Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
540776 | 2lqx RC | 18334 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 1.425 -0.278 -2.043
3 HB2 SER 1 HB2 SER 1 3.474 1.325 -2.213
4 HB3 SER 1 HB3 SER 1 1.871 2.013 -1.954
5 HG SER 1 HG SER 1 3.918 1.591 -0.042
6 H GLU 2 H GLU 2 3.806 -0.522 -3.033
7 HA GLU 2 HA GLU 2 5.193 -2.530 -1.379
8 HB2 GLU 2 HB2 GLU 2 5.851 -3.319 -3.866
9 HB3 GLU 2 HB3 GLU 2 4.455 -3.938 -2.995
10 HG2 GLU 2 HG2 GLU 2 3.017 -2.339 -4.127
11 HG3 GLU 2 HG3 GLU 2 4.411 -1.670 -4.974
12 H LYS 3 H LYS 3 5.477 0.075 -3.705
13 HA LYS 3 HA LYS 3 8.330 -0.057 -3.910
14 HB2 LYS 3 HB2 LYS 3 6.225 1.883 -4.793
15 HB3 LYS 3 HB3 LYS 3 7.918 2.358 -4.837
16 HG2 LYS 3 HG2 LYS 3 6.865 -0.119 -6.175
17 HG3 LYS 3 HG3 LYS 3 6.991 1.447 -6.979
18 HD2 LYS 3 HD2 LYS 3 9.338 1.457 -6.822
19 HD3 LYS 3 HD3 LYS 3 9.345 0.164 -5.620
20 HE2 LYS 3 HE2 LYS 3 10.057 -0.717 -7.749
21 HE3 LYS 3 HE3 LYS 3 8.479 -1.386 -7.338
22 HZ1 LYS 3 HZ1 LYS 3 8.837 -0.559 -9.703
23 HZ2 LYS 3 HZ2 LYS 3 8.733 1.002 -9.059
24 HZ3 LYS 3 HZ3 LYS 3 7.425 -0.061 -8.915
25 HA PRO 4 HA PRO 4 9.610 2.267 -0.416
26 HB2 PRO 4 HB2 PRO 4 11.650 3.747 -1.426
27 HB3 PRO 4 HB3 PRO 4 11.769 2.004 -1.156
28 HG2 PRO 4 HG2 PRO 4 11.221 3.494 -3.693
29 HG3 PRO 4 HG3 PRO 4 12.281 2.099 -3.422
30 HD2 PRO 4 HD2 PRO 4 9.804 1.860 -4.490
31 HD3 PRO 4 HD3 PRO 4 10.531 0.600 -3.473
32 H GLN 5 H GLN 5 7.440 3.435 -0.645
33 HA GLN 5 HA GLN 5 7.393 6.033 -1.809
34 HB2 GLN 5 HB2 GLN 5 5.258 6.297 -0.618
35 HB3 GLN 5 HB3 GLN 5 5.338 4.768 -1.483
36 HG2 GLN 5 HG2 GLN 5 4.471 4.053 0.490
37 HG3 GLN 5 HG3 GLN 5 6.190 3.880 0.840
38 HE21 GLN 5 HE21 GLN 5 3.419 6.014 1.231
39 HE22 GLN 5 HE22 GLN 5 3.974 6.771 2.681
40 H GLN 6 H GLN 6 8.830 4.832 0.976
41 HA GLN 6 HA GLN 6 8.460 6.817 2.878
42 HB2 GLN 6 HB2 GLN 6 10.734 4.960 2.268
43 HB3 GLN 6 HB3 GLN 6 10.904 6.176 3.528
44 HG2 GLN 6 HG2 GLN 6 8.531 4.376 3.550
45 HG3 GLN 6 HG3 GLN 6 10.091 3.766 4.100
46 HE21 GLN 6 HE21 GLN 6 7.375 4.694 5.321
47 HE22 GLN 6 HE22 GLN 6 7.880 5.599 6.704
48 H GLU 7 H GLU 7 10.461 6.798 0.009
49 HA GLU 7 HA GLU 7 11.958 9.137 0.694
50 HB2 GLU 7 HB2 GLU 7 11.827 7.253 -1.520
51 HB3 GLU 7 HB3 GLU 7 12.027 8.909 -2.075
52 HG2 GLU 7 HG2 GLU 7 13.788 7.524 -0.066
53 HG3 GLU 7 HG3 GLU 7 14.164 7.754 -1.773
54 H LEU 8 H LEU 8 9.026 8.483 -1.135
55 HA LEU 8 HA LEU 8 8.681 10.955 -2.370
56 HB2 LEU 8 HB2 LEU 8 7.341 8.886 -2.764
57 HB3 LEU 8 HB3 LEU 8 6.495 9.208 -1.252
58 HG LEU 8 HG LEU 8 5.685 11.347 -2.225
59 HD11 LEU 8 HD11 LEU 8 7.532 11.550 -3.892
60 HD12 LEU 8 HD12 LEU 8 5.918 11.801 -4.556
61 HD13 LEU 8 HD13 LEU 8 6.755 10.273 -4.827
62 HD21 LEU 8 HD21 LEU 8 3.854 10.290 -2.953
63 HD22 LEU 8 HD22 LEU 8 4.722 8.806 -2.560
64 HD23 LEU 8 HD23 LEU 8 4.738 9.427 -4.211
65 H GLU 9 H GLU 9 7.565 9.857 0.821
66 HA GLU 9 HA GLU 9 6.148 12.083 1.618
67 HB2 GLU 9 HB2 GLU 9 7.885 10.215 3.231
68 HB3 GLU 9 HB3 GLU 9 6.860 11.442 3.961
69 HG2 GLU 9 HG2 GLU 9 5.617 9.549 2.046
70 HG3 GLU 9 HG3 GLU 9 6.054 8.952 3.646
71 H GLU 10 H GLU 10 9.623 11.595 1.533
72 HA GLU 10 HA GLU 10 10.280 13.952 2.998
73 HB2 GLU 10 HB2 GLU 10 11.977 12.351 1.075
74 HB3 GLU 10 HB3 GLU 10 12.569 13.553 2.213
75 HG2 GLU 10 HG2 GLU 10 11.697 12.148 4.064
76 HG3 GLU 10 HG3 GLU 10 11.281 10.917 2.874
77 H CYS 11 H CYS 11 10.362 13.141 -0.468
78 HA CYS 11 HA CYS 11 11.220 15.592 -1.443
79 HB2 CYS 11 HB2 CYS 11 10.741 13.318 -2.652
80 HB3 CYS 11 HB3 CYS 11 9.149 14.015 -2.930
81 H GLN 12 H GLN 12 7.922 14.492 -0.750
82 HA GLN 12 HA GLN 12 6.632 16.839 -1.664
83 HB2 GLN 12 HB2 GLN 12 5.654 14.874 0.414
84 HB3 GLN 12 HB3 GLN 12 4.666 15.997 -0.512
85 HG2 GLN 12 HG2 GLN 12 6.329 13.913 -1.872
86 HG3 GLN 12 HG3 GLN 12 4.732 13.537 -1.228
87 HE21 GLN 12 HE21 GLN 12 2.912 14.561 -2.125
88 HE22 GLN 12 HE22 GLN 12 2.961 15.259 -3.704
89 H ASN 13 H ASN 13 7.400 15.729 1.637
90 HA ASN 13 HA ASN 13 6.477 17.893 3.063
91 HB2 ASN 13 HB2 ASN 13 8.641 15.893 3.503
92 HB3 ASN 13 HB3 ASN 13 8.596 17.296 4.568
93 HD21 ASN 13 HD21 ASN 13 8.255 15.441 6.099
94 HD22 ASN 13 HD22 ASN 13 6.620 14.982 6.415
95 H VAL 14 H VAL 14 9.489 17.565 1.279
96 HA VAL 14 HA VAL 14 10.692 19.956 2.229
97 HB VAL 14 HB VAL 14 11.198 18.411 -0.318
98 HG11 VAL 14 HG11 VAL 14 13.456 19.613 -0.128
99 HG12 VAL 14 HG12 VAL 14 12.080 20.533 -0.740
100 HG13 VAL 14 HG13 VAL 14 12.612 20.744 0.928
101 HG21 VAL 14 HG21 VAL 14 13.201 18.349 1.804
102 HG22 VAL 14 HG22 VAL 14 11.657 17.637 2.274
103 HG23 VAL 14 HG23 VAL 14 12.513 17.030 0.856
104 H CYS 15 H CYS 15 8.825 19.176 -0.688
105 HA CYS 15 HA CYS 15 9.008 21.639 -1.970
106 HB2 CYS 15 HB2 CYS 15 6.761 19.616 -1.967
107 HB3 CYS 15 HB3 CYS 15 6.846 20.988 -3.068
108 H ARG 16 H ARG 16 6.745 20.530 0.508
109 HA ARG 16 HA ARG 16 5.125 22.865 0.472
110 HB2 ARG 16 HB2 ARG 16 5.498 20.863 2.706
111 HB3 ARG 16 HB3 ARG 16 4.170 22.004 2.543
112 HG2 ARG 16 HG2 ARG 16 3.124 20.777 0.945
113 HG3 ARG 16 HG3 ARG 16 4.632 20.124 0.302
114 HD2 ARG 16 HD2 ARG 16 4.792 18.829 2.502
115 HD3 ARG 16 HD3 ARG 16 3.098 19.259 2.733
116 HE ARG 16 HE ARG 16 3.678 18.029 0.192
117 HH11 ARG 16 HH11 ARG 16 2.805 17.504 3.521
118 HH12 ARG 16 HH12 ARG 16 2.089 15.955 3.225
119 HH21 ARG 16 HH21 ARG 16 2.737 15.991 -0.211
120 HH22 ARG 16 HH22 ARG 16 2.051 15.094 1.102
121 H MET 17 H MET 17 8.179 22.119 1.854
122 HA MET 17 HA MET 17 8.048 24.246 3.828
123 HB2 MET 17 HB2 MET 17 9.855 21.999 3.231
124 HB3 MET 17 HB3 MET 17 10.659 23.456 3.798
125 HG2 MET 17 HG2 MET 17 8.346 22.872 5.407
126 HG3 MET 17 HG3 MET 17 9.434 21.488 5.337
127 HE1 MET 17 HE1 MET 17 9.840 22.654 8.620
128 HE2 MET 17 HE2 MET 17 9.782 21.317 7.472
129 HE3 MET 17 HE3 MET 17 11.335 21.891 8.080
130 H LYS 18 H LYS 18 8.291 24.313 0.637
131 HA LYS 18 HA LYS 18 10.611 25.937 0.225
132 HB2 LYS 18 HB2 LYS 18 8.191 25.417 -1.510
133 HB3 LYS 18 HB3 LYS 18 9.598 26.336 -2.029
134 HG2 LYS 18 HG2 LYS 18 9.546 23.433 -1.234
135 HG3 LYS 18 HG3 LYS 18 9.729 24.081 -2.866
136 HD2 LYS 18 HD2 LYS 18 11.777 25.328 -1.829
137 HD3 LYS 18 HD3 LYS 18 11.674 24.068 -0.596
138 HE2 LYS 18 HE2 LYS 18 11.623 22.432 -2.585
139 HE3 LYS 18 HE3 LYS 18 12.213 23.795 -3.535
140 HZ1 LYS 18 HZ1 LYS 18 13.535 22.562 -1.181
141 HZ2 LYS 18 HZ2 LYS 18 14.070 23.979 -1.933
142 HZ3 LYS 18 HZ3 LYS 18 14.068 22.519 -2.786
143 H ARG 19 H ARG 19 10.649 28.163 -0.350
144 HA ARG 19 HA ARG 19 8.603 29.712 1.049
145 HB2 ARG 19 HB2 ARG 19 11.234 29.929 1.263
146 HB3 ARG 19 HB3 ARG 19 11.035 30.968 -0.142
147 HG2 ARG 19 HG2 ARG 19 10.855 32.526 1.495
148 HG3 ARG 19 HG3 ARG 19 9.160 32.048 1.378
149 HD2 ARG 19 HD2 ARG 19 10.937 30.553 3.240
150 HD3 ARG 19 HD3 ARG 19 10.404 32.169 3.703
151 HE ARG 19 HE ARG 19 8.105 30.943 2.973
152 HH11 ARG 19 HH11 ARG 19 10.679 30.104 5.163
153 HH12 ARG 19 HH12 ARG 19 9.652 29.206 6.232
154 HH21 ARG 19 HH21 ARG 19 6.743 29.765 4.373
155 HH22 ARG 19 HH22 ARG 19 7.414 29.014 5.781
156 H TRP 20 H TRP 20 8.100 28.514 -1.575
157 HA TRP 20 HA TRP 20 7.858 30.915 -3.254
158 HB2 TRP 20 HB2 TRP 20 7.620 27.989 -3.992
159 HB3 TRP 20 HB3 TRP 20 7.435 29.335 -5.114
160 HD1 TRP 20 HD1 TRP 20 9.898 26.892 -4.303
161 HE1 TRP 20 HE1 TRP 20 12.291 27.696 -4.802
162 HE3 TRP 20 HE3 TRP 20 8.998 31.906 -4.726
163 HZ2 TRP 20 HZ2 TRP 20 13.622 30.133 -5.308
164 HZ3 TRP 20 HZ3 TRP 20 10.885 33.406 -5.218
165 HH2 TRP 20 HH2 TRP 20 13.149 32.536 -5.502
166 H SER 21 H SER 21 5.825 30.864 -4.685
167 HA SER 21 HA SER 21 3.568 31.069 -3.009
168 HB2 SER 21 HB2 SER 21 2.305 31.423 -5.124
169 HB3 SER 21 HB3 SER 21 3.757 32.419 -5.022
170 HG SER 21 HG SER 21 4.748 31.144 -6.495
171 H THR 22 H THR 22 1.494 29.927 -3.346
172 HA THR 22 HA THR 22 1.666 27.224 -2.830
173 HB THR 22 HB THR 22 -0.353 28.551 -2.375
174 HG1 THR 22 HG1 THR 22 -1.121 26.470 -4.133
175 HG21 THR 22 HG21 THR 22 -0.142 29.470 -4.914
176 HG22 THR 22 HG22 THR 22 -1.618 29.562 -3.953
177 HG23 THR 22 HG23 THR 22 -1.401 28.252 -5.114
178 H GLU 23 H GLU 23 1.429 28.866 -5.923
179 HA GLU 23 HA GLU 23 0.802 26.656 -7.533
180 HB2 GLU 23 HB2 GLU 23 2.146 29.287 -8.040
181 HB3 GLU 23 HB3 GLU 23 2.088 28.074 -9.311
182 HG2 GLU 23 HG2 GLU 23 -0.426 28.833 -7.906
183 HG3 GLU 23 HG3 GLU 23 0.244 29.908 -9.132
184 H MET 24 H MET 24 3.940 28.016 -6.581
185 HA MET 24 HA MET 24 5.521 26.202 -8.053
186 HB2 MET 24 HB2 MET 24 5.991 28.108 -5.815
187 HB3 MET 24 HB3 MET 24 7.211 26.875 -6.103
188 HG2 MET 24 HG2 MET 24 6.220 28.532 -8.375
189 HG3 MET 24 HG3 MET 24 7.398 29.199 -7.246
190 HE1 MET 24 HE1 MET 24 8.267 29.465 -9.810
191 HE2 MET 24 HE2 MET 24 9.725 29.349 -8.824
192 HE3 MET 24 HE3 MET 24 9.594 28.420 -10.318
193 H VAL 25 H VAL 25 4.216 26.118 -4.779
194 HA VAL 25 HA VAL 25 5.612 23.788 -3.949
195 HB VAL 25 HB VAL 25 3.007 24.904 -2.899
196 HG11 VAL 25 HG11 VAL 25 4.979 23.025 -1.603
197 HG12 VAL 25 HG12 VAL 25 3.499 23.653 -0.876
198 HG13 VAL 25 HG13 VAL 25 3.409 22.565 -2.262
199 HG21 VAL 25 HG21 VAL 25 4.511 25.853 -1.115
200 HG22 VAL 25 HG22 VAL 25 5.875 25.443 -2.154
201 HG23 VAL 25 HG23 VAL 25 4.662 26.598 -2.707
202 H HIS 26 H HIS 26 2.528 24.347 -5.542
203 HA HIS 26 HA HIS 26 1.492 21.735 -5.270
204 HB2 HIS 26 HB2 HIS 26 0.512 24.092 -6.222
205 HB3 HIS 26 HB3 HIS 26 0.763 23.203 -7.722
206 HD1 HIS 26 HD1 HIS 26 -1.646 22.711 -8.272
207 HD2 HIS 26 HD2 HIS 26 -0.595 21.523 -4.432
208 HE1 HIS 26 HE1 HIS 26 -3.598 21.371 -7.425
209 H ARG 27 H ARG 27 3.096 23.297 -8.047
210 HA ARG 27 HA ARG 27 3.196 21.077 -9.715
211 HB2 ARG 27 HB2 ARG 27 5.139 22.229 -10.796
212 HB3 ARG 27 HB3 ARG 27 3.720 23.246 -10.586
213 HG2 ARG 27 HG2 ARG 27 4.784 24.167 -8.522
214 HG3 ARG 27 HG3 ARG 27 6.243 23.271 -8.950
215 HD2 ARG 27 HD2 ARG 27 4.909 25.475 -10.510
216 HD3 ARG 27 HD3 ARG 27 6.496 25.509 -9.743
217 HE ARG 27 HE ARG 27 6.543 23.429 -11.567
218 HH11 ARG 27 HH11 ARG 27 6.120 26.884 -11.620
219 HH12 ARG 27 HH12 ARG 27 6.792 27.073 -13.206
220 HH21 ARG 27 HH21 ARG 27 7.430 23.665 -13.656
221 HH22 ARG 27 HH22 ARG 27 7.536 25.241 -14.363
222 H CYS 28 H CYS 28 5.576 22.193 -7.325
223 HA CYS 28 HA CYS 28 7.581 20.344 -7.763
224 HB2 CYS 28 HB2 CYS 28 7.678 22.287 -6.184
225 HB3 CYS 28 HB3 CYS 28 6.705 21.355 -5.051
226 H GLU 29 H GLU 29 4.854 20.046 -5.485
227 HA GLU 29 HA GLU 29 5.425 17.475 -4.576
228 HB2 GLU 29 HB2 GLU 29 2.813 18.957 -4.846
229 HB3 GLU 29 HB3 GLU 29 2.928 17.370 -4.097
230 HG2 GLU 29 HG2 GLU 29 4.719 18.463 -2.596
231 HG3 GLU 29 HG3 GLU 29 4.022 19.984 -3.151
232 H LYS 30 H LYS 30 3.119 18.433 -7.122
233 HA LYS 30 HA LYS 30 2.367 15.893 -7.942
234 HB2 LYS 30 HB2 LYS 30 2.586 18.488 -9.460
235 HB3 LYS 30 HB3 LYS 30 1.943 17.024 -10.192
236 HG2 LYS 30 HG2 LYS 30 0.282 16.959 -8.285
237 HG3 LYS 30 HG3 LYS 30 0.822 18.592 -7.890
238 HD2 LYS 30 HD2 LYS 30 -1.060 18.908 -9.250
239 HD3 LYS 30 HD3 LYS 30 0.312 19.157 -10.333
240 HE2 LYS 30 HE2 LYS 30 0.083 16.780 -11.050
241 HE3 LYS 30 HE3 LYS 30 -1.386 16.678 -10.081
242 HZ1 LYS 30 HZ1 LYS 30 -2.541 17.978 -11.523
243 HZ2 LYS 30 HZ2 LYS 30 -1.463 17.273 -12.619
244 HZ3 LYS 30 HZ3 LYS 30 -1.181 18.839 -12.044
245 H LYS 31 H LYS 31 5.233 17.747 -8.723
246 HA LYS 31 HA LYS 31 6.118 16.146 -10.887
247 HB2 LYS 31 HB2 LYS 31 7.304 18.234 -9.139
248 HB3 LYS 31 HB3 LYS 31 8.426 17.172 -9.979
249 HG2 LYS 31 HG2 LYS 31 6.911 17.790 -12.050
250 HG3 LYS 31 HG3 LYS 31 6.565 19.213 -11.064
251 HD2 LYS 31 HD2 LYS 31 8.980 19.641 -10.870
252 HD3 LYS 31 HD3 LYS 31 9.299 18.242 -11.897
253 HE2 LYS 31 HE2 LYS 31 7.960 19.328 -13.688
254 HE3 LYS 31 HE3 LYS 31 7.812 20.753 -12.660
255 HZ1 LYS 31 HZ1 LYS 31 10.036 21.251 -12.882
256 HZ2 LYS 31 HZ2 LYS 31 9.672 20.655 -14.422
257 HZ3 LYS 31 HZ3 LYS 31 10.475 19.672 -13.304
258 H CYS 32 H CYS 32 7.073 16.220 -7.455
259 HA CYS 32 HA CYS 32 8.876 14.083 -7.558
260 HB2 CYS 32 HB2 CYS 32 7.221 15.248 -5.327
261 HB3 CYS 32 HB3 CYS 32 8.304 13.886 -5.058
262 H GLU 33 H GLU 33 5.416 14.144 -7.506
263 HA GLU 33 HA GLU 33 5.057 11.443 -6.626
264 HB2 GLU 33 HB2 GLU 33 3.305 13.592 -7.719
265 HB3 GLU 33 HB3 GLU 33 2.726 11.934 -7.811
266 HG2 GLU 33 HG2 GLU 33 3.747 13.034 -5.229
267 HG3 GLU 33 HG3 GLU 33 2.108 13.390 -5.770
268 H GLU 34 H GLU 34 5.041 13.074 -9.775
269 HA GLU 34 HA GLU 34 4.509 10.675 -11.242
270 HB2 GLU 34 HB2 GLU 34 5.047 12.064 -13.230
271 HB3 GLU 34 HB3 GLU 34 3.839 12.792 -12.182
272 HG2 GLU 34 HG2 GLU 34 5.527 14.263 -11.232
273 HG3 GLU 34 HG3 GLU 34 6.759 13.518 -12.248
274 H LYS 35 H LYS 35 7.392 12.537 -10.429
275 HA LYS 35 HA LYS 35 9.196 11.086 -12.054
276 HB2 LYS 35 HB2 LYS 35 9.323 13.292 -10.317
277 HB3 LYS 35 HB3 LYS 35 10.449 12.110 -9.663
278 HG2 LYS 35 HG2 LYS 35 11.291 11.951 -12.118
279 HG3 LYS 35 HG3 LYS 35 10.497 13.518 -12.292
280 HD2 LYS 35 HD2 LYS 35 11.826 14.069 -10.091
281 HD3 LYS 35 HD3 LYS 35 12.864 12.754 -10.646
282 HE2 LYS 35 HE2 LYS 35 12.086 15.055 -12.417
283 HE3 LYS 35 HE3 LYS 35 13.499 15.111 -11.365
284 HZ1 LYS 35 HZ1 LYS 35 14.170 14.408 -13.533
285 HZ2 LYS 35 HZ2 LYS 35 13.001 13.186 -13.568
286 HZ3 LYS 35 HZ3 LYS 35 14.301 13.081 -12.490
287 H PHE 36 H PHE 36 7.565 10.265 -9.200
288 HA PHE 36 HA PHE 36 9.540 8.456 -8.155
289 HB2 PHE 36 HB2 PHE 36 7.289 9.665 -7.118
290 HB3 PHE 36 HB3 PHE 36 6.773 7.993 -7.317
291 HD1 PHE 36 HD1 PHE 36 9.274 10.180 -5.715
292 HD2 PHE 36 HD2 PHE 36 7.556 6.290 -5.884
293 HE1 PHE 36 HE1 PHE 36 10.437 9.580 -3.631
294 HE2 PHE 36 HE2 PHE 36 8.716 5.684 -3.800
295 HZ PHE 36 HZ PHE 36 10.158 7.330 -2.671
296 H GLU 37 H GLU 37 6.565 8.176 -10.048
297 HA GLU 37 HA GLU 37 6.436 5.370 -10.114
298 HB2 GLU 37 HB2 GLU 37 4.801 7.328 -10.964
299 HB3 GLU 37 HB3 GLU 37 5.517 6.869 -12.503
300 HG2 GLU 37 HG2 GLU 37 4.898 4.440 -11.509
301 HG3 GLU 37 HG3 GLU 37 3.623 5.421 -10.789
302 H ARG 38 H ARG 38 7.486 3.867 -11.263
303 HA ARG 38 HA ARG 38 9.859 4.507 -12.649
304 HB2 ARG 38 HB2 ARG 38 8.297 2.041 -12.109
305 HB3 ARG 38 HB3 ARG 38 9.424 1.985 -13.458
306 HG2 ARG 38 HG2 ARG 38 11.205 2.777 -11.887
307 HG3 ARG 38 HG3 ARG 38 10.047 2.557 -10.574
308 HD2 ARG 38 HD2 ARG 38 11.186 0.549 -10.552
309 HD3 ARG 38 HD3 ARG 38 9.787 0.167 -11.554
310 HE ARG 38 HE ARG 38 12.086 1.056 -13.039
311 HH11 ARG 38 HH11 ARG 38 10.453 -1.676 -11.630
312 HH12 ARG 38 HH12 ARG 38 11.199 -2.831 -12.684
313 HH21 ARG 38 HH21 ARG 38 13.074 -0.455 -14.434
314 HH22 ARG 38 HH22 ARG 38 12.690 -2.135 -14.278
315 H GLN 39 H GLN 39 10.309 3.688 -14.913
316 HA GLN 39 HA GLN 39 9.988 3.869 -17.157
317 HB2 GLN 39 HB2 GLN 39 7.856 2.396 -16.221
318 HB3 GLN 39 HB3 GLN 39 7.067 3.678 -17.131
319 HG2 GLN 39 HG2 GLN 39 9.347 2.288 -18.415
320 HG3 GLN 39 HG3 GLN 39 7.831 1.403 -18.247
321 HE21 GLN 39 HE21 GLN 39 6.031 2.070 -19.389
322 HE22 GLN 39 HE22 GLN 39 6.122 3.204 -20.689
323 H GLN 40 H GLN 40 9.919 6.237 -15.519
324 HA GLN 40 HA GLN 40 7.922 7.957 -16.750
325 HB2 GLN 40 HB2 GLN 40 8.449 9.546 -15.138
326 HB3 GLN 40 HB3 GLN 40 8.714 8.034 -14.281
327 HG2 GLN 40 HG2 GLN 40 10.828 9.772 -15.533
328 HG3 GLN 40 HG3 GLN 40 10.491 9.600 -13.811
329 HE21 GLN 40 HE21 GLN 40 12.804 8.943 -15.734
330 HE22 GLN 40 HE22 GLN 40 13.267 7.347 -15.260
331 H ARG 41 H ARG 41 10.541 6.703 -17.965
332 HA ARG 41 HA ARG 41 11.142 9.055 -19.577
333 HB2 ARG 41 HB2 ARG 41 13.032 7.753 -17.711
334 HB3 ARG 41 HB3 ARG 41 13.660 8.097 -19.317
335 HG2 ARG 41 HG2 ARG 41 12.293 10.178 -17.638
336 HG3 ARG 41 HG3 ARG 41 14.028 9.865 -17.552
337 HD2 ARG 41 HD2 ARG 41 12.699 10.395 -20.182
338 HD3 ARG 41 HD3 ARG 41 13.154 11.729 -19.123
339 HE ARG 41 HE ARG 41 15.357 10.016 -19.438
340 HH11 ARG 41 HH11 ARG 41 13.440 12.283 -21.257
341 HH12 ARG 41 HH12 ARG 41 14.734 12.724 -22.321
342 HH21 ARG 41 HH21 ARG 41 17.069 10.589 -20.832
343 HH22 ARG 41 HH22 ARG 41 16.798 11.759 -22.079
Start of MODEL 2
1 H1 SER 1 H SER 1 5.046 -1.922 6.079
2 HA SER 1 HA SER 1 4.632 -0.133 4.734
3 HB2 SER 1 HB2 SER 1 5.136 1.008 7.076
4 HB3 SER 1 HB3 SER 1 6.559 1.601 6.220
5 HG SER 1 HG SER 1 4.033 1.830 5.020
6 H GLU 2 H GLU 2 6.504 -1.915 3.829
7 HA GLU 2 HA GLU 2 8.720 -0.323 2.770
8 HB2 GLU 2 HB2 GLU 2 8.201 -3.237 3.109
9 HB3 GLU 2 HB3 GLU 2 9.257 -2.738 1.795
10 HG2 GLU 2 HG2 GLU 2 10.414 -1.339 3.695
11 HG3 GLU 2 HG3 GLU 2 9.662 -2.550 4.732
12 H LYS 3 H LYS 3 8.263 0.755 0.969
13 HA LYS 3 HA LYS 3 7.315 -0.669 -1.352
14 HB2 LYS 3 HB2 LYS 3 5.603 1.284 0.109
15 HB3 LYS 3 HB3 LYS 3 5.576 1.324 -1.649
16 HG2 LYS 3 HG2 LYS 3 5.220 -1.271 -1.362
17 HG3 LYS 3 HG3 LYS 3 4.611 -0.773 0.218
18 HD2 LYS 3 HD2 LYS 3 3.666 0.548 -2.305
19 HD3 LYS 3 HD3 LYS 3 2.940 -0.954 -1.729
20 HE2 LYS 3 HE2 LYS 3 3.188 1.540 -0.058
21 HE3 LYS 3 HE3 LYS 3 1.760 1.138 -1.011
22 HZ1 LYS 3 HZ1 LYS 3 1.355 0.391 1.172
23 HZ2 LYS 3 HZ2 LYS 3 2.872 -0.346 1.300
24 HZ3 LYS 3 HZ3 LYS 3 1.699 -1.000 0.272
25 HA PRO 4 HA PRO 4 9.796 2.245 -3.496
26 HB2 PRO 4 HB2 PRO 4 8.443 2.569 -5.827
27 HB3 PRO 4 HB3 PRO 4 9.324 1.090 -5.425
28 HG2 PRO 4 HG2 PRO 4 6.395 1.668 -5.210
29 HG3 PRO 4 HG3 PRO 4 7.206 0.209 -5.808
30 HD2 PRO 4 HD2 PRO 4 6.154 0.374 -3.318
31 HD3 PRO 4 HD3 PRO 4 7.593 -0.598 -3.684
32 H GLN 5 H GLN 5 6.592 3.037 -2.622
33 HA GLN 5 HA GLN 5 6.480 5.666 -3.712
34 HB2 GLN 5 HB2 GLN 5 4.898 4.120 -1.707
35 HB3 GLN 5 HB3 GLN 5 4.704 5.867 -1.762
36 HG2 GLN 5 HG2 GLN 5 3.939 5.802 -4.001
37 HG3 GLN 5 HG3 GLN 5 4.405 4.111 -4.180
38 HE21 GLN 5 HE21 GLN 5 1.891 4.882 -4.837
39 HE22 GLN 5 HE22 GLN 5 0.757 4.266 -3.688
40 H GLN 6 H GLN 6 8.288 4.342 -1.224
41 HA GLN 6 HA GLN 6 8.286 6.272 0.769
42 HB2 GLN 6 HB2 GLN 6 10.375 5.392 1.470
43 HB3 GLN 6 HB3 GLN 6 9.483 4.043 0.779
44 HG2 GLN 6 HG2 GLN 6 11.484 3.682 -0.208
45 HG3 GLN 6 HG3 GLN 6 10.790 4.778 -1.401
46 HE21 GLN 6 HE21 GLN 6 13.284 4.797 -1.688
47 HE22 GLN 6 HE22 GLN 6 14.096 6.102 -0.899
48 H GLU 7 H GLU 7 9.770 6.310 -2.392
49 HA GLU 7 HA GLU 7 11.450 8.573 -1.887
50 HB2 GLU 7 HB2 GLU 7 10.917 6.762 -4.089
51 HB3 GLU 7 HB3 GLU 7 11.022 8.428 -4.643
52 HG2 GLU 7 HG2 GLU 7 13.180 8.393 -3.095
53 HG3 GLU 7 HG3 GLU 7 13.104 6.676 -3.483
54 H LEU 8 H LEU 8 8.165 8.094 -2.898
55 HA LEU 8 HA LEU 8 7.737 10.646 -4.061
56 HB2 LEU 8 HB2 LEU 8 6.300 8.629 -4.386
57 HB3 LEU 8 HB3 LEU 8 5.702 8.857 -2.744
58 HG LEU 8 HG LEU 8 4.724 10.998 -3.385
59 HD11 LEU 8 HD11 LEU 8 4.692 11.712 -5.713
60 HD12 LEU 8 HD12 LEU 8 5.730 10.356 -6.154
61 HD13 LEU 8 HD13 LEU 8 6.345 11.630 -5.101
62 HD21 LEU 8 HD21 LEU 8 3.609 9.449 -5.563
63 HD22 LEU 8 HD22 LEU 8 2.873 9.948 -4.040
64 HD23 LEU 8 HD23 LEU 8 3.839 8.473 -4.112
65 H GLU 9 H GLU 9 6.836 9.338 -0.867
66 HA GLU 9 HA GLU 9 5.755 11.616 0.245
67 HB2 GLU 9 HB2 GLU 9 6.394 10.674 2.440
68 HB3 GLU 9 HB3 GLU 9 5.661 9.479 1.380
69 HG2 GLU 9 HG2 GLU 9 7.769 8.482 0.912
70 HG3 GLU 9 HG3 GLU 9 8.630 9.790 1.721
71 H GLU 10 H GLU 10 9.117 10.801 -0.261
72 HA GLU 10 HA GLU 10 10.162 12.894 1.389
73 HB2 GLU 10 HB2 GLU 10 11.474 11.272 -0.799
74 HB3 GLU 10 HB3 GLU 10 12.320 12.348 0.303
75 HG2 GLU 10 HG2 GLU 10 10.638 10.148 1.402
76 HG3 GLU 10 HG3 GLU 10 12.240 9.789 0.760
77 H CYS 11 H CYS 11 9.545 12.490 -2.068
78 HA CYS 11 HA CYS 11 10.714 14.901 -2.928
79 HB2 CYS 11 HB2 CYS 11 9.834 12.838 -4.280
80 HB3 CYS 11 HB3 CYS 11 8.320 13.736 -4.304
81 H GLN 12 H GLN 12 7.332 14.112 -2.150
82 HA GLN 12 HA GLN 12 6.326 16.710 -2.594
83 HB2 GLN 12 HB2 GLN 12 5.213 14.576 -0.766
84 HB3 GLN 12 HB3 GLN 12 4.333 15.950 -1.422
85 HG2 GLN 12 HG2 GLN 12 5.117 14.885 -3.714
86 HG3 GLN 12 HG3 GLN 12 5.162 13.425 -2.729
87 HE21 GLN 12 HE21 GLN 12 3.312 14.999 -4.819
88 HE22 GLN 12 HE22 GLN 12 1.737 14.567 -4.255
89 H ASN 13 H ASN 13 7.452 15.064 0.334
90 HA ASN 13 HA ASN 13 6.780 16.987 2.217
91 HB2 ASN 13 HB2 ASN 13 8.901 14.888 2.053
92 HB3 ASN 13 HB3 ASN 13 8.985 16.070 3.355
93 HD21 ASN 13 HD21 ASN 13 8.677 14.302 4.798
94 HD22 ASN 13 HD22 ASN 13 7.093 13.671 5.079
95 H VAL 14 H VAL 14 9.606 16.789 0.111
96 HA VAL 14 HA VAL 14 10.980 19.001 1.248
97 HB VAL 14 HB VAL 14 11.238 17.791 -1.508
98 HG11 VAL 14 HG11 VAL 14 12.527 19.549 -1.961
99 HG12 VAL 14 HG12 VAL 14 12.462 20.115 -0.291
100 HG13 VAL 14 HG13 VAL 14 13.664 18.916 -0.772
101 HG21 VAL 14 HG21 VAL 14 13.330 17.331 0.495
102 HG22 VAL 14 HG22 VAL 14 11.775 16.589 0.874
103 HG23 VAL 14 HG23 VAL 14 12.584 16.212 -0.647
104 H CYS 15 H CYS 15 8.791 18.646 -1.511
105 HA CYS 15 HA CYS 15 9.010 21.205 -2.579
106 HB2 CYS 15 HB2 CYS 15 6.609 19.368 -2.474
107 HB3 CYS 15 HB3 CYS 15 6.713 20.810 -3.479
108 H ARG 16 H ARG 16 6.935 20.006 0.026
109 HA ARG 16 HA ARG 16 5.491 22.408 0.406
110 HB2 ARG 16 HB2 ARG 16 6.064 20.232 2.425
111 HB3 ARG 16 HB3 ARG 16 4.785 21.435 2.525
112 HG2 ARG 16 HG2 ARG 16 3.473 20.374 1.005
113 HG3 ARG 16 HG3 ARG 16 4.846 19.703 0.123
114 HD2 ARG 16 HD2 ARG 16 5.227 18.252 2.197
115 HD3 ARG 16 HD3 ARG 16 3.600 18.736 2.677
116 HE ARG 16 HE ARG 16 3.783 17.664 0.009
117 HH11 ARG 16 HH11 ARG 16 3.327 16.942 3.384
118 HH12 ARG 16 HH12 ARG 16 2.502 15.448 3.087
119 HH21 ARG 16 HH21 ARG 16 2.697 15.698 -0.395
120 HH22 ARG 16 HH22 ARG 16 2.145 14.741 0.937
121 H MET 17 H MET 17 8.665 21.442 1.280
122 HA MET 17 HA MET 17 8.921 23.399 3.408
123 HB2 MET 17 HB2 MET 17 10.656 21.265 2.255
124 HB3 MET 17 HB3 MET 17 11.430 22.594 3.107
125 HG2 MET 17 HG2 MET 17 9.600 22.002 4.925
126 HG3 MET 17 HG3 MET 17 9.693 20.429 4.138
127 HE1 MET 17 HE1 MET 17 10.143 20.440 6.966
128 HE2 MET 17 HE2 MET 17 11.792 20.486 7.592
129 HE3 MET 17 HE3 MET 17 10.929 21.990 7.266
130 H LYS 18 H LYS 18 8.742 23.683 0.201
131 HA LYS 18 HA LYS 18 11.022 25.315 -0.378
132 HB2 LYS 18 HB2 LYS 18 8.407 24.928 -1.842
133 HB3 LYS 18 HB3 LYS 18 9.755 25.871 -2.464
134 HG2 LYS 18 HG2 LYS 18 9.774 22.923 -1.848
135 HG3 LYS 18 HG3 LYS 18 9.737 23.664 -3.450
136 HD2 LYS 18 HD2 LYS 18 11.917 24.839 -2.686
137 HD3 LYS 18 HD3 LYS 18 11.971 23.574 -1.455
138 HE2 LYS 18 HE2 LYS 18 11.951 23.222 -4.448
139 HE3 LYS 18 HE3 LYS 18 13.271 22.859 -3.338
140 HZ1 LYS 18 HZ1 LYS 18 12.428 20.797 -3.462
141 HZ2 LYS 18 HZ2 LYS 18 10.896 21.317 -3.954
142 HZ3 LYS 18 HZ3 LYS 18 11.318 21.361 -2.317
143 H ARG 19 H ARG 19 11.090 27.559 -0.686
144 HA ARG 19 HA ARG 19 9.169 29.024 0.960
145 HB2 ARG 19 HB2 ARG 19 11.821 29.150 1.033
146 HB3 ARG 19 HB3 ARG 19 11.563 30.336 -0.240
147 HG2 ARG 19 HG2 ARG 19 9.899 31.420 1.391
148 HG3 ARG 19 HG3 ARG 19 10.688 30.428 2.619
149 HD2 ARG 19 HD2 ARG 19 11.973 32.494 0.840
150 HD3 ARG 19 HD3 ARG 19 11.725 32.597 2.582
151 HE ARG 19 HE ARG 19 13.252 30.321 2.069
152 HH11 ARG 19 HH11 ARG 19 13.520 33.782 1.803
153 HH12 ARG 19 HH12 ARG 19 15.238 33.797 2.022
154 HH21 ARG 19 HH21 ARG 19 15.514 30.327 2.359
155 HH22 ARG 19 HH22 ARG 19 16.372 31.831 2.338
156 H TRP 20 H TRP 20 8.490 28.087 -1.727
157 HA TRP 20 HA TRP 20 8.240 30.635 -3.170
158 HB2 TRP 20 HB2 TRP 20 7.720 27.847 -4.218
159 HB3 TRP 20 HB3 TRP 20 7.802 29.333 -5.159
160 HD1 TRP 20 HD1 TRP 20 10.498 30.524 -3.969
161 HE1 TRP 20 HE1 TRP 20 12.741 29.402 -4.545
162 HE3 TRP 20 HE3 TRP 20 8.774 25.895 -5.289
163 HZ2 TRP 20 HZ2 TRP 20 13.659 26.887 -5.442
164 HZ3 TRP 20 HZ3 TRP 20 10.400 24.189 -5.994
165 HH2 TRP 20 HH2 TRP 20 12.791 24.676 -6.069
166 H SER 21 H SER 21 6.150 30.903 -4.393
167 HA SER 21 HA SER 21 4.001 31.082 -2.660
168 HB2 SER 21 HB2 SER 21 2.622 31.520 -4.640
169 HB3 SER 21 HB3 SER 21 4.171 32.352 -4.767
170 HG SER 21 HG SER 21 4.329 31.357 -6.606
171 H THR 22 H THR 22 1.943 29.975 -2.657
172 HA THR 22 HA THR 22 2.098 27.257 -2.221
173 HB THR 22 HB THR 22 0.221 28.586 -1.412
174 HG1 THR 22 HG1 THR 22 -0.844 26.767 -1.408
175 HG21 THR 22 HG21 THR 22 -0.914 28.578 -4.197
176 HG22 THR 22 HG22 THR 22 0.053 29.921 -3.587
177 HG23 THR 22 HG23 THR 22 -1.459 29.489 -2.790
178 H GLU 23 H GLU 23 1.594 28.972 -5.216
179 HA GLU 23 HA GLU 23 0.564 26.876 -6.774
180 HB2 GLU 23 HB2 GLU 23 2.068 29.392 -7.390
181 HB3 GLU 23 HB3 GLU 23 1.771 28.223 -8.668
182 HG2 GLU 23 HG2 GLU 23 -0.490 29.177 -6.973
183 HG3 GLU 23 HG3 GLU 23 0.117 30.184 -8.286
184 H MET 24 H MET 24 3.909 27.912 -6.191
185 HA MET 24 HA MET 24 5.120 26.001 -7.877
186 HB2 MET 24 HB2 MET 24 6.089 27.677 -5.584
187 HB3 MET 24 HB3 MET 24 7.138 26.457 -6.295
188 HG2 MET 24 HG2 MET 24 6.348 27.710 -8.524
189 HG3 MET 24 HG3 MET 24 6.226 29.042 -7.377
190 HE1 MET 24 HE1 MET 24 8.115 27.465 -9.859
191 HE2 MET 24 HE2 MET 24 9.833 27.654 -9.509
192 HE3 MET 24 HE3 MET 24 8.936 26.301 -8.818
193 H VAL 25 H VAL 25 4.019 25.890 -4.560
194 HA VAL 25 HA VAL 25 5.356 23.470 -3.861
195 HB VAL 25 HB VAL 25 2.867 24.620 -2.596
196 HG11 VAL 25 HG11 VAL 25 3.618 23.416 -0.606
197 HG12 VAL 25 HG12 VAL 25 3.359 22.313 -1.959
198 HG13 VAL 25 HG13 VAL 25 4.997 22.783 -1.504
199 HG21 VAL 25 HG21 VAL 25 5.693 25.463 -2.492
200 HG22 VAL 25 HG22 VAL 25 4.219 26.396 -2.233
201 HG23 VAL 25 HG23 VAL 25 4.851 25.372 -0.945
202 H HIS 26 H HIS 26 2.088 24.247 -4.991
203 HA HIS 26 HA HIS 26 1.037 21.641 -4.811
204 HB2 HIS 26 HB2 HIS 26 0.279 24.024 -6.497
205 HB3 HIS 26 HB3 HIS 26 -0.621 22.511 -6.545
206 HD1 HIS 26 HD1 HIS 26 -2.650 23.998 -5.655
207 HD2 HIS 26 HD2 HIS 26 0.510 23.475 -3.009
208 HE1 HIS 26 HE1 HIS 26 -3.549 24.646 -3.397
209 H ARG 27 H ARG 27 2.239 23.412 -7.666
210 HA ARG 27 HA ARG 27 2.044 21.343 -9.503
211 HB2 ARG 27 HB2 ARG 27 3.847 22.554 -10.756
212 HB3 ARG 27 HB3 ARG 27 2.493 23.565 -10.267
213 HG2 ARG 27 HG2 ARG 27 4.084 24.961 -9.550
214 HG3 ARG 27 HG3 ARG 27 4.169 23.879 -8.158
215 HD2 ARG 27 HD2 ARG 27 6.372 23.899 -8.732
216 HD3 ARG 27 HD3 ARG 27 5.831 22.569 -9.754
217 HE ARG 27 HE ARG 27 5.578 24.978 -11.174
218 HH11 ARG 27 HH11 ARG 27 8.030 22.848 -9.922
219 HH12 ARG 27 HH12 ARG 27 9.196 23.266 -11.133
220 HH21 ARG 27 HH21 ARG 27 7.104 25.537 -12.774
221 HH22 ARG 27 HH22 ARG 27 8.668 24.796 -12.755
222 H CYS 28 H CYS 28 4.764 22.202 -7.390
223 HA CYS 28 HA CYS 28 6.638 20.373 -8.277
224 HB2 CYS 28 HB2 CYS 28 7.026 22.163 -6.576
225 HB3 CYS 28 HB3 CYS 28 6.184 21.165 -5.394
226 H GLU 29 H GLU 29 4.177 19.916 -5.747
227 HA GLU 29 HA GLU 29 4.833 17.245 -5.157
228 HB2 GLU 29 HB2 GLU 29 2.262 18.792 -4.828
229 HB3 GLU 29 HB3 GLU 29 2.479 17.152 -4.234
230 HG2 GLU 29 HG2 GLU 29 4.481 18.048 -2.952
231 HG3 GLU 29 HG3 GLU 29 3.868 19.654 -3.341
232 H LYS 30 H LYS 30 2.211 18.555 -7.186
233 HA LYS 30 HA LYS 30 1.176 16.151 -8.100
234 HB2 LYS 30 HB2 LYS 30 1.119 18.956 -8.983
235 HB3 LYS 30 HB3 LYS 30 0.852 17.786 -10.269
236 HG2 LYS 30 HG2 LYS 30 -0.707 17.055 -7.989
237 HG3 LYS 30 HG3 LYS 30 -0.999 18.749 -8.388
238 HD2 LYS 30 HD2 LYS 30 -1.120 16.485 -10.378
239 HD3 LYS 30 HD3 LYS 30 -2.525 17.157 -9.547
240 HE2 LYS 30 HE2 LYS 30 -0.648 18.672 -11.359
241 HE3 LYS 30 HE3 LYS 30 -2.262 18.106 -11.788
242 HZ1 LYS 30 HZ1 LYS 30 -3.037 20.012 -11.007
243 HZ2 LYS 30 HZ2 LYS 30 -1.513 20.475 -10.440
244 HZ3 LYS 30 HZ3 LYS 30 -2.541 19.563 -9.454
245 H LYS 31 H LYS 31 3.998 17.931 -9.168
246 HA LYS 31 HA LYS 31 4.432 16.501 -11.576
