Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
14969 | 1x6g RC | 10245 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -12.601 -14.156 15.177
2 HA2 GLY 1 1HA GLY 1 -13.009 -13.696 12.315
3 HA3 GLY 1 2HA GLY 1 -11.512 -13.551 13.214
4 H SER 2 H SER 2 -11.955 -15.037 10.708
5 HA SER 2 HA SER 2 -10.865 -17.523 11.628
6 HB2 SER 2 1HB SER 2 -13.525 -17.306 10.216
7 HB3 SER 2 2HB SER 2 -12.497 -18.681 9.865
8 HG SER 2 HG SER 2 -14.076 -18.222 12.063
9 H SER 3 H SER 3 -9.231 -18.175 10.232
10 HA SER 3 HA SER 3 -9.189 -16.796 7.661
11 HB2 SER 3 1HB SER 3 -7.283 -16.753 9.746
12 HB3 SER 3 2HB SER 3 -6.592 -17.829 8.548
13 HG SER 3 HG SER 3 -7.335 -15.953 6.997
14 H GLY 4 H GLY 4 -8.160 -18.036 5.847
15 HA2 GLY 4 1HA GLY 4 -8.958 -20.823 5.964
16 HA3 GLY 4 2HA GLY 4 -8.446 -19.909 4.559
17 H SER 5 H SER 5 -7.462 -22.037 7.158
18 HA SER 5 HA SER 5 -4.747 -21.916 6.097
19 HB2 SER 5 1HB SER 5 -5.084 -21.037 8.497
20 HB3 SER 5 2HB SER 5 -5.462 -22.686 8.954
21 HG SER 5 HG SER 5 -3.294 -23.203 7.854
22 H SER 6 H SER 6 -4.684 -23.703 4.745
23 HA SER 6 HA SER 6 -5.975 -26.112 5.694
24 HB2 SER 6 1HB SER 6 -5.457 -24.915 3.093
25 HB3 SER 6 2HB SER 6 -4.802 -26.540 3.132
26 HG SER 6 HG SER 6 -7.472 -25.679 3.165
27 H GLY 7 H GLY 7 -2.864 -25.218 4.012
28 HA2 GLY 7 1HA GLY 7 -1.392 -26.890 5.907
29 HA3 GLY 7 2HA GLY 7 -1.338 -27.348 4.216
30 H ARG 8 H ARG 8 -0.229 -26.032 2.673
31 HA ARG 8 HA ARG 8 1.110 -23.729 3.819
32 HB2 ARG 8 1HB ARG 8 2.394 -26.191 3.267
33 HB3 ARG 8 2HB ARG 8 2.809 -25.179 1.898
34 HG2 ARG 8 1HG ARG 8 4.498 -24.516 3.338
35 HG3 ARG 8 2HG ARG 8 3.275 -23.358 3.823
36 HD2 ARG 8 1HD ARG 8 3.437 -24.174 5.937
37 HD3 ARG 8 2HD ARG 8 2.701 -25.659 5.367
38 HE ARG 8 HE ARG 8 5.361 -25.959 4.648
39 HH11 ARG 8 2HH2 ARG 8 3.716 -25.223 7.670
40 HH12 ARG 8 1HH2 ARG 8 4.934 -25.956 8.660
41 HH21 ARG 8 2HH1 ARG 8 6.968 -26.927 5.953
42 HH22 ARG 8 1HH1 ARG 8 6.796 -26.932 7.677
43 H MET 9 H MET 9 1.609 -22.051 2.256
44 HA MET 9 HA MET 9 0.787 -22.604 -0.463
45 HB2 MET 9 1HB MET 9 -0.365 -20.471 1.401
46 HB3 MET 9 2HB MET 9 -0.449 -20.285 -0.340
47 HG2 MET 9 1HG MET 9 -1.637 -22.503 -0.498
48 HG3 MET 9 2HG MET 9 -1.593 -22.635 1.249
49 HE1 MET 9 1HE MET 9 -3.482 -21.202 -1.799
50 HE2 MET 9 2HE MET 9 -4.025 -22.620 -0.868
51 HE3 MET 9 3HE MET 9 -5.007 -21.135 -0.883
52 HA PRO 10 HA PRO 10 4.144 -19.989 -1.313
53 HB2 PRO 10 1HB PRO 10 3.606 -19.206 -3.876
54 HB3 PRO 10 2HB PRO 10 4.304 -20.763 -3.476
55 HG2 PRO 10 1HG PRO 10 1.539 -20.130 -4.308
56 HG3 PRO 10 2HG PRO 10 2.362 -21.678 -4.318
57 HD2 PRO 10 1HD PRO 10 0.408 -20.784 -2.417
58 HD3 PRO 10 2HD PRO 10 1.315 -22.283 -2.362
59 H THR 11 H THR 11 4.913 -17.776 -1.959
60 HA THR 11 HA THR 11 2.758 -15.844 -1.458
61 HB THR 11 HB THR 11 3.979 -16.325 0.681
62 HG1 THR 11 1HG THR 11 3.672 -14.142 0.844
63 HG21 THR 11 1HG2 THR 11 6.370 -15.307 0.738
64 HG22 THR 11 2HG2 THR 11 6.220 -16.927 0.014
65 HG23 THR 11 3HG2 THR 11 6.367 -15.494 -1.033
66 H ARG 12 H ARG 12 2.976 -13.831 -2.467
67 HA ARG 12 HA ARG 12 5.333 -13.507 -4.090
68 HB2 ARG 12 1HB ARG 12 3.061 -14.598 -5.242
69 HB3 ARG 12 2HB ARG 12 2.793 -12.891 -5.534
70 HG2 ARG 12 1HG ARG 12 5.347 -12.941 -6.323
71 HG3 ARG 12 2HG ARG 12 5.041 -14.654 -6.525
72 HD2 ARG 12 1HD ARG 12 3.051 -14.104 -7.974
73 HD3 ARG 12 2HD ARG 12 3.420 -12.399 -7.806
74 HE ARG 12 HE ARG 12 4.843 -14.335 -9.475
75 HH11 ARG 12 2HH2 ARG 12 5.105 -11.255 -7.794
76 HH12 ARG 12 1HH2 ARG 12 6.387 -10.669 -8.800
77 HH21 ARG 12 2HH1 ARG 12 6.535 -13.563 -10.803
78 HH22 ARG 12 1HH1 ARG 12 7.206 -11.991 -10.523
79 H ARG 13 H ARG 13 1.997 -12.173 -3.467
80 HA ARG 13 HA ARG 13 2.896 -9.531 -3.811
81 HB2 ARG 13 1HB ARG 13 0.333 -10.659 -2.578
82 HB3 ARG 13 2HB ARG 13 0.584 -8.957 -2.908
83 HG2 ARG 13 1HG ARG 13 0.735 -11.154 -5.025
84 HG3 ARG 13 2HG ARG 13 -0.684 -10.169 -4.729
85 HD2 ARG 13 1HD ARG 13 1.217 -8.201 -5.011
86 HD3 ARG 13 2HD ARG 13 1.893 -9.433 -6.058
87 HE ARG 13 HE ARG 13 -0.915 -9.187 -6.603
88 HH11 ARG 13 2HH2 ARG 13 2.107 -7.439 -7.047
89 HH12 ARG 13 1HH2 ARG 13 1.563 -6.602 -8.462
90 HH21 ARG 13 2HH1 ARG 13 -1.633 -8.082 -8.470
91 HH22 ARG 13 1HH1 ARG 13 -0.579 -6.970 -9.277
92 H TRP 14 H TRP 14 2.222 -7.862 -1.898
93 HA TRP 14 HA TRP 14 3.910 -8.570 0.302
94 HB2 TRP 14 1HB TRP 14 2.263 -6.104 -0.284
95 HB3 TRP 14 2HB TRP 14 3.341 -6.278 1.087
96 HD1 TRP 14 HD TRP 14 5.989 -7.324 -0.107
97 HE1 TRP 14 1HE TRP 14 7.457 -6.042 -1.885
98 HE3 TRP 14 3HE TRP 14 2.226 -4.397 -1.877
99 HZ2 TRP 14 2HZ TRP 14 6.892 -3.993 -3.791
100 HZ3 TRP 14 3HZ TRP 14 2.770 -2.782 -3.697
101 HH2 TRP 14 HH TRP 14 5.009 -2.554 -4.650
102 H ALA 15 H ALA 15 3.175 -8.514 2.586
103 HA ALA 15 HA ALA 15 0.414 -9.493 2.786
104 HB1 ALA 15 1HB ALA 15 2.869 -10.582 3.626
105 HB2 ALA 15 2HB ALA 15 2.113 -9.955 5.110
106 HB3 ALA 15 3HB ALA 15 1.240 -11.127 4.094
107 HA PRO 16 HA PRO 16 -0.570 -6.267 5.504
108 HB2 PRO 16 1HB PRO 16 -1.925 -7.416 7.581
109 HB3 PRO 16 2HB PRO 16 -2.648 -7.119 6.013
110 HG2 PRO 16 1HG PRO 16 -1.731 -9.677 7.178
111 HG3 PRO 16 2HG PRO 16 -2.819 -9.412 5.830
112 HD2 PRO 16 1HD PRO 16 -0.067 -10.208 5.683
113 HD3 PRO 16 2HD PRO 16 -1.123 -9.830 4.336
114 H GLY 17 H GLY 17 0.856 -4.966 6.452
115 HA2 GLY 17 1HA GLY 17 1.693 -4.490 8.711
116 HA3 GLY 17 2HA GLY 17 2.244 -6.152 8.782
117 H THR 18 H THR 18 2.643 -5.345 5.579
118 HA THR 18 HA THR 18 5.473 -4.811 6.005
119 HB THR 18 HB THR 18 3.752 -5.613 3.605
120 HG1 THR 18 1HG THR 18 5.929 -6.810 5.171
121 HG21 THR 18 1HG2 THR 18 6.501 -6.156 3.137
122 HG22 THR 18 2HG2 THR 18 5.493 -4.974 2.267
123 HG23 THR 18 3HG2 THR 18 6.448 -4.462 3.679
124 H GLN 19 H GLN 19 6.537 -2.952 5.534
125 HA GLN 19 HA GLN 19 4.849 -0.688 5.093
126 HB2 GLN 19 1HB GLN 19 7.805 -1.054 5.685
127 HB3 GLN 19 2HB GLN 19 7.155 0.519 5.269
128 HG2 GLN 19 1HG GLN 19 5.569 0.414 7.162
129 HG3 GLN 19 2HG GLN 19 6.081 -1.219 7.540
130 HE21 GLN 19 1HE2 GLN 19 6.145 0.833 9.380
131 HE22 GLN 19 2HE2 GLN 19 7.780 1.213 9.808
132 H CYS 20 H CYS 20 4.345 0.099 3.099
133 HA CYS 20 HA CYS 20 6.182 -0.594 0.926
134 HB2 CYS 20 1HB CYS 20 3.211 0.021 0.779
135 HB3 CYS 20 2HB CYS 20 4.246 -0.341 -0.589
136 HG CYS 20 HG CYS 20 4.325 -2.312 2.022
137 H ILE 21 H ILE 21 6.540 1.128 -0.715
138 HA ILE 21 HA ILE 21 6.082 3.799 0.424
139 HB ILE 21 HB ILE 21 8.400 3.031 -1.334
140 HG12 ILE 21 1HG1 ILE 21 8.671 1.597 0.536
141 HG13 ILE 21 2HG1 ILE 21 9.749 2.957 0.784
142 HG21 ILE 21 1HG2 ILE 21 8.168 5.304 0.642
143 HG22 ILE 21 2HG2 ILE 21 9.360 5.078 -0.660
144 HG23 ILE 21 3HG2 ILE 21 7.665 5.446 -1.059
145 HD11 ILE 21 1HD1 ILE 21 8.786 3.169 2.831
146 HD12 ILE 21 2HD1 ILE 21 7.365 3.819 1.978
147 HD13 ILE 21 3HD1 ILE 21 7.442 2.089 2.389
148 H THR 22 H THR 22 5.634 5.519 -1.095
149 HA THR 22 HA THR 22 4.114 4.543 -3.350
150 HB THR 22 HB THR 22 3.448 6.971 -3.454
151 HG1 THR 22 1HG THR 22 4.559 8.364 -1.978
152 HG21 THR 22 1HG2 THR 22 1.999 6.056 -1.867
153 HG22 THR 22 2HG2 THR 22 3.331 5.401 -0.885
154 HG23 THR 22 3HG2 THR 22 2.926 7.132 -0.795
155 H LYS 23 H LYS 23 4.479 4.930 -5.529
156 HA LYS 23 HA LYS 23 7.263 5.296 -6.163
157 HB2 LYS 23 1HB LYS 23 4.869 4.170 -7.455
158 HB3 LYS 23 2HB LYS 23 5.918 5.043 -8.553
159 HG2 LYS 23 1HG LYS 23 7.856 3.694 -7.871
160 HG3 LYS 23 2HG LYS 23 6.924 2.914 -6.609
161 HD2 LYS 23 1HD LYS 23 5.903 2.754 -9.448
162 HD3 LYS 23 2HD LYS 23 7.270 1.753 -9.000
163 HE2 LYS 23 1HE LYS 23 5.749 1.122 -6.902
164 HE3 LYS 23 2HE LYS 23 4.441 1.684 -7.924
165 HZ1 LYS 23 1HZ LYS 23 5.340 -0.760 -8.017
166 HZ2 LYS 23 2HZ LYS 23 4.725 -0.021 -9.337
167 HZ3 LYS 23 3HZ LYS 23 6.342 -0.118 -9.136
168 H CYS 24 H CYS 24 4.193 7.095 -6.325
169 HA CYS 24 HA CYS 24 5.759 9.404 -7.176
170 HB2 CYS 24 1HB CYS 24 3.197 8.425 -8.451
171 HB3 CYS 24 2HB CYS 24 3.695 10.102 -8.548
172 HG CYS 24 HG CYS 24 5.828 9.845 -9.812
173 H GLU 25 H GLU 25 4.073 11.441 -6.902
174 HA GLU 25 HA GLU 25 3.039 11.074 -4.214
175 HB2 GLU 25 1HB GLU 25 3.313 13.450 -3.918
176 HB3 GLU 25 2HB GLU 25 4.778 12.856 -4.673
177 HG2 GLU 25 1HG GLU 25 3.180 13.452 -6.880
178 HG3 GLU 25 2HG GLU 25 2.723 14.706 -5.744
179 H HIS 26 H HIS 26 0.874 11.516 -3.682
180 HA HIS 26 HA HIS 26 -0.812 12.304 -5.943
181 HB2 HIS 26 1HB HIS 26 -0.751 9.776 -4.998
182 HB3 HIS 26 2HB HIS 26 -1.938 10.455 -3.903
183 HD1 HIS 26 1HD HIS 26 -1.636 11.481 -7.556
184 HD2 HIS 26 2HD HIS 26 -4.173 9.269 -5.052
185 HE1 HIS 26 1HE HIS 26 -3.710 10.936 -8.939
186 H THR 27 H THR 27 -1.427 14.363 -5.464
187 HA THR 27 HA THR 27 -1.941 15.028 -2.666
188 HB THR 27 HB THR 27 -1.613 17.284 -3.385
189 HG1 THR 27 1HG THR 27 -2.142 16.087 -6.014
190 HG21 THR 27 1HG2 THR 27 0.470 17.278 -4.453
191 HG22 THR 27 2HG2 THR 27 0.395 15.565 -3.975
192 HG23 THR 27 3HG2 THR 27 -0.030 16.046 -5.635
193 H ARG 28 H ARG 28 -3.594 14.325 -5.693
194 HA ARG 28 HA ARG 28 -6.063 14.834 -4.255
195 HB2 ARG 28 1HB ARG 28 -5.346 15.667 -7.096
196 HB3 ARG 28 2HB ARG 28 -7.019 15.457 -6.619
197 HG2 ARG 28 1HG ARG 28 -5.525 17.056 -4.650
198 HG3 ARG 28 2HG ARG 28 -5.448 17.768 -6.249
199 HD2 ARG 28 1HD ARG 28 -8.164 16.855 -5.761
200 HD3 ARG 28 2HD ARG 28 -7.643 17.831 -4.403
201 HE ARG 28 HE ARG 28 -6.922 19.073 -6.929
202 HH11 ARG 28 2HH2 ARG 28 -9.601 18.571 -4.704
203 HH12 ARG 28 1HH2 ARG 28 -10.452 19.994 -5.207
204 HH21 ARG 28 2HH1 ARG 28 -8.044 20.950 -7.593
205 HH22 ARG 28 1HH1 ARG 28 -9.561 21.355 -6.861
206 HA PRO 29 HA PRO 29 -6.130 10.632 -5.833
207 HB2 PRO 29 1HB PRO 29 -7.468 9.520 -3.725
208 HB3 PRO 29 2HB PRO 29 -5.720 9.618 -3.807
209 HG2 PRO 29 1HG PRO 29 -7.593 11.235 -2.190
210 HG3 PRO 29 2HG PRO 29 -5.866 11.019 -1.981
211 HD2 PRO 29 1HD PRO 29 -7.188 13.311 -3.091
212 HD3 PRO 29 2HD PRO 29 -5.459 13.045 -2.989
213 H LYS 30 H LYS 30 -7.982 8.958 -6.130
214 HA LYS 30 HA LYS 30 -9.942 10.339 -7.580
215 HB2 LYS 30 1HB LYS 30 -9.084 7.637 -7.173
216 HB3 LYS 30 2HB LYS 30 -10.822 7.695 -6.960
217 HG2 LYS 30 1HG LYS 30 -10.526 9.310 -9.179
218 HG3 LYS 30 2HG LYS 30 -9.195 8.195 -9.410
219 HD2 LYS 30 1HD LYS 30 -11.375 6.565 -8.610
220 HD3 LYS 30 2HD LYS 30 -12.070 7.729 -9.720
221 HE2 LYS 30 1HE LYS 30 -9.471 6.655 -10.654
222 HE3 LYS 30 2HE LYS 30 -10.688 5.412 -10.449
223 HZ1 LYS 30 1HZ LYS 30 -11.032 6.202 -12.565
224 HZ2 LYS 30 2HZ LYS 30 -12.170 7.014 -11.720
225 HZ3 LYS 30 3HZ LYS 30 -10.792 7.768 -12.168
226 HA PRO 31 HA PRO 31 -13.127 10.913 -4.710
227 HB2 PRO 31 1HB PRO 31 -15.414 9.972 -5.872
228 HB3 PRO 31 2HB PRO 31 -14.685 11.507 -6.297
229 HG2 PRO 31 1HG PRO 31 -14.670 8.967 -7.809
230 HG3 PRO 31 2HG PRO 31 -14.333 10.588 -8.383
231 HD2 PRO 31 1HD PRO 31 -12.413 8.535 -7.816
232 HD3 PRO 31 2HD PRO 31 -12.071 10.190 -8.278
233 H GLY 32 H GLY 32 -12.386 9.763 -2.925
234 HA2 GLY 32 1HA GLY 32 -13.496 8.369 -1.287
235 HA3 GLY 32 2HA GLY 32 -13.891 7.241 -2.569
236 H GLU 33 H GLU 33 -10.744 8.849 -2.653
237 HA GLU 33 HA GLU 33 -9.564 6.350 -1.716
238 HB2 GLU 33 1HB GLU 33 -8.886 8.110 -4.074
239 HB3 GLU 33 2HB GLU 33 -7.598 7.209 -3.299
240 HG2 GLU 33 1HG GLU 33 -8.925 5.092 -3.593
241 HG3 GLU 33 2HG GLU 33 -10.181 6.005 -4.405
242 H LEU 34 H LEU 34 -7.106 6.760 -1.072
243 HA LEU 34 HA LEU 34 -7.177 9.046 0.738
244 HB2 LEU 34 1HB LEU 34 -6.724 7.216 2.007
245 HB3 LEU 34 2HB LEU 34 -5.887 6.373 0.719
246 HG LEU 34 HG LEU 34 -4.036 8.184 1.057
247 HD11 LEU 34 1HD1 LEU 34 -3.999 9.457 2.928
248 HD12 LEU 34 2HD1 LEU 34 -5.766 9.309 2.772
249 HD13 LEU 34 3HD1 LEU 34 -4.881 8.258 3.904
250 HD21 LEU 34 1HD2 LEU 34 -3.699 6.585 3.390
251 HD22 LEU 34 2HD2 LEU 34 -4.519 5.599 2.155
252 HD23 LEU 34 3HD2 LEU 34 -2.967 6.384 1.780
253 H ALA 35 H ALA 35 -5.226 10.399 0.986
254 HA ALA 35 HA ALA 35 -3.871 10.666 -1.606
255 HB1 ALA 35 1HB ALA 35 -4.009 12.945 -1.364
256 HB2 ALA 35 2HB ALA 35 -5.424 12.498 -0.382
257 HB3 ALA 35 3HB ALA 35 -3.875 12.874 0.410
258 H PHE 36 H PHE 36 -1.572 11.198 -1.585
259 HA PHE 36 HA PHE 36 -0.145 11.097 0.871
260 HB2 PHE 36 1HB PHE 36 1.044 8.940 0.256
261 HB3 PHE 36 2HB PHE 36 -0.661 8.679 0.564
262 HD1 PHE 36 1HD PHE 36 -2.184 8.121 -1.250
263 HD2 PHE 36 2HD PHE 36 1.946 8.748 -1.995
264 HE1 PHE 36 1HE PHE 36 -2.428 7.051 -3.508
265 HE2 PHE 36 2HE PHE 36 1.702 7.678 -4.252
266 HZ PHE 36 HZ PHE 36 -0.482 6.842 -4.982
267 H ARG 37 H ARG 37 2.314 11.060 0.413
268 HA ARG 37 HA ARG 37 2.691 12.515 -2.073
269 HB2 ARG 37 1HB ARG 37 4.105 12.589 0.620
270 HB3 ARG 37 2HB ARG 37 4.900 13.222 -0.808
271 HG2 ARG 37 1HG ARG 37 2.094 14.097 -0.001
272 HG3 ARG 37 2HG ARG 37 3.529 14.899 0.609
273 HD2 ARG 37 1HD ARG 37 4.178 14.982 -2.001
274 HD3 ARG 37 2HD ARG 37 2.444 14.832 -2.209
275 HE ARG 37 HE ARG 37 3.019 16.854 -0.233
276 HH11 ARG 37 2HH2 ARG 37 3.113 16.286 -3.705
277 HH12 ARG 37 1HH2 ARG 37 2.931 17.960 -4.113
278 HH21 ARG 37 2HH1 ARG 37 2.779 19.062 -0.771
279 HH22 ARG 37 1HH1 ARG 37 2.739 19.550 -2.432
280 H LYS 38 H LYS 38 5.255 12.336 -2.735
281 HA LYS 38 HA LYS 38 5.611 9.562 -3.336
282 HB2 LYS 38 1HB LYS 38 6.034 11.333 -4.989
283 HB3 LYS 38 2HB LYS 38 7.311 11.989 -3.985
284 HG2 LYS 38 1HG LYS 38 8.212 9.449 -4.098
285 HG3 LYS 38 2HG LYS 38 7.270 9.429 -5.575
286 HD2 LYS 38 1HD LYS 38 8.961 11.856 -5.251
287 HD3 LYS 38 2HD LYS 38 9.871 10.363 -5.367
288 HE2 LYS 38 1HE LYS 38 8.039 9.977 -7.386
289 HE3 LYS 38 2HE LYS 38 8.187 11.723 -7.428
290 HZ1 LYS 38 1HZ LYS 38 10.218 9.714 -7.925
291 HZ2 LYS 38 2HZ LYS 38 9.907 11.098 -8.735
292 HZ3 LYS 38 3HZ LYS 38 10.698 11.148 -7.307
293 H GLY 39 H GLY 39 6.742 8.088 -2.187
294 HA2 GLY 39 1HA GLY 39 8.452 7.277 -0.907
295 HA3 GLY 39 2HA GLY 39 9.049 8.903 -0.639
296 H ASP 40 H ASP 40 5.754 7.495 -0.060
297 HA ASP 40 HA ASP 40 6.002 8.477 2.659
298 HB2 ASP 40 1HB ASP 40 3.819 8.216 0.696
299 HB3 ASP 40 2HB ASP 40 3.371 7.545 2.252
300 H VAL 41 H VAL 41 5.615 7.017 4.450
301 HA VAL 41 HA VAL 41 5.842 4.205 3.719
302 HB VAL 41 HB VAL 41 6.302 5.767 6.261
303 HG11 VAL 41 1HG1 VAL 41 6.056 2.810 5.817
304 HG12 VAL 41 2HG1 VAL 41 7.262 3.413 6.980
305 HG13 VAL 41 3HG1 VAL 41 5.539 3.804 7.199
306 HG21 VAL 41 1HG2 VAL 41 8.636 4.720 5.906
307 HG22 VAL 41 2HG2 VAL 41 8.083 4.393 4.246
308 HG23 VAL 41 3HG2 VAL 41 8.151 6.066 4.848
309 H VAL 42 H VAL 42 4.180 2.780 3.931
310 HA VAL 42 HA VAL 42 1.962 3.550 5.667
311 HB VAL 42 HB VAL 42 0.368 2.864 3.906
312 HG11 VAL 42 1HG1 VAL 42 0.266 4.961 2.894
313 HG12 VAL 42 2HG1 VAL 42 1.214 5.281 4.365
314 HG13 VAL 42 3HG1 VAL 42 2.036 5.115 2.795
315 HG21 VAL 42 1HG2 VAL 42 2.874 2.303 2.454
316 HG22 VAL 42 2HG2 VAL 42 1.241 1.628 2.237
317 HG23 VAL 42 3HG2 VAL 42 1.658 3.198 1.510
318 H THR 43 H THR 43 0.662 1.702 6.363
319 HA THR 43 HA THR 43 2.199 -0.801 6.145
320 HB THR 43 HB THR 43 0.421 0.381 8.338
321 HG1 THR 43 1HG THR 43 2.787 0.969 7.920
322 HG21 THR 43 1HG2 THR 43 0.082 -2.072 8.326
323 HG22 THR 43 2HG2 THR 43 1.834 -2.332 8.157
324 HG23 THR 43 3HG2 THR 43 1.179 -1.637 9.658
325 H ILE 44 H ILE 44 1.316 -2.556 5.223
326 HA ILE 44 HA ILE 44 -1.096 -2.289 3.822
327 HB ILE 44 HB ILE 44 0.552 -4.720 4.523
328 HG12 ILE 44 1HG1 ILE 44 1.669 -2.865 3.222
329 HG13 ILE 44 2HG1 ILE 44 1.650 -4.439 2.453
330 HG21 ILE 44 1HG2 ILE 44 -0.973 -6.010 3.563
331 HG22 ILE 44 2HG2 ILE 44 -2.057 -4.604 3.434
332 HG23 ILE 44 3HG2 ILE 44 -0.951 -5.000 2.097
333 HD11 ILE 44 1HD1 ILE 44 0.566 -3.579 0.664
334 HD12 ILE 44 2HD1 ILE 44 -0.772 -3.047 1.711
335 HD13 ILE 44 3HD1 ILE 44 0.619 -1.973 1.430
336 H LEU 45 H LEU 45 -2.954 -1.868 4.949
337 HA LEU 45 HA LEU 45 -3.466 -2.962 7.490
338 HB2 LEU 45 1HB LEU 45 -5.284 -1.681 5.447
339 HB3 LEU 45 2HB LEU 45 -5.761 -2.088 7.083
340 HG LEU 45 HG LEU 45 -3.503 -0.184 6.409
341 HD11 LEU 45 1HD1 LEU 45 -4.910 1.581 6.345
342 HD12 LEU 45 2HD1 LEU 45 -6.074 0.346 5.808
343 HD13 LEU 45 3HD1 LEU 45 -6.048 0.865 7.511
344 HD21 LEU 45 1HD2 LEU 45 -4.046 -1.503 8.778
345 HD22 LEU 45 2HD2 LEU 45 -3.086 -0.015 8.592
346 HD23 LEU 45 3HD2 LEU 45 -4.815 0.087 9.003
347 H GLU 46 H GLU 46 -4.638 -3.793 4.163
348 HA GLU 46 HA GLU 46 -5.039 -6.480 5.153
349 HB2 GLU 46 1HB GLU 46 -7.193 -4.629 4.462
350 HB3 GLU 46 2HB GLU 46 -7.230 -6.033 3.414
351 HG2 GLU 46 1HG GLU 46 -7.923 -7.406 5.097
352 HG3 GLU 46 2HG GLU 46 -6.709 -6.798 6.205
353 H ALA 47 H ALA 47 -5.916 -7.817 2.980
354 HA ALA 47 HA ALA 47 -3.772 -7.349 1.082
355 HB1 ALA 47 1HB ALA 47 -3.831 -9.592 0.832
356 HB2 ALA 47 2HB ALA 47 -4.932 -9.607 2.231
357 HB3 ALA 47 3HB ALA 47 -5.593 -9.596 0.578
358 H CYS 48 H CYS 48 -4.095 -6.982 -1.160
359 HA CYS 48 HA CYS 48 -5.991 -5.223 -1.880
360 HB2 CYS 48 1HB CYS 48 -5.495 -5.776 -4.206
361 HB3 CYS 48 2HB CYS 48 -4.027 -5.750 -3.250
362 HG CYS 48 HG CYS 48 -3.626 -8.211 -3.025
363 H GLU 49 H GLU 49 -8.062 -5.360 -2.999
364 HA GLU 49 HA GLU 49 -9.239 -7.853 -3.513
365 HB2 GLU 49 1HB GLU 49 -9.362 -7.177 -0.820
366 HB3 GLU 49 2HB GLU 49 -10.890 -6.563 -1.419
367 HG2 GLU 49 1HG GLU 49 -11.695 -8.681 -1.317
368 HG3 GLU 49 2HG GLU 49 -10.644 -9.084 -2.660
369 H ASN 50 H ASN 50 -8.698 -5.357 -4.886
370 HA ASN 50 HA ASN 50 -11.432 -4.734 -5.586
371 HB2 ASN 50 1HB ASN 50 -9.434 -2.840 -4.424
372 HB3 ASN 50 2HB ASN 50 -10.214 -2.252 -5.879
373 HD21 ASN 50 1HD2 ASN 50 -10.651 -0.889 -3.654
374 HD22 ASN 50 2HD2 ASN 50 -12.248 -1.122 -3.027
375 H LYS 51 H LYS 51 -8.872 -6.211 -6.597
376 HA LYS 51 HA LYS 51 -7.873 -6.585 -8.529
377 HB2 LYS 51 1HB LYS 51 -9.985 -4.713 -9.638
378 HB3 LYS 51 2HB LYS 51 -8.888 -5.661 -10.622
379 HG2 LYS 51 1HG LYS 51 -10.184 -7.318 -8.565
380 HG3 LYS 51 2HG LYS 51 -11.369 -6.509 -9.572
381 HD2 LYS 51 1HD LYS 51 -10.365 -7.423 -11.610
382 HD3 LYS 51 2HD LYS 51 -9.004 -8.066 -10.712
383 HE2 LYS 51 1HE LYS 51 -10.982 -9.302 -9.338
384 HE3 LYS 51 2HE LYS 51 -11.839 -9.075 -10.850
385 HZ1 LYS 51 1HZ LYS 51 -10.781 -10.983 -11.308
386 HZ2 LYS 51 2HZ LYS 51 -9.567 -9.990 -11.763
387 HZ3 LYS 51 3HZ LYS 51 -9.528 -10.708 -10.297
388 H SER 52 H SER 52 -5.847 -5.784 -7.956
389 HA SER 52 HA SER 52 -4.098 -4.506 -8.073
390 HB2 SER 52 1HB SER 52 -5.561 -2.794 -10.126
391 HB3 SER 52 2HB SER 52 -3.826 -2.929 -9.917
392 HG SER 52 HG SER 52 -4.803 -4.236 -11.701
393 H TRP 53 H TRP 53 -5.289 -3.965 -5.833
394 HA TRP 53 HA TRP 53 -4.897 -1.178 -5.427
395 HB2 TRP 53 1HB TRP 53 -7.689 -2.245 -5.582
396 HB3 TRP 53 2HB TRP 53 -7.308 -1.012 -4.396
397 HD1 TRP 53 HD TRP 53 -7.957 -1.427 -8.106
398 HE1 TRP 53 1HE TRP 53 -7.902 0.876 -9.392
399 HE3 TRP 53 3HE TRP 53 -6.030 1.276 -4.255
400 HZ2 TRP 53 2HZ TRP 53 -7.076 3.511 -8.671
401 HZ3 TRP 53 3HZ TRP 53 -5.629 3.708 -4.629
402 HH2 TRP 53 HH TRP 53 -6.120 4.828 -6.745
403 H TYR 54 H TYR 54 -4.152 -0.953 -3.332
404 HA TYR 54 HA TYR 54 -4.704 -3.204 -1.518
405 HB2 TYR 54 1HB TYR 54 -2.235 -1.578 -2.289
406 HB3 TYR 54 2HB TYR 54 -2.310 -2.247 -0.672
407 HD1 TYR 54 1HD TYR 54 -2.340 -4.716 -0.334
408 HD2 TYR 54 2HD TYR 54 -1.829 -2.980 -4.211
409 HE1 TYR 54 1HE TYR 54 -1.464 -6.932 -1.219
410 HE2 TYR 54 2HE TYR 54 -0.955 -5.202 -5.083
411 HH TYR 54 HH TYR 54 -1.457 -7.996 -3.716
412 H ARG 55 H ARG 55 -4.929 -2.700 0.729
413 HA ARG 55 HA ARG 55 -5.599 0.098 1.110
414 HB2 ARG 55 1HB ARG 55 -7.381 -1.662 1.517
415 HB3 ARG 55 2HB ARG 55 -6.391 -2.327 2.801
416 HG2 ARG 55 1HG ARG 55 -6.418 0.059 3.837
417 HG3 ARG 55 2HG ARG 55 -7.696 0.423 2.695
418 HD2 ARG 55 1HD ARG 55 -8.745 -1.859 3.665
419 HD3 ARG 55 2HD ARG 55 -7.732 -1.476 5.042
420 HE ARG 55 HE ARG 55 -8.967 0.923 4.612
421 HH11 ARG 55 2HH2 ARG 55 -10.239 -2.351 4.819
422 HH12 ARG 55 1HH2 ARG 55 -11.780 -1.850 5.434
423 HH21 ARG 55 2HH1 ARG 55 -10.998 1.585 5.422
424 HH22 ARG 55 1HH1 ARG 55 -12.214 0.404 5.779
425 H VAL 56 H VAL 56 -3.982 1.261 2.109
426 HA VAL 56 HA VAL 56 -2.469 -0.129 4.212
427 HB VAL 56 HB VAL 56 -0.530 1.083 3.584
428 HG11 VAL 56 1HG1 VAL 56 -1.662 0.262 0.909
429 HG12 VAL 56 2HG1 VAL 56 -0.007 0.072 1.537
430 HG13 VAL 56 3HG1 VAL 56 -1.324 -0.940 2.178
431 HG21 VAL 56 1HG2 VAL 56 -1.504 3.241 3.056
432 HG22 VAL 56 2HG2 VAL 56 -0.505 2.691 1.689
433 HG23 VAL 56 3HG2 VAL 56 -2.278 2.573 1.599
434 H LYS 57 H LYS 57 -1.345 1.717 5.663
435 HA LYS 57 HA LYS 57 -3.424 3.722 6.192
436 HB2 LYS 57 1HB LYS 57 -3.502 1.816 7.800
437 HB3 LYS 57 2HB LYS 57 -1.853 2.173 8.272
438 HG2 LYS 57 1HG LYS 57 -2.853 4.650 8.608
439 HG3 LYS 57 2HG LYS 57 -4.361 3.772 8.774
440 HD2 LYS 57 1HD LYS 57 -3.338 2.350 10.562
441 HD3 LYS 57 2HD LYS 57 -1.828 3.223 10.394
442 HE2 LYS 57 1HE LYS 57 -2.590 4.743 11.895
443 HE3 LYS 57 2HE LYS 57 -3.802 5.239 10.730
444 HZ1 LYS 57 1HZ LYS 57 -4.492 4.319 13.019
445 HZ2 LYS 57 2HZ LYS 57 -5.364 3.922 11.696
446 HZ3 LYS 57 3HZ LYS 57 -4.296 2.856 12.320
447 H HIS 58 H HIS 58 -2.706 5.791 6.193
448 HA HIS 58 HA HIS 58 0.060 6.233 5.689
449 HB2 HIS 58 1HB HIS 58 -2.093 7.487 4.833
450 HB3 HIS 58 2HB HIS 58 -1.900 8.424 6.302
451 HD2 HIS 58 2HD HIS 58 -0.543 8.344 2.737
452 HE1 HIS 58 1HE HIS 58 2.121 10.820 4.946
453 HE2 HIS 58 2HE HIS 58 1.413 9.972 2.606
454 H HIS 59 H HIS 59 1.643 6.476 7.180
455 HA HIS 59 HA HIS 59 1.089 6.358 9.903
456 HB2 HIS 59 1HB HIS 59 3.197 5.658 8.739
457 HB3 HIS 59 2HB HIS 59 3.619 7.350 8.564
458 HD1 HIS 59 1HD HIS 59 2.940 4.791 11.321
459 HD2 HIS 59 2HD HIS 59 4.903 8.452 10.739
460 HE1 HIS 59 1HE HIS 59 4.228 5.261 13.473
461 H THR 60 H THR 60 2.633 9.136 8.132
462 HA THR 60 HA THR 60 2.366 11.007 10.095
463 HB THR 60 HB THR 60 2.179 11.246 7.048
464 HG1 THR 60 1HG THR 60 4.494 11.750 7.520
465 HG21 THR 60 1HG2 THR 60 2.510 13.317 9.255
466 HG22 THR 60 2HG2 THR 60 3.298 13.549 7.676
467 HG23 THR 60 3HG2 THR 60 1.526 13.423 7.776
468 H SER 61 H SER 61 -0.020 10.548 7.395
469 HA SER 61 HA SER 61 -1.847 12.303 8.472
470 HB2 SER 61 1HB SER 61 -1.692 10.456 6.263
471 HB3 SER 61 2HB SER 61 -3.240 10.221 7.050
472 HG SER 61 HG SER 61 -2.534 12.199 5.369
473 H GLY 62 H GLY 62 -2.337 8.702 8.273
474 HA2 GLY 62 1HA GLY 62 -2.637 7.407 10.277
475 HA3 GLY 62 2HA GLY 62 -3.414 8.789 11.024
476 H GLN 63 H GLN 63 -4.192 8.442 7.659
477 HA GLN 63 HA GLN 63 -6.823 7.537 8.448
478 HB2 GLN 63 1HB GLN 63 -6.024 8.498 5.681
479 HB3 GLN 63 2HB GLN 63 -7.619 8.497 6.408
480 HG2 GLN 63 1HG GLN 63 -7.004 10.264 7.966
481 HG3 GLN 63 2HG GLN 63 -5.309 10.138 7.538
482 HE21 GLN 63 1HE2 GLN 63 -4.526 11.407 6.025
483 HE22 GLN 63 2HE2 GLN 63 -5.431 12.354 4.891
484 H GLU 64 H GLU 64 -7.885 6.262 6.322
485 HA GLU 64 HA GLU 64 -5.961 4.244 5.526
486 HB2 GLU 64 1HB GLU 64 -8.683 3.583 6.735
487 HB3 GLU 64 2HB GLU 64 -7.529 2.421 6.113
488 HG2 GLU 64 1HG GLU 64 -5.955 2.860 7.864
489 HG3 GLU 64 2HG GLU 64 -6.728 4.371 8.302
490 H GLY 65 H GLY 65 -6.027 4.159 3.326
491 HA2 GLY 65 1HA GLY 65 -8.655 4.239 2.016
492 HA3 GLY 65 2HA GLY 65 -7.438 5.406 1.540
493 H LEU 66 H LEU 66 -8.257 3.817 -0.469
494 HA LEU 66 HA LEU 66 -6.653 1.427 -0.585
495 HB2 LEU 66 1HB LEU 66 -8.490 2.768 -2.572
496 HB3 LEU 66 2HB LEU 66 -7.646 1.261 -2.869
497 HG LEU 66 HG LEU 66 -9.533 1.609 -0.534
498 HD11 LEU 66 1HD1 LEU 66 -11.130 0.285 -2.107
499 HD12 LEU 66 2HD1 LEU 66 -11.009 2.055 -2.255
500 HD13 LEU 66 3HD1 LEU 66 -10.152 1.005 -3.409
501 HD21 LEU 66 1HD2 LEU 66 -8.050 -0.272 -0.313
502 HD22 LEU 66 2HD2 LEU 66 -9.681 -0.866 -0.705
503 HD23 LEU 66 3HD2 LEU 66 -8.425 -0.820 -1.965
504 H LEU 67 H LEU 67 -5.033 1.042 -2.283
505 HA LEU 67 HA LEU 67 -3.861 3.498 -3.344
506 HB2 LEU 67 1HB LEU 67 -2.845 2.119 -1.115
507 HB3 LEU 67 2HB LEU 67 -1.809 1.673 -2.457
508 HG LEU 67 HG LEU 67 -2.468 4.554 -1.823
509 HD11 LEU 67 1HD1 LEU 67 -1.326 4.341 0.079
510 HD12 LEU 67 2HD1 LEU 67 -0.753 2.710 -0.345
511 HD13 LEU 67 3HD1 LEU 67 0.120 4.142 -0.940
512 HD21 LEU 67 1HD2 LEU 67 -1.562 4.620 -3.914
513 HD22 LEU 67 2HD2 LEU 67 -0.067 4.668 -2.949
514 HD23 LEU 67 3HD2 LEU 67 -0.607 3.136 -3.676
515 H ALA 68 H ALA 68 -2.664 3.193 -5.298
516 HA ALA 68 HA ALA 68 -3.649 1.050 -6.865
517 HB1 ALA 68 1HB ALA 68 -2.157 3.540 -7.194
518 HB2 ALA 68 2HB ALA 68 -1.497 2.240 -8.214
519 HB3 ALA 68 3HB ALA 68 -3.214 2.690 -8.346
520 H ALA 69 H ALA 69 -2.919 -1.011 -6.898
521 HA ALA 69 HA ALA 69 -0.721 -1.860 -5.441
522 HB1 ALA 69 1HB ALA 69 -1.059 -3.987 -6.668
523 HB2 ALA 69 2HB ALA 69 -2.602 -3.295 -6.115
524 HB3 ALA 69 3HB ALA 69 -2.121 -3.145 -7.822
525 H GLY 70 H GLY 70 -0.951 -0.335 -8.585
526 HA2 GLY 70 1HA GLY 70 1.772 -1.199 -9.291
527 HA3 GLY 70 2HA GLY 70 0.591 -0.472 -10.361
528 H ALA 71 H ALA 71 1.209 0.717 -7.041
529 HA ALA 71 HA ALA 71 2.838 2.887 -8.088
530 HB1 ALA 71 1HB ALA 71 1.117 4.300 -6.507
531 HB2 ALA 71 2HB ALA 71 0.960 4.163 -8.275
532 HB3 ALA 71 3HB ALA 71 0.007 3.100 -7.212
533 H LEU 72 H LEU 72 2.898 0.384 -6.234
534 HA LEU 72 HA LEU 72 3.954 1.837 -3.911
535 HB2 LEU 72 1HB LEU 72 2.506 -0.814 -3.931
536 HB3 LEU 72 2HB LEU 72 3.293 -0.100 -2.538
537 HG LEU 72 HG LEU 72 1.163 1.461 -3.964
538 HD11 LEU 72 1HD1 LEU 72 0.589 -1.095 -3.256
539 HD12 LEU 72 2HD1 LEU 72 0.217 -0.238 -1.740
540 HD13 LEU 72 3HD1 LEU 72 -0.588 0.241 -3.254
541 HD21 LEU 72 1HD2 LEU 72 0.848 1.768 -1.249
542 HD22 LEU 72 2HD2 LEU 72 2.609 1.571 -1.418
543 HD23 LEU 72 3HD2 LEU 72 1.765 2.851 -2.323
544 H ARG 73 H ARG 73 5.873 0.931 -2.942
545 HA ARG 73 HA ARG 73 7.113 -1.140 -4.536
546 HB2 ARG 73 1HB ARG 73 9.273 0.148 -4.556
547 HB3 ARG 73 2HB ARG 73 8.008 0.956 -5.460
548 HG2 ARG 73 1HG ARG 73 8.388 2.798 -4.191
549 HG3 ARG 73 2HG ARG 73 7.681 1.936 -2.838
550 HD2 ARG 73 1HD ARG 73 9.763 1.357 -1.928
551 HD3 ARG 73 2HD ARG 73 10.572 1.369 -3.482
552 HE ARG 73 HE ARG 73 10.247 3.631 -1.691
553 HH11 ARG 73 2HH2 ARG 73 10.526 2.754 -5.087
554 HH12 ARG 73 1HH2 ARG 73 11.153 4.296 -5.566
555 HH21 ARG 73 2HH1 ARG 73 11.075 5.666 -2.322
556 HH22 ARG 73 1HH1 ARG 73 11.468 5.963 -3.982
557 H GLU 74 H GLU 74 9.333 -1.795 -3.352
558 HA GLU 74 HA GLU 74 8.585 -2.146 -0.592
559 HB2 GLU 74 1HB GLU 74 9.556 -3.918 -2.379
560 HB3 GLU 74 2HB GLU 74 11.087 -3.355 -1.739
561 HG2 GLU 74 1HG GLU 74 9.743 -3.715 0.608
562 HG3 GLU 74 2HG GLU 74 8.908 -4.902 -0.375
563 H ARG 75 H ARG 75 9.226 -0.584 0.832
564 HA ARG 75 HA ARG 75 10.932 1.393 0.403
565 HB2 ARG 75 1HB ARG 75 9.472 0.920 2.476
566 HB3 ARG 75 2HB ARG 75 10.790 -0.059 3.089
567 HG2 ARG 75 1HG ARG 75 12.319 1.940 2.907
568 HG3 ARG 75 2HG ARG 75 10.958 2.908 2.375
569 HD2 ARG 75 1HD ARG 75 9.824 2.671 4.496
570 HD3 ARG 75 2HD ARG 75 10.882 1.371 5.005
571 HE ARG 75 HE ARG 75 12.542 3.611 4.496
572 HH11 ARG 75 2HH2 ARG 75 9.961 2.716 6.714
573 HH12 ARG 75 1HH2 ARG 75 10.522 3.748 7.986
574 HH21 ARG 75 2HH1 ARG 75 13.283 4.974 6.174
575 HH22 ARG 75 1HH1 ARG 75 12.424 5.041 7.677
576 H SER 76 H SER 76 13.011 1.293 -0.410
577 HA SER 76 HA SER 76 15.031 0.156 1.135
578 HB2 SER 76 1HB SER 76 13.876 -1.858 -0.178
579 HB3 SER 76 2HB SER 76 14.829 -1.263 -1.523
580 HG SER 76 HG SER 76 16.574 -1.310 0.438
581 H GLY 77 H GLY 77 15.679 2.408 0.801
582 HA2 GLY 77 1HA GLY 77 16.468 3.088 -1.953
583 HA3 GLY 77 2HA GLY 77 16.225 4.206 -0.627
584 HA PRO 78 HA PRO 78 20.669 2.815 -0.915
585 HB2 PRO 78 1HB PRO 78 21.793 4.694 -2.551
586 HB3 PRO 78 2HB PRO 78 21.318 3.101 -3.106
587 HG2 PRO 78 1HG PRO 78 19.979 5.697 -3.559
588 HG3 PRO 78 2HG PRO 78 19.778 4.191 -4.432
589 HD2 PRO 78 1HD PRO 78 17.988 5.298 -2.483
590 HD3 PRO 78 2HD PRO 78 17.846 3.739 -3.270
591 H SER 79 H SER 79 19.592 3.801 1.214
592 HA SER 79 HA SER 79 21.580 5.701 1.984
593 HB2 SER 79 1HB SER 79 19.274 6.815 1.034
594 HB3 SER 79 2HB SER 79 18.820 6.592 2.711
595 HG SER 79 HG SER 79 21.255 7.910 1.860
596 H SER 80 H SER 80 21.738 5.874 4.356
597 HA SER 80 HA SER 80 21.625 5.132 6.393
598 HB2 SER 80 1HB SER 80 18.863 4.918 5.485
599 HB3 SER 80 2HB SER 80 19.215 3.641 6.632
600 HG SER 80 HG SER 80 19.379 5.072 8.237
601 H GLY 81 H GLY 81 22.791 3.421 7.216
602 HA2 GLY 81 1HA GLY 81 23.312 1.134 5.665
603 HA3 GLY 81 2HA GLY 81 23.757 1.395 7.340
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -12.700 -23.974 5.841
2 HA2 GLY 1 1HA GLY 1 -9.948 -23.392 5.474
3 HA3 GLY 1 2HA GLY 1 -10.428 -24.726 4.444
4 H SER 2 H SER 2 -11.541 -21.420 5.462
5 HA SER 2 HA SER 2 -12.728 -21.161 2.824
6 HB2 SER 2 1HB SER 2 -14.116 -19.443 3.729
7 HB3 SER 2 2HB SER 2 -14.081 -20.701 4.948
8 HG SER 2 HG SER 2 -12.245 -19.416 5.933
9 H SER 3 H SER 3 -11.627 -20.002 1.286
10 HA SER 3 HA SER 3 -9.171 -19.034 1.552
11 HB2 SER 3 1HB SER 3 -11.428 -17.983 -0.202
12 HB3 SER 3 2HB SER 3 -9.765 -17.469 -0.396
13 HG SER 3 HG SER 3 -10.989 -19.864 -1.145
14 H GLY 4 H GLY 4 -8.479 -17.737 3.244
15 HA2 GLY 4 1HA GLY 4 -9.501 -15.016 3.333
16 HA3 GLY 4 2HA GLY 4 -9.765 -15.975 4.776
17 H SER 5 H SER 5 -8.282 -13.982 5.463
18 HA SER 5 HA SER 5 -5.640 -13.921 4.764
19 HB2 SER 5 1HB SER 5 -7.264 -13.000 7.105
20 HB3 SER 5 2HB SER 5 -5.530 -13.063 7.348
21 HG SER 5 HG SER 5 -6.465 -11.860 4.940
22 H SER 6 H SER 6 -3.764 -14.406 6.452
23 HA SER 6 HA SER 6 -4.186 -16.570 8.190
24 HB2 SER 6 1HB SER 6 -3.980 -17.396 5.563
25 HB3 SER 6 2HB SER 6 -2.303 -17.464 6.067
26 HG SER 6 HG SER 6 -4.274 -19.232 6.605
27 H GLY 7 H GLY 7 -1.670 -15.190 5.942
28 HA2 GLY 7 1HA GLY 7 0.111 -13.859 6.556
29 HA3 GLY 7 2HA GLY 7 -0.156 -14.242 8.245
30 H ARG 8 H ARG 8 1.375 -15.520 9.175
31 HA ARG 8 HA ARG 8 3.135 -16.785 9.344
32 HB2 ARG 8 1HB ARG 8 1.101 -18.410 8.912
33 HB3 ARG 8 2HB ARG 8 1.863 -18.713 7.364
34 HG2 ARG 8 1HG ARG 8 4.018 -18.956 9.098
35 HG3 ARG 8 2HG ARG 8 2.704 -19.568 10.084
36 HD2 ARG 8 1HD ARG 8 3.629 -21.451 8.856
37 HD3 ARG 8 2HD ARG 8 2.051 -21.108 8.175
38 HE ARG 8 HE ARG 8 3.708 -19.579 6.595
39 HH11 ARG 8 2HH2 ARG 8 3.782 -22.962 7.560
40 HH12 ARG 8 1HH2 ARG 8 4.576 -23.490 6.114
41 HH21 ARG 8 2HH1 ARG 8 4.755 -20.275 4.687
42 HH22 ARG 8 1HH1 ARG 8 5.133 -21.951 4.468
43 H MET 9 H MET 9 4.768 -15.515 8.294
44 HA MET 9 HA MET 9 6.320 -15.056 6.844
45 HB2 MET 9 1HB MET 9 5.866 -17.898 6.618
46 HB3 MET 9 2HB MET 9 6.139 -17.306 4.991
47 HG2 MET 9 1HG MET 9 8.311 -16.470 5.520
48 HG3 MET 9 2HG MET 9 7.990 -16.452 7.242
49 HE1 MET 9 1HE MET 9 10.762 -18.474 7.137
50 HE2 MET 9 2HE MET 9 9.717 -17.334 8.017
51 HE3 MET 9 3HE MET 9 9.724 -19.058 8.459
52 HA PRO 10 HA PRO 10 4.332 -13.342 3.384
53 HB2 PRO 10 1HB PRO 10 6.467 -12.321 2.017
54 HB3 PRO 10 2HB PRO 10 5.736 -11.517 3.392
55 HG2 PRO 10 1HG PRO 10 8.288 -13.003 3.256
56 HG3 PRO 10 2HG PRO 10 7.749 -11.854 4.465
57 HD2 PRO 10 1HD PRO 10 7.818 -14.710 4.722
58 HD3 PRO 10 2HD PRO 10 7.172 -13.569 5.884
59 H THR 11 H THR 11 3.318 -14.172 1.671
60 HA THR 11 HA THR 11 4.980 -15.699 -0.172
61 HB THR 11 HB THR 11 4.183 -17.359 1.504
62 HG1 THR 11 1HG THR 11 4.068 -18.345 -0.493
63 HG21 THR 11 1HG2 THR 11 2.056 -17.339 2.342
64 HG22 THR 11 2HG2 THR 11 1.808 -15.784 1.513
65 HG23 THR 11 3HG2 THR 11 1.369 -17.306 0.701
66 H ARG 12 H ARG 12 4.689 -14.663 -2.043
67 HA ARG 12 HA ARG 12 3.719 -13.755 -3.745
68 HB2 ARG 12 1HB ARG 12 1.686 -15.650 -2.765
69 HB3 ARG 12 2HB ARG 12 0.945 -14.301 -3.603
70 HG2 ARG 12 1HG ARG 12 2.440 -14.686 -5.565
71 HG3 ARG 12 2HG ARG 12 3.208 -16.019 -4.727
72 HD2 ARG 12 1HD ARG 12 1.605 -17.410 -5.532
73 HD3 ARG 12 2HD ARG 12 0.410 -16.547 -4.584
74 HE ARG 12 HE ARG 12 0.962 -16.191 -7.460
75 HH11 ARG 12 2HH2 ARG 12 -0.618 -14.902 -4.592
76 HH12 ARG 12 1HH2 ARG 12 -1.734 -13.928 -5.489
77 HH21 ARG 12 2HH1 ARG 12 -0.511 -14.905 -8.644
78 HH22 ARG 12 1HH1 ARG 12 -1.673 -13.930 -7.809
79 H ARG 13 H ARG 13 3.281 -11.579 -4.012
80 HA ARG 13 HA ARG 13 2.604 -9.567 -3.618
81 HB2 ARG 13 1HB ARG 13 0.176 -10.897 -2.311
82 HB3 ARG 13 2HB ARG 13 0.254 -9.209 -2.776
83 HG2 ARG 13 1HG ARG 13 0.615 -11.540 -4.718
84 HG3 ARG 13 2HG ARG 13 -0.897 -10.687 -4.478
85 HD2 ARG 13 1HD ARG 13 -0.244 -9.059 -5.920
86 HD3 ARG 13 2HD ARG 13 1.163 -8.712 -4.934
87 HE ARG 13 HE ARG 13 2.485 -9.953 -6.418
88 HH11 ARG 13 2HH2 ARG 13 -0.903 -10.744 -6.949
89 HH12 ARG 13 1HH2 ARG 13 -0.592 -11.690 -8.367
90 HH21 ARG 13 2HH1 ARG 13 2.896 -11.200 -8.288
91 HH22 ARG 13 1HH1 ARG 13 1.583 -11.951 -9.133
92 H TRP 14 H TRP 14 2.273 -7.855 -1.882
93 HA TRP 14 HA TRP 14 3.836 -8.457 0.378
94 HB2 TRP 14 1HB TRP 14 2.121 -6.082 -0.349
95 HB3 TRP 14 2HB TRP 14 3.095 -6.157 1.105
96 HD1 TRP 14 HD TRP 14 5.862 -7.154 0.146
97 HE1 TRP 14 1HE TRP 14 7.414 -5.879 -1.566
98 HE3 TRP 14 3HE TRP 14 2.146 -4.420 -1.992
99 HZ2 TRP 14 2HZ TRP 14 6.924 -3.913 -3.576
100 HZ3 TRP 14 3HZ TRP 14 2.767 -2.846 -3.822
101 HH2 TRP 14 HH TRP 14 5.062 -2.569 -4.619
102 H ALA 15 H ALA 15 3.136 -8.417 2.656
103 HA ALA 15 HA ALA 15 0.410 -9.471 2.916
104 HB1 ALA 15 1HB ALA 15 1.258 -10.989 4.367
105 HB2 ALA 15 2HB ALA 15 2.839 -10.546 3.681
106 HB3 ALA 15 3HB ALA 15 2.273 -9.777 5.183
107 HA PRO 16 HA PRO 16 -0.657 -6.232 5.590
108 HB2 PRO 16 1HB PRO 16 -1.890 -7.383 7.740
109 HB3 PRO 16 2HB PRO 16 -2.673 -7.170 6.187
110 HG2 PRO 16 1HG PRO 16 -1.595 -9.643 7.396
111 HG3 PRO 16 2HG PRO 16 -2.735 -9.473 6.075
112 HD2 PRO 16 1HD PRO 16 0.048 -10.136 5.865
113 HD3 PRO 16 2HD PRO 16 -1.065 -9.852 4.542
114 H GLY 17 H GLY 17 0.706 -4.825 6.474
115 HA2 GLY 17 1HA GLY 17 1.607 -4.216 8.655
116 HA3 GLY 17 2HA GLY 17 2.195 -5.858 8.814
117 H THR 18 H THR 18 2.622 -5.464 5.611
118 HA THR 18 HA THR 18 5.415 -4.892 5.905
119 HB THR 18 HB THR 18 3.524 -5.611 3.621
120 HG1 THR 18 1HG THR 18 5.806 -6.722 5.092
121 HG21 THR 18 1HG2 THR 18 5.948 -4.181 3.278
122 HG22 THR 18 2HG2 THR 18 6.397 -5.890 3.068
123 HG23 THR 18 3HG2 THR 18 5.128 -5.171 2.047
124 H GLN 19 H GLN 19 6.598 -3.122 5.252
125 HA GLN 19 HA GLN 19 4.999 -0.741 4.996
126 HB2 GLN 19 1HB GLN 19 7.976 -1.209 5.433
127 HB3 GLN 19 2HB GLN 19 7.290 0.390 5.219
128 HG2 GLN 19 1HG GLN 19 5.826 0.069 7.188
129 HG3 GLN 19 2HG GLN 19 6.387 -1.581 7.371
130 HE21 GLN 19 1HE2 GLN 19 6.962 1.721 7.995
131 HE22 GLN 19 2HE2 GLN 19 8.470 1.593 8.839
132 H CYS 20 H CYS 20 4.529 0.158 3.039
133 HA CYS 20 HA CYS 20 6.313 -0.551 0.825
134 HB2 CYS 20 1HB CYS 20 3.333 0.025 0.736
135 HB3 CYS 20 2HB CYS 20 4.349 -0.250 -0.666
136 HG CYS 20 HG CYS 20 5.121 -2.454 1.376
137 H ILE 21 H ILE 21 6.670 1.201 -0.776
138 HA ILE 21 HA ILE 21 6.180 3.850 0.398
139 HB ILE 21 HB ILE 21 8.536 3.087 -1.317
140 HG12 ILE 21 1HG1 ILE 21 8.791 1.715 0.596
141 HG13 ILE 21 2HG1 ILE 21 9.836 3.102 0.838
142 HG21 ILE 21 1HG2 ILE 21 9.443 5.167 -0.749
143 HG22 ILE 21 2HG2 ILE 21 7.730 5.511 -1.086
144 HG23 ILE 21 3HG2 ILE 21 8.301 5.406 0.596
145 HD11 ILE 21 1HD1 ILE 21 8.816 3.318 2.860
146 HD12 ILE 21 2HD1 ILE 21 7.428 3.966 1.953
147 HD13 ILE 21 3HD1 ILE 21 7.480 2.240 2.387
148 H THR 22 H THR 22 5.621 5.556 -1.052
149 HA THR 22 HA THR 22 4.230 4.586 -3.391
150 HB THR 22 HB THR 22 3.547 7.078 -3.425
151 HG1 THR 22 1HG THR 22 4.548 8.314 -1.840
152 HG21 THR 22 1HG2 THR 22 3.140 5.292 -0.994
153 HG22 THR 22 2HG2 THR 22 2.465 6.939 -1.026
154 HG23 THR 22 3HG2 THR 22 1.958 5.745 -2.245
155 H LYS 23 H LYS 23 4.862 4.678 -5.466
156 HA LYS 23 HA LYS 23 7.549 5.524 -5.972
157 HB2 LYS 23 1HB LYS 23 5.370 4.297 -7.672
158 HB3 LYS 23 2HB LYS 23 6.912 4.793 -8.338
159 HG2 LYS 23 1HG LYS 23 8.032 3.032 -7.392
160 HG3 LYS 23 2HG LYS 23 7.195 3.195 -5.862
161 HD2 LYS 23 1HD LYS 23 6.414 1.113 -6.653
162 HD3 LYS 23 2HD LYS 23 5.119 2.203 -7.109
163 HE2 LYS 23 1HE LYS 23 5.503 1.923 -9.351
164 HE3 LYS 23 2HE LYS 23 7.243 2.029 -9.165
165 HZ1 LYS 23 1HZ LYS 23 5.700 -0.344 -8.390
166 HZ2 LYS 23 2HZ LYS 23 6.396 -0.167 -9.857
167 HZ3 LYS 23 3HZ LYS 23 7.323 -0.218 -8.514
168 H CYS 24 H CYS 24 4.294 6.859 -6.251
169 HA CYS 24 HA CYS 24 5.515 9.253 -7.401
170 HB2 CYS 24 1HB CYS 24 2.951 7.910 -8.285
171 HB3 CYS 24 2HB CYS 24 3.275 9.603 -8.602
172 HG CYS 24 HG CYS 24 4.653 9.322 -10.501
173 H GLU 25 H GLU 25 3.687 11.137 -7.099
174 HA GLU 25 HA GLU 25 2.818 10.834 -4.334
175 HB2 GLU 25 1HB GLU 25 3.032 13.270 -4.134
176 HB3 GLU 25 2HB GLU 25 4.537 12.587 -4.716
177 HG2 GLU 25 1HG GLU 25 2.914 13.154 -7.024
178 HG3 GLU 25 2HG GLU 25 2.846 14.564 -5.985
179 H HIS 26 H HIS 26 0.670 11.332 -3.757
180 HA HIS 26 HA HIS 26 -1.054 12.090 -5.999
181 HB2 HIS 26 1HB HIS 26 -1.005 9.583 -4.994
182 HB3 HIS 26 2HB HIS 26 -2.163 10.306 -3.895
183 HD1 HIS 26 1HD HIS 26 -1.932 11.273 -7.564
184 HD2 HIS 26 2HD HIS 26 -4.415 9.085 -4.987
185 HE1 HIS 26 1HE HIS 26 -4.032 10.712 -8.900
186 H THR 27 H THR 27 -1.633 14.168 -5.554
187 HA THR 27 HA THR 27 -2.062 14.912 -2.764
188 HB THR 27 HB THR 27 -1.783 17.155 -3.574
189 HG1 THR 27 1HG THR 27 -2.147 15.931 -6.217
190 HG21 THR 27 1HG2 THR 27 -0.199 15.681 -5.711
191 HG22 THR 27 2HG2 THR 27 0.256 17.140 -4.798
192 HG23 THR 27 3HG2 THR 27 0.278 15.549 -4.001
193 H ARG 28 H ARG 28 -3.815 14.310 -5.794
194 HA ARG 28 HA ARG 28 -6.236 14.791 -4.257
195 HB2 ARG 28 1HB ARG 28 -5.692 15.504 -7.180
196 HB3 ARG 28 2HB ARG 28 -7.302 15.490 -6.490
197 HG2 ARG 28 1HG ARG 28 -6.990 17.516 -5.508
198 HG3 ARG 28 2HG ARG 28 -5.493 16.996 -4.761
199 HD2 ARG 28 1HD ARG 28 -4.722 17.253 -7.418
200 HD3 ARG 28 2HD ARG 28 -5.915 18.529 -7.275
201 HE ARG 28 HE ARG 28 -4.248 18.697 -4.983
202 HH11 ARG 28 2HH2 ARG 28 -3.972 19.081 -8.470
203 HH12 ARG 28 1HH2 ARG 28 -2.673 20.222 -8.370
204 HH21 ARG 28 2HH1 ARG 28 -2.535 20.203 -4.850
205 HH22 ARG 28 1HH1 ARG 28 -1.850 20.865 -6.297
206 HA PRO 29 HA PRO 29 -6.394 10.579 -5.799
207 HB2 PRO 29 1HB PRO 29 -7.680 9.498 -3.643
208 HB3 PRO 29 2HB PRO 29 -5.934 9.576 -3.778
209 HG2 PRO 29 1HG PRO 29 -7.741 11.226 -2.119
210 HG3 PRO 29 2HG PRO 29 -6.012 10.994 -1.960
211 HD2 PRO 29 1HD PRO 29 -7.342 13.290 -3.048
212 HD3 PRO 29 2HD PRO 29 -5.613 13.007 -2.995
213 H LYS 30 H LYS 30 -8.293 8.911 -5.972
214 HA LYS 30 HA LYS 30 -10.278 10.309 -7.391
215 HB2 LYS 30 1HB LYS 30 -9.428 7.602 -7.003
216 HB3 LYS 30 2HB LYS 30 -11.156 7.673 -6.727
217 HG2 LYS 30 1HG LYS 30 -10.923 9.279 -8.963
218 HG3 LYS 30 2HG LYS 30 -9.616 8.145 -9.237
219 HD2 LYS 30 1HD LYS 30 -11.991 6.723 -8.302
220 HD3 LYS 30 2HD LYS 30 -12.396 7.718 -9.687
221 HE2 LYS 30 1HE LYS 30 -10.756 6.649 -11.082
222 HE3 LYS 30 2HE LYS 30 -9.928 5.939 -9.711
223 HZ1 LYS 30 1HZ LYS 30 -11.187 4.224 -10.498
224 HZ2 LYS 30 2HZ LYS 30 -12.174 4.797 -9.330
225 HZ3 LYS 30 3HZ LYS 30 -12.468 5.155 -10.896
226 HA PRO 31 HA PRO 31 -13.361 10.920 -4.419
227 HB2 PRO 31 1HB PRO 31 -15.692 9.989 -5.499
228 HB3 PRO 31 2HB PRO 31 -14.967 11.517 -5.957
229 HG2 PRO 31 1HG PRO 31 -15.021 8.968 -7.454
230 HG3 PRO 31 2HG PRO 31 -14.692 10.584 -8.048
231 HD2 PRO 31 1HD PRO 31 -12.768 8.519 -7.533
232 HD3 PRO 31 2HD PRO 31 -12.431 10.170 -8.016
233 H GLY 32 H GLY 32 -12.551 9.763 -2.663
234 HA2 GLY 32 1HA GLY 32 -13.611 8.392 -0.974
235 HA3 GLY 32 2HA GLY 32 -14.074 7.264 -2.233
236 H GLU 33 H GLU 33 -10.912 8.828 -2.458
237 HA GLU 33 HA GLU 33 -9.730 6.310 -1.576
238 HB2 GLU 33 1HB GLU 33 -9.147 8.070 -3.951
239 HB3 GLU 33 2HB GLU 33 -7.810 7.204 -3.221
240 HG2 GLU 33 1HG GLU 33 -9.289 5.080 -3.378
241 HG3 GLU 33 2HG GLU 33 -10.358 6.020 -4.400
242 H LEU 34 H LEU 34 -7.179 6.762 -1.140
243 HA LEU 34 HA LEU 34 -7.175 9.011 0.731
244 HB2 LEU 34 1HB LEU 34 -6.713 7.171 1.984
245 HB3 LEU 34 2HB LEU 34 -5.932 6.316 0.669
246 HG LEU 34 HG LEU 34 -4.046 8.106 0.947
247 HD11 LEU 34 1HD1 LEU 34 -4.161 9.548 2.629
248 HD12 LEU 34 2HD1 LEU 34 -5.816 8.980 2.953
249 HD13 LEU 34 3HD1 LEU 34 -4.439 8.235 3.799
250 HD21 LEU 34 1HD2 LEU 34 -4.451 5.507 1.896
251 HD22 LEU 34 2HD2 LEU 34 -2.904 6.371 1.733
252 HD23 LEU 34 3HD2 LEU 34 -3.786 6.408 3.279
253 H ALA 35 H ALA 35 -5.171 10.309 0.916
254 HA ALA 35 HA ALA 35 -3.889 10.532 -1.720
255 HB1 ALA 35 1HB ALA 35 -5.414 12.403 -0.546
256 HB2 ALA 35 2HB ALA 35 -3.872 12.780 0.260
257 HB3 ALA 35 3HB ALA 35 -3.982 12.823 -1.516
258 H PHE 36 H PHE 36 -1.583 11.310 -1.654
259 HA PHE 36 HA PHE 36 -0.135 11.149 0.757
260 HB2 PHE 36 1HB PHE 36 1.089 9.013 0.128
261 HB3 PHE 36 2HB PHE 36 -0.607 8.722 0.460
262 HD1 PHE 36 1HD PHE 36 1.817 9.219 -2.303
263 HD2 PHE 36 2HD PHE 36 -1.998 7.749 -1.165
264 HE1 PHE 36 1HE PHE 36 1.560 8.142 -4.555
265 HE2 PHE 36 2HE PHE 36 -2.255 6.672 -3.418
266 HZ PHE 36 HZ PHE 36 -0.472 6.881 -5.086
267 H ARG 37 H ARG 37 2.378 10.891 0.145
268 HA ARG 37 HA ARG 37 2.692 12.447 -2.296
269 HB2 ARG 37 1HB ARG 37 4.144 12.531 0.376
270 HB3 ARG 37 2HB ARG 37 4.922 13.155 -1.065
271 HG2 ARG 37 1HG ARG 37 2.110 14.040 -0.329
272 HG3 ARG 37 2HG ARG 37 3.503 14.793 0.422
273 HD2 ARG 37 1HD ARG 37 4.368 15.546 -1.723
274 HD3 ARG 37 2HD ARG 37 3.223 14.557 -2.607
275 HE ARG 37 HE ARG 37 1.619 16.203 -1.023
276 HH11 ARG 37 2HH2 ARG 37 4.130 16.734 -3.431
277 HH12 ARG 37 1HH2 ARG 37 3.482 18.252 -3.958
278 HH21 ARG 37 2HH1 ARG 37 0.764 18.204 -1.718
279 HH22 ARG 37 1HH1 ARG 37 1.554 19.094 -2.977
280 H LYS 38 H LYS 38 5.284 12.278 -2.942
281 HA LYS 38 HA LYS 38 5.629 9.482 -3.519
282 HB2 LYS 38 1HB LYS 38 5.946 11.259 -5.224
283 HB3 LYS 38 2HB LYS 38 7.305 11.883 -4.310
284 HG2 LYS 38 1HG LYS 38 8.130 9.324 -4.453
285 HG3 LYS 38 2HG LYS 38 7.080 9.302 -5.857
286 HD2 LYS 38 1HD LYS 38 8.299 11.431 -6.652
287 HD3 LYS 38 2HD LYS 38 9.455 11.152 -5.365
288 HE2 LYS 38 1HE LYS 38 10.571 9.770 -6.780
289 HE3 LYS 38 2HE LYS 38 9.241 8.639 -6.625
290 HZ1 LYS 38 1HZ LYS 38 9.853 10.433 -8.777
291 HZ2 LYS 38 2HZ LYS 38 9.098 8.985 -8.808
292 HZ3 LYS 38 3HZ LYS 38 8.266 10.332 -8.406
293 H GLY 39 H GLY 39 6.624 8.107 -2.156
294 HA2 GLY 39 1HA GLY 39 8.487 7.363 -0.995
295 HA3 GLY 39 2HA GLY 39 9.041 9.013 -0.784
296 H ASP 40 H ASP 40 5.806 7.518 -0.095
297 HA ASP 40 HA ASP 40 6.104 8.552 2.604
298 HB2 ASP 40 1HB ASP 40 3.851 8.217 0.704
299 HB3 ASP 40 2HB ASP 40 3.465 7.683 2.328
300 H VAL 41 H VAL 41 5.815 7.101 4.404
301 HA VAL 41 HA VAL 41 5.994 4.287 3.689
302 HB VAL 41 HB VAL 41 6.487 5.857 6.220
303 HG11 VAL 41 1HG1 VAL 41 6.906 2.875 5.864
304 HG12 VAL 41 2HG1 VAL 41 7.100 3.840 7.347
305 HG13 VAL 41 3HG1 VAL 41 5.479 3.583 6.658
306 HG21 VAL 41 1HG2 VAL 41 8.438 6.174 5.124
307 HG22 VAL 41 2HG2 VAL 41 8.786 4.509 5.648
308 HG23 VAL 41 3HG2 VAL 41 8.157 4.813 4.011
309 H VAL 42 H VAL 42 4.377 2.817 4.033
310 HA VAL 42 HA VAL 42 2.152 3.649 5.731
311 HB VAL 42 HB VAL 42 0.586 2.771 3.990
312 HG11 VAL 42 1HG1 VAL 42 1.377 5.267 4.414
313 HG12 VAL 42 2HG1 VAL 42 2.024 5.095 2.764
314 HG13 VAL 42 3HG1 VAL 42 0.287 4.855 3.068
315 HG21 VAL 42 1HG2 VAL 42 3.153 2.598 2.450
316 HG22 VAL 42 2HG2 VAL 42 1.756 1.495 2.471
317 HG23 VAL 42 3HG2 VAL 42 1.659 3.037 1.587
318 H THR 43 H THR 43 0.578 1.604 5.906
319 HA THR 43 HA THR 43 2.250 -0.812 6.021
320 HB THR 43 HB THR 43 0.463 0.391 8.197
321 HG1 THR 43 1HG THR 43 2.821 1.030 7.716
322 HG21 THR 43 1HG2 THR 43 1.204 -1.555 9.567
323 HG22 THR 43 2HG2 THR 43 0.256 -2.111 8.167
324 HG23 THR 43 3HG2 THR 43 2.031 -2.242 8.149
325 H ILE 44 H ILE 44 1.339 -2.632 5.238
326 HA ILE 44 HA ILE 44 -1.114 -2.366 3.853
327 HB ILE 44 HB ILE 44 0.659 -4.733 4.448
328 HG12 ILE 44 1HG1 ILE 44 1.569 -2.831 3.048
329 HG13 ILE 44 2HG1 ILE 44 1.588 -4.418 2.305
330 HG21 ILE 44 1HG2 ILE 44 -1.022 -5.102 2.148
331 HG22 ILE 44 2HG2 ILE 44 -0.858 -6.111 3.605
332 HG23 ILE 44 3HG2 ILE 44 -2.027 -4.769 3.579
333 HD11 ILE 44 1HD1 ILE 44 0.194 -3.759 0.637
334 HD12 ILE 44 2HD1 ILE 44 -0.947 -3.023 1.788
335 HD13 ILE 44 3HD1 ILE 44 0.459 -2.096 1.213
336 H LEU 45 H LEU 45 -3.060 -2.245 4.832
337 HA LEU 45 HA LEU 45 -3.400 -3.393 7.445
338 HB2 LEU 45 1HB LEU 45 -5.373 -1.989 5.639
339 HB3 LEU 45 2HB LEU 45 -5.615 -2.385 7.328
340 HG LEU 45 HG LEU 45 -3.426 -0.539 6.344
341 HD11 LEU 45 1HD1 LEU 45 -4.812 1.213 6.291
342 HD12 LEU 45 2HD1 LEU 45 -6.116 0.006 6.172
343 HD13 LEU 45 3HD1 LEU 45 -5.681 0.693 7.755
344 HD21 LEU 45 1HD2 LEU 45 -3.959 0.163 8.920
345 HD22 LEU 45 2HD2 LEU 45 -4.228 -1.596 8.976
346 HD23 LEU 45 3HD2 LEU 45 -2.667 -0.952 8.415
347 H GLU 46 H GLU 46 -4.920 -3.836 4.173
348 HA GLU 46 HA GLU 46 -5.136 -6.637 4.794
349 HB2 GLU 46 1HB GLU 46 -7.389 -4.856 5.019
350 HB3 GLU 46 2HB GLU 46 -7.658 -5.884 3.625
351 HG2 GLU 46 1HG GLU 46 -6.923 -7.852 5.207
352 HG3 GLU 46 2HG GLU 46 -7.204 -6.716 6.511
353 H ALA 47 H ALA 47 -4.784 -7.891 2.971
354 HA ALA 47 HA ALA 47 -4.303 -6.422 0.515
355 HB1 ALA 47 1HB ALA 47 -3.526 -8.869 -0.115
356 HB2 ALA 47 2HB ALA 47 -2.529 -7.861 0.961
357 HB3 ALA 47 3HB ALA 47 -3.584 -9.121 1.646
358 H CYS 48 H CYS 48 -5.285 -6.993 -1.516
359 HA CYS 48 HA CYS 48 -6.797 -7.960 -2.853
360 HB2 CYS 48 1HB CYS 48 -6.852 -9.868 -0.976
361 HB3 CYS 48 2HB CYS 48 -8.439 -9.189 -0.676
362 HG CYS 48 HG CYS 48 -9.416 -9.429 -3.008
363 H GLU 49 H GLU 49 -7.660 -5.949 -3.442
364 HA GLU 49 HA GLU 49 -10.074 -5.230 -2.039
365 HB2 GLU 49 1HB GLU 49 -7.600 -3.527 -2.180
366 HB3 GLU 49 2HB GLU 49 -9.146 -2.720 -2.351
367 HG2 GLU 49 1HG GLU 49 -8.908 -2.659 -0.032
368 HG3 GLU 49 2HG GLU 49 -9.815 -4.148 -0.209
369 H ASN 50 H ASN 50 -10.447 -6.448 -4.279
370 HA ASN 50 HA ASN 50 -11.561 -6.154 -6.154
371 HB2 ASN 50 1HB ASN 50 -11.646 -3.553 -5.286
372 HB3 ASN 50 2HB ASN 50 -10.645 -3.343 -6.710
373 HD21 ASN 50 1HD2 ASN 50 -13.771 -4.003 -5.460
374 HD22 ASN 50 2HD2 ASN 50 -14.652 -4.087 -6.949
375 H LYS 51 H LYS 51 -8.542 -6.596 -5.619
376 HA LYS 51 HA LYS 51 -6.721 -7.056 -6.778
377 HB2 LYS 51 1HB LYS 51 -8.496 -6.751 -9.219
378 HB3 LYS 51 2HB LYS 51 -6.902 -7.478 -9.203
379 HG2 LYS 51 1HG LYS 51 -7.616 -9.333 -7.889
380 HG3 LYS 51 2HG LYS 51 -9.046 -8.498 -7.313
381 HD2 LYS 51 1HD LYS 51 -10.220 -8.812 -9.338
382 HD3 LYS 51 2HD LYS 51 -8.756 -8.998 -10.282
383 HE2 LYS 51 1HE LYS 51 -9.193 -11.049 -8.140
384 HE3 LYS 51 2HE LYS 51 -10.314 -11.102 -9.485
385 HZ1 LYS 51 1HZ LYS 51 -7.666 -11.942 -9.424
386 HZ2 LYS 51 2HZ LYS 51 -8.738 -12.067 -10.650
387 HZ3 LYS 51 3HZ LYS 51 -7.784 -10.747 -10.531
388 H SER 52 H SER 52 -4.918 -6.032 -7.880
389 HA SER 52 HA SER 52 -3.650 -4.274 -8.134
390 HB2 SER 52 1HB SER 52 -5.080 -4.473 -10.330
391 HB3 SER 52 2HB SER 52 -5.854 -3.000 -9.783
392 HG SER 52 HG SER 52 -4.199 -1.996 -10.690
393 H TRP 53 H TRP 53 -4.956 -4.107 -5.689
394 HA TRP 53 HA TRP 53 -4.921 -1.293 -5.241
395 HB2 TRP 53 1HB TRP 53 -7.543 -2.748 -5.274
396 HB3 TRP 53 2HB TRP 53 -7.280 -1.445 -4.132
397 HD1 TRP 53 HD TRP 53 -8.217 -2.019 -7.721
398 HE1 TRP 53 1HE TRP 53 -8.481 0.228 -9.079
399 HE3 TRP 53 3HE TRP 53 -6.087 0.971 -4.203
400 HZ2 TRP 53 2HZ TRP 53 -7.785 2.943 -8.542
401 HZ3 TRP 53 3HZ TRP 53 -5.918 3.408 -4.699
402 HH2 TRP 53 HH TRP 53 -6.724 4.403 -6.780
403 H TYR 54 H TYR 54 -4.452 -0.900 -3.037
404 HA TYR 54 HA TYR 54 -4.632 -3.191 -1.232
405 HB2 TYR 54 1HB TYR 54 -2.220 -1.592 -2.213
406 HB3 TYR 54 2HB TYR 54 -2.190 -2.206 -0.571
407 HD1 TYR 54 1HD TYR 54 -2.623 -4.770 -0.273
408 HD2 TYR 54 2HD TYR 54 -1.507 -2.952 -3.982
409 HE1 TYR 54 1HE TYR 54 -1.801 -7.016 -1.135
410 HE2 TYR 54 2HE TYR 54 -0.689 -5.204 -4.831
411 HH TYR 54 HH TYR 54 -0.988 -7.488 -4.445
412 H ARG 55 H ARG 55 -5.423 -2.590 0.729
413 HA ARG 55 HA ARG 55 -5.723 0.231 1.159
414 HB2 ARG 55 1HB ARG 55 -7.638 -1.359 1.524
415 HB3 ARG 55 2HB ARG 55 -6.729 -2.154 2.794
416 HG2 ARG 55 1HG ARG 55 -6.747 -0.157 4.181
417 HG3 ARG 55 2HG ARG 55 -7.360 0.828 2.868
418 HD2 ARG 55 1HD ARG 55 -9.386 -0.908 2.897
419 HD3 ARG 55 2HD ARG 55 -8.824 -1.243 4.523
420 HE ARG 55 HE ARG 55 -8.982 1.595 4.200
421 HH11 ARG 55 2HH2 ARG 55 -11.095 -1.211 4.420
422 HH12 ARG 55 1HH2 ARG 55 -12.425 -0.317 5.080
423 HH21 ARG 55 2HH1 ARG 55 -10.736 2.774 5.071
424 HH22 ARG 55 1HH1 ARG 55 -12.219 1.964 5.453
425 H VAL 56 H VAL 56 -3.996 1.267 2.128
426 HA VAL 56 HA VAL 56 -2.674 -0.172 4.325
427 HB VAL 56 HB VAL 56 -0.638 0.897 3.740
428 HG11 VAL 56 1HG1 VAL 56 -1.506 -1.100 2.355
429 HG12 VAL 56 2HG1 VAL 56 -1.755 0.088 1.052
430 HG13 VAL 56 3HG1 VAL 56 -0.125 -0.177 1.717
431 HG21 VAL 56 1HG2 VAL 56 -0.473 2.440 1.771
432 HG22 VAL 56 2HG2 VAL 56 -2.252 2.479 1.714
433 HG23 VAL 56 3HG2 VAL 56 -1.393 3.104 3.143
434 H LYS 57 H LYS 57 -1.463 1.626 5.775
435 HA LYS 57 HA LYS 57 -3.480 3.705 6.274
436 HB2 LYS 57 1HB LYS 57 -3.473 1.867 7.956
437 HB3 LYS 57 2HB LYS 57 -1.800 2.232 8.325
438 HG2 LYS 57 1HG LYS 57 -2.871 4.739 8.561
439 HG3 LYS 57 2HG LYS 57 -4.275 3.782 8.991
440 HD2 LYS 57 1HD LYS 57 -3.414 3.385 11.049
441 HD3 LYS 57 2HD LYS 57 -1.997 2.636 10.339
442 HE2 LYS 57 1HE LYS 57 -0.710 4.559 10.516
443 HE3 LYS 57 2HE LYS 57 -2.069 5.630 10.236
444 HZ1 LYS 57 1HZ LYS 57 -2.258 5.866 12.400
445 HZ2 LYS 57 2HZ LYS 57 -2.493 4.265 12.620
446 HZ3 LYS 57 3HZ LYS 57 -0.981 4.881 12.660
447 H HIS 58 H HIS 58 -2.772 5.771 6.139
448 HA HIS 58 HA HIS 58 -0.038 6.203 5.487
449 HB2 HIS 58 1HB HIS 58 -2.264 7.420 4.722
450 HB3 HIS 58 2HB HIS 58 -1.941 8.430 6.117
451 HD2 HIS 58 2HD HIS 58 -0.769 8.015 2.476
452 HE1 HIS 58 1HE HIS 58 1.903 10.776 4.306
453 HE2 HIS 58 2HE HIS 58 1.136 9.665 2.098
454 H HIS 59 H HIS 59 1.625 6.579 6.864
455 HA HIS 59 HA HIS 59 1.235 6.518 9.617
456 HB2 HIS 59 1HB HIS 59 3.479 6.870 7.738
457 HB3 HIS 59 2HB HIS 59 3.723 7.642 9.293
458 HD1 HIS 59 1HD HIS 59 2.011 4.286 8.580
459 HD2 HIS 59 2HD HIS 59 5.339 5.854 10.595
460 HE1 HIS 59 1HE HIS 59 3.075 2.333 9.831
461 H THR 60 H THR 60 2.585 9.299 7.699
462 HA THR 60 HA THR 60 2.263 11.192 9.676
463 HB THR 60 HB THR 60 2.380 11.242 6.635
464 HG1 THR 60 1HG THR 60 4.271 10.772 8.002
465 HG21 THR 60 1HG2 THR 60 1.148 13.301 7.220
466 HG22 THR 60 2HG2 THR 60 2.266 13.615 8.569
467 HG23 THR 60 3HG2 THR 60 2.846 13.720 6.890
468 H SER 61 H SER 61 0.030 10.741 6.846
469 HA SER 61 HA SER 61 -1.870 12.459 7.742
470 HB2 SER 61 1HB SER 61 -1.643 10.372 5.741
471 HB3 SER 61 2HB SER 61 -3.232 10.285 6.475
472 HG SER 61 HG SER 61 -2.355 12.044 4.625
473 H GLY 62 H GLY 62 -1.986 8.826 8.049
474 HA2 GLY 62 1HA GLY 62 -2.464 7.696 10.037
475 HA3 GLY 62 2HA GLY 62 -3.201 9.141 10.700
476 H GLN 63 H GLN 63 -4.075 8.637 7.393
477 HA GLN 63 HA GLN 63 -6.679 7.747 8.300
478 HB2 GLN 63 1HB GLN 63 -5.952 8.743 5.519
479 HB3 GLN 63 2HB GLN 63 -7.548 8.647 6.237
480 HG2 GLN 63 1HG GLN 63 -7.085 10.444 7.776
481 HG3 GLN 63 2HG GLN 63 -5.361 10.366 7.472
482 HE21 GLN 63 1HE2 GLN 63 -4.556 11.823 6.179
483 HE22 GLN 63 2HE2 GLN 63 -5.383 12.700 4.935
484 H GLU 64 H GLU 64 -7.830 6.424 6.279
485 HA GLU 64 HA GLU 64 -5.916 4.422 5.408
486 HB2 GLU 64 1HB GLU 64 -8.503 3.897 6.924
487 HB3 GLU 64 2HB GLU 64 -7.707 2.658 5.974
488 HG2 GLU 64 1HG GLU 64 -5.769 2.653 7.367
489 HG3 GLU 64 2HG GLU 64 -6.142 4.222 8.053
490 H GLY 65 H GLY 65 -6.091 4.153 3.227
491 HA2 GLY 65 1HA GLY 65 -8.747 4.279 2.000
492 HA3 GLY 65 2HA GLY 65 -7.542 5.429 1.457
493 H LEU 66 H LEU 66 -8.480 3.752 -0.459
494 HA LEU 66 HA LEU 66 -6.885 1.367 -0.587
495 HB2 LEU 66 1HB LEU 66 -8.744 2.682 -2.572
496 HB3 LEU 66 2HB LEU 66 -7.956 1.136 -2.815
497 HG LEU 66 HG LEU 66 -9.895 1.744 -0.566
498 HD11 LEU 66 1HD1 LEU 66 -10.976 1.840 -2.779
499 HD12 LEU 66 2HD1 LEU 66 -10.382 0.199 -3.127
500 HD13 LEU 66 3HD1 LEU 66 -11.541 0.463 -1.803
501 HD21 LEU 66 1HD2 LEU 66 -9.900 -0.637 -0.144
502 HD22 LEU 66 2HD2 LEU 66 -8.771 -0.913 -1.492
503 HD23 LEU 66 3HD2 LEU 66 -8.235 -0.015 -0.052
504 H LEU 67 H LEU 67 -5.058 0.994 -1.853
505 HA LEU 67 HA LEU 67 -3.986 3.379 -3.190
506 HB2 LEU 67 1HB LEU 67 -2.994 2.214 -0.882
507 HB3 LEU 67 2HB LEU 67 -1.991 1.525 -2.143
508 HG LEU 67 HG LEU 67 -2.449 4.502 -1.845
509 HD11 LEU 67 1HD1 LEU 67 0.155 3.965 -1.027
510 HD12 LEU 67 2HD1 LEU 67 -1.216 4.441 0.005
511 HD13 LEU 67 3HD1 LEU 67 -0.827 2.718 -0.219
512 HD21 LEU 67 1HD2 LEU 67 -0.206 4.493 -3.113
513 HD22 LEU 67 2HD2 LEU 67 -0.598 2.802 -3.507
514 HD23 LEU 67 3HD2 LEU 67 -1.692 4.112 -4.015
515 H ALA 68 H ALA 68 -2.934 3.039 -5.178
516 HA ALA 68 HA ALA 68 -3.828 0.759 -6.595
517 HB1 ALA 68 1HB ALA 68 -3.524 2.287 -8.214
518 HB2 ALA 68 2HB ALA 68 -2.596 3.332 -7.112
519 HB3 ALA 68 3HB ALA 68 -1.768 2.059 -8.039
520 H ALA 69 H ALA 69 -2.853 -1.192 -6.942
521 HA ALA 69 HA ALA 69 -0.593 -1.871 -5.402
522 HB1 ALA 69 1HB ALA 69 -0.848 -4.049 -6.456
523 HB2 ALA 69 2HB ALA 69 -2.462 -3.403 -6.072
524 HB3 ALA 69 3HB ALA 69 -1.856 -3.349 -7.745
525 H GLY 70 H GLY 70 -1.040 -0.429 -8.560
526 HA2 GLY 70 1HA GLY 70 1.687 -1.138 -9.387
527 HA3 GLY 70 2HA GLY 70 0.430 -0.428 -10.382
528 H ALA 71 H ALA 71 1.406 0.610 -7.065
529 HA ALA 71 HA ALA 71 2.900 2.838 -8.085
530 HB1 ALA 71 1HB ALA 71 1.143 4.287 -6.588
531 HB2 ALA 71 2HB ALA 71 1.028 4.113 -8.356
532 HB3 ALA 71 3HB ALA 71 0.043 3.078 -7.294
533 H LEU 72 H LEU 72 3.180 0.413 -6.337
534 HA LEU 72 HA LEU 72 4.056 1.863 -3.948
535 HB2 LEU 72 1HB LEU 72 2.633 -0.803 -3.975
536 HB3 LEU 72 2HB LEU 72 3.377 -0.061 -2.572
537 HG LEU 72 HG LEU 72 1.232 1.405 -4.090
538 HD11 LEU 72 1HD1 LEU 72 -0.343 0.385 -2.302
539 HD12 LEU 72 2HD1 LEU 72 0.053 -0.564 -3.755
540 HD13 LEU 72 3HD1 LEU 72 0.869 -0.916 -2.212
541 HD21 LEU 72 1HD2 LEU 72 2.532 1.584 -1.411
542 HD22 LEU 72 2HD2 LEU 72 2.051 2.868 -2.547
543 HD23 LEU 72 3HD2 LEU 72 0.821 2.055 -1.550
544 H ARG 73 H ARG 73 5.929 0.904 -2.888
545 HA ARG 73 HA ARG 73 7.219 -1.156 -4.443
546 HB2 ARG 73 1HB ARG 73 9.373 0.137 -4.468
547 HB3 ARG 73 2HB ARG 73 8.116 0.925 -5.401
548 HG2 ARG 73 1HG ARG 73 8.417 2.792 -4.153
549 HG3 ARG 73 2HG ARG 73 7.799 1.924 -2.762
550 HD2 ARG 73 1HD ARG 73 9.926 1.473 -1.913
551 HD3 ARG 73 2HD ARG 73 10.672 1.419 -3.498
552 HE ARG 73 HE ARG 73 9.915 4.066 -3.276
553 HH11 ARG 73 2HH2 ARG 73 11.771 1.904 -1.211
554 HH12 ARG 73 1HH2 ARG 73 12.741 3.172 -0.539
555 HH21 ARG 73 2HH1 ARG 73 11.195 5.739 -2.389
556 HH22 ARG 73 1HH1 ARG 73 12.411 5.368 -1.214
557 H GLU 74 H GLU 74 9.424 -1.773 -3.211
558 HA GLU 74 HA GLU 74 8.635 -2.077 -0.460
559 HB2 GLU 74 1HB GLU 74 9.607 -3.901 -2.134
560 HB3 GLU 74 2HB GLU 74 11.157 -3.258 -1.631
561 HG2 GLU 74 1HG GLU 74 10.152 -3.533 0.821
562 HG3 GLU 74 2HG GLU 74 9.056 -4.655 0.041
563 H ARG 75 H ARG 75 9.254 -0.542 0.996
564 HA ARG 75 HA ARG 75 10.950 1.470 0.535
565 HB2 ARG 75 1HB ARG 75 9.420 1.163 2.541
566 HB3 ARG 75 2HB ARG 75 10.604 0.075 3.237
567 HG2 ARG 75 1HG ARG 75 12.315 1.999 3.003
568 HG3 ARG 75 2HG ARG 75 10.957 3.041 2.630
569 HD2 ARG 75 1HD ARG 75 9.915 2.570 4.804
570 HD3 ARG 75 2HD ARG 75 11.113 1.344 5.166
571 HE ARG 75 HE ARG 75 12.356 3.913 4.599
572 HH11 ARG 75 2HH2 ARG 75 10.722 2.058 7.104
573 HH12 ARG 75 1HH2 ARG 75 11.457 2.930 8.408
574 HH21 ARG 75 2HH1 ARG 75 13.326 5.063 6.319
575 HH22 ARG 75 1HH1 ARG 75 12.948 4.651 7.958
576 H SER 76 H SER 76 11.822 -1.403 2.610
577 HA SER 76 HA SER 76 14.492 -0.833 2.734
578 HB2 SER 76 1HB SER 76 12.792 -2.816 3.701
579 HB3 SER 76 2HB SER 76 13.869 -3.726 2.660
580 HG SER 76 HG SER 76 14.360 -2.648 5.139
581 H GLY 77 H GLY 77 15.550 -0.309 0.797
582 HA2 GLY 77 1HA GLY 77 15.264 -2.103 -1.492
583 HA3 GLY 77 2HA GLY 77 16.049 -0.536 -1.454
584 HA PRO 78 HA PRO 78 19.101 -4.019 -0.853
585 HB2 PRO 78 1HB PRO 78 19.864 -4.626 -3.406
586 HB3 PRO 78 2HB PRO 78 18.695 -5.571 -2.505
587 HG2 PRO 78 1HG PRO 78 18.228 -3.660 -4.711
588 HG3 PRO 78 2HG PRO 78 17.162 -4.907 -4.094
589 HD2 PRO 78 1HD PRO 78 16.972 -2.087 -3.600
590 HD3 PRO 78 2HD PRO 78 15.978 -3.345 -2.892
591 H SER 79 H SER 79 21.509 -4.102 -1.537
592 HA SER 79 HA SER 79 23.357 -2.948 -1.430
593 HB2 SER 79 1HB SER 79 23.257 -2.836 -3.793
594 HB3 SER 79 2HB SER 79 21.929 -1.692 -3.784
595 HG SER 79 HG SER 79 23.334 -0.023 -3.150
596 H SER 80 H SER 80 23.057 -2.038 0.704
597 HA SER 80 HA SER 80 22.674 0.828 0.583
598 HB2 SER 80 1HB SER 80 20.689 -0.894 1.599
599 HB3 SER 80 2HB SER 80 21.511 -0.307 3.031
600 HG SER 80 HG SER 80 21.231 1.866 1.559
601 H GLY 81 H GLY 81 24.544 1.682 1.409
602 HA2 GLY 81 1HA GLY 81 25.503 1.135 3.971
603 HA3 GLY 81 2HA GLY 81 26.424 0.151 2.851
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -21.506 -21.264 3.723
2 HA2 GLY 1 1HA GLY 1 -19.846 -19.535 2.671
3 HA3 GLY 1 2HA GLY 1 -19.912 -18.872 4.292
4 H SER 2 H SER 2 -18.575 -21.338 2.237
5 HA SER 2 HA SER 2 -17.554 -22.748 4.565
6 HB2 SER 2 1HB SER 2 -16.833 -24.469 2.818
7 HB3 SER 2 2HB SER 2 -18.562 -24.276 3.027
8 HG SER 2 HG SER 2 -16.894 -23.448 0.855
9 H SER 3 H SER 3 -15.312 -22.848 4.981
10 HA SER 3 HA SER 3 -13.779 -20.913 3.500
11 HB2 SER 3 1HB SER 3 -12.151 -21.111 5.321
12 HB3 SER 3 2HB SER 3 -13.757 -20.883 5.986
13 HG SER 3 HG SER 3 -12.479 -23.464 5.666
14 H GLY 4 H GLY 4 -13.182 -21.885 1.529
15 HA2 GLY 4 1HA GLY 4 -11.314 -24.138 1.772
16 HA3 GLY 4 2HA GLY 4 -12.691 -24.296 0.701
17 H SER 5 H SER 5 -9.673 -22.487 1.345
18 HA SER 5 HA SER 5 -9.934 -21.141 -1.191
19 HB2 SER 5 1HB SER 5 -8.994 -20.186 1.105
20 HB3 SER 5 2HB SER 5 -7.501 -20.946 0.592
21 HG SER 5 HG SER 5 -8.953 -19.218 -1.196
22 H SER 6 H SER 6 -8.871 -21.791 -3.052
23 HA SER 6 HA SER 6 -7.385 -24.234 -2.851
24 HB2 SER 6 1HB SER 6 -8.685 -22.644 -5.030
25 HB3 SER 6 2HB SER 6 -7.300 -23.608 -5.504
26 HG SER 6 HG SER 6 -8.373 -25.465 -5.093
27 H GLY 7 H GLY 7 -5.383 -23.650 -1.870
28 HA2 GLY 7 1HA GLY 7 -3.825 -21.507 -3.112
29 HA3 GLY 7 2HA GLY 7 -3.480 -22.343 -1.611
30 H ARG 8 H ARG 8 -3.071 -22.326 -5.105
31 HA ARG 8 HA ARG 8 -1.264 -24.575 -4.774
32 HB2 ARG 8 1HB ARG 8 -3.640 -24.784 -6.173
33 HB3 ARG 8 2HB ARG 8 -2.552 -24.296 -7.458
34 HG2 ARG 8 1HG ARG 8 -1.013 -26.208 -6.216
35 HG3 ARG 8 2HG ARG 8 -2.615 -26.837 -5.885
36 HD2 ARG 8 1HD ARG 8 -2.644 -26.006 -8.623
37 HD3 ARG 8 2HD ARG 8 -1.130 -26.859 -8.392
38 HE ARG 8 HE ARG 8 -3.106 -28.425 -7.120
39 HH11 ARG 8 2HH2 ARG 8 -2.398 -27.295 -10.377
40 HH12 ARG 8 1HH2 ARG 8 -3.143 -28.655 -11.148
41 HH21 ARG 8 2HH1 ARG 8 -4.090 -30.219 -8.138
42 HH22 ARG 8 1HH1 ARG 8 -4.113 -30.329 -9.866
43 H MET 9 H MET 9 -2.359 -21.959 -7.062
44 HA MET 9 HA MET 9 -0.069 -21.788 -8.522
45 HB2 MET 9 1HB MET 9 -2.486 -20.244 -8.051
46 HB3 MET 9 2HB MET 9 -1.139 -19.125 -8.105
47 HG2 MET 9 1HG MET 9 -1.182 -19.262 -10.371
48 HG3 MET 9 2HG MET 9 -0.661 -20.930 -10.243
49 HE1 MET 9 1HE MET 9 -3.445 -21.390 -12.799
50 HE2 MET 9 2HE MET 9 -1.837 -20.654 -12.599
51 HE3 MET 9 3HE MET 9 -2.116 -22.335 -12.087
52 HA PRO 10 HA PRO 10 2.850 -19.897 -5.925
53 HB2 PRO 10 1HB PRO 10 4.535 -18.748 -7.744
54 HB3 PRO 10 2HB PRO 10 4.582 -20.452 -7.336
55 HG2 PRO 10 1HG PRO 10 3.515 -19.157 -9.770
56 HG3 PRO 10 2HG PRO 10 3.957 -20.835 -9.523
57 HD2 PRO 10 1HD PRO 10 1.302 -19.751 -9.584
58 HD3 PRO 10 2HD PRO 10 1.750 -21.406 -9.223
59 H THR 11 H THR 11 0.713 -18.541 -5.476
60 HA THR 11 HA THR 11 1.032 -15.821 -6.365
61 HB THR 11 HB THR 11 -0.868 -17.249 -4.434
62 HG1 THR 11 1HG THR 11 -2.219 -16.978 -6.359
63 HG21 THR 11 1HG2 THR 11 -2.173 -14.999 -5.347
64 HG22 THR 11 2HG2 THR 11 -1.372 -15.092 -3.760
65 HG23 THR 11 3HG2 THR 11 -0.523 -14.364 -5.145
66 H ARG 12 H ARG 12 2.125 -14.207 -5.426
67 HA ARG 12 HA ARG 12 2.628 -14.401 -2.610
68 HB2 ARG 12 1HB ARG 12 4.572 -15.488 -4.086
69 HB3 ARG 12 2HB ARG 12 5.021 -13.819 -4.380
70 HG2 ARG 12 1HG ARG 12 5.965 -13.643 -2.325
71 HG3 ARG 12 2HG ARG 12 4.483 -14.161 -1.546
72 HD2 ARG 12 1HD ARG 12 6.268 -16.220 -2.883
73 HD3 ARG 12 2HD ARG 12 6.681 -15.621 -1.289
74 HE ARG 12 HE ARG 12 4.514 -17.438 -1.935
75 HH11 ARG 12 2HH2 ARG 12 5.463 -14.888 0.296
76 HH12 ARG 12 1HH2 ARG 12 4.423 -15.438 1.568
77 HH21 ARG 12 2HH1 ARG 12 3.142 -18.164 -0.258
78 HH22 ARG 12 1HH1 ARG 12 3.094 -17.314 1.250
79 H ARG 13 H ARG 13 2.726 -12.329 -1.660
80 HA ARG 13 HA ARG 13 3.429 -10.088 -3.225
81 HB2 ARG 13 1HB ARG 13 0.576 -10.819 -2.928
82 HB3 ARG 13 2HB ARG 13 0.908 -9.197 -2.354
83 HG2 ARG 13 1HG ARG 13 1.148 -8.413 -4.472
84 HG3 ARG 13 2HG ARG 13 2.321 -9.654 -4.863
85 HD2 ARG 13 1HD ARG 13 0.242 -9.743 -6.301
86 HD3 ARG 13 2HD ARG 13 0.571 -11.243 -5.457
87 HE ARG 13 HE ARG 13 -1.080 -9.903 -3.692
88 HH11 ARG 13 2HH2 ARG 13 -1.340 -10.713 -7.107
89 HH12 ARG 13 1HH2 ARG 13 -3.069 -10.809 -7.084
90 HH21 ARG 13 2HH1 ARG 13 -3.362 -10.029 -3.662
91 HH22 ARG 13 1HH1 ARG 13 -4.227 -10.416 -5.111
92 H TRP 14 H TRP 14 2.436 -7.993 -1.708
93 HA TRP 14 HA TRP 14 3.861 -8.326 0.729
94 HB2 TRP 14 1HB TRP 14 2.127 -6.052 -0.255
95 HB3 TRP 14 2HB TRP 14 3.176 -6.000 1.147
96 HD1 TRP 14 HD TRP 14 5.837 -7.271 -0.065
97 HE1 TRP 14 1HE TRP 14 7.305 -6.046 -1.883
98 HE3 TRP 14 3HE TRP 14 2.135 -4.225 -1.761
99 HZ2 TRP 14 2HZ TRP 14 6.766 -3.986 -3.784
100 HZ3 TRP 14 3HZ TRP 14 2.690 -2.636 -3.600
101 HH2 TRP 14 HH TRP 14 4.912 -2.487 -4.606
102 H ALA 15 H ALA 15 3.039 -8.600 2.827
103 HA ALA 15 HA ALA 15 0.216 -9.365 2.916
104 HB1 ALA 15 1HB ALA 15 2.633 -10.489 3.928
105 HB2 ALA 15 2HB ALA 15 1.681 -9.945 5.330
106 HB3 ALA 15 3HB ALA 15 0.969 -11.078 4.157
107 HA PRO 16 HA PRO 16 -0.756 -6.154 5.662
108 HB2 PRO 16 1HB PRO 16 -2.109 -7.280 7.752
109 HB3 PRO 16 2HB PRO 16 -2.836 -6.992 6.184
110 HG2 PRO 16 1HG PRO 16 -1.927 -9.545 7.366
111 HG3 PRO 16 2HG PRO 16 -3.019 -9.286 6.020
112 HD2 PRO 16 1HD PRO 16 -0.272 -10.095 5.870
113 HD3 PRO 16 2HD PRO 16 -1.330 -9.724 4.523
114 H GLY 17 H GLY 17 0.755 -4.890 6.530
115 HA2 GLY 17 1HA GLY 17 1.556 -4.431 8.849
116 HA3 GLY 17 2HA GLY 17 2.170 -6.072 8.844
117 H THR 18 H THR 18 2.633 -5.521 5.724
118 HA THR 18 HA THR 18 5.383 -4.767 6.090
119 HB THR 18 HB THR 18 3.621 -5.611 3.742
120 HG1 THR 18 1HG THR 18 4.926 -7.505 4.091
121 HG21 THR 18 1HG2 THR 18 6.361 -4.415 3.767
122 HG22 THR 18 2HG2 THR 18 6.229 -5.974 2.919
123 HG23 THR 18 3HG2 THR 18 5.221 -4.597 2.412
124 H GLN 19 H GLN 19 6.472 -2.967 5.231
125 HA GLN 19 HA GLN 19 4.687 -0.702 4.956
126 HB2 GLN 19 1HB GLN 19 7.626 -0.991 5.652
127 HB3 GLN 19 2HB GLN 19 6.967 0.563 5.184
128 HG2 GLN 19 1HG GLN 19 5.153 0.174 6.997
129 HG3 GLN 19 2HG GLN 19 6.143 -1.159 7.558
130 HE21 GLN 19 1HE2 GLN 19 5.406 1.364 8.843
131 HE22 GLN 19 2HE2 GLN 19 6.878 2.163 9.288
132 H CYS 20 H CYS 20 4.228 0.085 2.950
133 HA CYS 20 HA CYS 20 6.127 -0.585 0.825
134 HB2 CYS 20 1HB CYS 20 3.161 0.027 0.600
135 HB3 CYS 20 2HB CYS 20 4.232 -0.343 -0.737
136 HG CYS 20 HG CYS 20 4.517 -2.362 1.752
137 H ILE 21 H ILE 21 6.541 1.140 -0.790
138 HA ILE 21 HA ILE 21 6.077 3.804 0.360
139 HB ILE 21 HB ILE 21 8.371 2.997 -1.420
140 HG12 ILE 21 1HG1 ILE 21 8.657 1.628 0.491
141 HG13 ILE 21 2HG1 ILE 21 9.733 2.996 0.696
142 HG21 ILE 21 1HG2 ILE 21 8.102 5.353 0.460
143 HG22 ILE 21 2HG2 ILE 21 9.366 5.058 -0.757
144 HG23 ILE 21 3HG2 ILE 21 7.700 5.413 -1.273
145 HD11 ILE 21 1HD1 ILE 21 8.777 3.241 2.745
146 HD12 ILE 21 2HD1 ILE 21 7.372 3.906 1.877
147 HD13 ILE 21 3HD1 ILE 21 7.411 2.182 2.319
148 H THR 22 H THR 22 5.502 5.513 -1.078
149 HA THR 22 HA THR 22 4.028 4.560 -3.373
150 HB THR 22 HB THR 22 3.422 7.088 -3.397
151 HG1 THR 22 1HG THR 22 4.758 8.211 -2.040
152 HG21 THR 22 1HG2 THR 22 2.280 6.953 -1.059
153 HG22 THR 22 2HG2 THR 22 1.823 5.704 -2.242
154 HG23 THR 22 3HG2 THR 22 2.982 5.322 -0.946
155 H LYS 23 H LYS 23 4.628 4.593 -5.455
156 HA LYS 23 HA LYS 23 7.301 5.285 -6.073
157 HB2 LYS 23 1HB LYS 23 4.942 4.169 -7.514
158 HB3 LYS 23 2HB LYS 23 6.185 4.924 -8.491
159 HG2 LYS 23 1HG LYS 23 7.859 3.487 -7.035
160 HG3 LYS 23 2HG LYS 23 6.440 2.542 -6.630
161 HD2 LYS 23 1HD LYS 23 6.249 2.852 -9.421
162 HD3 LYS 23 2HD LYS 23 7.966 2.633 -9.150
163 HE2 LYS 23 1HE LYS 23 7.152 0.645 -7.558
164 HE3 LYS 23 2HE LYS 23 5.691 0.739 -8.522
165 HZ1 LYS 23 1HZ LYS 23 8.398 0.414 -9.619
166 HZ2 LYS 23 2HZ LYS 23 7.304 -0.785 -9.444
167 HZ3 LYS 23 3HZ LYS 23 7.014 0.438 -10.486
168 H CYS 24 H CYS 24 4.141 6.915 -6.288
169 HA CYS 24 HA CYS 24 5.596 9.300 -7.140
170 HB2 CYS 24 1HB CYS 24 3.040 8.227 -8.358
171 HB3 CYS 24 2HB CYS 24 3.511 9.909 -8.496
172 HG CYS 24 HG CYS 24 4.106 8.473 -10.680
173 H GLU 25 H GLU 25 3.609 11.182 -6.953
174 HA GLU 25 HA GLU 25 2.716 10.812 -4.205
175 HB2 GLU 25 1HB GLU 25 2.793 13.236 -3.978
176 HB3 GLU 25 2HB GLU 25 4.323 12.685 -4.631
177 HG2 GLU 25 1HG GLU 25 2.751 13.121 -6.924
178 HG3 GLU 25 2HG GLU 25 2.290 14.432 -5.857
179 H HIS 26 H HIS 26 0.547 11.446 -3.606
180 HA HIS 26 HA HIS 26 -1.212 11.921 -5.893
181 HB2 HIS 26 1HB HIS 26 -1.046 9.491 -4.658
182 HB3 HIS 26 2HB HIS 26 -2.308 10.252 -3.710
183 HD1 HIS 26 1HD HIS 26 -1.878 10.883 -7.434
184 HD2 HIS 26 2HD HIS 26 -4.418 8.809 -4.818
185 HE1 HIS 26 1HE HIS 26 -3.853 10.084 -8.838
186 H THR 27 H THR 27 -1.880 13.995 -5.575
187 HA THR 27 HA THR 27 -2.323 14.902 -2.839
188 HB THR 27 HB THR 27 -2.516 17.132 -4.032
189 HG1 THR 27 1HG THR 27 -2.946 16.863 -6.184
190 HG21 THR 27 1HG2 THR 27 -0.161 15.491 -3.830
191 HG22 THR 27 2HG2 THR 27 -0.120 16.278 -5.426
192 HG23 THR 27 3HG2 THR 27 -0.238 17.266 -3.950
193 H ARG 28 H ARG 28 -4.111 14.448 -5.940
194 HA ARG 28 HA ARG 28 -6.520 14.694 -4.322
195 HB2 ARG 28 1HB ARG 28 -5.773 15.833 -6.963
196 HB3 ARG 28 2HB ARG 28 -7.345 15.058 -6.968
197 HG2 ARG 28 1HG ARG 28 -6.837 16.785 -4.594
198 HG3 ARG 28 2HG ARG 28 -6.870 17.647 -6.120
199 HD2 ARG 28 1HD ARG 28 -9.063 15.821 -6.221
200 HD3 ARG 28 2HD ARG 28 -9.096 16.510 -4.611
201 HE ARG 28 HE ARG 28 -9.578 18.631 -5.527
202 HH11 ARG 28 2HH2 ARG 28 -8.669 16.387 -8.080
203 HH12 ARG 28 1HH2 ARG 28 -9.161 17.444 -9.361
204 HH21 ARG 28 2HH1 ARG 28 -10.228 20.027 -7.215
205 HH22 ARG 28 1HH1 ARG 28 -10.054 19.529 -8.865
206 HA PRO 29 HA PRO 29 -6.531 10.466 -5.831
207 HB2 PRO 29 1HB PRO 29 -7.739 9.351 -3.648
208 HB3 PRO 29 2HB PRO 29 -6.001 9.499 -3.810
209 HG2 PRO 29 1HG PRO 29 -7.848 11.088 -2.135
210 HG3 PRO 29 2HG PRO 29 -6.108 10.926 -2.001
211 HD2 PRO 29 1HD PRO 29 -7.546 13.159 -3.086
212 HD3 PRO 29 2HD PRO 29 -5.807 12.946 -3.057
213 H LYS 30 H LYS 30 -8.344 8.733 -6.016
214 HA LYS 30 HA LYS 30 -10.402 10.022 -7.408
215 HB2 LYS 30 1HB LYS 30 -9.473 7.343 -6.933
216 HB3 LYS 30 2HB LYS 30 -11.209 7.388 -6.699
217 HG2 LYS 30 1HG LYS 30 -11.072 8.888 -8.957
218 HG3 LYS 30 2HG LYS 30 -9.609 7.950 -9.182
219 HD2 LYS 30 1HD LYS 30 -11.411 5.988 -8.397
220 HD3 LYS 30 2HD LYS 30 -12.449 7.078 -9.295
221 HE2 LYS 30 1HE LYS 30 -9.828 5.902 -10.342
222 HE3 LYS 30 2HE LYS 30 -11.426 5.314 -10.755
223 HZ1 LYS 30 1HZ LYS 30 -10.914 6.765 -12.439
224 HZ2 LYS 30 2HZ LYS 30 -11.828 7.709 -11.469
225 HZ3 LYS 30 3HZ LYS 30 -10.203 7.866 -11.465
226 HA PRO 31 HA PRO 31 -13.468 10.614 -4.416
227 HB2 PRO 31 1HB PRO 31 -15.785 9.616 -5.467
228 HB3 PRO 31 2HB PRO 31 -15.097 11.154 -5.951
229 HG2 PRO 31 1HG PRO 31 -15.104 8.585 -7.413
230 HG3 PRO 31 2HG PRO 31 -14.815 10.199 -8.031
231 HD2 PRO 31 1HD PRO 31 -12.842 8.185 -7.502
232 HD3 PRO 31 2HD PRO 31 -12.545 9.836 -8.010
233 H GLY 32 H GLY 32 -12.650 9.519 -2.635
234 HA2 GLY 32 1HA GLY 32 -13.675 8.139 -0.931
235 HA3 GLY 32 2HA GLY 32 -14.092 6.977 -2.175
236 H GLU 33 H GLU 33 -10.982 8.641 -2.405
237 HA GLU 33 HA GLU 33 -9.724 6.168 -1.498
238 HB2 GLU 33 1HB GLU 33 -9.192 7.945 -3.866
239 HB3 GLU 33 2HB GLU 33 -7.813 7.172 -3.109
240 HG2 GLU 33 1HG GLU 33 -9.057 4.948 -3.297
241 HG3 GLU 33 2HG GLU 33 -10.289 5.778 -4.226
242 H LEU 34 H LEU 34 -7.171 6.748 -1.075
243 HA LEU 34 HA LEU 34 -7.287 8.962 0.837
244 HB2 LEU 34 1HB LEU 34 -6.748 7.136 2.076
245 HB3 LEU 34 2HB LEU 34 -5.933 6.322 0.755
246 HG LEU 34 HG LEU 34 -4.125 8.199 1.057
247 HD11 LEU 34 1HD1 LEU 34 -5.000 8.147 3.921
248 HD12 LEU 34 2HD1 LEU 34 -3.990 9.327 3.052
249 HD13 LEU 34 3HD1 LEU 34 -5.752 9.307 2.799
250 HD21 LEU 34 1HD2 LEU 34 -2.960 6.425 1.695
251 HD22 LEU 34 2HD2 LEU 34 -3.662 6.531 3.327
252 HD23 LEU 34 3HD2 LEU 34 -4.472 5.564 2.071
253 H ALA 35 H ALA 35 -5.354 10.354 1.045
254 HA ALA 35 HA ALA 35 -4.016 10.620 -1.560
255 HB1 ALA 35 1HB ALA 35 -4.429 12.858 0.436
256 HB2 ALA 35 2HB ALA 35 -4.114 12.961 -1.313
257 HB3 ALA 35 3HB ALA 35 -5.703 12.414 -0.725
258 H PHE 36 H PHE 36 -1.758 11.278 -1.521
259 HA PHE 36 HA PHE 36 -0.383 11.452 0.953
260 HB2 PHE 36 1HB PHE 36 0.923 9.310 0.565
261 HB3 PHE 36 2HB PHE 36 -0.775 8.993 0.864
262 HD1 PHE 36 1HD PHE 36 1.613 9.510 -1.952
263 HD2 PHE 36 2HD PHE 36 -1.951 7.640 -0.608
264 HE1 PHE 36 1HE PHE 36 1.475 8.226 -4.104
265 HE2 PHE 36 2HE PHE 36 -2.089 6.356 -2.760
266 HZ PHE 36 HZ PHE 36 -0.374 6.664 -4.482
267 H ARG 37 H ARG 37 2.160 11.195 0.423
268 HA ARG 37 HA ARG 37 2.492 12.595 -2.106
269 HB2 ARG 37 1HB ARG 37 3.926 12.811 0.567
270 HB3 ARG 37 2HB ARG 37 4.719 13.356 -0.897
271 HG2 ARG 37 1HG ARG 37 1.936 14.300 -0.077
272 HG3 ARG 37 2HG ARG 37 3.399 15.143 0.389
273 HD2 ARG 37 1HD ARG 37 3.298 14.525 -2.509
274 HD3 ARG 37 2HD ARG 37 1.977 15.550 -1.982
275 HE ARG 37 HE ARG 37 4.833 16.249 -2.019
276 HH11 ARG 37 2HH2 ARG 37 1.661 17.048 -0.722
277 HH12 ARG 37 1HH2 ARG 37 2.082 18.687 -0.355
278 HH21 ARG 37 2HH1 ARG 37 5.390 18.412 -1.535
279 HH22 ARG 37 1HH1 ARG 37 4.218 19.468 -0.821
280 H LYS 38 H LYS 38 5.013 12.370 -2.835
281 HA LYS 38 HA LYS 38 5.364 9.604 -3.353
282 HB2 LYS 38 1HB LYS 38 5.895 11.349 -4.994
283 HB3 LYS 38 2HB LYS 38 7.139 11.992 -3.942
284 HG2 LYS 38 1HG LYS 38 8.013 9.445 -4.002
285 HG3 LYS 38 2HG LYS 38 7.122 9.417 -5.511
286 HD2 LYS 38 1HD LYS 38 8.659 10.727 -6.580
287 HD3 LYS 38 2HD LYS 38 8.762 11.855 -5.242
288 HE2 LYS 38 1HE LYS 38 10.620 10.841 -4.369
289 HE3 LYS 38 2HE LYS 38 9.969 9.231 -4.603
290 HZ1 LYS 38 1HZ LYS 38 10.964 9.057 -6.573
291 HZ2 LYS 38 2HZ LYS 38 10.669 10.600 -7.021
292 HZ3 LYS 38 3HZ LYS 38 11.934 10.261 -6.045
293 H GLY 39 H GLY 39 6.970 8.170 -2.603
294 HA2 GLY 39 1HA GLY 39 8.400 7.278 -1.117
295 HA3 GLY 39 2HA GLY 39 9.060 8.883 -0.875
296 H ASP 40 H ASP 40 5.772 7.476 -0.217
297 HA ASP 40 HA ASP 40 6.043 8.556 2.466
298 HB2 ASP 40 1HB ASP 40 4.041 9.399 1.585
299 HB3 ASP 40 2HB ASP 40 3.739 7.968 0.619
300 H VAL 41 H VAL 41 5.689 7.145 4.299
301 HA VAL 41 HA VAL 41 5.904 4.314 3.642