247 HB2 LYS 31 HB2 LYS 31 6.129 18.244 -9.824
248 HB3 LYS 31 HB3 LYS 31 6.872 17.339 -11.137
249 HG2 LYS 31 HG2 LYS 31 4.502 19.106 -11.617
250 HG3 LYS 31 HG3 LYS 31 6.144 19.753 -11.580
251 HD2 LYS 31 HD2 LYS 31 6.720 17.966 -13.295
252 HD3 LYS 31 HD3 LYS 31 4.981 17.717 -13.466
253 HE2 LYS 31 HE2 LYS 31 6.168 20.456 -13.711
254 HE3 LYS 31 HE3 LYS 31 6.189 19.343 -15.078
255 HZ1 LYS 31 HZ1 LYS 31 3.613 19.398 -13.924
256 HZ2 LYS 31 HZ2 LYS 31 4.080 19.815 -15.495
257 HZ3 LYS 31 HZ3 LYS 31 4.105 20.980 -14.269
258 H CYS 32 H CYS 32 5.931 16.211 -8.355
259 HA CYS 32 HA CYS 32 7.554 14.008 -8.929
260 HB2 CYS 32 HB2 CYS 32 6.347 15.037 -6.368
261 HB3 CYS 32 HB3 CYS 32 7.371 13.605 -6.394
262 H GLU 33 H GLU 33 4.156 14.228 -8.325
263 HA GLU 33 HA GLU 33 3.771 11.479 -7.623
264 HB2 GLU 33 HB2 GLU 33 2.013 13.803 -8.230
265 HB3 GLU 33 HB3 GLU 33 1.320 12.195 -8.388
266 HG2 GLU 33 HG2 GLU 33 2.794 12.929 -5.902
267 HG3 GLU 33 HG3 GLU 33 1.140 13.488 -6.141
268 H GLU 34 H GLU 34 3.352 13.389 -10.582
269 HA GLU 34 HA GLU 34 2.461 11.161 -12.139
270 HB2 GLU 34 HB2 GLU 34 2.770 12.700 -14.066
271 HB3 GLU 34 HB3 GLU 34 1.779 13.381 -12.783
272 HG2 GLU 34 HG2 GLU 34 3.674 14.684 -11.991
273 HG3 GLU 34 HG3 GLU 34 4.692 13.982 -13.246
274 H LYS 35 H LYS 35 5.542 12.804 -11.644
275 HA LYS 35 HA LYS 35 6.975 11.405 -13.650
276 HB2 LYS 35 HB2 LYS 35 7.515 13.426 -11.718
277 HB3 LYS 35 HB3 LYS 35 8.721 12.160 -11.523
278 HG2 LYS 35 HG2 LYS 35 9.587 12.474 -13.636
279 HG3 LYS 35 HG3 LYS 35 8.106 13.214 -14.247
280 HD2 LYS 35 HD2 LYS 35 9.376 15.092 -14.033
281 HD3 LYS 35 HD3 LYS 35 8.713 15.027 -12.398
282 HE2 LYS 35 HE2 LYS 35 11.346 13.792 -13.185
283 HE3 LYS 35 HE3 LYS 35 11.190 15.426 -12.540
284 HZ1 LYS 35 HZ1 LYS 35 10.970 12.870 -11.184
285 HZ2 LYS 35 HZ2 LYS 35 9.840 14.039 -10.716
286 HZ3 LYS 35 HZ3 LYS 35 11.496 14.367 -10.597
287 H PHE 36 H PHE 36 5.783 10.453 -10.626
288 HA PHE 36 HA PHE 36 7.793 8.522 -9.979
289 HB2 PHE 36 HB2 PHE 36 5.689 9.668 -8.616
290 HB3 PHE 36 HB3 PHE 36 5.124 8.022 -8.885
291 HD1 PHE 36 HD2 PHE 36 7.902 10.018 -7.472
292 HD2 PHE 36 HD1 PHE 36 5.944 6.240 -7.606
293 HE1 PHE 36 HE2 PHE 36 9.270 9.246 -5.579
294 HE2 PHE 36 HE1 PHE 36 7.309 5.462 -5.712
295 HZ PHE 36 HZ PHE 36 8.975 6.965 -4.696
296 H GLU 37 H GLU 37 5.107 8.606 -12.104
297 HA GLU 37 HA GLU 37 4.338 5.926 -12.186
298 HB2 GLU 37 HB2 GLU 37 3.517 8.145 -13.468
299 HB3 GLU 37 HB3 GLU 37 4.440 7.393 -14.761
300 HG2 GLU 37 HG2 GLU 37 2.987 5.287 -13.882
301 HG3 GLU 37 HG3 GLU 37 1.875 6.619 -13.571
302 H ARG 38 H ARG 38 7.208 7.466 -13.311
303 HA ARG 38 HA ARG 38 8.225 4.888 -14.224
304 HB2 ARG 38 HB2 ARG 38 7.281 6.358 -16.163
305 HB3 ARG 38 HB3 ARG 38 8.750 7.298 -15.930
306 HG2 ARG 38 HG2 ARG 38 10.095 5.300 -16.340
307 HG3 ARG 38 HG3 ARG 38 8.620 4.360 -16.576
308 HD2 ARG 38 HD2 ARG 38 8.019 5.846 -18.456
309 HD3 ARG 38 HD3 ARG 38 9.549 6.696 -18.242
310 HE ARG 38 HE ARG 38 10.245 4.069 -18.554
311 HH11 ARG 38 HH11 ARG 38 8.435 6.393 -20.410
312 HH12 ARG 38 HH12 ARG 38 8.852 5.692 -21.938
313 HH21 ARG 38 HH21 ARG 38 10.801 3.137 -20.561
314 HH22 ARG 38 HH22 ARG 38 10.197 3.839 -22.023
315 H GLN 39 H GLN 39 9.867 4.627 -12.849
316 HA GLN 39 HA GLN 39 11.367 6.800 -11.767
317 HB2 GLN 39 HB2 GLN 39 10.954 4.150 -11.081
318 HB3 GLN 39 HB3 GLN 39 12.642 4.183 -11.572
319 HG2 GLN 39 HG2 GLN 39 11.559 6.198 -9.644
320 HG3 GLN 39 HG3 GLN 39 12.062 4.596 -9.107
321 HE21 GLN 39 HE21 GLN 39 14.271 3.956 -9.569
322 HE22 GLN 39 HE22 GLN 39 15.506 5.163 -9.615
323 H GLN 40 H GLN 40 13.032 7.823 -12.645
324 HA GLN 40 HA GLN 40 15.054 6.482 -14.149
325 HB2 GLN 40 HB2 GLN 40 14.733 7.446 -16.288
326 HB3 GLN 40 HB3 GLN 40 13.172 6.785 -15.820
327 HG2 GLN 40 HG2 GLN 40 12.485 8.798 -16.582
328 HG3 GLN 40 HG3 GLN 40 12.820 9.245 -14.910
329 HE21 GLN 40 HE21 GLN 40 13.270 11.368 -15.326
330 HE22 GLN 40 HE22 GLN 40 14.667 11.889 -16.200
331 H ARG 41 H ARG 41 16.684 8.096 -15.023
332 HA ARG 41 HA ARG 41 16.646 10.668 -13.650
333 HB2 ARG 41 HB2 ARG 41 18.276 8.388 -12.842
334 HB3 ARG 41 HB3 ARG 41 19.243 9.813 -13.202
335 HG2 ARG 41 HG2 ARG 41 16.924 9.734 -11.283
336 HG3 ARG 41 HG3 ARG 41 18.628 9.656 -10.832
337 HD2 ARG 41 HD2 ARG 41 18.459 11.884 -12.473
338 HD3 ARG 41 HD3 ARG 41 16.985 11.949 -11.508
339 HE ARG 41 HE ARG 41 18.255 12.455 -9.674
340 HH11 ARG 41 HH11 ARG 41 20.319 11.172 -12.167
341 HH12 ARG 41 HH12 ARG 41 21.786 11.524 -11.315
342 HH21 ARG 41 HH21 ARG 41 20.180 12.924 -8.543
343 HH22 ARG 41 HH22 ARG 41 21.706 12.520 -9.253
Start of MODEL 3
1 H1 SER 1 H SER 1 9.200 -2.858 -7.895
2 HA SER 1 HA SER 1 7.497 -5.237 -7.543
3 HB2 SER 1 HB2 SER 1 9.465 -6.499 -6.956
4 HB3 SER 1 HB3 SER 1 9.790 -5.664 -8.475
5 HG SER 1 HG SER 1 11.296 -4.538 -7.525
6 H GLU 2 H GLU 2 9.099 -2.577 -6.011
7 HA GLU 2 HA GLU 2 8.053 -3.478 -3.407
8 HB2 GLU 2 HB2 GLU 2 9.949 -1.723 -2.658
9 HB3 GLU 2 HB3 GLU 2 10.249 -3.445 -2.847
10 HG2 GLU 2 HG2 GLU 2 11.254 -3.141 -4.956
11 HG3 GLU 2 HG3 GLU 2 10.677 -1.480 -5.074
12 H LYS 3 H LYS 3 8.637 -0.748 -5.554
13 HA LYS 3 HA LYS 3 7.649 1.292 -5.742
14 HB2 LYS 3 HB2 LYS 3 5.604 -0.335 -5.493
15 HB3 LYS 3 HB3 LYS 3 5.434 0.432 -3.919
16 HG2 LYS 3 HG2 LYS 3 5.230 2.608 -4.979
17 HG3 LYS 3 HG3 LYS 3 5.455 1.869 -6.566
18 HD2 LYS 3 HD2 LYS 3 3.158 2.030 -6.458
19 HD3 LYS 3 HD3 LYS 3 3.421 0.394 -5.849
20 HE2 LYS 3 HE2 LYS 3 2.950 0.990 -3.669
21 HE3 LYS 3 HE3 LYS 3 3.351 2.686 -3.936
22 HZ1 LYS 3 HZ1 LYS 3 0.916 2.107 -3.676
23 HZ2 LYS 3 HZ2 LYS 3 1.008 1.414 -5.216
24 HZ3 LYS 3 HZ3 LYS 3 1.325 3.063 -5.011
25 HA PRO 4 HA PRO 4 9.312 2.454 -1.571
26 HB2 PRO 4 HB2 PRO 4 11.193 4.154 -2.540
27 HB3 PRO 4 HB3 PRO 4 11.473 2.419 -2.349
28 HG2 PRO 4 HG2 PRO 4 10.750 3.962 -4.811
29 HG3 PRO 4 HG3 PRO 4 11.935 2.658 -4.616
30 HD2 PRO 4 HD2 PRO 4 9.472 2.243 -5.660
31 HD3 PRO 4 HD3 PRO 4 10.326 1.010 -4.710
32 H GLN 5 H GLN 5 7.043 3.430 -1.714
33 HA GLN 5 HA GLN 5 6.712 6.043 -2.776
34 HB2 GLN 5 HB2 GLN 5 4.596 6.063 -1.641
35 HB3 GLN 5 HB3 GLN 5 4.848 4.453 -2.303
36 HG2 GLN 5 HG2 GLN 5 5.675 3.771 -0.026
37 HG3 GLN 5 HG3 GLN 5 5.095 5.330 0.558
38 HE21 GLN 5 HE21 GLN 5 4.060 3.197 1.729
39 HE22 GLN 5 HE22 GLN 5 2.439 2.907 1.210
40 H GLN 6 H GLN 6 8.181 4.844 0.065
41 HA GLN 6 HA GLN 6 7.768 6.883 1.903
42 HB2 GLN 6 HB2 GLN 6 10.119 5.067 1.416
43 HB3 GLN 6 HB3 GLN 6 10.109 6.236 2.730
44 HG2 GLN 6 HG2 GLN 6 9.421 4.219 3.690
45 HG3 GLN 6 HG3 GLN 6 7.945 5.161 3.483
46 HE21 GLN 6 HE21 GLN 6 6.315 3.962 2.855
47 HE22 GLN 6 HE22 GLN 6 6.387 2.617 1.773
48 H GLU 7 H GLU 7 9.709 6.834 -0.973
49 HA GLU 7 HA GLU 7 11.352 9.072 -0.320
50 HB2 GLU 7 HB2 GLU 7 11.009 7.261 -2.548
51 HB3 GLU 7 HB3 GLU 7 11.158 8.919 -3.114
52 HG2 GLU 7 HG2 GLU 7 13.100 7.471 -1.329
53 HG3 GLU 7 HG3 GLU 7 13.320 7.831 -3.040
54 H LEU 8 H LEU 8 8.267 8.655 -1.960
55 HA LEU 8 HA LEU 8 7.980 11.192 -3.072
56 HB2 LEU 8 HB2 LEU 8 6.489 9.300 -3.534
57 HB3 LEU 8 HB3 LEU 8 5.840 9.420 -1.900
58 HG LEU 8 HG LEU 8 4.994 11.697 -2.482
59 HD11 LEU 8 HD11 LEU 8 6.640 11.967 -4.392
60 HD12 LEU 8 HD12 LEU 8 4.981 12.479 -4.700
61 HD13 LEU 8 HD13 LEU 8 5.559 10.938 -5.334
62 HD21 LEU 8 HD21 LEU 8 3.303 10.152 -2.537
63 HD22 LEU 8 HD22 LEU 8 4.074 9.188 -3.797
64 HD23 LEU 8 HD23 LEU 8 3.280 10.708 -4.211
65 H GLU 9 H GLU 9 6.996 10.020 0.138
66 HA GLU 9 HA GLU 9 5.783 12.299 1.111
67 HB2 GLU 9 HB2 GLU 9 7.419 10.178 2.486
68 HB3 GLU 9 HB3 GLU 9 6.671 11.492 3.383
69 HG2 GLU 9 HG2 GLU 9 4.974 9.900 1.539
70 HG3 GLU 9 HG3 GLU 9 5.472 9.174 3.066
71 H GLU 10 H GLU 10 9.226 11.511 0.992
72 HA GLU 10 HA GLU 10 10.122 13.756 2.458
73 HB2 GLU 10 HB2 GLU 10 11.629 12.222 0.335
74 HB3 GLU 10 HB3 GLU 10 12.326 13.225 1.599
75 HG2 GLU 10 HG2 GLU 10 10.690 10.767 2.153
76 HG3 GLU 10 HG3 GLU 10 12.444 10.754 1.986
77 H CYS 11 H CYS 11 9.657 13.180 -1.002
78 HA CYS 11 HA CYS 11 10.752 15.582 -1.943
79 HB2 CYS 11 HB2 CYS 11 9.929 13.445 -3.216
80 HB3 CYS 11 HB3 CYS 11 8.398 14.309 -3.294
81 H GLN 12 H GLN 12 7.336 14.762 -1.328
82 HA GLN 12 HA GLN 12 6.327 17.337 -1.829
83 HB2 GLN 12 HB2 GLN 12 5.170 15.208 -0.020
84 HB3 GLN 12 HB3 GLN 12 4.298 16.572 -0.707
85 HG2 GLN 12 HG2 GLN 12 5.043 15.578 -2.981
86 HG3 GLN 12 HG3 GLN 12 5.307 14.105 -2.048
87 HE21 GLN 12 HE21 GLN 12 3.233 15.320 -4.077
88 HE22 GLN 12 HE22 GLN 12 1.732 14.756 -3.436
89 H ASN 13 H ASN 13 7.370 15.765 1.167
90 HA ASN 13 HA ASN 13 6.583 17.667 3.011
91 HB2 ASN 13 HB2 ASN 13 8.862 15.723 2.912
92 HB3 ASN 13 HB3 ASN 13 8.770 16.884 4.233
93 HD21 ASN 13 HD21 ASN 13 8.485 15.190 5.708
94 HD22 ASN 13 HD22 ASN 13 6.971 14.373 5.862
95 H VAL 14 H VAL 14 9.518 17.580 1.032
96 HA VAL 14 HA VAL 14 10.664 19.930 2.160
97 HB VAL 14 HB VAL 14 11.220 18.626 -0.509
98 HG11 VAL 14 HG11 VAL 14 12.189 20.689 -0.765
99 HG12 VAL 14 HG12 VAL 14 12.484 20.888 0.963
100 HG13 VAL 14 HG13 VAL 14 13.506 19.810 0.011
101 HG21 VAL 14 HG21 VAL 14 13.206 18.311 1.587
102 HG22 VAL 14 HG22 VAL 14 11.650 17.605 2.023
103 HG23 VAL 14 HG23 VAL 14 12.464 17.099 0.543
104 H CYS 15 H CYS 15 8.565 19.287 -0.587
105 HA CYS 15 HA CYS 15 8.746 21.761 -1.876
106 HB2 CYS 15 HB2 CYS 15 6.449 19.804 -1.696
107 HB3 CYS 15 HB3 CYS 15 6.463 21.199 -2.771
108 H ARG 16 H ARG 16 6.657 20.686 0.768
109 HA ARG 16 HA ARG 16 5.128 23.072 0.913
110 HB2 ARG 16 HB2 ARG 16 5.638 21.065 3.114
111 HB3 ARG 16 HB3 ARG 16 4.308 22.212 3.023
112 HG2 ARG 16 HG2 ARG 16 3.346 21.056 1.168
113 HG3 ARG 16 HG3 ARG 16 4.759 20.008 1.026
114 HD2 ARG 16 HD2 ARG 16 2.800 20.100 3.316
115 HD3 ARG 16 HD3 ARG 16 2.959 18.817 2.117
116 HE ARG 16 HE ARG 16 5.425 19.165 3.407
117 HH11 ARG 16 HH11 ARG 16 2.202 18.023 4.062
118 HH12 ARG 16 HH12 ARG 16 2.706 16.909 5.289
119 HH21 ARG 16 HH21 ARG 16 6.101 17.702 5.021
120 HH22 ARG 16 HH22 ARG 16 4.923 16.727 5.835
121 H MET 17 H MET 17 8.318 22.391 1.749
122 HA MET 17 HA MET 17 8.445 24.376 3.880
123 HB2 MET 17 HB2 MET 17 10.176 22.203 2.903
124 HB3 MET 17 HB3 MET 17 11.033 23.647 3.424
125 HG2 MET 17 HG2 MET 17 8.994 22.932 5.323
126 HG3 MET 17 HG3 MET 17 10.073 21.574 5.015
127 HE1 MET 17 HE1 MET 17 9.380 22.937 7.490
128 HE2 MET 17 HE2 MET 17 10.926 22.621 8.277
129 HE3 MET 17 HE3 MET 17 10.359 24.280 8.080
130 H LYS 18 H LYS 18 8.368 24.478 0.620
131 HA LYS 18 HA LYS 18 10.517 26.284 0.068
132 HB2 LYS 18 HB2 LYS 18 8.018 25.666 -1.518
133 HB3 LYS 18 HB3 LYS 18 9.393 26.587 -2.114
134 HG2 LYS 18 HG2 LYS 18 9.370 23.684 -1.320
135 HG3 LYS 18 HG3 LYS 18 9.519 24.344 -2.951
136 HD2 LYS 18 HD2 LYS 18 11.495 24.727 -0.702
137 HD3 LYS 18 HD3 LYS 18 11.689 23.629 -2.070
138 HE2 LYS 18 HE2 LYS 18 11.546 26.639 -2.143
139 HE3 LYS 18 HE3 LYS 18 12.942 25.627 -2.508
140 HZ1 LYS 18 HZ1 LYS 18 11.986 26.324 -4.551
141 HZ2 LYS 18 HZ2 LYS 18 10.433 25.853 -4.074
142 HZ3 LYS 18 HZ3 LYS 18 11.618 24.683 -4.371
143 H ARG 19 H ARG 19 10.602 28.368 0.559
144 HA ARG 19 HA ARG 19 8.183 29.744 1.412
145 HB2 ARG 19 HB2 ARG 19 9.708 31.508 2.178
146 HB3 ARG 19 HB3 ARG 19 10.171 29.936 2.815
147 HG2 ARG 19 HG2 ARG 19 11.861 29.785 0.976
148 HG3 ARG 19 HG3 ARG 19 11.476 31.461 0.576
149 HD2 ARG 19 HD2 ARG 19 13.316 31.677 1.970
150 HD3 ARG 19 HD3 ARG 19 11.962 31.920 3.072
151 HE ARG 19 HE ARG 19 12.626 29.201 3.067
152 HH11 ARG 19 HH11 ARG 19 13.955 32.260 4.065
153 HH12 ARG 19 HH12 ARG 19 14.882 31.582 5.362
154 HH21 ARG 19 HH21 ARG 19 13.842 28.297 4.772
155 HH22 ARG 19 HH22 ARG 19 14.818 29.328 5.762
156 H TRP 20 H TRP 20 8.051 29.224 -1.253
157 HA TRP 20 HA TRP 20 8.776 31.744 -2.581
158 HB2 TRP 20 HB2 TRP 20 8.187 28.981 -3.612
159 HB3 TRP 20 HB3 TRP 20 8.097 30.382 -4.676
160 HD1 TRP 20 HD1 TRP 20 10.748 29.157 -2.098
161 HE1 TRP 20 HE1 TRP 20 13.061 29.328 -3.215
162 HE3 TRP 20 HE3 TRP 20 9.313 30.951 -6.665
163 HZ2 TRP 20 HZ2 TRP 20 14.134 30.119 -5.703
164 HZ3 TRP 20 HZ3 TRP 20 11.044 31.389 -8.358
165 HH2 TRP 20 HH2 TRP 20 13.405 30.981 -7.884
166 H SER 21 H SER 21 6.103 29.385 -2.790
167 HA SER 21 HA SER 21 4.071 31.191 -2.100
168 HB2 SER 21 HB2 SER 21 3.042 31.524 -4.351
169 HB3 SER 21 HB3 SER 21 4.589 32.350 -4.164
170 HG SER 21 HG SER 21 4.141 30.996 -6.151
171 H THR 22 H THR 22 1.976 30.260 -2.210
172 HA THR 22 HA THR 22 1.815 27.553 -1.718
173 HB THR 22 HB THR 22 0.005 28.987 -1.059
174 HG1 THR 22 HG1 THR 22 -1.244 27.306 -1.303
175 HG21 THR 22 HG21 THR 22 -1.457 30.108 -2.592
176 HG22 THR 22 HG22 THR 22 -0.674 29.347 -3.977
177 HG23 THR 22 HG23 THR 22 0.199 30.539 -3.015
178 H GLU 23 H GLU 23 1.365 29.261 -4.782
179 HA GLU 23 HA GLU 23 0.432 27.145 -6.333
180 HB2 GLU 23 HB2 GLU 23 0.544 29.538 -7.039
181 HB3 GLU 23 HB3 GLU 23 2.279 29.354 -7.249
182 HG2 GLU 23 HG2 GLU 23 2.046 27.983 -9.095
183 HG3 GLU 23 HG3 GLU 23 0.393 27.533 -8.677
184 H MET 24 H MET 24 3.758 28.127 -5.604
185 HA MET 24 HA MET 24 5.024 26.215 -7.247
186 HB2 MET 24 HB2 MET 24 5.905 27.834 -4.877
187 HB3 MET 24 HB3 MET 24 6.969 26.620 -5.574
188 HG2 MET 24 HG2 MET 24 5.744 28.855 -7.165
189 HG3 MET 24 HG3 MET 24 7.318 28.964 -6.380
190 HE1 MET 24 HE1 MET 24 9.382 28.563 -8.944
191 HE2 MET 24 HE2 MET 24 8.003 29.090 -9.909
192 HE3 MET 24 HE3 MET 24 8.229 29.718 -8.276
193 H VAL 25 H VAL 25 3.953 26.141 -3.887
194 HA VAL 25 HA VAL 25 5.148 23.682 -3.186
195 HB VAL 25 HB VAL 25 2.669 24.987 -2.054
196 HG11 VAL 25 HG11 VAL 25 4.398 22.784 -0.933
197 HG12 VAL 25 HG12 VAL 25 3.084 23.592 -0.076
198 HG13 VAL 25 HG13 VAL 25 2.739 22.621 -1.507
199 HG21 VAL 25 HG21 VAL 25 3.986 26.260 -0.735
200 HG22 VAL 25 HG22 VAL 25 5.216 25.007 -0.570
201 HG23 VAL 25 HG23 VAL 25 5.166 26.007 -2.021
202 H HIS 26 H HIS 26 1.837 24.457 -4.243
203 HA HIS 26 HA HIS 26 0.882 21.812 -4.237
204 HB2 HIS 26 HB2 HIS 26 -0.359 24.127 -4.478
205 HB3 HIS 26 HB3 HIS 26 -0.171 23.808 -6.200
206 HD1 HIS 26 HD1 HIS 26 -2.399 23.054 -6.973
207 HD2 HIS 26 HD2 HIS 26 -1.322 21.276 -3.376
208 HE1 HIS 26 HE1 HIS 26 -4.227 21.403 -6.466
209 H ARG 27 H ARG 27 2.316 23.782 -6.812
210 HA ARG 27 HA ARG 27 2.017 21.868 -8.868
211 HB2 ARG 27 HB2 ARG 27 2.411 24.150 -9.469
212 HB3 ARG 27 HB3 ARG 27 3.901 24.201 -8.538
213 HG2 ARG 27 HG2 ARG 27 4.894 22.567 -10.098
214 HG3 ARG 27 HG3 ARG 27 3.413 22.628 -11.057
215 HD2 ARG 27 HD2 ARG 27 3.798 24.810 -11.745
216 HD3 ARG 27 HD3 ARG 27 4.889 25.145 -10.402
217 HE ARG 27 HE ARG 27 5.900 23.137 -12.171
218 HH11 ARG 27 HH11 ARG 27 5.575 26.568 -11.676
219 HH12 ARG 27 HH12 ARG 27 6.957 26.969 -12.641
220 HH21 ARG 27 HH21 ARG 27 7.721 23.653 -13.443
221 HH22 ARG 27 HH22 ARG 27 8.176 25.311 -13.647
222 H CYS 28 H CYS 28 4.588 22.507 -6.540
223 HA CYS 28 HA CYS 28 6.538 20.805 -7.624
224 HB2 CYS 28 HB2 CYS 28 6.989 22.490 -5.869
225 HB3 CYS 28 HB3 CYS 28 6.088 21.511 -4.716
226 H GLU 29 H GLU 29 4.189 20.197 -5.012
227 HA GLU 29 HA GLU 29 4.838 17.541 -4.524
228 HB2 GLU 29 HB2 GLU 29 2.224 19.021 -4.272
229 HB3 GLU 29 HB3 GLU 29 2.421 17.355 -3.748
230 HG2 GLU 29 HG2 GLU 29 4.478 18.412 -2.448
231 HG3 GLU 29 HG3 GLU 29 3.473 19.855 -2.566
232 H LYS 30 H LYS 30 2.360 18.843 -6.721
233 HA LYS 30 HA LYS 30 1.378 16.444 -7.709
234 HB2 LYS 30 HB2 LYS 30 1.546 19.226 -8.777
235 HB3 LYS 30 HB3 LYS 30 1.067 17.939 -9.877
236 HG2 LYS 30 HG2 LYS 30 -0.649 17.327 -8.049
237 HG3 LYS 30 HG3 LYS 30 -0.331 18.952 -7.436
238 HD2 LYS 30 HD2 LYS 30 -0.919 18.618 -10.336
239 HD3 LYS 30 HD3 LYS 30 -2.253 18.491 -9.187
240 HE2 LYS 30 HE2 LYS 30 -2.302 20.738 -9.608
241 HE3 LYS 30 HE3 LYS 30 -1.198 20.708 -8.235
242 HZ1 LYS 30 HZ1 LYS 30 -0.681 21.361 -11.009
243 HZ2 LYS 30 HZ2 LYS 30 0.498 20.396 -10.273
244 HZ3 LYS 30 HZ3 LYS 30 0.097 21.898 -9.606
245 H LYS 31 H LYS 31 4.257 18.243 -8.620
246 HA LYS 31 HA LYS 31 4.865 16.726 -10.942
247 HB2 LYS 31 HB2 LYS 31 6.497 18.524 -9.161
248 HB3 LYS 31 HB3 LYS 31 7.211 17.683 -10.531
249 HG2 LYS 31 HG2 LYS 31 4.805 19.448 -10.835
250 HG3 LYS 31 HG3 LYS 31 6.451 20.083 -10.890
251 HD2 LYS 31 HD2 LYS 31 6.981 18.648 -12.764
252 HD3 LYS 31 HD3 LYS 31 5.393 17.884 -12.666
253 HE2 LYS 31 HE2 LYS 31 5.852 20.814 -13.212
254 HE3 LYS 31 HE3 LYS 31 5.583 19.597 -14.460
255 HZ1 LYS 31 HZ1 LYS 31 3.586 19.521 -12.414
256 HZ2 LYS 31 HZ2 LYS 31 3.404 19.632 -14.092
257 HZ3 LYS 31 HZ3 LYS 31 3.654 21.031 -13.174
258 H CYS 32 H CYS 32 6.207 16.647 -7.640
259 HA CYS 32 HA CYS 32 7.957 14.522 -7.969
260 HB2 CYS 32 HB2 CYS 32 6.408 15.500 -5.579
261 HB3 CYS 32 HB3 CYS 32 7.515 14.136 -5.464
262 H GLU 33 H GLU 33 4.496 14.526 -7.653
263 HA GLU 33 HA GLU 33 4.229 11.758 -6.995
264 HB2 GLU 33 HB2 GLU 33 2.288 13.820 -8.033
265 HB3 GLU 33 HB3 GLU 33 1.822 12.154 -7.721
266 HG2 GLU 33 HG2 GLU 33 2.426 12.397 -5.384
267 HG3 GLU 33 HG3 GLU 33 2.962 14.050 -5.681
268 H GLU 34 H GLU 34 3.643 13.601 -9.991
269 HA GLU 34 HA GLU 34 3.123 11.355 -11.606
270 HB2 GLU 34 HB2 GLU 34 3.591 12.904 -13.510
271 HB3 GLU 34 HB3 GLU 34 2.429 13.528 -12.348
272 HG2 GLU 34 HG2 GLU 34 4.187 14.894 -11.330
273 HG3 GLU 34 HG3 GLU 34 5.337 14.284 -12.519
274 H LYS 35 H LYS 35 6.099 13.131 -10.915
275 HA LYS 35 HA LYS 35 7.736 11.730 -12.751
276 HB2 LYS 35 HB2 LYS 35 8.052 13.802 -10.809
277 HB3 LYS 35 HB3 LYS 35 9.299 12.592 -10.537
278 HG2 LYS 35 HG2 LYS 35 9.976 12.775 -12.886
279 HG3 LYS 35 HG3 LYS 35 8.744 14.014 -13.133
280 HD2 LYS 35 HD2 LYS 35 9.968 15.146 -11.087
281 HD3 LYS 35 HD3 LYS 35 11.319 14.157 -11.644
282 HE2 LYS 35 HE2 LYS 35 11.212 15.160 -13.832
283 HE3 LYS 35 HE3 LYS 35 9.752 16.048 -13.395
284 HZ1 LYS 35 HZ1 LYS 35 10.990 17.671 -12.575
285 HZ2 LYS 35 HZ2 LYS 35 12.385 16.871 -13.100
286 HZ3 LYS 35 HZ3 LYS 35 11.797 16.608 -11.535
287 H PHE 36 H PHE 36 6.354 10.823 -9.788
288 HA PHE 36 HA PHE 36 8.371 8.968 -8.957
289 HB2 PHE 36 HB2 PHE 36 6.168 10.100 -7.755
290 HB3 PHE 36 HB3 PHE 36 5.648 8.438 -8.014
291 HD1 PHE 36 HD1 PHE 36 8.249 10.543 -6.449
292 HD2 PHE 36 HD2 PHE 36 6.472 6.682 -6.681
293 HE1 PHE 36 HE1 PHE 36 9.513 9.845 -4.457
294 HE2 PHE 36 HE2 PHE 36 7.732 5.979 -4.689
295 HZ PHE 36 HZ PHE 36 9.254 7.561 -3.573
296 H GLU 37 H GLU 37 5.232 8.679 -10.592
297 HA GLU 37 HA GLU 37 5.233 5.881 -10.836
298 HB2 GLU 37 HB2 GLU 37 3.938 7.938 -12.635
299 HB3 GLU 37 HB3 GLU 37 3.550 6.224 -12.602
300 HG2 GLU 37 HG2 GLU 37 2.807 6.445 -10.278
301 HG3 GLU 37 HG3 GLU 37 3.169 8.169 -10.337
302 H ARG 38 H ARG 38 6.959 8.326 -12.537
303 HA ARG 38 HA ARG 38 7.488 6.761 -14.888
304 HB2 ARG 38 HB2 ARG 38 7.532 9.369 -14.538
305 HB3 ARG 38 HB3 ARG 38 9.199 9.071 -14.065
306 HG2 ARG 38 HG2 ARG 38 9.426 7.828 -16.280
307 HG3 ARG 38 HG3 ARG 38 7.896 8.589 -16.720
308 HD2 ARG 38 HD2 ARG 38 8.819 10.759 -16.548
309 HD3 ARG 38 HD3 ARG 38 10.262 10.159 -15.734
310 HE ARG 38 HE ARG 38 9.830 10.316 -18.540
311 HH11 ARG 38 HH11 ARG 38 11.376 8.416 -16.066
312 HH12 ARG 38 HH12 ARG 38 12.601 7.797 -17.123
313 HH21 ARG 38 HH21 ARG 38 11.438 9.509 -19.942
314 HH22 ARG 38 HH22 ARG 38 12.636 8.420 -19.328
315 H GLN 39 H GLN 39 9.169 5.438 -15.300
316 HA GLN 39 HA GLN 39 11.386 5.333 -13.384
317 HB2 GLN 39 HB2 GLN 39 9.352 3.304 -13.780
318 HB3 GLN 39 HB3 GLN 39 10.958 2.675 -14.121
319 HG2 GLN 39 HG2 GLN 39 11.602 3.746 -11.862
320 HG3 GLN 39 HG3 GLN 39 9.865 3.768 -11.565
321 HE21 GLN 39 HE21 GLN 39 12.683 1.951 -11.424
322 HE22 GLN 39 HE22 GLN 39 11.978 0.410 -11.086
323 H GLN 40 H GLN 40 13.204 3.941 -14.233
324 HA GLN 40 HA GLN 40 13.325 3.559 -17.087
325 HB2 GLN 40 HB2 GLN 40 15.023 5.130 -17.592
326 HB3 GLN 40 HB3 GLN 40 13.794 6.020 -16.703
327 HG2 GLN 40 HG2 GLN 40 15.168 5.726 -14.648
328 HG3 GLN 40 HG3 GLN 40 16.429 5.018 -15.656
329 HE21 GLN 40 HE21 GLN 40 17.914 6.615 -15.216
330 HE22 GLN 40 HE22 GLN 40 17.764 8.226 -15.819
331 H ARG 41 H ARG 41 15.488 2.702 -17.757
332 HA ARG 41 HA ARG 41 17.101 1.584 -15.611
333 HB2 ARG 41 HB2 ARG 41 15.213 0.018 -17.255
334 HB3 ARG 41 HB3 ARG 41 16.830 -0.660 -17.118
335 HG2 ARG 41 HG2 ARG 41 16.624 -0.507 -14.648
336 HG3 ARG 41 HG3 ARG 41 14.952 0.014 -14.866
337 HD2 ARG 41 HD2 ARG 41 14.934 -2.332 -14.426
338 HD3 ARG 41 HD3 ARG 41 14.538 -2.099 -16.128
339 HE ARG 41 HE ARG 41 17.256 -2.483 -16.057
340 HH11 ARG 41 HH11 ARG 41 14.443 -4.273 -15.057
341 HH12 ARG 41 HH12 ARG 41 15.181 -5.821 -15.299
342 HH21 ARG 41 HH21 ARG 41 18.239 -4.516 -16.380
343 HH22 ARG 41 HH22 ARG 41 17.341 -5.958 -16.050
Start of MODEL 4
1 H1 SER 1 H SER 1 7.403 -8.456 -0.031
2 HA SER 1 HA SER 1 5.871 -6.633 -1.528
3 HB2 SER 1 HB2 SER 1 5.855 -7.271 1.044
4 HB3 SER 1 HB3 SER 1 6.903 -5.858 1.168
5 HG SER 1 HG SER 1 5.217 -4.645 0.909
6 H GLU 2 H GLU 2 6.171 -4.266 -1.581
7 HA GLU 2 HA GLU 2 8.877 -3.263 -1.395
8 HB2 GLU 2 HB2 GLU 2 8.433 -2.387 -3.900
9 HB3 GLU 2 HB3 GLU 2 9.330 -3.854 -3.536
10 HG2 GLU 2 HG2 GLU 2 7.614 -5.233 -4.188
11 HG3 GLU 2 HG3 GLU 2 6.379 -4.007 -3.907
12 H LYS 3 H LYS 3 8.988 -0.926 -1.883
13 HA LYS 3 HA LYS 3 6.492 0.526 -2.016
14 HB2 LYS 3 HB2 LYS 3 8.034 0.217 0.507
15 HB3 LYS 3 HB3 LYS 3 7.402 1.818 0.145
16 HG2 LYS 3 HG2 LYS 3 5.180 0.468 -0.287
17 HG3 LYS 3 HG3 LYS 3 5.958 -0.696 0.789
18 HD2 LYS 3 HD2 LYS 3 5.801 2.205 1.525
19 HD3 LYS 3 HD3 LYS 3 4.431 1.129 1.807
20 HE2 LYS 3 HE2 LYS 3 5.566 0.998 3.814
21 HE3 LYS 3 HE3 LYS 3 6.204 -0.395 2.943
22 HZ1 LYS 3 HZ1 LYS 3 8.213 0.438 3.285
23 HZ2 LYS 3 HZ2 LYS 3 7.586 1.863 3.944
24 HZ3 LYS 3 HZ3 LYS 3 7.826 1.738 2.274
25 HA PRO 4 HA PRO 4 10.158 2.595 -3.965
26 HB2 PRO 4 HB2 PRO 4 8.895 3.140 -6.305
27 HB3 PRO 4 HB3 PRO 4 9.719 1.608 -5.992
28 HG2 PRO 4 HG2 PRO 4 6.802 2.258 -5.825
29 HG3 PRO 4 HG3 PRO 4 7.591 0.826 -6.510
30 HD2 PRO 4 HD2 PRO 4 6.460 0.830 -4.050
31 HD3 PRO 4 HD3 PRO 4 7.883 -0.155 -4.445
32 H GLN 5 H GLN 5 7.002 3.418 -3.038
33 HA GLN 5 HA GLN 5 6.959 6.119 -3.959
34 HB2 GLN 5 HB2 GLN 5 5.392 4.875 -1.694
35 HB3 GLN 5 HB3 GLN 5 5.016 6.381 -2.520
36 HG2 GLN 5 HG2 GLN 5 4.570 5.185 -4.572
37 HG3 GLN 5 HG3 GLN 5 5.039 3.664 -3.814
38 HE21 GLN 5 HE21 GLN 5 2.839 3.121 -4.633
39 HE22 GLN 5 HE22 GLN 5 1.502 3.421 -3.581
40 H GLN 6 H GLN 6 8.744 4.585 -1.594
41 HA GLN 6 HA GLN 6 8.775 6.342 0.553
42 HB2 GLN 6 HB2 GLN 6 10.844 4.520 -0.629
43 HB3 GLN 6 HB3 GLN 6 11.255 5.567 0.723
44 HG2 GLN 6 HG2 GLN 6 8.955 3.633 0.769
45 HG3 GLN 6 HG3 GLN 6 10.580 3.232 1.323
46 HE21 GLN 6 HE21 GLN 6 11.431 5.241 2.744
47 HE22 GLN 6 HE22 GLN 6 10.378 5.617 4.060
48 H GLU 7 H GLU 7 10.259 6.619 -2.598
49 HA GLU 7 HA GLU 7 11.960 8.817 -1.916
50 HB2 GLU 7 HB2 GLU 7 11.307 7.268 -4.321
51 HB3 GLU 7 HB3 GLU 7 11.640 8.965 -4.638
52 HG2 GLU 7 HG2 GLU 7 13.469 7.149 -3.088
53 HG3 GLU 7 HG3 GLU 7 13.617 7.472 -4.815
54 H LEU 8 H LEU 8 8.724 8.459 -3.233
55 HA LEU 8 HA LEU 8 8.285 11.060 -4.131
56 HB2 LEU 8 HB2 LEU 8 6.793 9.097 -4.488
57 HB3 LEU 8 HB3 LEU 8 6.261 9.256 -2.815
58 HG LEU 8 HG LEU 8 5.312 11.453 -3.324
59 HD11 LEU 8 HD11 LEU 8 5.199 12.273 -5.598
60 HD12 LEU 8 HD12 LEU 8 6.126 10.887 -6.171
61 HD13 LEU 8 HD13 LEU 8 6.882 12.075 -5.110
62 HD21 LEU 8 HD21 LEU 8 4.334 8.974 -4.090
63 HD22 LEU 8 HD22 LEU 8 4.052 10.006 -5.493
64 HD23 LEU 8 HD23 LEU 8 3.408 10.465 -3.916
65 H GLU 9 H GLU 9 7.665 9.655 -0.922
66 HA GLU 9 HA GLU 9 6.551 11.841 0.335
67 HB2 GLU 9 HB2 GLU 9 8.261 9.583 1.308
68 HB3 GLU 9 HB3 GLU 9 7.820 10.876 2.414
69 HG2 GLU 9 HG2 GLU 9 5.440 10.440 1.909
70 HG3 GLU 9 HG3 GLU 9 5.936 9.076 0.910
71 H GLU 10 H GLU 10 9.924 11.197 -0.396
72 HA GLU 10 HA GLU 10 10.975 13.332 1.174
73 HB2 GLU 10 HB2 GLU 10 12.288 12.042 -1.216
74 HB3 GLU 10 HB3 GLU 10 13.073 12.862 0.126
75 HG2 GLU 10 HG2 GLU 10 11.872 10.978 1.525
76 HG3 GLU 10 HG3 GLU 10 11.921 10.133 -0.021
77 H CYS 11 H CYS 11 10.104 12.961 -2.233
78 HA CYS 11 HA CYS 11 11.055 15.447 -3.132
79 HB2 CYS 11 HB2 CYS 11 10.160 13.368 -4.450
80 HB3 CYS 11 HB3 CYS 11 8.606 14.184 -4.313
81 H GLN 12 H GLN 12 7.773 14.474 -2.142
82 HA GLN 12 HA GLN 12 6.603 17.011 -2.417
83 HB2 GLN 12 HB2 GLN 12 5.796 14.807 -0.512
84 HB3 GLN 12 HB3 GLN 12 4.780 16.135 -1.060
85 HG2 GLN 12 HG2 GLN 12 5.227 15.206 -3.421
86 HG3 GLN 12 HG3 GLN 12 5.737 13.745 -2.578
87 HE21 GLN 12 HE21 GLN 12 3.184 15.273 -3.988
88 HE22 GLN 12 HE22 GLN 12 1.887 14.414 -3.239
89 H ASN 13 H ASN 13 8.110 15.420 0.366
90 HA ASN 13 HA ASN 13 7.517 17.301 2.324
91 HB2 ASN 13 HB2 ASN 13 9.704 15.301 1.943
92 HB3 ASN 13 HB3 ASN 13 9.869 16.489 3.234
93 HD21 ASN 13 HD21 ASN 13 9.821 14.076 4.132
94 HD22 ASN 13 HD22 ASN 13 8.288 13.625 4.789
95 H VAL 14 H VAL 14 10.121 17.254 -0.057
96 HA VAL 14 HA VAL 14 11.503 19.517 0.963
97 HB VAL 14 HB VAL 14 11.527 18.357 -1.827
98 HG11 VAL 14 HG11 VAL 14 12.804 20.694 -0.665
99 HG12 VAL 14 HG12 VAL 14 13.967 19.556 -1.349
100 HG13 VAL 14 HG13 VAL 14 12.668 20.201 -2.353
101 HG21 VAL 14 HG21 VAL 14 12.963 16.794 -1.121
102 HG22 VAL 14 HG22 VAL 14 13.849 17.934 -0.109
103 HG23 VAL 14 HG23 VAL 14 12.377 17.175 0.498
104 H CYS 15 H CYS 15 9.000 19.082 -1.490
105 HA CYS 15 HA CYS 15 9.005 21.665 -2.559
106 HB2 CYS 15 HB2 CYS 15 6.674 19.765 -2.224
107 HB3 CYS 15 HB3 CYS 15 6.697 21.170 -3.284
108 H ARG 16 H ARG 16 7.178 20.319 0.169
109 HA ARG 16 HA ARG 16 5.720 22.663 0.753
110 HB2 ARG 16 HB2 ARG 16 6.523 20.441 2.640
111 HB3 ARG 16 HB3 ARG 16 5.233 21.608 2.900
112 HG2 ARG 16 HG2 ARG 16 3.806 20.558 1.486
113 HG3 ARG 16 HG3 ARG 16 5.099 19.980 0.433
114 HD2 ARG 16 HD2 ARG 16 5.737 18.461 2.410
115 HD3 ARG 16 HD3 ARG 16 4.132 18.841 3.034
116 HE ARG 16 HE ARG 16 4.772 17.140 0.797
117 HH11 ARG 16 HH11 ARG 16 2.325 19.073 2.345
118 HH12 ARG 16 HH12 ARG 16 1.005 18.226 1.608
119 HH21 ARG 16 HH21 ARG 16 3.043 16.017 -0.179
120 HH22 ARG 16 HH22 ARG 16 1.415 16.488 0.173
121 H MET 17 H MET 17 8.982 21.764 1.342
122 HA MET 17 HA MET 17 9.360 23.662 3.501
123 HB2 MET 17 HB2 MET 17 10.937 21.521 2.237
124 HB3 MET 17 HB3 MET 17 11.876 22.913 2.759
125 HG2 MET 17 HG2 MET 17 9.967 22.031 4.763
126 HG3 MET 17 HG3 MET 17 11.125 20.780 4.316
127 HE1 MET 17 HE1 MET 17 11.200 24.741 5.846
128 HE2 MET 17 HE2 MET 17 10.158 23.407 6.344
129 HE3 MET 17 HE3 MET 17 11.560 23.845 7.322
130 H LYS 18 H LYS 18 8.933 24.014 0.306
131 HA LYS 18 HA LYS 18 11.084 25.775 -0.372
132 HB2 LYS 18 HB2 LYS 18 8.399 25.305 -1.677
133 HB3 LYS 18 HB3 LYS 18 9.670 26.310 -2.360
134 HG2 LYS 18 HG2 LYS 18 9.813 23.350 -1.827
135 HG3 LYS 18 HG3 LYS 18 9.690 24.139 -3.402
136 HD2 LYS 18 HD2 LYS 18 11.866 25.309 -2.828
137 HD3 LYS 18 HD3 LYS 18 11.999 24.188 -1.471
138 HE2 LYS 18 HE2 LYS 18 13.260 23.315 -3.318
139 HE3 LYS 18 HE3 LYS 18 11.834 22.306 -3.081
140 HZ1 LYS 18 HZ1 LYS 18 11.948 24.501 -5.069
141 HZ2 LYS 18 HZ2 LYS 18 10.780 23.286 -4.938
142 HZ3 LYS 18 HZ3 LYS 18 12.349 22.900 -5.439
143 H ARG 19 H ARG 19 11.058 28.018 -0.559
144 HA ARG 19 HA ARG 19 9.136 29.342 1.202
145 HB2 ARG 19 HB2 ARG 19 11.777 29.570 1.210
146 HB3 ARG 19 HB3 ARG 19 11.445 30.783 -0.018
147 HG2 ARG 19 HG2 ARG 19 9.915 31.904 1.586
148 HG3 ARG 19 HG3 ARG 19 10.428 30.745 2.813
149 HD2 ARG 19 HD2 ARG 19 12.828 31.567 2.048
150 HD3 ARG 19 HD3 ARG 19 11.917 33.001 1.579
151 HE ARG 19 HE ARG 19 11.301 32.173 4.235
152 HH11 ARG 19 HH11 ARG 19 13.658 33.860 2.307
153 HH12 ARG 19 HH12 ARG 19 14.221 34.841 3.619
154 HH21 ARG 19 HH21 ARG 19 12.035 33.458 5.971
155 HH22 ARG 19 HH22 ARG 19 13.298 34.611 5.703
156 H TRP 20 H TRP 20 8.411 28.483 -1.501
157 HA TRP 20 HA TRP 20 8.015 31.074 -2.830
158 HB2 TRP 20 HB2 TRP 20 8.118 28.248 -3.812
159 HB3 TRP 20 HB3 TRP 20 7.193 29.439 -4.723
160 HD1 TRP 20 HD1 TRP 20 8.518 31.019 -6.294
161 HE1 TRP 20 HE1 TRP 20 11.012 31.353 -6.834
162 HE3 TRP 20 HE3 TRP 20 10.544 28.125 -2.598
163 HZ2 TRP 20 HZ2 TRP 20 13.508 30.503 -5.827
164 HZ3 TRP 20 HZ3 TRP 20 12.994 27.938 -2.457
165 HH2 TRP 20 HH2 TRP 20 14.443 29.102 -4.039
166 H SER 21 H SER 21 5.855 31.053 -4.156
167 HA SER 21 HA SER 21 3.748 31.131 -2.292
168 HB2 SER 21 HB2 SER 21 2.303 31.591 -4.234
169 HB3 SER 21 HB3 SER 21 3.786 32.543 -4.301
170 HG SER 21 HG SER 21 4.468 31.403 -5.978
171 H THR 22 H THR 22 1.696 29.946 -2.440
172 HA THR 22 HA THR 22 1.974 27.227 -2.086
173 HB THR 22 HB THR 22 -0.003 28.427 -1.317
174 HG1 THR 22 HG1 THR 22 -1.097 26.620 -1.469
175 HG21 THR 22 HG21 THR 22 -0.163 29.852 -3.415
176 HG22 THR 22 HG22 THR 22 -1.687 29.263 -2.752
177 HG23 THR 22 HG23 THR 22 -0.979 28.480 -4.164
178 H GLU 23 H GLU 23 1.484 29.015 -5.045
179 HA GLU 23 HA GLU 23 0.621 26.951 -6.721
180 HB2 GLU 23 HB2 GLU 23 2.025 29.549 -7.132
181 HB3 GLU 23 HB3 GLU 23 1.984 28.411 -8.472
182 HG2 GLU 23 HG2 GLU 23 -0.418 28.399 -8.457
183 HG3 GLU 23 HG3 GLU 23 -0.450 29.404 -7.010
184 H MET 24 H MET 24 3.912 28.044 -5.950
185 HA MET 24 HA MET 24 5.243 26.200 -7.618
186 HB2 MET 24 HB2 MET 24 6.022 27.947 -5.333
187 HB3 MET 24 HB3 MET 24 7.127 26.661 -5.799
188 HG2 MET 24 HG2 MET 24 6.053 28.539 -7.856
189 HG3 MET 24 HG3 MET 24 7.396 29.019 -6.821
190 HE1 MET 24 HE1 MET 24 7.800 27.386 -10.706
191 HE2 MET 24 HE2 MET 24 6.709 28.515 -9.902
192 HE3 MET 24 HE3 MET 24 8.425 28.899 -10.049
193 H VAL 25 H VAL 25 4.415 26.102 -4.167
194 HA VAL 25 HA VAL 25 5.635 23.659 -3.554
195 HB VAL 25 HB VAL 25 3.137 24.825 -2.318
196 HG11 VAL 25 HG11 VAL 25 5.115 22.846 -1.191
197 HG12 VAL 25 HG12 VAL 25 3.685 23.483 -0.376
198 HG13 VAL 25 HG13 VAL 25 3.507 22.447 -1.793
199 HG21 VAL 25 HG21 VAL 25 6.045 25.372 -1.938
200 HG22 VAL 25 HG22 VAL 25 4.686 26.496 -1.984
201 HG23 VAL 25 HG23 VAL 25 4.955 25.494 -0.557
202 H HIS 26 H HIS 26 2.263 24.340 -4.476
203 HA HIS 26 HA HIS 26 1.360 21.689 -4.443
204 HB2 HIS 26 HB2 HIS 26 0.123 24.034 -4.765
205 HB3 HIS 26 HB3 HIS 26 0.219 23.560 -6.458
206 HD1 HIS 26 HD1 HIS 26 -2.121 22.868 -6.959
207 HD2 HIS 26 HD2 HIS 26 -0.701 21.177 -3.440
208 HE1 HIS 26 HE1 HIS 26 -3.898 21.245 -6.228
209 H ARG 27 H ARG 27 2.416 23.664 -7.219
210 HA ARG 27 HA ARG 27 2.212 21.707 -9.178
211 HB2 ARG 27 HB2 ARG 27 3.935 24.145 -8.884
212 HB3 ARG 27 HB3 ARG 27 4.157 23.069 -10.257
213 HG2 ARG 27 HG2 ARG 27 2.069 23.552 -11.138
214 HG3 ARG 27 HG3 ARG 27 1.446 24.141 -9.595
215 HD2 ARG 27 HD2 ARG 27 2.511 26.183 -9.797
216 HD3 ARG 27 HD3 ARG 27 3.725 25.554 -10.910
217 HE ARG 27 HE ARG 27 1.368 25.348 -12.274
218 HH11 ARG 27 HH11 ARG 27 3.095 27.933 -10.708
219 HH12 ARG 27 HH12 ARG 27 2.496 29.157 -11.779
220 HH21 ARG 27 HH21 ARG 27 0.572 26.949 -13.690
221 HH22 ARG 27 HH22 ARG 27 1.061 28.596 -13.474
222 H CYS 28 H CYS 28 4.972 22.510 -7.095
223 HA CYS 28 HA CYS 28 6.864 20.791 -8.151
224 HB2 CYS 28 HB2 CYS 28 7.365 22.450 -6.412
225 HB3 CYS 28 HB3 CYS 28 6.443 21.511 -5.242
226 H GLU 29 H GLU 29 4.400 20.120 -5.686
227 HA GLU 29 HA GLU 29 5.167 17.447 -5.203
228 HB2 GLU 29 HB2 GLU 29 2.520 18.852 -4.826
229 HB3 GLU 29 HB3 GLU 29 2.848 17.219 -4.265
230 HG2 GLU 29 HG2 GLU 29 4.721 18.140 -2.904
231 HG3 GLU 29 HG3 GLU 29 4.185 19.756 -3.362
232 H LYS 30 H LYS 30 2.943 18.917 -7.504
233 HA LYS 30 HA LYS 30 1.701 16.588 -8.440
234 HB2 LYS 30 HB2 LYS 30 2.080 19.349 -9.436
235 HB3 LYS 30 HB3 LYS 30 1.701 18.138 -10.653
236 HG2 LYS 30 HG2 LYS 30 -0.075 17.705 -8.516
237 HG3 LYS 30 HG3 LYS 30 -0.036 19.446 -8.801
238 HD2 LYS 30 HD2 LYS 30 -0.583 19.125 -11.127
239 HD3 LYS 30 HD3 LYS 30 -0.466 17.373 -10.951
240 HE2 LYS 30 HE2 LYS 30 -2.292 17.737 -9.114
241 HE3 LYS 30 HE3 LYS 30 -2.578 19.247 -9.978
242 HZ1 LYS 30 HZ1 LYS 30 -2.411 17.194 -11.863
243 HZ2 LYS 30 HZ2 LYS 30 -3.761 18.126 -11.453
244 HZ3 LYS 30 HZ3 LYS 30 -3.461 16.672 -10.642
245 H LYS 31 H LYS 31 4.365 18.397 -9.982
246 HA LYS 31 HA LYS 31 4.967 16.591 -11.980
247 HB2 LYS 31 HB2 LYS 31 7.274 17.566 -11.915
248 HB3 LYS 31 HB3 LYS 31 5.984 18.759 -11.983
249 HG2 LYS 31 HG2 LYS 31 6.198 19.094 -9.554
250 HG3 LYS 31 HG3 LYS 31 7.540 17.948 -9.536
251 HD2 LYS 31 HD2 LYS 31 8.425 20.186 -9.589
252 HD3 LYS 31 HD3 LYS 31 8.741 19.412 -11.143
253 HE2 LYS 31 HE2 LYS 31 7.260 20.745 -12.264
254 HE3 LYS 31 HE3 LYS 31 6.237 20.985 -10.848
255 HZ1 LYS 31 HZ1 LYS 31 8.696 22.138 -10.275
256 HZ2 LYS 31 HZ2 LYS 31 7.227 22.928 -10.555
257 HZ3 LYS 31 HZ3 LYS 31 8.291 22.642 -11.838
258 H CYS 32 H CYS 32 6.142 16.656 -8.641
259 HA CYS 32 HA CYS 32 8.026 14.614 -8.801
260 HB2 CYS 32 HB2 CYS 32 6.279 15.597 -6.556
261 HB3 CYS 32 HB3 CYS 32 7.402 14.262 -6.320
262 H GLU 33 H GLU 33 4.535 14.447 -8.261
263 HA GLU 33 HA GLU 33 4.510 11.608 -7.890
264 HB2 GLU 33 HB2 GLU 33 2.302 13.595 -8.439
265 HB3 GLU 33 HB3 GLU 33 2.023 11.884 -8.141
266 HG2 GLU 33 HG2 GLU 33 3.221 12.198 -5.943
267 HG3 GLU 33 HG3 GLU 33 3.135 13.932 -6.248
268 H GLU 34 H GLU 34 3.663 13.785 -10.563
269 HA GLU 34 HA GLU 34 2.761 11.866 -12.372
270 HB2 GLU 34 HB2 GLU 34 4.161 14.497 -12.864
271 HB3 GLU 34 HB3 GLU 34 3.413 13.535 -14.132
272 HG2 GLU 34 HG2 GLU 34 1.335 13.703 -12.482
273 HG3 GLU 34 HG3 GLU 34 2.172 15.181 -12.012
274 H LYS 35 H LYS 35 6.026 13.251 -12.045
275 HA LYS 35 HA LYS 35 7.219 11.622 -14.014
276 HB2 LYS 35 HB2 LYS 35 8.027 13.713 -12.317
277 HB3 LYS 35 HB3 LYS 35 9.087 12.360 -11.942
278 HG2 LYS 35 HG2 LYS 35 10.243 13.432 -13.616
279 HG3 LYS 35 HG3 LYS 35 9.364 12.192 -14.515
280 HD2 LYS 35 HD2 LYS 35 7.545 14.101 -14.680
281 HD3 LYS 35 HD3 LYS 35 8.950 15.140 -14.430
282 HE2 LYS 35 HE2 LYS 35 10.049 14.192 -16.355
283 HE3 LYS 35 HE3 LYS 35 8.754 13.014 -16.560
284 HZ1 LYS 35 HZ1 LYS 35 8.417 14.766 -18.110
285 HZ2 LYS 35 HZ2 LYS 35 8.569 15.953 -16.915
286 HZ3 LYS 35 HZ3 LYS 35 7.228 14.922 -16.916
287 H PHE 36 H PHE 36 6.134 10.915 -10.882
288 HA PHE 36 HA PHE 36 8.008 8.844 -10.255
289 HB2 PHE 36 HB2 PHE 36 6.097 10.232 -8.833
290 HB3 PHE 36 HB3 PHE 36 5.378 8.633 -8.986
291 HD1 PHE 36 HD2 PHE 36 8.167 10.559 -7.608
292 HD2 PHE 36 HD1 PHE 36 6.349 6.721 -7.898
293 HE1 PHE 36 HE2 PHE 36 9.577 9.755 -5.759
294 HE2 PHE 36 HE1 PHE 36 7.756 5.911 -6.049
295 HZ PHE 36 HZ PHE 36 9.374 7.428 -4.978
296 H GLU 37 H GLU 37 5.179 9.069 -12.192
297 HA GLU 37 HA GLU 37 4.207 6.458 -12.103
298 HB2 GLU 37 HB2 GLU 37 3.461 8.684 -13.417
299 HB3 GLU 37 HB3 GLU 37 4.225 7.814 -14.740
300 HG2 GLU 37 HG2 GLU 37 2.685 5.864 -13.663
301 HG3 GLU 37 HG3 GLU 37 1.703 7.293 -13.342
302 H ARG 38 H ARG 38 7.088 7.724 -13.510
303 HA ARG 38 HA ARG 38 7.841 5.040 -14.368
304 HB2 ARG 38 HB2 ARG 38 7.474 7.377 -16.167
305 HB3 ARG 38 HB3 ARG 38 8.882 6.362 -16.451
306 HG2 ARG 38 HG2 ARG 38 7.631 4.564 -17.099
307 HG3 ARG 38 HG3 ARG 38 6.234 5.050 -16.137
308 HD2 ARG 38 HD2 ARG 38 5.813 6.890 -17.711
309 HD3 ARG 38 HD3 ARG 38 7.187 6.360 -18.681
310 HE ARG 38 HE ARG 38 5.587 4.157 -18.500
311 HH11 ARG 38 HH11 ARG 38 5.148 7.439 -19.575
312 HH12 ARG 38 HH12 ARG 38 3.938 7.032 -20.746
313 HH21 ARG 38 HH21 ARG 38 3.995 3.608 -20.039
314 HH22 ARG 38 HH22 ARG 38 3.282 4.852 -21.009
315 H GLN 39 H GLN 39 9.647 4.660 -13.276
316 HA GLN 39 HA GLN 39 11.851 6.543 -13.453
317 HB2 GLN 39 HB2 GLN 39 10.250 6.211 -11.053
318 HB3 GLN 39 HB3 GLN 39 11.937 5.802 -10.767
319 HG2 GLN 39 HG2 GLN 39 11.236 8.338 -12.175
320 HG3 GLN 39 HG3 GLN 39 11.113 8.234 -10.419
321 HE21 GLN 39 HE21 GLN 39 12.850 9.960 -11.775
322 HE22 GLN 39 HE22 GLN 39 14.474 9.487 -11.422
323 H GLN 40 H GLN 40 13.893 5.612 -12.955
324 HA GLN 40 HA GLN 40 13.904 2.710 -13.285
325 HB2 GLN 40 HB2 GLN 40 16.130 2.919 -14.068
326 HB3 GLN 40 HB3 GLN 40 15.242 4.257 -14.784
327 HG2 GLN 40 HG2 GLN 40 16.109 5.682 -12.893
328 HG3 GLN 40 HG3 GLN 40 17.179 4.340 -12.493
329 HE21 GLN 40 HE21 GLN 40 18.640 6.306 -12.935
330 HE22 GLN 40 HE22 GLN 40 19.268 6.416 -14.540
331 H ARG 41 H ARG 41 14.840 5.202 -11.025
332 HA ARG 41 HA ARG 41 16.341 3.408 -9.338
333 HB2 ARG 41 HB2 ARG 41 15.703 6.289 -9.381
334 HB3 ARG 41 HB3 ARG 41 15.892 5.587 -7.780
335 HG2 ARG 41 HG2 ARG 41 17.960 5.036 -9.850
336 HG3 ARG 41 HG3 ARG 41 17.935 6.608 -9.050
337 HD2 ARG 41 HD2 ARG 41 17.914 4.009 -7.537
338 HD3 ARG 41 HD3 ARG 41 19.405 4.826 -8.004
339 HE ARG 41 HE ARG 41 17.974 6.747 -6.713
340 HH11 ARG 41 HH11 ARG 41 19.023 3.528 -5.904
341 HH12 ARG 41 HH12 ARG 41 19.145 3.853 -4.207
342 HH21 ARG 41 HH21 ARG 41 18.131 7.188 -4.481
343 HH22 ARG 41 HH22 ARG 41 18.637 5.936 -3.398
Start of MODEL 5
1 H1 SER 1 H SER 1 5.378 -5.209 1.805
2 HA SER 1 HA SER 1 3.706 -2.971 1.827
3 HB2 SER 1 HB2 SER 1 5.960 -3.825 3.641
4 HB3 SER 1 HB3 SER 1 5.007 -2.374 3.951
5 HG SER 1 HG SER 1 3.743 -4.850 3.500
6 H GLU 2 H GLU 2 7.270 -3.081 1.759
7 HA GLU 2 HA GLU 2 7.624 -0.303 1.457
8 HB2 GLU 2 HB2 GLU 2 9.321 -2.199 2.080
9 HB3 GLU 2 HB3 GLU 2 9.588 -2.271 0.344
10 HG2 GLU 2 HG2 GLU 2 10.022 0.226 0.456
11 HG3 GLU 2 HG3 GLU 2 10.086 0.026 2.206
12 H LYS 3 H LYS 3 8.397 0.853 -0.419
13 HA LYS 3 HA LYS 3 8.046 -0.298 -3.034
14 HB2 LYS 3 HB2 LYS 3 5.987 1.473 -1.818
15 HB3 LYS 3 HB3 LYS 3 6.391 1.745 -3.508
16 HG2 LYS 3 HG2 LYS 3 5.996 -0.779 -3.792
17 HG3 LYS 3 HG3 LYS 3 5.182 -0.675 -2.229
18 HD2 LYS 3 HD2 LYS 3 3.655 0.998 -3.110
19 HD3 LYS 3 HD3 LYS 3 4.501 0.982 -4.659
20 HE2 LYS 3 HE2 LYS 3 3.794 -1.231 -5.123
21 HE3 LYS 3 HE3 LYS 3 3.234 -1.474 -3.469
22 HZ1 LYS 3 HZ1 LYS 3 1.655 0.465 -4.016
23 HZ2 LYS 3 HZ2 LYS 3 1.293 -1.073 -4.619
24 HZ3 LYS 3 HZ3 LYS 3 1.988 0.090 -5.632
25 HA PRO 4 HA PRO 4 10.908 2.817 -4.196
26 HB2 PRO 4 HB2 PRO 4 10.147 3.399 -6.736
27 HB3 PRO 4 HB3 PRO 4 10.935 1.880 -6.293
28 HG2 PRO 4 HG2 PRO 4 8.029 2.449 -6.728
29 HG3 PRO 4 HG3 PRO 4 8.989 1.058 -7.266
30 HD2 PRO 4 HD2 PRO 4 7.368 0.959 -5.099
31 HD3 PRO 4 HD3 PRO 4 8.873 0.024 -5.209
32 H GLN 5 H GLN 5 7.578 3.528 -4.018
33 HA GLN 5 HA GLN 5 7.714 6.277 -4.799
34 HB2 GLN 5 HB2 GLN 5 5.628 4.799 -3.186
35 HB3 GLN 5 HB3 GLN 5 5.444 6.424 -3.832
36 HG2 GLN 5 HG2 GLN 5 5.753 3.879 -5.407
37 HG3 GLN 5 HG3 GLN 5 4.296 4.859 -5.243
38 HE21 GLN 5 HE21 GLN 5 5.981 4.038 -7.581
39 HE22 GLN 5 HE22 GLN 5 6.330 5.515 -8.407
40 H GLN 6 H GLN 6 8.861 4.647 -2.139
41 HA GLN 6 HA GLN 6 8.242 6.246 0.041
42 HB2 GLN 6 HB2 GLN 6 10.655 4.600 -0.655
43 HB3 GLN 6 HB3 GLN 6 10.608 5.537 0.832
44 HG2 GLN 6 HG2 GLN 6 8.320 3.744 0.239
45 HG3 GLN 6 HG3 GLN 6 9.845 3.016 0.743
46 HE21 GLN 6 HE21 GLN 6 7.081 3.491 1.987
47 HE22 GLN 6 HE22 GLN 6 7.452 4.099 3.561
48 H GLU 7 H GLU 7 10.522 6.777 -2.561
49 HA GLU 7 HA GLU 7 11.880 8.964 -1.336
50 HB2 GLU 7 HB2 GLU 7 11.977 7.534 -3.857
51 HB3 GLU 7 HB3 GLU 7 12.128 9.269 -4.100
52 HG2 GLU 7 HG2 GLU 7 13.815 7.680 -2.184
53 HG3 GLU 7 HG3 GLU 7 14.288 8.075 -3.835
54 H LEU 8 H LEU 8 9.076 8.646 -3.424
55 HA LEU 8 HA LEU 8 8.739 11.258 -4.267
56 HB2 LEU 8 HB2 LEU 8 7.374 9.367 -5.023
57 HB3 LEU 8 HB3 LEU 8 6.595 9.304 -3.443
58 HG LEU 8 HG LEU 8 5.566 11.468 -3.835
59 HD11 LEU 8 HD11 LEU 8 6.869 11.401 -6.551
60 HD12 LEU 8 HD12 LEU 8 7.394 12.414 -5.207
61 HD13 LEU 8 HD13 LEU 8 5.797 12.650 -5.918
62 HD21 LEU 8 HD21 LEU 8 4.121 9.834 -4.552
63 HD22 LEU 8 HD22 LEU 8 5.207 9.275 -5.824
64 HD23 LEU 8 HD23 LEU 8 4.309 10.780 -6.028
65 H GLU 9 H GLU 9 7.561 9.751 -1.269
66 HA GLU 9 HA GLU 9 6.176 11.882 -0.194
67 HB2 GLU 9 HB2 GLU 9 7.752 9.658 1.068
68 HB3 GLU 9 HB3 GLU 9 6.981 10.885 2.062
69 HG2 GLU 9 HG2 GLU 9 5.335 9.526 0.003
70 HG3 GLU 9 HG3 GLU 9 5.778 8.621 1.449
71 H GLU 10 H GLU 10 9.645 11.269 -0.193
72 HA GLU 10 HA GLU 10 10.326 13.388 1.573
73 HB2 GLU 10 HB2 GLU 10 12.041 12.060 -0.533
74 HB3 GLU 10 HB3 GLU 10 12.619 13.028 0.816
75 HG2 GLU 10 HG2 GLU 10 10.977 10.581 1.306
76 HG3 GLU 10 HG3 GLU 10 12.703 10.454 0.970
77 H CYS 11 H CYS 11 10.068 13.114 -1.935
78 HA CYS 11 HA CYS 11 11.165 15.622 -2.587
79 HB2 CYS 11 HB2 CYS 11 10.534 13.582 -4.099
80 HB3 CYS 11 HB3 CYS 11 8.972 14.386 -4.216
81 H GLN 12 H GLN 12 7.756 14.627 -2.274
82 HA GLN 12 HA GLN 12 6.688 17.212 -2.629
83 HB2 GLN 12 HB2 GLN 12 5.462 14.888 -1.135
84 HB3 GLN 12 HB3 GLN 12 4.604 16.279 -1.785
85 HG2 GLN 12 HG2 GLN 12 5.572 15.519 -4.055
86 HG3 GLN 12 HG3 GLN 12 5.845 13.982 -3.235
87 HE21 GLN 12 HE21 GLN 12 3.661 15.838 -4.948
88 HE22 GLN 12 HE22 GLN 12 2.230 14.924 -4.630
89 H ASN 13 H ASN 13 7.604 15.392 0.259
90 HA ASN 13 HA ASN 13 6.577 17.079 2.211
91 HB2 ASN 13 HB2 ASN 13 8.868 15.160 2.111
92 HB3 ASN 13 HB3 ASN 13 8.714 16.219 3.510
93 HD21 ASN 13 HD21 ASN 13 8.342 14.420 4.834
94 HD22 ASN 13 HD22 ASN 13 6.816 13.609 4.846
95 H VAL 14 H VAL 14 9.738 17.191 0.597
96 HA VAL 14 HA VAL 14 10.737 19.418 2.010
97 HB VAL 14 HB VAL 14 11.451 18.460 -0.765
98 HG11 VAL 14 HG11 VAL 14 12.351 20.581 -0.710
99 HG12 VAL 14 HG12 VAL 14 12.624 20.536 1.033
100 HG13 VAL 14 HG13 VAL 14 13.673 19.620 -0.049
101 HG21 VAL 14 HG21 VAL 14 11.757 17.110 1.588
102 HG22 VAL 14 HG22 VAL 14 12.758 16.886 0.154
103 HG23 VAL 14 HG23 VAL 14 13.298 17.956 1.448
104 H CYS 15 H CYS 15 8.971 19.141 -1.046
105 HA CYS 15 HA CYS 15 9.131 21.770 -1.913
106 HB2 CYS 15 HB2 CYS 15 6.885 19.769 -2.205
107 HB3 CYS 15 HB3 CYS 15 6.945 21.303 -3.067
108 H ARG 16 H ARG 16 6.795 20.289 0.305
109 HA ARG 16 HA ARG 16 5.201 22.587 0.669
110 HB2 ARG 16 HB2 ARG 16 5.644 20.294 2.588
111 HB3 ARG 16 HB3 ARG 16 4.306 21.435 2.627
112 HG2 ARG 16 HG2 ARG 16 3.221 20.439 0.902
113 HG3 ARG 16 HG3 ARG 16 4.713 19.911 0.122
114 HD2 ARG 16 HD2 ARG 16 4.953 18.310 2.111
115 HD3 ARG 16 HD3 ARG 16 3.257 18.668 2.433
116 HE ARG 16 HE ARG 16 3.800 17.840 -0.272
117 HH11 ARG 16 HH11 ARG 16 3.023 16.804 2.959
118 HH12 ARG 16 HH12 ARG 16 2.331 15.299 2.451
119 HH21 ARG 16 HH21 ARG 16 2.892 15.862 -0.955
120 HH22 ARG 16 HH22 ARG 16 2.258 14.764 0.224
121 H MET 17 H MET 17 8.305 21.747 1.833
122 HA MET 17 HA MET 17 8.184 23.557 4.106
123 HB2 MET 17 HB2 MET 17 10.016 21.460 3.151
124 HB3 MET 17 HB3 MET 17 10.808 22.841 3.898
125 HG2 MET 17 HG2 MET 17 8.568 22.017 5.485
126 HG3 MET 17 HG3 MET 17 9.626 20.645 5.163
127 HE1 MET 17 HE1 MET 17 10.641 21.402 8.676
128 HE2 MET 17 HE2 MET 17 9.309 22.521 8.388
129 HE3 MET 17 HE3 MET 17 9.253 20.892 7.714
130 H LYS 18 H LYS 18 8.398 24.032 0.923
131 HA LYS 18 HA LYS 18 10.645 25.797 0.740
132 HB2 LYS 18 HB2 LYS 18 8.266 25.382 -1.076
133 HB3 LYS 18 HB3 LYS 18 9.632 26.420 -1.462
134 HG2 LYS 18 HG2 LYS 18 9.722 23.444 -1.013
135 HG3 LYS 18 HG3 LYS 18 9.861 24.282 -2.561
136 HD2 LYS 18 HD2 LYS 18 11.878 25.465 -1.576
137 HD3 LYS 18 HD3 LYS 18 11.796 24.298 -0.255
138 HE2 LYS 18 HE2 LYS 18 11.939 22.476 -1.947
139 HE3 LYS 18 HE3 LYS 18 12.189 23.705 -3.185
140 HZ1 LYS 18 HZ1 LYS 18 14.268 22.708 -2.353
141 HZ2 LYS 18 HZ2 LYS 18 13.942 23.338 -0.818
142 HZ3 LYS 18 HZ3 LYS 18 14.207 24.383 -2.122
143 H ARG 19 H ARG 19 10.608 28.067 0.502
144 HA ARG 19 HA ARG 19 8.445 29.338 2.003
145 HB2 ARG 19 HB2 ARG 19 11.121 30.456 1.147
146 HB3 ARG 19 HB3 ARG 19 9.966 31.243 2.214
147 HG2 ARG 19 HG2 ARG 19 11.201 28.580 2.849
148 HG3 ARG 19 HG3 ARG 19 11.936 30.115 3.316
149 HD2 ARG 19 HD2 ARG 19 9.091 29.467 4.010
150 HD3 ARG 19 HD3 ARG 19 10.428 28.914 5.017
151 HE ARG 19 HE ARG 19 10.569 31.713 4.481
152 HH11 ARG 19 HH11 ARG 19 9.027 29.310 6.473
153 HH12 ARG 19 HH12 ARG 19 8.719 30.404 7.781
154 HH21 ARG 19 HH21 ARG 19 10.168 33.163 6.196
155 HH22 ARG 19 HH22 ARG 19 9.367 32.595 7.622
156 H TRP 20 H TRP 20 8.032 28.501 -0.742
157 HA TRP 20 HA TRP 20 7.825 31.084 -2.128
158 HB2 TRP 20 HB2 TRP 20 8.045 28.255 -3.051
159 HB3 TRP 20 HB3 TRP 20 7.160 29.391 -4.064
160 HD1 TRP 20 HD1 TRP 20 8.562 30.921 -5.605
161 HE1 TRP 20 HE1 TRP 20 11.078 31.349 -5.935
162 HE3 TRP 20 HE3 TRP 20 10.362 28.322 -1.587
163 HZ2 TRP 20 HZ2 TRP 20 13.505 30.675 -4.661
164 HZ3 TRP 20 HZ3 TRP 20 12.793 28.263 -1.214
165 HH2 TRP 20 HH2 TRP 20 14.330 29.415 -2.721
166 H SER 21 H SER 21 5.834 31.298 -3.540
167 HA SER 21 HA SER 21 3.542 31.341 -1.958
168 HB2 SER 21 HB2 SER 21 2.320 31.816 -4.069
169 HB3 SER 21 HB3 SER 21 3.783 32.787 -3.903
170 HG SER 21 HG SER 21 4.692 31.729 -5.518
171 H THR 22 H THR 22 1.512 30.196 -2.252
172 HA THR 22 HA THR 22 1.707 27.459 -1.970
173 HB THR 22 HB THR 22 -0.286 28.574 -1.240
174 HG1 THR 22 HG1 THR 22 -1.867 27.211 -2.284
175 HG21 THR 22 HG21 THR 22 -0.264 30.312 -3.046
176 HG22 THR 22 HG22 THR 22 -1.857 29.639 -2.703
177 HG23 THR 22 HG23 THR 22 -0.965 29.112 -4.130
178 H GLU 23 H GLU 23 1.060 29.332 -4.901
179 HA GLU 23 HA GLU 23 0.415 27.279 -6.645
180 HB2 GLU 23 HB2 GLU 23 1.915 29.852 -7.132
181 HB3 GLU 23 HB3 GLU 23 1.401 28.780 -8.426
182 HG2 GLU 23 HG2 GLU 23 -0.540 29.883 -6.428
183 HG3 GLU 23 HG3 GLU 23 -0.081 30.775 -7.877
184 H MET 24 H MET 24 3.620 28.522 -5.765
185 HA MET 24 HA MET 24 5.089 26.841 -7.490
186 HB2 MET 24 HB2 MET 24 5.706 28.545 -5.134
187 HB3 MET 24 HB3 MET 24 6.889 27.318 -5.568
188 HG2 MET 24 HG2 MET 24 5.847 29.094 -7.708
189 HG3 MET 24 HG3 MET 24 6.998 29.755 -6.547
190 HE1 MET 24 HE1 MET 24 7.639 29.632 -9.719
191 HE2 MET 24 HE2 MET 24 8.245 28.081 -10.301
192 HE3 MET 24 HE3 MET 24 6.555 28.245 -9.823
193 H VAL 25 H VAL 25 4.099 26.501 -4.107
194 HA VAL 25 HA VAL 25 5.480 24.135 -3.529
195 HB VAL 25 HB VAL 25 2.812 24.994 -2.403
196 HG11 VAL 25 HG11 VAL 25 4.949 23.216 -1.232
197 HG12 VAL 25 HG12 VAL 25 3.415 23.654 -0.475
198 HG13 VAL 25 HG13 VAL 25 3.429 22.658 -1.931
199 HG21 VAL 25 HG21 VAL 25 3.977 26.787 -1.714
200 HG22 VAL 25 HG22 VAL 25 4.674 25.672 -0.539
201 HG23 VAL 25 HG23 VAL 25 5.534 26.026 -2.038
202 H HIS 26 H HIS 26 2.162 24.618 -4.714
203 HA HIS 26 HA HIS 26 1.448 21.906 -4.834
204 HB2 HIS 26 HB2 HIS 26 0.099 24.208 -5.209
205 HB3 HIS 26 HB3 HIS 26 0.316 23.722 -6.888
206 HD1 HIS 26 HD1 HIS 26 -1.971 22.916 -7.482
207 HD2 HIS 26 HD2 HIS 26 -0.602 21.291 -3.912
208 HE1 HIS 26 HE1 HIS 26 -3.680 21.191 -6.830
209 H ARG 27 H ARG 27 2.863 24.051 -7.279
210 HA ARG 27 HA ARG 27 2.858 22.212 -9.402
211 HB2 ARG 27 HB2 ARG 27 3.208 24.524 -9.885
212 HB3 ARG 27 HB3 ARG 27 4.602 24.602 -8.815
213 HG2 ARG 27 HG2 ARG 27 5.822 23.095 -10.329
214 HG3 ARG 27 HG3 ARG 27 4.431 23.096 -11.416
215 HD2 ARG 27 HD2 ARG 27 5.558 25.717 -10.587
216 HD3 ARG 27 HD3 ARG 27 6.476 24.752 -11.742
217 HE ARG 27 HE ARG 27 4.120 26.230 -12.272
218 HH11 ARG 27 HH11 ARG 27 5.741 23.258 -13.082
219 HH12 ARG 27 HH12 ARG 27 5.009 23.133 -14.647
220 HH21 ARG 27 HH21 ARG 27 3.149 26.077 -14.330
221 HH22 ARG 27 HH22 ARG 27 3.535 24.737 -15.357
222 H CYS 28 H CYS 28 5.251 22.890 -6.889
223 HA CYS 28 HA CYS 28 7.313 21.261 -7.876
224 HB2 CYS 28 HB2 CYS 28 7.577 22.951 -6.069
225 HB3 CYS 28 HB3 CYS 28 6.689 21.887 -4.983
226 H GLU 29 H GLU 29 4.853 20.551 -5.394
227 HA GLU 29 HA GLU 29 5.536 17.934 -4.849
228 HB2 GLU 29 HB2 GLU 29 2.804 19.220 -4.931
229 HB3 GLU 29 HB3 GLU 29 3.111 17.622 -4.266
230 HG2 GLU 29 HG2 GLU 29 4.728 18.686 -2.683
231 HG3 GLU 29 HG3 GLU 29 4.165 20.252 -3.265
232 H LYS 30 H LYS 30 3.137 19.045 -7.242
233 HA LYS 30 HA LYS 30 2.512 16.554 -8.316
234 HB2 LYS 30 HB2 LYS 30 2.454 19.335 -9.463
235 HB3 LYS 30 HB3 LYS 30 1.971 17.943 -10.424
236 HG2 LYS 30 HG2 LYS 30 0.147 17.471 -9.022
237 HG3 LYS 30 HG3 LYS 30 0.751 18.532 -7.746
238 HD2 LYS 30 HD2 LYS 30 -0.943 19.794 -8.712
239 HD3 LYS 30 HD3 LYS 30 0.506 20.405 -9.514
240 HE2 LYS 30 HE2 LYS 30 0.046 18.820 -11.385
241 HE3 LYS 30 HE3 LYS 30 -1.478 18.411 -10.600
242 HZ1 LYS 30 HZ1 LYS 30 -1.487 21.137 -10.712
243 HZ2 LYS 30 HZ2 LYS 30 -2.334 20.096 -11.742
244 HZ3 LYS 30 HZ3 LYS 30 -0.815 20.685 -12.198
245 H LYS 31 H LYS 31 4.953 18.908 -9.389
246 HA LYS 31 HA LYS 31 5.928 17.589 -11.606
247 HB2 LYS 31 HB2 LYS 31 7.095 19.490 -9.635
248 HB3 LYS 31 HB3 LYS 31 8.206 18.660 -10.717
249 HG2 LYS 31 HG2 LYS 31 6.748 19.470 -12.619
250 HG3 LYS 31 HG3 LYS 31 5.953 20.511 -11.435
251 HD2 LYS 31 HD2 LYS 31 7.588 21.899 -12.325
252 HD3 LYS 31 HD3 LYS 31 8.356 21.284 -10.860
253 HE2 LYS 31 HE2 LYS 31 9.683 19.760 -12.080
254 HE3 LYS 31 HE3 LYS 31 8.723 19.977 -13.543
255 HZ1 LYS 31 HZ1 LYS 31 10.268 21.443 -14.133
256 HZ2 LYS 31 HZ2 LYS 31 10.946 21.503 -12.585
257 HZ3 LYS 31 HZ3 LYS 31 9.620 22.482 -12.965
258 H CYS 32 H CYS 32 6.737 17.079 -8.205
259 HA CYS 32 HA CYS 32 8.830 15.232 -8.630
260 HB2 CYS 32 HB2 CYS 32 7.022 15.798 -6.290
261 HB3 CYS 32 HB3 CYS 32 8.232 14.521 -6.230
262 H GLU 33 H GLU 33 5.362 14.791 -8.015
263 HA GLU 33 HA GLU 33 5.432 11.961 -8.025
264 HB2 GLU 33 HB2 GLU 33 3.231 12.105 -7.564
265 HB3 GLU 33 HB3 GLU 33 3.556 13.822 -7.375
266 HG2 GLU 33 HG2 GLU 33 3.001 14.059 -9.832
267 HG3 GLU 33 HG3 GLU 33 2.391 12.407 -9.751
268 H GLU 34 H GLU 34 5.211 14.363 -10.538
269 HA GLU 34 HA GLU 34 4.322 12.568 -12.584
270 HB2 GLU 34 HB2 GLU 34 5.616 15.294 -12.772
271 HB3 GLU 34 HB3 GLU 34 4.911 14.422 -14.126
272 HG2 GLU 34 HG2 GLU 34 3.183 14.854 -11.767
273 HG3 GLU 34 HG3 GLU 34 3.588 16.268 -12.739
274 H LYS 35 H LYS 35 7.451 14.074 -11.804
275 HA LYS 35 HA LYS 35 8.911 12.759 -13.832
276 HB2 LYS 35 HB2 LYS 35 9.436 14.658 -11.811
277 HB3 LYS 35 HB3 LYS 35 10.562 13.333 -11.548
278 HG2 LYS 35 HG2 LYS 35 11.224 13.514 -13.944
279 HG3 LYS 35 HG3 LYS 35 10.217 14.960 -14.056
280 HD2 LYS 35 HD2 LYS 35 12.383 15.770 -13.653
281 HD3 LYS 35 HD3 LYS 35 11.578 15.848 -12.084
282 HE2 LYS 35 HE2 LYS 35 13.578 14.884 -11.498
283 HE3 LYS 35 HE3 LYS 35 12.593 13.451 -11.789
284 HZ1 LYS 35 HZ1 LYS 35 14.141 14.585 -14.010
285 HZ2 LYS 35 HZ2 LYS 35 13.684 12.982 -13.728
286 HZ3 LYS 35 HZ3 LYS 35 14.949 13.669 -12.840
287 H PHE 36 H PHE 36 7.601 11.628 -10.919
288 HA PHE 36 HA PHE 36 9.539 9.601 -10.353
289 HB2 PHE 36 HB2 PHE 36 7.430 10.706 -8.970
290 HB3 PHE 36 HB3 PHE 36 6.818 9.107 -9.382
291 HD1 PHE 36 HD1 PHE 36 7.937 7.097 -8.552
292 HD2 PHE 36 HD2 PHE 36 9.212 10.992 -7.406
293 HE1 PHE 36 HE1 PHE 36 9.211 6.126 -6.685
294 HE2 PHE 36 HE2 PHE 36 10.489 10.028 -5.537
295 HZ PHE 36 HZ PHE 36 10.491 7.592 -5.175
296 H GLU 37 H GLU 37 6.690 9.841 -12.342
297 HA GLU 37 HA GLU 37 6.146 7.107 -12.690
298 HB2 GLU 37 HB2 GLU 37 5.663 9.477 -14.496
299 HB3 GLU 37 HB3 GLU 37 5.068 7.860 -14.845
300 HG2 GLU 37 HG2 GLU 37 4.397 9.408 -12.355
301 HG3 GLU 37 HG3 GLU 37 3.394 9.365 -13.804
302 H ARG 38 H ARG 38 8.656 9.115 -13.924
303 HA ARG 38 HA ARG 38 9.313 7.351 -16.125
304 HB2 ARG 38 HB2 ARG 38 9.657 9.960 -15.904
305 HB3 ARG 38 HB3 ARG 38 11.170 9.477 -15.148
306 HG2 ARG 38 HG2 ARG 38 11.653 8.115 -17.193
307 HG3 ARG 38 HG3 ARG 38 10.238 8.863 -17.938
308 HD2 ARG 38 HD2 ARG 38 11.233 11.069 -17.632
309 HD3 ARG 38 HD3 ARG 38 12.635 10.337 -16.852
310 HE ARG 38 HE ARG 38 12.543 9.112 -19.268
311 HH11 ARG 38 HH11 ARG 38 12.555 12.442 -18.252
312 HH12 ARG 38 HH12 ARG 38 13.365 13.009 -19.674
313 HH21 ARG 38 HH21 ARG 38 13.611 9.847 -21.145
314 HH22 ARG 38 HH22 ARG 38 13.965 11.533 -21.320
315 H GLN 39 H GLN 39 10.947 5.881 -16.196
316 HA GLN 39 HA GLN 39 12.452 4.355 -15.436
317 HB2 GLN 39 HB2 GLN 39 13.505 6.834 -14.881
318 HB3 GLN 39 HB3 GLN 39 13.589 6.032 -13.318
319 HG2 GLN 39 HG2 GLN 39 14.693 4.889 -15.872
320 HG3 GLN 39 HG3 GLN 39 15.636 5.801 -14.695
321 HE21 GLN 39 HE21 GLN 39 16.686 4.648 -13.253
322 HE22 GLN 39 HE22 GLN 39 16.295 3.042 -12.748
323 H GLN 40 H GLN 40 9.869 4.360 -14.234
324 HA GLN 40 HA GLN 40 10.120 4.009 -11.405
325 HB2 GLN 40 HB2 GLN 40 7.832 3.524 -11.400
326 HB3 GLN 40 HB3 GLN 40 8.016 4.647 -12.741
327 HG2 GLN 40 HG2 GLN 40 7.800 1.653 -12.953
328 HG3 GLN 40 HG3 GLN 40 6.533 2.820 -13.325
329 HE21 GLN 40 HE21 GLN 40 6.607 3.956 -15.226
330 HE22 GLN 40 HE22 GLN 40 7.719 3.596 -16.498
331 H ARG 41 H ARG 41 9.341 1.897 -10.393
332 HA ARG 41 HA ARG 41 11.019 -0.233 -11.444
333 HB2 ARG 41 HB2 ARG 41 10.396 0.649 -8.879
334 HB3 ARG 41 HB3 ARG 41 9.526 -0.872 -9.031
335 HG2 ARG 41 HG2 ARG 41 12.449 -0.580 -9.667
336 HG3 ARG 41 HG3 ARG 41 11.839 -1.028 -8.072
337 HD2 ARG 41 HD2 ARG 41 11.139 -2.526 -10.588
338 HD3 ARG 41 HD3 ARG 41 12.521 -2.940 -9.574
339 HE ARG 41 HE ARG 41 9.742 -3.441 -9.013
340 HH11 ARG 41 HH11 ARG 41 12.929 -3.064 -7.664
341 HH12 ARG 41 HH12 ARG 41 12.572 -3.972 -6.232
342 HH21 ARG 41 HH21 ARG 41 9.260 -4.639 -7.133
343 HH22 ARG 41 HH22 ARG 41 10.485 -4.869 -5.932
Start of MODEL 6
1 H1 SER 1 H SER 1 10.410 5.634 3.683
2 HA SER 1 HA SER 1 11.866 3.829 5.318
3 HB2 SER 1 HB2 SER 1 9.095 4.922 5.280
4 HB3 SER 1 HB3 SER 1 9.377 3.452 6.214
5 HG SER 1 HG SER 1 10.807 4.527 7.485
6 H GLU 2 H GLU 2 8.882 3.291 3.432
7 HA GLU 2 HA GLU 2 9.850 0.614 2.753
8 HB2 GLU 2 HB2 GLU 2 7.264 0.012 3.186
9 HB3 GLU 2 HB3 GLU 2 8.520 -0.202 4.397
10 HG2 GLU 2 HG2 GLU 2 7.866 1.657 5.601
11 HG3 GLU 2 HG3 GLU 2 7.031 2.379 4.226
12 H LYS 3 H LYS 3 8.601 -0.392 1.003
13 HA LYS 3 HA LYS 3 7.708 -0.365 -1.089
14 HB2 LYS 3 HB2 LYS 3 6.131 1.778 0.287
15 HB3 LYS 3 HB3 LYS 3 5.927 1.525 -1.442
16 HG2 LYS 3 HG2 LYS 3 5.618 -0.662 0.599
17 HG3 LYS 3 HG3 LYS 3 4.281 0.336 0.022
18 HD2 LYS 3 HD2 LYS 3 6.048 -1.097 -1.925
19 HD3 LYS 3 HD3 LYS 3 4.743 -1.958 -1.106
20 HE2 LYS 3 HE2 LYS 3 3.113 -0.420 -1.986
21 HE3 LYS 3 HE3 LYS 3 4.382 0.587 -2.681
22 HZ1 LYS 3 HZ1 LYS 3 3.098 -1.641 -3.814
23 HZ2 LYS 3 HZ2 LYS 3 4.742 -2.000 -3.646
24 HZ3 LYS 3 HZ3 LYS 3 4.260 -0.627 -4.510
25 HA PRO 4 HA PRO 4 10.056 2.373 -3.587
26 HB2 PRO 4 HB2 PRO 4 8.569 2.507 -5.854
27 HB3 PRO 4 HB3 PRO 4 9.482 1.067 -5.388
28 HG2 PRO 4 HG2 PRO 4 6.566 1.653 -5.049
29 HG3 PRO 4 HG3 PRO 4 7.352 0.153 -5.576
30 HD2 PRO 4 HD2 PRO 4 6.444 0.512 -3.050
31 HD3 PRO 4 HD3 PRO 4 7.867 -0.482 -3.421
32 H GLN 5 H GLN 5 6.962 3.242 -2.505
33 HA GLN 5 HA GLN 5 6.934 5.852 -3.765
34 HB2 GLN 5 HB2 GLN 5 5.109 4.597 -1.710
35 HB3 GLN 5 HB3 GLN 5 4.864 6.188 -2.418
36 HG2 GLN 5 HG2 GLN 5 4.524 5.254 -4.584
37 HG3 GLN 5 HG3 GLN 5 5.003 3.652 -4.025
38 HE21 GLN 5 HE21 GLN 5 2.605 4.131 -5.328
39 HE22 GLN 5 HE22 GLN 5 1.303 3.865 -4.224
40 H GLN 6 H GLN 6 8.763 4.649 -1.423
41 HA GLN 6 HA GLN 6 8.460 6.392 0.760
42 HB2 GLN 6 HB2 GLN 6 10.634 5.661 1.461
43 HB3 GLN 6 HB3 GLN 6 9.800 4.282 0.757
44 HG2 GLN 6 HG2 GLN 6 11.032 4.713 -1.366
45 HG3 GLN 6 HG3 GLN 6 11.960 5.945 -0.511
46 HE21 GLN 6 HE21 GLN 6 13.856 5.275 0.158
47 HE22 GLN 6 HE22 GLN 6 14.264 3.667 0.639
48 H GLU 7 H GLU 7 10.148 6.719 -2.293
49 HA GLU 7 HA GLU 7 11.576 9.088 -1.560
50 HB2 GLU 7 HB2 GLU 7 11.159 7.513 -4.043
51 HB3 GLU 7 HB3 GLU 7 11.608 9.201 -4.238