302 HB VAL 41 HB VAL 41 6.399 5.944 6.134
303 HG11 VAL 41 1HG1 VAL 41 7.405 3.488 6.739
304 HG12 VAL 41 2HG1 VAL 41 5.806 4.073 7.258
305 HG13 VAL 41 3HG1 VAL 41 5.950 3.035 5.819
306 HG21 VAL 41 1HG2 VAL 41 8.389 6.196 5.126
307 HG22 VAL 41 2HG2 VAL 41 8.671 4.488 5.541
308 HG23 VAL 41 3HG2 VAL 41 8.047 4.922 3.931
309 H VAL 42 H VAL 42 4.293 2.845 4.031
310 HA VAL 42 HA VAL 42 2.038 3.756 5.657
311 HB VAL 42 HB VAL 42 0.486 2.829 3.995
312 HG11 VAL 42 1HG1 VAL 42 2.285 4.952 2.782
313 HG12 VAL 42 2HG1 VAL 42 0.560 4.679 2.443
314 HG13 VAL 42 3HG1 VAL 42 1.071 5.257 4.047
315 HG21 VAL 42 1HG2 VAL 42 1.956 2.822 1.612
316 HG22 VAL 42 2HG2 VAL 42 2.953 1.904 2.766
317 HG23 VAL 42 3HG2 VAL 42 1.271 1.412 2.456
318 H THR 43 H THR 43 0.455 1.626 5.777
319 HA THR 43 HA THR 43 2.178 -0.713 6.183
320 HB THR 43 HB THR 43 0.292 0.592 8.214
321 HG1 THR 43 1HG THR 43 2.587 1.343 7.849
322 HG21 THR 43 1HG2 THR 43 1.590 -2.141 8.071
323 HG22 THR 43 2HG2 THR 43 1.527 -1.308 9.643
324 HG23 THR 43 3HG2 THR 43 0.020 -1.681 8.773
325 H ILE 44 H ILE 44 1.397 -2.435 5.156
326 HA ILE 44 HA ILE 44 -1.036 -2.352 3.809
327 HB ILE 44 HB ILE 44 0.686 -4.706 4.593
328 HG12 ILE 44 1HG1 ILE 44 1.783 -2.833 3.287
329 HG13 ILE 44 2HG1 ILE 44 1.846 -4.427 2.562
330 HG21 ILE 44 1HG2 ILE 44 -1.889 -4.629 3.355
331 HG22 ILE 44 2HG2 ILE 44 -0.687 -5.133 2.143
332 HG23 ILE 44 3HG2 ILE 44 -0.836 -6.028 3.674
333 HD11 ILE 44 1HD1 ILE 44 -0.596 -3.192 1.680
334 HD12 ILE 44 2HD1 ILE 44 0.722 -2.015 1.465
335 HD13 ILE 44 3HD1 ILE 44 0.832 -3.623 0.708
336 H LEU 45 H LEU 45 -3.025 -2.248 4.696
337 HA LEU 45 HA LEU 45 -3.428 -3.352 7.335
338 HB2 LEU 45 1HB LEU 45 -5.306 -1.867 5.492
339 HB3 LEU 45 2HB LEU 45 -5.632 -2.302 7.158
340 HG LEU 45 HG LEU 45 -3.368 -0.478 6.306
341 HD11 LEU 45 1HD1 LEU 45 -5.599 0.778 7.711
342 HD12 LEU 45 2HD1 LEU 45 -4.729 1.286 6.244
343 HD13 LEU 45 3HD1 LEU 45 -6.063 0.114 6.126
344 HD21 LEU 45 1HD2 LEU 45 -4.245 -0.041 8.981
345 HD22 LEU 45 2HD2 LEU 45 -3.964 -1.785 8.767
346 HD23 LEU 45 3HD2 LEU 45 -2.666 -0.624 8.402
347 H GLU 46 H GLU 46 -5.033 -3.677 4.086
348 HA GLU 46 HA GLU 46 -5.222 -6.502 4.591
349 HB2 GLU 46 1HB GLU 46 -7.524 -4.656 4.761
350 HB3 GLU 46 2HB GLU 46 -7.787 -5.973 3.636
351 HG2 GLU 46 1HG GLU 46 -6.986 -7.572 5.479
352 HG3 GLU 46 2HG GLU 46 -7.012 -6.207 6.578
353 H ALA 47 H ALA 47 -5.091 -7.702 2.683
354 HA ALA 47 HA ALA 47 -5.051 -6.094 0.221
355 HB1 ALA 47 1HB ALA 47 -3.319 -8.278 1.313
356 HB2 ALA 47 2HB ALA 47 -3.612 -8.265 -0.442
357 HB3 ALA 47 3HB ALA 47 -2.882 -6.847 0.349
358 H CYS 48 H CYS 48 -6.900 -6.388 -0.920
359 HA CYS 48 HA CYS 48 -7.621 -8.872 -1.885
360 HB2 CYS 48 1HB CYS 48 -8.350 -8.996 0.656
361 HB3 CYS 48 2HB CYS 48 -9.724 -8.061 0.100
362 HG CYS 48 HG CYS 48 -8.666 -10.601 -1.682
363 H GLU 49 H GLU 49 -9.996 -8.642 -2.908
364 HA GLU 49 HA GLU 49 -11.316 -7.558 -4.248
365 HB2 GLU 49 1HB GLU 49 -10.937 -5.631 -2.027
366 HB3 GLU 49 2HB GLU 49 -11.463 -4.884 -3.522
367 HG2 GLU 49 1HG GLU 49 -13.572 -5.629 -3.168
368 HG3 GLU 49 2HG GLU 49 -13.004 -7.287 -3.212
369 H ASN 50 H ASN 50 -10.506 -7.424 -6.301
370 HA ASN 50 HA ASN 50 -9.606 -6.533 -8.072
371 HB2 ASN 50 1HB ASN 50 -8.578 -4.179 -6.412
372 HB3 ASN 50 2HB ASN 50 -8.845 -4.209 -8.143
373 HD21 ASN 50 1HD2 ASN 50 -10.196 -3.730 -5.045
374 HD22 ASN 50 2HD2 ASN 50 -11.828 -3.371 -5.500
375 H LYS 51 H LYS 51 -7.685 -7.385 -8.901
376 HA LYS 51 HA LYS 51 -5.513 -7.844 -7.053
377 HB2 LYS 51 1HB LYS 51 -5.969 -8.704 -9.925
378 HB3 LYS 51 2HB LYS 51 -4.577 -9.157 -8.962
379 HG2 LYS 51 1HG LYS 51 -6.031 -10.266 -7.300
380 HG3 LYS 51 2HG LYS 51 -7.466 -9.720 -8.145
381 HD2 LYS 51 1HD LYS 51 -7.390 -11.659 -9.324
382 HD3 LYS 51 2HD LYS 51 -5.994 -11.006 -10.159
383 HE2 LYS 51 1HE LYS 51 -5.138 -12.026 -7.579
384 HE3 LYS 51 2HE LYS 51 -6.090 -13.259 -8.382
385 HZ1 LYS 51 1HZ LYS 51 -3.792 -11.849 -9.552
386 HZ2 LYS 51 2HZ LYS 51 -3.805 -13.395 -9.027
387 HZ3 LYS 51 3HZ LYS 51 -4.694 -12.968 -10.328
388 H SER 52 H SER 52 -5.768 -5.155 -7.223
389 HA SER 52 HA SER 52 -3.272 -4.414 -8.173
390 HB2 SER 52 1HB SER 52 -4.248 -4.515 -10.410
391 HB3 SER 52 2HB SER 52 -5.628 -3.561 -9.907
392 HG SER 52 HG SER 52 -3.807 -2.425 -11.086
393 H TRP 53 H TRP 53 -4.660 -4.231 -5.729
394 HA TRP 53 HA TRP 53 -4.539 -1.403 -5.295
395 HB2 TRP 53 1HB TRP 53 -7.174 -2.834 -5.286
396 HB3 TRP 53 2HB TRP 53 -6.886 -1.522 -4.160
397 HD1 TRP 53 HD TRP 53 -7.725 -2.144 -7.797
398 HE1 TRP 53 1HE TRP 53 -8.036 0.100 -9.150
399 HE3 TRP 53 3HE TRP 53 -5.872 0.910 -4.178
400 HZ2 TRP 53 2HZ TRP 53 -7.485 2.839 -8.568
401 HZ3 TRP 53 3HZ TRP 53 -5.793 3.357 -4.651
402 HH2 TRP 53 HH TRP 53 -6.562 4.331 -6.757
403 H TYR 54 H TYR 54 -4.385 -0.957 -2.975
404 HA TYR 54 HA TYR 54 -4.446 -3.253 -1.206
405 HB2 TYR 54 1HB TYR 54 -2.021 -1.645 -2.147
406 HB3 TYR 54 2HB TYR 54 -2.013 -2.294 -0.520
407 HD1 TYR 54 1HD TYR 54 -2.433 -4.859 -0.275
408 HD2 TYR 54 2HD TYR 54 -1.309 -2.970 -3.946
409 HE1 TYR 54 1HE TYR 54 -1.604 -7.087 -1.176
410 HE2 TYR 54 2HE TYR 54 -0.483 -5.205 -4.834
411 HH TYR 54 HH TYR 54 -0.777 -8.148 -2.862
412 H ARG 55 H ARG 55 -5.321 -2.626 0.706
413 HA ARG 55 HA ARG 55 -5.623 0.187 1.121
414 HB2 ARG 55 1HB ARG 55 -7.520 -1.403 1.511
415 HB3 ARG 55 2HB ARG 55 -6.597 -2.204 2.766
416 HG2 ARG 55 1HG ARG 55 -6.467 0.040 3.987
417 HG3 ARG 55 2HG ARG 55 -7.572 0.689 2.792
418 HD2 ARG 55 1HD ARG 55 -9.286 -0.999 3.417
419 HD3 ARG 55 2HD ARG 55 -8.177 -1.733 4.558
420 HE ARG 55 HE ARG 55 -8.633 -0.010 6.076
421 HH11 ARG 55 2HH2 ARG 55 -9.673 0.981 2.864
422 HH12 ARG 55 1HH2 ARG 55 -10.446 2.427 3.421
423 HH21 ARG 55 2HH1 ARG 55 -9.653 1.898 6.812
424 HH22 ARG 55 1HH1 ARG 55 -10.434 2.952 5.681
425 H VAL 56 H VAL 56 -3.894 1.253 2.057
426 HA VAL 56 HA VAL 56 -2.545 -0.134 4.271
427 HB VAL 56 HB VAL 56 -0.540 0.994 3.676
428 HG11 VAL 56 1HG1 VAL 56 -0.004 -0.068 1.642
429 HG12 VAL 56 2HG1 VAL 56 -1.325 -1.046 2.325
430 HG13 VAL 56 3HG1 VAL 56 -1.659 0.108 1.011
431 HG21 VAL 56 1HG2 VAL 56 -0.366 2.575 1.808
432 HG22 VAL 56 2HG2 VAL 56 -2.121 2.455 1.532
433 HG23 VAL 56 3HG2 VAL 56 -1.504 3.165 3.044
434 H LYS 57 H LYS 57 -1.441 1.617 5.785
435 HA LYS 57 HA LYS 57 -3.426 3.745 6.196
436 HB2 LYS 57 1HB LYS 57 -3.689 1.933 7.840
437 HB3 LYS 57 2HB LYS 57 -2.007 2.089 8.303
438 HG2 LYS 57 1HG LYS 57 -2.932 4.718 8.503
439 HG3 LYS 57 2HG LYS 57 -4.322 3.788 9.026
440 HD2 LYS 57 1HD LYS 57 -2.982 2.627 10.728
441 HD3 LYS 57 2HD LYS 57 -1.507 3.363 10.131
442 HE2 LYS 57 1HE LYS 57 -2.269 5.595 10.804
443 HE3 LYS 57 2HE LYS 57 -3.859 4.983 11.212
444 HZ1 LYS 57 1HZ LYS 57 -1.702 5.134 12.865
445 HZ2 LYS 57 2HZ LYS 57 -3.115 4.378 13.180
446 HZ3 LYS 57 3HZ LYS 57 -1.859 3.537 12.561
447 H HIS 58 H HIS 58 -2.609 5.764 6.069
448 HA HIS 58 HA HIS 58 0.192 6.077 5.710
449 HB2 HIS 58 1HB HIS 58 -1.754 7.366 4.609
450 HB3 HIS 58 2HB HIS 58 -1.814 8.300 6.091
451 HD2 HIS 58 2HD HIS 58 0.069 8.283 2.777
452 HE1 HIS 58 1HE HIS 58 2.321 10.784 5.382
453 HE2 HIS 58 2HE HIS 58 1.989 9.949 2.955
454 H HIS 59 H HIS 59 1.730 6.458 7.230
455 HA HIS 59 HA HIS 59 1.115 6.357 9.926
456 HB2 HIS 59 1HB HIS 59 3.264 5.687 9.274
457 HB3 HIS 59 2HB HIS 59 3.557 7.151 8.357
458 HD1 HIS 59 1HD HIS 59 4.642 9.113 9.568
459 HD2 HIS 59 2HD HIS 59 3.437 6.043 12.160
460 HE1 HIS 59 1HE HIS 59 5.618 9.684 11.855
461 H THR 60 H THR 60 2.773 9.211 8.442
462 HA THR 60 HA THR 60 2.168 11.033 10.340
463 HB THR 60 HB THR 60 2.300 11.359 7.296
464 HG1 THR 60 1HG THR 60 4.532 11.557 7.837
465 HG21 THR 60 1HG2 THR 60 1.487 13.361 8.962
466 HG22 THR 60 2HG2 THR 60 3.245 13.468 9.220
467 HG23 THR 60 3HG2 THR 60 2.573 13.655 7.582
468 H SER 61 H SER 61 0.150 10.646 7.343
469 HA SER 61 HA SER 61 -1.836 12.305 8.118
470 HB2 SER 61 1HB SER 61 -1.429 10.273 6.117
471 HB3 SER 61 2HB SER 61 -3.039 10.056 6.775
472 HG SER 61 HG SER 61 -2.091 12.028 5.093
473 H GLY 62 H GLY 62 -1.938 8.670 8.415
474 HA2 GLY 62 1HA GLY 62 -2.525 7.531 10.369
475 HA3 GLY 62 2HA GLY 62 -3.308 8.970 10.992
476 H GLN 63 H GLN 63 -4.047 8.607 7.670
477 HA GLN 63 HA GLN 63 -6.664 7.628 8.416
478 HB2 GLN 63 1HB GLN 63 -5.799 8.733 5.714
479 HB3 GLN 63 2HB GLN 63 -7.435 8.565 6.320
480 HG2 GLN 63 1HG GLN 63 -7.166 10.335 7.902
481 HG3 GLN 63 2HG GLN 63 -5.417 10.270 7.818
482 HE21 GLN 63 1HE2 GLN 63 -4.425 11.698 6.614
483 HE22 GLN 63 2HE2 GLN 63 -5.105 12.639 5.329
484 H GLU 64 H GLU 64 -7.739 6.278 6.444
485 HA GLU 64 HA GLU 64 -5.757 4.377 5.501
486 HB2 GLU 64 1HB GLU 64 -8.336 3.690 6.973
487 HB3 GLU 64 2HB GLU 64 -7.408 2.516 6.061
488 HG2 GLU 64 1HG GLU 64 -5.481 2.769 7.507
489 HG3 GLU 64 2HG GLU 64 -6.147 4.203 8.264
490 H GLY 65 H GLY 65 -5.966 4.052 3.325
491 HA2 GLY 65 1HA GLY 65 -8.630 4.147 2.126
492 HA3 GLY 65 2HA GLY 65 -7.463 5.336 1.582
493 H LEU 66 H LEU 66 -8.287 3.758 -0.398
494 HA LEU 66 HA LEU 66 -6.731 1.351 -0.561
495 HB2 LEU 66 1HB LEU 66 -8.623 2.794 -2.402
496 HB3 LEU 66 2HB LEU 66 -7.678 1.422 -2.948
497 HG LEU 66 HG LEU 66 -9.606 1.354 -0.610
498 HD11 LEU 66 1HD1 LEU 66 -10.094 0.087 -3.300
499 HD12 LEU 66 2HD1 LEU 66 -11.247 0.431 -1.988
500 HD13 LEU 66 3HD1 LEU 66 -10.579 1.765 -2.958
501 HD21 LEU 66 1HD2 LEU 66 -9.388 -1.111 -0.857
502 HD22 LEU 66 2HD2 LEU 66 -8.083 -0.842 -2.037
503 HD23 LEU 66 3HD2 LEU 66 -7.883 -0.305 -0.352
504 H LEU 67 H LEU 67 -5.044 0.947 -2.141
505 HA LEU 67 HA LEU 67 -3.834 3.357 -3.252
506 HB2 LEU 67 1HB LEU 67 -2.915 2.168 -0.904
507 HB3 LEU 67 2HB LEU 67 -1.842 1.555 -2.147
508 HG LEU 67 HG LEU 67 -2.421 4.501 -1.745
509 HD11 LEU 67 1HD1 LEU 67 0.219 3.919 -0.949
510 HD12 LEU 67 2HD1 LEU 67 -1.137 4.471 0.062
511 HD13 LEU 67 3HD1 LEU 67 -0.824 2.730 -0.134
512 HD21 LEU 67 1HD2 LEU 67 -0.587 2.936 -3.528
513 HD22 LEU 67 2HD2 LEU 67 -1.615 4.343 -3.895
514 HD23 LEU 67 3HD2 LEU 67 -0.109 4.558 -2.971
515 H ALA 68 H ALA 68 -2.628 2.986 -5.167
516 HA ALA 68 HA ALA 68 -3.481 0.692 -6.607
517 HB1 ALA 68 1HB ALA 68 -2.079 3.237 -7.087
518 HB2 ALA 68 2HB ALA 68 -1.468 1.895 -8.085
519 HB3 ALA 68 3HB ALA 68 -3.193 2.330 -8.139
520 H ALA 69 H ALA 69 -2.482 -1.257 -6.888
521 HA ALA 69 HA ALA 69 -0.262 -1.883 -5.257
522 HB1 ALA 69 1HB ALA 69 -0.424 -4.081 -6.486
523 HB2 ALA 69 2HB ALA 69 -1.953 -3.539 -5.752
524 HB3 ALA 69 3HB ALA 69 -1.692 -3.355 -7.503
525 H GLY 70 H GLY 70 -0.642 -0.523 -8.456
526 HA2 GLY 70 1HA GLY 70 2.036 -1.322 -9.302
527 HA3 GLY 70 2HA GLY 70 0.834 -0.453 -10.235
528 H ALA 71 H ALA 71 0.637 1.079 -7.324
529 HA ALA 71 HA ALA 71 2.719 3.008 -8.091
530 HB1 ALA 71 1HB ALA 71 1.122 4.584 -7.985
531 HB2 ALA 71 2HB ALA 71 -0.081 3.295 -7.740
532 HB3 ALA 71 3HB ALA 71 0.681 4.079 -6.336
533 H LEU 72 H LEU 72 2.843 0.484 -6.354
534 HA LEU 72 HA LEU 72 3.821 1.863 -3.955
535 HB2 LEU 72 1HB LEU 72 2.298 -0.741 -4.098
536 HB3 LEU 72 2HB LEU 72 3.155 -0.175 -2.678
537 HG LEU 72 HG LEU 72 1.019 1.521 -3.960
538 HD11 LEU 72 1HD1 LEU 72 0.644 -1.047 -2.633
539 HD12 LEU 72 2HD1 LEU 72 -0.214 0.278 -1.810
540 HD13 LEU 72 3HD1 LEU 72 -0.513 -0.039 -3.536
541 HD21 LEU 72 1HD2 LEU 72 2.580 1.533 -1.446
542 HD22 LEU 72 2HD2 LEU 72 1.897 2.878 -2.390
543 HD23 LEU 72 3HD2 LEU 72 0.854 1.941 -1.294
544 H ARG 73 H ARG 73 5.692 0.854 -2.943
545 HA ARG 73 HA ARG 73 6.940 -1.193 -4.540
546 HB2 ARG 73 1HB ARG 73 9.101 0.081 -4.623
547 HB3 ARG 73 2HB ARG 73 7.828 0.887 -5.519
548 HG2 ARG 73 1HG ARG 73 8.192 2.745 -4.275
549 HG3 ARG 73 2HG ARG 73 7.588 1.883 -2.874
550 HD2 ARG 73 1HD ARG 73 9.720 1.416 -2.058
551 HD3 ARG 73 2HD ARG 73 10.433 1.315 -3.655
552 HE ARG 73 HE ARG 73 9.709 3.993 -3.421
553 HH11 ARG 73 2HH2 ARG 73 11.692 1.789 -1.526
554 HH12 ARG 73 1HH2 ARG 73 12.740 3.035 -0.936
555 HH21 ARG 73 2HH1 ARG 73 11.091 5.638 -2.643
556 HH22 ARG 73 1HH1 ARG 73 12.396 5.240 -1.576
557 H GLU 74 H GLU 74 9.167 -1.826 -3.359
558 HA GLU 74 HA GLU 74 8.438 -2.134 -0.594
559 HB2 GLU 74 1HB GLU 74 9.443 -3.912 -2.353
560 HB3 GLU 74 2HB GLU 74 10.964 -3.308 -1.727
561 HG2 GLU 74 1HG GLU 74 9.844 -3.680 0.644
562 HG3 GLU 74 2HG GLU 74 8.734 -4.716 -0.230
563 H ARG 75 H ARG 75 9.137 -0.694 0.918
564 HA ARG 75 HA ARG 75 10.824 1.349 0.402
565 HB2 ARG 75 1HB ARG 75 9.292 1.048 2.419
566 HB3 ARG 75 2HB ARG 75 10.494 -0.020 3.118
567 HG2 ARG 75 1HG ARG 75 12.187 1.885 2.908
568 HG3 ARG 75 2HG ARG 75 10.867 2.929 2.422
569 HD2 ARG 75 1HD ARG 75 9.758 2.701 4.555
570 HD3 ARG 75 2HD ARG 75 10.753 1.334 5.016
571 HE ARG 75 HE ARG 75 12.349 3.715 4.481
572 HH11 ARG 75 2HH2 ARG 75 10.395 2.089 6.915
573 HH12 ARG 75 1HH2 ARG 75 11.177 2.870 8.249
574 HH21 ARG 75 2HH1 ARG 75 13.381 4.746 6.240
575 HH22 ARG 75 1HH1 ARG 75 12.887 4.392 7.862
576 H SER 76 H SER 76 11.603 -1.745 2.163
577 HA SER 76 HA SER 76 13.517 -2.644 2.722
578 HB2 SER 76 1HB SER 76 15.134 -2.942 0.756
579 HB3 SER 76 2HB SER 76 13.487 -3.478 0.488
580 HG SER 76 HG SER 76 14.198 -0.791 -0.209
581 H GLY 77 H GLY 77 13.939 -0.808 4.276
582 HA2 GLY 77 1HA GLY 77 15.286 1.494 3.851
583 HA3 GLY 77 2HA GLY 77 15.502 0.487 5.269
584 HA PRO 78 HA PRO 78 19.312 0.523 2.564
585 HB2 PRO 78 1HB PRO 78 20.732 2.659 3.507
586 HB3 PRO 78 2HB PRO 78 19.765 2.721 2.047
587 HG2 PRO 78 1HG PRO 78 19.178 3.863 4.710
588 HG3 PRO 78 2HG PRO 78 18.459 4.261 3.162
589 HD2 PRO 78 1HD PRO 78 17.290 2.662 5.237
590 HD3 PRO 78 2HD PRO 78 16.622 2.965 3.646
591 H SER 79 H SER 79 21.691 0.272 3.244
592 HA SER 79 HA SER 79 21.522 -0.908 5.902
593 HB2 SER 79 1HB SER 79 22.640 -1.826 3.355
594 HB3 SER 79 2HB SER 79 23.854 -1.867 4.618
595 HG SER 79 HG SER 79 21.267 -2.890 5.249
596 H SER 80 H SER 80 23.800 -0.963 7.047
597 HA SER 80 HA SER 80 24.549 1.603 7.550
598 HB2 SER 80 1HB SER 80 26.213 -0.934 7.879
599 HB3 SER 80 2HB SER 80 26.544 0.591 8.677
600 HG SER 80 HG SER 80 23.992 0.112 9.232
601 H GLY 81 H GLY 81 26.591 2.783 7.081
602 HA2 GLY 81 1HA GLY 81 27.271 2.641 4.305
603 HA3 GLY 81 2HA GLY 81 27.910 3.740 5.511
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -20.465 -14.378 8.020
2 HA2 GLY 1 1HA GLY 1 -18.929 -13.454 10.371
3 HA3 GLY 1 2HA GLY 1 -19.242 -15.126 9.949
4 H SER 2 H SER 2 -16.990 -12.583 9.760
5 HA SER 2 HA SER 2 -15.814 -13.467 7.301
6 HB2 SER 2 1HB SER 2 -14.335 -11.615 7.530
7 HB3 SER 2 2HB SER 2 -15.875 -11.041 8.137
8 HG SER 2 HG SER 2 -13.515 -11.074 9.423
9 H SER 3 H SER 3 -14.474 -15.230 7.229
10 HA SER 3 HA SER 3 -12.510 -15.524 9.276
11 HB2 SER 3 1HB SER 3 -14.799 -16.783 9.897
12 HB3 SER 3 2HB SER 3 -14.165 -17.997 8.803
13 HG SER 3 HG SER 3 -13.478 -17.545 11.386
14 H GLY 4 H GLY 4 -10.925 -17.323 8.675
15 HA2 GLY 4 1HA GLY 4 -10.729 -17.464 5.750
16 HA3 GLY 4 2HA GLY 4 -9.436 -17.691 6.910
17 H SER 5 H SER 5 -8.709 -19.754 6.410
18 HA SER 5 HA SER 5 -10.342 -21.880 7.279
19 HB2 SER 5 1HB SER 5 -10.317 -21.234 4.420
20 HB3 SER 5 2HB SER 5 -9.697 -22.848 4.705
21 HG SER 5 HG SER 5 -12.288 -21.774 5.292
22 H SER 6 H SER 6 -8.776 -22.872 8.506
23 HA SER 6 HA SER 6 -6.096 -22.584 8.132
24 HB2 SER 6 1HB SER 6 -7.872 -24.162 9.799
25 HB3 SER 6 2HB SER 6 -6.514 -25.155 9.310
26 HG SER 6 HG SER 6 -5.991 -24.024 11.244
27 H GLY 7 H GLY 7 -4.744 -23.285 6.523
28 HA2 GLY 7 1HA GLY 7 -4.806 -25.969 5.569
29 HA3 GLY 7 2HA GLY 7 -5.502 -24.868 4.396
30 H ARG 8 H ARG 8 -4.071 -24.140 2.893
31 HA ARG 8 HA ARG 8 -1.403 -23.530 3.858
32 HB2 ARG 8 1HB ARG 8 -0.481 -24.456 1.685
33 HB3 ARG 8 2HB ARG 8 -1.180 -25.681 2.725
34 HG2 ARG 8 1HG ARG 8 -2.578 -26.287 1.050
35 HG3 ARG 8 2HG ARG 8 -3.329 -24.705 1.118
36 HD2 ARG 8 1HD ARG 8 -1.103 -24.036 -0.294
37 HD3 ARG 8 2HD ARG 8 -1.208 -25.723 -0.755
38 HE ARG 8 HE ARG 8 -3.808 -24.501 -0.975
39 HH11 ARG 8 2HH2 ARG 8 -0.672 -24.592 -2.569
40 HH12 ARG 8 1HH2 ARG 8 -1.311 -24.202 -4.131
41 HH21 ARG 8 2HH1 ARG 8 -4.652 -23.986 -3.036
42 HH22 ARG 8 1HH1 ARG 8 -3.590 -23.855 -4.398
43 H MET 9 H MET 9 -0.188 -22.085 2.188
44 HA MET 9 HA MET 9 -1.709 -20.797 0.216
45 HB2 MET 9 1HB MET 9 -1.412 -18.480 1.548
46 HB3 MET 9 2HB MET 9 -2.833 -19.473 1.808
47 HG2 MET 9 1HG MET 9 -2.100 -20.233 3.905
48 HG3 MET 9 2HG MET 9 -0.404 -20.042 3.506
49 HE1 MET 9 1HE MET 9 0.981 -17.759 4.366
50 HE2 MET 9 2HE MET 9 0.444 -17.745 2.669
51 HE3 MET 9 3HE MET 9 0.234 -16.296 3.680
52 HA PRO 10 HA PRO 10 2.378 -19.811 -0.874
53 HB2 PRO 10 1HB PRO 10 1.948 -18.044 -2.914
54 HB3 PRO 10 2HB PRO 10 1.849 -19.782 -3.114
55 HG2 PRO 10 1HG PRO 10 -0.344 -17.806 -2.959
56 HG3 PRO 10 2HG PRO 10 -0.387 -19.447 -3.572
57 HD2 PRO 10 1HD PRO 10 -1.384 -18.534 -1.043
58 HD3 PRO 10 2HD PRO 10 -1.321 -20.191 -1.608
59 H THR 11 H THR 11 4.086 -18.187 -0.942
60 HA THR 11 HA THR 11 3.290 -15.989 0.841
61 HB THR 11 HB THR 11 5.751 -16.001 1.404
62 HG1 THR 11 1HG THR 11 6.716 -16.896 -0.431
63 HG21 THR 11 1HG2 THR 11 4.219 -17.544 2.698
64 HG22 THR 11 2HG2 THR 11 4.527 -18.808 1.484
65 HG23 THR 11 3HG2 THR 11 5.857 -18.213 2.505
66 H ARG 12 H ARG 12 2.315 -15.142 -1.317
67 HA ARG 12 HA ARG 12 4.460 -13.683 -2.640
68 HB2 ARG 12 1HB ARG 12 1.842 -14.812 -3.701
69 HB3 ARG 12 2HB ARG 12 2.620 -13.477 -4.528
70 HG2 ARG 12 1HG ARG 12 4.307 -15.877 -3.815
71 HG3 ARG 12 2HG ARG 12 3.180 -16.031 -5.148
72 HD2 ARG 12 1HD ARG 12 4.380 -13.559 -5.664
73 HD3 ARG 12 2HD ARG 12 5.706 -14.487 -4.991
74 HE ARG 12 HE ARG 12 4.303 -15.014 -7.528
75 HH11 ARG 12 2HH2 ARG 12 6.471 -16.285 -5.065
76 HH12 ARG 12 1HH2 ARG 12 7.151 -17.492 -6.104
77 HH21 ARG 12 2HH1 ARG 12 5.200 -16.606 -8.900
78 HH22 ARG 12 1HH1 ARG 12 6.423 -17.676 -8.301
79 H ARG 13 H ARG 13 3.416 -11.552 -3.753
80 HA ARG 13 HA ARG 13 2.577 -9.587 -3.447
81 HB2 ARG 13 1HB ARG 13 0.373 -10.908 -1.787
82 HB3 ARG 13 2HB ARG 13 0.270 -9.356 -2.594
83 HG2 ARG 13 1HG ARG 13 0.787 -11.966 -4.089
84 HG3 ARG 13 2HG ARG 13 -0.823 -11.327 -3.823
85 HD2 ARG 13 1HD ARG 13 -0.426 -10.309 -5.859
86 HD3 ARG 13 2HD ARG 13 0.318 -9.089 -4.846
87 HE ARG 13 HE ARG 13 2.332 -10.997 -5.346
88 HH11 ARG 13 2HH2 ARG 13 0.332 -8.806 -7.239
89 HH12 ARG 13 1HH2 ARG 13 1.507 -8.616 -8.498
90 HH21 ARG 13 2HH1 ARG 13 3.882 -10.747 -7.006
91 HH22 ARG 13 1HH1 ARG 13 3.540 -9.728 -8.364
92 H TRP 14 H TRP 14 1.814 -7.891 -1.638
93 HA TRP 14 HA TRP 14 3.682 -8.216 0.534
94 HB2 TRP 14 1HB TRP 14 1.914 -5.945 -0.373
95 HB3 TRP 14 2HB TRP 14 2.892 -5.875 1.080
96 HD1 TRP 14 HD TRP 14 5.644 -7.049 0.073
97 HE1 TRP 14 1HE TRP 14 7.180 -5.840 -1.699
98 HE3 TRP 14 3HE TRP 14 1.948 -4.221 -1.977
99 HZ2 TRP 14 2HZ TRP 14 6.687 -3.880 -3.715
100 HZ3 TRP 14 3HZ TRP 14 2.561 -2.686 -3.843
101 HH2 TRP 14 HH TRP 14 4.836 -2.489 -4.714
102 H ALA 15 H ALA 15 3.139 -8.787 2.621
103 HA ALA 15 HA ALA 15 0.413 -9.601 3.074
104 HB1 ALA 15 1HB ALA 15 3.045 -10.272 4.031
105 HB2 ALA 15 2HB ALA 15 2.023 -9.829 5.420
106 HB3 ALA 15 3HB ALA 15 1.506 -11.122 4.312
107 HA PRO 16 HA PRO 16 -0.775 -6.218 5.496
108 HB2 PRO 16 1HB PRO 16 -2.189 -7.301 7.569
109 HB3 PRO 16 2HB PRO 16 -2.848 -7.109 5.956
110 HG2 PRO 16 1HG PRO 16 -1.910 -9.573 7.294
111 HG3 PRO 16 2HG PRO 16 -2.943 -9.412 5.887
112 HD2 PRO 16 1HD PRO 16 -0.165 -10.126 5.904
113 HD3 PRO 16 2HD PRO 16 -1.168 -9.853 4.494
114 H GLY 17 H GLY 17 0.710 -4.896 6.334
115 HA2 GLY 17 1HA GLY 17 1.374 -4.274 8.661
116 HA3 GLY 17 2HA GLY 17 2.004 -5.904 8.796
117 H THR 18 H THR 18 2.583 -5.459 5.646
118 HA THR 18 HA THR 18 5.327 -4.736 6.095
119 HB THR 18 HB THR 18 3.615 -5.641 3.742
120 HG1 THR 18 1HG THR 18 4.443 -7.169 5.350
121 HG21 THR 18 1HG2 THR 18 5.201 -4.318 2.551
122 HG22 THR 18 2HG2 THR 18 6.468 -4.583 3.772
123 HG23 THR 18 3HG2 THR 18 6.010 -5.899 2.665
124 H GLN 19 H GLN 19 6.463 -2.942 5.346
125 HA GLN 19 HA GLN 19 4.740 -0.654 4.989
126 HB2 GLN 19 1HB GLN 19 7.710 -0.945 5.592
127 HB3 GLN 19 2HB GLN 19 6.959 0.608 5.282
128 HG2 GLN 19 1HG GLN 19 5.247 -0.072 7.147
129 HG3 GLN 19 2HG GLN 19 6.409 -1.313 7.574
130 HE21 GLN 19 1HE2 GLN 19 5.379 1.476 8.583
131 HE22 GLN 19 2HE2 GLN 19 6.815 2.260 9.150
132 H CYS 20 H CYS 20 4.275 0.084 2.967
133 HA CYS 20 HA CYS 20 6.185 -0.603 0.858
134 HB2 CYS 20 1HB CYS 20 3.218 -0.002 0.617
135 HB3 CYS 20 2HB CYS 20 4.294 -0.374 -0.714
136 HG CYS 20 HG CYS 20 3.833 -2.244 1.982
137 H ILE 21 H ILE 21 6.577 1.108 -0.789
138 HA ILE 21 HA ILE 21 6.119 3.782 0.340
139 HB ILE 21 HB ILE 21 8.408 2.966 -1.441
140 HG12 ILE 21 1HG1 ILE 21 8.707 1.607 0.473
141 HG13 ILE 21 2HG1 ILE 21 9.776 2.981 0.673
142 HG21 ILE 21 1HG2 ILE 21 7.683 5.394 -1.249
143 HG22 ILE 21 2HG2 ILE 21 8.213 5.315 0.448
144 HG23 ILE 21 3HG2 ILE 21 9.383 5.034 -0.865
145 HD11 ILE 21 1HD1 ILE 21 7.446 3.907 1.865
146 HD12 ILE 21 2HD1 ILE 21 7.425 2.176 2.279
147 HD13 ILE 21 3HD1 ILE 21 8.821 3.183 2.734
148 H THR 22 H THR 22 5.570 5.486 -1.128
149 HA THR 22 HA THR 22 4.067 4.512 -3.396
150 HB THR 22 HB THR 22 3.441 7.009 -3.458
151 HG1 THR 22 1HG THR 22 4.745 8.242 -2.162
152 HG21 THR 22 1HG2 THR 22 3.139 5.353 -0.915
153 HG22 THR 22 2HG2 THR 22 2.447 6.989 -1.039
154 HG23 THR 22 3HG2 THR 22 1.906 5.707 -2.149
155 H LYS 23 H LYS 23 4.552 4.661 -5.524
156 HA LYS 23 HA LYS 23 7.267 5.262 -6.163
157 HB2 LYS 23 1HB LYS 23 4.870 4.214 -7.630
158 HB3 LYS 23 2HB LYS 23 6.223 4.833 -8.555
159 HG2 LYS 23 1HG LYS 23 7.302 3.187 -6.451
160 HG3 LYS 23 2HG LYS 23 5.991 2.293 -7.194
161 HD2 LYS 23 1HD LYS 23 7.729 3.659 -9.168
162 HD3 LYS 23 2HD LYS 23 8.592 2.490 -8.189
163 HE2 LYS 23 1HE LYS 23 6.087 1.282 -8.924
164 HE3 LYS 23 2HE LYS 23 6.751 2.005 -10.375
165 HZ1 LYS 23 1HZ LYS 23 8.520 0.464 -8.660
166 HZ2 LYS 23 2HZ LYS 23 7.479 -0.337 -9.630
167 HZ3 LYS 23 3HZ LYS 23 8.579 0.681 -10.277
168 H CYS 24 H CYS 24 4.115 6.906 -6.344
169 HA CYS 24 HA CYS 24 5.565 9.274 -7.244
170 HB2 CYS 24 1HB CYS 24 3.003 8.190 -8.441
171 HB3 CYS 24 2HB CYS 24 3.478 9.870 -8.602
172 HG CYS 24 HG CYS 24 5.201 9.654 -10.241
173 H GLU 25 H GLU 25 3.787 11.235 -6.971
174 HA GLU 25 HA GLU 25 2.823 10.864 -4.256
175 HB2 GLU 25 1HB GLU 25 2.936 13.292 -4.047
176 HB3 GLU 25 2HB GLU 25 4.458 12.705 -4.686
177 HG2 GLU 25 1HG GLU 25 2.959 13.143 -7.004
178 HG3 GLU 25 2HG GLU 25 2.432 14.448 -5.960
179 H HIS 26 H HIS 26 0.655 11.318 -3.672
180 HA HIS 26 HA HIS 26 -1.105 11.923 -5.933
181 HB2 HIS 26 1HB HIS 26 -0.945 9.455 -4.847
182 HB3 HIS 26 2HB HIS 26 -2.130 10.162 -3.766
183 HD1 HIS 26 1HD HIS 26 -1.910 10.938 -7.491
184 HD2 HIS 26 2HD HIS 26 -4.373 8.890 -4.783
185 HE1 HIS 26 1HE HIS 26 -3.999 10.265 -8.793
186 H THR 27 H THR 27 -1.787 13.981 -5.559
187 HA THR 27 HA THR 27 -2.235 14.803 -2.793
188 HB THR 27 HB THR 27 -2.355 17.074 -3.872
189 HG1 THR 27 1HG THR 27 -3.039 16.767 -5.974
190 HG21 THR 27 1HG2 THR 27 -0.044 15.369 -3.821
191 HG22 THR 27 2HG2 THR 27 -0.028 16.214 -5.387
192 HG23 THR 27 3HG2 THR 27 -0.073 17.148 -3.872
193 H ARG 28 H ARG 28 -3.977 14.182 -5.854
194 HA ARG 28 HA ARG 28 -6.410 14.554 -4.299
195 HB2 ARG 28 1HB ARG 28 -5.971 15.106 -7.278
196 HB3 ARG 28 2HB ARG 28 -7.529 15.194 -6.479
197 HG2 ARG 28 1HG ARG 28 -5.502 16.752 -5.029
198 HG3 ARG 28 2HG ARG 28 -5.624 17.271 -6.698
199 HD2 ARG 28 1HD ARG 28 -7.597 18.319 -6.284
200 HD3 ARG 28 2HD ARG 28 -8.303 16.840 -5.664
201 HE ARG 28 HE ARG 28 -6.602 17.789 -3.625
202 HH11 ARG 28 2HH2 ARG 28 -9.460 18.927 -5.334
203 HH12 ARG 28 1HH2 ARG 28 -10.036 19.874 -4.003
204 HH21 ARG 28 2HH1 ARG 28 -7.361 19.038 -1.868
205 HH22 ARG 28 1HH1 ARG 28 -8.834 19.937 -2.018
206 HA PRO 29 HA PRO 29 -6.415 10.282 -5.676
207 HB2 PRO 29 1HB PRO 29 -7.662 9.240 -3.479
208 HB3 PRO 29 2HB PRO 29 -5.920 9.377 -3.617
209 HG2 PRO 29 1HG PRO 29 -7.788 11.023 -2.023
210 HG3 PRO 29 2HG PRO 29 -6.051 10.861 -1.856
211 HD2 PRO 29 1HD PRO 29 -7.463 13.063 -3.033
212 HD3 PRO 29 2HD PRO 29 -5.725 12.845 -2.970
213 H LYS 30 H LYS 30 -8.244 8.544 -5.800
214 HA LYS 30 HA LYS 30 -10.272 9.797 -7.277
215 HB2 LYS 30 1HB LYS 30 -9.347 7.141 -6.732
216 HB3 LYS 30 2HB LYS 30 -11.079 7.180 -6.474
217 HG2 LYS 30 1HG LYS 30 -10.880 8.660 -8.793
218 HG3 LYS 30 2HG LYS 30 -9.528 7.563 -8.994
219 HD2 LYS 30 1HD LYS 30 -11.559 5.872 -8.071
220 HD3 LYS 30 2HD LYS 30 -12.431 7.002 -9.088
221 HE2 LYS 30 1HE LYS 30 -11.479 6.203 -11.017
222 HE3 LYS 30 2HE LYS 30 -9.887 6.076 -10.297
223 HZ1 LYS 30 1HZ LYS 30 -12.003 4.205 -9.551
224 HZ2 LYS 30 2HZ LYS 30 -11.107 3.958 -10.894
225 HZ3 LYS 30 3HZ LYS 30 -10.386 4.015 -9.429
226 HA PRO 31 HA PRO 31 -13.386 10.480 -4.353
227 HB2 PRO 31 1HB PRO 31 -15.683 9.419 -5.384
228 HB3 PRO 31 2HB PRO 31 -15.003 10.940 -5.927
229 HG2 PRO 31 1HG PRO 31 -14.973 8.311 -7.277
230 HG3 PRO 31 2HG PRO 31 -14.691 9.899 -7.961
231 HD2 PRO 31 1HD PRO 31 -12.708 7.927 -7.325
232 HD3 PRO 31 2HD PRO 31 -12.418 9.557 -7.900
233 H GLY 32 H GLY 32 -12.534 9.442 -2.540
234 HA2 GLY 32 1HA GLY 32 -13.543 8.142 -0.770
235 HA3 GLY 32 2HA GLY 32 -14.003 6.941 -1.960
236 H GLU 33 H GLU 33 -10.869 8.539 -2.309
237 HA GLU 33 HA GLU 33 -9.638 6.079 -1.334
238 HB2 GLU 33 1HB GLU 33 -9.077 7.788 -3.754
239 HB3 GLU 33 2HB GLU 33 -7.737 6.944 -3.005
240 HG2 GLU 33 1HG GLU 33 -9.228 4.815 -3.110
241 HG3 GLU 33 2HG GLU 33 -10.273 5.732 -4.178
242 H LEU 34 H LEU 34 -7.111 6.570 -0.883
243 HA LEU 34 HA LEU 34 -7.144 8.868 0.922
244 HB2 LEU 34 1HB LEU 34 -6.626 7.060 2.202
245 HB3 LEU 34 2HB LEU 34 -5.824 6.207 0.898
246 HG LEU 34 HG LEU 34 -3.990 8.051 1.139
247 HD11 LEU 34 1HD1 LEU 34 -3.973 9.419 2.916
248 HD12 LEU 34 2HD1 LEU 34 -5.722 9.094 2.972
249 HD13 LEU 34 3HD1 LEU 34 -4.612 8.173 4.015
250 HD21 LEU 34 1HD2 LEU 34 -3.725 6.389 3.514
251 HD22 LEU 34 2HD2 LEU 34 -4.296 5.464 2.105
252 HD23 LEU 34 3HD2 LEU 34 -2.782 6.394 2.004
253 H ALA 35 H ALA 35 -5.140 10.193 1.086
254 HA ALA 35 HA ALA 35 -3.897 10.416 -1.570
255 HB1 ALA 35 1HB ALA 35 -5.436 12.271 -0.277
256 HB2 ALA 35 2HB ALA 35 -3.813 12.724 0.297
257 HB3 ALA 35 3HB ALA 35 -4.158 12.675 -1.448
258 H PHE 36 H PHE 36 -1.613 11.329 -1.498
259 HA PHE 36 HA PHE 36 -0.136 11.232 0.876
260 HB2 PHE 36 1HB PHE 36 1.131 9.094 0.282
261 HB3 PHE 36 2HB PHE 36 -0.540 8.795 0.716
262 HD1 PHE 36 1HD PHE 36 1.725 9.197 -2.195
263 HD2 PHE 36 2HD PHE 36 -1.992 7.715 -0.781
264 HE1 PHE 36 1HE PHE 36 1.370 8.006 -4.375
265 HE2 PHE 36 2HE PHE 36 -2.346 6.524 -2.961
266 HZ PHE 36 HZ PHE 36 -0.661 6.683 -4.733
267 H ARG 37 H ARG 37 2.372 11.004 0.255
268 HA ARG 37 HA ARG 37 2.634 12.483 -2.238
269 HB2 ARG 37 1HB ARG 37 4.232 12.587 0.360
270 HB3 ARG 37 2HB ARG 37 4.843 13.295 -1.122
271 HG2 ARG 37 1HG ARG 37 2.065 13.996 -0.108
272 HG3 ARG 37 2HG ARG 37 3.478 14.811 0.532
273 HD2 ARG 37 1HD ARG 37 2.735 14.676 -2.432
274 HD3 ARG 37 2HD ARG 37 2.445 16.054 -1.389
275 HE ARG 37 HE ARG 37 5.230 15.273 -1.281
276 HH11 ARG 37 2HH2 ARG 37 2.883 16.946 -3.299
277 HH12 ARG 37 1HH2 ARG 37 4.070 17.936 -4.081
278 HH21 ARG 37 2HH1 ARG 37 6.797 16.579 -2.312
279 HH22 ARG 37 1HH1 ARG 37 6.311 17.726 -3.516
280 H LYS 38 H LYS 38 5.246 12.312 -2.889
281 HA LYS 38 HA LYS 38 5.561 9.532 -3.507
282 HB2 LYS 38 1HB LYS 38 5.977 11.439 -5.102
283 HB3 LYS 38 2HB LYS 38 7.397 11.852 -4.161
284 HG2 LYS 38 1HG LYS 38 8.142 9.385 -4.491
285 HG3 LYS 38 2HG LYS 38 6.872 9.272 -5.693
286 HD2 LYS 38 1HD LYS 38 8.820 11.578 -5.865
287 HD3 LYS 38 2HD LYS 38 9.357 9.991 -6.377
288 HE2 LYS 38 1HE LYS 38 7.852 9.897 -8.173
289 HE3 LYS 38 2HE LYS 38 6.687 10.951 -7.397
290 HZ1 LYS 38 1HZ LYS 38 8.586 11.671 -9.220
291 HZ2 LYS 38 2HZ LYS 38 7.616 12.675 -8.372
292 HZ3 LYS 38 3HZ LYS 38 9.106 12.311 -7.811
293 H GLY 39 H GLY 39 6.845 8.052 -2.504
294 HA2 GLY 39 1HA GLY 39 8.483 7.222 -1.180
295 HA3 GLY 39 2HA GLY 39 9.138 8.834 -0.973
296 H ASP 40 H ASP 40 5.854 7.467 -0.229
297 HA ASP 40 HA ASP 40 6.209 8.541 2.446
298 HB2 ASP 40 1HB ASP 40 4.009 8.435 0.561
299 HB3 ASP 40 2HB ASP 40 3.540 7.558 2.004
300 H VAL 41 H VAL 41 5.780 7.143 4.296
301 HA VAL 41 HA VAL 41 6.001 4.311 3.647
302 HB VAL 41 HB VAL 41 6.469 5.952 6.135
303 HG11 VAL 41 1HG1 VAL 41 5.800 4.093 7.249
304 HG12 VAL 41 2HG1 VAL 41 6.020 3.032 5.836
305 HG13 VAL 41 3HG1 VAL 41 7.426 3.513 6.816
306 HG21 VAL 41 1HG2 VAL 41 8.140 4.863 3.976
307 HG22 VAL 41 2HG2 VAL 41 8.473 6.167 5.141
308 HG23 VAL 41 3HG2 VAL 41 8.733 4.469 5.608
309 H VAL 42 H VAL 42 4.383 2.843 4.019
310 HA VAL 42 HA VAL 42 2.096 3.773 5.591
311 HB VAL 42 HB VAL 42 0.638 2.652 3.862
312 HG11 VAL 42 1HG1 VAL 42 0.703 5.069 4.079
313 HG12 VAL 42 2HG1 VAL 42 2.174 5.153 3.080
314 HG13 VAL 42 3HG1 VAL 42 0.635 4.629 2.356
315 HG21 VAL 42 1HG2 VAL 42 2.667 3.148 1.758
316 HG22 VAL 42 2HG2 VAL 42 2.951 1.721 2.784
317 HG23 VAL 42 3HG2 VAL 42 1.424 1.880 1.884
318 H THR 43 H THR 43 0.505 1.595 5.606
319 HA THR 43 HA THR 43 2.218 -0.722 6.108
320 HB THR 43 HB THR 43 0.325 0.610 8.114
321 HG1 THR 43 1HG THR 43 2.527 1.452 7.925
322 HG21 THR 43 1HG2 THR 43 1.634 -1.301 9.531
323 HG22 THR 43 2HG2 THR 43 0.052 -1.614 8.779
324 HG23 THR 43 3HG2 THR 43 1.544 -2.142 7.965
325 H ILE 44 H ILE 44 1.445 -2.411 5.026
326 HA ILE 44 HA ILE 44 -1.012 -2.327 3.718
327 HB ILE 44 HB ILE 44 0.826 -4.620 4.404
328 HG12 ILE 44 1HG1 ILE 44 1.708 -2.726 2.981
329 HG13 ILE 44 2HG1 ILE 44 1.781 -4.324 2.267
330 HG21 ILE 44 1HG2 ILE 44 -0.594 -6.076 3.516
331 HG22 ILE 44 2HG2 ILE 44 -1.833 -4.797 3.528
332 HG23 ILE 44 3HG2 ILE 44 -0.834 -5.054 2.078
333 HD11 ILE 44 1HD1 ILE 44 0.436 -3.706 0.550
334 HD12 ILE 44 2HD1 ILE 44 -0.784 -3.049 1.667
335 HD13 ILE 44 3HD1 ILE 44 0.581 -2.034 1.143
336 H LEU 45 H LEU 45 -2.965 -2.203 4.691
337 HA LEU 45 HA LEU 45 -3.322 -3.342 7.304
338 HB2 LEU 45 1HB LEU 45 -5.268 -1.959 5.452
339 HB3 LEU 45 2HB LEU 45 -5.571 -2.386 7.124
340 HG LEU 45 HG LEU 45 -3.400 -0.473 6.226
341 HD11 LEU 45 1HD1 LEU 45 -4.805 1.289 6.372
342 HD12 LEU 45 2HD1 LEU 45 -6.026 0.061 5.961
343 HD13 LEU 45 3HD1 LEU 45 -5.788 0.547 7.657
344 HD21 LEU 45 1HD2 LEU 45 -4.166 -1.641 8.821
345 HD22 LEU 45 2HD2 LEU 45 -2.626 -0.931 8.282
346 HD23 LEU 45 3HD2 LEU 45 -3.951 0.126 8.827
347 H GLU 46 H GLU 46 -5.029 -3.755 4.116
348 HA GLU 46 HA GLU 46 -5.037 -6.589 4.613
349 HB2 GLU 46 1HB GLU 46 -7.207 -5.276 5.537
350 HB3 GLU 46 2HB GLU 46 -7.704 -5.423 3.863
351 HG2 GLU 46 1HG GLU 46 -6.681 -7.977 4.498
352 HG3 GLU 46 2HG GLU 46 -7.544 -7.494 5.945
353 H ALA 47 H ALA 47 -5.920 -7.800 2.621
354 HA ALA 47 HA ALA 47 -5.324 -6.198 0.228
355 HB1 ALA 47 1HB ALA 47 -3.570 -7.756 0.426
356 HB2 ALA 47 2HB ALA 47 -4.650 -9.038 1.026
357 HB3 ALA 47 3HB ALA 47 -4.706 -8.555 -0.687
358 H CYS 48 H CYS 48 -6.790 -6.251 -1.468
359 HA CYS 48 HA CYS 48 -9.167 -7.891 -0.967
360 HB2 CYS 48 1HB CYS 48 -8.984 -5.083 -1.228
361 HB3 CYS 48 2HB CYS 48 -9.684 -5.652 -2.731
362 HG CYS 48 HG CYS 48 -11.232 -7.474 -1.196
363 H GLU 49 H GLU 49 -10.299 -8.574 -3.045
364 HA GLU 49 HA GLU 49 -8.393 -9.653 -4.794
365 HB2 GLU 49 1HB GLU 49 -10.953 -10.301 -4.093
366 HB3 GLU 49 2HB GLU 49 -11.256 -9.554 -5.649
367 HG2 GLU 49 1HG GLU 49 -10.260 -11.263 -6.812
368 HG3 GLU 49 2HG GLU 49 -8.938 -11.405 -5.671
369 H ASN 50 H ASN 50 -7.413 -8.694 -6.519
370 HA ASN 50 HA ASN 50 -8.691 -7.367 -8.490
371 HB2 ASN 50 1HB ASN 50 -8.465 -5.663 -6.189
372 HB3 ASN 50 2HB ASN 50 -7.287 -5.077 -7.346
373 HD21 ASN 50 1HD2 ASN 50 -7.924 -3.852 -8.967
374 HD22 ASN 50 2HD2 ASN 50 -9.557 -3.565 -9.469
375 H LYS 51 H LYS 51 -5.813 -7.335 -6.303
376 HA LYS 51 HA LYS 51 -3.651 -7.567 -6.682
377 HB2 LYS 51 1HB LYS 51 -4.800 -8.793 -9.150
378 HB3 LYS 51 2HB LYS 51 -3.087 -8.427 -9.155
379 HG2 LYS 51 1HG LYS 51 -2.609 -10.121 -7.705
380 HG3 LYS 51 2HG LYS 51 -3.908 -9.669 -6.618
381 HD2 LYS 51 1HD LYS 51 -5.549 -10.900 -7.912
382 HD3 LYS 51 2HD LYS 51 -4.434 -11.120 -9.246
383 HE2 LYS 51 1HE LYS 51 -2.983 -12.559 -7.838
384 HE3 LYS 51 2HE LYS 51 -4.016 -12.283 -6.450
385 HZ1 LYS 51 1HZ LYS 51 -5.295 -13.910 -7.150
386 HZ2 LYS 51 2HZ LYS 51 -5.592 -13.154 -8.567
387 HZ3 LYS 51 3HZ LYS 51 -4.325 -14.175 -8.436
388 H SER 52 H SER 52 -5.178 -5.042 -7.208
389 HA SER 52 HA SER 52 -2.986 -3.688 -8.438
390 HB2 SER 52 1HB SER 52 -5.124 -4.382 -10.096
391 HB3 SER 52 2HB SER 52 -5.523 -2.742 -9.623
392 HG SER 52 HG SER 52 -4.214 -2.385 -11.344
393 H TRP 53 H TRP 53 -4.452 -3.968 -5.798
394 HA TRP 53 HA TRP 53 -4.555 -1.181 -5.196
395 HB2 TRP 53 1HB TRP 53 -7.103 -2.759 -5.374
396 HB3 TRP 53 2HB TRP 53 -6.934 -1.471 -4.197
397 HD1 TRP 53 HD TRP 53 -7.716 -2.008 -7.833
398 HE1 TRP 53 1HE TRP 53 -8.051 0.255 -9.147
399 HE3 TRP 53 3HE TRP 53 -5.882 1.000 -4.167
400 HZ2 TRP 53 2HZ TRP 53 -7.523 2.989 -8.520
401 HZ3 TRP 53 3HZ TRP 53 -5.826 3.455 -4.599
402 HH2 TRP 53 HH TRP 53 -6.608 4.458 -6.686
403 H TYR 54 H TYR 54 -4.452 -0.873 -2.871
404 HA TYR 54 HA TYR 54 -4.544 -3.242 -1.212
405 HB2 TYR 54 1HB TYR 54 -2.093 -1.653 -2.085
406 HB3 TYR 54 2HB TYR 54 -2.118 -2.254 -0.439
407 HD1 TYR 54 1HD TYR 54 -2.872 -4.867 -0.293
408 HD2 TYR 54 2HD TYR 54 -1.033 -2.976 -3.662
409 HE1 TYR 54 1HE TYR 54 -2.033 -7.123 -1.111
410 HE2 TYR 54 2HE TYR 54 -0.200 -5.239 -4.469
411 HH TYR 54 HH TYR 54 -1.405 -8.109 -3.336
412 H ARG 55 H ARG 55 -5.356 -2.718 0.767
413 HA ARG 55 HA ARG 55 -5.752 0.070 1.266
414 HB2 ARG 55 1HB ARG 55 -7.585 -1.595 1.643
415 HB3 ARG 55 2HB ARG 55 -6.611 -2.401 2.856
416 HG2 ARG 55 1HG ARG 55 -6.505 -0.032 4.011
417 HG3 ARG 55 2HG ARG 55 -7.871 0.357 2.984
418 HD2 ARG 55 1HD ARG 55 -8.509 -2.180 4.073
419 HD3 ARG 55 2HD ARG 55 -7.789 -1.301 5.407
420 HE ARG 55 HE ARG 55 -9.531 0.550 4.301
421 HH11 ARG 55 2HH2 ARG 55 -9.891 -2.750 5.469
422 HH12 ARG 55 1HH2 ARG 55 -11.543 -2.537 5.943
423 HH21 ARG 55 2HH1 ARG 55 -11.711 0.831 4.927
424 HH22 ARG 55 1HH1 ARG 55 -12.585 -0.487 5.632
425 H VAL 56 H VAL 56 -4.061 1.179 2.216
426 HA VAL 56 HA VAL 56 -2.653 -0.203 4.395
427 HB VAL 56 HB VAL 56 -0.657 0.925 3.776
428 HG11 VAL 56 1HG1 VAL 56 -1.716 -1.064 2.306
429 HG12 VAL 56 2HG1 VAL 56 -1.542 0.169 1.034
430 HG13 VAL 56 3HG1 VAL 56 -0.120 -0.352 1.969
431 HG21 VAL 56 1HG2 VAL 56 -0.508 2.492 1.887
432 HG22 VAL 56 2HG2 VAL 56 -2.268 2.375 1.648
433 HG23 VAL 56 3HG2 VAL 56 -1.619 3.091 3.143
434 H LYS 57 H LYS 57 -1.486 1.638 5.819
435 HA LYS 57 HA LYS 57 -3.506 3.726 6.258
436 HB2 LYS 57 1HB LYS 57 -3.681 1.902 7.928
437 HB3 LYS 57 2HB LYS 57 -2.009 2.162 8.383
438 HG2 LYS 57 1HG LYS 57 -2.962 4.730 8.584
439 HG3 LYS 57 2HG LYS 57 -4.418 3.834 8.967
440 HD2 LYS 57 1HD LYS 57 -3.626 3.230 11.014
441 HD3 LYS 57 2HD LYS 57 -2.102 2.682 10.346
442 HE2 LYS 57 1HE LYS 57 -2.257 5.601 10.240
443 HE3 LYS 57 2HE LYS 57 -2.561 5.039 11.872
444 HZ1 LYS 57 1HZ LYS 57 -0.312 3.994 10.322
445 HZ2 LYS 57 2HZ LYS 57 -0.180 5.383 11.169
446 HZ3 LYS 57 3HZ LYS 57 -0.520 3.985 11.942
447 H HIS 58 H HIS 58 -2.720 5.760 6.128
448 HA HIS 58 HA HIS 58 0.054 6.112 5.655
449 HB2 HIS 58 1HB HIS 58 -2.088 7.409 4.789
450 HB3 HIS 58 2HB HIS 58 -1.805 8.396 6.208
451 HD2 HIS 58 2HD HIS 58 -0.505 8.024 2.620
452 HE1 HIS 58 1HE HIS 58 2.236 10.588 4.627
453 HE2 HIS 58 2HE HIS 58 1.492 9.586 2.360
454 H HIS 59 H HIS 59 1.642 6.352 7.142
455 HA HIS 59 HA HIS 59 1.095 6.315 9.863
456 HB2 HIS 59 1HB HIS 59 3.395 6.326 8.124
457 HB3 HIS 59 2HB HIS 59 3.678 7.413 9.468
458 HD1 HIS 59 1HD HIS 59 3.012 6.217 11.946
459 HD2 HIS 59 2HD HIS 59 4.019 3.738 8.716
460 HE1 HIS 59 1HE HIS 59 3.669 3.966 12.951
461 H THR 60 H THR 60 2.570 9.038 7.947
462 HA THR 60 HA THR 60 2.294 10.946 9.936
463 HB THR 60 HB THR 60 2.361 11.117 6.880
464 HG1 THR 60 1HG THR 60 4.221 11.423 9.132
465 HG21 THR 60 1HG2 THR 60 1.940 13.224 8.850
466 HG22 THR 60 2HG2 THR 60 3.565 13.385 8.144
467 HG23 THR 60 3HG2 THR 60 2.132 13.381 7.088
468 H SER 61 H SER 61 0.138 10.583 7.035
469 HA SER 61 HA SER 61 -1.720 12.375 7.867
470 HB2 SER 61 1HB SER 61 -1.486 10.341 5.846
471 HB3 SER 61 2HB SER 61 -3.080 10.191 6.559
472 HG SER 61 HG SER 61 -2.115 12.120 4.846
473 H GLY 62 H GLY 62 -1.978 8.749 8.184
474 HA2 GLY 62 1HA GLY 62 -2.572 7.641 10.149
475 HA3 GLY 62 2HA GLY 62 -3.261 9.117 10.794
476 H GLN 63 H GLN 63 -3.997 8.464 7.436
477 HA GLN 63 HA GLN 63 -6.690 7.761 8.276
478 HB2 GLN 63 1HB GLN 63 -5.847 8.690 5.506
479 HB3 GLN 63 2HB GLN 63 -7.460 8.684 6.190
480 HG2 GLN 63 1HG GLN 63 -6.919 10.467 7.736
481 HG3 GLN 63 2HG GLN 63 -5.202 10.319 7.419
482 HE21 GLN 63 1HE2 GLN 63 -4.386 11.811 6.180
483 HE22 GLN 63 2HE2 GLN 63 -5.178 12.677 4.906
484 H GLU 64 H GLU 64 -7.853 6.415 6.330
485 HA GLU 64 HA GLU 64 -5.984 4.353 5.491
486 HB2 GLU 64 1HB GLU 64 -8.592 3.956 7.002
487 HB3 GLU 64 2HB GLU 64 -7.883 2.674 6.040
488 HG2 GLU 64 1HG GLU 64 -5.879 2.627 7.389
489 HG3 GLU 64 2HG GLU 64 -6.275 4.148 8.165
490 H GLY 65 H GLY 65 -6.107 4.130 3.303
491 HA2 GLY 65 1HA GLY 65 -8.732 4.230 2.021
492 HA3 GLY 65 2HA GLY 65 -7.552 5.425 1.524
493 H LEU 66 H LEU 66 -8.340 3.826 -0.477
494 HA LEU 66 HA LEU 66 -6.777 1.432 -0.616
495 HB2 LEU 66 1HB LEU 66 -8.444 2.907 -2.659
496 HB3 LEU 66 2HB LEU 66 -7.660 1.365 -2.943
497 HG LEU 66 HG LEU 66 -9.752 1.854 -0.805
498 HD11 LEU 66 1HD1 LEU 66 -10.751 2.151 -2.991
499 HD12 LEU 66 2HD1 LEU 66 -10.044 0.619 -3.557
500 HD13 LEU 66 3HD1 LEU 66 -11.287 0.609 -2.283
501 HD21 LEU 66 1HD2 LEU 66 -8.186 0.023 -0.296
502 HD22 LEU 66 2HD2 LEU 66 -9.840 -0.564 -0.596
503 HD23 LEU 66 3HD2 LEU 66 -8.590 -0.743 -1.851
504 H LEU 67 H LEU 67 -5.037 1.030 -2.143
505 HA LEU 67 HA LEU 67 -3.765 3.439 -3.184
506 HB2 LEU 67 1HB LEU 67 -2.944 2.199 -0.809
507 HB3 LEU 67 2HB LEU 67 -1.807 1.652 -2.025
508 HG LEU 67 HG LEU 67 -2.451 4.538 -1.356
509 HD11 LEU 67 1HD1 LEU 67 -0.629 2.646 -0.191
510 HD12 LEU 67 2HD1 LEU 67 0.285 3.957 -0.974
511 HD13 LEU 67 3HD1 LEU 67 -0.943 4.340 0.256
512 HD21 LEU 67 1HD2 LEU 67 -1.950 4.554 -3.648
513 HD22 LEU 67 2HD2 LEU 67 -0.416 4.964 -2.844
514 HD23 LEU 67 3HD2 LEU 67 -0.679 3.320 -3.473
515 H ALA 68 H ALA 68 -2.781 3.124 -5.162
516 HA ALA 68 HA ALA 68 -3.492 0.836 -6.602
517 HB1 ALA 68 1HB ALA 68 -1.889 3.310 -7.002
518 HB2 ALA 68 2HB ALA 68 -1.490 1.947 -8.075
519 HB3 ALA 68 3HB ALA 68 -3.151 2.585 -8.027
520 H ALA 69 H ALA 69 -2.489 -1.111 -6.953
521 HA ALA 69 HA ALA 69 -0.338 -1.802 -5.230
522 HB1 ALA 69 1HB ALA 69 -0.804 -3.972 -5.893
523 HB2 ALA 69 2HB ALA 69 -2.360 -3.188 -6.260
524 HB3 ALA 69 3HB ALA 69 -1.187 -3.495 -7.564
525 H GLY 70 H GLY 70 -0.652 -0.525 -8.492
526 HA2 GLY 70 1HA GLY 70 2.042 -1.345 -9.247
527 HA3 GLY 70 2HA GLY 70 0.867 -0.491 -10.228
528 H ALA 71 H ALA 71 0.685 1.061 -7.292
529 HA ALA 71 HA ALA 71 2.748 2.994 -8.103
530 HB1 ALA 71 1HB ALA 71 -0.038 3.292 -7.755
531 HB2 ALA 71 2HB ALA 71 0.704 4.041 -6.321
532 HB3 ALA 71 3HB ALA 71 1.168 4.586 -7.951
533 H LEU 72 H LEU 72 2.799 0.463 -6.309
534 HA LEU 72 HA LEU 72 3.848 1.861 -3.949
535 HB2 LEU 72 1HB LEU 72 2.272 -0.710 -4.072
536 HB3 LEU 72 2HB LEU 72 3.190 -0.200 -2.670
537 HG LEU 72 HG LEU 72 1.054 1.567 -3.859
538 HD11 LEU 72 1HD1 LEU 72 -0.551 0.153 -3.279
539 HD12 LEU 72 2HD1 LEU 72 0.642 -1.005 -2.645
540 HD13 LEU 72 3HD1 LEU 72 -0.009 0.270 -1.588
541 HD21 LEU 72 1HD2 LEU 72 1.986 2.920 -2.329
542 HD22 LEU 72 2HD2 LEU 72 1.045 1.959 -1.164
543 HD23 LEU 72 3HD2 LEU 72 2.759 1.577 -1.454
544 H ARG 73 H ARG 73 5.726 0.857 -2.952
545 HA ARG 73 HA ARG 73 6.944 -1.212 -4.546
546 HB2 ARG 73 1HB ARG 73 9.114 0.048 -4.649
547 HB3 ARG 73 2HB ARG 73 7.840 0.853 -5.543
548 HG2 ARG 73 1HG ARG 73 8.225 2.719 -4.317
549 HG3 ARG 73 2HG ARG 73 7.617 1.873 -2.908
550 HD2 ARG 73 1HD ARG 73 9.747 1.388 -2.094
551 HD3 ARG 73 2HD ARG 73 10.457 1.284 -3.693
552 HE ARG 73 HE ARG 73 9.598 3.991 -3.171
553 HH11 ARG 73 2HH2 ARG 73 12.121 1.683 -2.341
554 HH12 ARG 73 1HH2 ARG 73 13.302 2.903 -1.998
555 HH21 ARG 73 2HH1 ARG 73 11.156 5.601 -2.719
556 HH22 ARG 73 1HH1 ARG 73 12.749 5.146 -2.215
557 H GLU 74 H GLU 74 9.177 -1.855 -3.381
558 HA GLU 74 HA GLU 74 8.468 -2.148 -0.609
559 HB2 GLU 74 1HB GLU 74 9.427 -3.952 -2.347
560 HB3 GLU 74 2HB GLU 74 10.971 -3.337 -1.792
561 HG2 GLU 74 1HG GLU 74 9.785 -3.647 0.625
562 HG3 GLU 74 2HG GLU 74 8.863 -4.843 -0.263
563 H ARG 75 H ARG 75 9.203 -0.733 0.910
564 HA ARG 75 HA ARG 75 10.861 1.324 0.390
565 HB2 ARG 75 1HB ARG 75 9.414 1.037 2.438
566 HB3 ARG 75 2HB ARG 75 10.563 -0.125 3.070
567 HG2 ARG 75 1HG ARG 75 12.351 1.625 3.047
568 HG3 ARG 75 2HG ARG 75 11.208 2.787 2.405
569 HD2 ARG 75 1HD ARG 75 9.850 2.696 4.430
570 HD3 ARG 75 2HD ARG 75 10.744 1.318 5.041
571 HE ARG 75 HE ARG 75 11.545 4.108 5.207
572 HH11 ARG 75 2HH2 ARG 75 12.791 0.823 5.011
573 HH12 ARG 75 1HH2 ARG 75 14.295 1.211 5.776
574 HH21 ARG 75 2HH1 ARG 75 13.529 4.621 6.217
575 HH22 ARG 75 1HH1 ARG 75 14.718 3.386 6.467
576 H SER 76 H SER 76 13.089 1.631 0.246
577 HA SER 76 HA SER 76 14.907 0.005 1.593
578 HB2 SER 76 1HB SER 76 15.969 -1.115 -0.369
579 HB3 SER 76 2HB SER 76 14.347 -1.701 -0.061
580 HG SER 76 HG SER 76 14.081 -1.276 -2.155
581 H GLY 77 H GLY 77 16.862 1.131 1.723
582 HA2 GLY 77 1HA GLY 77 17.057 3.544 0.041
583 HA3 GLY 77 2HA GLY 77 17.758 3.326 1.632
584 HA PRO 78 HA PRO 78 20.965 2.336 -1.462
585 HB2 PRO 78 1HB PRO 78 22.782 4.263 -0.791
586 HB3 PRO 78 2HB PRO 78 21.622 4.451 -2.091
587 HG2 PRO 78 1HG PRO 78 21.601 5.668 0.603
588 HG3 PRO 78 2HG PRO 78 20.716 6.156 -0.829
589 HD2 PRO 78 1HD PRO 78 19.671 4.734 1.434
590 HD3 PRO 78 2HD PRO 78 18.817 5.120 -0.047
591 H SER 79 H SER 79 20.826 0.414 -0.043
592 HA SER 79 HA SER 79 21.988 0.209 2.341
593 HB2 SER 79 1HB SER 79 22.235 -1.773 0.035
594 HB3 SER 79 2HB SER 79 22.545 -2.167 1.714
595 HG SER 79 HG SER 79 20.126 -0.975 1.646
596 H SER 80 H SER 80 24.184 -0.790 2.975
597 HA SER 80 HA SER 80 26.242 0.314 1.225
598 HB2 SER 80 1HB SER 80 25.859 1.571 3.408
599 HB3 SER 80 2HB SER 80 26.370 0.131 4.266
600 HG SER 80 HG SER 80 28.451 0.308 3.397
601 H GLY 81 H GLY 81 28.089 -0.994 0.856
602 HA2 GLY 81 1HA GLY 81 28.026 -3.664 2.132
603 HA3 GLY 81 2HA GLY 81 28.322 -3.432 0.421
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -12.695 -23.316 8.630
2 HA2 GLY 1 1HA GLY 1 -13.899 -25.971 8.225
3 HA3 GLY 1 2HA GLY 1 -14.248 -24.681 7.091
4 H SER 2 H SER 2 -12.524 -23.773 5.769
5 HA SER 2 HA SER 2 -10.109 -25.402 5.818
6 HB2 SER 2 1HB SER 2 -12.015 -25.661 3.873
7 HB3 SER 2 2HB SER 2 -11.046 -24.383 3.168
8 HG SER 2 HG SER 2 -10.475 -26.796 2.784
9 H SER 3 H SER 3 -8.275 -24.265 4.496
10 HA SER 3 HA SER 3 -8.194 -21.574 5.441
11 HB2 SER 3 1HB SER 3 -6.223 -23.476 4.159
12 HB3 SER 3 2HB SER 3 -5.841 -21.767 4.224
13 HG SER 3 HG SER 3 -6.518 -22.087 6.648
14 H GLY 4 H GLY 4 -9.615 -20.314 4.166
15 HA2 GLY 4 1HA GLY 4 -10.487 -19.358 2.305
16 HA3 GLY 4 2HA GLY 4 -8.800 -19.055 1.942
17 H SER 5 H SER 5 -11.239 -21.747 1.742
18 HA SER 5 HA SER 5 -11.698 -23.174 0.173
19 HB2 SER 5 1HB SER 5 -11.454 -20.893 -1.229
20 HB3 SER 5 2HB SER 5 -10.106 -21.750 -1.949
21 HG SER 5 HG SER 5 -11.938 -22.221 -3.192
22 H SER 6 H SER 6 -10.678 -24.866 -1.374
23 HA SER 6 HA SER 6 -8.001 -25.388 -0.376
24 HB2 SER 6 1HB SER 6 -10.230 -27.006 -0.425
25 HB3 SER 6 2HB SER 6 -9.435 -27.506 -1.904
26 HG SER 6 HG SER 6 -7.425 -27.498 -0.298
27 H GLY 7 H GLY 7 -6.239 -25.558 -1.784
28 HA2 GLY 7 1HA GLY 7 -5.959 -26.312 -4.287
29 HA3 GLY 7 2HA GLY 7 -6.742 -24.767 -4.554
30 H ARG 8 H ARG 8 -3.826 -26.410 -3.348
31 HA ARG 8 HA ARG 8 -2.541 -24.132 -2.418
32 HB2 ARG 8 1HB ARG 8 -0.456 -25.543 -2.629
33 HB3 ARG 8 2HB ARG 8 -1.759 -26.368 -1.798
34 HG2 ARG 8 1HG ARG 8 -2.138 -26.931 -4.568
35 HG3 ARG 8 2HG ARG 8 -0.417 -27.100 -4.284
36 HD2 ARG 8 1HD ARG 8 -0.841 -28.668 -2.412
37 HD3 ARG 8 2HD ARG 8 -2.570 -28.438 -2.574
38 HE ARG 8 HE ARG 8 -1.381 -29.291 -5.085
39 HH11 ARG 8 2HH2 ARG 8 -2.494 -30.457 -1.957
40 HH12 ARG 8 1HH2 ARG 8 -2.808 -32.063 -2.524
41 HH21 ARG 8 2HH1 ARG 8 -1.795 -31.410 -5.834
42 HH22 ARG 8 1HH1 ARG 8 -2.408 -32.609 -4.744
43 H MET 9 H MET 9 -1.492 -22.476 -3.509
44 HA MET 9 HA MET 9 -0.534 -23.002 -6.172
45 HB2 MET 9 1HB MET 9 -2.600 -20.840 -5.481
46 HB3 MET 9 2HB MET 9 -1.713 -20.870 -6.993
47 HG2 MET 9 1HG MET 9 -2.625 -23.329 -7.228
48 HG3 MET 9 2HG MET 9 -3.770 -22.869 -5.984
49 HE1 MET 9 1HE MET 9 -4.858 -22.639 -10.050
50 HE2 MET 9 2HE MET 9 -3.109 -22.846 -9.792
51 HE3 MET 9 3HE MET 9 -4.267 -23.858 -8.896
52 HA PRO 10 HA PRO 10 2.495 -20.194 -4.839
53 HB2 PRO 10 1HB PRO 10 3.598 -19.397 -7.209
54 HB3 PRO 10 2HB PRO 10 3.987 -20.920 -6.435
55 HG2 PRO 10 1HG PRO 10 2.282 -20.423 -8.799
56 HG3 PRO 10 2HG PRO 10 3.019 -21.924 -8.273
57 HD2 PRO 10 1HD PRO 10 0.266 -21.170 -7.985
58 HD3 PRO 10 2HD PRO 10 1.028 -22.618 -7.357
59 H THR 11 H THR 11 2.487 -18.230 -3.940
60 HA THR 11 HA THR 11 1.220 -16.141 -5.570
61 HB THR 11 HB THR 11 -0.431 -17.097 -3.919
62 HG1 THR 11 1HG THR 11 0.741 -14.498 -3.217
63 HG21 THR 11 1HG2 THR 11 1.539 -15.972 -1.859
64 HG22 THR 11 2HG2 THR 11 -0.075 -16.639 -1.514
65 HG23 THR 11 3HG2 THR 11 1.222 -17.707 -2.103
66 H ARG 12 H ARG 12 2.048 -14.057 -5.328
67 HA ARG 12 HA ARG 12 4.267 -13.850 -3.481
68 HB2 ARG 12 1HB ARG 12 4.392 -13.755 -6.453
69 HB3 ARG 12 2HB ARG 12 5.179 -12.395 -5.677
70 HG2 ARG 12 1HG ARG 12 6.463 -14.026 -4.223
71 HG3 ARG 12 2HG ARG 12 5.736 -15.347 -5.117
72 HD2 ARG 12 1HD ARG 12 6.709 -14.360 -7.252
73 HD3 ARG 12 2HD ARG 12 7.532 -13.160 -6.275
74 HE ARG 12 HE ARG 12 8.104 -15.799 -5.261
75 HH11 ARG 12 2HH2 ARG 12 8.889 -13.642 -7.929
76 HH12 ARG 12 1HH2 ARG 12 10.442 -14.353 -8.215
77 HH21 ARG 12 2HH1 ARG 12 10.153 -16.737 -5.638
78 HH22 ARG 12 1HH1 ARG 12 11.166 -16.126 -6.903
79 H ARG 13 H ARG 13 2.775 -12.504 -2.225
80 HA ARG 13 HA ARG 13 2.579 -9.855 -3.375
81 HB2 ARG 13 1HB ARG 13 0.303 -11.293 -1.918
82 HB3 ARG 13 2HB ARG 13 0.267 -9.609 -2.401
83 HG2 ARG 13 1HG ARG 13 0.833 -11.758 -4.466
84 HG3 ARG 13 2HG ARG 13 -0.818 -11.440 -3.969
85 HD2 ARG 13 1HD ARG 13 -0.907 -9.454 -5.110
86 HD3 ARG 13 2HD ARG 13 0.682 -8.958 -4.561
87 HE ARG 13 HE ARG 13 1.026 -11.085 -6.435
88 HH11 ARG 13 2HH2 ARG 13 -0.043 -7.734 -6.356
89 HH12 ARG 13 1HH2 ARG 13 0.424 -7.413 -7.993
90 HH21 ARG 13 2HH1 ARG 13 1.642 -10.662 -8.594
91 HH22 ARG 13 1HH1 ARG 13 1.389 -9.090 -9.274
92 H TRP 14 H TRP 14 2.115 -8.166 -1.585
93 HA TRP 14 HA TRP 14 3.859 -8.699 0.602
94 HB2 TRP 14 1HB TRP 14 2.120 -6.340 -0.126
95 HB3 TRP 14 2HB TRP 14 3.146 -6.382 1.294
96 HD1 TRP 14 HD TRP 14 5.869 -7.438 0.231
97 HE1 TRP 14 1HE TRP 14 7.362 -6.191 -1.552
98 HE3 TRP 14 3HE TRP 14 2.098 -4.671 -1.766
99 HZ2 TRP 14 2HZ TRP 14 6.811 -4.232 -3.552
100 HZ3 TRP 14 3HZ TRP 14 2.661 -3.116 -3.631
101 HH2 TRP 14 HH TRP 14 4.923 -2.872 -4.525
102 H ALA 15 H ALA 15 3.182 -8.464 2.917
103 HA ALA 15 HA ALA 15 0.489 -9.578 3.276
104 HB1 ALA 15 1HB ALA 15 1.615 -11.174 4.395
105 HB2 ALA 15 2HB ALA 15 3.135 -10.251 4.303
106 HB3 ALA 15 3HB ALA 15 1.984 -9.943 5.626
107 HA PRO 16 HA PRO 16 -0.577 -6.186 5.742
108 HB2 PRO 16 1HB PRO 16 -1.982 -7.242 7.834
109 HB3 PRO 16 2HB PRO 16 -2.663 -7.027 6.234
110 HG2 PRO 16 1HG PRO 16 -1.765 -9.519 7.547
111 HG3 PRO 16 2HG PRO 16 -2.817 -9.327 6.158
112 HD2 PRO 16 1HD PRO 16 -0.057 -10.110 6.126
113 HD3 PRO 16 2HD PRO 16 -1.077 -9.805 4.733
114 H GLY 17 H GLY 17 0.939 -4.895 6.572
115 HA2 GLY 17 1HA GLY 17 1.656 -4.312 8.894
116 HA3 GLY 17 2HA GLY 17 2.263 -5.953 8.997
117 H THR 18 H THR 18 2.741 -5.377 5.816
118 HA THR 18 HA THR 18 5.519 -4.704 6.237
119 HB THR 18 HB THR 18 3.817 -5.524 3.830
120 HG1 THR 18 1HG THR 18 4.678 -7.507 4.446
121 HG21 THR 18 1HG2 THR 18 5.626 -5.262 2.438
122 HG22 THR 18 2HG2 THR 18 6.248 -4.137 3.668
123 HG23 THR 18 3HG2 THR 18 6.758 -5.842 3.682
124 H GLN 19 H GLN 19 6.641 -2.922 5.419
125 HA GLN 19 HA GLN 19 4.912 -0.634 5.108
126 HB2 GLN 19 1HB GLN 19 7.878 -0.985 5.654
127 HB3 GLN 19 2HB GLN 19 7.220 0.580 5.220
128 HG2 GLN 19 1HG GLN 19 5.618 0.442 7.136
129 HG3 GLN 19 2HG GLN 19 6.264 -1.130 7.566
130 HE21 GLN 19 1HE2 GLN 19 6.187 1.197 9.195
131 HE22 GLN 19 2HE2 GLN 19 7.809 1.650 9.601
132 H CYS 20 H CYS 20 4.417 0.200 3.127
133 HA CYS 20 HA CYS 20 6.191 -0.563 0.923
134 HB2 CYS 20 1HB CYS 20 3.218 0.053 0.861
135 HB3 CYS 20 2HB CYS 20 4.208 -0.254 -0.552
136 HG CYS 20 HG CYS 20 5.203 -2.563 0.751
137 H ILE 21 H ILE 21 6.651 1.130 -0.676
138 HA ILE 21 HA ILE 21 6.182 3.822 0.404
139 HB ILE 21 HB ILE 21 8.519 3.000 -1.305
140 HG12 ILE 21 1HG1 ILE 21 8.764 1.604 0.588
141 HG13 ILE 21 2HG1 ILE 21 9.826 2.973 0.850
142 HG21 ILE 21 1HG2 ILE 21 8.236 5.325 0.608
143 HG22 ILE 21 2HG2 ILE 21 9.500 5.049 -0.615
144 HG23 ILE 21 3HG2 ILE 21 7.835 5.420 -1.124
145 HD11 ILE 21 1HD1 ILE 21 8.809 3.186 2.872
146 HD12 ILE 21 2HD1 ILE 21 7.419 3.842 1.974
147 HD13 ILE 21 3HD1 ILE 21 7.471 2.114 2.394
148 H THR 22 H THR 22 5.778 5.525 -1.148
149 HA THR 22 HA THR 22 4.281 4.532 -3.413
150 HB THR 22 HB THR 22 3.731 7.027 -3.576
151 HG1 THR 22 1HG THR 22 4.800 8.334 -2.046
152 HG21 THR 22 1HG2 THR 22 3.362 5.455 -1.003
153 HG22 THR 22 2HG2 THR 22 2.833 7.153 -1.079
154 HG23 THR 22 3HG2 THR 22 2.133 5.951 -2.190
155 H LYS 23 H LYS 23 4.625 5.060 -5.607
156 HA LYS 23 HA LYS 23 7.447 5.348 -6.197
157 HB2 LYS 23 1HB LYS 23 5.023 4.540 -7.810
158 HB3 LYS 23 2HB LYS 23 6.570 4.866 -8.565
159 HG2 LYS 23 1HG LYS 23 7.290 3.207 -6.441
160 HG3 LYS 23 2HG LYS 23 5.732 2.555 -6.906
161 HD2 LYS 23 1HD LYS 23 7.750 3.187 -9.069
162 HD3 LYS 23 2HD LYS 23 7.967 1.735 -8.112
163 HE2 LYS 23 1HE LYS 23 5.549 1.107 -8.675
164 HE3 LYS 23 2HE LYS 23 5.517 2.465 -9.782
165 HZ1 LYS 23 1HZ LYS 23 7.495 0.298 -9.918
166 HZ2 LYS 23 2HZ LYS 23 6.136 0.357 -10.821
167 HZ3 LYS 23 3HZ LYS 23 7.291 1.497 -11.006
168 H CYS 24 H CYS 24 4.380 7.137 -6.388
169 HA CYS 24 HA CYS 24 5.938 9.439 -7.263
170 HB2 CYS 24 1HB CYS 24 3.359 8.488 -8.540
171 HB3 CYS 24 2HB CYS 24 3.964 10.123 -8.712
172 HG CYS 24 HG CYS 24 6.180 9.611 -9.832
173 H GLU 25 H GLU 25 4.276 11.477 -7.019
174 HA GLU 25 HA GLU 25 3.186 11.133 -4.352
175 HB2 GLU 25 1HB GLU 25 3.395 13.549 -4.123
176 HB3 GLU 25 2HB GLU 25 4.908 12.910 -4.732
177 HG2 GLU 25 1HG GLU 25 3.522 13.415 -7.088
178 HG3 GLU 25 2HG GLU 25 2.949 14.709 -6.055
179 H HIS 26 H HIS 26 1.011 11.571 -3.858
180 HA HIS 26 HA HIS 26 -0.643 12.345 -6.146
181 HB2 HIS 26 1HB HIS 26 -0.577 9.811 -5.227
182 HB3 HIS 26 2HB HIS 26 -1.782 10.468 -4.137
183 HD1 HIS 26 1HD HIS 26 -1.366 11.364 -7.832
184 HD2 HIS 26 2HD HIS 26 -4.077 9.450 -5.266
185 HE1 HIS 26 1HE HIS 26 -3.442 10.864 -9.229
186 H THR 27 H THR 27 -1.295 14.392 -5.664
187 HA THR 27 HA THR 27 -1.862 15.029 -2.869
188 HB THR 27 HB THR 27 -1.568 17.305 -3.576
189 HG1 THR 27 1HG THR 27 -1.771 16.181 -6.279
190 HG21 THR 27 1HG2 THR 27 0.163 16.261 -5.766
191 HG22 THR 27 2HG2 THR 27 0.601 17.266 -4.364
192 HG23 THR 27 3HG2 THR 27 0.453 15.502 -4.182
193 H ARG 28 H ARG 28 -3.439 14.598 -6.034
194 HA ARG 28 HA ARG 28 -5.946 15.013 -4.615
195 HB2 ARG 28 1HB ARG 28 -5.042 15.961 -7.336
196 HB3 ARG 28 2HB ARG 28 -6.729 15.522 -7.153
197 HG2 ARG 28 1HG ARG 28 -6.948 17.102 -5.238
198 HG3 ARG 28 2HG ARG 28 -5.251 17.520 -5.374
199 HD2 ARG 28 1HD ARG 28 -5.757 19.088 -6.935
200 HD3 ARG 28 2HD ARG 28 -6.391 17.842 -7.991
201 HE ARG 28 HE ARG 28 -8.330 18.454 -5.949
202 HH11 ARG 28 2HH2 ARG 28 -6.927 19.780 -8.892
203 HH12 ARG 28 1HH2 ARG 28 -8.325 20.722 -9.287
204 HH21 ARG 28 2HH1 ARG 28 -10.176 19.698 -6.470
205 HH22 ARG 28 1HH1 ARG 28 -10.186 20.675 -7.900
206 HA PRO 29 HA PRO 29 -6.014 10.800 -6.161
207 HB2 PRO 29 1HB PRO 29 -7.424 9.721 -4.084
208 HB3 PRO 29 2HB PRO 29 -5.674 9.799 -4.115
209 HG2 PRO 29 1HG PRO 29 -7.575 11.450 -2.567
210 HG3 PRO 29 2HG PRO 29 -5.858 11.218 -2.306
211 HD2 PRO 29 1HD PRO 29 -7.122 13.513 -3.473
212 HD3 PRO 29 2HD PRO 29 -5.400 13.231 -3.318
213 H LYS 30 H LYS 30 -7.871 9.145 -6.506
214 HA LYS 30 HA LYS 30 -9.771 10.529 -8.026
215 HB2 LYS 30 1HB LYS 30 -8.985 7.807 -7.516
216 HB3 LYS 30 2HB LYS 30 -10.731 7.923 -7.430
217 HG2 LYS 30 1HG LYS 30 -10.392 9.418 -9.644
218 HG3 LYS 30 2HG LYS 30 -8.901 8.504 -9.757
219 HD2 LYS 30 1HD LYS 30 -10.287 6.370 -9.499
220 HD3 LYS 30 2HD LYS 30 -11.728 7.360 -9.612
221 HE2 LYS 30 1HE LYS 30 -9.554 7.423 -11.749
222 HE3 LYS 30 2HE LYS 30 -10.879 6.278 -11.806
223 HZ1 LYS 30 1HZ LYS 30 -12.019 7.889 -12.756
224 HZ2 LYS 30 2HZ LYS 30 -12.050 8.685 -11.331
225 HZ3 LYS 30 3HZ LYS 30 -10.891 9.024 -12.430
226 HA PRO 31 HA PRO 31 -13.024 11.200 -5.257
227 HB2 PRO 31 1HB PRO 31 -15.294 10.315 -6.495
228 HB3 PRO 31 2HB PRO 31 -14.511 11.831 -6.897
229 HG2 PRO 31 1HG PRO 31 -14.510 9.288 -8.405
230 HG3 PRO 31 2HG PRO 31 -14.112 10.899 -8.969
231 HD2 PRO 31 1HD PRO 31 -12.266 8.798 -8.334
232 HD3 PRO 31 2HD PRO 31 -11.866 10.444 -8.786
233 H GLY 32 H GLY 32 -12.355 10.024 -3.455
234 HA2 GLY 32 1HA GLY 32 -13.559 8.666 -1.850
235 HA3 GLY 32 2HA GLY 32 -13.944 7.548 -3.143
236 H GLU 33 H GLU 33 -10.755 9.047 -3.189
237 HA GLU 33 HA GLU 33 -9.672 6.525 -2.196
238 HB2 GLU 33 1HB GLU 33 -8.860 8.276 -4.521
239 HB3 GLU 33 2HB GLU 33 -7.641 7.306 -3.720
240 HG2 GLU 33 1HG GLU 33 -9.024 5.255 -4.092
241 HG3 GLU 33 2HG GLU 33 -10.249 6.223 -4.887
242 H LEU 34 H LEU 34 -7.185 6.900 -1.540
243 HA LEU 34 HA LEU 34 -7.254 9.176 0.290
244 HB2 LEU 34 1HB LEU 34 -6.897 7.319 1.560
245 HB3 LEU 34 2HB LEU 34 -6.017 6.473 0.303
246 HG LEU 34 HG LEU 34 -4.172 8.288 0.738
247 HD11 LEU 34 1HD1 LEU 34 -4.958 8.289 3.566
248 HD12 LEU 34 2HD1 LEU 34 -4.287 9.590 2.553
249 HD13 LEU 34 3HD1 LEU 34 -6.032 9.242 2.514
250 HD21 LEU 34 1HD2 LEU 34 -3.128 6.462 1.435
251 HD22 LEU 34 2HD2 LEU 34 -3.910 6.614 3.026
252 HD23 LEU 34 3HD2 LEU 34 -4.692 5.668 1.737
253 H ALA 35 H ALA 35 -5.234 10.438 0.607
254 HA ALA 35 HA ALA 35 -3.820 10.675 -1.958
255 HB1 ALA 35 1HB ALA 35 -5.344 12.558 -0.812
256 HB2 ALA 35 2HB ALA 35 -3.836 12.871 0.080
257 HB3 ALA 35 3HB ALA 35 -3.854 12.963 -1.697
258 H PHE 36 H PHE 36 -1.499 11.341 -1.797
259 HA PHE 36 HA PHE 36 -0.156 11.108 0.672
260 HB2 PHE 36 1HB PHE 36 1.036 8.943 0.023
261 HB3 PHE 36 2HB PHE 36 -0.669 8.706 0.349
262 HD1 PHE 36 1HD PHE 36 1.860 8.938 -2.318
263 HD2 PHE 36 2HD PHE 36 -2.171 8.003 -1.374
264 HE1 PHE 36 1HE PHE 36 1.573 7.890 -4.581
265 HE2 PHE 36 2HE PHE 36 -2.457 6.955 -3.637
266 HZ PHE 36 HZ PHE 36 -0.582 6.911 -5.213
267 H ARG 37 H ARG 37 2.295 11.117 0.326
268 HA ARG 37 HA ARG 37 2.781 12.573 -2.137
269 HB2 ARG 37 1HB ARG 37 4.080 12.597 0.611
270 HB3 ARG 37 2HB ARG 37 4.965 13.208 -0.772
271 HG2 ARG 37 1HG ARG 37 2.148 14.164 -0.111
272 HG3 ARG 37 2HG ARG 37 3.569 14.921 0.579
273 HD2 ARG 37 1HD ARG 37 3.832 14.577 -2.336
274 HD3 ARG 37 2HD ARG 37 2.410 15.514 -1.921
275 HE ARG 37 HE ARG 37 5.113 16.430 -1.757
276 HH11 ARG 37 2HH2 ARG 37 2.128 16.527 0.105
277 HH12 ARG 37 1HH2 ARG 37 2.513 18.026 0.883
278 HH21 ARG 37 2HH1 ARG 37 5.620 18.407 -0.730
279 HH22 ARG 37 1HH1 ARG 37 4.512 19.103 0.405
280 H LYS 38 H LYS 38 5.312 12.360 -2.793
281 HA LYS 38 HA LYS 38 5.674 9.582 -3.365
282 HB2 LYS 38 1HB LYS 38 6.108 11.305 -5.045
283 HB3 LYS 38 2HB LYS 38 7.345 12.023 -4.033
284 HG2 LYS 38 1HG LYS 38 8.336 9.522 -4.064
285 HG3 LYS 38 2HG LYS 38 7.408 9.414 -5.547
286 HD2 LYS 38 1HD LYS 38 9.028 11.904 -5.274
287 HD3 LYS 38 2HD LYS 38 9.969 10.430 -5.378
288 HE2 LYS 38 1HE LYS 38 8.360 9.856 -7.409
289 HE3 LYS 38 2HE LYS 38 8.030 11.578 -7.407
290 HZ1 LYS 38 1HZ LYS 38 9.848 11.147 -8.830
291 HZ2 LYS 38 2HZ LYS 38 10.447 11.921 -7.523
292 HZ3 LYS 38 3HZ LYS 38 10.663 10.310 -7.688
293 H GLY 39 H GLY 39 6.735 8.124 -2.141
294 HA2 GLY 39 1HA GLY 39 8.475 7.327 -0.873
295 HA3 GLY 39 2HA GLY 39 9.048 8.959 -0.593
296 H ASP 40 H ASP 40 5.796 7.429 -0.049
297 HA ASP 40 HA ASP 40 5.991 8.419 2.677
298 HB2 ASP 40 1HB ASP 40 3.749 7.960 0.734
299 HB3 ASP 40 2HB ASP 40 3.381 7.658 2.420
300 H VAL 41 H VAL 41 5.749 6.921 4.423
301 HA VAL 41 HA VAL 41 5.904 4.125 3.648
302 HB VAL 41 HB VAL 41 6.430 5.674 6.179
303 HG11 VAL 41 1HG1 VAL 41 6.050 2.720 5.799
304 HG12 VAL 41 2HG1 VAL 41 7.283 3.298 6.946
305 HG13 VAL 41 3HG1 VAL 41 5.579 3.766 7.160
306 HG21 VAL 41 1HG2 VAL 41 8.029 4.671 3.961
307 HG22 VAL 41 2HG2 VAL 41 8.461 5.813 5.256
308 HG23 VAL 41 3HG2 VAL 41 8.615 4.061 5.527
309 H VAL 42 H VAL 42 4.212 2.735 3.789
310 HA VAL 42 HA VAL 42 2.011 3.484 5.565
311 HB VAL 42 HB VAL 42 0.433 2.749 3.779
312 HG11 VAL 42 1HG1 VAL 42 0.182 4.884 3.007
313 HG12 VAL 42 2HG1 VAL 42 1.358 5.204 4.304
314 HG13 VAL 42 3HG1 VAL 42 1.908 5.069 2.617
315 HG21 VAL 42 1HG2 VAL 42 1.614 3.153 1.396
316 HG22 VAL 42 2HG2 VAL 42 2.993 2.463 2.285
317 HG23 VAL 42 3HG2 VAL 42 1.474 1.546 2.149
318 H THR 43 H THR 43 0.822 1.676 6.400
319 HA THR 43 HA THR 43 2.325 -0.836 6.145
320 HB THR 43 HB THR 43 0.533 0.360 8.318
321 HG1 THR 43 1HG THR 43 2.830 1.022 8.057
322 HG21 THR 43 1HG2 THR 43 1.238 -1.646 9.661
323 HG22 THR 43 2HG2 THR 43 0.194 -2.104 8.294
324 HG23 THR 43 3HG2 THR 43 1.953 -2.353 8.192
325 H ILE 44 H ILE 44 1.455 -2.620 5.260
326 HA ILE 44 HA ILE 44 -0.921 -2.390 3.805
327 HB ILE 44 HB ILE 44 0.669 -4.818 4.640
328 HG12 ILE 44 1HG1 ILE 44 1.835 -2.984 3.311
329 HG13 ILE 44 2HG1 ILE 44 1.883 -4.605 2.646
330 HG21 ILE 44 1HG2 ILE 44 -0.638 -5.304 2.206
331 HG22 ILE 44 2HG2 ILE 44 -0.971 -6.048 3.788
332 HG23 ILE 44 3HG2 ILE 44 -1.871 -4.599 3.279
333 HD11 ILE 44 1HD1 ILE 44 0.854 -2.224 1.421
334 HD12 ILE 44 2HD1 ILE 44 0.902 -3.871 0.746
335 HD13 ILE 44 3HD1 ILE 44 -0.516 -3.331 1.677
336 H LEU 45 H LEU 45 -2.860 -2.017 4.766
337 HA LEU 45 HA LEU 45 -3.431 -3.011 7.365
338 HB2 LEU 45 1HB LEU 45 -5.202 -1.736 5.275
339 HB3 LEU 45 2HB LEU 45 -5.667 -2.059 6.933
340 HG LEU 45 HG LEU 45 -3.282 -0.327 6.292
341 HD11 LEU 45 1HD1 LEU 45 -5.211 0.575 5.055
342 HD12 LEU 45 2HD1 LEU 45 -6.144 0.631 6.570
343 HD13 LEU 45 3HD1 LEU 45 -4.694 1.646 6.380
344 HD21 LEU 45 1HD2 LEU 45 -4.616 -1.216 8.693
345 HD22 LEU 45 2HD2 LEU 45 -3.094 -0.314 8.503
346 HD23 LEU 45 3HD2 LEU 45 -4.643 0.560 8.583
347 H GLU 46 H GLU 46 -5.000 -3.664 4.146
348 HA GLU 46 HA GLU 46 -5.071 -6.448 4.865
349 HB2 GLU 46 1HB GLU 46 -7.575 -4.778 4.420
350 HB3 GLU 46 2HB GLU 46 -7.572 -6.520 4.230
351 HG2 GLU 46 1HG GLU 46 -6.785 -6.797 6.573
352 HG3 GLU 46 2HG GLU 46 -6.711 -5.057 6.771
353 H ALA 47 H ALA 47 -5.867 -7.809 2.946
354 HA ALA 47 HA ALA 47 -5.178 -6.404 0.456
355 HB1 ALA 47 1HB ALA 47 -4.560 -8.854 -0.229
356 HB2 ALA 47 2HB ALA 47 -3.441 -7.937 0.808
357 HB3 ALA 47 3HB ALA 47 -4.525 -9.153 1.525
358 H CYS 48 H CYS 48 -6.580 -6.590 -1.284
359 HA CYS 48 HA CYS 48 -8.986 -8.173 -0.741
360 HB2 CYS 48 1HB CYS 48 -8.802 -5.411 -1.177
361 HB3 CYS 48 2HB CYS 48 -9.356 -6.054 -2.709
362 HG CYS 48 HG CYS 48 -11.596 -6.523 -2.102
363 H GLU 49 H GLU 49 -10.005 -9.116 -2.737
364 HA GLU 49 HA GLU 49 -7.986 -10.204 -4.387
365 HB2 GLU 49 1HB GLU 49 -10.441 -11.065 -3.541
366 HB3 GLU 49 2HB GLU 49 -10.853 -10.537 -5.161
367 HG2 GLU 49 1HG GLU 49 -9.734 -12.273 -6.137
368 HG3 GLU 49 2HG GLU 49 -8.331 -12.066 -5.107
369 H ASN 50 H ASN 50 -7.075 -9.104 -6.068
370 HA ASN 50 HA ASN 50 -8.562 -8.225 -8.192
371 HB2 ASN 50 1HB ASN 50 -8.565 -6.306 -6.064
372 HB3 ASN 50 2HB ASN 50 -7.451 -5.681 -7.264
373 HD21 ASN 50 1HD2 ASN 50 -10.036 -4.672 -6.477
374 HD22 ASN 50 2HD2 ASN 50 -11.048 -4.638 -7.881
375 H LYS 51 H LYS 51 -5.694 -7.716 -6.069
376 HA LYS 51 HA LYS 51 -3.523 -7.692 -6.466
377 HB2 LYS 51 1HB LYS 51 -4.564 -9.287 -8.740
378 HB3 LYS 51 2HB LYS 51 -2.949 -8.640 -8.947
379 HG2 LYS 51 1HG LYS 51 -2.115 -10.232 -7.569
380 HG3 LYS 51 2HG LYS 51 -3.112 -9.639 -6.256
381 HD2 LYS 51 1HD LYS 51 -3.835 -11.873 -6.470
382 HD3 LYS 51 2HD LYS 51 -5.052 -10.997 -7.378
383 HE2 LYS 51 1HE LYS 51 -2.627 -11.880 -8.914
384 HE3 LYS 51 2HE LYS 51 -3.711 -13.149 -8.380
385 HZ1 LYS 51 1HZ LYS 51 -5.136 -12.560 -9.933
386 HZ2 LYS 51 2HZ LYS 51 -5.178 -11.005 -9.436
387 HZ3 LYS 51 3HZ LYS 51 -4.056 -11.485 -10.521
388 H SER 52 H SER 52 -5.311 -5.400 -7.108
389 HA SER 52 HA SER 52 -3.330 -3.938 -8.581
390 HB2 SER 52 1HB SER 52 -5.830 -4.777 -9.797
391 HB3 SER 52 2HB SER 52 -5.817 -3.030 -9.656
392 HG SER 52 HG SER 52 -4.712 -3.228 -11.512
393 H TRP 53 H TRP 53 -4.578 -4.204 -5.798
394 HA TRP 53 HA TRP 53 -4.751 -1.415 -5.275
395 HB2 TRP 53 1HB TRP 53 -7.278 -3.050 -5.232
396 HB3 TRP 53 2HB TRP 53 -7.069 -1.653 -4.195
397 HD1 TRP 53 HD TRP 53 -7.925 -2.559 -7.764
398 HE1 TRP 53 1HE TRP 53 -8.408 -0.433 -9.251
399 HE3 TRP 53 3HE TRP 53 -6.209 0.837 -4.391
400 HZ2 TRP 53 2HZ TRP 53 -8.026 2.368 -8.858
401 HZ3 TRP 53 3HZ TRP 53 -6.299 3.247 -5.021
402 HH2 TRP 53 HH TRP 53 -7.169 4.031 -7.167
403 H TYR 54 H TYR 54 -4.557 -1.039 -2.967
404 HA TYR 54 HA TYR 54 -4.519 -3.372 -1.249
405 HB2 TYR 54 1HB TYR 54 -2.161 -1.681 -2.205
406 HB3 TYR 54 2HB TYR 54 -2.110 -2.320 -0.574
407 HD1 TYR 54 1HD TYR 54 -2.413 -4.889 -0.298
408 HD2 TYR 54 2HD TYR 54 -1.453 -3.000 -4.015
409 HE1 TYR 54 1HE TYR 54 -1.519 -7.094 -1.196
410 HE2 TYR 54 2HE TYR 54 -0.563 -5.211 -4.900
411 HH TYR 54 HH TYR 54 0.256 -7.707 -3.016
412 H ARG 55 H ARG 55 -5.122 -2.852 0.824
413 HA ARG 55 HA ARG 55 -5.660 -0.061 1.255
414 HB2 ARG 55 1HB ARG 55 -7.389 -1.856 1.726
415 HB3 ARG 55 2HB ARG 55 -6.354 -2.484 2.993
416 HG2 ARG 55 1HG ARG 55 -7.064 -0.905 4.463
417 HG3 ARG 55 2HG ARG 55 -6.689 0.391 3.344
418 HD2 ARG 55 1HD ARG 55 -8.957 -0.626 2.162
419 HD3 ARG 55 2HD ARG 55 -9.295 -0.992 3.842
420 HE ARG 55 HE ARG 55 -8.350 1.688 3.744
421 HH11 ARG 55 2HH2 ARG 55 -11.113 -0.182 2.624
422 HH12 ARG 55 1HH2 ARG 55 -12.202 1.165 2.662
423 HH21 ARG 55 2HH1 ARG 55 -9.786 3.465 3.794
424 HH22 ARG 55 1HH1 ARG 55 -11.442 3.253 3.332
425 H VAL 56 H VAL 56 -4.014 1.139 2.164
426 HA VAL 56 HA VAL 56 -2.467 -0.163 4.298
427 HB VAL 56 HB VAL 56 -0.528 1.007 3.582
428 HG11 VAL 56 1HG1 VAL 56 -0.044 -0.101 1.562
429 HG12 VAL 56 2HG1 VAL 56 -1.308 -1.096 2.324
430 HG13 VAL 56 3HG1 VAL 56 -1.727 0.009 0.993
431 HG21 VAL 56 1HG2 VAL 56 -1.728 3.108 2.906
432 HG22 VAL 56 2HG2 VAL 56 -0.442 2.600 1.785
433 HG23 VAL 56 3HG2 VAL 56 -2.149 2.309 1.372
434 H LYS 57 H LYS 57 -1.328 1.712 5.668
435 HA LYS 57 HA LYS 57 -3.402 3.739 6.145
436 HB2 LYS 57 1HB LYS 57 -3.348 1.934 7.864
437 HB3 LYS 57 2HB LYS 57 -1.685 2.350 8.223
438 HG2 LYS 57 1HG LYS 57 -2.892 4.835 8.368
439 HG3 LYS 57 2HG LYS 57 -4.192 3.799 8.922
440 HD2 LYS 57 1HD LYS 57 -3.195 3.680 10.953
441 HD3 LYS 57 2HD LYS 57 -1.851 2.828 10.219
442 HE2 LYS 57 1HE LYS 57 -0.932 5.165 9.552
443 HE3 LYS 57 2HE LYS 57 -2.134 5.832 10.639
444 HZ1 LYS 57 1HZ LYS 57 -0.453 5.535 12.076
445 HZ2 LYS 57 2HZ LYS 57 -1.077 4.032 12.209
446 HZ3 LYS 57 3HZ LYS 57 0.225 4.294 11.260
447 H HIS 58 H HIS 58 -2.740 5.816 5.957
448 HA HIS 58 HA HIS 58 -0.030 6.302 5.271
449 HB2 HIS 58 1HB HIS 58 -2.248 7.465 4.495
450 HB3 HIS 58 2HB HIS 58 -2.023 8.457 5.923
451 HD2 HIS 58 2HD HIS 58 -0.760 8.234 2.307
452 HE1 HIS 58 1HE HIS 58 1.782 11.008 4.295
453 HE2 HIS 58 2HE HIS 58 1.088 9.966 2.031
454 H HIS 59 H HIS 59 1.654 6.733 6.608
455 HA HIS 59 HA HIS 59 1.344 6.654 9.363
456 HB2 HIS 59 1HB HIS 59 3.432 6.535 7.558
457 HB3 HIS 59 2HB HIS 59 3.746 8.043 8.394
458 HD1 HIS 59 1HD HIS 59 4.363 7.925 10.930
459 HD2 HIS 59 2HD HIS 59 3.694 4.193 9.135
460 HE1 HIS 59 1HE HIS 59 5.235 6.176 12.570
461 H THR 60 H THR 60 2.510 9.507 7.431
462 HA THR 60 HA THR 60 2.152 11.367 9.436
463 HB THR 60 HB THR 60 2.080 11.539 6.383
464 HG1 THR 60 1HG THR 60 3.974 12.201 8.529
465 HG21 THR 60 1HG2 THR 60 2.814 13.962 6.858
466 HG22 THR 60 2HG2 THR 60 1.088 13.630 7.138
467 HG23 THR 60 3HG2 THR 60 2.210 13.728 8.516
468 H SER 61 H SER 61 -0.116 10.843 6.647
469 HA SER 61 HA SER 61 -2.071 12.467 7.590
470 HB2 SER 61 1HB SER 61 -1.790 10.414 5.569
471 HB3 SER 61 2HB SER 61 -3.351 10.224 6.343
472 HG SER 61 HG SER 61 -2.610 12.881 5.680
473 H GLY 62 H GLY 62 -2.060 8.829 7.861
474 HA2 GLY 62 1HA GLY 62 -2.452 7.652 9.836
475 HA3 GLY 62 2HA GLY 62 -3.184 9.071 10.558
476 H GLN 63 H GLN 63 -4.117 8.461 7.247
477 HA GLN 63 HA GLN 63 -6.690 7.554 8.251
478 HB2 GLN 63 1HB GLN 63 -6.177 8.572 5.441
479 HB3 GLN 63 2HB GLN 63 -7.687 8.543 6.329
480 HG2 GLN 63 1HG GLN 63 -6.942 10.308 7.828
481 HG3 GLN 63 2HG GLN 63 -5.298 10.207 7.232
482 HE21 GLN 63 1HE2 GLN 63 -4.736 11.748 5.916
483 HE22 GLN 63 2HE2 GLN 63 -5.744 12.604 4.797
484 H GLU 64 H GLU 64 -7.903 6.200 6.338
485 HA GLU 64 HA GLU 64 -5.962 4.252 5.377
486 HB2 GLU 64 1HB GLU 64 -8.660 3.632 6.658
487 HB3 GLU 64 2HB GLU 64 -7.605 2.443 5.920
488 HG2 GLU 64 1HG GLU 64 -6.023 2.559 7.638
489 HG3 GLU 64 2HG GLU 64 -6.400 4.226 8.025
490 H GLY 65 H GLY 65 -6.059 4.111 3.181
491 HA2 GLY 65 1HA GLY 65 -8.686 4.234 1.886
492 HA3 GLY 65 2HA GLY 65 -7.479 5.414 1.415
493 H LEU 66 H LEU 66 -8.548 3.519 -0.419
494 HA LEU 66 HA LEU 66 -6.823 1.271 -0.621
495 HB2 LEU 66 1HB LEU 66 -8.790 2.553 -2.515
496 HB3 LEU 66 2HB LEU 66 -7.884 1.104 -2.903
497 HG LEU 66 HG LEU 66 -9.736 1.338 -0.518
498 HD11 LEU 66 1HD1 LEU 66 -11.439 0.237 -1.766
499 HD12 LEU 66 2HD1 LEU 66 -10.897 1.633 -2.728
500 HD13 LEU 66 3HD1 LEU 66 -10.355 -0.007 -3.157
501 HD21 LEU 66 1HD2 LEU 66 -8.515 -1.098 -1.845
502 HD22 LEU 66 2HD2 LEU 66 -7.974 -0.368 -0.315
503 HD23 LEU 66 3HD2 LEU 66 -9.598 -1.087 -0.433
504 H LEU 67 H LEU 67 -4.987 0.956 -1.886
505 HA LEU 67 HA LEU 67 -3.957 3.399 -3.154
506 HB2 LEU 67 1HB LEU 67 -2.904 1.959 -0.980
507 HB3 LEU 67 2HB LEU 67 -1.894 1.550 -2.353
508 HG LEU 67 HG LEU 67 -2.540 4.423 -1.699
509 HD11 LEU 67 1HD1 LEU 67 -1.516 4.156 0.273
510 HD12 LEU 67 2HD1 LEU 67 -0.843 2.571 -0.175
511 HD13 LEU 67 3HD1 LEU 67 -0.020 4.064 -0.687
512 HD21 LEU 67 1HD2 LEU 67 -1.552 4.447 -3.759
513 HD22 LEU 67 2HD2 LEU 67 -0.104 4.528 -2.727
514 HD23 LEU 67 3HD2 LEU 67 -0.596 2.977 -3.448
515 H ALA 68 H ALA 68 -2.834 3.145 -5.149
516 HA ALA 68 HA ALA 68 -3.808 0.951 -6.688
517 HB1 ALA 68 1HB ALA 68 -2.605 3.570 -7.094
518 HB2 ALA 68 2HB ALA 68 -1.846 2.352 -8.148
519 HB3 ALA 68 3HB ALA 68 -3.608 2.603 -8.202
520 H ALA 69 H ALA 69 -2.936 -1.055 -6.588
521 HA ALA 69 HA ALA 69 -0.608 -1.736 -5.350
522 HB1 ALA 69 1HB ALA 69 -0.912 -3.867 -6.338
523 HB2 ALA 69 2HB ALA 69 -2.550 -3.175 -6.266
524 HB3 ALA 69 3HB ALA 69 -1.652 -3.179 -7.803
525 H GLY 70 H GLY 70 -1.095 -0.282 -8.534
526 HA2 GLY 70 1HA GLY 70 1.652 -0.863 -9.350
527 HA3 GLY 70 2HA GLY 70 0.389 -0.113 -10.307
528 H ALA 71 H ALA 71 1.275 0.799 -6.939
529 HA ALA 71 HA ALA 71 2.777 3.080 -7.852
530 HB1 ALA 71 1HB ALA 71 1.021 4.436 -6.282
531 HB2 ALA 71 2HB ALA 71 0.875 4.329 -8.053
532 HB3 ALA 71 3HB ALA 71 -0.076 3.241 -7.014
533 H LEU 72 H LEU 72 3.069 0.561 -6.221
534 HA LEU 72 HA LEU 72 4.000 1.901 -3.792
535 HB2 LEU 72 1HB LEU 72 2.531 -0.739 -3.855
536 HB3 LEU 72 2HB LEU 72 3.266 0.000 -2.446
537 HG LEU 72 HG LEU 72 1.127 1.457 -3.987
538 HD11 LEU 72 1HD1 LEU 72 0.646 -1.056 -3.027
539 HD12 LEU 72 2HD1 LEU 72 0.203 -0.044 -1.631
540 HD13 LEU 72 3HD1 LEU 72 -0.576 0.225 -3.209
541 HD21 LEU 72 1HD2 LEU 72 2.040 2.917 -2.457
542 HD22 LEU 72 2HD2 LEU 72 0.696 2.219 -1.522
543 HD23 LEU 72 3HD2 LEU 72 2.358 1.640 -1.258
544 H ARG 73 H ARG 73 5.870 0.880 -2.810
545 HA ARG 73 HA ARG 73 7.062 -1.194 -4.423
546 HB2 ARG 73 1HB ARG 73 9.256 0.046 -4.471
547 HB3 ARG 73 2HB ARG 73 8.003 0.857 -5.389
548 HG2 ARG 73 1HG ARG 73 8.355 2.720 -4.149
549 HG3 ARG 73 2HG ARG 73 7.743 1.866 -2.746
550 HD2 ARG 73 1HD ARG 73 9.886 1.332 -1.952
551 HD3 ARG 73 2HD ARG 73 10.604 1.348 -3.550
552 HE ARG 73 HE ARG 73 9.706 3.994 -2.985
553 HH11 ARG 73 2HH2 ARG 73 12.127 1.706 -1.851
554 HH12 ARG 73 1HH2 ARG 73 13.228 2.936 -1.327
555 HH21 ARG 73 2HH1 ARG 73 11.159 5.617 -2.295
556 HH22 ARG 73 1HH1 ARG 73 12.674 5.175 -1.581
557 H GLU 74 H GLU 74 9.283 -1.882 -3.257
558 HA GLU 74 HA GLU 74 8.557 -2.196 -0.488
559 HB2 GLU 74 1HB GLU 74 9.375 -4.062 -2.148
560 HB3 GLU 74 2HB GLU 74 10.980 -3.441 -1.818
561 HG2 GLU 74 1HG GLU 74 9.977 -3.630 0.743
562 HG3 GLU 74 2HG GLU 74 9.125 -4.951 -0.032
563 H ARG 75 H ARG 75 9.191 -0.559 0.862
564 HA ARG 75 HA ARG 75 10.927 1.366 0.423
565 HB2 ARG 75 1HB ARG 75 9.519 1.103 2.486
566 HB3 ARG 75 2HB ARG 75 10.627 -0.115 3.086
567 HG2 ARG 75 1HG ARG 75 12.484 1.570 3.066
568 HG3 ARG 75 2HG ARG 75 11.368 2.787 2.480
569 HD2 ARG 75 1HD ARG 75 10.043 2.678 4.528
570 HD3 ARG 75 2HD ARG 75 10.912 1.262 5.084
571 HE ARG 75 HE ARG 75 12.899 3.192 4.706
572 HH11 ARG 75 2HH2 ARG 75 9.952 2.963 6.616
573 HH12 ARG 75 1HH2 ARG 75 10.534 4.005 7.872
574 HH21 ARG 75 2HH1 ARG 75 13.666 4.566 6.362
575 HH22 ARG 75 1HH1 ARG 75 12.660 4.923 7.726
576 H SER 76 H SER 76 13.182 1.730 0.461
577 HA SER 76 HA SER 76 14.850 -0.289 -0.168
578 HB2 SER 76 1HB SER 76 15.074 2.513 0.539
579 HB3 SER 76 2HB SER 76 16.413 1.641 1.257
580 HG SER 76 HG SER 76 16.728 0.660 -0.946
581 H GLY 77 H GLY 77 16.460 -1.545 0.983
582 HA2 GLY 77 1HA GLY 77 15.628 -2.508 3.499
583 HA3 GLY 77 2HA GLY 77 17.133 -2.866 2.674
584 HA PRO 78 HA PRO 78 18.211 -0.342 6.284
585 HB2 PRO 78 1HB PRO 78 20.057 -2.037 7.375
586 HB3 PRO 78 2HB PRO 78 18.374 -2.012 7.861
587 HG2 PRO 78 1HG PRO 78 19.787 -3.987 6.175
588 HG3 PRO 78 2HG PRO 78 18.257 -4.154 7.012
589 HD2 PRO 78 1HD PRO 78 18.638 -3.705 4.205
590 HD3 PRO 78 2HD PRO 78 17.109 -3.756 5.060
591 H SER 79 H SER 79 18.925 1.060 4.526
592 HA SER 79 HA SER 79 21.735 1.290 4.744
593 HB2 SER 79 1HB SER 79 21.631 -0.447 2.983
594 HB3 SER 79 2HB SER 79 20.547 0.549 2.033
595 HG SER 79 HG SER 79 22.233 1.591 1.238
596 H SER 80 H SER 80 22.141 3.478 4.749
597 HA SER 80 HA SER 80 20.181 5.129 3.355
598 HB2 SER 80 1HB SER 80 21.715 5.746 5.919
599 HB3 SER 80 2HB SER 80 20.674 6.886 5.088
600 HG SER 80 HG SER 80 19.094 6.047 6.257
601 H GLY 81 H GLY 81 23.558 5.171 4.727