52 HG2 GLU 7 HG2 GLU 7 13.590 8.833 -2.856
53 HG3 GLU 7 HG3 GLU 7 13.142 7.138 -2.672
54 H LEU 8 H LEU 8 8.404 8.397 -2.731
55 HA LEU 8 HA LEU 8 7.845 10.963 -3.839
56 HB2 LEU 8 HB2 LEU 8 6.615 8.864 -4.380
57 HB3 LEU 8 HB3 LEU 8 5.896 8.927 -2.772
58 HG LEU 8 HG LEU 8 4.712 10.949 -3.327
59 HD11 LEU 8 HD11 LEU 8 6.393 11.999 -4.737
60 HD12 LEU 8 HD12 LEU 8 4.835 11.940 -5.559
61 HD13 LEU 8 HD13 LEU 8 6.105 10.798 -5.997
62 HD21 LEU 8 HD21 LEU 8 4.433 8.959 -5.575
63 HD22 LEU 8 HD22 LEU 8 3.212 10.105 -5.023
64 HD23 LEU 8 HD23 LEU 8 3.720 8.782 -3.972
65 H GLU 9 H GLU 9 7.067 9.418 -0.732
66 HA GLU 9 HA GLU 9 5.598 11.442 0.434
67 HB2 GLU 9 HB2 GLU 9 7.384 9.305 1.508
68 HB3 GLU 9 HB3 GLU 9 6.811 10.549 2.610
69 HG2 GLU 9 HG2 GLU 9 4.475 9.983 1.743
70 HG3 GLU 9 HG3 GLU 9 5.218 8.531 1.075
71 H GLU 10 H GLU 10 9.126 10.977 0.607
72 HA GLU 10 HA GLU 10 9.675 13.295 2.090
73 HB2 GLU 10 HB2 GLU 10 11.998 13.037 1.227
74 HB3 GLU 10 HB3 GLU 10 11.331 11.560 1.909
75 HG2 GLU 10 HG2 GLU 10 10.771 10.835 -0.413
76 HG3 GLU 10 HG3 GLU 10 11.658 12.240 -1.000
77 H CYS 11 H CYS 11 9.641 12.725 -1.411
78 HA CYS 11 HA CYS 11 10.559 15.181 -2.292
79 HB2 CYS 11 HB2 CYS 11 9.858 13.025 -3.601
80 HB3 CYS 11 HB3 CYS 11 8.294 13.826 -3.714
81 H GLN 12 H GLN 12 7.203 14.224 -1.601
82 HA GLN 12 HA GLN 12 6.042 16.714 -2.205
83 HB2 GLN 12 HB2 GLN 12 5.037 14.645 -0.246
84 HB3 GLN 12 HB3 GLN 12 4.082 15.901 -1.022
85 HG2 GLN 12 HG2 GLN 12 5.541 13.877 -2.665
86 HG3 GLN 12 HG3 GLN 12 3.986 13.489 -1.930
87 HE21 GLN 12 HE21 GLN 12 2.134 14.508 -2.661
88 HE22 GLN 12 HE22 GLN 12 2.088 15.400 -4.140
89 H ASN 13 H ASN 13 6.889 15.291 0.952
90 HA ASN 13 HA ASN 13 6.172 17.366 2.601
91 HB2 ASN 13 HB2 ASN 13 7.207 15.040 3.149
92 HB3 ASN 13 HB3 ASN 13 8.745 15.894 3.080
93 HD21 ASN 13 HD21 ASN 13 7.920 14.674 5.379
94 HD22 ASN 13 HD22 ASN 13 7.539 15.868 6.569
95 H VAL 14 H VAL 14 9.142 17.006 0.723
96 HA VAL 14 HA VAL 14 10.479 19.268 1.761
97 HB VAL 14 HB VAL 14 10.788 17.914 -0.922
98 HG11 VAL 14 HG11 VAL 14 12.477 19.987 0.462
99 HG12 VAL 14 HG12 VAL 14 13.059 18.990 -0.873
100 HG13 VAL 14 HG13 VAL 14 11.709 20.097 -1.121
101 HG21 VAL 14 HG21 VAL 14 12.238 16.458 0.035
102 HG22 VAL 14 HG22 VAL 14 12.792 17.626 1.235
103 HG23 VAL 14 HG23 VAL 14 11.256 16.790 1.461
104 H CYS 15 H CYS 15 8.370 18.821 -1.050
105 HA CYS 15 HA CYS 15 8.644 21.369 -2.166
106 HB2 CYS 15 HB2 CYS 15 6.279 19.485 -2.195
107 HB3 CYS 15 HB3 CYS 15 6.419 20.918 -3.209
108 H ARG 16 H ARG 16 6.530 20.182 0.393
109 HA ARG 16 HA ARG 16 5.039 22.614 0.619
110 HB2 ARG 16 HB2 ARG 16 5.325 20.354 2.607
111 HB3 ARG 16 HB3 ARG 16 4.096 21.611 2.636
112 HG2 ARG 16 HG2 ARG 16 2.864 20.639 1.013
113 HG3 ARG 16 HG3 ARG 16 4.278 20.019 0.159
114 HD2 ARG 16 HD2 ARG 16 4.522 18.423 2.162
115 HD3 ARG 16 HD3 ARG 16 2.860 18.871 2.539
116 HE ARG 16 HE ARG 16 3.743 17.137 0.442
117 HH11 ARG 16 HH11 ARG 16 1.248 19.364 1.408
118 HH12 ARG 16 HH12 ARG 16 0.039 18.654 0.391
119 HH21 ARG 16 HH21 ARG 16 2.160 16.193 -0.902
120 HH22 ARG 16 HH22 ARG 16 0.558 16.849 -0.922
121 H MET 17 H MET 17 8.084 21.536 1.748
122 HA MET 17 HA MET 17 8.169 23.542 3.877
123 HB2 MET 17 HB2 MET 17 9.818 21.153 3.173
124 HB3 MET 17 HB3 MET 17 10.566 22.450 4.095
125 HG2 MET 17 HG2 MET 17 8.286 22.120 5.491
126 HG3 MET 17 HG3 MET 17 8.539 20.481 4.895
127 HE1 MET 17 HE1 MET 17 9.260 20.267 8.392
128 HE2 MET 17 HE2 MET 17 8.487 19.633 6.939
129 HE3 MET 17 HE3 MET 17 10.057 19.009 7.447
130 H LYS 18 H LYS 18 8.299 23.930 0.823
131 HA LYS 18 HA LYS 18 10.916 25.008 0.349
132 HB2 LYS 18 HB2 LYS 18 8.334 25.237 -1.204
133 HB3 LYS 18 HB3 LYS 18 9.876 25.877 -1.756
134 HG2 LYS 18 HG2 LYS 18 9.299 22.978 -1.181
135 HG3 LYS 18 HG3 LYS 18 9.342 23.720 -2.782
136 HD2 LYS 18 HD2 LYS 18 11.737 24.486 -1.993
137 HD3 LYS 18 HD3 LYS 18 11.576 23.105 -0.905
138 HE2 LYS 18 HE2 LYS 18 12.617 22.216 -2.795
139 HE3 LYS 18 HE3 LYS 18 10.921 21.780 -3.000
140 HZ1 LYS 18 HZ1 LYS 18 11.567 24.322 -4.157
141 HZ2 LYS 18 HZ2 LYS 18 10.775 22.994 -4.844
142 HZ3 LYS 18 HZ3 LYS 18 12.466 23.057 -4.833
143 H ARG 19 H ARG 19 7.868 26.226 1.503
144 HA ARG 19 HA ARG 19 7.170 28.285 2.184
145 HB2 ARG 19 HB2 ARG 19 9.380 27.710 3.563
146 HB3 ARG 19 HB3 ARG 19 9.972 29.134 2.718
147 HG2 ARG 19 HG2 ARG 19 8.340 30.520 3.702
148 HG3 ARG 19 HG3 ARG 19 7.411 29.138 4.283
149 HD2 ARG 19 HD2 ARG 19 10.227 29.660 5.187
150 HD3 ARG 19 HD3 ARG 19 8.840 30.401 5.983
151 HE ARG 19 HE ARG 19 9.707 27.684 6.209
152 HH11 ARG 19 HH11 ARG 19 6.940 29.792 6.351
153 HH12 ARG 19 HH12 ARG 19 6.030 28.743 7.386
154 HH21 ARG 19 HH21 ARG 19 8.518 26.294 7.572
155 HH22 ARG 19 HH22 ARG 19 6.929 26.753 8.081
156 H TRP 20 H TRP 20 7.796 28.017 -0.614
157 HA TRP 20 HA TRP 20 8.929 30.620 -1.321
158 HB2 TRP 20 HB2 TRP 20 8.562 28.038 -2.717
159 HB3 TRP 20 HB3 TRP 20 8.353 29.480 -3.708
160 HD1 TRP 20 HD1 TRP 20 10.930 29.462 -0.889
161 HE1 TRP 20 HE1 TRP 20 13.285 29.579 -1.922
162 HE3 TRP 20 HE3 TRP 20 9.686 28.884 -5.813
163 HZ2 TRP 20 HZ2 TRP 20 14.459 29.445 -4.485
164 HZ3 TRP 20 HZ3 TRP 20 11.484 28.891 -7.493
165 HH2 TRP 20 HH2 TRP 20 13.821 29.166 -6.840
166 H SER 21 H SER 21 6.116 28.666 -2.329
167 HA SER 21 HA SER 21 4.220 30.687 -1.855
168 HB2 SER 21 HB2 SER 21 3.695 31.357 -4.165
169 HB3 SER 21 HB3 SER 21 5.336 31.828 -3.724
170 HG SER 21 HG SER 21 4.918 30.705 -5.846
171 H THR 22 H THR 22 2.088 30.048 -2.393
172 HA THR 22 HA THR 22 1.551 27.334 -2.206
173 HB THR 22 HB THR 22 -0.142 28.948 -1.618
174 HG1 THR 22 HG1 THR 22 -0.734 26.818 -2.589
175 HG21 THR 22 HG21 THR 22 0.470 30.613 -3.381
176 HG22 THR 22 HG22 THR 22 -1.266 30.347 -3.214
177 HG23 THR 22 HG23 THR 22 -0.385 29.610 -4.552
178 H GLU 23 H GLU 23 1.798 29.384 -5.069
179 HA GLU 23 HA GLU 23 0.871 27.485 -6.939
180 HB2 GLU 23 HB2 GLU 23 1.014 29.866 -7.467
181 HB3 GLU 23 HB3 GLU 23 2.765 29.811 -7.319
182 HG2 GLU 23 HG2 GLU 23 3.004 28.546 -9.274
183 HG3 GLU 23 HG3 GLU 23 1.295 28.114 -9.305
184 H MET 24 H MET 24 4.156 28.360 -5.898
185 HA MET 24 HA MET 24 5.496 26.525 -7.570
186 HB2 MET 24 HB2 MET 24 6.257 27.989 -5.060
187 HB3 MET 24 HB3 MET 24 7.347 26.811 -5.779
188 HG2 MET 24 HG2 MET 24 6.217 29.120 -7.327
189 HG3 MET 24 HG3 MET 24 7.710 29.232 -6.399
190 HE1 MET 24 HE1 MET 24 6.803 29.682 -9.319
191 HE2 MET 24 HE2 MET 24 8.528 29.736 -9.683
192 HE3 MET 24 HE3 MET 24 7.481 28.600 -10.536
193 H VAL 25 H VAL 25 4.443 26.314 -4.187
194 HA VAL 25 HA VAL 25 5.502 23.799 -3.597
195 HB VAL 25 HB VAL 25 2.954 25.016 -2.519
196 HG11 VAL 25 HG11 VAL 25 4.738 22.885 -1.345
197 HG12 VAL 25 HG12 VAL 25 3.290 23.564 -0.600
198 HG13 VAL 25 HG13 VAL 25 3.158 22.609 -2.077
199 HG21 VAL 25 HG21 VAL 25 5.281 25.123 -0.801
200 HG22 VAL 25 HG22 VAL 25 5.553 25.976 -2.321
201 HG23 VAL 25 HG23 VAL 25 4.187 26.414 -1.297
202 H HIS 26 H HIS 26 2.274 24.663 -4.819
203 HA HIS 26 HA HIS 26 1.251 22.057 -4.959
204 HB2 HIS 26 HB2 HIS 26 0.163 24.472 -5.326
205 HB3 HIS 26 HB3 HIS 26 0.399 24.031 -7.015
206 HD1 HIS 26 HD1 HIS 26 -1.881 23.417 -7.786
207 HD2 HIS 26 HD2 HIS 26 -0.947 21.680 -4.130
208 HE1 HIS 26 HE1 HIS 26 -3.801 21.881 -7.262
209 H ARG 27 H ARG 27 2.958 24.011 -7.376
210 HA ARG 27 HA ARG 27 2.772 22.165 -9.492
211 HB2 ARG 27 HB2 ARG 27 3.367 24.426 -9.986
212 HB3 ARG 27 HB3 ARG 27 4.752 24.364 -8.905
213 HG2 ARG 27 HG2 ARG 27 5.813 22.718 -10.398
214 HG3 ARG 27 HG3 ARG 27 4.442 22.870 -11.499
215 HD2 ARG 27 HD2 ARG 27 5.045 24.972 -12.179
216 HD3 ARG 27 HD3 ARG 27 5.863 25.344 -10.663
217 HE ARG 27 HE ARG 27 7.363 23.363 -11.825
218 HH11 ARG 27 HH11 ARG 27 6.301 26.554 -12.726
219 HH12 ARG 27 HH12 ARG 27 7.685 26.877 -13.718
220 HH21 ARG 27 HH21 ARG 27 9.190 23.776 -13.128
221 HH22 ARG 27 HH22 ARG 27 9.327 25.295 -13.946
222 H CYS 28 H CYS 28 5.237 22.649 -6.995
223 HA CYS 28 HA CYS 28 7.109 20.791 -7.931
224 HB2 CYS 28 HB2 CYS 28 7.614 22.432 -6.177
225 HB3 CYS 28 HB3 CYS 28 6.516 21.604 -5.077
226 H GLU 29 H GLU 29 4.569 20.376 -5.464
227 HA GLU 29 HA GLU 29 4.974 17.711 -4.872
228 HB2 GLU 29 HB2 GLU 29 2.389 19.267 -5.003
229 HB3 GLU 29 HB3 GLU 29 2.527 17.659 -4.307
230 HG2 GLU 29 HG2 GLU 29 4.100 18.499 -2.649
231 HG3 GLU 29 HG3 GLU 29 3.989 20.111 -3.353
232 H LYS 30 H LYS 30 2.704 19.017 -7.293
233 HA LYS 30 HA LYS 30 1.823 16.604 -8.340
234 HB2 LYS 30 HB2 LYS 30 1.995 19.395 -9.356
235 HB3 LYS 30 HB3 LYS 30 1.690 18.126 -10.534
236 HG2 LYS 30 HG2 LYS 30 -0.134 17.425 -8.740
237 HG3 LYS 30 HG3 LYS 30 -0.028 19.143 -8.348
238 HD2 LYS 30 HD2 LYS 30 -0.240 19.453 -10.931
239 HD3 LYS 30 HD3 LYS 30 -0.912 17.822 -10.881
240 HE2 LYS 30 HE2 LYS 30 -1.915 20.202 -9.321
241 HE3 LYS 30 HE3 LYS 30 -2.669 19.518 -10.760
242 HZ1 LYS 30 HZ1 LYS 30 -2.506 17.368 -9.189
243 HZ2 LYS 30 HZ2 LYS 30 -3.858 18.381 -9.254
244 HZ3 LYS 30 HZ3 LYS 30 -2.715 18.574 -8.021
245 H LYS 31 H LYS 31 4.746 18.424 -9.028
246 HA LYS 31 HA LYS 31 5.536 16.941 -11.313
247 HB2 LYS 31 HB2 LYS 31 6.510 19.153 -9.843
248 HB3 LYS 31 HB3 LYS 31 7.805 17.964 -9.881
249 HG2 LYS 31 HG2 LYS 31 7.637 17.870 -12.324
250 HG3 LYS 31 HG3 LYS 31 6.361 19.089 -12.273
251 HD2 LYS 31 HD2 LYS 31 8.394 20.217 -12.789
252 HD3 LYS 31 HD3 LYS 31 7.993 20.607 -11.115
253 HE2 LYS 31 HE2 LYS 31 10.364 20.114 -11.337
254 HE3 LYS 31 HE3 LYS 31 9.566 18.894 -10.346
255 HZ1 LYS 31 HZ1 LYS 31 9.934 18.460 -13.238
256 HZ2 LYS 31 HZ2 LYS 31 9.729 17.317 -12.009
257 HZ3 LYS 31 HZ3 LYS 31 11.198 18.141 -12.160
258 H CYS 32 H CYS 32 6.234 16.639 -7.861
259 HA CYS 32 HA CYS 32 8.156 14.596 -8.051
260 HB2 CYS 32 HB2 CYS 32 6.278 15.454 -5.861
261 HB3 CYS 32 HB3 CYS 32 7.366 14.086 -5.652
262 H GLU 33 H GLU 33 4.634 14.496 -7.785
263 HA GLU 33 HA GLU 33 4.509 11.640 -7.612
264 HB2 GLU 33 HB2 GLU 33 2.330 13.609 -8.328
265 HB3 GLU 33 HB3 GLU 33 2.096 11.931 -7.859
266 HG2 GLU 33 HG2 GLU 33 2.922 12.385 -5.644
267 HG3 GLU 33 HG3 GLU 33 3.316 14.042 -6.096
268 H GLU 34 H GLU 34 4.387 14.007 -10.187
269 HA GLU 34 HA GLU 34 3.448 12.223 -12.202
270 HB2 GLU 34 HB2 GLU 34 4.776 14.922 -12.268
271 HB3 GLU 34 HB3 GLU 34 4.420 14.039 -13.746
272 HG2 GLU 34 HG2 GLU 34 2.147 14.216 -11.934
273 HG3 GLU 34 HG3 GLU 34 2.741 15.785 -12.475
274 H LYS 35 H LYS 35 6.666 13.530 -11.425
275 HA LYS 35 HA LYS 35 8.053 12.064 -13.398
276 HB2 LYS 35 HB2 LYS 35 8.687 13.986 -11.446
277 HB3 LYS 35 HB3 LYS 35 9.693 12.590 -11.082
278 HG2 LYS 35 HG2 LYS 35 9.516 13.779 -13.834
279 HG3 LYS 35 HG3 LYS 35 10.679 14.329 -12.626
280 HD2 LYS 35 HD2 LYS 35 11.715 12.186 -12.534
281 HD3 LYS 35 HD3 LYS 35 10.426 11.454 -13.492
282 HE2 LYS 35 HE2 LYS 35 12.310 11.763 -14.923
283 HE3 LYS 35 HE3 LYS 35 11.090 12.951 -15.380
284 HZ1 LYS 35 HZ1 LYS 35 13.649 13.546 -14.940
285 HZ2 LYS 35 HZ2 LYS 35 13.014 13.835 -13.399
286 HZ3 LYS 35 HZ3 LYS 35 12.385 14.653 -14.739
287 H PHE 36 H PHE 36 6.628 11.097 -10.482
288 HA PHE 36 HA PHE 36 8.414 8.958 -9.833
289 HB2 PHE 36 HB2 PHE 36 6.336 10.231 -8.533
290 HB3 PHE 36 HB3 PHE 36 5.659 8.648 -8.901
291 HD1 PHE 36 HD2 PHE 36 8.313 10.436 -7.103
292 HD2 PHE 36 HD1 PHE 36 6.453 6.675 -7.818
293 HE1 PHE 36 HE2 PHE 36 9.508 9.482 -5.175
294 HE2 PHE 36 HE1 PHE 36 7.644 5.715 -5.891
295 HZ PHE 36 HZ PHE 36 9.175 7.119 -4.568
296 H GLU 37 H GLU 37 5.820 9.380 -12.051
297 HA GLU 37 HA GLU 37 4.856 6.779 -12.313
298 HB2 GLU 37 HB2 GLU 37 3.967 7.445 -14.409
299 HB3 GLU 37 HB3 GLU 37 3.941 8.878 -13.391
300 HG2 GLU 37 HG2 GLU 37 6.205 9.429 -14.484
301 HG3 GLU 37 HG3 GLU 37 5.731 8.242 -15.699
302 H ARG 38 H ARG 38 7.871 8.153 -13.269
303 HA ARG 38 HA ARG 38 8.558 6.304 -15.304
304 HB2 ARG 38 HB2 ARG 38 9.641 8.573 -14.755
305 HB3 ARG 38 HB3 ARG 38 10.548 7.698 -13.529
306 HG2 ARG 38 HG2 ARG 38 11.949 7.792 -15.406
307 HG3 ARG 38 HG3 ARG 38 11.299 6.151 -15.389
308 HD2 ARG 38 HD2 ARG 38 9.454 7.218 -16.928
309 HD3 ARG 38 HD3 ARG 38 10.711 8.415 -17.237
310 HE ARG 38 HE ARG 38 11.816 5.863 -17.556
311 HH11 ARG 38 HH11 ARG 38 9.485 7.960 -19.070
312 HH12 ARG 38 HH12 ARG 38 9.729 7.303 -20.655
313 HH21 ARG 38 HH21 ARG 38 12.146 4.990 -19.638
314 HH22 ARG 38 HH22 ARG 38 11.242 5.613 -20.976
315 H GLN 39 H GLN 39 8.624 4.180 -14.952
316 HA GLN 39 HA GLN 39 9.067 2.979 -12.437
317 HB2 GLN 39 HB2 GLN 39 8.503 2.116 -15.141
318 HB3 GLN 39 HB3 GLN 39 9.689 1.063 -14.381
319 HG2 GLN 39 HG2 GLN 39 7.106 1.796 -13.043
320 HG3 GLN 39 HG3 GLN 39 7.249 0.425 -14.142
321 HE21 GLN 39 HE21 GLN 39 6.440 -0.210 -11.739
322 HE22 GLN 39 HE22 GLN 39 7.692 -0.930 -10.792
323 H GLN 40 H GLN 40 11.172 3.386 -15.269
324 HA GLN 40 HA GLN 40 13.495 3.227 -13.517
325 HB2 GLN 40 HB2 GLN 40 14.608 1.528 -14.735
326 HB3 GLN 40 HB3 GLN 40 12.989 0.914 -14.425
327 HG2 GLN 40 HG2 GLN 40 12.447 1.876 -16.767
328 HG3 GLN 40 HG3 GLN 40 14.195 1.851 -16.988
329 HE21 GLN 40 HE21 GLN 40 14.728 0.164 -18.165
330 HE22 GLN 40 HE22 GLN 40 14.108 -1.439 -17.989
331 H ARG 41 H ARG 41 15.351 4.233 -14.347
332 HA ARG 41 HA ARG 41 14.785 6.246 -16.350
333 HB2 ARG 41 HB2 ARG 41 16.364 6.165 -14.066
334 HB3 ARG 41 HB3 ARG 41 17.530 6.152 -15.383
335 HG2 ARG 41 HG2 ARG 41 15.338 8.183 -15.010
336 HG3 ARG 41 HG3 ARG 41 17.041 8.416 -14.607
337 HD2 ARG 41 HD2 ARG 41 17.611 8.011 -16.983
338 HD3 ARG 41 HD3 ARG 41 15.889 7.906 -17.347
339 HE ARG 41 HE ARG 41 16.094 10.313 -16.155
340 HH11 ARG 41 HH11 ARG 41 17.850 8.808 -18.758
341 HH12 ARG 41 HH12 ARG 41 18.195 10.303 -19.563
342 HH21 ARG 41 HH21 ARG 41 16.542 12.287 -17.206
343 HH22 ARG 41 HH22 ARG 41 17.451 12.281 -18.679
Start of MODEL 7
1 H1 SER 1 H SER 1 3.727 -3.161 6.405
2 HA SER 1 HA SER 1 4.603 -4.194 3.789
3 HB2 SER 1 HB2 SER 1 2.471 -2.107 4.275
4 HB3 SER 1 HB3 SER 1 2.820 -2.955 2.769
5 HG SER 1 HG SER 1 0.995 -3.791 3.962
6 H GLU 2 H GLU 2 6.260 -3.192 2.879
7 HA GLU 2 HA GLU 2 6.706 -0.348 3.498
8 HB2 GLU 2 HB2 GLU 2 9.223 -1.165 3.009
9 HB3 GLU 2 HB3 GLU 2 8.522 -1.112 4.621
10 HG2 GLU 2 HG2 GLU 2 9.701 -3.205 4.209
11 HG3 GLU 2 HG3 GLU 2 7.983 -3.469 4.497
12 H LYS 3 H LYS 3 7.890 0.838 1.857
13 HA LYS 3 HA LYS 3 8.290 -0.328 -0.735
14 HB2 LYS 3 HB2 LYS 3 5.849 1.266 -0.133
15 HB3 LYS 3 HB3 LYS 3 6.651 1.560 -1.670
16 HG2 LYS 3 HG2 LYS 3 6.547 -0.991 -1.973
17 HG3 LYS 3 HG3 LYS 3 5.351 -0.945 -0.675
18 HD2 LYS 3 HD2 LYS 3 5.133 0.789 -3.122
19 HD3 LYS 3 HD3 LYS 3 4.471 -0.846 -3.064
20 HE2 LYS 3 HE2 LYS 3 3.793 1.046 -0.868
21 HE3 LYS 3 HE3 LYS 3 3.011 1.261 -2.433
22 HZ1 LYS 3 HZ1 LYS 3 2.913 -1.123 -0.675
23 HZ2 LYS 3 HZ2 LYS 3 2.382 -1.143 -2.281
24 HZ3 LYS 3 HZ3 LYS 3 1.625 -0.135 -1.153
25 HA PRO 4 HA PRO 4 11.085 3.022 -1.191
26 HB2 PRO 4 HB2 PRO 4 10.959 3.539 -3.853
27 HB3 PRO 4 HB3 PRO 4 11.730 2.093 -3.191
28 HG2 PRO 4 HG2 PRO 4 8.997 2.410 -4.369
29 HG3 PRO 4 HG3 PRO 4 10.175 1.108 -4.612
30 HD2 PRO 4 HD2 PRO 4 8.065 0.868 -2.933
31 HD3 PRO 4 HD3 PRO 4 9.620 0.065 -2.633
32 H GLN 5 H GLN 5 7.775 3.444 -1.938
33 HA GLN 5 HA GLN 5 7.789 6.135 -2.794
34 HB2 GLN 5 HB2 GLN 5 5.599 4.680 -1.304
35 HB3 GLN 5 HB3 GLN 5 5.415 6.131 -2.281
36 HG2 GLN 5 HG2 GLN 5 6.055 3.349 -3.208
37 HG3 GLN 5 HG3 GLN 5 4.631 4.320 -3.576
38 HE21 GLN 5 HE21 GLN 5 4.743 5.885 -5.147
39 HE22 GLN 5 HE22 GLN 5 6.081 6.039 -6.229
40 H GLN 6 H GLN 6 8.440 4.737 0.222
41 HA GLN 6 HA GLN 6 7.444 6.575 2.045
42 HB2 GLN 6 HB2 GLN 6 9.154 5.806 3.566
43 HB3 GLN 6 HB3 GLN 6 8.555 4.437 2.638
44 HG2 GLN 6 HG2 GLN 6 10.555 4.863 1.093
45 HG3 GLN 6 HG3 GLN 6 11.181 5.854 2.410
46 HE21 GLN 6 HE21 GLN 6 12.403 3.520 1.387
47 HE22 GLN 6 HE22 GLN 6 12.434 2.342 2.650
48 H GLU 7 H GLU 7 10.172 6.814 -0.118
49 HA GLU 7 HA GLU 7 11.353 9.094 1.135
50 HB2 GLU 7 HB2 GLU 7 11.894 7.400 -1.151
51 HB3 GLU 7 HB3 GLU 7 12.127 9.095 -1.554
52 HG2 GLU 7 HG2 GLU 7 13.648 9.334 0.346
53 HG3 GLU 7 HG3 GLU 7 13.423 7.629 0.733
54 H LEU 8 H LEU 8 9.015 8.595 -1.443
55 HA LEU 8 HA LEU 8 8.939 11.160 -2.521
56 HB2 LEU 8 HB2 LEU 8 7.789 9.105 -3.387
57 HB3 LEU 8 HB3 LEU 8 6.562 9.349 -2.145
58 HG LEU 8 HG LEU 8 6.073 11.573 -3.183
59 HD11 LEU 8 HD11 LEU 8 7.116 12.340 -5.029
60 HD12 LEU 8 HD12 LEU 8 7.345 10.727 -5.705
61 HD13 LEU 8 HD13 LEU 8 8.430 11.318 -4.446
62 HD21 LEU 8 HD21 LEU 8 5.457 10.001 -5.461
63 HD22 LEU 8 HD22 LEU 8 4.406 10.448 -4.116
64 HD23 LEU 8 HD23 LEU 8 5.354 8.961 -4.040
65 H GLU 9 H GLU 9 7.053 9.795 0.167
66 HA GLU 9 HA GLU 9 5.442 11.958 0.748
67 HB2 GLU 9 HB2 GLU 9 6.715 9.953 2.613
68 HB3 GLU 9 HB3 GLU 9 5.485 11.103 3.119
69 HG2 GLU 9 HG2 GLU 9 3.867 10.121 1.669
70 HG3 GLU 9 HG3 GLU 9 5.087 9.094 0.918
71 H GLU 10 H GLU 10 8.821 11.440 1.539
72 HA GLU 10 HA GLU 10 9.039 13.645 3.337
73 HB2 GLU 10 HB2 GLU 10 11.191 12.189 1.790
74 HB3 GLU 10 HB3 GLU 10 11.467 13.300 3.124
75 HG2 GLU 10 HG2 GLU 10 9.859 10.774 3.381
76 HG3 GLU 10 HG3 GLU 10 11.591 10.865 3.696
77 H CYS 11 H CYS 11 9.791 13.166 -0.093
78 HA CYS 11 HA CYS 11 10.917 15.697 -0.566
79 HB2 CYS 11 HB2 CYS 11 10.824 13.544 -2.058
80 HB3 CYS 11 HB3 CYS 11 9.342 14.266 -2.676
81 H GLN 12 H GLN 12 7.591 14.523 -1.034
82 HA GLN 12 HA GLN 12 6.547 16.985 -1.937
83 HB2 GLN 12 HB2 GLN 12 5.090 14.728 -0.551
84 HB3 GLN 12 HB3 GLN 12 4.352 16.002 -1.513
85 HG2 GLN 12 HG2 GLN 12 6.353 14.738 -3.084
86 HG3 GLN 12 HG3 GLN 12 5.334 13.493 -2.363
87 HE21 GLN 12 HE21 GLN 12 5.579 14.356 -5.145
88 HE22 GLN 12 HE22 GLN 12 3.990 14.820 -5.640
89 H ASN 13 H ASN 13 6.688 15.493 1.273
90 HA ASN 13 HA ASN 13 5.172 17.334 2.691
91 HB2 ASN 13 HB2 ASN 13 5.954 15.238 3.674
92 HB3 ASN 13 HB3 ASN 13 7.619 15.810 3.613
93 HD21 ASN 13 HD21 ASN 13 8.395 16.775 5.349
94 HD22 ASN 13 HD22 ASN 13 7.461 17.403 6.660
95 H VAL 14 H VAL 14 8.565 17.464 1.736
96 HA VAL 14 HA VAL 14 9.180 19.828 3.201
97 HB VAL 14 HB VAL 14 10.582 18.636 0.804
98 HG11 VAL 14 HG11 VAL 14 11.036 21.064 2.346
99 HG12 VAL 14 HG12 VAL 14 12.447 20.005 2.292
100 HG13 VAL 14 HG13 VAL 14 11.706 20.566 0.793
101 HG21 VAL 14 HG21 VAL 14 11.540 17.155 2.167
102 HG22 VAL 14 HG22 VAL 14 11.892 18.386 3.380
103 HG23 VAL 14 HG23 VAL 14 10.315 17.596 3.357
104 H CYS 15 H CYS 15 8.177 19.178 -0.124
105 HA CYS 15 HA CYS 15 8.530 21.730 -1.191
106 HB2 CYS 15 HB2 CYS 15 6.479 19.612 -1.860
107 HB3 CYS 15 HB3 CYS 15 6.758 21.054 -2.831
108 H ARG 16 H ARG 16 5.774 20.338 0.539
109 HA ARG 16 HA ARG 16 4.041 22.543 0.226
110 HB2 ARG 16 HB2 ARG 16 4.097 20.510 2.464
111 HB3 ARG 16 HB3 ARG 16 2.743 21.549 2.039
112 HG2 ARG 16 HG2 ARG 16 2.162 20.294 0.240
113 HG3 ARG 16 HG3 ARG 16 3.822 19.792 -0.086
114 HD2 ARG 16 HD2 ARG 16 3.624 18.446 2.093
115 HD3 ARG 16 HD3 ARG 16 1.888 18.707 1.935
116 HE ARG 16 HE ARG 16 3.536 16.956 0.347
117 HH11 ARG 16 HH11 ARG 16 0.546 18.730 0.524
118 HH12 ARG 16 HH12 ARG 16 -0.270 17.724 -0.627
119 HH21 ARG 16 HH21 ARG 16 2.473 15.624 -1.170
120 HH22 ARG 16 HH22 ARG 16 0.827 15.957 -1.589
121 H MET 17 H MET 17 6.788 22.043 2.211
122 HA MET 17 HA MET 17 6.042 24.049 4.168
123 HB2 MET 17 HB2 MET 17 8.347 22.189 3.793
124 HB3 MET 17 HB3 MET 17 8.580 23.620 4.787
125 HG2 MET 17 HG2 MET 17 6.335 22.760 5.895
126 HG3 MET 17 HG3 MET 17 6.919 21.218 5.273
127 HE1 MET 17 HE1 MET 17 7.377 20.844 8.803
128 HE2 MET 17 HE2 MET 17 6.822 20.239 7.242
129 HE3 MET 17 HE3 MET 17 8.440 19.836 7.820
130 H LYS 18 H LYS 18 6.984 24.235 1.071
131 HA LYS 18 HA LYS 18 9.053 26.209 1.219
132 HB2 LYS 18 HB2 LYS 18 7.240 25.369 -1.049
133 HB3 LYS 18 HB3 LYS 18 8.571 26.505 -1.219
134 HG2 LYS 18 HG2 LYS 18 8.784 23.611 -0.415
135 HG3 LYS 18 HG3 LYS 18 9.240 24.311 -1.970
136 HD2 LYS 18 HD2 LYS 18 10.848 25.784 -0.681
137 HD3 LYS 18 HD3 LYS 18 10.524 24.755 0.716
138 HE2 LYS 18 HE2 LYS 18 12.457 23.847 -0.239
139 HE3 LYS 18 HE3 LYS 18 11.156 22.800 -0.806
140 HZ1 LYS 18 HZ1 LYS 18 13.000 23.919 -2.394
141 HZ2 LYS 18 HZ2 LYS 18 11.745 25.045 -2.530
142 HZ3 LYS 18 HZ3 LYS 18 11.472 23.421 -2.920
143 H ARG 19 H ARG 19 8.774 28.242 1.828
144 HA ARG 19 HA ARG 19 6.114 29.425 1.775
145 HB2 ARG 19 HB2 ARG 19 8.730 30.273 3.009
146 HB3 ARG 19 HB3 ARG 19 7.319 31.323 2.981
147 HG2 ARG 19 HG2 ARG 19 6.051 29.615 4.219
148 HG3 ARG 19 HG3 ARG 19 7.507 28.620 4.294
149 HD2 ARG 19 HD2 ARG 19 7.550 31.441 5.289
150 HD3 ARG 19 HD3 ARG 19 6.893 30.154 6.299
151 HE ARG 19 HE ARG 19 9.657 30.626 5.672
152 HH11 ARG 19 HH11 ARG 19 7.309 28.242 6.633
153 HH12 ARG 19 HH12 ARG 19 8.476 27.203 7.381
154 HH21 ARG 19 HH21 ARG 19 11.204 29.267 6.654
155 HH22 ARG 19 HH22 ARG 19 10.691 27.788 7.393
156 H TRP 20 H TRP 20 7.006 29.054 -0.766
157 HA TRP 20 HA TRP 20 7.977 31.684 -1.647
158 HB2 TRP 20 HB2 TRP 20 7.937 28.992 -3.015
159 HB3 TRP 20 HB3 TRP 20 8.327 30.489 -3.858
160 HD1 TRP 20 HD1 TRP 20 9.591 28.774 -0.596
161 HE1 TRP 20 HE1 TRP 20 12.156 28.978 -0.551
162 HE3 TRP 20 HE3 TRP 20 10.278 31.347 -4.961
163 HZ2 TRP 20 HZ2 TRP 20 14.201 30.083 -2.153
164 HZ3 TRP 20 HZ3 TRP 20 12.570 31.939 -5.632
165 HH2 TRP 20 HH2 TRP 20 14.489 31.320 -4.256
166 H SER 21 H SER 21 5.735 29.188 -2.869
167 HA SER 21 HA SER 21 3.478 30.856 -2.946
168 HB2 SER 21 HB2 SER 21 3.313 31.215 -5.404
169 HB3 SER 21 HB3 SER 21 4.655 32.096 -4.674
170 HG SER 21 HG SER 21 4.800 30.478 -6.692
171 H THR 22 H THR 22 1.629 29.816 -3.832
172 HA THR 22 HA THR 22 1.470 27.090 -3.446
173 HB THR 22 HB THR 22 -0.544 28.392 -3.482
174 HG1 THR 22 HG1 THR 22 -0.759 26.785 -5.805
175 HG21 THR 22 HG21 THR 22 0.238 30.034 -5.194
176 HG22 THR 22 HG22 THR 22 -1.416 29.476 -5.444
177 HG23 THR 22 HG23 THR 22 -0.108 28.832 -6.436
178 H GLU 23 H GLU 23 2.038 28.857 -6.460
179 HA GLU 23 HA GLU 23 1.900 26.691 -8.225
180 HB2 GLU 23 HB2 GLU 23 3.520 29.236 -8.382
181 HB3 GLU 23 HB3 GLU 23 3.343 28.101 -9.713
182 HG2 GLU 23 HG2 GLU 23 0.999 29.413 -8.371
183 HG3 GLU 23 HG3 GLU 23 1.838 30.121 -9.750
184 H MET 24 H MET 24 4.647 28.026 -6.424
185 HA MET 24 HA MET 24 6.604 26.307 -7.509
186 HB2 MET 24 HB2 MET 24 6.418 28.082 -5.124
187 HB3 MET 24 HB3 MET 24 7.705 26.884 -5.157
188 HG2 MET 24 HG2 MET 24 7.269 28.716 -7.478
189 HG3 MET 24 HG3 MET 24 8.161 29.254 -6.056
190 HE1 MET 24 HE1 MET 24 11.113 28.913 -8.187
191 HE2 MET 24 HE2 MET 24 9.777 28.723 -9.323
192 HE3 MET 24 HE3 MET 24 9.634 29.850 -7.973
193 H VAL 25 H VAL 25 4.381 25.991 -4.812
194 HA VAL 25 HA VAL 25 5.568 23.690 -3.652
195 HB VAL 25 HB VAL 25 2.698 24.624 -3.500
196 HG11 VAL 25 HG11 VAL 25 2.613 23.291 -1.433
197 HG12 VAL 25 HG12 VAL 25 2.912 22.294 -2.858
198 HG13 VAL 25 HG13 VAL 25 4.239 22.695 -1.766
199 HG21 VAL 25 HG21 VAL 25 3.434 26.277 -2.214
200 HG22 VAL 25 HG22 VAL 25 4.128 25.095 -1.104
201 HG23 VAL 25 HG23 VAL 25 5.097 25.732 -2.433
202 H HIS 26 H HIS 26 2.831 24.109 -5.884
203 HA HIS 26 HA HIS 26 2.212 21.378 -6.149
204 HB2 HIS 26 HB2 HIS 26 0.970 23.595 -6.944
205 HB3 HIS 26 HB3 HIS 26 1.780 23.211 -8.460
206 HD1 HIS 26 HD1 HIS 26 0.038 22.211 -9.906
207 HD2 HIS 26 HD2 HIS 26 -0.127 20.731 -6.027
208 HE1 HIS 26 HE1 HIS 26 -1.732 20.425 -9.943
209 H ARG 27 H ARG 27 4.106 23.516 -8.283
210 HA ARG 27 HA ARG 27 4.852 21.624 -10.171
211 HB2 ARG 27 HB2 ARG 27 6.136 24.154 -9.190
212 HB3 ARG 27 HB3 ARG 27 6.953 23.149 -10.380
213 HG2 ARG 27 HG2 ARG 27 5.386 23.569 -12.014
214 HG3 ARG 27 HG3 ARG 27 4.129 23.985 -10.847
215 HD2 ARG 27 HD2 ARG 27 5.091 26.095 -10.414
216 HD3 ARG 27 HD3 ARG 27 6.599 25.656 -11.214
217 HE ARG 27 HE ARG 27 5.674 26.310 -13.191
218 HH11 ARG 27 HH11 ARG 27 3.111 25.678 -10.921
219 HH12 ARG 27 HH12 ARG 27 1.858 26.233 -11.981
220 HH21 ARG 27 HH21 ARG 27 4.033 27.043 -14.596
221 HH22 ARG 27 HH22 ARG 27 2.384 27.008 -14.072
222 H CYS 28 H CYS 28 6.296 22.383 -7.046
223 HA CYS 28 HA CYS 28 8.635 20.850 -7.311
224 HB2 CYS 28 HB2 CYS 28 8.243 22.535 -5.526
225 HB3 CYS 28 HB3 CYS 28 7.089 21.437 -4.778
226 H GLU 29 H GLU 29 5.559 20.025 -5.703
227 HA GLU 29 HA GLU 29 6.180 17.402 -5.032
228 HB2 GLU 29 HB2 GLU 29 3.504 18.599 -5.768
229 HB3 GLU 29 HB3 GLU 29 3.715 17.022 -5.020
230 HG2 GLU 29 HG2 GLU 29 4.867 18.186 -3.121
231 HG3 GLU 29 HG3 GLU 29 4.361 19.711 -3.846
232 H LYS 30 H LYS 30 4.544 18.612 -7.952
233 HA LYS 30 HA LYS 30 4.122 16.186 -9.229
234 HB2 LYS 30 HB2 LYS 30 4.611 18.964 -10.274
235 HB3 LYS 30 HB3 LYS 30 4.348 17.613 -11.370
236 HG2 LYS 30 HG2 LYS 30 2.149 17.366 -10.760
237 HG3 LYS 30 HG3 LYS 30 2.395 18.099 -9.173
238 HD2 LYS 30 HD2 LYS 30 1.247 19.764 -10.286
239 HD3 LYS 30 HD3 LYS 30 2.923 20.246 -10.557
240 HE2 LYS 30 HE2 LYS 30 1.376 18.548 -12.500
241 HE3 LYS 30 HE3 LYS 30 1.391 20.309 -12.574
242 HZ1 LYS 30 HZ1 LYS 30 3.570 18.410 -13.096
243 HZ2 LYS 30 HZ2 LYS 30 3.951 19.961 -12.538
244 HZ3 LYS 30 HZ3 LYS 30 3.095 19.770 -13.984
245 H LYS 31 H LYS 31 7.021 18.164 -9.056
246 HA LYS 31 HA LYS 31 8.497 16.755 -11.029
247 HB2 LYS 31 HB2 LYS 31 9.087 18.769 -8.933
248 HB3 LYS 31 HB3 LYS 31 10.443 17.793 -9.485
249 HG2 LYS 31 HG2 LYS 31 9.528 18.469 -11.859
250 HG3 LYS 31 HG3 LYS 31 8.836 19.816 -10.951
251 HD2 LYS 31 HD2 LYS 31 10.926 20.625 -10.322
252 HD3 LYS 31 HD3 LYS 31 11.723 19.080 -10.627
253 HE2 LYS 31 HE2 LYS 31 12.397 20.447 -12.402
254 HE3 LYS 31 HE3 LYS 31 11.110 19.450 -13.079
255 HZ1 LYS 31 HZ1 LYS 31 9.983 21.269 -13.585
256 HZ2 LYS 31 HZ2 LYS 31 11.258 22.224 -13.017
257 HZ3 LYS 31 HZ3 LYS 31 9.998 21.789 -11.975
258 H CYS 32 H CYS 32 8.595 16.641 -7.467
259 HA CYS 32 HA CYS 32 10.469 14.613 -7.191
260 HB2 CYS 32 HB2 CYS 32 8.143 15.452 -5.471
261 HB3 CYS 32 HB3 CYS 32 9.219 14.143 -4.993
262 H GLU 33 H GLU 33 7.123 14.448 -8.102
263 HA GLU 33 HA GLU 33 6.785 11.656 -7.590
264 HB2 GLU 33 HB2 GLU 33 5.214 13.811 -8.888
265 HB3 GLU 33 HB3 GLU 33 4.863 12.168 -9.405
266 HG2 GLU 33 HG2 GLU 33 4.992 12.729 -6.492
267 HG3 GLU 33 HG3 GLU 33 3.588 13.291 -7.397
268 H GLU 34 H GLU 34 7.222 13.548 -10.580
269 HA GLU 34 HA GLU 34 7.403 11.314 -12.291
270 HB2 GLU 34 HB2 GLU 34 8.414 12.925 -13.907
271 HB3 GLU 34 HB3 GLU 34 6.893 13.471 -13.213
272 HG2 GLU 34 HG2 GLU 34 8.117 14.899 -11.653
273 HG3 GLU 34 HG3 GLU 34 9.639 14.358 -12.358
274 H LYS 35 H LYS 35 9.843 13.203 -10.574
275 HA LYS 35 HA LYS 35 12.095 11.937 -11.736
276 HB2 LYS 35 HB2 LYS 35 11.606 13.988 -9.826
277 HB3 LYS 35 HB3 LYS 35 12.700 12.824 -9.090
278 HG2 LYS 35 HG2 LYS 35 13.127 14.176 -11.747
279 HG3 LYS 35 HG3 LYS 35 13.892 14.635 -10.224
280 HD2 LYS 35 HD2 LYS 35 14.866 12.344 -10.101
281 HD3 LYS 35 HD3 LYS 35 14.210 12.028 -11.709
282 HE2 LYS 35 HE2 LYS 35 16.465 12.657 -12.031
283 HE3 LYS 35 HE3 LYS 35 15.497 14.056 -12.493
284 HZ1 LYS 35 HZ1 LYS 35 16.814 13.707 -9.854
285 HZ2 LYS 35 HZ2 LYS 35 15.969 15.074 -10.381
286 HZ3 LYS 35 HZ3 LYS 35 17.427 14.644 -11.122
287 H PHE 36 H PHE 36 9.815 10.888 -9.450
288 HA PHE 36 HA PHE 36 11.510 9.114 -7.976
289 HB2 PHE 36 HB2 PHE 36 8.964 10.101 -7.623
290 HB3 PHE 36 HB3 PHE 36 8.663 8.423 -8.063
291 HD1 PHE 36 HD2 PHE 36 10.412 10.611 -5.656
292 HD2 PHE 36 HD1 PHE 36 9.068 6.671 -6.544
293 HE1 PHE 36 HE2 PHE 36 10.926 9.919 -3.352
294 HE2 PHE 36 HE1 PHE 36 9.579 5.973 -4.241
295 HZ PHE 36 HZ PHE 36 10.511 7.598 -2.641
296 H GLU 37 H GLU 37 8.826 8.424 -10.227
297 HA GLU 37 HA GLU 37 10.393 6.388 -11.554
298 HB2 GLU 37 HB2 GLU 37 9.097 4.515 -10.994
299 HB3 GLU 37 HB3 GLU 37 9.344 5.341 -9.463
300 HG2 GLU 37 HG2 GLU 37 7.073 6.464 -9.977
301 HG3 GLU 37 HG3 GLU 37 6.867 5.135 -11.116
302 H ARG 38 H ARG 38 9.051 5.303 -13.304
303 HA ARG 38 HA ARG 38 6.760 6.823 -14.223
304 HB2 ARG 38 HB2 ARG 38 8.115 6.893 -16.545
305 HB3 ARG 38 HB3 ARG 38 8.104 8.224 -15.396
306 HG2 ARG 38 HG2 ARG 38 10.354 7.766 -16.177
307 HG3 ARG 38 HG3 ARG 38 10.209 7.432 -14.450
308 HD2 ARG 38 HD2 ARG 38 10.370 5.155 -14.740
309 HD3 ARG 38 HD3 ARG 38 9.766 5.218 -16.395
310 HE ARG 38 HE ARG 38 11.916 5.488 -17.126
311 HH11 ARG 38 HH11 ARG 38 11.782 6.178 -13.716
312 HH12 ARG 38 HH12 ARG 38 13.501 6.315 -13.544
313 HH21 ARG 38 HH21 ARG 38 14.180 5.665 -16.912
314 HH22 ARG 38 HH22 ARG 38 14.864 6.024 -15.362
315 H GLN 39 H GLN 39 5.481 5.707 -15.673
316 HA GLN 39 HA GLN 39 5.760 2.882 -15.690
317 HB2 GLN 39 HB2 GLN 39 3.763 4.830 -16.451
318 HB3 GLN 39 HB3 GLN 39 3.891 3.562 -17.663
319 HG2 GLN 39 HG2 GLN 39 3.683 2.846 -14.774
320 HG3 GLN 39 HG3 GLN 39 2.242 3.302 -15.680
321 HE21 GLN 39 HE21 GLN 39 1.897 0.967 -14.855
322 HE22 GLN 39 HE22 GLN 39 2.284 -0.276 -15.991
323 H GLN 40 H GLN 40 5.485 5.063 -18.499
324 HA GLN 40 HA GLN 40 7.701 3.693 -19.794
325 HB2 GLN 40 HB2 GLN 40 6.503 3.014 -21.721
326 HB3 GLN 40 HB3 GLN 40 5.561 2.452 -20.346
327 HG2 GLN 40 HG2 GLN 40 4.095 4.423 -20.593
328 HG3 GLN 40 HG3 GLN 40 5.004 4.881 -22.032
329 HE21 GLN 40 HE21 GLN 40 4.582 3.896 -23.933
330 HE22 GLN 40 HE22 GLN 40 3.367 2.688 -24.153
331 H ARG 41 H ARG 41 8.553 4.828 -21.608
332 HA ARG 41 HA ARG 41 8.097 7.691 -21.433
333 HB2 ARG 41 HB2 ARG 41 10.345 6.102 -21.878
334 HB3 ARG 41 HB3 ARG 41 10.028 6.857 -23.434
335 HG2 ARG 41 HG2 ARG 41 9.813 9.024 -21.942
336 HG3 ARG 41 HG3 ARG 41 10.840 8.082 -20.859
337 HD2 ARG 41 HD2 ARG 41 12.538 7.879 -22.500
338 HD3 ARG 41 HD3 ARG 41 11.476 8.485 -23.771
339 HE ARG 41 HE ARG 41 11.626 10.520 -21.947
340 HH11 ARG 41 HH11 ARG 41 13.917 8.689 -23.822
341 HH12 ARG 41 HH12 ARG 41 15.058 9.988 -23.938
342 HH21 ARG 41 HH21 ARG 41 13.119 12.238 -22.092
343 HH22 ARG 41 HH22 ARG 41 14.603 12.006 -22.952
Start of MODEL 8
1 H1 SER 1 H SER 1 14.191 -1.412 -2.325
2 HA SER 1 HA SER 1 12.283 -1.399 -4.276
3 HB2 SER 1 HB2 SER 1 13.295 -3.624 -2.521
4 HB3 SER 1 HB3 SER 1 12.085 -3.931 -3.767
5 HG SER 1 HG SER 1 14.722 -3.680 -4.046
6 H GLU 2 H GLU 2 11.805 -2.198 -0.855
7 HA GLU 2 HA GLU 2 9.004 -2.717 -1.170
8 HB2 GLU 2 HB2 GLU 2 10.681 -3.551 0.667
9 HB3 GLU 2 HB3 GLU 2 10.249 -2.048 1.469
10 HG2 GLU 2 HG2 GLU 2 8.001 -2.681 1.686
11 HG3 GLU 2 HG3 GLU 2 8.175 -3.998 0.528
12 H LYS 3 H LYS 3 7.454 -1.255 -1.357
13 HA LYS 3 HA LYS 3 6.356 0.741 -1.386
14 HB2 LYS 3 HB2 LYS 3 7.707 0.783 1.302
15 HB3 LYS 3 HB3 LYS 3 6.666 2.101 0.783
16 HG2 LYS 3 HG2 LYS 3 5.692 -0.726 0.717
17 HG3 LYS 3 HG3 LYS 3 5.668 0.209 2.214
18 HD2 LYS 3 HD2 LYS 3 4.125 1.732 1.386
19 HD3 LYS 3 HD3 LYS 3 4.501 1.350 -0.295
20 HE2 LYS 3 HE2 LYS 3 2.443 0.333 0.002
21 HE3 LYS 3 HE3 LYS 3 3.568 -0.994 0.287
22 HZ1 LYS 3 HZ1 LYS 3 3.278 -0.793 2.612
23 HZ2 LYS 3 HZ2 LYS 3 1.727 -0.788 1.938
24 HZ3 LYS 3 HZ3 LYS 3 2.425 0.660 2.465
25 HA PRO 4 HA PRO 4 10.109 3.004 -2.908
26 HB2 PRO 4 HB2 PRO 4 9.117 3.442 -5.397
27 HB3 PRO 4 HB3 PRO 4 9.984 1.967 -4.954
28 HG2 PRO 4 HG2 PRO 4 7.035 2.441 -5.162
29 HG3 PRO 4 HG3 PRO 4 7.987 1.050 -5.715
30 HD2 PRO 4 HD2 PRO 4 6.560 1.016 -3.414
31 HD3 PRO 4 HD3 PRO 4 8.076 0.114 -3.611
32 H GLN 5 H GLN 5 6.727 3.633 -2.663
33 HA GLN 5 HA GLN 5 6.772 6.355 -3.500
34 HB2 GLN 5 HB2 GLN 5 4.538 6.491 -2.576
35 HB3 GLN 5 HB3 GLN 5 4.715 4.981 -3.461
36 HG2 GLN 5 HG2 GLN 5 4.924 3.737 -1.434
37 HG3 GLN 5 HG3 GLN 5 4.994 5.216 -0.477
38 HE21 GLN 5 HE21 GLN 5 3.011 2.826 -1.781
39 HE22 GLN 5 HE22 GLN 5 1.482 3.538 -1.409
40 H GLN 6 H GLN 6 7.925 4.792 -0.748
41 HA GLN 6 HA GLN 6 7.404 6.559 1.325
42 HB2 GLN 6 HB2 GLN 6 9.639 4.668 0.726
43 HB3 GLN 6 HB3 GLN 6 9.805 5.777 2.081
44 HG2 GLN 6 HG2 GLN 6 7.344 4.112 1.831
45 HG3 GLN 6 HG3 GLN 6 8.833 3.393 2.442
46 HE21 GLN 6 HE21 GLN 6 6.101 5.212 3.191
47 HE22 GLN 6 HE22 GLN 6 6.540 5.679 4.795
48 H GLU 7 H GLU 7 9.643 6.824 -1.339
49 HA GLU 7 HA GLU 7 11.153 8.991 -0.252
50 HB2 GLU 7 HB2 GLU 7 11.170 7.386 -2.648
51 HB3 GLU 7 HB3 GLU 7 11.329 9.088 -3.058
52 HG2 GLU 7 HG2 GLU 7 13.104 8.985 -1.079
53 HG3 GLU 7 HG3 GLU 7 13.181 7.303 -1.601
54 H LEU 8 H LEU 8 8.317 8.712 -2.309
55 HA LEU 8 HA LEU 8 8.138 11.335 -3.228
56 HB2 LEU 8 HB2 LEU 8 6.748 9.404 -3.970
57 HB3 LEU 8 HB3 LEU 8 5.835 9.545 -2.470
58 HG LEU 8 HG LEU 8 5.159 11.838 -3.174
59 HD11 LEU 8 HD11 LEU 8 7.074 12.181 -4.727
60 HD12 LEU 8 HD12 LEU 8 5.502 12.566 -5.426
61 HD13 LEU 8 HD13 LEU 8 6.307 11.055 -5.846
62 HD21 LEU 8 HD21 LEU 8 3.633 11.017 -5.026
63 HD22 LEU 8 HD22 LEU 8 3.565 10.133 -3.501
64 HD23 LEU 8 HD23 LEU 8 4.449 9.460 -4.872
65 H GLU 9 H GLU 9 6.744 9.885 -0.293
66 HA GLU 9 HA GLU 9 5.400 12.079 0.706
67 HB2 GLU 9 HB2 GLU 9 6.926 9.972 2.248
68 HB3 GLU 9 HB3 GLU 9 5.750 11.075 2.949
69 HG2 GLU 9 HG2 GLU 9 4.965 9.323 0.666
70 HG3 GLU 9 HG3 GLU 9 5.050 8.663 2.298
71 H GLU 10 H GLU 10 8.830 11.400 0.714
72 HA GLU 10 HA GLU 10 9.519 13.462 2.576
73 HB2 GLU 10 HB2 GLU 10 11.297 12.102 0.546
74 HB3 GLU 10 HB3 GLU 10 11.817 12.991 1.971
75 HG2 GLU 10 HG2 GLU 10 10.604 11.288 3.355
76 HG3 GLU 10 HG3 GLU 10 10.374 10.357 1.876
77 H CYS 11 H CYS 11 9.487 13.170 -0.949
78 HA CYS 11 HA CYS 11 10.662 15.667 -1.515
79 HB2 CYS 11 HB2 CYS 11 10.149 13.618 -3.065
80 HB3 CYS 11 HB3 CYS 11 8.614 14.439 -3.327
81 H GLN 12 H GLN 12 7.250 14.676 -1.342
82 HA GLN 12 HA GLN 12 6.191 17.241 -1.883
83 HB2 GLN 12 HB2 GLN 12 4.897 14.974 -0.359
84 HB3 GLN 12 HB3 GLN 12 4.069 16.333 -1.109
85 HG2 GLN 12 HG2 GLN 12 5.301 15.413 -3.263
86 HG3 GLN 12 HG3 GLN 12 5.252 13.913 -2.340
87 HE21 GLN 12 HE21 GLN 12 3.767 15.279 -4.739
88 HE22 GLN 12 HE22 GLN 12 2.123 14.830 -4.452
89 H ASN 13 H ASN 13 6.899 15.529 1.135
90 HA ASN 13 HA ASN 13 5.791 17.324 2.940
91 HB2 ASN 13 HB2 ASN 13 6.612 15.168 3.669
92 HB3 ASN 13 HB3 ASN 13 8.259 15.598 3.216
93 HD21 ASN 13 HD21 ASN 13 8.724 14.996 5.436
94 HD22 ASN 13 HD22 ASN 13 8.511 16.170 6.686
95 H VAL 14 H VAL 14 8.968 17.357 1.389
96 HA VAL 14 HA VAL 14 9.962 19.605 2.815
97 HB VAL 14 HB VAL 14 10.819 18.508 0.134
98 HG11 VAL 14 HG11 VAL 14 12.985 19.723 1.378
99 HG12 VAL 14 HG12 VAL 14 12.078 20.340 -0.005
100 HG13 VAL 14 HG13 VAL 14 11.645 20.842 1.630
101 HG21 VAL 14 HG21 VAL 14 12.537 18.061 2.450
102 HG22 VAL 14 HG22 VAL 14 10.963 17.278 2.582
103 HG23 VAL 14 HG23 VAL 14 12.004 16.936 1.201
104 H CYS 15 H CYS 15 8.314 19.208 -0.286
105 HA CYS 15 HA CYS 15 8.595 21.800 -1.269
106 HB2 CYS 15 HB2 CYS 15 6.368 19.791 -1.627
107 HB3 CYS 15 HB3 CYS 15 6.462 21.302 -2.527
108 H ARG 16 H ARG 16 6.155 20.440 0.904
109 HA ARG 16 HA ARG 16 4.530 22.743 1.051
110 HB2 ARG 16 HB2 ARG 16 4.889 20.572 3.124
111 HB3 ARG 16 HB3 ARG 16 3.544 21.700 3.024
112 HG2 ARG 16 HG2 ARG 16 2.557 20.591 1.308
113 HG3 ARG 16 HG3 ARG 16 4.092 20.028 0.643
114 HD2 ARG 16 HD2 ARG 16 4.231 18.559 2.743
115 HD3 ARG 16 HD3 ARG 16 2.517 18.919 2.945
116 HE ARG 16 HE ARG 16 3.221 17.927 0.333
117 HH11 ARG 16 HH11 ARG 16 2.262 17.092 3.574
118 HH12 ARG 16 HH12 ARG 16 1.609 15.551 3.123
119 HH21 ARG 16 HH21 ARG 16 2.365 15.901 -0.273
120 HH22 ARG 16 HH22 ARG 16 1.669 14.875 0.935
121 H MET 17 H MET 17 7.585 22.012 2.389
122 HA MET 17 HA MET 17 7.340 23.969 4.534
123 HB2 MET 17 HB2 MET 17 9.350 21.900 3.770
124 HB3 MET 17 HB3 MET 17 9.889 23.272 4.729
125 HG2 MET 17 HG2 MET 17 7.738 22.590 6.150
126 HG3 MET 17 HG3 MET 17 8.127 21.018 5.458
127 HE1 MET 17 HE1 MET 17 9.741 23.849 8.103
128 HE2 MET 17 HE2 MET 17 8.190 23.013 8.170
129 HE3 MET 17 HE3 MET 17 9.518 22.493 9.209
130 H LYS 18 H LYS 18 7.612 24.321 1.398
131 HA LYS 18 HA LYS 18 9.938 26.014 1.205
132 HB2 LYS 18 HB2 LYS 18 7.674 25.470 -0.721
133 HB3 LYS 18 HB3 LYS 18 9.066 26.478 -1.094
134 HG2 LYS 18 HG2 LYS 18 9.118 23.542 -0.427
135 HG3 LYS 18 HG3 LYS 18 9.351 24.265 -2.021
136 HD2 LYS 18 HD2 LYS 18 11.285 25.558 -0.898
137 HD3 LYS 18 HD3 LYS 18 11.159 24.336 0.370
138 HE2 LYS 18 HE2 LYS 18 11.661 22.585 -1.146
139 HE3 LYS 18 HE3 LYS 18 11.457 23.641 -2.542
140 HZ1 LYS 18 HZ1 LYS 18 13.756 23.252 -0.861
141 HZ2 LYS 18 HZ2 LYS 18 13.390 24.883 -1.118
142 HZ3 LYS 18 HZ3 LYS 18 13.660 23.859 -2.437
143 H ARG 19 H ARG 19 10.010 28.067 1.811
144 HA ARG 19 HA ARG 19 7.529 29.495 2.355
145 HB2 ARG 19 HB2 ARG 19 9.828 29.375 3.759
146 HB3 ARG 19 HB3 ARG 19 10.142 30.816 2.803
147 HG2 ARG 19 HG2 ARG 19 8.168 31.883 3.663
148 HG3 ARG 19 HG3 ARG 19 7.699 30.409 4.513
149 HD2 ARG 19 HD2 ARG 19 8.762 32.135 5.964
150 HD3 ARG 19 HD3 ARG 19 9.580 30.573 5.978
151 HE ARG 19 HE ARG 19 11.419 31.561 5.028
152 HH11 ARG 19 HH11 ARG 19 8.694 33.714 4.784
153 HH12 ARG 19 HH12 ARG 19 9.638 35.056 4.227
154 HH21 ARG 19 HH21 ARG 19 12.673 33.320 4.296
155 HH22 ARG 19 HH22 ARG 19 11.901 34.830 3.949
156 H TRP 20 H TRP 20 7.849 29.099 -0.330
157 HA TRP 20 HA TRP 20 8.864 31.643 -1.386
158 HB2 TRP 20 HB2 TRP 20 8.149 29.056 -2.781
159 HB3 TRP 20 HB3 TRP 20 8.654 30.523 -3.614
160 HD1 TRP 20 HD1 TRP 20 10.083 27.399 -2.687
161 HE1 TRP 20 HE1 TRP 20 12.628 27.537 -2.334
162 HE3 TRP 20 HE3 TRP 20 10.571 32.472 -2.282
163 HZ2 TRP 20 HZ2 TRP 20 14.585 29.533 -1.936
164 HZ3 TRP 20 HZ3 TRP 20 12.814 33.415 -1.916
165 HH2 TRP 20 HH2 TRP 20 14.778 31.974 -1.746
166 H SER 21 H SER 21 6.125 29.450 -2.050
167 HA SER 21 HA SER 21 4.125 31.371 -1.624
168 HB2 SER 21 HB2 SER 21 3.445 31.783 -3.989
169 HB3 SER 21 HB3 SER 21 5.003 32.504 -3.582
170 HG SER 21 HG SER 21 4.908 31.316 -5.619
171 H THR 22 H THR 22 2.050 30.525 -1.876
172 HA THR 22 HA THR 22 1.713 27.806 -1.560
173 HB THR 22 HB THR 22 -0.043 29.358 -0.947
174 HG1 THR 22 HG1 THR 22 -1.721 28.082 -1.604
175 HG21 THR 22 HG21 THR 22 -0.675 29.737 -3.865
176 HG22 THR 22 HG22 THR 22 0.359 30.853 -2.973
177 HG23 THR 22 HG23 THR 22 -1.318 30.619 -2.480
178 H GLU 23 H GLU 23 1.673 29.705 -4.529
179 HA GLU 23 HA GLU 23 0.720 27.698 -6.254
180 HB2 GLU 23 HB2 GLU 23 2.439 30.128 -6.728
181 HB3 GLU 23 HB3 GLU 23 1.930 29.067 -8.034
182 HG2 GLU 23 HG2 GLU 23 -0.428 29.497 -7.384
183 HG3 GLU 23 HG3 GLU 23 0.158 30.675 -6.211
184 H MET 24 H MET 24 4.009 28.611 -5.298
185 HA MET 24 HA MET 24 5.345 26.784 -6.985
186 HB2 MET 24 HB2 MET 24 6.108 28.303 -4.515
187 HB3 MET 24 HB3 MET 24 7.197 27.085 -5.167
188 HG2 MET 24 HG2 MET 24 6.110 29.251 -6.917
189 HG3 MET 24 HG3 MET 24 7.493 29.545 -5.865
190 HE1 MET 24 HE1 MET 24 8.994 29.160 -9.504
191 HE2 MET 24 HE2 MET 24 7.302 29.602 -9.279
192 HE3 MET 24 HE3 MET 24 8.542 30.293 -8.230
193 H VAL 25 H VAL 25 3.983 26.508 -3.764
194 HA VAL 25 HA VAL 25 5.185 24.079 -3.011
195 HB VAL 25 HB VAL 25 2.464 25.112 -2.202
196 HG11 VAL 25 HG11 VAL 25 2.742 22.778 -1.639
197 HG12 VAL 25 HG12 VAL 25 4.310 23.113 -0.901
198 HG13 VAL 25 HG13 VAL 25 2.837 23.756 -0.174
199 HG21 VAL 25 HG21 VAL 25 3.478 26.692 -1.017
200 HG22 VAL 25 HG22 VAL 25 4.497 25.489 -0.227
201 HG23 VAL 25 HG23 VAL 25 5.014 26.222 -1.745
202 H HIS 26 H HIS 26 1.981 24.702 -4.444
203 HA HIS 26 HA HIS 26 1.203 22.026 -4.699
204 HB2 HIS 26 HB2 HIS 26 0.380 24.587 -5.998
205 HB3 HIS 26 HB3 HIS 26 -0.192 23.071 -6.689
206 HD1 HIS 26 HD1 HIS 26 -2.352 24.774 -5.651
207 HD2 HIS 26 HD2 HIS 26 -0.261 22.180 -3.170
208 HE1 HIS 26 HE1 HIS 26 -3.862 24.363 -3.683
209 H ARG 27 H ARG 27 2.755 24.184 -7.063
210 HA ARG 27 HA ARG 27 2.901 22.363 -9.177
211 HB2 ARG 27 HB2 ARG 27 3.320 24.675 -9.605
212 HB3 ARG 27 HB3 ARG 27 4.643 24.714 -8.447
213 HG2 ARG 27 HG2 ARG 27 5.933 23.208 -9.898
214 HG3 ARG 27 HG3 ARG 27 4.614 23.237 -11.070
215 HD2 ARG 27 HD2 ARG 27 5.785 25.814 -10.134
216 HD3 ARG 27 HD3 ARG 27 6.672 24.849 -11.313
217 HE ARG 27 HE ARG 27 3.919 25.283 -12.013
218 HH11 ARG 27 HH11 ARG 27 7.148 26.575 -12.158
219 HH12 ARG 27 HH12 ARG 27 6.834 27.553 -13.554
220 HH21 ARG 27 HH21 ARG 27 3.493 26.566 -13.850
221 HH22 ARG 27 HH22 ARG 27 4.755 27.547 -14.515
222 H CYS 28 H CYS 28 5.069 22.918 -6.452
223 HA CYS 28 HA CYS 28 7.211 21.323 -7.310
224 HB2 CYS 28 HB2 CYS 28 7.281 22.924 -5.397
225 HB3 CYS 28 HB3 CYS 28 6.314 21.790 -4.460
226 H GLU 29 H GLU 29 4.493 20.513 -5.152
227 HA GLU 29 HA GLU 29 5.143 17.840 -4.724
228 HB2 GLU 29 HB2 GLU 29 2.448 19.201 -4.805
229 HB3 GLU 29 HB3 GLU 29 2.688 17.546 -4.261
230 HG2 GLU 29 HG2 GLU 29 4.443 18.674 -2.664
231 HG3 GLU 29 HG3 GLU 29 3.454 20.103 -2.958
232 H LYS 30 H LYS 30 2.975 19.241 -7.175
233 HA LYS 30 HA LYS 30 2.211 16.894 -8.442
234 HB2 LYS 30 HB2 LYS 30 2.629 19.666 -9.565
235 HB3 LYS 30 HB3 LYS 30 1.892 18.354 -10.475
236 HG2 LYS 30 HG2 LYS 30 0.314 18.237 -8.367
237 HG3 LYS 30 HG3 LYS 30 0.823 19.918 -8.188
238 HD2 LYS 30 HD2 LYS 30 -0.125 18.921 -10.844
239 HD3 LYS 30 HD3 LYS 30 -1.298 19.340 -9.592
240 HE2 LYS 30 HE2 LYS 30 -0.561 21.581 -9.516
241 HE3 LYS 30 HE3 LYS 30 0.900 21.212 -10.430
242 HZ1 LYS 30 HZ1 LYS 30 -0.605 22.282 -11.890
243 HZ2 LYS 30 HZ2 LYS 30 -1.887 21.274 -11.440
244 HZ3 LYS 30 HZ3 LYS 30 -0.591 20.648 -12.330
245 H LYS 31 H LYS 31 5.151 18.781 -8.779
246 HA LYS 31 HA LYS 31 6.127 17.459 -11.095
247 HB2 LYS 31 HB2 LYS 31 7.334 19.219 -8.994
248 HB3 LYS 31 HB3 LYS 31 8.387 18.368 -10.116
249 HG2 LYS 31 HG2 LYS 31 6.114 20.061 -11.087
250 HG3 LYS 31 HG3 LYS 31 7.688 20.756 -10.695
251 HD2 LYS 31 HD2 LYS 31 7.498 18.394 -12.523
252 HD3 LYS 31 HD3 LYS 31 7.181 20.018 -13.137
253 HE2 LYS 31 HE2 LYS 31 9.406 20.693 -12.169
254 HE3 LYS 31 HE3 LYS 31 9.709 18.982 -11.868
255 HZ1 LYS 31 HZ1 LYS 31 10.704 19.517 -13.927
256 HZ2 LYS 31 HZ2 LYS 31 9.322 20.314 -14.488
257 HZ3 LYS 31 HZ3 LYS 31 9.310 18.633 -14.298
258 H CYS 32 H CYS 32 6.915 17.108 -7.639
259 HA CYS 32 HA CYS 32 8.737 15.011 -7.891
260 HB2 CYS 32 HB2 CYS 32 6.902 15.847 -5.654
261 HB3 CYS 32 HB3 CYS 32 7.987 14.470 -5.491
262 H GLU 33 H GLU 33 5.280 15.031 -8.084
263 HA GLU 33 HA GLU 33 4.917 12.230 -7.615
264 HB2 GLU 33 HB2 GLU 33 2.921 13.231 -7.217
265 HB3 GLU 33 HB3 GLU 33 3.222 14.525 -8.368
266 HG2 GLU 33 HG2 GLU 33 1.333 13.158 -9.046
267 HG3 GLU 33 HG3 GLU 33 2.653 13.046 -10.209
268 H GLU 34 H GLU 34 4.900 14.278 -10.524
269 HA GLU 34 HA GLU 34 4.552 12.128 -12.340
270 HB2 GLU 34 HB2 GLU 34 5.257 13.785 -14.063
271 HB3 GLU 34 HB3 GLU 34 3.959 14.355 -13.024
272 HG2 GLU 34 HG2 GLU 34 5.565 15.651 -11.721
273 HG3 GLU 34 HG3 GLU 34 6.870 15.076 -12.757
274 H LYS 35 H LYS 35 7.387 13.817 -11.088
275 HA LYS 35 HA LYS 35 9.279 12.548 -12.774
276 HB2 LYS 35 HB2 LYS 35 9.314 14.540 -10.790
277 HB3 LYS 35 HB3 LYS 35 10.394 13.277 -10.214
278 HG2 LYS 35 HG2 LYS 35 11.822 14.612 -11.419
279 HG3 LYS 35 HG3 LYS 35 11.382 13.388 -12.613
280 HD2 LYS 35 HD2 LYS 35 9.813 15.930 -12.392
281 HD3 LYS 35 HD3 LYS 35 11.335 15.892 -13.287
282 HE2 LYS 35 HE2 LYS 35 10.388 13.937 -14.571
283 HE3 LYS 35 HE3 LYS 35 8.838 14.292 -13.810
284 HZ1 LYS 35 HZ1 LYS 35 10.226 15.702 -15.926
285 HZ2 LYS 35 HZ2 LYS 35 9.513 16.694 -14.755
286 HZ3 LYS 35 HZ3 LYS 35 8.568 15.581 -15.610
287 H PHE 36 H PHE 36 7.492 11.448 -10.103
288 HA PHE 36 HA PHE 36 9.372 9.523 -9.127
289 HB2 PHE 36 HB2 PHE 36 7.017 10.582 -8.176
290 HB3 PHE 36 HB3 PHE 36 6.541 8.949 -8.630
291 HD1 PHE 36 HD1 PHE 36 8.893 10.904 -6.558
292 HD2 PHE 36 HD2 PHE 36 7.157 7.094 -7.323
293 HE1 PHE 36 HE1 PHE 36 9.854 10.049 -4.460
294 HE2 PHE 36 HE2 PHE 36 8.115 6.233 -5.227
295 HZ PHE 36 HZ PHE 36 9.465 7.711 -3.792
296 H GLU 37 H GLU 37 6.978 9.603 -11.637
297 HA GLU 37 HA GLU 37 6.596 6.823 -11.956
298 HB2 GLU 37 HB2 GLU 37 6.332 9.087 -13.941
299 HB3 GLU 37 HB3 GLU 37 5.806 7.437 -14.246
300 HG2 GLU 37 HG2 GLU 37 4.715 9.385 -12.239
301 HG3 GLU 37 HG3 GLU 37 3.890 8.664 -13.620
302 H ARG 38 H ARG 38 8.273 5.489 -12.231
303 HA ARG 38 HA ARG 38 10.647 6.256 -13.645
304 HB2 ARG 38 HB2 ARG 38 9.697 3.698 -12.378
305 HB3 ARG 38 HB3 ARG 38 11.172 3.750 -13.334
306 HG2 ARG 38 HG2 ARG 38 10.797 5.706 -11.116
307 HG3 ARG 38 HG3 ARG 38 11.260 4.043 -10.748
308 HD2 ARG 38 HD2 ARG 38 12.731 5.709 -12.770
309 HD3 ARG 38 HD3 ARG 38 13.138 5.740 -11.055
310 HE ARG 38 HE ARG 38 13.057 3.080 -12.058
311 HH11 ARG 38 HH11 ARG 38 15.011 5.960 -11.960
312 HH12 ARG 38 HH12 ARG 38 16.508 5.108 -12.153
313 HH21 ARG 38 HH21 ARG 38 15.021 1.948 -12.314
314 HH22 ARG 38 HH22 ARG 38 16.512 2.826 -12.356
315 H GLN 39 H GLN 39 11.122 5.979 -15.732
316 HA GLN 39 HA GLN 39 9.128 4.716 -17.444
317 HB2 GLN 39 HB2 GLN 39 10.627 7.012 -17.714
318 HB3 GLN 39 HB3 GLN 39 11.476 5.875 -18.752
319 HG2 GLN 39 HG2 GLN 39 9.326 5.390 -19.887
320 HG3 GLN 39 HG3 GLN 39 8.576 6.655 -18.916
321 HE21 GLN 39 HE21 GLN 39 8.786 6.524 -21.777
322 HE22 GLN 39 HE22 GLN 39 9.682 7.912 -22.281
323 H GLN 40 H GLN 40 9.432 2.861 -18.536
324 HA GLN 40 HA GLN 40 11.681 1.218 -17.843
325 HB2 GLN 40 HB2 GLN 40 10.554 -0.542 -18.957
326 HB3 GLN 40 HB3 GLN 40 9.300 0.411 -18.173
327 HG2 GLN 40 HG2 GLN 40 9.148 1.617 -20.465
328 HG3 GLN 40 HG3 GLN 40 9.961 0.175 -21.072
329 HE21 GLN 40 HE21 GLN 40 7.723 0.391 -22.218
330 HE22 GLN 40 HE22 GLN 40 6.468 -0.575 -21.527
331 H ARG 41 H ARG 41 13.125 0.212 -19.348
332 HA ARG 41 HA ARG 41 14.633 0.217 -21.051
333 HB2 ARG 41 HB2 ARG 41 12.158 0.478 -22.262
334 HB3 ARG 41 HB3 ARG 41 13.088 1.798 -22.959
335 HG2 ARG 41 HG2 ARG 41 13.471 0.059 -24.429
336 HG3 ARG 41 HG3 ARG 41 14.892 0.006 -23.383
337 HD2 ARG 41 HD2 ARG 41 12.466 -1.638 -22.764
338 HD3 ARG 41 HD3 ARG 41 13.657 -2.197 -23.938
339 HE ARG 41 HE ARG 41 13.939 -2.138 -21.088
340 HH11 ARG 41 HH11 ARG 41 15.658 -2.023 -24.113
341 HH12 ARG 41 HH12 ARG 41 17.138 -2.625 -23.445
342 HH21 ARG 41 HH21 ARG 41 15.882 -2.932 -20.196
343 HH22 ARG 41 HH22 ARG 41 17.265 -3.142 -21.216
Start of MODEL 9
1 H1 SER 1 H SER 1 8.456 -5.229 4.364
2 HA SER 1 HA SER 1 6.140 -3.817 4.666
3 HB2 SER 1 HB2 SER 1 8.789 -3.541 6.076
4 HB3 SER 1 HB3 SER 1 7.382 -2.594 6.557
5 HG SER 1 HG SER 1 6.310 -4.459 7.075
6 H GLU 2 H GLU 2 9.333 -2.290 4.196
7 HA GLU 2 HA GLU 2 8.187 0.274 3.670
8 HB2 GLU 2 HB2 GLU 2 10.567 -0.380 4.571
9 HB3 GLU 2 HB3 GLU 2 10.979 -0.438 2.863
10 HG2 GLU 2 HG2 GLU 2 11.555 1.715 3.564
11 HG3 GLU 2 HG3 GLU 2 10.031 1.904 2.699
12 H LYS 3 H LYS 3 7.068 0.657 1.877
13 HA LYS 3 HA LYS 3 7.539 -0.795 -0.562
14 HB2 LYS 3 HB2 LYS 3 5.557 1.188 0.414
15 HB3 LYS 3 HB3 LYS 3 5.819 1.125 -1.324
16 HG2 LYS 3 HG2 LYS 3 4.133 -0.386 -1.134
17 HG3 LYS 3 HG3 LYS 3 5.515 -1.465 -0.927
18 HD2 LYS 3 HD2 LYS 3 5.181 -1.661 1.359
19 HD3 LYS 3 HD3 LYS 3 4.263 -0.156 1.455
20 HE2 LYS 3 HE2 LYS 3 2.585 -1.455 -0.090
21 HE3 LYS 3 HE3 LYS 3 3.384 -2.872 0.589
22 HZ1 LYS 3 HZ1 LYS 3 2.182 -2.647 2.416
23 HZ2 LYS 3 HZ2 LYS 3 1.380 -1.318 1.743
24 HZ3 LYS 3 HZ3 LYS 3 2.777 -1.083 2.667
25 HA PRO 4 HA PRO 4 10.231 1.950 -2.675
26 HB2 PRO 4 HB2 PRO 4 9.232 1.929 -5.199
27 HB3 PRO 4 HB3 PRO 4 10.083 0.551 -4.491
28 HG2 PRO 4 HG2 PRO 4 7.140 1.017 -4.776
29 HG3 PRO 4 HG3 PRO 4 8.071 -0.465 -5.062
30 HD2 PRO 4 HD2 PRO 4 6.655 -0.050 -2.791
31 HD3 PRO 4 HD3 PRO 4 8.159 -0.992 -2.820
32 H GLN 5 H GLN 5 6.885 2.677 -2.456
33 HA GLN 5 HA GLN 5 7.217 5.340 -3.610
34 HB2 GLN 5 HB2 GLN 5 4.817 5.545 -3.439
35 HB3 GLN 5 HB3 GLN 5 5.209 3.999 -4.181
36 HG2 GLN 5 HG2 GLN 5 4.828 2.873 -2.052
37 HG3 GLN 5 HG3 GLN 5 4.447 4.421 -1.300
38 HE21 GLN 5 HE21 GLN 5 2.454 5.288 -1.554
39 HE22 GLN 5 HE22 GLN 5 1.164 4.515 -2.404
40 H GLN 6 H GLN 6 8.405 4.402 -1.006
41 HA GLN 6 HA GLN 6 7.005 5.964 0.988
42 HB2 GLN 6 HB2 GLN 6 9.360 4.136 0.976
43 HB3 GLN 6 HB3 GLN 6 9.228 5.311 2.278
44 HG2 GLN 6 HG2 GLN 6 7.019 3.406 1.565
45 HG3 GLN 6 HG3 GLN 6 8.279 3.029 2.739
46 HE21 GLN 6 HE21 GLN 6 8.608 5.122 4.239
47 HE22 GLN 6 HE22 GLN 6 7.146 5.636 5.001
48 H GLU 7 H GLU 7 9.722 6.304 -1.152
49 HA GLU 7 HA GLU 7 10.954 8.496 0.180
50 HB2 GLU 7 HB2 GLU 7 11.146 7.911 -2.770
51 HB3 GLU 7 HB3 GLU 7 12.333 8.701 -1.742
52 HG2 GLU 7 HG2 GLU 7 11.573 5.795 -1.767
53 HG3 GLU 7 HG3 GLU 7 13.119 6.512 -2.214
54 H LEU 8 H LEU 8 8.470 8.199 -2.285
55 HA LEU 8 HA LEU 8 8.341 10.785 -3.243
56 HB2 LEU 8 HB2 LEU 8 7.012 8.837 -4.042
57 HB3 LEU 8 HB3 LEU 8 5.975 9.022 -2.629
58 HG LEU 8 HG LEU 8 5.354 11.285 -3.452
59 HD11 LEU 8 HD11 LEU 8 6.724 10.464 -6.003
60 HD12 LEU 8 HD12 LEU 8 7.423 11.579 -4.830
61 HD13 LEU 8 HD13 LEU 8 5.918 11.993 -5.651
62 HD21 LEU 8 HD21 LEU 8 3.964 10.447 -5.355
63 HD22 LEU 8 HD22 LEU 8 3.849 9.484 -3.882
64 HD23 LEU 8 HD23 LEU 8 4.827 8.914 -5.235
65 H GLU 9 H GLU 9 6.664 9.438 -0.406
66 HA GLU 9 HA GLU 9 5.266 11.675 0.399
67 HB2 GLU 9 HB2 GLU 9 6.612 9.606 2.144
68 HB3 GLU 9 HB3 GLU 9 5.381 10.736 2.690
69 HG2 GLU 9 HG2 GLU 9 3.842 9.741 0.984
70 HG3 GLU 9 HG3 GLU 9 5.067 8.506 0.700
71 H GLU 10 H GLU 10 8.669 10.949 0.769
72 HA GLU 10 HA GLU 10 9.207 13.064 2.619
73 HB2 GLU 10 HB2 GLU 10 11.179 11.666 0.809
74 HB3 GLU 10 HB3 GLU 10 11.529 12.528 2.301
75 HG2 GLU 10 HG2 GLU 10 10.017 10.790 3.427
76 HG3 GLU 10 HG3 GLU 10 10.208 9.867 1.937
77 H CYS 11 H CYS 11 9.480 12.666 -0.882
78 HA CYS 11 HA CYS 11 10.759 15.118 -1.419
79 HB2 CYS 11 HB2 CYS 11 10.326 13.035 -2.947
80 HB3 CYS 11 HB3 CYS 11 8.838 13.882 -3.360
81 H GLN 12 H GLN 12 7.320 14.211 -1.526
82 HA GLN 12 HA GLN 12 6.381 16.787 -2.213
83 HB2 GLN 12 HB2 GLN 12 4.897 14.587 -0.765
84 HB3 GLN 12 HB3 GLN 12 4.174 15.948 -1.614
85 HG2 GLN 12 HG2 GLN 12 5.565 14.954 -3.632
86 HG3 GLN 12 HG3 GLN 12 5.407 13.475 -2.686
87 HE21 GLN 12 HE21 GLN 12 4.065 15.173 -5.110
88 HE22 GLN 12 HE22 GLN 12 2.431 14.621 -5.003
89 H ASN 13 H ASN 13 6.766 15.128 0.892
90 HA ASN 13 HA ASN 13 5.547 16.985 2.554
91 HB2 ASN 13 HB2 ASN 13 6.199 14.900 3.491
92 HB3 ASN 13 HB3 ASN 13 7.880 15.130 3.018
93 HD21 ASN 13 HD21 ASN 13 9.108 15.461 4.711
94 HD22 ASN 13 HD22 ASN 13 8.702 16.401 6.102
95 H VAL 14 H VAL 14 8.848 16.926 1.288
96 HA VAL 14 HA VAL 14 9.754 19.190 2.748
97 HB VAL 14 HB VAL 14 10.828 18.005 0.184
98 HG11 VAL 14 HG11 VAL 14 11.688 20.196 0.330
99 HG12 VAL 14 HG12 VAL 14 11.938 20.066 2.072
100 HG13 VAL 14 HG13 VAL 14 12.955 19.145 0.963
101 HG21 VAL 14 HG21 VAL 14 11.804 16.414 1.401
102 HG22 VAL 14 HG22 VAL 14 12.382 17.579 2.591
103 HG23 VAL 14 HG23 VAL 14 10.758 16.907 2.733
104 H CYS 15 H CYS 15 8.387 18.744 -0.480
105 HA CYS 15 HA CYS 15 8.808 21.302 -1.498
106 HB2 CYS 15 HB2 CYS 15 6.572 19.332 -2.001
107 HB3 CYS 15 HB3 CYS 15 6.786 20.813 -2.929
108 H ARG 16 H ARG 16 6.167 20.052 0.497
109 HA ARG 16 HA ARG 16 4.581 22.388 0.437
110 HB2 ARG 16 HB2 ARG 16 4.714 20.276 2.596
111 HB3 ARG 16 HB3 ARG 16 3.404 21.420 2.340
112 HG2 ARG 16 HG2 ARG 16 2.559 20.275 0.571
113 HG3 ARG 16 HG3 ARG 16 4.136 19.658 0.075
114 HD2 ARG 16 HD2 ARG 16 4.042 18.264 2.229
115 HD3 ARG 16 HD3 ARG 16 2.325 18.663 2.251
116 HE ARG 16 HE ARG 16 3.257 17.563 -0.244
117 HH11 ARG 16 HH11 ARG 16 1.967 16.866 2.914
118 HH12 ARG 16 HH12 ARG 16 1.326 15.323 2.455
119 HH21 ARG 16 HH21 ARG 16 2.418 15.534 -0.860
120 HH22 ARG 16 HH22 ARG 16 1.584 14.566 0.308
121 H MET 17 H MET 17 7.467 21.591 2.114
122 HA MET 17 HA MET 17 7.092 23.590 4.183
123 HB2 MET 17 HB2 MET 17 9.171 21.544 3.549
124 HB3 MET 17 HB3 MET 17 9.624 22.916 4.551
125 HG2 MET 17 HG2 MET 17 7.433 22.232 5.854
126 HG3 MET 17 HG3 MET 17 7.785 20.665 5.130
127 HE1 MET 17 HE1 MET 17 8.233 23.167 7.560
128 HE2 MET 17 HE2 MET 17 8.399 21.901 8.776
129 HE3 MET 17 HE3 MET 17 9.768 22.949 8.401
130 H LYS 18 H LYS 18 7.720 23.814 1.024
131 HA LYS 18 HA LYS 18 9.987 25.563 0.997
132 HB2 LYS 18 HB2 LYS 18 7.858 25.003 -1.074
133 HB3 LYS 18 HB3 LYS 18 9.270 26.012 -1.359
134 HG2 LYS 18 HG2 LYS 18 9.284 23.081 -0.670
135 HG3 LYS 18 HG3 LYS 18 9.618 23.793 -2.250
136 HD2 LYS 18 HD2 LYS 18 11.422 25.135 -0.832
137 HD3 LYS 18 HD3 LYS 18 11.300 23.706 0.197
138 HE2 LYS 18 HE2 LYS 18 13.035 23.226 -1.310
139 HE3 LYS 18 HE3 LYS 18 11.638 22.345 -1.926
140 HZ1 LYS 18 HZ1 LYS 18 13.132 23.828 -3.480
141 HZ2 LYS 18 HZ2 LYS 18 12.094 25.049 -2.938
142 HZ3 LYS 18 HZ3 LYS 18 11.464 23.693 -3.728
143 H ARG 19 H ARG 19 10.013 27.614 1.611
144 HA ARG 19 HA ARG 19 7.500 29.046 1.963
145 HB2 ARG 19 HB2 ARG 19 9.683 28.926 3.539
146 HB3 ARG 19 HB3 ARG 19 10.077 30.362 2.603
147 HG2 ARG 19 HG2 ARG 19 7.751 31.199 3.230
148 HG3 ARG 19 HG3 ARG 19 7.743 29.901 4.425
149 HD2 ARG 19 HD2 ARG 19 9.900 31.996 4.221
150 HD3 ARG 19 HD3 ARG 19 8.506 32.119 5.293
151 HE ARG 19 HE ARG 19 9.725 29.677 5.808
152 HH11 ARG 19 HH11 ARG 19 10.492 33.065 6.045
153 HH12 ARG 19 HH12 ARG 19 11.573 32.860 7.383
154 HH21 ARG 19 HH21 ARG 19 11.146 29.395 7.570
155 HH22 ARG 19 HH22 ARG 19 11.945 30.772 8.249
156 H TRP 20 H TRP 20 8.025 28.641 -0.690
157 HA TRP 20 HA TRP 20 9.115 31.185 -1.671
158 HB2 TRP 20 HB2 TRP 20 8.788 28.467 -2.865
159 HB3 TRP 20 HB3 TRP 20 8.754 29.862 -3.940
160 HD1 TRP 20 HD1 TRP 20 11.086 28.766 -1.018
161 HE1 TRP 20 HE1 TRP 20 13.518 29.122 -1.784
162 HE3 TRP 20 HE3 TRP 20 10.200 30.593 -5.710
163 HZ2 TRP 20 HZ2 TRP 20 14.880 30.054 -4.074
164 HZ3 TRP 20 HZ3 TRP 20 12.122 31.193 -7.124
165 HH2 TRP 20 HH2 TRP 20 14.412 30.929 -6.321
166 H SER 21 H SER 21 6.459 28.982 -2.592
167 HA SER 21 HA SER 21 4.411 30.880 -2.304
168 HB2 SER 21 HB2 SER 21 3.933 31.326 -4.711
169 HB3 SER 21 HB3 SER 21 5.443 32.053 -4.160
170 HG SER 21 HG SER 21 5.879 31.048 -6.080
171 H THR 22 H THR 22 2.365 30.039 -2.804
172 HA THR 22 HA THR 22 2.007 27.320 -2.524
173 HB THR 22 HB THR 22 0.174 28.822 -2.102
174 HG1 THR 22 HG1 THR 22 -0.525 26.782 -2.696
175 HG21 THR 22 HG21 THR 22 -0.969 30.055 -3.827
176 HG22 THR 22 HG22 THR 22 0.061 29.348 -5.072
177 HG23 THR 22 HG23 THR 22 0.746 30.461 -3.888
178 H GLU 23 H GLU 23 2.207 29.220 -5.496
179 HA GLU 23 HA GLU 23 1.497 27.190 -7.299
180 HB2 GLU 23 HB2 GLU 23 1.557 29.486 -8.022
181 HB3 GLU 23 HB3 GLU 23 3.270 29.609 -7.647
182 HG2 GLU 23 HG2 GLU 23 3.827 28.105 -9.430
183 HG3 GLU 23 HG3 GLU 23 2.122 27.788 -9.747
184 H MET 24 H MET 24 4.651 28.168 -6.013
185 HA MET 24 HA MET 24 6.190 26.366 -7.547
186 HB2 MET 24 HB2 MET 24 6.687 27.826 -4.964
187 HB3 MET 24 HB3 MET 24 7.876 26.714 -5.630
188 HG2 MET 24 HG2 MET 24 6.770 28.922 -7.310
189 HG3 MET 24 HG3 MET 24 8.055 29.239 -6.145
190 HE1 MET 24 HE1 MET 24 7.177 28.764 -9.443
191 HE2 MET 24 HE2 MET 24 8.528 28.034 -10.311
192 HE3 MET 24 HE3 MET 24 7.302 27.009 -9.565
193 H VAL 25 H VAL 25 4.510 26.065 -4.482
194 HA VAL 25 HA VAL 25 5.676 23.632 -3.645
195 HB VAL 25 HB VAL 25 2.929 24.717 -3.004
196 HG11 VAL 25 HG11 VAL 25 3.028 23.285 -1.039
197 HG12 VAL 25 HG12 VAL 25 3.164 22.325 -2.514
198 HG13 VAL 25 HG13 VAL 25 4.600 22.670 -1.549
199 HG21 VAL 25 HG21 VAL 25 3.874 26.168 -1.601