602 HA2 GLY 81 1HA GLY 81 25.362 5.378 3.085
603 HA3 GLY 81 2HA GLY 81 24.407 6.609 2.283
Start of MODEL 6
1 H1 GLY 1 H GLY 1 10.488 -31.619 -2.673
2 HA2 GLY 1 1HA GLY 1 12.505 -31.118 -1.721
3 HA3 GLY 1 2HA GLY 1 11.899 -29.497 -1.991
4 H SER 2 H SER 2 13.649 -29.537 -0.010
5 HA SER 2 HA SER 2 11.965 -29.209 2.307
6 HB2 SER 2 1HB SER 2 13.057 -31.559 2.308
7 HB3 SER 2 2HB SER 2 14.585 -30.735 2.549
8 HG SER 2 HG SER 2 12.728 -31.376 4.406
9 H SER 3 H SER 3 12.672 -27.489 3.641
10 HA SER 3 HA SER 3 15.325 -26.494 3.288
11 HB2 SER 3 1HB SER 3 13.233 -25.406 1.692
12 HB3 SER 3 2HB SER 3 13.527 -24.226 2.954
13 HG SER 3 HG SER 3 15.579 -25.387 1.268
14 H GLY 4 H GLY 4 16.017 -25.440 5.175
15 HA2 GLY 4 1HA GLY 4 14.101 -25.412 7.377
16 HA3 GLY 4 2HA GLY 4 15.846 -25.282 7.476
17 H SER 5 H SER 5 12.801 -23.547 7.048
18 HA SER 5 HA SER 5 14.335 -21.066 7.125
19 HB2 SER 5 1HB SER 5 12.095 -21.917 5.409
20 HB3 SER 5 2HB SER 5 11.771 -20.393 6.211
21 HG SER 5 HG SER 5 14.159 -20.986 4.678
22 H SER 6 H SER 6 11.048 -22.467 7.852
23 HA SER 6 HA SER 6 9.747 -22.303 9.582
24 HB2 SER 6 1HB SER 6 11.883 -22.879 10.858
25 HB3 SER 6 2HB SER 6 12.087 -21.168 11.173
26 HG SER 6 HG SER 6 10.250 -23.003 12.281
27 H GLY 7 H GLY 7 8.128 -20.790 9.700
28 HA2 GLY 7 1HA GLY 7 7.543 -18.606 10.637
29 HA3 GLY 7 2HA GLY 7 8.936 -17.944 9.805
30 H ARG 8 H ARG 8 5.703 -17.892 9.650
31 HA ARG 8 HA ARG 8 5.055 -18.746 7.123
32 HB2 ARG 8 1HB ARG 8 3.917 -16.553 8.911
33 HB3 ARG 8 2HB ARG 8 3.191 -16.929 7.361
34 HG2 ARG 8 1HG ARG 8 2.636 -19.168 8.031
35 HG3 ARG 8 2HG ARG 8 3.720 -19.116 9.407
36 HD2 ARG 8 1HD ARG 8 2.122 -17.029 10.088
37 HD3 ARG 8 2HD ARG 8 0.976 -17.917 9.103
38 HE ARG 8 HE ARG 8 0.960 -19.669 10.693
39 HH11 ARG 8 2HH2 ARG 8 3.480 -17.335 11.458
40 HH12 ARG 8 1HH2 ARG 8 3.778 -17.982 13.037
41 HH21 ARG 8 2HH1 ARG 8 1.352 -20.523 12.776
42 HH22 ARG 8 1HH1 ARG 8 2.559 -19.808 13.791
43 H MET 9 H MET 9 6.135 -18.106 5.270
44 HA MET 9 HA MET 9 6.978 -15.333 5.134
45 HB2 MET 9 1HB MET 9 7.889 -17.950 4.021
46 HB3 MET 9 2HB MET 9 7.949 -16.641 2.856
47 HG2 MET 9 1HG MET 9 9.002 -15.547 5.266
48 HG3 MET 9 2HG MET 9 9.703 -17.148 5.141
49 HE1 MET 9 1HE MET 9 11.713 -13.822 3.524
50 HE2 MET 9 2HE MET 9 10.000 -13.473 3.858
51 HE3 MET 9 3HE MET 9 10.993 -14.306 5.078
52 HA PRO 10 HA PRO 10 4.062 -14.412 2.056
53 HB2 PRO 10 1HB PRO 10 5.326 -12.495 0.574
54 HB3 PRO 10 2HB PRO 10 4.564 -12.166 2.117
55 HG2 PRO 10 1HG PRO 10 7.442 -12.405 1.486
56 HG3 PRO 10 2HG PRO 10 6.682 -11.673 2.885
57 HD2 PRO 10 1HD PRO 10 7.969 -14.234 2.774
58 HD3 PRO 10 2HD PRO 10 7.109 -13.551 4.140
59 H THR 11 H THR 11 3.197 -15.336 0.291
60 HA THR 11 HA THR 11 4.744 -17.179 -1.109
61 HB THR 11 HB THR 11 2.083 -15.779 -1.672
62 HG1 THR 11 1HG THR 11 1.550 -18.130 -1.016
63 HG21 THR 11 1HG2 THR 11 1.762 -18.015 -3.034
64 HG22 THR 11 2HG2 THR 11 2.606 -16.662 -3.825
65 HG23 THR 11 3HG2 THR 11 3.539 -18.014 -3.138
66 H ARG 12 H ARG 12 3.422 -14.056 -2.410
67 HA ARG 12 HA ARG 12 5.937 -13.753 -3.784
68 HB2 ARG 12 1HB ARG 12 3.934 -14.916 -5.191
69 HB3 ARG 12 2HB ARG 12 3.448 -13.247 -5.414
70 HG2 ARG 12 1HG ARG 12 4.923 -13.247 -7.157
71 HG3 ARG 12 2HG ARG 12 6.157 -13.068 -5.926
72 HD2 ARG 12 1HD ARG 12 7.035 -14.993 -6.798
73 HD3 ARG 12 2HD ARG 12 5.779 -15.808 -5.889
74 HE ARG 12 HE ARG 12 4.805 -14.894 -8.474
75 HH11 ARG 12 2HH2 ARG 12 6.625 -17.451 -6.884
76 HH12 ARG 12 1HH2 ARG 12 6.280 -18.631 -8.105
77 HH21 ARG 12 2HH1 ARG 12 4.348 -16.450 -10.084
78 HH22 ARG 12 1HH1 ARG 12 4.976 -18.057 -9.937
79 H ARG 13 H ARG 13 2.574 -12.435 -3.342
80 HA ARG 13 HA ARG 13 3.454 -9.788 -3.728
81 HB2 ARG 13 1HB ARG 13 0.865 -10.727 -2.399
82 HB3 ARG 13 2HB ARG 13 1.143 -9.171 -3.155
83 HG2 ARG 13 1HG ARG 13 1.734 -11.438 -4.963
84 HG3 ARG 13 2HG ARG 13 0.071 -11.432 -4.409
85 HD2 ARG 13 1HD ARG 13 -0.445 -9.683 -5.767
86 HD3 ARG 13 2HD ARG 13 0.856 -8.715 -5.102
87 HE ARG 13 HE ARG 13 0.964 -10.363 -7.544
88 HH11 ARG 13 2HH2 ARG 13 2.799 -8.587 -5.123
89 HH12 ARG 13 1HH2 ARG 13 4.197 -8.409 -6.129
90 HH21 ARG 13 2HH1 ARG 13 2.809 -10.129 -8.872
91 HH22 ARG 13 1HH1 ARG 13 4.203 -9.292 -8.276
92 H TRP 14 H TRP 14 2.724 -8.081 -1.883
93 HA TRP 14 HA TRP 14 4.368 -8.668 0.361
94 HB2 TRP 14 1HB TRP 14 2.546 -6.334 -0.251
95 HB3 TRP 14 2HB TRP 14 3.629 -6.420 1.125
96 HD1 TRP 14 HD TRP 14 6.332 -7.347 -0.130
97 HE1 TRP 14 1HE TRP 14 7.713 -5.941 -1.885
98 HE3 TRP 14 3HE TRP 14 2.415 -4.539 -1.750
99 HZ2 TRP 14 2HZ TRP 14 7.028 -3.858 -3.712
100 HZ3 TRP 14 3HZ TRP 14 2.857 -2.841 -3.521
101 HH2 TRP 14 HH TRP 14 5.068 -2.479 -4.496
102 H ALA 15 H ALA 15 3.480 -8.340 2.671
103 HA ALA 15 HA ALA 15 0.865 -9.672 2.842
104 HB1 ALA 15 1HB ALA 15 2.740 -9.769 5.148
105 HB2 ALA 15 2HB ALA 15 1.711 -11.045 4.454
106 HB3 ALA 15 3HB ALA 15 3.267 -10.643 3.689
107 HA PRO 16 HA PRO 16 -0.524 -6.408 5.324
108 HB2 PRO 16 1HB PRO 16 -1.914 -7.580 7.364
109 HB3 PRO 16 2HB PRO 16 -2.558 -7.401 5.744
110 HG2 PRO 16 1HG PRO 16 -1.524 -9.833 7.070
111 HG3 PRO 16 2HG PRO 16 -2.543 -9.705 5.650
112 HD2 PRO 16 1HD PRO 16 0.265 -10.287 5.700
113 HD3 PRO 16 2HD PRO 16 -0.729 -10.045 4.278
114 H GLY 17 H GLY 17 0.542 -4.907 6.436
115 HA2 GLY 17 1HA GLY 17 1.285 -4.255 8.618
116 HA3 GLY 17 2HA GLY 17 1.872 -5.885 8.886
117 H THR 18 H THR 18 2.476 -5.130 5.641
118 HA THR 18 HA THR 18 5.277 -4.618 6.261
119 HB THR 18 HB THR 18 3.683 -5.536 3.830
120 HG1 THR 18 1HG THR 18 4.670 -7.421 4.514
121 HG21 THR 18 1HG2 THR 18 5.597 -3.960 3.135
122 HG22 THR 18 2HG2 THR 18 6.706 -5.086 3.954
123 HG23 THR 18 3HG2 THR 18 5.753 -5.635 2.554
124 H GLN 19 H GLN 19 6.462 -2.840 5.574
125 HA GLN 19 HA GLN 19 4.804 -0.532 5.138
126 HB2 GLN 19 1HB GLN 19 7.768 -0.895 5.729
127 HB3 GLN 19 2HB GLN 19 7.064 0.674 5.392
128 HG2 GLN 19 1HG GLN 19 5.398 0.241 7.281
129 HG3 GLN 19 2HG GLN 19 6.301 -1.208 7.672
130 HE21 GLN 19 1HE2 GLN 19 5.901 0.937 9.416
131 HE22 GLN 19 2HE2 GLN 19 7.420 1.682 9.786
132 H CYS 20 H CYS 20 4.347 0.208 3.115
133 HA CYS 20 HA CYS 20 6.218 -0.553 0.996
134 HB2 CYS 20 1HB CYS 20 3.247 0.050 0.846
135 HB3 CYS 20 2HB CYS 20 4.275 -0.199 -0.551
136 HG CYS 20 HG CYS 20 5.209 -2.565 0.302
137 H ILE 21 H ILE 21 6.445 1.150 -0.775
138 HA ILE 21 HA ILE 21 6.085 3.844 0.340
139 HB ILE 21 HB ILE 21 8.422 3.023 -1.366
140 HG12 ILE 21 1HG1 ILE 21 8.612 1.603 0.543
141 HG13 ILE 21 2HG1 ILE 21 9.747 2.923 0.746
142 HG21 ILE 21 1HG2 ILE 21 9.403 5.065 -0.662
143 HG22 ILE 21 2HG2 ILE 21 7.734 5.443 -1.152
144 HG23 ILE 21 3HG2 ILE 21 8.150 5.326 0.575
145 HD11 ILE 21 1HD1 ILE 21 7.338 3.860 1.908
146 HD12 ILE 21 2HD1 ILE 21 7.493 2.166 2.433
147 HD13 ILE 21 3HD1 ILE 21 8.803 3.325 2.765
148 H THR 22 H THR 22 5.564 5.504 -1.175
149 HA THR 22 HA THR 22 4.118 4.496 -3.451
150 HB THR 22 HB THR 22 3.608 7.027 -3.632
151 HG1 THR 22 1HG THR 22 4.552 8.262 -1.939
152 HG21 THR 22 1HG2 THR 22 1.916 5.954 -2.374
153 HG22 THR 22 2HG2 THR 22 3.070 5.356 -1.158
154 HG23 THR 22 3HG2 THR 22 2.593 7.071 -1.165
155 H LYS 23 H LYS 23 4.507 4.857 -5.634
156 HA LYS 23 HA LYS 23 7.308 5.249 -6.225
157 HB2 LYS 23 1HB LYS 23 4.923 4.157 -7.668
158 HB3 LYS 23 2HB LYS 23 6.264 4.759 -8.620
159 HG2 LYS 23 1HG LYS 23 7.798 3.307 -7.119
160 HG3 LYS 23 2HG LYS 23 6.334 2.561 -6.509
161 HD2 LYS 23 1HD LYS 23 6.156 2.618 -9.390
162 HD3 LYS 23 2HD LYS 23 7.739 1.998 -8.967
163 HE2 LYS 23 1HE LYS 23 6.189 0.620 -7.163
164 HE3 LYS 23 2HE LYS 23 5.039 0.808 -8.472
165 HZ1 LYS 23 1HZ LYS 23 7.148 0.067 -9.832
166 HZ2 LYS 23 2HZ LYS 23 7.510 -0.673 -8.422
167 HZ3 LYS 23 3HZ LYS 23 6.107 -1.012 -9.186
168 H CYS 24 H CYS 24 4.223 6.973 -6.394
169 HA CYS 24 HA CYS 24 5.707 9.273 -7.382
170 HB2 CYS 24 1HB CYS 24 3.162 8.194 -8.620
171 HB3 CYS 24 2HB CYS 24 3.675 9.858 -8.818
172 HG CYS 24 HG CYS 24 4.296 8.345 -10.928
173 H GLU 25 H GLU 25 4.077 11.298 -7.138
174 HA GLU 25 HA GLU 25 2.998 11.004 -4.467
175 HB2 GLU 25 1HB GLU 25 3.202 13.396 -4.275
176 HB3 GLU 25 2HB GLU 25 4.681 12.819 -5.017
177 HG2 GLU 25 1HG GLU 25 3.027 13.271 -7.228
178 HG3 GLU 25 2HG GLU 25 2.573 14.568 -6.140
179 H HIS 26 H HIS 26 0.829 11.559 -3.930
180 HA HIS 26 HA HIS 26 -0.883 12.127 -6.232
181 HB2 HIS 26 1HB HIS 26 -0.765 9.656 -5.154
182 HB3 HIS 26 2HB HIS 26 -1.962 10.367 -4.090
183 HD1 HIS 26 1HD HIS 26 -1.699 11.203 -7.794
184 HD2 HIS 26 2HD HIS 26 -4.176 9.075 -5.161
185 HE1 HIS 26 1HE HIS 26 -3.766 10.541 -9.135
186 H THR 27 H THR 27 -1.562 14.188 -5.867
187 HA THR 27 HA THR 27 -2.065 15.002 -3.107
188 HB THR 27 HB THR 27 -2.149 17.282 -4.193
189 HG1 THR 27 1HG THR 27 -2.386 17.224 -6.395
190 HG21 THR 27 1HG2 THR 27 0.160 15.514 -4.128
191 HG22 THR 27 2HG2 THR 27 0.245 16.533 -5.585
192 HG23 THR 27 3HG2 THR 27 0.124 17.287 -3.977
193 H ARG 28 H ARG 28 -3.731 14.222 -6.140
194 HA ARG 28 HA ARG 28 -6.199 14.680 -4.674
195 HB2 ARG 28 1HB ARG 28 -5.528 15.403 -7.557
196 HB3 ARG 28 2HB ARG 28 -7.191 15.176 -7.053
197 HG2 ARG 28 1HG ARG 28 -6.045 16.847 -5.062
198 HG3 ARG 28 2HG ARG 28 -5.415 17.455 -6.581
199 HD2 ARG 28 1HD ARG 28 -7.398 18.535 -6.858
200 HD3 ARG 28 2HD ARG 28 -8.127 16.969 -7.153
201 HE ARG 28 HE ARG 28 -9.011 16.963 -4.960
202 HH11 ARG 28 2HH2 ARG 28 -6.767 19.642 -5.372
203 HH12 ARG 28 1HH2 ARG 28 -7.227 20.421 -3.894
204 HH21 ARG 28 2HH1 ARG 28 -9.618 17.990 -3.011
205 HH22 ARG 28 1HH1 ARG 28 -8.859 19.475 -2.543
206 HA PRO 29 HA PRO 29 -6.183 10.413 -6.062
207 HB2 PRO 29 1HB PRO 29 -7.490 9.370 -3.900
208 HB3 PRO 29 2HB PRO 29 -5.745 9.502 -3.993
209 HG2 PRO 29 1HG PRO 29 -7.649 11.150 -2.444
210 HG3 PRO 29 2HG PRO 29 -5.917 10.982 -2.233
211 HD2 PRO 29 1HD PRO 29 -7.292 13.190 -3.441
212 HD3 PRO 29 2HD PRO 29 -5.557 12.968 -3.333
213 H LYS 30 H LYS 30 -8.021 8.677 -6.220
214 HA LYS 30 HA LYS 30 -10.006 9.943 -7.750
215 HB2 LYS 30 1HB LYS 30 -9.099 7.282 -7.194
216 HB3 LYS 30 2HB LYS 30 -10.838 7.324 -6.983
217 HG2 LYS 30 1HG LYS 30 -10.583 8.812 -9.287
218 HG3 LYS 30 2HG LYS 30 -9.217 7.728 -9.458
219 HD2 LYS 30 1HD LYS 30 -10.564 5.963 -9.949
220 HD3 LYS 30 2HD LYS 30 -11.566 6.249 -8.540
221 HE2 LYS 30 1HE LYS 30 -13.084 6.585 -10.316
222 HE3 LYS 30 2HE LYS 30 -12.600 8.223 -9.922
223 HZ1 LYS 30 1HZ LYS 30 -12.270 6.883 -12.322
224 HZ2 LYS 30 2HZ LYS 30 -11.841 8.417 -11.962
225 HZ3 LYS 30 3HZ LYS 30 -10.776 7.199 -11.742
226 HA PRO 31 HA PRO 31 -13.187 10.619 -4.897
227 HB2 PRO 31 1HB PRO 31 -15.463 9.579 -5.997
228 HB3 PRO 31 2HB PRO 31 -14.761 11.101 -6.507
229 HG2 PRO 31 1HG PRO 31 -14.710 8.484 -7.881
230 HG3 PRO 31 2HG PRO 31 -14.402 10.078 -8.542
231 HD2 PRO 31 1HD PRO 31 -12.446 8.089 -7.875
232 HD3 PRO 31 2HD PRO 31 -12.134 9.723 -8.426
233 H GLY 32 H GLY 32 -12.446 9.595 -3.045
234 HA2 GLY 32 1HA GLY 32 -13.505 8.271 -1.331
235 HA3 GLY 32 2HA GLY 32 -13.908 7.074 -2.545
236 H GLU 33 H GLU 33 -10.775 8.681 -2.785
237 HA GLU 33 HA GLU 33 -9.567 6.236 -1.746
238 HB2 GLU 33 1HB GLU 33 -8.917 7.931 -4.158
239 HB3 GLU 33 2HB GLU 33 -7.616 7.068 -3.363
240 HG2 GLU 33 1HG GLU 33 -8.900 4.927 -3.594
241 HG3 GLU 33 2HG GLU 33 -10.193 5.793 -4.400
242 H LEU 34 H LEU 34 -7.032 6.772 -1.268
243 HA LEU 34 HA LEU 34 -7.134 9.104 0.501
244 HB2 LEU 34 1HB LEU 34 -6.708 7.327 1.859
245 HB3 LEU 34 2HB LEU 34 -5.851 6.426 0.624
246 HG LEU 34 HG LEU 34 -4.021 8.285 0.908
247 HD11 LEU 34 1HD1 LEU 34 -4.776 8.420 3.753
248 HD12 LEU 34 2HD1 LEU 34 -4.074 9.657 2.682
249 HD13 LEU 34 3HD1 LEU 34 -5.826 9.344 2.652
250 HD21 LEU 34 1HD2 LEU 34 -3.890 6.616 3.300
251 HD22 LEU 34 2HD2 LEU 34 -4.346 5.703 1.842
252 HD23 LEU 34 3HD2 LEU 34 -2.841 6.653 1.863
253 H ALA 35 H ALA 35 -5.181 10.458 0.676
254 HA ALA 35 HA ALA 35 -3.829 10.589 -1.926
255 HB1 ALA 35 1HB ALA 35 -5.312 12.508 -1.089
256 HB2 ALA 35 2HB ALA 35 -4.065 12.792 0.149
257 HB3 ALA 35 3HB ALA 35 -3.656 12.940 -1.577
258 H PHE 36 H PHE 36 -1.517 11.471 -1.792
259 HA PHE 36 HA PHE 36 -0.088 11.299 0.601
260 HB2 PHE 36 1HB PHE 36 1.138 9.129 -0.021
261 HB3 PHE 36 2HB PHE 36 -0.535 8.880 0.438
262 HD1 PHE 36 1HD PHE 36 1.777 9.051 -2.430
263 HD2 PHE 36 2HD PHE 36 -2.122 8.017 -1.114
264 HE1 PHE 36 1HE PHE 36 1.353 7.877 -4.608
265 HE2 PHE 36 2HE PHE 36 -2.546 6.843 -3.292
266 HZ PHE 36 HZ PHE 36 -0.803 6.787 -5.012
267 H ARG 37 H ARG 37 2.390 11.179 0.110
268 HA ARG 37 HA ARG 37 2.752 12.599 -2.399
269 HB2 ARG 37 1HB ARG 37 4.270 12.669 0.246
270 HB3 ARG 37 2HB ARG 37 4.950 13.359 -1.215
271 HG2 ARG 37 1HG ARG 37 2.178 14.125 -0.204
272 HG3 ARG 37 2HG ARG 37 3.624 14.959 0.328
273 HD2 ARG 37 1HD ARG 37 4.154 15.667 -1.947
274 HD3 ARG 37 2HD ARG 37 2.914 14.630 -2.622
275 HE ARG 37 HE ARG 37 1.282 16.219 -2.046
276 HH11 ARG 37 2HH2 ARG 37 4.292 16.966 -0.384
277 HH12 ARG 37 1HH2 ARG 37 3.743 18.505 0.189
278 HH21 ARG 37 2HH1 ARG 37 0.556 18.250 -1.290
279 HH22 ARG 37 1HH1 ARG 37 1.603 19.240 -0.330
280 H LYS 38 H LYS 38 5.338 12.384 -3.042
281 HA LYS 38 HA LYS 38 5.640 9.595 -3.622
282 HB2 LYS 38 1HB LYS 38 6.075 11.365 -5.291
283 HB3 LYS 38 2HB LYS 38 7.394 11.972 -4.311
284 HG2 LYS 38 1HG LYS 38 8.236 9.434 -4.432
285 HG3 LYS 38 2HG LYS 38 7.217 9.380 -5.856
286 HD2 LYS 38 1HD LYS 38 9.056 11.743 -5.614
287 HD3 LYS 38 2HD LYS 38 9.812 10.193 -5.925
288 HE2 LYS 38 1HE LYS 38 7.967 9.945 -7.804
289 HE3 LYS 38 2HE LYS 38 7.791 11.680 -7.633
290 HZ1 LYS 38 1HZ LYS 38 9.823 12.036 -8.487
291 HZ2 LYS 38 2HZ LYS 38 10.486 10.676 -7.873
292 HZ3 LYS 38 3HZ LYS 38 9.559 10.597 -9.214
293 H GLY 39 H GLY 39 6.482 8.183 -2.193
294 HA2 GLY 39 1HA GLY 39 8.308 7.352 -1.006
295 HA3 GLY 39 2HA GLY 39 8.894 8.981 -0.732
296 H ASP 40 H ASP 40 5.646 7.437 -0.187
297 HA ASP 40 HA ASP 40 5.811 8.480 2.522
298 HB2 ASP 40 1HB ASP 40 3.512 7.758 0.675
299 HB3 ASP 40 2HB ASP 40 3.246 7.855 2.405
300 H VAL 41 H VAL 41 5.491 7.017 4.304
301 HA VAL 41 HA VAL 41 5.742 4.209 3.587
302 HB VAL 41 HB VAL 41 6.127 5.778 6.137
303 HG11 VAL 41 1HG1 VAL 41 6.003 3.925 7.373
304 HG12 VAL 41 2HG1 VAL 41 5.365 3.071 5.948
305 HG13 VAL 41 3HG1 VAL 41 7.113 3.063 6.281
306 HG21 VAL 41 1HG2 VAL 41 7.911 6.027 4.483
307 HG22 VAL 41 2HG2 VAL 41 8.478 5.082 5.882
308 HG23 VAL 41 3HG2 VAL 41 8.065 4.258 4.359
309 H VAL 42 H VAL 42 4.117 2.736 3.817
310 HA VAL 42 HA VAL 42 1.855 3.476 5.504
311 HB VAL 42 HB VAL 42 0.305 2.737 3.707
312 HG11 VAL 42 1HG1 VAL 42 1.795 5.045 2.534
313 HG12 VAL 42 2HG1 VAL 42 0.063 4.863 2.899
314 HG13 VAL 42 3HG1 VAL 42 1.219 5.198 4.211
315 HG21 VAL 42 1HG2 VAL 42 1.543 3.134 1.333
316 HG22 VAL 42 2HG2 VAL 42 2.873 2.395 2.256
317 HG23 VAL 42 3HG2 VAL 42 1.326 1.532 2.078
318 H THR 43 H THR 43 0.767 1.672 6.408
319 HA THR 43 HA THR 43 2.290 -0.820 6.136
320 HB THR 43 HB THR 43 0.451 0.339 8.290
321 HG1 THR 43 1HG THR 43 2.716 1.076 8.081
322 HG21 THR 43 1HG2 THR 43 0.906 -1.627 9.621
323 HG22 THR 43 2HG2 THR 43 0.336 -2.242 8.050
324 HG23 THR 43 3HG2 THR 43 2.075 -2.244 8.429
325 H ILE 44 H ILE 44 1.468 -2.615 5.231
326 HA ILE 44 HA ILE 44 -0.949 -2.420 3.808
327 HB ILE 44 HB ILE 44 0.818 -4.774 4.481
328 HG12 ILE 44 1HG1 ILE 44 1.956 -3.034 3.204
329 HG13 ILE 44 2HG1 ILE 44 1.707 -4.469 2.231
330 HG21 ILE 44 1HG2 ILE 44 -1.776 -4.972 3.649
331 HG22 ILE 44 2HG2 ILE 44 -0.903 -4.933 2.099
332 HG23 ILE 44 3HG2 ILE 44 -0.498 -6.166 3.318
333 HD11 ILE 44 1HD1 ILE 44 0.712 -1.756 1.800
334 HD12 ILE 44 2HD1 ILE 44 0.730 -3.138 0.679
335 HD13 ILE 44 3HD1 ILE 44 -0.626 -2.930 1.812
336 H LEU 45 H LEU 45 -2.764 -1.998 5.041
337 HA LEU 45 HA LEU 45 -3.222 -3.262 7.521
338 HB2 LEU 45 1HB LEU 45 -5.129 -1.847 5.653
339 HB3 LEU 45 2HB LEU 45 -5.463 -2.278 7.318
340 HG LEU 45 HG LEU 45 -3.229 -0.411 6.485
341 HD11 LEU 45 1HD1 LEU 45 -4.616 1.337 6.411
342 HD12 LEU 45 2HD1 LEU 45 -5.913 0.133 6.216
343 HD13 LEU 45 3HD1 LEU 45 -5.540 0.786 7.830
344 HD21 LEU 45 1HD2 LEU 45 -3.917 -1.677 8.972
345 HD22 LEU 45 2HD2 LEU 45 -2.553 -0.601 8.588
346 HD23 LEU 45 3HD2 LEU 45 -4.106 0.086 9.121
347 H GLU 46 H GLU 46 -4.767 -3.709 4.259
348 HA GLU 46 HA GLU 46 -4.924 -6.519 4.851
349 HB2 GLU 46 1HB GLU 46 -7.064 -5.400 5.717
350 HB3 GLU 46 2HB GLU 46 -7.444 -5.007 4.052
351 HG2 GLU 46 1HG GLU 46 -7.291 -7.457 3.469
352 HG3 GLU 46 2HG GLU 46 -6.992 -7.820 5.157
353 H ALA 47 H ALA 47 -4.304 -7.623 3.040
354 HA ALA 47 HA ALA 47 -4.271 -6.134 0.535
355 HB1 ALA 47 1HB ALA 47 -2.399 -7.703 1.804
356 HB2 ALA 47 2HB ALA 47 -3.108 -8.851 0.643
357 HB3 ALA 47 3HB ALA 47 -2.398 -7.325 0.065
358 H CYS 48 H CYS 48 -5.051 -7.153 -1.462
359 HA CYS 48 HA CYS 48 -6.308 -8.581 -2.648
360 HB2 CYS 48 1HB CYS 48 -5.947 -10.255 -0.637
361 HB3 CYS 48 2HB CYS 48 -7.604 -9.839 -0.246
362 HG CYS 48 HG CYS 48 -6.862 -10.360 -3.380
363 H GLU 49 H GLU 49 -7.223 -6.378 -3.046
364 HA GLU 49 HA GLU 49 -9.980 -6.376 -2.592
365 HB2 GLU 49 1HB GLU 49 -8.996 -5.547 -0.330
366 HB3 GLU 49 2HB GLU 49 -8.570 -4.079 -1.188
367 HG2 GLU 49 1HG GLU 49 -10.813 -3.466 -1.551
368 HG3 GLU 49 2HG GLU 49 -11.394 -5.117 -1.456
369 H ASN 50 H ASN 50 -10.801 -5.469 -4.430
370 HA ASN 50 HA ASN 50 -11.005 -4.244 -6.207
371 HB2 ASN 50 1HB ASN 50 -9.387 -2.441 -4.441
372 HB3 ASN 50 2HB ASN 50 -9.340 -2.038 -6.146
373 HD21 ASN 50 1HD2 ASN 50 -11.356 -1.763 -7.287
374 HD22 ASN 50 2HD2 ASN 50 -12.752 -1.148 -6.467
375 H LYS 51 H LYS 51 -10.067 -5.577 -7.820
376 HA LYS 51 HA LYS 51 -7.542 -6.426 -8.079
377 HB2 LYS 51 1HB LYS 51 -9.334 -5.531 -10.357
378 HB3 LYS 51 2HB LYS 51 -7.982 -6.638 -10.485
379 HG2 LYS 51 1HG LYS 51 -9.849 -7.436 -8.348
380 HG3 LYS 51 2HG LYS 51 -10.651 -7.323 -9.903
381 HD2 LYS 51 1HD LYS 51 -7.997 -8.665 -10.005
382 HD3 LYS 51 2HD LYS 51 -9.184 -9.508 -9.029
383 HE2 LYS 51 1HE LYS 51 -10.760 -9.610 -10.894
384 HE3 LYS 51 2HE LYS 51 -9.769 -8.539 -11.864
385 HZ1 LYS 51 1HZ LYS 51 -8.038 -10.453 -11.302
386 HZ2 LYS 51 2HZ LYS 51 -9.415 -11.332 -11.311
387 HZ3 LYS 51 3HZ LYS 51 -8.989 -10.468 -12.630
388 H SER 52 H SER 52 -5.684 -5.309 -7.778
389 HA SER 52 HA SER 52 -4.041 -3.984 -8.429
390 HB2 SER 52 1HB SER 52 -5.440 -3.732 -10.666
391 HB3 SER 52 2HB SER 52 -5.850 -2.154 -10.022
392 HG SER 52 HG SER 52 -3.216 -3.189 -10.615
393 H TRP 53 H TRP 53 -5.176 -3.733 -5.992
394 HA TRP 53 HA TRP 53 -4.777 -0.977 -5.395
395 HB2 TRP 53 1HB TRP 53 -7.564 -2.116 -5.211
396 HB3 TRP 53 2HB TRP 53 -7.034 -0.749 -4.251
397 HD1 TRP 53 HD TRP 53 -8.159 -1.624 -7.775
398 HE1 TRP 53 1HE TRP 53 -8.366 0.514 -9.308
399 HE3 TRP 53 3HE TRP 53 -5.883 1.564 -4.534
400 HZ2 TRP 53 2HZ TRP 53 -7.572 3.238 -8.999
401 HZ3 TRP 53 3HZ TRP 53 -5.638 3.946 -5.226
402 HH2 TRP 53 HH TRP 53 -6.439 4.798 -7.373
403 H TYR 54 H TYR 54 -4.436 -0.715 -3.086
404 HA TYR 54 HA TYR 54 -4.625 -3.177 -1.519
405 HB2 TYR 54 1HB TYR 54 -2.231 -1.456 -2.303
406 HB3 TYR 54 2HB TYR 54 -2.220 -2.181 -0.707
407 HD1 TYR 54 1HD TYR 54 -2.081 -2.850 -4.324
408 HD2 TYR 54 2HD TYR 54 -1.967 -4.590 -0.417
409 HE1 TYR 54 1HE TYR 54 -1.189 -5.018 -5.308
410 HE2 TYR 54 2HE TYR 54 -1.076 -6.753 -1.414
411 HH TYR 54 HH TYR 54 0.174 -6.933 -4.499
412 H ARG 55 H ARG 55 -5.079 -2.846 0.660
413 HA ARG 55 HA ARG 55 -5.748 -0.118 1.285
414 HB2 ARG 55 1HB ARG 55 -7.328 -2.106 1.687
415 HB3 ARG 55 2HB ARG 55 -6.242 -2.628 2.959
416 HG2 ARG 55 1HG ARG 55 -6.779 -0.830 4.360
417 HG3 ARG 55 2HG ARG 55 -7.178 0.235 3.026
418 HD2 ARG 55 1HD ARG 55 -9.006 -2.018 2.981
419 HD3 ARG 55 2HD ARG 55 -8.970 -1.364 4.606
420 HE ARG 55 HE ARG 55 -10.078 -0.072 2.250
421 HH11 ARG 55 2HH2 ARG 55 -8.545 0.563 5.353
422 HH12 ARG 55 1HH2 ARG 55 -9.242 2.140 5.518
423 HH21 ARG 55 2HH1 ARG 55 -10.997 2.009 2.467
424 HH22 ARG 55 1HH1 ARG 55 -10.645 2.968 3.866
425 H VAL 56 H VAL 56 -4.172 1.117 2.263
426 HA VAL 56 HA VAL 56 -2.516 -0.224 4.284
427 HB VAL 56 HB VAL 56 -0.601 0.966 3.552
428 HG11 VAL 56 1HG1 VAL 56 -0.188 -0.013 1.414
429 HG12 VAL 56 2HG1 VAL 56 -1.301 -1.104 2.274
430 HG13 VAL 56 3HG1 VAL 56 -1.921 -0.019 1.006
431 HG21 VAL 56 1HG2 VAL 56 -2.343 2.358 1.489
432 HG22 VAL 56 2HG2 VAL 56 -1.721 3.096 2.984
433 HG23 VAL 56 3HG2 VAL 56 -0.590 2.569 1.714
434 H LYS 57 H LYS 57 -1.352 1.674 5.634
435 HA LYS 57 HA LYS 57 -3.450 3.652 6.198
436 HB2 LYS 57 1HB LYS 57 -3.436 1.927 7.919
437 HB3 LYS 57 2HB LYS 57 -1.712 2.128 8.161
438 HG2 LYS 57 1HG LYS 57 -2.810 4.744 8.388
439 HG3 LYS 57 2HG LYS 57 -3.919 3.701 9.256
440 HD2 LYS 57 1HD LYS 57 -2.004 2.748 10.558
441 HD3 LYS 57 2HD LYS 57 -0.895 3.792 9.690
442 HE2 LYS 57 1HE LYS 57 -2.491 5.741 10.533
443 HE3 LYS 57 2HE LYS 57 -3.018 4.558 11.714
444 HZ1 LYS 57 1HZ LYS 57 -1.241 5.195 12.838
445 HZ2 LYS 57 2HZ LYS 57 -0.333 4.358 11.769
446 HZ3 LYS 57 3HZ LYS 57 -0.560 5.963 11.567
447 H HIS 58 H HIS 58 -2.819 5.726 5.947
448 HA HIS 58 HA HIS 58 -0.130 6.261 5.241
449 HB2 HIS 58 1HB HIS 58 -2.383 7.394 4.515
450 HB3 HIS 58 2HB HIS 58 -2.137 8.387 5.938
451 HD2 HIS 58 2HD HIS 58 -0.965 8.194 2.294
452 HE1 HIS 58 1HE HIS 58 1.607 10.977 4.230
453 HE2 HIS 58 2HE HIS 58 0.862 9.943 1.979
454 H HIS 59 H HIS 59 1.571 6.702 6.552
455 HA HIS 59 HA HIS 59 1.276 6.641 9.322
456 HB2 HIS 59 1HB HIS 59 3.318 6.207 7.696
457 HB3 HIS 59 2HB HIS 59 3.668 7.893 8.019
458 HD1 HIS 59 1HD HIS 59 3.646 8.446 10.805
459 HD2 HIS 59 2HD HIS 59 4.474 4.540 9.517
460 HE1 HIS 59 1HE HIS 59 4.837 7.291 12.743
461 H THR 60 H THR 60 2.628 9.433 7.434
462 HA THR 60 HA THR 60 2.328 11.336 9.353
463 HB THR 60 HB THR 60 2.074 11.474 6.306
464 HG1 THR 60 1HG THR 60 4.141 12.072 8.306
465 HG21 THR 60 1HG2 THR 60 1.234 13.564 7.703
466 HG22 THR 60 2HG2 THR 60 2.956 13.754 8.113
467 HG23 THR 60 3HG2 THR 60 2.433 13.821 6.413
468 H SER 61 H SER 61 -0.098 10.811 6.700
469 HA SER 61 HA SER 61 -1.962 12.495 7.753
470 HB2 SER 61 1HB SER 61 -1.870 10.361 5.744
471 HB3 SER 61 2HB SER 61 -3.432 10.415 6.535
472 HG SER 61 HG SER 61 -3.332 12.829 6.092
473 H GLY 62 H GLY 62 -1.959 8.855 7.994
474 HA2 GLY 62 1HA GLY 62 -2.279 7.678 9.986
475 HA3 GLY 62 2HA GLY 62 -3.017 9.088 10.720
476 H GLN 63 H GLN 63 -3.980 8.382 7.421
477 HA GLN 63 HA GLN 63 -6.524 7.449 8.484
478 HB2 GLN 63 1HB GLN 63 -5.976 8.620 5.725
479 HB3 GLN 63 2HB GLN 63 -7.545 8.320 6.446
480 HG2 GLN 63 1HG GLN 63 -7.388 10.143 7.907
481 HG3 GLN 63 2HG GLN 63 -5.638 10.084 7.971
482 HE21 GLN 63 1HE2 GLN 63 -4.725 11.767 7.102
483 HE22 GLN 63 2HE2 GLN 63 -5.237 12.642 5.697
484 H GLU 64 H GLU 64 -7.723 6.166 6.431
485 HA GLU 64 HA GLU 64 -5.770 4.251 5.452
486 HB2 GLU 64 1HB GLU 64 -8.385 3.545 6.855
487 HB3 GLU 64 2HB GLU 64 -7.372 2.389 6.013
488 HG2 GLU 64 1HG GLU 64 -5.520 2.767 7.554
489 HG3 GLU 64 2HG GLU 64 -6.329 4.139 8.284
490 H GLY 65 H GLY 65 -5.924 4.250 3.255
491 HA2 GLY 65 1HA GLY 65 -8.619 4.348 2.068
492 HA3 GLY 65 2HA GLY 65 -7.386 5.473 1.536
493 H LEU 66 H LEU 66 -8.257 4.006 -0.481
494 HA LEU 66 HA LEU 66 -6.765 1.534 -0.655
495 HB2 LEU 66 1HB LEU 66 -8.696 2.931 -2.505
496 HB3 LEU 66 2HB LEU 66 -7.862 1.446 -2.920
497 HG LEU 66 HG LEU 66 -9.667 1.728 -0.505
498 HD11 LEU 66 1HD1 LEU 66 -11.280 1.960 -2.077
499 HD12 LEU 66 2HD1 LEU 66 -10.302 1.211 -3.361
500 HD13 LEU 66 3HD1 LEU 66 -11.117 0.189 -2.153
501 HD21 LEU 66 1HD2 LEU 66 -9.460 -0.936 -1.523
502 HD22 LEU 66 2HD2 LEU 66 -7.821 -0.279 -1.296
503 HD23 LEU 66 3HD2 LEU 66 -8.969 -0.297 0.064
504 H LEU 67 H LEU 67 -4.886 1.214 -1.801
505 HA LEU 67 HA LEU 67 -3.822 3.606 -3.136
506 HB2 LEU 67 1HB LEU 67 -2.809 2.194 -0.919
507 HB3 LEU 67 2HB LEU 67 -1.785 1.763 -2.274
508 HG LEU 67 HG LEU 67 -2.423 4.629 -1.544
509 HD11 LEU 67 1HD1 LEU 67 -1.233 4.261 0.320
510 HD12 LEU 67 2HD1 LEU 67 -0.561 2.728 -0.285
511 HD13 LEU 67 3HD1 LEU 67 0.171 4.275 -0.774
512 HD21 LEU 67 1HD2 LEU 67 -0.605 3.290 -3.509
513 HD22 LEU 67 2HD2 LEU 67 -1.639 4.727 -3.697
514 HD23 LEU 67 3HD2 LEU 67 -0.114 4.841 -2.785
515 H ALA 68 H ALA 68 -2.768 3.317 -5.139
516 HA ALA 68 HA ALA 68 -3.752 1.159 -6.666
517 HB1 ALA 68 1HB ALA 68 -2.243 3.643 -7.036
518 HB2 ALA 68 2HB ALA 68 -1.659 2.335 -8.093
519 HB3 ALA 68 3HB ALA 68 -3.371 2.821 -8.141
520 H ALA 69 H ALA 69 -2.952 -0.868 -6.937
521 HA ALA 69 HA ALA 69 -0.806 -1.790 -5.439
522 HB1 ALA 69 1HB ALA 69 -2.588 -3.239 -6.241
523 HB2 ALA 69 2HB ALA 69 -2.155 -2.897 -7.933
524 HB3 ALA 69 3HB ALA 69 -1.037 -3.816 -6.897
525 H GLY 70 H GLY 70 -1.012 -0.421 -8.737
526 HA2 GLY 70 1HA GLY 70 1.786 -1.060 -9.267
527 HA3 GLY 70 2HA GLY 70 0.627 -0.333 -10.363
528 H ALA 71 H ALA 71 1.321 0.682 -6.970
529 HA ALA 71 HA ALA 71 2.845 2.951 -7.909
530 HB1 ALA 71 1HB ALA 71 -0.012 3.088 -7.133
531 HB2 ALA 71 2HB ALA 71 1.043 4.262 -6.310
532 HB3 ALA 71 3HB ALA 71 0.971 4.224 -8.088
533 H LEU 72 H LEU 72 3.038 0.415 -6.199
534 HA LEU 72 HA LEU 72 3.997 1.800 -3.799
535 HB2 LEU 72 1HB LEU 72 2.566 -0.861 -3.856
536 HB3 LEU 72 2HB LEU 72 3.282 -0.105 -2.447
537 HG LEU 72 HG LEU 72 1.095 1.251 -4.025
538 HD11 LEU 72 1HD1 LEU 72 0.732 -1.205 -2.851
539 HD12 LEU 72 2HD1 LEU 72 0.253 -0.085 -1.553
540 HD13 LEU 72 3HD1 LEU 72 -0.540 0.006 -3.144
541 HD21 LEU 72 1HD2 LEU 72 2.252 2.737 -2.560
542 HD22 LEU 72 2HD2 LEU 72 0.685 2.349 -1.808
543 HD23 LEU 72 3HD2 LEU 72 2.173 1.573 -1.216
544 H ARG 73 H ARG 73 5.861 0.780 -2.780
545 HA ARG 73 HA ARG 73 7.094 -1.283 -4.368
546 HB2 ARG 73 1HB ARG 73 9.270 -0.013 -4.439
547 HB3 ARG 73 2HB ARG 73 8.006 0.760 -5.374
548 HG2 ARG 73 1HG ARG 73 8.374 2.654 -4.183
549 HG3 ARG 73 2HG ARG 73 7.701 1.842 -2.783
550 HD2 ARG 73 1HD ARG 73 9.805 1.315 -1.892
551 HD3 ARG 73 2HD ARG 73 10.584 1.275 -3.461
552 HE ARG 73 HE ARG 73 9.658 3.947 -2.926
553 HH11 ARG 73 2HH2 ARG 73 12.150 1.664 -1.945
554 HH12 ARG 73 1HH2 ARG 73 13.279 2.896 -1.490
555 HH21 ARG 73 2HH1 ARG 73 11.147 5.573 -2.325
556 HH22 ARG 73 1HH1 ARG 73 12.704 5.134 -1.707
557 H GLU 74 H GLU 74 9.329 -1.910 -3.188
558 HA GLU 74 HA GLU 74 8.605 -2.184 -0.415
559 HB2 GLU 74 1HB GLU 74 9.545 -4.013 -2.139
560 HB3 GLU 74 2HB GLU 74 11.095 -3.415 -1.580
561 HG2 GLU 74 1HG GLU 74 9.865 -3.691 0.830
562 HG3 GLU 74 2HG GLU 74 8.971 -4.904 -0.064
563 H ARG 75 H ARG 75 9.238 -0.558 0.943
564 HA ARG 75 HA ARG 75 10.975 1.385 0.430
565 HB2 ARG 75 1HB ARG 75 9.483 1.169 2.466
566 HB3 ARG 75 2HB ARG 75 10.635 0.047 3.161
567 HG2 ARG 75 1HG ARG 75 12.416 1.863 2.955
568 HG3 ARG 75 2HG ARG 75 11.155 2.971 2.452
569 HD2 ARG 75 1HD ARG 75 9.981 2.721 4.587
570 HD3 ARG 75 2HD ARG 75 11.043 1.418 5.079
571 HE ARG 75 HE ARG 75 12.803 3.498 4.597
572 HH11 ARG 75 2HH2 ARG 75 9.903 3.177 6.565
573 HH12 ARG 75 1HH2 ARG 75 10.418 4.341 7.740
574 HH21 ARG 75 2HH1 ARG 75 13.482 5.033 6.147
575 HH22 ARG 75 1HH1 ARG 75 12.467 5.404 7.501
576 H SER 76 H SER 76 13.133 1.401 -0.112
577 HA SER 76 HA SER 76 15.244 0.903 -0.187
578 HB2 SER 76 1HB SER 76 14.880 -0.596 2.444
579 HB3 SER 76 2HB SER 76 16.394 -0.003 1.790
580 HG SER 76 HG SER 76 15.976 1.789 2.877
581 H GLY 77 H GLY 77 15.791 -0.486 -1.828
582 HA2 GLY 77 1HA GLY 77 16.055 -3.279 -1.354
583 HA3 GLY 77 2HA GLY 77 14.636 -2.946 -2.327
584 HA PRO 78 HA PRO 78 18.447 -2.864 -4.949
585 HB2 PRO 78 1HB PRO 78 18.285 -5.303 -6.170
586 HB3 PRO 78 2HB PRO 78 19.303 -4.994 -4.778
587 HG2 PRO 78 1HG PRO 78 16.732 -6.446 -4.908
588 HG3 PRO 78 2HG PRO 78 17.953 -6.488 -3.652
589 HD2 PRO 78 1HD PRO 78 15.452 -5.086 -3.567
590 HD3 PRO 78 2HD PRO 78 16.724 -5.034 -2.363
591 H SER 79 H SER 79 17.910 -1.327 -6.374
592 HA SER 79 HA SER 79 16.788 -2.105 -8.749
593 HB2 SER 79 1HB SER 79 14.802 -1.502 -6.678
594 HB3 SER 79 2HB SER 79 14.636 -0.417 -8.044
595 HG SER 79 HG SER 79 13.857 -3.007 -7.854
596 H SER 80 H SER 80 17.655 -0.609 -10.141
597 HA SER 80 HA SER 80 18.802 1.725 -9.127
598 HB2 SER 80 1HB SER 80 19.110 0.210 -11.402
599 HB3 SER 80 2HB SER 80 18.256 1.594 -12.055
600 HG SER 80 HG SER 80 20.017 2.794 -11.842
601 H GLY 81 H GLY 81 17.205 3.050 -8.127
602 HA2 GLY 81 1HA GLY 81 15.479 4.476 -10.021
603 HA3 GLY 81 2HA GLY 81 14.730 3.695 -8.643
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -12.058 -23.187 4.158
2 HA2 GLY 1 1HA GLY 1 -14.306 -22.899 2.689
3 HA3 GLY 1 2HA GLY 1 -13.636 -21.280 2.668
4 H SER 2 H SER 2 -13.806 -23.960 0.823
5 HA SER 2 HA SER 2 -11.774 -23.211 -0.854
6 HB2 SER 2 1HB SER 2 -10.641 -24.505 1.309
7 HB3 SER 2 2HB SER 2 -10.875 -25.843 0.201
8 HG SER 2 HG SER 2 -9.777 -24.451 -1.454
9 H SER 3 H SER 3 -13.148 -23.642 -2.574
10 HA SER 3 HA SER 3 -13.865 -26.437 -2.894
11 HB2 SER 3 1HB SER 3 -16.087 -25.550 -3.918
12 HB3 SER 3 2HB SER 3 -15.950 -25.612 -2.172
13 HG SER 3 HG SER 3 -15.024 -23.204 -3.264
14 H GLY 4 H GLY 4 -13.171 -27.164 -4.876
15 HA2 GLY 4 1HA GLY 4 -13.339 -26.793 -7.286
16 HA3 GLY 4 2HA GLY 4 -12.817 -25.143 -7.010
17 H SER 5 H SER 5 -10.871 -25.161 -8.162
18 HA SER 5 HA SER 5 -8.808 -26.767 -6.920
19 HB2 SER 5 1HB SER 5 -9.377 -28.105 -8.847
20 HB3 SER 5 2HB SER 5 -9.449 -26.701 -9.893
21 HG SER 5 HG SER 5 -7.387 -28.238 -9.684
22 H SER 6 H SER 6 -7.168 -25.397 -6.329
23 HA SER 6 HA SER 6 -6.694 -23.119 -8.076
24 HB2 SER 6 1HB SER 6 -7.909 -22.184 -6.216
25 HB3 SER 6 2HB SER 6 -6.989 -23.112 -5.049
26 HG SER 6 HG SER 6 -6.446 -20.642 -6.054
27 H GLY 7 H GLY 7 -4.537 -22.893 -8.622
28 HA2 GLY 7 1HA GLY 7 -2.624 -24.603 -7.163
29 HA3 GLY 7 2HA GLY 7 -2.497 -24.110 -8.840
30 H ARG 8 H ARG 8 -0.287 -23.360 -8.224
31 HA ARG 8 HA ARG 8 -0.324 -20.982 -6.585
32 HB2 ARG 8 1HB ARG 8 2.204 -21.179 -6.764
33 HB3 ARG 8 2HB ARG 8 1.435 -22.569 -6.026
34 HG2 ARG 8 1HG ARG 8 1.707 -22.710 -8.997
35 HG3 ARG 8 2HG ARG 8 3.222 -22.717 -8.115
36 HD2 ARG 8 1HD ARG 8 2.666 -24.711 -6.922
37 HD3 ARG 8 2HD ARG 8 0.953 -24.546 -7.255
38 HE ARG 8 HE ARG 8 2.464 -24.798 -9.718
39 HH11 ARG 8 2HH2 ARG 8 1.173 -26.657 -7.023
40 HH12 ARG 8 1HH2 ARG 8 1.071 -28.133 -7.923
41 HH21 ARG 8 2HH1 ARG 8 2.328 -26.745 -10.907
42 HH22 ARG 8 1HH1 ARG 8 1.732 -28.183 -10.147
43 H MET 9 H MET 9 -1.682 -20.491 -8.913
44 HA MET 9 HA MET 9 -0.034 -19.766 -11.056
45 HB2 MET 9 1HB MET 9 -2.840 -19.851 -10.386
46 HB3 MET 9 2HB MET 9 -2.511 -18.224 -10.948
47 HG2 MET 9 1HG MET 9 -1.909 -18.930 -13.100
48 HG3 MET 9 2HG MET 9 -1.356 -20.500 -12.552
49 HE1 MET 9 1HE MET 9 -5.683 -19.097 -12.843
50 HE2 MET 9 2HE MET 9 -4.203 -18.132 -12.621
51 HE3 MET 9 3HE MET 9 -4.628 -18.752 -14.235
52 HA PRO 10 HA PRO 10 -0.476 -15.412 -9.220
53 HB2 PRO 10 1HB PRO 10 -1.514 -15.084 -6.713
54 HB3 PRO 10 2HB PRO 10 -2.466 -14.914 -8.175
55 HG2 PRO 10 1HG PRO 10 -2.438 -17.140 -6.229
56 HG3 PRO 10 2HG PRO 10 -3.650 -16.749 -7.433
57 HD2 PRO 10 1HD PRO 10 -1.684 -18.832 -7.590
58 HD3 PRO 10 2HD PRO 10 -2.820 -18.367 -8.841
59 H THR 11 H THR 11 1.092 -14.108 -8.223
60 HA THR 11 HA THR 11 3.000 -15.783 -6.755
61 HB THR 11 HB THR 11 3.292 -13.085 -8.182
62 HG1 THR 11 1HG THR 11 4.098 -14.475 -9.837
63 HG21 THR 11 1HG2 THR 11 5.374 -13.026 -7.243
64 HG22 THR 11 2HG2 THR 11 5.056 -14.551 -6.381
65 HG23 THR 11 3HG2 THR 11 5.725 -14.584 -8.030
66 H ARG 12 H ARG 12 3.366 -15.559 -4.635
67 HA ARG 12 HA ARG 12 1.757 -14.321 -2.971
68 HB2 ARG 12 1HB ARG 12 4.298 -15.540 -2.793
69 HB3 ARG 12 2HB ARG 12 4.536 -13.977 -2.037
70 HG2 ARG 12 1HG ARG 12 3.247 -14.517 -0.226
71 HG3 ARG 12 2HG ARG 12 2.001 -15.256 -1.213
72 HD2 ARG 12 1HD ARG 12 3.207 -17.353 -1.344
73 HD3 ARG 12 2HD ARG 12 4.676 -16.633 -0.714
74 HE ARG 12 HE ARG 12 2.714 -16.209 1.264
75 HH11 ARG 12 2HH2 ARG 12 4.225 -18.970 -0.310
76 HH12 ARG 12 1HH2 ARG 12 4.033 -20.017 1.057
77 HH21 ARG 12 2HH1 ARG 12 2.460 -17.590 3.067
78 HH22 ARG 12 1HH1 ARG 12 3.022 -19.226 2.990
79 H ARG 13 H ARG 13 1.374 -12.238 -2.134
80 HA ARG 13 HA ARG 13 3.038 -10.162 -3.316
81 HB2 ARG 13 1HB ARG 13 0.082 -10.219 -2.576
82 HB3 ARG 13 2HB ARG 13 0.921 -8.699 -2.814
83 HG2 ARG 13 1HG ARG 13 0.527 -8.920 -5.037
84 HG3 ARG 13 2HG ARG 13 1.682 -10.238 -5.049
85 HD2 ARG 13 1HD ARG 13 0.032 -11.882 -5.050
86 HD3 ARG 13 2HD ARG 13 -1.091 -10.915 -4.114
87 HE ARG 13 HE ARG 13 -1.922 -9.966 -6.099
88 HH11 ARG 13 2HH2 ARG 13 1.079 -11.678 -6.768
89 HH12 ARG 13 1HH2 ARG 13 0.916 -11.553 -8.488
90 HH21 ARG 13 2HH1 ARG 13 -2.138 -9.801 -8.368
91 HH22 ARG 13 1HH1 ARG 13 -0.926 -10.477 -9.404
92 H TRP 14 H TRP 14 2.437 -7.956 -1.798
93 HA TRP 14 HA TRP 14 3.860 -8.401 0.565
94 HB2 TRP 14 1HB TRP 14 2.138 -6.083 -0.327
95 HB3 TRP 14 2HB TRP 14 3.136 -6.069 1.113
96 HD1 TRP 14 HD TRP 14 5.868 -7.213 0.085
97 HE1 TRP 14 1HE TRP 14 7.396 -6.000 -1.692
98 HE3 TRP 14 3HE TRP 14 2.162 -4.386 -1.948
99 HZ2 TRP 14 2HZ TRP 14 6.894 -4.039 -3.704
100 HZ3 TRP 14 3HZ TRP 14 2.766 -2.849 -3.815
101 HH2 TRP 14 HH TRP 14 5.038 -2.649 -4.694
102 H ALA 15 H ALA 15 3.190 -8.820 2.677
103 HA ALA 15 HA ALA 15 0.421 -9.651 2.942
104 HB1 ALA 15 1HB ALA 15 1.798 -10.068 5.356
105 HB2 ALA 15 2HB ALA 15 1.484 -11.273 4.084
106 HB3 ALA 15 3HB ALA 15 3.010 -10.356 4.085
107 HA PRO 16 HA PRO 16 -0.753 -6.333 5.465
108 HB2 PRO 16 1HB PRO 16 -2.147 -7.436 7.541
109 HB3 PRO 16 2HB PRO 16 -2.821 -7.228 5.937
110 HG2 PRO 16 1HG PRO 16 -1.871 -9.705 7.241
111 HG3 PRO 16 2HG PRO 16 -2.917 -9.531 5.847
112 HD2 PRO 16 1HD PRO 16 -0.139 -10.245 5.829
113 HD3 PRO 16 2HD PRO 16 -1.156 -9.957 4.432
114 H GLY 17 H GLY 17 0.594 -4.948 6.406
115 HA2 GLY 17 1HA GLY 17 1.343 -4.341 8.659
116 HA3 GLY 17 2HA GLY 17 1.920 -5.985 8.842
117 H THR 18 H THR 18 2.431 -5.328 5.616
118 HA THR 18 HA THR 18 5.241 -4.821 6.092
119 HB THR 18 HB THR 18 3.552 -5.451 3.616
120 HG1 THR 18 1HG THR 18 5.612 -6.887 5.129
121 HG21 THR 18 1HG2 THR 18 6.412 -6.073 3.481
122 HG22 THR 18 2HG2 THR 18 5.412 -5.177 2.313
123 HG23 THR 18 3HG2 THR 18 6.163 -4.322 3.682
124 H GLN 19 H GLN 19 6.455 -3.076 5.292
125 HA GLN 19 HA GLN 19 4.830 -0.701 5.048
126 HB2 GLN 19 1HB GLN 19 7.799 -1.148 5.552
127 HB3 GLN 19 2HB GLN 19 7.122 0.446 5.283
128 HG2 GLN 19 1HG GLN 19 5.696 0.271 7.243
129 HG3 GLN 19 2HG GLN 19 6.043 -1.437 7.424
130 HE21 GLN 19 1HE2 GLN 19 6.796 1.633 8.426
131 HE22 GLN 19 2HE2 GLN 19 8.323 1.359 9.196
132 H CYS 20 H CYS 20 4.304 0.047 3.045
133 HA CYS 20 HA CYS 20 6.158 -0.616 0.877
134 HB2 CYS 20 1HB CYS 20 3.164 -0.125 0.780
135 HB3 CYS 20 2HB CYS 20 4.181 -0.318 -0.634
136 HG CYS 20 HG CYS 20 2.719 -2.430 1.034
137 H ILE 21 H ILE 21 6.600 1.112 -0.689
138 HA ILE 21 HA ILE 21 6.016 3.773 0.412
139 HB ILE 21 HB ILE 21 8.427 3.015 -1.228
140 HG12 ILE 21 1HG1 ILE 21 8.662 1.677 0.705
141 HG13 ILE 21 2HG1 ILE 21 9.663 3.091 0.970
142 HG21 ILE 21 1HG2 ILE 21 9.320 5.112 -0.557
143 HG22 ILE 21 2HG2 ILE 21 7.664 5.415 -1.135
144 HG23 ILE 21 3HG2 ILE 21 8.004 5.378 0.612
145 HD11 ILE 21 1HD1 ILE 21 7.259 2.192 2.433
146 HD12 ILE 21 2HD1 ILE 21 8.570 3.273 2.960
147 HD13 ILE 21 3HD1 ILE 21 7.216 3.919 2.002
148 H THR 22 H THR 22 5.636 5.492 -1.147
149 HA THR 22 HA THR 22 4.232 4.470 -3.466
150 HB THR 22 HB THR 22 3.666 7.013 -3.595
151 HG1 THR 22 1HG THR 22 4.945 8.136 -2.183
152 HG21 THR 22 1HG2 THR 22 3.050 5.332 -1.118
153 HG22 THR 22 2HG2 THR 22 2.343 6.946 -1.372
154 HG23 THR 22 3HG2 THR 22 1.993 5.630 -2.518
155 H LYS 23 H LYS 23 4.842 4.584 -5.562
156 HA LYS 23 HA LYS 23 7.586 5.268 -6.038
157 HB2 LYS 23 1HB LYS 23 5.358 4.062 -7.669
158 HB3 LYS 23 2HB LYS 23 6.832 4.607 -8.443
159 HG2 LYS 23 1HG LYS 23 8.162 2.998 -7.381
160 HG3 LYS 23 2HG LYS 23 7.113 2.891 -5.982
161 HD2 LYS 23 1HD LYS 23 6.763 0.843 -7.159
162 HD3 LYS 23 2HD LYS 23 5.355 1.817 -7.533
163 HE2 LYS 23 1HE LYS 23 5.875 1.916 -9.755
164 HE3 LYS 23 2HE LYS 23 7.552 2.309 -9.434
165 HZ1 LYS 23 1HZ LYS 23 8.113 0.112 -9.331
166 HZ2 LYS 23 2HZ LYS 23 6.612 -0.403 -8.946
167 HZ3 LYS 23 3HZ LYS 23 6.948 0.064 -10.474
168 H CYS 24 H CYS 24 4.513 6.882 -6.096
169 HA CYS 24 HA CYS 24 5.837 9.191 -7.244
170 HB2 CYS 24 1HB CYS 24 3.312 7.972 -8.388
171 HB3 CYS 24 2HB CYS 24 3.740 9.653 -8.634
172 HG CYS 24 HG CYS 24 4.628 8.779 -10.752
173 H GLU 25 H GLU 25 3.938 11.084 -7.101
174 HA GLU 25 HA GLU 25 2.948 10.794 -4.378
175 HB2 GLU 25 1HB GLU 25 3.076 13.219 -4.202
176 HB3 GLU 25 2HB GLU 25 4.611 12.619 -4.798
177 HG2 GLU 25 1HG GLU 25 3.377 13.020 -7.186
178 HG3 GLU 25 2HG GLU 25 2.498 14.201 -6.236
179 H HIS 26 H HIS 26 0.763 11.274 -3.878
180 HA HIS 26 HA HIS 26 -0.915 11.762 -6.230
181 HB2 HIS 26 1HB HIS 26 -0.839 9.410 -4.893
182 HB3 HIS 26 2HB HIS 26 -2.054 10.244 -3.945
183 HD1 HIS 26 1HD HIS 26 -1.695 10.701 -7.703
184 HD2 HIS 26 2HD HIS 26 -4.240 8.836 -4.938
185 HE1 HIS 26 1HE HIS 26 -3.730 9.911 -9.024
186 H THR 27 H THR 27 -1.550 13.865 -6.071
187 HA THR 27 HA THR 27 -2.052 14.958 -3.413
188 HB THR 27 HB THR 27 -2.121 17.112 -4.725
189 HG1 THR 27 1HG THR 27 -2.889 16.339 -6.743
190 HG21 THR 27 1HG2 THR 27 0.159 17.151 -4.613
191 HG22 THR 27 2HG2 THR 27 0.168 15.379 -4.442
192 HG23 THR 27 3HG2 THR 27 0.248 16.118 -6.059
193 H ARG 28 H ARG 28 -3.742 14.234 -6.504
194 HA ARG 28 HA ARG 28 -6.200 14.716 -5.017
195 HB2 ARG 28 1HB ARG 28 -5.373 15.444 -7.810
196 HB3 ARG 28 2HB ARG 28 -7.025 14.889 -7.625
197 HG2 ARG 28 1HG ARG 28 -7.450 16.606 -5.895
198 HG3 ARG 28 2HG ARG 28 -5.774 17.116 -5.948
199 HD2 ARG 28 1HD ARG 28 -6.057 17.767 -8.358
200 HD3 ARG 28 2HD ARG 28 -7.737 17.274 -8.288
201 HE ARG 28 HE ARG 28 -7.078 19.180 -6.184
202 HH11 ARG 28 2HH2 ARG 28 -7.938 18.892 -9.584
203 HH12 ARG 28 1HH2 ARG 28 -8.597 20.490 -9.684
204 HH21 ARG 28 2HH1 ARG 28 -7.947 21.289 -6.316
205 HH22 ARG 28 1HH1 ARG 28 -8.602 21.863 -7.813
206 HA PRO 29 HA PRO 29 -6.266 10.358 -6.094
207 HB2 PRO 29 1HB PRO 29 -7.568 9.494 -3.852
208 HB3 PRO 29 2HB PRO 29 -5.823 9.587 -3.970
209 HG2 PRO 29 1HG PRO 29 -7.680 11.376 -2.524
210 HG3 PRO 29 2HG PRO 29 -5.950 11.191 -2.317
211 HD2 PRO 29 1HD PRO 29 -7.297 13.334 -3.666
212 HD3 PRO 29 2HD PRO 29 -5.566 13.087 -3.559
213 H LYS 30 H LYS 30 -8.091 8.662 -6.224
214 HA LYS 30 HA LYS 30 -10.025 9.731 -7.859
215 HB2 LYS 30 1HB LYS 30 -9.357 7.172 -6.716
216 HB3 LYS 30 2HB LYS 30 -11.093 7.397 -6.648
217 HG2 LYS 30 1HG LYS 30 -10.770 8.275 -9.152
218 HG3 LYS 30 2HG LYS 30 -9.280 7.358 -9.069
219 HD2 LYS 30 1HD LYS 30 -11.565 5.839 -7.990
220 HD3 LYS 30 2HD LYS 30 -11.836 6.334 -9.649
221 HE2 LYS 30 1HE LYS 30 -9.563 5.380 -10.254
222 HE3 LYS 30 2HE LYS 30 -9.410 4.793 -8.610
223 HZ1 LYS 30 1HZ LYS 30 -10.441 3.335 -10.476
224 HZ2 LYS 30 2HZ LYS 30 -11.001 3.242 -8.945
225 HZ3 LYS 30 3HZ LYS 30 -11.821 4.105 -10.063
226 HA PRO 31 HA PRO 31 -13.169 11.211 -5.287
227 HB2 PRO 31 1HB PRO 31 -15.509 10.176 -6.248
228 HB3 PRO 31 2HB PRO 31 -14.666 11.510 -7.011
229 HG2 PRO 31 1HG PRO 31 -14.824 8.685 -7.867
230 HG3 PRO 31 2HG PRO 31 -14.365 10.092 -8.805
231 HD2 PRO 31 1HD PRO 31 -12.604 8.110 -7.711
232 HD3 PRO 31 2HD PRO 31 -12.139 9.577 -8.548
233 H GLY 32 H GLY 32 -12.377 10.345 -3.317
234 HA2 GLY 32 1HA GLY 32 -13.570 9.516 -1.373
235 HA3 GLY 32 2HA GLY 32 -14.170 8.195 -2.357
236 H GLU 33 H GLU 33 -10.891 9.199 -3.049
237 HA GLU 33 HA GLU 33 -9.982 6.798 -1.678
238 HB2 GLU 33 1HB GLU 33 -9.098 8.235 -4.180
239 HB3 GLU 33 2HB GLU 33 -7.919 7.282 -3.300
240 HG2 GLU 33 1HG GLU 33 -10.585 6.289 -4.411
241 HG3 GLU 33 2HG GLU 33 -8.992 5.889 -5.022
242 H LEU 34 H LEU 34 -7.430 7.037 -1.140
243 HA LEU 34 HA LEU 34 -7.292 9.418 0.537
244 HB2 LEU 34 1HB LEU 34 -6.973 7.558 1.848
245 HB3 LEU 34 2HB LEU 34 -6.095 6.684 0.608
246 HG LEU 34 HG LEU 34 -4.276 8.558 0.990
247 HD11 LEU 34 1HD1 LEU 34 -4.216 9.622 3.044
248 HD12 LEU 34 2HD1 LEU 34 -5.941 9.715 2.616
249 HD13 LEU 34 3HD1 LEU 34 -5.378 8.496 3.784
250 HD21 LEU 34 1HD2 LEU 34 -4.208 6.715 3.275
251 HD22 LEU 34 2HD2 LEU 34 -4.545 5.928 1.714
252 HD23 LEU 34 3HD2 LEU 34 -3.076 6.913 1.916
253 H ALA 35 H ALA 35 -5.277 10.671 0.643
254 HA ALA 35 HA ALA 35 -3.888 10.608 -1.949
255 HB1 ALA 35 1HB ALA 35 -3.821 13.098 -0.350
256 HB2 ALA 35 2HB ALA 35 -4.122 12.862 -2.088
257 HB3 ALA 35 3HB ALA 35 -5.441 12.626 -0.916
258 H PHE 36 H PHE 36 -1.582 11.374 -1.854
259 HA PHE 36 HA PHE 36 -0.275 11.468 0.650
260 HB2 PHE 36 1HB PHE 36 1.024 9.293 0.196
261 HB3 PHE 36 2HB PHE 36 -0.661 9.037 0.606
262 HD1 PHE 36 2HD PHE 36 1.711 9.193 -2.232
263 HD2 PHE 36 1HD PHE 36 -2.125 7.959 -0.900
264 HE1 PHE 36 2HE PHE 36 1.393 7.891 -4.354
265 HE2 PHE 36 1HE PHE 36 -2.442 6.656 -3.022
266 HZ PHE 36 HZ PHE 36 -0.680 6.638 -4.724
267 H ARG 37 H ARG 37 2.225 11.377 0.286
268 HA ARG 37 HA ARG 37 2.685 12.660 -2.281
269 HB2 ARG 37 1HB ARG 37 3.940 12.977 0.466
270 HB3 ARG 37 2HB ARG 37 4.855 13.447 -0.953
271 HG2 ARG 37 1HG ARG 37 2.025 14.451 -0.418
272 HG3 ARG 37 2HG ARG 37 3.450 15.298 0.150
273 HD2 ARG 37 1HD ARG 37 3.652 14.582 -2.708
274 HD3 ARG 37 2HD ARG 37 2.254 15.586 -2.377
275 HE ARG 37 HE ARG 37 5.045 16.402 -2.234
276 HH11 ARG 37 2HH2 ARG 37 1.841 17.033 -0.925
277 HH12 ARG 37 1HH2 ARG 37 2.202 18.670 -0.487
278 HH21 ARG 37 2HH1 ARG 37 5.523 18.561 -1.657
279 HH22 ARG 37 1HH1 ARG 37 4.310 19.545 -0.907
280 H LYS 38 H LYS 38 5.221 12.439 -2.905
281 HA LYS 38 HA LYS 38 5.633 9.688 -3.368
282 HB2 LYS 38 1HB LYS 38 6.291 11.540 -4.903
283 HB3 LYS 38 2HB LYS 38 7.542 12.009 -3.769
284 HG2 LYS 38 1HG LYS 38 8.445 9.609 -3.933
285 HG3 LYS 38 2HG LYS 38 7.314 9.349 -5.246
286 HD2 LYS 38 1HD LYS 38 8.492 11.709 -6.052
287 HD3 LYS 38 2HD LYS 38 9.825 10.960 -5.198
288 HE2 LYS 38 1HE LYS 38 9.446 8.851 -6.563
289 HE3 LYS 38 2HE LYS 38 8.218 9.706 -7.475
290 HZ1 LYS 38 1HZ LYS 38 11.024 10.553 -7.252
291 HZ2 LYS 38 2HZ LYS 38 10.374 9.781 -8.536
292 HZ3 LYS 38 3HZ LYS 38 9.874 11.287 -8.150
293 H GLY 39 H GLY 39 7.068 8.212 -2.444
294 HA2 GLY 39 1HA GLY 39 8.425 7.319 -0.886
295 HA3 GLY 39 2HA GLY 39 9.045 8.924 -0.555
296 H ASP 40 H ASP 40 5.707 7.521 -0.238
297 HA ASP 40 HA ASP 40 5.689 8.584 2.455
298 HB2 ASP 40 1HB ASP 40 3.729 9.290 1.389
299 HB3 ASP 40 2HB ASP 40 3.613 7.842 0.409
300 H VAL 41 H VAL 41 5.289 7.181 4.276
301 HA VAL 41 HA VAL 41 5.676 4.351 3.682
302 HB VAL 41 HB VAL 41 5.933 6.000 6.202
303 HG11 VAL 41 1HG1 VAL 41 6.230 4.141 7.472
304 HG12 VAL 41 2HG1 VAL 41 5.189 3.401 6.232
305 HG13 VAL 41 3HG1 VAL 41 6.956 3.210 6.139
306 HG21 VAL 41 1HG2 VAL 41 8.350 4.730 5.641
307 HG22 VAL 41 2HG2 VAL 41 7.757 5.260 4.048
308 HG23 VAL 41 3HG2 VAL 41 7.960 6.444 5.362
309 H VAL 42 H VAL 42 4.129 2.805 4.079
310 HA VAL 42 HA VAL 42 1.800 3.584 5.636
311 HB VAL 42 HB VAL 42 0.273 2.805 3.891
312 HG11 VAL 42 1HG1 VAL 42 1.269 5.257 4.132
313 HG12 VAL 42 2HG1 VAL 42 1.899 4.903 2.505
314 HG13 VAL 42 3HG1 VAL 42 0.148 4.830 2.817
315 HG21 VAL 42 1HG2 VAL 42 1.318 1.339 2.473
316 HG22 VAL 42 2HG2 VAL 42 1.424 2.820 1.491
317 HG23 VAL 42 3HG2 VAL 42 2.832 2.275 2.435
318 H THR 43 H THR 43 0.436 1.639 6.172
319 HA THR 43 HA THR 43 2.114 -0.785 6.164
320 HB THR 43 HB THR 43 0.268 0.386 8.309
321 HG1 THR 43 1HG THR 43 2.502 1.222 8.013
322 HG21 THR 43 1HG2 THR 43 1.036 -1.510 9.711
323 HG22 THR 43 2HG2 THR 43 0.176 -2.136 8.284
324 HG23 THR 43 3HG2 THR 43 1.955 -2.172 8.337
325 H ILE 44 H ILE 44 1.325 -2.460 5.067
326 HA ILE 44 HA ILE 44 -1.106 -2.345 3.747
327 HB ILE 44 HB ILE 44 0.665 -4.676 4.477
328 HG12 ILE 44 1HG1 ILE 44 1.643 -2.842 3.071
329 HG13 ILE 44 2HG1 ILE 44 1.631 -4.426 2.323
330 HG21 ILE 44 1HG2 ILE 44 -1.044 -5.007 2.131
331 HG22 ILE 44 2HG2 ILE 44 -0.709 -6.120 3.479
332 HG23 ILE 44 3HG2 ILE 44 -1.965 -4.870 3.648
333 HD11 ILE 44 1HD1 ILE 44 0.372 -3.666 0.603
334 HD12 ILE 44 2HD1 ILE 44 -0.867 -3.057 1.726
335 HD13 ILE 44 3HD1 ILE 44 0.517 -2.029 1.286
336 H LEU 45 H LEU 45 -2.994 -1.992 4.837
337 HA LEU 45 HA LEU 45 -3.479 -3.037 7.404
338 HB2 LEU 45 1HB LEU 45 -5.243 -1.807 5.292
339 HB3 LEU 45 2HB LEU 45 -5.856 -2.333 6.847
340 HG LEU 45 HG LEU 45 -3.619 -0.316 6.548
341 HD11 LEU 45 1HD1 LEU 45 -6.219 0.734 7.380
342 HD12 LEU 45 2HD1 LEU 45 -5.050 1.359 6.192
343 HD13 LEU 45 3HD1 LEU 45 -6.216 0.101 5.717
344 HD21 LEU 45 1HD2 LEU 45 -4.201 -1.733 8.737
345 HD22 LEU 45 2HD2 LEU 45 -3.663 -0.037 8.799
346 HD23 LEU 45 3HD2 LEU 45 -5.395 -0.427 8.933
347 H GLU 46 H GLU 46 -4.891 -3.914 4.167
348 HA GLU 46 HA GLU 46 -5.060 -6.629 5.190
349 HB2 GLU 46 1HB GLU 46 -7.299 -5.078 5.049
350 HB3 GLU 46 2HB GLU 46 -7.293 -5.719 3.418
351 HG2 GLU 46 1HG GLU 46 -7.290 -8.018 4.234
352 HG3 GLU 46 2HG GLU 46 -7.002 -7.495 5.882
353 H ALA 47 H ALA 47 -4.845 -8.287 3.566
354 HA ALA 47 HA ALA 47 -3.616 -7.265 1.123
355 HB1 ALA 47 1HB ALA 47 -3.348 -9.672 2.853
356 HB2 ALA 47 2HB ALA 47 -3.177 -9.949 1.102
357 HB3 ALA 47 3HB ALA 47 -2.114 -8.784 1.927
358 H CYS 48 H CYS 48 -4.820 -7.163 -0.700
359 HA CYS 48 HA CYS 48 -6.440 -9.325 -1.483
360 HB2 CYS 48 1HB CYS 48 -7.774 -7.138 -0.012
361 HB3 CYS 48 2HB CYS 48 -8.498 -7.507 -1.565
362 HG CYS 48 HG CYS 48 -8.204 -10.246 -1.009
363 H GLU 49 H GLU 49 -6.372 -9.272 -3.719
364 HA GLU 49 HA GLU 49 -4.903 -7.492 -5.080
365 HB2 GLU 49 1HB GLU 49 -7.023 -9.460 -5.789
366 HB3 GLU 49 2HB GLU 49 -6.713 -8.245 -7.013
367 HG2 GLU 49 1HG GLU 49 -4.134 -8.976 -6.206
368 HG3 GLU 49 2HG GLU 49 -5.007 -10.493 -6.124
369 H ASN 50 H ASN 50 -8.501 -7.399 -4.622
370 HA ASN 50 HA ASN 50 -9.966 -5.823 -4.898
371 HB2 ASN 50 1HB ASN 50 -7.554 -4.128 -4.106
372 HB3 ASN 50 2HB ASN 50 -9.125 -3.397 -4.367
373 HD21 ASN 50 1HD2 ASN 50 -10.930 -4.127 -3.110
374 HD22 ASN 50 2HD2 ASN 50 -10.706 -4.744 -1.507
375 H LYS 51 H LYS 51 -8.265 -6.667 -7.251
376 HA LYS 51 HA LYS 51 -8.034 -6.171 -9.389
377 HB2 LYS 51 1HB LYS 51 -9.852 -3.803 -8.857
378 HB3 LYS 51 2HB LYS 51 -9.474 -4.490 -10.423
379 HG2 LYS 51 1HG LYS 51 -10.508 -6.412 -8.369
380 HG3 LYS 51 2HG LYS 51 -11.655 -5.220 -8.946
381 HD2 LYS 51 1HD LYS 51 -11.098 -5.885 -11.320
382 HD3 LYS 51 2HD LYS 51 -10.034 -7.130 -10.696
383 HE2 LYS 51 1HE LYS 51 -11.789 -8.473 -9.968
384 HE3 LYS 51 2HE LYS 51 -12.831 -7.112 -9.606
385 HZ1 LYS 51 1HZ LYS 51 -13.371 -6.876 -11.835
386 HZ2 LYS 51 2HZ LYS 51 -12.122 -7.785 -12.364
387 HZ3 LYS 51 3HZ LYS 51 -13.387 -8.493 -11.612
388 H SER 52 H SER 52 -5.858 -5.639 -7.969
389 HA SER 52 HA SER 52 -3.968 -4.568 -8.093
390 HB2 SER 52 1HB SER 52 -5.104 -2.499 -9.999
391 HB3 SER 52 2HB SER 52 -3.453 -3.072 -9.880
392 HG SER 52 HG SER 52 -4.873 -5.261 -10.392
393 H TRP 53 H TRP 53 -5.447 -4.038 -5.904
394 HA TRP 53 HA TRP 53 -4.835 -1.243 -5.399
395 HB2 TRP 53 1HB TRP 53 -7.593 -2.428 -5.220
396 HB3 TRP 53 2HB TRP 53 -7.108 -1.101 -4.183
397 HD1 TRP 53 HD TRP 53 -8.167 -1.818 -7.760
398 HE1 TRP 53 1HE TRP 53 -8.386 0.388 -9.191
399 HE3 TRP 53 3HE TRP 53 -5.981 1.243 -4.338
400 HZ2 TRP 53 2HZ TRP 53 -7.637 3.105 -8.741
401 HZ3 TRP 53 3HZ TRP 53 -5.764 3.659 -4.913
402 HH2 TRP 53 HH TRP 53 -6.550 4.601 -7.027
403 H TYR 54 H TYR 54 -4.450 -0.870 -3.116
404 HA TYR 54 HA TYR 54 -4.580 -3.249 -1.423
405 HB2 TYR 54 1HB TYR 54 -2.210 -1.562 -2.344
406 HB3 TYR 54 2HB TYR 54 -2.158 -2.224 -0.723
407 HD1 TYR 54 1HD TYR 54 -2.152 -4.706 -0.385
408 HD2 TYR 54 2HD TYR 54 -1.851 -2.949 -4.274
409 HE1 TYR 54 1HE TYR 54 -1.283 -6.905 -1.319
410 HE2 TYR 54 2HE TYR 54 -0.982 -5.154 -5.195
411 HH TYR 54 HH TYR 54 0.335 -7.205 -4.008
412 H ARG 55 H ARG 55 -5.171 -2.795 0.669
413 HA ARG 55 HA ARG 55 -5.699 -0.021 1.194
414 HB2 ARG 55 1HB ARG 55 -7.342 -1.987 1.634
415 HB3 ARG 55 2HB ARG 55 -6.330 -2.396 3.005
416 HG2 ARG 55 1HG ARG 55 -6.654 0.258 3.507
417 HG3 ARG 55 2HG ARG 55 -8.133 -0.026 2.611
418 HD2 ARG 55 1HD ARG 55 -8.809 -1.807 4.162
419 HD3 ARG 55 2HD ARG 55 -7.261 -1.745 4.981
420 HE ARG 55 HE ARG 55 -8.516 0.861 5.005
421 HH11 ARG 55 2HH2 ARG 55 -8.658 -2.306 6.531
422 HH12 ARG 55 1HH2 ARG 55 -9.338 -1.706 8.007
423 HH21 ARG 55 2HH1 ARG 55 -9.413 1.654 6.952
424 HH22 ARG 55 1HH1 ARG 55 -9.771 0.561 8.248
425 H VAL 56 H VAL 56 -4.178 1.205 2.262
426 HA VAL 56 HA VAL 56 -2.565 -0.164 4.297
427 HB VAL 56 HB VAL 56 -0.621 0.988 3.598
428 HG11 VAL 56 1HG1 VAL 56 -1.431 -1.047 2.260
429 HG12 VAL 56 2HG1 VAL 56 -1.859 0.114 0.981
430 HG13 VAL 56 3HG1 VAL 56 -0.169 -0.033 1.521
431 HG21 VAL 56 1HG2 VAL 56 -2.307 2.439 1.529
432 HG22 VAL 56 2HG2 VAL 56 -1.685 3.147 3.039
433 HG23 VAL 56 3HG2 VAL 56 -0.552 2.611 1.775
434 H LYS 57 H LYS 57 -1.387 1.733 5.654
435 HA LYS 57 HA LYS 57 -3.437 3.776 6.151
436 HB2 LYS 57 1HB LYS 57 -3.598 1.996 7.835
437 HB3 LYS 57 2HB LYS 57 -1.899 2.181 8.222
438 HG2 LYS 57 1HG LYS 57 -2.813 4.797 8.443
439 HG3 LYS 57 2HG LYS 57 -4.208 3.888 8.989
440 HD2 LYS 57 1HD LYS 57 -2.727 2.630 10.596
441 HD3 LYS 57 2HD LYS 57 -1.368 3.608 10.080
442 HE2 LYS 57 1HE LYS 57 -1.959 5.104 11.686
443 HE3 LYS 57 2HE LYS 57 -3.340 5.517 10.689
444 HZ1 LYS 57 1HZ LYS 57 -3.302 3.389 12.716
445 HZ2 LYS 57 2HZ LYS 57 -3.997 4.856 12.894
446 HZ3 LYS 57 3HZ LYS 57 -4.590 3.799 11.800
447 H HIS 58 H HIS 58 -2.674 5.811 5.957
448 HA HIS 58 HA HIS 58 0.089 6.194 5.455
449 HB2 HIS 58 1HB HIS 58 -1.964 7.442 4.494
450 HB3 HIS 58 2HB HIS 58 -1.923 8.379 5.974
451 HD2 HIS 58 2HD HIS 58 -0.313 8.393 2.524
452 HE1 HIS 58 1HE HIS 58 2.122 10.904 4.947
453 HE2 HIS 58 2HE HIS 58 1.599 10.077 2.552
454 H HIS 59 H HIS 59 1.709 6.608 6.879
455 HA HIS 59 HA HIS 59 1.241 6.503 9.613
456 HB2 HIS 59 1HB HIS 59 3.460 6.560 7.843
457 HB3 HIS 59 2HB HIS 59 3.726 7.832 9.019
458 HD1 HIS 59 1HD HIS 59 4.658 4.503 8.568
459 HD2 HIS 59 2HD HIS 59 2.956 6.545 11.812
460 HE1 HIS 59 1HE HIS 59 5.176 3.109 10.641
461 H THR 60 H THR 60 2.817 9.340 8.009
462 HA THR 60 HA THR 60 2.333 11.182 9.921
463 HB THR 60 HB THR 60 2.390 11.372 6.873
464 HG1 THR 60 1HG THR 60 4.315 10.707 8.084
465 HG21 THR 60 1HG2 THR 60 3.249 13.787 8.224
466 HG22 THR 60 2HG2 THR 60 1.981 13.615 6.986
467 HG23 THR 60 3HG2 THR 60 1.573 13.437 8.709
468 H SER 61 H SER 61 0.128 10.770 7.063
469 HA SER 61 HA SER 61 -1.804 12.436 7.972
470 HB2 SER 61 1HB SER 61 -1.539 10.369 5.952
471 HB3 SER 61 2HB SER 61 -3.132 10.262 6.674
472 HG SER 61 HG SER 61 -2.143 12.138 4.920
473 H GLY 62 H GLY 62 -1.805 8.802 8.279
474 HA2 GLY 62 1HA GLY 62 -2.298 7.637 10.230
475 HA3 GLY 62 2HA GLY 62 -3.048 9.065 10.916
476 H GLN 63 H GLN 63 -3.908 8.550 7.595
477 HA GLN 63 HA GLN 63 -6.507 7.637 8.501
478 HB2 GLN 63 1HB GLN 63 -5.806 8.671 5.728
479 HB3 GLN 63 2HB GLN 63 -7.395 8.559 6.459
480 HG2 GLN 63 1HG GLN 63 -6.923 10.341 8.016
481 HG3 GLN 63 2HG GLN 63 -5.203 10.282 7.683
482 HE21 GLN 63 1HE2 GLN 63 -4.464 11.826 6.462
483 HE22 GLN 63 2HE2 GLN 63 -5.307 12.684 5.216
484 H GLU 64 H GLU 64 -7.647 6.323 6.471
485 HA GLU 64 HA GLU 64 -5.711 4.357 5.569
486 HB2 GLU 64 1HB GLU 64 -8.347 3.712 6.962
487 HB3 GLU 64 2HB GLU 64 -7.339 2.526 6.158
488 HG2 GLU 64 1HG GLU 64 -5.673 2.613 7.791
489 HG3 GLU 64 2HG GLU 64 -6.000 4.286 8.196
490 H GLY 65 H GLY 65 -5.853 4.257 3.374
491 HA2 GLY 65 1HA GLY 65 -8.522 4.300 2.152
492 HA3 GLY 65 2HA GLY 65 -7.347 5.496 1.642
493 H LEU 66 H LEU 66 -8.268 3.813 -0.301
494 HA LEU 66 HA LEU 66 -6.663 1.463 -0.504
495 HB2 LEU 66 1HB LEU 66 -8.663 2.883 -2.210
496 HB3 LEU 66 2HB LEU 66 -7.610 1.695 -2.951
497 HG LEU 66 HG LEU 66 -9.512 1.204 -0.642
498 HD11 LEU 66 1HD1 LEU 66 -9.877 -0.327 -3.113
499 HD12 LEU 66 2HD1 LEU 66 -11.062 0.541 -2.107
500 HD13 LEU 66 3HD1 LEU 66 -10.106 1.426 -3.321
501 HD21 LEU 66 1HD2 LEU 66 -7.510 -0.607 -1.997
502 HD22 LEU 66 2HD2 LEU 66 -7.689 -0.241 -0.265
503 HD23 LEU 66 3HD2 LEU 66 -8.915 -1.228 -1.097
504 H LEU 67 H LEU 67 -5.071 1.076 -2.255
505 HA LEU 67 HA LEU 67 -3.813 3.516 -3.236
506 HB2 LEU 67 1HB LEU 67 -2.856 2.117 -1.005
507 HB3 LEU 67 2HB LEU 67 -1.824 1.620 -2.332
508 HG LEU 67 HG LEU 67 -2.381 4.531 -1.741
509 HD11 LEU 67 1HD1 LEU 67 0.136 4.134 -0.775
510 HD12 LEU 67 2HD1 LEU 67 -1.337 4.211 0.220
511 HD13 LEU 67 3HD1 LEU 67 -0.674 2.633 -0.267
512 HD21 LEU 67 1HD2 LEU 67 -0.168 4.800 -2.908
513 HD22 LEU 67 2HD2 LEU 67 -0.264 3.075 -3.339
514 HD23 LEU 67 3HD2 LEU 67 -1.502 4.210 -3.928
515 H ALA 68 H ALA 68 -2.683 3.234 -5.208
516 HA ALA 68 HA ALA 68 -3.660 1.101 -6.784
517 HB1 ALA 68 1HB ALA 68 -2.051 3.558 -7.097
518 HB2 ALA 68 2HB ALA 68 -1.598 2.249 -8.215
519 HB3 ALA 68 3HB ALA 68 -3.274 2.846 -8.177
520 H ALA 69 H ALA 69 -2.893 -0.942 -6.966
521 HA ALA 69 HA ALA 69 -0.716 -1.830 -5.481
522 HB1 ALA 69 1HB ALA 69 -2.211 -2.995 -7.860
523 HB2 ALA 69 2HB ALA 69 -0.996 -3.897 -6.922
524 HB3 ALA 69 3HB ALA 69 -2.487 -3.327 -6.133
525 H GLY 70 H GLY 70 -0.978 -0.420 -8.726
526 HA2 GLY 70 1HA GLY 70 1.780 -1.170 -9.363
527 HA3 GLY 70 2HA GLY 70 0.601 -0.444 -10.436
528 H ALA 71 H ALA 71 1.318 0.658 -7.086
529 HA ALA 71 HA ALA 71 2.921 2.848 -8.079
530 HB1 ALA 71 1HB ALA 71 1.053 4.128 -8.367
531 HB2 ALA 71 2HB ALA 71 0.057 3.098 -7.311
532 HB3 ALA 71 3HB ALA 71 1.158 4.302 -6.599
533 H LEU 72 H LEU 72 3.117 0.399 -6.317
534 HA LEU 72 HA LEU 72 3.999 1.839 -3.922
535 HB2 LEU 72 1HB LEU 72 2.554 -0.814 -3.964
536 HB3 LEU 72 2HB LEU 72 3.275 -0.066 -2.553
537 HG LEU 72 HG LEU 72 1.159 1.389 -4.126
538 HD11 LEU 72 1HD1 LEU 72 -0.581 0.216 -3.293
539 HD12 LEU 72 2HD1 LEU 72 0.613 -1.104 -3.258
540 HD13 LEU 72 3HD1 LEU 72 0.262 -0.181 -1.777
541 HD21 LEU 72 1HD2 LEU 72 1.896 2.892 -2.601
542 HD22 LEU 72 2HD2 LEU 72 0.734 2.036 -1.559
543 HD23 LEU 72 3HD2 LEU 72 2.468 1.642 -1.471
544 H ARG 73 H ARG 73 5.920 1.015 -2.951
545 HA ARG 73 HA ARG 73 7.184 -1.111 -4.461
546 HB2 ARG 73 1HB ARG 73 9.343 0.175 -4.453
547 HB3 ARG 73 2HB ARG 73 8.099 0.974 -5.394
548 HG2 ARG 73 1HG ARG 73 8.437 2.831 -4.138
549 HG3 ARG 73 2HG ARG 73 7.730 1.978 -2.781
550 HD2 ARG 73 1HD ARG 73 9.805 1.449 -1.840
551 HD3 ARG 73 2HD ARG 73 10.623 1.409 -3.390
552 HE ARG 73 HE ARG 73 10.303 3.725 -1.672
553 HH11 ARG 73 2HH2 ARG 73 10.560 2.752 -5.044
554 HH12 ARG 73 1HH2 ARG 73 11.185 4.280 -5.570
555 HH21 ARG 73 2HH1 ARG 73 11.127 5.740 -2.365
556 HH22 ARG 73 1HH1 ARG 73 11.510 5.991 -4.036
557 H GLU 74 H GLU 74 9.375 -1.747 -3.214
558 HA GLU 74 HA GLU 74 8.561 -2.054 -0.468
559 HB2 GLU 74 1HB GLU 74 9.508 -3.891 -2.147
560 HB3 GLU 74 2HB GLU 74 11.066 -3.281 -1.626
561 HG2 GLU 74 1HG GLU 74 9.909 -3.534 0.813
562 HG3 GLU 74 2HG GLU 74 8.969 -4.742 -0.041
563 H ARG 75 H ARG 75 9.138 -0.404 0.892
564 HA ARG 75 HA ARG 75 10.845 1.548 0.501
565 HB2 ARG 75 1HB ARG 75 9.404 1.218 2.543
566 HB3 ARG 75 2HB ARG 75 10.559 0.052 3.158
567 HG2 ARG 75 1HG ARG 75 12.337 1.819 3.157
568 HG3 ARG 75 2HG ARG 75 11.176 2.984 2.551
569 HD2 ARG 75 1HD ARG 75 9.774 2.662 4.597
570 HD3 ARG 75 2HD ARG 75 10.916 1.478 5.201
571 HE ARG 75 HE ARG 75 11.263 4.387 5.181
572 HH11 ARG 75 2HH2 ARG 75 12.926 1.289 5.314
573 HH12 ARG 75 1HH2 ARG 75 14.342 1.937 6.073
574 HH21 ARG 75 2HH1 ARG 75 13.130 5.243 6.182
575 HH22 ARG 75 1HH1 ARG 75 14.459 4.201 6.570
576 H SER 76 H SER 76 13.108 2.030 0.956
577 HA SER 76 HA SER 76 15.241 1.639 0.961
578 HB2 SER 76 1HB SER 76 14.390 -0.774 2.607
579 HB3 SER 76 2HB SER 76 16.077 -0.416 2.295
580 HG SER 76 HG SER 76 14.689 0.543 4.283
581 H GLY 77 H GLY 77 14.909 1.330 -1.440
582 HA2 GLY 77 1HA GLY 77 15.098 -1.456 -2.339
583 HA3 GLY 77 2HA GLY 77 14.742 -0.047 -3.318
584 HA PRO 78 HA PRO 78 19.143 -0.962 -3.924
585 HB2 PRO 78 1HB PRO 78 19.112 -1.118 -6.652
586 HB3 PRO 78 2HB PRO 78 18.965 -2.520 -5.610
587 HG2 PRO 78 1HG PRO 78 16.867 -1.144 -7.174
588 HG3 PRO 78 2HG PRO 78 16.844 -2.755 -6.484
589 HD2 PRO 78 1HD PRO 78 15.513 -0.430 -5.459
590 HD3 PRO 78 2HD PRO 78 15.586 -2.012 -4.709
591 H SER 79 H SER 79 19.920 0.952 -3.156
592 HA SER 79 HA SER 79 19.996 2.968 -5.247
593 HB2 SER 79 1HB SER 79 18.436 3.188 -2.901
594 HB3 SER 79 2HB SER 79 19.857 4.160 -2.573
595 HG SER 79 HG SER 79 18.520 4.429 -5.099
596 H SER 80 H SER 80 21.751 4.693 -4.700
597 HA SER 80 HA SER 80 23.801 3.567 -2.991
598 HB2 SER 80 1HB SER 80 24.042 3.001 -5.570
599 HB3 SER 80 2HB SER 80 24.585 4.662 -5.701
600 HG SER 80 HG SER 80 25.749 3.090 -3.634
601 H GLY 81 H GLY 81 24.262 5.176 -1.538
602 HA2 GLY 81 1HA GLY 81 24.362 7.947 -2.564
603 HA3 GLY 81 2HA GLY 81 23.561 7.538 -1.060
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -4.510 -22.968 10.083
2 HA2 GLY 1 1HA GLY 1 -2.414 -22.119 10.051
3 HA3 GLY 1 2HA GLY 1 -2.970 -21.232 11.457
4 H SER 2 H SER 2 -1.257 -21.257 12.877
5 HA SER 2 HA SER 2 0.210 -22.009 14.287
6 HB2 SER 2 1HB SER 2 -1.803 -23.550 14.881
7 HB3 SER 2 2HB SER 2 -0.927 -24.816 14.044
8 HG SER 2 HG SER 2 0.531 -24.941 15.644
9 H SER 3 H SER 3 2.237 -23.383 14.495
10 HA SER 3 HA SER 3 4.031 -24.282 13.671
11 HB2 SER 3 1HB SER 3 1.884 -25.779 12.357
12 HB3 SER 3 2HB SER 3 3.310 -25.714 11.341
13 HG SER 3 HG SER 3 4.357 -27.028 12.679
14 H GLY 4 H GLY 4 4.685 -22.057 13.073
15 HA2 GLY 4 1HA GLY 4 5.386 -20.457 11.652
16 HA3 GLY 4 2HA GLY 4 5.790 -21.788 10.586
17 H SER 5 H SER 5 5.204 -19.721 9.123
18 HA SER 5 HA SER 5 2.740 -20.417 7.929
19 HB2 SER 5 1HB SER 5 1.821 -18.024 8.046
20 HB3 SER 5 2HB SER 5 1.693 -18.976 9.512
21 HG SER 5 HG SER 5 2.616 -16.635 9.549
22 H SER 6 H SER 6 5.053 -17.617 8.255
23 HA SER 6 HA SER 6 6.057 -18.139 5.656
24 HB2 SER 6 1HB SER 6 3.808 -16.437 5.800
25 HB3 SER 6 2HB SER 6 5.170 -15.344 5.662
26 HG SER 6 HG SER 6 4.414 -17.474 3.864
27 H GLY 7 H GLY 7 8.223 -17.654 5.780
28 HA2 GLY 7 1HA GLY 7 9.277 -16.338 8.073
29 HA3 GLY 7 2HA GLY 7 10.157 -16.906 6.668
30 H ARG 8 H ARG 8 11.149 -15.349 5.468
31 HA ARG 8 HA ARG 8 9.734 -12.942 4.923
32 HB2 ARG 8 1HB ARG 8 11.055 -12.678 7.195
33 HB3 ARG 8 2HB ARG 8 12.485 -12.617 6.183
34 HG2 ARG 8 1HG ARG 8 12.037 -10.491 5.492
35 HG3 ARG 8 2HG ARG 8 10.363 -10.870 5.137
36 HD2 ARG 8 1HD ARG 8 10.758 -10.882 8.024
37 HD3 ARG 8 2HD ARG 8 11.381 -9.384 7.360
38 HE ARG 8 HE ARG 8 8.977 -9.569 6.075
39 HH11 ARG 8 2HH2 ARG 8 9.842 -9.943 9.466
40 HH12 ARG 8 1HH2 ARG 8 8.306 -9.396 10.050
41 HH21 ARG 8 2HH1 ARG 8 6.951 -8.847 6.845
42 HH22 ARG 8 1HH1 ARG 8 6.650 -8.769 8.549
43 H MET 9 H MET 9 9.944 -13.334 2.695
44 HA MET 9 HA MET 9 12.632 -13.077 1.684
45 HB2 MET 9 1HB MET 9 11.381 -15.605 1.870
46 HB3 MET 9 2HB MET 9 11.073 -15.130 0.211
47 HG2 MET 9 1HG MET 9 13.217 -15.608 -0.365
48 HG3 MET 9 2HG MET 9 13.823 -14.477 0.828
49 HE1 MET 9 1HE MET 9 16.087 -16.599 1.973
50 HE2 MET 9 2HE MET 9 15.608 -17.833 0.784
51 HE3 MET 9 3HE MET 9 15.587 -16.110 0.336
52 HA PRO 10 HA PRO 10 10.512 -10.759 -1.310
53 HB2 PRO 10 1HB PRO 10 12.326 -10.694 -3.353
54 HB3 PRO 10 2HB PRO 10 12.436 -9.663 -1.941
55 HG2 PRO 10 1HG PRO 10 14.031 -12.059 -2.615
56 HG3 PRO 10 2HG PRO 10 14.389 -10.791 -1.459
57 HD2 PRO 10 1HD PRO 10 13.427 -13.428 -0.871
58 HD3 PRO 10 2HD PRO 10 13.675 -12.123 0.273
59 H THR 11 H THR 11 8.900 -12.578 -1.326
60 HA THR 11 HA THR 11 8.565 -13.283 -4.104
61 HB THR 11 HB THR 11 9.110 -15.348 -1.914
62 HG1 THR 11 1HG THR 11 11.005 -15.137 -3.043
63 HG21 THR 11 1HG2 THR 11 7.612 -16.694 -3.025
64 HG22 THR 11 2HG2 THR 11 7.446 -15.533 -4.364
65 HG23 THR 11 3HG2 THR 11 8.802 -16.686 -4.349
66 H ARG 12 H ARG 12 6.434 -13.533 -4.675
67 HA ARG 12 HA ARG 12 4.271 -13.669 -4.450
68 HB2 ARG 12 1HB ARG 12 5.068 -14.939 -2.078
69 HB3 ARG 12 2HB ARG 12 3.996 -13.679 -1.498
70 HG2 ARG 12 1HG ARG 12 2.150 -14.485 -2.804
71 HG3 ARG 12 2HG ARG 12 3.186 -15.464 -3.824
72 HD2 ARG 12 1HD ARG 12 3.184 -16.052 -0.864
73 HD3 ARG 12 2HD ARG 12 1.776 -16.535 -1.789
74 HE ARG 12 HE ARG 12 4.375 -17.790 -1.862
75 HH11 ARG 12 2HH2 ARG 12 1.635 -16.984 -3.918
76 HH12 ARG 12 1HH2 ARG 12 1.929 -18.275 -5.034
77 HH21 ARG 12 2HH1 ARG 12 4.763 -19.494 -3.334
78 HH22 ARG 12 1HH1 ARG 12 3.720 -19.713 -4.700
79 H ARG 13 H ARG 13 2.353 -12.301 -3.504
80 HA ARG 13 HA ARG 13 3.034 -9.658 -3.691
81 HB2 ARG 13 1HB ARG 13 0.572 -10.958 -2.422
82 HB3 ARG 13 2HB ARG 13 0.680 -9.251 -2.801
83 HG2 ARG 13 1HG ARG 13 0.829 -11.570 -4.781
84 HG3 ARG 13 2HG ARG 13 -0.471 -10.404 -4.632
85 HD2 ARG 13 1HD ARG 13 1.760 -8.760 -4.986
86 HD3 ARG 13 2HD ARG 13 2.148 -10.136 -5.998
87 HE ARG 13 HE ARG 13 -0.589 -9.370 -6.445
88 HH11 ARG 13 2HH2 ARG 13 2.696 -8.302 -7.113
89 HH12 ARG 13 1HH2 ARG 13 2.261 -7.445 -8.554
90 HH21 ARG 13 2HH1 ARG 13 -1.164 -8.241 -8.347
91 HH22 ARG 13 1HH1 ARG 13 0.051 -7.411 -9.261
92 H TRP 14 H TRP 14 2.315 -7.962 -1.867
93 HA TRP 14 HA TRP 14 4.003 -8.496 0.379
94 HB2 TRP 14 1HB TRP 14 2.263 -6.141 -0.366
95 HB3 TRP 14 2HB TRP 14 3.278 -6.198 1.062
96 HD1 TRP 14 HD TRP 14 6.010 -7.242 -0.020
97 HE1 TRP 14 1HE TRP 14 7.510 -5.948 -1.763
98 HE3 TRP 14 3HE TRP 14 2.250 -4.413 -1.948
99 HZ2 TRP 14 2HZ TRP 14 6.968 -3.932 -3.709
100 HZ3 TRP 14 3HZ TRP 14 2.820 -2.807 -3.767
101 HH2 TRP 14 HH TRP 14 5.085 -2.542 -4.648
102 H ALA 15 H ALA 15 3.274 -8.480 2.635
103 HA ALA 15 HA ALA 15 0.543 -9.526 2.862
104 HB1 ALA 15 1HB ALA 15 2.340 -9.833 5.169
105 HB2 ALA 15 2HB ALA 15 1.385 -11.055 4.297
106 HB3 ALA 15 3HB ALA 15 2.984 -10.570 3.683
107 HA PRO 16 HA PRO 16 -0.570 -6.235 5.445
108 HB2 PRO 16 1HB PRO 16 -2.020 -7.365 7.467
109 HB3 PRO 16 2HB PRO 16 -2.668 -7.090 5.862
110 HG2 PRO 16 1HG PRO 16 -1.800 -9.630 7.100
111 HG3 PRO 16 2HG PRO 16 -2.823 -9.385 5.698
112 HD2 PRO 16 1HD PRO 16 -0.065 -10.172 5.694
113 HD3 PRO 16 2HD PRO 16 -1.055 -9.814 4.293
114 H GLY 17 H GLY 17 0.889 -4.958 6.381
115 HA2 GLY 17 1HA GLY 17 1.578 -4.457 8.715
116 HA3 GLY 17 2HA GLY 17 2.161 -6.108 8.794
117 H THR 18 H THR 18 2.700 -5.377 5.627
118 HA THR 18 HA THR 18 5.485 -4.756 6.154
119 HB THR 18 HB THR 18 3.868 -5.562 3.684
120 HG1 THR 18 1HG THR 18 4.499 -7.015 5.613
121 HG21 THR 18 1HG2 THR 18 6.817 -5.875 3.654
122 HG22 THR 18 2HG2 THR 18 5.731 -5.310 2.361
123 HG23 THR 18 3HG2 THR 18 6.296 -4.173 3.609
124 H GLN 19 H GLN 19 6.628 -2.967 5.375
125 HA GLN 19 HA GLN 19 4.911 -0.677 5.048
126 HB2 GLN 19 1HB GLN 19 7.879 -1.028 5.597
127 HB3 GLN 19 2HB GLN 19 7.204 0.541 5.203
128 HG2 GLN 19 1HG GLN 19 5.644 0.390 7.123
129 HG3 GLN 19 2HG GLN 19 6.211 -1.227 7.489
130 HE21 GLN 19 1HE2 GLN 19 6.257 0.805 9.339
131 HE22 GLN 19 2HE2 GLN 19 7.888 1.239 9.729
132 H CYS 20 H CYS 20 4.402 0.116 3.055
133 HA CYS 20 HA CYS 20 6.228 -0.586 0.874
134 HB2 CYS 20 1HB CYS 20 3.232 -0.099 0.796
135 HB3 CYS 20 2HB CYS 20 4.239 -0.317 -0.622
136 HG CYS 20 HG CYS 20 3.475 -2.357 1.841
137 H ILE 21 H ILE 21 6.751 1.121 -0.646
138 HA ILE 21 HA ILE 21 6.129 3.795 0.399
139 HB ILE 21 HB ILE 21 8.541 3.034 -1.235
140 HG12 ILE 21 1HG1 ILE 21 8.792 1.687 0.684
141 HG13 ILE 21 2HG1 ILE 21 9.774 3.109 0.972
142 HG21 ILE 21 1HG2 ILE 21 7.834 5.422 -1.174
143 HG22 ILE 21 2HG2 ILE 21 8.051 5.399 0.592
144 HG23 ILE 21 3HG2 ILE 21 9.446 5.126 -0.479
145 HD11 ILE 21 1HD1 ILE 21 7.359 2.169 2.399
146 HD12 ILE 21 2HD1 ILE 21 8.667 3.238 2.961
147 HD13 ILE 21 3HD1 ILE 21 7.323 3.905 2.004
148 H THR 22 H THR 22 5.875 5.518 -1.233
149 HA THR 22 HA THR 22 4.463 4.455 -3.548
150 HB THR 22 HB THR 22 3.765 6.930 -3.683
151 HG1 THR 22 1HG THR 22 4.905 8.221 -2.290
152 HG21 THR 22 1HG2 THR 22 2.661 6.877 -1.270
153 HG22 THR 22 2HG2 THR 22 2.138 5.686 -2.485
154 HG23 THR 22 3HG2 THR 22 3.298 5.215 -1.219
155 H LYS 23 H LYS 23 4.847 5.155 -5.711
156 HA LYS 23 HA LYS 23 7.676 5.755 -6.111
157 HB2 LYS 23 1HB LYS 23 5.595 4.682 -8.039
158 HB3 LYS 23 2HB LYS 23 7.294 4.917 -8.395
159 HG2 LYS 23 1HG LYS 23 7.942 3.054 -7.213
160 HG3 LYS 23 2HG LYS 23 6.791 3.340 -5.924
161 HD2 LYS 23 1HD LYS 23 6.039 1.336 -6.993
162 HD3 LYS 23 2HD LYS 23 4.947 2.587 -7.553
163 HE2 LYS 23 1HE LYS 23 5.458 1.776 -9.637
164 HE3 LYS 23 2HE LYS 23 6.892 2.771 -9.479
165 HZ1 LYS 23 1HZ LYS 23 7.192 0.342 -10.030
166 HZ2 LYS 23 2HZ LYS 23 8.147 0.952 -8.855
167 HZ3 LYS 23 3HZ LYS 23 6.857 0.030 -8.463
168 H CYS 24 H CYS 24 4.646 7.293 -5.940
169 HA CYS 24 HA CYS 24 5.793 9.636 -7.160
170 HB2 CYS 24 1HB CYS 24 3.532 9.971 -8.432
171 HB3 CYS 24 2HB CYS 24 4.810 9.014 -9.154
172 HG CYS 24 HG CYS 24 2.689 7.612 -7.081
173 H GLU 25 H GLU 25 4.115 11.543 -6.785
174 HA GLU 25 HA GLU 25 3.046 11.098 -4.124
175 HB2 GLU 25 1HB GLU 25 3.133 13.552 -3.885
176 HB3 GLU 25 2HB GLU 25 4.695 12.922 -4.368
177 HG2 GLU 25 1HG GLU 25 3.133 13.490 -6.751
178 HG3 GLU 25 2HG GLU 25 3.107 14.897 -5.707
179 H HIS 26 H HIS 26 0.869 11.598 -3.587
180 HA HIS 26 HA HIS 26 -0.811 12.305 -5.877
181 HB2 HIS 26 1HB HIS 26 -0.709 9.782 -4.898
182 HB3 HIS 26 2HB HIS 26 -1.941 10.454 -3.848
183 HD1 HIS 26 1HD HIS 26 -1.542 11.415 -7.511
184 HD2 HIS 26 2HD HIS 26 -4.126 9.225 -5.037
185 HE1 HIS 26 1HE HIS 26 -3.565 10.814 -8.945
186 H THR 27 H THR 27 -1.472 14.354 -5.413
187 HA THR 27 HA THR 27 -1.994 15.042 -2.628
188 HB THR 27 HB THR 27 -2.154 17.366 -3.671
189 HG1 THR 27 1HG THR 27 -2.700 16.941 -5.819
190 HG21 THR 27 1HG2 THR 27 0.205 15.668 -3.516
191 HG22 THR 27 2HG2 THR 27 0.330 16.717 -4.949
192 HG23 THR 27 3HG2 THR 27 0.104 17.436 -3.336
193 H ARG 28 H ARG 28 -3.678 14.720 -5.787
194 HA ARG 28 HA ARG 28 -6.141 14.963 -4.251
195 HB2 ARG 28 1HB ARG 28 -5.398 15.941 -7.022
196 HB3 ARG 28 2HB ARG 28 -7.071 15.534 -6.695
197 HG2 ARG 28 1HG ARG 28 -6.053 17.124 -4.491
198 HG3 ARG 28 2HG ARG 28 -5.674 17.940 -5.995
199 HD2 ARG 28 1HD ARG 28 -8.461 16.828 -5.484
200 HD3 ARG 28 2HD ARG 28 -7.999 18.409 -4.885
201 HE ARG 28 HE ARG 28 -7.349 18.078 -7.708
202 HH11 ARG 28 2HH2 ARG 28 -9.939 18.869 -5.461
203 HH12 ARG 28 1HH2 ARG 28 -10.843 19.779 -6.624
204 HH21 ARG 28 2HH1 ARG 28 -8.542 19.278 -9.244
205 HH22 ARG 28 1HH1 ARG 28 -10.043 20.013 -8.791
206 HA PRO 29 HA PRO 29 -6.144 10.783 -5.887
207 HB2 PRO 29 1HB PRO 29 -7.440 9.617 -3.782
208 HB3 PRO 29 2HB PRO 29 -5.695 9.749 -3.879
209 HG2 PRO 29 1HG PRO 29 -7.583 11.309 -2.222
210 HG3 PRO 29 2HG PRO 29 -5.851 11.123 -2.033
211 HD2 PRO 29 1HD PRO 29 -7.225 13.404 -3.099
212 HD3 PRO 29 2HD PRO 29 -5.491 13.170 -3.016
213 H LYS 30 H LYS 30 -7.948 9.090 -6.235
214 HA LYS 30 HA LYS 30 -9.962 10.467 -7.615
215 HB2 LYS 30 1HB LYS 30 -9.059 7.747 -7.251
216 HB3 LYS 30 2HB LYS 30 -10.807 7.809 -7.143
217 HG2 LYS 30 1HG LYS 30 -10.839 9.161 -9.291
218 HG3 LYS 30 2HG LYS 30 -9.105 8.943 -9.413
219 HD2 LYS 30 1HD LYS 30 -9.301 6.574 -9.717
220 HD3 LYS 30 2HD LYS 30 -10.948 6.543 -9.118
221 HE2 LYS 30 1HE LYS 30 -10.801 8.358 -11.386
222 HE3 LYS 30 2HE LYS 30 -10.075 6.826 -11.833
223 HZ1 LYS 30 1HZ LYS 30 -12.416 6.372 -10.370
224 HZ2 LYS 30 2HZ LYS 30 -12.747 7.389 -11.604
225 HZ3 LYS 30 3HZ LYS 30 -12.070 5.934 -11.905
226 HA PRO 31 HA PRO 31 -13.116 10.867 -4.685
227 HB2 PRO 31 1HB PRO 31 -15.402 9.981 -5.892
228 HB3 PRO 31 2HB PRO 31 -14.685 11.544 -6.228
229 HG2 PRO 31 1HG PRO 31 -14.661 9.099 -7.889
230 HG3 PRO 31 2HG PRO 31 -14.337 10.753 -8.367
231 HD2 PRO 31 1HD PRO 31 -12.401 8.682 -7.930
232 HD3 PRO 31 2HD PRO 31 -12.072 10.365 -8.294
233 H GLY 32 H GLY 32 -12.419 9.651 -2.945
234 HA2 GLY 32 1HA GLY 32 -13.558 8.137 -1.423
235 HA3 GLY 32 2HA GLY 32 -13.836 7.059 -2.776
236 H GLU 33 H GLU 33 -10.773 8.709 -2.894
237 HA GLU 33 HA GLU 33 -9.516 6.275 -1.892
238 HB2 GLU 33 1HB GLU 33 -8.840 8.107 -4.198
239 HB3 GLU 33 2HB GLU 33 -7.555 7.203 -3.422
240 HG2 GLU 33 1HG GLU 33 -8.723 5.074 -3.856
241 HG3 GLU 33 2HG GLU 33 -10.112 5.927 -4.501
242 H LEU 34 H LEU 34 -7.052 6.807 -1.254
243 HA LEU 34 HA LEU 34 -7.249 9.065 0.592
244 HB2 LEU 34 1HB LEU 34 -6.771 7.284 1.899
245 HB3 LEU 34 2HB LEU 34 -5.943 6.410 0.626
246 HG LEU 34 HG LEU 34 -4.072 8.202 0.924
247 HD11 LEU 34 1HD1 LEU 34 -4.012 9.517 2.769
248 HD12 LEU 34 2HD1 LEU 34 -5.780 9.408 2.594
249 HD13 LEU 34 3HD1 LEU 34 -4.935 8.366 3.764
250 HD21 LEU 34 1HD2 LEU 34 -4.581 5.652 2.077
251 HD22 LEU 34 2HD2 LEU 34 -3.017 6.420 1.712
252 HD23 LEU 34 3HD2 LEU 34 -3.775 6.657 3.305
253 H ALA 35 H ALA 35 -5.230 10.370 0.945
254 HA ALA 35 HA ALA 35 -3.863 10.714 -1.635
255 HB1 ALA 35 1HB ALA 35 -5.447 12.516 -0.399
256 HB2 ALA 35 2HB ALA 35 -3.907 12.890 0.413
257 HB3 ALA 35 3HB ALA 35 -4.024 12.985 -1.361
258 H PHE 36 H PHE 36 -1.577 11.091 -1.618
259 HA PHE 36 HA PHE 36 -0.196 10.966 0.896
260 HB2 PHE 36 1HB PHE 36 1.089 8.888 0.018
261 HB3 PHE 36 2HB PHE 36 -0.555 8.578 0.540
262 HD1 PHE 36 1HD PHE 36 1.669 8.851 -2.358
263 HD2 PHE 36 2HD PHE 36 -2.280 8.002 -1.057
264 HE1 PHE 36 1HE PHE 36 1.142 7.861 -4.603
265 HE2 PHE 36 2HE PHE 36 -2.807 7.012 -3.303
266 HZ PHE 36 HZ PHE 36 -1.090 6.954 -5.049
267 H ARG 37 H ARG 37 2.276 10.982 0.485
268 HA ARG 37 HA ARG 37 2.690 12.555 -1.926
269 HB2 ARG 37 1HB ARG 37 4.038 12.604 0.809
270 HB3 ARG 37 2HB ARG 37 4.778 13.373 -0.580
271 HG2 ARG 37 1HG ARG 37 1.934 13.978 0.352
272 HG3 ARG 37 2HG ARG 37 3.331 14.905 0.861
273 HD2 ARG 37 1HD ARG 37 3.451 14.672 -2.012
274 HD3 ARG 37 2HD ARG 37 1.818 15.147 -1.590
275 HE ARG 37 HE ARG 37 3.603 16.736 -0.037
276 HH11 ARG 37 2HH2 ARG 37 2.671 16.296 -3.402
277 HH12 ARG 37 1HH2 ARG 37 3.044 17.926 -3.852
278 HH21 ARG 37 2HH1 ARG 37 4.095 18.887 -0.630
279 HH22 ARG 37 1HH1 ARG 37 3.859 19.410 -2.265
280 H LYS 38 H LYS 38 5.300 12.498 -2.449
281 HA LYS 38 HA LYS 38 5.789 9.787 -3.166
282 HB2 LYS 38 1HB LYS 38 6.319 11.779 -4.585
283 HB3 LYS 38 2HB LYS 38 7.587 12.211 -3.456
284 HG2 LYS 38 1HG LYS 38 8.354 9.673 -3.843
285 HG3 LYS 38 2HG LYS 38 7.438 9.843 -5.327
286 HD2 LYS 38 1HD LYS 38 8.839 12.159 -5.466
287 HD3 LYS 38 2HD LYS 38 9.961 11.245 -4.477
288 HE2 LYS 38 1HE LYS 38 9.512 9.345 -6.327
289 HE3 LYS 38 2HE LYS 38 9.068 10.723 -7.314
290 HZ1 LYS 38 1HZ LYS 38 11.169 11.425 -7.378
291 HZ2 LYS 38 2HZ LYS 38 11.501 11.035 -5.827
292 HZ3 LYS 38 3HZ LYS 38 11.551 9.886 -6.986
293 H GLY 39 H GLY 39 7.173 8.292 -2.267
294 HA2 GLY 39 1HA GLY 39 8.600 7.367 -0.791
295 HA3 GLY 39 2HA GLY 39 9.231 8.965 -0.442
296 H ASP 40 H ASP 40 5.910 7.540 -0.040
297 HA ASP 40 HA ASP 40 6.018 8.500 2.696
298 HB2 ASP 40 1HB ASP 40 3.994 8.436 0.640
299 HB3 ASP 40 2HB ASP 40 3.433 7.431 1.961
300 H VAL 41 H VAL 41 5.526 7.018 4.455
301 HA VAL 41 HA VAL 41 5.828 4.214 3.703
302 HB VAL 41 HB VAL 41 6.194 5.737 6.285
303 HG11 VAL 41 1HG1 VAL 41 7.155 2.987 6.313
304 HG12 VAL 41 2HG1 VAL 41 6.138 3.853 7.489
305 HG13 VAL 41 3HG1 VAL 41 5.393 3.070 6.074
306 HG21 VAL 41 1HG2 VAL 41 8.278 6.020 5.544
307 HG22 VAL 41 2HG2 VAL 41 8.493 4.253 5.558
308 HG23 VAL 41 3HG2 VAL 41 7.927 5.069 4.081
309 H VAL 42 H VAL 42 4.242 2.691 4.057
310 HA VAL 42 HA VAL 42 1.968 3.438 5.697
311 HB VAL 42 HB VAL 42 0.398 2.782 3.880
312 HG11 VAL 42 1HG1 VAL 42 1.895 5.133 2.807
313 HG12 VAL 42 2HG1 VAL 42 0.163 4.943 3.171
314 HG13 VAL 42 3HG1 VAL 42 1.326 5.211 4.491
315 HG21 VAL 42 1HG2 VAL 42 1.305 1.715 2.123
316 HG22 VAL 42 2HG2 VAL 42 1.747 3.338 1.540
317 HG23 VAL 42 3HG2 VAL 42 2.930 2.366 2.448
318 H THR 43 H THR 43 0.772 1.593 6.442
319 HA THR 43 HA THR 43 2.280 -0.905 6.084
320 HB THR 43 HB THR 43 0.498 0.189 8.319
321 HG1 THR 43 1HG THR 43 2.842 0.831 7.945
322 HG21 THR 43 1HG2 THR 43 2.007 -2.473 8.145
323 HG22 THR 43 2HG2 THR 43 1.149 -1.850 9.575
324 HG23 THR 43 3HG2 THR 43 0.235 -2.311 8.119
325 H ILE 44 H ILE 44 1.390 -2.671 5.170
326 HA ILE 44 HA ILE 44 -0.995 -2.372 3.732
327 HB ILE 44 HB ILE 44 0.549 -4.863 4.463
328 HG12 ILE 44 1HG1 ILE 44 1.880 -3.080 3.325
329 HG13 ILE 44 2HG1 ILE 44 1.762 -4.583 2.431
330 HG21 ILE 44 1HG2 ILE 44 -0.557 -5.447 2.094
331 HG22 ILE 44 2HG2 ILE 44 -1.337 -5.820 3.650
332 HG23 ILE 44 3HG2 ILE 44 -1.820 -4.371 2.737
333 HD11 ILE 44 1HD1 ILE 44 -0.395 -3.357 1.372
334 HD12 ILE 44 2HD1 ILE 44 0.533 -1.910 1.831
335 HD13 ILE 44 3HD1 ILE 44 1.244 -3.107 0.723
336 H LEU 45 H LEU 45 -2.875 -1.944 4.814
337 HA LEU 45 HA LEU 45 -3.436 -3.070 7.344
338 HB2 LEU 45 1HB LEU 45 -5.116 -1.608 5.310
339 HB3 LEU 45 2HB LEU 45 -5.734 -2.138 6.861
340 HG LEU 45 HG LEU 45 -3.370 -0.272 6.541
341 HD11 LEU 45 1HD1 LEU 45 -5.955 0.354 5.864
342 HD12 LEU 45 2HD1 LEU 45 -5.871 0.870 7.566
343 HD13 LEU 45 3HD1 LEU 45 -4.707 1.513 6.382
344 HD21 LEU 45 1HD2 LEU 45 -3.772 0.237 8.916
345 HD22 LEU 45 2HD2 LEU 45 -5.051 -1.000 8.956
346 HD23 LEU 45 3HD2 LEU 45 -3.363 -1.475 8.651
347 H GLU 46 H GLU 46 -5.071 -3.582 4.133
348 HA GLU 46 HA GLU 46 -5.144 -6.393 4.737
349 HB2 GLU 46 1HB GLU 46 -7.339 -4.875 5.460
350 HB3 GLU 46 2HB GLU 46 -7.787 -5.373 3.841
351 HG2 GLU 46 1HG GLU 46 -7.840 -7.645 4.392
352 HG3 GLU 46 2HG GLU 46 -6.639 -7.481 5.658
353 H ALA 47 H ALA 47 -5.902 -7.686 2.790
354 HA ALA 47 HA ALA 47 -5.303 -6.172 0.341
355 HB1 ALA 47 1HB ALA 47 -4.675 -8.590 -0.449
356 HB2 ALA 47 2HB ALA 47 -3.542 -7.695 0.591
357 HB3 ALA 47 3HB ALA 47 -4.591 -8.949 1.293
358 H CYS 48 H CYS 48 -6.752 -6.281 -1.359
359 HA CYS 48 HA CYS 48 -9.159 -7.853 -0.798
360 HB2 CYS 48 1HB CYS 48 -8.864 -5.101 -1.402
361 HB3 CYS 48 2HB CYS 48 -9.556 -5.838 -2.834
362 HG CYS 48 HG CYS 48 -11.499 -4.925 -1.363
363 H GLU 49 H GLU 49 -10.198 -8.860 -2.741
364 HA GLU 49 HA GLU 49 -8.234 -10.072 -4.350
365 HB2 GLU 49 1HB GLU 49 -11.021 -10.468 -3.696
366 HB3 GLU 49 2HB GLU 49 -10.852 -10.517 -5.439
367 HG2 GLU 49 1HG GLU 49 -8.999 -12.193 -5.205
368 HG3 GLU 49 2HG GLU 49 -9.189 -12.152 -3.463
369 H ASN 50 H ASN 50 -7.222 -9.018 -6.006
370 HA ASN 50 HA ASN 50 -8.635 -8.145 -8.197
371 HB2 ASN 50 1HB ASN 50 -8.527 -6.163 -6.113
372 HB3 ASN 50 2HB ASN 50 -7.411 -5.636 -7.358
373 HD21 ASN 50 1HD2 ASN 50 -10.026 -4.597 -6.492
374 HD22 ASN 50 2HD2 ASN 50 -11.032 -4.527 -7.900
375 H LYS 51 H LYS 51 -5.776 -7.777 -6.041
376 HA LYS 51 HA LYS 51 -3.604 -7.922 -6.405
377 HB2 LYS 51 1HB LYS 51 -4.663 -9.307 -8.839
378 HB3 LYS 51 2HB LYS 51 -2.960 -8.897 -8.796
379 HG2 LYS 51 1HG LYS 51 -2.498 -10.511 -7.253
380 HG3 LYS 51 2HG LYS 51 -3.849 -10.047 -6.239
381 HD2 LYS 51 1HD LYS 51 -5.261 -11.617 -7.160
382 HD3 LYS 51 2HD LYS 51 -4.636 -11.385 -8.781
383 HE2 LYS 51 1HE LYS 51 -2.444 -12.529 -7.570
384 HE3 LYS 51 2HE LYS 51 -3.735 -13.280 -6.653
385 HZ1 LYS 51 1HZ LYS 51 -3.250 -13.413 -9.526
386 HZ2 LYS 51 2HZ LYS 51 -3.481 -14.636 -8.469
387 HZ3 LYS 51 3HZ LYS 51 -4.743 -13.709 -8.935
388 H SER 52 H SER 52 -5.305 -5.527 -7.126
389 HA SER 52 HA SER 52 -3.168 -4.138 -8.447
390 HB2 SER 52 1HB SER 52 -5.423 -4.964 -9.940
391 HB3 SER 52 2HB SER 52 -5.718 -3.270 -9.599
392 HG SER 52 HG SER 52 -4.081 -4.302 -11.460
393 H TRP 53 H TRP 53 -4.599 -4.368 -5.753
394 HA TRP 53 HA TRP 53 -4.769 -1.549 -5.277
395 HB2 TRP 53 1HB TRP 53 -7.244 -3.247 -5.284
396 HB3 TRP 53 2HB TRP 53 -7.093 -1.909 -4.163
397 HD1 TRP 53 HD TRP 53 -7.907 -2.624 -7.778
398 HE1 TRP 53 1HE TRP 53 -8.428 -0.429 -9.147
399 HE3 TRP 53 3HE TRP 53 -6.267 0.613 -4.217
400 HZ2 TRP 53 2HZ TRP 53 -8.103 2.353 -8.598
401 HZ3 TRP 53 3HZ TRP 53 -6.404 3.052 -4.713
402 HH2 TRP 53 HH TRP 53 -7.283 3.936 -6.815
403 H TYR 54 H TYR 54 -4.531 -1.119 -2.997
404 HA TYR 54 HA TYR 54 -4.487 -3.388 -1.201
405 HB2 TYR 54 1HB TYR 54 -2.113 -1.769 -2.244
406 HB3 TYR 54 2HB TYR 54 -2.049 -2.373 -0.600
407 HD1 TYR 54 2HD TYR 54 -2.493 -4.951 -0.301
408 HD2 TYR 54 1HD TYR 54 -1.364 -3.119 -3.998
409 HE1 TYR 54 2HE TYR 54 -1.656 -7.191 -1.163
410 HE2 TYR 54 1HE TYR 54 -0.531 -5.366 -4.849
411 HH TYR 54 HH TYR 54 0.353 -7.496 -3.731
412 H ARG 55 H ARG 55 -5.227 -2.761 0.774
413 HA ARG 55 HA ARG 55 -5.597 0.059 1.140
414 HB2 ARG 55 1HB ARG 55 -7.370 -1.761 1.624
415 HB3 ARG 55 2HB ARG 55 -6.418 -2.198 3.029
416 HG2 ARG 55 1HG ARG 55 -6.773 -0.078 4.083
417 HG3 ARG 55 2HG ARG 55 -7.278 0.683 2.587
418 HD2 ARG 55 1HD ARG 55 -9.007 -1.600 3.173
419 HD3 ARG 55 2HD ARG 55 -8.947 -0.525 4.556
420 HE ARG 55 HE ARG 55 -9.325 0.860 1.991
421 HH11 ARG 55 2HH2 ARG 55 -10.920 -0.688 4.719
422 HH12 ARG 55 1HH2 ARG 55 -12.421 0.141 4.476
423 HH21 ARG 55 2HH1 ARG 55 -11.305 1.954 1.670
424 HH22 ARG 55 1HH1 ARG 55 -12.642 1.654 2.730
425 H VAL 56 H VAL 56 -4.010 1.248 2.153
426 HA VAL 56 HA VAL 56 -2.497 -0.110 4.276
427 HB VAL 56 HB VAL 56 -0.537 1.022 3.607
428 HG11 VAL 56 1HG1 VAL 56 -0.064 0.004 1.549
429 HG12 VAL 56 2HG1 VAL 56 -1.397 -0.975 2.208
430 HG13 VAL 56 3HG1 VAL 56 -1.721 0.234 0.943
431 HG21 VAL 56 1HG2 VAL 56 -0.452 2.653 1.763
432 HG22 VAL 56 2HG2 VAL 56 -2.220 2.548 1.590
433 HG23 VAL 56 3HG2 VAL 56 -1.510 3.207 3.083
434 H LYS 57 H LYS 57 -1.310 1.816 5.621
435 HA LYS 57 HA LYS 57 -3.403 3.811 6.142
436 HB2 LYS 57 1HB LYS 57 -3.309 1.918 7.818
437 HB3 LYS 57 2HB LYS 57 -1.702 2.463 8.254
438 HG2 LYS 57 1HG LYS 57 -2.970 4.845 8.443
439 HG3 LYS 57 2HG LYS 57 -4.356 3.808 8.715
440 HD2 LYS 57 1HD LYS 57 -3.186 2.672 10.580
441 HD3 LYS 57 2HD LYS 57 -1.736 3.607 10.273
442 HE2 LYS 57 1HE LYS 57 -2.568 5.069 11.818
443 HE3 LYS 57 2HE LYS 57 -3.618 5.621 10.528
444 HZ1 LYS 57 1HZ LYS 57 -4.602 3.291 11.821
445 HZ2 LYS 57 2HZ LYS 57 -4.431 4.546 12.852
446 HZ3 LYS 57 3HZ LYS 57 -5.357 4.707 11.516
447 H HIS 58 H HIS 58 -2.731 5.904 6.118
448 HA HIS 58 HA HIS 58 -0.010 6.385 5.426
449 HB2 HIS 58 1HB HIS 58 -2.284 7.592 4.744
450 HB3 HIS 58 2HB HIS 58 -1.903 8.589 6.134
451 HD2 HIS 58 2HD HIS 58 -0.749 8.072 2.465
452 HE1 HIS 58 1HE HIS 58 1.780 11.036 4.176
453 HE2 HIS 58 2HE HIS 58 1.082 9.787 2.020
454 H HIS 59 H HIS 59 1.659 6.685 6.810
455 HA HIS 59 HA HIS 59 1.315 6.566 9.553
456 HB2 HIS 59 1HB HIS 59 3.419 6.430 7.780
457 HB3 HIS 59 2HB HIS 59 3.756 7.927 8.628
458 HD1 HIS 59 1HD HIS 59 2.909 4.288 9.508
459 HD2 HIS 59 2HD HIS 59 5.062 7.564 11.002
460 HE1 HIS 59 1HE HIS 59 4.120 3.456 11.594
461 H THR 60 H THR 60 2.769 9.434 7.880
462 HA THR 60 HA THR 60 2.378 11.244 9.859
463 HB THR 60 HB THR 60 2.374 11.440 6.817
464 HG1 THR 60 1HG THR 60 4.350 10.904 7.957
465 HG21 THR 60 1HG2 THR 60 1.945 13.595 8.887
466 HG22 THR 60 2HG2 THR 60 3.099 13.931 7.574
467 HG23 THR 60 3HG2 THR 60 1.405 13.540 7.192
468 H SER 61 H SER 61 0.071 10.869 7.078
469 HA SER 61 HA SER 61 -1.830 12.515 8.108
470 HB2 SER 61 1HB SER 61 -1.603 10.607 5.968
471 HB3 SER 61 2HB SER 61 -3.139 10.323 6.760
472 HG SER 61 HG SER 61 -2.326 12.467 5.173
473 H GLY 62 H GLY 62 -2.223 8.898 8.046
474 HA2 GLY 62 1HA GLY 62 -2.518 7.647 10.062
475 HA3 GLY 62 2HA GLY 62 -3.270 9.046 10.803
476 H GLN 63 H GLN 63 -4.062 8.479 7.434
477 HA GLN 63 HA GLN 63 -6.701 7.646 8.311
478 HB2 GLN 63 1HB GLN 63 -5.933 8.610 5.531
479 HB3 GLN 63 2HB GLN 63 -7.536 8.538 6.234
480 HG2 GLN 63 1HG GLN 63 -7.047 10.335 7.783
481 HG3 GLN 63 2HG GLN 63 -5.330 10.262 7.436
482 HE21 GLN 63 1HE2 GLN 63 -4.543 11.650 6.051
483 HE22 GLN 63 2HE2 GLN 63 -5.412 12.535 4.842
484 H GLU 64 H GLU 64 -7.818 6.311 6.276
485 HA GLU 64 HA GLU 64 -5.895 4.300 5.452
486 HB2 GLU 64 1HB GLU 64 -8.534 3.749 6.874
487 HB3 GLU 64 2HB GLU 64 -7.617 2.517 6.031
488 HG2 GLU 64 1HG GLU 64 -5.683 2.861 7.512
489 HG3 GLU 64 2HG GLU 64 -6.462 4.230 8.279
490 H GLY 65 H GLY 65 -5.997 4.204 3.254
491 HA2 GLY 65 1HA GLY 65 -8.645 4.210 1.989
492 HA3 GLY 65 2HA GLY 65 -7.477 5.417 1.490
493 H LEU 66 H LEU 66 -8.564 3.376 -0.243
494 HA LEU 66 HA LEU 66 -6.786 1.198 -0.455
495 HB2 LEU 66 1HB LEU 66 -8.753 2.446 -2.372
496 HB3 LEU 66 2HB LEU 66 -7.834 1.001 -2.740
497 HG LEU 66 HG LEU 66 -9.715 1.253 -0.379
498 HD11 LEU 66 1HD1 LEU 66 -10.645 1.382 -2.848
499 HD12 LEU 66 2HD1 LEU 66 -10.392 -0.379 -2.790
500 HD13 LEU 66 3HD1 LEU 66 -11.455 0.407 -1.599
501 HD21 LEU 66 1HD2 LEU 66 -7.970 -0.419 -0.059
502 HD22 LEU 66 2HD2 LEU 66 -9.557 -1.193 -0.288
503 HD23 LEU 66 3HD2 LEU 66 -8.378 -1.167 -1.622
504 H LEU 67 H LEU 67 -5.110 0.815 -2.028
505 HA LEU 67 HA LEU 67 -4.051 3.267 -3.232
506 HB2 LEU 67 1HB LEU 67 -2.956 1.911 -1.014
507 HB3 LEU 67 2HB LEU 67 -1.937 1.509 -2.382
508 HG LEU 67 HG LEU 67 -2.676 4.362 -1.711
509 HD11 LEU 67 1HD1 LEU 67 -0.809 2.563 -0.331
510 HD12 LEU 67 2HD1 LEU 67 -0.082 4.095 -0.874
511 HD13 LEU 67 3HD1 LEU 67 -1.513 4.114 0.185
512 HD21 LEU 67 1HD2 LEU 67 -1.862 4.005 -3.974
513 HD22 LEU 67 2HD2 LEU 67 -0.657 4.893 -3.011
514 HD23 LEU 67 3HD2 LEU 67 -0.426 3.161 -3.348
515 H ALA 68 H ALA 68 -2.979 2.974 -5.235
516 HA ALA 68 HA ALA 68 -3.878 0.667 -6.658
517 HB1 ALA 68 1HB ALA 68 -3.818 2.277 -8.231
518 HB2 ALA 68 2HB ALA 68 -2.809 3.326 -7.206
519 HB3 ALA 68 3HB ALA 68 -2.047 2.095 -8.241
520 H ALA 69 H ALA 69 -2.880 -1.278 -6.612
521 HA ALA 69 HA ALA 69 -0.503 -1.797 -5.365
522 HB1 ALA 69 1HB ALA 69 -0.720 -3.964 -6.261
523 HB2 ALA 69 2HB ALA 69 -2.391 -3.350 -6.256
524 HB3 ALA 69 3HB ALA 69 -1.454 -3.368 -7.769
525 H GLY 70 H GLY 70 -1.106 -0.375 -8.527
526 HA2 GLY 70 1HA GLY 70 1.627 -0.870 -9.429
527 HA3 GLY 70 2HA GLY 70 0.321 -0.129 -10.332
528 H ALA 71 H ALA 71 1.345 0.718 -6.980
529 HA ALA 71 HA ALA 71 2.788 3.028 -7.869
530 HB1 ALA 71 1HB ALA 71 -0.073 3.180 -7.066
531 HB2 ALA 71 2HB ALA 71 1.010 4.369 -6.303
532 HB3 ALA 71 3HB ALA 71 0.892 4.281 -8.077
533 H LEU 72 H LEU 72 3.092 0.511 -6.252
534 HA LEU 72 HA LEU 72 3.960 1.842 -3.793
535 HB2 LEU 72 1HB LEU 72 2.559 -0.832 -3.935
536 HB3 LEU 72 2HB LEU 72 3.273 -0.123 -2.500
537 HG LEU 72 HG LEU 72 1.062 1.251 -4.034
538 HD11 LEU 72 1HD1 LEU 72 -0.578 0.068 -3.024
539 HD12 LEU 72 2HD1 LEU 72 0.668 -1.204 -3.010
540 HD13 LEU 72 3HD1 LEU 72 0.379 -0.224 -1.552
541 HD21 LEU 72 1HD2 LEU 72 2.077 2.799 -2.612
542 HD22 LEU 72 2HD2 LEU 72 0.682 2.210 -1.676
543 HD23 LEU 72 3HD2 LEU 72 2.316 1.603 -1.317
544 H ARG 73 H ARG 73 5.865 0.906 -2.824
545 HA ARG 73 HA ARG 73 7.138 -1.123 -4.434
546 HB2 ARG 73 1HB ARG 73 9.282 0.185 -4.477
547 HB3 ARG 73 2HB ARG 73 8.003 0.984 -5.370
548 HG2 ARG 73 1HG ARG 73 8.272 2.826 -4.081
549 HG3 ARG 73 2HG ARG 73 7.762 1.906 -2.679
550 HD2 ARG 73 1HD ARG 73 9.956 1.472 -1.980
551 HD3 ARG 73 2HD ARG 73 10.608 1.544 -3.606
552 HE ARG 73 HE ARG 73 9.651 4.139 -3.038
553 HH11 ARG 73 2HH2 ARG 73 12.082 1.940 -1.758
554 HH12 ARG 73 1HH2 ARG 73 13.117 3.210 -1.194
555 HH21 ARG 73 2HH1 ARG 73 11.016 5.814 -2.294
556 HH22 ARG 73 1HH1 ARG 73 12.506 5.428 -1.501
557 H GLU 74 H GLU 74 9.370 -1.745 -3.253
558 HA GLU 74 HA GLU 74 8.634 -2.090 -0.490
559 HB2 GLU 74 1HB GLU 74 9.607 -3.869 -2.255
560 HB3 GLU 74 2HB GLU 74 11.143 -3.271 -1.662
561 HG2 GLU 74 1HG GLU 74 9.864 -3.617 0.723
562 HG3 GLU 74 2HG GLU 74 9.026 -4.833 -0.221
563 H ARG 75 H ARG 75 9.208 -0.418 0.849
564 HA ARG 75 HA ARG 75 10.896 1.545 0.430
565 HB2 ARG 75 1HB ARG 75 9.474 1.166 2.498
566 HB3 ARG 75 2HB ARG 75 10.699 0.069 3.104
567 HG2 ARG 75 1HG ARG 75 12.388 1.937 3.001
568 HG3 ARG 75 2HG ARG 75 11.126 3.026 2.460
569 HD2 ARG 75 1HD ARG 75 9.874 2.702 4.562
570 HD3 ARG 75 2HD ARG 75 11.009 1.477 5.093
571 HE ARG 75 HE ARG 75 11.402 4.366 5.190
572 HH11 ARG 75 2HH2 ARG 75 13.066 1.271 5.007
573 HH12 ARG 75 1HH2 ARG 75 14.536 1.876 5.695
574 HH21 ARG 75 2HH1 ARG 75 13.341 5.165 6.098
575 HH22 ARG 75 1HH1 ARG 75 14.693 4.106 6.320
576 H SER 76 H SER 76 11.829 -1.632 1.936
577 HA SER 76 HA SER 76 14.588 -0.873 1.827
578 HB2 SER 76 1HB SER 76 12.963 -2.890 3.188
579 HB3 SER 76 2HB SER 76 14.388 -3.622 2.479
580 HG SER 76 HG SER 76 14.573 -1.200 4.032
581 H GLY 77 H GLY 77 16.116 -1.618 0.328
582 HA2 GLY 77 1HA GLY 77 15.423 -3.791 -1.474
583 HA3 GLY 77 2HA GLY 77 15.551 -2.207 -2.211
584 HA PRO 78 HA PRO 78 19.747 -4.043 -1.816
585 HB2 PRO 78 1HB PRO 78 20.286 -4.525 -4.451
586 HB3 PRO 78 2HB PRO 78 19.693 -5.756 -3.354
587 HG2 PRO 78 1HG PRO 78 18.234 -4.308 -5.478
588 HG3 PRO 78 2HG PRO 78 17.803 -5.804 -4.675
589 HD2 PRO 78 1HD PRO 78 16.673 -3.212 -4.196
590 HD3 PRO 78 2HD PRO 78 16.325 -4.685 -3.314
591 H SER 79 H SER 79 20.132 -1.897 -1.023
592 HA SER 79 HA SER 79 21.000 -0.189 -3.219
593 HB2 SER 79 1HB SER 79 19.213 0.420 -1.243
594 HB3 SER 79 2HB SER 79 20.695 0.947 -0.470
595 HG SER 79 HG SER 79 20.923 1.919 -2.907
596 H SER 80 H SER 80 22.951 1.265 -2.629
597 HA SER 80 HA SER 80 24.708 -0.154 -0.792
598 HB2 SER 80 1HB SER 80 26.578 0.507 -2.502
599 HB3 SER 80 2HB SER 80 25.591 -0.904 -2.829
600 HG SER 80 HG SER 80 25.592 1.646 -4.103
601 H GLY 81 H GLY 81 22.982 2.359 -0.683
602 HA2 GLY 81 1HA GLY 81 23.431 4.203 0.678
603 HA3 GLY 81 2HA GLY 81 25.117 4.165 0.203
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -18.495 -19.933 14.447
2 HA2 GLY 1 1HA GLY 1 -19.555 -22.289 14.681
3 HA3 GLY 1 2HA GLY 1 -19.625 -22.183 12.933
4 H SER 2 H SER 2 -17.521 -21.685 11.752
5 HA SER 2 HA SER 2 -15.288 -22.761 13.290
6 HB2 SER 2 1HB SER 2 -16.335 -23.486 10.567
7 HB3 SER 2 2HB SER 2 -14.596 -23.502 10.785
8 HG SER 2 HG SER 2 -16.042 -25.517 11.317
9 H SER 3 H SER 3 -13.138 -21.945 12.650
10 HA SER 3 HA SER 3 -12.763 -20.105 10.645
11 HB2 SER 3 1HB SER 3 -13.982 -18.971 13.048
12 HB3 SER 3 2HB SER 3 -12.408 -18.255 12.763
13 HG SER 3 HG SER 3 -14.587 -17.478 11.608
14 H GLY 4 H GLY 4 -10.548 -20.038 10.325
15 HA2 GLY 4 1HA GLY 4 -8.559 -19.628 12.121
16 HA3 GLY 4 2HA GLY 4 -8.861 -21.349 12.259
17 H SER 5 H SER 5 -7.333 -18.849 10.420
18 HA SER 5 HA SER 5 -7.242 -20.098 7.940
19 HB2 SER 5 1HB SER 5 -6.594 -17.659 8.714
20 HB3 SER 5 2HB SER 5 -5.004 -18.344 8.985
21 HG SER 5 HG SER 5 -4.829 -18.887 6.788
22 H SER 6 H SER 6 -6.197 -21.959 7.337
23 HA SER 6 HA SER 6 -3.795 -22.631 8.839
24 HB2 SER 6 1HB SER 6 -5.605 -24.075 9.652
25 HB3 SER 6 2HB SER 6 -6.045 -24.515 8.014
26 HG SER 6 HG SER 6 -4.483 -25.985 7.967
27 H GLY 7 H GLY 7 -2.048 -22.866 7.487
28 HA2 GLY 7 1HA GLY 7 -1.606 -24.330 5.362
29 HA3 GLY 7 2HA GLY 7 -2.563 -23.069 4.611
30 H ARG 8 H ARG 8 -1.552 -21.204 3.949
31 HA ARG 8 HA ARG 8 -0.036 -19.687 3.675
32 HB2 ARG 8 1HB ARG 8 0.084 -20.176 6.475
33 HB3 ARG 8 2HB ARG 8 1.757 -20.138 5.955
34 HG2 ARG 8 1HG ARG 8 1.608 -17.872 6.027
35 HG3 ARG 8 2HG ARG 8 0.638 -17.979 4.571
36 HD2 ARG 8 1HD ARG 8 -0.927 -16.886 5.861
37 HD3 ARG 8 2HD ARG 8 -1.304 -18.506 6.411
38 HE ARG 8 HE ARG 8 0.847 -17.452 7.999
39 HH11 ARG 8 2HH2 ARG 8 -2.615 -17.070 7.497
40 HH12 ARG 8 1HH2 ARG 8 -2.916 -16.511 9.108
41 HH21 ARG 8 2HH1 ARG 8 0.450 -16.715 10.125
42 HH22 ARG 8 1HH1 ARG 8 -1.162 -16.308 10.613
43 H MET 9 H MET 9 1.853 -19.626 2.409
44 HA MET 9 HA MET 9 4.152 -20.911 2.769
45 HB2 MET 9 1HB MET 9 2.058 -22.824 2.060
46 HB3 MET 9 2HB MET 9 3.242 -22.779 0.769
47 HG2 MET 9 1HG MET 9 4.889 -22.817 2.996
48 HG3 MET 9 2HG MET 9 3.530 -23.765 3.568
49 HE1 MET 9 1HE MET 9 3.885 -26.256 3.465
50 HE2 MET 9 2HE MET 9 2.555 -25.820 2.365
51 HE3 MET 9 3HE MET 9 3.760 -27.032 1.868
52 HA PRO 10 HA PRO 10 3.482 -19.878 -1.813
53 HB2 PRO 10 1HB PRO 10 0.973 -19.314 -2.738
54 HB3 PRO 10 2HB PRO 10 1.709 -20.899 -2.867
55 HG2 PRO 10 1HG PRO 10 -0.408 -19.983 -1.018
56 HG3 PRO 10 2HG PRO 10 0.035 -21.621 -1.455
57 HD2 PRO 10 1HD PRO 10 0.684 -20.261 0.986
58 HD3 PRO 10 2HD PRO 10 1.223 -21.856 0.499
59 H THR 11 H THR 11 4.676 -18.142 -0.845
60 HA THR 11 HA THR 11 3.064 -15.731 -0.492
61 HB THR 11 HB THR 11 4.799 -16.574 1.213
62 HG1 THR 11 1HG THR 11 5.438 -14.338 1.472
63 HG21 THR 11 1HG2 THR 11 7.151 -16.032 0.742
64 HG22 THR 11 2HG2 THR 11 6.585 -17.177 -0.498
65 HG23 THR 11 3HG2 THR 11 6.725 -15.445 -0.883
66 H ARG 12 H ARG 12 3.057 -14.012 -1.844
67 HA ARG 12 HA ARG 12 5.106 -13.927 -3.862
68 HB2 ARG 12 1HB ARG 12 2.310 -14.705 -4.370
69 HB3 ARG 12 2HB ARG 12 2.754 -13.290 -5.303
70 HG2 ARG 12 1HG ARG 12 3.958 -14.565 -6.739
71 HG3 ARG 12 2HG ARG 12 4.955 -15.159 -5.426
72 HD2 ARG 12 1HD ARG 12 3.932 -17.187 -5.490
73 HD3 ARG 12 2HD ARG 12 2.355 -16.451 -5.285
74 HE ARG 12 HE ARG 12 3.573 -17.298 -7.810
75 HH11 ARG 12 2HH2 ARG 12 1.170 -15.188 -6.340
76 HH12 ARG 12 1HH2 ARG 12 0.217 -15.058 -7.780
77 HH21 ARG 12 2HH1 ARG 12 2.315 -17.126 -9.711
78 HH22 ARG 12 1HH1 ARG 12 0.872 -16.168 -9.710
79 H ARG 13 H ARG 13 1.915 -12.466 -2.870
80 HA ARG 13 HA ARG 13 2.917 -9.878 -3.533
81 HB2 ARG 13 1HB ARG 13 0.275 -10.926 -2.432
82 HB3 ARG 13 2HB ARG 13 0.586 -9.204 -2.537
83 HG2 ARG 13 1HG ARG 13 0.733 -11.154 -4.886
84 HG3 ARG 13 2HG ARG 13 -0.616 -10.086 -4.553
85 HD2 ARG 13 1HD ARG 13 0.439 -8.505 -5.801
86 HD3 ARG 13 2HD ARG 13 1.620 -8.368 -4.514
87 HE ARG 13 HE ARG 13 3.148 -9.327 -5.981
88 HH11 ARG 13 2HH2 ARG 13 -0.041 -10.625 -6.709
89 HH12 ARG 13 1HH2 ARG 13 0.524 -11.636 -7.997
90 HH21 ARG 13 2HH1 ARG 13 3.894 -10.659 -7.681
91 HH22 ARG 13 1HH1 ARG 13 2.778 -11.655 -8.554
92 H TRP 14 H TRP 14 2.343 -8.048 -1.764
93 HA TRP 14 HA TRP 14 3.993 -8.606 0.466
94 HB2 TRP 14 1HB TRP 14 2.239 -6.256 -0.255
95 HB3 TRP 14 2HB TRP 14 3.244 -6.308 1.180
96 HD1 TRP 14 HD TRP 14 5.984 -7.357 0.103
97 HE1 TRP 14 1HE TRP 14 7.493 -6.052 -1.624
98 HE3 TRP 14 3HE TRP 14 2.236 -4.506 -1.815
99 HZ2 TRP 14 2HZ TRP 14 6.962 -4.019 -3.555
100 HZ3 TRP 14 3HZ TRP 14 2.816 -2.886 -3.618
101 HH2 TRP 14 HH TRP 14 5.084 -2.617 -4.489
102 H ALA 15 H ALA 15 3.285 -8.448 2.767
103 HA ALA 15 HA ALA 15 0.601 -9.599 3.063
104 HB1 ALA 15 1HB ALA 15 1.546 -11.085 4.467
105 HB2 ALA 15 2HB ALA 15 3.127 -10.473 3.925
106 HB3 ALA 15 3HB ALA 15 2.363 -9.795 5.382
107 HA PRO 16 HA PRO 16 -0.588 -6.259 5.546
108 HB2 PRO 16 1HB PRO 16 -1.988 -7.366 7.616
109 HB3 PRO 16 2HB PRO 16 -2.656 -7.161 6.009
110 HG2 PRO 16 1HG PRO 16 -1.703 -9.634 7.318
111 HG3 PRO 16 2HG PRO 16 -2.744 -9.464 5.918
112 HD2 PRO 16 1HD PRO 16 0.036 -10.169 5.914
113 HD3 PRO 16 2HD PRO 16 -0.975 -9.885 4.511
114 H GLY 17 H GLY 17 0.812 -4.897 6.449
115 HA2 GLY 17 1HA GLY 17 1.517 -4.300 8.744
116 HA3 GLY 17 2HA GLY 17 2.137 -5.932 8.885
117 H THR 18 H THR 18 2.674 -5.369 5.702
118 HA THR 18 HA THR 18 5.439 -4.665 6.184
119 HB THR 18 HB THR 18 3.779 -5.633 3.813
120 HG1 THR 18 1HG THR 18 4.485 -7.210 5.363
121 HG21 THR 18 1HG2 THR 18 6.082 -4.034 3.542
122 HG22 THR 18 2HG2 THR 18 6.716 -5.697 3.524
123 HG23 THR 18 3HG2 THR 18 5.483 -5.202 2.340
124 H GLN 19 H GLN 19 6.515 -2.828 5.557
125 HA GLN 19 HA GLN 19 4.769 -0.599 5.076
126 HB2 GLN 19 1HB GLN 19 7.731 -0.848 5.720
127 HB3 GLN 19 2HB GLN 19 6.996 0.692 5.323
128 HG2 GLN 19 1HG GLN 19 5.342 0.362 7.193
129 HG3 GLN 19 2HG GLN 19 6.132 -1.147 7.606
130 HE21 GLN 19 1HE2 GLN 19 5.962 0.620 9.541
131 HE22 GLN 19 2HE2 GLN 19 7.469 1.398 9.891
132 H CYS 20 H CYS 20 4.354 0.208 3.066
133 HA CYS 20 HA CYS 20 6.256 -0.525 0.961
134 HB2 CYS 20 1HB CYS 20 3.265 -0.044 0.778
135 HB3 CYS 20 2HB CYS 20 4.317 -0.250 -0.609
136 HG CYS 20 HG CYS 20 3.200 -2.515 -0.337
137 H ILE 21 H ILE 21 6.677 1.169 -0.675
138 HA ILE 21 HA ILE 21 6.124 3.853 0.388
139 HB ILE 21 HB ILE 21 8.501 3.082 -1.290
140 HG12 ILE 21 1HG1 ILE 21 8.726 1.705 0.636
141 HG13 ILE 21 2HG1 ILE 21 9.794 3.076 0.856
142 HG21 ILE 21 1HG2 ILE 21 8.127 5.416 0.598
143 HG22 ILE 21 2HG2 ILE 21 9.423 5.160 -0.596
144 HG23 ILE 21 3HG2 ILE 21 7.760 5.483 -1.143
145 HD11 ILE 21 1HD1 ILE 21 7.496 2.244 2.469
146 HD12 ILE 21 2HD1 ILE 21 8.787 3.403 2.862
147 HD13 ILE 21 3HD1 ILE 21 7.351 3.943 1.960
148 H THR 22 H THR 22 5.733 5.548 -1.193
149 HA THR 22 HA THR 22 4.314 4.488 -3.493
150 HB THR 22 HB THR 22 3.599 6.941 -3.628
151 HG1 THR 22 1HG THR 22 4.548 8.293 -2.065
152 HG21 THR 22 1HG2 THR 22 2.034 5.764 -2.300
153 HG22 THR 22 2HG2 THR 22 3.266 5.286 -1.107
154 HG23 THR 22 3HG2 THR 22 2.655 6.958 -1.135
155 H LYS 23 H LYS 23 4.956 4.537 -5.571
156 HA LYS 23 HA LYS 23 7.669 5.236 -6.078
157 HB2 LYS 23 1HB LYS 23 5.399 4.212 -7.793
158 HB3 LYS 23 2HB LYS 23 6.966 4.615 -8.463
159 HG2 LYS 23 1HG LYS 23 8.025 2.819 -7.454
160 HG3 LYS 23 2HG LYS 23 7.025 2.894 -6.017
161 HD2 LYS 23 1HD LYS 23 5.659 1.273 -6.821
162 HD3 LYS 23 2HD LYS 23 5.335 2.209 -8.267
163 HE2 LYS 23 1HE LYS 23 8.031 1.039 -8.341
164 HE3 LYS 23 2HE LYS 23 6.811 -0.197 -8.110
165 HZ1 LYS 23 1HZ LYS 23 7.423 1.148 -10.437
166 HZ2 LYS 23 2HZ LYS 23 6.263 0.021 -10.214
167 HZ3 LYS 23 3HZ LYS 23 5.909 1.605 -10.030
168 H CYS 24 H CYS 24 4.503 6.796 -6.398
169 HA CYS 24 HA CYS 24 5.918 9.155 -7.377
170 HB2 CYS 24 1HB CYS 24 3.457 7.894 -8.579
171 HB3 CYS 24 2HB CYS 24 3.712 9.624 -8.695
172 HG CYS 24 HG CYS 24 6.504 8.520 -9.200
173 H GLU 25 H GLU 25 4.082 11.087 -7.191
174 HA GLU 25 HA GLU 25 3.098 10.786 -4.470
175 HB2 GLU 25 1HB GLU 25 3.320 13.161 -4.228
176 HB3 GLU 25 2HB GLU 25 4.785 12.613 -5.017
177 HG2 GLU 25 1HG GLU 25 3.471 13.129 -7.257
178 HG3 GLU 25 2HG GLU 25 2.430 14.093 -6.228
179 H HIS 26 H HIS 26 0.913 10.976 -4.006
180 HA HIS 26 HA HIS 26 -0.790 11.587 -6.311
181 HB2 HIS 26 1HB HIS 26 -0.681 9.218 -5.048
182 HB3 HIS 26 2HB HIS 26 -1.844 10.016 -4.008
183 HD1 HIS 26 1HD HIS 26 -1.626 10.453 -7.795
184 HD2 HIS 26 2HD HIS 26 -4.147 8.776 -4.892
185 HE1 HIS 26 1HE HIS 26 -3.748 9.738 -9.018
186 H THR 27 H THR 27 -1.464 13.674 -6.132
187 HA THR 27 HA THR 27 -1.954 14.739 -3.458
188 HB THR 27 HB THR 27 -2.037 16.906 -4.736
189 HG1 THR 27 1HG THR 27 -1.498 16.575 -7.086
190 HG21 THR 27 1HG2 THR 27 0.241 16.896 -4.567
191 HG22 THR 27 2HG2 THR 27 0.264 15.117 -4.617
192 HG23 THR 27 3HG2 THR 27 0.308 16.051 -6.132
193 H ARG 28 H ARG 28 -3.650 14.019 -6.546
194 HA ARG 28 HA ARG 28 -6.107 14.513 -5.062
195 HB2 ARG 28 1HB ARG 28 -5.332 15.041 -7.937
196 HB3 ARG 28 2HB ARG 28 -7.006 14.646 -7.600
197 HG2 ARG 28 1HG ARG 28 -7.303 16.551 -6.188
198 HG3 ARG 28 2HG ARG 28 -5.579 16.778 -5.974
199 HD2 ARG 28 1HD ARG 28 -5.335 17.457 -8.345
200 HD3 ARG 28 2HD ARG 28 -7.030 17.128 -8.642
201 HE ARG 28 HE ARG 28 -5.922 19.478 -7.307
202 HH11 ARG 28 2HH2 ARG 28 -8.780 17.449 -7.616
203 HH12 ARG 28 1HH2 ARG 28 -9.875 18.694 -7.116
204 HH21 ARG 28 2HH1 ARG 28 -7.367 21.121 -6.646
205 HH22 ARG 28 1HH1 ARG 28 -9.066 20.797 -6.560
206 HA PRO 29 HA PRO 29 -6.161 10.117 -5.971
207 HB2 PRO 29 1HB PRO 29 -7.457 9.336 -3.696
208 HB3 PRO 29 2HB PRO 29 -5.712 9.429 -3.820
209 HG2 PRO 29 1HG PRO 29 -7.573 11.266 -2.441
210 HG3 PRO 29 2HG PRO 29 -5.841 11.095 -2.230
211 HD2 PRO 29 1HD PRO 29 -7.198 13.180 -3.657
212 HD3 PRO 29 2HD PRO 29 -5.465 12.944 -3.544
213 H LYS 30 H LYS 30 -7.948 8.424 -6.120
214 HA LYS 30 HA LYS 30 -9.887 9.402 -7.770
215 HB2 LYS 30 1HB LYS 30 -9.249 6.908 -6.466
216 HB3 LYS 30 2HB LYS 30 -10.984 7.149 -6.453
217 HG2 LYS 30 1HG LYS 30 -11.022 7.497 -8.880
218 HG3 LYS 30 2HG LYS 30 -9.272 7.500 -8.956
219 HD2 LYS 30 1HD LYS 30 -9.189 5.232 -9.057
220 HD3 LYS 30 2HD LYS 30 -10.199 5.069 -7.634
221 HE2 LYS 30 1HE LYS 30 -12.242 5.303 -8.978
222 HE3 LYS 30 2HE LYS 30 -11.309 5.688 -10.411
223 HZ1 LYS 30 1HZ LYS 30 -10.272 3.469 -10.152
224 HZ2 LYS 30 2HZ LYS 30 -11.356 3.129 -8.979
225 HZ3 LYS 30 3HZ LYS 30 -11.867 3.425 -10.501
226 HA PRO 31 HA PRO 31 -13.037 11.043 -5.306
227 HB2 PRO 31 1HB PRO 31 -15.377 9.978 -6.232
228 HB3 PRO 31 2HB PRO 31 -14.517 11.263 -7.056
229 HG2 PRO 31 1HG PRO 31 -14.691 8.398 -7.764
230 HG3 PRO 31 2HG PRO 31 -14.212 9.750 -8.770
231 HD2 PRO 31 1HD PRO 31 -12.477 7.815 -7.558
232 HD3 PRO 31 2HD PRO 31 -11.993 9.232 -8.467
233 H GLY 32 H GLY 32 -12.242 10.249 -3.296
234 HA2 GLY 32 1HA GLY 32 -13.432 9.543 -1.310
235 HA3 GLY 32 2HA GLY 32 -14.089 8.201 -2.226
236 H GLU 33 H GLU 33 -10.760 9.132 -2.898
237 HA GLU 33 HA GLU 33 -9.930 6.726 -1.481
238 HB2 GLU 33 1HB GLU 33 -8.978 8.077 -4.010
239 HB3 GLU 33 2HB GLU 33 -7.850 7.093 -3.099
240 HG2 GLU 33 1HG GLU 33 -10.552 6.183 -4.195
241 HG3 GLU 33 2HG GLU 33 -8.979 5.728 -4.820
242 H LEU 34 H LEU 34 -7.366 6.918 -0.950
243 HA LEU 34 HA LEU 34 -7.183 9.319 0.691
244 HB2 LEU 34 1HB LEU 34 -6.876 7.458 2.010
245 HB3 LEU 34 2HB LEU 34 -6.000 6.578 0.773
246 HG LEU 34 HG LEU 34 -4.183 8.460 1.147
247 HD11 LEU 34 1HD1 LEU 34 -4.205 9.651 3.073
248 HD12 LEU 34 2HD1 LEU 34 -5.965 9.467 2.880
249 HD13 LEU 34 3HD1 LEU 34 -5.073 8.389 3.981
250 HD21 LEU 34 1HD2 LEU 34 -2.994 6.776 1.990
251 HD22 LEU 34 2HD2 LEU 34 -4.031 6.656 3.432
252 HD23 LEU 34 3HD2 LEU 34 -4.494 5.818 1.931
253 H ALA 35 H ALA 35 -5.184 10.579 0.752
254 HA ALA 35 HA ALA 35 -3.832 10.495 -1.856
255 HB1 ALA 35 1HB ALA 35 -4.061 12.744 -1.967
256 HB2 ALA 35 2HB ALA 35 -5.297 12.539 -0.703
257 HB3 ALA 35 3HB ALA 35 -3.627 12.962 -0.255
258 H PHE 36 H PHE 36 -1.511 11.026 -1.860
259 HA PHE 36 HA PHE 36 -0.130 11.102 0.630
260 HB2 PHE 36 1HB PHE 36 1.100 8.898 0.042
261 HB3 PHE 36 2HB PHE 36 -0.555 8.694 0.579
262 HD1 PHE 36 2HD PHE 36 -2.311 8.067 -1.010
263 HD2 PHE 36 1HD PHE 36 1.732 8.437 -2.246
264 HE1 PHE 36 2HE PHE 36 -2.840 6.810 -3.117
265 HE2 PHE 36 1HE PHE 36 1.203 7.180 -4.353
266 HZ PHE 36 HZ PHE 36 -1.077 6.381 -4.763
267 H ARG 37 H ARG 37 2.270 11.246 0.293
268 HA ARG 37 HA ARG 37 2.721 12.491 -2.274
269 HB2 ARG 37 1HB ARG 37 4.139 12.605 0.417
270 HB3 ARG 37 2HB ARG 37 4.935 13.198 -1.028
271 HG2 ARG 37 1HG ARG 37 2.170 14.132 -0.128
272 HG3 ARG 37 2HG ARG 37 3.654 14.963 0.295
273 HD2 ARG 37 1HD ARG 37 3.720 14.506 -2.548
274 HD3 ARG 37 2HD ARG 37 2.132 15.141 -2.163
275 HE ARG 37 HE ARG 37 3.108 17.185 -1.493
276 HH11 ARG 37 2HH2 ARG 37 5.602 14.759 -2.022
277 HH12 ARG 37 1HH2 ARG 37 6.905 15.898 -1.952
278 HH21 ARG 37 2HH1 ARG 37 4.827 18.688 -1.400
279 HH22 ARG 37 1HH1 ARG 37 6.461 18.148 -1.596
280 H LYS 38 H LYS 38 5.191 12.217 -3.048
281 HA LYS 38 HA LYS 38 5.532 9.409 -3.460
282 HB2 LYS 38 1HB LYS 38 5.885 10.904 -5.306
283 HB3 LYS 38 2HB LYS 38 7.047 11.855 -4.403
284 HG2 LYS 38 1HG LYS 38 8.175 9.350 -4.187
285 HG3 LYS 38 2HG LYS 38 7.394 9.213 -5.749
286 HD2 LYS 38 1HD LYS 38 8.854 11.775 -5.342
287 HD3 LYS 38 2HD LYS 38 9.881 10.356 -5.320
288 HE2 LYS 38 1HE LYS 38 8.309 9.769 -7.494
289 HE3 LYS 38 2HE LYS 38 8.299 11.519 -7.577
290 HZ1 LYS 38 1HZ LYS 38 10.275 11.321 -8.502
291 HZ2 LYS 38 2HZ LYS 38 10.882 10.865 -7.057
292 HZ3 LYS 38 3HZ LYS 38 10.408 9.735 -8.136
293 H GLY 39 H GLY 39 6.608 8.046 -2.146
294 HA2 GLY 39 1HA GLY 39 8.482 7.351 -0.975
295 HA3 GLY 39 2HA GLY 39 8.993 9.013 -0.763
296 H ASP 40 H ASP 40 5.758 7.522 -0.101
297 HA ASP 40 HA ASP 40 6.076 8.481 2.626
298 HB2 ASP 40 1HB ASP 40 3.787 8.201 0.728
299 HB3 ASP 40 2HB ASP 40 3.420 7.768 2.386
300 H VAL 41 H VAL 41 5.639 6.994 4.389
301 HA VAL 41 HA VAL 41 5.806 4.201 3.604
302 HB VAL 41 HB VAL 41 6.150 5.662 6.226
303 HG11 VAL 41 1HG1 VAL 41 7.060 2.863 6.073
304 HG12 VAL 41 2HG1 VAL 41 6.216 3.729 7.380
305 HG13 VAL 41 3HG1 VAL 41 5.292 3.064 6.011
306 HG21 VAL 41 1HG2 VAL 41 8.490 4.301 5.611
307 HG22 VAL 41 2HG2 VAL 41 7.937 4.914 4.034
308 HG23 VAL 41 3HG2 VAL 41 8.193 6.042 5.387
309 H VAL 42 H VAL 42 4.186 2.705 3.917
310 HA VAL 42 HA VAL 42 1.887 3.515 5.504
311 HB VAL 42 HB VAL 42 0.375 2.773 3.652
312 HG11 VAL 42 1HG1 VAL 42 1.346 5.242 4.230
313 HG12 VAL 42 2HG1 VAL 42 1.795 5.114 2.513
314 HG13 VAL 42 3HG1 VAL 42 0.094 4.925 3.005
315 HG21 VAL 42 1HG2 VAL 42 1.330 1.726 1.917
316 HG22 VAL 42 2HG2 VAL 42 1.851 3.336 1.367
317 HG23 VAL 42 3HG2 VAL 42 2.950 2.329 2.339
318 H THR 43 H THR 43 0.737 1.736 6.381
319 HA THR 43 HA THR 43 2.198 -0.798 6.115
320 HB THR 43 HB THR 43 0.399 0.407 8.278
321 HG1 THR 43 1HG THR 43 2.711 1.059 7.994
322 HG21 THR 43 1HG2 THR 43 1.435 -1.664 9.555
323 HG22 THR 43 2HG2 THR 43 -0.017 -1.921 8.558
324 HG23 THR 43 3HG2 THR 43 1.586 -2.372 7.929
325 H ILE 44 H ILE 44 1.312 -2.574 5.229
326 HA ILE 44 HA ILE 44 -1.081 -2.306 3.788
327 HB ILE 44 HB ILE 44 0.603 -4.700 4.519
328 HG12 ILE 44 1HG1 ILE 44 1.648 -2.894 3.123
329 HG13 ILE 44 2HG1 ILE 44 1.588 -4.476 2.370
330 HG21 ILE 44 1HG2 ILE 44 -0.851 -6.086 3.569
331 HG22 ILE 44 2HG2 ILE 44 -2.038 -4.760 3.623
332 HG23 ILE 44 3HG2 ILE 44 -1.057 -5.018 2.160
333 HD11 ILE 44 1HD1 ILE 44 0.541 -2.033 1.350
334 HD12 ILE 44 2HD1 ILE 44 0.382 -3.657 0.640
335 HD13 ILE 44 3HD1 ILE 44 -0.864 -3.048 1.756
336 H LEU 45 H LEU 45 -3.053 -2.071 4.699
337 HA LEU 45 HA LEU 45 -3.573 -3.060 7.317
338 HB2 LEU 45 1HB LEU 45 -5.398 -1.862 5.228
339 HB3 LEU 45 2HB LEU 45 -5.842 -2.191 6.891
340 HG LEU 45 HG LEU 45 -3.466 -0.442 6.380
341 HD11 LEU 45 1HD1 LEU 45 -5.107 0.437 4.816
342 HD12 LEU 45 2HD1 LEU 45 -6.337 0.490 6.102
343 HD13 LEU 45 3HD1 LEU 45 -4.906 1.543 6.196
344 HD21 LEU 45 1HD2 LEU 45 -5.092 -1.203 8.614
345 HD22 LEU 45 2HD2 LEU 45 -3.610 -0.218 8.580
346 HD23 LEU 45 3HD2 LEU 45 -5.200 0.559 8.383
347 H GLU 46 H GLU 46 -4.934 -3.844 4.036
348 HA GLU 46 HA GLU 46 -5.161 -6.577 4.972
349 HB2 GLU 46 1HB GLU 46 -7.389 -4.866 4.790
350 HB3 GLU 46 2HB GLU 46 -7.461 -5.809 3.314
351 HG2 GLU 46 1HG GLU 46 -8.671 -7.090 4.934
352 HG3 GLU 46 2HG GLU 46 -7.130 -7.906 4.765
353 H ALA 47 H ALA 47 -4.343 -7.988 3.473
354 HA ALA 47 HA ALA 47 -3.532 -6.903 0.931
355 HB1 ALA 47 1HB ALA 47 -2.214 -8.862 0.759
356 HB2 ALA 47 2HB ALA 47 -2.204 -8.476 2.496
357 HB3 ALA 47 3HB ALA 47 -3.260 -9.769 1.878
358 H CYS 48 H CYS 48 -4.790 -6.923 -0.858
359 HA CYS 48 HA CYS 48 -6.297 -9.225 -1.521
360 HB2 CYS 48 1HB CYS 48 -7.773 -8.014 0.205
361 HB3 CYS 48 2HB CYS 48 -7.992 -6.772 -1.012
362 HG CYS 48 HG CYS 48 -10.020 -7.984 -1.576
363 H GLU 49 H GLU 49 -6.321 -9.287 -3.763
364 HA GLU 49 HA GLU 49 -4.910 -7.601 -5.269
365 HB2 GLU 49 1HB GLU 49 -6.765 -9.745 -5.713
366 HB3 GLU 49 2HB GLU 49 -7.153 -8.483 -6.865
367 HG2 GLU 49 1HG GLU 49 -4.237 -8.967 -6.568
368 HG3 GLU 49 2HG GLU 49 -5.122 -10.356 -7.167
369 H ASN 50 H ASN 50 -8.495 -7.412 -4.717
370 HA ASN 50 HA ASN 50 -9.941 -5.832 -5.106
371 HB2 ASN 50 1HB ASN 50 -7.568 -4.128 -4.196
372 HB3 ASN 50 2HB ASN 50 -9.174 -3.459 -4.413
373 HD21 ASN 50 1HD2 ASN 50 -8.495 -3.043 -2.053
374 HD22 ASN 50 2HD2 ASN 50 -9.078 -4.171 -0.875
375 H LYS 51 H LYS 51 -8.218 -6.648 -7.410
376 HA LYS 51 HA LYS 51 -7.870 -6.094 -9.517
377 HB2 LYS 51 1HB LYS 51 -9.558 -3.625 -9.032
378 HB3 LYS 51 2HB LYS 51 -9.220 -4.393 -10.570
379 HG2 LYS 51 1HG LYS 51 -10.414 -6.151 -8.451
380 HG3 LYS 51 2HG LYS 51 -11.462 -4.906 -9.102
381 HD2 LYS 51 1HD LYS 51 -9.879 -6.516 -11.088
382 HD3 LYS 51 2HD LYS 51 -11.184 -7.345 -10.263
383 HE2 LYS 51 1HE LYS 51 -12.777 -6.239 -11.461
384 HE3 LYS 51 2HE LYS 51 -12.037 -4.680 -11.153
385 HZ1 LYS 51 1HZ LYS 51 -10.910 -4.771 -13.065
386 HZ2 LYS 51 2HZ LYS 51 -10.624 -6.377 -12.993
387 HZ3 LYS 51 3HZ LYS 51 -12.070 -5.828 -13.519
388 H SER 52 H SER 52 -5.749 -5.678 -7.938
389 HA SER 52 HA SER 52 -3.816 -4.684 -7.925
390 HB2 SER 52 1HB SER 52 -4.744 -4.024 -10.441
391 HB3 SER 52 2HB SER 52 -4.429 -2.435 -9.772
392 HG SER 52 HG SER 52 -2.631 -4.466 -10.505
393 H TRP 53 H TRP 53 -5.593 -4.047 -5.911
394 HA TRP 53 HA TRP 53 -4.880 -1.260 -5.385
395 HB2 TRP 53 1HB TRP 53 -7.640 -2.448 -5.302
396 HB3 TRP 53 2HB TRP 53 -7.201 -1.115 -4.252
397 HD1 TRP 53 HD TRP 53 -8.030 -1.864 -7.898
398 HE1 TRP 53 1HE TRP 53 -8.224 0.341 -9.335
399 HE3 TRP 53 3HE TRP 53 -6.185 1.250 -4.327
400 HZ2 TRP 53 2HZ TRP 53 -7.598 3.079 -8.828
401 HZ3 TRP 53 3HZ TRP 53 -6.009 3.675 -4.879
402 HH2 TRP 53 HH TRP 53 -6.680 4.601 -7.039
403 H TYR 54 H TYR 54 -4.442 -0.877 -3.147
404 HA TYR 54 HA TYR 54 -4.690 -3.210 -1.394
405 HB2 TYR 54 1HB TYR 54 -2.276 -1.583 -2.305
406 HB3 TYR 54 2HB TYR 54 -2.271 -2.188 -0.660
407 HD1 TYR 54 1HD TYR 54 -2.446 -4.696 -0.271
408 HD2 TYR 54 2HD TYR 54 -1.752 -3.003 -4.138
409 HE1 TYR 54 1HE TYR 54 -1.585 -6.937 -1.105
410 HE2 TYR 54 2HE TYR 54 -0.892 -5.250 -4.959
411 HH TYR 54 HH TYR 54 -0.796 -7.413 -4.503
412 H ARG 55 H ARG 55 -5.220 -2.713 0.721
413 HA ARG 55 HA ARG 55 -5.745 0.086 1.166
414 HB2 ARG 55 1HB ARG 55 -7.545 -1.607 1.596
415 HB3 ARG 55 2HB ARG 55 -6.532 -2.381 2.798
416 HG2 ARG 55 1HG ARG 55 -6.751 -0.614 4.334
417 HG3 ARG 55 2HG ARG 55 -7.072 0.575 3.088
418 HD2 ARG 55 1HD ARG 55 -9.320 -0.455 2.682
419 HD3 ARG 55 2HD ARG 55 -8.999 -1.647 3.926
420 HE ARG 55 HE ARG 55 -8.573 0.818 5.183
421 HH11 ARG 55 2HH2 ARG 55 -11.253 -0.728 3.508
422 HH12 ARG 55 1HH2 ARG 55 -12.469 0.106 4.416
423 HH21 ARG 55 2HH1 ARG 55 -10.177 1.919 6.382
424 HH22 ARG 55 1HH1 ARG 55 -11.853 1.622 6.062
425 H VAL 56 H VAL 56 -4.064 1.228 2.092
426 HA VAL 56 HA VAL 56 -2.569 -0.141 4.222
427 HB VAL 56 HB VAL 56 -0.613 1.038 3.556
428 HG11 VAL 56 1HG1 VAL 56 -0.122 -0.017 1.499
429 HG12 VAL 56 2HG1 VAL 56 -1.362 -1.040 2.263
430 HG13 VAL 56 3HG1 VAL 56 -1.813 0.075 0.951
431 HG21 VAL 56 1HG2 VAL 56 -2.194 2.383 1.344
432 HG22 VAL 56 2HG2 VAL 56 -1.810 3.154 2.902
433 HG23 VAL 56 3HG2 VAL 56 -0.498 2.668 1.801
434 H LYS 57 H LYS 57 -1.433 1.666 5.668
435 HA LYS 57 HA LYS 57 -3.485 3.706 6.180
436 HB2 LYS 57 1HB LYS 57 -3.510 1.900 7.860
437 HB3 LYS 57 2HB LYS 57 -1.815 2.183 8.203
438 HG2 LYS 57 1HG LYS 57 -2.870 4.742 8.444
439 HG3 LYS 57 2HG LYS 57 -4.197 3.757 9.026
440 HD2 LYS 57 1HD LYS 57 -2.636 2.603 10.614
441 HD3 LYS 57 2HD LYS 57 -1.318 3.605 10.040
442 HE2 LYS 57 1HE LYS 57 -2.656 5.656 10.740
443 HE3 LYS 57 2HE LYS 57 -3.850 4.583 11.443
444 HZ1 LYS 57 1HZ LYS 57 -1.024 4.395 12.181
445 HZ2 LYS 57 2HZ LYS 57 -2.034 5.435 12.934
446 HZ3 LYS 57 3HZ LYS 57 -2.322 3.829 12.995
447 H HIS 58 H HIS 58 -2.797 5.766 5.970
448 HA HIS 58 HA HIS 58 -0.083 6.249 5.343
449 HB2 HIS 58 1HB HIS 58 -2.353 7.462 4.667
450 HB3 HIS 58 2HB HIS 58 -1.970 8.459 6.056
451 HD2 HIS 58 2HD HIS 58 -0.664 7.797 2.426
452 HE1 HIS 58 1HE HIS 58 1.599 11.007 4.065
453 HE2 HIS 58 2HE HIS 58 1.092 9.584 1.964
454 H HIS 59 H HIS 59 1.588 6.491 6.734
455 HA HIS 59 HA HIS 59 1.155 6.512 9.502
456 HB2 HIS 59 1HB HIS 59 3.140 5.566 8.346
457 HB3 HIS 59 2HB HIS 59 3.665 7.188 7.943
458 HD1 HIS 59 1HD HIS 59 5.866 6.676 9.346
459 HD2 HIS 59 2HD HIS 59 2.308 6.786 11.565
460 HE1 HIS 59 1HE HIS 59 6.557 6.847 11.796
461 H THR 60 H THR 60 2.628 9.069 7.368
462 HA THR 60 HA THR 60 2.752 11.083 9.195
463 HB THR 60 HB THR 60 2.229 10.982 6.195
464 HG1 THR 60 1HG THR 60 4.327 10.401 7.150
465 HG21 THR 60 1HG2 THR 60 3.002 13.430 6.258
466 HG22 THR 60 2HG2 THR 60 1.332 13.165 6.815
467 HG23 THR 60 3HG2 THR 60 2.636 13.419 8.000
468 H SER 61 H SER 61 -0.043 10.624 6.920
469 HA SER 61 HA SER 61 -1.586 12.505 8.258
470 HB2 SER 61 1HB SER 61 -1.801 10.873 5.945
471 HB3 SER 61 2HB SER 61 -3.194 10.461 6.926
472 HG SER 61 HG SER 61 -3.911 12.591 6.885
473 H GLY 62 H GLY 62 -2.118 8.901 8.079
474 HA2 GLY 62 1HA GLY 62 -2.241 7.619 10.110
475 HA3 GLY 62 2HA GLY 62 -2.985 8.993 10.903
476 H GLN 63 H GLN 63 -3.967 8.506 7.587
477 HA GLN 63 HA GLN 63 -6.529 7.589 8.587
478 HB2 GLN 63 1HB GLN 63 -5.874 8.624 5.798
479 HB3 GLN 63 2HB GLN 63 -7.465 8.434 6.507
480 HG2 GLN 63 1HG GLN 63 -7.173 10.265 7.990
481 HG3 GLN 63 2HG GLN 63 -5.425 10.207 7.879
482 HE21 GLN 63 1HE2 GLN 63 -4.584 10.451 5.550
483 HE22 GLN 63 2HE2 GLN 63 -5.247 11.756 4.624
484 H GLU 64 H GLU 64 -7.713 6.268 6.556
485 HA GLU 64 HA GLU 64 -5.799 4.255 5.704
486 HB2 GLU 64 1HB GLU 64 -8.440 3.745 7.133
487 HB3 GLU 64 2HB GLU 64 -7.585 2.500 6.244
488 HG2 GLU 64 1HG GLU 64 -5.730 2.522 7.734
489 HG3 GLU 64 2HG GLU 64 -6.122 4.113 8.356
490 H GLY 65 H GLY 65 -5.881 4.185 3.504
491 HA2 GLY 65 1HA GLY 65 -8.521 4.240 2.218
492 HA3 GLY 65 2HA GLY 65 -7.321 5.421 1.731
493 H LEU 66 H LEU 66 -8.219 3.732 -0.222
494 HA LEU 66 HA LEU 66 -6.589 1.384 -0.371
495 HB2 LEU 66 1HB LEU 66 -8.617 2.732 -2.109
496 HB3 LEU 66 2HB LEU 66 -7.555 1.526 -2.809
497 HG LEU 66 HG LEU 66 -9.435 1.094 -0.470
498 HD11 LEU 66 1HD1 LEU 66 -10.042 1.230 -3.169
499 HD12 LEU 66 2HD1 LEU 66 -9.861 -0.514 -2.866
500 HD13 LEU 66 3HD1 LEU 66 -11.012 0.442 -1.901
501 HD21 LEU 66 1HD2 LEU 66 -7.469 -0.759 -1.824
502 HD22 LEU 66 2HD2 LEU 66 -7.586 -0.331 -0.101
503 HD23 LEU 66 3HD2 LEU 66 -8.844 -1.340 -0.854
504 H LEU 67 H LEU 67 -5.087 1.008 -2.264
505 HA LEU 67 HA LEU 67 -3.844 3.458 -3.221
506 HB2 LEU 67 1HB LEU 67 -2.810 1.954 -1.057
507 HB3 LEU 67 2HB LEU 67 -1.785 1.623 -2.438
508 HG LEU 67 HG LEU 67 -2.489 4.448 -1.640
509 HD11 LEU 67 1HD1 LEU 67 0.103 3.966 -0.732
510 HD12 LEU 67 2HD1 LEU 67 -1.356 4.211 0.257
511 HD13 LEU 67 3HD1 LEU 67 -0.839 2.563 -0.174
512 HD21 LEU 67 1HD2 LEU 67 -1.526 4.654 -3.688
513 HD22 LEU 67 2HD2 LEU 67 -0.048 4.622 -2.697
514 HD23 LEU 67 3HD2 LEU 67 -0.591 3.147 -3.531
515 H ALA 68 H ALA 68 -2.549 3.124 -5.150
516 HA ALA 68 HA ALA 68 -3.636 1.043 -6.766
517 HB1 ALA 68 1HB ALA 68 -1.567 2.182 -8.197
518 HB2 ALA 68 2HB ALA 68 -3.238 2.793 -8.148
519 HB3 ALA 68 3HB ALA 68 -2.005 3.485 -7.067
520 H ALA 69 H ALA 69 -2.913 -1.018 -6.895
521 HA ALA 69 HA ALA 69 -0.713 -1.920 -5.461
522 HB1 ALA 69 1HB ALA 69 -2.347 -3.062 -7.749
523 HB2 ALA 69 2HB ALA 69 -1.047 -3.981 -6.954
524 HB3 ALA 69 3HB ALA 69 -2.459 -3.442 -6.014
525 H GLY 70 H GLY 70 -0.961 -0.318 -8.562
526 HA2 GLY 70 1HA GLY 70 1.752 -1.188 -9.308
527 HA3 GLY 70 2HA GLY 70 0.561 -0.452 -10.363
528 H ALA 71 H ALA 71 1.303 0.661 -7.027
529 HA ALA 71 HA ALA 71 2.922 2.832 -8.043
530 HB1 ALA 71 1HB ALA 71 1.220 4.330 -6.574
531 HB2 ALA 71 2HB ALA 71 1.025 4.088 -8.326
532 HB3 ALA 71 3HB ALA 71 0.076 3.110 -7.182
533 H LEU 72 H LEU 72 3.035 0.363 -6.243
534 HA LEU 72 HA LEU 72 3.978 1.805 -3.867
535 HB2 LEU 72 1HB LEU 72 2.515 -0.838 -3.929
536 HB3 LEU 72 2HB LEU 72 3.278 -0.137 -2.516
537 HG LEU 72 HG LEU 72 1.161 1.402 -3.999
538 HD11 LEU 72 1HD1 LEU 72 0.603 -1.123 -3.176
539 HD12 LEU 72 2HD1 LEU 72 0.235 -0.201 -1.698
540 HD13 LEU 72 3HD1 LEU 72 -0.580 0.206 -3.228
541 HD21 LEU 72 1HD2 LEU 72 0.766 2.009 -1.447
542 HD22 LEU 72 2HD2 LEU 72 2.466 1.497 -1.317
543 HD23 LEU 72 3HD2 LEU 72 2.015 2.814 -2.427
544 H ARG 73 H ARG 73 5.922 1.014 -2.936
545 HA ARG 73 HA ARG 73 7.175 -1.119 -4.446
546 HB2 ARG 73 1HB ARG 73 9.327 0.179 -4.473
547 HB3 ARG 73 2HB ARG 73 8.067 0.963 -5.405
548 HG2 ARG 73 1HG ARG 73 8.349 2.831 -4.155
549 HG3 ARG 73 2HG ARG 73 7.760 1.954 -2.757
550 HD2 ARG 73 1HD ARG 73 9.913 1.489 -1.955
551 HD3 ARG 73 2HD ARG 73 10.635 1.517 -3.551
552 HE ARG 73 HE ARG 73 9.639 4.139 -2.937
553 HH11 ARG 73 2HH2 ARG 73 12.217 1.926 -2.021
554 HH12 ARG 73 1HH2 ARG 73 13.308 3.188 -1.554
555 HH21 ARG 73 2HH1 ARG 73 11.077 5.804 -2.321
556 HH22 ARG 73 1HH1 ARG 73 12.655 5.409 -1.726
557 H GLU 74 H GLU 74 9.388 -1.731 -3.224
558 HA GLU 74 HA GLU 74 8.612 -2.028 -0.465
559 HB2 GLU 74 1HB GLU 74 9.538 -3.875 -2.134
560 HB3 GLU 74 2HB GLU 74 11.104 -3.246 -1.665
561 HG2 GLU 74 1HG GLU 74 9.921 -3.477 0.804
562 HG3 GLU 74 2HG GLU 74 9.110 -4.777 -0.046
563 H ARG 75 H ARG 75 9.253 -0.472 0.962
564 HA ARG 75 HA ARG 75 10.973 1.508 0.480
565 HB2 ARG 75 1HB ARG 75 9.459 1.220 2.504
566 HB3 ARG 75 2HB ARG 75 10.647 0.132 3.194
567 HG2 ARG 75 1HG ARG 75 12.362 1.964 3.103
568 HG3 ARG 75 2HG ARG 75 11.156 3.050 2.442
569 HD2 ARG 75 1HD ARG 75 9.766 2.779 4.499
570 HD3 ARG 75 2HD ARG 75 10.942 1.659 5.158
571 HE ARG 75 HE ARG 75 12.106 4.238 4.390
572 HH11 ARG 75 2HH2 ARG 75 10.503 2.446 6.959
573 HH12 ARG 75 1HH2 ARG 75 11.117 3.459 8.223
574 HH21 ARG 75 2HH1 ARG 75 12.916 5.575 6.057
575 HH22 ARG 75 1HH1 ARG 75 12.499 5.251 7.706
576 H SER 76 H SER 76 13.203 1.778 0.354
577 HA SER 76 HA SER 76 14.763 -0.612 0.866
578 HB2 SER 76 1HB SER 76 15.009 1.745 -0.960
579 HB3 SER 76 2HB SER 76 16.516 1.100 -0.340
580 HG SER 76 HG SER 76 15.496 -1.086 -1.046
581 H GLY 77 H GLY 77 14.823 2.985 1.396
582 HA2 GLY 77 1HA GLY 77 15.828 2.650 4.065
583 HA3 GLY 77 2HA GLY 77 17.047 3.241 2.953
584 HA PRO 78 HA PRO 78 14.724 6.880 4.311
585 HB2 PRO 78 1HB PRO 78 16.861 8.398 5.081
586 HB3 PRO 78 2HB PRO 78 15.951 7.392 6.190
587 HG2 PRO 78 1HG PRO 78 18.629 6.920 5.032
588 HG3 PRO 78 2HG PRO 78 17.893 6.172 6.435
589 HD2 PRO 78 1HD PRO 78 18.199 5.008 3.831
590 HD3 PRO 78 2HD PRO 78 17.361 4.306 5.201
591 H SER 79 H SER 79 13.897 7.456 2.353
592 HA SER 79 HA SER 79 13.804 8.528 0.470
593 HB2 SER 79 1HB SER 79 15.596 10.136 2.112
594 HB3 SER 79 2HB SER 79 16.038 10.293 0.424
595 HG SER 79 HG SER 79 14.114 11.230 -0.058
596 H SER 80 H SER 80 14.799 8.728 -1.732
597 HA SER 80 HA SER 80 17.211 7.101 -1.927
598 HB2 SER 80 1HB SER 80 14.822 6.138 -2.678
599 HB3 SER 80 2HB SER 80 15.157 7.059 -4.131
600 HG SER 80 HG SER 80 16.520 4.786 -3.069
601 H GLY 81 H GLY 81 15.012 9.289 -3.843
602 HA2 GLY 81 1HA GLY 81 17.094 11.170 -4.349
603 HA3 GLY 81 2HA GLY 81 16.822 10.137 -5.739
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -12.361 -24.412 15.494
2 HA2 GLY 1 1HA GLY 1 -10.497 -25.390 14.178
3 HA3 GLY 1 2HA GLY 1 -10.144 -25.225 15.886
4 H SER 2 H SER 2 -10.003 -27.344 13.294
5 HA SER 2 HA SER 2 -9.677 -29.550 15.126
6 HB2 SER 2 1HB SER 2 -10.958 -31.090 13.638
7 HB3 SER 2 2HB SER 2 -11.974 -29.853 14.350
8 HG SER 2 HG SER 2 -11.575 -30.399 11.718
9 H SER 3 H SER 3 -8.681 -31.519 13.795
10 HA SER 3 HA SER 3 -6.321 -30.668 12.741
11 HB2 SER 3 1HB SER 3 -7.487 -33.111 13.381
12 HB3 SER 3 2HB SER 3 -7.268 -33.254 11.648
13 HG SER 3 HG SER 3 -5.072 -32.203 13.109
14 H GLY 4 H GLY 4 -5.808 -29.673 10.827
15 HA2 GLY 4 1HA GLY 4 -7.769 -29.817 8.639
16 HA3 GLY 4 2HA GLY 4 -6.544 -28.586 8.874
17 H SER 5 H SER 5 -5.192 -28.703 7.118
18 HA SER 5 HA SER 5 -3.900 -31.264 6.719
19 HB2 SER 5 1HB SER 5 -4.165 -31.199 4.315
20 HB3 SER 5 2HB SER 5 -5.757 -31.039 5.029
21 HG SER 5 HG SER 5 -4.728 -28.540 4.765
22 H SER 6 H SER 6 -1.699 -30.964 6.743
23 HA SER 6 HA SER 6 -0.758 -28.257 6.593
24 HB2 SER 6 1HB SER 6 -0.047 -30.183 8.267
25 HB3 SER 6 2HB SER 6 1.025 -30.672 6.970
26 HG SER 6 HG SER 6 1.955 -29.140 8.570
27 H GLY 7 H GLY 7 1.120 -27.659 5.190
28 HA2 GLY 7 1HA GLY 7 2.314 -29.134 3.251
29 HA3 GLY 7 2HA GLY 7 0.776 -28.706 2.529
30 H ARG 8 H ARG 8 3.966 -27.742 2.834
31 HA ARG 8 HA ARG 8 3.719 -25.019 3.258
32 HB2 ARG 8 1HB ARG 8 5.838 -26.591 3.157
33 HB3 ARG 8 2HB ARG 8 5.832 -26.239 1.440
34 HG2 ARG 8 1HG ARG 8 6.382 -23.991 1.746
35 HG3 ARG 8 2HG ARG 8 5.592 -23.894 3.307
36 HD2 ARG 8 1HD ARG 8 8.086 -25.596 2.938
37 HD3 ARG 8 2HD ARG 8 8.215 -23.873 3.230
38 HE ARG 8 HE ARG 8 6.487 -24.699 5.223
39 HH11 ARG 8 2HH2 ARG 8 9.672 -25.775 4.183
40 HH12 ARG 8 1HH2 ARG 8 10.146 -26.312 5.760
41 HH21 ARG 8 2HH1 ARG 8 7.112 -25.408 7.304
42 HH22 ARG 8 1HH1 ARG 8 8.680 -26.102 7.547
43 H MET 9 H MET 9 3.513 -23.237 1.795
44 HA MET 9 HA MET 9 3.114 -23.937 -0.991
45 HB2 MET 9 1HB MET 9 1.142 -22.614 0.909
46 HB3 MET 9 2HB MET 9 1.118 -22.148 -0.780
47 HG2 MET 9 1HG MET 9 0.820 -24.548 -1.438
48 HG3 MET 9 2HG MET 9 0.846 -25.015 0.251
49 HE1 MET 9 1HE MET 9 -1.323 -21.694 -1.289
50 HE2 MET 9 2HE MET 9 -0.538 -22.863 -2.378
51 HE3 MET 9 3HE MET 9 -2.305 -22.894 -2.164
52 HA PRO 10 HA PRO 10 5.266 -20.216 -1.593
53 HB2 PRO 10 1HB PRO 10 4.570 -19.574 -4.156
54 HB3 PRO 10 2HB PRO 10 5.786 -20.773 -3.765
55 HG2 PRO 10 1HG PRO 10 3.019 -21.183 -4.722
56 HG3 PRO 10 2HG PRO 10 4.363 -22.309 -4.733
57 HD2 PRO 10 1HD PRO 10 2.147 -22.300 -2.912
58 HD3 PRO 10 2HD PRO 10 3.548 -23.351 -2.853
59 H THR 11 H THR 11 5.234 -17.974 -1.422
60 HA THR 11 HA THR 11 2.473 -16.954 -1.272
61 HB THR 11 HB THR 11 4.962 -16.418 0.421
62 HG1 THR 11 1HG THR 11 3.258 -17.107 2.017
63 HG21 THR 11 1HG2 THR 11 3.874 -14.240 0.168
64 HG22 THR 11 2HG2 THR 11 2.262 -14.978 0.330
65 HG23 THR 11 3HG2 THR 11 3.357 -14.915 1.732
66 H ARG 12 H ARG 12 2.269 -14.575 -1.664
67 HA ARG 12 HA ARG 12 4.381 -13.461 -3.225
68 HB2 ARG 12 1HB ARG 12 1.929 -14.622 -4.456
69 HB3 ARG 12 2HB ARG 12 2.266 -12.981 -4.970
70 HG2 ARG 12 1HG ARG 12 4.292 -13.558 -5.991
71 HG3 ARG 12 2HG ARG 12 4.575 -14.915 -4.919
72 HD2 ARG 12 1HD ARG 12 3.139 -16.352 -6.125
73 HD3 ARG 12 2HD ARG 12 2.208 -15.030 -6.801
74 HE ARG 12 HE ARG 12 5.004 -15.007 -7.666
75 HH11 ARG 12 2HH2 ARG 12 1.808 -16.329 -8.317
76 HH12 ARG 12 1HH2 ARG 12 2.143 -16.655 -9.985
77 HH21 ARG 12 2HH1 ARG 12 5.446 -15.437 -9.867
78 HH22 ARG 12 1HH1 ARG 12 4.226 -16.144 -10.872
79 H ARG 13 H ARG 13 3.469 -11.176 -4.160
80 HA ARG 13 HA ARG 13 2.748 -9.199 -3.673
81 HB2 ARG 13 1HB ARG 13 0.445 -10.710 -2.342
82 HB3 ARG 13 2HB ARG 13 0.436 -8.978 -2.607
83 HG2 ARG 13 1HG ARG 13 0.783 -11.039 -4.835
84 HG3 ARG 13 2HG ARG 13 -0.753 -10.311 -4.409
85 HD2 ARG 13 1HD ARG 13 -0.264 -8.389 -5.536
86 HD3 ARG 13 2HD ARG 13 1.309 -8.253 -4.777
87 HE ARG 13 HE ARG 13 1.195 -10.355 -6.815
88 HH11 ARG 13 2HH2 ARG 13 1.744 -6.927 -6.240
89 HH12 ARG 13 1HH2 ARG 13 2.679 -6.705 -7.680
90 HH21 ARG 13 2HH1 ARG 13 2.430 -10.062 -8.715
91 HH22 ARG 13 1HH1 ARG 13 3.072 -8.500 -9.098
92 H TRP 14 H TRP 14 2.047 -7.642 -1.719
93 HA TRP 14 HA TRP 14 3.845 -8.291 0.442
94 HB2 TRP 14 1HB TRP 14 2.217 -5.823 -0.184
95 HB3 TRP 14 2HB TRP 14 3.303 -5.977 1.183
96 HD1 TRP 14 HD TRP 14 5.951 -7.010 0.052
97 HE1 TRP 14 1HE TRP 14 7.411 -5.805 -1.786
98 HE3 TRP 14 3HE TRP 14 2.158 -4.238 -1.893
99 HZ2 TRP 14 2HZ TRP 14 6.830 -3.871 -3.802
100 HZ3 TRP 14 3HZ TRP 14 2.690 -2.716 -3.795
101 HH2 TRP 14 HH TRP 14 4.931 -2.507 -4.748
102 H ALA 15 H ALA 15 3.216 -8.703 2.593
103 HA ALA 15 HA ALA 15 0.442 -9.507 2.880
104 HB1 ALA 15 1HB ALA 15 1.474 -11.166 3.992
105 HB2 ALA 15 2HB ALA 15 3.030 -10.305 3.928
106 HB3 ALA 15 3HB ALA 15 1.891 -9.985 5.258
107 HA PRO 16 HA PRO 16 -0.651 -6.219 5.473
108 HB2 PRO 16 1HB PRO 16 -2.130 -7.349 7.474
109 HB3 PRO 16 2HB PRO 16 -2.761 -7.052 5.867
110 HG2 PRO 16 1HG PRO 16 -1.934 -9.614 7.089
111 HG3 PRO 16 2HG PRO 16 -2.943 -9.344 5.681
112 HD2 PRO 16 1HD PRO 16 -0.194 -10.164 5.691
113 HD3 PRO 16 2HD PRO 16 -1.169 -9.782 4.286
114 H GLY 17 H GLY 17 0.764 -4.942 6.471
115 HA2 GLY 17 1HA GLY 17 1.450 -4.488 8.807
116 HA3 GLY 17 2HA GLY 17 2.029 -6.141 8.864
117 H THR 18 H THR 18 2.558 -5.265 5.703
118 HA THR 18 HA THR 18 5.346 -4.627 6.283
119 HB THR 18 HB THR 18 3.793 -5.606 3.839
120 HG1 THR 18 1HG THR 18 4.424 -7.080 5.616
121 HG21 THR 18 1HG2 THR 18 6.242 -4.110 3.822
122 HG22 THR 18 2HG2 THR 18 6.686 -5.822 3.623
123 HG23 THR 18 3HG2 THR 18 5.549 -5.060 2.485
124 H GLN 19 H GLN 19 6.402 -2.773 5.668
125 HA GLN 19 HA GLN 19 4.627 -0.581 5.140
126 HB2 GLN 19 1HB GLN 19 7.589 -0.772 5.809
127 HB3 GLN 19 2HB GLN 19 6.823 0.752 5.405
128 HG2 GLN 19 1HG GLN 19 5.110 0.261 7.257
129 HG3 GLN 19 2HG GLN 19 6.117 -1.092 7.730
130 HE21 GLN 19 1HE2 GLN 19 5.350 1.681 8.831
131 HE22 GLN 19 2HE2 GLN 19 6.844 2.355 9.394
132 H CYS 20 H CYS 20 4.212 0.193 3.118
133 HA CYS 20 HA CYS 20 6.103 -0.579 1.022
134 HB2 CYS 20 1HB CYS 20 3.164 0.143 0.773
135 HB3 CYS 20 2HB CYS 20 4.225 -0.285 -0.555
136 HG CYS 20 HG CYS 20 4.944 -2.486 1.311
137 H ILE 21 H ILE 21 6.368 1.120 -0.750
138 HA ILE 21 HA ILE 21 6.032 3.820 0.354
139 HB ILE 21 HB ILE 21 8.395 2.975 -1.302
140 HG12 ILE 21 1HG1 ILE 21 8.526 1.537 0.599
141 HG13 ILE 21 2HG1 ILE 21 9.674 2.840 0.836
142 HG21 ILE 21 1HG2 ILE 21 9.403 4.991 -0.467
143 HG22 ILE 21 2HG2 ILE 21 7.805 5.386 -1.144
144 HG23 ILE 21 3HG2 ILE 21 8.024 5.286 0.619
145 HD11 ILE 21 1HD1 ILE 21 7.405 2.090 2.489
146 HD12 ILE 21 2HD1 ILE 21 8.691 3.273 2.828
147 HD13 ILE 21 3HD1 ILE 21 7.228 3.777 1.948
148 H THR 22 H THR 22 5.846 5.530 -1.299
149 HA THR 22 HA THR 22 4.406 4.490 -3.613
150 HB THR 22 HB THR 22 3.748 6.969 -3.756
151 HG1 THR 22 1HG THR 22 4.490 8.201 -1.895
152 HG21 THR 22 1HG2 THR 22 2.078 5.850 -2.535
153 HG22 THR 22 2HG2 THR 22 3.236 5.232 -1.332
154 HG23 THR 22 3HG2 THR 22 2.715 6.933 -1.274
155 H LYS 23 H LYS 23 4.874 5.024 -5.766
156 HA LYS 23 HA LYS 23 7.699 5.527 -6.168
157 HB2 LYS 23 1HB LYS 23 5.466 4.607 -7.995
158 HB3 LYS 23 2HB LYS 23 7.089 4.947 -8.561
159 HG2 LYS 23 1HG LYS 23 7.882 3.321 -6.669
160 HG3 LYS 23 2HG LYS 23 6.207 2.812 -6.582
161 HD2 LYS 23 1HD LYS 23 7.744 2.853 -9.214
162 HD3 LYS 23 2HD LYS 23 7.769 1.462 -8.148
163 HE2 LYS 23 1HE LYS 23 5.652 0.824 -8.737
164 HE3 LYS 23 2HE LYS 23 5.027 2.456 -8.615
165 HZ1 LYS 23 1HZ LYS 23 5.366 2.803 -10.776
166 HZ2 LYS 23 2HZ LYS 23 6.792 2.009 -10.830
167 HZ3 LYS 23 3HZ LYS 23 5.389 1.175 -10.901
168 H CYS 24 H CYS 24 4.571 7.138 -6.397
169 HA CYS 24 HA CYS 24 5.997 9.515 -7.292
170 HB2 CYS 24 1HB CYS 24 3.422 8.502 -8.539
171 HB3 CYS 24 2HB CYS 24 4.081 10.106 -8.790
172 HG CYS 24 HG CYS 24 4.746 7.320 -10.108
173 H GLU 25 H GLU 25 4.242 11.465 -7.045
174 HA GLU 25 HA GLU 25 3.110 11.034 -4.403
175 HB2 GLU 25 1HB GLU 25 3.186 13.516 -4.199
176 HB3 GLU 25 2HB GLU 25 4.766 12.831 -4.521
177 HG2 GLU 25 1HG GLU 25 3.463 13.374 -7.054
178 HG3 GLU 25 2HG GLU 25 3.352 14.808 -6.052
179 H HIS 26 H HIS 26 0.930 11.652 -3.924
180 HA HIS 26 HA HIS 26 -0.661 12.376 -6.266
181 HB2 HIS 26 1HB HIS 26 -0.637 9.838 -5.379
182 HB3 HIS 26 2HB HIS 26 -1.849 10.486 -4.291
183 HD1 HIS 26 1HD HIS 26 -1.416 11.486 -7.952
184 HD2 HIS 26 2HD HIS 26 -4.115 9.445 -5.473
185 HE1 HIS 26 1HE HIS 26 -3.475 11.004 -9.381
186 H THR 27 H THR 27 -1.304 14.427 -5.789
187 HA THR 27 HA THR 27 -1.934 15.063 -3.010
188 HB THR 27 HB THR 27 -1.923 17.410 -3.938
189 HG1 THR 27 1HG THR 27 -2.215 17.435 -6.129
190 HG21 THR 27 1HG2 THR 27 0.346 17.396 -3.691
191 HG22 THR 27 2HG2 THR 27 0.340 15.621 -3.835
192 HG23 THR 27 3HG2 THR 27 0.513 16.632 -5.290
193 H ARG 28 H ARG 28 -3.468 14.445 -6.134
194 HA ARG 28 HA ARG 28 -5.995 14.925 -4.776
195 HB2 ARG 28 1HB ARG 28 -5.107 15.771 -7.552
196 HB3 ARG 28 2HB ARG 28 -6.803 15.432 -7.269
197 HG2 ARG 28 1HG ARG 28 -5.261 17.299 -5.429
198 HG3 ARG 28 2HG ARG 28 -5.949 17.885 -6.931
199 HD2 ARG 28 1HD ARG 28 -8.207 17.226 -6.232
200 HD3 ARG 28 2HD ARG 28 -7.583 16.408 -4.814
201 HE ARG 28 HE ARG 28 -6.696 19.133 -4.759
202 HH11 ARG 28 2HH2 ARG 28 -9.638 17.236 -4.395
203 HH12 ARG 28 1HH2 ARG 28 -10.405 18.389 -3.355
204 HH21 ARG 28 2HH1 ARG 28 -7.708 20.654 -3.386
205 HH22 ARG 28 1HH1 ARG 28 -9.300 20.346 -2.777
206 HA PRO 29 HA PRO 29 -6.004 10.688 -6.258
207 HB2 PRO 29 1HB PRO 29 -7.426 9.626 -4.180
208 HB3 PRO 29 2HB PRO 29 -5.677 9.722 -4.193
209 HG2 PRO 29 1HG PRO 29 -7.611 11.377 -2.691
210 HG3 PRO 29 2HG PRO 29 -5.894 11.166 -2.409
211 HD2 PRO 29 1HD PRO 29 -7.168 13.431 -3.624
212 HD3 PRO 29 2HD PRO 29 -5.444 13.168 -3.446
213 H LYS 30 H LYS 30 -7.810 9.025 -6.663
214 HA LYS 30 HA LYS 30 -9.778 10.458 -8.103
215 HB2 LYS 30 1HB LYS 30 -8.788 7.763 -7.912
216 HB3 LYS 30 2HB LYS 30 -10.537 7.736 -7.810
217 HG2 LYS 30 1HG LYS 30 -10.320 9.505 -9.837
218 HG3 LYS 30 2HG LYS 30 -8.778 8.703 -10.059
219 HD2 LYS 30 1HD LYS 30 -11.004 6.803 -9.609
220 HD3 LYS 30 2HD LYS 30 -11.243 7.802 -11.028
221 HE2 LYS 30 1HE LYS 30 -9.404 6.915 -12.146
222 HE3 LYS 30 2HE LYS 30 -8.497 6.642 -10.673
223 HZ1 LYS 30 1HZ LYS 30 -10.233 4.886 -10.206
224 HZ2 LYS 30 2HZ LYS 30 -10.655 5.012 -11.779
225 HZ3 LYS 30 3HZ LYS 30 -9.140 4.555 -11.374
226 HA PRO 31 HA PRO 31 -13.050 10.564 -5.278
227 HB2 PRO 31 1HB PRO 31 -15.258 9.662 -6.613
228 HB3 PRO 31 2HB PRO 31 -14.592 11.267 -6.837
229 HG2 PRO 31 1HG PRO 31 -14.415 8.922 -8.628
230 HG3 PRO 31 2HG PRO 31 -14.141 10.612 -9.002
231 HD2 PRO 31 1HD PRO 31 -12.140 8.595 -8.611
232 HD3 PRO 31 2HD PRO 31 -11.866 10.306 -8.870
233 H GLY 32 H GLY 32 -12.325 9.260 -3.603
234 HA2 GLY 32 1HA GLY 32 -13.520 7.613 -2.226
235 HA3 GLY 32 2HA GLY 32 -13.607 6.592 -3.647
236 H GLU 33 H GLU 33 -10.672 8.334 -3.711
237 HA GLU 33 HA GLU 33 -9.322 6.017 -2.569
238 HB2 GLU 33 1HB GLU 33 -8.602 7.901 -4.832
239 HB3 GLU 33 2HB GLU 33 -7.352 6.979 -4.021
240 HG2 GLU 33 1HG GLU 33 -8.376 4.870 -4.626
241 HG3 GLU 33 2HG GLU 33 -9.860 5.653 -5.134
242 H LEU 34 H LEU 34 -6.918 6.702 -1.839
243 HA LEU 34 HA LEU 34 -7.301 9.035 -0.103
244 HB2 LEU 34 1HB LEU 34 -6.989 7.332 1.356
245 HB3 LEU 34 2HB LEU 34 -6.039 6.376 0.235
246 HG LEU 34 HG LEU 34 -4.216 8.229 0.623
247 HD11 LEU 34 1HD1 LEU 34 -5.219 8.447 3.385
248 HD12 LEU 34 2HD1 LEU 34 -4.407 9.647 2.352
249 HD13 LEU 34 3HD1 LEU 34 -6.153 9.354 2.171
250 HD21 LEU 34 1HD2 LEU 34 -3.321 6.923 2.526
251 HD22 LEU 34 2HD2 LEU 34 -4.887 6.087 2.658
252 HD23 LEU 34 3HD2 LEU 34 -3.901 5.902 1.188
253 H ALA 35 H ALA 35 -5.359 10.390 0.317
254 HA ALA 35 HA ALA 35 -3.788 10.590 -2.149
255 HB1 ALA 35 1HB ALA 35 -3.893 12.859 -1.902
256 HB2 ALA 35 2HB ALA 35 -5.335 12.464 -0.936
257 HB3 ALA 35 3HB ALA 35 -3.780 12.778 -0.128
258 H PHE 36 H PHE 36 -1.471 11.110 -1.950
259 HA PHE 36 HA PHE 36 -0.207 10.880 0.576
260 HB2 PHE 36 1HB PHE 36 1.025 8.708 -0.258
261 HB3 PHE 36 2HB PHE 36 -0.599 8.508 0.368
262 HD1 PHE 36 2HD PHE 36 1.426 8.630 -2.702
263 HD2 PHE 36 1HD PHE 36 -2.397 7.814 -1.052
264 HE1 PHE 36 2HE PHE 36 0.729 7.545 -4.855
265 HE2 PHE 36 1HE PHE 36 -3.094 6.729 -3.205
266 HZ PHE 36 HZ PHE 36 -1.523 6.607 -5.081
267 H ARG 37 H ARG 37 2.138 11.184 0.415
268 HA ARG 37 HA ARG 37 2.753 12.578 -2.021
269 HB2 ARG 37 1HB ARG 37 3.898 12.469 0.770
270 HB3 ARG 37 2HB ARG 37 4.979 12.950 -0.523
271 HG2 ARG 37 1HG ARG 37 3.711 14.854 0.647
272 HG3 ARG 37 2HG ARG 37 3.636 14.848 -1.104
273 HD2 ARG 37 1HD ARG 37 1.389 14.124 -1.149
274 HD3 ARG 37 2HD ARG 37 1.485 13.377 0.433
275 HE ARG 37 HE ARG 37 0.850 16.161 -0.131
276 HH11 ARG 37 2HH2 ARG 37 2.255 14.009 2.273
277 HH12 ARG 37 1HH2 ARG 37 1.917 15.066 3.603
278 HH21 ARG 37 2HH1 ARG 37 0.404 17.556 1.624
279 HH22 ARG 37 1HH1 ARG 37 0.857 17.096 3.231
280 H LYS 38 H LYS 38 5.336 12.339 -2.586
281 HA LYS 38 HA LYS 38 5.619 9.560 -3.289
282 HB2 LYS 38 1HB LYS 38 6.010 11.326 -4.947
283 HB3 LYS 38 2HB LYS 38 7.298 11.994 -3.964
284 HG2 LYS 38 1HG LYS 38 8.158 9.407 -4.105
285 HG3 LYS 38 2HG LYS 38 7.269 9.488 -5.613
286 HD2 LYS 38 1HD LYS 38 8.968 11.870 -5.147
287 HD3 LYS 38 2HD LYS 38 9.887 10.379 -5.217
288 HE2 LYS 38 1HE LYS 38 8.407 9.886 -7.369
289 HE3 LYS 38 2HE LYS 38 8.126 11.616 -7.352
290 HZ1 LYS 38 1HZ LYS 38 10.671 10.211 -7.635
291 HZ2 LYS 38 2HZ LYS 38 10.016 11.341 -8.615
292 HZ3 LYS 38 3HZ LYS 38 10.632 11.774 -7.166
293 H GLY 39 H GLY 39 6.713 8.081 -2.118
294 HA2 GLY 39 1HA GLY 39 8.466 7.255 -0.896
295 HA3 GLY 39 2HA GLY 39 9.077 8.877 -0.636
296 H ASP 40 H ASP 40 5.794 7.467 0.008
297 HA ASP 40 HA ASP 40 6.120 8.416 2.735
298 HB2 ASP 40 1HB ASP 40 3.989 8.566 0.832
299 HB3 ASP 40 2HB ASP 40 3.439 7.473 2.086
300 H VAL 41 H VAL 41 5.614 6.938 4.507
301 HA VAL 41 HA VAL 41 5.798 4.137 3.722
302 HB VAL 41 HB VAL 41 6.243 5.643 6.299
303 HG11 VAL 41 1HG1 VAL 41 7.090 2.895 6.458
304 HG12 VAL 41 2HG1 VAL 41 5.963 3.790 7.507
305 HG13 VAL 41 3HG1 VAL 41 5.358 2.961 6.053
306 HG21 VAL 41 1HG2 VAL 41 8.483 4.118 5.712
307 HG22 VAL 41 2HG2 VAL 41 7.936 4.676 4.113
308 HG23 VAL 41 3HG2 VAL 41 8.284 5.859 5.398
309 H VAL 42 H VAL 42 4.110 2.731 3.892
310 HA VAL 42 HA VAL 42 1.857 3.540 5.567
311 HB VAL 42 HB VAL 42 0.314 2.844 3.750
312 HG11 VAL 42 1HG1 VAL 42 1.882 5.082 2.559
313 HG12 VAL 42 2HG1 VAL 42 0.149 4.974 2.953
314 HG13 VAL 42 3HG1 VAL 42 1.338 5.277 4.243
315 HG21 VAL 42 1HG2 VAL 42 2.905 2.526 2.279
316 HG22 VAL 42 2HG2 VAL 42 1.427 1.535 2.223
317 HG23 VAL 42 3HG2 VAL 42 1.479 3.104 1.383
318 H THR 43 H THR 43 0.842 1.817 6.604
319 HA THR 43 HA THR 43 2.255 -0.723 6.359
320 HB THR 43 HB THR 43 0.327 0.492 8.402
321 HG1 THR 43 1HG THR 43 2.656 1.155 8.206
322 HG21 THR 43 1HG2 THR 43 1.601 -2.269 8.198
323 HG22 THR 43 2HG2 THR 43 1.269 -1.531 9.784
324 HG23 THR 43 3HG2 THR 43 -0.069 -1.856 8.656
325 H ILE 44 H ILE 44 1.476 -2.478 5.362
326 HA ILE 44 HA ILE 44 -0.917 -2.268 3.891
327 HB ILE 44 HB ILE 44 0.921 -4.579 4.510
328 HG12 ILE 44 1HG1 ILE 44 1.808 -2.627 3.183
329 HG13 ILE 44 2HG1 ILE 44 1.891 -4.187 2.389
330 HG21 ILE 44 1HG2 ILE 44 -0.737 -4.902 2.147
331 HG22 ILE 44 2HG2 ILE 44 -0.437 -6.020 3.499
332 HG23 ILE 44 3HG2 ILE 44 -1.714 -4.787 3.631
333 HD11 ILE 44 1HD1 ILE 44 -0.601 -2.575 1.932
334 HD12 ILE 44 2HD1 ILE 44 0.896 -2.003 1.159
335 HD13 ILE 44 3HD1 ILE 44 0.285 -3.638 0.812
336 H LEU 45 H LEU 45 -2.898 -2.189 4.810
337 HA LEU 45 HA LEU 45 -3.337 -3.481 7.340
338 HB2 LEU 45 1HB LEU 45 -5.371 -2.111 5.591
339 HB3 LEU 45 2HB LEU 45 -5.450 -2.406 7.317
340 HG LEU 45 HG LEU 45 -3.291 -0.653 6.154
341 HD11 LEU 45 1HD1 LEU 45 -4.958 0.623 5.311
342 HD12 LEU 45 2HD1 LEU 45 -6.187 -0.049 6.410
343 HD13 LEU 45 3HD1 LEU 45 -5.052 1.191 6.995
344 HD21 LEU 45 1HD2 LEU 45 -4.629 -0.365 8.834
345 HD22 LEU 45 2HD2 LEU 45 -3.337 -1.562 8.577
346 HD23 LEU 45 3HD2 LEU 45 -3.014 0.168 8.309
347 H GLU 46 H GLU 46 -4.887 -3.696 4.055
348 HA GLU 46 HA GLU 46 -5.096 -6.548 4.525
349 HB2 GLU 46 1HB GLU 46 -7.296 -4.873 4.856
350 HB3 GLU 46 2HB GLU 46 -7.484 -5.412 3.199
351 HG2 GLU 46 1HG GLU 46 -7.910 -7.591 3.807
352 HG3 GLU 46 2HG GLU 46 -6.726 -7.574 5.098
353 H ALA 47 H ALA 47 -4.347 -7.663 2.769
354 HA ALA 47 HA ALA 47 -3.997 -6.138 0.302
355 HB1 ALA 47 1HB ALA 47 -2.657 -8.438 -0.125
356 HB2 ALA 47 2HB ALA 47 -1.947 -7.064 0.757
357 HB3 ALA 47 3HB ALA 47 -2.643 -8.434 1.655
358 H CYS 48 H CYS 48 -4.688 -7.001 -1.747
359 HA CYS 48 HA CYS 48 -5.857 -8.317 -3.116
360 HB2 CYS 48 1HB CYS 48 -7.011 -9.916 -0.825
361 HB3 CYS 48 2HB CYS 48 -6.859 -10.376 -2.509
362 HG CYS 48 HG CYS 48 -5.153 -11.489 -0.542
363 H GLU 49 H GLU 49 -8.601 -9.266 -2.632
364 HA GLU 49 HA GLU 49 -10.654 -8.573 -2.396
365 HB2 GLU 49 1HB GLU 49 -9.298 -7.038 -0.347
366 HB3 GLU 49 2HB GLU 49 -10.540 -6.037 -1.074
367 HG2 GLU 49 1HG GLU 49 -11.853 -8.478 -0.803
368 HG3 GLU 49 2HG GLU 49 -10.820 -8.464 0.612
369 H ASN 50 H ASN 50 -8.710 -7.679 -4.540
370 HA ASN 50 HA ASN 50 -10.507 -6.050 -5.912
371 HB2 ASN 50 1HB ASN 50 -8.681 -4.610 -4.249
372 HB3 ASN 50 2HB ASN 50 -8.050 -4.450 -5.876
373 HD21 ASN 50 1HD2 ASN 50 -9.649 -2.770 -3.812
374 HD22 ASN 50 2HD2 ASN 50 -10.873 -1.989 -4.757
375 H LYS 51 H LYS 51 -7.076 -7.075 -5.398
376 HA LYS 51 HA LYS 51 -5.685 -8.188 -6.722
377 HB2 LYS 51 1HB LYS 51 -8.199 -8.726 -7.953
378 HB3 LYS 51 2HB LYS 51 -7.057 -8.376 -9.235
379 HG2 LYS 51 1HG LYS 51 -5.530 -10.095 -8.485
380 HG3 LYS 51 2HG LYS 51 -6.368 -10.277 -6.957
381 HD2 LYS 51 1HD LYS 51 -7.608 -10.910 -9.676
382 HD3 LYS 51 2HD LYS 51 -6.879 -12.109 -8.626
383 HE2 LYS 51 1HE LYS 51 -8.761 -12.249 -7.362
384 HE3 LYS 51 2HE LYS 51 -8.775 -10.517 -7.093
385 HZ1 LYS 51 1HZ LYS 51 -9.685 -10.425 -9.451
386 HZ2 LYS 51 2HZ LYS 51 -10.017 -12.014 -9.268
387 HZ3 LYS 51 3HZ LYS 51 -10.692 -10.918 -8.264
388 H SER 52 H SER 52 -6.424 -5.134 -6.703
389 HA SER 52 HA SER 52 -4.275 -4.410 -8.338
390 HB2 SER 52 1HB SER 52 -5.846 -2.794 -9.759
391 HB3 SER 52 2HB SER 52 -5.511 -4.427 -10.297
392 HG SER 52 HG SER 52 -7.799 -3.900 -10.367
393 H TRP 53 H TRP 53 -5.250 -4.151 -5.579
394 HA TRP 53 HA TRP 53 -4.810 -1.356 -5.261
395 HB2 TRP 53 1HB TRP 53 -7.573 -2.457 -4.766
396 HB3 TRP 53 2HB TRP 53 -6.968 -1.034 -3.941
397 HD1 TRP 53 HD TRP 53 -8.329 -2.139 -7.322
398 HE1 TRP 53 1HE TRP 53 -8.663 -0.100 -8.964
399 HE3 TRP 53 3HE TRP 53 -5.885 1.261 -4.437
400 HZ2 TRP 53 2HZ TRP 53 -7.884 2.644 -8.874
401 HZ3 TRP 53 3HZ TRP 53 -5.716 3.598 -5.288
402 HH2 TRP 53 HH TRP 53 -6.667 4.310 -7.424
403 H TYR 54 H TYR 54 -4.419 -0.871 -2.956
404 HA TYR 54 HA TYR 54 -4.366 -3.229 -1.228
405 HB2 TYR 54 1HB TYR 54 -2.129 -1.415 -2.239
406 HB3 TYR 54 2HB TYR 54 -1.989 -2.058 -0.615
407 HD1 TYR 54 2HD TYR 54 -1.968 -2.884 -4.197
408 HD2 TYR 54 1HD TYR 54 -1.606 -4.444 -0.230
409 HE1 TYR 54 2HE TYR 54 -0.998 -5.042 -5.127
410 HE2 TYR 54 1HE TYR 54 -0.638 -6.598 -1.173
411 HH TYR 54 HH TYR 54 -0.932 -7.791 -3.599
412 H ARG 55 H ARG 55 -5.172 -2.760 0.760
413 HA ARG 55 HA ARG 55 -5.697 -0.002 1.309
414 HB2 ARG 55 1HB ARG 55 -7.408 -1.811 1.717
415 HB3 ARG 55 2HB ARG 55 -6.360 -2.509 2.937
416 HG2 ARG 55 1HG ARG 55 -6.908 -0.924 4.500
417 HG3 ARG 55 2HG ARG 55 -6.832 0.388 3.341
418 HD2 ARG 55 1HD ARG 55 -9.099 -1.201 2.601
419 HD3 ARG 55 2HD ARG 55 -9.174 -1.021 4.343
420 HE ARG 55 HE ARG 55 -8.546 1.514 3.099
421 HH11 ARG 55 2HH2 ARG 55 -11.211 -0.709 3.682
422 HH12 ARG 55 1HH2 ARG 55 -12.424 0.525 3.610
423 HH21 ARG 55 2HH1 ARG 55 -10.146 3.142 3.004
424 HH22 ARG 55 1HH1 ARG 55 -11.814 2.730 3.221
425 H VAL 56 H VAL 56 -4.037 1.183 2.222
426 HA VAL 56 HA VAL 56 -2.536 -0.126 4.382
427 HB VAL 56 HB VAL 56 -0.566 1.052 3.684
428 HG11 VAL 56 1HG1 VAL 56 -1.843 -0.976 2.160
429 HG12 VAL 56 2HG1 VAL 56 -1.047 0.122 1.008
430 HG13 VAL 56 3HG1 VAL 56 -0.101 -0.640 2.309
431 HG21 VAL 56 1HG2 VAL 56 -0.495 2.418 1.633
432 HG22 VAL 56 2HG2 VAL 56 -2.256 2.231 1.452
433 HG23 VAL 56 3HG2 VAL 56 -1.594 3.109 2.851
434 H LYS 57 H LYS 57 -1.478 1.627 5.855
435 HA LYS 57 HA LYS 57 -3.485 3.739 6.232
436 HB2 LYS 57 1HB LYS 57 -3.563 2.066 8.000
437 HB3 LYS 57 2HB LYS 57 -1.841 2.228 8.283
438 HG2 LYS 57 1HG LYS 57 -2.792 4.876 8.434
439 HG3 LYS 57 2HG LYS 57 -4.052 3.938 9.211
440 HD2 LYS 57 1HD LYS 57 -2.325 2.850 10.674
441 HD3 LYS 57 2HD LYS 57 -1.080 3.817 9.910
442 HE2 LYS 57 1HE LYS 57 -1.550 5.121 11.798
443 HE3 LYS 57 2HE LYS 57 -2.601 5.870 10.612
444 HZ1 LYS 57 1HZ LYS 57 -3.309 4.529 12.957
445 HZ2 LYS 57 2HZ LYS 57 -4.268 5.367 11.934
446 HZ3 LYS 57 3HZ LYS 57 -4.008 3.773 11.690
447 H HIS 58 H HIS 58 -2.799 5.789 5.935
448 HA HIS 58 HA HIS 58 -0.083 6.247 5.291
449 HB2 HIS 58 1HB HIS 58 -2.341 7.421 4.539
450 HB3 HIS 58 2HB HIS 58 -1.992 8.474 5.896
451 HD2 HIS 58 2HD HIS 58 -0.829 7.883 2.256
452 HE1 HIS 58 1HE HIS 58 1.741 10.840 3.916
453 HE2 HIS 58 2HE HIS 58 1.021 9.570 1.780
454 H HIS 59 H HIS 59 1.601 6.804 6.594
455 HA HIS 59 HA HIS 59 1.262 6.756 9.368
456 HB2 HIS 59 1HB HIS 59 3.359 6.514 7.604
457 HB3 HIS 59 2HB HIS 59 3.698 8.063 8.349
458 HD1 HIS 59 1HD HIS 59 2.896 4.477 9.447
459 HD2 HIS 59 2HD HIS 59 4.982 7.872 10.759
460 HE1 HIS 59 1HE HIS 59 4.110 3.789 11.584
461 H THR 60 H THR 60 2.664 9.525 7.488
462 HA THR 60 HA THR 60 2.282 11.447 9.380
463 HB THR 60 HB THR 60 2.177 11.565 6.323
464 HG1 THR 60 1HG THR 60 4.175 12.224 8.366
465 HG21 THR 60 1HG2 THR 60 3.100 13.947 6.812
466 HG22 THR 60 2HG2 THR 60 1.346 13.722 7.014
467 HG23 THR 60 3HG2 THR 60 2.410 13.752 8.440
468 H SER 61 H SER 61 -0.005 10.906 6.609
469 HA SER 61 HA SER 61 -1.915 12.607 7.522
470 HB2 SER 61 1HB SER 61 -1.709 10.460 5.562
471 HB3 SER 61 2HB SER 61 -3.292 10.428 6.312
472 HG SER 61 HG SER 61 -2.825 11.902 4.334
473 H GLY 62 H GLY 62 -1.892 8.981 7.919
474 HA2 GLY 62 1HA GLY 62 -2.318 7.881 9.931
475 HA3 GLY 62 2HA GLY 62 -3.099 9.314 10.570
476 H GLN 63 H GLN 63 -4.012 8.741 7.295
477 HA GLN 63 HA GLN 63 -6.559 7.752 8.256
478 HB2 GLN 63 1HB GLN 63 -5.997 8.680 5.425
479 HB3 GLN 63 2HB GLN 63 -7.525 8.665 6.282
480 HG2 GLN 63 1HG GLN 63 -6.829 10.489 7.735
481 HG3 GLN 63 2HG GLN 63 -5.172 10.387 7.173
482 HE21 GLN 63 1HE2 GLN 63 -4.605 11.896 5.823
483 HE22 GLN 63 2HE2 GLN 63 -5.600 12.698 4.653
484 H GLU 64 H GLU 64 -7.712 6.313 6.374
485 HA GLU 64 HA GLU 64 -5.726 4.384 5.476
486 HB2 GLU 64 1HB GLU 64 -8.329 3.793 6.946
487 HB3 GLU 64 2HB GLU 64 -7.435 2.570 6.065
488 HG2 GLU 64 1HG GLU 64 -5.401 3.101 7.477
489 HG3 GLU 64 2HG GLU 64 -6.373 4.228 8.402
490 H GLY 65 H GLY 65 -5.853 4.184 3.287
491 HA2 GLY 65 1HA GLY 65 -8.504 4.152 2.037
492 HA3 GLY 65 2HA GLY 65 -7.362 5.373 1.512
493 H LEU 66 H LEU 66 -8.293 3.506 -0.334
494 HA LEU 66 HA LEU 66 -6.497 1.287 -0.483
495 HB2 LEU 66 1HB LEU 66 -8.416 2.416 -2.526
496 HB3 LEU 66 2HB LEU 66 -7.596 0.871 -2.627
497 HG LEU 66 HG LEU 66 -9.436 1.527 -0.325
498 HD11 LEU 66 1HD1 LEU 66 -11.179 1.585 -1.700
499 HD12 LEU 66 2HD1 LEU 66 -10.171 1.159 -3.104
500 HD13 LEU 66 3HD1 LEU 66 -10.855 -0.124 -2.078
501 HD21 LEU 66 1HD2 LEU 66 -9.661 -1.130 -0.754
502 HD22 LEU 66 2HD2 LEU 66 -7.992 -0.862 -1.313
503 HD23 LEU 66 3HD2 LEU 66 -8.464 -0.396 0.339
504 H LEU 67 H LEU 67 -4.823 0.959 -2.062
505 HA LEU 67 HA LEU 67 -3.872 3.450 -3.284
506 HB2 LEU 67 1HB LEU 67 -2.695 2.115 -1.111
507 HB3 LEU 67 2HB LEU 67 -1.712 1.701 -2.502
508 HG LEU 67 HG LEU 67 -2.441 4.574 -2.013
509 HD11 LEU 67 1HD1 LEU 67 -1.546 4.431 0.045
510 HD12 LEU 67 2HD1 LEU 67 -0.721 2.892 -0.300
511 HD13 LEU 67 3HD1 LEU 67 0.000 4.428 -0.838
512 HD21 LEU 67 1HD2 LEU 67 -0.083 3.177 -3.302
513 HD22 LEU 67 2HD2 LEU 67 -1.379 4.088 -4.114
514 HD23 LEU 67 3HD2 LEU 67 -0.216 4.936 -3.067
515 H ALA 68 H ALA 68 -2.760 3.193 -5.295
516 HA ALA 68 HA ALA 68 -3.752 1.049 -6.838
517 HB1 ALA 68 1HB ALA 68 -3.380 2.722 -8.303
518 HB2 ALA 68 2HB ALA 68 -2.256 3.542 -7.192
519 HB3 ALA 68 3HB ALA 68 -1.665 2.247 -8.262
520 H ALA 69 H ALA 69 -3.020 -1.011 -6.883
521 HA ALA 69 HA ALA 69 -0.814 -1.894 -5.499
522 HB1 ALA 69 1HB ALA 69 -1.123 -3.972 -6.809
523 HB2 ALA 69 2HB ALA 69 -2.680 -3.312 -6.254
524 HB3 ALA 69 3HB ALA 69 -2.173 -3.094 -7.946
525 H GLY 70 H GLY 70 -1.038 -0.275 -8.605
526 HA2 GLY 70 1HA GLY 70 1.714 -1.061 -9.290
527 HA3 GLY 70 2HA GLY 70 0.531 -0.342 -10.363
528 H ALA 71 H ALA 71 1.165 0.754 -7.000
529 HA ALA 71 HA ALA 71 2.722 2.995 -7.982
530 HB1 ALA 71 1HB ALA 71 0.868 4.242 -6.319
531 HB2 ALA 71 2HB ALA 71 0.910 4.335 -8.096
532 HB3 ALA 71 3HB ALA 71 -0.127 3.133 -7.291
533 H LEU 72 H LEU 72 2.951 0.482 -6.248
534 HA LEU 72 HA LEU 72 3.927 1.898 -3.873
535 HB2 LEU 72 1HB LEU 72 2.444 -0.734 -3.926
536 HB3 LEU 72 2HB LEU 72 3.267 -0.073 -2.527
537 HG LEU 72 HG LEU 72 1.089 1.481 -3.915
538 HD11 LEU 72 1HD1 LEU 72 -0.559 0.194 -3.158
539 HD12 LEU 72 2HD1 LEU 72 0.672 -1.051 -2.835
540 HD13 LEU 72 3HD1 LEU 72 0.179 0.070 -1.543
541 HD21 LEU 72 1HD2 LEU 72 0.830 2.214 -1.416
542 HD22 LEU 72 2HD2 LEU 72 2.494 1.598 -1.269
543 HD23 LEU 72 3HD2 LEU 72 2.125 2.899 -2.427
544 H ARG 73 H ARG 73 5.771 0.817 -2.817
545 HA ARG 73 HA ARG 73 7.016 -1.208 -4.438
546 HB2 ARG 73 1HB ARG 73 9.192 0.058 -4.489
547 HB3 ARG 73 2HB ARG 73 7.930 0.858 -5.406
548 HG2 ARG 73 1HG ARG 73 8.299 2.723 -4.171
549 HG3 ARG 73 2HG ARG 73 7.640 1.879 -2.784
550 HD2 ARG 73 1HD ARG 73 9.754 1.328 -1.928
551 HD3 ARG 73 2HD ARG 73 10.518 1.334 -3.506
552 HE ARG 73 HE ARG 73 9.573 3.985 -2.842
553 HH11 ARG 73 2HH2 ARG 73 12.140 1.691 -2.115
554 HH12 ARG 73 1HH2 ARG 73 13.283 2.915 -1.674
555 HH21 ARG 73 2HH1 ARG 73 11.081 5.600 -2.260
556 HH22 ARG 73 1HH1 ARG 73 12.677 5.154 -1.757
557 H GLU 74 H GLU 74 9.239 -1.865 -3.259
558 HA GLU 74 HA GLU 74 8.506 -2.170 -0.491
559 HB2 GLU 74 1HB GLU 74 9.439 -3.983 -2.238
560 HB3 GLU 74 2HB GLU 74 10.990 -3.403 -1.665
561 HG2 GLU 74 1HG GLU 74 9.734 -3.703 0.735
562 HG3 GLU 74 2HG GLU 74 8.856 -4.908 -0.185
563 H ARG 75 H ARG 75 9.183 -0.635 0.941
564 HA ARG 75 HA ARG 75 10.920 1.331 0.446
565 HB2 ARG 75 1HB ARG 75 9.439 1.122 2.472
566 HB3 ARG 75 2HB ARG 75 10.536 -0.070 3.140
567 HG2 ARG 75 1HG ARG 75 12.381 1.612 3.141
568 HG3 ARG 75 2HG ARG 75 11.302 2.806 2.447
569 HD2 ARG 75 1HD ARG 75 9.857 2.745 4.440
570 HD3 ARG 75 2HD ARG 75 10.774 1.413 5.115
571 HE ARG 75 HE ARG 75 12.473 2.913 5.756
572 HH11 ARG 75 2HH2 ARG 75 10.228 4.513 3.570
573 HH12 ARG 75 1HH2 ARG 75 10.887 6.091 3.843
574 HH21 ARG 75 2HH1 ARG 75 13.344 4.994 6.117
575 HH22 ARG 75 1HH1 ARG 75 12.672 6.367 5.302
576 H SER 76 H SER 76 13.171 1.640 0.470
577 HA SER 76 HA SER 76 14.709 -0.782 0.606
578 HB2 SER 76 1HB SER 76 15.031 0.837 -1.261
579 HB3 SER 76 2HB SER 76 15.520 2.070 -0.116
580 HG SER 76 HG SER 76 17.499 1.287 -0.233
581 H GLY 77 H GLY 77 14.987 -1.351 2.788
582 HA2 GLY 77 1HA GLY 77 16.720 0.407 4.335
583 HA3 GLY 77 2HA GLY 77 15.141 0.077 5.021
584 HA PRO 78 HA PRO 78 17.804 -3.353 6.298
585 HB2 PRO 78 1HB PRO 78 17.270 -3.239 8.976
586 HB3 PRO 78 2HB PRO 78 18.642 -2.438 8.237
587 HG2 PRO 78 1HG PRO 78 16.116 -1.259 9.220
588 HG3 PRO 78 2HG PRO 78 17.640 -0.463 8.882
589 HD2 PRO 78 1HD PRO 78 15.284 -0.427 7.246
590 HD3 PRO 78 2HD PRO 78 16.843 0.271 6.854
591 H SER 79 H SER 79 14.597 -2.598 7.535
592 HA SER 79 HA SER 79 12.821 -3.821 7.770
593 HB2 SER 79 1HB SER 79 14.103 -4.917 5.351
594 HB3 SER 79 2HB SER 79 13.053 -6.082 6.132
595 HG SER 79 HG SER 79 11.411 -5.037 5.264
596 H SER 80 H SER 80 11.950 -6.077 8.494
597 HA SER 80 HA SER 80 14.101 -7.465 9.893
598 HB2 SER 80 1HB SER 80 12.556 -7.838 11.775
599 HB3 SER 80 2HB SER 80 12.741 -6.123 11.466
600 HG SER 80 HG SER 80 10.629 -7.377 10.067
601 H GLY 81 H GLY 81 13.557 -9.805 10.411