200 HG22 VAL 25 HG22 VAL 25 4.945 24.936 -0.935
201 HG23 VAL 25 HG23 VAL 25 5.407 25.808 -2.396
202 H HIS 26 H HIS 26 2.660 24.326 -5.399
203 HA HIS 26 HA HIS 26 1.791 21.676 -5.666
204 HB2 HIS 26 HB2 HIS 26 0.794 24.132 -6.368
205 HB3 HIS 26 HB3 HIS 26 1.164 23.429 -7.940
206 HD1 HIS 26 HD1 HIS 26 -1.098 22.789 -8.772
207 HD2 HIS 26 HD2 HIS 26 -0.427 21.498 -4.880
208 HE1 HIS 26 HE1 HIS 26 -3.076 21.349 -8.191
209 H ARG 27 H ARG 27 3.591 23.707 -7.978
210 HA ARG 27 HA ARG 27 3.918 21.810 -9.981
211 HB2 ARG 27 HB2 ARG 27 5.361 24.280 -9.167
212 HB3 ARG 27 HB3 ARG 27 6.181 23.200 -10.287
213 HG2 ARG 27 HG2 ARG 27 5.110 24.494 -11.798
214 HG3 ARG 27 HG3 ARG 27 3.821 23.323 -11.509
215 HD2 ARG 27 HD2 ARG 27 2.771 24.812 -9.923
216 HD3 ARG 27 HD3 ARG 27 4.107 25.955 -10.065
217 HE ARG 27 HE ARG 27 1.867 25.734 -11.798
218 HH11 ARG 27 HH11 ARG 27 5.274 26.447 -11.751
219 HH12 ARG 27 HH12 ARG 27 5.216 27.453 -13.161
220 HH21 ARG 27 HH21 ARG 27 1.777 27.056 -13.654
221 HH22 ARG 27 HH22 ARG 27 3.226 27.800 -14.242
222 H CYS 28 H CYS 28 5.785 22.352 -7.046
223 HA CYS 28 HA CYS 28 7.953 20.665 -7.631
224 HB2 CYS 28 HB2 CYS 28 7.844 22.322 -5.752
225 HB3 CYS 28 HB3 CYS 28 6.779 21.209 -4.899
226 H GLU 29 H GLU 29 5.053 19.999 -5.661
227 HA GLU 29 HA GLU 29 5.540 17.318 -5.154
228 HB2 GLU 29 HB2 GLU 29 2.942 18.817 -5.478
229 HB3 GLU 29 HB3 GLU 29 3.015 17.137 -4.964
230 HG2 GLU 29 HG2 GLU 29 4.714 18.168 -3.198
231 HG3 GLU 29 HG3 GLU 29 3.740 19.604 -3.505
232 H LYS 30 H LYS 30 3.643 18.732 -7.815
233 HA LYS 30 HA LYS 30 2.921 16.382 -9.100
234 HB2 LYS 30 HB2 LYS 30 3.468 19.151 -10.154
235 HB3 LYS 30 HB3 LYS 30 2.918 17.849 -11.201
236 HG2 LYS 30 HG2 LYS 30 1.028 17.618 -9.400
237 HG3 LYS 30 HG3 LYS 30 1.465 19.291 -9.042
238 HD2 LYS 30 HD2 LYS 30 0.879 18.355 -11.838
239 HD3 LYS 30 HD3 LYS 30 -0.395 18.907 -10.748
240 HE2 LYS 30 HE2 LYS 30 0.847 21.043 -10.476
241 HE3 LYS 30 HE3 LYS 30 2.000 20.483 -11.685
242 HZ1 LYS 30 HZ1 LYS 30 -0.759 20.335 -12.515
243 HZ2 LYS 30 HZ2 LYS 30 0.591 20.928 -13.345
244 HZ3 LYS 30 HZ3 LYS 30 -0.212 21.909 -12.225
245 H LYS 31 H LYS 31 5.937 18.174 -9.213
246 HA LYS 31 HA LYS 31 7.071 16.777 -11.409
247 HB2 LYS 31 HB2 LYS 31 8.029 18.661 -9.332
248 HB3 LYS 31 HB3 LYS 31 9.249 17.624 -10.061
249 HG2 LYS 31 HG2 LYS 31 8.659 18.437 -12.268
250 HG3 LYS 31 HG3 LYS 31 7.374 19.430 -11.577
251 HD2 LYS 31 HD2 LYS 31 9.080 20.967 -11.798
252 HD3 LYS 31 HD3 LYS 31 9.306 20.426 -10.133
253 HE2 LYS 31 HE2 LYS 31 11.445 20.483 -11.221
254 HE3 LYS 31 HE3 LYS 31 10.996 18.800 -10.950
255 HZ1 LYS 31 HZ1 LYS 31 11.656 20.045 -13.365
256 HZ2 LYS 31 HZ2 LYS 31 10.032 19.580 -13.460
257 HZ3 LYS 31 HZ3 LYS 31 11.222 18.431 -13.106
258 H CYS 32 H CYS 32 7.554 16.477 -7.891
259 HA CYS 32 HA CYS 32 9.319 14.321 -7.945
260 HB2 CYS 32 HB2 CYS 32 7.322 15.253 -5.892
261 HB3 CYS 32 HB3 CYS 32 8.348 13.851 -5.611
262 H GLU 33 H GLU 33 5.895 14.439 -8.442
263 HA GLU 33 HA GLU 33 5.406 11.659 -7.957
264 HB2 GLU 33 HB2 GLU 33 3.414 12.724 -7.750
265 HB3 GLU 33 HB3 GLU 33 3.853 13.988 -8.890
266 HG2 GLU 33 HG2 GLU 33 1.989 12.665 -9.708
267 HG3 GLU 33 HG3 GLU 33 3.399 12.493 -10.751
268 H GLU 34 H GLU 34 5.706 13.651 -10.890
269 HA GLU 34 HA GLU 34 5.451 11.474 -12.691
270 HB2 GLU 34 HB2 GLU 34 6.342 13.078 -14.378
271 HB3 GLU 34 HB3 GLU 34 4.976 13.701 -13.463
272 HG2 GLU 34 HG2 GLU 34 6.501 14.981 -12.050
273 HG3 GLU 34 HG3 GLU 34 7.871 14.355 -12.965
274 H LYS 35 H LYS 35 8.215 13.124 -11.244
275 HA LYS 35 HA LYS 35 10.211 11.784 -12.737
276 HB2 LYS 35 HB2 LYS 35 10.124 13.795 -10.775
277 HB3 LYS 35 HB3 LYS 35 11.116 12.511 -10.095
278 HG2 LYS 35 HG2 LYS 35 12.568 14.006 -11.220
279 HG3 LYS 35 HG3 LYS 35 12.457 12.548 -12.208
280 HD2 LYS 35 HD2 LYS 35 10.869 13.636 -13.684
281 HD3 LYS 35 HD3 LYS 35 10.875 15.077 -12.665
282 HE2 LYS 35 HE2 LYS 35 12.358 15.710 -14.293
283 HE3 LYS 35 HE3 LYS 35 13.460 14.995 -13.118
284 HZ1 LYS 35 HZ1 LYS 35 13.490 14.343 -15.668
285 HZ2 LYS 35 HZ2 LYS 35 12.345 13.215 -15.141
286 HZ3 LYS 35 HZ3 LYS 35 13.890 13.237 -14.452
287 H PHE 36 H PHE 36 8.178 10.763 -10.209
288 HA PHE 36 HA PHE 36 9.919 8.795 -9.073
289 HB2 PHE 36 HB2 PHE 36 7.529 9.935 -8.318
290 HB3 PHE 36 HB3 PHE 36 7.043 8.309 -8.788
291 HD1 PHE 36 HD2 PHE 36 9.170 10.263 -6.508
292 HD2 PHE 36 HD1 PHE 36 7.617 6.419 -7.471
293 HE1 PHE 36 HE2 PHE 36 9.942 9.410 -4.333
294 HE2 PHE 36 HE1 PHE 36 8.386 5.560 -5.298
295 HZ PHE 36 HZ PHE 36 9.552 7.055 -3.726
296 H GLU 37 H GLU 37 7.670 8.904 -11.727
297 HA GLU 37 HA GLU 37 7.275 6.127 -12.053
298 HB2 GLU 37 HB2 GLU 37 6.943 8.531 -13.797
299 HB3 GLU 37 HB3 GLU 37 6.879 6.937 -14.535
300 HG2 GLU 37 HG2 GLU 37 5.174 7.704 -12.187
301 HG3 GLU 37 HG3 GLU 37 4.675 7.959 -13.858
302 H ARG 38 H ARG 38 8.743 4.645 -12.525
303 HA ARG 38 HA ARG 38 11.329 5.344 -13.547
304 HB2 ARG 38 HB2 ARG 38 9.990 2.848 -12.625
305 HB3 ARG 38 HB3 ARG 38 11.399 2.686 -13.664
306 HG2 ARG 38 HG2 ARG 38 12.419 2.651 -11.637
307 HG3 ARG 38 HG3 ARG 38 12.431 4.391 -11.932
308 HD2 ARG 38 HD2 ARG 38 10.200 4.442 -10.695
309 HD3 ARG 38 HD3 ARG 38 10.586 2.803 -10.171
310 HE ARG 38 HE ARG 38 12.748 4.537 -9.621
311 HH11 ARG 38 HH11 ARG 38 9.532 3.753 -8.540
312 HH12 ARG 38 HH12 ARG 38 9.819 4.255 -6.906
313 HH21 ARG 38 HH21 ARG 38 13.137 5.201 -7.473
314 HH22 ARG 38 HH22 ARG 38 11.869 5.079 -6.301
315 H GLN 39 H GLN 39 12.206 4.914 -15.544
316 HA GLN 39 HA GLN 39 12.263 4.656 -17.803
317 HB2 GLN 39 HB2 GLN 39 11.161 2.342 -16.803
318 HB3 GLN 39 HB3 GLN 39 9.977 2.835 -18.007
319 HG2 GLN 39 HG2 GLN 39 11.937 3.061 -19.610
320 HG3 GLN 39 HG3 GLN 39 12.878 2.188 -18.401
321 HE21 GLN 39 HE21 GLN 39 13.146 0.600 -20.092
322 HE22 GLN 39 HE22 GLN 39 11.912 -0.580 -20.355
323 H GLN 40 H GLN 40 10.600 6.722 -16.677
324 HA GLN 40 HA GLN 40 8.158 6.868 -18.161
325 HB2 GLN 40 HB2 GLN 40 7.813 8.939 -17.129
326 HB3 GLN 40 HB3 GLN 40 8.729 8.027 -15.936
327 HG2 GLN 40 HG2 GLN 40 9.838 10.093 -17.824
328 HG3 GLN 40 HG3 GLN 40 9.534 10.308 -16.101
329 HE21 GLN 40 HE21 GLN 40 10.787 9.044 -14.612
330 HE22 GLN 40 HE22 GLN 40 12.375 8.522 -15.048
331 H ARG 41 H ARG 41 7.805 9.032 -19.447
332 HA ARG 41 HA ARG 41 10.062 9.853 -21.046
333 HB2 ARG 41 HB2 ARG 41 8.651 7.629 -21.918
334 HB3 ARG 41 HB3 ARG 41 7.947 8.953 -22.837
335 HG2 ARG 41 HG2 ARG 41 10.890 8.337 -22.689
336 HG3 ARG 41 HG3 ARG 41 9.814 7.850 -24.000
337 HD2 ARG 41 HD2 ARG 41 9.265 10.460 -23.963
338 HD3 ARG 41 HD3 ARG 41 10.907 10.520 -23.322
339 HE ARG 41 HE ARG 41 10.900 8.894 -25.601
340 HH11 ARG 41 HH11 ARG 41 10.466 12.233 -24.713
341 HH12 ARG 41 HH12 ARG 41 11.043 12.846 -26.227
342 HH21 ARG 41 HH21 ARG 41 11.661 9.689 -27.599
343 HH22 ARG 41 HH22 ARG 41 11.722 11.398 -27.868
Start of MODEL 10
1 H1 SER 1 H SER 1 2.600 1.169 -0.163
2 HA SER 1 HA SER 1 4.905 -0.529 0.288
3 HB2 SER 1 HB2 SER 1 2.032 -1.087 -0.453
4 HB3 SER 1 HB3 SER 1 3.255 -2.356 -0.391
5 HG SER 1 HG SER 1 2.549 -0.633 1.754
6 H GLU 2 H GLU 2 2.686 0.096 -2.434
7 HA GLU 2 HA GLU 2 4.185 -1.341 -4.339
8 HB2 GLU 2 HB2 GLU 2 1.992 0.677 -4.450
9 HB3 GLU 2 HB3 GLU 2 2.876 0.331 -5.930
10 HG2 GLU 2 HG2 GLU 2 2.056 -1.784 -6.097
11 HG3 GLU 2 HG3 GLU 2 1.865 -1.967 -4.354
12 H LYS 3 H LYS 3 6.115 -0.888 -5.138
13 HA LYS 3 HA LYS 3 7.942 0.238 -5.893
14 HB2 LYS 3 HB2 LYS 3 5.674 1.938 -6.590
15 HB3 LYS 3 HB3 LYS 3 7.161 2.851 -6.373
16 HG2 LYS 3 HG2 LYS 3 7.252 2.347 -8.608
17 HG3 LYS 3 HG3 LYS 3 8.187 1.020 -7.914
18 HD2 LYS 3 HD2 LYS 3 6.505 -0.525 -8.269
19 HD3 LYS 3 HD3 LYS 3 5.241 0.707 -8.305
20 HE2 LYS 3 HE2 LYS 3 5.747 1.335 -10.488
21 HE3 LYS 3 HE3 LYS 3 7.360 0.627 -10.420
22 HZ1 LYS 3 HZ1 LYS 3 4.810 -0.897 -10.461
23 HZ2 LYS 3 HZ2 LYS 3 6.361 -1.569 -10.415
24 HZ3 LYS 3 HZ3 LYS 3 5.857 -0.698 -11.774
25 HA PRO 4 HA PRO 4 9.753 2.365 -2.511
26 HB2 PRO 4 HB2 PRO 4 11.606 3.934 -3.725
27 HB3 PRO 4 HB3 PRO 4 11.771 2.179 -3.593
28 HG2 PRO 4 HG2 PRO 4 10.829 3.824 -5.910
29 HG3 PRO 4 HG3 PRO 4 11.922 2.428 -5.901
30 HD2 PRO 4 HD2 PRO 4 9.309 2.228 -6.583
31 HD3 PRO 4 HD3 PRO 4 10.190 0.913 -5.778
32 H GLN 5 H GLN 5 7.575 3.516 -2.311
33 HA GLN 5 HA GLN 5 7.309 6.171 -3.290
34 HB2 GLN 5 HB2 GLN 5 5.426 6.340 -1.722
35 HB3 GLN 5 HB3 GLN 5 5.361 4.849 -2.652
36 HG2 GLN 5 HG2 GLN 5 4.869 4.058 -0.576
37 HG3 GLN 5 HG3 GLN 5 6.621 3.868 -0.575
38 HE21 GLN 5 HE21 GLN 5 7.448 4.393 1.306
39 HE22 GLN 5 HE22 GLN 5 6.945 5.700 2.317
40 H GLN 6 H GLN 6 9.235 4.851 -0.875
41 HA GLN 6 HA GLN 6 9.213 6.740 1.157
42 HB2 GLN 6 HB2 GLN 6 10.470 4.586 1.182
43 HB3 GLN 6 HB3 GLN 6 11.648 5.303 0.091
44 HG2 GLN 6 HG2 GLN 6 12.613 5.492 2.200
45 HG3 GLN 6 HG3 GLN 6 11.959 7.096 1.872
46 HE21 GLN 6 HE21 GLN 6 11.214 4.041 3.481
47 HE22 GLN 6 HE22 GLN 6 10.277 4.735 4.755
48 H GLU 7 H GLU 7 10.605 6.900 -2.038
49 HA GLU 7 HA GLU 7 12.231 9.200 -1.528
50 HB2 GLU 7 HB2 GLU 7 11.813 7.376 -3.682
51 HB3 GLU 7 HB3 GLU 7 11.593 9.009 -4.295
52 HG2 GLU 7 HG2 GLU 7 13.844 8.628 -4.622
53 HG3 GLU 7 HG3 GLU 7 13.813 9.526 -3.106
54 H LEU 8 H LEU 8 8.981 8.637 -2.739
55 HA LEU 8 HA LEU 8 8.410 11.167 -3.757
56 HB2 LEU 8 HB2 LEU 8 7.002 9.109 -3.958
57 HB3 LEU 8 HB3 LEU 8 6.482 9.372 -2.294
58 HG LEU 8 HG LEU 8 5.390 11.434 -2.919
59 HD11 LEU 8 HD11 LEU 8 6.419 10.887 -5.699
60 HD12 LEU 8 HD12 LEU 8 6.939 12.190 -4.631
61 HD13 LEU 8 HD13 LEU 8 5.289 12.166 -5.252
62 HD21 LEU 8 HD21 LEU 8 4.366 9.804 -5.115
63 HD22 LEU 8 HD22 LEU 8 3.561 10.377 -3.654
64 HD23 LEU 8 HD23 LEU 8 4.553 8.920 -3.601
65 H GLU 9 H GLU 9 7.922 9.905 -0.466
66 HA GLU 9 HA GLU 9 6.744 12.105 0.705
67 HB2 GLU 9 HB2 GLU 9 8.530 9.939 1.727
68 HB3 GLU 9 HB3 GLU 9 8.153 11.290 2.786
69 HG2 GLU 9 HG2 GLU 9 5.778 10.835 2.555
70 HG3 GLU 9 HG3 GLU 9 6.129 9.507 1.449
71 H GLU 10 H GLU 10 10.143 11.540 -0.010
72 HA GLU 10 HA GLU 10 11.130 13.800 1.405
73 HB2 GLU 10 HB2 GLU 10 12.328 12.188 -0.853
74 HB3 GLU 10 HB3 GLU 10 13.191 13.436 0.035
75 HG2 GLU 10 HG2 GLU 10 11.950 11.084 1.418
76 HG3 GLU 10 HG3 GLU 10 13.568 11.014 0.722
77 H CYS 11 H CYS 11 10.175 13.235 -1.950
78 HA CYS 11 HA CYS 11 11.016 15.695 -3.007
79 HB2 CYS 11 HB2 CYS 11 10.122 13.530 -4.180
80 HB3 CYS 11 HB3 CYS 11 8.556 14.317 -4.023
81 H GLN 12 H GLN 12 7.755 14.701 -1.957
82 HA GLN 12 HA GLN 12 6.564 17.223 -2.255
83 HB2 GLN 12 HB2 GLN 12 5.785 15.042 -0.312
84 HB3 GLN 12 HB3 GLN 12 4.756 16.351 -0.877
85 HG2 GLN 12 HG2 GLN 12 5.462 15.258 -3.231
86 HG3 GLN 12 HG3 GLN 12 5.517 13.834 -2.193
87 HE21 GLN 12 HE21 GLN 12 3.712 14.059 -4.262
88 HE22 GLN 12 HE22 GLN 12 2.116 14.195 -3.616
89 H ASN 13 H ASN 13 8.132 15.698 0.527
90 HA ASN 13 HA ASN 13 7.522 17.542 2.495
91 HB2 ASN 13 HB2 ASN 13 8.625 15.570 3.179
92 HB3 ASN 13 HB3 ASN 13 9.952 15.820 2.048
93 HD21 ASN 13 HD21 ASN 13 11.751 16.303 3.052
94 HD22 ASN 13 HD22 ASN 13 11.906 17.295 4.458
95 H VAL 14 H VAL 14 10.140 17.624 0.112
96 HA VAL 14 HA VAL 14 11.314 20.025 1.085
97 HB VAL 14 HB VAL 14 11.523 18.765 -1.653
98 HG11 VAL 14 HG11 VAL 14 12.605 21.224 -0.524
99 HG12 VAL 14 HG12 VAL 14 13.845 20.155 -1.182
100 HG13 VAL 14 HG13 VAL 14 12.511 20.693 -2.203
101 HG21 VAL 14 HG21 VAL 14 12.990 17.311 -0.815
102 HG22 VAL 14 HG22 VAL 14 13.835 18.569 0.087
103 HG23 VAL 14 HG23 VAL 14 12.413 17.790 0.781
104 H CYS 15 H CYS 15 8.852 19.295 -1.316
105 HA CYS 15 HA CYS 15 8.706 21.784 -2.579
106 HB2 CYS 15 HB2 CYS 15 6.519 19.759 -2.061
107 HB3 CYS 15 HB3 CYS 15 6.382 21.117 -3.173
108 H ARG 16 H ARG 16 7.040 20.570 0.304
109 HA ARG 16 HA ARG 16 5.455 22.872 0.730
110 HB2 ARG 16 HB2 ARG 16 6.410 20.896 2.808
111 HB3 ARG 16 HB3 ARG 16 5.013 21.958 2.925
112 HG2 ARG 16 HG2 ARG 16 3.855 20.742 1.230
113 HG3 ARG 16 HG3 ARG 16 5.293 19.789 0.860
114 HD2 ARG 16 HD2 ARG 16 3.732 19.753 3.440
115 HD3 ARG 16 HD3 ARG 16 3.739 18.496 2.204
116 HE ARG 16 HE ARG 16 6.370 18.983 3.103
117 HH11 ARG 16 HH11 ARG 16 3.372 17.528 4.111
118 HH12 ARG 16 HH12 ARG 16 4.132 16.385 5.169
119 HH21 ARG 16 HH21 ARG 16 7.382 17.484 4.493
120 HH22 ARG 16 HH22 ARG 16 6.412 16.362 5.386
121 H MET 17 H MET 17 8.769 22.180 1.326
122 HA MET 17 HA MET 17 9.087 24.264 3.315
123 HB2 MET 17 HB2 MET 17 10.727 22.088 2.224
124 HB3 MET 17 HB3 MET 17 11.626 23.564 2.548
125 HG2 MET 17 HG2 MET 17 9.870 22.938 4.739
126 HG3 MET 17 HG3 MET 17 10.921 21.574 4.362
127 HE1 MET 17 HE1 MET 17 11.312 21.922 6.739
128 HE2 MET 17 HE2 MET 17 12.950 22.445 7.133
129 HE3 MET 17 HE3 MET 17 11.584 23.519 7.438
130 H LYS 18 H LYS 18 8.560 24.362 0.131
131 HA LYS 18 HA LYS 18 10.620 26.141 -0.754
132 HB2 LYS 18 HB2 LYS 18 7.913 25.471 -1.918
133 HB3 LYS 18 HB3 LYS 18 9.109 26.482 -2.718
134 HG2 LYS 18 HG2 LYS 18 9.417 23.578 -1.988
135 HG3 LYS 18 HG3 LYS 18 9.192 24.244 -3.607
136 HD2 LYS 18 HD2 LYS 18 11.333 25.599 -3.090
137 HD3 LYS 18 HD3 LYS 18 11.584 24.413 -1.808
138 HE2 LYS 18 HE2 LYS 18 11.165 22.683 -3.712
139 HE3 LYS 18 HE3 LYS 18 11.567 24.031 -4.773
140 HZ1 LYS 18 HZ1 LYS 18 13.477 22.588 -4.153
141 HZ2 LYS 18 HZ2 LYS 18 13.312 23.118 -2.556
142 HZ3 LYS 18 HZ3 LYS 18 13.698 24.222 -3.777
143 H ARG 19 H ARG 19 10.779 28.255 -0.415
144 HA ARG 19 HA ARG 19 8.566 29.652 0.868
145 HB2 ARG 19 HB2 ARG 19 11.466 30.350 0.427
146 HB3 ARG 19 HB3 ARG 19 10.305 31.499 1.079
147 HG2 ARG 19 HG2 ARG 19 10.663 28.816 2.349
148 HG3 ARG 19 HG3 ARG 19 11.776 30.140 2.699
149 HD2 ARG 19 HD2 ARG 19 8.811 30.520 2.907
150 HD3 ARG 19 HD3 ARG 19 9.726 29.795 4.229
151 HE ARG 19 HE ARG 19 9.651 32.553 3.508
152 HH11 ARG 19 HH11 ARG 19 11.675 30.065 4.863
153 HH12 ARG 19 HH12 ARG 19 12.649 31.172 5.773
154 HH21 ARG 19 HH21 ARG 19 10.927 34.020 4.701
155 HH22 ARG 19 HH22 ARG 19 12.222 33.421 5.680
156 H TRP 20 H TRP 20 8.012 29.041 -1.759
157 HA TRP 20 HA TRP 20 8.407 31.566 -3.211
158 HB2 TRP 20 HB2 TRP 20 7.750 28.771 -4.119
159 HB3 TRP 20 HB3 TRP 20 7.485 30.163 -5.166
160 HD1 TRP 20 HD1 TRP 20 10.544 29.488 -2.883
161 HE1 TRP 20 HE1 TRP 20 12.652 29.500 -4.360
162 HE3 TRP 20 HE3 TRP 20 8.329 30.063 -7.455
163 HZ2 TRP 20 HZ2 TRP 20 13.291 29.724 -7.100
164 HZ3 TRP 20 HZ3 TRP 20 9.760 30.167 -9.454
165 HH2 TRP 20 HH2 TRP 20 12.189 30.002 -9.278
166 H SER 21 H SER 21 5.833 29.098 -3.070
167 HA SER 21 HA SER 21 3.855 30.785 -2.017
168 HB2 SER 21 HB2 SER 21 2.493 31.154 -4.072
169 HB3 SER 21 HB3 SER 21 4.023 32.030 -4.094
170 HG SER 21 HG SER 21 3.526 30.909 -6.075
171 H THR 22 H THR 22 1.789 29.771 -1.889
172 HA THR 22 HA THR 22 1.807 27.049 -1.459
173 HB THR 22 HB THR 22 0.043 28.401 -0.534
174 HG1 THR 22 HG1 THR 22 -1.121 26.625 -2.435
175 HG21 THR 22 HG21 THR 22 -0.094 29.963 -2.503
176 HG22 THR 22 HG22 THR 22 -1.650 29.479 -1.827
177 HG23 THR 22 HG23 THR 22 -1.066 28.739 -3.318
178 H GLU 23 H GLU 23 0.943 28.808 -4.396
179 HA GLU 23 HA GLU 23 -0.093 26.658 -5.863
180 HB2 GLU 23 HB2 GLU 23 1.131 29.289 -6.584
181 HB3 GLU 23 HB3 GLU 23 0.829 28.112 -7.854
182 HG2 GLU 23 HG2 GLU 23 -1.092 29.370 -7.892
183 HG3 GLU 23 HG3 GLU 23 -1.559 28.018 -6.862
184 H MET 24 H MET 24 3.218 27.884 -5.570
185 HA MET 24 HA MET 24 4.380 26.122 -7.443
186 HB2 MET 24 HB2 MET 24 5.366 27.916 -5.296
187 HB3 MET 24 HB3 MET 24 6.455 26.635 -5.813
188 HG2 MET 24 HG2 MET 24 5.148 28.439 -7.808
189 HG3 MET 24 HG3 MET 24 6.605 28.933 -6.949
190 HE1 MET 24 HE1 MET 24 6.468 27.070 -10.789
191 HE2 MET 24 HE2 MET 24 5.371 26.103 -9.803
192 HE3 MET 24 HE3 MET 24 5.212 27.860 -9.835
193 H VAL 25 H VAL 25 3.617 25.817 -4.039
194 HA VAL 25 HA VAL 25 5.158 23.503 -3.511
195 HB VAL 25 HB VAL 25 2.616 24.410 -2.151
196 HG11 VAL 25 HG11 VAL 25 3.352 23.073 -0.273
197 HG12 VAL 25 HG12 VAL 25 3.224 22.060 -1.712
198 HG13 VAL 25 HG13 VAL 25 4.807 22.596 -1.147
199 HG21 VAL 25 HG21 VAL 25 5.120 25.667 -2.267
200 HG22 VAL 25 HG22 VAL 25 3.780 26.039 -1.183
201 HG23 VAL 25 HG23 VAL 25 5.032 24.904 -0.679
202 H HIS 26 H HIS 26 1.727 23.926 -4.353
203 HA HIS 26 HA HIS 26 1.046 21.202 -4.344
204 HB2 HIS 26 HB2 HIS 26 -0.295 23.591 -4.774
205 HB3 HIS 26 HB3 HIS 26 -0.417 22.765 -6.325
206 HD1 HIS 26 HD1 HIS 26 -2.858 22.132 -6.182
207 HD2 HIS 26 HD2 HIS 26 -0.660 20.861 -2.894
208 HE1 HIS 26 HE1 HIS 26 -4.392 20.610 -4.895
209 H ARG 27 H ARG 27 1.933 23.332 -7.058
210 HA ARG 27 HA ARG 27 1.798 21.431 -9.088
211 HB2 ARG 27 HB2 ARG 27 3.517 23.893 -8.793
212 HB3 ARG 27 HB3 ARG 27 3.474 22.929 -10.263
213 HG2 ARG 27 HG2 ARG 27 1.295 23.538 -10.754
214 HG3 ARG 27 HG3 ARG 27 0.944 24.001 -9.088
215 HD2 ARG 27 HD2 ARG 27 1.140 26.044 -10.182
216 HD3 ARG 27 HD3 ARG 27 2.728 25.822 -9.448
217 HE ARG 27 HE ARG 27 3.625 25.785 -11.543
218 HH11 ARG 27 HH11 ARG 27 0.231 25.045 -11.776
219 HH12 ARG 27 HH12 ARG 27 0.221 25.027 -13.509
220 HH21 ARG 27 HH21 ARG 27 3.624 25.764 -13.824
221 HH22 ARG 27 HH22 ARG 27 2.151 25.435 -14.672
222 H CYS 28 H CYS 28 4.406 22.197 -6.847
223 HA CYS 28 HA CYS 28 6.433 20.677 -8.059
224 HB2 CYS 28 HB2 CYS 28 6.867 22.334 -6.295
225 HB3 CYS 28 HB3 CYS 28 6.036 21.312 -5.127
226 H GLU 29 H GLU 29 4.050 19.825 -5.573
227 HA GLU 29 HA GLU 29 4.981 17.185 -5.167
228 HB2 GLU 29 HB2 GLU 29 2.243 18.378 -4.693
229 HB3 GLU 29 HB3 GLU 29 2.770 16.808 -4.104
230 HG2 GLU 29 HG2 GLU 29 4.707 18.212 -3.032
231 HG3 GLU 29 HG3 GLU 29 3.552 19.532 -3.206
232 H LYS 30 H LYS 30 2.599 18.590 -7.349
233 HA LYS 30 HA LYS 30 1.429 16.239 -8.300
234 HB2 LYS 30 HB2 LYS 30 1.666 19.029 -9.229
235 HB3 LYS 30 HB3 LYS 30 1.360 17.845 -10.493
236 HG2 LYS 30 HG2 LYS 30 -0.421 17.170 -8.477
237 HG3 LYS 30 HG3 LYS 30 -0.432 18.935 -8.509
238 HD2 LYS 30 HD2 LYS 30 -0.648 18.653 -11.070
239 HD3 LYS 30 HD3 LYS 30 -1.133 16.999 -10.688
240 HE2 LYS 30 HE2 LYS 30 -2.556 18.752 -8.969
241 HE3 LYS 30 HE3 LYS 30 -2.691 19.378 -10.612
242 HZ1 LYS 30 HZ1 LYS 30 -3.444 17.178 -11.325
243 HZ2 LYS 30 HZ2 LYS 30 -4.469 17.836 -10.152
244 HZ3 LYS 30 HZ3 LYS 30 -3.368 16.624 -9.729
245 H LYS 31 H LYS 31 4.070 18.129 -9.779
246 HA LYS 31 HA LYS 31 4.658 16.352 -11.842
247 HB2 LYS 31 HB2 LYS 31 6.896 17.443 -11.879
248 HB3 LYS 31 HB3 LYS 31 5.559 18.585 -11.856
249 HG2 LYS 31 HG2 LYS 31 5.894 18.928 -9.459
250 HG3 LYS 31 HG3 LYS 31 7.241 17.788 -9.488
251 HD2 LYS 31 HD2 LYS 31 7.105 20.335 -11.101
252 HD3 LYS 31 HD3 LYS 31 7.961 20.159 -9.567
253 HE2 LYS 31 HE2 LYS 31 9.278 18.305 -10.633
254 HE3 LYS 31 HE3 LYS 31 8.536 18.753 -12.169
255 HZ1 LYS 31 HZ1 LYS 31 10.834 19.748 -11.372
256 HZ2 LYS 31 HZ2 LYS 31 9.816 20.880 -10.634
257 HZ3 LYS 31 HZ3 LYS 31 9.747 20.645 -12.308
258 H CYS 32 H CYS 32 5.862 16.470 -8.522
259 HA CYS 32 HA CYS 32 7.831 14.481 -8.765
260 HB2 CYS 32 HB2 CYS 32 6.240 15.537 -6.441
261 HB3 CYS 32 HB3 CYS 32 7.380 14.212 -6.232
262 H GLU 33 H GLU 33 4.373 14.306 -8.381
263 HA GLU 33 HA GLU 33 4.302 11.548 -7.614
264 HB2 GLU 33 HB2 GLU 33 2.272 13.585 -8.435
265 HB3 GLU 33 HB3 GLU 33 1.822 11.885 -8.441
266 HG2 GLU 33 HG2 GLU 33 3.108 13.050 -6.019
267 HG3 GLU 33 HG3 GLU 33 1.402 13.360 -6.337
268 H GLU 34 H GLU 34 3.447 13.259 -10.626
269 HA GLU 34 HA GLU 34 2.916 11.016 -12.182
270 HB2 GLU 34 HB2 GLU 34 3.449 12.495 -14.131
271 HB3 GLU 34 HB3 GLU 34 2.307 13.186 -12.987
272 HG2 GLU 34 HG2 GLU 34 4.191 14.453 -11.972
273 HG3 GLU 34 HG3 GLU 34 5.224 13.857 -13.270
274 H LYS 35 H LYS 35 5.973 12.753 -11.708
275 HA LYS 35 HA LYS 35 7.513 11.176 -13.465
276 HB2 LYS 35 HB2 LYS 35 7.955 13.326 -11.617
277 HB3 LYS 35 HB3 LYS 35 9.185 12.093 -11.372
278 HG2 LYS 35 HG2 LYS 35 8.577 12.987 -14.146
279 HG3 LYS 35 HG3 LYS 35 9.539 14.030 -13.095
280 HD2 LYS 35 HD2 LYS 35 11.191 12.335 -12.800
281 HD3 LYS 35 HD3 LYS 35 10.174 11.124 -13.584
282 HE2 LYS 35 HE2 LYS 35 11.599 11.660 -15.300
283 HE3 LYS 35 HE3 LYS 35 10.284 12.795 -15.602
284 HZ1 LYS 35 HZ1 LYS 35 12.198 13.888 -13.806
285 HZ2 LYS 35 HZ2 LYS 35 11.645 14.500 -15.282
286 HZ3 LYS 35 HZ3 LYS 35 12.938 13.409 -15.250
287 H PHE 36 H PHE 36 6.167 10.474 -10.436
288 HA PHE 36 HA PHE 36 8.155 8.502 -9.687
289 HB2 PHE 36 HB2 PHE 36 6.308 9.992 -8.267
290 HB3 PHE 36 HB3 PHE 36 5.601 8.380 -8.272
291 HD1 PHE 36 HD2 PHE 36 8.396 10.438 -7.137
292 HD2 PHE 36 HD1 PHE 36 6.690 6.538 -7.148
293 HE1 PHE 36 HE2 PHE 36 9.909 9.774 -5.315
294 HE2 PHE 36 HE1 PHE 36 8.200 5.869 -5.325
295 HZ PHE 36 HZ PHE 36 9.813 7.487 -4.407
296 H GLU 37 H GLU 37 5.177 8.644 -11.426
297 HA GLU 37 HA GLU 37 4.263 6.019 -11.149
298 HB2 GLU 37 HB2 GLU 37 3.996 8.062 -13.337
299 HB3 GLU 37 HB3 GLU 37 3.315 6.452 -13.520
300 HG2 GLU 37 HG2 GLU 37 1.802 6.764 -11.769
301 HG3 GLU 37 HG3 GLU 37 2.680 8.157 -11.142
302 H ARG 38 H ARG 38 6.977 7.282 -12.843
303 HA ARG 38 HA ARG 38 7.790 4.613 -13.603
304 HB2 ARG 38 HB2 ARG 38 6.370 5.555 -15.506
305 HB3 ARG 38 HB3 ARG 38 7.671 6.710 -15.763
306 HG2 ARG 38 HG2 ARG 38 9.227 4.804 -16.084
307 HG3 ARG 38 HG3 ARG 38 7.844 3.714 -15.974
308 HD2 ARG 38 HD2 ARG 38 6.816 4.890 -17.891
309 HD3 ARG 38 HD3 ARG 38 8.265 5.885 -18.024
310 HE ARG 38 HE ARG 38 9.225 3.356 -18.159
311 HH11 ARG 38 HH11 ARG 38 6.736 5.079 -19.879
312 HH12 ARG 38 HH12 ARG 38 6.945 4.180 -21.345
313 HH21 ARG 38 HH21 ARG 38 9.509 2.165 -20.084
314 HH22 ARG 38 HH22 ARG 38 8.522 2.522 -21.460
315 H GLN 39 H GLN 39 9.724 4.606 -12.647
316 HA GLN 39 HA GLN 39 11.620 6.729 -13.364
317 HB2 GLN 39 HB2 GLN 39 10.614 6.092 -10.710
318 HB3 GLN 39 HB3 GLN 39 12.366 5.971 -10.796
319 HG2 GLN 39 HG2 GLN 39 10.951 8.376 -11.868
320 HG3 GLN 39 HG3 GLN 39 11.289 8.218 -10.145
321 HE21 GLN 39 HE21 GLN 39 12.634 10.059 -10.302
322 HE22 GLN 39 HE22 GLN 39 14.230 9.941 -10.953
323 H GLN 40 H GLN 40 13.903 5.975 -12.407
324 HA GLN 40 HA GLN 40 14.358 3.353 -13.605
325 HB2 GLN 40 HB2 GLN 40 16.629 3.978 -13.839
326 HB3 GLN 40 HB3 GLN 40 15.693 5.407 -14.258
327 HG2 GLN 40 HG2 GLN 40 16.053 6.194 -11.894
328 HG3 GLN 40 HG3 GLN 40 17.206 4.872 -11.720
329 HE21 GLN 40 HE21 GLN 40 19.204 5.054 -12.593
330 HE22 GLN 40 HE22 GLN 40 19.779 6.466 -13.405
331 H ARG 41 H ARG 41 14.568 5.018 -10.544
332 HA ARG 41 HA ARG 41 15.021 2.460 -9.217
333 HB2 ARG 41 HB2 ARG 41 17.121 4.243 -9.590
334 HB3 ARG 41 HB3 ARG 41 16.581 4.562 -7.947
335 HG2 ARG 41 HG2 ARG 41 16.958 2.308 -7.297
336 HG3 ARG 41 HG3 ARG 41 17.228 1.810 -8.968
337 HD2 ARG 41 HD2 ARG 41 19.255 3.112 -9.074
338 HD3 ARG 41 HD3 ARG 41 18.956 3.771 -7.466
339 HE ARG 41 HE ARG 41 19.031 1.032 -7.164
340 HH11 ARG 41 HH11 ARG 41 21.190 3.524 -8.281
341 HH12 ARG 41 HH12 ARG 41 22.624 2.684 -7.790
342 HH21 ARG 41 HH21 ARG 41 20.911 -0.084 -6.512
343 HH22 ARG 41 HH22 ARG 41 22.464 0.632 -6.785
Start of MODEL 11
1 H1 SER 1 H SER 1 13.191 -4.800 -0.531
2 HA SER 1 HA SER 1 13.509 -2.804 1.611
3 HB2 SER 1 HB2 SER 1 13.323 -2.407 -1.353
4 HB3 SER 1 HB3 SER 1 12.672 -1.173 -0.274
5 HG SER 1 HG SER 1 14.857 -0.768 -0.791
6 H GLU 2 H GLU 2 11.618 -1.722 2.275
7 HA GLU 2 HA GLU 2 9.108 -2.990 1.393
8 HB2 GLU 2 HB2 GLU 2 10.090 -3.459 3.795
9 HB3 GLU 2 HB3 GLU 2 9.394 -1.886 4.156
10 HG2 GLU 2 HG2 GLU 2 7.786 -3.499 4.765
11 HG3 GLU 2 HG3 GLU 2 7.214 -2.752 3.274
12 H LYS 3 H LYS 3 7.460 -1.679 0.852
13 HA LYS 3 HA LYS 3 6.402 0.232 0.201
14 HB2 LYS 3 HB2 LYS 3 7.468 1.290 2.825
15 HB3 LYS 3 HB3 LYS 3 6.092 1.918 1.927
16 HG2 LYS 3 HG2 LYS 3 6.153 -0.906 2.926
17 HG3 LYS 3 HG3 LYS 3 5.627 0.433 3.949
18 HD2 LYS 3 HD2 LYS 3 3.608 -0.129 3.067
19 HD3 LYS 3 HD3 LYS 3 4.151 0.962 1.791
20 HE2 LYS 3 HE2 LYS 3 3.529 -0.835 0.526
21 HE3 LYS 3 HE3 LYS 3 5.214 -1.254 0.830
22 HZ1 LYS 3 HZ1 LYS 3 4.355 -3.179 1.532
23 HZ2 LYS 3 HZ2 LYS 3 2.802 -2.545 1.748
24 HZ3 LYS 3 HZ3 LYS 3 3.974 -2.340 2.951
25 HA PRO 4 HA PRO 4 10.346 2.149 -1.311
26 HB2 PRO 4 HB2 PRO 4 9.695 1.966 -3.940
27 HB3 PRO 4 HB3 PRO 4 10.481 0.656 -3.052
28 HG2 PRO 4 HG2 PRO 4 7.590 1.006 -3.748
29 HG3 PRO 4 HG3 PRO 4 8.591 -0.456 -3.828
30 HD2 PRO 4 HD2 PRO 4 6.874 0.025 -1.790
31 HD3 PRO 4 HD3 PRO 4 8.393 -0.866 -1.568
32 H GLN 5 H GLN 5 7.025 2.826 -1.395
33 HA GLN 5 HA GLN 5 7.366 5.380 -2.769
34 HB2 GLN 5 HB2 GLN 5 4.973 3.817 -1.839
35 HB3 GLN 5 HB3 GLN 5 4.829 5.512 -2.285
36 HG2 GLN 5 HG2 GLN 5 5.738 4.976 -4.509
37 HG3 GLN 5 HG3 GLN 5 5.788 3.274 -4.053
38 HE21 GLN 5 HE21 GLN 5 4.001 2.073 -4.265
39 HE22 GLN 5 HE22 GLN 5 2.457 2.677 -4.750
40 H GLN 6 H GLN 6 8.447 4.697 -0.039
41 HA GLN 6 HA GLN 6 6.936 6.387 1.755
42 HB2 GLN 6 HB2 GLN 6 9.388 4.692 1.985
43 HB3 GLN 6 HB3 GLN 6 9.096 5.936 3.193
44 HG2 GLN 6 HG2 GLN 6 6.984 3.935 2.497
45 HG3 GLN 6 HG3 GLN 6 8.265 3.552 3.646
46 HE21 GLN 6 HE21 GLN 6 5.787 3.429 4.574
47 HE22 GLN 6 HE22 GLN 6 5.423 4.774 5.595
48 H GLU 7 H GLU 7 9.718 6.642 -0.316
49 HA GLU 7 HA GLU 7 10.837 8.977 0.851
50 HB2 GLU 7 HB2 GLU 7 11.278 7.348 -1.543
51 HB3 GLU 7 HB3 GLU 7 11.595 9.058 -1.795
52 HG2 GLU 7 HG2 GLU 7 13.254 9.104 -0.128
53 HG3 GLU 7 HG3 GLU 7 12.766 7.534 0.508
54 H LEU 8 H LEU 8 8.400 8.406 -1.610
55 HA LEU 8 HA LEU 8 8.206 10.905 -2.772
56 HB2 LEU 8 HB2 LEU 8 6.957 8.914 -3.496
57 HB3 LEU 8 HB3 LEU 8 5.937 9.048 -2.065
58 HG LEU 8 HG LEU 8 5.014 11.137 -2.882
59 HD11 LEU 8 HD11 LEU 8 5.597 12.052 -5.035
60 HD12 LEU 8 HD12 LEU 8 6.752 10.749 -5.314
61 HD13 LEU 8 HD13 LEU 8 7.047 11.930 -4.038
62 HD21 LEU 8 HD21 LEU 8 3.757 10.284 -4.749
63 HD22 LEU 8 HD22 LEU 8 4.018 8.980 -3.589
64 HD23 LEU 8 HD23 LEU 8 4.983 9.056 -5.064
65 H GLU 9 H GLU 9 6.503 9.724 0.125
66 HA GLU 9 HA GLU 9 5.033 11.977 0.734
67 HB2 GLU 9 HB2 GLU 9 6.197 9.759 2.343
68 HB3 GLU 9 HB3 GLU 9 5.586 11.160 3.211
69 HG2 GLU 9 HG2 GLU 9 3.412 10.877 2.109
70 HG3 GLU 9 HG3 GLU 9 4.030 9.443 1.291
71 H GLU 10 H GLU 10 8.437 11.334 1.325
72 HA GLU 10 HA GLU 10 8.878 13.603 2.991
73 HB2 GLU 10 HB2 GLU 10 10.856 12.002 1.357
74 HB3 GLU 10 HB3 GLU 10 11.263 13.139 2.634
75 HG2 GLU 10 HG2 GLU 10 9.460 10.843 3.231
76 HG3 GLU 10 HG3 GLU 10 11.199 10.585 3.115
77 H CYS 11 H CYS 11 9.284 12.960 -0.463
78 HA CYS 11 HA CYS 11 10.539 15.357 -1.173
79 HB2 CYS 11 HB2 CYS 11 10.050 13.192 -2.560
80 HB3 CYS 11 HB3 CYS 11 8.568 14.033 -3.004
81 H GLN 12 H GLN 12 7.080 14.512 -1.228
82 HA GLN 12 HA GLN 12 6.143 17.009 -2.089
83 HB2 GLN 12 HB2 GLN 12 4.711 15.029 -0.311
84 HB3 GLN 12 HB3 GLN 12 3.963 16.290 -1.281
85 HG2 GLN 12 HG2 GLN 12 5.243 15.024 -3.226
86 HG3 GLN 12 HG3 GLN 12 5.089 13.678 -2.099
87 HE21 GLN 12 HE21 GLN 12 3.725 14.930 -4.704
88 HE22 GLN 12 HE22 GLN 12 2.068 14.517 -4.444
89 H ASN 13 H ASN 13 6.538 15.701 1.191
90 HA ASN 13 HA ASN 13 5.494 17.827 2.633
91 HB2 ASN 13 HB2 ASN 13 7.591 15.767 3.232
92 HB3 ASN 13 HB3 ASN 13 7.277 17.057 4.389
93 HD21 ASN 13 HD21 ASN 13 6.799 14.903 5.546
94 HD22 ASN 13 HD22 ASN 13 5.140 14.419 5.545
95 H VAL 14 H VAL 14 8.780 17.361 1.395
96 HA VAL 14 HA VAL 14 9.930 19.650 2.554
97 HB VAL 14 HB VAL 14 10.686 18.232 -0.005
98 HG11 VAL 14 HG11 VAL 14 11.691 20.369 -0.093
99 HG12 VAL 14 HG12 VAL 14 12.113 20.323 1.620
100 HG13 VAL 14 HG13 VAL 14 12.943 19.266 0.477
101 HG21 VAL 14 HG21 VAL 14 10.746 17.270 2.566
102 HG22 VAL 14 HG22 VAL 14 11.736 16.688 1.228