602 HA2 GLY 81 1HA GLY 81 11.377 -11.003 8.933
603 HA3 GLY 81 2HA GLY 81 12.967 -11.324 8.268
Start of MODEL 11
1 H1 GLY 1 H GLY 1 6.630 -25.290 21.247
2 HA2 GLY 1 1HA GLY 1 4.922 -27.421 22.325
3 HA3 GLY 1 2HA GLY 1 4.495 -25.737 22.096
4 H SER 2 H SER 2 4.537 -24.938 19.704
5 HA SER 2 HA SER 2 2.746 -26.500 18.296
6 HB2 SER 2 1HB SER 2 4.545 -24.267 17.253
7 HB3 SER 2 2HB SER 2 3.102 -24.861 16.457
8 HG SER 2 HG SER 2 1.846 -24.158 18.303
9 H SER 3 H SER 3 2.978 -28.006 16.614
10 HA SER 3 HA SER 3 5.746 -28.609 15.916
11 HB2 SER 3 1HB SER 3 4.907 -30.441 17.228
12 HB3 SER 3 2HB SER 3 3.372 -30.448 16.383
13 HG SER 3 HG SER 3 4.705 -32.171 15.621
14 H GLY 4 H GLY 4 5.810 -27.357 13.992
15 HA2 GLY 4 1HA GLY 4 4.236 -28.462 11.783
16 HA3 GLY 4 2HA GLY 4 4.077 -26.750 12.122
17 H SER 5 H SER 5 5.144 -25.796 10.401
18 HA SER 5 HA SER 5 7.941 -25.858 10.464
19 HB2 SER 5 1HB SER 5 8.372 -26.797 8.215
20 HB3 SER 5 2HB SER 5 7.661 -27.997 9.277
21 HG SER 5 HG SER 5 6.517 -28.160 7.362
22 H SER 6 H SER 6 8.517 -23.791 9.882
23 HA SER 6 HA SER 6 6.618 -22.385 8.177
24 HB2 SER 6 1HB SER 6 7.315 -21.665 10.673
25 HB3 SER 6 2HB SER 6 8.663 -20.923 9.835
26 HG SER 6 HG SER 6 7.215 -19.310 9.678
27 H GLY 7 H GLY 7 7.342 -21.521 6.228
28 HA2 GLY 7 1HA GLY 7 10.258 -21.493 5.766
29 HA3 GLY 7 2HA GLY 7 9.173 -22.283 4.638
30 H ARG 8 H ARG 8 10.421 -19.218 5.827
31 HA ARG 8 HA ARG 8 10.280 -17.183 5.117
32 HB2 ARG 8 1HB ARG 8 9.418 -18.621 2.575
33 HB3 ARG 8 2HB ARG 8 9.514 -16.871 2.616
34 HG2 ARG 8 1HG ARG 8 11.713 -17.142 2.081
35 HG3 ARG 8 2HG ARG 8 11.938 -17.579 3.763
36 HD2 ARG 8 1HD ARG 8 10.987 -19.946 2.493
37 HD3 ARG 8 2HD ARG 8 12.159 -19.264 1.384
38 HE ARG 8 HE ARG 8 12.733 -20.477 3.946
39 HH11 ARG 8 2HH2 ARG 8 13.810 -17.924 1.776
40 HH12 ARG 8 1HH2 ARG 8 15.440 -17.938 2.362
41 HH21 ARG 8 2HH1 ARG 8 14.884 -20.496 4.719
42 HH22 ARG 8 1HH1 ARG 8 16.055 -19.411 4.047
43 H MET 9 H MET 9 8.587 -16.625 6.655
44 HA MET 9 HA MET 9 5.977 -17.082 6.510
45 HB2 MET 9 1HB MET 9 7.744 -15.092 7.698
46 HB3 MET 9 2HB MET 9 6.276 -14.284 7.184
47 HG2 MET 9 1HG MET 9 5.309 -15.046 9.098
48 HG3 MET 9 2HG MET 9 5.321 -16.643 8.376
49 HE1 MET 9 1HE MET 9 7.221 -15.233 11.997
50 HE2 MET 9 2HE MET 9 8.053 -14.316 10.718
51 HE3 MET 9 3HE MET 9 6.275 -14.325 10.793
52 HA PRO 10 HA PRO 10 5.365 -13.469 3.494
53 HB2 PRO 10 1HB PRO 10 7.529 -12.298 2.305
54 HB3 PRO 10 2HB PRO 10 6.758 -11.653 3.741
55 HG2 PRO 10 1HG PRO 10 9.321 -13.108 3.508
56 HG3 PRO 10 2HG PRO 10 8.745 -12.102 4.823
57 HD2 PRO 10 1HD PRO 10 8.823 -14.969 4.763
58 HD3 PRO 10 2HD PRO 10 8.141 -13.965 6.027
59 H THR 11 H THR 11 4.398 -14.111 1.676
60 HA THR 11 HA THR 11 6.019 -15.159 -0.430
61 HB THR 11 HB THR 11 5.952 -17.165 1.006
62 HG1 THR 11 1HG THR 11 5.410 -18.242 -0.856
63 HG21 THR 11 1HG2 THR 11 2.943 -16.631 0.965
64 HG22 THR 11 2HG2 THR 11 3.622 -18.237 1.320
65 HG23 THR 11 3HG2 THR 11 3.983 -16.861 2.391
66 H ARG 12 H ARG 12 5.079 -14.792 -2.371
67 HA ARG 12 HA ARG 12 3.623 -14.144 -3.829
68 HB2 ARG 12 1HB ARG 12 2.209 -16.040 -2.328
69 HB3 ARG 12 2HB ARG 12 1.117 -14.670 -2.328
70 HG2 ARG 12 1HG ARG 12 2.343 -15.211 -4.979
71 HG3 ARG 12 2HG ARG 12 1.354 -16.529 -4.381
72 HD2 ARG 12 1HD ARG 12 0.338 -13.659 -4.339
73 HD3 ARG 12 2HD ARG 12 0.180 -14.654 -5.773
74 HE ARG 12 HE ARG 12 -0.797 -16.219 -3.639
75 HH11 ARG 12 2HH2 ARG 12 -1.612 -13.165 -5.184
76 HH12 ARG 12 1HH2 ARG 12 -3.299 -13.278 -4.807
77 HH21 ARG 12 2HH1 ARG 12 -3.023 -16.369 -3.142
78 HH22 ARG 12 1HH1 ARG 12 -4.107 -15.113 -3.638
79 H ARG 13 H ARG 13 3.591 -11.925 -4.066
80 HA ARG 13 HA ARG 13 3.211 -9.826 -3.703
81 HB2 ARG 13 1HB ARG 13 0.633 -10.687 -2.302
82 HB3 ARG 13 2HB ARG 13 0.925 -9.152 -3.095
83 HG2 ARG 13 1HG ARG 13 1.232 -11.713 -4.682
84 HG3 ARG 13 2HG ARG 13 -0.377 -11.096 -4.364
85 HD2 ARG 13 1HD ARG 13 0.075 -9.020 -5.512
86 HD3 ARG 13 2HD ARG 13 1.803 -9.314 -5.530
87 HE ARG 13 HE ARG 13 0.723 -11.490 -6.906
88 HH11 ARG 13 2HH2 ARG 13 0.599 -7.992 -7.267
89 HH12 ARG 13 1HH2 ARG 13 0.406 -8.048 -8.987
90 HH21 ARG 13 2HH1 ARG 13 0.469 -11.565 -9.176
91 HH22 ARG 13 1HH1 ARG 13 0.332 -10.094 -10.081
92 H TRP 14 H TRP 14 2.326 -8.127 -1.801
93 HA TRP 14 HA TRP 14 4.071 -8.693 0.413
94 HB2 TRP 14 1HB TRP 14 2.346 -6.307 -0.270
95 HB3 TRP 14 2HB TRP 14 3.400 -6.399 1.127
96 HD1 TRP 14 HD TRP 14 6.094 -7.437 -0.030
97 HE1 TRP 14 1HE TRP 14 7.557 -6.138 -1.801
98 HE3 TRP 14 3HE TRP 14 2.301 -4.579 -1.848
99 HZ2 TRP 14 2HZ TRP 14 6.977 -4.106 -3.720
100 HZ3 TRP 14 3HZ TRP 14 2.834 -2.963 -3.670
101 HH2 TRP 14 HH TRP 14 5.078 -2.702 -4.603
102 H ALA 15 H ALA 15 3.274 -8.471 2.704
103 HA ALA 15 HA ALA 15 0.562 -9.582 2.910
104 HB1 ALA 15 1HB ALA 15 2.217 -9.928 5.270
105 HB2 ALA 15 2HB ALA 15 1.443 -11.161 4.245
106 HB3 ALA 15 3HB ALA 15 3.058 -10.541 3.826
107 HA PRO 16 HA PRO 16 -0.544 -6.295 5.504
108 HB2 PRO 16 1HB PRO 16 -1.901 -7.414 7.596
109 HB3 PRO 16 2HB PRO 16 -2.607 -7.185 6.008
110 HG2 PRO 16 1HG PRO 16 -1.644 -9.681 7.266
111 HG3 PRO 16 2HG PRO 16 -2.718 -9.486 5.895
112 HD2 PRO 16 1HD PRO 16 0.055 -10.214 5.813
113 HD3 PRO 16 2HD PRO 16 -0.988 -9.906 4.439
114 H GLY 17 H GLY 17 0.803 -4.916 6.454
115 HA2 GLY 17 1HA GLY 17 1.614 -4.334 8.680
116 HA3 GLY 17 2HA GLY 17 2.171 -5.987 8.851
117 H THR 18 H THR 18 2.594 -5.187 5.604
118 HA THR 18 HA THR 18 5.435 -4.719 6.058
119 HB THR 18 HB THR 18 3.725 -5.490 3.640
120 HG1 THR 18 1HG THR 18 4.893 -7.486 4.086
121 HG21 THR 18 1HG2 THR 18 5.563 -5.327 2.263
122 HG22 THR 18 2HG2 THR 18 6.174 -4.168 3.467
123 HG23 THR 18 3HG2 THR 18 6.670 -5.876 3.545
124 H GLN 19 H GLN 19 6.562 -2.904 5.496
125 HA GLN 19 HA GLN 19 4.919 -0.595 5.103
126 HB2 GLN 19 1HB GLN 19 7.904 -0.987 5.553
127 HB3 GLN 19 2HB GLN 19 7.196 0.591 5.275
128 HG2 GLN 19 1HG GLN 19 5.677 0.250 7.240
129 HG3 GLN 19 2HG GLN 19 6.401 -1.321 7.522
130 HE21 GLN 19 1HE2 GLN 19 6.318 1.567 8.765
131 HE22 GLN 19 2HE2 GLN 19 7.939 1.814 9.324
132 H CYS 20 H CYS 20 4.344 0.122 3.102
133 HA CYS 20 HA CYS 20 6.150 -0.565 0.902
134 HB2 CYS 20 1HB CYS 20 3.164 -0.019 0.831
135 HB3 CYS 20 2HB CYS 20 4.166 -0.324 -0.573
136 HG CYS 20 HG CYS 20 2.925 -2.248 1.670
137 H ILE 21 H ILE 21 6.625 1.137 -0.656
138 HA ILE 21 HA ILE 21 6.052 3.817 0.405
139 HB ILE 21 HB ILE 21 8.432 3.063 -1.275
140 HG12 ILE 21 1HG1 ILE 21 8.703 1.665 0.608
141 HG13 ILE 21 2HG1 ILE 21 9.710 3.069 0.903
142 HG21 ILE 21 1HG2 ILE 21 8.012 5.380 0.629
143 HG22 ILE 21 2HG2 ILE 21 9.359 5.131 -0.509
144 HG23 ILE 21 3HG2 ILE 21 7.721 5.456 -1.126
145 HD11 ILE 21 1HD1 ILE 21 8.650 3.216 2.910
146 HD12 ILE 21 2HD1 ILE 21 7.259 3.844 1.995
147 HD13 ILE 21 3HD1 ILE 21 7.354 2.111 2.391
148 H THR 22 H THR 22 5.598 5.503 -1.142
149 HA THR 22 HA THR 22 4.166 4.471 -3.427
150 HB THR 22 HB THR 22 3.482 6.900 -3.589
151 HG1 THR 22 1HG THR 22 4.557 8.323 -2.159
152 HG21 THR 22 1HG2 THR 22 3.308 5.395 -0.966
153 HG22 THR 22 2HG2 THR 22 2.768 7.090 -1.013
154 HG23 THR 22 3HG2 THR 22 1.997 5.880 -2.068
155 H LYS 23 H LYS 23 4.541 4.947 -5.614
156 HA LYS 23 HA LYS 23 7.354 5.350 -6.167
157 HB2 LYS 23 1HB LYS 23 4.988 4.385 -7.771
158 HB3 LYS 23 2HB LYS 23 6.497 4.816 -8.550
159 HG2 LYS 23 1HG LYS 23 7.419 3.240 -6.477
160 HG3 LYS 23 2HG LYS 23 5.867 2.489 -6.794
161 HD2 LYS 23 1HD LYS 23 7.863 3.110 -9.015
162 HD3 LYS 23 2HD LYS 23 7.876 1.591 -8.141
163 HE2 LYS 23 1HE LYS 23 5.184 2.367 -9.132
164 HE3 LYS 23 2HE LYS 23 6.357 2.119 -10.410
165 HZ1 LYS 23 1HZ LYS 23 5.060 0.138 -9.464
166 HZ2 LYS 23 2HZ LYS 23 6.645 -0.049 -9.812
167 HZ3 LYS 23 3HZ LYS 23 6.168 0.162 -8.264
168 H CYS 24 H CYS 24 4.287 7.075 -6.243
169 HA CYS 24 HA CYS 24 5.743 9.386 -7.242
170 HB2 CYS 24 1HB CYS 24 3.171 8.324 -8.437
171 HB3 CYS 24 2HB CYS 24 3.675 9.993 -8.619
172 HG CYS 24 HG CYS 24 4.245 8.493 -10.764
173 H GLU 25 H GLU 25 3.941 11.358 -7.025
174 HA GLU 25 HA GLU 25 2.938 11.016 -4.315
175 HB2 GLU 25 1HB GLU 25 3.093 13.470 -4.125
176 HB3 GLU 25 2HB GLU 25 4.635 12.790 -4.607
177 HG2 GLU 25 1HG GLU 25 3.204 13.296 -7.030
178 HG3 GLU 25 2HG GLU 25 2.965 14.710 -6.022
179 H HIS 26 H HIS 26 0.765 11.452 -3.808
180 HA HIS 26 HA HIS 26 -0.901 12.186 -6.104
181 HB2 HIS 26 1HB HIS 26 -0.857 9.698 -5.069
182 HB3 HIS 26 2HB HIS 26 -2.037 10.420 -3.993
183 HD1 HIS 26 1HD HIS 26 -1.728 11.281 -7.693
184 HD2 HIS 26 2HD HIS 26 -4.298 9.241 -5.080
185 HE1 HIS 26 1HE HIS 26 -3.813 10.707 -9.045
186 H THR 27 H THR 27 -1.510 14.266 -5.712
187 HA THR 27 HA THR 27 -2.027 15.052 -2.949
188 HB THR 27 HB THR 27 -1.709 17.274 -3.772
189 HG1 THR 27 1HG THR 27 -2.356 15.919 -6.289
190 HG21 THR 27 1HG2 THR 27 -0.136 15.770 -5.899
191 HG22 THR 27 2HG2 THR 27 0.321 17.252 -5.024
192 HG23 THR 27 3HG2 THR 27 0.351 15.680 -4.190
193 H ARG 28 H ARG 28 -3.686 14.308 -5.985
194 HA ARG 28 HA ARG 28 -6.154 14.850 -4.547
195 HB2 ARG 28 1HB ARG 28 -5.562 15.399 -7.498
196 HB3 ARG 28 2HB ARG 28 -7.171 15.464 -6.808
197 HG2 ARG 28 1HG ARG 28 -5.330 17.028 -5.170
198 HG3 ARG 28 2HG ARG 28 -5.215 17.539 -6.842
199 HD2 ARG 28 1HD ARG 28 -7.385 18.353 -6.896
200 HD3 ARG 28 2HD ARG 28 -7.998 17.107 -5.827
201 HE ARG 28 HE ARG 28 -6.231 18.777 -4.323
202 HH11 ARG 28 2HH2 ARG 28 -9.379 18.919 -5.889
203 HH12 ARG 28 1HH2 ARG 28 -10.000 20.129 -4.817
204 HH21 ARG 28 2HH1 ARG 28 -7.050 20.374 -2.908
205 HH22 ARG 28 1HH1 ARG 28 -8.667 20.962 -3.110
206 HA PRO 29 HA PRO 29 -6.230 10.568 -5.898
207 HB2 PRO 29 1HB PRO 29 -7.551 9.570 -3.723
208 HB3 PRO 29 2HB PRO 29 -5.804 9.661 -3.824
209 HG2 PRO 29 1HG PRO 29 -7.662 11.364 -2.279
210 HG3 PRO 29 2HG PRO 29 -5.934 11.157 -2.074
211 HD2 PRO 29 1HD PRO 29 -7.263 13.388 -3.292
212 HD3 PRO 29 2HD PRO 29 -5.533 13.127 -3.190
213 H LYS 30 H LYS 30 -8.073 8.888 -6.120
214 HA LYS 30 HA LYS 30 -10.037 10.171 -7.631
215 HB2 LYS 30 1HB LYS 30 -9.245 7.478 -6.956
216 HB3 LYS 30 2HB LYS 30 -10.989 7.619 -6.866
217 HG2 LYS 30 1HG LYS 30 -11.001 8.677 -9.151
218 HG3 LYS 30 2HG LYS 30 -9.263 8.471 -9.239
219 HD2 LYS 30 1HD LYS 30 -9.399 6.163 -9.517
220 HD3 LYS 30 2HD LYS 30 -10.866 6.021 -8.569
221 HE2 LYS 30 1HE LYS 30 -12.156 6.122 -10.436
222 HE3 LYS 30 2HE LYS 30 -11.418 7.635 -10.924
223 HZ1 LYS 30 1HZ LYS 30 -10.058 6.580 -12.313
224 HZ2 LYS 30 2HZ LYS 30 -9.755 5.336 -11.299
225 HZ3 LYS 30 3HZ LYS 30 -11.110 5.335 -12.210
226 HA PRO 31 HA PRO 31 -13.190 11.023 -4.798
227 HB2 PRO 31 1HB PRO 31 -15.502 10.086 -5.913
228 HB3 PRO 31 2HB PRO 31 -14.726 11.572 -6.424
229 HG2 PRO 31 1HG PRO 31 -14.786 8.950 -7.787
230 HG3 PRO 31 2HG PRO 31 -14.398 10.524 -8.452
231 HD2 PRO 31 1HD PRO 31 -12.542 8.449 -7.759
232 HD3 PRO 31 2HD PRO 31 -12.150 10.064 -8.315
233 H GLY 32 H GLY 32 -12.461 9.938 -2.960
234 HA2 GLY 32 1HA GLY 32 -13.619 8.682 -1.241
235 HA3 GLY 32 2HA GLY 32 -14.057 7.498 -2.457
236 H GLU 33 H GLU 33 -10.857 8.991 -2.636
237 HA GLU 33 HA GLU 33 -9.762 6.494 -1.595
238 HB2 GLU 33 1HB GLU 33 -9.015 8.166 -3.994
239 HB3 GLU 33 2HB GLU 33 -7.755 7.260 -3.180
240 HG2 GLU 33 1HG GLU 33 -9.135 5.167 -3.419
241 HG3 GLU 33 2HG GLU 33 -10.352 6.086 -4.282
242 H LEU 34 H LEU 34 -7.194 6.955 -1.118
243 HA LEU 34 HA LEU 34 -7.254 9.223 0.727
244 HB2 LEU 34 1HB LEU 34 -6.789 7.376 1.981
245 HB3 LEU 34 2HB LEU 34 -5.933 6.559 0.688
246 HG LEU 34 HG LEU 34 -4.144 8.456 1.054
247 HD11 LEU 34 1HD1 LEU 34 -5.613 9.701 2.658
248 HD12 LEU 34 2HD1 LEU 34 -5.385 8.365 3.813
249 HD13 LEU 34 3HD1 LEU 34 -3.985 9.323 3.273
250 HD21 LEU 34 1HD2 LEU 34 -4.512 5.800 2.049
251 HD22 LEU 34 2HD2 LEU 34 -3.002 6.652 1.646
252 HD23 LEU 34 3HD2 LEU 34 -3.679 6.769 3.288
253 H ALA 35 H ALA 35 -5.274 10.556 0.939
254 HA ALA 35 HA ALA 35 -3.957 10.792 -1.679
255 HB1 ALA 35 1HB ALA 35 -4.059 13.092 -1.467
256 HB2 ALA 35 2HB ALA 35 -5.535 12.640 -0.582
257 HB3 ALA 35 3HB ALA 35 -4.048 13.039 0.312
258 H PHE 36 H PHE 36 -1.672 11.197 -1.717
259 HA PHE 36 HA PHE 36 -0.234 11.235 0.755
260 HB2 PHE 36 1HB PHE 36 0.990 9.072 0.121
261 HB3 PHE 36 2HB PHE 36 -0.686 8.816 0.562
262 HD1 PHE 36 1HD PHE 36 1.719 8.831 -2.195
263 HD2 PHE 36 2HD PHE 36 -2.326 8.160 -1.102
264 HE1 PHE 36 1HE PHE 36 1.318 7.680 -4.389
265 HE2 PHE 36 2HE PHE 36 -2.728 7.009 -3.296
266 HZ PHE 36 HZ PHE 36 -0.901 6.783 -4.913
267 H ARG 37 H ARG 37 2.224 11.199 0.289
268 HA ARG 37 HA ARG 37 2.586 12.596 -2.232
269 HB2 ARG 37 1HB ARG 37 4.059 12.720 0.434
270 HB3 ARG 37 2HB ARG 37 4.770 13.386 -1.022
271 HG2 ARG 37 1HG ARG 37 1.932 14.175 -0.415
272 HG3 ARG 37 2HG ARG 37 3.178 14.841 0.623
273 HD2 ARG 37 1HD ARG 37 4.324 15.875 -1.245
274 HD3 ARG 37 2HD ARG 37 3.387 14.969 -2.416
275 HE ARG 37 HE ARG 37 1.590 16.487 -0.774
276 HH11 ARG 37 2HH2 ARG 37 3.995 16.939 -3.303
277 HH12 ARG 37 1HH2 ARG 37 3.271 18.391 -3.908
278 HH21 ARG 37 2HH1 ARG 37 0.635 18.404 -1.572
279 HH22 ARG 37 1HH1 ARG 37 1.348 19.231 -2.917
280 H LYS 38 H LYS 38 5.300 12.447 -2.656
281 HA LYS 38 HA LYS 38 5.619 9.669 -3.331
282 HB2 LYS 38 1HB LYS 38 6.132 11.508 -4.918
283 HB3 LYS 38 2HB LYS 38 7.420 12.051 -3.863
284 HG2 LYS 38 1HG LYS 38 8.313 9.585 -4.036
285 HG3 LYS 38 2HG LYS 38 7.239 9.445 -5.414
286 HD2 LYS 38 1HD LYS 38 8.397 11.720 -6.180
287 HD3 LYS 38 2HD LYS 38 9.665 11.223 -5.077
288 HE2 LYS 38 1HE LYS 38 9.578 8.919 -6.316
289 HE3 LYS 38 2HE LYS 38 8.659 9.760 -7.548
290 HZ1 LYS 38 1HZ LYS 38 10.627 10.344 -8.329
291 HZ2 LYS 38 2HZ LYS 38 10.753 11.393 -7.084
292 HZ3 LYS 38 3HZ LYS 38 11.430 9.910 -6.974
293 H GLY 39 H GLY 39 6.757 8.169 -2.211
294 HA2 GLY 39 1HA GLY 39 8.372 7.328 -0.844
295 HA3 GLY 39 2HA GLY 39 8.972 8.944 -0.533
296 H ASP 40 H ASP 40 5.672 7.488 -0.089
297 HA ASP 40 HA ASP 40 5.765 8.516 2.619
298 HB2 ASP 40 1HB ASP 40 3.768 9.258 1.656
299 HB3 ASP 40 2HB ASP 40 3.603 7.838 0.643
300 H VAL 41 H VAL 41 5.448 7.077 4.425
301 HA VAL 41 HA VAL 41 5.793 4.260 3.760
302 HB VAL 41 HB VAL 41 6.212 5.931 6.233
303 HG11 VAL 41 1HG1 VAL 41 7.183 3.366 6.783
304 HG12 VAL 41 2HG1 VAL 41 5.758 4.150 7.505
305 HG13 VAL 41 3HG1 VAL 41 5.569 3.097 6.082
306 HG21 VAL 41 1HG2 VAL 41 8.527 4.686 5.905
307 HG22 VAL 41 2HG2 VAL 41 7.955 4.546 4.226
308 HG23 VAL 41 3HG2 VAL 41 8.127 6.150 4.976
309 H VAL 42 H VAL 42 4.091 2.891 3.780
310 HA VAL 42 HA VAL 42 1.852 3.584 5.543
311 HB VAL 42 HB VAL 42 0.312 2.830 3.790
312 HG11 VAL 42 1HG1 VAL 42 1.993 4.992 2.539
313 HG12 VAL 42 2HG1 VAL 42 0.222 4.861 2.664
314 HG13 VAL 42 3HG1 VAL 42 1.187 5.271 4.102
315 HG21 VAL 42 1HG2 VAL 42 1.518 2.944 1.388
316 HG22 VAL 42 2HG2 VAL 42 2.861 2.283 2.350
317 HG23 VAL 42 3HG2 VAL 42 1.302 1.427 2.294
318 H THR 43 H THR 43 0.539 1.684 6.178
319 HA THR 43 HA THR 43 2.174 -0.767 6.087
320 HB THR 43 HB THR 43 0.360 0.417 8.251
321 HG1 THR 43 1HG THR 43 2.573 1.225 8.056
322 HG21 THR 43 1HG2 THR 43 0.088 -1.995 8.422
323 HG22 THR 43 2HG2 THR 43 1.807 -2.270 8.054
324 HG23 THR 43 3HG2 THR 43 1.335 -1.543 9.608
325 H ILE 44 H ILE 44 1.355 -2.497 5.090
326 HA ILE 44 HA ILE 44 -1.054 -2.350 3.718
327 HB ILE 44 HB ILE 44 0.643 -4.712 4.526
328 HG12 ILE 44 1HG1 ILE 44 1.748 -2.967 3.138
329 HG13 ILE 44 2HG1 ILE 44 1.638 -4.532 2.357
330 HG21 ILE 44 1HG2 ILE 44 -1.963 -4.860 3.651
331 HG22 ILE 44 2HG2 ILE 44 -1.032 -5.001 2.140
332 HG23 ILE 44 3HG2 ILE 44 -0.729 -6.131 3.481
333 HD11 ILE 44 1HD1 ILE 44 -0.763 -3.043 1.738
334 HD12 ILE 44 2HD1 ILE 44 0.656 -2.022 1.399
335 HD13 ILE 44 3HD1 ILE 44 0.504 -3.619 0.627
336 H LEU 45 H LEU 45 -2.959 -1.956 4.756
337 HA LEU 45 HA LEU 45 -3.496 -2.914 7.348
338 HB2 LEU 45 1HB LEU 45 -5.261 -1.778 5.179
339 HB3 LEU 45 2HB LEU 45 -5.832 -2.172 6.789
340 HG LEU 45 HG LEU 45 -3.505 -0.296 6.417
341 HD11 LEU 45 1HD1 LEU 45 -5.092 1.598 6.430
342 HD12 LEU 45 2HD1 LEU 45 -5.221 0.597 4.964
343 HD13 LEU 45 3HD1 LEU 45 -6.438 0.447 6.253
344 HD21 LEU 45 1HD2 LEU 45 -3.659 0.022 8.613
345 HD22 LEU 45 2HD2 LEU 45 -5.419 0.276 8.532
346 HD23 LEU 45 3HD2 LEU 45 -4.763 -1.375 8.650
347 H GLU 46 H GLU 46 -4.693 -3.933 4.073
348 HA GLU 46 HA GLU 46 -4.842 -6.615 5.104
349 HB2 GLU 46 1HB GLU 46 -7.108 -5.404 5.476
350 HB3 GLU 46 2HB GLU 46 -7.287 -5.440 3.733
351 HG2 GLU 46 1HG GLU 46 -8.014 -7.582 3.844
352 HG3 GLU 46 2HG GLU 46 -6.477 -8.074 4.526
353 H ALA 47 H ALA 47 -3.977 -7.970 3.587
354 HA ALA 47 HA ALA 47 -3.556 -6.898 0.929
355 HB1 ALA 47 1HB ALA 47 -2.595 -9.589 1.279
356 HB2 ALA 47 2HB ALA 47 -1.659 -8.083 1.118
357 HB3 ALA 47 3HB ALA 47 -2.181 -8.638 2.726
358 H CYS 48 H CYS 48 -5.241 -7.073 -0.474
359 HA CYS 48 HA CYS 48 -6.303 -9.714 -0.905
360 HB2 CYS 48 1HB CYS 48 -7.831 -7.682 0.542
361 HB3 CYS 48 2HB CYS 48 -8.652 -8.207 -0.914
362 HG CYS 48 HG CYS 48 -7.345 -10.057 1.504
363 H GLU 49 H GLU 49 -7.768 -9.622 -2.955
364 HA GLU 49 HA GLU 49 -6.405 -7.969 -4.834
365 HB2 GLU 49 1HB GLU 49 -7.703 -10.471 -4.896
366 HB3 GLU 49 2HB GLU 49 -8.717 -9.438 -5.883
367 HG2 GLU 49 1HG GLU 49 -6.081 -8.760 -6.649
368 HG3 GLU 49 2HG GLU 49 -6.039 -10.501 -6.453
369 H ASN 50 H ASN 50 -7.379 -6.371 -6.228
370 HA ASN 50 HA ASN 50 -10.098 -5.703 -5.879
371 HB2 ASN 50 1HB ASN 50 -7.936 -4.058 -4.522
372 HB3 ASN 50 2HB ASN 50 -9.338 -3.233 -5.173
373 HD21 ASN 50 1HD2 ASN 50 -11.477 -4.436 -4.660
374 HD22 ASN 50 2HD2 ASN 50 -11.715 -4.888 -3.005
375 H LYS 51 H LYS 51 -8.152 -6.405 -8.002
376 HA LYS 51 HA LYS 51 -7.686 -5.809 -10.079
377 HB2 LYS 51 1HB LYS 51 -9.376 -3.347 -9.544
378 HB3 LYS 51 2HB LYS 51 -8.823 -3.885 -11.117
379 HG2 LYS 51 1HG LYS 51 -10.186 -6.009 -9.552
380 HG3 LYS 51 2HG LYS 51 -11.216 -4.637 -9.912
381 HD2 LYS 51 1HD LYS 51 -10.897 -4.877 -12.285
382 HD3 LYS 51 2HD LYS 51 -9.522 -5.943 -12.076
383 HE2 LYS 51 1HE LYS 51 -10.846 -7.802 -11.599
384 HE3 LYS 51 2HE LYS 51 -12.115 -6.849 -10.856
385 HZ1 LYS 51 1HZ LYS 51 -13.052 -7.395 -12.829
386 HZ2 LYS 51 2HZ LYS 51 -12.376 -5.974 -13.264
387 HZ3 LYS 51 3HZ LYS 51 -11.652 -7.380 -13.670
388 H SER 52 H SER 52 -5.693 -5.531 -8.284
389 HA SER 52 HA SER 52 -3.715 -4.641 -8.103
390 HB2 SER 52 1HB SER 52 -4.477 -3.781 -10.657
391 HB3 SER 52 2HB SER 52 -3.976 -2.296 -9.873
392 HG SER 52 HG SER 52 -1.943 -2.910 -10.075
393 H TRP 53 H TRP 53 -5.521 -4.000 -6.169
394 HA TRP 53 HA TRP 53 -4.797 -1.234 -5.550
395 HB2 TRP 53 1HB TRP 53 -7.568 -2.397 -5.589
396 HB3 TRP 53 2HB TRP 53 -7.154 -1.094 -4.494
397 HD1 TRP 53 HD TRP 53 -7.665 -1.772 -8.244
398 HE1 TRP 53 1HE TRP 53 -7.864 0.476 -9.611
399 HE3 TRP 53 3HE TRP 53 -6.389 1.294 -4.394
400 HZ2 TRP 53 2HZ TRP 53 -7.473 3.223 -8.943
401 HZ3 TRP 53 3HZ TRP 53 -6.321 3.746 -4.836
402 HH2 TRP 53 HH TRP 53 -6.837 4.721 -7.017
403 H TYR 54 H TYR 54 -4.517 -0.889 -3.261
404 HA TYR 54 HA TYR 54 -4.821 -3.265 -1.584
405 HB2 TYR 54 1HB TYR 54 -2.353 -1.629 -2.337
406 HB3 TYR 54 2HB TYR 54 -2.422 -2.324 -0.730
407 HD1 TYR 54 1HD TYR 54 -2.203 -3.078 -4.332
408 HD2 TYR 54 2HD TYR 54 -2.209 -4.721 -0.382
409 HE1 TYR 54 1HE TYR 54 -1.335 -5.287 -5.242
410 HE2 TYR 54 2HE TYR 54 -1.342 -6.925 -1.306
411 HH TYR 54 HH TYR 54 0.152 -7.406 -3.708
412 H ARG 55 H ARG 55 -4.890 -2.786 0.716
413 HA ARG 55 HA ARG 55 -5.649 -0.014 1.134
414 HB2 ARG 55 1HB ARG 55 -7.184 -2.156 1.628
415 HB3 ARG 55 2HB ARG 55 -6.261 -2.222 3.116
416 HG2 ARG 55 1HG ARG 55 -6.851 0.260 3.460
417 HG3 ARG 55 2HG ARG 55 -7.960 0.104 2.112
418 HD2 ARG 55 1HD ARG 55 -9.139 -1.765 3.320
419 HD3 ARG 55 2HD ARG 55 -8.050 -1.558 4.677
420 HE ARG 55 HE ARG 55 -9.152 0.452 5.263
421 HH11 ARG 55 2HH2 ARG 55 -10.296 -0.719 2.148
422 HH12 ARG 55 1HH2 ARG 55 -11.642 0.369 2.089
423 HH21 ARG 55 2HH1 ARG 55 -10.928 1.888 5.186
424 HH22 ARG 55 1HH1 ARG 55 -12.004 1.863 3.829
425 H VAL 56 H VAL 56 -4.139 1.225 2.201
426 HA VAL 56 HA VAL 56 -2.508 -0.130 4.232
427 HB VAL 56 HB VAL 56 -0.581 1.061 3.530
428 HG11 VAL 56 1HG1 VAL 56 -1.497 -0.990 2.166
429 HG12 VAL 56 2HG1 VAL 56 -1.685 0.213 0.867
430 HG13 VAL 56 3HG1 VAL 56 -0.082 -0.082 1.582
431 HG21 VAL 56 1HG2 VAL 56 -0.531 2.676 1.719
432 HG22 VAL 56 2HG2 VAL 56 -2.269 2.439 1.415
433 HG23 VAL 56 3HG2 VAL 56 -1.725 3.187 2.937
434 H LYS 57 H LYS 57 -1.361 1.750 5.613
435 HA LYS 57 HA LYS 57 -3.407 3.800 6.096
436 HB2 LYS 57 1HB LYS 57 -3.541 1.930 7.746
437 HB3 LYS 57 2HB LYS 57 -1.889 2.265 8.225
438 HG2 LYS 57 1HG LYS 57 -3.013 4.792 8.375
439 HG3 LYS 57 2HG LYS 57 -4.378 3.787 8.820
440 HD2 LYS 57 1HD LYS 57 -3.035 2.686 10.589
441 HD3 LYS 57 2HD LYS 57 -1.613 3.589 10.106
442 HE2 LYS 57 1HE LYS 57 -3.248 5.695 10.506
443 HE3 LYS 57 2HE LYS 57 -4.080 4.557 11.549
444 HZ1 LYS 57 1HZ LYS 57 -1.615 5.858 11.963
445 HZ2 LYS 57 2HZ LYS 57 -2.545 5.047 13.033
446 HZ3 LYS 57 3HZ LYS 57 -1.445 4.243 12.133
447 H HIS 58 H HIS 58 -2.634 5.844 6.017
448 HA HIS 58 HA HIS 58 0.134 6.215 5.517
449 HB2 HIS 58 1HB HIS 58 -1.958 7.514 4.638
450 HB3 HIS 58 2HB HIS 58 -1.805 8.436 6.121
451 HD2 HIS 58 2HD HIS 58 -0.317 8.354 2.599
452 HE1 HIS 58 1HE HIS 58 2.240 10.855 4.904
453 HE2 HIS 58 2HE HIS 58 1.633 9.993 2.541
454 H HIS 59 H HIS 59 1.744 6.468 6.980
455 HA HIS 59 HA HIS 59 1.238 6.352 9.707
456 HB2 HIS 59 1HB HIS 59 3.340 5.713 8.416
457 HB3 HIS 59 2HB HIS 59 3.758 7.415 8.415
458 HD1 HIS 59 1HD HIS 59 4.921 4.683 10.067
459 HD2 HIS 59 2HD HIS 59 3.170 8.204 11.527
460 HE1 HIS 59 1HE HIS 59 5.691 4.914 12.489
461 H THR 60 H THR 60 2.729 9.142 7.909
462 HA THR 60 HA THR 60 2.475 11.003 9.895
463 HB THR 60 HB THR 60 2.246 11.303 6.854
464 HG1 THR 60 1HG THR 60 4.610 11.767 7.348
465 HG21 THR 60 1HG2 THR 60 3.481 13.349 8.707
466 HG22 THR 60 2HG2 THR 60 2.764 13.582 7.095
467 HG23 THR 60 3HG2 THR 60 1.712 13.355 8.512
468 H SER 61 H SER 61 0.112 10.641 7.160
469 HA SER 61 HA SER 61 -1.719 12.365 8.218
470 HB2 SER 61 1HB SER 61 -1.591 10.421 6.076
471 HB3 SER 61 2HB SER 61 -3.149 10.280 6.865
472 HG SER 61 HG SER 61 -2.001 12.536 5.517
473 H GLY 62 H GLY 62 -2.040 8.733 8.213
474 HA2 GLY 62 1HA GLY 62 -2.401 7.498 10.202
475 HA3 GLY 62 2HA GLY 62 -3.142 8.904 10.941
476 H GLN 63 H GLN 63 -4.036 8.557 7.619
477 HA GLN 63 HA GLN 63 -6.638 7.643 8.495
478 HB2 GLN 63 1HB GLN 63 -5.962 8.631 5.708
479 HB3 GLN 63 2HB GLN 63 -7.515 8.648 6.519
480 HG2 GLN 63 1HG GLN 63 -6.792 10.393 8.054
481 HG3 GLN 63 2HG GLN 63 -5.125 10.246 7.535
482 HE21 GLN 63 1HE2 GLN 63 -4.449 11.734 6.210
483 HE22 GLN 63 2HE2 GLN 63 -5.384 12.627 5.056
484 H GLU 64 H GLU 64 -7.814 6.326 6.528
485 HA GLU 64 HA GLU 64 -5.905 4.318 5.636
486 HB2 GLU 64 1HB GLU 64 -8.652 3.731 6.826
487 HB3 GLU 64 2HB GLU 64 -7.542 2.536 6.185
488 HG2 GLU 64 1HG GLU 64 -6.033 2.762 7.974
489 HG3 GLU 64 2HG GLU 64 -6.530 4.405 8.328
490 H GLY 65 H GLY 65 -5.974 4.148 3.441
491 HA2 GLY 65 1HA GLY 65 -8.570 4.310 2.100
492 HA3 GLY 65 2HA GLY 65 -7.349 5.485 1.651
493 H LEU 66 H LEU 66 -8.317 3.710 -0.274
494 HA LEU 66 HA LEU 66 -6.635 1.408 -0.431
495 HB2 LEU 66 1HB LEU 66 -8.434 2.711 -2.480
496 HB3 LEU 66 2HB LEU 66 -7.661 1.148 -2.651
497 HG LEU 66 HG LEU 66 -9.504 1.695 -0.332
498 HD11 LEU 66 1HD1 LEU 66 -11.254 0.523 -1.871
499 HD12 LEU 66 2HD1 LEU 66 -10.986 2.277 -2.003
500 HD13 LEU 66 3HD1 LEU 66 -10.254 1.173 -3.192
501 HD21 LEU 66 1HD2 LEU 66 -9.813 -0.699 -0.334
502 HD22 LEU 66 2HD2 LEU 66 -8.848 -0.861 -1.821
503 HD23 LEU 66 3HD2 LEU 66 -8.072 -0.326 -0.310
504 H LEU 67 H LEU 67 -5.111 1.029 -2.278
505 HA LEU 67 HA LEU 67 -3.910 3.503 -3.258
506 HB2 LEU 67 1HB LEU 67 -2.836 1.911 -1.162
507 HB3 LEU 67 2HB LEU 67 -1.832 1.665 -2.576
508 HG LEU 67 HG LEU 67 -2.561 4.446 -1.673
509 HD11 LEU 67 1HD1 LEU 67 -0.888 2.527 -0.251
510 HD12 LEU 67 2HD1 LEU 67 -0.002 4.002 -0.707
511 HD13 LEU 67 3HD1 LEU 67 -1.495 4.122 0.255
512 HD21 LEU 67 1HD2 LEU 67 -0.706 3.218 -3.619
513 HD22 LEU 67 2HD2 LEU 67 -1.516 4.803 -3.634
514 HD23 LEU 67 3HD2 LEU 67 -0.042 4.567 -2.665
515 H ALA 68 H ALA 68 -2.442 3.099 -5.134
516 HA ALA 68 HA ALA 68 -3.638 1.086 -6.807
517 HB1 ALA 68 1HB ALA 68 -2.207 3.596 -7.097
518 HB2 ALA 68 2HB ALA 68 -1.478 2.342 -8.129
519 HB3 ALA 68 3HB ALA 68 -3.209 2.726 -8.283
520 H ALA 69 H ALA 69 -2.933 -0.984 -6.857
521 HA ALA 69 HA ALA 69 -0.742 -1.916 -5.495
522 HB1 ALA 69 1HB ALA 69 -2.119 -3.035 -7.971
523 HB2 ALA 69 2HB ALA 69 -1.049 -3.956 -6.886
524 HB3 ALA 69 3HB ALA 69 -2.596 -3.316 -6.279
525 H GLY 70 H GLY 70 -0.966 -0.360 -8.667
526 HA2 GLY 70 1HA GLY 70 1.796 -1.110 -9.312
527 HA3 GLY 70 2HA GLY 70 0.625 -0.358 -10.378
528 H ALA 71 H ALA 71 1.285 0.663 -6.993
529 HA ALA 71 HA ALA 71 2.883 2.892 -7.921
530 HB1 ALA 71 1HB ALA 71 0.029 3.092 -7.050
531 HB2 ALA 71 2HB ALA 71 1.157 4.318 -6.422
532 HB3 ALA 71 3HB ALA 71 0.954 4.111 -8.178
533 H LEU 72 H LEU 72 3.043 0.366 -6.214
534 HA LEU 72 HA LEU 72 3.958 1.739 -3.789
535 HB2 LEU 72 1HB LEU 72 2.587 -0.951 -3.875
536 HB3 LEU 72 2HB LEU 72 3.225 -0.149 -2.453
537 HG LEU 72 HG LEU 72 1.079 1.153 -4.122
538 HD11 LEU 72 1HD1 LEU 72 0.511 -1.264 -3.373
539 HD12 LEU 72 2HD1 LEU 72 0.399 -0.557 -1.743
540 HD13 LEU 72 3HD1 LEU 72 -0.652 0.044 -3.048
541 HD21 LEU 72 1HD2 LEU 72 1.765 2.742 -2.640
542 HD22 LEU 72 2HD2 LEU 72 0.551 1.917 -1.633
543 HD23 LEU 72 3HD2 LEU 72 2.279 1.551 -1.420
544 H ARG 73 H ARG 73 5.908 0.939 -2.887
545 HA ARG 73 HA ARG 73 7.166 -1.157 -4.444
546 HB2 ARG 73 1HB ARG 73 9.314 0.153 -4.445
547 HB3 ARG 73 2HB ARG 73 8.050 0.943 -5.365
548 HG2 ARG 73 1HG ARG 73 8.345 2.794 -4.091
549 HG3 ARG 73 2HG ARG 73 7.716 1.903 -2.719
550 HD2 ARG 73 1HD ARG 73 9.841 1.429 -1.863
551 HD3 ARG 73 2HD ARG 73 10.601 1.433 -3.442
552 HE ARG 73 HE ARG 73 10.210 3.739 -1.697
553 HH11 ARG 73 2HH2 ARG 73 10.608 2.735 -5.046
554 HH12 ARG 73 1HH2 ARG 73 11.220 4.270 -5.567
555 HH21 ARG 73 2HH1 ARG 73 11.018 5.763 -2.383
556 HH22 ARG 73 1HH1 ARG 73 11.455 6.004 -4.042
557 H GLU 74 H GLU 74 9.383 -1.788 -3.242
558 HA GLU 74 HA GLU 74 8.614 -2.159 -0.493
559 HB2 GLU 74 1HB GLU 74 9.576 -3.944 -2.205
560 HB3 GLU 74 2HB GLU 74 11.131 -3.298 -1.720
561 HG2 GLU 74 1HG GLU 74 10.031 -3.612 0.746
562 HG3 GLU 74 2HG GLU 74 9.129 -4.850 -0.105
563 H ARG 75 H ARG 75 9.152 -0.503 0.879
564 HA ARG 75 HA ARG 75 10.842 1.478 0.493
565 HB2 ARG 75 1HB ARG 75 9.359 1.112 2.515
566 HB3 ARG 75 2HB ARG 75 10.554 0.005 3.161
567 HG2 ARG 75 1HG ARG 75 12.263 1.870 3.088
568 HG3 ARG 75 2HG ARG 75 11.004 2.964 2.551
569 HD2 ARG 75 1HD ARG 75 9.744 2.646 4.631
570 HD3 ARG 75 2HD ARG 75 10.823 1.366 5.148
571 HE ARG 75 HE ARG 75 12.208 3.893 4.611
572 HH11 ARG 75 2HH2 ARG 75 10.475 2.011 7.028
573 HH12 ARG 75 1HH2 ARG 75 11.194 2.836 8.371
574 HH21 ARG 75 2HH1 ARG 75 13.157 4.981 6.382
575 HH22 ARG 75 1HH1 ARG 75 12.730 4.536 8.001
576 H SER 76 H SER 76 11.748 -1.629 2.170
577 HA SER 76 HA SER 76 13.646 -2.638 2.461
578 HB2 SER 76 1HB SER 76 13.601 -2.189 -0.182
579 HB3 SER 76 2HB SER 76 14.997 -1.195 0.185
580 HG SER 76 HG SER 76 15.924 -3.112 1.285
581 H GLY 77 H GLY 77 14.777 -2.077 4.286
582 HA2 GLY 77 1HA GLY 77 16.656 0.151 4.120
583 HA3 GLY 77 2HA GLY 77 15.391 0.273 5.326
584 HA PRO 78 HA PRO 78 18.877 -2.431 6.803
585 HB2 PRO 78 1HB PRO 78 20.413 -0.669 8.221
586 HB3 PRO 78 2HB PRO 78 20.793 -1.172 6.586
587 HG2 PRO 78 1HG PRO 78 19.666 1.396 7.520
588 HG3 PRO 78 2HG PRO 78 20.439 1.028 5.990
589 HD2 PRO 78 1HD PRO 78 17.626 1.329 6.463
590 HD3 PRO 78 2HD PRO 78 18.390 0.847 4.962
591 H SER 79 H SER 79 17.638 -3.640 8.126
592 HA SER 79 HA SER 79 17.033 -2.267 10.627
593 HB2 SER 79 1HB SER 79 15.237 -3.557 8.750
594 HB3 SER 79 2HB SER 79 15.203 -4.438 10.264
595 HG SER 79 HG SER 79 15.107 -1.602 10.442
596 H SER 80 H SER 80 19.077 -3.117 11.475
597 HA SER 80 HA SER 80 20.328 -4.548 12.521
598 HB2 SER 80 1HB SER 80 17.862 -4.995 13.526
599 HB3 SER 80 2HB SER 80 18.144 -6.587 12.850
600 HG SER 80 HG SER 80 20.397 -5.771 14.181
601 H GLY 81 H GLY 81 21.702 -5.157 10.782
602 HA2 GLY 81 1HA GLY 81 22.726 -7.084 9.874
603 HA3 GLY 81 2HA GLY 81 21.155 -7.838 9.693
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -13.658 -24.917 19.852
2 HA2 GLY 1 1HA GLY 1 -13.593 -23.834 17.797
3 HA3 GLY 1 2HA GLY 1 -13.788 -22.282 18.585
4 H SER 2 H SER 2 -11.541 -24.583 17.292
5 HA SER 2 HA SER 2 -9.452 -22.771 17.418
6 HB2 SER 2 1HB SER 2 -7.900 -24.059 18.936
7 HB3 SER 2 2HB SER 2 -9.227 -23.276 19.770
8 HG SER 2 HG SER 2 -9.329 -25.294 20.615
9 H SER 3 H SER 3 -9.435 -23.391 15.176
10 HA SER 3 HA SER 3 -7.767 -25.583 14.647
11 HB2 SER 3 1HB SER 3 -9.305 -26.938 13.282
12 HB3 SER 3 2HB SER 3 -9.871 -26.854 14.939
13 HG SER 3 HG SER 3 -11.260 -26.247 12.761
14 H GLY 4 H GLY 4 -6.462 -24.511 13.203
15 HA2 GLY 4 1HA GLY 4 -7.587 -23.544 10.734
16 HA3 GLY 4 2HA GLY 4 -7.001 -22.265 11.778
17 H SER 5 H SER 5 -5.881 -22.945 9.191
18 HA SER 5 HA SER 5 -3.223 -23.673 10.113
19 HB2 SER 5 1HB SER 5 -4.792 -24.882 7.833
20 HB3 SER 5 2HB SER 5 -3.053 -24.739 7.672
21 HG SER 5 HG SER 5 -4.234 -25.918 10.023
22 H SER 6 H SER 6 -1.524 -23.012 8.338
23 HA SER 6 HA SER 6 -2.368 -21.041 6.503
24 HB2 SER 6 1HB SER 6 -1.763 -20.162 9.175
25 HB3 SER 6 2HB SER 6 -0.462 -19.616 8.136
26 HG SER 6 HG SER 6 -1.821 -18.322 7.007
27 H GLY 7 H GLY 7 -1.199 -22.498 5.093
28 HA2 GLY 7 1HA GLY 7 1.735 -22.427 5.479
29 HA3 GLY 7 2HA GLY 7 0.866 -23.797 4.816
30 H ARG 8 H ARG 8 1.663 -20.325 4.267
31 HA ARG 8 HA ARG 8 1.618 -20.929 1.441
32 HB2 ARG 8 1HB ARG 8 -0.015 -18.830 2.865
33 HB3 ARG 8 2HB ARG 8 0.662 -18.394 1.309
34 HG2 ARG 8 1HG ARG 8 -0.417 -20.352 0.247
35 HG3 ARG 8 2HG ARG 8 -1.018 -20.897 1.800
36 HD2 ARG 8 1HD ARG 8 -2.136 -18.495 1.921
37 HD3 ARG 8 2HD ARG 8 -1.882 -18.477 0.188
38 HE ARG 8 HE ARG 8 -3.063 -20.960 0.691
39 HH11 ARG 8 2HH2 ARG 8 -3.934 -17.602 1.277
40 HH12 ARG 8 1HH2 ARG 8 -5.639 -17.894 1.180
41 HH21 ARG 8 2HH1 ARG 8 -5.312 -21.346 0.563
42 HH22 ARG 8 1HH1 ARG 8 -6.428 -20.038 0.772
43 H MET 9 H MET 9 3.223 -19.772 0.244
44 HA MET 9 HA MET 9 5.079 -18.337 1.953
45 HB2 MET 9 1HB MET 9 5.276 -20.212 -0.284
46 HB3 MET 9 2HB MET 9 6.122 -18.735 -0.703
47 HG2 MET 9 1HG MET 9 7.219 -18.928 1.675
48 HG3 MET 9 2HG MET 9 6.635 -20.581 1.661
49 HE1 MET 9 1HE MET 9 8.491 -22.407 0.957
50 HE2 MET 9 2HE MET 9 10.086 -21.644 0.745
51 HE3 MET 9 3HE MET 9 9.029 -21.140 2.086
52 HA PRO 10 HA PRO 10 4.264 -14.588 -0.076
53 HB2 PRO 10 1HB PRO 10 6.612 -13.233 0.271
54 HB3 PRO 10 2HB PRO 10 5.395 -13.380 1.524
55 HG2 PRO 10 1HG PRO 10 7.990 -14.777 1.288
56 HG3 PRO 10 2HG PRO 10 6.973 -14.581 2.702
57 HD2 PRO 10 1HD PRO 10 7.245 -16.943 1.098
58 HD3 PRO 10 2HD PRO 10 6.144 -16.709 2.441
59 H THR 11 H THR 11 3.839 -15.388 -2.168
60 HA THR 11 HA THR 11 5.930 -15.919 -3.954
61 HB THR 11 HB THR 11 2.983 -15.162 -4.243
62 HG1 THR 11 1HG THR 11 4.725 -17.513 -4.448
63 HG21 THR 11 1HG2 THR 11 3.329 -16.306 -6.556
64 HG22 THR 11 2HG2 THR 11 3.865 -14.614 -6.418
65 HG23 THR 11 3HG2 THR 11 5.057 -15.934 -6.345
66 H ARG 12 H ARG 12 3.825 -12.965 -3.747
67 HA ARG 12 HA ARG 12 6.146 -11.413 -4.363
68 HB2 ARG 12 1HB ARG 12 4.194 -12.123 -6.411
69 HB3 ARG 12 2HB ARG 12 4.145 -10.392 -6.143
70 HG2 ARG 12 1HG ARG 12 6.817 -10.640 -6.220
71 HG3 ARG 12 2HG ARG 12 6.439 -12.099 -7.114
72 HD2 ARG 12 1HD ARG 12 5.512 -10.931 -8.918
73 HD3 ARG 12 2HD ARG 12 4.989 -9.586 -7.924
74 HE ARG 12 HE ARG 12 7.911 -9.880 -8.108
75 HH11 ARG 12 2HH2 ARG 12 5.038 -8.399 -9.498
76 HH12 ARG 12 1HH2 ARG 12 5.915 -7.122 -10.273
77 HH21 ARG 12 2HH1 ARG 12 9.069 -8.196 -9.130
78 HH22 ARG 12 1HH1 ARG 12 8.223 -7.006 -10.062
79 H ARG 13 H ARG 13 2.501 -11.278 -4.347
80 HA ARG 13 HA ARG 13 2.073 -8.783 -3.646
81 HB2 ARG 13 1HB ARG 13 0.030 -9.542 -2.469
82 HB3 ARG 13 2HB ARG 13 0.297 -10.519 -3.899
83 HG2 ARG 13 1HG ARG 13 -0.118 -12.194 -2.330
84 HG3 ARG 13 2HG ARG 13 1.630 -12.103 -2.228
85 HD2 ARG 13 1HD ARG 13 1.405 -11.682 -0.006
86 HD3 ARG 13 2HD ARG 13 0.734 -10.118 -0.425
87 HE ARG 13 HE ARG 13 -1.384 -10.905 0.170
88 HH11 ARG 13 2HH2 ARG 13 0.723 -13.659 -0.429
89 HH12 ARG 13 1HH2 ARG 13 -0.442 -14.827 0.096
90 HH21 ARG 13 2HH1 ARG 13 -2.922 -12.446 0.864
91 HH22 ARG 13 1HH1 ARG 13 -2.530 -14.133 0.837
92 H TRP 14 H TRP 14 1.820 -7.555 -1.618
93 HA TRP 14 HA TRP 14 3.799 -8.361 0.344
94 HB2 TRP 14 1HB TRP 14 2.254 -5.807 -0.109
95 HB3 TRP 14 2HB TRP 14 3.322 -6.061 1.257
96 HD1 TRP 14 HD TRP 14 5.982 -6.978 0.248
97 HE1 TRP 14 1HE TRP 14 7.486 -5.814 -1.581
98 HE3 TRP 14 3HE TRP 14 2.207 -4.381 -1.954
99 HZ2 TRP 14 2HZ TRP 14 6.939 -3.978 -3.697
100 HZ3 TRP 14 3HZ TRP 14 2.777 -2.926 -3.896
101 HH2 TRP 14 HH TRP 14 5.048 -2.701 -4.771
102 H ALA 15 H ALA 15 3.286 -8.640 2.596
103 HA ALA 15 HA ALA 15 0.548 -9.529 2.996
104 HB1 ALA 15 1HB ALA 15 3.205 -10.220 3.982
105 HB2 ALA 15 2HB ALA 15 2.063 -9.964 5.323
106 HB3 ALA 15 3HB ALA 15 1.692 -11.155 4.052
107 HA PRO 16 HA PRO 16 -0.523 -6.223 5.574
108 HB2 PRO 16 1HB PRO 16 -1.941 -7.357 7.617
109 HB3 PRO 16 2HB PRO 16 -2.613 -7.079 6.023
110 HG2 PRO 16 1HG PRO 16 -1.726 -9.621 7.242
111 HG3 PRO 16 2HG PRO 16 -2.770 -9.374 5.857
112 HD2 PRO 16 1HD PRO 16 -0.012 -10.160 5.809
113 HD3 PRO 16 2HD PRO 16 -1.024 -9.800 4.424
114 H GLY 17 H GLY 17 0.864 -4.907 6.556
115 HA2 GLY 17 1HA GLY 17 1.605 -4.437 8.867
116 HA3 GLY 17 2HA GLY 17 2.216 -6.079 8.915
117 H THR 18 H THR 18 2.747 -5.415 5.771
118 HA THR 18 HA THR 18 5.504 -4.673 6.275
119 HB THR 18 HB THR 18 3.905 -5.610 3.840
120 HG1 THR 18 1HG THR 18 5.567 -7.394 4.325
121 HG21 THR 18 1HG2 THR 18 6.921 -5.596 3.931
122 HG22 THR 18 2HG2 THR 18 5.837 -5.530 2.520
123 HG23 THR 18 3HG2 THR 18 6.108 -4.071 3.504
124 H GLN 19 H GLN 19 6.557 -2.829 5.594
125 HA GLN 19 HA GLN 19 4.761 -0.633 5.121
126 HB2 GLN 19 1HB GLN 19 7.731 -0.811 5.760
127 HB3 GLN 19 2HB GLN 19 6.951 0.710 5.373
128 HG2 GLN 19 1HG GLN 19 5.271 0.223 7.242
129 HG3 GLN 19 2HG GLN 19 6.256 -1.156 7.687
130 HE21 GLN 19 1HE2 GLN 19 5.839 0.703 9.539
131 HE22 GLN 19 2HE2 GLN 19 7.251 1.656 9.853
132 H CYS 20 H CYS 20 4.311 0.115 3.097
133 HA CYS 20 HA CYS 20 6.229 -0.587 0.999
134 HB2 CYS 20 1HB CYS 20 3.224 -0.262 0.929
135 HB3 CYS 20 2HB CYS 20 4.192 -0.190 -0.530
136 HG CYS 20 HG CYS 20 3.724 -2.600 1.657
137 H ILE 21 H ILE 21 6.575 1.103 -0.685
138 HA ILE 21 HA ILE 21 6.024 3.788 0.376
139 HB ILE 21 HB ILE 21 8.412 3.021 -1.290
140 HG12 ILE 21 1HG1 ILE 21 8.672 1.678 0.644
141 HG13 ILE 21 2HG1 ILE 21 9.692 3.084 0.877
142 HG21 ILE 21 1HG2 ILE 21 7.995 5.383 0.555
143 HG22 ILE 21 2HG2 ILE 21 9.314 5.119 -0.610
144 HG23 ILE 21 3HG2 ILE 21 7.658 5.414 -1.193
145 HD11 ILE 21 1HD1 ILE 21 7.356 2.197 2.430
146 HD12 ILE 21 2HD1 ILE 21 8.648 3.336 2.879
147 HD13 ILE 21 3HD1 ILE 21 7.240 3.907 1.951
148 H THR 22 H THR 22 5.712 5.484 -1.262
149 HA THR 22 HA THR 22 4.223 4.410 -3.508
150 HB THR 22 HB THR 22 3.556 6.843 -3.713
151 HG1 THR 22 1HG THR 22 4.657 8.281 -2.340
152 HG21 THR 22 1HG2 THR 22 2.806 7.076 -1.160
153 HG22 THR 22 2HG2 THR 22 2.059 5.832 -2.191
154 HG23 THR 22 3HG2 THR 22 3.360 5.388 -1.060
155 H LYS 23 H LYS 23 4.679 4.665 -5.674
156 HA LYS 23 HA LYS 23 7.470 5.111 -6.227
157 HB2 LYS 23 1HB LYS 23 5.110 4.080 -7.788
158 HB3 LYS 23 2HB LYS 23 6.586 4.537 -8.612
159 HG2 LYS 23 1HG LYS 23 7.870 3.009 -7.037
160 HG3 LYS 23 2HG LYS 23 6.339 2.483 -6.365
161 HD2 LYS 23 1HD LYS 23 6.696 2.356 -9.361
162 HD3 LYS 23 2HD LYS 23 7.514 1.155 -8.382
163 HE2 LYS 23 1HE LYS 23 4.993 1.130 -7.243
164 HE3 LYS 23 2HE LYS 23 4.601 1.502 -8.910
165 HZ1 LYS 23 1HZ LYS 23 6.486 -0.474 -9.013
166 HZ2 LYS 23 2HZ LYS 23 5.470 -0.929 -7.818
167 HZ3 LYS 23 3HZ LYS 23 4.888 -0.628 -9.314
168 H CYS 24 H CYS 24 4.385 6.822 -6.447
169 HA CYS 24 HA CYS 24 5.871 9.102 -7.492
170 HB2 CYS 24 1HB CYS 24 3.250 8.068 -8.611
171 HB3 CYS 24 2HB CYS 24 3.847 9.690 -8.901
172 HG CYS 24 HG CYS 24 4.566 8.593 -11.009
173 H GLU 25 H GLU 25 4.160 11.118 -7.294
174 HA GLU 25 HA GLU 25 3.184 10.889 -4.569
175 HB2 GLU 25 1HB GLU 25 3.430 13.279 -4.409
176 HB3 GLU 25 2HB GLU 25 4.886 12.668 -5.168
177 HG2 GLU 25 1HG GLU 25 3.096 13.144 -7.317
178 HG3 GLU 25 2HG GLU 25 2.876 14.510 -6.242
179 H HIS 26 H HIS 26 1.033 11.474 -4.000
180 HA HIS 26 HA HIS 26 -0.709 12.069 -6.272
181 HB2 HIS 26 1HB HIS 26 -0.611 9.587 -5.262
182 HB3 HIS 26 2HB HIS 26 -1.736 10.284 -4.113
183 HD1 HIS 26 1HD HIS 26 -1.592 11.070 -7.851
184 HD2 HIS 26 2HD HIS 26 -4.095 9.209 -5.046
185 HE1 HIS 26 1HE HIS 26 -3.759 10.520 -9.081
186 H THR 27 H THR 27 -1.340 14.141 -5.875
187 HA THR 27 HA THR 27 -1.783 14.942 -3.105
188 HB THR 27 HB THR 27 -2.012 17.226 -4.324
189 HG1 THR 27 1HG THR 27 -2.447 16.389 -6.439
190 HG21 THR 27 1HG2 THR 27 0.578 16.624 -5.326
191 HG22 THR 27 2HG2 THR 27 0.197 17.348 -3.745
192 HG23 THR 27 3HG2 THR 27 0.379 15.584 -3.896
193 H ARG 28 H ARG 28 -3.536 14.435 -6.189
194 HA ARG 28 HA ARG 28 -5.963 14.860 -4.636
195 HB2 ARG 28 1HB ARG 28 -5.452 15.348 -7.613
196 HB3 ARG 28 2HB ARG 28 -7.045 15.415 -6.885
197 HG2 ARG 28 1HG ARG 28 -4.813 17.065 -5.676
198 HG3 ARG 28 2HG ARG 28 -5.579 17.626 -7.149
199 HD2 ARG 28 1HD ARG 28 -7.172 16.845 -4.664
200 HD3 ARG 28 2HD ARG 28 -6.609 18.480 -4.949
201 HE ARG 28 HE ARG 28 -7.953 17.631 -7.308
202 HH11 ARG 28 2HH2 ARG 28 -8.704 18.334 -3.943
203 HH12 ARG 28 1HH2 ARG 28 -10.337 18.806 -4.273
204 HH21 ARG 28 2HH1 ARG 28 -10.108 18.254 -7.744
205 HH22 ARG 28 1HH1 ARG 28 -11.141 18.760 -6.449
206 HA PRO 29 HA PRO 29 -6.074 10.549 -5.881
207 HB2 PRO 29 1HB PRO 29 -7.349 9.606 -3.655
208 HB3 PRO 29 2HB PRO 29 -5.604 9.694 -3.795
209 HG2 PRO 29 1HG PRO 29 -7.430 11.435 -2.255
210 HG3 PRO 29 2HG PRO 29 -5.698 11.234 -2.080
211 HD2 PRO 29 1HD PRO 29 -7.053 13.434 -3.326
212 HD3 PRO 29 2HD PRO 29 -5.321 13.175 -3.253
213 H LYS 30 H LYS 30 -7.948 8.854 -5.953
214 HA LYS 30 HA LYS 30 -9.949 10.127 -7.459
215 HB2 LYS 30 1HB LYS 30 -9.087 7.452 -6.848
216 HB3 LYS 30 2HB LYS 30 -10.825 7.548 -6.649
217 HG2 LYS 30 1HG LYS 30 -10.633 8.931 -8.967
218 HG3 LYS 30 2HG LYS 30 -9.168 7.983 -9.125
219 HD2 LYS 30 1HD LYS 30 -10.732 5.944 -8.461
220 HD3 LYS 30 2HD LYS 30 -12.034 7.014 -8.940
221 HE2 LYS 30 1HE LYS 30 -11.370 5.658 -10.871
222 HE3 LYS 30 2HE LYS 30 -10.942 7.329 -11.178
223 HZ1 LYS 30 1HZ LYS 30 -8.794 6.202 -9.896
224 HZ2 LYS 30 2HZ LYS 30 -9.257 5.106 -11.015
225 HZ3 LYS 30 3HZ LYS 30 -8.891 6.632 -11.469
226 HA PRO 31 HA PRO 31 -13.033 10.920 -4.533
227 HB2 PRO 31 1HB PRO 31 -15.361 9.936 -5.573
228 HB3 PRO 31 2HB PRO 31 -14.630 11.435 -6.110
229 HG2 PRO 31 1HG PRO 31 -14.682 8.808 -7.465
230 HG3 PRO 31 2HG PRO 31 -14.346 10.388 -8.146
231 HD2 PRO 31 1HD PRO 31 -12.430 8.351 -7.507
232 HD3 PRO 31 2HD PRO 31 -12.086 9.971 -8.079
233 H GLY 32 H GLY 32 -12.265 9.881 -2.697
234 HA2 GLY 32 1HA GLY 32 -13.322 8.602 -0.945
235 HA3 GLY 32 2HA GLY 32 -13.791 7.410 -2.141
236 H GLU 33 H GLU 33 -10.617 8.936 -2.442
237 HA GLU 33 HA GLU 33 -9.456 6.453 -1.439
238 HB2 GLU 33 1HB GLU 33 -8.802 8.141 -3.856
239 HB3 GLU 33 2HB GLU 33 -7.516 7.229 -3.091
240 HG2 GLU 33 1HG GLU 33 -8.907 5.138 -3.295
241 HG3 GLU 33 2HG GLU 33 -10.148 6.064 -4.116
242 H LEU 34 H LEU 34 -6.905 6.910 -0.997
243 HA LEU 34 HA LEU 34 -6.907 9.233 0.783
244 HB2 LEU 34 1HB LEU 34 -6.518 7.380 2.080
245 HB3 LEU 34 2HB LEU 34 -5.616 6.544 0.831
246 HG LEU 34 HG LEU 34 -3.883 8.525 1.242
247 HD11 LEU 34 1HD1 LEU 34 -5.200 9.766 2.835
248 HD12 LEU 34 2HD1 LEU 34 -5.370 8.331 3.875
249 HD13 LEU 34 3HD1 LEU 34 -3.774 9.088 3.656
250 HD21 LEU 34 1HD2 LEU 34 -4.147 5.813 2.073
251 HD22 LEU 34 2HD2 LEU 34 -2.665 6.758 1.790
252 HD23 LEU 34 3HD2 LEU 34 -3.410 6.733 3.407
253 H ALA 35 H ALA 35 -5.002 10.611 0.876
254 HA ALA 35 HA ALA 35 -3.684 10.714 -1.740
255 HB1 ALA 35 1HB ALA 35 -3.502 13.050 -1.411
256 HB2 ALA 35 2HB ALA 35 -5.121 12.645 -0.792
257 HB3 ALA 35 3HB ALA 35 -3.776 12.913 0.342
258 H PHE 36 H PHE 36 -1.356 11.392 -1.737
259 HA PHE 36 HA PHE 36 0.151 11.252 0.628
260 HB2 PHE 36 1HB PHE 36 1.287 9.030 -0.041
261 HB3 PHE 36 2HB PHE 36 -0.354 8.853 0.545
262 HD1 PHE 36 2HD PHE 36 1.765 8.826 -2.463
263 HD2 PHE 36 1HD PHE 36 -2.105 8.076 -0.891
264 HE1 PHE 36 2HE PHE 36 1.139 7.626 -4.577
265 HE2 PHE 36 1HE PHE 36 -2.731 6.876 -3.005
266 HZ PHE 36 HZ PHE 36 -1.102 6.665 -4.822
267 H ARG 37 H ARG 37 2.540 11.319 0.155
268 HA ARG 37 HA ARG 37 2.887 12.495 -2.476
269 HB2 ARG 37 1HB ARG 37 4.322 12.870 0.184
270 HB3 ARG 37 2HB ARG 37 5.073 13.392 -1.311
271 HG2 ARG 37 1HG ARG 37 2.299 14.275 -0.381
272 HG3 ARG 37 2HG ARG 37 3.762 15.213 -0.151
273 HD2 ARG 37 1HD ARG 37 3.989 14.804 -2.819
274 HD3 ARG 37 2HD ARG 37 2.249 14.645 -2.693
275 HE ARG 37 HE ARG 37 2.089 16.940 -2.254
276 HH11 ARG 37 2HH2 ARG 37 5.415 15.899 -1.768
277 HH12 ARG 37 1HH2 ARG 37 6.022 17.508 -1.558
278 HH21 ARG 37 2HH1 ARG 37 2.889 19.062 -1.976
279 HH22 ARG 37 1HH1 ARG 37 4.576 19.319 -1.677
280 H LYS 38 H LYS 38 5.373 12.268 -3.232
281 HA LYS 38 HA LYS 38 5.803 9.498 -3.585
282 HB2 LYS 38 1HB LYS 38 6.311 11.255 -5.270
283 HB3 LYS 38 2HB LYS 38 7.610 11.841 -4.252
284 HG2 LYS 38 1HG LYS 38 8.380 9.274 -4.311
285 HG3 LYS 38 2HG LYS 38 7.419 9.239 -5.776
286 HD2 LYS 38 1HD LYS 38 8.885 11.596 -6.081
287 HD3 LYS 38 2HD LYS 38 10.029 10.547 -5.267
288 HE2 LYS 38 1HE LYS 38 9.271 8.747 -7.054
289 HE3 LYS 38 2HE LYS 38 8.662 10.128 -7.944
290 HZ1 LYS 38 1HZ LYS 38 10.787 10.016 -8.678
291 HZ2 LYS 38 2HZ LYS 38 11.014 11.044 -7.429
292 HZ3 LYS 38 3HZ LYS 38 11.405 9.467 -7.269
293 H GLY 39 H GLY 39 6.783 8.081 -2.251
294 HA2 GLY 39 1HA GLY 39 8.491 7.325 -0.904
295 HA3 GLY 39 2HA GLY 39 9.039 8.968 -0.637
296 H ASP 40 H ASP 40 5.738 7.518 -0.233
297 HA ASP 40 HA ASP 40 5.769 8.598 2.453
298 HB2 ASP 40 1HB ASP 40 3.766 9.293 1.516
299 HB3 ASP 40 2HB ASP 40 3.685 7.932 0.415
300 H VAL 41 H VAL 41 5.502 7.204 4.284
301 HA VAL 41 HA VAL 41 5.793 4.363 3.684
302 HB VAL 41 HB VAL 41 6.330 6.083 6.101
303 HG11 VAL 41 1HG1 VAL 41 5.576 3.307 6.077
304 HG12 VAL 41 2HG1 VAL 41 7.281 3.453 6.567
305 HG13 VAL 41 3HG1 VAL 41 6.021 4.341 7.456
306 HG21 VAL 41 1HG2 VAL 41 8.583 4.610 5.584
307 HG22 VAL 41 2HG2 VAL 41 7.933 4.863 3.946
308 HG23 VAL 41 3HG2 VAL 41 8.283 6.261 4.991
309 H VAL 42 H VAL 42 4.113 2.976 3.902
310 HA VAL 42 HA VAL 42 1.960 3.755 5.723
311 HB VAL 42 HB VAL 42 0.302 3.072 4.063
312 HG11 VAL 42 1HG1 VAL 42 1.305 5.476 4.298
313 HG12 VAL 42 2HG1 VAL 42 1.992 5.149 2.688
314 HG13 VAL 42 3HG1 VAL 42 0.229 5.098 2.931
315 HG21 VAL 42 1HG2 VAL 42 1.471 3.162 1.594
316 HG22 VAL 42 2HG2 VAL 42 2.715 2.310 2.539
317 HG23 VAL 42 3HG2 VAL 42 1.057 1.667 2.467
318 H THR 43 H THR 43 0.584 1.858 6.339
319 HA THR 43 HA THR 43 2.227 -0.585 6.293
320 HB THR 43 HB THR 43 0.256 0.580 8.323
321 HG1 THR 43 1HG THR 43 2.606 1.255 8.094
322 HG21 THR 43 1HG2 THR 43 1.028 -1.391 9.741
323 HG22 THR 43 2HG2 THR 43 -0.033 -1.860 8.391
324 HG23 THR 43 3HG2 THR 43 1.726 -2.106 8.268
325 H ILE 44 H ILE 44 1.477 -2.406 5.375
326 HA ILE 44 HA ILE 44 -0.863 -2.255 3.817
327 HB ILE 44 HB ILE 44 0.849 -4.616 4.604
328 HG12 ILE 44 1HG1 ILE 44 1.838 -2.538 3.344
329 HG13 ILE 44 2HG1 ILE 44 2.235 -4.167 2.836
330 HG21 ILE 44 1HG2 ILE 44 -0.095 -5.588 2.464
331 HG22 ILE 44 2HG2 ILE 44 -1.211 -5.498 3.848
332 HG23 ILE 44 3HG2 ILE 44 -1.329 -4.306 2.531
333 HD11 ILE 44 1HD1 ILE 44 0.382 -4.063 1.134
334 HD12 ILE 44 2HD1 ILE 44 0.089 -2.373 1.611
335 HD13 ILE 44 3HD1 ILE 44 1.641 -2.833 0.870
336 H LEU 45 H LEU 45 -2.923 -2.327 4.515
337 HA LEU 45 HA LEU 45 -3.446 -3.449 7.130
338 HB2 LEU 45 1HB LEU 45 -5.370 -2.141 5.210
339 HB3 LEU 45 2HB LEU 45 -5.604 -2.438 6.921
340 HG LEU 45 HG LEU 45 -3.357 -0.670 5.977
341 HD11 LEU 45 1HD1 LEU 45 -4.981 0.533 4.922
342 HD12 LEU 45 2HD1 LEU 45 -6.277 -0.056 5.991
343 HD13 LEU 45 3HD1 LEU 45 -5.150 1.195 6.565
344 HD21 LEU 45 1HD2 LEU 45 -4.695 0.149 8.389
345 HD22 LEU 45 2HD2 LEU 45 -4.254 -1.572 8.493
346 HD23 LEU 45 3HD2 LEU 45 -3.005 -0.354 8.143
347 H GLU 46 H GLU 46 -4.518 -3.923 3.697
348 HA GLU 46 HA GLU 46 -4.915 -6.705 4.378
349 HB2 GLU 46 1HB GLU 46 -7.095 -4.995 4.252
350 HB3 GLU 46 2HB GLU 46 -7.043 -5.625 2.618
351 HG2 GLU 46 1HG GLU 46 -7.942 -7.581 3.322
352 HG3 GLU 46 2HG GLU 46 -6.576 -7.842 4.389
353 H ALA 47 H ALA 47 -4.458 -8.130 2.652
354 HA ALA 47 HA ALA 47 -3.235 -6.820 0.352
355 HB1 ALA 47 1HB ALA 47 -1.850 -8.412 1.550
356 HB2 ALA 47 2HB ALA 47 -3.121 -9.655 1.455
357 HB3 ALA 47 3HB ALA 47 -2.288 -9.119 -0.024
358 H CYS 48 H CYS 48 -4.425 -6.559 -1.463
359 HA CYS 48 HA CYS 48 -5.845 -6.953 -3.092
360 HB2 CYS 48 1HB CYS 48 -4.796 -9.282 -3.026
361 HB3 CYS 48 2HB CYS 48 -6.207 -9.800 -2.124
362 HG CYS 48 HG CYS 48 -7.758 -8.362 -4.066
363 H GLU 49 H GLU 49 -7.858 -6.013 -3.030
364 HA GLU 49 HA GLU 49 -10.019 -7.168 -1.782
365 HB2 GLU 49 1HB GLU 49 -8.498 -6.145 0.203
366 HB3 GLU 49 2HB GLU 49 -9.370 -4.685 -0.221
367 HG2 GLU 49 1HG GLU 49 -10.853 -7.302 0.224
368 HG3 GLU 49 2HG GLU 49 -10.403 -6.288 1.581
369 H ASN 50 H ASN 50 -10.011 -6.404 -4.250
370 HA ASN 50 HA ASN 50 -11.976 -4.607 -4.558
371 HB2 ASN 50 1HB ASN 50 -9.433 -3.240 -4.089
372 HB3 ASN 50 2HB ASN 50 -9.998 -2.882 -5.709
373 HD21 ASN 50 1HD2 ASN 50 -10.506 -0.781 -5.300
374 HD22 ASN 50 2HD2 ASN 50 -11.834 -0.270 -4.313
375 H LYS 51 H LYS 51 -8.698 -4.580 -6.157
376 HA LYS 51 HA LYS 51 -8.943 -6.518 -7.981
377 HB2 LYS 51 1HB LYS 51 -10.847 -4.375 -8.614
378 HB3 LYS 51 2HB LYS 51 -9.766 -4.748 -9.941
379 HG2 LYS 51 1HG LYS 51 -10.931 -7.095 -8.476
380 HG3 LYS 51 2HG LYS 51 -12.048 -6.151 -9.442
381 HD2 LYS 51 1HD LYS 51 -10.251 -6.347 -11.343
382 HD3 LYS 51 2HD LYS 51 -9.556 -7.626 -10.367
383 HE2 LYS 51 1HE LYS 51 -11.756 -8.827 -10.379
384 HE3 LYS 51 2HE LYS 51 -12.447 -7.549 -11.359
385 HZ1 LYS 51 1HZ LYS 51 -11.562 -8.456 -13.143
386 HZ2 LYS 51 2HZ LYS 51 -10.058 -8.479 -12.505
387 HZ3 LYS 51 3HZ LYS 51 -11.073 -9.732 -12.249
388 H SER 52 H SER 52 -6.725 -6.023 -7.074
389 HA SER 52 HA SER 52 -4.661 -5.592 -7.703
390 HB2 SER 52 1HB SER 52 -5.735 -5.234 -10.098
391 HB3 SER 52 2HB SER 52 -5.482 -3.533 -9.763
392 HG SER 52 HG SER 52 -3.675 -5.342 -10.633
393 H TRP 53 H TRP 53 -5.786 -4.411 -5.505
394 HA TRP 53 HA TRP 53 -4.455 -1.817 -5.491
395 HB2 TRP 53 1HB TRP 53 -7.343 -2.278 -4.757
396 HB3 TRP 53 2HB TRP 53 -6.416 -0.930 -4.129
397 HD1 TRP 53 HD TRP 53 -7.123 -2.342 -7.720
398 HE1 TRP 53 1HE TRP 53 -7.549 -0.364 -9.414
399 HE3 TRP 53 3HE TRP 53 -6.411 1.395 -4.347
400 HZ2 TRP 53 2HZ TRP 53 -7.540 2.479 -9.158
401 HZ3 TRP 53 3HZ TRP 53 -6.638 3.744 -5.151
402 HH2 TRP 53 HH TRP 53 -7.182 4.313 -7.465
403 H TYR 54 H TYR 54 -4.481 -1.066 -3.000
404 HA TYR 54 HA TYR 54 -4.485 -3.322 -1.187
405 HB2 TYR 54 1HB TYR 54 -2.074 -1.755 -2.232
406 HB3 TYR 54 2HB TYR 54 -2.024 -2.377 -0.595
407 HD1 TYR 54 2HD TYR 54 -2.149 -4.861 -0.203
408 HD2 TYR 54 1HD TYR 54 -1.740 -3.190 -4.120
409 HE1 TYR 54 2HE TYR 54 -1.368 -7.112 -1.090
410 HE2 TYR 54 1HE TYR 54 -0.960 -5.446 -4.993
411 HH TYR 54 HH TYR 54 -0.081 -7.435 -4.303
412 H ARG 55 H ARG 55 -5.399 -2.621 0.674
413 HA ARG 55 HA ARG 55 -5.615 0.197 1.054
414 HB2 ARG 55 1HB ARG 55 -7.490 -1.479 1.505
415 HB3 ARG 55 2HB ARG 55 -6.568 -2.072 2.873
416 HG2 ARG 55 1HG ARG 55 -6.522 0.439 3.654
417 HG3 ARG 55 2HG ARG 55 -7.822 0.671 2.501
418 HD2 ARG 55 1HD ARG 55 -8.934 -1.409 3.688
419 HD3 ARG 55 2HD ARG 55 -7.800 -1.081 4.983
420 HE ARG 55 HE ARG 55 -9.129 0.729 5.600
421 HH11 ARG 55 2HH2 ARG 55 -9.680 0.058 2.191
422 HH12 ARG 55 1HH2 ARG 55 -10.908 1.267 2.020
423 HH21 ARG 55 2HH1 ARG 55 -10.749 2.325 5.376
424 HH22 ARG 55 1HH1 ARG 55 -11.520 2.565 3.844
425 H VAL 56 H VAL 56 -3.915 1.290 1.998
426 HA VAL 56 HA VAL 56 -2.483 -0.109 4.151
427 HB VAL 56 HB VAL 56 -0.536 1.138 3.548
428 HG11 VAL 56 1HG1 VAL 56 -1.391 0.361 0.808
429 HG12 VAL 56 2HG1 VAL 56 0.042 -0.122 1.748
430 HG13 VAL 56 3HG1 VAL 56 -1.533 -0.887 2.069
431 HG21 VAL 56 1HG2 VAL 56 -0.534 2.664 1.558
432 HG22 VAL 56 2HG2 VAL 56 -2.311 2.561 1.540
433 HG23 VAL 56 3HG2 VAL 56 -1.475 3.270 2.942
434 H LYS 57 H LYS 57 -1.464 1.548 5.759
435 HA LYS 57 HA LYS 57 -3.467 3.642 6.245
436 HB2 LYS 57 1HB LYS 57 -3.747 1.826 7.833
437 HB3 LYS 57 2HB LYS 57 -2.043 1.857 8.239
438 HG2 LYS 57 1HG LYS 57 -2.950 4.538 8.568
439 HG3 LYS 57 2HG LYS 57 -4.205 3.532 9.263
440 HD2 LYS 57 1HD LYS 57 -2.845 2.756 10.965
441 HD3 LYS 57 2HD LYS 57 -1.411 2.733 9.959
442 HE2 LYS 57 1HE LYS 57 -0.804 4.861 10.559
443 HE3 LYS 57 2HE LYS 57 -2.441 5.471 10.419
444 HZ1 LYS 57 1HZ LYS 57 -2.162 5.554 12.639
445 HZ2 LYS 57 2HZ LYS 57 -2.732 4.026 12.557
446 HZ3 LYS 57 3HZ LYS 57 -1.128 4.292 12.710
447 H HIS 58 H HIS 58 -2.682 5.676 6.175
448 HA HIS 58 HA HIS 58 0.056 6.103 5.725
449 HB2 HIS 58 1HB HIS 58 -2.124 7.473 5.096
450 HB3 HIS 58 2HB HIS 58 -1.779 8.304 6.600
451 HD2 HIS 58 2HD HIS 58 0.179 7.579 3.206
452 HE1 HIS 58 1HE HIS 58 1.590 11.221 4.894
453 HE2 HIS 58 2HE HIS 58 1.762 9.555 2.922
454 H HIS 59 H HIS 59 1.701 6.895 7.072
455 HA HIS 59 HA HIS 59 1.194 6.446 9.878
456 HB2 HIS 59 1HB HIS 59 3.486 6.354 8.076
457 HB3 HIS 59 2HB HIS 59 3.855 7.225 9.551
458 HD1 HIS 59 1HD HIS 59 5.403 5.326 10.422
459 HD2 HIS 59 2HD HIS 59 1.435 4.138 9.765
460 HE1 HIS 59 1HE HIS 59 5.152 3.037 11.519
461 H THR 60 H THR 60 2.600 9.061 7.780
462 HA THR 60 HA THR 60 2.899 10.986 9.711
463 HB THR 60 HB THR 60 2.320 10.972 6.731
464 HG1 THR 60 1HG THR 60 4.527 11.052 6.897
465 HG21 THR 60 1HG2 THR 60 1.992 13.264 8.571
466 HG22 THR 60 2HG2 THR 60 3.285 13.530 7.377
467 HG23 THR 60 3HG2 THR 60 1.632 13.160 6.831
468 H SER 61 H SER 61 0.011 10.733 7.522
469 HA SER 61 HA SER 61 -1.416 12.532 9.128
470 HB2 SER 61 1HB SER 61 -3.398 11.509 7.711
471 HB3 SER 61 2HB SER 61 -2.184 12.503 6.930
472 HG SER 61 HG SER 61 -1.573 10.828 5.748
473 H GLY 62 H GLY 62 -2.112 9.028 8.395
474 HA2 GLY 62 1HA GLY 62 -2.271 7.465 10.229
475 HA3 GLY 62 2HA GLY 62 -2.998 8.729 11.201
476 H GLN 63 H GLN 63 -3.830 8.481 7.763
477 HA GLN 63 HA GLN 63 -6.489 7.670 8.604
478 HB2 GLN 63 1HB GLN 63 -5.545 8.972 6.012
479 HB3 GLN 63 2HB GLN 63 -7.212 8.581 6.387
480 HG2 GLN 63 1HG GLN 63 -7.391 10.254 8.024
481 HG3 GLN 63 2HG GLN 63 -5.675 10.245 8.380
482 HE21 GLN 63 1HE2 GLN 63 -4.366 10.638 6.173
483 HE22 GLN 63 2HE2 GLN 63 -4.795 12.103 5.354
484 H GLU 64 H GLU 64 -7.628 6.544 6.422
485 HA GLU 64 HA GLU 64 -5.771 4.518 5.497
486 HB2 GLU 64 1HB GLU 64 -8.472 3.940 6.790
487 HB3 GLU 64 2HB GLU 64 -7.508 2.746 5.944
488 HG2 GLU 64 1HG GLU 64 -6.177 2.426 7.756
489 HG3 GLU 64 2HG GLU 64 -5.842 4.141 7.886
490 H GLY 65 H GLY 65 -5.997 4.119 3.320
491 HA2 GLY 65 1HA GLY 65 -8.581 4.615 2.047
492 HA3 GLY 65 2HA GLY 65 -7.230 5.606 1.532
493 H LEU 66 H LEU 66 -8.208 4.180 -0.477
494 HA LEU 66 HA LEU 66 -6.850 1.611 -0.572
495 HB2 LEU 66 1HB LEU 66 -8.875 2.981 -2.331
496 HB3 LEU 66 2HB LEU 66 -8.046 1.517 -2.822
497 HG LEU 66 HG LEU 66 -9.702 1.743 -0.296
498 HD11 LEU 66 1HD1 LEU 66 -10.487 1.187 -3.113
499 HD12 LEU 66 2HD1 LEU 66 -11.225 0.187 -1.839
500 HD13 LEU 66 3HD1 LEU 66 -11.397 1.958 -1.792
501 HD21 LEU 66 1HD2 LEU 66 -8.028 -0.018 -0.202
502 HD22 LEU 66 2HD2 LEU 66 -9.660 -0.716 -0.346
503 HD23 LEU 66 3HD2 LEU 66 -8.586 -0.662 -1.765
504 H LEU 67 H LEU 67 -5.099 1.147 -1.898
505 HA LEU 67 HA LEU 67 -4.019 3.457 -3.358
506 HB2 LEU 67 1HB LEU 67 -2.913 2.045 -1.146
507 HB3 LEU 67 2HB LEU 67 -1.945 1.669 -2.558
508 HG LEU 67 HG LEU 67 -2.629 4.513 -1.800
509 HD11 LEU 67 1HD1 LEU 67 0.028 4.064 -1.069
510 HD12 LEU 67 2HD1 LEU 67 -1.360 4.333 0.014
511 HD13 LEU 67 3HD1 LEU 67 -0.869 2.675 -0.410
512 HD21 LEU 67 1HD2 LEU 67 -0.391 4.844 -3.053
513 HD22 LEU 67 2HD2 LEU 67 -0.684 3.208 -3.689
514 HD23 LEU 67 3HD2 LEU 67 -1.863 4.506 -3.994
515 H ALA 68 H ALA 68 -2.692 2.890 -5.259
516 HA ALA 68 HA ALA 68 -3.892 0.642 -6.620
517 HB1 ALA 68 1HB ALA 68 -1.954 1.898 -8.250
518 HB2 ALA 68 2HB ALA 68 -3.717 2.135 -8.292
519 HB3 ALA 68 3HB ALA 68 -2.699 3.202 -7.296
520 H ALA 69 H ALA 69 -2.989 -1.351 -6.731
521 HA ALA 69 HA ALA 69 -0.702 -2.041 -5.377
522 HB1 ALA 69 1HB ALA 69 -1.873 -3.418 -7.825
523 HB2 ALA 69 2HB ALA 69 -0.907 -4.167 -6.532
524 HB3 ALA 69 3HB ALA 69 -2.540 -3.552 -6.181
525 H GLY 70 H GLY 70 -1.112 -0.577 -8.563
526 HA2 GLY 70 1HA GLY 70 1.668 -1.153 -9.289
527 HA3 GLY 70 2HA GLY 70 0.422 -0.469 -10.314
528 H ALA 71 H ALA 71 1.277 0.537 -6.952
529 HA ALA 71 HA ALA 71 2.682 2.856 -7.915
530 HB1 ALA 71 1HB ALA 71 0.916 4.214 -6.397
531 HB2 ALA 71 2HB ALA 71 0.703 3.994 -8.150
532 HB3 ALA 71 3HB ALA 71 -0.165 2.939 -7.009
533 H LEU 72 H LEU 72 3.019 0.363 -6.217
534 HA LEU 72 HA LEU 72 3.917 1.784 -3.819
535 HB2 LEU 72 1HB LEU 72 2.602 -0.935 -3.828
536 HB3 LEU 72 2HB LEU 72 3.253 -0.094 -2.435
537 HG LEU 72 HG LEU 72 1.048 1.140 -4.076
538 HD11 LEU 72 1HD1 LEU 72 0.608 -1.311 -3.208
539 HD12 LEU 72 2HD1 LEU 72 0.369 -0.478 -1.653
540 HD13 LEU 72 3HD1 LEU 72 -0.630 -0.041 -3.060
541 HD21 LEU 72 1HD2 LEU 72 0.510 2.029 -1.702
542 HD22 LEU 72 2HD2 LEU 72 2.171 1.520 -1.312
543 HD23 LEU 72 3HD2 LEU 72 1.886 2.718 -2.597
544 H ARG 73 H ARG 73 5.786 0.756 -2.762
545 HA ARG 73 HA ARG 73 7.084 -1.245 -4.368
546 HB2 ARG 73 1HB ARG 73 9.224 0.074 -4.441
547 HB3 ARG 73 2HB ARG 73 7.939 0.838 -5.355
548 HG2 ARG 73 1HG ARG 73 8.236 2.718 -4.125
549 HG3 ARG 73 2HG ARG 73 7.661 1.850 -2.716
550 HD2 ARG 73 1HD ARG 73 9.823 1.401 -1.927
551 HD3 ARG 73 2HD ARG 73 10.532 1.417 -3.530
552 HE ARG 73 HE ARG 73 10.168 3.712 -1.773
553 HH11 ARG 73 2HH2 ARG 73 10.402 2.733 -5.145
554 HH12 ARG 73 1HH2 ARG 73 10.946 4.284 -5.690
555 HH21 ARG 73 2HH1 ARG 73 10.886 5.759 -2.492
556 HH22 ARG 73 1HH1 ARG 73 11.224 6.017 -4.171
557 H GLU 74 H GLU 74 9.324 -1.832 -3.185
558 HA GLU 74 HA GLU 74 8.604 -2.121 -0.411
559 HB2 GLU 74 1HB GLU 74 9.561 -3.941 -2.134
560 HB3 GLU 74 2HB GLU 74 11.105 -3.321 -1.584
561 HG2 GLU 74 1HG GLU 74 9.864 -3.608 0.831
562 HG3 GLU 74 2HG GLU 74 9.022 -4.855 -0.067
563 H ARG 75 H ARG 75 9.184 -0.424 0.892
564 HA ARG 75 HA ARG 75 10.862 1.536 0.421
565 HB2 ARG 75 1HB ARG 75 9.475 1.270 2.495
566 HB3 ARG 75 2HB ARG 75 10.616 0.091 3.109
567 HG2 ARG 75 1HG ARG 75 12.428 1.824 3.055
568 HG3 ARG 75 2HG ARG 75 11.277 3.002 2.455
569 HD2 ARG 75 1HD ARG 75 9.925 2.790 4.521
570 HD3 ARG 75 2HD ARG 75 10.975 1.518 5.111
571 HE ARG 75 HE ARG 75 12.637 3.122 5.628
572 HH11 ARG 75 2HH2 ARG 75 10.014 4.604 3.810
573 HH12 ARG 75 1HH2 ARG 75 10.542 6.224 4.121
574 HH21 ARG 75 2HH1 ARG 75 13.335 5.259 6.039
575 HH22 ARG 75 1HH1 ARG 75 12.445 6.599 5.397
576 H SER 76 H SER 76 13.077 1.889 0.217
577 HA SER 76 HA SER 76 14.739 -0.448 0.690
578 HB2 SER 76 1HB SER 76 14.537 1.376 -1.485
579 HB3 SER 76 2HB SER 76 16.078 1.721 -0.724
580 HG SER 76 HG SER 76 16.272 -0.796 -0.771
581 H GLY 77 H GLY 77 14.889 3.190 0.884
582 HA2 GLY 77 1HA GLY 77 15.427 3.648 3.436
583 HA3 GLY 77 2HA GLY 77 16.972 3.003 2.918
584 HA PRO 78 HA PRO 78 17.106 7.408 1.931
585 HB2 PRO 78 1HB PRO 78 19.531 7.943 3.070
586 HB3 PRO 78 2HB PRO 78 18.009 8.159 3.911
587 HG2 PRO 78 1HG PRO 78 20.022 6.020 4.242
588 HG3 PRO 78 2HG PRO 78 18.734 6.493 5.332
589 HD2 PRO 78 1HD PRO 78 18.766 4.204 3.603
590 HD3 PRO 78 2HD PRO 78 17.433 4.742 4.606
591 H SER 79 H SER 79 19.760 5.108 1.754
592 HA SER 79 HA SER 79 21.082 6.442 -0.277
593 HB2 SER 79 1HB SER 79 21.068 3.638 0.810
594 HB3 SER 79 2HB SER 79 21.855 3.899 -0.734
595 HG SER 79 HG SER 79 23.182 4.145 1.322
596 H SER 80 H SER 80 21.416 5.353 -2.571
597 HA SER 80 HA SER 80 18.994 4.138 -3.533
598 HB2 SER 80 1HB SER 80 18.823 6.733 -3.681
599 HB3 SER 80 2HB SER 80 20.038 6.621 -4.939
600 HG SER 80 HG SER 80 18.636 5.399 -6.232
601 H GLY 81 H GLY 81 19.359 2.873 -5.432
602 HA2 GLY 81 1HA GLY 81 21.970 3.067 -6.729
603 HA3 GLY 81 2HA GLY 81 21.611 1.578 -5.876
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -11.584 -30.742 15.356
2 HA2 GLY 1 1HA GLY 1 -13.554 -29.792 17.173
3 HA3 GLY 1 2HA GLY 1 -12.589 -28.465 16.558
4 H SER 2 H SER 2 -12.851 -27.740 14.428
5 HA SER 2 HA SER 2 -15.217 -28.150 13.206
6 HB2 SER 2 1HB SER 2 -13.471 -26.352 12.737
7 HB3 SER 2 2HB SER 2 -12.616 -27.517 11.747
8 HG SER 2 HG SER 2 -13.933 -27.004 10.151
9 H SER 3 H SER 3 -12.029 -29.618 12.219
10 HA SER 3 HA SER 3 -11.541 -31.369 11.026
11 HB2 SER 3 1HB SER 3 -13.452 -32.225 13.009
12 HB3 SER 3 2HB SER 3 -13.727 -33.168 11.558
13 HG SER 3 HG SER 3 -11.302 -33.517 11.571
14 H GLY 4 H GLY 4 -11.804 -30.579 8.890
15 HA2 GLY 4 1HA GLY 4 -13.176 -31.791 7.016
16 HA3 GLY 4 2HA GLY 4 -14.457 -30.788 7.667
17 H SER 5 H SER 5 -13.600 -28.346 8.124
18 HA SER 5 HA SER 5 -12.989 -27.380 5.560
19 HB2 SER 5 1HB SER 5 -12.917 -25.822 8.177
20 HB3 SER 5 2HB SER 5 -13.173 -25.172 6.569
21 HG SER 5 HG SER 5 -15.213 -26.165 6.460
22 H SER 6 H SER 6 -11.042 -26.546 4.723
23 HA SER 6 HA SER 6 -8.754 -26.860 6.505
24 HB2 SER 6 1HB SER 6 -7.417 -27.331 4.437
25 HB3 SER 6 2HB SER 6 -8.663 -28.527 4.737
26 HG SER 6 HG SER 6 -9.239 -28.115 2.712
27 H GLY 7 H GLY 7 -8.105 -24.834 7.153
28 HA2 GLY 7 1HA GLY 7 -8.486 -22.577 5.327
29 HA3 GLY 7 2HA GLY 7 -8.119 -22.510 7.039
30 H ARG 8 H ARG 8 -6.783 -23.062 3.772
31 HA ARG 8 HA ARG 8 -4.185 -22.441 4.906
32 HB2 ARG 8 1HB ARG 8 -4.951 -24.937 3.684
33 HB3 ARG 8 2HB ARG 8 -3.858 -24.136 2.573
34 HG2 ARG 8 1HG ARG 8 -2.439 -23.691 4.807
35 HG3 ARG 8 2HG ARG 8 -3.344 -25.070 5.399
36 HD2 ARG 8 1HD ARG 8 -2.618 -26.230 3.145
37 HD3 ARG 8 2HD ARG 8 -1.420 -24.955 3.050
38 HE ARG 8 HE ARG 8 -1.313 -26.075 5.678
39 HH11 ARG 8 2HH2 ARG 8 -0.589 -26.964 2.351
40 HH12 ARG 8 1HH2 ARG 8 0.653 -28.090 2.787
41 HH21 ARG 8 2HH1 ARG 8 0.325 -27.560 6.254
42 HH22 ARG 8 1HH1 ARG 8 1.176 -28.431 5.023
43 H MET 9 H MET 9 -3.048 -20.879 3.723
44 HA MET 9 HA MET 9 -4.027 -20.336 1.041
45 HB2 MET 9 1HB MET 9 -4.307 -18.658 3.423
46 HB3 MET 9 2HB MET 9 -3.282 -17.838 2.262
47 HG2 MET 9 1HG MET 9 -5.488 -17.157 1.667
48 HG3 MET 9 2HG MET 9 -5.095 -18.393 0.489
49 HE1 MET 9 1HE MET 9 -8.087 -18.569 0.252
50 HE2 MET 9 2HE MET 9 -6.743 -19.619 -0.257
51 HE3 MET 9 3HE MET 9 -8.148 -20.317 0.583
52 HA PRO 10 HA PRO 10 0.210 -19.968 0.174
53 HB2 PRO 10 1HB PRO 10 0.184 -18.485 -2.121
54 HB3 PRO 10 2HB PRO 10 -0.149 -20.205 -2.088
55 HG2 PRO 10 1HG PRO 10 -2.041 -17.956 -2.407
56 HG3 PRO 10 2HG PRO 10 -2.275 -19.650 -2.789
57 HD2 PRO 10 1HD PRO 10 -3.308 -18.246 -0.511
58 HD3 PRO 10 2HD PRO 10 -3.444 -19.963 -0.834
59 H THR 11 H THR 11 1.990 -18.268 -0.613
60 HA THR 11 HA THR 11 1.434 -15.839 0.954
61 HB THR 11 HB THR 11 3.875 -17.684 0.996
62 HG1 THR 11 1HG THR 11 2.753 -18.265 2.810
63 HG21 THR 11 1HG2 THR 11 3.464 -15.042 2.486
64 HG22 THR 11 2HG2 THR 11 4.901 -16.091 2.538
65 HG23 THR 11 3HG2 THR 11 4.505 -15.199 1.050
66 H ARG 12 H ARG 12 0.877 -14.739 -0.990
67 HA ARG 12 HA ARG 12 3.255 -14.218 -2.585
68 HB2 ARG 12 1HB ARG 12 0.663 -15.219 -3.440
69 HB3 ARG 12 2HB ARG 12 0.907 -13.632 -4.143
70 HG2 ARG 12 1HG ARG 12 1.842 -15.261 -5.680
71 HG3 ARG 12 2HG ARG 12 3.180 -14.387 -4.960
72 HD2 ARG 12 1HD ARG 12 2.774 -16.522 -3.176
73 HD3 ARG 12 2HD ARG 12 2.484 -17.249 -4.744
74 HE ARG 12 HE ARG 12 4.837 -15.656 -4.960
75 HH11 ARG 12 2HH2 ARG 12 3.740 -18.572 -3.324
76 HH12 ARG 12 1HH2 ARG 12 5.317 -19.286 -3.266
77 HH21 ARG 12 2HH1 ARG 12 6.918 -16.597 -4.883
78 HH22 ARG 12 1HH1 ARG 12 7.137 -18.155 -4.159
79 H ARG 13 H ARG 13 3.232 -11.986 -3.625
80 HA ARG 13 HA ARG 13 3.090 -9.836 -3.479
81 HB2 ARG 13 1HB ARG 13 0.256 -10.575 -2.666
82 HB3 ARG 13 2HB ARG 13 0.745 -8.893 -2.669
83 HG2 ARG 13 1HG ARG 13 0.342 -8.834 -4.899
84 HG3 ARG 13 2HG ARG 13 1.702 -9.915 -5.132
85 HD2 ARG 13 1HD ARG 13 0.183 -11.887 -4.801
86 HD3 ARG 13 2HD ARG 13 -1.175 -10.800 -4.588
87 HE ARG 13 HE ARG 13 -0.002 -10.059 -7.036
88 HH11 ARG 13 2HH2 ARG 13 -1.481 -12.948 -5.677
89 HH12 ARG 13 1HH2 ARG 13 -2.046 -13.533 -7.207
90 HH21 ARG 13 2HH1 ARG 13 -0.747 -10.829 -9.054
91 HH22 ARG 13 1HH1 ARG 13 -1.625 -12.320 -9.140
92 H TRP 14 H TRP 14 2.533 -7.870 -1.835
93 HA TRP 14 HA TRP 14 3.979 -8.396 0.504
94 HB2 TRP 14 1HB TRP 14 2.248 -6.067 -0.333
95 HB3 TRP 14 2HB TRP 14 3.183 -6.094 1.150
96 HD1 TRP 14 HD TRP 14 6.002 -6.980 0.362
97 HE1 TRP 14 1HE TRP 14 7.576 -5.747 -1.359
98 HE3 TRP 14 3HE TRP 14 2.277 -4.559 -2.111
99 HZ2 TRP 14 2HZ TRP 14 7.098 -3.938 -3.514
100 HZ3 TRP 14 3HZ TRP 14 2.916 -3.078 -4.011
101 HH2 TRP 14 HH TRP 14 5.231 -2.749 -4.723
102 H ALA 15 H ALA 15 3.161 -8.211 2.766
103 HA ALA 15 HA ALA 15 0.439 -9.304 2.949
104 HB1 ALA 15 1HB ALA 15 1.215 -10.813 4.456
105 HB2 ALA 15 2HB ALA 15 2.810 -10.438 3.760
106 HB3 ALA 15 3HB ALA 15 2.274 -9.622 5.248
107 HA PRO 16 HA PRO 16 -0.648 -6.040 5.583
108 HB2 PRO 16 1HB PRO 16 -1.965 -7.166 7.696
109 HB3 PRO 16 2HB PRO 16 -2.698 -6.942 6.121
110 HG2 PRO 16 1HG PRO 16 -1.700 -9.432 7.362
111 HG3 PRO 16 2HG PRO 16 -2.797 -9.243 6.009
112 HD2 PRO 16 1HD PRO 16 -0.021 -9.955 5.882
113 HD3 PRO 16 2HD PRO 16 -1.089 -9.654 4.526
114 H GLY 17 H GLY 17 0.547 -4.600 6.643
115 HA2 GLY 17 1HA GLY 17 1.431 -4.041 8.815
116 HA3 GLY 17 2HA GLY 17 2.020 -5.684 8.966
117 H THR 18 H THR 18 2.540 -5.218 5.781
118 HA THR 18 HA THR 18 5.321 -4.606 6.191
119 HB THR 18 HB THR 18 3.555 -5.391 3.827
120 HG1 THR 18 1HG THR 18 4.262 -6.952 5.508
121 HG21 THR 18 1HG2 THR 18 6.570 -5.413 3.683
122 HG22 THR 18 2HG2 THR 18 5.382 -5.311 2.362
123 HG23 THR 18 3HG2 THR 18 5.740 -3.875 3.350
124 H GLN 19 H GLN 19 6.514 -2.873 5.317
125 HA GLN 19 HA GLN 19 4.858 -0.516 5.040
126 HB2 GLN 19 1HB GLN 19 7.804 -0.948 5.647
127 HB3 GLN 19 2HB GLN 19 7.178 0.638 5.245
128 HG2 GLN 19 1HG GLN 19 5.350 -0.031 7.128
129 HG3 GLN 19 2HG GLN 19 6.666 -1.045 7.686
130 HE21 GLN 19 1HE2 GLN 19 8.892 0.168 7.496
131 HE22 GLN 19 2HE2 GLN 19 8.947 1.726 8.249
132 H CYS 20 H CYS 20 4.297 0.076 2.992
133 HA CYS 20 HA CYS 20 6.217 -0.556 0.876
134 HB2 CYS 20 1HB CYS 20 3.212 -0.159 0.725
135 HB3 CYS 20 2HB CYS 20 4.255 -0.361 -0.669
136 HG CYS 20 HG CYS 20 4.670 -2.719 -0.551
137 H ILE 21 H ILE 21 6.663 1.141 -0.708
138 HA ILE 21 HA ILE 21 6.010 3.812 0.325
139 HB ILE 21 HB ILE 21 8.390 3.075 -1.367
140 HG12 ILE 21 1HG1 ILE 21 8.719 1.763 0.564
141 HG13 ILE 21 2HG1 ILE 21 9.681 3.208 0.804
142 HG21 ILE 21 1HG2 ILE 21 7.518 5.474 -1.208
143 HG22 ILE 21 2HG2 ILE 21 8.065 5.434 0.485
144 HG23 ILE 21 3HG2 ILE 21 9.236 5.197 -0.833
145 HD11 ILE 21 1HD1 ILE 21 8.625 3.351 2.819
146 HD12 ILE 21 2HD1 ILE 21 7.240 3.970 1.889
147 HD13 ILE 21 3HD1 ILE 21 7.327 2.244 2.313
148 H THR 22 H THR 22 5.555 5.492 -1.254
149 HA THR 22 HA THR 22 4.144 4.386 -3.539
150 HB THR 22 HB THR 22 3.366 6.831 -3.664
151 HG1 THR 22 1HG THR 22 5.179 7.795 -2.596
152 HG21 THR 22 1HG2 THR 22 3.039 5.100 -1.199
153 HG22 THR 22 2HG2 THR 22 2.415 6.767 -1.161
154 HG23 THR 22 3HG2 THR 22 1.808 5.617 -2.376
155 H LYS 23 H LYS 23 4.814 4.393 -5.601
156 HA LYS 23 HA LYS 23 7.469 5.357 -6.107
157 HB2 LYS 23 1HB LYS 23 5.415 3.908 -7.795
158 HB3 LYS 23 2HB LYS 23 6.978 4.409 -8.409
159 HG2 LYS 23 1HG LYS 23 8.138 2.839 -7.160
160 HG3 LYS 23 2HG LYS 23 7.030 2.933 -5.805
161 HD2 LYS 23 1HD LYS 23 6.769 0.744 -6.842
162 HD3 LYS 23 2HD LYS 23 5.314 1.669 -7.155
163 HE2 LYS 23 1HE LYS 23 5.647 1.618 -9.410
164 HE3 LYS 23 2HE LYS 23 7.316 2.127 -9.254
165 HZ1 LYS 23 1HZ LYS 23 6.639 -0.592 -8.495
166 HZ2 LYS 23 2HZ LYS 23 6.720 -0.233 -10.086
167 HZ3 LYS 23 3HZ LYS 23 8.026 -0.009 -9.131
168 H CYS 24 H CYS 24 4.339 6.717 -6.073
169 HA CYS 24 HA CYS 24 5.361 8.985 -7.566
170 HB2 CYS 24 1HB CYS 24 3.243 9.224 -8.836
171 HB3 CYS 24 2HB CYS 24 4.158 7.801 -9.291
172 HG CYS 24 HG CYS 24 2.812 6.374 -7.257
173 H GLU 25 H GLU 25 3.198 10.679 -7.401
174 HA GLU 25 HA GLU 25 2.505 10.553 -4.569
175 HB2 GLU 25 1HB GLU 25 2.662 12.989 -4.470
176 HB3 GLU 25 2HB GLU 25 4.169 12.340 -5.085
177 HG2 GLU 25 1HG GLU 25 2.344 12.812 -7.305
178 HG3 GLU 25 2HG GLU 25 2.461 14.264 -6.331
179 H HIS 26 H HIS 26 0.361 11.186 -3.972
180 HA HIS 26 HA HIS 26 -1.413 11.703 -6.239
181 HB2 HIS 26 1HB HIS 26 -1.299 9.268 -5.075
182 HB3 HIS 26 2HB HIS 26 -2.457 10.036 -4.008
183 HD1 HIS 26 1HD HIS 26 -2.298 10.776 -7.733
184 HD2 HIS 26 2HD HIS 26 -4.694 8.696 -4.989
185 HE1 HIS 26 1HE HIS 26 -4.402 10.087 -9.000
186 H THR 27 H THR 27 -2.058 13.782 -5.926
187 HA THR 27 HA THR 27 -2.437 14.712 -3.186
188 HB THR 27 HB THR 27 -2.637 16.941 -4.427
189 HG1 THR 27 1HG THR 27 -2.602 16.772 -6.664
190 HG21 THR 27 1HG2 THR 27 -0.313 15.473 -3.911
191 HG22 THR 27 2HG2 THR 27 -0.178 15.820 -5.652
192 HG23 THR 27 3HG2 THR 27 -0.348 17.156 -4.488
193 H ARG 28 H ARG 28 -4.265 14.186 -6.240
194 HA ARG 28 HA ARG 28 -6.653 14.557 -4.614
195 HB2 ARG 28 1HB ARG 28 -5.967 15.448 -7.405
196 HB3 ARG 28 2HB ARG 28 -7.615 14.915 -7.142
197 HG2 ARG 28 1HG ARG 28 -8.112 16.672 -5.694
198 HG3 ARG 28 2HG ARG 28 -6.470 16.794 -5.097
199 HD2 ARG 28 1HD ARG 28 -5.869 17.633 -7.511
200 HD3 ARG 28 2HD ARG 28 -7.594 17.863 -7.713
201 HE ARG 28 HE ARG 28 -5.809 19.486 -6.080
202 HH11 ARG 28 2HH2 ARG 28 -9.137 18.392 -6.414
203 HH12 ARG 28 1HH2 ARG 28 -9.802 19.744 -5.560
204 HH21 ARG 28 2HH1 ARG 28 -6.686 21.271 -4.954
205 HH22 ARG 28 1HH1 ARG 28 -8.398 21.393 -4.724
206 HA PRO 29 HA PRO 29 -6.769 10.280 -5.972
207 HB2 PRO 29 1HB PRO 29 -7.981 9.270 -3.741
208 HB3 PRO 29 2HB PRO 29 -6.241 9.374 -3.923
209 HG2 PRO 29 1HG PRO 29 -8.038 11.060 -2.290
210 HG3 PRO 29 2HG PRO 29 -6.301 10.866 -2.165
211 HD2 PRO 29 1HD PRO 29 -7.701 13.089 -3.316
212 HD3 PRO 29 2HD PRO 29 -5.966 12.840 -3.295
213 H LYS 30 H LYS 30 -8.665 8.564 -5.955
214 HA LYS 30 HA LYS 30 -10.709 9.874 -7.398
215 HB2 LYS 30 1HB LYS 30 -9.784 7.201 -6.948
216 HB3 LYS 30 2HB LYS 30 -11.506 7.243 -6.625
217 HG2 LYS 30 1HG LYS 30 -11.374 8.779 -8.917
218 HG3 LYS 30 2HG LYS 30 -10.049 7.665 -9.192
219 HD2 LYS 30 1HD LYS 30 -12.284 6.154 -8.153
220 HD3 LYS 30 2HD LYS 30 -12.876 7.170 -9.452
221 HE2 LYS 30 1HE LYS 30 -12.057 5.616 -10.896
222 HE3 LYS 30 2HE LYS 30 -10.455 6.189 -10.476
223 HZ1 LYS 30 1HZ LYS 30 -11.337 4.469 -8.477
224 HZ2 LYS 30 2HZ LYS 30 -11.569 3.728 -9.913
225 HZ3 LYS 30 3HZ LYS 30 -10.083 4.268 -9.504
226 HA PRO 31 HA PRO 31 -13.716 10.513 -4.355
227 HB2 PRO 31 1HB PRO 31 -16.056 9.495 -5.333
228 HB3 PRO 31 2HB PRO 31 -15.380 11.023 -5.862
229 HG2 PRO 31 1HG PRO 31 -15.419 8.427 -7.274
230 HG3 PRO 31 2HG PRO 31 -15.146 10.029 -7.930
231 HD2 PRO 31 1HD PRO 31 -13.160 8.026 -7.408
232 HD3 PRO 31 2HD PRO 31 -12.876 9.667 -7.953
233 H GLY 32 H GLY 32 -12.855 9.451 -2.573
234 HA2 GLY 32 1HA GLY 32 -13.838 8.105 -0.819
235 HA3 GLY 32 2HA GLY 32 -14.287 6.920 -2.030
236 H GLU 33 H GLU 33 -11.182 8.571 -2.376
237 HA GLU 33 HA GLU 33 -9.902 6.130 -1.418
238 HB2 GLU 33 1HB GLU 33 -9.373 7.832 -3.859
239 HB3 GLU 33 2HB GLU 33 -8.049 6.940 -3.138
240 HG2 GLU 33 1HG GLU 33 -9.351 4.821 -3.334
241 HG3 GLU 33 2HG GLU 33 -10.700 5.704 -4.023
242 H LEU 34 H LEU 34 -7.405 6.620 -0.960
243 HA LEU 34 HA LEU 34 -7.415 8.979 0.763
244 HB2 LEU 34 1HB LEU 34 -6.919 7.175 2.077
245 HB3 LEU 34 2HB LEU 34 -6.068 6.323 0.803
246 HG LEU 34 HG LEU 34 -4.313 8.279 1.078
247 HD11 LEU 34 1HD1 LEU 34 -5.016 9.759 2.624
248 HD12 LEU 34 2HD1 LEU 34 -6.072 8.580 3.439
249 HD13 LEU 34 3HD1 LEU 34 -4.321 8.582 3.764
250 HD21 LEU 34 1HD2 LEU 34 -3.172 6.451 1.611
251 HD22 LEU 34 2HD2 LEU 34 -3.674 6.698 3.301
252 HD23 LEU 34 3HD2 LEU 34 -4.633 5.646 2.232
253 H ALA 35 H ALA 35 -5.497 10.375 0.829
254 HA ALA 35 HA ALA 35 -4.160 10.416 -1.790
255 HB1 ALA 35 1HB ALA 35 -4.452 12.689 -1.875
256 HB2 ALA 35 2HB ALA 35 -5.851 12.299 -0.845
257 HB3 ALA 35 3HB ALA 35 -4.337 12.879 -0.109
258 H PHE 36 H PHE 36 -1.897 10.950 -1.825
259 HA PHE 36 HA PHE 36 -0.536 11.291 0.673
260 HB2 PHE 36 1HB PHE 36 0.830 9.170 0.262
261 HB3 PHE 36 2HB PHE 36 -0.848 8.835 0.643
262 HD1 PHE 36 1HD PHE 36 1.609 9.006 -2.106
263 HD2 PHE 36 2HD PHE 36 -2.274 7.761 -0.930
264 HE1 PHE 36 1HE PHE 36 1.393 7.677 -4.225
265 HE2 PHE 36 2HE PHE 36 -2.490 6.432 -3.048
266 HZ PHE 36 HZ PHE 36 -0.654 6.406 -4.670
267 H ARG 37 H ARG 37 2.000 11.135 0.178
268 HA ARG 37 HA ARG 37 2.327 12.428 -2.409
269 HB2 ARG 37 1HB ARG 37 3.628 12.911 0.294
270 HB3 ARG 37 2HB ARG 37 4.469 13.388 -1.167
271 HG2 ARG 37 1HG ARG 37 1.611 14.248 -0.523
272 HG3 ARG 37 2HG ARG 37 3.019 15.205 -0.108
273 HD2 ARG 37 1HD ARG 37 3.327 14.489 -2.865
274 HD3 ARG 37 2HD ARG 37 1.659 14.990 -2.673
275 HE ARG 37 HE ARG 37 3.215 16.896 -1.283
276 HH11 ARG 37 2HH2 ARG 37 2.849 15.760 -4.593
277 HH12 ARG 37 1HH2 ARG 37 3.304 17.275 -5.299
278 HH21 ARG 37 2HH1 ARG 37 3.816 18.895 -2.213
279 HH22 ARG 37 1HH1 ARG 37 3.858 19.070 -3.936
280 H LYS 38 H LYS 38 4.852 12.303 -3.083
281 HA LYS 38 HA LYS 38 5.394 9.581 -3.488
282 HB2 LYS 38 1HB LYS 38 6.010 11.553 -4.965
283 HB3 LYS 38 2HB LYS 38 7.315 11.893 -3.846
284 HG2 LYS 38 1HG LYS 38 8.082 9.459 -4.173
285 HG3 LYS 38 2HG LYS 38 6.911 9.343 -5.471
286 HD2 LYS 38 1HD LYS 38 8.010 11.246 -6.651
287 HD3 LYS 38 2HD LYS 38 9.164 11.404 -5.342
288 HE2 LYS 38 1HE LYS 38 8.868 8.718 -6.705
289 HE3 LYS 38 2HE LYS 38 9.763 9.984 -7.522
290 HZ1 LYS 38 1HZ LYS 38 10.796 10.130 -5.099
291 HZ2 LYS 38 2HZ LYS 38 10.437 8.537 -5.136
292 HZ3 LYS 38 3HZ LYS 38 11.413 9.181 -6.276
293 H GLY 39 H GLY 39 7.107 8.247 -2.677
294 HA2 GLY 39 1HA GLY 39 8.373 7.369 -1.042
295 HA3 GLY 39 2HA GLY 39 8.956 8.994 -0.741
296 H ASP 40 H ASP 40 5.637 7.559 -0.390
297 HA ASP 40 HA ASP 40 5.628 8.639 2.296
298 HB2 ASP 40 1HB ASP 40 3.652 9.319 1.249
299 HB3 ASP 40 2HB ASP 40 3.551 7.875 0.262
300 H VAL 41 H VAL 41 5.292 7.246 4.129
301 HA VAL 41 HA VAL 41 5.680 4.415 3.552
302 HB VAL 41 HB VAL 41 6.012 6.140 6.004
303 HG11 VAL 41 1HG1 VAL 41 6.967 3.943 6.997
304 HG12 VAL 41 2HG1 VAL 41 5.202 4.171 6.972
305 HG13 VAL 41 3HG1 VAL 41 5.982 3.133 5.755
306 HG21 VAL 41 1HG2 VAL 41 8.356 4.783 5.606
307 HG22 VAL 41 2HG2 VAL 41 7.790 5.014 3.935
308 HG23 VAL 41 3HG2 VAL 41 8.012 6.421 5.001
309 H VAL 42 H VAL 42 4.075 2.930 3.780
310 HA VAL 42 HA VAL 42 1.779 3.674 5.425
311 HB VAL 42 HB VAL 42 0.259 2.859 3.671
312 HG11 VAL 42 1HG1 VAL 42 1.207 5.336 3.964
313 HG12 VAL 42 2HG1 VAL 42 1.804 5.028 2.315
314 HG13 VAL 42 3HG1 VAL 42 0.064 4.907 2.668
315 HG21 VAL 42 1HG2 VAL 42 1.230 1.513 2.136
316 HG22 VAL 42 2HG2 VAL 42 1.550 3.041 1.281
317 HG23 VAL 42 3HG2 VAL 42 2.818 2.304 2.290
318 H THR 43 H THR 43 0.498 1.775 6.102
319 HA THR 43 HA THR 43 2.145 -0.669 6.021
320 HB THR 43 HB THR 43 0.375 0.539 8.209
321 HG1 THR 43 1HG THR 43 2.582 1.354 7.940
322 HG21 THR 43 1HG2 THR 43 0.707 -1.388 9.515
323 HG22 THR 43 2HG2 THR 43 0.508 -2.130 7.909
324 HG23 THR 43 3HG2 THR 43 2.138 -1.891 8.583
325 H ILE 44 H ILE 44 1.320 -2.357 4.970
326 HA ILE 44 HA ILE 44 -1.150 -2.239 3.717
327 HB ILE 44 HB ILE 44 0.595 -4.603 4.410
328 HG12 ILE 44 1HG1 ILE 44 1.568 -2.690 3.027
329 HG13 ILE 44 2HG1 ILE 44 1.669 -4.304 2.353
330 HG21 ILE 44 1HG2 ILE 44 -0.878 -5.085 2.052
331 HG22 ILE 44 2HG2 ILE 44 -1.003 -5.920 3.620
332 HG23 ILE 44 3HG2 ILE 44 -2.043 -4.517 3.272
333 HD11 ILE 44 1HD1 ILE 44 0.497 -3.654 0.531
334 HD12 ILE 44 2HD1 ILE 44 -0.859 -3.132 1.559
335 HD13 ILE 44 3HD1 ILE 44 0.460 -1.998 1.182
336 H LEU 45 H LEU 45 -3.096 -2.077 4.695
337 HA LEU 45 HA LEU 45 -3.469 -3.094 7.337
338 HB2 LEU 45 1HB LEU 45 -5.400 -1.882 5.355
339 HB3 LEU 45 2HB LEU 45 -5.772 -2.256 7.026
340 HG LEU 45 HG LEU 45 -3.546 -0.362 6.255
341 HD11 LEU 45 1HD1 LEU 45 -6.494 0.125 6.423
342 HD12 LEU 45 2HD1 LEU 45 -5.372 1.384 6.992
343 HD13 LEU 45 3HD1 LEU 45 -5.281 0.804 5.312
344 HD21 LEU 45 1HD2 LEU 45 -4.402 -1.489 8.716
345 HD22 LEU 45 2HD2 LEU 45 -3.145 -0.261 8.431
346 HD23 LEU 45 3HD2 LEU 45 -4.825 0.240 8.740
347 H GLU 46 H GLU 46 -4.785 -3.901 4.052
348 HA GLU 46 HA GLU 46 -4.938 -6.636 4.927
349 HB2 GLU 46 1HB GLU 46 -7.293 -4.906 4.661
350 HB3 GLU 46 2HB GLU 46 -7.396 -6.291 3.591
351 HG2 GLU 46 1HG GLU 46 -7.305 -7.850 5.370
352 HG3 GLU 46 2HG GLU 46 -6.535 -6.716 6.462
353 H ALA 47 H ALA 47 -6.027 -7.921 2.835
354 HA ALA 47 HA ALA 47 -4.198 -7.290 0.708
355 HB1 ALA 47 1HB ALA 47 -4.427 -9.487 0.214
356 HB2 ALA 47 2HB ALA 47 -5.276 -9.603 1.775
357 HB3 ALA 47 3HB ALA 47 -6.205 -9.406 0.269
358 H CYS 48 H CYS 48 -4.899 -7.052 -1.567
359 HA CYS 48 HA CYS 48 -6.533 -4.989 -2.006
360 HB2 CYS 48 1HB CYS 48 -6.676 -5.681 -4.334
361 HB3 CYS 48 2HB CYS 48 -5.066 -5.983 -3.713
362 HG CYS 48 HG CYS 48 -5.701 -8.531 -2.965
363 H GLU 49 H GLU 49 -8.782 -4.664 -2.473
364 HA GLU 49 HA GLU 49 -10.492 -6.965 -2.401
365 HB2 GLU 49 1HB GLU 49 -10.068 -6.179 0.030
366 HB3 GLU 49 2HB GLU 49 -10.986 -4.745 -0.382
367 HG2 GLU 49 1HG GLU 49 -12.546 -6.917 -1.342
368 HG3 GLU 49 2HG GLU 49 -11.950 -7.442 0.220
369 H ASN 50 H ASN 50 -10.036 -5.483 -4.615
370 HA ASN 50 HA ASN 50 -12.582 -4.309 -5.031
371 HB2 ASN 50 1HB ASN 50 -10.297 -2.592 -4.425
372 HB3 ASN 50 2HB ASN 50 -10.809 -2.309 -6.076
373 HD21 ASN 50 1HD2 ASN 50 -11.427 -0.212 -5.368
374 HD22 ASN 50 2HD2 ASN 50 -12.945 0.064 -4.581
375 H LYS 51 H LYS 51 -9.283 -3.757 -6.480
376 HA LYS 51 HA LYS 51 -9.863 -5.619 -8.609
377 HB2 LYS 51 1HB LYS 51 -9.237 -2.780 -9.407
378 HB3 LYS 51 2HB LYS 51 -9.821 -4.100 -10.401
379 HG2 LYS 51 1HG LYS 51 -11.992 -4.081 -9.166
380 HG3 LYS 51 2HG LYS 51 -11.410 -2.778 -8.150
381 HD2 LYS 51 1HD LYS 51 -11.111 -1.345 -10.204
382 HD3 LYS 51 2HD LYS 51 -11.767 -2.643 -11.182
383 HE2 LYS 51 1HE LYS 51 -13.550 -2.110 -8.934
384 HE3 LYS 51 2HE LYS 51 -13.218 -0.618 -9.791
385 HZ1 LYS 51 1HZ LYS 51 -13.822 -2.967 -11.375
386 HZ2 LYS 51 2HZ LYS 51 -15.057 -2.254 -10.580
387 HZ3 LYS 51 3HZ LYS 51 -14.182 -1.400 -11.662
388 H SER 52 H SER 52 -7.643 -2.773 -8.287
389 HA SER 52 HA SER 52 -5.497 -4.663 -7.823
390 HB2 SER 52 1HB SER 52 -5.923 -3.677 -10.356
391 HB3 SER 52 2HB SER 52 -4.839 -2.457 -9.717
392 HG SER 52 HG SER 52 -3.748 -4.753 -8.951
393 H TRP 53 H TRP 53 -6.575 -3.213 -5.789
394 HA TRP 53 HA TRP 53 -4.641 -1.026 -5.447
395 HB2 TRP 53 1HB TRP 53 -7.561 -1.089 -4.687
396 HB3 TRP 53 2HB TRP 53 -6.416 0.042 -3.993
397 HD1 TRP 53 HD TRP 53 -7.357 -0.959 -7.670
398 HE1 TRP 53 1HE TRP 53 -7.523 1.192 -9.189
399 HE3 TRP 53 3HE TRP 53 -6.135 2.358 -4.015
400 HZ2 TRP 53 2HZ TRP 53 -7.134 3.977 -8.702
401 HZ3 TRP 53 3HZ TRP 53 -6.050 4.774 -4.620
402 HH2 TRP 53 HH TRP 53 -6.525 5.601 -6.871
403 H TYR 54 H TYR 54 -4.350 -0.597 -2.970
404 HA TYR 54 HA TYR 54 -4.703 -3.068 -1.443
405 HB2 TYR 54 1HB TYR 54 -2.207 -1.527 -2.266
406 HB3 TYR 54 2HB TYR 54 -2.210 -2.250 -0.670
407 HD1 TYR 54 2HD TYR 54 -2.251 -2.940 -4.292
408 HD2 TYR 54 1HD TYR 54 -2.089 -4.661 -0.378
409 HE1 TYR 54 2HE TYR 54 -1.547 -5.168 -5.293
410 HE2 TYR 54 1HE TYR 54 -1.385 -6.884 -1.393
411 HH TYR 54 HH TYR 54 -0.753 -7.163 -4.859
412 H ARG 55 H ARG 55 -5.486 -2.665 0.571
413 HA ARG 55 HA ARG 55 -5.845 0.041 1.309
414 HB2 ARG 55 1HB ARG 55 -7.475 -1.887 1.758
415 HB3 ARG 55 2HB ARG 55 -6.365 -2.463 2.986
416 HG2 ARG 55 1HG ARG 55 -6.527 -0.003 3.940
417 HG3 ARG 55 2HG ARG 55 -7.976 0.108 2.960
418 HD2 ARG 55 1HD ARG 55 -8.505 -2.267 4.150
419 HD3 ARG 55 2HD ARG 55 -7.446 -1.606 5.379
420 HE ARG 55 HE ARG 55 -9.091 -0.025 5.929
421 HH11 ARG 55 2HH2 ARG 55 -9.868 -1.491 2.827
422 HH12 ARG 55 1HH2 ARG 55 -11.438 -0.764 2.732
423 HH21 ARG 55 2HH1 ARG 55 -11.161 0.934 5.805
424 HH22 ARG 55 1HH1 ARG 55 -12.178 0.625 4.438
425 H VAL 56 H VAL 56 -4.213 1.233 2.248
426 HA VAL 56 HA VAL 56 -2.510 -0.169 4.189
427 HB VAL 56 HB VAL 56 -0.625 1.079 3.432
428 HG11 VAL 56 1HG1 VAL 56 -0.228 0.056 1.340
429 HG12 VAL 56 2HG1 VAL 56 -1.396 -1.006 2.161
430 HG13 VAL 56 3HG1 VAL 56 -1.949 0.111 0.890
431 HG21 VAL 56 1HG2 VAL 56 -0.645 2.754 1.745
432 HG22 VAL 56 2HG2 VAL 56 -2.328 2.388 1.296
433 HG23 VAL 56 3HG2 VAL 56 -1.972 3.156 2.862
434 H LYS 57 H LYS 57 -1.360 1.575 5.652
435 HA LYS 57 HA LYS 57 -3.342 3.658 6.250
436 HB2 LYS 57 1HB LYS 57 -3.598 1.893 7.877
437 HB3 LYS 57 2HB LYS 57 -1.872 1.838 8.176
438 HG2 LYS 57 1HG LYS 57 -2.991 4.556 8.505
439 HG3 LYS 57 2HG LYS 57 -3.735 3.390 9.581
440 HD2 LYS 57 1HD LYS 57 -1.272 2.624 10.099
441 HD3 LYS 57 2HD LYS 57 -0.801 4.149 9.375
442 HE2 LYS 57 1HE LYS 57 -1.876 5.436 11.053
443 HE3 LYS 57 2HE LYS 57 -2.949 4.129 11.513
444 HZ1 LYS 57 1HZ LYS 57 -1.315 3.122 12.709
445 HZ2 LYS 57 2HZ LYS 57 -0.084 3.764 11.849
446 HZ3 LYS 57 3HZ LYS 57 -0.890 4.683 12.931
447 H HIS 58 H HIS 58 -2.534 5.682 6.148
448 HA HIS 58 HA HIS 58 0.238 6.020 5.646
449 HB2 HIS 58 1HB HIS 58 -1.834 7.353 4.777
450 HB3 HIS 58 2HB HIS 58 -1.672 8.260 6.267
451 HD2 HIS 58 2HD HIS 58 -0.223 8.238 2.742
452 HE1 HIS 58 1HE HIS 58 2.434 10.604 5.078
453 HE2 HIS 58 2HE HIS 58 1.768 9.829 2.701
454 H HIS 59 H HIS 59 1.835 6.142 7.134
455 HA HIS 59 HA HIS 59 1.330 6.049 9.850
456 HB2 HIS 59 1HB HIS 59 3.527 5.804 8.171
457 HB3 HIS 59 2HB HIS 59 3.922 7.212 9.135
458 HD1 HIS 59 1HD HIS 59 5.623 6.258 10.738
459 HD2 HIS 59 2HD HIS 59 2.121 3.957 10.542
460 HE1 HIS 59 1HE HIS 59 5.827 4.488 12.565
461 H THR 60 H THR 60 2.891 8.823 8.086
462 HA THR 60 HA THR 60 2.651 10.666 10.098
463 HB THR 60 HB THR 60 2.627 10.878 7.050
464 HG1 THR 60 1HG THR 60 4.534 10.077 8.231
465 HG21 THR 60 1HG2 THR 60 2.997 13.082 9.147
466 HG22 THR 60 2HG2 THR 60 3.356 13.252 7.412
467 HG23 THR 60 3HG2 THR 60 1.679 13.000 7.954
468 H SER 61 H SER 61 0.342 10.388 7.306
469 HA SER 61 HA SER 61 -1.467 12.152 8.334
470 HB2 SER 61 1HB SER 61 -1.285 10.409 6.114
471 HB3 SER 61 2HB SER 61 -2.781 9.957 6.908
472 HG SER 61 HG SER 61 -3.487 12.165 6.792
473 H GLY 62 H GLY 62 -2.098 8.573 8.185
474 HA2 GLY 62 1HA GLY 62 -2.470 7.316 10.200
475 HA3 GLY 62 2HA GLY 62 -3.185 8.740 10.928
476 H GLN 63 H GLN 63 -3.957 8.380 7.560
477 HA GLN 63 HA GLN 63 -6.645 7.676 8.332
478 HB2 GLN 63 1HB GLN 63 -5.798 8.337 5.505
479 HB3 GLN 63 2HB GLN 63 -7.342 8.622 6.282
480 HG2 GLN 63 1HG GLN 63 -4.755 10.166 6.592
481 HG3 GLN 63 2HG GLN 63 -6.356 10.776 6.226
482 HE21 GLN 63 1HE2 GLN 63 -4.203 11.140 8.406
483 HE22 GLN 63 2HE2 GLN 63 -5.088 11.130 9.895
484 H GLU 64 H GLU 64 -7.753 6.348 6.257
485 HA GLU 64 HA GLU 64 -5.970 4.163 5.607
486 HB2 GLU 64 1HB GLU 64 -8.707 3.740 6.888
487 HB3 GLU 64 2HB GLU 64 -7.635 2.474 6.323
488 HG2 GLU 64 1HG GLU 64 -5.967 3.003 8.000
489 HG3 GLU 64 2HG GLU 64 -6.763 4.507 8.419
490 H GLY 65 H GLY 65 -6.029 4.135 3.400
491 HA2 GLY 65 1HA GLY 65 -8.643 4.014 2.098
492 HA3 GLY 65 2HA GLY 65 -7.586 5.338 1.649
493 H LEU 66 H LEU 66 -8.394 3.406 -0.246
494 HA LEU 66 HA LEU 66 -6.560 1.293 -0.491
495 HB2 LEU 66 1HB LEU 66 -8.368 2.694 -2.457
496 HB3 LEU 66 2HB LEU 66 -7.381 1.310 -2.885
497 HG LEU 66 HG LEU 66 -9.593 0.536 -2.449
498 HD11 LEU 66 1HD1 LEU 66 -9.224 -1.136 -0.778
499 HD12 LEU 66 2HD1 LEU 66 -7.681 -0.840 -1.614
500 HD13 LEU 66 3HD1 LEU 66 -7.962 -0.156 0.005
501 HD21 LEU 66 1HD2 LEU 66 -9.505 1.695 0.340
502 HD22 LEU 66 2HD2 LEU 66 -10.219 2.555 -1.045
503 HD23 LEU 66 3HD2 LEU 66 -10.889 0.989 -0.529
504 H LEU 67 H LEU 67 -4.907 1.075 -2.262
505 HA LEU 67 HA LEU 67 -3.724 3.618 -3.037
506 HB2 LEU 67 1HB LEU 67 -2.821 2.352 -0.790
507 HB3 LEU 67 2HB LEU 67 -1.777 1.664 -2.017
508 HG LEU 67 HG LEU 67 -2.142 4.625 -1.483
509 HD11 LEU 67 1HD1 LEU 67 -0.454 2.618 -0.241
510 HD12 LEU 67 2HD1 LEU 67 0.510 3.908 -1.000
511 HD13 LEU 67 3HD1 LEU 67 -0.732 4.317 0.207
512 HD21 LEU 67 1HD2 LEU 67 -0.035 4.735 -2.954
513 HD22 LEU 67 2HD2 LEU 67 -0.506 3.111 -3.510
514 HD23 LEU 67 3HD2 LEU 67 -1.608 4.488 -3.751
515 H ALA 68 H ALA 68 -2.855 3.555 -5.081
516 HA ALA 68 HA ALA 68 -3.563 1.561 -6.810
517 HB1 ALA 68 1HB ALA 68 -1.509 3.760 -6.804
518 HB2 ALA 68 2HB ALA 68 -1.511 2.585 -8.141
519 HB3 ALA 68 3HB ALA 68 -2.961 3.565 -7.814
520 H ALA 69 H ALA 69 -3.003 -0.551 -6.904
521 HA ALA 69 HA ALA 69 -0.926 -1.629 -5.390
522 HB1 ALA 69 1HB ALA 69 -2.344 -2.749 -7.843
523 HB2 ALA 69 2HB ALA 69 -1.436 -3.689 -6.635
524 HB3 ALA 69 3HB ALA 69 -2.936 -2.853 -6.168
525 H GLY 70 H GLY 70 -1.070 -0.276 -8.680
526 HA2 GLY 70 1HA GLY 70 1.629 -1.240 -9.276
527 HA3 GLY 70 2HA GLY 70 0.515 -0.446 -10.371
528 H ALA 71 H ALA 71 1.398 0.616 -7.036
529 HA ALA 71 HA ALA 71 3.126 2.676 -8.075
530 HB1 ALA 71 1HB ALA 71 0.296 3.151 -7.408
531 HB2 ALA 71 2HB ALA 71 1.420 4.207 -6.520
532 HB3 ALA 71 3HB ALA 71 1.447 4.175 -8.299
533 H LEU 72 H LEU 72 3.092 0.230 -6.260
534 HA LEU 72 HA LEU 72 4.016 1.628 -3.846
535 HB2 LEU 72 1HB LEU 72 2.698 -1.086 -3.993
536 HB3 LEU 72 2HB LEU 72 3.311 -0.307 -2.547
537 HG LEU 72 HG LEU 72 1.096 0.867 -4.244
538 HD11 LEU 72 1HD1 LEU 72 0.960 -1.474 -2.674
539 HD12 LEU 72 2HD1 LEU 72 0.159 -0.188 -1.740
540 HD13 LEU 72 3HD1 LEU 72 -0.380 -0.553 -3.396
541 HD21 LEU 72 1HD2 LEU 72 2.077 2.565 -2.932
542 HD22 LEU 72 2HD2 LEU 72 0.606 2.068 -2.062
543 HD23 LEU 72 3HD2 LEU 72 2.201 1.507 -1.507
544 H ARG 73 H ARG 73 5.884 0.682 -2.784
545 HA ARG 73 HA ARG 73 7.241 -1.338 -4.318
546 HB2 ARG 73 1HB ARG 73 9.364 0.011 -4.371
547 HB3 ARG 73 2HB ARG 73 8.090 0.734 -5.332
548 HG2 ARG 73 1HG ARG 73 8.364 2.647 -4.148
549 HG3 ARG 73 2HG ARG 73 7.712 1.819 -2.748
550 HD2 ARG 73 1HD ARG 73 9.815 1.426 -1.816
551 HD3 ARG 73 2HD ARG 73 10.611 1.317 -3.374
552 HE ARG 73 HE ARG 73 10.165 3.748 -1.810
553 HH11 ARG 73 2HH2 ARG 73 10.722 2.484 -5.047
554 HH12 ARG 73 1HH2 ARG 73 11.372 3.971 -5.654
555 HH21 ARG 73 2HH1 ARG 73 11.022 5.710 -2.610
556 HH22 ARG 73 1HH1 ARG 73 11.544 5.818 -4.258
557 H GLU 74 H GLU 74 9.463 -1.870 -3.078
558 HA GLU 74 HA GLU 74 8.685 -2.146 -0.324
559 HB2 GLU 74 1HB GLU 74 9.767 -3.938 -1.995
560 HB3 GLU 74 2HB GLU 74 11.270 -3.242 -1.421
561 HG2 GLU 74 1HG GLU 74 10.211 -3.568 0.983
562 HG3 GLU 74 2HG GLU 74 9.129 -4.683 0.173
563 H ARG 75 H ARG 75 9.166 -0.448 1.012
564 HA ARG 75 HA ARG 75 10.802 1.578 0.547
565 HB2 ARG 75 1HB ARG 75 9.269 1.213 2.561
566 HB3 ARG 75 2HB ARG 75 10.540 0.252 3.292
567 HG2 ARG 75 1HG ARG 75 12.095 2.259 3.062
568 HG3 ARG 75 2HG ARG 75 10.722 3.199 2.509
569 HD2 ARG 75 1HD ARG 75 9.572 2.950 4.627
570 HD3 ARG 75 2HD ARG 75 10.672 1.695 5.161
571 HE ARG 75 HE ARG 75 12.033 4.213 4.552
572 HH11 ARG 75 2HH2 ARG 75 10.301 2.411 7.029
573 HH12 ARG 75 1HH2 ARG 75 11.013 3.285 8.343
574 HH21 ARG 75 2HH1 ARG 75 12.973 5.367 6.286
575 HH22 ARG 75 1HH1 ARG 75 12.543 4.978 7.918
576 H SER 76 H SER 76 12.979 1.777 0.124
577 HA SER 76 HA SER 76 14.724 -0.153 1.438
578 HB2 SER 76 1HB SER 76 16.164 -0.086 -0.631
579 HB3 SER 76 2HB SER 76 14.598 -0.831 -0.881
580 HG SER 76 HG SER 76 14.948 0.599 -2.604
581 H GLY 77 H GLY 77 15.707 1.113 3.001
582 HA2 GLY 77 1HA GLY 77 17.528 2.558 3.434
583 HA3 GLY 77 2HA GLY 77 17.082 3.539 2.052
584 HA PRO 78 HA PRO 78 15.165 5.210 5.923
585 HB2 PRO 78 1HB PRO 78 16.849 7.286 6.489
586 HB3 PRO 78 2HB PRO 78 16.952 5.726 7.280
587 HG2 PRO 78 1HG PRO 78 18.702 6.860 5.185
588 HG3 PRO 78 2HG PRO 78 19.017 5.523 6.273
589 HD2 PRO 78 1HD PRO 78 18.314 5.348 3.498
590 HD3 PRO 78 2HD PRO 78 18.515 4.012 4.615
591 H SER 79 H SER 79 16.895 7.319 3.668
592 HA SER 79 HA SER 79 14.496 8.137 2.496
593 HB2 SER 79 1HB SER 79 14.449 9.348 4.781
594 HB3 SER 79 2HB SER 79 15.798 10.301 4.194
595 HG SER 79 HG SER 79 13.478 10.080 2.537
596 H SER 80 H SER 80 15.760 7.623 0.614
597 HA SER 80 HA SER 80 17.067 8.038 -1.066
598 HB2 SER 80 1HB SER 80 16.148 10.261 -1.190
599 HB3 SER 80 2HB SER 80 17.110 10.818 0.165
600 HG SER 80 HG SER 80 18.363 11.541 -1.448
601 H GLY 81 H GLY 81 19.335 7.962 -1.681
602 HA2 GLY 81 1HA GLY 81 21.499 8.802 -0.221
603 HA3 GLY 81 2HA GLY 81 21.075 7.250 0.474
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -3.378 -32.762 9.887
2 HA2 GLY 1 1HA GLY 1 -5.227 -34.977 10.545
3 HA3 GLY 1 2HA GLY 1 -5.009 -33.535 11.518
4 H SER 2 H SER 2 -5.599 -31.388 10.530
5 HA SER 2 HA SER 2 -7.132 -31.433 8.155
6 HB2 SER 2 1HB SER 2 -8.578 -32.228 10.345
7 HB3 SER 2 2HB SER 2 -8.816 -30.494 10.434
8 HG SER 2 HG SER 2 -10.241 -32.076 8.972
9 H SER 3 H SER 3 -7.997 -29.161 7.670
10 HA SER 3 HA SER 3 -7.714 -27.015 7.520
11 HB2 SER 3 1HB SER 3 -6.868 -27.116 10.450
12 HB3 SER 3 2HB SER 3 -7.303 -25.661 9.576
13 HG SER 3 HG SER 3 -8.942 -27.396 10.852
14 H GLY 4 H GLY 4 -6.012 -25.237 7.402
15 HA2 GLY 4 1HA GLY 4 -3.818 -24.512 7.432
16 HA3 GLY 4 2HA GLY 4 -3.271 -26.114 7.885
17 H SER 5 H SER 5 -3.964 -23.916 5.247
18 HA SER 5 HA SER 5 -2.942 -25.947 3.435
19 HB2 SER 5 1HB SER 5 -4.498 -25.137 1.666
20 HB3 SER 5 2HB SER 5 -5.352 -25.838 3.027
21 HG SER 5 HG SER 5 -4.886 -23.071 3.257
22 H SER 6 H SER 6 -1.227 -25.200 2.207
23 HA SER 6 HA SER 6 0.414 -23.850 1.684
24 HB2 SER 6 1HB SER 6 -0.342 -21.792 0.341
25 HB3 SER 6 2HB SER 6 -0.929 -23.347 -0.213
26 HG SER 6 HG SER 6 -2.571 -21.594 -0.061
27 H GLY 7 H GLY 7 1.211 -23.396 3.846
28 HA2 GLY 7 1HA GLY 7 0.189 -21.094 5.269
29 HA3 GLY 7 2HA GLY 7 1.488 -22.166 5.751
30 H ARG 8 H ARG 8 3.159 -20.735 6.182
31 HA ARG 8 HA ARG 8 3.615 -18.572 4.394
32 HB2 ARG 8 1HB ARG 8 4.822 -19.564 6.979
33 HB3 ARG 8 2HB ARG 8 5.790 -18.482 5.998
34 HG2 ARG 8 1HG ARG 8 4.597 -17.004 7.411
35 HG3 ARG 8 2HG ARG 8 3.685 -16.948 5.915
36 HD2 ARG 8 1HD ARG 8 1.831 -17.858 6.890
37 HD3 ARG 8 2HD ARG 8 2.757 -19.139 7.647
38 HE ARG 8 HE ARG 8 3.156 -16.533 8.922
39 HH11 ARG 8 2HH2 ARG 8 1.130 -19.408 8.824
40 HH12 ARG 8 1HH2 ARG 8 0.534 -19.199 10.437
41 HH21 ARG 8 2HH1 ARG 8 2.371 -16.256 11.050
42 HH22 ARG 8 1HH1 ARG 8 1.245 -17.394 11.711
43 H MET 9 H MET 9 4.813 -18.751 2.526
44 HA MET 9 HA MET 9 7.304 -19.722 2.340
45 HB2 MET 9 1HB MET 9 5.442 -21.905 2.601
46 HB3 MET 9 2HB MET 9 5.972 -21.913 0.931
47 HG2 MET 9 1HG MET 9 7.970 -22.807 1.533
48 HG3 MET 9 2HG MET 9 8.293 -21.446 2.588
49 HE1 MET 9 1HE MET 9 7.189 -25.638 3.629
50 HE2 MET 9 2HE MET 9 5.865 -24.848 2.739
51 HE3 MET 9 3HE MET 9 7.504 -24.884 2.047
52 HA PRO 10 HA PRO 10 5.251 -19.402 -1.924
53 HB2 PRO 10 1HB PRO 10 2.531 -19.255 -2.134
54 HB3 PRO 10 2HB PRO 10 3.426 -20.751 -2.308
55 HG2 PRO 10 1HG PRO 10 1.787 -19.826 -0.028
56 HG3 PRO 10 2HG PRO 10 2.327 -21.450 -0.405
57 HD2 PRO 10 1HD PRO 10 3.414 -19.699 1.590
58 HD3 PRO 10 2HD PRO 10 4.026 -21.277 1.134
59 H THR 11 H THR 11 6.357 -17.433 -1.768
60 HA THR 11 HA THR 11 4.731 -15.177 -0.932
61 HB THR 11 HB THR 11 7.649 -15.582 -1.751
62 HG1 THR 11 1HG THR 11 7.186 -16.244 0.388
63 HG21 THR 11 1HG2 THR 11 6.110 -13.122 -1.742
64 HG22 THR 11 2HG2 THR 11 7.199 -13.119 -0.333
65 HG23 THR 11 3HG2 THR 11 7.864 -13.319 -1.972
66 H ARG 12 H ARG 12 3.958 -13.535 -2.216
67 HA ARG 12 HA ARG 12 4.640 -13.591 -4.991
68 HB2 ARG 12 1HB ARG 12 2.179 -14.806 -4.008
69 HB3 ARG 12 2HB ARG 12 1.776 -13.410 -4.987
70 HG2 ARG 12 1HG ARG 12 3.814 -14.664 -6.461
71 HG3 ARG 12 2HG ARG 12 2.901 -16.011 -5.811
72 HD2 ARG 12 1HD ARG 12 0.772 -14.788 -6.645
73 HD3 ARG 12 2HD ARG 12 1.847 -13.719 -7.524
74 HE ARG 12 HE ARG 12 2.237 -15.431 -9.068
75 HH11 ARG 12 2HH2 ARG 12 0.936 -16.834 -6.115
76 HH12 ARG 12 1HH2 ARG 12 0.785 -18.424 -6.785
77 HH21 ARG 12 2HH1 ARG 12 2.038 -17.528 -9.953
78 HH22 ARG 12 1HH1 ARG 12 1.416 -18.821 -8.983
79 H ARG 13 H ARG 13 2.325 -12.323 -2.488
80 HA ARG 13 HA ARG 13 2.911 -9.675 -3.548
81 HB2 ARG 13 1HB ARG 13 0.296 -10.704 -2.335
82 HB3 ARG 13 2HB ARG 13 0.589 -9.026 -2.745
83 HG2 ARG 13 1HG ARG 13 0.869 -11.270 -4.790
84 HG3 ARG 13 2HG ARG 13 -0.654 -10.452 -4.506
85 HD2 ARG 13 1HD ARG 13 -0.011 -8.724 -5.830
86 HD3 ARG 13 2HD ARG 13 1.384 -8.427 -4.811
87 HE ARG 13 HE ARG 13 1.761 -10.710 -6.600
88 HH11 ARG 13 2HH2 ARG 13 1.984 -7.208 -6.337
89 HH12 ARG 13 1HH2 ARG 13 3.150 -7.058 -7.609
90 HH21 ARG 13 2HH1 ARG 13 3.299 -10.513 -8.278
91 HH22 ARG 13 1HH1 ARG 13 3.903 -8.951 -8.721
92 H TRP 14 H TRP 14 2.333 -7.911 -1.746
93 HA TRP 14 HA TRP 14 3.925 -8.560 0.517
94 HB2 TRP 14 1HB TRP 14 2.271 -6.125 -0.167
95 HB3 TRP 14 2HB TRP 14 3.318 -6.250 1.232
96 HD1 TRP 14 HD TRP 14 5.969 -7.405 0.034
97 HE1 TRP 14 1HE TRP 14 7.479 -6.129 -1.713
98 HE3 TRP 14 3HE TRP 14 2.299 -4.332 -1.679
99 HZ2 TRP 14 2HZ TRP 14 6.979 -4.024 -3.575
100 HZ3 TRP 14 3HZ TRP 14 2.894 -2.695 -3.463
101 HH2 TRP 14 HH TRP 14 5.141 -2.511 -4.407
102 H ALA 15 H ALA 15 3.179 -8.508 2.779
103 HA ALA 15 HA ALA 15 0.416 -9.476 2.978
104 HB1 ALA 15 1HB ALA 15 1.380 -11.155 4.118
105 HB2 ALA 15 2HB ALA 15 2.968 -10.356 4.032
106 HB3 ALA 15 3HB ALA 15 1.854 -9.980 5.368
107 HA PRO 16 HA PRO 16 -0.611 -6.192 5.608
108 HB2 PRO 16 1HB PRO 16 -2.008 -7.301 7.679
109 HB3 PRO 16 2HB PRO 16 -2.700 -7.032 6.092
110 HG2 PRO 16 1HG PRO 16 -1.811 -9.570 7.321
111 HG3 PRO 16 2HG PRO 16 -2.872 -9.328 5.948
112 HD2 PRO 16 1HD PRO 16 -0.120 -10.130 5.868
113 HD3 PRO 16 2HD PRO 16 -1.148 -9.775 4.494
114 H GLY 17 H GLY 17 0.859 -4.905 6.512
115 HA2 GLY 17 1HA GLY 17 1.627 -4.393 8.810
116 HA3 GLY 17 2HA GLY 17 2.196 -6.049 8.892
117 H THR 18 H THR 18 2.657 -5.349 5.703
118 HA THR 18 HA THR 18 5.462 -4.752 6.151
119 HB THR 18 HB THR 18 3.774 -5.565 3.731
120 HG1 THR 18 1HG THR 18 5.947 -6.780 5.283
121 HG21 THR 18 1HG2 THR 18 6.559 -4.539 3.921
122 HG22 THR 18 2HG2 THR 18 6.439 -6.152 3.178
123 HG23 THR 18 3HG2 THR 18 5.543 -4.781 2.480
124 H GLN 19 H GLN 19 6.565 -2.930 5.522
125 HA GLN 19 HA GLN 19 4.845 -0.666 5.074
126 HB2 GLN 19 1HB GLN 19 7.804 -0.949 5.730
127 HB3 GLN 19 2HB GLN 19 7.070 0.602 5.371
128 HG2 GLN 19 1HG GLN 19 5.389 0.176 7.226
129 HG3 GLN 19 2HG GLN 19 6.255 -1.294 7.624
130 HE21 GLN 19 1HE2 GLN 19 5.781 1.126 9.187
131 HE22 GLN 19 2HE2 GLN 19 7.327 1.739 9.673
132 H CYS 20 H CYS 20 4.396 0.044 3.038
133 HA CYS 20 HA CYS 20 6.351 -0.627 0.964
134 HB2 CYS 20 1HB CYS 20 3.346 -0.275 0.814
135 HB3 CYS 20 2HB CYS 20 4.369 -0.293 -0.609
136 HG CYS 20 HG CYS 20 3.135 -2.615 1.043
137 H ILE 21 H ILE 21 6.666 1.077 -0.730
138 HA ILE 21 HA ILE 21 6.113 3.749 0.361
139 HB ILE 21 HB ILE 21 8.481 3.003 -1.344
140 HG12 ILE 21 1HG1 ILE 21 8.774 1.654 0.580
141 HG13 ILE 21 2HG1 ILE 21 9.789 3.065 0.807
142 HG21 ILE 21 1HG2 ILE 21 9.374 5.103 -0.708
143 HG22 ILE 21 2HG2 ILE 21 7.688 5.399 -1.199
144 HG23 ILE 21 3HG2 ILE 21 8.117 5.349 0.528
145 HD11 ILE 21 1HD1 ILE 21 8.769 3.296 2.825
146 HD12 ILE 21 2HD1 ILE 21 7.350 3.872 1.917
147 HD13 ILE 21 3HD1 ILE 21 7.474 2.158 2.382
148 H THR 22 H THR 22 5.673 5.440 -1.210
149 HA THR 22 HA THR 22 4.153 4.405 -3.430
150 HB THR 22 HB THR 22 3.755 6.982 -3.661
151 HG1 THR 22 1HG THR 22 5.055 8.111 -2.272
152 HG21 THR 22 1HG2 THR 22 3.110 5.432 -1.108
153 HG22 THR 22 2HG2 THR 22 2.504 7.081 -1.396
154 HG23 THR 22 3HG2 THR 22 2.029 5.755 -2.485
155 H LYS 23 H LYS 23 4.411 5.046 -5.654
156 HA LYS 23 HA LYS 23 7.250 5.336 -6.287
157 HB2 LYS 23 1HB LYS 23 4.918 4.006 -7.589
158 HB3 LYS 23 2HB LYS 23 6.143 4.683 -8.642
159 HG2 LYS 23 1HG LYS 23 7.902 3.436 -7.277
160 HG3 LYS 23 2HG LYS 23 6.598 2.660 -6.400
161 HD2 LYS 23 1HD LYS 23 6.784 2.553 -9.440
162 HD3 LYS 23 2HD LYS 23 7.582 1.373 -8.420
163 HE2 LYS 23 1HE LYS 23 5.540 0.488 -7.606
164 HE3 LYS 23 2HE LYS 23 4.640 1.944 -7.980
165 HZ1 LYS 23 1HZ LYS 23 4.730 1.440 -10.257
166 HZ2 LYS 23 2HZ LYS 23 5.828 0.248 -10.057
167 HZ3 LYS 23 3HZ LYS 23 4.300 0.050 -9.516
168 H CYS 24 H CYS 24 4.287 7.082 -6.103
169 HA CYS 24 HA CYS 24 5.571 9.291 -7.457
170 HB2 CYS 24 1HB CYS 24 3.383 9.783 -8.694
171 HB3 CYS 24 2HB CYS 24 4.411 8.523 -9.346
172 HG CYS 24 HG CYS 24 3.155 6.503 -8.550
173 H GLU 25 H GLU 25 3.719 11.240 -7.243
174 HA GLU 25 HA GLU 25 2.942 11.069 -4.441
175 HB2 GLU 25 1HB GLU 25 3.153 13.496 -4.357
176 HB3 GLU 25 2HB GLU 25 4.623 12.823 -5.032
177 HG2 GLU 25 1HG GLU 25 2.867 13.253 -7.245
178 HG3 GLU 25 2HG GLU 25 2.743 14.687 -6.246
179 H HIS 26 H HIS 26 0.810 11.560 -3.806
180 HA HIS 26 HA HIS 26 -1.011 12.219 -5.999
181 HB2 HIS 26 1HB HIS 26 -0.875 9.723 -5.020
182 HB3 HIS 26 2HB HIS 26 -1.968 10.407 -3.834
183 HD1 HIS 26 1HD HIS 26 -1.902 11.163 -7.586
184 HD2 HIS 26 2HD HIS 26 -4.379 9.408 -4.692
185 HE1 HIS 26 1HE HIS 26 -4.109 10.641 -8.755
186 H THR 27 H THR 27 -1.634 14.283 -5.551
187 HA THR 27 HA THR 27 -2.015 15.017 -2.746
188 HB THR 27 HB THR 27 -1.930 17.315 -3.644
189 HG1 THR 27 1HG THR 27 -1.551 16.075 -6.246
190 HG21 THR 27 1HG2 THR 27 0.201 17.085 -5.191
191 HG22 THR 27 2HG2 THR 27 0.336 16.596 -3.485
192 HG23 THR 27 3HG2 THR 27 0.124 15.362 -4.750
193 H ARG 28 H ARG 28 -3.779 14.602 -5.829
194 HA ARG 28 HA ARG 28 -6.195 15.077 -4.274
195 HB2 ARG 28 1HB ARG 28 -5.538 15.712 -7.179
196 HB3 ARG 28 2HB ARG 28 -7.203 15.560 -6.656
197 HG2 ARG 28 1HG ARG 28 -7.076 17.751 -6.059
198 HG3 ARG 28 2HG ARG 28 -6.120 17.217 -4.691
199 HD2 ARG 28 1HD ARG 28 -4.085 17.828 -5.687
200 HD3 ARG 28 2HD ARG 28 -4.690 17.611 -7.318
201 HE ARG 28 HE ARG 28 -5.479 19.820 -7.305
202 HH11 ARG 28 2HH2 ARG 28 -4.734 18.828 -4.013
203 HH12 ARG 28 1HH2 ARG 28 -4.943 20.415 -3.351
204 HH21 ARG 28 2HH1 ARG 28 -5.755 21.914 -6.433
205 HH22 ARG 28 1HH1 ARG 28 -5.528 22.182 -4.737
206 HA PRO 29 HA PRO 29 -6.401 10.782 -5.577
207 HB2 PRO 29 1HB PRO 29 -7.658 9.830 -3.345
208 HB3 PRO 29 2HB PRO 29 -5.915 9.885 -3.513
209 HG2 PRO 29 1HG PRO 29 -7.678 11.638 -1.914
210 HG3 PRO 29 2HG PRO 29 -5.948 11.398 -1.772
211 HD2 PRO 29 1HD PRO 29 -7.277 13.645 -2.960
212 HD3 PRO 29 2HD PRO 29 -5.550 13.349 -2.921
213 H LYS 30 H LYS 30 -8.328 9.123 -5.599
214 HA LYS 30 HA LYS 30 -10.345 10.508 -7.024
215 HB2 LYS 30 1HB LYS 30 -9.464 7.797 -6.635
216 HB3 LYS 30 2HB LYS 30 -11.196 7.874 -6.385
217 HG2 LYS 30 1HG LYS 30 -11.084 9.414 -8.597
218 HG3 LYS 30 2HG LYS 30 -9.602 8.516 -8.862
219 HD2 LYS 30 1HD LYS 30 -11.032 6.379 -8.393
220 HD3 LYS 30 2HD LYS 30 -12.427 7.419 -8.594
221 HE2 LYS 30 1HE LYS 30 -10.230 7.349 -10.696
222 HE3 LYS 30 2HE LYS 30 -11.504 6.146 -10.693
223 HZ1 LYS 30 1HZ LYS 30 -12.012 9.039 -10.701
224 HZ2 LYS 30 2HZ LYS 30 -11.980 8.116 -12.048
225 HZ3 LYS 30 3HZ LYS 30 -13.114 7.851 -10.904
226 HA PRO 31 HA PRO 31 -13.352 11.065 -3.965
227 HB2 PRO 31 1HB PRO 31 -15.703 10.134 -5.001
228 HB3 PRO 31 2HB PRO 31 -14.998 11.673 -5.456
229 HG2 PRO 31 1HG PRO 31 -15.073 9.145 -6.986
230 HG3 PRO 31 2HG PRO 31 -14.768 10.770 -7.566
231 HD2 PRO 31 1HD PRO 31 -12.819 8.712 -7.126
232 HD3 PRO 31 2HD PRO 31 -12.504 10.371 -7.594
233 H GLY 32 H GLY 32 -12.421 9.844 -2.289
234 HA2 GLY 32 1HA GLY 32 -13.541 8.440 -0.602
235 HA3 GLY 32 2HA GLY 32 -13.877 7.298 -1.887
236 H GLU 33 H GLU 33 -10.931 8.592 -2.745
237 HA GLU 33 HA GLU 33 -9.587 6.306 -1.612
238 HB2 GLU 33 1HB GLU 33 -8.941 8.268 -3.833
239 HB3 GLU 33 2HB GLU 33 -7.697 7.215 -3.188
240 HG2 GLU 33 1HG GLU 33 -9.127 6.403 -5.247
241 HG3 GLU 33 2HG GLU 33 -8.733 5.262 -3.977
242 H LEU 34 H LEU 34 -7.030 6.908 -1.195
243 HA LEU 34 HA LEU 34 -7.152 9.075 0.777
244 HB2 LEU 34 1HB LEU 34 -6.706 7.181 1.979
245 HB3 LEU 34 2HB LEU 34 -5.803 6.421 0.683
246 HG LEU 34 HG LEU 34 -4.078 8.374 1.172
247 HD11 LEU 34 1HD1 LEU 34 -3.997 8.753 3.681
248 HD12 LEU 34 2HD1 LEU 34 -5.258 9.633 2.783
249 HD13 LEU 34 3HD1 LEU 34 -5.683 8.183 3.725
250 HD21 LEU 34 1HD2 LEU 34 -2.850 6.607 1.701
251 HD22 LEU 34 2HD2 LEU 34 -3.635 6.512 3.296
252 HD23 LEU 34 3HD2 LEU 34 -4.333 5.644 1.907
253 H ALA 35 H ALA 35 -5.232 10.452 1.016
254 HA ALA 35 HA ALA 35 -3.908 10.778 -1.583
255 HB1 ALA 35 1HB ALA 35 -4.082 13.035 -1.286
256 HB2 ALA 35 2HB ALA 35 -5.415 12.571 -0.202
257 HB3 ALA 35 3HB ALA 35 -3.807 12.932 0.469
258 H PHE 36 H PHE 36 -1.602 11.389 -1.560
259 HA PHE 36 HA PHE 36 -0.106 11.224 0.819
260 HB2 PHE 36 1HB PHE 36 1.040 9.029 0.150
261 HB3 PHE 36 2HB PHE 36 -0.629 8.818 0.638
262 HD1 PHE 36 1HD PHE 36 1.662 8.883 -2.236
263 HD2 PHE 36 2HD PHE 36 -2.298 8.097 -0.929
264 HE1 PHE 36 1HE PHE 36 1.167 7.745 -4.418
265 HE2 PHE 36 2HE PHE 36 -2.793 6.960 -3.111
266 HZ PHE 36 HZ PHE 36 -1.055 6.798 -4.830
267 H ARG 37 H ARG 37 2.294 11.290 0.350
268 HA ARG 37 HA ARG 37 2.644 12.543 -2.247
269 HB2 ARG 37 1HB ARG 37 4.047 12.881 0.433
270 HB3 ARG 37 2HB ARG 37 4.814 13.432 -1.044
271 HG2 ARG 37 1HG ARG 37 1.957 14.248 -0.424
272 HG3 ARG 37 2HG ARG 37 3.292 15.098 0.329
273 HD2 ARG 37 1HD ARG 37 3.103 14.688 -2.691
274 HD3 ARG 37 2HD ARG 37 2.428 16.090 -1.885
275 HE ARG 37 HE ARG 37 5.261 15.550 -2.359
276 HH11 ARG 37 2HH2 ARG 37 2.982 17.278 -0.309
277 HH12 ARG 37 1HH2 ARG 37 4.132 18.479 0.175
278 HH21 ARG 37 2HH1 ARG 37 6.779 17.134 -1.720
279 HH22 ARG 37 1HH1 ARG 37 6.306 18.397 -0.632
280 H LYS 38 H LYS 38 5.156 12.365 -2.964
281 HA LYS 38 HA LYS 38 5.608 9.632 -3.445
282 HB2 LYS 38 1HB LYS 38 6.227 11.637 -4.895
283 HB3 LYS 38 2HB LYS 38 7.591 11.885 -3.825
284 HG2 LYS 38 1HG LYS 38 8.184 9.393 -4.254
285 HG3 LYS 38 2HG LYS 38 7.009 9.445 -5.553
286 HD2 LYS 38 1HD LYS 38 8.253 11.387 -6.568
287 HD3 LYS 38 2HD LYS 38 9.449 11.266 -5.293
288 HE2 LYS 38 1HE LYS 38 9.090 8.634 -6.441
289 HE3 LYS 38 2HE LYS 38 9.317 9.773 -7.753
290 HZ1 LYS 38 1HZ LYS 38 11.200 10.609 -6.183
291 HZ2 LYS 38 2HZ LYS 38 11.134 9.082 -5.608
292 HZ3 LYS 38 3HZ LYS 38 11.446 9.347 -7.189
293 H GLY 39 H GLY 39 7.117 8.173 -2.590
294 HA2 GLY 39 1HA GLY 39 8.461 7.259 -1.038
295 HA3 GLY 39 2HA GLY 39 9.119 8.856 -0.743
296 H ASP 40 H ASP 40 5.788 7.468 -0.290
297 HA ASP 40 HA ASP 40 5.867 8.579 2.385
298 HB2 ASP 40 1HB ASP 40 3.880 9.290 1.368
299 HB3 ASP 40 2HB ASP 40 3.712 7.823 0.425
300 H VAL 41 H VAL 41 5.510 7.201 4.236
301 HA VAL 41 HA VAL 41 5.842 4.359 3.662
302 HB VAL 41 HB VAL 41 6.293 6.090 6.090
303 HG11 VAL 41 1HG1 VAL 41 5.792 3.193 5.936
304 HG12 VAL 41 2HG1 VAL 41 7.308 3.624 6.764
305 HG13 VAL 41 3HG1 VAL 41 5.760 4.292 7.335
306 HG21 VAL 41 1HG2 VAL 41 7.996 4.805 4.017
307 HG22 VAL 41 2HG2 VAL 41 8.229 6.320 4.921
308 HG23 VAL 41 3HG2 VAL 41 8.604 4.759 5.689
309 H VAL 42 H VAL 42 4.194 2.931 3.908
310 HA VAL 42 HA VAL 42 1.954 3.760 5.602
311 HB VAL 42 HB VAL 42 0.393 2.902 3.916
312 HG11 VAL 42 1HG1 VAL 42 2.018 4.959 2.459
313 HG12 VAL 42 2HG1 VAL 42 0.262 4.877 2.735
314 HG13 VAL 42 3HG1 VAL 42 1.349 5.361 4.058
315 HG21 VAL 42 1HG2 VAL 42 1.342 1.418 2.483
316 HG22 VAL 42 2HG2 VAL 42 1.595 2.879 1.498
317 HG23 VAL 42 3HG2 VAL 42 2.921 2.240 2.499
318 H THR 43 H THR 43 0.440 1.726 5.919
319 HA THR 43 HA THR 43 2.154 -0.657 6.137
320 HB THR 43 HB THR 43 0.280 0.601 8.206
321 HG1 THR 43 1HG THR 43 2.451 1.443 8.134
322 HG21 THR 43 1HG2 THR 43 0.037 -1.833 8.406
323 HG22 THR 43 2HG2 THR 43 1.789 -2.063 8.195
324 HG23 THR 43 3HG2 THR 43 1.165 -1.289 9.671
325 H ILE 44 H ILE 44 1.359 -2.441 5.213
326 HA ILE 44 HA ILE 44 -1.060 -2.327 3.809
327 HB ILE 44 HB ILE 44 0.718 -4.641 4.581
328 HG12 ILE 44 1HG1 ILE 44 1.727 -2.819 3.185
329 HG13 ILE 44 2HG1 ILE 44 1.718 -4.403 2.437
330 HG21 ILE 44 1HG2 ILE 44 -1.879 -4.894 3.768
331 HG22 ILE 44 2HG2 ILE 44 -1.008 -4.925 2.216
332 HG23 ILE 44 3HG2 ILE 44 -0.594 -6.094 3.493
333 HD11 ILE 44 1HD1 ILE 44 0.710 -2.045 1.312
334 HD12 ILE 44 2HD1 ILE 44 0.398 -3.698 0.728
335 HD13 ILE 44 3HD1 ILE 44 -0.749 -2.917 1.843
336 H LEU 45 H LEU 45 -3.037 -2.176 4.725
337 HA LEU 45 HA LEU 45 -3.476 -3.188 7.364
338 HB2 LEU 45 1HB LEU 45 -5.385 -1.994 5.350
339 HB3 LEU 45 2HB LEU 45 -5.745 -2.320 7.034
340 HG LEU 45 HG LEU 45 -3.527 -0.448 6.182
341 HD11 LEU 45 1HD1 LEU 45 -6.460 -0.004 6.265
342 HD12 LEU 45 2HD1 LEU 45 -5.439 1.254 7.002
343 HD13 LEU 45 3HD1 LEU 45 -5.196 0.796 5.299
344 HD21 LEU 45 1HD2 LEU 45 -4.770 0.194 8.683
345 HD22 LEU 45 2HD2 LEU 45 -4.309 -1.525 8.682
346 HD23 LEU 45 3HD2 LEU 45 -3.086 -0.276 8.346
347 H GLU 46 H GLU 46 -4.836 -3.934 4.076
348 HA GLU 46 HA GLU 46 -4.976 -6.690 4.920
349 HB2 GLU 46 1HB GLU 46 -7.308 -4.944 4.647
350 HB3 GLU 46 2HB GLU 46 -7.406 -6.290 3.529
351 HG2 GLU 46 1HG GLU 46 -7.697 -7.828 5.203
352 HG3 GLU 46 2HG GLU 46 -6.479 -7.093 6.226
353 H ALA 47 H ALA 47 -4.385 -8.068 3.265
354 HA ALA 47 HA ALA 47 -3.651 -6.840 0.771
355 HB1 ALA 47 1HB ALA 47 -2.055 -8.374 1.465
356 HB2 ALA 47 2HB ALA 47 -3.265 -9.490 2.140
357 HB3 ALA 47 3HB ALA 47 -3.032 -9.390 0.378
358 H CYS 48 H CYS 48 -4.630 -7.130 -1.234
359 HA CYS 48 HA CYS 48 -6.053 -7.985 -2.734
360 HB2 CYS 48 1HB CYS 48 -6.126 -10.109 -1.238
361 HB3 CYS 48 2HB CYS 48 -7.643 -9.467 -0.639
362 HG CYS 48 HG CYS 48 -8.854 -9.244 -2.898
363 H GLU 49 H GLU 49 -7.985 -6.994 -3.530
364 HA GLU 49 HA GLU 49 -9.791 -5.836 -1.650
365 HB2 GLU 49 1HB GLU 49 -8.151 -4.060 -1.628
366 HB3 GLU 49 2HB GLU 49 -7.986 -4.094 -3.372
367 HG2 GLU 49 1HG GLU 49 -9.393 -2.212 -2.914
368 HG3 GLU 49 2HG GLU 49 -10.472 -3.456 -3.513
369 H ASN 50 H ASN 50 -8.805 -5.069 -5.067
370 HA ASN 50 HA ASN 50 -11.422 -6.089 -5.851
371 HB2 ASN 50 1HB ASN 50 -11.234 -3.564 -5.994
372 HB3 ASN 50 2HB ASN 50 -9.888 -3.748 -7.101
373 HD21 ASN 50 1HD2 ASN 50 -11.140 -2.543 -8.601
374 HD22 ASN 50 2HD2 ASN 50 -12.369 -3.293 -9.564
375 H LYS 51 H LYS 51 -8.118 -5.096 -7.041
376 HA LYS 51 HA LYS 51 -7.606 -7.634 -8.160
377 HB2 LYS 51 1HB LYS 51 -7.618 -7.046 -10.532
378 HB3 LYS 51 2HB LYS 51 -9.226 -6.945 -9.844
379 HG2 LYS 51 1HG LYS 51 -8.683 -4.407 -9.462
380 HG3 LYS 51 2HG LYS 51 -7.355 -4.663 -10.576
381 HD2 LYS 51 1HD LYS 51 -9.263 -5.790 -12.084
382 HD3 LYS 51 2HD LYS 51 -10.327 -4.804 -11.101
383 HE2 LYS 51 1HE LYS 51 -8.544 -2.883 -11.689
384 HE3 LYS 51 2HE LYS 51 -8.190 -3.930 -13.049
385 HZ1 LYS 51 1HZ LYS 51 -10.481 -2.329 -12.576
386 HZ2 LYS 51 2HZ LYS 51 -9.936 -2.971 -13.975
387 HZ3 LYS 51 3HZ LYS 51 -10.882 -3.858 -12.984
388 H SER 52 H SER 52 -6.936 -4.092 -8.620
389 HA SER 52 HA SER 52 -4.171 -4.741 -7.981
390 HB2 SER 52 1HB SER 52 -5.069 -2.774 -10.133
391 HB3 SER 52 2HB SER 52 -3.409 -3.101 -9.678
392 HG SER 52 HG SER 52 -3.637 -5.272 -10.433
393 H TRP 53 H TRP 53 -5.217 -4.046 -5.808
394 HA TRP 53 HA TRP 53 -4.596 -1.262 -5.421
395 HB2 TRP 53 1HB TRP 53 -7.403 -2.306 -5.093
396 HB3 TRP 53 2HB TRP 53 -6.814 -0.917 -4.201
397 HD1 TRP 53 HD TRP 53 -7.725 -1.968 -7.797
398 HE1 TRP 53 1HE TRP 53 -8.027 0.136 -9.361
399 HE3 TRP 53 3HE TRP 53 -6.050 1.441 -4.416
400 HZ2 TRP 53 2HZ TRP 53 -7.543 2.927 -9.016
401 HZ3 TRP 53 3HZ TRP 53 -5.996 3.835 -5.110
402 HH2 TRP 53 HH TRP 53 -6.708 4.597 -7.321
403 H TYR 54 H TYR 54 -4.542 -0.794 -3.011
404 HA TYR 54 HA TYR 54 -4.601 -3.150 -1.321
405 HB2 TYR 54 1HB TYR 54 -2.187 -1.514 -2.229
406 HB3 TYR 54 2HB TYR 54 -2.173 -2.168 -0.603
407 HD1 TYR 54 2HD TYR 54 -2.316 -4.674 -0.277
408 HD2 TYR 54 1HD TYR 54 -1.724 -2.891 -4.120
409 HE1 TYR 54 2HE TYR 54 -1.471 -6.894 -1.184
410 HE2 TYR 54 1HE TYR 54 -0.882 -5.116 -5.015
411 HH TYR 54 HH TYR 54 -1.390 -7.692 -4.199
412 H ARG 55 H ARG 55 -5.382 -2.618 0.667
413 HA ARG 55 HA ARG 55 -5.753 0.182 1.161
414 HB2 ARG 55 1HB ARG 55 -7.618 -1.459 1.519
415 HB3 ARG 55 2HB ARG 55 -6.668 -2.272 2.747
416 HG2 ARG 55 1HG ARG 55 -6.894 -0.519 4.293
417 HG3 ARG 55 2HG ARG 55 -7.112 0.697 3.050
418 HD2 ARG 55 1HD ARG 55 -9.229 -1.417 3.155
419 HD3 ARG 55 2HD ARG 55 -9.168 -0.348 4.542
420 HE ARG 55 HE ARG 55 -9.008 1.389 2.379
421 HH11 ARG 55 2HH2 ARG 55 -11.263 -1.132 3.351
422 HH12 ARG 55 1HH2 ARG 55 -12.626 -0.385 2.587
423 HH21 ARG 55 2HH1 ARG 55 -10.807 2.375 1.372
424 HH22 ARG 55 1HH1 ARG 55 -12.365 1.624 1.454
425 H VAL 56 H VAL 56 -4.038 1.248 2.120
426 HA VAL 56 HA VAL 56 -2.678 -0.172 4.306
427 HB VAL 56 HB VAL 56 -0.648 0.900 3.697
428 HG11 VAL 56 1HG1 VAL 56 -1.700 0.085 0.998
429 HG12 VAL 56 2HG1 VAL 56 -0.130 -0.268 1.759
430 HG13 VAL 56 3HG1 VAL 56 -1.598 -1.109 2.313
431 HG21 VAL 56 1HG2 VAL 56 -0.480 2.426 1.737
432 HG22 VAL 56 2HG2 VAL 56 -2.256 2.422 1.619
433 HG23 VAL 56 3HG2 VAL 56 -1.461 3.092 3.064
434 H LYS 57 H LYS 57 -1.493 1.611 5.761
435 HA LYS 57 HA LYS 57 -3.456 3.757 6.183
436 HB2 LYS 57 1HB LYS 57 -3.689 1.970 7.863
437 HB3 LYS 57 2HB LYS 57 -1.998 2.133 8.290
438 HG2 LYS 57 1HG LYS 57 -2.866 4.760 8.485
439 HG3 LYS 57 2HG LYS 57 -4.301 3.885 8.982
440 HD2 LYS 57 1HD LYS 57 -2.871 2.576 10.621
441 HD3 LYS 57 2HD LYS 57 -1.507 3.584 10.181
442 HE2 LYS 57 1HE LYS 57 -2.828 5.621 10.883
443 HE3 LYS 57 2HE LYS 57 -4.134 4.570 11.393
444 HZ1 LYS 57 1HZ LYS 57 -1.734 5.172 12.729
445 HZ2 LYS 57 2HZ LYS 57 -3.068 4.422 13.300
446 HZ3 LYS 57 3HZ LYS 57 -1.895 3.555 12.566
447 H HIS 58 H HIS 58 -2.627 5.768 6.007
448 HA HIS 58 HA HIS 58 0.167 6.053 5.577
449 HB2 HIS 58 1HB HIS 58 -1.766 7.338 4.481
450 HB3 HIS 58 2HB HIS 58 -1.841 8.279 5.957
451 HD2 HIS 58 2HD HIS 58 -0.109 8.452 2.627
452 HE1 HIS 58 1HE HIS 58 2.389 10.665 5.267
453 HE2 HIS 58 2HE HIS 58 1.872 10.044 2.809
454 H HIS 59 H HIS 59 1.759 6.642 6.998
455 HA HIS 59 HA HIS 59 1.223 6.511 9.732
456 HB2 HIS 59 1HB HIS 59 3.364 5.872 8.939
457 HB3 HIS 59 2HB HIS 59 3.613 7.399 8.116
458 HD1 HIS 59 1HD HIS 59 3.076 6.226 11.736
459 HD2 HIS 59 2HD HIS 59 5.187 9.109 9.539
460 HE1 HIS 59 1HE HIS 59 4.514 7.495 13.419
461 H THR 60 H THR 60 2.873 9.363 8.267
462 HA THR 60 HA THR 60 2.221 11.190 10.132
463 HB THR 60 HB THR 60 2.343 11.552 7.091
464 HG1 THR 60 1HG THR 60 4.272 11.740 9.297
465 HG21 THR 60 1HG2 THR 60 3.117 13.509 9.310
466 HG22 THR 60 2HG2 THR 60 3.078 13.821 7.558
467 HG23 THR 60 3HG2 THR 60 1.558 13.596 8.456
468 H SER 61 H SER 61 0.241 10.780 7.114
469 HA SER 61 HA SER 61 -1.765 12.429 7.872
470 HB2 SER 61 1HB SER 61 -1.405 10.227 5.950
471 HB3 SER 61 2HB SER 61 -3.069 10.366 6.483
472 HG SER 61 HG SER 61 -2.962 12.673 5.918
473 H GLY 62 H GLY 62 -1.621 8.816 8.317
474 HA2 GLY 62 1HA GLY 62 -2.345 7.597 10.108
475 HA3 GLY 62 2HA GLY 62 -3.001 9.042 10.850
476 H GLN 63 H GLN 63 -3.695 8.116 7.464
477 HA GLN 63 HA GLN 63 -6.416 7.526 8.340
478 HB2 GLN 63 1HB GLN 63 -5.596 8.710 5.654
479 HB3 GLN 63 2HB GLN 63 -7.230 8.498 6.251
480 HG2 GLN 63 1HG GLN 63 -7.010 10.223 7.868
481 HG3 GLN 63 2HG GLN 63 -5.259 10.142 7.863
482 HE21 GLN 63 1HE2 GLN 63 -4.374 11.855 7.025
483 HE22 GLN 63 2HE2 GLN 63 -4.922 12.768 5.659
484 H GLU 64 H GLU 64 -7.624 6.230 6.431
485 HA GLU 64 HA GLU 64 -5.733 4.269 5.404
486 HB2 GLU 64 1HB GLU 64 -8.452 3.558 6.581
487 HB3 GLU 64 2HB GLU 64 -7.223 2.441 6.021
488 HG2 GLU 64 1HG GLU 64 -5.710 3.061 7.820
489 HG3 GLU 64 2HG GLU 64 -6.707 4.428 8.275
490 H GLY 65 H GLY 65 -5.957 3.934 3.227
491 HA2 GLY 65 1HA GLY 65 -8.591 4.287 2.003
492 HA3 GLY 65 2HA GLY 65 -7.302 5.345 1.466
493 H LEU 66 H LEU 66 -8.251 3.866 -0.524
494 HA LEU 66 HA LEU 66 -6.772 1.368 -0.649
495 HB2 LEU 66 1HB LEU 66 -8.777 2.635 -2.521
496 HB3 LEU 66 2HB LEU 66 -8.005 1.084 -2.783
497 HG LEU 66 HG LEU 66 -9.663 1.667 -0.323
498 HD11 LEU 66 1HD1 LEU 66 -10.647 1.630 -2.939
499 HD12 LEU 66 2HD1 LEU 66 -11.008 0.014 -2.286
500 HD13 LEU 66 3HD1 LEU 66 -11.578 1.467 -1.431
501 HD21 LEU 66 1HD2 LEU 66 -8.532 -0.824 -1.588
502 HD22 LEU 66 2HD2 LEU 66 -8.358 -0.226 0.080
503 HD23 LEU 66 3HD2 LEU 66 -9.916 -0.887 -0.470
504 H LEU 67 H LEU 67 -4.815 1.175 -1.604
505 HA LEU 67 HA LEU 67 -3.915 3.482 -3.178
506 HB2 LEU 67 1HB LEU 67 -2.767 2.063 -1.002
507 HB3 LEU 67 2HB LEU 67 -1.787 1.730 -2.416
508 HG LEU 67 HG LEU 67 -2.545 4.551 -1.654
509 HD11 LEU 67 1HD1 LEU 67 0.077 4.215 -0.826
510 HD12 LEU 67 2HD1 LEU 67 -1.357 4.351 0.219
511 HD13 LEU 67 3HD1 LEU 67 -0.741 2.746 -0.243
512 HD21 LEU 67 1HD2 LEU 67 -0.121 4.722 -2.805
513 HD22 LEU 67 2HD2 LEU 67 -0.735 3.263 -3.620
514 HD23 LEU 67 3HD2 LEU 67 -1.649 4.787 -3.715
515 H ALA 68 H ALA 68 -2.684 3.076 -5.138
516 HA ALA 68 HA ALA 68 -3.780 0.859 -6.584
517 HB1 ALA 68 1HB ALA 68 -2.559 3.431 -7.123
518 HB2 ALA 68 2HB ALA 68 -1.776 2.166 -8.100
519 HB3 ALA 68 3HB ALA 68 -3.538 2.404 -8.197
520 H ALA 69 H ALA 69 -2.893 -1.136 -6.781
521 HA ALA 69 HA ALA 69 -0.594 -1.858 -5.407
522 HB1 ALA 69 1HB ALA 69 -0.820 -3.976 -6.704
523 HB2 ALA 69 2HB ALA 69 -2.367 -3.426 -6.017
524 HB3 ALA 69 3HB ALA 69 -2.025 -3.182 -7.746
525 H GLY 70 H GLY 70 -1.032 -0.267 -8.487
526 HA2 GLY 70 1HA GLY 70 1.687 -0.968 -9.352
527 HA3 GLY 70 2HA GLY 70 0.431 -0.222 -10.321
528 H ALA 71 H ALA 71 1.283 0.749 -6.966
529 HA ALA 71 HA ALA 71 2.811 3.004 -7.919
530 HB1 ALA 71 1HB ALA 71 -0.030 3.187 -7.014
531 HB2 ALA 71 2HB ALA 71 1.096 4.411 -6.379
532 HB3 ALA 71 3HB ALA 71 0.882 4.225 -8.136
533 H LEU 72 H LEU 72 3.061 0.490 -6.240
534 HA LEU 72 HA LEU 72 4.005 1.860 -3.828
535 HB2 LEU 72 1HB LEU 72 2.533 -0.777 -3.928
536 HB3 LEU 72 2HB LEU 72 3.333 -0.122 -2.514
537 HG LEU 72 HG LEU 72 1.147 1.409 -3.922
538 HD11 LEU 72 1HD1 LEU 72 -0.538 0.257 -2.948
539 HD12 LEU 72 2HD1 LEU 72 0.636 -1.078 -3.042
540 HD13 LEU 72 3HD1 LEU 72 0.431 -0.180 -1.519
541 HD21 LEU 72 1HD2 LEU 72 0.926 2.037 -1.319
542 HD22 LEU 72 2HD2 LEU 72 2.662 1.650 -1.381
543 HD23 LEU 72 3HD2 LEU 72 1.991 2.905 -2.451
544 H ARG 73 H ARG 73 5.863 0.806 -2.803
545 HA ARG 73 HA ARG 73 7.105 -1.225 -4.417
546 HB2 ARG 73 1HB ARG 73 9.276 0.054 -4.490
547 HB3 ARG 73 2HB ARG 73 8.005 0.825 -5.418
548 HG2 ARG 73 1HG ARG 73 8.330 2.715 -4.211
549 HG3 ARG 73 2HG ARG 73 7.729 1.876 -2.796
550 HD2 ARG 73 1HD ARG 73 9.881 1.381 -1.993
551 HD3 ARG 73 2HD ARG 73 10.602 1.401 -3.590
552 HE ARG 73 HE ARG 73 9.630 4.030 -3.006
553 HH11 ARG 73 2HH2 ARG 73 12.161 1.804 -1.997
554 HH12 ARG 73 1HH2 ARG 73 13.251 3.061 -1.514
555 HH21 ARG 73 2HH1 ARG 73 11.067 5.689 -2.369
556 HH22 ARG 73 1HH1 ARG 73 12.624 5.285 -1.727
557 H GLU 74 H GLU 74 9.343 -1.857 -3.251
558 HA GLU 74 HA GLU 74 8.634 -2.147 -0.476
559 HB2 GLU 74 1HB GLU 74 9.522 -3.995 -2.156
560 HB3 GLU 74 2HB GLU 74 11.101 -3.355 -1.745
561 HG2 GLU 74 1HG GLU 74 10.097 -3.580 0.767
562 HG3 GLU 74 2HG GLU 74 9.131 -4.820 -0.008
563 H ARG 75 H ARG 75 9.311 -0.613 0.955
564 HA ARG 75 HA ARG 75 10.899 1.429 0.526
565 HB2 ARG 75 1HB ARG 75 9.644 0.680 2.695
566 HB3 ARG 75 2HB ARG 75 11.141 -0.113 3.146
567 HG2 ARG 75 1HG ARG 75 12.367 2.013 3.062
568 HG3 ARG 75 2HG ARG 75 10.972 2.844 2.403
569 HD2 ARG 75 1HD ARG 75 9.732 2.625 4.463
570 HD3 ARG 75 2HD ARG 75 10.842 1.426 5.097
571 HE ARG 75 HE ARG 75 11.176 4.307 5.202
572 HH11 ARG 75 2HH2 ARG 75 12.962 1.282 5.003
573 HH12 ARG 75 1HH2 ARG 75 14.396 1.933 5.723
574 HH21 ARG 75 2HH1 ARG 75 13.068 5.167 6.153
575 HH22 ARG 75 1HH1 ARG 75 14.457 4.158 6.382
576 H SER 76 H SER 76 12.088 -1.713 1.947
577 HA SER 76 HA SER 76 14.031 -2.676 1.949
578 HB2 SER 76 1HB SER 76 14.285 -1.064 -0.600
579 HB3 SER 76 2HB SER 76 15.657 -1.990 -0.025
580 HG SER 76 HG SER 76 14.158 -3.114 -1.555
581 H GLY 77 H GLY 77 15.580 -2.311 3.495
582 HA2 GLY 77 1HA GLY 77 16.194 0.261 4.432
583 HA3 GLY 77 2HA GLY 77 17.025 -1.229 4.832
584 HA PRO 78 HA PRO 78 19.687 1.413 2.129
585 HB2 PRO 78 1HB PRO 78 21.439 2.419 3.970
586 HB3 PRO 78 2HB PRO 78 20.050 3.311 3.381
587 HG2 PRO 78 1HG PRO 78 20.424 1.975 5.991
588 HG3 PRO 78 2HG PRO 78 19.258 3.204 5.545
589 HD2 PRO 78 1HD PRO 78 18.758 0.397 5.860
590 HD3 PRO 78 2HD PRO 78 17.621 1.608 5.301
591 H SER 79 H SER 79 20.852 -0.280 5.003
592 HA SER 79 HA SER 79 22.469 -1.843 3.160
593 HB2 SER 79 1HB SER 79 24.412 -1.699 4.550
594 HB3 SER 79 2HB SER 79 23.837 -0.055 4.361
595 HG SER 79 HG SER 79 22.568 -0.684 6.485
596 H SER 80 H SER 80 22.894 -4.052 3.902
597 HA SER 80 HA SER 80 20.887 -4.877 5.820
598 HB2 SER 80 1HB SER 80 21.295 -7.165 4.885
599 HB3 SER 80 2HB SER 80 20.788 -6.011 3.668
600 HG SER 80 HG SER 80 22.989 -5.788 2.982
601 H GLY 81 H GLY 81 21.865 -4.517 7.852
602 HA2 GLY 81 1HA GLY 81 23.725 -6.452 8.749
603 HA3 GLY 81 2HA GLY 81 24.542 -4.925 8.482
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -18.752 -18.238 13.908
2 HA2 GLY 1 1HA GLY 1 -18.489 -20.825 14.428
3 HA3 GLY 1 2HA GLY 1 -19.515 -20.904 13.009
4 H SER 2 H SER 2 -16.288 -20.569 14.175
5 HA SER 2 HA SER 2 -15.425 -20.130 11.437
6 HB2 SER 2 1HB SER 2 -15.098 -18.248 13.532
7 HB3 SER 2 2HB SER 2 -13.527 -19.003 13.355
8 HG SER 2 HG SER 2 -13.432 -18.378 11.181
9 H SER 3 H SER 3 -12.966 -20.771 11.239
10 HA SER 3 HA SER 3 -12.432 -22.936 13.113
11 HB2 SER 3 1HB SER 3 -13.340 -23.687 10.821
12 HB3 SER 3 2HB SER 3 -11.844 -23.090 10.130
13 HG SER 3 HG SER 3 -12.307 -25.471 11.363
14 H GLY 4 H GLY 4 -10.358 -22.893 13.954
15 HA2 GLY 4 1HA GLY 4 -8.623 -20.728 13.165
16 HA3 GLY 4 2HA GLY 4 -8.385 -21.879 14.465
17 H SER 5 H SER 5 -6.827 -20.836 11.871
18 HA SER 5 HA SER 5 -5.777 -23.479 11.313
19 HB2 SER 5 1HB SER 5 -7.325 -21.966 9.456
20 HB3 SER 5 2HB SER 5 -5.664 -21.839 8.912
21 HG SER 5 HG SER 5 -7.276 -24.194 9.254
22 H SER 6 H SER 6 -3.496 -23.466 10.741
23 HA SER 6 HA SER 6 -2.204 -21.087 11.711
24 HB2 SER 6 1HB SER 6 -1.591 -23.940 11.570
25 HB3 SER 6 2HB SER 6 -0.255 -23.000 10.937
26 HG SER 6 HG SER 6 -0.851 -23.425 13.505
27 H GLY 7 H GLY 7 -0.657 -19.855 10.483
28 HA2 GLY 7 1HA GLY 7 -1.019 -20.112 7.579
29 HA3 GLY 7 2HA GLY 7 -0.484 -18.692 8.456
30 H ARG 8 H ARG 8 1.652 -18.216 8.232
31 HA ARG 8 HA ARG 8 3.784 -18.424 7.952
32 HB2 ARG 8 1HB ARG 8 3.230 -21.139 9.205
33 HB3 ARG 8 2HB ARG 8 4.851 -20.740 8.669
34 HG2 ARG 8 1HG ARG 8 5.116 -19.032 10.260
35 HG3 ARG 8 2HG ARG 8 3.394 -18.729 10.385
36 HD2 ARG 8 1HD ARG 8 3.657 -21.401 11.240
37 HD3 ARG 8 2HD ARG 8 5.071 -20.614 11.912
38 HE ARG 8 HE ARG 8 2.324 -20.206 12.740
39 HH11 ARG 8 2HH2 ARG 8 5.417 -18.561 12.415
40 HH12 ARG 8 1HH2 ARG 8 5.074 -17.400 13.654
41 HH21 ARG 8 2HH1 ARG 8 1.871 -18.675 14.375
42 HH22 ARG 8 1HH1 ARG 8 3.044 -17.465 14.776
43 H MET 9 H MET 9 3.759 -18.235 5.647
44 HA MET 9 HA MET 9 4.872 -20.341 4.259
45 HB2 MET 9 1HB MET 9 1.917 -20.316 4.385
46 HB3 MET 9 2HB MET 9 2.479 -20.207 2.729
47 HG2 MET 9 1HG MET 9 3.432 -22.330 2.757
48 HG3 MET 9 2HG MET 9 3.860 -22.239 4.453
49 HE1 MET 9 1HE MET 9 1.974 -23.621 1.906
50 HE2 MET 9 2HE MET 9 0.548 -24.419 2.613
51 HE3 MET 9 3HE MET 9 0.447 -22.723 2.083
52 HA PRO 10 HA PRO 10 5.538 -16.958 1.622
53 HB2 PRO 10 1HB PRO 10 6.512 -18.193 -0.613
54 HB3 PRO 10 2HB PRO 10 7.486 -17.876 0.809
55 HG2 PRO 10 1HG PRO 10 6.339 -20.438 -0.117
56 HG3 PRO 10 2HG PRO 10 7.637 -20.167 1.028
57 HD2 PRO 10 1HD PRO 10 4.930 -20.888 1.642
58 HD3 PRO 10 2HD PRO 10 6.198 -20.503 2.789
59 H THR 11 H THR 11 4.287 -15.563 0.543
60 HA THR 11 HA THR 11 2.521 -16.771 -1.457
61 HB THR 11 HB THR 11 0.632 -15.400 -0.477
62 HG1 THR 11 1HG THR 11 2.678 -15.146 1.616
63 HG21 THR 11 1HG2 THR 11 1.973 -17.223 1.590
64 HG22 THR 11 2HG2 THR 11 0.259 -16.745 1.567
65 HG23 THR 11 3HG2 THR 11 0.907 -17.796 0.285
66 H ARG 12 H ARG 12 2.353 -15.629 -3.312
67 HA ARG 12 HA ARG 12 4.170 -13.687 -3.844
68 HB2 ARG 12 1HB ARG 12 2.197 -15.082 -5.264
69 HB3 ARG 12 2HB ARG 12 1.669 -13.418 -5.418
70 HG2 ARG 12 1HG ARG 12 4.065 -12.831 -6.133
71 HG3 ARG 12 2HG ARG 12 4.395 -14.552 -6.190
72 HD2 ARG 12 1HD ARG 12 2.194 -14.610 -7.713
73 HD3 ARG 12 2HD ARG 12 2.564 -12.914 -7.956
74 HE ARG 12 HE ARG 12 4.897 -14.638 -8.327
75 HH11 ARG 12 2HH2 ARG 12 2.050 -13.291 -9.897
76 HH12 ARG 12 1HH2 ARG 12 2.703 -13.442 -11.495
77 HH21 ARG 12 2HH1 ARG 12 5.758 -14.837 -10.434
78 HH22 ARG 12 1HH1 ARG 12 4.826 -14.327 -11.802
79 H ARG 13 H ARG 13 3.745 -11.333 -4.496
80 HA ARG 13 HA ARG 13 2.998 -9.332 -4.133
81 HB2 ARG 13 1HB ARG 13 0.530 -10.479 -2.745
82 HB3 ARG 13 2HB ARG 13 0.683 -8.893 -3.475
83 HG2 ARG 13 1HG ARG 13 0.829 -11.546 -4.985
84 HG3 ARG 13 2HG ARG 13 -0.564 -10.484 -4.944
85 HD2 ARG 13 1HD ARG 13 0.778 -8.664 -6.007
86 HD3 ARG 13 2HD ARG 13 2.189 -9.703 -6.024
87 HE ARG 13 HE ARG 13 1.304 -10.852 -7.866
88 HH11 ARG 13 2HH2 ARG 13 -1.239 -8.949 -6.350
89 HH12 ARG 13 1HH2 ARG 13 -2.389 -9.247 -7.611
90 HH21 ARG 13 2HH1 ARG 13 -0.214 -11.245 -9.529
91 HH22 ARG 13 1HH1 ARG 13 -1.802 -10.562 -9.431
92 H TRP 14 H TRP 14 1.958 -7.899 -2.061
93 HA TRP 14 HA TRP 14 3.777 -8.553 0.095
94 HB2 TRP 14 1HB TRP 14 2.054 -6.141 -0.489
95 HB3 TRP 14 2HB TRP 14 3.037 -6.312 0.952
96 HD1 TRP 14 HD TRP 14 5.817 -7.151 -0.013
97 HE1 TRP 14 1HE TRP 14 7.348 -5.777 -1.666
98 HE3 TRP 14 3HE TRP 14 2.042 -4.471 -2.115
99 HZ2 TRP 14 2HZ TRP 14 6.820 -3.769 -3.623
100 HZ3 TRP 14 3HZ TRP 14 2.636 -2.824 -3.890
101 HH2 TRP 14 HH TRP 14 4.929 -2.452 -4.649
102 H ALA 15 H ALA 15 2.866 -8.261 2.413
103 HA ALA 15 HA ALA 15 0.183 -9.465 2.512
104 HB1 ALA 15 1HB ALA 15 1.762 -10.009 4.866
105 HB2 ALA 15 2HB ALA 15 1.067 -11.156 3.696
106 HB3 ALA 15 3HB ALA 15 2.687 -10.472 3.418
107 HA PRO 16 HA PRO 16 -0.903 -6.370 5.345
108 HB2 PRO 16 1HB PRO 16 -2.191 -7.622 7.405
109 HB3 PRO 16 2HB PRO 16 -2.941 -7.315 5.851
110 HG2 PRO 16 1HG PRO 16 -1.915 -9.863 6.943
111 HG3 PRO 16 2HG PRO 16 -3.026 -9.607 5.612
112 HD2 PRO 16 1HD PRO 16 -0.247 -10.292 5.420
113 HD3 PRO 16 2HD PRO 16 -1.329 -9.922 4.092
114 H GLY 17 H GLY 17 0.597 -5.088 6.215
115 HA2 GLY 17 1HA GLY 17 1.412 -4.605 8.502
116 HA3 GLY 17 2HA GLY 17 2.001 -6.255 8.546
117 H THR 18 H THR 18 2.489 -5.738 5.405
118 HA THR 18 HA THR 18 5.258 -5.076 5.778
119 HB THR 18 HB THR 18 3.454 -5.881 3.457
120 HG1 THR 18 1HG THR 18 5.089 -7.670 3.656
121 HG21 THR 18 1HG2 THR 18 6.280 -6.072 2.844
122 HG22 THR 18 2HG2 THR 18 5.015 -5.216 1.930
123 HG23 THR 18 3HG2 THR 18 5.899 -4.377 3.227
124 H GLN 19 H GLN 19 6.396 -3.272 5.095
125 HA GLN 19 HA GLN 19 4.704 -0.953 4.811
126 HB2 GLN 19 1HB GLN 19 7.657 -1.342 5.417
127 HB3 GLN 19 2HB GLN 19 6.997 0.242 5.060
128 HG2 GLN 19 1HG GLN 19 5.288 -0.135 6.919
129 HG3 GLN 19 2HG GLN 19 6.139 -1.611 7.331
130 HE21 GLN 19 1HE2 GLN 19 5.699 1.241 8.484
131 HE22 GLN 19 2HE2 GLN 19 7.259 1.700 9.083
132 H CYS 20 H CYS 20 4.533 0.270 2.940
133 HA CYS 20 HA CYS 20 6.314 -0.512 0.750
134 HB2 CYS 20 1HB CYS 20 4.323 -0.046 -0.778
135 HB3 CYS 20 2HB CYS 20 4.285 -1.537 0.142
136 HG CYS 20 HG CYS 20 1.986 -1.017 0.646
137 H ILE 21 H ILE 21 6.550 1.288 -0.901
138 HA ILE 21 HA ILE 21 6.075 3.904 0.349
139 HB ILE 21 HB ILE 21 8.459 3.210 -1.357
140 HG12 ILE 21 1HG1 ILE 21 8.680 1.774 0.526
141 HG13 ILE 21 2HG1 ILE 21 9.744 3.142 0.793
142 HG21 ILE 21 1HG2 ILE 21 9.143 5.326 -1.056
143 HG22 ILE 21 2HG2 ILE 21 7.428 5.644 -0.705
144 HG23 ILE 21 3HG2 ILE 21 8.576 5.385 0.630
145 HD11 ILE 21 1HD1 ILE 21 7.420 2.261 2.357
146 HD12 ILE 21 2HD1 ILE 21 8.730 3.377 2.811
147 HD13 ILE 21 3HD1 ILE 21 7.313 3.983 1.921
148 H THR 22 H THR 22 5.325 5.558 -0.999
149 HA THR 22 HA THR 22 4.021 4.649 -3.380
150 HB THR 22 HB THR 22 3.080 6.916 -3.340
151 HG1 THR 22 1HG THR 22 4.231 8.518 -2.193
152 HG21 THR 22 1HG2 THR 22 1.872 6.275 -1.505
153 HG22 THR 22 2HG2 THR 22 3.233 5.312 -0.883
154 HG23 THR 22 3HG2 THR 22 3.127 7.049 -0.510
155 H LYS 23 H LYS 23 4.885 4.444 -5.338
156 HA LYS 23 HA LYS 23 7.486 5.375 -5.879
157 HB2 LYS 23 1HB LYS 23 5.293 4.116 -7.523
158 HB3 LYS 23 2HB LYS 23 6.768 4.688 -8.278
159 HG2 LYS 23 1HG LYS 23 8.101 3.083 -7.237
160 HG3 LYS 23 2HG LYS 23 7.084 2.996 -5.813
161 HD2 LYS 23 1HD LYS 23 6.820 0.915 -7.046
162 HD3 LYS 23 2HD LYS 23 5.322 1.814 -7.182
163 HE2 LYS 23 1HE LYS 23 5.633 2.281 -9.445
164 HE3 LYS 23 2HE LYS 23 7.380 2.313 -9.314
165 HZ1 LYS 23 1HZ LYS 23 7.346 0.261 -10.070
166 HZ2 LYS 23 2HZ LYS 23 6.628 -0.242 -8.692
167 HZ3 LYS 23 3HZ LYS 23 5.718 0.161 -9.987
168 H CYS 24 H CYS 24 4.280 6.800 -6.119
169 HA CYS 24 HA CYS 24 5.551 9.167 -7.260
170 HB2 CYS 24 1HB CYS 24 3.398 9.567 -8.556
171 HB3 CYS 24 2HB CYS 24 4.462 8.318 -9.172
172 HG CYS 24 HG CYS 24 2.647 6.796 -9.373
173 H GLU 25 H GLU 25 3.672 11.046 -7.030
174 HA GLU 25 HA GLU 25 2.763 10.755 -4.276
175 HB2 GLU 25 1HB GLU 25 2.899 13.222 -4.135
176 HB3 GLU 25 2HB GLU 25 4.443 12.530 -4.593
177 HG2 GLU 25 1HG GLU 25 3.086 12.961 -7.048
178 HG3 GLU 25 2HG GLU 25 2.732 14.383 -6.085
179 H HIS 26 H HIS 26 0.616 11.418 -3.708
180 HA HIS 26 HA HIS 26 -1.091 12.021 -6.007
181 HB2 HIS 26 1HB HIS 26 -1.050 9.569 -4.824
182 HB3 HIS 26 2HB HIS 26 -2.269 10.367 -3.850
183 HD1 HIS 26 1HD HIS 26 -1.859 11.112 -7.547
184 HD2 HIS 26 2HD HIS 26 -4.425 9.000 -4.988
185 HE1 HIS 26 1HE HIS 26 -3.871 10.426 -8.959
186 H THR 27 H THR 27 -1.656 14.123 -5.665
187 HA THR 27 HA THR 27 -2.082 15.020 -2.926
188 HB THR 27 HB THR 27 -1.878 17.218 -3.889
189 HG1 THR 27 1HG THR 27 -2.169 15.826 -6.453
190 HG21 THR 27 1HG2 THR 27 0.280 17.048 -4.638
191 HG22 THR 27 2HG2 THR 27 0.090 15.282 -4.519
192 HG23 THR 27 3HG2 THR 27 -0.233 16.110 -6.061
193 H ARG 28 H ARG 28 -3.883 14.744 -6.048
194 HA ARG 28 HA ARG 28 -6.283 15.039 -4.425
195 HB2 ARG 28 1HB ARG 28 -5.545 16.040 -7.167
196 HB3 ARG 28 2HB ARG 28 -7.210 15.542 -6.939
197 HG2 ARG 28 1HG ARG 28 -5.788 17.487 -5.065
198 HG3 ARG 28 2HG ARG 28 -6.717 18.011 -6.456
199 HD2 ARG 28 1HD ARG 28 -8.691 17.721 -5.357
200 HD3 ARG 28 2HD ARG 28 -8.262 16.093 -4.873
201 HE ARG 28 HE ARG 28 -6.758 17.971 -3.298
202 HH11 ARG 28 2HH2 ARG 28 -10.029 16.730 -3.683
203 HH12 ARG 28 1HH2 ARG 28 -10.476 17.039 -2.038
204 HH21 ARG 28 2HH1 ARG 28 -7.349 18.379 -1.129
205 HH22 ARG 28 1HH1 ARG 28 -8.942 17.984 -0.576
206 HA PRO 29 HA PRO 29 -6.463 10.835 -5.995
207 HB2 PRO 29 1HB PRO 29 -7.695 9.734 -3.819
208 HB3 PRO 29 2HB PRO 29 -5.953 9.816 -3.995
209 HG2 PRO 29 1HG PRO 29 -7.722 11.448 -2.279
210 HG3 PRO 29 2HG PRO 29 -5.989 11.217 -2.163
211 HD2 PRO 29 1HD PRO 29 -7.348 13.521 -3.199
212 HD3 PRO 29 2HD PRO 29 -5.618 13.240 -3.190
213 H LYS 30 H LYS 30 -8.371 9.162 -6.116
214 HA LYS 30 HA LYS 30 -10.393 10.578 -7.474
215 HB2 LYS 30 1HB LYS 30 -9.535 7.855 -7.124
216 HB3 LYS 30 2HB LYS 30 -11.266 7.942 -6.867
217 HG2 LYS 30 1HG LYS 30 -11.145 9.514 -9.058
218 HG3 LYS 30 2HG LYS 30 -9.677 8.600 -9.341
219 HD2 LYS 30 1HD LYS 30 -11.149 6.479 -8.874
220 HD3 LYS 30 2HD LYS 30 -12.519 7.549 -9.097
221 HE2 LYS 30 1HE LYS 30 -12.178 7.739 -11.368
222 HE3 LYS 30 2HE LYS 30 -10.433 7.789 -11.210
223 HZ1 LYS 30 1HZ LYS 30 -10.458 5.418 -10.827
224 HZ2 LYS 30 2HZ LYS 30 -12.084 5.370 -10.967
225 HZ3 LYS 30 3HZ LYS 30 -11.165 5.770 -12.256
226 HA PRO 31 HA PRO 31 -13.391 11.128 -4.406
227 HB2 PRO 31 1HB PRO 31 -15.753 10.247 -5.461
228 HB3 PRO 31 2HB PRO 31 -15.028 11.783 -5.888
229 HG2 PRO 31 1HG PRO 31 -15.135 9.283 -7.461
230 HG3 PRO 31 2HG PRO 31 -14.807 10.914 -8.013
231 HD2 PRO 31 1HD PRO 31 -12.888 8.822 -7.606
232 HD3 PRO 31 2HD PRO 31 -12.549 10.484 -8.045
233 H GLY 32 H GLY 32 -12.598 9.942 -2.678
234 HA2 GLY 32 1HA GLY 32 -13.654 8.513 -1.030
235 HA3 GLY 32 2HA GLY 32 -14.086 7.410 -2.321
236 H GLU 33 H GLU 33 -10.951 9.038 -2.475
237 HA GLU 33 HA GLU 33 -9.729 6.522 -1.642
238 HB2 GLU 33 1HB GLU 33 -9.186 8.324 -3.989
239 HB3 GLU 33 2HB GLU 33 -7.816 7.512 -3.258
240 HG2 GLU 33 1HG GLU 33 -9.183 5.325 -3.443
241 HG3 GLU 33 2HG GLU 33 -10.311 6.220 -4.442
242 H LEU 34 H LEU 34 -7.124 7.117 -1.322
243 HA LEU 34 HA LEU 34 -7.188 9.313 0.623
244 HB2 LEU 34 1HB LEU 34 -6.773 7.398 1.831
245 HB3 LEU 34 2HB LEU 34 -5.835 6.651 0.552
246 HG LEU 34 HG LEU 34 -4.175 8.676 1.084
247 HD11 LEU 34 1HD1 LEU 34 -4.178 9.480 3.253
248 HD12 LEU 34 2HD1 LEU 34 -5.913 9.453 2.856
249 HD13 LEU 34 3HD1 LEU 34 -5.209 8.161 3.858
250 HD21 LEU 34 1HD2 LEU 34 -4.246 5.934 1.570
251 HD22 LEU 34 2HD2 LEU 34 -2.830 7.008 1.681
252 HD23 LEU 34 3HD2 LEU 34 -3.794 6.652 3.134
253 H ALA 35 H ALA 35 -5.317 10.725 0.760
254 HA ALA 35 HA ALA 35 -3.910 10.859 -1.817
255 HB1 ALA 35 1HB ALA 35 -4.195 13.125 -1.792
256 HB2 ALA 35 2HB ALA 35 -5.572 12.720 -0.739
257 HB3 ALA 35 3HB ALA 35 -4.025 13.233 -0.024
258 H PHE 36 H PHE 36 -1.645 11.168 -1.822
259 HA PHE 36 HA PHE 36 -0.295 11.410 0.710
260 HB2 PHE 36 1HB PHE 36 1.026 9.265 0.138
261 HB3 PHE 36 2HB PHE 36 -0.637 8.984 0.614
262 HD1 PHE 36 2HD PHE 36 1.683 9.072 -2.239
263 HD2 PHE 36 1HD PHE 36 -2.236 8.097 -0.935
264 HE1 PHE 36 2HE PHE 36 1.282 7.823 -4.379
265 HE2 PHE 36 1HE PHE 36 -2.637 6.849 -3.075
266 HZ PHE 36 HZ PHE 36 -0.874 6.727 -4.772
267 H ARG 37 H ARG 37 2.255 11.104 0.185
268 HA ARG 37 HA ARG 37 2.635 12.672 -2.232
269 HB2 ARG 37 1HB ARG 37 4.098 12.556 0.427
270 HB3 ARG 37 2HB ARG 37 4.936 13.154 -0.990
271 HG2 ARG 37 1HG ARG 37 2.231 14.240 -0.085
272 HG3 ARG 37 2HG ARG 37 3.756 14.930 0.436
273 HD2 ARG 37 1HD ARG 37 4.168 15.910 -1.609
274 HD3 ARG 37 2HD ARG 37 3.547 14.541 -2.510
275 HE ARG 37 HE ARG 37 1.378 15.485 -2.457
276 HH11 ARG 37 2HH2 ARG 37 3.561 17.299 -0.377
277 HH12 ARG 37 1HH2 ARG 37 2.464 18.623 -0.165
278 HH21 ARG 37 2HH1 ARG 37 -0.069 17.231 -2.178
279 HH22 ARG 37 1HH1 ARG 37 0.385 18.584 -1.196
280 H LYS 38 H LYS 38 5.282 12.385 -2.814
281 HA LYS 38 HA LYS 38 5.439 9.576 -3.513
282 HB2 LYS 38 1HB LYS 38 5.742 11.146 -5.307
283 HB3 LYS 38 2HB LYS 38 6.961 12.034 -4.415
284 HG2 LYS 38 1HG LYS 38 8.010 9.466 -4.367
285 HG3 LYS 38 2HG LYS 38 7.206 9.482 -5.924
286 HD2 LYS 38 1HD LYS 38 8.523 11.994 -5.749
287 HD3 LYS 38 2HD LYS 38 9.669 10.835 -5.107
288 HE2 LYS 38 1HE LYS 38 8.337 9.805 -7.522
289 HE3 LYS 38 2HE LYS 38 9.138 11.333 -7.833
290 HZ1 LYS 38 1HZ LYS 38 11.063 10.299 -7.762
291 HZ2 LYS 38 2HZ LYS 38 10.789 9.718 -6.261
292 HZ3 LYS 38 3HZ LYS 38 10.308 8.864 -7.567
293 H GLY 39 H GLY 39 6.412 8.180 -2.155
294 HA2 GLY 39 1HA GLY 39 8.337 7.372 -1.118
295 HA3 GLY 39 2HA GLY 39 8.932 9.007 -0.907
296 H ASP 40 H ASP 40 5.678 7.618 -0.114
297 HA ASP 40 HA ASP 40 6.126 8.576 2.591
298 HB2 ASP 40 1HB ASP 40 3.848 8.524 0.761
299 HB3 ASP 40 2HB ASP 40 3.428 7.710 2.255
300 H VAL 41 H VAL 41 5.782 7.107 4.385
301 HA VAL 41 HA VAL 41 5.943 4.310 3.632
302 HB VAL 41 HB VAL 41 6.342 5.833 6.207
303 HG11 VAL 41 1HG1 VAL 41 7.300 3.125 6.357
304 HG12 VAL 41 2HG1 VAL 41 6.130 3.964 7.403
305 HG13 VAL 41 3HG1 VAL 41 5.569 3.117 5.941
306 HG21 VAL 41 1HG2 VAL 41 8.369 6.140 5.297
307 HG22 VAL 41 2HG2 VAL 41 8.643 4.411 5.620
308 HG23 VAL 41 3HG2 VAL 41 8.073 4.938 4.018
309 H VAL 42 H VAL 42 4.362 2.782 4.023
310 HA VAL 42 HA VAL 42 2.098 3.543 5.664
311 HB VAL 42 HB VAL 42 0.598 2.707 3.733
312 HG11 VAL 42 1HG1 VAL 42 -0.048 4.847 3.613
313 HG12 VAL 42 2HG1 VAL 42 1.354 5.231 4.640
314 HG13 VAL 42 3HG1 VAL 42 1.489 5.349 2.869
315 HG21 VAL 42 1HG2 VAL 42 2.869 2.226 2.405
316 HG22 VAL 42 2HG2 VAL 42 1.361 2.682 1.579
317 HG23 VAL 42 3HG2 VAL 42 2.613 3.909 1.886
318 H THR 43 H THR 43 0.754 1.657 6.227
319 HA THR 43 HA THR 43 2.298 -0.834 5.923
320 HB THR 43 HB THR 43 0.528 0.255 8.171
321 HG1 THR 43 1HG THR 43 2.842 0.920 7.874
322 HG21 THR 43 1HG2 THR 43 1.842 -2.476 7.764
323 HG22 THR 43 2HG2 THR 43 1.431 -1.842 9.375
324 HG23 THR 43 3HG2 THR 43 0.145 -2.143 8.182
325 H ILE 44 H ILE 44 1.295 -2.724 5.293
326 HA ILE 44 HA ILE 44 -1.116 -2.326 3.808
327 HB ILE 44 HB ILE 44 0.648 -4.720 4.310
328 HG12 ILE 44 1HG1 ILE 44 1.564 -2.812 2.957
329 HG13 ILE 44 2HG1 ILE 44 1.503 -4.354 2.127
330 HG21 ILE 44 1HG2 ILE 44 -2.038 -4.803 3.566
331 HG22 ILE 44 2HG2 ILE 44 -1.141 -4.953 2.036
332 HG23 ILE 44 3HG2 ILE 44 -0.825 -6.091 3.368
333 HD11 ILE 44 1HD1 ILE 44 0.195 -3.470 0.507
334 HD12 ILE 44 2HD1 ILE 44 -1.019 -2.987 1.717
335 HD13 ILE 44 3HD1 ILE 44 0.320 -1.887 1.312
336 H LEU 45 H LEU 45 -2.983 -2.057 4.941
337 HA LEU 45 HA LEU 45 -3.387 -3.240 7.471
338 HB2 LEU 45 1HB LEU 45 -5.261 -1.912 5.512
339 HB3 LEU 45 2HB LEU 45 -5.737 -2.441 7.113
340 HG LEU 45 HG LEU 45 -3.520 -0.442 6.605
341 HD11 LEU 45 1HD1 LEU 45 -4.963 1.286 6.570
342 HD12 LEU 45 2HD1 LEU 45 -6.105 0.054 5.981
343 HD13 LEU 45 3HD1 LEU 45 -6.096 0.510 7.702
344 HD21 LEU 45 1HD2 LEU 45 -4.372 0.082 9.094
345 HD22 LEU 45 2HD2 LEU 45 -4.735 -1.659 9.027
346 HD23 LEU 45 3HD2 LEU 45 -3.077 -1.083 8.731
347 H GLU 46 H GLU 46 -4.945 -3.883 4.246
348 HA GLU 46 HA GLU 46 -5.057 -6.667 5.054
349 HB2 GLU 46 1HB GLU 46 -7.295 -5.213 5.343
350 HB3 GLU 46 2HB GLU 46 -7.446 -5.518 3.624
351 HG2 GLU 46 1HG GLU 46 -7.944 -7.730 3.933
352 HG3 GLU 46 2HG GLU 46 -6.695 -7.942 5.144
353 H ALA 47 H ALA 47 -4.470 -8.063 3.410
354 HA ALA 47 HA ALA 47 -3.825 -6.812 0.865
355 HB1 ALA 47 1HB ALA 47 -2.067 -8.206 0.959
356 HB2 ALA 47 2HB ALA 47 -2.646 -8.784 2.540
357 HB3 ALA 47 3HB ALA 47 -3.150 -9.615 1.048
358 H CYS 48 H CYS 48 -5.399 -6.769 -0.659
359 HA CYS 48 HA CYS 48 -6.487 -9.016 -1.743
360 HB2 CYS 48 1HB CYS 48 -7.759 -9.574 0.167
361 HB3 CYS 48 2HB CYS 48 -8.227 -7.912 0.466
362 HG CYS 48 HG CYS 48 -10.330 -8.145 -0.589
363 H GLU 49 H GLU 49 -8.639 -6.314 -0.776
364 HA GLU 49 HA GLU 49 -9.455 -4.615 -1.852
365 HB2 GLU 49 1HB GLU 49 -6.659 -4.520 -2.446
366 HB3 GLU 49 2HB GLU 49 -7.497 -4.099 -3.927
367 HG2 GLU 49 1HG GLU 49 -7.926 -2.796 -1.196
368 HG3 GLU 49 2HG GLU 49 -7.077 -2.081 -2.552
369 H ASN 50 H ASN 50 -7.602 -5.951 -4.667
370 HA ASN 50 HA ASN 50 -9.611 -7.469 -5.715
371 HB2 ASN 50 1HB ASN 50 -10.400 -4.805 -5.884
372 HB3 ASN 50 2HB ASN 50 -9.616 -5.027 -7.435
373 HD21 ASN 50 1HD2 ASN 50 -12.339 -4.528 -7.098
374 HD22 ASN 50 2HD2 ASN 50 -13.258 -5.890 -7.645
375 H LYS 51 H LYS 51 -6.775 -7.522 -5.456
376 HA LYS 51 HA LYS 51 -4.840 -7.650 -6.549
377 HB2 LYS 51 1HB LYS 51 -6.752 -8.798 -8.600
378 HB3 LYS 51 2HB LYS 51 -5.009 -8.938 -8.711
379 HG2 LYS 51 1HG LYS 51 -5.058 -9.957 -6.344
380 HG3 LYS 51 2HG LYS 51 -6.803 -10.021 -6.494
381 HD2 LYS 51 1HD LYS 51 -6.696 -11.895 -7.772
382 HD3 LYS 51 2HD LYS 51 -5.590 -11.132 -8.896
383 HE2 LYS 51 1HE LYS 51 -3.776 -12.185 -7.995
384 HE3 LYS 51 2HE LYS 51 -4.255 -11.788 -6.357
385 HZ1 LYS 51 1HZ LYS 51 -5.176 -14.046 -7.979
386 HZ2 LYS 51 2HZ LYS 51 -4.386 -14.091 -6.551
387 HZ3 LYS 51 3HZ LYS 51 -5.941 -13.596 -6.608
388 H SER 52 H SER 52 -4.776 -5.208 -6.493
389 HA SER 52 HA SER 52 -3.675 -4.191 -8.674
390 HB2 SER 52 1HB SER 52 -6.638 -4.182 -8.973
391 HB3 SER 52 2HB SER 52 -5.867 -2.647 -9.315
392 HG SER 52 HG SER 52 -4.588 -4.895 -10.447
393 H TRP 53 H TRP 53 -5.880 -3.747 -5.935
394 HA TRP 53 HA TRP 53 -4.546 -1.185 -5.378
395 HB2 TRP 53 1HB TRP 53 -7.440 -1.954 -5.052
396 HB3 TRP 53 2HB TRP 53 -6.717 -0.654 -4.125
397 HD1 TRP 53 HD TRP 53 -7.638 -1.531 -7.777
398 HE1 TRP 53 1HE TRP 53 -7.766 0.640 -9.271
399 HE3 TRP 53 3HE TRP 53 -5.848 1.647 -4.235
400 HZ2 TRP 53 2HZ TRP 53 -7.118 3.381 -8.815
401 HZ3 TRP 53 3HZ TRP 53 -5.627 4.055 -4.840
402 HH2 TRP 53 HH TRP 53 -6.228 4.936 -7.040
403 H TYR 54 H TYR 54 -4.542 -0.738 -2.928
404 HA TYR 54 HA TYR 54 -4.736 -3.128 -1.297
405 HB2 TYR 54 1HB TYR 54 -2.238 -1.626 -2.182
406 HB3 TYR 54 2HB TYR 54 -2.267 -2.223 -0.535
407 HD1 TYR 54 2HD TYR 54 -2.731 -4.749 -0.189
408 HD2 TYR 54 1HD TYR 54 -1.625 -3.046 -3.955
409 HE1 TYR 54 2HE TYR 54 -1.984 -7.036 -1.013
410 HE2 TYR 54 1HE TYR 54 -0.881 -5.338 -4.765
411 HH TYR 54 HH TYR 54 -0.870 -7.476 -4.346
412 H ARG 55 H ARG 55 -5.564 -2.594 0.667
413 HA ARG 55 HA ARG 55 -5.866 0.184 1.218
414 HB2 ARG 55 1HB ARG 55 -7.694 -1.506 1.625
415 HB3 ARG 55 2HB ARG 55 -6.704 -2.264 2.856
416 HG2 ARG 55 1HG ARG 55 -6.616 0.079 3.990
417 HG3 ARG 55 2HG ARG 55 -7.911 0.531 2.899
418 HD2 ARG 55 1HD ARG 55 -8.938 -1.819 3.835
419 HD3 ARG 55 2HD ARG 55 -7.958 -1.374 5.219
420 HE ARG 55 HE ARG 55 -9.353 0.964 4.491
421 HH11 ARG 55 2HH2 ARG 55 -10.166 -2.286 5.566
422 HH12 ARG 55 1HH2 ARG 55 -11.643 -1.802 6.330
423 HH21 ARG 55 2HH1 ARG 55 -11.301 1.604 5.498
424 HH22 ARG 55 1HH1 ARG 55 -12.293 0.426 6.291
425 H VAL 56 H VAL 56 -4.154 1.274 2.150
426 HA VAL 56 HA VAL 56 -2.688 -0.151 4.263
427 HB VAL 56 HB VAL 56 -0.713 0.975 3.611
428 HG11 VAL 56 1HG1 VAL 56 -2.071 0.090 1.045
429 HG12 VAL 56 2HG1 VAL 56 -0.324 0.122 1.382
430 HG13 VAL 56 3HG1 VAL 56 -1.379 -1.013 2.258
431 HG21 VAL 56 1HG2 VAL 56 -1.626 3.178 3.115
432 HG22 VAL 56 2HG2 VAL 56 -0.630 2.610 1.754
433 HG23 VAL 56 3HG2 VAL 56 -2.405 2.551 1.642
434 H LYS 57 H LYS 57 -1.452 1.717 5.646
435 HA LYS 57 HA LYS 57 -3.517 3.717 6.254
436 HB2 LYS 57 1HB LYS 57 -3.389 1.813 7.895
437 HB3 LYS 57 2HB LYS 57 -1.750 2.305 8.270
438 HG2 LYS 57 1HG LYS 57 -2.959 4.715 8.557
439 HG3 LYS 57 2HG LYS 57 -4.344 3.696 8.894
440 HD2 LYS 57 1HD LYS 57 -3.043 2.492 10.651
441 HD3 LYS 57 2HD LYS 57 -1.640 3.481 10.302
442 HE2 LYS 57 1HE LYS 57 -2.475 4.779 12.011
443 HE3 LYS 57 2HE LYS 57 -3.451 5.468 10.729
444 HZ1 LYS 57 1HZ LYS 57 -4.940 4.863 12.370
445 HZ2 LYS 57 2HZ LYS 57 -5.076 3.642 11.294
446 HZ3 LYS 57 3HZ LYS 57 -4.226 3.425 12.671
447 H HIS 58 H HIS 58 -2.851 5.802 6.173
448 HA HIS 58 HA HIS 58 -0.146 6.297 5.442
449 HB2 HIS 58 1HB HIS 58 -2.416 7.494 4.780
450 HB3 HIS 58 2HB HIS 58 -2.062 8.475 6.188
451 HD2 HIS 58 2HD HIS 58 -0.751 7.926 2.549
452 HE1 HIS 58 1HE HIS 58 1.496 11.102 4.274
453 HE2 HIS 58 2HE HIS 58 0.991 9.739 2.133
454 H HIS 59 H HIS 59 1.544 6.561 6.805
455 HA HIS 59 HA HIS 59 1.176 6.530 9.573
456 HB2 HIS 59 1HB HIS 59 3.358 6.488 7.678
457 HB3 HIS 59 2HB HIS 59 3.744 7.566 9.005
458 HD1 HIS 59 1HD HIS 59 5.581 5.783 9.732
459 HD2 HIS 59 2HD HIS 59 1.603 4.480 10.010
460 HE1 HIS 59 1HE HIS 59 5.617 3.676 11.171
461 H THR 60 H THR 60 2.064 9.190 7.274
462 HA THR 60 HA THR 60 2.193 11.173 9.278
463 HB THR 60 HB THR 60 1.858 11.180 6.239
464 HG1 THR 60 1HG THR 60 3.888 10.455 7.246
465 HG21 THR 60 1HG2 THR 60 1.089 13.349 7.650
466 HG22 THR 60 2HG2 THR 60 2.849 13.568 7.800
467 HG23 THR 60 3HG2 THR 60 2.093 13.513 6.189
468 H SER 61 H SER 61 -0.356 10.662 6.740
469 HA SER 61 HA SER 61 -2.106 12.445 7.868
470 HB2 SER 61 1HB SER 61 -2.129 10.430 5.770
471 HB3 SER 61 2HB SER 61 -3.651 10.387 6.638
472 HG SER 61 HG SER 61 -3.880 11.923 4.998
473 H GLY 62 H GLY 62 -2.103 8.808 8.107
474 HA2 GLY 62 1HA GLY 62 -2.428 7.637 10.099
475 HA3 GLY 62 2HA GLY 62 -3.189 9.042 10.820
476 H GLN 63 H GLN 63 -4.174 8.419 7.536
477 HA GLN 63 HA GLN 63 -6.680 7.383 8.589
478 HB2 GLN 63 1HB GLN 63 -6.193 8.642 5.858
479 HB3 GLN 63 2HB GLN 63 -7.743 8.304 6.602
480 HG2 GLN 63 1HG GLN 63 -7.575 10.086 8.113
481 HG3 GLN 63 2HG GLN 63 -5.823 10.056 8.127
482 HE21 GLN 63 1HE2 GLN 63 -4.953 11.765 7.266
483 HE22 GLN 63 2HE2 GLN 63 -5.522 12.670 5.903
484 H GLU 64 H GLU 64 -7.872 6.139 6.509
485 HA GLU 64 HA GLU 64 -5.882 4.251 5.531
486 HB2 GLU 64 1HB GLU 64 -8.620 3.527 6.666
487 HB3 GLU 64 2HB GLU 64 -7.490 2.396 5.950
488 HG2 GLU 64 1HG GLU 64 -5.991 2.525 7.750
489 HG3 GLU 64 2HG GLU 64 -6.490 4.145 8.194
490 H GLY 65 H GLY 65 -5.941 4.096 3.331
491 HA2 GLY 65 1HA GLY 65 -8.530 4.412 1.978
492 HA3 GLY 65 2HA GLY 65 -7.206 5.469 1.532
493 H LEU 66 H LEU 66 -8.024 4.064 -0.547
494 HA LEU 66 HA LEU 66 -6.593 1.539 -0.640
495 HB2 LEU 66 1HB LEU 66 -8.414 2.902 -2.628
496 HB3 LEU 66 2HB LEU 66 -7.677 1.328 -2.852
497 HG LEU 66 HG LEU 66 -9.580 2.004 -0.593
498 HD11 LEU 66 1HD1 LEU 66 -10.967 0.290 -2.171
499 HD12 LEU 66 2HD1 LEU 66 -11.120 2.063 -2.232
500 HD13 LEU 66 3HD1 LEU 66 -10.073 1.219 -3.399
501 HD21 LEU 66 1HD2 LEU 66 -7.958 -0.355 -1.275
502 HD22 LEU 66 2HD2 LEU 66 -8.683 0.142 0.273
503 HD23 LEU 66 3HD2 LEU 66 -9.671 -0.704 -0.941
504 H LEU 67 H LEU 67 -4.740 1.162 -1.840
505 HA LEU 67 HA LEU 67 -3.616 3.547 -3.139
506 HB2 LEU 67 1HB LEU 67 -2.629 2.040 -0.951
507 HB3 LEU 67 2HB LEU 67 -1.597 1.684 -2.322
508 HG LEU 67 HG LEU 67 -2.253 4.492 -1.395
509 HD11 LEU 67 1HD1 LEU 67 0.441 3.946 -0.852
510 HD12 LEU 67 2HD1 LEU 67 -0.881 4.171 0.320
511 HD13 LEU 67 3HD1 LEU 67 -0.461 2.536 -0.245
512 HD21 LEU 67 1HD2 LEU 67 -0.787 3.374 -3.674
513 HD22 LEU 67 2HD2 LEU 67 -1.449 5.005 -3.415
514 HD23 LEU 67 3HD2 LEU 67 0.141 4.573 -2.742
515 H ALA 68 H ALA 68 -2.198 3.105 -5.004
516 HA ALA 68 HA ALA 68 -3.355 1.047 -6.625
517 HB1 ALA 68 1HB ALA 68 -1.598 3.419 -6.940
518 HB2 ALA 68 2HB ALA 68 -1.291 2.091 -8.084
519 HB3 ALA 68 3HB ALA 68 -2.911 2.820 -7.982
520 H ALA 69 H ALA 69 -2.671 -1.029 -6.735
521 HA ALA 69 HA ALA 69 -0.488 -1.939 -5.254
522 HB1 ALA 69 1HB ALA 69 -0.956 -4.074 -6.344
523 HB2 ALA 69 2HB ALA 69 -2.489 -3.270 -5.932
524 HB3 ALA 69 3HB ALA 69 -1.899 -3.253 -7.611
525 H GLY 70 H GLY 70 -0.694 -0.356 -8.342
526 HA2 GLY 70 1HA GLY 70 1.909 -1.411 -9.199
527 HA3 GLY 70 2HA GLY 70 0.772 -0.490 -10.164
528 H ALA 71 H ALA 71 0.672 1.059 -7.232
529 HA ALA 71 HA ALA 71 2.844 2.875 -8.026
530 HB1 ALA 71 1HB ALA 71 1.450 4.641 -7.654
531 HB2 ALA 71 2HB ALA 71 0.178 3.430 -7.942
532 HB3 ALA 71 3HB ALA 71 0.646 3.851 -6.277
533 H LEU 72 H LEU 72 2.795 0.354 -6.256
534 HA LEU 72 HA LEU 72 3.744 1.691 -3.816
535 HB2 LEU 72 1HB LEU 72 2.227 -0.877 -4.199
536 HB3 LEU 72 2HB LEU 72 3.211 -0.605 -2.775
537 HG LEU 72 HG LEU 72 0.973 1.244 -3.636
538 HD11 LEU 72 1HD1 LEU 72 -0.355 0.179 -1.824
539 HD12 LEU 72 2HD1 LEU 72 -0.013 -0.905 -3.194
540 HD13 LEU 72 3HD1 LEU 72 0.908 -1.067 -1.679
541 HD21 LEU 72 1HD2 LEU 72 2.202 2.544 -2.222
542 HD22 LEU 72 2HD2 LEU 72 1.189 1.693 -1.030
543 HD23 LEU 72 3HD2 LEU 72 2.859 1.153 -1.325
544 H ARG 73 H ARG 73 5.666 0.809 -2.828
545 HA ARG 73 HA ARG 73 7.069 -1.115 -4.452
546 HB2 ARG 73 1HB ARG 73 9.122 0.274 -4.532
547 HB3 ARG 73 2HB ARG 73 7.795 1.111 -5.312
548 HG2 ARG 73 1HG ARG 73 8.029 2.855 -3.885
549 HG3 ARG 73 2HG ARG 73 7.706 1.803 -2.521
550 HD2 ARG 73 1HD ARG 73 9.937 1.596 -1.975
551 HD3 ARG 73 2HD ARG 73 10.450 1.524 -3.649
552 HE ARG 73 HE ARG 73 10.145 3.949 -2.010
553 HH11 ARG 73 2HH2 ARG 73 10.445 2.651 -5.267
554 HH12 ARG 73 1HH2 ARG 73 11.006 4.142 -5.947
555 HH21 ARG 73 2HH1 ARG 73 10.885 5.916 -2.907
556 HH22 ARG 73 1HH1 ARG 73 11.257 6.012 -4.596
557 H GLU 74 H GLU 74 9.272 -1.701 -3.251
558 HA GLU 74 HA GLU 74 8.526 -2.088 -0.500
559 HB2 GLU 74 1HB GLU 74 9.559 -3.828 -2.238
560 HB3 GLU 74 2HB GLU 74 11.084 -3.151 -1.701
561 HG2 GLU 74 1HG GLU 74 10.065 -3.536 0.732
562 HG3 GLU 74 2HG GLU 74 9.018 -4.672 -0.095
563 H ARG 75 H ARG 75 9.150 -0.638 1.036
564 HA ARG 75 HA ARG 75 10.793 1.457 0.570
565 HB2 ARG 75 1HB ARG 75 9.232 1.148 2.541
566 HB3 ARG 75 2HB ARG 75 10.390 0.043 3.255
567 HG2 ARG 75 1HG ARG 75 12.118 1.982 3.036
568 HG3 ARG 75 2HG ARG 75 10.741 3.020 2.722
569 HD2 ARG 75 1HD ARG 75 9.748 2.492 4.892
570 HD3 ARG 75 2HD ARG 75 10.926 1.229 5.188
571 HE ARG 75 HE ARG 75 12.178 3.825 4.713
572 HH11 ARG 75 2HH2 ARG 75 10.666 1.788 7.152
573 HH12 ARG 75 1HH2 ARG 75 11.463 2.565 8.479
574 HH21 ARG 75 2HH1 ARG 75 13.230 4.850 6.463
575 HH22 ARG 75 1HH1 ARG 75 12.931 4.318 8.085
576 H SER 76 H SER 76 12.952 1.481 0.026
577 HA SER 76 HA SER 76 14.570 -0.726 0.960
578 HB2 SER 76 1HB SER 76 16.113 -0.155 -0.782
579 HB3 SER 76 2HB SER 76 14.515 -0.017 -1.487
580 HG SER 76 HG SER 76 14.610 2.260 -1.296
581 H GLY 77 H GLY 77 16.447 -0.428 2.259
582 HA2 GLY 77 1HA GLY 77 17.556 2.099 2.859
583 HA3 GLY 77 2HA GLY 77 16.415 1.653 4.112
584 HA PRO 78 HA PRO 78 20.350 -0.416 5.078
585 HB2 PRO 78 1HB PRO 78 20.735 0.638 7.569
586 HB3 PRO 78 2HB PRO 78 21.459 1.311 6.122
587 HG2 PRO 78 1HG PRO 78 19.173 2.329 7.696
588 HG3 PRO 78 2HG PRO 78 20.167 3.178 6.530
589 HD2 PRO 78 1HD PRO 78 17.514 2.172 6.113
590 HD3 PRO 78 2HD PRO 78 18.552 2.917 4.914
591 H SER 79 H SER 79 20.913 -2.079 6.676
592 HA SER 79 HA SER 79 18.851 -3.767 7.033
593 HB2 SER 79 1HB SER 79 21.524 -3.841 7.561
594 HB3 SER 79 2HB SER 79 20.915 -3.764 9.203
595 HG SER 79 HG SER 79 19.441 -5.573 7.735
596 H SER 80 H SER 80 16.911 -3.319 8.030
597 HA SER 80 HA SER 80 17.110 -2.092 10.669
598 HB2 SER 80 1HB SER 80 16.105 -0.644 8.773
599 HB3 SER 80 2HB SER 80 14.744 -1.747 8.788
600 HG SER 80 HG SER 80 14.468 0.179 10.159
601 H GLY 81 H GLY 81 16.989 -4.032 11.865
602 HA2 GLY 81 1HA GLY 81 14.380 -5.264 11.986
603 HA3 GLY 81 2HA GLY 81 15.635 -6.316 11.362