103 HG23 VAL 14 HG23 VAL 14 12.381 17.892 2.343
104 H CYS 15 H CYS 15 8.299 19.148 -0.545
105 HA CYS 15 HA CYS 15 8.813 21.654 -1.679
106 HB2 CYS 15 HB2 CYS 15 6.402 19.864 -2.050
107 HB3 CYS 15 HB3 CYS 15 6.845 21.203 -3.104
108 H ARG 16 H ARG 16 6.180 20.562 0.421
109 HA ARG 16 HA ARG 16 4.780 23.046 0.363
110 HB2 ARG 16 HB2 ARG 16 4.609 20.824 2.406
111 HB3 ARG 16 HB3 ARG 16 3.431 22.107 2.162
112 HG2 ARG 16 HG2 ARG 16 2.531 21.124 0.335
113 HG3 ARG 16 HG3 ARG 16 4.067 20.427 -0.184
114 HD2 ARG 16 HD2 ARG 16 3.827 18.904 1.876
115 HD3 ARG 16 HD3 ARG 16 2.141 19.418 1.881
116 HE ARG 16 HE ARG 16 3.406 17.625 0.015
117 HH11 ARG 16 HH11 ARG 16 0.732 19.783 0.578
118 HH12 ARG 16 HH12 ARG 16 -0.293 19.028 -0.596
119 HH21 ARG 16 HH21 ARG 16 2.065 16.623 -1.534
120 HH22 ARG 16 HH22 ARG 16 0.465 17.230 -1.797
121 H MET 17 H MET 17 7.563 21.957 1.984
122 HA MET 17 HA MET 17 7.293 23.903 4.146
123 HB2 MET 17 HB2 MET 17 9.076 21.570 3.616
124 HB3 MET 17 HB3 MET 17 9.674 22.855 4.658
125 HG2 MET 17 HG2 MET 17 7.237 22.458 5.734
126 HG3 MET 17 HG3 MET 17 7.592 20.838 5.139
127 HE1 MET 17 HE1 MET 17 8.920 19.651 8.393
128 HE2 MET 17 HE2 MET 17 7.338 20.133 7.780
129 HE3 MET 17 HE3 MET 17 8.432 19.197 6.760
130 H LYS 18 H LYS 18 8.029 24.198 1.076
131 HA LYS 18 HA LYS 18 10.587 25.479 1.138
132 HB2 LYS 18 HB2 LYS 18 8.388 25.491 -0.936
133 HB3 LYS 18 HB3 LYS 18 9.971 26.221 -1.171
134 HG2 LYS 18 HG2 LYS 18 9.390 23.303 -0.707
135 HG3 LYS 18 HG3 LYS 18 9.902 24.055 -2.220
136 HD2 LYS 18 HD2 LYS 18 11.930 24.870 -0.779
137 HD3 LYS 18 HD3 LYS 18 11.470 23.525 0.267
138 HE2 LYS 18 HE2 LYS 18 11.967 21.939 -1.331
139 HE3 LYS 18 HE3 LYS 18 11.749 23.067 -2.669
140 HZ1 LYS 18 HZ1 LYS 18 13.980 23.059 -2.668
141 HZ2 LYS 18 HZ2 LYS 18 14.103 22.532 -1.066
142 HZ3 LYS 18 HZ3 LYS 18 13.822 24.167 -1.399
143 H ARG 19 H ARG 19 10.447 27.799 -0.142
144 HA ARG 19 HA ARG 19 8.556 29.502 1.317
145 HB2 ARG 19 HB2 ARG 19 11.555 29.753 1.281
146 HB3 ARG 19 HB3 ARG 19 10.519 31.137 1.603
147 HG2 ARG 19 HG2 ARG 19 9.522 29.893 3.497
148 HG3 ARG 19 HG3 ARG 19 10.681 28.594 3.205
149 HD2 ARG 19 HD2 ARG 19 12.521 30.014 3.718
150 HD3 ARG 19 HD3 ARG 19 11.490 31.445 3.734
151 HE ARG 19 HE ARG 19 11.862 29.548 5.864
152 HH11 ARG 19 HH11 ARG 19 9.750 31.957 4.502
153 HH12 ARG 19 HH12 ARG 19 8.955 32.297 6.003
154 HH21 ARG 19 HH21 ARG 19 10.822 29.987 7.847
155 HH22 ARG 19 HH22 ARG 19 9.566 31.177 7.905
156 H TRP 20 H TRP 20 8.820 28.558 -1.483
157 HA TRP 20 HA TRP 20 9.312 31.112 -2.852
158 HB2 TRP 20 HB2 TRP 20 9.333 29.714 -4.935
159 HB3 TRP 20 HB3 TRP 20 10.613 29.324 -3.790
160 HD1 TRP 20 HD1 TRP 20 7.220 27.939 -2.920
161 HE1 TRP 20 HE1 TRP 20 7.198 25.399 -3.335
162 HE3 TRP 20 HE3 TRP 20 11.657 27.487 -5.418
163 HZ2 TRP 20 HZ2 TRP 20 8.845 23.460 -4.559
164 HZ3 TRP 20 HZ3 TRP 20 12.362 25.255 -6.177
165 HH2 TRP 20 HH2 TRP 20 10.983 23.284 -5.755
166 H SER 21 H SER 21 7.857 30.959 -5.074
167 HA SER 21 HA SER 21 5.305 31.747 -4.321
168 HB2 SER 21 HB2 SER 21 4.719 31.511 -6.733
169 HB3 SER 21 HB3 SER 21 6.234 32.375 -6.473
170 HG SER 21 HG SER 21 7.154 30.914 -7.648
171 H THR 22 H THR 22 3.312 30.770 -4.259
172 HA THR 22 HA THR 22 3.088 28.176 -3.358
173 HB THR 22 HB THR 22 1.267 29.698 -3.016
174 HG1 THR 22 HG1 THR 22 0.062 27.967 -3.055
175 HG21 THR 22 HG21 THR 22 -0.105 30.583 -4.780
176 HG22 THR 22 HG22 THR 22 0.761 29.638 -5.991
177 HG23 THR 22 HG23 THR 22 1.578 30.956 -5.151
178 H GLU 23 H GLU 23 2.785 29.382 -6.671
179 HA GLU 23 HA GLU 23 1.870 27.114 -7.950
180 HB2 GLU 23 HB2 GLU 23 3.679 29.344 -8.812
181 HB3 GLU 23 HB3 GLU 23 3.368 27.997 -9.897
182 HG2 GLU 23 HG2 GLU 23 0.887 28.486 -9.470
183 HG3 GLU 23 HG3 GLU 23 1.449 30.031 -8.834
184 H MET 24 H MET 24 5.190 27.950 -7.051
185 HA MET 24 HA MET 24 6.430 25.733 -8.281
186 HB2 MET 24 HB2 MET 24 7.300 27.429 -5.937
187 HB3 MET 24 HB3 MET 24 8.325 26.239 -6.727
188 HG2 MET 24 HG2 MET 24 7.060 28.397 -8.347
189 HG3 MET 24 HG3 MET 24 8.481 28.754 -7.369
190 HE1 MET 24 HE1 MET 24 6.836 27.071 -10.145
191 HE2 MET 24 HE2 MET 24 7.901 28.060 -11.144
192 HE3 MET 24 HE3 MET 24 8.078 26.305 -11.136
193 H VAL 25 H VAL 25 4.930 26.192 -5.143
194 HA VAL 25 HA VAL 25 5.895 23.892 -3.858
195 HB VAL 25 HB VAL 25 3.221 25.245 -3.469
196 HG11 VAL 25 HG11 VAL 25 3.232 24.237 -1.263
197 HG12 VAL 25 HG12 VAL 25 3.348 22.985 -2.501
198 HG13 VAL 25 HG13 VAL 25 4.784 23.468 -1.598
199 HG21 VAL 25 HG21 VAL 25 4.239 26.624 -1.850
200 HG22 VAL 25 HG22 VAL 25 5.723 25.671 -1.855
201 HG23 VAL 25 HG23 VAL 25 5.313 26.671 -3.248
202 H HIS 26 H HIS 26 2.883 24.403 -5.687
203 HA HIS 26 HA HIS 26 1.952 21.750 -5.453
204 HB2 HIS 26 HB2 HIS 26 1.256 24.130 -7.070
205 HB3 HIS 26 HB3 HIS 26 0.772 22.576 -7.743
206 HD1 HIS 26 HD1 HIS 26 -1.039 21.242 -6.463
207 HD2 HIS 26 HD2 HIS 26 -0.129 24.928 -4.777
208 HE1 HIS 26 HE1 HIS 26 -2.866 21.687 -4.793
209 H ARG 27 H ARG 27 3.594 23.405 -8.149
210 HA ARG 27 HA ARG 27 3.761 21.254 -9.893
211 HB2 ARG 27 HB2 ARG 27 5.592 23.614 -9.479
212 HB3 ARG 27 HB3 ARG 27 5.829 22.448 -10.774
213 HG2 ARG 27 HG2 ARG 27 3.655 22.994 -11.699
214 HG3 ARG 27 HG3 ARG 27 3.354 24.115 -10.369
215 HD2 ARG 27 HD2 ARG 27 4.057 25.379 -12.279
216 HD3 ARG 27 HD3 ARG 27 5.354 25.406 -11.085
217 HE ARG 27 HE ARG 27 5.959 23.303 -12.725
218 HH11 ARG 27 HH11 ARG 27 5.368 26.704 -13.174
219 HH12 ARG 27 HH12 ARG 27 6.410 26.836 -14.552
220 HH21 ARG 27 HH21 ARG 27 7.334 23.464 -14.538
221 HH22 ARG 27 HH22 ARG 27 7.527 24.992 -15.327
222 H CYS 28 H CYS 28 5.922 22.184 -7.254
223 HA CYS 28 HA CYS 28 7.969 20.340 -7.732
224 HB2 CYS 28 HB2 CYS 28 8.201 22.192 -6.148
225 HB3 CYS 28 HB3 CYS 28 6.997 21.457 -5.093
226 H GLU 29 H GLU 29 5.125 20.061 -5.605
227 HA GLU 29 HA GLU 29 5.594 17.503 -4.638
228 HB2 GLU 29 HB2 GLU 29 2.945 18.827 -5.246
229 HB3 GLU 29 HB3 GLU 29 3.144 17.384 -4.262
230 HG2 GLU 29 HG2 GLU 29 4.209 18.556 -2.547
231 HG3 GLU 29 HG3 GLU 29 4.545 19.942 -3.582
232 H LYS 30 H LYS 30 3.631 18.443 -7.459
233 HA LYS 30 HA LYS 30 2.953 15.872 -8.302
234 HB2 LYS 30 HB2 LYS 30 3.247 18.487 -9.758
235 HB3 LYS 30 HB3 LYS 30 2.805 17.016 -10.615
236 HG2 LYS 30 HG2 LYS 30 0.957 16.837 -8.788
237 HG3 LYS 30 HG3 LYS 30 1.261 18.564 -8.588
238 HD2 LYS 30 HD2 LYS 30 0.877 17.513 -11.344
239 HD3 LYS 30 HD3 LYS 30 -0.540 17.657 -10.302
240 HE2 LYS 30 HE2 LYS 30 1.401 19.910 -10.768
241 HE3 LYS 30 HE3 LYS 30 -0.031 19.653 -11.763
242 HZ1 LYS 30 HZ1 LYS 30 -1.400 19.872 -9.783
243 HZ2 LYS 30 HZ2 LYS 30 -0.454 21.255 -10.010
244 HZ3 LYS 30 HZ3 LYS 30 -0.025 20.122 -8.830
245 H LYS 31 H LYS 31 5.672 17.929 -9.320
246 HA LYS 31 HA LYS 31 6.825 16.269 -11.198
247 HB2 LYS 31 HB2 LYS 31 7.901 18.329 -9.324
248 HB3 LYS 31 HB3 LYS 31 9.042 17.334 -10.219
249 HG2 LYS 31 HG2 LYS 31 7.965 18.043 -12.321
250 HG3 LYS 31 HG3 LYS 31 6.902 19.101 -11.389
251 HD2 LYS 31 HD2 LYS 31 9.031 20.152 -10.463
252 HD3 LYS 31 HD3 LYS 31 9.883 19.287 -11.744
253 HE2 LYS 31 HE2 LYS 31 7.509 20.954 -12.437
254 HE3 LYS 31 HE3 LYS 31 9.048 21.748 -12.106
255 HZ1 LYS 31 HZ1 LYS 31 9.256 21.395 -14.326
256 HZ2 LYS 31 HZ2 LYS 31 8.296 20.003 -14.329
257 HZ3 LYS 31 HZ3 LYS 31 9.894 19.926 -13.781
258 H CYS 32 H CYS 32 7.139 16.180 -7.683
259 HA CYS 32 HA CYS 32 9.151 14.201 -7.570
260 HB2 CYS 32 HB2 CYS 32 7.081 15.155 -5.602
261 HB3 CYS 32 HB3 CYS 32 8.186 13.842 -5.211
262 H GLU 33 H GLU 33 5.611 14.002 -7.406
263 HA GLU 33 HA GLU 33 5.499 11.198 -7.049
264 HB2 GLU 33 HB2 GLU 33 3.269 11.505 -6.938
265 HB3 GLU 33 HB3 GLU 33 3.674 13.216 -6.932
266 HG2 GLU 33 HG2 GLU 33 3.471 13.155 -9.441
267 HG3 GLU 33 HG3 GLU 33 2.792 11.538 -9.261
268 H GLU 34 H GLU 34 5.743 13.249 -9.862
269 HA GLU 34 HA GLU 34 5.067 11.213 -11.758
270 HB2 GLU 34 HB2 GLU 34 6.401 13.905 -12.049
271 HB3 GLU 34 HB3 GLU 34 6.049 12.852 -13.412
272 HG2 GLU 34 HG2 GLU 34 3.635 12.974 -12.136
273 HG3 GLU 34 HG3 GLU 34 4.284 14.592 -11.877
274 H LYS 35 H LYS 35 8.117 12.729 -10.733
275 HA LYS 35 HA LYS 35 9.788 11.129 -12.354
276 HB2 LYS 35 HB2 LYS 35 10.104 13.250 -10.501
277 HB3 LYS 35 HB3 LYS 35 11.152 11.941 -9.967
278 HG2 LYS 35 HG2 LYS 35 12.220 11.875 -12.144
279 HG3 LYS 35 HG3 LYS 35 11.136 13.140 -12.730
280 HD2 LYS 35 HD2 LYS 35 12.697 13.705 -10.270
281 HD3 LYS 35 HD3 LYS 35 13.576 13.666 -11.800
282 HE2 LYS 35 HE2 LYS 35 12.136 15.355 -12.728
283 HE3 LYS 35 HE3 LYS 35 11.098 15.310 -11.304
284 HZ1 LYS 35 HZ1 LYS 35 13.271 16.949 -11.721
285 HZ2 LYS 35 HZ2 LYS 35 13.790 15.821 -10.573
286 HZ3 LYS 35 HZ3 LYS 35 12.409 16.752 -10.278
287 H PHE 36 H PHE 36 8.034 10.414 -9.547
288 HA PHE 36 HA PHE 36 9.787 8.437 -8.450
289 HB2 PHE 36 HB2 PHE 36 7.534 9.749 -7.556
290 HB3 PHE 36 HB3 PHE 36 6.941 8.117 -7.843
291 HD1 PHE 36 HD1 PHE 36 7.860 6.224 -6.597
292 HD2 PHE 36 HD2 PHE 36 9.077 10.223 -5.795
293 HE1 PHE 36 HE1 PHE 36 8.816 5.499 -4.449
294 HE2 PHE 36 HE2 PHE 36 10.036 9.504 -3.646
295 HZ PHE 36 HZ PHE 36 9.906 7.140 -2.971
296 H GLU 37 H GLU 37 7.411 8.498 -10.957
297 HA GLU 37 HA GLU 37 6.593 5.848 -11.059
298 HB2 GLU 37 HB2 GLU 37 5.947 6.247 -13.304
299 HB3 GLU 37 HB3 GLU 37 5.761 7.782 -12.467
300 HG2 GLU 37 HG2 GLU 37 8.123 8.301 -13.343
301 HG3 GLU 37 HG3 GLU 37 7.839 6.964 -14.456
302 H ARG 38 H ARG 38 7.261 4.121 -12.506
303 HA ARG 38 HA ARG 38 10.024 3.549 -12.268
304 HB2 ARG 38 HB2 ARG 38 7.928 1.968 -12.474
305 HB3 ARG 38 HB3 ARG 38 8.278 2.071 -14.194
306 HG2 ARG 38 HG2 ARG 38 10.605 1.317 -13.681
307 HG3 ARG 38 HG3 ARG 38 10.077 1.031 -12.022
308 HD2 ARG 38 HD2 ARG 38 8.699 -0.724 -12.623
309 HD3 ARG 38 HD3 ARG 38 8.549 -0.168 -14.289
310 HE ARG 38 HE ARG 38 10.579 -1.886 -13.216
311 HH11 ARG 38 HH11 ARG 38 9.822 0.414 -15.717
312 HH12 ARG 38 HH12 ARG 38 11.008 -0.200 -16.821
313 HH21 ARG 38 HH21 ARG 38 12.144 -2.703 -14.660
314 HH22 ARG 38 HH22 ARG 38 12.328 -1.973 -16.219
315 H GLN 39 H GLN 39 7.985 4.471 -15.018
316 HA GLN 39 HA GLN 39 10.122 4.362 -16.913
317 HB2 GLN 39 HB2 GLN 39 7.276 4.877 -16.943
318 HB3 GLN 39 HB3 GLN 39 8.133 6.044 -17.942
319 HG2 GLN 39 HG2 GLN 39 8.679 3.116 -18.202
320 HG3 GLN 39 HG3 GLN 39 7.296 3.857 -19.006
321 HE21 GLN 39 HE21 GLN 39 9.337 2.618 -20.402
322 HE22 GLN 39 HE22 GLN 39 10.205 3.806 -21.307
323 H GLN 40 H GLN 40 10.328 6.500 -18.345
324 HA GLN 40 HA GLN 40 11.566 8.429 -16.587
325 HB2 GLN 40 HB2 GLN 40 12.572 9.343 -18.526
326 HB3 GLN 40 HB3 GLN 40 12.568 7.600 -18.763
327 HG2 GLN 40 HG2 GLN 40 10.560 7.823 -20.170
328 HG3 GLN 40 HG3 GLN 40 10.649 9.573 -19.979
329 HE21 GLN 40 HE21 GLN 40 12.285 10.716 -21.008
330 HE22 GLN 40 HE22 GLN 40 13.223 10.030 -22.287
331 H ARG 41 H ARG 41 11.059 10.621 -16.442
332 HA ARG 41 HA ARG 41 9.682 12.422 -16.262
333 HB2 ARG 41 HB2 ARG 41 9.220 11.389 -18.988
334 HB3 ARG 41 HB3 ARG 41 7.965 12.451 -18.365
335 HG2 ARG 41 HG2 ARG 41 9.650 14.171 -17.918
336 HG3 ARG 41 HG3 ARG 41 10.897 13.105 -18.569
337 HD2 ARG 41 HD2 ARG 41 9.697 13.078 -20.728
338 HD3 ARG 41 HD3 ARG 41 8.524 14.215 -20.064
339 HE ARG 41 HE ARG 41 11.084 15.301 -19.753
340 HH11 ARG 41 HH11 ARG 41 8.839 14.479 -22.283
341 HH12 ARG 41 HH12 ARG 41 9.411 15.703 -23.367
342 HH21 ARG 41 HH21 ARG 41 11.846 16.917 -21.171
343 HH22 ARG 41 HH22 ARG 41 11.122 17.089 -22.734
Start of MODEL 12
1 H1 SER 1 H SER 1 7.685 -5.052 -0.561
2 HA SER 1 HA SER 1 8.470 -4.487 2.160
3 HB2 SER 1 HB2 SER 1 10.409 -5.950 1.643
4 HB3 SER 1 HB3 SER 1 8.868 -6.717 1.261
5 HG SER 1 HG SER 1 10.685 -6.769 -0.360
6 H GLU 2 H GLU 2 9.481 -3.566 -1.084
7 HA GLU 2 HA GLU 2 11.752 -2.060 -0.128
8 HB2 GLU 2 HB2 GLU 2 10.534 -2.617 -2.799
9 HB3 GLU 2 HB3 GLU 2 11.621 -1.245 -2.633
10 HG2 GLU 2 HG2 GLU 2 12.473 -3.913 -1.619
11 HG3 GLU 2 HG3 GLU 2 12.527 -3.581 -3.350
12 H LYS 3 H LYS 3 8.474 -1.411 -1.224
13 HA LYS 3 HA LYS 3 7.184 0.464 -1.207
14 HB2 LYS 3 HB2 LYS 3 9.037 1.349 1.010
15 HB3 LYS 3 HB3 LYS 3 7.402 1.926 0.714
16 HG2 LYS 3 HG2 LYS 3 6.704 -0.526 1.051
17 HG3 LYS 3 HG3 LYS 3 8.300 -0.723 1.779
18 HD2 LYS 3 HD2 LYS 3 6.848 -0.247 3.572
19 HD3 LYS 3 HD3 LYS 3 7.705 1.262 3.252
20 HE2 LYS 3 HE2 LYS 3 5.820 2.154 2.072
21 HE3 LYS 3 HE3 LYS 3 4.983 0.604 2.139
22 HZ1 LYS 3 HZ1 LYS 3 4.809 0.810 4.518
23 HZ2 LYS 3 HZ2 LYS 3 4.159 2.191 3.791
24 HZ3 LYS 3 HZ3 LYS 3 5.691 2.254 4.505
25 HA PRO 4 HA PRO 4 10.315 2.804 -3.706
26 HB2 PRO 4 HB2 PRO 4 8.820 2.837 -5.972
27 HB3 PRO 4 HB3 PRO 4 9.906 1.505 -5.557
28 HG2 PRO 4 HG2 PRO 4 6.940 1.710 -5.208
29 HG3 PRO 4 HG3 PRO 4 7.907 0.341 -5.787
30 HD2 PRO 4 HD2 PRO 4 6.963 0.489 -3.253
31 HD3 PRO 4 HD3 PRO 4 8.499 -0.306 -3.655
32 H GLN 5 H GLN 5 6.974 3.177 -2.895
33 HA GLN 5 HA GLN 5 6.575 5.762 -4.004
34 HB2 GLN 5 HB2 GLN 5 4.567 5.840 -2.643
35 HB3 GLN 5 HB3 GLN 5 4.719 4.254 -3.388
36 HG2 GLN 5 HG2 GLN 5 4.124 3.670 -1.266
37 HG3 GLN 5 HG3 GLN 5 5.881 3.636 -1.130
38 HE21 GLN 5 HE21 GLN 5 3.455 6.226 -1.067
39 HE22 GLN 5 HE22 GLN 5 3.964 6.899 0.441
40 H GLN 6 H GLN 6 8.368 4.665 -1.356
41 HA GLN 6 HA GLN 6 8.083 6.678 0.534
42 HB2 GLN 6 HB2 GLN 6 10.456 4.996 -0.251
43 HB3 GLN 6 HB3 GLN 6 10.526 6.146 1.078
44 HG2 GLN 6 HG2 GLN 6 8.308 4.179 1.067
45 HG3 GLN 6 HG3 GLN 6 9.929 3.598 1.443
46 HE21 GLN 6 HE21 GLN 6 11.094 5.266 2.984
47 HE22 GLN 6 HE22 GLN 6 10.180 5.671 4.393
48 H GLU 7 H GLU 7 9.637 6.736 -2.564
49 HA GLU 7 HA GLU 7 11.202 9.088 -2.076
50 HB2 GLU 7 HB2 GLU 7 10.788 7.215 -4.256
51 HB3 GLU 7 HB3 GLU 7 10.839 8.875 -4.832
52 HG2 GLU 7 HG2 GLU 7 12.943 7.554 -3.132
53 HG3 GLU 7 HG3 GLU 7 13.037 7.804 -4.875
54 H LEU 8 H LEU 8 7.978 8.411 -3.209
55 HA LEU 8 HA LEU 8 7.493 11.014 -4.296
56 HB2 LEU 8 HB2 LEU 8 6.279 8.949 -4.973
57 HB3 LEU 8 HB3 LEU 8 5.493 8.948 -3.396
58 HG LEU 8 HG LEU 8 4.331 10.990 -3.915
59 HD11 LEU 8 HD11 LEU 8 5.841 10.962 -6.525
60 HD12 LEU 8 HD12 LEU 8 6.081 12.097 -5.198
61 HD13 LEU 8 HD13 LEU 8 4.557 12.088 -6.085
62 HD21 LEU 8 HD21 LEU 8 4.022 9.403 -6.424
63 HD22 LEU 8 HD22 LEU 8 2.789 10.123 -5.389
64 HD23 LEU 8 HD23 LEU 8 3.633 8.663 -4.871
65 H GLU 9 H GLU 9 6.665 9.379 -1.257
66 HA GLU 9 HA GLU 9 5.152 11.436 -0.118
67 HB2 GLU 9 HB2 GLU 9 5.730 10.373 2.062
68 HB3 GLU 9 HB3 GLU 9 5.129 9.241 0.858
69 HG2 GLU 9 HG2 GLU 9 7.426 8.547 0.373
70 HG3 GLU 9 HG3 GLU 9 8.015 9.665 1.602
71 H GLU 10 H GLU 10 8.634 10.837 -0.085
72 HA GLU 10 HA GLU 10 9.249 12.973 1.698
73 HB2 GLU 10 HB2 GLU 10 11.580 12.595 1.007
74 HB3 GLU 10 HB3 GLU 10 10.771 11.093 1.431
75 HG2 GLU 10 HG2 GLU 10 10.433 10.607 -0.940
76 HG3 GLU 10 HG3 GLU 10 11.257 12.107 -1.360
77 H CYS 11 H CYS 11 9.139 12.633 -1.810
78 HA CYS 11 HA CYS 11 10.314 15.079 -2.501
79 HB2 CYS 11 HB2 CYS 11 9.597 13.046 -3.978
80 HB3 CYS 11 HB3 CYS 11 8.067 13.909 -4.108
81 H GLN 12 H GLN 12 6.890 14.243 -2.017
82 HA GLN 12 HA GLN 12 5.913 16.857 -2.496
83 HB2 GLN 12 HB2 GLN 12 4.648 14.619 -0.906
84 HB3 GLN 12 HB3 GLN 12 3.818 16.042 -1.521
85 HG2 GLN 12 HG2 GLN 12 4.871 15.102 -3.805
86 HG3 GLN 12 HG3 GLN 12 4.674 13.594 -2.914
87 HE21 GLN 12 HE21 GLN 12 3.239 15.448 -5.112
88 HE22 GLN 12 HE22 GLN 12 1.577 15.110 -4.787
89 H ASN 13 H ASN 13 6.718 15.095 0.473
90 HA ASN 13 HA ASN 13 5.849 16.946 2.345
91 HB2 ASN 13 HB2 ASN 13 6.541 14.845 3.167
92 HB3 ASN 13 HB3 ASN 13 8.111 14.958 2.377
93 HD21 ASN 13 HD21 ASN 13 9.616 15.064 3.872
94 HD22 ASN 13 HD22 ASN 13 9.577 16.054 5.288
95 H VAL 14 H VAL 14 8.917 16.799 0.591
96 HA VAL 14 HA VAL 14 10.134 18.979 1.940
97 HB VAL 14 HB VAL 14 10.724 17.850 -0.799
98 HG11 VAL 14 HG11 VAL 14 12.263 19.760 0.948
99 HG12 VAL 14 HG12 VAL 14 12.970 18.900 -0.421
100 HG13 VAL 14 HG13 VAL 14 11.651 20.042 -0.681
101 HG21 VAL 14 HG21 VAL 14 11.795 16.175 0.201
102 HG22 VAL 14 HG22 VAL 14 12.649 17.281 1.277
103 HG23 VAL 14 HG23 VAL 14 11.046 16.689 1.713
104 H CYS 15 H CYS 15 8.292 18.706 -1.070
105 HA CYS 15 HA CYS 15 8.632 21.287 -2.042
106 HB2 CYS 15 HB2 CYS 15 6.293 19.390 -2.259
107 HB3 CYS 15 HB3 CYS 15 6.371 20.917 -3.132
108 H ARG 16 H ARG 16 6.262 20.046 0.277
109 HA ARG 16 HA ARG 16 4.793 22.440 0.552
110 HB2 ARG 16 HB2 ARG 16 5.160 20.220 2.572
111 HB3 ARG 16 HB3 ARG 16 3.888 21.434 2.588
112 HG2 ARG 16 HG2 ARG 16 2.707 20.423 0.936
113 HG3 ARG 16 HG3 ARG 16 4.148 19.774 0.150
114 HD2 ARG 16 HD2 ARG 16 4.347 18.259 2.210
115 HD3 ARG 16 HD3 ARG 16 2.681 18.727 2.550
116 HE ARG 16 HE ARG 16 3.116 17.741 -0.123
117 HH11 ARG 16 HH11 ARG 16 2.351 16.909 3.170
118 HH12 ARG 16 HH12 ARG 16 1.564 15.424 2.749
119 HH21 ARG 16 HH21 ARG 16 2.082 15.788 -0.689
120 HH22 ARG 16 HH22 ARG 16 1.412 14.787 0.554
121 H MET 17 H MET 17 7.882 21.516 1.675
122 HA MET 17 HA MET 17 7.902 23.433 3.864
123 HB2 MET 17 HB2 MET 17 9.748 21.305 2.885
124 HB3 MET 17 HB3 MET 17 10.430 22.629 3.819
125 HG2 MET 17 HG2 MET 17 8.375 22.002 5.405
126 HG3 MET 17 HG3 MET 17 8.651 20.431 4.657
127 HE1 MET 17 HE1 MET 17 9.798 23.297 6.595
128 HE2 MET 17 HE2 MET 17 9.849 22.246 8.010
129 HE3 MET 17 HE3 MET 17 11.347 22.883 7.330
130 H LYS 18 H LYS 18 8.064 23.739 0.657
131 HA LYS 18 HA LYS 18 10.389 25.379 0.338
132 HB2 LYS 18 HB2 LYS 18 7.949 25.012 -1.408
133 HB3 LYS 18 HB3 LYS 18 9.373 25.934 -1.872
134 HG2 LYS 18 HG2 LYS 18 9.309 22.991 -1.235
135 HG3 LYS 18 HG3 LYS 18 9.397 23.705 -2.847
136 HD2 LYS 18 HD2 LYS 18 11.453 24.019 -0.658
137 HD3 LYS 18 HD3 LYS 18 11.600 22.971 -2.071
138 HE2 LYS 18 HE2 LYS 18 11.425 25.981 -2.047
139 HE3 LYS 18 HE3 LYS 18 12.831 25.003 -2.462
140 HZ1 LYS 18 HZ1 LYS 18 11.926 25.627 -4.497
141 HZ2 LYS 18 HZ2 LYS 18 10.332 25.368 -3.994
142 HZ3 LYS 18 HZ3 LYS 18 11.353 24.050 -4.282
143 H ARG 19 H ARG 19 10.615 27.418 0.955
144 HA ARG 19 HA ARG 19 8.260 28.948 1.738
145 HB2 ARG 19 HB2 ARG 19 9.843 30.492 2.775
146 HB3 ARG 19 HB3 ARG 19 10.155 28.841 3.293
147 HG2 ARG 19 HG2 ARG 19 11.912 28.799 1.423
148 HG3 ARG 19 HG3 ARG 19 11.746 30.556 1.428
149 HD2 ARG 19 HD2 ARG 19 12.506 28.821 3.775
150 HD3 ARG 19 HD3 ARG 19 13.589 29.864 2.855
151 HE ARG 19 HE ARG 19 11.553 31.481 3.794
152 HH11 ARG 19 HH11 ARG 19 14.050 29.462 5.138
153 HH12 ARG 19 HH12 ARG 19 14.222 30.409 6.579
154 HH21 ARG 19 HH21 ARG 19 11.769 32.736 5.686
155 HH22 ARG 19 HH22 ARG 19 12.923 32.271 6.890
156 H TRP 20 H TRP 20 8.384 28.589 -0.983
157 HA TRP 20 HA TRP 20 9.437 31.104 -2.063
158 HB2 TRP 20 HB2 TRP 20 8.620 28.499 -3.322
159 HB3 TRP 20 HB3 TRP 20 8.770 29.963 -4.289
160 HD1 TRP 20 HD1 TRP 20 11.227 29.239 -1.446
161 HE1 TRP 20 HE1 TRP 20 13.558 28.831 -2.459
162 HE3 TRP 20 HE3 TRP 20 9.960 29.174 -6.399
163 HZ2 TRP 20 HZ2 TRP 20 14.708 28.523 -5.019
164 HZ3 TRP 20 HZ3 TRP 20 11.735 28.817 -8.065
165 HH2 TRP 20 HH2 TRP 20 14.059 28.499 -7.388
166 H SER 21 H SER 21 6.539 29.095 -2.619
167 HA SER 21 HA SER 21 4.688 31.108 -1.958
168 HB2 SER 21 HB2 SER 21 3.880 31.735 -4.187
169 HB3 SER 21 HB3 SER 21 5.569 32.199 -3.987
170 HG SER 21 HG SER 21 5.456 31.209 -5.942
171 H THR 22 H THR 22 2.545 30.399 -2.107
172 HA THR 22 HA THR 22 2.065 27.699 -1.826
173 HB THR 22 HB THR 22 0.434 29.305 -1.069
174 HG1 THR 22 HG1 THR 22 -0.260 27.156 -1.872
175 HG21 THR 22 HG21 THR 22 0.825 30.901 -2.991
176 HG22 THR 22 HG22 THR 22 -0.857 30.695 -2.500
177 HG23 THR 22 HG23 THR 22 -0.254 29.884 -3.945
178 H GLU 23 H GLU 23 1.888 29.674 -4.750
179 HA GLU 23 HA GLU 23 0.740 27.767 -6.451
180 HB2 GLU 23 HB2 GLU 23 2.415 30.206 -6.852
181 HB3 GLU 23 HB3 GLU 23 2.164 29.128 -8.218
182 HG2 GLU 23 HG2 GLU 23 -0.192 29.432 -8.127
183 HG3 GLU 23 HG3 GLU 23 -0.080 30.291 -6.592
184 H MET 24 H MET 24 4.136 28.448 -5.693
185 HA MET 24 HA MET 24 5.242 26.573 -7.489
186 HB2 MET 24 HB2 MET 24 6.269 27.945 -5.022
187 HB3 MET 24 HB3 MET 24 7.233 26.721 -5.837
188 HG2 MET 24 HG2 MET 24 6.120 29.092 -7.294
189 HG3 MET 24 HG3 MET 24 7.657 29.156 -6.434
190 HE1 MET 24 HE1 MET 24 6.613 28.260 -10.391
191 HE2 MET 24 HE2 MET 24 6.562 29.619 -9.268
192 HE3 MET 24 HE3 MET 24 8.027 29.297 -10.198
193 H VAL 25 H VAL 25 4.081 26.321 -4.186
194 HA VAL 25 HA VAL 25 5.161 23.804 -3.554
195 HB VAL 25 HB VAL 25 2.546 24.935 -2.552
196 HG11 VAL 25 HG11 VAL 25 2.843 22.602 -1.989
197 HG12 VAL 25 HG12 VAL 25 4.465 22.927 -1.374
198 HG13 VAL 25 HG13 VAL 25 3.056 23.592 -0.546
199 HG21 VAL 25 HG21 VAL 25 5.214 25.921 -2.238
200 HG22 VAL 25 HG22 VAL 25 3.707 26.566 -1.589
201 HG23 VAL 25 HG23 VAL 25 4.609 25.352 -0.682
202 H HIS 26 H HIS 26 1.884 24.637 -4.691
203 HA HIS 26 HA HIS 26 0.915 22.044 -4.953
204 HB2 HIS 26 HB2 HIS 26 0.207 24.684 -6.120
205 HB3 HIS 26 HB3 HIS 26 -0.453 23.257 -6.913
206 HD1 HIS 26 HD1 HIS 26 -2.617 22.496 -6.003
207 HD2 HIS 26 HD2 HIS 26 -0.421 24.615 -3.185
208 HE1 HIS 26 HE1 HIS 26 -4.098 22.654 -3.977
209 H ARG 27 H ARG 27 2.542 24.080 -7.370
210 HA ARG 27 HA ARG 27 2.425 22.247 -9.492
211 HB2 ARG 27 HB2 ARG 27 2.956 24.530 -9.961
212 HB3 ARG 27 HB3 ARG 27 4.346 24.492 -8.884
213 HG2 ARG 27 HG2 ARG 27 5.443 22.890 -10.400
214 HG3 ARG 27 HG3 ARG 27 4.066 23.021 -11.496
215 HD2 ARG 27 HD2 ARG 27 4.575 25.202 -12.082
216 HD3 ARG 27 HD3 ARG 27 5.516 25.482 -10.618
217 HE ARG 27 HE ARG 27 7.363 24.629 -11.676
218 HH11 ARG 27 HH11 ARG 27 4.512 23.849 -13.516
219 HH12 ARG 27 HH12 ARG 27 5.397 23.248 -14.879
220 HH21 ARG 27 HH21 ARG 27 8.540 23.840 -13.464
221 HH22 ARG 27 HH22 ARG 27 7.688 23.243 -14.848
222 H CYS 28 H CYS 28 4.844 22.744 -6.960
223 HA CYS 28 HA CYS 28 6.784 20.964 -7.924
224 HB2 CYS 28 HB2 CYS 28 7.127 22.632 -6.095
225 HB3 CYS 28 HB3 CYS 28 6.181 21.599 -5.029
226 H GLU 29 H GLU 29 4.221 20.436 -5.503
227 HA GLU 29 HA GLU 29 4.706 17.769 -4.956
228 HB2 GLU 29 HB2 GLU 29 2.075 19.250 -5.060
229 HB3 GLU 29 HB3 GLU 29 2.269 17.640 -4.382
230 HG2 GLU 29 HG2 GLU 29 4.085 18.763 -2.907
231 HG3 GLU 29 HG3 GLU 29 3.261 20.256 -3.351
232 H LYS 30 H LYS 30 2.365 19.052 -7.323
233 HA LYS 30 HA LYS 30 1.595 16.623 -8.432
234 HB2 LYS 30 HB2 LYS 30 1.696 19.420 -9.525
235 HB3 LYS 30 HB3 LYS 30 1.159 18.080 -10.529
236 HG2 LYS 30 HG2 LYS 30 -0.560 17.566 -8.800
237 HG3 LYS 30 HG3 LYS 30 -0.081 19.044 -7.963
238 HD2 LYS 30 HD2 LYS 30 -0.553 20.260 -10.138
239 HD3 LYS 30 HD3 LYS 30 -1.316 18.768 -10.694
240 HE2 LYS 30 HE2 LYS 30 -2.092 20.265 -8.194
241 HE3 LYS 30 HE3 LYS 30 -2.915 20.415 -9.746
242 HZ1 LYS 30 HZ1 LYS 30 -3.075 17.837 -9.516
243 HZ2 LYS 30 HZ2 LYS 30 -4.186 18.837 -8.725
244 HZ3 LYS 30 HZ3 LYS 30 -2.894 18.164 -7.866
245 H LYS 31 H LYS 31 4.344 18.691 -9.197
246 HA LYS 31 HA LYS 31 5.189 17.383 -11.533
247 HB2 LYS 31 HB2 LYS 31 6.466 19.177 -9.527
248 HB3 LYS 31 HB3 LYS 31 7.521 18.292 -10.621
249 HG2 LYS 31 HG2 LYS 31 5.216 19.878 -11.679
250 HG3 LYS 31 HG3 LYS 31 6.743 20.662 -11.267
251 HD2 LYS 31 HD2 LYS 31 6.596 18.268 -13.083
252 HD3 LYS 31 HD3 LYS 31 6.445 19.921 -13.683
253 HE2 LYS 31 HE2 LYS 31 8.786 18.815 -12.133
254 HE3 LYS 31 HE3 LYS 31 8.742 19.081 -13.875
255 HZ1 LYS 31 HZ1 LYS 31 9.458 21.125 -13.480
256 HZ2 LYS 31 HZ2 LYS 31 9.312 20.928 -11.807
257 HZ3 LYS 31 HZ3 LYS 31 7.991 21.471 -12.712
258 H CYS 32 H CYS 32 5.953 16.817 -8.125
259 HA CYS 32 HA CYS 32 7.901 14.818 -8.552
260 HB2 CYS 32 HB2 CYS 32 6.149 15.527 -6.208
261 HB3 CYS 32 HB3 CYS 32 7.256 14.160 -6.147
262 H GLU 33 H GLU 33 4.398 14.705 -8.173
263 HA GLU 33 HA GLU 33 4.260 11.847 -8.100
264 HB2 GLU 33 HB2 GLU 33 2.088 12.163 -7.608
265 HB3 GLU 33 HB3 GLU 33 2.527 13.859 -7.454
266 HG2 GLU 33 HG2 GLU 33 1.952 14.124 -9.882
267 HG3 GLU 33 HG3 GLU 33 1.295 12.490 -9.827
268 H GLU 34 H GLU 34 4.163 14.293 -10.590
269 HA GLU 34 HA GLU 34 3.176 12.563 -12.647
270 HB2 GLU 34 HB2 GLU 34 4.465 15.285 -12.667
271 HB3 GLU 34 HB3 GLU 34 4.046 14.444 -14.152
272 HG2 GLU 34 HG2 GLU 34 1.752 14.324 -12.572
273 HG3 GLU 34 HG3 GLU 34 2.377 15.960 -12.370
274 H LYS 35 H LYS 35 6.378 13.883 -11.841
275 HA LYS 35 HA LYS 35 7.767 12.545 -13.904
276 HB2 LYS 35 HB2 LYS 35 8.398 14.303 -11.740
277 HB3 LYS 35 HB3 LYS 35 9.510 12.942 -11.695
278 HG2 LYS 35 HG2 LYS 35 10.662 14.318 -13.083
279 HG3 LYS 35 HG3 LYS 35 9.686 13.463 -14.281
280 HD2 LYS 35 HD2 LYS 35 8.642 15.971 -13.035
281 HD3 LYS 35 HD3 LYS 35 9.836 16.070 -14.331
282 HE2 LYS 35 HE2 LYS 35 7.249 14.536 -14.528
283 HE3 LYS 35 HE3 LYS 35 7.457 16.194 -15.091
284 HZ1 LYS 35 HZ1 LYS 35 8.652 13.719 -16.156
285 HZ2 LYS 35 HZ2 LYS 35 9.397 15.212 -16.431
286 HZ3 LYS 35 HZ3 LYS 35 7.820 14.940 -16.980
287 H PHE 36 H PHE 36 6.390 11.411 -11.026
288 HA PHE 36 HA PHE 36 8.218 9.275 -10.499
289 HB2 PHE 36 HB2 PHE 36 6.138 10.445 -9.116
290 HB3 PHE 36 HB3 PHE 36 5.475 8.877 -9.561
291 HD1 PHE 36 HD1 PHE 36 6.528 6.813 -8.766
292 HD2 PHE 36 HD2 PHE 36 7.899 10.645 -7.520
293 HE1 PHE 36 HE1 PHE 36 7.748 5.766 -6.903
294 HE2 PHE 36 HE2 PHE 36 9.123 9.604 -5.656
295 HZ PHE 36 HZ PHE 36 9.049 7.162 -5.346
296 H GLU 37 H GLU 37 5.611 9.762 -12.682
297 HA GLU 37 HA GLU 37 4.840 7.059 -13.056
298 HB2 GLU 37 HB2 GLU 37 3.293 8.659 -13.808
299 HB3 GLU 37 HB3 GLU 37 4.519 9.563 -14.685
300 HG2 GLU 37 HG2 GLU 37 3.068 8.401 -16.223
301 HG3 GLU 37 HG3 GLU 37 4.701 7.743 -16.307
302 H ARG 38 H ARG 38 7.522 8.922 -14.138
303 HA ARG 38 HA ARG 38 8.563 6.604 -15.560
304 HB2 ARG 38 HB2 ARG 38 7.815 9.174 -16.840
305 HB3 ARG 38 HB3 ARG 38 9.351 8.470 -17.326
306 HG2 ARG 38 HG2 ARG 38 7.897 6.299 -17.604
307 HG3 ARG 38 HG3 ARG 38 6.586 7.471 -17.751
308 HD2 ARG 38 HD2 ARG 38 7.960 8.633 -19.505
309 HD3 ARG 38 HD3 ARG 38 9.067 7.262 -19.445
310 HE ARG 38 HE ARG 38 6.465 7.342 -20.673
311 HH11 ARG 38 HH11 ARG 38 8.941 5.308 -19.312
312 HH12 ARG 38 HH12 ARG 38 8.443 3.896 -20.183
313 HH21 ARG 38 HH21 ARG 38 5.799 5.489 -21.825
314 HH22 ARG 38 HH22 ARG 38 6.656 4.000 -21.613
315 H GLN 39 H GLN 39 10.304 6.288 -14.303
316 HA GLN 39 HA GLN 39 12.390 8.296 -14.336
317 HB2 GLN 39 HB2 GLN 39 10.697 8.212 -12.137
318 HB3 GLN 39 HB3 GLN 39 12.096 7.277 -11.624
319 HG2 GLN 39 HG2 GLN 39 13.533 9.078 -11.808
320 HG3 GLN 39 HG3 GLN 39 12.461 9.950 -12.903
321 HE21 GLN 39 HE21 GLN 39 12.799 11.759 -11.483
322 HE22 GLN 39 HE22 GLN 39 11.872 11.897 -10.032
323 H GLN 40 H GLN 40 14.446 7.451 -13.450
324 HA GLN 40 HA GLN 40 14.876 4.775 -14.364
325 HB2 GLN 40 HB2 GLN 40 17.162 5.199 -14.104
326 HB3 GLN 40 HB3 GLN 40 16.489 6.774 -14.503
327 HG2 GLN 40 HG2 GLN 40 17.210 5.798 -11.749
328 HG3 GLN 40 HG3 GLN 40 18.125 6.947 -12.724
329 HE21 GLN 40 HE21 GLN 40 16.100 6.729 -10.205
330 HE22 GLN 40 HE22 GLN 40 15.344 8.281 -10.278
331 H ARG 41 H ARG 41 16.374 3.343 -12.915
332 HA ARG 41 HA ARG 41 14.825 2.715 -10.564
333 HB2 ARG 41 HB2 ARG 41 16.876 1.378 -12.207
334 HB3 ARG 41 HB3 ARG 41 16.924 0.983 -10.494
335 HG2 ARG 41 HG2 ARG 41 14.501 0.406 -10.636
336 HG3 ARG 41 HG3 ARG 41 14.611 0.628 -12.383
337 HD2 ARG 41 HD2 ARG 41 16.626 -1.039 -12.142
338 HD3 ARG 41 HD3 ARG 41 15.796 -1.491 -10.653
339 HE ARG 41 HE ARG 41 15.001 -2.123 -13.326
340 HH11 ARG 41 HH11 ARG 41 13.836 -1.525 -10.100
341 HH12 ARG 41 HH12 ARG 41 12.387 -2.452 -10.312
342 HH21 ARG 41 HH21 ARG 41 13.098 -3.345 -13.617