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -14.171 -38.936 3.715
2 HA2 GLY 1 1HA GLY 1 -13.337 -39.591 6.311
3 HA3 GLY 1 2HA GLY 1 -12.524 -40.665 5.190
4 H SER 2 H SER 2 -13.342 -37.147 5.601
5 HA SER 2 HA SER 2 -12.230 -35.334 5.174
6 HB2 SER 2 1HB SER 2 -10.024 -37.237 5.914
7 HB3 SER 2 2HB SER 2 -9.554 -35.691 5.237
8 HG SER 2 HG SER 2 -10.004 -36.044 7.730
9 H SER 3 H SER 3 -10.462 -34.278 3.613
10 HA SER 3 HA SER 3 -10.870 -35.595 1.066
11 HB2 SER 3 1HB SER 3 -10.381 -32.758 1.952
12 HB3 SER 3 2HB SER 3 -9.868 -33.208 0.338
13 HG SER 3 HG SER 3 -11.911 -32.826 -0.189
14 H GLY 4 H GLY 4 -8.274 -33.726 2.816
15 HA2 GLY 4 1HA GLY 4 -6.103 -34.515 3.151
16 HA3 GLY 4 2HA GLY 4 -6.299 -35.662 1.841
17 H SER 5 H SER 5 -4.063 -34.620 1.345
18 HA SER 5 HA SER 5 -2.791 -33.211 0.257
19 HB2 SER 5 1HB SER 5 -4.921 -34.103 -1.463
20 HB3 SER 5 2HB SER 5 -4.523 -32.460 -1.923
21 HG SER 5 HG SER 5 -2.963 -34.817 -2.094
22 H SER 6 H SER 6 -2.613 -31.402 1.666
23 HA SER 6 HA SER 6 -4.656 -29.424 1.631
24 HB2 SER 6 1HB SER 6 -2.406 -30.128 3.292
25 HB3 SER 6 2HB SER 6 -2.233 -28.444 2.839
26 HG SER 6 HG SER 6 -3.524 -28.842 4.815
27 H GLY 7 H GLY 7 -1.131 -29.534 0.715
28 HA2 GLY 7 1HA GLY 7 -0.215 -28.653 -1.214
29 HA3 GLY 7 2HA GLY 7 -1.682 -27.746 -1.523
30 H ARG 8 H ARG 8 0.927 -26.590 -1.696
31 HA ARG 8 HA ARG 8 0.527 -24.463 0.146
32 HB2 ARG 8 1HB ARG 8 2.176 -26.420 1.105
33 HB3 ARG 8 2HB ARG 8 3.352 -25.495 0.192
34 HG2 ARG 8 1HG ARG 8 3.439 -24.419 2.274
35 HG3 ARG 8 2HG ARG 8 2.303 -23.402 1.410
36 HD2 ARG 8 1HD ARG 8 0.586 -25.289 2.456
37 HD3 ARG 8 2HD ARG 8 1.822 -25.263 3.698
38 HE ARG 8 HE ARG 8 0.959 -22.589 2.846
39 HH11 ARG 8 2HH2 ARG 8 0.353 -25.262 5.053
40 HH12 ARG 8 1HH2 ARG 8 -0.476 -24.281 6.216
41 HH21 ARG 8 2HH1 ARG 8 -0.135 -21.295 4.379
42 HH22 ARG 8 1HH1 ARG 8 -0.755 -22.010 5.830
43 H MET 9 H MET 9 0.808 -22.643 -1.106
44 HA MET 9 HA MET 9 2.566 -22.924 -3.408
45 HB2 MET 9 1HB MET 9 0.001 -21.514 -2.816
46 HB3 MET 9 2HB MET 9 1.142 -20.531 -3.711
47 HG2 MET 9 1HG MET 9 0.574 -21.635 -5.611
48 HG3 MET 9 2HG MET 9 1.220 -23.115 -4.930
49 HE1 MET 9 1HE MET 9 -2.157 -23.679 -6.667
50 HE2 MET 9 2HE MET 9 -0.382 -23.624 -6.791
51 HE3 MET 9 3HE MET 9 -1.173 -24.967 -5.932
52 HA PRO 10 HA PRO 10 5.212 -19.832 -1.898
53 HB2 PRO 10 1HB PRO 10 6.000 -18.482 -4.139
54 HB3 PRO 10 2HB PRO 10 6.659 -20.038 -3.677
55 HG2 PRO 10 1HG PRO 10 4.718 -19.408 -5.816
56 HG3 PRO 10 2HG PRO 10 5.697 -20.847 -5.612
57 HD2 PRO 10 1HD PRO 10 2.898 -20.581 -5.044
58 HD3 PRO 10 2HD PRO 10 3.902 -21.982 -4.732
59 H THR 11 H THR 11 5.854 -17.345 -2.044
60 HA THR 11 HA THR 11 3.249 -15.973 -1.907
61 HB THR 11 HB THR 11 4.386 -16.304 0.300
62 HG1 THR 11 1HG THR 11 3.373 -14.315 0.336
63 HG21 THR 11 1HG2 THR 11 6.742 -15.575 -1.225
64 HG22 THR 11 2HG2 THR 11 6.459 -14.327 0.011
65 HG23 THR 11 3HG2 THR 11 6.644 -16.030 0.493
66 H ARG 12 H ARG 12 3.170 -13.734 -2.560
67 HA ARG 12 HA ARG 12 5.438 -12.857 -4.090
68 HB2 ARG 12 1HB ARG 12 3.250 -14.127 -5.370
69 HB3 ARG 12 2HB ARG 12 2.970 -12.417 -5.630
70 HG2 ARG 12 1HG ARG 12 4.364 -12.841 -7.438
71 HG3 ARG 12 2HG ARG 12 5.576 -12.408 -6.248
72 HD2 ARG 12 1HD ARG 12 5.370 -15.077 -5.704
73 HD3 ARG 12 2HD ARG 12 4.919 -15.102 -7.397
74 HE ARG 12 HE ARG 12 7.248 -13.460 -7.102
75 HH11 ARG 12 2HH2 ARG 12 6.282 -16.838 -6.918
76 HH12 ARG 12 1HH2 ARG 12 7.845 -17.442 -7.355
77 HH21 ARG 12 2HH1 ARG 12 9.311 -14.255 -7.679
78 HH22 ARG 12 1HH1 ARG 12 9.580 -15.963 -7.790
79 H ARG 13 H ARG 13 1.902 -12.178 -3.505
80 HA ARG 13 HA ARG 13 2.210 -9.432 -3.619
81 HB2 ARG 13 1HB ARG 13 0.090 -11.066 -2.132
82 HB3 ARG 13 2HB ARG 13 -0.062 -9.373 -2.559
83 HG2 ARG 13 1HG ARG 13 0.567 -10.439 -5.015
84 HG3 ARG 13 2HG ARG 13 -0.277 -11.796 -4.296
85 HD2 ARG 13 1HD ARG 13 -1.794 -9.430 -3.670
86 HD3 ARG 13 2HD ARG 13 -1.393 -9.350 -5.374
87 HE ARG 13 HE ARG 13 -2.769 -11.212 -5.777
88 HH11 ARG 13 2HH2 ARG 13 -2.187 -10.902 -2.320
89 HH12 ARG 13 1HH2 ARG 13 -3.353 -12.107 -1.887
90 HH21 ARG 13 2HH1 ARG 13 -4.307 -12.802 -5.206
91 HH22 ARG 13 1HH1 ARG 13 -4.567 -13.195 -3.539
92 H TRP 14 H TRP 14 1.916 -7.852 -1.769
93 HA TRP 14 HA TRP 14 3.663 -8.569 0.382
94 HB2 TRP 14 1HB TRP 14 2.114 -6.048 -0.234
95 HB3 TRP 14 2HB TRP 14 3.220 -6.225 1.114
96 HD1 TRP 14 HD TRP 14 5.772 -7.460 -0.133
97 HE1 TRP 14 1HE TRP 14 7.251 -6.303 -1.987
98 HE3 TRP 14 3HE TRP 14 2.124 -4.365 -1.855
99 HZ2 TRP 14 2HZ TRP 14 6.741 -4.269 -3.922
100 HZ3 TRP 14 3HZ TRP 14 2.698 -2.824 -3.730
101 HH2 TRP 14 HH TRP 14 4.914 -2.744 -4.757
102 H ALA 15 H ALA 15 3.074 -9.211 2.440
103 HA ALA 15 HA ALA 15 0.314 -9.865 2.854
104 HB1 ALA 15 1HB ALA 15 1.916 -10.186 5.213
105 HB2 ALA 15 2HB ALA 15 1.294 -11.441 4.116
106 HB3 ALA 15 3HB ALA 15 2.881 -10.698 3.808
107 HA PRO 16 HA PRO 16 -0.782 -6.512 5.363
108 HB2 PRO 16 1HB PRO 16 -2.185 -7.592 7.445
109 HB3 PRO 16 2HB PRO 16 -2.864 -7.370 5.845
110 HG2 PRO 16 1HG PRO 16 -1.952 -9.866 7.141
111 HG3 PRO 16 2HG PRO 16 -3.002 -9.671 5.752
112 HD2 PRO 16 1HD PRO 16 -0.237 -10.435 5.720
113 HD3 PRO 16 2HD PRO 16 -1.256 -10.127 4.328
114 H GLY 17 H GLY 17 0.391 -5.079 6.459
115 HA2 GLY 17 1HA GLY 17 1.200 -4.549 8.681
116 HA3 GLY 17 2HA GLY 17 1.814 -6.185 8.805
117 H THR 18 H THR 18 2.459 -5.799 5.689
118 HA THR 18 HA THR 18 5.188 -5.065 6.162
119 HB THR 18 HB THR 18 3.531 -5.885 3.727
120 HG1 THR 18 1HG THR 18 4.745 -7.829 4.180
121 HG21 THR 18 1HG2 THR 18 6.562 -5.498 3.965
122 HG22 THR 18 2HG2 THR 18 5.709 -6.201 2.570
123 HG23 THR 18 3HG2 THR 18 5.483 -4.483 2.978
124 H GLN 19 H GLN 19 6.369 -3.376 5.042
125 HA GLN 19 HA GLN 19 4.737 -0.999 4.967
126 HB2 GLN 19 1HB GLN 19 7.734 -1.494 5.072
127 HB3 GLN 19 2HB GLN 19 7.081 0.104 4.774
128 HG2 GLN 19 1HG GLN 19 5.812 0.015 6.906
129 HG3 GLN 19 2HG GLN 19 6.374 -1.619 7.196
130 HE21 GLN 19 1HE2 GLN 19 6.775 1.367 8.204
131 HE22 GLN 19 2HE2 GLN 19 8.457 1.417 8.616
132 H CYS 20 H CYS 20 4.960 0.590 3.178
133 HA CYS 20 HA CYS 20 6.110 -0.435 0.740
134 HB2 CYS 20 1HB CYS 20 3.163 0.280 0.779
135 HB3 CYS 20 2HB CYS 20 4.099 -0.299 -0.585
136 HG CYS 20 HG CYS 20 2.478 -2.179 0.374
137 H ILE 21 H ILE 21 6.428 1.320 -0.822
138 HA ILE 21 HA ILE 21 5.776 3.975 0.234
139 HB ILE 21 HB ILE 21 8.451 3.155 -0.904
140 HG12 ILE 21 1HG1 ILE 21 7.921 3.981 1.949
141 HG13 ILE 21 2HG1 ILE 21 7.798 2.306 1.450
142 HG21 ILE 21 1HG2 ILE 21 8.956 5.311 -1.100
143 HG22 ILE 21 2HG2 ILE 21 7.227 5.661 -0.859
144 HG23 ILE 21 3HG2 ILE 21 8.340 5.676 0.530
145 HD11 ILE 21 1HD1 ILE 21 10.236 4.104 1.449
146 HD12 ILE 21 2HD1 ILE 21 10.046 2.475 2.141
147 HD13 ILE 21 3HD1 ILE 21 10.170 2.684 0.378
148 H THR 22 H THR 22 5.347 5.569 -1.356
149 HA THR 22 HA THR 22 4.487 4.437 -3.869
150 HB THR 22 HB THR 22 3.464 6.685 -4.133
151 HG1 THR 22 1HG THR 22 4.356 8.332 -2.914
152 HG21 THR 22 1HG2 THR 22 3.207 5.195 -1.543
153 HG22 THR 22 2HG2 THR 22 2.618 6.874 -1.531
154 HG23 THR 22 3HG2 THR 22 1.939 5.701 -2.685
155 H LYS 23 H LYS 23 5.108 5.191 -5.968
156 HA LYS 23 HA LYS 23 7.935 5.888 -5.995
157 HB2 LYS 23 1HB LYS 23 6.085 4.842 -8.159
158 HB3 LYS 23 2HB LYS 23 7.782 5.212 -8.391
159 HG2 LYS 23 1HG LYS 23 8.314 3.589 -6.490
160 HG3 LYS 23 2HG LYS 23 6.622 3.134 -6.479
161 HD2 LYS 23 1HD LYS 23 8.133 3.055 -9.099
162 HD3 LYS 23 2HD LYS 23 8.391 1.769 -7.938
163 HE2 LYS 23 1HE LYS 23 6.240 0.924 -8.174
164 HE3 LYS 23 2HE LYS 23 5.531 2.500 -8.462
165 HZ1 LYS 23 1HZ LYS 23 6.963 0.799 -10.355
166 HZ2 LYS 23 2HZ LYS 23 5.474 1.454 -10.496
167 HZ3 LYS 23 3HZ LYS 23 6.798 2.399 -10.637
168 H CYS 24 H CYS 24 4.776 7.281 -6.397
169 HA CYS 24 HA CYS 24 6.074 9.699 -7.392
170 HB2 CYS 24 1HB CYS 24 3.570 8.422 -8.514
171 HB3 CYS 24 2HB CYS 24 3.921 10.126 -8.721
172 HG CYS 24 HG CYS 24 5.541 7.439 -9.712
173 H GLU 25 H GLU 25 4.156 11.550 -7.164
174 HA GLU 25 HA GLU 25 3.237 11.193 -4.427
175 HB2 GLU 25 1HB GLU 25 3.176 13.685 -4.342
176 HB3 GLU 25 2HB GLU 25 4.773 13.071 -4.720
177 HG2 GLU 25 1HG GLU 25 3.449 13.366 -7.229
178 HG3 GLU 25 2HG GLU 25 3.052 14.807 -6.313
179 H HIS 26 H HIS 26 1.057 11.734 -3.840
180 HA HIS 26 HA HIS 26 -0.709 12.209 -6.123
181 HB2 HIS 26 1HB HIS 26 -0.496 9.763 -4.971
182 HB3 HIS 26 2HB HIS 26 -1.730 10.468 -3.947
183 HD1 HIS 26 1HD HIS 26 -1.352 11.027 -7.711
184 HD2 HIS 26 2HD HIS 26 -3.972 9.237 -4.967
185 HE1 HIS 26 1HE HIS 26 -3.401 10.300 -9.047
186 H THR 27 H THR 27 -1.453 14.251 -5.783
187 HA THR 27 HA THR 27 -1.969 15.073 -3.021
188 HB THR 27 HB THR 27 -1.928 17.340 -3.996
189 HG1 THR 27 1HG THR 27 -1.406 16.012 -6.532
190 HG21 THR 27 1HG2 THR 27 0.258 15.403 -4.633
191 HG22 THR 27 2HG2 THR 27 0.253 16.881 -5.625
192 HG23 THR 27 3HG2 THR 27 0.356 17.000 -3.852
193 H ARG 28 H ARG 28 -3.576 14.340 -6.107
194 HA ARG 28 HA ARG 28 -6.074 14.782 -4.681
195 HB2 ARG 28 1HB ARG 28 -5.210 15.672 -7.417
196 HB3 ARG 28 2HB ARG 28 -6.852 15.072 -7.294
197 HG2 ARG 28 1HG ARG 28 -5.892 17.052 -5.223
198 HG3 ARG 28 2HG ARG 28 -6.275 17.647 -6.826
199 HD2 ARG 28 1HD ARG 28 -8.415 15.891 -6.124
200 HD3 ARG 28 2HD ARG 28 -8.095 16.845 -4.689
201 HE ARG 28 HE ARG 28 -8.088 18.763 -6.656
202 HH11 ARG 28 2HH2 ARG 28 -10.358 16.197 -5.851
203 HH12 ARG 28 1HH2 ARG 28 -11.739 17.059 -6.442
204 HH21 ARG 28 2HH1 ARG 28 -9.910 19.901 -7.436
205 HH22 ARG 28 1HH1 ARG 28 -11.483 19.180 -7.349
206 HA PRO 29 HA PRO 29 -6.019 10.485 -5.981
207 HB2 PRO 29 1HB PRO 29 -7.347 9.479 -3.815
208 HB3 PRO 29 2HB PRO 29 -5.602 9.616 -3.890
209 HG2 PRO 29 1HG PRO 29 -7.529 11.287 -2.396
210 HG3 PRO 29 2HG PRO 29 -5.799 11.130 -2.161
211 HD2 PRO 29 1HD PRO 29 -7.168 13.309 -3.428
212 HD3 PRO 29 2HD PRO 29 -5.434 13.096 -3.296
213 H LYS 30 H LYS 30 -7.810 8.756 -6.220
214 HA LYS 30 HA LYS 30 -9.765 9.933 -7.801
215 HB2 LYS 30 1HB LYS 30 -8.951 7.294 -6.993
216 HB3 LYS 30 2HB LYS 30 -10.697 7.407 -6.897
217 HG2 LYS 30 1HG LYS 30 -10.397 8.640 -9.272
218 HG3 LYS 30 2HG LYS 30 -8.901 7.728 -9.299
219 HD2 LYS 30 1HD LYS 30 -10.151 5.612 -8.943
220 HD3 LYS 30 2HD LYS 30 -11.657 6.499 -8.818
221 HE2 LYS 30 1HE LYS 30 -9.930 6.804 -11.296
222 HE3 LYS 30 2HE LYS 30 -10.974 5.406 -11.129
223 HZ1 LYS 30 1HZ LYS 30 -12.833 6.879 -10.847
224 HZ2 LYS 30 2HZ LYS 30 -11.874 8.198 -10.935
225 HZ3 LYS 30 3HZ LYS 30 -12.063 7.237 -12.241
226 HA PRO 31 HA PRO 31 -12.995 10.896 -5.092
227 HB2 PRO 31 1HB PRO 31 -15.270 9.856 -6.194
228 HB3 PRO 31 2HB PRO 31 -14.505 11.321 -6.777
229 HG2 PRO 31 1HG PRO 31 -14.498 8.620 -7.980
230 HG3 PRO 31 2HG PRO 31 -14.120 10.158 -8.731
231 HD2 PRO 31 1HD PRO 31 -12.248 8.159 -7.878
232 HD3 PRO 31 2HD PRO 31 -11.868 9.743 -8.523
233 H GLY 32 H GLY 32 -12.227 9.892 -3.204
234 HA2 GLY 32 1HA GLY 32 -13.384 8.740 -1.413
235 HA3 GLY 32 2HA GLY 32 -13.843 7.498 -2.561
236 H GLU 33 H GLU 33 -10.637 8.901 -2.927
237 HA GLU 33 HA GLU 33 -9.558 6.449 -1.773
238 HB2 GLU 33 1HB GLU 33 -8.793 8.077 -4.195
239 HB3 GLU 33 2HB GLU 33 -7.538 7.185 -3.359
240 HG2 GLU 33 1HG GLU 33 -9.048 5.112 -3.523
241 HG3 GLU 33 2HG GLU 33 -10.094 6.046 -4.575
242 H LEU 34 H LEU 34 -7.041 6.846 -1.197
243 HA LEU 34 HA LEU 34 -7.080 9.165 0.575
244 HB2 LEU 34 1HB LEU 34 -6.661 7.325 1.860
245 HB3 LEU 34 2HB LEU 34 -5.781 6.487 0.597
246 HG LEU 34 HG LEU 34 -3.995 8.390 0.979
247 HD11 LEU 34 1HD1 LEU 34 -5.106 8.280 3.775
248 HD12 LEU 34 2HD1 LEU 34 -3.916 9.402 3.073
249 HD13 LEU 34 3HD1 LEU 34 -5.632 9.528 2.619
250 HD21 LEU 34 1HD2 LEU 34 -4.428 5.750 2.093
251 HD22 LEU 34 2HD2 LEU 34 -2.929 6.516 1.514
252 HD23 LEU 34 3HD2 LEU 34 -3.465 6.766 3.193
253 H ALA 35 H ALA 35 -5.131 10.516 0.768
254 HA ALA 35 HA ALA 35 -3.750 10.669 -1.821
255 HB1 ALA 35 1HB ALA 35 -5.331 12.555 -0.633
256 HB2 ALA 35 2HB ALA 35 -3.735 13.006 0.011
257 HB3 ALA 35 3HB ALA 35 -3.996 12.932 -1.748
258 H PHE 36 H PHE 36 -1.455 11.291 -1.767
259 HA PHE 36 HA PHE 36 -0.085 11.294 0.721
260 HB2 PHE 36 1HB PHE 36 1.212 9.147 0.061
261 HB3 PHE 36 2HB PHE 36 -0.437 8.878 0.589
262 HD1 PHE 36 1HD PHE 36 1.741 9.086 -2.385
263 HD2 PHE 36 2HD PHE 36 -2.058 7.947 -0.877
264 HE1 PHE 36 1HE PHE 36 1.249 7.885 -4.533
265 HE2 PHE 36 2HE PHE 36 -2.551 6.746 -3.025
266 HZ PHE 36 HZ PHE 36 -0.891 6.729 -4.827
267 H ARG 37 H ARG 37 2.356 11.391 0.356
268 HA ARG 37 HA ARG 37 2.758 12.850 -2.102
269 HB2 ARG 37 1HB ARG 37 4.127 12.753 0.592
270 HB3 ARG 37 2HB ARG 37 5.076 13.271 -0.788
271 HG2 ARG 37 1HG ARG 37 3.923 15.160 0.461
272 HG3 ARG 37 2HG ARG 37 3.578 15.111 -1.256
273 HD2 ARG 37 1HD ARG 37 1.383 14.229 -0.920
274 HD3 ARG 37 2HD ARG 37 1.747 13.685 0.705
275 HE ARG 37 HE ARG 37 2.115 16.481 0.732
276 HH11 ARG 37 2HH2 ARG 37 -0.525 14.233 0.133
277 HH12 ARG 37 1HH2 ARG 37 -1.752 15.331 0.674
278 HH21 ARG 37 2HH1 ARG 37 0.498 17.929 1.445
279 HH22 ARG 37 1HH1 ARG 37 -1.166 17.447 1.425
280 H LYS 38 H LYS 38 5.309 12.620 -2.832
281 HA LYS 38 HA LYS 38 5.540 9.861 -3.592
282 HB2 LYS 38 1HB LYS 38 5.926 11.537 -5.268
283 HB3 LYS 38 2HB LYS 38 7.115 12.355 -4.275
284 HG2 LYS 38 1HG LYS 38 8.278 9.917 -4.309
285 HG3 LYS 38 2HG LYS 38 7.365 9.767 -5.797
286 HD2 LYS 38 1HD LYS 38 8.564 12.377 -5.820
287 HD3 LYS 38 2HD LYS 38 9.810 11.253 -5.314
288 HE2 LYS 38 1HE LYS 38 9.055 9.770 -7.319
289 HE3 LYS 38 2HE LYS 38 8.162 11.172 -7.874
290 HZ1 LYS 38 1HZ LYS 38 10.946 11.538 -7.148
291 HZ2 LYS 38 2HZ LYS 38 10.615 10.789 -8.562
292 HZ3 LYS 38 3HZ LYS 38 10.063 12.302 -8.290
293 H GLY 39 H GLY 39 6.376 8.394 -2.209
294 HA2 GLY 39 1HA GLY 39 8.239 7.468 -1.155
295 HA3 GLY 39 2HA GLY 39 8.901 9.068 -0.880
296 H ASP 40 H ASP 40 5.628 7.646 -0.181
297 HA ASP 40 HA ASP 40 5.994 8.607 2.538
298 HB2 ASP 40 1HB ASP 40 3.756 8.526 0.656
299 HB3 ASP 40 2HB ASP 40 3.317 7.712 2.145
300 H VAL 41 H VAL 41 5.741 7.110 4.298
301 HA VAL 41 HA VAL 41 5.831 4.315 3.504
302 HB VAL 41 HB VAL 41 6.380 5.763 6.100
303 HG11 VAL 41 1HG1 VAL 41 5.448 3.303 6.162
304 HG12 VAL 41 2HG1 VAL 41 7.099 2.882 5.648
305 HG13 VAL 41 3HG1 VAL 41 6.840 3.767 7.170
306 HG21 VAL 41 1HG2 VAL 41 8.310 6.203 5.022
307 HG22 VAL 41 2HG2 VAL 41 8.694 4.497 5.354
308 HG23 VAL 41 3HG2 VAL 41 8.014 4.966 3.777
309 H VAL 42 H VAL 42 4.299 2.774 4.104
310 HA VAL 42 HA VAL 42 2.068 3.700 5.735
311 HB VAL 42 HB VAL 42 0.518 2.641 4.036
312 HG11 VAL 42 1HG1 VAL 42 1.398 5.235 4.349
313 HG12 VAL 42 2HG1 VAL 42 1.604 4.965 2.601
314 HG13 VAL 42 3HG1 VAL 42 0.011 4.723 3.358
315 HG21 VAL 42 1HG2 VAL 42 1.990 3.205 1.686
316 HG22 VAL 42 2HG2 VAL 42 3.030 2.177 2.701
317 HG23 VAL 42 3HG2 VAL 42 1.397 1.626 2.256
318 H THR 43 H THR 43 0.478 1.598 5.901
319 HA THR 43 HA THR 43 2.200 -0.760 6.217
320 HB THR 43 HB THR 43 0.341 0.526 8.282
321 HG1 THR 43 1HG THR 43 2.555 1.331 8.099
322 HG21 THR 43 1HG2 THR 43 1.953 -2.076 8.440
323 HG22 THR 43 2HG2 THR 43 1.027 -1.336 9.768
324 HG23 THR 43 3HG2 THR 43 0.177 -1.992 8.349
325 H ILE 44 H ILE 44 1.405 -2.501 5.227
326 HA ILE 44 HA ILE 44 -1.046 -2.387 3.887
327 HB ILE 44 HB ILE 44 0.762 -4.703 4.578
328 HG12 ILE 44 1HG1 ILE 44 1.740 -2.849 3.206
329 HG13 ILE 44 2HG1 ILE 44 1.722 -4.416 2.421
330 HG21 ILE 44 1HG2 ILE 44 -0.527 -6.138 3.415
331 HG22 ILE 44 2HG2 ILE 44 -1.826 -5.004 3.855
332 HG23 ILE 44 3HG2 ILE 44 -1.057 -4.898 2.253
333 HD11 ILE 44 1HD1 ILE 44 0.317 -3.704 0.774
334 HD12 ILE 44 2HD1 ILE 44 -0.746 -2.863 1.928
335 HD13 ILE 44 3HD1 ILE 44 0.727 -2.063 1.329
336 H LEU 45 H LEU 45 -2.946 -2.133 4.963
337 HA LEU 45 HA LEU 45 -3.331 -3.257 7.547
338 HB2 LEU 45 1HB LEU 45 -5.258 -1.965 5.612
339 HB3 LEU 45 2HB LEU 45 -5.628 -2.388 7.271
340 HG LEU 45 HG LEU 45 -3.409 -0.473 6.520
341 HD11 LEU 45 1HD1 LEU 45 -6.070 0.004 6.024
342 HD12 LEU 45 2HD1 LEU 45 -5.846 0.706 7.645
343 HD13 LEU 45 3HD1 LEU 45 -4.821 1.243 6.292
344 HD21 LEU 45 1HD2 LEU 45 -4.883 -0.734 9.147
345 HD22 LEU 45 2HD2 LEU 45 -3.380 -1.613 8.777
346 HD23 LEU 45 3HD2 LEU 45 -3.387 0.167 8.801
347 H GLU 46 H GLU 46 -4.885 -3.883 4.318
348 HA GLU 46 HA GLU 46 -5.147 -6.643 5.205
349 HB2 GLU 46 1HB GLU 46 -7.296 -4.839 4.867
350 HB3 GLU 46 2HB GLU 46 -7.323 -5.829 3.421
351 HG2 GLU 46 1HG GLU 46 -8.678 -6.969 5.061
352 HG3 GLU 46 2HG GLU 46 -7.196 -7.891 4.909
353 H ALA 47 H ALA 47 -5.996 -7.960 3.038
354 HA ALA 47 HA ALA 47 -3.852 -7.518 1.159
355 HB1 ALA 47 1HB ALA 47 -3.998 -9.768 1.342
356 HB2 ALA 47 2HB ALA 47 -5.655 -9.697 1.988
357 HB3 ALA 47 3HB ALA 47 -5.382 -9.631 0.231
358 H CYS 48 H CYS 48 -4.165 -7.230 -1.142
359 HA CYS 48 HA CYS 48 -5.778 -5.236 -1.879
360 HB2 CYS 48 1HB CYS 48 -5.522 -5.993 -4.206
361 HB3 CYS 48 2HB CYS 48 -4.016 -6.100 -3.316
362 HG CYS 48 HG CYS 48 -4.668 -8.702 -2.532
363 H GLU 49 H GLU 49 -7.950 -4.956 -2.501
364 HA GLU 49 HA GLU 49 -9.561 -7.387 -2.419
365 HB2 GLU 49 1HB GLU 49 -9.818 -5.907 -0.377
366 HB3 GLU 49 2HB GLU 49 -10.418 -4.635 -1.422
367 HG2 GLU 49 1HG GLU 49 -12.435 -5.616 -0.798
368 HG3 GLU 49 2HG GLU 49 -12.105 -6.521 -2.262
369 H ASN 50 H ASN 50 -8.575 -6.743 -4.843
370 HA ASN 50 HA ASN 50 -10.895 -6.154 -6.283
371 HB2 ASN 50 1HB ASN 50 -9.684 -3.823 -5.503
372 HB3 ASN 50 2HB ASN 50 -8.769 -4.134 -6.965
373 HD21 ASN 50 1HD2 ASN 50 -12.016 -3.795 -5.629
374 HD22 ASN 50 2HD2 ASN 50 -12.808 -3.255 -7.072
375 H LYS 51 H LYS 51 -7.297 -5.580 -6.578
376 HA LYS 51 HA LYS 51 -6.501 -7.842 -7.748
377 HB2 LYS 51 1HB LYS 51 -8.217 -6.361 -9.625
378 HB3 LYS 51 2HB LYS 51 -6.647 -6.773 -10.286
379 HG2 LYS 51 1HG LYS 51 -8.012 -8.947 -8.743
380 HG3 LYS 51 2HG LYS 51 -8.780 -8.492 -10.251
381 HD2 LYS 51 1HD LYS 51 -6.688 -8.887 -11.495
382 HD3 LYS 51 2HD LYS 51 -5.817 -9.192 -10.005
383 HE2 LYS 51 1HE LYS 51 -7.562 -11.095 -9.591
384 HE3 LYS 51 2HE LYS 51 -7.991 -10.899 -11.279
385 HZ1 LYS 51 1HZ LYS 51 -5.731 -11.347 -11.875
386 HZ2 LYS 51 2HZ LYS 51 -5.268 -11.435 -10.311
387 HZ3 LYS 51 3HZ LYS 51 -6.277 -12.561 -10.929
388 H SER 52 H SER 52 -6.508 -4.317 -8.634
389 HA SER 52 HA SER 52 -3.624 -4.425 -8.205
390 HB2 SER 52 1HB SER 52 -3.895 -4.078 -10.548
391 HB3 SER 52 2HB SER 52 -5.245 -2.983 -10.325
392 HG SER 52 HG SER 52 -2.448 -2.493 -9.809
393 H TRP 53 H TRP 53 -5.147 -3.990 -5.992
394 HA TRP 53 HA TRP 53 -4.601 -1.205 -5.435
395 HB2 TRP 53 1HB TRP 53 -7.382 -2.364 -5.341
396 HB3 TRP 53 2HB TRP 53 -6.908 -0.984 -4.370
397 HD1 TRP 53 HD TRP 53 -7.710 -1.929 -7.993
398 HE1 TRP 53 1HE TRP 53 -7.923 0.205 -9.530
399 HE3 TRP 53 3HE TRP 53 -5.979 1.378 -4.540
400 HZ2 TRP 53 2HZ TRP 53 -7.357 2.974 -9.139
401 HZ3 TRP 53 3HZ TRP 53 -5.841 3.779 -5.198
402 HH2 TRP 53 HH TRP 53 -6.496 4.593 -7.408
403 H TYR 54 H TYR 54 -4.391 -0.859 -3.110
404 HA TYR 54 HA TYR 54 -4.602 -3.273 -1.477
405 HB2 TYR 54 1HB TYR 54 -2.194 -1.591 -2.269
406 HB3 TYR 54 2HB TYR 54 -2.235 -2.175 -0.618
407 HD1 TYR 54 2HD TYR 54 -2.657 -4.762 -0.325
408 HD2 TYR 54 1HD TYR 54 -1.279 -2.940 -3.942
409 HE1 TYR 54 2HE TYR 54 -1.713 -6.992 -1.097
410 HE2 TYR 54 1HE TYR 54 -0.339 -5.176 -4.702
411 HH TYR 54 HH TYR 54 0.510 -7.317 -3.370
412 H ARG 55 H ARG 55 -4.916 -2.866 0.760
413 HA ARG 55 HA ARG 55 -5.674 -0.113 1.247
414 HB2 ARG 55 1HB ARG 55 -7.323 -2.042 1.619
415 HB3 ARG 55 2HB ARG 55 -6.303 -2.584 2.936
416 HG2 ARG 55 1HG ARG 55 -6.689 -0.566 4.206
417 HG3 ARG 55 2HG ARG 55 -7.382 0.261 2.825
418 HD2 ARG 55 1HD ARG 55 -9.454 -0.554 3.288
419 HD3 ARG 55 2HD ARG 55 -8.861 -2.203 3.316
420 HE ARG 55 HE ARG 55 -8.107 -0.763 5.727
421 HH11 ARG 55 2HH2 ARG 55 -10.763 -2.472 4.177
422 HH12 ARG 55 1HH2 ARG 55 -11.533 -2.893 5.670
423 HH21 ARG 55 2HH1 ARG 55 -9.122 -1.317 7.698
424 HH22 ARG 55 1HH1 ARG 55 -10.593 -2.231 7.687
425 H VAL 56 H VAL 56 -4.113 1.107 2.266
426 HA VAL 56 HA VAL 56 -2.570 -0.230 4.378
427 HB VAL 56 HB VAL 56 -0.612 0.923 3.714
428 HG11 VAL 56 1HG1 VAL 56 -1.571 0.134 0.996
429 HG12 VAL 56 2HG1 VAL 56 -0.077 -0.305 1.859
430 HG13 VAL 56 3HG1 VAL 56 -1.615 -1.096 2.282
431 HG21 VAL 56 1HG2 VAL 56 -1.712 3.063 3.086
432 HG22 VAL 56 2HG2 VAL 56 -0.490 2.533 1.904
433 HG23 VAL 56 3HG2 VAL 56 -2.222 2.320 1.551
434 H LYS 57 H LYS 57 -1.429 1.680 5.744
435 HA LYS 57 HA LYS 57 -3.509 3.707 6.186
436 HB2 LYS 57 1HB LYS 57 -3.615 1.931 7.896
437 HB3 LYS 57 2HB LYS 57 -1.932 2.205 8.297
438 HG2 LYS 57 1HG LYS 57 -2.839 4.763 8.526
439 HG3 LYS 57 2HG LYS 57 -4.330 3.914 8.884
440 HD2 LYS 57 1HD LYS 57 -3.067 2.545 10.614
441 HD3 LYS 57 2HD LYS 57 -1.657 3.540 10.313
442 HE2 LYS 57 1HE LYS 57 -2.484 4.885 11.966
443 HE3 LYS 57 2HE LYS 57 -3.583 5.479 10.737
444 HZ1 LYS 57 1HZ LYS 57 -5.277 4.391 11.654
445 HZ2 LYS 57 2HZ LYS 57 -4.416 3.047 11.997
446 HZ3 LYS 57 3HZ LYS 57 -4.353 4.335 13.000
447 H HIS 58 H HIS 58 -2.789 5.756 5.965
448 HA HIS 58 HA HIS 58 -0.058 6.204 5.412
449 HB2 HIS 58 1HB HIS 58 -2.287 7.442 4.671
450 HB3 HIS 58 2HB HIS 58 -1.946 8.432 6.076
451 HD2 HIS 58 2HD HIS 58 -0.858 8.116 2.417
452 HE1 HIS 58 1HE HIS 58 1.949 10.720 4.274
453 HE2 HIS 58 2HE HIS 58 1.086 9.721 2.048
454 H HIS 59 H HIS 59 1.605 6.598 6.789
455 HA HIS 59 HA HIS 59 1.240 6.443 9.534
456 HB2 HIS 59 1HB HIS 59 3.331 5.809 8.717
457 HB3 HIS 59 2HB HIS 59 3.510 7.252 7.739
458 HD1 HIS 59 1HD HIS 59 3.757 6.068 11.336
459 HD2 HIS 59 2HD HIS 59 4.707 9.430 9.014
460 HE1 HIS 59 1HE HIS 59 5.195 7.573 12.812
461 H THR 60 H THR 60 2.679 9.337 7.896
462 HA THR 60 HA THR 60 2.184 11.118 9.904
463 HB THR 60 HB THR 60 2.209 11.515 6.865
464 HG1 THR 60 1HG THR 60 4.207 11.851 8.983
465 HG21 THR 60 1HG2 THR 60 1.782 13.713 7.415
466 HG22 THR 60 2HG2 THR 60 2.052 13.418 9.149
467 HG23 THR 60 3HG2 THR 60 3.438 13.701 8.068
468 H SER 61 H SER 61 0.078 10.783 6.962
469 HA SER 61 HA SER 61 -1.886 12.423 7.817
470 HB2 SER 61 1HB SER 61 -1.547 10.392 5.794
471 HB3 SER 61 2HB SER 61 -3.142 10.199 6.493
472 HG SER 61 HG SER 61 -2.963 11.737 4.640
473 H GLY 62 H GLY 62 -1.768 8.804 8.233
474 HA2 GLY 62 1HA GLY 62 -2.364 7.634 10.126
475 HA3 GLY 62 2HA GLY 62 -3.101 9.069 10.809
476 H GLN 63 H GLN 63 -3.955 8.608 7.488
477 HA GLN 63 HA GLN 63 -6.563 7.697 8.370
478 HB2 GLN 63 1HB GLN 63 -5.881 8.743 5.602
479 HB3 GLN 63 2HB GLN 63 -7.450 8.689 6.380
480 HG2 GLN 63 1HG GLN 63 -6.838 10.435 7.949
481 HG3 GLN 63 2HG GLN 63 -5.146 10.338 7.504
482 HE21 GLN 63 1HE2 GLN 63 -4.477 11.930 6.305
483 HE22 GLN 63 2HE2 GLN 63 -5.372 12.796 5.100
484 H GLU 64 H GLU 64 -7.696 6.450 6.272
485 HA GLU 64 HA GLU 64 -5.774 4.470 5.371
486 HB2 GLU 64 1HB GLU 64 -8.408 3.882 6.784
487 HB3 GLU 64 2HB GLU 64 -7.528 2.678 5.864
488 HG2 GLU 64 1HG GLU 64 -5.683 2.685 7.366
489 HG3 GLU 64 2HG GLU 64 -6.098 4.255 8.024
490 H GLY 65 H GLY 65 -5.961 4.125 3.193
491 HA2 GLY 65 1HA GLY 65 -8.588 4.408 1.934
492 HA3 GLY 65 2HA GLY 65 -7.314 5.489 1.405
493 H LEU 66 H LEU 66 -8.290 3.897 -0.541
494 HA LEU 66 HA LEU 66 -6.781 1.438 -0.642
495 HB2 LEU 66 1HB LEU 66 -8.727 2.759 -2.533
496 HB3 LEU 66 2HB LEU 66 -7.905 1.252 -2.884
497 HG LEU 66 HG LEU 66 -9.678 1.653 -0.463
498 HD11 LEU 66 1HD1 LEU 66 -10.575 0.128 -2.882
499 HD12 LEU 66 2HD1 LEU 66 -11.533 0.911 -1.602
500 HD13 LEU 66 3HD1 LEU 66 -10.736 1.901 -2.849
501 HD21 LEU 66 1HD2 LEU 66 -8.682 -0.886 -1.784
502 HD22 LEU 66 2HD2 LEU 66 -8.009 -0.161 -0.304
503 HD23 LEU 66 3HD2 LEU 66 -9.684 -0.763 -0.317
504 H LEU 67 H LEU 67 -4.855 1.125 -1.668
505 HA LEU 67 HA LEU 67 -3.815 3.450 -3.132
506 HB2 LEU 67 1HB LEU 67 -2.782 2.000 -0.920
507 HB3 LEU 67 2HB LEU 67 -1.758 1.648 -2.298
508 HG LEU 67 HG LEU 67 -2.476 4.474 -1.498
509 HD11 LEU 67 1HD1 LEU 67 -1.360 3.997 0.412
510 HD12 LEU 67 2HD1 LEU 67 -0.503 2.608 -0.298
511 HD13 LEU 67 3HD1 LEU 67 0.057 4.264 -0.632
512 HD21 LEU 67 1HD2 LEU 67 -1.550 4.849 -3.502
513 HD22 LEU 67 2HD2 LEU 67 -0.006 4.530 -2.674
514 HD23 LEU 67 3HD2 LEU 67 -0.815 3.230 -3.581
515 H ALA 68 H ALA 68 -2.665 3.076 -5.101
516 HA ALA 68 HA ALA 68 -3.702 0.851 -6.557
517 HB1 ALA 68 1HB ALA 68 -1.665 2.164 -8.029
518 HB2 ALA 68 2HB ALA 68 -3.425 2.393 -8.166
519 HB3 ALA 68 3HB ALA 68 -2.476 3.424 -7.068
520 H ALA 69 H ALA 69 -2.796 -1.132 -6.823
521 HA ALA 69 HA ALA 69 -0.484 -1.832 -5.404
522 HB1 ALA 69 1HB ALA 69 -2.451 -3.295 -6.108
523 HB2 ALA 69 2HB ALA 69 -1.730 -3.331 -7.735
524 HB3 ALA 69 3HB ALA 69 -0.837 -4.003 -6.350
525 H GLY 70 H GLY 70 -0.943 -0.201 -8.416
526 HA2 GLY 70 1HA GLY 70 1.735 -0.989 -9.364
527 HA3 GLY 70 2HA GLY 70 0.458 -0.273 -10.328
528 H ALA 71 H ALA 71 1.370 0.799 -7.021
529 HA ALA 71 HA ALA 71 2.905 3.008 -8.049
530 HB1 ALA 71 1HB ALA 71 1.256 4.571 -6.695
531 HB2 ALA 71 2HB ALA 71 0.899 4.135 -8.384
532 HB3 ALA 71 3HB ALA 71 0.077 3.286 -7.053
533 H LEU 72 H LEU 72 3.092 0.562 -6.255
534 HA LEU 72 HA LEU 72 3.981 2.026 -3.872
535 HB2 LEU 72 1HB LEU 72 2.607 -0.665 -3.933
536 HB3 LEU 72 2HB LEU 72 3.326 0.078 -2.518
537 HG LEU 72 HG LEU 72 1.068 1.347 -4.085
538 HD11 LEU 72 1HD1 LEU 72 0.793 -1.020 -2.787
539 HD12 LEU 72 2HD1 LEU 72 0.458 0.125 -1.466
540 HD13 LEU 72 3HD1 LEU 72 -0.501 0.189 -2.965
541 HD21 LEU 72 1HD2 LEU 72 2.142 1.884 -1.301
542 HD22 LEU 72 2HD2 LEU 72 2.382 2.904 -2.740
543 HD23 LEU 72 3HD2 LEU 72 0.749 2.691 -2.063
544 H ARG 73 H ARG 73 5.790 0.931 -2.719
545 HA ARG 73 HA ARG 73 7.189 -0.944 -4.418
546 HB2 ARG 73 1HB ARG 73 9.306 0.318 -4.217
547 HB3 ARG 73 2HB ARG 73 8.084 1.326 -4.966
548 HG2 ARG 73 1HG ARG 73 8.276 2.865 -3.314
549 HG3 ARG 73 2HG ARG 73 7.889 1.661 -2.100
550 HD2 ARG 73 1HD ARG 73 10.095 1.335 -1.524
551 HD3 ARG 73 2HD ARG 73 10.652 1.431 -3.183
552 HE ARG 73 HE ARG 73 10.357 3.676 -1.296
553 HH11 ARG 73 2HH2 ARG 73 10.779 2.711 -4.654
554 HH12 ARG 73 1HH2 ARG 73 11.420 4.242 -5.147
555 HH21 ARG 73 2HH1 ARG 73 11.203 5.696 -1.946
556 HH22 ARG 73 1HH1 ARG 73 11.663 5.952 -3.596
557 H GLU 74 H GLU 74 9.276 -1.762 -3.129
558 HA GLU 74 HA GLU 74 8.300 -2.379 -0.489
559 HB2 GLU 74 1HB GLU 74 9.271 -4.052 -2.277
560 HB3 GLU 74 2HB GLU 74 10.835 -3.499 -1.712
561 HG2 GLU 74 1HG GLU 74 9.778 -3.979 0.702
562 HG3 GLU 74 2HG GLU 74 8.705 -5.026 -0.206
563 H ARG 75 H ARG 75 8.901 -1.108 1.207
564 HA ARG 75 HA ARG 75 10.711 0.885 1.064
565 HB2 ARG 75 1HB ARG 75 9.120 0.751 2.904
566 HB3 ARG 75 2HB ARG 75 9.784 -0.774 3.454
567 HG2 ARG 75 1HG ARG 75 11.839 0.273 4.194
568 HG3 ARG 75 2HG ARG 75 11.463 1.767 3.358
569 HD2 ARG 75 1HD ARG 75 9.445 2.049 4.875
570 HD3 ARG 75 2HD ARG 75 9.952 0.622 5.757
571 HE ARG 75 HE ARG 75 11.107 3.273 5.968
572 HH11 ARG 75 2HH2 ARG 75 11.905 -0.149 6.163
573 HH12 ARG 75 1HH2 ARG 75 13.262 0.097 7.212
574 HH21 ARG 75 2HH1 ARG 75 12.897 3.598 7.351
575 HH22 ARG 75 1HH1 ARG 75 13.829 2.242 7.892
576 H SER 76 H SER 76 12.940 1.158 1.695
577 HA SER 76 HA SER 76 14.352 -1.208 2.517
578 HB2 SER 76 1HB SER 76 14.769 0.171 -0.147
579 HB3 SER 76 2HB SER 76 16.121 -0.611 0.649
580 HG SER 76 HG SER 76 14.702 -1.899 -0.934
581 H GLY 77 H GLY 77 16.494 -0.689 3.422
582 HA2 GLY 77 1HA GLY 77 16.571 1.708 4.854
583 HA3 GLY 77 2HA GLY 77 17.896 0.583 4.630
584 HA PRO 78 HA PRO 78 18.453 4.479 2.098
585 HB2 PRO 78 1HB PRO 78 19.687 6.203 3.822
586 HB3 PRO 78 2HB PRO 78 17.975 6.275 3.457
587 HG2 PRO 78 1HG PRO 78 19.309 5.269 5.895
588 HG3 PRO 78 2HG PRO 78 17.636 5.741 5.675
589 HD2 PRO 78 1HD PRO 78 18.659 3.065 5.809
590 HD3 PRO 78 2HD PRO 78 17.006 3.539 5.473
591 H SER 79 H SER 79 20.637 5.735 1.649
592 HA SER 79 HA SER 79 22.703 5.506 1.029
593 HB2 SER 79 1HB SER 79 22.920 3.806 3.551
594 HB3 SER 79 2HB SER 79 24.306 4.298 2.600
595 HG SER 79 HG SER 79 22.408 6.215 3.629
596 H SER 80 H SER 80 23.067 4.407 -0.862
597 HA SER 80 HA SER 80 23.515 1.599 -0.714
598 HB2 SER 80 1HB SER 80 20.920 2.578 -1.529
599 HB3 SER 80 2HB SER 80 21.708 1.881 -2.931
600 HG SER 80 HG SER 80 21.019 0.021 -2.108
601 H GLY 81 H GLY 81 25.303 1.268 -1.985
602 HA2 GLY 81 1HA GLY 81 25.723 1.704 -4.565
603 HA3 GLY 81 2HA GLY 81 26.020 3.312 -3.936
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -11.625 -34.465 6.853
2 HA2 GLY 1 1HA GLY 1 -9.964 -32.820 8.583
3 HA3 GLY 1 2HA GLY 1 -9.108 -33.792 7.403
4 H SER 2 H SER 2 -8.437 -32.319 5.867
5 HA SER 2 HA SER 2 -10.568 -31.018 4.419
6 HB2 SER 2 1HB SER 2 -9.445 -29.465 6.236
7 HB3 SER 2 2HB SER 2 -8.103 -29.400 5.112
8 HG SER 2 HG SER 2 -9.315 -27.722 4.405
9 H SER 3 H SER 3 -10.073 -30.745 2.178
10 HA SER 3 HA SER 3 -7.719 -32.220 1.386
11 HB2 SER 3 1HB SER 3 -10.398 -31.725 0.272
12 HB3 SER 3 2HB SER 3 -9.141 -31.502 -0.929
13 HG SER 3 HG SER 3 -8.338 -33.696 0.130
14 H GLY 4 H GLY 4 -9.469 -29.161 0.452
15 HA2 GLY 4 1HA GLY 4 -8.693 -27.148 -0.187
16 HA3 GLY 4 2HA GLY 4 -7.152 -27.556 0.542
17 H SER 5 H SER 5 -7.483 -26.076 -1.929
18 HA SER 5 HA SER 5 -5.915 -27.816 -3.593
19 HB2 SER 5 1HB SER 5 -7.253 -27.660 -5.546
20 HB3 SER 5 2HB SER 5 -8.393 -28.039 -4.270
21 HG SER 5 HG SER 5 -8.541 -26.000 -5.949
22 H SER 6 H SER 6 -4.094 -26.592 -3.915
23 HA SER 6 HA SER 6 -4.513 -23.722 -4.206
24 HB2 SER 6 1HB SER 6 -2.312 -23.378 -3.304
25 HB3 SER 6 2HB SER 6 -3.107 -24.532 -2.253
26 HG SER 6 HG SER 6 -1.729 -26.094 -2.842
27 H GLY 7 H GLY 7 -4.305 -22.986 -6.285
28 HA2 GLY 7 1HA GLY 7 -3.450 -24.587 -8.415
29 HA3 GLY 7 2HA GLY 7 -3.679 -22.850 -8.438
30 H ARG 8 H ARG 8 -1.558 -24.428 -9.772
31 HA ARG 8 HA ARG 8 0.758 -23.677 -8.216
32 HB2 ARG 8 1HB ARG 8 0.145 -25.835 -10.009
33 HB3 ARG 8 2HB ARG 8 1.410 -24.898 -10.778
34 HG2 ARG 8 1HG ARG 8 2.813 -25.055 -8.739
35 HG3 ARG 8 2HG ARG 8 1.533 -25.907 -7.897
36 HD2 ARG 8 1HD ARG 8 2.382 -27.859 -8.689
37 HD3 ARG 8 2HD ARG 8 1.906 -27.367 -10.302
38 HE ARG 8 HE ARG 8 4.330 -26.029 -9.795
39 HH11 ARG 8 2HH2 ARG 8 3.236 -29.368 -9.984
40 HH12 ARG 8 1HH2 ARG 8 4.771 -29.975 -10.506
41 HH21 ARG 8 2HH1 ARG 8 6.356 -26.830 -10.483
42 HH22 ARG 8 1HH1 ARG 8 6.558 -28.522 -10.792
43 H MET 9 H MET 9 0.982 -21.423 -8.520
44 HA MET 9 HA MET 9 1.785 -20.670 -11.173
45 HB2 MET 9 1HB MET 9 -0.831 -20.036 -10.086
46 HB3 MET 9 2HB MET 9 0.085 -18.544 -10.161
47 HG2 MET 9 1HG MET 9 -0.736 -18.546 -12.330
48 HG3 MET 9 2HG MET 9 0.725 -19.472 -12.611
49 HE1 MET 9 1HE MET 9 -0.608 -20.294 -14.840
50 HE2 MET 9 2HE MET 9 0.579 -21.388 -14.090
51 HE3 MET 9 3HE MET 9 -0.975 -22.028 -14.676
52 HA PRO 10 HA PRO 10 4.495 -18.248 -8.798
53 HB2 PRO 10 1HB PRO 10 5.438 -16.509 -10.684
54 HB3 PRO 10 2HB PRO 10 6.029 -18.150 -10.513
55 HG2 PRO 10 1HG PRO 10 4.223 -17.036 -12.571
56 HG3 PRO 10 2HG PRO 10 5.151 -18.522 -12.613
57 HD2 PRO 10 1HD PRO 10 2.334 -18.271 -12.136
58 HD3 PRO 10 2HD PRO 10 3.282 -19.743 -12.063
59 H THR 11 H THR 11 3.015 -17.413 -7.283
60 HA THR 11 HA THR 11 2.264 -14.649 -7.983
61 HB THR 11 HB THR 11 0.830 -16.812 -6.365
62 HG1 THR 11 1HG THR 11 -0.068 -16.899 -8.386
63 HG21 THR 11 1HG2 THR 11 0.717 -14.342 -5.422
64 HG22 THR 11 2HG2 THR 11 -0.229 -14.011 -6.893
65 HG23 THR 11 3HG2 THR 11 -0.807 -15.213 -5.714
66 H ARG 12 H ARG 12 2.627 -13.011 -6.499
67 HA ARG 12 HA ARG 12 3.510 -13.636 -3.904
68 HB2 ARG 12 1HB ARG 12 5.529 -13.672 -5.892
69 HB3 ARG 12 2HB ARG 12 5.701 -12.102 -5.134
70 HG2 ARG 12 1HG ARG 12 6.478 -12.995 -3.177
71 HG3 ARG 12 2HG ARG 12 5.264 -14.259 -3.163
72 HD2 ARG 12 1HD ARG 12 7.020 -14.876 -5.337
73 HD3 ARG 12 2HD ARG 12 8.051 -14.420 -3.995
74 HE ARG 12 HE ARG 12 6.004 -16.176 -3.022
75 HH11 ARG 12 2HH2 ARG 12 8.893 -16.232 -5.029
76 HH12 ARG 12 1HH2 ARG 12 9.250 -17.894 -4.692
77 HH21 ARG 12 2HH1 ARG 12 6.473 -18.368 -2.577
78 HH22 ARG 12 1HH1 ARG 12 7.864 -19.116 -3.289
79 H ARG 13 H ARG 13 2.866 -11.905 -2.640
80 HA ARG 13 HA ARG 13 3.003 -9.282 -3.833
81 HB2 ARG 13 1HB ARG 13 0.472 -10.484 -2.603
82 HB3 ARG 13 2HB ARG 13 0.661 -8.777 -2.950
83 HG2 ARG 13 1HG ARG 13 1.148 -10.824 -5.136
84 HG3 ARG 13 2HG ARG 13 -0.491 -10.352 -4.734
85 HD2 ARG 13 1HD ARG 13 -0.240 -8.215 -5.593
86 HD3 ARG 13 2HD ARG 13 1.432 -8.087 -5.085
87 HE ARG 13 HE ARG 13 1.393 -10.059 -7.100
88 HH11 ARG 13 2HH2 ARG 13 0.619 -6.638 -6.827
89 HH12 ARG 13 1HH2 ARG 13 0.995 -6.290 -8.482
90 HH21 ARG 13 2HH1 ARG 13 1.890 -9.601 -9.283
91 HH22 ARG 13 1HH1 ARG 13 1.723 -7.987 -9.888
92 H TRP 14 H TRP 14 2.104 -7.639 -1.916
93 HA TRP 14 HA TRP 14 3.860 -8.184 0.290
94 HB2 TRP 14 1HB TRP 14 2.108 -5.849 -0.467
95 HB3 TRP 14 2HB TRP 14 2.997 -5.914 1.042
96 HD1 TRP 14 HD TRP 14 5.856 -6.629 0.404
97 HE1 TRP 14 1HE TRP 14 7.464 -5.359 -1.259
98 HE3 TRP 14 3HE TRP 14 2.165 -4.432 -2.317
99 HZ2 TRP 14 2HZ TRP 14 7.022 -3.617 -3.476
100 HZ3 TRP 14 3HZ TRP 14 2.838 -2.961 -4.214
101 HH2 TRP 14 HH TRP 14 5.171 -2.540 -4.809
102 H ALA 15 H ALA 15 3.208 -8.516 2.478
103 HA ALA 15 HA ALA 15 0.456 -9.483 2.709
104 HB1 ALA 15 1HB ALA 15 3.005 -10.468 3.522
105 HB2 ALA 15 2HB ALA 15 2.110 -10.046 5.002
106 HB3 ALA 15 3HB ALA 15 1.404 -11.183 3.828
107 HA PRO 16 HA PRO 16 -0.555 -6.458 5.647
108 HB2 PRO 16 1HB PRO 16 -1.674 -7.756 7.775
109 HB3 PRO 16 2HB PRO 16 -2.527 -7.469 6.272
110 HG2 PRO 16 1HG PRO 16 -1.356 -9.986 7.285
111 HG3 PRO 16 2HG PRO 16 -2.554 -9.762 6.027
112 HD2 PRO 16 1HD PRO 16 0.228 -10.357 5.661
113 HD3 PRO 16 2HD PRO 16 -0.946 -10.018 4.404
114 H GLY 17 H GLY 17 0.626 -5.031 6.744
115 HA2 GLY 17 1HA GLY 17 1.675 -4.531 8.829
116 HA3 GLY 17 2HA GLY 17 2.274 -6.176 8.909
117 H THR 18 H THR 18 2.615 -5.618 5.709
118 HA THR 18 HA THR 18 5.412 -4.952 6.006
119 HB THR 18 HB THR 18 3.642 -5.729 3.629
120 HG1 THR 18 1HG THR 18 3.959 -7.493 5.035
121 HG21 THR 18 1HG2 THR 18 5.445 -5.274 2.302
122 HG22 THR 18 2HG2 THR 18 6.368 -4.702 3.713
123 HG23 THR 18 3HG2 THR 18 6.396 -6.426 3.270
124 H GLN 19 H GLN 19 6.479 -3.136 5.289
125 HA GLN 19 HA GLN 19 4.724 -0.883 4.905
126 HB2 GLN 19 1HB GLN 19 7.704 -1.147 5.461
127 HB3 GLN 19 2HB GLN 19 6.960 0.397 5.096
128 HG2 GLN 19 1HG GLN 19 5.501 0.251 7.039
129 HG3 GLN 19 2HG GLN 19 5.940 -1.421 7.322
130 HE21 GLN 19 1HE2 GLN 19 6.185 1.192 8.848
131 HE22 GLN 19 2HE2 GLN 19 7.822 1.240 9.414
132 H CYS 20 H CYS 20 4.663 0.414 3.034
133 HA CYS 20 HA CYS 20 6.358 -0.503 0.833
134 HB2 CYS 20 1HB CYS 20 4.337 -0.013 -0.673
135 HB3 CYS 20 2HB CYS 20 4.324 -1.505 0.247
136 HG CYS 20 HG CYS 20 2.750 1.346 0.703
137 H ILE 21 H ILE 21 6.518 1.253 -0.912
138 HA ILE 21 HA ILE 21 6.088 3.911 0.251
139 HB ILE 21 HB ILE 21 8.523 3.196 -1.360
140 HG12 ILE 21 1HG1 ILE 21 8.652 1.725 0.522
141 HG13 ILE 21 2HG1 ILE 21 9.760 3.056 0.794
142 HG21 ILE 21 1HG2 ILE 21 9.320 5.274 -0.822
143 HG22 ILE 21 2HG2 ILE 21 7.574 5.612 -0.892
144 HG23 ILE 21 3HG2 ILE 21 8.373 5.376 0.682
145 HD11 ILE 21 1HD1 ILE 21 7.233 3.869 1.869
146 HD12 ILE 21 2HD1 ILE 21 7.535 2.207 2.429
147 HD13 ILE 21 3HD1 ILE 21 8.727 3.487 2.759
148 H THR 22 H THR 22 5.514 5.556 -1.232
149 HA THR 22 HA THR 22 4.318 4.518 -3.652
150 HB THR 22 HB THR 22 3.284 6.759 -3.707
151 HG1 THR 22 1HG THR 22 5.028 8.081 -3.057
152 HG21 THR 22 1HG2 THR 22 3.531 5.508 -0.936
153 HG22 THR 22 2HG2 THR 22 2.574 6.986 -1.199
154 HG23 THR 22 3HG2 THR 22 2.131 5.478 -2.035
155 H LYS 23 H LYS 23 4.935 4.855 -5.741
156 HA LYS 23 HA LYS 23 7.652 5.785 -6.060
157 HB2 LYS 23 1HB LYS 23 5.679 4.474 -7.950
158 HB3 LYS 23 2HB LYS 23 7.291 4.975 -8.419
159 HG2 LYS 23 1HG LYS 23 8.280 3.209 -7.356
160 HG3 LYS 23 2HG LYS 23 7.295 3.402 -5.919
161 HD2 LYS 23 1HD LYS 23 6.296 1.458 -6.590
162 HD3 LYS 23 2HD LYS 23 5.404 2.481 -7.698
163 HE2 LYS 23 1HE LYS 23 6.694 1.856 -9.549
164 HE3 LYS 23 2HE LYS 23 8.122 1.532 -8.586
165 HZ1 LYS 23 1HZ LYS 23 7.335 -0.537 -9.151
166 HZ2 LYS 23 2HZ LYS 23 6.740 -0.358 -7.640
167 HZ3 LYS 23 3HZ LYS 23 5.763 -0.151 -8.932
168 H CYS 24 H CYS 24 4.551 7.160 -5.989
169 HA CYS 24 HA CYS 24 5.602 9.527 -7.272
170 HB2 CYS 24 1HB CYS 24 3.060 8.177 -8.233
171 HB3 CYS 24 2HB CYS 24 3.499 9.830 -8.615
172 HG CYS 24 HG CYS 24 4.179 7.261 -10.102
173 H GLU 25 H GLU 25 3.846 11.377 -6.913
174 HA GLU 25 HA GLU 25 2.842 10.954 -4.217
175 HB2 GLU 25 1HB GLU 25 2.920 13.406 -3.988
176 HB3 GLU 25 2HB GLU 25 4.480 12.787 -4.492
177 HG2 GLU 25 1HG GLU 25 2.953 13.306 -6.878
178 HG3 GLU 25 2HG GLU 25 2.787 14.707 -5.839
179 H HIS 26 H HIS 26 0.661 11.364 -3.683
180 HA HIS 26 HA HIS 26 -1.040 12.006 -5.982
181 HB2 HIS 26 1HB HIS 26 -0.936 9.560 -4.840
182 HB3 HIS 26 2HB HIS 26 -2.137 10.305 -3.804
183 HD1 HIS 26 1HD HIS 26 -1.847 11.053 -7.523
184 HD2 HIS 26 2HD HIS 26 -4.343 8.984 -4.861
185 HE1 HIS 26 1HE HIS 26 -3.906 10.363 -8.863
186 H THR 27 H THR 27 -1.682 14.088 -5.660
187 HA THR 27 HA THR 27 -2.207 14.954 -2.918
188 HB THR 27 HB THR 27 -1.899 17.153 -3.801
189 HG1 THR 27 1HG THR 27 -2.468 15.744 -6.312
190 HG21 THR 27 1HG2 THR 27 0.218 17.050 -4.724
191 HG22 THR 27 2HG2 THR 27 0.082 15.311 -4.370
192 HG23 THR 27 3HG2 THR 27 -0.297 15.919 -5.999
193 H ARG 28 H ARG 28 -3.843 13.993 -5.879
194 HA ARG 28 HA ARG 28 -6.322 14.580 -4.490
195 HB2 ARG 28 1HB ARG 28 -5.639 15.183 -7.402
196 HB3 ARG 28 2HB ARG 28 -7.300 15.051 -6.859
197 HG2 ARG 28 1HG ARG 28 -5.705 16.779 -5.083
198 HG3 ARG 28 2HG ARG 28 -5.683 17.353 -6.739
199 HD2 ARG 28 1HD ARG 28 -8.296 16.954 -6.659
200 HD3 ARG 28 2HD ARG 28 -8.081 16.943 -4.920
201 HE ARG 28 HE ARG 28 -7.816 19.257 -4.996
202 HH11 ARG 28 2HH2 ARG 28 -7.019 17.938 -8.160
203 HH12 ARG 28 1HH2 ARG 28 -6.777 19.491 -8.888
204 HH21 ARG 28 2HH1 ARG 28 -7.497 21.306 -5.957
205 HH22 ARG 28 1HH1 ARG 28 -7.051 21.420 -7.626
206 HA PRO 29 HA PRO 29 -6.327 10.276 -5.768
207 HB2 PRO 29 1HB PRO 29 -7.645 9.295 -3.584
208 HB3 PRO 29 2HB PRO 29 -5.899 9.412 -3.677
209 HG2 PRO 29 1HG PRO 29 -7.792 11.111 -2.172
210 HG3 PRO 29 2HG PRO 29 -6.062 10.936 -1.953
211 HD2 PRO 29 1HD PRO 29 -7.419 13.124 -3.217
212 HD3 PRO 29 2HD PRO 29 -5.685 12.892 -3.101
213 H LYS 30 H LYS 30 -8.164 8.555 -5.921
214 HA LYS 30 HA LYS 30 -10.165 9.839 -7.435
215 HB2 LYS 30 1HB LYS 30 -9.221 7.171 -6.946
216 HB3 LYS 30 2HB LYS 30 -10.962 7.193 -6.755
217 HG2 LYS 30 1HG LYS 30 -10.759 8.718 -9.006
218 HG3 LYS 30 2HG LYS 30 -9.310 7.751 -9.196
219 HD2 LYS 30 1HD LYS 30 -10.496 5.746 -9.413
220 HD3 LYS 30 2HD LYS 30 -11.841 6.306 -8.440
221 HE2 LYS 30 1HE LYS 30 -12.935 6.647 -10.409
222 HE3 LYS 30 2HE LYS 30 -11.923 8.065 -10.598
223 HZ1 LYS 30 1HZ LYS 30 -10.489 5.807 -11.385
224 HZ2 LYS 30 2HZ LYS 30 -11.930 5.797 -12.153
225 HZ3 LYS 30 3HZ LYS 30 -10.941 7.090 -12.289
226 HA PRO 31 HA PRO 31 -13.334 10.386 -4.544
227 HB2 PRO 31 1HB PRO 31 -15.603 9.358 -5.667
228 HB3 PRO 31 2HB PRO 31 -14.922 10.905 -6.129
229 HG2 PRO 31 1HG PRO 31 -14.848 8.336 -7.590
230 HG3 PRO 31 2HG PRO 31 -14.561 9.954 -8.199
231 HD2 PRO 31 1HD PRO 31 -12.579 7.967 -7.608
232 HD3 PRO 31 2HD PRO 31 -12.288 9.622 -8.106
233 H GLY 32 H GLY 32 -12.537 9.289 -2.747
234 HA2 GLY 32 1HA GLY 32 -13.597 7.900 -1.070
235 HA3 GLY 32 2HA GLY 32 -13.971 6.736 -2.326
236 H GLU 33 H GLU 33 -10.872 8.430 -2.472
237 HA GLU 33 HA GLU 33 -9.613 5.986 -1.492
238 HB2 GLU 33 1HB GLU 33 -9.000 7.709 -3.896
239 HB3 GLU 33 2HB GLU 33 -7.690 6.844 -3.118
240 HG2 GLU 33 1HG GLU 33 -8.972 4.700 -3.361
241 HG3 GLU 33 2HG GLU 33 -10.266 5.571 -4.160
242 H LEU 34 H LEU 34 -7.034 6.642 -1.142
243 HA LEU 34 HA LEU 34 -7.179 8.945 0.670
244 HB2 LEU 34 1HB LEU 34 -6.704 7.196 2.040
245 HB3 LEU 34 2HB LEU 34 -5.869 6.284 0.797
246 HG LEU 34 HG LEU 34 -4.039 8.147 1.021
247 HD11 LEU 34 1HD1 LEU 34 -3.980 9.468 2.868
248 HD12 LEU 34 2HD1 LEU 34 -5.746 9.330 2.696
249 HD13 LEU 34 3HD1 LEU 34 -4.884 8.308 3.871
250 HD21 LEU 34 1HD2 LEU 34 -4.242 5.589 1.878
251 HD22 LEU 34 2HD2 LEU 34 -2.805 6.612 2.113
252 HD23 LEU 34 3HD2 LEU 34 -3.991 6.428 3.427
253 H ALA 35 H ALA 35 -5.241 10.327 0.823
254 HA ALA 35 HA ALA 35 -3.873 10.424 -1.777
255 HB1 ALA 35 1HB ALA 35 -5.477 12.322 -0.605
256 HB2 ALA 35 2HB ALA 35 -3.864 12.827 -0.047
257 HB3 ALA 35 3HB ALA 35 -4.195 12.671 -1.789
258 H PHE 36 H PHE 36 -1.590 11.133 -1.735
259 HA PHE 36 HA PHE 36 -0.235 11.162 0.773
260 HB2 PHE 36 1HB PHE 36 1.141 9.095 0.126
261 HB3 PHE 36 2HB PHE 36 -0.527 8.726 0.514
262 HD1 PHE 36 2HD PHE 36 1.881 9.118 -2.247
263 HD2 PHE 36 1HD PHE 36 -2.011 7.845 -1.136
264 HE1 PHE 36 2HE PHE 36 1.612 7.997 -4.476
265 HE2 PHE 36 1HE PHE 36 -2.281 6.724 -3.365
266 HZ PHE 36 HZ PHE 36 -0.466 6.813 -5.009
267 H ARG 37 H ARG 37 2.289 11.110 0.301
268 HA ARG 37 HA ARG 37 2.618 12.697 -2.113
269 HB2 ARG 37 1HB ARG 37 3.943 12.746 0.613
270 HB3 ARG 37 2HB ARG 37 4.840 13.348 -0.768
271 HG2 ARG 37 1HG ARG 37 2.012 14.298 -0.144
272 HG3 ARG 37 2HG ARG 37 3.424 15.067 0.554
273 HD2 ARG 37 1HD ARG 37 3.494 14.652 -2.417
274 HD3 ARG 37 2HD ARG 37 2.330 15.826 -1.835
275 HE ARG 37 HE ARG 37 4.960 16.180 -0.618
276 HH11 ARG 37 2HH2 ARG 37 3.005 16.914 -3.451
277 HH12 ARG 37 1HH2 ARG 37 3.918 18.324 -3.874
278 HH21 ARG 37 2HH1 ARG 37 6.165 18.040 -1.176
279 HH22 ARG 37 1HH1 ARG 37 5.728 18.968 -2.572
280 H LYS 38 H LYS 38 5.345 12.639 -2.515
281 HA LYS 38 HA LYS 38 5.728 9.924 -3.379
282 HB2 LYS 38 1HB LYS 38 6.230 11.880 -4.821
283 HB3 LYS 38 2HB LYS 38 7.491 12.370 -3.707
284 HG2 LYS 38 1HG LYS 38 8.504 10.008 -4.038
285 HG3 LYS 38 2HG LYS 38 7.380 9.818 -5.369
286 HD2 LYS 38 1HD LYS 38 8.697 12.395 -5.616
287 HD3 LYS 38 2HD LYS 38 9.916 11.157 -5.385
288 HE2 LYS 38 1HE LYS 38 9.522 10.202 -7.434
289 HE3 LYS 38 2HE LYS 38 7.782 10.346 -7.278
290 HZ1 LYS 38 1HZ LYS 38 9.596 12.079 -8.571
291 HZ2 LYS 38 2HZ LYS 38 7.969 12.006 -8.697
292 HZ3 LYS 38 3HZ LYS 38 8.658 12.899 -7.516
293 H GLY 39 H GLY 39 6.837 8.364 -2.321
294 HA2 GLY 39 1HA GLY 39 8.400 7.425 -0.969
295 HA3 GLY 39 2HA GLY 39 9.059 9.010 -0.616
296 H ASP 40 H ASP 40 5.731 7.613 -0.175
297 HA ASP 40 HA ASP 40 5.854 8.599 2.546
298 HB2 ASP 40 1HB ASP 40 3.664 7.912 0.594
299 HB3 ASP 40 2HB ASP 40 3.299 7.735 2.298
300 H VAL 41 H VAL 41 5.460 7.142 4.343
301 HA VAL 41 HA VAL 41 5.795 4.325 3.638
302 HB VAL 41 HB VAL 41 6.288 5.921 6.152
303 HG11 VAL 41 1HG1 VAL 41 5.330 3.586 6.553
304 HG12 VAL 41 2HG1 VAL 41 6.835 2.962 5.836
305 HG13 VAL 41 3HG1 VAL 41 6.896 3.952 7.314
306 HG21 VAL 41 1HG2 VAL 41 7.948 4.913 3.925
307 HG22 VAL 41 2HG2 VAL 41 8.221 6.273 5.040
308 HG23 VAL 41 3HG2 VAL 41 8.607 4.612 5.551
309 H VAL 42 H VAL 42 4.203 2.834 3.995
310 HA VAL 42 HA VAL 42 2.014 3.591 5.763
311 HB VAL 42 HB VAL 42 0.428 2.712 3.982
312 HG11 VAL 42 1HG1 VAL 42 1.403 5.187 2.779
313 HG12 VAL 42 2HG1 VAL 42 -0.114 4.859 3.652
314 HG13 VAL 42 3HG1 VAL 42 1.362 5.273 4.556
315 HG21 VAL 42 1HG2 VAL 42 1.216 2.009 2.020
316 HG22 VAL 42 2HG2 VAL 42 1.957 3.601 1.726
317 HG23 VAL 42 3HG2 VAL 42 2.875 2.336 2.578
318 H THR 43 H THR 43 0.564 1.618 6.176
319 HA THR 43 HA THR 43 2.225 -0.815 6.054
320 HB THR 43 HB THR 43 0.438 0.311 8.270
321 HG1 THR 43 1HG THR 43 2.771 0.972 7.878
322 HG21 THR 43 1HG2 THR 43 0.321 -2.269 7.973
323 HG22 THR 43 2HG2 THR 43 2.064 -2.273 8.333
324 HG23 THR 43 3HG2 THR 43 0.906 -1.683 9.548
325 H ILE 44 H ILE 44 1.317 -2.680 5.326
326 HA ILE 44 HA ILE 44 -1.067 -2.429 3.839
327 HB ILE 44 HB ILE 44 0.527 -4.868 4.635
328 HG12 ILE 44 1HG1 ILE 44 1.602 -2.890 3.288
329 HG13 ILE 44 2HG1 ILE 44 1.877 -4.554 2.810
330 HG21 ILE 44 1HG2 ILE 44 -1.924 -4.511 3.032
331 HG22 ILE 44 2HG2 ILE 44 -0.646 -5.480 2.260
332 HG23 ILE 44 3HG2 ILE 44 -1.279 -5.952 3.855
333 HD11 ILE 44 1HD1 ILE 44 1.131 -2.765 1.006
334 HD12 ILE 44 2HD1 ILE 44 0.456 -4.411 0.949
335 HD13 ILE 44 3HD1 ILE 44 -0.497 -3.083 1.653
336 H LEU 45 H LEU 45 -2.951 -2.003 4.909
337 HA LEU 45 HA LEU 45 -3.485 -3.006 7.486
338 HB2 LEU 45 1HB LEU 45 -5.292 -1.814 5.379
339 HB3 LEU 45 2HB LEU 45 -5.776 -2.156 7.028
340 HG LEU 45 HG LEU 45 -3.407 -0.379 6.511
341 HD11 LEU 45 1HD1 LEU 45 -6.307 0.494 6.404
342 HD12 LEU 45 2HD1 LEU 45 -4.900 1.581 6.485
343 HD13 LEU 45 3HD1 LEU 45 -5.132 0.529 5.068
344 HD21 LEU 45 1HD2 LEU 45 -4.644 -1.330 8.809
345 HD22 LEU 45 2HD2 LEU 45 -3.496 0.026 8.698
346 HD23 LEU 45 3HD2 LEU 45 -5.249 0.336 8.650
347 H GLU 46 H GLU 46 -4.992 -3.820 4.275
348 HA GLU 46 HA GLU 46 -5.126 -6.556 5.214
349 HB2 GLU 46 1HB GLU 46 -7.504 -4.954 4.179
350 HB3 GLU 46 2HB GLU 46 -7.503 -6.703 4.300
351 HG2 GLU 46 1HG GLU 46 -7.502 -6.690 6.642
352 HG3 GLU 46 2HG GLU 46 -6.686 -5.142 6.745
353 H ALA 47 H ALA 47 -5.541 -8.120 3.384
354 HA ALA 47 HA ALA 47 -4.529 -6.970 0.874
355 HB1 ALA 47 1HB ALA 47 -3.410 -8.930 2.484
356 HB2 ALA 47 2HB ALA 47 -4.279 -9.880 1.255
357 HB3 ALA 47 3HB ALA 47 -3.058 -8.684 0.757
358 H CYS 48 H CYS 48 -6.157 -6.716 -0.572
359 HA CYS 48 HA CYS 48 -7.872 -8.988 -1.038
360 HB2 CYS 48 1HB CYS 48 -8.864 -7.107 0.675
361 HB3 CYS 48 2HB CYS 48 -9.407 -6.459 -0.860
362 HG CYS 48 HG CYS 48 -10.709 -8.441 -1.707
363 H GLU 49 H GLU 49 -5.992 -8.543 -2.769
364 HA GLU 49 HA GLU 49 -6.079 -6.388 -4.428
365 HB2 GLU 49 1HB GLU 49 -4.298 -8.093 -4.468
366 HB3 GLU 49 2HB GLU 49 -5.415 -9.290 -5.091
367 HG2 GLU 49 1HG GLU 49 -4.987 -8.604 -7.206
368 HG3 GLU 49 2HG GLU 49 -5.603 -7.009 -6.822
369 H ASN 50 H ASN 50 -7.844 -5.551 -5.460
370 HA ASN 50 HA ASN 50 -9.766 -7.467 -6.495
371 HB2 ASN 50 1HB ASN 50 -9.906 -4.573 -5.612
372 HB3 ASN 50 2HB ASN 50 -11.061 -5.121 -6.811
373 HD21 ASN 50 1HD2 ASN 50 -12.222 -4.323 -4.679
374 HD22 ASN 50 2HD2 ASN 50 -12.752 -5.590 -3.623
375 H LYS 51 H LYS 51 -8.365 -4.188 -7.298
376 HA LYS 51 HA LYS 51 -7.911 -5.114 -10.021
377 HB2 LYS 51 1HB LYS 51 -9.336 -2.495 -9.536
378 HB3 LYS 51 2HB LYS 51 -9.081 -3.333 -11.054
379 HG2 LYS 51 1HG LYS 51 -10.592 -5.144 -10.387
380 HG3 LYS 51 2HG LYS 51 -10.722 -4.503 -8.761
381 HD2 LYS 51 1HD LYS 51 -12.716 -3.829 -9.969
382 HD3 LYS 51 2HD LYS 51 -11.744 -2.393 -9.720
383 HE2 LYS 51 1HE LYS 51 -11.041 -2.312 -11.990
384 HE3 LYS 51 2HE LYS 51 -11.402 -4.004 -12.267
385 HZ1 LYS 51 1HZ LYS 51 -13.367 -1.860 -11.854
386 HZ2 LYS 51 2HZ LYS 51 -13.078 -2.665 -13.245
387 HZ3 LYS 51 3HZ LYS 51 -13.753 -3.442 -11.978
388 H SER 52 H SER 52 -5.863 -5.059 -8.364
389 HA SER 52 HA SER 52 -3.873 -4.237 -8.085
390 HB2 SER 52 1HB SER 52 -4.700 -2.170 -10.170
391 HB3 SER 52 2HB SER 52 -3.068 -2.334 -9.554
392 HG SER 52 HG SER 52 -2.778 -4.210 -10.641
393 H TRP 53 H TRP 53 -5.345 -3.691 -5.997
394 HA TRP 53 HA TRP 53 -4.647 -0.946 -5.316
395 HB2 TRP 53 1HB TRP 53 -7.426 -2.100 -5.058
396 HB3 TRP 53 2HB TRP 53 -6.877 -0.674 -4.200
397 HD1 TRP 53 HD TRP 53 -7.872 -1.817 -7.730
398 HE1 TRP 53 1HE TRP 53 -8.221 0.239 -9.347
399 HE3 TRP 53 3HE TRP 53 -6.063 1.687 -4.519
400 HZ2 TRP 53 2HZ TRP 53 -7.713 3.037 -9.107
401 HZ3 TRP 53 3HZ TRP 53 -6.025 4.057 -5.289
402 HH2 TRP 53 HH TRP 53 -6.811 4.754 -7.496
403 H TYR 54 H TYR 54 -4.524 -0.680 -2.926
404 HA TYR 54 HA TYR 54 -4.671 -3.134 -1.385
405 HB2 TYR 54 1HB TYR 54 -2.208 -1.566 -2.247
406 HB3 TYR 54 2HB TYR 54 -2.206 -2.211 -0.618
407 HD1 TYR 54 1HD TYR 54 -2.570 -4.742 -0.321
408 HD2 TYR 54 2HD TYR 54 -1.651 -2.934 -4.088
409 HE1 TYR 54 1HE TYR 54 -1.798 -6.992 -1.221
410 HE2 TYR 54 2HE TYR 54 -0.882 -5.189 -4.975
411 HH TYR 54 HH TYR 54 -1.692 -7.940 -3.843
412 H ARG 55 H ARG 55 -5.480 -2.692 0.610
413 HA ARG 55 HA ARG 55 -5.874 0.041 1.265
414 HB2 ARG 55 1HB ARG 55 -7.565 -1.803 1.701
415 HB3 ARG 55 2HB ARG 55 -6.487 -2.464 2.914
416 HG2 ARG 55 1HG ARG 55 -6.694 -0.509 4.316
417 HG3 ARG 55 2HG ARG 55 -7.433 0.428 3.033
418 HD2 ARG 55 1HD ARG 55 -9.094 -1.862 3.316
419 HD3 ARG 55 2HD ARG 55 -8.699 -1.384 4.955
420 HE ARG 55 HE ARG 55 -9.888 0.634 4.656
421 HH11 ARG 55 2HH2 ARG 55 -9.515 -1.026 1.575
422 HH12 ARG 55 1HH2 ARG 55 -10.635 0.001 0.742
423 HH21 ARG 55 2HH1 ARG 55 -11.364 1.988 3.557
424 HH22 ARG 55 1HH1 ARG 55 -11.693 1.726 1.876
425 H VAL 56 H VAL 56 -4.236 1.227 2.204
426 HA VAL 56 HA VAL 56 -2.620 -0.148 4.237
427 HB VAL 56 HB VAL 56 -0.701 1.072 3.517
428 HG11 VAL 56 1HG1 VAL 56 -0.383 -0.614 2.090
429 HG12 VAL 56 2HG1 VAL 56 -2.130 -0.739 1.770
430 HG13 VAL 56 3HG1 VAL 56 -1.130 0.385 0.819
431 HG21 VAL 56 1HG2 VAL 56 -0.662 2.697 1.766
432 HG22 VAL 56 2HG2 VAL 56 -2.352 2.357 1.323
433 HG23 VAL 56 3HG2 VAL 56 -1.981 3.153 2.871
434 H LYS 57 H LYS 57 -1.455 1.673 5.647
435 HA LYS 57 HA LYS 57 -3.514 3.688 6.231
436 HB2 LYS 57 1HB LYS 57 -3.461 1.863 7.900
437 HB3 LYS 57 2HB LYS 57 -1.767 2.188 8.206
438 HG2 LYS 57 1HG LYS 57 -2.850 4.719 8.489
439 HG3 LYS 57 2HG LYS 57 -4.174 3.722 9.059
440 HD2 LYS 57 1HD LYS 57 -2.536 2.528 10.594
441 HD3 LYS 57 2HD LYS 57 -1.299 3.662 10.090
442 HE2 LYS 57 1HE LYS 57 -2.677 5.563 10.932
443 HE3 LYS 57 2HE LYS 57 -3.945 4.449 11.403
444 HZ1 LYS 57 1HZ LYS 57 -2.626 4.880 13.279
445 HZ2 LYS 57 2HZ LYS 57 -2.256 3.357 12.822
446 HZ3 LYS 57 3HZ LYS 57 -1.225 4.580 12.494
447 H HIS 58 H HIS 58 -2.856 5.777 6.152
448 HA HIS 58 HA HIS 58 -0.136 6.269 5.440
449 HB2 HIS 58 1HB HIS 58 -2.359 7.429 4.654
450 HB3 HIS 58 2HB HIS 58 -2.132 8.421 6.080
451 HD2 HIS 58 2HD HIS 58 -0.865 8.189 2.466
452 HE1 HIS 58 1HE HIS 58 1.681 10.959 4.454
453 HE2 HIS 58 2HE HIS 58 0.988 9.915 2.190
454 H HIS 59 H HIS 59 1.528 6.694 6.803
455 HA HIS 59 HA HIS 59 1.173 6.607 9.556
456 HB2 HIS 59 1HB HIS 59 3.259 6.235 7.975
457 HB3 HIS 59 2HB HIS 59 3.569 7.924 8.323
458 HD1 HIS 59 1HD HIS 59 2.171 5.465 10.873
459 HD2 HIS 59 2HD HIS 59 5.715 7.548 10.040
460 HE1 HIS 59 1HE HIS 59 3.695 5.117 12.890
461 H THR 60 H THR 60 2.486 9.456 7.723
462 HA THR 60 HA THR 60 2.087 11.314 9.691
463 HB THR 60 HB THR 60 2.010 11.505 6.638
464 HG1 THR 60 1HG THR 60 4.235 12.359 7.341
465 HG21 THR 60 1HG2 THR 60 3.021 13.869 7.976
466 HG22 THR 60 2HG2 THR 60 1.678 13.757 6.813
467 HG23 THR 60 3HG2 THR 60 1.367 13.558 8.554
468 H SER 61 H SER 61 -0.180 10.813 6.896
469 HA SER 61 HA SER 61 -2.123 12.452 7.850
470 HB2 SER 61 1HB SER 61 -1.863 10.390 5.819
471 HB3 SER 61 2HB SER 61 -3.440 10.264 6.571
472 HG SER 61 HG SER 61 -3.511 11.738 4.791
473 H GLY 62 H GLY 62 -2.154 8.811 8.069
474 HA2 GLY 62 1HA GLY 62 -2.560 7.611 10.029
475 HA3 GLY 62 2HA GLY 62 -3.282 9.027 10.767
476 H GLN 63 H GLN 63 -4.130 8.271 7.422
477 HA GLN 63 HA GLN 63 -6.749 7.459 8.406
478 HB2 GLN 63 1HB GLN 63 -6.070 8.562 5.649
479 HB3 GLN 63 2HB GLN 63 -7.670 8.330 6.324
480 HG2 GLN 63 1HG GLN 63 -7.458 10.144 7.821
481 HG3 GLN 63 2HG GLN 63 -5.706 10.082 7.815
482 HE21 GLN 63 1HE2 GLN 63 -4.832 11.755 6.889
483 HE22 GLN 63 2HE2 GLN 63 -5.397 12.605 5.489
484 H GLU 64 H GLU 64 -7.953 6.072 6.534
485 HA GLU 64 HA GLU 64 -6.010 4.107 5.607
486 HB2 GLU 64 1HB GLU 64 -8.729 3.535 6.868
487 HB3 GLU 64 2HB GLU 64 -7.693 2.322 6.141
488 HG2 GLU 64 1HG GLU 64 -6.053 2.503 7.836
489 HG3 GLU 64 2HG GLU 64 -6.554 4.118 8.295
490 H GLY 65 H GLY 65 -6.030 4.157 3.403
491 HA2 GLY 65 1HA GLY 65 -8.645 4.179 2.060
492 HA3 GLY 65 2HA GLY 65 -7.453 5.389 1.627
493 H LEU 66 H LEU 66 -8.268 3.748 -0.392
494 HA LEU 66 HA LEU 66 -6.606 1.421 -0.555
495 HB2 LEU 66 1HB LEU 66 -8.457 2.815 -2.485
496 HB3 LEU 66 2HB LEU 66 -7.518 1.401 -2.919
497 HG LEU 66 HG LEU 66 -9.513 1.471 -0.640
498 HD11 LEU 66 1HD1 LEU 66 -9.870 0.508 -3.490
499 HD12 LEU 66 2HD1 LEU 66 -11.002 0.191 -2.154
500 HD13 LEU 66 3HD1 LEU 66 -10.711 1.861 -2.696
501 HD21 LEU 66 1HD2 LEU 66 -9.375 -1.032 -0.902
502 HD22 LEU 66 2HD2 LEU 66 -7.962 -0.770 -1.952
503 HD23 LEU 66 3HD2 LEU 66 -7.917 -0.245 -0.251
504 H LEU 67 H LEU 67 -4.933 1.092 -2.212
505 HA LEU 67 HA LEU 67 -3.751 3.576 -3.186
506 HB2 LEU 67 1HB LEU 67 -2.816 2.676 -0.903
507 HB3 LEU 67 2HB LEU 67 -1.983 1.519 -1.922
508 HG LEU 67 HG LEU 67 -1.775 4.521 -2.268
509 HD11 LEU 67 1HD1 LEU 67 -0.649 4.435 -0.321
510 HD12 LEU 67 2HD1 LEU 67 -0.390 2.676 -0.420
511 HD13 LEU 67 3HD1 LEU 67 0.659 3.783 -1.338
512 HD21 LEU 67 1HD2 LEU 67 -0.991 3.866 -4.268
513 HD22 LEU 67 2HD2 LEU 67 0.478 3.449 -3.353
514 HD23 LEU 67 3HD2 LEU 67 -0.721 2.190 -3.734
515 H ALA 68 H ALA 68 -2.979 3.404 -5.254
516 HA ALA 68 HA ALA 68 -3.718 1.246 -6.809
517 HB1 ALA 68 1HB ALA 68 -3.278 2.926 -8.245
518 HB2 ALA 68 2HB ALA 68 -2.220 3.745 -7.071
519 HB3 ALA 68 3HB ALA 68 -1.564 2.464 -8.119
520 H ALA 69 H ALA 69 -2.987 -0.815 -6.839
521 HA ALA 69 HA ALA 69 -0.758 -1.644 -5.398
522 HB1 ALA 69 1HB ALA 69 -2.697 -3.059 -6.032
523 HB2 ALA 69 2HB ALA 69 -2.172 -2.996 -7.732
524 HB3 ALA 69 3HB ALA 69 -1.150 -3.796 -6.514
525 H GLY 70 H GLY 70 -1.111 -0.278 -8.628
526 HA2 GLY 70 1HA GLY 70 1.563 -1.163 -9.421
527 HA3 GLY 70 2HA GLY 70 0.371 -0.350 -10.416
528 H ALA 71 H ALA 71 1.393 0.620 -7.097
529 HA ALA 71 HA ALA 71 3.085 2.707 -8.114
530 HB1 ALA 71 1HB ALA 71 0.332 3.239 -7.893
531 HB2 ALA 71 2HB ALA 71 1.056 3.946 -6.428
532 HB3 ALA 71 3HB ALA 71 1.644 4.434 -8.035
533 H LEU 72 H LEU 72 3.195 0.278 -6.377
534 HA LEU 72 HA LEU 72 4.015 1.649 -3.913
535 HB2 LEU 72 1HB LEU 72 2.581 -0.979 -4.252
536 HB3 LEU 72 2HB LEU 72 3.474 -0.577 -2.799
537 HG LEU 72 HG LEU 72 1.246 1.166 -3.868
538 HD11 LEU 72 1HD1 LEU 72 0.418 -1.137 -3.446
539 HD12 LEU 72 2HD1 LEU 72 0.983 -0.997 -1.764
540 HD13 LEU 72 3HD1 LEU 72 -0.294 0.086 -2.366
541 HD21 LEU 72 1HD2 LEU 72 2.766 1.025 -1.267
542 HD22 LEU 72 2HD2 LEU 72 2.543 2.409 -2.364
543 HD23 LEU 72 3HD2 LEU 72 1.176 1.814 -1.392
544 H ARG 73 H ARG 73 5.894 0.704 -2.835
545 HA ARG 73 HA ARG 73 7.350 -1.189 -4.442
546 HB2 ARG 73 1HB ARG 73 9.408 0.210 -4.447
547 HB3 ARG 73 2HB ARG 73 8.104 1.021 -5.292
548 HG2 ARG 73 1HG ARG 73 8.330 2.796 -3.904
549 HG3 ARG 73 2HG ARG 73 7.845 1.788 -2.556
550 HD2 ARG 73 1HD ARG 73 10.017 1.485 -1.815
551 HD3 ARG 73 2HD ARG 73 10.680 1.435 -3.437
552 HE ARG 73 HE ARG 73 9.749 4.086 -2.985
553 HH11 ARG 73 2HH2 ARG 73 12.237 1.909 -1.780
554 HH12 ARG 73 1HH2 ARG 73 13.325 3.186 -1.347
555 HH21 ARG 73 2HH1 ARG 73 11.184 5.771 -2.414
556 HH22 ARG 73 1HH1 ARG 73 12.721 5.397 -1.710
557 H GLU 74 H GLU 74 9.534 -1.759 -3.188
558 HA GLU 74 HA GLU 74 8.725 -2.127 -0.446
559 HB2 GLU 74 1HB GLU 74 9.755 -3.900 -2.166
560 HB3 GLU 74 2HB GLU 74 11.278 -3.261 -1.580
561 HG2 GLU 74 1HG GLU 74 10.317 -3.644 0.814
562 HG3 GLU 74 2HG GLU 74 9.077 -4.607 0.035
563 H ARG 75 H ARG 75 9.269 -0.516 0.966
564 HA ARG 75 HA ARG 75 10.953 1.491 0.556
565 HB2 ARG 75 1HB ARG 75 9.461 1.284 2.535
566 HB3 ARG 75 2HB ARG 75 10.484 0.028 3.203
567 HG2 ARG 75 1HG ARG 75 12.409 1.712 3.199
568 HG3 ARG 75 2HG ARG 75 11.253 2.946 2.739
569 HD2 ARG 75 1HD ARG 75 9.956 2.577 4.803
570 HD3 ARG 75 2HD ARG 75 10.966 1.214 5.241
571 HE ARG 75 HE ARG 75 12.548 3.620 4.827
572 HH11 ARG 75 2HH2 ARG 75 10.495 1.957 7.152
573 HH12 ARG 75 1HH2 ARG 75 11.213 2.726 8.528
574 HH21 ARG 75 2HH1 ARG 75 13.495 4.634 6.642
575 HH22 ARG 75 1HH1 ARG 75 12.931 4.259 8.236
576 H SER 76 H SER 76 13.196 1.968 0.910
577 HA SER 76 HA SER 76 14.899 -0.230 0.543
578 HB2 SER 76 1HB SER 76 16.713 1.482 0.657
579 HB3 SER 76 2HB SER 76 15.423 1.945 -0.435
580 HG SER 76 HG SER 76 14.665 3.465 1.024
581 H GLY 77 H GLY 77 15.719 -1.580 2.099
582 HA2 GLY 77 1HA GLY 77 15.780 -0.569 4.878
583 HA3 GLY 77 2HA GLY 77 15.506 -2.236 4.411
584 HA PRO 78 HA PRO 78 19.924 -1.991 5.227
585 HB2 PRO 78 1HB PRO 78 20.118 -4.292 6.689
586 HB3 PRO 78 2HB PRO 78 19.858 -2.717 7.412
587 HG2 PRO 78 1HG PRO 78 17.924 -4.918 7.019
588 HG3 PRO 78 2HG PRO 78 17.813 -3.537 8.093
589 HD2 PRO 78 1HD PRO 78 16.446 -3.883 5.595
590 HD3 PRO 78 2HD PRO 78 16.426 -2.456 6.611
591 H SER 79 H SER 79 20.497 -2.168 3.072
592 HA SER 79 HA SER 79 20.190 -4.781 1.942
593 HB2 SER 79 1HB SER 79 20.148 -2.258 0.871
594 HB3 SER 79 2HB SER 79 21.802 -2.712 0.513
595 HG SER 79 HG SER 79 20.433 -3.357 -1.218
596 H SER 80 H SER 80 22.047 -6.015 1.037
597 HA SER 80 HA SER 80 24.641 -5.218 1.948
598 HB2 SER 80 1HB SER 80 24.092 -6.352 3.946
599 HB3 SER 80 2HB SER 80 23.140 -7.568 3.118
600 HG SER 80 HG SER 80 24.883 -8.789 2.964
601 H GLY 81 H GLY 81 25.550 -5.314 -0.102
602 HA2 GLY 81 1HA GLY 81 26.477 -7.534 -1.276
603 HA3 GLY 81 2HA GLY 81 24.844 -7.472 -1.909
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -20.769 -17.290 9.053
2 HA2 GLY 1 1HA GLY 1 -18.056 -17.602 9.753
3 HA3 GLY 1 2HA GLY 1 -18.781 -17.880 8.183
4 H SER 2 H SER 2 -16.990 -16.939 7.048
5 HA SER 2 HA SER 2 -17.249 -14.124 6.796
6 HB2 SER 2 1HB SER 2 -15.087 -15.253 8.436
7 HB3 SER 2 2HB SER 2 -14.455 -14.318 7.096
8 HG SER 2 HG SER 2 -15.216 -13.290 9.336
9 H SER 3 H SER 3 -14.891 -16.843 6.211
10 HA SER 3 HA SER 3 -15.503 -16.928 3.488
11 HB2 SER 3 1HB SER 3 -13.565 -15.964 2.474
12 HB3 SER 3 2HB SER 3 -14.140 -14.768 3.618
13 HG SER 3 HG SER 3 -12.457 -15.208 5.010
14 H GLY 4 H GLY 4 -13.960 -18.513 2.327
15 HA2 GLY 4 1HA GLY 4 -12.463 -20.194 4.225
16 HA3 GLY 4 2HA GLY 4 -13.735 -20.905 3.251
17 H SER 5 H SER 5 -10.768 -18.834 2.934
18 HA SER 5 HA SER 5 -9.714 -20.554 0.990
19 HB2 SER 5 1HB SER 5 -11.518 -18.613 -0.028
20 HB3 SER 5 2HB SER 5 -9.921 -17.990 -0.395
21 HG SER 5 HG SER 5 -10.288 -19.310 -2.111
22 H SER 6 H SER 6 -7.496 -20.359 1.165
23 HA SER 6 HA SER 6 -6.182 -17.942 1.284
24 HB2 SER 6 1HB SER 6 -7.068 -17.626 3.521
25 HB3 SER 6 2HB SER 6 -6.639 -19.259 3.991
26 HG SER 6 HG SER 6 -4.579 -18.679 4.322
27 H GLY 7 H GLY 7 -4.525 -18.738 0.019
28 HA2 GLY 7 1HA GLY 7 -2.475 -20.276 1.003
29 HA3 GLY 7 2HA GLY 7 -3.575 -21.422 0.264
30 H ARG 8 H ARG 8 -1.029 -19.183 -0.287
31 HA ARG 8 HA ARG 8 -1.258 -19.708 -3.101
32 HB2 ARG 8 1HB ARG 8 -1.961 -17.153 -1.980
33 HB3 ARG 8 2HB ARG 8 -0.428 -16.938 -2.802
34 HG2 ARG 8 1HG ARG 8 -1.783 -18.463 -4.657
35 HG3 ARG 8 2HG ARG 8 -3.114 -17.580 -3.935
36 HD2 ARG 8 1HD ARG 8 -2.513 -15.655 -4.991
37 HD3 ARG 8 2HD ARG 8 -0.866 -15.773 -4.405
38 HE ARG 8 HE ARG 8 -0.903 -17.671 -6.394
39 HH11 ARG 8 2HH2 ARG 8 -1.893 -14.296 -6.307
40 HH12 ARG 8 1HH2 ARG 8 -1.555 -14.021 -7.983
41 HH21 ARG 8 2HH1 ARG 8 -0.457 -17.309 -8.606
42 HH22 ARG 8 1HH1 ARG 8 -0.733 -15.746 -9.300
43 H MET 9 H MET 9 0.624 -21.063 -2.685
44 HA MET 9 HA MET 9 2.865 -20.116 -1.345
45 HB2 MET 9 1HB MET 9 1.984 -22.489 -2.751
46 HB3 MET 9 2HB MET 9 3.567 -22.077 -3.380
47 HG2 MET 9 1HG MET 9 4.633 -22.390 -1.314
48 HG3 MET 9 2HG MET 9 3.198 -21.998 -0.387
49 HE1 MET 9 1HE MET 9 0.856 -24.833 -1.027
50 HE2 MET 9 2HE MET 9 1.523 -24.456 0.580
51 HE3 MET 9 3HE MET 9 1.147 -23.140 -0.559
52 HA PRO 10 HA PRO 10 4.496 -19.096 -5.683
53 HB2 PRO 10 1HB PRO 10 2.804 -19.148 -7.828
54 HB3 PRO 10 2HB PRO 10 3.848 -20.488 -7.399
55 HG2 PRO 10 1HG PRO 10 0.929 -20.219 -7.021
56 HG3 PRO 10 2HG PRO 10 1.909 -21.671 -6.999
57 HD2 PRO 10 1HD PRO 10 0.828 -20.296 -4.726
58 HD3 PRO 10 2HD PRO 10 1.903 -21.680 -4.700
59 H THR 11 H THR 11 4.905 -17.062 -6.563
60 HA THR 11 HA THR 11 4.699 -14.833 -6.362
61 HB THR 11 HB THR 11 2.048 -15.715 -7.612
62 HG1 THR 11 1HG THR 11 4.629 -14.659 -8.538
63 HG21 THR 11 1HG2 THR 11 1.957 -13.459 -8.609
64 HG22 THR 11 2HG2 THR 11 1.944 -13.302 -6.836
65 HG23 THR 11 3HG2 THR 11 3.441 -12.989 -7.747
66 H ARG 12 H ARG 12 4.871 -14.458 -4.147
67 HA ARG 12 HA ARG 12 2.311 -14.289 -2.785
68 HB2 ARG 12 1HB ARG 12 4.438 -15.636 -1.904
69 HB3 ARG 12 2HB ARG 12 4.992 -14.058 -1.382
70 HG2 ARG 12 1HG ARG 12 3.471 -13.949 0.324
71 HG3 ARG 12 2HG ARG 12 2.165 -14.558 -0.672
72 HD2 ARG 12 1HD ARG 12 2.342 -16.537 0.431
73 HD3 ARG 12 2HD ARG 12 3.886 -16.780 -0.360
74 HE ARG 12 HE ARG 12 4.536 -15.125 1.759
75 HH11 ARG 12 2HH2 ARG 12 2.825 -18.190 1.508
76 HH12 ARG 12 1HH2 ARG 12 3.296 -18.728 3.086
77 HH21 ARG 12 2HH1 ARG 12 5.156 -15.834 3.841
78 HH22 ARG 12 1HH1 ARG 12 4.630 -17.379 4.422
79 H ARG 13 H ARG 13 1.457 -12.234 -2.721
80 HA ARG 13 HA ARG 13 3.065 -10.020 -3.336
81 HB2 ARG 13 1HB ARG 13 0.189 -10.423 -2.455
82 HB3 ARG 13 2HB ARG 13 0.847 -8.799 -2.493
83 HG2 ARG 13 1HG ARG 13 0.405 -8.739 -4.716
84 HG3 ARG 13 2HG ARG 13 1.664 -9.935 -4.949
85 HD2 ARG 13 1HD ARG 13 -0.089 -11.741 -4.446
86 HD3 ARG 13 2HD ARG 13 -1.304 -10.478 -4.478
87 HE ARG 13 HE ARG 13 0.436 -10.551 -6.853
88 HH11 ARG 13 2HH2 ARG 13 -2.569 -11.658 -5.396
89 HH12 ARG 13 1HH2 ARG 13 -3.323 -12.016 -6.914
90 HH21 ARG 13 2HH1 ARG 13 -0.557 -11.023 -8.856
91 HH22 ARG 13 1HH1 ARG 13 -2.171 -11.652 -8.895
92 H TRP 14 H TRP 14 2.467 -7.924 -1.695
93 HA TRP 14 HA TRP 14 4.064 -8.411 0.569
94 HB2 TRP 14 1HB TRP 14 2.328 -6.082 -0.251
95 HB3 TRP 14 2HB TRP 14 3.314 -6.083 1.198
96 HD1 TRP 14 HD TRP 14 6.078 -7.113 0.263
97 HE1 TRP 14 1HE TRP 14 7.611 -5.910 -1.517
98 HE3 TRP 14 3HE TRP 14 2.333 -4.495 -1.966
99 HZ2 TRP 14 2HZ TRP 14 7.096 -4.040 -3.610
100 HZ3 TRP 14 3HZ TRP 14 2.933 -3.003 -3.871
101 HH2 TRP 14 HH TRP 14 5.220 -2.753 -4.698
102 H ALA 15 H ALA 15 3.495 -8.840 2.714
103 HA ALA 15 HA ALA 15 0.758 -9.716 3.096
104 HB1 ALA 15 1HB ALA 15 2.318 -10.031 5.452
105 HB2 ALA 15 2HB ALA 15 1.844 -11.285 4.281
106 HB3 ALA 15 3HB ALA 15 3.384 -10.415 4.079
107 HA PRO 16 HA PRO 16 -0.407 -6.390 5.608
108 HB2 PRO 16 1HB PRO 16 -1.779 -7.507 7.691
109 HB3 PRO 16 2HB PRO 16 -2.467 -7.297 6.093
110 HG2 PRO 16 1HG PRO 16 -1.494 -9.773 7.382
111 HG3 PRO 16 2HG PRO 16 -2.552 -9.600 5.996
112 HD2 PRO 16 1HD PRO 16 0.229 -10.300 5.955
113 HD3 PRO 16 2HD PRO 16 -0.800 -10.013 4.566
114 H GLY 17 H GLY 17 1.017 -5.035 6.488
115 HA2 GLY 17 1HA GLY 17 1.740 -4.451 8.789
116 HA3 GLY 17 2HA GLY 17 2.378 -6.079 8.900
117 H THR 18 H THR 18 2.792 -5.329 5.691
118 HA THR 18 HA THR 18 5.577 -4.615 6.151
119 HB THR 18 HB THR 18 3.952 -5.598 3.752
120 HG1 THR 18 1HG THR 18 4.643 -7.002 5.634
121 HG21 THR 18 1HG2 THR 18 6.843 -5.865 3.511
122 HG22 THR 18 2HG2 THR 18 5.704 -5.105 2.372
123 HG23 THR 18 3HG2 THR 18 6.420 -4.145 3.689
124 H GLN 19 H GLN 19 6.570 -2.738 5.534
125 HA GLN 19 HA GLN 19 4.738 -0.591 4.997
126 HB2 GLN 19 1HB GLN 19 7.695 -0.705 5.699
127 HB3 GLN 19 2HB GLN 19 6.903 0.797 5.267
128 HG2 GLN 19 1HG GLN 19 5.262 0.483 7.116
129 HG3 GLN 19 2HG GLN 19 6.009 -1.046 7.534
130 HE21 GLN 19 1HE2 GLN 19 5.718 1.058 9.315
131 HE22 GLN 19 2HE2 GLN 19 7.271 1.677 9.767
132 H CYS 20 H CYS 20 4.294 0.106 2.954
133 HA CYS 20 HA CYS 20 6.269 -0.560 0.897
134 HB2 CYS 20 1HB CYS 20 3.264 -0.202 0.688
135 HB3 CYS 20 2HB CYS 20 4.325 -0.335 -0.700
136 HG CYS 20 HG CYS 20 5.447 -2.542 0.968
137 H ILE 21 H ILE 21 6.764 1.123 -0.686
138 HA ILE 21 HA ILE 21 6.084 3.803 0.307
139 HB ILE 21 HB ILE 21 8.504 3.061 -1.324
140 HG12 ILE 21 1HG1 ILE 21 8.790 1.741 0.607
141 HG13 ILE 21 2HG1 ILE 21 9.742 3.187 0.881
142 HG21 ILE 21 1HG2 ILE 21 9.353 5.178 -0.711
143 HG22 ILE 21 2HG2 ILE 21 7.668 5.454 -1.211
144 HG23 ILE 21 3HG2 ILE 21 8.089 5.420 0.518
145 HD11 ILE 21 1HD1 ILE 21 8.635 3.306 2.871
146 HD12 ILE 21 2HD1 ILE 21 7.279 3.942 1.910
147 HD13 ILE 21 3HD1 ILE 21 7.346 2.211 2.318
148 H THR 22 H THR 22 5.703 5.477 -1.310
149 HA THR 22 HA THR 22 4.320 4.362 -3.606
150 HB THR 22 HB THR 22 3.553 6.783 -3.788
151 HG1 THR 22 1HG THR 22 5.237 7.930 -2.808
152 HG21 THR 22 1HG2 THR 22 1.997 5.713 -2.400
153 HG22 THR 22 2HG2 THR 22 3.249 5.150 -1.267
154 HG23 THR 22 3HG2 THR 22 2.706 6.845 -1.223
155 H LYS 23 H LYS 23 4.676 5.003 -5.790
156 HA LYS 23 HA LYS 23 7.497 5.589 -6.245
157 HB2 LYS 23 1HB LYS 23 5.342 4.182 -7.781
158 HB3 LYS 23 2HB LYS 23 6.665 4.913 -8.667
159 HG2 LYS 23 1HG LYS 23 8.225 3.685 -6.953
160 HG3 LYS 23 2HG LYS 23 6.807 2.738 -6.548
161 HD2 LYS 23 1HD LYS 23 6.923 2.800 -9.404
162 HD3 LYS 23 2HD LYS 23 8.562 2.501 -8.861
163 HE2 LYS 23 1HE LYS 23 7.201 0.800 -7.193
164 HE3 LYS 23 2HE LYS 23 6.122 0.788 -8.574
165 HZ1 LYS 23 1HZ LYS 23 7.561 -0.439 -9.676
166 HZ2 LYS 23 2HZ LYS 23 8.800 0.589 -9.406
167 HZ3 LYS 23 3HZ LYS 23 8.462 -0.584 -8.322
168 H CYS 24 H CYS 24 4.427 7.112 -6.134
169 HA CYS 24 HA CYS 24 5.590 9.425 -7.437
170 HB2 CYS 24 1HB CYS 24 3.028 8.099 -8.342
171 HB3 CYS 24 2HB CYS 24 3.325 9.805 -8.608
172 HG CYS 24 HG CYS 24 5.595 9.544 -9.859
173 H GLU 25 H GLU 25 3.764 11.317 -7.113
174 HA GLU 25 HA GLU 25 2.913 10.995 -4.344
175 HB2 GLU 25 1HB GLU 25 3.158 13.414 -4.107
176 HB3 GLU 25 2HB GLU 25 4.644 12.746 -4.752
177 HG2 GLU 25 1HG GLU 25 3.243 13.283 -7.080
178 HG3 GLU 25 2HG GLU 25 2.674 14.572 -6.037
179 H HIS 26 H HIS 26 0.756 11.314 -3.796
180 HA HIS 26 HA HIS 26 -0.975 12.163 -6.003
181 HB2 HIS 26 1HB HIS 26 -0.911 9.646 -5.051
182 HB3 HIS 26 2HB HIS 26 -2.045 10.337 -3.908
183 HD1 HIS 26 1HD HIS 26 -1.883 11.338 -7.578
184 HD2 HIS 26 2HD HIS 26 -4.343 9.181 -4.952
185 HE1 HIS 26 1HE HIS 26 -4.020 10.811 -8.870
186 H THR 27 H THR 27 -1.564 14.232 -5.532
187 HA THR 27 HA THR 27 -1.980 14.946 -2.733
188 HB THR 27 HB THR 27 -1.703 17.189 -3.514
189 HG1 THR 27 1HG THR 27 -2.333 15.930 -6.092
190 HG21 THR 27 1HG2 THR 27 0.297 17.197 -4.784
191 HG22 THR 27 2HG2 THR 27 0.328 15.564 -4.079
192 HG23 THR 27 3HG2 THR 27 -0.207 15.797 -5.760
193 H ARG 28 H ARG 28 -3.759 14.327 -5.740
194 HA ARG 28 HA ARG 28 -6.168 14.802 -4.182
195 HB2 ARG 28 1HB ARG 28 -5.499 15.649 -7.016
196 HB3 ARG 28 2HB ARG 28 -7.168 15.307 -6.606
197 HG2 ARG 28 1HG ARG 28 -7.139 16.991 -4.817
198 HG3 ARG 28 2HG ARG 28 -5.417 17.244 -5.023
199 HD2 ARG 28 1HD ARG 28 -5.710 18.621 -6.834
200 HD3 ARG 28 2HD ARG 28 -6.932 17.586 -7.546
201 HE ARG 28 HE ARG 28 -8.601 18.862 -6.502
202 HH11 ARG 28 2HH2 ARG 28 -5.489 19.578 -5.022
203 HH12 ARG 28 1HH2 ARG 28 -6.097 20.899 -4.082
204 HH21 ARG 28 2HH1 ARG 28 -9.402 20.606 -5.262
205 HH22 ARG 28 1HH1 ARG 28 -8.338 21.488 -4.220
206 HA PRO 29 HA PRO 29 -6.306 10.564 -5.655
207 HB2 PRO 29 1HB PRO 29 -7.566 9.508 -3.472
208 HB3 PRO 29 2HB PRO 29 -5.822 9.598 -3.622
209 HG2 PRO 29 1HG PRO 29 -7.629 11.261 -1.975
210 HG3 PRO 29 2HG PRO 29 -5.897 11.044 -1.827
211 HD2 PRO 29 1HD PRO 29 -7.254 13.312 -2.941
212 HD3 PRO 29 2HD PRO 29 -5.522 13.044 -2.898
213 H LYS 30 H LYS 30 -8.169 8.891 -5.849
214 HA LYS 30 HA LYS 30 -10.165 10.212 -7.282
215 HB2 LYS 30 1HB LYS 30 -9.342 7.524 -6.736
216 HB3 LYS 30 2HB LYS 30 -11.071 7.629 -6.469
217 HG2 LYS 30 1HG LYS 30 -10.815 9.101 -8.794
218 HG3 LYS 30 2HG LYS 30 -9.522 7.936 -8.998
219 HD2 LYS 30 1HD LYS 30 -11.881 6.568 -7.989
220 HD3 LYS 30 2HD LYS 30 -12.329 7.525 -9.387
221 HE2 LYS 30 1HE LYS 30 -11.526 5.791 -10.633
222 HE3 LYS 30 2HE LYS 30 -9.932 6.397 -10.229
223 HZ1 LYS 30 1HZ LYS 30 -11.068 4.775 -8.183
224 HZ2 LYS 30 2HZ LYS 30 -10.866 3.972 -9.591
225 HZ3 LYS 30 3HZ LYS 30 -9.590 4.695 -8.873
226 HA PRO 31 HA PRO 31 -13.243 11.025 -4.354
227 HB2 PRO 31 1HB PRO 31 -15.583 10.057 -5.382
228 HB3 PRO 31 2HB PRO 31 -14.842 11.549 -5.926
229 HG2 PRO 31 1HG PRO 31 -14.921 8.919 -7.274
230 HG3 PRO 31 2HG PRO 31 -14.575 10.494 -7.960
231 HD2 PRO 31 1HD PRO 31 -12.673 8.443 -7.324
232 HD3 PRO 31 2HD PRO 31 -12.318 10.060 -7.901
233 H GLY 32 H GLY 32 -12.401 9.932 -2.558
234 HA2 GLY 32 1HA GLY 32 -13.456 8.684 -0.775
235 HA3 GLY 32 2HA GLY 32 -13.989 7.509 -1.962
236 H GLU 33 H GLU 33 -10.787 8.943 -2.363
237 HA GLU 33 HA GLU 33 -9.666 6.427 -1.400
238 HB2 GLU 33 1HB GLU 33 -9.041 8.116 -3.820
239 HB3 GLU 33 2HB GLU 33 -7.746 7.186 -3.093
240 HG2 GLU 33 1HG GLU 33 -9.196 5.117 -3.256
241 HG3 GLU 33 2HG GLU 33 -10.414 6.070 -4.079
242 H LEU 34 H LEU 34 -7.161 6.740 -0.889
243 HA LEU 34 HA LEU 34 -7.047 9.033 0.905
244 HB2 LEU 34 1HB LEU 34 -6.576 7.174 2.134
245 HB3 LEU 34 2HB LEU 34 -5.816 6.330 0.800
246 HG LEU 34 HG LEU 34 -3.920 8.103 1.058
247 HD11 LEU 34 1HD1 LEU 34 -5.627 9.119 2.973
248 HD12 LEU 34 2HD1 LEU 34 -4.429 8.219 3.935
249 HD13 LEU 34 3HD1 LEU 34 -3.893 9.487 2.807
250 HD21 LEU 34 1HD2 LEU 34 -3.664 6.413 3.404
251 HD22 LEU 34 2HD2 LEU 34 -4.319 5.513 2.015
252 HD23 LEU 34 3HD2 LEU 34 -2.772 6.379 1.864
253 H ALA 35 H ALA 35 -5.050 10.333 1.030
254 HA ALA 35 HA ALA 35 -3.789 10.505 -1.622
255 HB1 ALA 35 1HB ALA 35 -4.025 12.771 -1.545
256 HB2 ALA 35 2HB ALA 35 -5.334 12.393 -0.400
257 HB3 ALA 35 3HB ALA 35 -3.724 12.847 0.207
258 H PHE 36 H PHE 36 -1.494 11.182 -1.630
259 HA PHE 36 HA PHE 36 -0.047 11.172 0.809
260 HB2 PHE 36 1HB PHE 36 1.212 9.034 0.214
261 HB3 PHE 36 2HB PHE 36 -0.471 8.737 0.604
262 HD1 PHE 36 2HD PHE 36 1.737 9.375 -2.333
263 HD2 PHE 36 1HD PHE 36 -1.763 7.484 -0.856
264 HE1 PHE 36 2HE PHE 36 1.430 8.219 -4.540
265 HE2 PHE 36 1HE PHE 36 -2.070 6.327 -3.062
266 HZ PHE 36 HZ PHE 36 -0.469 6.709 -4.878
267 H ARG 37 H ARG 37 2.400 11.224 0.344
268 HA ARG 37 HA ARG 37 2.724 12.566 -2.214
269 HB2 ARG 37 1HB ARG 37 4.181 12.845 0.453
270 HB3 ARG 37 2HB ARG 37 4.838 13.523 -1.023
271 HG2 ARG 37 1HG ARG 37 2.091 14.169 0.150
272 HG3 ARG 37 2HG ARG 37 3.503 15.203 0.244
273 HD2 ARG 37 1HD ARG 37 3.531 15.049 -2.380
274 HD3 ARG 37 2HD ARG 37 1.892 14.449 -2.224
275 HE ARG 37 HE ARG 37 1.194 16.620 -1.736
276 HH11 ARG 37 2HH2 ARG 37 4.635 16.367 -1.046
277 HH12 ARG 37 1HH2 ARG 37 4.814 18.049 -0.672
278 HH21 ARG 37 2HH1 ARG 37 1.429 18.839 -1.243
279 HH22 ARG 37 1HH1 ARG 37 2.978 19.464 -0.785
280 H LYS 38 H LYS 38 5.337 12.495 -2.787
281 HA LYS 38 HA LYS 38 5.819 9.769 -3.382
282 HB2 LYS 38 1HB LYS 38 6.405 11.795 -4.796
283 HB3 LYS 38 2HB LYS 38 7.731 12.095 -3.691
284 HG2 LYS 38 1HG LYS 38 8.467 9.653 -4.124
285 HG3 LYS 38 2HG LYS 38 7.298 9.629 -5.430
286 HD2 LYS 38 1HD LYS 38 8.652 12.003 -5.934
287 HD3 LYS 38 2HD LYS 38 9.930 11.000 -5.276
288 HE2 LYS 38 1HE LYS 38 10.037 10.440 -7.553
289 HE3 LYS 38 2HE LYS 38 9.013 9.159 -6.935
290 HZ1 LYS 38 1HZ LYS 38 7.445 9.862 -8.284
291 HZ2 LYS 38 2HZ LYS 38 7.395 11.321 -7.552
292 HZ3 LYS 38 3HZ LYS 38 8.384 11.082 -8.829
293 H GLY 39 H GLY 39 7.112 8.264 -2.390
294 HA2 GLY 39 1HA GLY 39 8.540 7.366 -0.892
295 HA3 GLY 39 2HA GLY 39 9.161 8.968 -0.544
296 H ASP 40 H ASP 40 5.853 7.491 -0.203
297 HA ASP 40 HA ASP 40 5.891 8.484 2.528
298 HB2 ASP 40 1HB ASP 40 3.798 8.093 0.436
299 HB3 ASP 40 2HB ASP 40 3.297 7.654 2.057
300 H VAL 41 H VAL 41 5.515 6.995 4.265
301 HA VAL 41 HA VAL 41 5.720 4.194 3.508
302 HB VAL 41 HB VAL 41 6.056 5.686 6.114
303 HG11 VAL 41 1HG1 VAL 41 7.016 2.919 6.047
304 HG12 VAL 41 2HG1 VAL 41 6.064 3.773 7.285
305 HG13 VAL 41 3HG1 VAL 41 5.249 3.046 5.879
306 HG21 VAL 41 1HG2 VAL 41 7.819 5.104 3.919
307 HG22 VAL 41 2HG2 VAL 41 8.154 5.992 5.425
308 HG23 VAL 41 3HG2 VAL 41 8.373 4.226 5.366
309 H VAL 42 H VAL 42 4.154 2.647 3.965
310 HA VAL 42 HA VAL 42 1.849 3.452 5.520
311 HB VAL 42 HB VAL 42 0.299 2.766 3.704
312 HG11 VAL 42 1HG1 VAL 42 0.135 4.898 2.837
313 HG12 VAL 42 2HG1 VAL 42 1.166 5.194 4.258
314 HG13 VAL 42 3HG1 VAL 42 1.895 5.074 2.638
315 HG21 VAL 42 1HG2 VAL 42 2.845 2.279 2.314
316 HG22 VAL 42 2HG2 VAL 42 1.220 1.622 2.001
317 HG23 VAL 42 3HG2 VAL 42 1.673 3.220 1.361
318 H THR 43 H THR 43 0.799 1.678 6.470
319 HA THR 43 HA THR 43 2.239 -0.853 6.116
320 HB THR 43 HB THR 43 0.503 0.337 8.338
321 HG1 THR 43 1HG THR 43 2.855 0.913 7.912
322 HG21 THR 43 1HG2 THR 43 1.287 -1.698 9.641
323 HG22 THR 43 2HG2 THR 43 0.118 -2.097 8.359
324 HG23 THR 43 3HG2 THR 43 1.854 -2.403 8.107
325 H ILE 44 H ILE 44 1.325 -2.656 5.297
326 HA ILE 44 HA ILE 44 -1.105 -2.381 3.903
327 HB ILE 44 HB ILE 44 0.539 -4.820 4.586
328 HG12 ILE 44 1HG1 ILE 44 1.600 -2.882 3.264
329 HG13 ILE 44 2HG1 ILE 44 1.723 -4.503 2.611
330 HG21 ILE 44 1HG2 ILE 44 -1.154 -6.010 3.776
331 HG22 ILE 44 2HG2 ILE 44 -2.041 -4.547 3.284
332 HG23 ILE 44 3HG2 ILE 44 -0.827 -5.261 2.195
333 HD11 ILE 44 1HD1 ILE 44 0.535 -3.946 0.759
334 HD12 ILE 44 2HD1 ILE 44 -0.751 -3.190 1.730
335 HD13 ILE 44 3HD1 ILE 44 0.695 -2.253 1.284
336 H LEU 45 H LEU 45 -3.011 -2.080 4.948
337 HA LEU 45 HA LEU 45 -3.452 -3.141 7.543
338 HB2 LEU 45 1HB LEU 45 -5.334 -1.873 5.548
339 HB3 LEU 45 2HB LEU 45 -5.732 -2.244 7.214
340 HG LEU 45 HG LEU 45 -3.374 -0.479 6.620
341 HD11 LEU 45 1HD1 LEU 45 -5.162 0.455 5.257
342 HD12 LEU 45 2HD1 LEU 45 -6.262 0.443 6.657
343 HD13 LEU 45 3HD1 LEU 45 -4.829 1.499 6.660
344 HD21 LEU 45 1HD2 LEU 45 -5.072 0.282 8.833
345 HD22 LEU 45 2HD2 LEU 45 -4.608 -1.432 8.951
346 HD23 LEU 45 3HD2 LEU 45 -3.352 -0.177 8.819
347 H GLU 46 H GLU 46 -4.760 -3.909 4.245
348 HA GLU 46 HA GLU 46 -5.027 -6.635 5.143
349 HB2 GLU 46 1HB GLU 46 -7.308 -4.813 4.612
350 HB3 GLU 46 2HB GLU 46 -7.404 -6.335 3.749
351 HG2 GLU 46 1HG GLU 46 -6.606 -7.185 6.266
352 HG3 GLU 46 2HG GLU 46 -7.601 -5.801 6.670
353 H ALA 47 H ALA 47 -5.533 -8.128 3.222
354 HA ALA 47 HA ALA 47 -4.283 -6.979 0.824
355 HB1 ALA 47 1HB ALA 47 -3.795 -9.365 2.393
356 HB2 ALA 47 2HB ALA 47 -4.244 -9.812 0.729
357 HB3 ALA 47 3HB ALA 47 -2.871 -8.716 1.017
358 H CYS 48 H CYS 48 -5.757 -6.489 -0.720
359 HA CYS 48 HA CYS 48 -7.642 -8.509 -1.472
360 HB2 CYS 48 1HB CYS 48 -8.519 -6.488 0.332
361 HB3 CYS 48 2HB CYS 48 -9.211 -6.108 -1.232
362 HG CYS 48 HG CYS 48 -10.585 -7.755 0.637
363 H GLU 49 H GLU 49 -8.085 -8.304 -3.699
364 HA GLU 49 HA GLU 49 -6.390 -6.880 -5.243
365 HB2 GLU 49 1HB GLU 49 -8.866 -8.402 -5.625
366 HB3 GLU 49 2HB GLU 49 -8.739 -7.100 -6.790
367 HG2 GLU 49 1HG GLU 49 -7.010 -8.101 -7.901
368 HG3 GLU 49 2HG GLU 49 -6.174 -8.513 -6.417
369 H ASN 50 H ASN 50 -9.760 -5.967 -4.260
370 HA ASN 50 HA ASN 50 -10.845 -4.086 -4.348
371 HB2 ASN 50 1HB ASN 50 -8.034 -3.147 -3.672
372 HB3 ASN 50 2HB ASN 50 -9.299 -1.955 -3.893
373 HD21 ASN 50 1HD2 ASN 50 -7.703 -3.078 -1.552
374 HD22 ASN 50 2HD2 ASN 50 -8.878 -3.413 -0.324
375 H LYS 51 H LYS 51 -9.672 -5.145 -6.910
376 HA LYS 51 HA LYS 51 -9.693 -4.553 -9.044
377 HB2 LYS 51 1HB LYS 51 -10.315 -1.708 -8.212
378 HB3 LYS 51 2HB LYS 51 -10.575 -2.440 -9.783
379 HG2 LYS 51 1HG LYS 51 -12.331 -3.855 -8.966
380 HG3 LYS 51 2HG LYS 51 -11.876 -3.603 -7.293
381 HD2 LYS 51 1HD LYS 51 -12.380 -1.000 -8.274
382 HD3 LYS 51 2HD LYS 51 -13.632 -1.984 -9.006
383 HE2 LYS 51 1HE LYS 51 -13.023 -2.274 -6.046
384 HE3 LYS 51 2HE LYS 51 -14.025 -0.949 -6.604
385 HZ1 LYS 51 1HZ LYS 51 -14.531 -3.798 -7.122
386 HZ2 LYS 51 2HZ LYS 51 -15.343 -2.858 -6.061
387 HZ3 LYS 51 3HZ LYS 51 -15.459 -2.568 -7.664
388 H SER 52 H SER 52 -7.318 -4.682 -7.407
389 HA SER 52 HA SER 52 -5.179 -4.461 -7.871
390 HB2 SER 52 1HB SER 52 -6.226 -3.455 -10.239
391 HB3 SER 52 2HB SER 52 -5.271 -2.103 -9.666
392 HG SER 52 HG SER 52 -3.490 -3.758 -9.356
393 H TRP 53 H TRP 53 -6.258 -3.377 -5.617
394 HA TRP 53 HA TRP 53 -4.662 -0.954 -5.292
395 HB2 TRP 53 1HB TRP 53 -7.583 -1.203 -4.561
396 HB3 TRP 53 2HB TRP 53 -6.519 0.038 -3.928
397 HD1 TRP 53 HD TRP 53 -7.610 -1.179 -7.490
398 HE1 TRP 53 1HE TRP 53 -7.863 0.877 -9.125
399 HE3 TRP 53 3HE TRP 53 -6.121 2.341 -4.137
400 HZ2 TRP 53 2HZ TRP 53 -7.421 3.682 -8.838
401 HZ3 TRP 53 3HZ TRP 53 -6.060 4.715 -4.895
402 HH2 TRP 53 HH TRP 53 -6.679 5.407 -7.156
403 H TYR 54 H TYR 54 -4.214 -0.570 -2.921
404 HA TYR 54 HA TYR 54 -4.548 -3.027 -1.347
405 HB2 TYR 54 1HB TYR 54 -2.131 -1.362 -2.158
406 HB3 TYR 54 2HB TYR 54 -2.109 -2.067 -0.554
407 HD1 TYR 54 1HD TYR 54 -2.002 -4.509 -0.250
408 HD2 TYR 54 2HD TYR 54 -1.940 -2.752 -4.150
409 HE1 TYR 54 1HE TYR 54 -1.170 -6.702 -1.233
410 HE2 TYR 54 2HE TYR 54 -1.109 -4.950 -5.120
411 HH TYR 54 HH TYR 54 -1.421 -7.730 -3.804
412 H ARG 55 H ARG 55 -5.418 -2.649 0.632
413 HA ARG 55 HA ARG 55 -5.842 0.056 1.376
414 HB2 ARG 55 1HB ARG 55 -7.558 -1.740 1.732
415 HB3 ARG 55 2HB ARG 55 -6.482 -2.547 2.856
416 HG2 ARG 55 1HG ARG 55 -6.696 -0.852 4.496
417 HG3 ARG 55 2HG ARG 55 -7.195 0.358 3.330
418 HD2 ARG 55 1HD ARG 55 -9.060 -1.921 3.382
419 HD3 ARG 55 2HD ARG 55 -8.894 -1.191 4.966
420 HE ARG 55 HE ARG 55 -9.174 0.964 3.179
421 HH11 ARG 55 2HH2 ARG 55 -11.082 -1.835 4.132
422 HH12 ARG 55 1HH2 ARG 55 -12.602 -1.067 3.814
423 HH21 ARG 55 2HH1 ARG 55 -11.178 1.977 2.760
424 HH22 ARG 55 1HH1 ARG 55 -12.657 1.116 3.028
425 H VAL 56 H VAL 56 -4.146 1.190 2.292
426 HA VAL 56 HA VAL 56 -2.611 -0.219 4.365
427 HB VAL 56 HB VAL 56 -0.656 1.000 3.688
428 HG11 VAL 56 1HG1 VAL 56 -0.110 -0.326 1.910
429 HG12 VAL 56 2HG1 VAL 56 -1.639 -1.113 2.370
430 HG13 VAL 56 3HG1 VAL 56 -1.607 0.050 1.023
431 HG21 VAL 56 1HG2 VAL 56 -1.855 3.069 2.949
432 HG22 VAL 56 2HG2 VAL 56 -0.581 2.531 1.828
433 HG23 VAL 56 3HG2 VAL 56 -2.292 2.225 1.444
434 H LYS 57 H LYS 57 -1.448 1.555 5.818
435 HA LYS 57 HA LYS 57 -3.482 3.601 6.376
436 HB2 LYS 57 1HB LYS 57 -3.437 1.803 8.059
437 HB3 LYS 57 2HB LYS 57 -1.731 2.087 8.337
438 HG2 LYS 57 1HG LYS 57 -2.871 4.648 8.585
439 HG3 LYS 57 2HG LYS 57 -4.062 3.597 9.326
440 HD2 LYS 57 1HD LYS 57 -2.435 2.695 10.884
441 HD3 LYS 57 2HD LYS 57 -1.098 3.417 10.012
442 HE2 LYS 57 1HE LYS 57 -1.274 5.123 11.522
443 HE3 LYS 57 2HE LYS 57 -2.636 5.651 10.555
444 HZ1 LYS 57 1HZ LYS 57 -3.465 3.635 12.300
445 HZ2 LYS 57 2HZ LYS 57 -2.678 4.779 13.159
446 HZ3 LYS 57 3HZ LYS 57 -3.959 5.190 12.233
447 H HIS 58 H HIS 58 -2.820 5.666 6.132
448 HA HIS 58 HA HIS 58 -0.111 6.159 5.452
449 HB2 HIS 58 1HB HIS 58 -2.359 7.314 4.697
450 HB3 HIS 58 2HB HIS 58 -2.078 8.332 6.096
451 HD2 HIS 58 2HD HIS 58 -0.920 8.009 2.452
452 HE1 HIS 58 1HE HIS 58 1.711 10.793 4.305
453 HE2 HIS 58 2HE HIS 58 0.943 9.708 2.085
454 H HIS 59 H HIS 59 1.565 6.547 6.807
455 HA HIS 59 HA HIS 59 1.233 6.512 9.560
456 HB2 HIS 59 1HB HIS 59 3.288 5.891 8.293
457 HB3 HIS 59 2HB HIS 59 3.575 7.589 7.965
458 HD1 HIS 59 1HD HIS 59 4.171 9.132 10.071
459 HD2 HIS 59 2HD HIS 59 4.092 5.003 10.807
460 HE1 HIS 59 1HE HIS 59 5.366 8.780 12.298
461 H THR 60 H THR 60 2.405 9.318 7.559
462 HA THR 60 HA THR 60 2.088 11.214 9.550
463 HB THR 60 HB THR 60 1.989 11.374 6.494
464 HG1 THR 60 1HG THR 60 4.252 12.041 7.045
465 HG21 THR 60 1HG2 THR 60 1.127 13.508 7.267
466 HG22 THR 60 2HG2 THR 60 2.261 13.535 8.639
467 HG23 THR 60 3HG2 THR 60 2.867 13.752 6.980
468 H SER 61 H SER 61 -0.177 10.685 6.760
469 HA SER 61 HA SER 61 -2.113 12.348 7.676
470 HB2 SER 61 1HB SER 61 -1.846 10.288 5.670
471 HB3 SER 61 2HB SER 61 -3.403 10.089 6.450
472 HG SER 61 HG SER 61 -3.511 11.563 4.638
473 H GLY 62 H GLY 62 -2.131 8.715 8.005
474 HA2 GLY 62 1HA GLY 62 -2.554 7.566 9.986
475 HA3 GLY 62 2HA GLY 62 -3.266 9.004 10.690
476 H GLN 63 H GLN 63 -4.191 8.338 7.381
477 HA GLN 63 HA GLN 63 -6.781 7.482 8.393
478 HB2 GLN 63 1HB GLN 63 -6.221 8.514 5.592
479 HB3 GLN 63 2HB GLN 63 -7.760 8.439 6.427
480 HG2 GLN 63 1HG GLN 63 -7.145 10.217 7.941
481 HG3 GLN 63 2HG GLN 63 -5.456 10.125 7.485
482 HE21 GLN 63 1HE2 GLN 63 -4.794 11.684 6.239
483 HE22 GLN 63 2HE2 GLN 63 -5.705 12.539 5.039
484 H GLU 64 H GLU 64 -7.984 6.199 6.359
485 HA GLU 64 HA GLU 64 -6.070 4.190 5.479
486 HB2 GLU 64 1HB GLU 64 -8.814 3.638 6.691
487 HB3 GLU 64 2HB GLU 64 -7.780 2.422 5.967
488 HG2 GLU 64 1HG GLU 64 -6.163 2.571 7.691
489 HG3 GLU 64 2HG GLU 64 -6.667 4.181 8.167
490 H GLY 65 H GLY 65 -6.076 4.190 3.276
491 HA2 GLY 65 1HA GLY 65 -8.659 4.254 1.896
492 HA3 GLY 65 2HA GLY 65 -7.495 5.508 1.514
493 H LEU 66 H LEU 66 -8.437 3.592 -0.401
494 HA LEU 66 HA LEU 66 -6.686 1.412 -0.652
495 HB2 LEU 66 1HB LEU 66 -8.456 2.879 -2.603
496 HB3 LEU 66 2HB LEU 66 -7.514 1.470 -3.048
497 HG LEU 66 HG LEU 66 -9.732 0.740 -2.604
498 HD11 LEU 66 1HD1 LEU 66 -7.748 -0.583 -1.663
499 HD12 LEU 66 2HD1 LEU 66 -8.276 0.003 -0.068
500 HD13 LEU 66 3HD1 LEU 66 -9.375 -0.984 -1.062
501 HD21 LEU 66 1HD2 LEU 66 -9.766 1.689 0.229
502 HD22 LEU 66 2HD2 LEU 66 -10.108 2.861 -1.067
503 HD23 LEU 66 3HD2 LEU 66 -11.108 1.398 -0.903
504 H LEU 67 H LEU 67 -4.956 1.106 -2.249
505 HA LEU 67 HA LEU 67 -3.702 3.611 -3.083
506 HB2 LEU 67 1HB LEU 67 -2.864 2.316 -0.844
507 HB3 LEU 67 2HB LEU 67 -1.869 1.540 -2.060
508 HG LEU 67 HG LEU 67 -2.046 4.543 -1.708
509 HD11 LEU 67 1HD1 LEU 67 0.448 3.872 -0.834
510 HD12 LEU 67 2HD1 LEU 67 -0.952 4.192 0.219
511 HD13 LEU 67 3HD1 LEU 67 -0.522 2.517 -0.206
512 HD21 LEU 67 1HD2 LEU 67 -0.530 2.724 -3.515
513 HD22 LEU 67 2HD2 LEU 67 -1.196 4.348 -3.807
514 HD23 LEU 67 3HD2 LEU 67 0.315 4.159 -2.887
515 H ALA 68 H ALA 68 -2.763 3.519 -5.107
516 HA ALA 68 HA ALA 68 -3.570 1.527 -6.841
517 HB1 ALA 68 1HB ALA 68 -1.443 2.585 -8.131
518 HB2 ALA 68 2HB ALA 68 -2.993 3.442 -7.959
519 HB3 ALA 68 3HB ALA 68 -1.646 3.810 -6.856
520 H ALA 69 H ALA 69 -3.034 -0.596 -6.823
521 HA ALA 69 HA ALA 69 -0.870 -1.617 -5.399
522 HB1 ALA 69 1HB ALA 69 -1.416 -3.713 -6.670
523 HB2 ALA 69 2HB ALA 69 -2.837 -2.941 -5.927
524 HB3 ALA 69 3HB ALA 69 -2.538 -2.763 -7.673
525 H GLY 70 H GLY 70 -1.065 -0.043 -8.502
526 HA2 GLY 70 1HA GLY 70 1.532 -1.165 -9.324
527 HA3 GLY 70 2HA GLY 70 0.378 -0.340 -10.353
528 H ALA 71 H ALA 71 1.377 0.711 -7.056
529 HA ALA 71 HA ALA 71 3.150 2.710 -8.134
530 HB1 ALA 71 1HB ALA 71 0.345 3.278 -7.584
531 HB2 ALA 71 2HB ALA 71 1.413 4.244 -6.538
532 HB3 ALA 71 3HB ALA 71 1.592 4.323 -8.307
533 H LEU 72 H LEU 72 3.115 0.301 -6.308
534 HA LEU 72 HA LEU 72 4.057 1.704 -3.906
535 HB2 LEU 72 1HB LEU 72 2.666 -0.975 -4.041
536 HB3 LEU 72 2HB LEU 72 3.341 -0.242 -2.600
537 HG LEU 72 HG LEU 72 1.210 1.177 -4.189
538 HD11 LEU 72 1HD1 LEU 72 0.802 -1.356 -3.172
539 HD12 LEU 72 2HD1 LEU 72 0.216 -0.296 -1.868
540 HD13 LEU 72 3HD1 LEU 72 -0.455 -0.141 -3.509
541 HD21 LEU 72 1HD2 LEU 72 0.745 1.813 -1.629
542 HD22 LEU 72 2HD2 LEU 72 2.486 1.461 -1.519
543 HD23 LEU 72 3HD2 LEU 72 1.899 2.698 -2.656
544 H ARG 73 H ARG 73 6.004 0.944 -2.978
545 HA ARG 73 HA ARG 73 7.304 -1.163 -4.484
546 HB2 ARG 73 1HB ARG 73 9.436 0.173 -4.499
547 HB3 ARG 73 2HB ARG 73 8.169 0.928 -5.445
548 HG2 ARG 73 1HG ARG 73 8.429 2.809 -4.209
549 HG3 ARG 73 2HG ARG 73 7.807 1.940 -2.820
550 HD2 ARG 73 1HD ARG 73 9.936 1.506 -1.950
551 HD3 ARG 73 2HD ARG 73 10.703 1.502 -3.526
552 HE ARG 73 HE ARG 73 9.732 4.135 -3.080
553 HH11 ARG 73 2HH2 ARG 73 12.128 1.943 -1.725
554 HH12 ARG 73 1HH2 ARG 73 13.170 3.214 -1.180
555 HH21 ARG 73 2HH1 ARG 73 11.106 5.813 -2.360
556 HH22 ARG 73 1HH1 ARG 73 12.585 5.431 -1.543
557 H GLU 74 H GLU 74 9.521 -1.735 -3.250
558 HA GLU 74 HA GLU 74 8.735 -2.049 -0.497
559 HB2 GLU 74 1HB GLU 74 9.713 -3.874 -2.151
560 HB3 GLU 74 2HB GLU 74 11.264 -3.199 -1.692
561 HG2 GLU 74 1HG GLU 74 10.170 -3.450 0.788
562 HG3 GLU 74 2HG GLU 74 9.285 -4.726 -0.026
563 H ARG 75 H ARG 75 9.268 -0.384 0.860
564 HA ARG 75 HA ARG 75 10.913 1.622 0.447
565 HB2 ARG 75 1HB ARG 75 9.485 1.278 2.490
566 HB3 ARG 75 2HB ARG 75 10.660 0.138 3.112
567 HG2 ARG 75 1HG ARG 75 12.409 1.969 3.041
568 HG3 ARG 75 2HG ARG 75 11.166 3.095 2.535
569 HD2 ARG 75 1HD ARG 75 9.933 2.792 4.626
570 HD3 ARG 75 2HD ARG 75 10.965 1.460 5.106
571 HE ARG 75 HE ARG 75 12.645 2.989 5.738
572 HH11 ARG 75 2HH2 ARG 75 10.115 4.649 3.942
573 HH12 ARG 75 1HH2 ARG 75 10.706 6.232 4.323
574 HH21 ARG 75 2HH1 ARG 75 13.425 5.078 6.242
575 HH22 ARG 75 1HH1 ARG 75 12.601 6.478 5.640
576 H SER 76 H SER 76 11.933 -1.398 2.222
577 HA SER 76 HA SER 76 14.566 -0.742 2.470
578 HB2 SER 76 1HB SER 76 12.917 -3.164 2.654
579 HB3 SER 76 2HB SER 76 14.531 -3.535 2.084
580 HG SER 76 HG SER 76 15.431 -2.811 3.968
581 H GLY 77 H GLY 77 12.917 -2.617 -0.169
582 HA2 GLY 77 1HA GLY 77 13.590 -3.187 -2.240
583 HA3 GLY 77 2HA GLY 77 14.299 -1.585 -2.292
584 HA PRO 78 HA PRO 78 17.778 -4.433 -2.649
585 HB2 PRO 78 1HB PRO 78 18.995 -3.217 -4.772
586 HB3 PRO 78 2HB PRO 78 17.860 -4.541 -4.948
587 HG2 PRO 78 1HG PRO 78 17.446 -1.662 -5.475
588 HG3 PRO 78 2HG PRO 78 16.499 -3.027 -6.032
589 HD2 PRO 78 1HD PRO 78 15.817 -1.215 -3.916
590 HD3 PRO 78 2HD PRO 78 14.928 -2.647 -4.397
591 H SER 79 H SER 79 20.118 -4.200 -2.323
592 HA SER 79 HA SER 79 20.522 -1.639 -0.988
593 HB2 SER 79 1HB SER 79 20.543 -3.601 0.535
594 HB3 SER 79 2HB SER 79 21.807 -4.349 -0.422
595 HG SER 79 HG SER 79 22.368 -1.722 0.456
596 H SER 80 H SER 80 22.319 -4.339 -2.650
597 HA SER 80 HA SER 80 24.386 -2.483 -3.353
598 HB2 SER 80 1HB SER 80 24.308 -5.222 -2.843
599 HB3 SER 80 2HB SER 80 24.470 -5.171 -4.587
600 HG SER 80 HG SER 80 26.183 -3.331 -3.615
601 H GLY 81 H GLY 81 24.574 -1.451 -5.329
602 HA2 GLY 81 1HA GLY 81 22.488 -2.001 -7.313
603 HA3 GLY 81 2HA GLY 81 23.498 -0.573 -7.201
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -20.771 -21.564 16.154
2 HA2 GLY 1 1HA GLY 1 -18.105 -22.679 15.593
3 HA3 GLY 1 2HA GLY 1 -19.528 -23.676 15.365
4 H SER 2 H SER 2 -17.519 -22.591 13.377
5 HA SER 2 HA SER 2 -19.331 -22.032 11.361
6 HB2 SER 2 1HB SER 2 -18.863 -19.695 10.853
7 HB3 SER 2 2HB SER 2 -19.470 -19.806 12.493
8 HG SER 2 HG SER 2 -17.321 -18.539 11.837
9 H SER 3 H SER 3 -18.127 -21.527 9.243
10 HA SER 3 HA SER 3 -15.981 -23.208 8.999
11 HB2 SER 3 1HB SER 3 -17.571 -21.556 7.305
12 HB3 SER 3 2HB SER 3 -15.906 -21.131 6.961
13 HG SER 3 HG SER 3 -15.820 -23.755 7.070
14 H GLY 4 H GLY 4 -13.693 -22.647 8.310
15 HA2 GLY 4 1HA GLY 4 -12.770 -20.145 9.591
16 HA3 GLY 4 2HA GLY 4 -11.970 -21.685 9.835
17 H SER 5 H SER 5 -10.017 -20.599 8.948
18 HA SER 5 HA SER 5 -10.158 -20.541 6.034
19 HB2 SER 5 1HB SER 5 -9.115 -18.563 7.953
20 HB3 SER 5 2HB SER 5 -7.921 -19.007 6.750
21 HG SER 5 HG SER 5 -10.460 -18.584 5.655
22 H SER 6 H SER 6 -9.488 -22.739 5.799
23 HA SER 6 HA SER 6 -6.842 -23.281 6.899
24 HB2 SER 6 1HB SER 6 -7.463 -25.711 6.622
25 HB3 SER 6 2HB SER 6 -8.452 -24.851 7.786
26 HG SER 6 HG SER 6 -9.884 -26.015 6.506
27 H GLY 7 H GLY 7 -5.886 -22.117 5.035
28 HA2 GLY 7 1HA GLY 7 -5.861 -23.813 2.619
29 HA3 GLY 7 2HA GLY 7 -6.082 -22.079 2.499
30 H ARG 8 H ARG 8 -3.831 -24.051 1.674
31 HA ARG 8 HA ARG 8 -1.707 -22.607 3.046
32 HB2 ARG 8 1HB ARG 8 -2.108 -25.420 2.748
33 HB3 ARG 8 2HB ARG 8 -0.780 -25.020 1.678
34 HG2 ARG 8 1HG ARG 8 0.539 -24.107 3.463
35 HG3 ARG 8 2HG ARG 8 -0.840 -23.988 4.538
36 HD2 ARG 8 1HD ARG 8 -0.520 -26.109 5.296
37 HD3 ARG 8 2HD ARG 8 -0.526 -26.753 3.666
38 HE ARG 8 HE ARG 8 1.969 -25.383 4.432
39 HH11 ARG 8 2HH2 ARG 8 0.243 -28.445 4.266
40 HH12 ARG 8 1HH2 ARG 8 1.683 -29.406 4.321
41 HH21 ARG 8 2HH1 ARG 8 3.869 -26.651 4.505
42 HH22 ARG 8 1HH1 ARG 8 3.759 -28.379 4.458
43 H MET 9 H MET 9 -1.044 -20.980 1.657
44 HA MET 9 HA MET 9 -0.477 -21.813 -1.073
45 HB2 MET 9 1HB MET 9 -2.373 -19.759 -0.102
46 HB3 MET 9 2HB MET 9 -1.191 -19.068 -1.195
47 HG2 MET 9 1HG MET 9 -2.146 -21.631 -2.236
48 HG3 MET 9 2HG MET 9 -3.502 -20.575 -1.894
49 HE1 MET 9 1HE MET 9 -2.492 -17.805 -2.121
50 HE2 MET 9 2HE MET 9 -2.490 -17.320 -3.834
51 HE3 MET 9 3HE MET 9 -3.895 -18.175 -3.153
52 HA PRO 10 HA PRO 10 3.276 -19.760 -0.337
53 HB2 PRO 10 1HB PRO 10 4.163 -19.329 -2.886
54 HB3 PRO 10 2HB PRO 10 4.312 -20.871 -2.067
55 HG2 PRO 10 1HG PRO 10 2.428 -20.081 -4.204
56 HG3 PRO 10 2HG PRO 10 2.881 -21.691 -3.679
57 HD2 PRO 10 1HD PRO 10 0.441 -20.310 -3.071
58 HD3 PRO 10 2HD PRO 10 0.944 -21.870 -2.453
59 H THR 11 H THR 11 4.321 -17.780 -0.070
60 HA THR 11 HA THR 11 2.502 -15.586 -0.486
61 HB THR 11 HB THR 11 3.835 -15.892 1.613
62 HG1 THR 11 1HG THR 11 3.260 -13.735 0.797
63 HG21 THR 11 1HG2 THR 11 5.934 -16.807 0.440
64 HG22 THR 11 2HG2 THR 11 6.239 -15.147 -0.126
65 HG23 THR 11 3HG2 THR 11 6.240 -15.508 1.617
66 H ARG 12 H ARG 12 2.400 -14.261 -2.183
67 HA ARG 12 HA ARG 12 4.718 -14.315 -3.944
68 HB2 ARG 12 1HB ARG 12 1.827 -14.554 -4.442
69 HB3 ARG 12 2HB ARG 12 2.523 -13.256 -5.393
70 HG2 ARG 12 1HG ARG 12 4.256 -14.808 -6.279
71 HG3 ARG 12 2HG ARG 12 3.619 -16.107 -5.291
72 HD2 ARG 12 1HD ARG 12 1.337 -15.629 -6.510
73 HD3 ARG 12 2HD ARG 12 2.307 -14.745 -7.671
74 HE ARG 12 HE ARG 12 3.652 -17.152 -7.457
75 HH11 ARG 12 2HH2 ARG 12 0.304 -16.296 -8.123
76 HH12 ARG 12 1HH2 ARG 12 0.006 -17.697 -9.096
77 HH21 ARG 12 2HH1 ARG 12 3.259 -19.001 -8.741
78 HH22 ARG 12 1HH1 ARG 12 1.698 -19.246 -9.450
79 H ARG 13 H ARG 13 1.834 -12.211 -3.179
80 HA ARG 13 HA ARG 13 3.382 -9.903 -3.788
81 HB2 ARG 13 1HB ARG 13 0.520 -10.503 -3.086
82 HB3 ARG 13 2HB ARG 13 1.083 -8.884 -2.722
83 HG2 ARG 13 1HG ARG 13 0.889 -8.308 -4.904
84 HG3 ARG 13 2HG ARG 13 2.056 -9.538 -5.347
85 HD2 ARG 13 1HD ARG 13 -0.155 -9.834 -6.509
86 HD3 ARG 13 2HD ARG 13 0.297 -11.232 -5.555
87 HE ARG 13 HE ARG 13 -1.803 -9.236 -4.843
88 HH11 ARG 13 2HH2 ARG 13 -0.130 -12.250 -4.135
89 HH12 ARG 13 1HH2 ARG 13 -1.317 -12.790 -2.996
90 HH21 ARG 13 2HH1 ARG 13 -3.370 -9.948 -3.340
91 HH22 ARG 13 1HH1 ARG 13 -3.173 -11.472 -2.541
92 H TRP 14 H TRP 14 2.636 -7.967 -1.955
93 HA TRP 14 HA TRP 14 4.280 -8.602 0.262
94 HB2 TRP 14 1HB TRP 14 2.505 -6.228 -0.326
95 HB3 TRP 14 2HB TRP 14 3.586 -6.339 1.049
96 HD1 TRP 14 HD TRP 14 6.285 -7.264 -0.144
97 HE1 TRP 14 1HE TRP 14 7.691 -5.911 -1.921
98 HE3 TRP 14 3HE TRP 14 2.389 -4.515 -1.911
99 HZ2 TRP 14 2HZ TRP 14 7.031 -3.889 -3.823
100 HZ3 TRP 14 3HZ TRP 14 2.856 -2.874 -3.729
101 HH2 TRP 14 HH TRP 14 5.082 -2.539 -4.682
102 H ALA 15 H ALA 15 3.461 -8.284 2.590
103 HA ALA 15 HA ALA 15 0.812 -9.540 2.817
104 HB1 ALA 15 1HB ALA 15 3.313 -10.448 3.682
105 HB2 ALA 15 2HB ALA 15 2.568 -9.766 5.148
106 HB3 ALA 15 3HB ALA 15 1.726 -11.039 4.231
107 HA PRO 16 HA PRO 16 -0.419 -6.256 5.354
108 HB2 PRO 16 1HB PRO 16 -1.815 -7.406 7.403
109 HB3 PRO 16 2HB PRO 16 -2.479 -7.184 5.796
110 HG2 PRO 16 1HG PRO 16 -1.509 -9.667 7.073
111 HG3 PRO 16 2HG PRO 16 -2.546 -9.486 5.672
112 HD2 PRO 16 1HD PRO 16 0.241 -10.165 5.668
113 HD3 PRO 16 2HD PRO 16 -0.768 -9.870 4.266
114 H GLY 17 H GLY 17 0.708 -4.806 6.473
115 HA2 GLY 17 1HA GLY 17 1.486 -4.247 8.686
116 HA3 GLY 17 2HA GLY 17 2.092 -5.883 8.854
117 H THR 18 H THR 18 2.688 -5.259 5.666
118 HA THR 18 HA THR 18 5.458 -4.612 6.223
119 HB THR 18 HB THR 18 3.861 -5.494 3.770
120 HG1 THR 18 1HG THR 18 4.384 -7.275 5.026
121 HG21 THR 18 1HG2 THR 18 5.701 -5.221 2.413
122 HG22 THR 18 2HG2 THR 18 6.212 -4.004 3.607
123 HG23 THR 18 3HG2 THR 18 6.828 -5.670 3.716
124 H GLN 19 H GLN 19 6.577 -2.790 5.600
125 HA GLN 19 HA GLN 19 4.864 -0.533 5.122
126 HB2 GLN 19 1HB GLN 19 7.816 -0.823 5.797
127 HB3 GLN 19 2HB GLN 19 7.101 0.729 5.409
128 HG2 GLN 19 1HG GLN 19 5.364 0.267 7.249
129 HG3 GLN 19 2HG GLN 19 6.330 -1.121 7.710
130 HE21 GLN 19 1HE2 GLN 19 5.649 1.495 9.013
131 HE22 GLN 19 2HE2 GLN 19 7.156 2.176 9.529
132 H CYS 20 H CYS 20 4.382 0.097 3.068
133 HA CYS 20 HA CYS 20 6.351 -0.556 1.004
134 HB2 CYS 20 1HB CYS 20 3.344 -0.268 0.900
135 HB3 CYS 20 2HB CYS 20 4.324 -0.169 -0.549
136 HG CYS 20 HG CYS 20 3.348 -2.576 -0.384
137 H ILE 21 H ILE 21 6.715 1.135 -0.672
138 HA ILE 21 HA ILE 21 6.150 3.815 0.393
139 HB ILE 21 HB ILE 21 8.509 3.069 -1.322
140 HG12 ILE 21 1HG1 ILE 21 8.809 1.695 0.583
141 HG13 ILE 21 2HG1 ILE 21 9.828 3.100 0.823
142 HG21 ILE 21 1HG2 ILE 21 8.141 5.396 0.575
143 HG22 ILE 21 2HG2 ILE 21 9.418 5.157 -0.641
144 HG23 ILE 21 3HG2 ILE 21 7.743 5.462 -1.159
145 HD11 ILE 21 1HD1 ILE 21 8.818 3.314 2.847
146 HD12 ILE 21 2HD1 ILE 21 7.392 3.893 1.955
147 HD13 ILE 21 3HD1 ILE 21 7.525 2.175 2.401
148 H THR 22 H THR 22 5.752 5.508 -1.203
149 HA THR 22 HA THR 22 4.286 4.428 -3.466
150 HB THR 22 HB THR 22 3.555 6.868 -3.608
151 HG1 THR 22 1HG THR 22 4.652 8.261 -2.239
152 HG21 THR 22 1HG2 THR 22 2.701 6.925 -1.076
153 HG22 THR 22 2HG2 THR 22 2.032 5.726 -2.210
154 HG23 THR 22 3HG2 THR 22 3.302 5.250 -1.057
155 H LYS 23 H LYS 23 4.726 4.752 -5.624
156 HA LYS 23 HA LYS 23 7.489 5.309 -6.182
157 HB2 LYS 23 1HB LYS 23 5.135 4.341 -7.804
158 HB3 LYS 23 2HB LYS 23 6.639 4.807 -8.574
159 HG2 LYS 23 1HG LYS 23 7.752 2.949 -7.822
160 HG3 LYS 23 2HG LYS 23 7.036 3.042 -6.226
161 HD2 LYS 23 1HD LYS 23 5.808 1.225 -6.842
162 HD3 LYS 23 2HD LYS 23 4.841 2.346 -7.780
163 HE2 LYS 23 1HE LYS 23 6.709 1.981 -9.636
164 HE3 LYS 23 2HE LYS 23 7.076 0.530 -8.725
165 HZ1 LYS 23 1HZ LYS 23 4.288 0.921 -9.202
166 HZ2 LYS 23 2HZ LYS 23 5.163 0.719 -10.566
167 HZ3 LYS 23 3HZ LYS 23 5.200 -0.420 -9.396
168 H CYS 24 H CYS 24 4.364 6.961 -6.315
169 HA CYS 24 HA CYS 24 5.798 9.320 -7.248
170 HB2 CYS 24 1HB CYS 24 3.304 8.157 -8.485
171 HB3 CYS 24 2HB CYS 24 3.617 9.880 -8.554
172 HG CYS 24 HG CYS 24 6.345 9.066 -9.187
173 H GLU 25 H GLU 25 3.912 11.244 -7.025
174 HA GLU 25 HA GLU 25 2.977 10.876 -4.294
175 HB2 GLU 25 1HB GLU 25 3.130 13.278 -4.037
176 HB3 GLU 25 2HB GLU 25 4.630 12.722 -4.752
177 HG2 GLU 25 1HG GLU 25 2.874 13.244 -6.941
178 HG3 GLU 25 2HG GLU 25 2.669 14.588 -5.834
179 H HIS 26 H HIS 26 0.812 11.468 -3.707
180 HA HIS 26 HA HIS 26 -0.928 12.035 -5.989
181 HB2 HIS 26 1HB HIS 26 -0.795 9.569 -4.846
182 HB3 HIS 26 2HB HIS 26 -2.031 10.308 -3.847
183 HD1 HIS 26 1HD HIS 26 -1.655 11.074 -7.552
184 HD2 HIS 26 2HD HIS 26 -4.181 8.939 -4.971
185 HE1 HIS 26 1HE HIS 26 -3.666 10.357 -8.950
186 H THR 27 H THR 27 -1.580 14.105 -5.620
187 HA THR 27 HA THR 27 -2.040 14.936 -2.860
188 HB THR 27 HB THR 27 -2.174 17.206 -3.982
189 HG1 THR 27 1HG THR 27 -2.201 17.169 -6.224
190 HG21 THR 27 1HG2 THR 27 0.148 15.521 -3.793
191 HG22 THR 27 2HG2 THR 27 0.228 16.346 -5.368
192 HG23 THR 27 3HG2 THR 27 0.105 17.299 -3.870
193 H ARG 28 H ARG 28 -3.775 14.269 -5.908
194 HA ARG 28 HA ARG 28 -6.209 14.648 -4.360
195 HB2 ARG 28 1HB ARG 28 -5.690 15.361 -7.288
196 HB3 ARG 28 2HB ARG 28 -7.301 15.285 -6.603
197 HG2 ARG 28 1HG ARG 28 -5.406 16.896 -4.983
198 HG3 ARG 28 2HG ARG 28 -5.655 17.530 -6.598
199 HD2 ARG 28 1HD ARG 28 -7.810 18.170 -6.146
200 HD3 ARG 28 2HD ARG 28 -8.181 16.674 -5.312
201 HE ARG 28 HE ARG 28 -6.407 18.149 -3.648
202 HH11 ARG 28 2HH2 ARG 28 -9.682 18.406 -4.908
203 HH12 ARG 28 1HH2 ARG 28 -10.263 19.333 -3.565
204 HH21 ARG 28 2HH1 ARG 28 -7.173 19.372 -1.876
205 HH22 ARG 28 1HH1 ARG 28 -8.826 19.886 -1.829
206 HA PRO 29 HA PRO 29 -6.222 10.420 -5.864
207 HB2 PRO 29 1HB PRO 29 -7.482 9.318 -3.704
208 HB3 PRO 29 2HB PRO 29 -5.740 9.454 -3.830
209 HG2 PRO 29 1HG PRO 29 -7.611 11.058 -2.198
210 HG3 PRO 29 2HG PRO 29 -5.876 10.886 -2.027
211 HD2 PRO 29 1HD PRO 29 -7.276 13.125 -3.146
212 HD3 PRO 29 2HD PRO 29 -5.540 12.902 -3.081
213 H LYS 30 H LYS 30 -8.038 8.700 -6.090
214 HA LYS 30 HA LYS 30 -10.057 9.994 -7.528
215 HB2 LYS 30 1HB LYS 30 -9.151 7.319 -7.037
216 HB3 LYS 30 2HB LYS 30 -10.887 7.364 -6.802
217 HG2 LYS 30 1HG LYS 30 -10.666 8.891 -9.078
218 HG3 LYS 30 2HG LYS 30 -9.295 7.820 -9.290
219 HD2 LYS 30 1HD LYS 30 -11.606 6.293 -8.372
220 HD3 LYS 30 2HD LYS 30 -12.044 7.237 -9.781
221 HE2 LYS 30 1HE LYS 30 -10.468 6.165 -11.169
222 HE3 LYS 30 2HE LYS 30 -9.429 5.722 -9.829
223 HZ1 LYS 30 1HZ LYS 30 -10.977 4.082 -9.166
224 HZ2 LYS 30 2HZ LYS 30 -12.104 4.581 -10.238
225 HZ3 LYS 30 3HZ LYS 30 -10.728 3.878 -10.767
226 HA PRO 31 HA PRO 31 -13.188 10.625 -4.611
227 HB2 PRO 31 1HB PRO 31 -15.485 9.617 -5.695
228 HB3 PRO 31 2HB PRO 31 -14.785 11.147 -6.185
229 HG2 PRO 31 1HG PRO 31 -14.768 8.558 -7.613
230 HG3 PRO 31 2HG PRO 31 -14.464 10.164 -8.246
231 HD2 PRO 31 1HD PRO 31 -12.505 8.154 -7.651
232 HD3 PRO 31 2HD PRO 31 -12.195 9.798 -8.174
233 H GLY 32 H GLY 32 -12.383 9.537 -2.811
234 HA2 GLY 32 1HA GLY 32 -13.434 8.188 -1.100
235 HA3 GLY 32 2HA GLY 32 -13.860 7.019 -2.333
236 H GLU 33 H GLU 33 -10.727 8.631 -2.578
237 HA GLU 33 HA GLU 33 -9.507 6.164 -1.607
238 HB2 GLU 33 1HB GLU 33 -8.905 7.881 -4.014
239 HB3 GLU 33 2HB GLU 33 -7.587 7.012 -3.254
240 HG2 GLU 33 1HG GLU 33 -8.918 4.877 -3.458
241 HG3 GLU 33 2HG GLU 33 -10.177 5.766 -4.291
242 H LEU 34 H LEU 34 -7.024 6.613 -1.053
243 HA LEU 34 HA LEU 34 -7.067 8.933 0.718
244 HB2 LEU 34 1HB LEU 34 -6.595 7.112 2.006
245 HB3 LEU 34 2HB LEU 34 -5.746 6.268 0.725
246 HG LEU 34 HG LEU 34 -3.934 8.128 1.032
247 HD11 LEU 34 1HD1 LEU 34 -4.494 8.255 3.881
248 HD12 LEU 34 2HD1 LEU 34 -4.083 9.552 2.734
249 HD13 LEU 34 3HD1 LEU 34 -5.775 9.029 2.917
250 HD21 LEU 34 1HD2 LEU 34 -2.758 6.441 1.870
251 HD22 LEU 34 2HD2 LEU 34 -3.675 6.477 3.395
252 HD23 LEU 34 3HD2 LEU 34 -4.279 5.529 2.015
253 H ALA 35 H ALA 35 -5.092 10.276 0.900
254 HA ALA 35 HA ALA 35 -3.779 10.467 -1.722
255 HB1 ALA 35 1HB ALA 35 -3.942 12.725 0.269
256 HB2 ALA 35 2HB ALA 35 -3.815 12.789 -1.505
257 HB3 ALA 35 3HB ALA 35 -5.356 12.333 -0.738
258 H PHE 36 H PHE 36 -1.488 11.190 -1.684
259 HA PHE 36 HA PHE 36 -0.068 11.138 0.767
260 HB2 PHE 36 1HB PHE 36 1.237 9.021 0.071
261 HB3 PHE 36 2HB PHE 36 -0.412 8.716 0.578
262 HD1 PHE 36 1HD PHE 36 1.789 9.024 -2.370
263 HD2 PHE 36 2HD PHE 36 -2.008 7.798 -0.925
264 HE1 PHE 36 1HE PHE 36 1.333 7.867 -4.550
265 HE2 PHE 36 2HE PHE 36 -2.464 6.641 -3.105
266 HZ PHE 36 HZ PHE 36 -0.788 6.689 -4.892
267 H ARG 37 H ARG 37 2.448 10.956 0.210
268 HA ARG 37 HA ARG 37 2.762 12.516 -2.225
269 HB2 ARG 37 1HB ARG 37 4.251 12.517 0.430
270 HB3 ARG 37 2HB ARG 37 5.000 13.191 -1.004
271 HG2 ARG 37 1HG ARG 37 2.186 14.062 -0.371
272 HG3 ARG 37 2HG ARG 37 3.469 14.679 0.651
273 HD2 ARG 37 1HD ARG 37 4.587 15.742 -1.189
274 HD3 ARG 37 2HD ARG 37 3.700 14.812 -2.380
275 HE ARG 37 HE ARG 37 1.759 16.238 -0.905
276 HH11 ARG 37 2HH2 ARG 37 4.495 16.988 -2.989
277 HH12 ARG 37 1HH2 ARG 37 3.828 18.488 -3.539
278 HH21 ARG 37 2HH1 ARG 37 0.879 18.218 -1.632
279 HH22 ARG 37 1HH1 ARG 37 1.757 19.193 -2.762
280 H LYS 38 H LYS 38 5.420 12.357 -2.787
281 HA LYS 38 HA LYS 38 5.717 9.580 -3.501
282 HB2 LYS 38 1HB LYS 38 6.085 11.396 -5.138
283 HB3 LYS 38 2HB LYS 38 7.416 12.001 -4.172
284 HG2 LYS 38 1HG LYS 38 8.279 9.467 -4.372
285 HG3 LYS 38 2HG LYS 38 7.245 9.454 -5.787
286 HD2 LYS 38 1HD LYS 38 8.650 11.898 -5.984
287 HD3 LYS 38 2HD LYS 38 9.849 10.761 -5.400
288 HE2 LYS 38 1HE LYS 38 8.058 9.888 -7.669
289 HE3 LYS 38 2HE LYS 38 9.335 11.034 -8.024
290 HZ1 LYS 38 1HZ LYS 38 9.827 8.547 -8.117
291 HZ2 LYS 38 2HZ LYS 38 10.935 9.529 -7.428
292 HZ3 LYS 38 3HZ LYS 38 9.944 8.631 -6.490
293 H GLY 39 H GLY 39 6.622 8.151 -2.129
294 HA2 GLY 39 1HA GLY 39 8.459 7.320 -0.978
295 HA3 GLY 39 2HA GLY 39 9.057 8.946 -0.717
296 H ASP 40 H ASP 40 5.786 7.494 -0.097
297 HA ASP 40 HA ASP 40 6.071 8.468 2.627
298 HB2 ASP 40 1HB ASP 40 3.866 8.304 0.683
299 HB3 ASP 40 2HB ASP 40 3.413 7.597 2.222
300 H VAL 41 H VAL 41 5.673 6.988 4.398
301 HA VAL 41 HA VAL 41 5.857 4.188 3.629
302 HB VAL 41 HB VAL 41 6.279 5.698 6.209
303 HG11 VAL 41 1HG1 VAL 41 5.531 2.959 5.895
304 HG12 VAL 41 2HG1 VAL 41 7.240 3.013 6.390
305 HG13 VAL 41 3HG1 VAL 41 6.001 3.822 7.379
306 HG21 VAL 41 1HG2 VAL 41 8.010 4.711 4.027
307 HG22 VAL 41 2HG2 VAL 41 8.273 6.022 5.202
308 HG23 VAL 41 3HG2 VAL 41 8.584 4.333 5.668
309 H VAL 42 H VAL 42 4.215 2.728 3.888
310 HA VAL 42 HA VAL 42 1.963 3.514 5.563
311 HB VAL 42 HB VAL 42 0.408 2.792 3.745
312 HG11 VAL 42 1HG1 VAL 42 1.940 5.147 2.697
313 HG12 VAL 42 2HG1 VAL 42 0.188 4.934 2.930
314 HG13 VAL 42 3HG1 VAL 42 1.244 5.234 4.332
315 HG21 VAL 42 1HG2 VAL 42 1.341 1.706 2.015
316 HG22 VAL 42 2HG2 VAL 42 1.792 3.320 1.414
317 HG23 VAL 42 3HG2 VAL 42 2.960 2.362 2.357
318 H THR 43 H THR 43 0.820 1.725 6.440
319 HA THR 43 HA THR 43 2.301 -0.792 6.174
320 HB THR 43 HB THR 43 0.428 0.368 8.300
321 HG1 THR 43 1HG THR 43 2.798 1.004 7.947
322 HG21 THR 43 1HG2 THR 43 1.144 -1.618 9.659
323 HG22 THR 43 2HG2 THR 43 0.170 -2.110 8.253
324 HG23 THR 43 3HG2 THR 43 1.940 -2.297 8.219
325 H ILE 44 H ILE 44 1.463 -2.574 5.255
326 HA ILE 44 HA ILE 44 -0.914 -2.331 3.776
327 HB ILE 44 HB ILE 44 0.787 -4.719 4.495
328 HG12 ILE 44 1HG1 ILE 44 2.027 -3.071 3.243
329 HG13 ILE 44 2HG1 ILE 44 1.674 -4.442 2.211
330 HG21 ILE 44 1HG2 ILE 44 -0.855 -4.886 2.072
331 HG22 ILE 44 2HG2 ILE 44 -0.555 -6.089 3.348
332 HG23 ILE 44 3HG2 ILE 44 -1.801 -4.839 3.579
333 HD11 ILE 44 1HD1 ILE 44 -0.533 -2.893 1.709
334 HD12 ILE 44 2HD1 ILE 44 0.684 -1.637 2.044
335 HD13 ILE 44 3HD1 ILE 44 0.964 -2.824 0.748
336 H LEU 45 H LEU 45 -2.855 -2.047 4.765
337 HA LEU 45 HA LEU 45 -3.380 -3.217 7.310
338 HB2 LEU 45 1HB LEU 45 -5.179 -1.789 5.347
339 HB3 LEU 45 2HB LEU 45 -5.622 -2.239 6.982
340 HG LEU 45 HG LEU 45 -3.352 -0.355 6.289
341 HD11 LEU 45 1HD1 LEU 45 -4.729 1.440 6.406
342 HD12 LEU 45 2HD1 LEU 45 -5.920 0.252 5.824
343 HD13 LEU 45 3HD1 LEU 45 -5.842 0.659 7.555
344 HD21 LEU 45 1HD2 LEU 45 -4.348 -1.541 8.804
345 HD22 LEU 45 2HD2 LEU 45 -2.741 -0.901 8.383
346 HD23 LEU 45 3HD2 LEU 45 -4.049 0.213 8.848
347 H GLU 46 H GLU 46 -5.040 -3.607 4.096
348 HA GLU 46 HA GLU 46 -5.152 -6.442 4.665
349 HB2 GLU 46 1HB GLU 46 -7.290 -5.458 5.501
350 HB3 GLU 46 2HB GLU 46 -7.601 -4.785 3.913
351 HG2 GLU 46 1HG GLU 46 -8.456 -6.755 3.183
352 HG3 GLU 46 2HG GLU 46 -6.989 -7.607 3.622
353 H ALA 47 H ALA 47 -4.501 -7.574 2.882
354 HA ALA 47 HA ALA 47 -4.218 -6.115 0.402
355 HB1 ALA 47 1HB ALA 47 -2.599 -7.850 1.654
356 HB2 ALA 47 2HB ALA 47 -3.526 -9.017 0.680
357 HB3 ALA 47 3HB ALA 47 -2.633 -7.701 -0.120
358 H CYS 48 H CYS 48 -4.949 -7.122 -1.682
359 HA CYS 48 HA CYS 48 -6.360 -8.334 -2.931
360 HB2 CYS 48 1HB CYS 48 -6.563 -9.867 -0.726
361 HB3 CYS 48 2HB CYS 48 -8.177 -9.185 -0.723
362 HG CYS 48 HG CYS 48 -9.115 -10.366 -2.566
363 H GLU 49 H GLU 49 -9.084 -8.296 -3.099
364 HA GLU 49 HA GLU 49 -10.884 -7.076 -3.240
365 HB2 GLU 49 1HB GLU 49 -9.958 -6.341 -0.729
366 HB3 GLU 49 2HB GLU 49 -10.104 -4.787 -1.526
367 HG2 GLU 49 1HG GLU 49 -12.395 -4.887 -1.592
368 HG3 GLU 49 2HG GLU 49 -12.409 -6.582 -2.037
369 H ASN 50 H ASN 50 -11.349 -5.897 -5.052
370 HA ASN 50 HA ASN 50 -11.196 -4.450 -6.660
371 HB2 ASN 50 1HB ASN 50 -9.904 -2.973 -4.409
372 HB3 ASN 50 2HB ASN 50 -9.450 -2.385 -5.996
373 HD21 ASN 50 1HD2 ASN 50 -12.286 -3.410 -4.114
374 HD22 ASN 50 2HD2 ASN 50 -13.400 -2.236 -4.731
375 H LYS 51 H LYS 51 -10.044 -5.459 -8.338
376 HA LYS 51 HA LYS 51 -7.491 -6.425 -8.205
377 HB2 LYS 51 1HB LYS 51 -8.986 -5.373 -10.626
378 HB3 LYS 51 2HB LYS 51 -7.562 -6.393 -10.683
379 HG2 LYS 51 1HG LYS 51 -8.700 -8.256 -9.716
380 HG3 LYS 51 2HG LYS 51 -9.993 -7.258 -9.081
381 HD2 LYS 51 1HD LYS 51 -9.588 -7.286 -12.069
382 HD3 LYS 51 2HD LYS 51 -10.291 -8.712 -11.332
383 HE2 LYS 51 1HE LYS 51 -12.231 -7.484 -11.715
384 HE3 LYS 51 2HE LYS 51 -11.854 -6.926 -10.097
385 HZ1 LYS 51 1HZ LYS 51 -12.056 -5.403 -12.359
386 HZ2 LYS 51 2HZ LYS 51 -11.562 -4.906 -10.884
387 HZ3 LYS 51 3HZ LYS 51 -10.465 -5.396 -11.990
388 H SER 52 H SER 52 -5.499 -5.542 -8.053
389 HA SER 52 HA SER 52 -3.874 -4.104 -8.124
390 HB2 SER 52 1HB SER 52 -5.532 -3.261 -10.415
391 HB3 SER 52 2HB SER 52 -4.574 -1.946 -9.763
392 HG SER 52 HG SER 52 -3.174 -4.374 -10.032
393 H TRP 53 H TRP 53 -4.965 -3.807 -5.841
394 HA TRP 53 HA TRP 53 -4.929 -1.026 -5.278
395 HB2 TRP 53 1HB TRP 53 -7.579 -2.447 -5.299
396 HB3 TRP 53 2HB TRP 53 -7.271 -1.125 -4.191
397 HD1 TRP 53 HD TRP 53 -8.365 -1.740 -7.709
398 HE1 TRP 53 1HE TRP 53 -8.583 0.476 -9.124
399 HE3 TRP 53 3HE TRP 53 -5.925 1.242 -4.390
400 HZ2 TRP 53 2HZ TRP 53 -7.729 3.167 -8.707
401 HZ3 TRP 53 3HZ TRP 53 -5.660 3.652 -4.971
402 HH2 TRP 53 HH TRP 53 -6.516 4.624 -7.044
403 H TYR 54 H TYR 54 -4.203 -0.802 -3.167
404 HA TYR 54 HA TYR 54 -4.459 -3.167 -1.443
405 HB2 TYR 54 1HB TYR 54 -2.103 -1.498 -2.398
406 HB3 TYR 54 2HB TYR 54 -2.042 -2.065 -0.741
407 HD1 TYR 54 1HD TYR 54 -2.046 -3.102 -4.282
408 HD2 TYR 54 2HD TYR 54 -1.699 -4.412 -0.224
409 HE1 TYR 54 1HE TYR 54 -1.156 -5.347 -5.076
410 HE2 TYR 54 2HE TYR 54 -0.810 -6.653 -1.031
411 HH TYR 54 HH TYR 54 -0.935 -7.548 -4.358
412 H ARG 55 H ARG 55 -5.158 -2.729 0.606
413 HA ARG 55 HA ARG 55 -5.653 0.035 1.179
414 HB2 ARG 55 1HB ARG 55 -7.342 -1.865 1.564
415 HB3 ARG 55 2HB ARG 55 -6.329 -2.410 2.886
416 HG2 ARG 55 1HG ARG 55 -7.037 -0.739 4.278
417 HG3 ARG 55 2HG ARG 55 -6.900 0.485 3.032
418 HD2 ARG 55 1HD ARG 55 -9.063 -0.398 2.014
419 HD3 ARG 55 2HD ARG 55 -9.215 -1.478 3.386
420 HE ARG 55 HE ARG 55 -8.807 1.145 4.414
421 HH11 ARG 55 2HH2 ARG 55 -11.234 -0.643 2.599
422 HH12 ARG 55 1HH2 ARG 55 -12.556 0.315 3.175
423 HH21 ARG 55 2HH1 ARG 55 -10.551 2.410 5.175
424 HH22 ARG 55 1HH1 ARG 55 -12.165 2.064 4.651
425 H VAL 56 H VAL 56 -4.038 1.208 2.173
426 HA VAL 56 HA VAL 56 -2.474 -0.194 4.230
427 HB VAL 56 HB VAL 56 -0.547 1.035 3.581
428 HG11 VAL 56 1HG1 VAL 56 -0.081 0.108 1.431
429 HG12 VAL 56 2HG1 VAL 56 -1.204 -1.010 2.241
430 HG13 VAL 56 3HG1 VAL 56 -1.804 0.100 0.985
431 HG21 VAL 56 1HG2 VAL 56 -2.178 2.433 1.439
432 HG22 VAL 56 2HG2 VAL 56 -1.775 3.154 3.016
433 HG23 VAL 56 3HG2 VAL 56 -0.477 2.724 1.876
434 H LYS 57 H LYS 57 -1.305 1.696 5.630
435 HA LYS 57 HA LYS 57 -3.418 3.644 6.239
436 HB2 LYS 57 1HB LYS 57 -3.479 1.899 7.912
437 HB3 LYS 57 2HB LYS 57 -1.748 2.002 8.162
438 HG2 LYS 57 1HG LYS 57 -2.818 4.659 8.470
439 HG3 LYS 57 2HG LYS 57 -3.839 3.575 9.394
440 HD2 LYS 57 1HD LYS 57 -1.922 2.704 10.636
441 HD3 LYS 57 2HD LYS 57 -0.794 3.549 9.594
442 HE2 LYS 57 1HE LYS 57 -0.974 4.873 11.600
443 HE3 LYS 57 2HE LYS 57 -1.855 5.745 10.361
444 HZ1 LYS 57 1HZ LYS 57 -3.247 3.844 12.085
445 HZ2 LYS 57 2HZ LYS 57 -2.954 5.365 12.602
446 HZ3 LYS 57 3HZ LYS 57 -3.858 5.118 11.265
447 H HIS 58 H HIS 58 -2.770 5.720 6.063
448 HA HIS 58 HA HIS 58 -0.057 6.258 5.448
449 HB2 HIS 58 1HB HIS 58 -2.327 7.420 4.723
450 HB3 HIS 58 2HB HIS 58 -2.021 8.413 6.134
451 HD2 HIS 58 2HD HIS 58 -0.843 8.072 2.479
452 HE1 HIS 58 1HE HIS 58 1.718 10.922 4.331
453 HE2 HIS 58 2HE HIS 58 0.997 9.797 2.115
454 H HIS 59 H HIS 59 1.595 6.589 6.846
455 HA HIS 59 HA HIS 59 1.189 6.508 9.597
456 HB2 HIS 59 1HB HIS 59 3.253 5.755 8.722
457 HB3 HIS 59 2HB HIS 59 3.536 7.251 7.854
458 HD1 HIS 59 1HD HIS 59 5.526 8.325 8.914
459 HD2 HIS 59 2HD HIS 59 2.874 6.761 11.763
460 HE1 HIS 59 1HE HIS 59 6.467 8.969 11.196
461 H THR 60 H THR 60 2.253 9.287 7.500
462 HA THR 60 HA THR 60 2.054 11.193 9.544
463 HB THR 60 HB THR 60 2.001 11.316 6.488
464 HG1 THR 60 1HG THR 60 4.231 12.100 7.126
465 HG21 THR 60 1HG2 THR 60 1.046 13.407 7.857
466 HG22 THR 60 2HG2 THR 60 2.759 13.639 8.281
467 HG23 THR 60 3HG2 THR 60 2.253 13.661 6.574
468 H SER 61 H SER 61 -0.217 10.690 6.754
469 HA SER 61 HA SER 61 -2.127 12.387 7.683
470 HB2 SER 61 1HB SER 61 -1.886 10.350 5.647
471 HB3 SER 61 2HB SER 61 -3.452 10.175 6.414
472 HG SER 61 HG SER 61 -2.412 12.682 5.399
473 H GLY 62 H GLY 62 -2.027 8.763 8.066
474 HA2 GLY 62 1HA GLY 62 -2.504 7.619 10.025
475 HA3 GLY 62 2HA GLY 62 -3.278 9.042 10.693
476 H GLN 63 H GLN 63 -4.206 8.570 7.414
477 HA GLN 63 HA GLN 63 -6.757 7.574 8.349
478 HB2 GLN 63 1HB GLN 63 -6.135 8.573 5.549
479 HB3 GLN 63 2HB GLN 63 -7.696 8.486 6.341
480 HG2 GLN 63 1HG GLN 63 -7.134 10.286 7.863
481 HG3 GLN 63 2HG GLN 63 -5.440 10.229 7.417
482 HE21 GLN 63 1HE2 GLN 63 -4.804 11.781 6.149
483 HE22 GLN 63 2HE2 GLN 63 -5.730 12.605 4.938
484 H GLU 64 H GLU 64 -7.881 6.260 6.275
485 HA GLU 64 HA GLU 64 -5.923 4.290 5.427
486 HB2 GLU 64 1HB GLU 64 -8.587 3.669 6.777
487 HB3 GLU 64 2HB GLU 64 -7.598 2.470 5.967
488 HG2 GLU 64 1HG GLU 64 -5.834 2.659 7.559
489 HG3 GLU 64 2HG GLU 64 -6.386 4.220 8.131
490 H GLY 65 H GLY 65 -6.014 4.151 3.231
491 HA2 GLY 65 1HA GLY 65 -8.657 4.281 1.946
492 HA3 GLY 65 2HA GLY 65 -7.390 5.373 1.423
493 H LEU 66 H LEU 66 -8.265 3.806 -0.551
494 HA LEU 66 HA LEU 66 -6.704 1.361 -0.600
495 HB2 LEU 66 1HB LEU 66 -8.744 2.568 -2.467
496 HB3 LEU 66 2HB LEU 66 -7.845 1.110 -2.839
497 HG LEU 66 HG LEU 66 -9.507 1.351 -0.329
498 HD11 LEU 66 1HD1 LEU 66 -11.226 1.687 -1.790
499 HD12 LEU 66 2HD1 LEU 66 -10.399 0.868 -3.136
500 HD13 LEU 66 3HD1 LEU 66 -11.145 -0.090 -1.835
501 HD21 LEU 66 1HD2 LEU 66 -8.528 -1.040 -1.916
502 HD22 LEU 66 2HD2 LEU 66 -7.870 -0.456 -0.368
503 HD23 LEU 66 3HD2 LEU 66 -9.528 -1.098 -0.444
504 H LEU 67 H LEU 67 -4.734 1.168 -1.540
505 HA LEU 67 HA LEU 67 -3.800 3.505 -3.045
506 HB2 LEU 67 1HB LEU 67 -2.706 2.060 -0.882
507 HB3 LEU 67 2HB LEU 67 -1.722 1.671 -2.278
508 HG LEU 67 HG LEU 67 -2.375 4.520 -1.502
509 HD11 LEU 67 1HD1 LEU 67 -0.671 2.651 -0.113
510 HD12 LEU 67 2HD1 LEU 67 0.294 3.978 -0.803
511 HD13 LEU 67 3HD1 LEU 67 -1.069 4.341 0.283
512 HD21 LEU 67 1HD2 LEU 67 -0.633 3.202 -3.525
513 HD22 LEU 67 2HD2 LEU 67 -1.564 4.716 -3.615
514 HD23 LEU 67 3HD2 LEU 67 -0.015 4.674 -2.740
515 H ALA 68 H ALA 68 -2.785 3.235 -5.077
516 HA ALA 68 HA ALA 68 -3.815 1.083 -6.593
517 HB1 ALA 68 1HB ALA 68 -1.772 2.311 -8.066
518 HB2 ALA 68 2HB ALA 68 -3.498 2.744 -8.082
519 HB3 ALA 68 3HB ALA 68 -2.377 3.596 -6.994
520 H ALA 69 H ALA 69 -3.075 -0.975 -6.592
521 HA ALA 69 HA ALA 69 -0.848 -1.853 -5.286
522 HB1 ALA 69 1HB ALA 69 -2.032 -3.085 -7.803
523 HB2 ALA 69 2HB ALA 69 -1.191 -3.925 -6.478
524 HB3 ALA 69 3HB ALA 69 -2.789 -3.192 -6.196
525 H GLY 70 H GLY 70 -1.162 -0.512 -8.587
526 HA2 GLY 70 1HA GLY 70 1.623 -1.134 -9.195
527 HA3 GLY 70 2HA GLY 70 0.427 -0.427 -10.263
528 H ALA 71 H ALA 71 1.187 0.635 -6.900
529 HA ALA 71 HA ALA 71 2.679 2.901 -7.899
530 HB1 ALA 71 1HB ALA 71 0.898 4.215 -6.274
531 HB2 ALA 71 2HB ALA 71 0.797 4.164 -8.051
532 HB3 ALA 71 3HB ALA 71 -0.162 3.028 -7.072
533 H LEU 72 H LEU 72 2.944 0.392 -6.172
534 HA LEU 72 HA LEU 72 3.911 1.810 -3.793
535 HB2 LEU 72 1HB LEU 72 2.564 -0.894 -3.828
536 HB3 LEU 72 2HB LEU 72 3.278 -0.116 -2.430
537 HG LEU 72 HG LEU 72 1.055 1.226 -3.958
538 HD11 LEU 72 1HD1 LEU 72 -0.561 -0.104 -3.180
539 HD12 LEU 72 2HD1 LEU 72 0.732 -1.299 -2.913
540 HD13 LEU 72 3HD1 LEU 72 0.199 -0.250 -1.577
541 HD21 LEU 72 1HD2 LEU 72 0.660 1.912 -1.413
542 HD22 LEU 72 2HD2 LEU 72 2.403 1.562 -1.323
543 HD23 LEU 72 3HD2 LEU 72 1.797 2.778 -2.473
544 H ARG 73 H ARG 73 5.807 0.814 -2.784
545 HA ARG 73 HA ARG 73 7.087 -1.184 -4.417
546 HB2 ARG 73 1HB ARG 73 9.220 0.137 -4.501
547 HB3 ARG 73 2HB ARG 73 7.923 0.924 -5.379
548 HG2 ARG 73 1HG ARG 73 8.197 2.774 -4.102
549 HG3 ARG 73 2HG ARG 73 7.720 1.857 -2.687
550 HD2 ARG 73 1HD ARG 73 9.924 1.465 -2.014
551 HD3 ARG 73 2HD ARG 73 10.548 1.490 -3.651
552 HE ARG 73 HE ARG 73 9.540 4.100 -2.980
553 HH11 ARG 73 2HH2 ARG 73 12.228 1.941 -2.276
554 HH12 ARG 73 1HH2 ARG 73 13.329 3.225 -1.904
555 HH21 ARG 73 2HH1 ARG 73 10.992 5.795 -2.489
556 HH22 ARG 73 1HH1 ARG 73 12.621 5.432 -2.026
557 H GLU 74 H GLU 74 9.340 -1.779 -3.261
558 HA GLU 74 HA GLU 74 8.643 -2.118 -0.488
559 HB2 GLU 74 1HB GLU 74 9.615 -3.894 -2.253
560 HB3 GLU 74 2HB GLU 74 11.152 -3.270 -1.688
561 HG2 GLU 74 1HG GLU 74 10.009 -3.622 0.725
562 HG3 GLU 74 2HG GLU 74 9.038 -4.783 -0.159
563 H ARG 75 H ARG 75 9.281 -0.560 0.938
564 HA ARG 75 HA ARG 75 10.923 1.470 0.460
565 HB2 ARG 75 1HB ARG 75 9.503 1.003 2.550
566 HB3 ARG 75 2HB ARG 75 10.827 0.027 3.154
567 HG2 ARG 75 1HG ARG 75 12.345 2.071 2.864
568 HG3 ARG 75 2HG ARG 75 10.909 3.007 2.503
569 HD2 ARG 75 1HD ARG 75 9.986 2.646 4.704
570 HD3 ARG 75 2HD ARG 75 11.119 1.355 5.054
571 HE ARG 75 HE ARG 75 12.521 3.826 4.472
572 HH11 ARG 75 2HH2 ARG 75 10.719 2.159 6.993
573 HH12 ARG 75 1HH2 ARG 75 11.492 3.011 8.287
574 HH21 ARG 75 2HH1 ARG 75 13.541 4.951 6.179
575 HH22 ARG 75 1HH1 ARG 75 13.109 4.610 7.821
576 H SER 76 H SER 76 13.121 1.779 0.150
577 HA SER 76 HA SER 76 14.878 -0.295 1.177
578 HB2 SER 76 1HB SER 76 14.810 0.813 -1.656
579 HB3 SER 76 2HB SER 76 16.235 0.028 -1.004
580 HG SER 76 HG SER 76 14.689 -1.374 -2.227
581 H GLY 77 H GLY 77 14.728 2.931 -0.505
582 HA2 GLY 77 1HA GLY 77 17.208 3.833 0.570
583 HA3 GLY 77 2HA GLY 77 15.996 4.783 -0.267
584 HA PRO 78 HA PRO 78 15.887 5.593 4.306
585 HB2 PRO 78 1HB PRO 78 17.397 7.861 4.509
586 HB3 PRO 78 2HB PRO 78 18.018 6.262 4.866
587 HG2 PRO 78 1HG PRO 78 18.515 7.957 2.495
588 HG3 PRO 78 2HG PRO 78 19.431 6.578 3.070
589 HD2 PRO 78 1HD PRO 78 17.596 6.621 0.866
590 HD3 PRO 78 2HD PRO 78 18.423 5.219 1.514
591 H SER 79 H SER 79 14.376 6.871 5.342
592 HA SER 79 HA SER 79 13.277 8.869 3.521
593 HB2 SER 79 1HB SER 79 12.007 6.601 4.870
594 HB3 SER 79 2HB SER 79 11.226 8.105 5.313
595 HG SER 79 HG SER 79 11.229 6.746 2.870
596 H SER 80 H SER 80 13.989 10.818 4.354
597 HA SER 80 HA SER 80 14.858 11.338 6.814
598 HB2 SER 80 1HB SER 80 14.235 12.836 4.552
599 HB3 SER 80 2HB SER 80 13.184 13.542 5.763
600 HG SER 80 HG SER 80 15.163 13.687 7.159
601 H GLY 81 H GLY 81 11.441 11.958 5.704
602 HA2 GLY 81 1HA GLY 81 9.545 11.373 6.930
603 HA3 GLY 81 2HA GLY 81 10.500 11.279 8.396
Start of MODEL 20
1 H1 GLY 1 H GLY 1 8.961 -23.197 7.502
2 HA2 GLY 1 1HA GLY 1 9.239 -25.970 7.070
3 HA3 GLY 1 2HA GLY 1 10.644 -25.381 7.935
4 H SER 2 H SER 2 10.152 -26.401 9.927
5 HA SER 2 HA SER 2 7.684 -26.434 11.099
6 HB2 SER 2 1HB SER 2 10.429 -26.356 12.429
7 HB3 SER 2 2HB SER 2 8.948 -26.825 13.240
8 HG SER 2 HG SER 2 9.633 -28.779 12.577
9 H SER 3 H SER 3 6.413 -24.873 12.046
10 HA SER 3 HA SER 3 5.765 -22.984 12.894
11 HB2 SER 3 1HB SER 3 8.628 -22.910 13.916
12 HB3 SER 3 2HB SER 3 7.480 -21.645 14.308
13 HG SER 3 HG SER 3 6.791 -24.403 14.746
14 H GLY 4 H GLY 4 5.402 -22.145 10.714
15 HA2 GLY 4 1HA GLY 4 6.662 -19.662 10.225
16 HA3 GLY 4 2HA GLY 4 7.318 -20.875 9.143
17 H SER 5 H SER 5 6.266 -21.168 7.228
18 HA SER 5 HA SER 5 3.652 -19.986 7.000
19 HB2 SER 5 1HB SER 5 5.672 -21.063 5.002
20 HB3 SER 5 2HB SER 5 4.044 -20.643 4.508
21 HG SER 5 HG SER 5 4.616 -18.499 5.731
22 H SER 6 H SER 6 1.836 -21.218 7.302
23 HA SER 6 HA SER 6 2.151 -24.086 6.960
24 HB2 SER 6 1HB SER 6 0.301 -24.361 8.459
25 HB3 SER 6 2HB SER 6 1.323 -23.128 9.170
26 HG SER 6 HG SER 6 -1.203 -22.845 8.850
27 H GLY 7 H GLY 7 1.561 -24.768 4.928
28 HA2 GLY 7 1HA GLY 7 -0.117 -25.287 3.397
29 HA3 GLY 7 2HA GLY 7 -1.033 -23.879 3.895
30 H ARG 8 H ARG 8 -1.023 -23.881 1.321
31 HA ARG 8 HA ARG 8 1.362 -22.960 0.145
32 HB2 ARG 8 1HB ARG 8 -1.502 -23.342 -0.725
33 HB3 ARG 8 2HB ARG 8 -0.497 -22.301 -1.713
34 HG2 ARG 8 1HG ARG 8 1.191 -24.466 -1.291
35 HG3 ARG 8 2HG ARG 8 -0.376 -25.248 -1.345
36 HD2 ARG 8 1HD ARG 8 -0.243 -25.144 -3.614
37 HD3 ARG 8 2HD ARG 8 -0.493 -23.415 -3.477
38 HE ARG 8 HE ARG 8 1.725 -23.122 -4.115
39 HH11 ARG 8 2HH2 ARG 8 1.418 -26.284 -2.603
40 HH12 ARG 8 1HH2 ARG 8 3.073 -26.717 -2.875
41 HH21 ARG 8 2HH1 ARG 8 3.909 -23.692 -4.475
42 HH22 ARG 8 1HH1 ARG 8 4.499 -25.233 -3.948
43 H MET 9 H MET 9 2.113 -20.853 -0.036
44 HA MET 9 HA MET 9 1.113 -18.846 1.468
45 HB2 MET 9 1HB MET 9 2.577 -17.374 0.095
46 HB3 MET 9 2HB MET 9 3.373 -18.911 0.367
47 HG2 MET 9 1HG MET 9 3.323 -19.474 -1.857
48 HG3 MET 9 2HG MET 9 1.676 -18.912 -2.062
49 HE1 MET 9 1HE MET 9 5.277 -17.356 -1.184
50 HE2 MET 9 2HE MET 9 5.283 -18.379 -2.640
51 HE3 MET 9 3HE MET 9 5.545 -16.624 -2.784
52 HA PRO 10 HA PRO 10 -2.241 -17.161 -0.710
53 HB2 PRO 10 1HB PRO 10 -2.244 -14.571 0.161
54 HB3 PRO 10 2HB PRO 10 -2.893 -15.899 1.102
55 HG2 PRO 10 1HG PRO 10 -0.354 -14.432 1.473
56 HG3 PRO 10 2HG PRO 10 -1.213 -15.447 2.615
57 HD2 PRO 10 1HD PRO 10 1.137 -16.147 1.127
58 HD3 PRO 10 2HD PRO 10 0.211 -17.198 2.180
59 H THR 11 H THR 11 -3.045 -15.373 -2.211
60 HA THR 11 HA THR 11 -0.824 -14.929 -4.075
61 HB THR 11 HB THR 11 -3.873 -14.929 -4.386
62 HG1 THR 11 1HG THR 11 -3.397 -17.044 -4.850
63 HG21 THR 11 1HG2 THR 11 -3.580 -14.561 -6.702
64 HG22 THR 11 2HG2 THR 11 -2.365 -13.453 -6.022
65 HG23 THR 11 3HG2 THR 11 -1.866 -15.039 -6.657
66 H ARG 12 H ARG 12 0.162 -13.174 -2.947
67 HA ARG 12 HA ARG 12 -1.101 -10.725 -3.661
68 HB2 ARG 12 1HB ARG 12 -0.797 -11.601 -0.785
69 HB3 ARG 12 2HB ARG 12 -0.517 -9.912 -1.155
70 HG2 ARG 12 1HG ARG 12 -2.758 -9.575 -1.142
71 HG3 ARG 12 2HG ARG 12 -2.890 -10.591 -2.564
72 HD2 ARG 12 1HD ARG 12 -3.924 -12.216 -1.360
73 HD3 ARG 12 2HD ARG 12 -2.567 -12.311 -0.256
74 HE ARG 12 HE ARG 12 -4.354 -10.013 0.201
75 HH11 ARG 12 2HH2 ARG 12 -3.613 -13.353 1.025
76 HH12 ARG 12 1HH2 ARG 12 -4.459 -13.302 2.536
77 HH21 ARG 12 2HH1 ARG 12 -5.470 -9.945 2.194
78 HH22 ARG 12 1HH1 ARG 12 -5.522 -11.351 3.205
79 H ARG 13 H ARG 13 0.455 -8.961 -3.766
80 HA ARG 13 HA ARG 13 3.115 -9.926 -3.997
81 HB2 ARG 13 1HB ARG 13 1.662 -7.348 -4.607
82 HB3 ARG 13 2HB ARG 13 3.408 -7.281 -4.468
83 HG2 ARG 13 1HG ARG 13 3.594 -8.090 -6.575
84 HG3 ARG 13 2HG ARG 13 2.843 -9.586 -6.056
85 HD2 ARG 13 1HD ARG 13 1.271 -8.985 -7.641
86 HD3 ARG 13 2HD ARG 13 0.595 -8.090 -6.294
87 HE ARG 13 HE ARG 13 2.365 -6.270 -7.322
88 HH11 ARG 13 2HH2 ARG 13 -0.104 -8.262 -8.844
89 HH12 ARG 13 1HH2 ARG 13 -0.410 -7.132 -10.120
90 HH21 ARG 13 2HH1 ARG 13 1.962 -4.779 -9.006
91 HH22 ARG 13 1HH1 ARG 13 0.773 -5.138 -10.213
92 H TRP 14 H TRP 14 1.241 -8.857 -1.412
93 HA TRP 14 HA TRP 14 3.526 -8.509 0.252
94 HB2 TRP 14 1HB TRP 14 1.846 -6.098 -0.429
95 HB3 TRP 14 2HB TRP 14 2.775 -6.218 1.053
96 HD1 TRP 14 HD TRP 14 5.553 -7.254 0.125
97 HE1 TRP 14 1HE TRP 14 7.172 -5.945 -1.496
98 HE3 TRP 14 3HE TRP 14 1.948 -4.358 -1.988
99 HZ2 TRP 14 2HZ TRP 14 6.772 -3.891 -3.437
100 HZ3 TRP 14 3HZ TRP 14 2.646 -2.726 -3.738
101 HH2 TRP 14 HH TRP 14 4.965 -2.467 -4.468
102 H ALA 15 H ALA 15 2.769 -8.261 2.580
103 HA ALA 15 HA ALA 15 0.051 -9.357 2.833
104 HB1 ALA 15 1HB ALA 15 2.597 -10.356 3.685
105 HB2 ALA 15 2HB ALA 15 1.675 -9.896 5.137
106 HB3 ALA 15 3HB ALA 15 0.984 -11.051 3.973
107 HA PRO 16 HA PRO 16 -0.852 -6.152 5.602
108 HB2 PRO 16 1HB PRO 16 -2.165 -7.317 7.697
109 HB3 PRO 16 2HB PRO 16 -2.922 -7.000 6.149
110 HG2 PRO 16 1HG PRO 16 -1.992 -9.575 7.265
111 HG3 PRO 16 2HG PRO 16 -3.110 -9.290 5.945
112 HD2 PRO 16 1HD PRO 16 -0.366 -10.097 5.726
113 HD3 PRO 16 2HD PRO 16 -1.450 -9.700 4.408
114 H GLY 17 H GLY 17 0.813 -4.985 6.351
115 HA2 GLY 17 1HA GLY 17 1.641 -4.504 8.670
116 HA3 GLY 17 2HA GLY 17 2.186 -6.169 8.687
117 H THR 18 H THR 18 2.574 -5.580 5.524
118 HA THR 18 HA THR 18 5.380 -5.004 5.832
119 HB THR 18 HB THR 18 3.520 -5.719 3.516
120 HG1 THR 18 1HG THR 18 4.112 -7.581 4.599
121 HG21 THR 18 1HG2 THR 18 6.009 -4.358 3.274
122 HG22 THR 18 2HG2 THR 18 6.385 -6.081 3.029
123 HG23 THR 18 3HG2 THR 18 5.174 -5.279 2.000
124 H GLN 19 H GLN 19 6.536 -3.229 5.086
125 HA GLN 19 HA GLN 19 4.884 -0.874 4.871
126 HB2 GLN 19 1HB GLN 19 7.868 -1.295 5.303
127 HB3 GLN 19 2HB GLN 19 7.171 0.294 5.056
128 HG2 GLN 19 1HG GLN 19 5.568 -0.238 7.004
129 HG3 GLN 19 2HG GLN 19 6.550 -1.656 7.318
130 HE21 GLN 19 1HE2 GLN 19 6.085 0.622 9.010
131 HE22 GLN 19 2HE2 GLN 19 7.613 1.360 9.356
132 H CYS 20 H CYS 20 4.551 0.238 2.975
133 HA CYS 20 HA CYS 20 6.243 -0.558 0.717
134 HB2 CYS 20 1HB CYS 20 4.224 -0.077 -0.726
135 HB3 CYS 20 2HB CYS 20 4.118 -1.513 0.273
136 HG CYS 20 HG CYS 20 1.817 -0.112 0.120
137 H ILE 21 H ILE 21 6.590 1.209 -0.891
138 HA ILE 21 HA ILE 21 6.211 3.853 0.333
139 HB ILE 21 HB ILE 21 8.518 3.066 -1.434
140 HG12 ILE 21 1HG1 ILE 21 8.757 1.620 0.429
141 HG13 ILE 21 2HG1 ILE 21 9.855 2.960 0.693
142 HG21 ILE 21 1HG2 ILE 21 7.704 5.518 -0.986
143 HG22 ILE 21 2HG2 ILE 21 8.524 5.287 0.577
144 HG23 ILE 21 3HG2 ILE 21 9.437 5.115 -0.940
145 HD11 ILE 21 1HD1 ILE 21 8.882 3.190 2.732
146 HD12 ILE 21 2HD1 ILE 21 7.467 3.845 1.873
147 HD13 ILE 21 3HD1 ILE 21 7.536 2.114 2.285
148 H THR 22 H THR 22 5.632 5.578 -1.066
149 HA THR 22 HA THR 22 4.276 4.656 -3.460
150 HB THR 22 HB THR 22 3.268 6.921 -3.352
151 HG1 THR 22 1HG THR 22 5.335 7.911 -2.626
152 HG21 THR 22 1HG2 THR 22 3.574 5.507 -0.661
153 HG22 THR 22 2HG2 THR 22 2.565 6.960 -0.856
154 HG23 THR 22 3HG2 THR 22 2.170 5.474 -1.754
155 H LYS 23 H LYS 23 5.058 4.739 -5.467
156 HA LYS 23 HA LYS 23 7.658 5.841 -5.871
157 HB2 LYS 23 1HB LYS 23 5.687 4.654 -7.847
158 HB3 LYS 23 2HB LYS 23 7.375 4.999 -8.163
159 HG2 LYS 23 1HG LYS 23 8.102 3.147 -7.023
160 HG3 LYS 23 2HG LYS 23 6.960 3.380 -5.715
161 HD2 LYS 23 1HD LYS 23 6.445 1.292 -6.922
162 HD3 LYS 23 2HD LYS 23 5.132 2.436 -7.115
163 HE2 LYS 23 1HE LYS 23 5.348 2.290 -9.367
164 HE3 LYS 23 2HE LYS 23 6.960 2.966 -9.250
165 HZ1 LYS 23 1HZ LYS 23 7.669 1.000 -9.901
166 HZ2 LYS 23 2HZ LYS 23 7.211 0.369 -8.467
167 HZ3 LYS 23 3HZ LYS 23 6.199 0.306 -9.747
168 H CYS 24 H CYS 24 4.372 6.998 -6.054
169 HA CYS 24 HA CYS 24 5.414 9.459 -7.229
170 HB2 CYS 24 1HB CYS 24 3.160 9.687 -8.417
171 HB3 CYS 24 2HB CYS 24 4.318 8.565 -9.105
172 HG CYS 24 HG CYS 24 1.803 7.643 -9.175
173 H GLU 25 H GLU 25 3.486 11.224 -6.882
174 HA GLU 25 HA GLU 25 2.638 10.818 -4.122
175 HB2 GLU 25 1HB GLU 25 2.752 13.245 -3.849
176 HB3 GLU 25 2HB GLU 25 4.279 12.662 -4.482
177 HG2 GLU 25 1HG GLU 25 2.491 13.260 -6.698
178 HG3 GLU 25 2HG GLU 25 2.553 14.641 -5.621
179 H HIS 26 H HIS 26 0.478 11.378 -3.508
180 HA HIS 26 HA HIS 26 -1.277 12.047 -5.748
181 HB2 HIS 26 1HB HIS 26 -1.132 9.520 -4.792
182 HB3 HIS 26 2HB HIS 26 -2.326 10.176 -3.690
183 HD1 HIS 26 1HD HIS 26 -2.039 11.104 -7.380
184 HD2 HIS 26 2HD HIS 26 -4.582 9.009 -4.784
185 HE1 HIS 26 1HE HIS 26 -4.121 10.521 -8.735
186 H THR 27 H THR 27 -1.959 14.081 -5.261
187 HA THR 27 HA THR 27 -2.373 14.771 -2.459
188 HB THR 27 HB THR 27 -2.676 17.084 -3.555
189 HG1 THR 27 1HG THR 27 -3.128 16.652 -5.706
190 HG21 THR 27 1HG2 THR 27 -0.430 17.244 -3.169
191 HG22 THR 27 2HG2 THR 27 -0.245 15.482 -3.343
192 HG23 THR 27 3HG2 THR 27 -0.152 16.533 -4.777
193 H ARG 28 H ARG 28 -4.205 14.564 -5.562
194 HA ARG 28 HA ARG 28 -6.594 14.710 -3.904
195 HB2 ARG 28 1HB ARG 28 -5.897 15.865 -6.573
196 HB3 ARG 28 2HB ARG 28 -7.506 15.177 -6.472
197 HG2 ARG 28 1HG ARG 28 -8.031 16.583 -4.507
198 HG3 ARG 28 2HG ARG 28 -6.392 17.204 -4.477
199 HD2 ARG 28 1HD ARG 28 -6.919 18.801 -6.003
200 HD3 ARG 28 2HD ARG 28 -7.458 17.586 -7.145
201 HE ARG 28 HE ARG 28 -9.681 17.993 -6.511
202 HH11 ARG 28 2HH2 ARG 28 -7.508 19.410 -4.133
203 HH12 ARG 28 1HH2 ARG 28 -8.770 20.245 -3.289
204 HH21 ARG 28 2HH1 ARG 28 -11.346 19.094 -5.398
205 HH22 ARG 28 1HH1 ARG 28 -10.967 20.063 -4.013
206 HA PRO 29 HA PRO 29 -6.624 10.529 -5.536
207 HB2 PRO 29 1HB PRO 29 -7.811 9.351 -3.375
208 HB3 PRO 29 2HB PRO 29 -6.074 9.503 -3.550
209 HG2 PRO 29 1HG PRO 29 -7.903 11.042 -1.811
210 HG3 PRO 29 2HG PRO 29 -6.162 10.876 -1.699
211 HD2 PRO 29 1HD PRO 29 -7.609 13.140 -2.703
212 HD3 PRO 29 2HD PRO 29 -5.870 12.926 -2.699
213 H LYS 30 H LYS 30 -8.422 8.817 -5.806
214 HA LYS 30 HA LYS 30 -10.501 10.151 -7.112
215 HB2 LYS 30 1HB LYS 30 -9.579 7.442 -6.719
216 HB3 LYS 30 2HB LYS 30 -11.320 7.505 -6.537
217 HG2 LYS 30 1HG LYS 30 -11.461 8.788 -8.715
218 HG3 LYS 30 2HG LYS 30 -9.729 8.599 -8.904
219 HD2 LYS 30 1HD LYS 30 -9.890 6.222 -9.147
220 HD3 LYS 30 2HD LYS 30 -11.508 6.173 -8.474
221 HE2 LYS 30 1HE LYS 30 -10.857 7.614 -11.085
222 HE3 LYS 30 2HE LYS 30 -11.342 5.931 -11.031
223 HZ1 LYS 30 1HZ LYS 30 -12.943 8.059 -9.804
224 HZ2 LYS 30 2HZ LYS 30 -13.155 7.578 -11.350
225 HZ3 LYS 30 3HZ LYS 30 -13.402 6.525 -10.126
226 HA PRO 31 HA PRO 31 -13.532 10.623 -4.066
227 HB2 PRO 31 1HB PRO 31 -15.865 9.707 -5.155
228 HB3 PRO 31 2HB PRO 31 -15.164 11.262 -5.559
229 HG2 PRO 31 1HG PRO 31 -15.205 8.775 -7.158
230 HG3 PRO 31 2HG PRO 31 -14.903 10.417 -7.690
231 HD2 PRO 31 1HD PRO 31 -12.948 8.359 -7.282
232 HD3 PRO 31 2HD PRO 31 -12.637 10.031 -7.701
233 H GLY 32 H GLY 32 -12.721 9.428 -2.348
234 HA2 GLY 32 1HA GLY 32 -13.761 7.966 -0.720
235 HA3 GLY 32 2HA GLY 32 -14.176 6.873 -2.024
236 H GLU 33 H GLU 33 -11.068 8.507 -2.242
237 HA GLU 33 HA GLU 33 -9.814 6.009 -1.404
238 HB2 GLU 33 1HB GLU 33 -9.236 7.882 -3.701
239 HB3 GLU 33 2HB GLU 33 -7.915 6.960 -3.009
240 HG2 GLU 33 1HG GLU 33 -9.209 4.844 -3.367
241 HG3 GLU 33 2HG GLU 33 -10.522 5.768 -4.069
242 H LEU 34 H LEU 34 -7.259 6.549 -0.983
243 HA LEU 34 HA LEU 34 -7.335 8.716 0.983
244 HB2 LEU 34 1HB LEU 34 -6.789 6.853 2.162
245 HB3 LEU 34 2HB LEU 34 -5.994 6.074 0.808
246 HG LEU 34 HG LEU 34 -4.163 7.905 1.130
247 HD11 LEU 34 1HD1 LEU 34 -4.081 9.133 3.023
248 HD12 LEU 34 2HD1 LEU 34 -5.848 8.920 2.971
249 HD13 LEU 34 3HD1 LEU 34 -4.855 7.872 4.013
250 HD21 LEU 34 1HD2 LEU 34 -3.928 6.100 3.420
251 HD22 LEU 34 2HD2 LEU 34 -4.426 5.277 1.922
252 HD23 LEU 34 3HD2 LEU 34 -2.928 6.239 1.953
253 H ALA 35 H ALA 35 -5.325 10.035 1.233
254 HA ALA 35 HA ALA 35 -4.094 10.435 -1.407
255 HB1 ALA 35 1HB ALA 35 -5.648 12.193 0.013
256 HB2 ALA 35 2HB ALA 35 -4.019 12.636 0.577
257 HB3 ALA 35 3HB ALA 35 -4.400 12.674 -1.161
258 H PHE 36 H PHE 36 -1.815 10.925 -1.465
259 HA PHE 36 HA PHE 36 -0.332 10.810 0.983
260 HB2 PHE 36 1HB PHE 36 0.952 8.754 0.123
261 HB3 PHE 36 2HB PHE 36 -0.698 8.406 0.601
262 HD1 PHE 36 1HD PHE 36 1.555 8.848 -2.271
263 HD2 PHE 36 2HD PHE 36 -2.336 7.717 -1.011
264 HE1 PHE 36 1HE PHE 36 1.105 7.869 -4.538
265 HE2 PHE 36 2HE PHE 36 -2.786 6.739 -3.278
266 HZ PHE 36 HZ PHE 36 -1.061 6.827 -5.015
267 H ARG 37 H ARG 37 2.132 10.841 0.448
268 HA ARG 37 HA ARG 37 2.410 12.411 -1.988
269 HB2 ARG 37 1HB ARG 37 3.753 12.594 0.734
270 HB3 ARG 37 2HB ARG 37 4.550 13.263 -0.676
271 HG2 ARG 37 1HG ARG 37 1.671 13.968 0.034
272 HG3 ARG 37 2HG ARG 37 3.032 14.860 0.685
273 HD2 ARG 37 1HD ARG 37 3.604 14.730 -2.065
274 HD3 ARG 37 2HD ARG 37 1.866 14.945 -2.027
275 HE ARG 37 HE ARG 37 2.899 16.784 -0.159
276 HH11 ARG 37 2HH2 ARG 37 3.191 16.192 -3.616
277 HH12 ARG 37 1HH2 ARG 37 3.491 17.853 -4.005
278 HH21 ARG 37 2HH1 ARG 37 3.294 18.976 -0.672
279 HH22 ARG 37 1HH1 ARG 37 3.550 19.447 -2.319
280 H LYS 38 H LYS 38 5.101 12.457 -2.427
281 HA LYS 38 HA LYS 38 5.629 9.787 -3.251
282 HB2 LYS 38 1HB LYS 38 6.209 11.979 -4.452
283 HB3 LYS 38 2HB LYS 38 7.550 12.119 -3.333
284 HG2 LYS 38 1HG LYS 38 8.123 9.654 -4.049
285 HG3 LYS 38 2HG LYS 38 7.051 9.951 -5.403
286 HD2 LYS 38 1HD LYS 38 8.417 11.740 -6.243
287 HD3 LYS 38 2HD LYS 38 9.295 11.892 -4.734
288 HE2 LYS 38 1HE LYS 38 10.653 10.045 -5.164
289 HE3 LYS 38 2HE LYS 38 9.424 9.218 -6.100
290 HZ1 LYS 38 1HZ LYS 38 10.805 11.634 -7.035
291 HZ2 LYS 38 2HZ LYS 38 11.275 10.117 -7.416
292 HZ3 LYS 38 3HZ LYS 38 9.819 10.669 -7.908
293 H GLY 39 H GLY 39 7.381 8.413 -2.593
294 HA2 GLY 39 1HA GLY 39 8.545 7.331 -0.999
295 HA3 GLY 39 2HA GLY 39 9.265 8.895 -0.671
296 H ASP 40 H ASP 40 5.919 7.550 -0.174
297 HA ASP 40 HA ASP 40 6.107 8.564 2.541
298 HB2 ASP 40 1HB ASP 40 3.873 8.073 0.590
299 HB3 ASP 40 2HB ASP 40 3.495 7.846 2.286
300 H VAL 41 H VAL 41 5.884 7.099 4.305
301 HA VAL 41 HA VAL 41 5.991 4.289 3.588
302 HB VAL 41 HB VAL 41 6.439 5.813 6.160
303 HG11 VAL 41 1HG1 VAL 41 7.420 3.545 6.906
304 HG12 VAL 41 2HG1 VAL 41 5.650 3.734 6.913
305 HG13 VAL 41 3HG1 VAL 41 6.445 2.846 5.591
306 HG21 VAL 41 1HG2 VAL 41 8.156 4.939 3.927
307 HG22 VAL 41 2HG2 VAL 41 8.410 6.212 5.145
308 HG23 VAL 41 3HG2 VAL 41 8.775 4.515 5.541
309 H VAL 42 H VAL 42 4.441 2.756 4.150
310 HA VAL 42 HA VAL 42 2.205 3.605 5.779
311 HB VAL 42 HB VAL 42 0.673 2.675 3.905
312 HG11 VAL 42 1HG1 VAL 42 1.359 5.217 4.750
313 HG12 VAL 42 2HG1 VAL 42 1.559 5.316 2.984
314 HG13 VAL 42 3HG1 VAL 42 0.000 4.804 3.677
315 HG21 VAL 42 1HG2 VAL 42 1.448 2.424 1.807
316 HG22 VAL 42 2HG2 VAL 42 2.473 3.876 1.907
317 HG23 VAL 42 3HG2 VAL 42 3.052 2.331 2.575
318 H THR 43 H THR 43 0.740 1.694 6.249
319 HA THR 43 HA THR 43 2.310 -0.796 6.092
320 HB THR 43 HB THR 43 0.582 0.378 8.329
321 HG1 THR 43 1HG THR 43 2.770 1.120 8.289
322 HG21 THR 43 1HG2 THR 43 0.186 -2.000 8.467
323 HG22 THR 43 2HG2 THR 43 1.852 -2.375 7.966
324 HG23 THR 43 3HG2 THR 43 1.542 -1.688 9.578
325 H ILE 44 H ILE 44 1.362 -2.579 5.264
326 HA ILE 44 HA ILE 44 -1.089 -2.239 3.902
327 HB ILE 44 HB ILE 44 0.669 -4.629 4.442
328 HG12 ILE 44 1HG1 ILE 44 1.532 -2.735 3.009
329 HG13 ILE 44 2HG1 ILE 44 1.507 -4.318 2.257
330 HG21 ILE 44 1HG2 ILE 44 -1.129 -4.966 2.207
331 HG22 ILE 44 2HG2 ILE 44 -0.850 -6.019 3.614
332 HG23 ILE 44 3HG2 ILE 44 -2.041 -4.700 3.712
333 HD11 ILE 44 1HD1 ILE 44 -0.985 -2.709 1.907
334 HD12 ILE 44 2HD1 ILE 44 0.466 -2.080 1.090
335 HD13 ILE 44 3HD1 ILE 44 -0.113 -3.726 0.735
336 H LEU 45 H LEU 45 -3.075 -2.208 4.792
337 HA LEU 45 HA LEU 45 -3.424 -3.389 7.410
338 HB2 LEU 45 1HB LEU 45 -5.458 -1.925 5.736
339 HB3 LEU 45 2HB LEU 45 -5.500 -2.228 7.461
340 HG LEU 45 HG LEU 45 -3.236 -0.618 6.330
341 HD11 LEU 45 1HD1 LEU 45 -6.035 0.437 6.808
342 HD12 LEU 45 2HD1 LEU 45 -4.585 1.446 6.594
343 HD13 LEU 45 3HD1 LEU 45 -5.145 0.401 5.267
344 HD21 LEU 45 1HD2 LEU 45 -3.999 -1.414 8.886
345 HD22 LEU 45 2HD2 LEU 45 -2.796 -0.172 8.463
346 HD23 LEU 45 3HD2 LEU 45 -4.482 0.297 8.790
347 H GLU 46 H GLU 46 -5.144 -3.555 4.207
348 HA GLU 46 HA GLU 46 -5.343 -6.398 4.591
349 HB2 GLU 46 1HB GLU 46 -7.511 -4.706 5.293
350 HB3 GLU 46 2HB GLU 46 -7.951 -5.397 3.743
351 HG2 GLU 46 1HG GLU 46 -8.553 -7.288 4.842
352 HG3 GLU 46 2HG GLU 46 -6.855 -7.573 5.165
353 H ALA 47 H ALA 47 -4.954 -7.407 2.656
354 HA ALA 47 HA ALA 47 -4.815 -5.732 0.302
355 HB1 ALA 47 1HB ALA 47 -3.810 -8.416 1.178
356 HB2 ALA 47 2HB ALA 47 -4.026 -8.140 -0.568
357 HB3 ALA 47 3HB ALA 47 -2.949 -7.082 0.375
358 H CYS 48 H CYS 48 -5.676 -6.729 -1.823
359 HA CYS 48 HA CYS 48 -7.356 -7.428 -3.052
360 HB2 CYS 48 1HB CYS 48 -7.702 -9.249 -0.696
361 HB3 CYS 48 2HB CYS 48 -8.988 -9.171 -1.883
362 HG CYS 48 HG CYS 48 -7.843 -10.076 -3.843
363 H GLU 49 H GLU 49 -10.068 -7.717 -2.739
364 HA GLU 49 HA GLU 49 -11.956 -6.790 -2.122
365 HB2 GLU 49 1HB GLU 49 -10.430 -6.321 0.178
366 HB3 GLU 49 2HB GLU 49 -11.017 -4.724 -0.241
367 HG2 GLU 49 1HG GLU 49 -13.020 -5.268 0.668
368 HG3 GLU 49 2HG GLU 49 -13.247 -6.440 -0.614
369 H ASN 50 H ASN 50 -11.039 -6.017 -4.446
370 HA ASN 50 HA ASN 50 -12.119 -3.625 -4.965
371 HB2 ASN 50 1HB ASN 50 -9.525 -3.253 -3.709
372 HB3 ASN 50 2HB ASN 50 -9.405 -2.726 -5.376
373 HD21 ASN 50 1HD2 ASN 50 -9.328 -0.582 -5.070
374 HD22 ASN 50 2HD2 ASN 50 -10.603 0.384 -4.405
375 H LYS 51 H LYS 51 -8.750 -4.818 -5.718
376 HA LYS 51 HA LYS 51 -9.189 -6.418 -7.812
377 HB2 LYS 51 1HB LYS 51 -9.938 -3.693 -8.554
378 HB3 LYS 51 2HB LYS 51 -8.693 -4.341 -9.603
379 HG2 LYS 51 1HG LYS 51 -10.034 -6.208 -10.254
380 HG3 LYS 51 2HG LYS 51 -11.120 -6.022 -8.891
381 HD2 LYS 51 1HD LYS 51 -12.368 -4.382 -9.925
382 HD3 LYS 51 2HD LYS 51 -10.970 -3.643 -10.681
383 HE2 LYS 51 1HE LYS 51 -10.909 -5.360 -12.422
384 HE3 LYS 51 2HE LYS 51 -12.127 -6.314 -11.600
385 HZ1 LYS 51 1HZ LYS 51 -12.451 -3.987 -13.225
386 HZ2 LYS 51 2HZ LYS 51 -13.501 -5.200 -12.922
387 HZ3 LYS 51 3HZ LYS 51 -13.351 -3.966 -11.863
388 H SER 52 H SER 52 -7.351 -3.332 -8.171
389 HA SER 52 HA SER 52 -4.963 -4.891 -7.564
390 HB2 SER 52 1HB SER 52 -5.634 -3.243 -9.959
391 HB3 SER 52 2HB SER 52 -4.025 -2.990 -9.313
392 HG SER 52 HG SER 52 -4.843 -4.998 -10.880
393 H TRP 53 H TRP 53 -6.154 -3.574 -5.501
394 HA TRP 53 HA TRP 53 -4.441 -1.213 -5.189
395 HB2 TRP 53 1HB TRP 53 -7.365 -1.429 -4.457
396 HB3 TRP 53 2HB TRP 53 -6.296 -0.167 -3.878
397 HD1 TRP 53 HD TRP 53 -7.239 -1.540 -7.432
398 HE1 TRP 53 1HE TRP 53 -7.552 0.456 -9.129
399 HE3 TRP 53 3HE TRP 53 -6.118 2.148 -4.116
400 HZ2 TRP 53 2HZ TRP 53 -7.301 3.290 -8.900
401 HZ3 TRP 53 3HZ TRP 53 -6.175 4.502 -4.934
402 HH2 TRP 53 HH TRP 53 -6.741 5.099 -7.235
403 H TYR 54 H TYR 54 -4.105 -0.738 -2.784
404 HA TYR 54 HA TYR 54 -4.429 -3.163 -1.165
405 HB2 TYR 54 1HB TYR 54 -1.995 -1.526 -1.985
406 HB3 TYR 54 2HB TYR 54 -1.998 -2.194 -0.365
407 HD1 TYR 54 2HD TYR 54 -2.000 -4.658 -0.021
408 HD2 TYR 54 1HD TYR 54 -1.686 -2.934 -3.924
409 HE1 TYR 54 2HE TYR 54 -1.164 -6.876 -0.942
410 HE2 TYR 54 1HE TYR 54 -0.851 -5.157 -4.831
411 HH TYR 54 HH TYR 54 -1.116 -8.028 -3.087
412 H ARG 55 H ARG 55 -5.403 -2.702 0.742
413 HA ARG 55 HA ARG 55 -5.812 0.010 1.416
414 HB2 ARG 55 1HB ARG 55 -7.523 -1.774 1.817
415 HB3 ARG 55 2HB ARG 55 -6.452 -2.552 2.965
416 HG2 ARG 55 1HG ARG 55 -6.759 -0.907 4.596
417 HG3 ARG 55 2HG ARG 55 -7.060 0.359 3.423
418 HD2 ARG 55 1HD ARG 55 -9.320 -0.330 3.066
419 HD3 ARG 55 2HD ARG 55 -9.039 -1.926 3.734
420 HE ARG 55 HE ARG 55 -8.482 -0.239 5.865
421 HH11 ARG 55 2HH2 ARG 55 -11.239 -0.641 3.715
422 HH12 ARG 55 1HH2 ARG 55 -12.397 -0.123 4.895
423 HH21 ARG 55 2HH1 ARG 55 -10.009 0.444 7.422
424 HH22 ARG 55 1HH1 ARG 55 -11.693 0.498 7.017
425 H VAL 56 H VAL 56 -4.136 1.188 2.315
426 HA VAL 56 HA VAL 56 -2.634 -0.126 4.471
427 HB VAL 56 HB VAL 56 -0.650 1.001 3.758
428 HG11 VAL 56 1HG1 VAL 56 -2.022 -0.941 2.156
429 HG12 VAL 56 2HG1 VAL 56 -1.080 0.123 1.085
430 HG13 VAL 56 3HG1 VAL 56 -0.273 -0.738 2.417
431 HG21 VAL 56 1HG2 VAL 56 -0.746 2.235 1.472
432 HG22 VAL 56 2HG2 VAL 56 -2.485 2.395 1.815
433 HG23 VAL 56 3HG2 VAL 56 -1.289 3.089 2.936
434 H LYS 57 H LYS 57 -1.511 1.671 5.883
435 HA LYS 57 HA LYS 57 -3.533 3.760 6.298
436 HB2 LYS 57 1HB LYS 57 -3.316 1.955 8.059
437 HB3 LYS 57 2HB LYS 57 -1.702 2.552 8.386
438 HG2 LYS 57 1HG LYS 57 -3.154 4.906 8.437
439 HG3 LYS 57 2HG LYS 57 -4.341 3.768 9.044
440 HD2 LYS 57 1HD LYS 57 -2.711 2.977 10.766
441 HD3 LYS 57 2HD LYS 57 -1.512 4.100 10.153
442 HE2 LYS 57 1HE LYS 57 -3.134 6.001 10.648
443 HE3 LYS 57 2HE LYS 57 -4.204 4.834 11.399
444 HZ1 LYS 57 1HZ LYS 57 -1.456 5.455 12.230
445 HZ2 LYS 57 2HZ LYS 57 -2.828 5.809 13.043
446 HZ3 LYS 57 3HZ LYS 57 -2.354 4.255 12.879
447 H HIS 58 H HIS 58 -2.904 5.860 6.135
448 HA HIS 58 HA HIS 58 -0.202 6.336 5.329
449 HB2 HIS 58 1HB HIS 58 -2.464 7.417 4.516
450 HB3 HIS 58 2HB HIS 58 -2.205 8.508 5.863
451 HD2 HIS 58 2HD HIS 58 -0.446 7.564 2.449
452 HE1 HIS 58 1HE HIS 58 1.119 11.280 3.808
453 HE2 HIS 58 2HE HIS 58 1.102 9.516 1.915
454 H HIS 59 H HIS 59 1.472 6.825 6.654
455 HA HIS 59 HA HIS 59 1.107 6.966 9.415
456 HB2 HIS 59 1HB HIS 59 3.157 6.226 8.118
457 HB3 HIS 59 2HB HIS 59 3.518 7.920 7.854
458 HD1 HIS 59 1HD HIS 59 5.342 5.930 9.525
459 HD2 HIS 59 2HD HIS 59 2.606 8.677 11.127
460 HE1 HIS 59 1HE HIS 59 6.112 6.397 11.913
461 H THR 60 H THR 60 1.871 9.523 6.955
462 HA THR 60 HA THR 60 1.849 11.635 8.821
463 HB THR 60 HB THR 60 1.589 11.387 5.790
464 HG1 THR 60 1HG THR 60 3.594 11.021 7.240
465 HG21 THR 60 1HG2 THR 60 1.485 13.697 5.532
466 HG22 THR 60 2HG2 THR 60 0.578 13.588 7.060
467 HG23 THR 60 3HG2 THR 60 2.309 14.003 7.080
468 H SER 61 H SER 61 -0.642 10.801 6.312
469 HA SER 61 HA SER 61 -2.508 12.545 7.303
470 HB2 SER 61 1HB SER 61 -2.376 10.433 5.332
471 HB3 SER 61 2HB SER 61 -3.877 10.267 6.220
472 HG SER 61 HG SER 61 -4.094 11.693 4.376
473 H GLY 62 H GLY 62 -2.375 8.929 7.757
474 HA2 GLY 62 1HA GLY 62 -2.631 7.871 9.826
475 HA3 GLY 62 2HA GLY 62 -3.432 9.289 10.471
476 H GLN 63 H GLN 63 -4.358 8.302 7.229
477 HA GLN 63 HA GLN 63 -6.830 7.264 8.374
478 HB2 GLN 63 1HB GLN 63 -6.466 8.432 5.585
479 HB3 GLN 63 2HB GLN 63 -7.979 8.067 6.390
480 HG2 GLN 63 1HG GLN 63 -7.772 9.885 7.902
481 HG3 GLN 63 2HG GLN 63 -6.037 10.000 7.684
482 HE21 GLN 63 1HE2 GLN 63 -5.328 11.579 6.480
483 HE22 GLN 63 2HE2 GLN 63 -6.185 12.418 5.230
484 H GLU 64 H GLU 64 -7.995 5.882 6.371
485 HA GLU 64 HA GLU 64 -5.931 4.078 5.393
486 HB2 GLU 64 1HB GLU 64 -8.580 3.179 6.608
487 HB3 GLU 64 2HB GLU 64 -7.319 2.134 5.985
488 HG2 GLU 64 1HG GLU 64 -5.794 2.731 7.747
489 HG3 GLU 64 2HG GLU 64 -6.745 4.129 8.210
490 H GLY 65 H GLY 65 -6.049 3.956 3.197
491 HA2 GLY 65 1HA GLY 65 -8.681 3.837 1.932
492 HA3 GLY 65 2HA GLY 65 -7.642 5.177 1.491
493 H LEU 66 H LEU 66 -8.477 3.244 -0.411
494 HA LEU 66 HA LEU 66 -6.605 1.172 -0.722
495 HB2 LEU 66 1HB LEU 66 -8.498 2.542 -2.628
496 HB3 LEU 66 2HB LEU 66 -7.497 1.179 -3.087
497 HG LEU 66 HG LEU 66 -9.786 0.499 -2.552
498 HD11 LEU 66 1HD1 LEU 66 -9.250 -1.431 -1.372
499 HD12 LEU 66 2HD1 LEU 66 -7.686 -0.922 -2.054
500 HD13 LEU 66 3HD1 LEU 66 -8.059 -0.597 -0.344
501 HD21 LEU 66 1HD2 LEU 66 -10.266 2.280 -0.900
502 HD22 LEU 66 2HD2 LEU 66 -10.711 0.655 -0.327
503 HD23 LEU 66 3HD2 LEU 66 -9.229 1.436 0.275
504 H LEU 67 H LEU 67 -4.811 0.989 -2.189
505 HA LEU 67 HA LEU 67 -3.800 3.540 -3.192
506 HB2 LEU 67 1HB LEU 67 -2.900 2.675 -0.841
507 HB3 LEU 67 2HB LEU 67 -1.874 1.695 -1.869
508 HG LEU 67 HG LEU 67 -2.040 4.717 -1.803
509 HD11 LEU 67 1HD1 LEU 67 -0.447 4.557 -0.270
510 HD12 LEU 67 2HD1 LEU 67 -0.421 2.784 -0.422
511 HD13 LEU 67 3HD1 LEU 67 0.603 3.783 -1.481
512 HD21 LEU 67 1HD2 LEU 67 -1.674 4.417 -4.050
513 HD22 LEU 67 2HD2 LEU 67 -0.004 4.404 -3.433
514 HD23 LEU 67 3HD2 LEU 67 -0.821 2.871 -3.822
515 H ALA 68 H ALA 68 -2.969 3.387 -5.233
516 HA ALA 68 HA ALA 68 -3.485 1.263 -6.833
517 HB1 ALA 68 1HB ALA 68 -1.360 2.295 -8.109
518 HB2 ALA 68 2HB ALA 68 -2.913 3.157 -8.006
519 HB3 ALA 68 3HB ALA 68 -1.587 3.578 -6.896
520 H ALA 69 H ALA 69 -2.787 -0.809 -6.926
521 HA ALA 69 HA ALA 69 -0.685 -1.683 -5.250
522 HB1 ALA 69 1HB ALA 69 -2.638 -3.067 -5.800
523 HB2 ALA 69 2HB ALA 69 -2.183 -3.052 -7.521
524 HB3 ALA 69 3HB ALA 69 -1.142 -3.871 -6.332
525 H GLY 70 H GLY 70 -0.732 -0.099 -8.284
526 HA2 GLY 70 1HA GLY 70 1.817 -1.317 -9.120
527 HA3 GLY 70 2HA GLY 70 0.728 -0.381 -10.123
528 H ALA 71 H ALA 71 0.664 1.218 -7.203
529 HA ALA 71 HA ALA 71 2.862 2.978 -8.046
530 HB1 ALA 71 1HB ALA 71 0.232 3.603 -7.902
531 HB2 ALA 71 2HB ALA 71 0.711 3.957 -6.225
532 HB3 ALA 71 3HB ALA 71 1.528 4.778 -7.577
533 H LEU 72 H LEU 72 2.702 0.444 -6.221
534 HA LEU 72 HA LEU 72 3.808 1.756 -3.836
535 HB2 LEU 72 1HB LEU 72 2.259 -0.808 -4.157
536 HB3 LEU 72 2HB LEU 72 3.235 -0.476 -2.740
537 HG LEU 72 HG LEU 72 1.046 1.395 -3.657
538 HD11 LEU 72 1HD1 LEU 72 -0.373 0.311 -1.897
539 HD12 LEU 72 2HD1 LEU 72 -0.064 -0.692 -3.334
540 HD13 LEU 72 3HD1 LEU 72 0.825 -1.003 -1.824
541 HD21 LEU 72 1HD2 LEU 72 1.166 1.721 -1.009
542 HD22 LEU 72 2HD2 LEU 72 2.843 1.196 -1.293
543 HD23 LEU 72 3HD2 LEU 72 2.202 2.625 -2.140
544 H ARG 73 H ARG 73 5.694 0.723 -2.854
545 HA ARG 73 HA ARG 73 7.009 -1.195 -4.546
546 HB2 ARG 73 1HB ARG 73 9.111 0.128 -4.640
547 HB3 ARG 73 2HB ARG 73 7.799 1.001 -5.407
548 HG2 ARG 73 1HG ARG 73 8.169 2.745 -4.010
549 HG3 ARG 73 2HG ARG 73 7.702 1.738 -2.654
550 HD2 ARG 73 1HD ARG 73 9.887 1.349 -2.008
551 HD3 ARG 73 2HD ARG 73 10.474 1.262 -3.657
552 HE ARG 73 HE ARG 73 10.279 3.673 -1.992
553 HH11 ARG 73 2HH2 ARG 73 10.549 2.431 -5.274
554 HH12 ARG 73 1HH2 ARG 73 11.217 3.898 -5.910
555 HH21 ARG 73 2HH1 ARG 73 11.160 5.608 -2.831
556 HH22 ARG 73 1HH1 ARG 73 11.567 5.716 -4.512
557 H GLU 74 H GLU 74 9.217 -1.868 -3.401
558 HA GLU 74 HA GLU 74 8.524 -2.239 -0.630
559 HB2 GLU 74 1HB GLU 74 9.376 -4.049 -2.363
560 HB3 GLU 74 2HB GLU 74 10.966 -3.431 -1.961
561 HG2 GLU 74 1HG GLU 74 10.093 -3.719 0.554
562 HG3 GLU 74 2HG GLU 74 8.978 -4.852 -0.183
563 H ARG 75 H ARG 75 9.172 -0.654 0.769
564 HA ARG 75 HA ARG 75 10.893 1.306 0.317
565 HB2 ARG 75 1HB ARG 75 9.448 0.944 2.385
566 HB3 ARG 75 2HB ARG 75 10.671 -0.152 2.999
567 HG2 ARG 75 1HG ARG 75 12.365 1.702 2.892
568 HG3 ARG 75 2HG ARG 75 11.120 2.794 2.317
569 HD2 ARG 75 1HD ARG 75 9.848 2.541 4.408
570 HD3 ARG 75 2HD ARG 75 10.936 1.287 4.970
571 HE ARG 75 HE ARG 75 12.531 3.566 4.404
572 HH11 ARG 75 2HH2 ARG 75 9.977 2.633 6.638
573 HH12 ARG 75 1HH2 ARG 75 10.501 3.712 7.888
574 HH21 ARG 75 2HH1 ARG 75 13.223 4.990 6.052
575 HH22 ARG 75 1HH1 ARG 75 12.360 5.062 7.552
576 H SER 76 H SER 76 13.169 1.738 0.706
577 HA SER 76 HA SER 76 14.769 -0.600 1.310
578 HB2 SER 76 1HB SER 76 14.469 0.434 -1.317
579 HB3 SER 76 2HB SER 76 16.039 0.997 -0.780
580 HG SER 76 HG SER 76 15.276 -1.529 -1.543
581 H GLY 77 H GLY 77 14.796 2.941 0.478
582 HA2 GLY 77 1HA GLY 77 15.445 4.566 2.065
583 HA3 GLY 77 2HA GLY 77 16.490 3.395 2.843
584 HA PRO 78 HA PRO 78 18.809 5.862 -0.343
585 HB2 PRO 78 1HB PRO 78 19.938 7.835 1.174
586 HB3 PRO 78 2HB PRO 78 18.488 8.072 0.218
587 HG2 PRO 78 1HG PRO 78 18.746 7.759 3.146
588 HG3 PRO 78 2HG PRO 78 17.404 8.408 2.225
589 HD2 PRO 78 1HD PRO 78 17.560 5.811 3.432
590 HD3 PRO 78 2HD PRO 78 16.269 6.418 2.415
591 H SER 79 H SER 79 21.030 5.718 -0.852
592 HA SER 79 HA SER 79 22.442 4.314 1.280
593 HB2 SER 79 1HB SER 79 22.045 3.629 -1.596
594 HB3 SER 79 2HB SER 79 23.679 3.412 -1.002
595 HG SER 79 HG SER 79 22.152 2.370 0.905
596 H SER 80 H SER 80 24.641 4.905 1.612
597 HA SER 80 HA SER 80 25.336 7.464 1.107
598 HB2 SER 80 1HB SER 80 26.435 5.378 2.499
599 HB3 SER 80 2HB SER 80 27.596 5.511 1.193
600 HG SER 80 HG SER 80 26.740 7.746 2.826
601 H GLY 81 H GLY 81 26.538 4.513 -0.661
602 HA2 GLY 81 1HA GLY 81 27.553 6.236 -2.802
603 HA3 GLY 81 2HA GLY 81 27.896 4.536 -2.553