343 HH22 ARG 41 HH22 ARG 41 11.969 -3.488 -12.312
Start of MODEL 13
1 H1 SER 1 H SER 1 5.409 0.991 4.960
2 HA SER 1 HA SER 1 6.911 3.087 6.140
3 HB2 SER 1 HB2 SER 1 5.932 1.561 7.652
4 HB3 SER 1 HB3 SER 1 6.568 0.163 6.785
5 HG SER 1 HG SER 1 7.839 1.883 8.582
6 H GLU 2 H GLU 2 7.919 -0.045 4.766
7 HA GLU 2 HA GLU 2 10.619 1.085 4.423
8 HB2 GLU 2 HB2 GLU 2 10.170 -1.003 5.935
9 HB3 GLU 2 HB3 GLU 2 10.073 -1.861 4.404
10 HG2 GLU 2 HG2 GLU 2 12.296 -2.031 5.330
11 HG3 GLU 2 HG3 GLU 2 12.324 -1.101 3.833
12 H LYS 3 H LYS 3 8.265 1.264 2.617
13 HA LYS 3 HA LYS 3 8.944 -0.426 0.365
14 HB2 LYS 3 HB2 LYS 3 6.769 1.474 1.042
15 HB3 LYS 3 HB3 LYS 3 7.152 1.297 -0.665
16 HG2 LYS 3 HG2 LYS 3 6.617 -0.993 -0.656
17 HG3 LYS 3 HG3 LYS 3 6.610 -1.064 1.107
18 HD2 LYS 3 HD2 LYS 3 4.697 0.694 -0.395
19 HD3 LYS 3 HD3 LYS 3 4.349 -1.014 -0.115
20 HE2 LYS 3 HE2 LYS 3 4.124 -0.735 2.152
21 HE3 LYS 3 HE3 LYS 3 5.184 0.673 2.193
22 HZ1 LYS 3 HZ1 LYS 3 3.250 1.767 2.397
23 HZ2 LYS 3 HZ2 LYS 3 2.329 0.521 1.721
24 HZ3 LYS 3 HZ3 LYS 3 3.165 1.595 0.716
25 HA PRO 4 HA PRO 4 11.577 2.317 -1.823
26 HB2 PRO 4 HB2 PRO 4 10.752 2.004 -4.390
27 HB3 PRO 4 HB3 PRO 4 11.646 0.759 -3.510
28 HG2 PRO 4 HG2 PRO 4 8.703 0.980 -4.012
29 HG3 PRO 4 HG3 PRO 4 9.750 -0.448 -4.106
30 HD2 PRO 4 HD2 PRO 4 8.162 0.056 -1.971
31 HD3 PRO 4 HD3 PRO 4 9.725 -0.772 -1.824
32 H GLN 5 H GLN 5 8.130 2.716 -2.199
33 HA GLN 5 HA GLN 5 8.456 5.384 -3.337
34 HB2 GLN 5 HB2 GLN 5 6.082 5.361 -3.708
35 HB3 GLN 5 HB3 GLN 5 6.739 3.822 -4.250
36 HG2 GLN 5 HG2 GLN 5 6.069 2.914 -1.973
37 HG3 GLN 5 HG3 GLN 5 5.136 4.398 -1.784
38 HE21 GLN 5 HE21 GLN 5 5.388 1.354 -3.392
39 HE22 GLN 5 HE22 GLN 5 3.839 1.389 -4.157
40 H GLN 6 H GLN 6 9.109 4.550 -0.494
41 HA GLN 6 HA GLN 6 7.199 6.041 1.091
42 HB2 GLN 6 HB2 GLN 6 8.457 3.934 1.835
43 HB3 GLN 6 HB3 GLN 6 9.853 4.984 2.043
44 HG2 GLN 6 HG2 GLN 6 7.245 5.630 3.355
45 HG3 GLN 6 HG3 GLN 6 8.359 4.468 4.072
46 HE21 GLN 6 HE21 GLN 6 7.416 7.238 4.816
47 HE22 GLN 6 HE22 GLN 6 8.873 8.109 5.138
48 H GLU 7 H GLU 7 10.261 6.560 -0.445
49 HA GLU 7 HA GLU 7 11.048 8.833 1.082
50 HB2 GLU 7 HB2 GLU 7 12.013 7.388 -1.274
51 HB3 GLU 7 HB3 GLU 7 12.289 9.122 -1.360
52 HG2 GLU 7 HG2 GLU 7 13.474 9.065 0.753
53 HG3 GLU 7 HG3 GLU 7 13.148 7.340 0.908
54 H LEU 8 H LEU 8 9.105 8.342 -1.789
55 HA LEU 8 HA LEU 8 9.032 10.926 -2.809
56 HB2 LEU 8 HB2 LEU 8 8.073 8.913 -3.888
57 HB3 LEU 8 HB3 LEU 8 6.753 8.955 -2.721
58 HG LEU 8 HG LEU 8 5.971 11.059 -3.633
59 HD11 LEU 8 HD11 LEU 8 8.155 11.988 -4.252
60 HD12 LEU 8 HD12 LEU 8 7.001 12.073 -5.582
61 HD13 LEU 8 HD13 LEU 8 8.259 10.838 -5.585
62 HD21 LEU 8 HD21 LEU 8 4.798 9.683 -4.932
63 HD22 LEU 8 HD22 LEU 8 6.173 8.602 -5.158
64 HD23 LEU 8 HD23 LEU 8 5.981 10.014 -6.197
65 H GLU 9 H GLU 9 6.922 9.432 -0.367
66 HA GLU 9 HA GLU 9 5.181 11.525 0.082
67 HB2 GLU 9 HB2 GLU 9 6.266 9.360 1.846
68 HB3 GLU 9 HB3 GLU 9 5.231 10.604 2.533
69 HG2 GLU 9 HG2 GLU 9 3.445 10.014 1.030
70 HG3 GLU 9 HG3 GLU 9 4.482 8.851 0.205
71 H GLU 10 H GLU 10 8.463 11.088 1.258
72 HA GLU 10 HA GLU 10 8.408 13.262 3.098
73 HB2 GLU 10 HB2 GLU 10 10.842 12.067 1.770
74 HB3 GLU 10 HB3 GLU 10 10.782 12.949 3.289
75 HG2 GLU 10 HG2 GLU 10 9.191 11.040 4.035
76 HG3 GLU 10 HG3 GLU 10 9.907 10.162 2.685
77 H CYS 11 H CYS 11 9.453 12.896 -0.258
78 HA CYS 11 HA CYS 11 10.586 15.453 -0.566
79 HB2 CYS 11 HB2 CYS 11 10.654 13.345 -2.118
80 HB3 CYS 11 HB3 CYS 11 9.212 14.056 -2.835
81 H GLN 12 H GLN 12 7.343 14.252 -1.421
82 HA GLN 12 HA GLN 12 6.347 16.745 -2.289
83 HB2 GLN 12 HB2 GLN 12 4.787 14.404 -1.184
84 HB3 GLN 12 HB3 GLN 12 4.147 15.709 -2.174
85 HG2 GLN 12 HG2 GLN 12 6.003 14.879 -3.852
86 HG3 GLN 12 HG3 GLN 12 5.812 13.378 -2.947
87 HE21 GLN 12 HE21 GLN 12 4.699 15.172 -5.507
88 HE22 GLN 12 HE22 GLN 12 3.192 14.370 -5.770
89 H ASN 13 H ASN 13 6.245 15.095 0.838
90 HA ASN 13 HA ASN 13 4.525 16.802 2.195
91 HB2 ASN 13 HB2 ASN 13 5.181 14.758 3.239
92 HB3 ASN 13 HB3 ASN 13 6.887 15.193 3.168
93 HD21 ASN 13 HD21 ASN 13 7.483 15.309 5.225
94 HD22 ASN 13 HD22 ASN 13 6.721 16.281 6.434
95 H VAL 14 H VAL 14 7.998 17.081 1.619
96 HA VAL 14 HA VAL 14 8.363 19.399 3.231
97 HB VAL 14 HB VAL 14 10.059 18.357 0.958
98 HG11 VAL 14 HG11 VAL 14 10.547 20.480 3.030
99 HG12 VAL 14 HG12 VAL 14 11.857 19.677 2.162
100 HG13 VAL 14 HG13 VAL 14 10.656 20.617 1.276
101 HG21 VAL 14 HG21 VAL 14 9.565 17.252 3.475
102 HG22 VAL 14 HG22 VAL 14 10.854 16.817 2.353
103 HG23 VAL 14 HG23 VAL 14 11.145 18.024 3.605
104 H CYS 15 H CYS 15 7.738 18.863 -0.204
105 HA CYS 15 HA CYS 15 8.119 21.465 -1.130
106 HB2 CYS 15 HB2 CYS 15 6.214 19.321 -2.087
107 HB3 CYS 15 HB3 CYS 15 6.543 20.810 -2.968
108 H ARG 16 H ARG 16 5.261 19.938 0.285
109 HA ARG 16 HA ARG 16 3.493 22.100 -0.132
110 HB2 ARG 16 HB2 ARG 16 3.408 19.969 2.012
111 HB3 ARG 16 HB3 ARG 16 2.069 21.007 1.539
112 HG2 ARG 16 HG2 ARG 16 1.645 19.835 -0.353
113 HG3 ARG 16 HG3 ARG 16 3.338 19.400 -0.595
114 HD2 ARG 16 HD2 ARG 16 3.032 17.928 1.496
115 HD3 ARG 16 HD3 ARG 16 1.305 18.136 1.210
116 HE ARG 16 HE ARG 16 3.121 16.502 -0.292
117 HH11 ARG 16 HH11 ARG 16 0.138 18.293 -0.407
118 HH12 ARG 16 HH12 ARG 16 -0.523 17.360 -1.709
119 HH21 ARG 16 HH21 ARG 16 2.261 15.266 -2.006
120 HH22 ARG 16 HH22 ARG 16 0.685 15.638 -2.616
121 H MET 17 H MET 17 6.118 21.719 1.978
122 HA MET 17 HA MET 17 5.097 23.636 3.928
123 HB2 MET 17 HB2 MET 17 7.414 21.761 3.819
124 HB3 MET 17 HB3 MET 17 7.550 23.189 4.836
125 HG2 MET 17 HG2 MET 17 5.141 22.304 5.616
126 HG3 MET 17 HG3 MET 17 5.892 20.777 5.160
127 HE1 MET 17 HE1 MET 17 5.572 23.157 8.371
128 HE2 MET 17 HE2 MET 17 4.705 21.743 7.771
129 HE3 MET 17 HE3 MET 17 5.830 21.581 9.121
130 H LYS 18 H LYS 18 6.251 23.953 0.974
131 HA LYS 18 HA LYS 18 8.387 25.826 1.329
132 HB2 LYS 18 HB2 LYS 18 6.654 25.187 -1.064
133 HB3 LYS 18 HB3 LYS 18 8.034 26.276 -1.108
134 HG2 LYS 18 HG2 LYS 18 8.207 23.385 -0.294
135 HG3 LYS 18 HG3 LYS 18 8.496 23.973 -1.933
136 HD2 LYS 18 HD2 LYS 18 9.979 25.347 0.219
137 HD3 LYS 18 HD3 LYS 18 10.436 23.670 -0.087
138 HE2 LYS 18 HE2 LYS 18 11.830 24.908 -1.494
139 HE3 LYS 18 HE3 LYS 18 10.539 24.346 -2.554
140 HZ1 LYS 18 HZ1 LYS 18 11.361 26.907 -2.327
141 HZ2 LYS 18 HZ2 LYS 18 10.002 26.890 -1.320
142 HZ3 LYS 18 HZ3 LYS 18 9.860 26.422 -2.940
143 H ARG 19 H ARG 19 8.202 27.870 1.939
144 HA ARG 19 HA ARG 19 5.582 29.154 1.881
145 HB2 ARG 19 HB2 ARG 19 8.178 29.769 3.270
146 HB3 ARG 19 HB3 ARG 19 6.893 30.965 3.174
147 HG2 ARG 19 HG2 ARG 19 5.370 29.341 4.267
148 HG3 ARG 19 HG3 ARG 19 6.743 28.250 4.464
149 HD2 ARG 19 HD2 ARG 19 6.920 31.061 5.460
150 HD3 ARG 19 HD3 ARG 19 6.051 29.852 6.404
151 HE ARG 19 HE ARG 19 8.571 28.832 5.704
152 HH11 ARG 19 HH11 ARG 19 7.133 31.263 7.738
153 HH12 ARG 19 HH12 ARG 19 8.406 31.221 8.912
154 HH21 ARG 19 HH21 ARG 19 10.254 28.766 7.242
155 HH22 ARG 19 HH22 ARG 19 10.182 29.801 8.628
156 H TRP 20 H TRP 20 6.669 28.817 -0.639
157 HA TRP 20 HA TRP 20 7.677 31.480 -1.367
158 HB2 TRP 20 HB2 TRP 20 8.049 28.764 -2.470
159 HB3 TRP 20 HB3 TRP 20 7.870 30.047 -3.664
160 HD1 TRP 20 HD1 TRP 20 10.014 31.324 -4.256
161 HE1 TRP 20 HE1 TRP 20 12.366 31.539 -3.232
162 HE3 TRP 20 HE3 TRP 20 9.257 28.709 0.072
163 HZ2 TRP 20 HZ2 TRP 20 13.721 30.710 -0.899
164 HZ3 TRP 20 HZ3 TRP 20 11.133 28.466 1.646
165 HH2 TRP 20 HH2 TRP 20 13.318 29.446 1.168
166 H SER 21 H SER 21 5.575 29.013 -2.864
167 HA SER 21 HA SER 21 3.301 30.654 -3.035
168 HB2 SER 21 HB2 SER 21 3.312 31.138 -5.468
169 HB3 SER 21 HB3 SER 21 4.608 31.975 -4.614
170 HG SER 21 HG SER 21 5.469 31.047 -6.450
171 H THR 22 H THR 22 1.554 29.654 -4.196
172 HA THR 22 HA THR 22 1.359 26.920 -3.895
173 HB THR 22 HB THR 22 -0.641 28.217 -4.141
174 HG1 THR 22 HG1 THR 22 -1.357 26.378 -4.916
175 HG21 THR 22 HG21 THR 22 -1.274 29.366 -6.148
176 HG22 THR 22 HG22 THR 22 0.125 28.731 -7.014
177 HG23 THR 22 HG23 THR 22 0.349 29.898 -5.710
178 H GLU 23 H GLU 23 2.256 28.753 -6.789
179 HA GLU 23 HA GLU 23 2.327 26.664 -8.625
180 HB2 GLU 23 HB2 GLU 23 3.892 29.227 -8.420
181 HB3 GLU 23 HB3 GLU 23 4.140 28.103 -9.749
182 HG2 GLU 23 HG2 GLU 23 1.820 28.324 -10.407
183 HG3 GLU 23 HG3 GLU 23 1.514 29.389 -9.037
184 H MET 24 H MET 24 4.850 27.822 -6.419
185 HA MET 24 HA MET 24 6.876 26.070 -7.306
186 HB2 MET 24 HB2 MET 24 6.430 27.748 -4.882
187 HB3 MET 24 HB3 MET 24 7.682 26.515 -4.816
188 HG2 MET 24 HG2 MET 24 8.278 27.686 -7.169
189 HG3 MET 24 HG3 MET 24 7.596 29.053 -6.292
190 HE1 MET 24 HE1 MET 24 11.729 28.780 -6.304
191 HE2 MET 24 HE2 MET 24 10.897 27.467 -7.137
192 HE3 MET 24 HE3 MET 24 10.389 29.137 -7.394
193 H VAL 25 H VAL 25 4.363 25.770 -4.855
194 HA VAL 25 HA VAL 25 5.292 23.364 -3.695
195 HB VAL 25 HB VAL 25 2.474 24.447 -3.824
196 HG11 VAL 25 HG11 VAL 25 3.706 22.277 -2.136
197 HG12 VAL 25 HG12 VAL 25 2.146 23.028 -1.789
198 HG13 VAL 25 HG13 VAL 25 2.378 22.123 -3.286
199 HG21 VAL 25 HG21 VAL 25 4.334 25.853 -2.752
200 HG22 VAL 25 HG22 VAL 25 2.879 25.548 -1.802
201 HG23 VAL 25 HG23 VAL 25 4.348 24.624 -1.487
202 H HIS 26 H HIS 26 2.798 23.985 -6.160
203 HA HIS 26 HA HIS 26 2.141 21.291 -6.625
204 HB2 HIS 26 HB2 HIS 26 1.001 23.546 -7.399
205 HB3 HIS 26 HB3 HIS 26 1.980 23.291 -8.841
206 HD1 HIS 26 HD1 HIS 26 0.392 22.455 -10.549
207 HD2 HIS 26 HD2 HIS 26 -0.157 20.597 -6.873
208 HE1 HIS 26 HE1 HIS 26 -1.350 20.684 -10.944
209 H ARG 27 H ARG 27 4.414 23.457 -8.286
210 HA ARG 27 HA ARG 27 5.253 21.608 -10.235
211 HB2 ARG 27 HB2 ARG 27 5.657 24.024 -10.418
212 HB3 ARG 27 HB3 ARG 27 6.761 23.946 -9.051
213 HG2 ARG 27 HG2 ARG 27 7.952 22.149 -10.585
214 HG3 ARG 27 HG3 ARG 27 7.144 23.070 -11.855
215 HD2 ARG 27 HD2 ARG 27 8.781 24.567 -11.745
216 HD3 ARG 27 HD3 ARG 27 8.259 24.962 -10.109
217 HE ARG 27 HE ARG 27 10.047 23.782 -9.279
218 HH11 ARG 27 HH11 ARG 27 9.667 23.099 -12.672
219 HH12 ARG 27 HH12 ARG 27 11.175 22.255 -12.804
220 HH21 ARG 27 HH21 ARG 27 12.034 22.673 -9.441
221 HH22 ARG 27 HH22 ARG 27 12.520 22.013 -10.965
222 H CYS 28 H CYS 28 6.613 22.458 -7.066
223 HA CYS 28 HA CYS 28 8.872 20.825 -7.151
224 HB2 CYS 28 HB2 CYS 28 8.488 22.546 -5.428
225 HB3 CYS 28 HB3 CYS 28 7.201 21.561 -4.739
226 H GLU 29 H GLU 29 5.661 20.117 -5.778
227 HA GLU 29 HA GLU 29 6.120 17.537 -4.909
228 HB2 GLU 29 HB2 GLU 29 3.645 18.849 -6.014
229 HB3 GLU 29 HB3 GLU 29 3.631 17.192 -5.427
230 HG2 GLU 29 HG2 GLU 29 4.422 17.994 -3.235
231 HG3 GLU 29 HG3 GLU 29 4.328 19.648 -3.835
232 H LYS 30 H LYS 30 4.720 18.461 -8.059
233 HA LYS 30 HA LYS 30 4.656 15.925 -9.189
234 HB2 LYS 30 HB2 LYS 30 4.762 18.698 -10.284
235 HB3 LYS 30 HB3 LYS 30 5.017 17.357 -11.393
236 HG2 LYS 30 HG2 LYS 30 2.825 16.437 -10.290
237 HG3 LYS 30 HG3 LYS 30 2.574 18.137 -9.886
238 HD2 LYS 30 HD2 LYS 30 3.137 18.527 -12.402
239 HD3 LYS 30 HD3 LYS 30 2.715 16.821 -12.569
240 HE2 LYS 30 HE2 LYS 30 0.870 18.647 -11.097
241 HE3 LYS 30 HE3 LYS 30 0.897 18.690 -12.859
242 HZ1 LYS 30 HZ1 LYS 30 -0.668 17.097 -12.523
243 HZ2 LYS 30 HZ2 LYS 30 0.002 16.560 -11.065
244 HZ3 LYS 30 HZ3 LYS 30 0.703 16.105 -12.536
245 H LYS 31 H LYS 31 7.232 18.369 -9.343
246 HA LYS 31 HA LYS 31 9.012 17.081 -11.008
247 HB2 LYS 31 HB2 LYS 31 9.346 18.979 -8.720
248 HB3 LYS 31 HB3 LYS 31 10.776 18.249 -9.439
249 HG2 LYS 31 HG2 LYS 31 8.706 19.730 -11.039
250 HG3 LYS 31 HG3 LYS 31 10.127 20.504 -10.333
251 HD2 LYS 31 HD2 LYS 31 10.353 18.104 -12.127
252 HD3 LYS 31 HD3 LYS 31 10.283 19.745 -12.771
253 HE2 LYS 31 HE2 LYS 31 12.340 20.306 -11.937
254 HE3 LYS 31 HE3 LYS 31 12.227 19.167 -10.596
255 HZ1 LYS 31 HZ1 LYS 31 13.041 18.685 -13.378
256 HZ2 LYS 31 HZ2 LYS 31 12.349 17.421 -12.493
257 HZ3 LYS 31 HZ3 LYS 31 13.766 18.161 -11.942
258 H CYS 32 H CYS 32 8.528 16.628 -7.534
259 HA CYS 32 HA CYS 32 10.681 14.843 -7.135
260 HB2 CYS 32 HB2 CYS 32 8.140 15.390 -5.613
261 HB3 CYS 32 HB3 CYS 32 9.275 14.147 -5.093
262 H GLU 33 H GLU 33 7.236 14.307 -7.801
263 HA GLU 33 HA GLU 33 7.381 11.477 -7.721
264 HB2 GLU 33 HB2 GLU 33 5.154 11.536 -8.109
265 HB3 GLU 33 HB3 GLU 33 5.341 13.250 -7.766
266 HG2 GLU 33 HG2 GLU 33 4.144 13.316 -9.711
267 HG3 GLU 33 HG3 GLU 33 5.792 13.424 -10.327
268 H GLU 34 H GLU 34 8.178 13.824 -10.118
269 HA GLU 34 HA GLU 34 8.000 12.072 -12.377
270 HB2 GLU 34 HB2 GLU 34 9.405 14.722 -12.008
271 HB3 GLU 34 HB3 GLU 34 9.272 13.876 -13.544
272 HG2 GLU 34 HG2 GLU 34 6.739 14.341 -12.122
273 HG3 GLU 34 HG3 GLU 34 7.566 15.780 -12.717
274 H LYS 35 H LYS 35 10.747 13.462 -10.579
275 HA LYS 35 HA LYS 35 12.724 11.949 -11.908
276 HB2 LYS 35 HB2 LYS 35 12.621 13.913 -9.840
277 HB3 LYS 35 HB3 LYS 35 13.603 12.570 -9.272
278 HG2 LYS 35 HG2 LYS 35 14.102 13.636 -12.002
279 HG3 LYS 35 HG3 LYS 35 14.656 14.568 -10.610
280 HD2 LYS 35 HD2 LYS 35 15.750 12.429 -9.793
281 HD3 LYS 35 HD3 LYS 35 15.416 11.763 -11.394
282 HE2 LYS 35 HE2 LYS 35 16.832 13.310 -12.450
283 HE3 LYS 35 HE3 LYS 35 16.878 14.362 -11.036
284 HZ1 LYS 35 HZ1 LYS 35 18.113 12.623 -9.861
285 HZ2 LYS 35 HZ2 LYS 35 18.935 13.154 -11.240
286 HZ3 LYS 35 HZ3 LYS 35 18.118 11.673 -11.260
287 H PHE 36 H PHE 36 10.424 11.075 -9.579
288 HA PHE 36 HA PHE 36 11.913 9.013 -8.272
289 HB2 PHE 36 HB2 PHE 36 9.516 10.289 -7.789
290 HB3 PHE 36 HB3 PHE 36 9.005 8.681 -8.294
291 HD1 PHE 36 HD2 PHE 36 9.593 6.719 -6.986
292 HD2 PHE 36 HD1 PHE 36 10.716 10.630 -5.737
293 HE1 PHE 36 HE2 PHE 36 10.082 5.856 -4.734
294 HE2 PHE 36 HE1 PHE 36 11.208 9.773 -3.483
295 HZ PHE 36 HZ PHE 36 10.890 7.383 -2.979
296 H GLU 37 H GLU 37 9.344 8.991 -10.740
297 HA GLU 37 HA GLU 37 10.511 6.606 -11.920
298 HB2 GLU 37 HB2 GLU 37 7.610 6.619 -11.079
299 HB3 GLU 37 HB3 GLU 37 8.486 5.299 -11.842
300 HG2 GLU 37 HG2 GLU 37 9.194 6.408 -9.140
301 HG3 GLU 37 HG3 GLU 37 8.085 5.059 -9.381
302 H ARG 38 H ARG 38 9.566 6.084 -14.020
303 HA ARG 38 HA ARG 38 9.019 8.469 -15.514
304 HB2 ARG 38 HB2 ARG 38 10.341 6.332 -16.222
305 HB3 ARG 38 HB3 ARG 38 8.753 5.706 -16.647
306 HG2 ARG 38 HG2 ARG 38 8.407 7.495 -18.213
307 HG3 ARG 38 HG3 ARG 38 9.910 8.272 -17.711
308 HD2 ARG 38 HD2 ARG 38 9.916 5.469 -18.762
309 HD3 ARG 38 HD3 ARG 38 9.884 6.841 -19.869
310 HE ARG 38 HE ARG 38 11.945 7.341 -18.114
311 HH11 ARG 38 HH11 ARG 38 11.115 4.846 -20.395
312 HH12 ARG 38 HH12 ARG 38 12.762 4.443 -20.753
313 HH21 ARG 38 HH21 ARG 38 14.117 6.821 -18.576
314 HH22 ARG 38 HH22 ARG 38 14.469 5.567 -19.717
315 H GLN 39 H GLN 39 7.148 9.060 -16.568
316 HA GLN 39 HA GLN 39 4.703 7.891 -15.494
317 HB2 GLN 39 HB2 GLN 39 5.487 10.498 -16.046
318 HB3 GLN 39 HB3 GLN 39 4.352 10.118 -17.335
319 HG2 GLN 39 HG2 GLN 39 3.766 9.745 -14.408
320 HG3 GLN 39 HG3 GLN 39 3.331 11.180 -15.335
321 HE21 GLN 39 HE21 GLN 39 1.522 11.163 -16.526
322 HE22 GLN 39 HE22 GLN 39 0.482 9.797 -16.719
323 H GLN 40 H GLN 40 5.672 9.089 -18.714
324 HA GLN 40 HA GLN 40 3.740 7.439 -20.031
325 HB2 GLN 40 HB2 GLN 40 4.421 8.465 -22.020
326 HB3 GLN 40 HB3 GLN 40 4.671 9.710 -20.803
327 HG2 GLN 40 HG2 GLN 40 6.791 7.925 -21.976
328 HG3 GLN 40 HG3 GLN 40 6.525 9.625 -22.362
329 HE21 GLN 40 HE21 GLN 40 6.127 10.740 -19.932
330 HE22 GLN 40 HE22 GLN 40 7.546 10.585 -18.959
331 H ARG 41 H ARG 41 4.076 5.634 -21.319
332 HA ARG 41 HA ARG 41 4.986 3.636 -21.912
333 HB2 ARG 41 HB2 ARG 41 7.236 5.546 -22.068
334 HB3 ARG 41 HB3 ARG 41 7.686 3.847 -21.987
335 HG2 ARG 41 HG2 ARG 41 5.599 4.699 -23.934
336 HG3 ARG 41 HG3 ARG 41 7.298 5.023 -24.287
337 HD2 ARG 41 HD2 ARG 41 7.070 2.956 -25.243
338 HD3 ARG 41 HD3 ARG 41 7.579 2.496 -23.619
339 HE ARG 41 HE ARG 41 4.821 2.593 -23.565
340 HH11 ARG 41 HH11 ARG 41 7.277 0.824 -25.284
341 HH12 ARG 41 HH12 ARG 41 6.299 -0.592 -25.487
342 HH21 ARG 41 HH21 ARG 41 3.524 0.735 -23.826
343 HH22 ARG 41 HH22 ARG 41 4.164 -0.641 -24.658
Start of MODEL 14
1 H1 SER 1 H SER 1 4.921 0.432 8.154
2 HA SER 1 HA SER 1 5.587 -1.789 6.514
3 HB2 SER 1 HB2 SER 1 3.935 -0.979 5.006
4 HB3 SER 1 HB3 SER 1 3.349 -0.571 6.618
5 HG SER 1 HG SER 1 3.700 1.509 6.243
6 H GLU 2 H GLU 2 6.330 -1.651 4.270
7 HA GLU 2 HA GLU 2 8.083 0.632 3.713
8 HB2 GLU 2 HB2 GLU 2 9.643 -1.349 2.775
9 HB3 GLU 2 HB3 GLU 2 9.810 -0.672 4.388
10 HG2 GLU 2 HG2 GLU 2 9.856 -3.118 4.391
11 HG3 GLU 2 HG3 GLU 2 8.508 -2.472 5.326
12 H LYS 3 H LYS 3 8.122 1.245 1.622
13 HA LYS 3 HA LYS 3 7.370 -0.558 -0.502
14 HB2 LYS 3 HB2 LYS 3 5.507 1.482 0.570
15 HB3 LYS 3 HB3 LYS 3 5.639 1.395 -1.181
16 HG2 LYS 3 HG2 LYS 3 5.309 -1.178 -0.750
17 HG3 LYS 3 HG3 LYS 3 4.569 -0.600 0.745
18 HD2 LYS 3 HD2 LYS 3 3.104 0.875 -0.620
19 HD3 LYS 3 HD3 LYS 3 3.782 0.137 -2.073
20 HE2 LYS 3 HE2 LYS 3 1.626 -0.862 -1.430
21 HE3 LYS 3 HE3 LYS 3 2.945 -2.032 -1.403
22 HZ1 LYS 3 HZ1 LYS 3 1.256 -1.879 0.561
23 HZ2 LYS 3 HZ2 LYS 3 2.263 -0.623 1.077
24 HZ3 LYS 3 HZ3 LYS 3 2.894 -2.178 0.861
25 HA PRO 4 HA PRO 4 9.938 2.051 -2.919
26 HB2 PRO 4 HB2 PRO 4 8.740 1.967 -5.353
27 HB3 PRO 4 HB3 PRO 4 9.617 0.595 -4.666
28 HG2 PRO 4 HG2 PRO 4 6.670 1.118 -4.732
29 HG3 PRO 4 HG3 PRO 4 7.545 -0.393 -5.039
30 HD2 PRO 4 HD2 PRO 4 6.325 0.132 -2.679
31 HD3 PRO 4 HD3 PRO 4 7.803 -0.846 -2.793
32 H GLN 5 H GLN 5 6.721 2.911 -2.288
33 HA GLN 5 HA GLN 5 6.916 5.476 -3.672
34 HB2 GLN 5 HB2 GLN 5 4.564 5.782 -2.913
35 HB3 GLN 5 HB3 GLN 5 4.801 4.353 -3.910
36 HG2 GLN 5 HG2 GLN 5 4.457 2.905 -2.164
37 HG3 GLN 5 HG3 GLN 5 4.930 4.090 -0.947
38 HE21 GLN 5 HE21 GLN 5 3.414 6.135 -1.115
39 HE22 GLN 5 HE22 GLN 5 1.728 5.761 -1.072
40 H GLN 6 H GLN 6 8.522 4.697 -1.262
41 HA GLN 6 HA GLN 6 7.508 6.402 0.844
42 HB2 GLN 6 HB2 GLN 6 9.344 5.643 2.147
43 HB3 GLN 6 HB3 GLN 6 8.766 4.248 1.245
44 HG2 GLN 6 HG2 GLN 6 10.586 4.825 -0.454
45 HG3 GLN 6 HG3 GLN 6 11.249 5.862 0.808
46 HE21 GLN 6 HE21 GLN 6 11.691 4.816 2.897
47 HE22 GLN 6 HE22 GLN 6 12.260 3.185 2.892
48 H GLU 7 H GLU 7 9.911 6.529 -1.697
49 HA GLU 7 HA GLU 7 11.355 8.769 -0.797
50 HB2 GLU 7 HB2 GLU 7 11.130 7.216 -3.258
51 HB3 GLU 7 HB3 GLU 7 11.439 8.920 -3.559
52 HG2 GLU 7 HG2 GLU 7 13.262 8.505 -1.663
53 HG3 GLU 7 HG3 GLU 7 13.159 6.868 -2.308
54 H LEU 8 H LEU 8 8.387 8.464 -2.654
55 HA LEU 8 HA LEU 8 8.104 11.043 -3.615
56 HB2 LEU 8 HB2 LEU 8 6.623 9.098 -4.104
57 HB3 LEU 8 HB3 LEU 8 5.886 9.322 -2.519
58 HG LEU 8 HG LEU 8 5.182 11.608 -3.265
59 HD11 LEU 8 HD11 LEU 8 5.625 10.743 -6.077
60 HD12 LEU 8 HD12 LEU 8 6.966 11.466 -5.189
61 HD13 LEU 8 HD13 LEU 8 5.464 12.365 -5.404
62 HD21 LEU 8 HD21 LEU 8 3.235 10.636 -3.697
63 HD22 LEU 8 HD22 LEU 8 4.070 9.087 -3.815
64 HD23 LEU 8 HD23 LEU 8 3.820 10.067 -5.261
65 H GLU 9 H GLU 9 7.062 9.743 -0.472
66 HA GLU 9 HA GLU 9 5.845 11.983 0.578
67 HB2 GLU 9 HB2 GLU 9 7.542 9.922 1.993
68 HB3 GLU 9 HB3 GLU 9 6.518 11.092 2.813
69 HG2 GLU 9 HG2 GLU 9 4.585 10.130 1.512
70 HG3 GLU 9 HG3 GLU 9 5.675 8.834 1.023
71 H GLU 10 H GLU 10 9.267 11.268 0.278
72 HA GLU 10 HA GLU 10 10.156 13.434 1.910
73 HB2 GLU 10 HB2 GLU 10 11.663 11.917 -0.228
74 HB3 GLU 10 HB3 GLU 10 12.374 12.940 1.013
75 HG2 GLU 10 HG2 GLU 10 10.814 10.419 1.532
76 HG3 GLU 10 HG3 GLU 10 12.572 10.545 1.516
77 H CYS 11 H CYS 11 9.672 12.969 -1.558
78 HA CYS 11 HA CYS 11 10.798 15.395 -2.422
79 HB2 CYS 11 HB2 CYS 11 9.998 13.297 -3.768
80 HB3 CYS 11 HB3 CYS 11 8.461 14.154 -3.832
81 H GLN 12 H GLN 12 7.391 14.547 -1.809
82 HA GLN 12 HA GLN 12 6.349 17.110 -2.282
83 HB2 GLN 12 HB2 GLN 12 5.240 14.986 -0.439
84 HB3 GLN 12 HB3 GLN 12 4.345 16.326 -1.144
85 HG2 GLN 12 HG2 GLN 12 5.250 15.211 -3.388
86 HG3 GLN 12 HG3 GLN 12 5.226 13.781 -2.357
87 HE21 GLN 12 HE21 GLN 12 3.557 14.866 -4.684
88 HE22 GLN 12 HE22 GLN 12 1.930 14.644 -4.148
89 H ASN 13 H ASN 13 7.446 15.547 0.702
90 HA ASN 13 HA ASN 13 6.682 17.483 2.535
91 HB2 ASN 13 HB2 ASN 13 7.510 15.417 3.368
92 HB3 ASN 13 HB3 ASN 13 9.033 15.594 2.500
93 HD21 ASN 13 HD21 ASN 13 10.417 15.529 4.177
94 HD22 ASN 13 HD22 ASN 13 10.452 16.689 5.458
95 H VAL 14 H VAL 14 9.570 17.320 0.507
96 HA VAL 14 HA VAL 14 10.859 19.585 1.629
97 HB VAL 14 HB VAL 14 11.199 18.355 -1.110
98 HG11 VAL 14 HG11 VAL 14 12.467 20.642 0.229
99 HG12 VAL 14 HG12 VAL 14 13.585 19.485 -0.495
100 HG13 VAL 14 HG13 VAL 14 12.345 20.253 -1.487
101 HG21 VAL 14 HG21 VAL 14 11.722 17.202 1.313
102 HG22 VAL 14 HG22 VAL 14 12.524 16.791 -0.202
103 HG23 VAL 14 HG23 VAL 14 13.272 17.938 0.909
104 H CYS 15 H CYS 15 8.693 19.137 -1.129
105 HA CYS 15 HA CYS 15 8.877 21.686 -2.244
106 HB2 CYS 15 HB2 CYS 15 6.468 19.857 -2.136
107 HB3 CYS 15 HB3 CYS 15 6.664 21.223 -3.230
108 H ARG 16 H ARG 16 6.734 20.466 0.305
109 HA ARG 16 HA ARG 16 5.284 22.874 0.641
110 HB2 ARG 16 HB2 ARG 16 5.749 20.663 2.650
111 HB3 ARG 16 HB3 ARG 16 4.485 21.883 2.724
112 HG2 ARG 16 HG2 ARG 16 3.207 20.858 1.159
113 HG3 ARG 16 HG3 ARG 16 4.599 20.214 0.285
114 HD2 ARG 16 HD2 ARG 16 4.928 18.703 2.336
115 HD3 ARG 16 HD3 ARG 16 3.280 19.160 2.765
116 HE ARG 16 HE ARG 16 3.573 18.175 0.074
117 HH11 ARG 16 HH11 ARG 16 3.009 17.335 3.405
118 HH12 ARG 16 HH12 ARG 16 2.215 15.841 3.029
119 HH21 ARG 16 HH21 ARG 16 2.529 16.212 -0.433
120 HH22 ARG 16 HH22 ARG 16 1.943 15.203 0.846
121 H MET 17 H MET 17 8.452 22.023 1.455
122 HA MET 17 HA MET 17 8.611 23.934 3.662
123 HB2 MET 17 HB2 MET 17 10.248 21.665 2.717
124 HB3 MET 17 HB3 MET 17 11.152 23.032 3.356
125 HG2 MET 17 HG2 MET 17 8.954 22.403 5.088
126 HG3 MET 17 HG3 MET 17 9.928 20.966 4.785
127 HE1 MET 17 HE1 MET 17 11.842 20.383 5.593
128 HE2 MET 17 HE2 MET 17 13.131 21.529 5.225
129 HE3 MET 17 HE3 MET 17 12.751 21.138 6.903
130 H LYS 18 H LYS 18 8.534 24.237 0.485
131 HA LYS 18 HA LYS 18 10.899 25.756 -0.058
132 HB2 LYS 18 HB2 LYS 18 8.285 25.508 -1.554
133 HB3 LYS 18 HB3 LYS 18 9.685 26.386 -2.155
134 HG2 LYS 18 HG2 LYS 18 9.602 23.443 -1.521
135 HG3 LYS 18 HG3 LYS 18 9.519 24.157 -3.133
136 HD2 LYS 18 HD2 LYS 18 11.753 25.256 -2.580
137 HD3 LYS 18 HD3 LYS 18 11.829 24.151 -1.206
138 HE2 LYS 18 HE2 LYS 18 11.533 22.261 -2.813
139 HE3 LYS 18 HE3 LYS 18 11.670 23.426 -4.129
140 HZ1 LYS 18 HZ1 LYS 18 13.808 23.645 -2.238
141 HZ2 LYS 18 HZ2 LYS 18 13.870 23.481 -3.920
142 HZ3 LYS 18 HZ3 LYS 18 13.734 22.108 -2.942
143 H ARG 19 H ARG 19 7.649 26.478 1.022
144 HA ARG 19 HA ARG 19 6.619 28.410 1.655
145 HB2 ARG 19 HB2 ARG 19 9.479 28.886 2.453
146 HB3 ARG 19 HB3 ARG 19 8.238 30.094 2.759
147 HG2 ARG 19 HG2 ARG 19 6.981 28.074 3.858
148 HG3 ARG 19 HG3 ARG 19 8.610 27.404 3.974
149 HD2 ARG 19 HD2 ARG 19 8.113 28.576 6.009
150 HD3 ARG 19 HD3 ARG 19 9.327 29.488 5.113
151 HE ARG 19 HE ARG 19 6.784 30.461 4.441
152 HH11 ARG 19 HH11 ARG 19 8.981 30.363 7.140
153 HH12 ARG 19 HH12 ARG 19 8.407 31.844 7.829
154 HH21 ARG 19 HH21 ARG 19 6.019 32.413 5.339
155 HH22 ARG 19 HH22 ARG 19 6.721 33.010 6.805
156 H TRP 20 H TRP 20 7.405 28.232 -1.113
157 HA TRP 20 HA TRP 20 8.210 30.949 -1.812
158 HB2 TRP 20 HB2 TRP 20 7.851 28.412 -3.395
159 HB3 TRP 20 HB3 TRP 20 8.031 29.974 -4.190
160 HD1 TRP 20 HD1 TRP 20 10.256 30.983 -1.930
161 HE1 TRP 20 HE1 TRP 20 12.665 30.125 -2.221
162 HE3 TRP 20 HE3 TRP 20 9.321 26.930 -4.902
163 HZ2 TRP 20 HZ2 TRP 20 13.993 28.010 -3.536
164 HZ3 TRP 20 HZ3 TRP 20 11.216 25.541 -5.634
165 HH2 TRP 20 HH2 TRP 20 13.503 26.072 -4.964
166 H SER 21 H SER 21 5.641 28.713 -2.886
167 HA SER 21 HA SER 21 3.515 30.477 -2.394
168 HB2 SER 21 HB2 SER 21 2.962 31.111 -4.743
169 HB3 SER 21 HB3 SER 21 4.445 31.861 -4.154
170 HG SER 21 HG SER 21 4.489 30.857 -6.324
171 H THR 22 H THR 22 1.487 29.613 -3.004
172 HA THR 22 HA THR 22 1.236 26.869 -2.916
173 HB THR 22 HB THR 22 -0.646 28.330 -2.433
174 HG1 THR 22 HG1 THR 22 -1.205 26.236 -3.065
175 HG21 THR 22 HG21 THR 22 -1.825 29.565 -4.097
176 HG22 THR 22 HG22 THR 22 -0.872 28.846 -5.395
177 HG23 THR 22 HG23 THR 22 -0.118 29.973 -4.268
178 H GLU 23 H GLU 23 1.546 28.966 -5.721
179 HA GLU 23 HA GLU 23 0.882 27.055 -7.689
180 HB2 GLU 23 HB2 GLU 23 1.020 29.540 -8.029
181 HB3 GLU 23 HB3 GLU 23 2.771 29.391 -8.000
182 HG2 GLU 23 HG2 GLU 23 2.253 29.426 -10.259
183 HG3 GLU 23 HG3 GLU 23 2.475 27.713 -9.906
184 H MET 24 H MET 24 3.983 28.025 -6.269
185 HA MET 24 HA MET 24 5.544 26.268 -7.879
186 HB2 MET 24 HB2 MET 24 6.095 27.795 -5.343
187 HB3 MET 24 HB3 MET 24 7.292 26.722 -6.056
188 HG2 MET 24 HG2 MET 24 6.020 29.018 -7.521
189 HG3 MET 24 HG3 MET 24 7.546 29.129 -6.646
190 HE1 MET 24 HE1 MET 24 8.658 30.044 -8.378
191 HE2 MET 24 HE2 MET 24 9.929 28.823 -8.449
192 HE3 MET 24 HE3 MET 24 9.115 29.336 -9.928
193 H VAL 25 H VAL 25 4.309 26.101 -4.555
194 HA VAL 25 HA VAL 25 5.465 23.669 -3.822
195 HB VAL 25 HB VAL 25 2.754 24.644 -2.923
196 HG11 VAL 25 HG11 VAL 25 3.029 23.311 -1.033
197 HG12 VAL 25 HG12 VAL 25 3.635 22.295 -2.343
198 HG13 VAL 25 HG13 VAL 25 4.766 23.142 -1.286
199 HG21 VAL 25 HG21 VAL 25 5.338 25.863 -2.609
200 HG22 VAL 25 HG22 VAL 25 3.757 26.440 -2.079
201 HG23 VAL 25 HG23 VAL 25 4.698 25.369 -1.041
202 H HIS 26 H HIS 26 2.207 24.279 -5.135
203 HA HIS 26 HA HIS 26 1.381 21.619 -5.289
204 HB2 HIS 26 HB2 HIS 26 0.610 24.064 -6.873
205 HB3 HIS 26 HB3 HIS 26 -0.150 22.499 -7.145
206 HD1 HIS 26 HD1 HIS 26 -2.315 23.982 -6.375
207 HD2 HIS 26 HD2 HIS 26 0.447 22.988 -3.435
208 HE1 HIS 26 HE1 HIS 26 -3.517 24.297 -4.189
209 H ARG 27 H ARG 27 2.818 23.655 -7.838
210 HA ARG 27 HA ARG 27 2.908 21.756 -9.858
211 HB2 ARG 27 HB2 ARG 27 3.394 24.141 -10.203
212 HB3 ARG 27 HB3 ARG 27 4.897 23.965 -9.306
213 HG2 ARG 27 HG2 ARG 27 5.414 22.142 -11.105
214 HG3 ARG 27 HG3 ARG 27 4.199 23.016 -12.040
215 HD2 ARG 27 HD2 ARG 27 5.511 24.853 -12.283
216 HD3 ARG 27 HD3 ARG 27 6.284 24.641 -10.713
217 HE ARG 27 HE ARG 27 7.176 23.602 -13.243
218 HH11 ARG 27 HH11 ARG 27 7.290 23.222 -9.784
219 HH12 ARG 27 HH12 ARG 27 8.801 22.373 -9.797
220 HH21 ARG 27 HH21 ARG 27 9.165 22.486 -13.272
221 HH22 ARG 27 HH22 ARG 27 9.866 21.956 -11.781
222 H CYS 28 H CYS 28 5.177 22.349 -7.222
223 HA CYS 28 HA CYS 28 7.238 20.650 -8.075
224 HB2 CYS 28 HB2 CYS 28 7.437 22.313 -6.236
225 HB3 CYS 28 HB3 CYS 28 6.434 21.277 -5.227
226 H GLU 29 H GLU 29 4.745 19.990 -5.605
227 HA GLU 29 HA GLU 29 5.283 17.317 -5.198
228 HB2 GLU 29 HB2 GLU 29 2.665 18.812 -5.103
229 HB3 GLU 29 HB3 GLU 29 2.821 17.135 -4.599
230 HG2 GLU 29 HG2 GLU 29 4.689 18.010 -3.053
231 HG3 GLU 29 HG3 GLU 29 3.972 19.593 -3.349
232 H LYS 30 H LYS 30 3.592 18.840 -7.842
233 HA LYS 30 HA LYS 30 2.351 16.532 -8.904
234 HB2 LYS 30 HB2 LYS 30 2.898 19.287 -9.805
235 HB3 LYS 30 HB3 LYS 30 2.742 18.101 -11.094
236 HG2 LYS 30 HG2 LYS 30 0.627 17.640 -9.283
237 HG3 LYS 30 HG3 LYS 30 0.701 19.379 -9.578
238 HD2 LYS 30 HD2 LYS 30 0.861 18.747 -12.062
239 HD3 LYS 30 HD3 LYS 30 0.313 17.148 -11.552
240 HE2 LYS 30 HE2 LYS 30 -1.130 19.757 -11.086
241 HE3 LYS 30 HE3 LYS 30 -1.559 18.535 -12.282
242 HZ1 LYS 30 HZ1 LYS 30 -2.314 18.673 -9.584
243 HZ2 LYS 30 HZ2 LYS 30 -1.385 17.276 -9.799
244 HZ3 LYS 30 HZ3 LYS 30 -2.765 17.527 -10.744
245 H LYS 31 H LYS 31 5.198 18.282 -10.160
246 HA LYS 31 HA LYS 31 6.027 16.406 -12.002
247 HB2 LYS 31 HB2 LYS 31 8.006 17.591 -12.154
248 HB3 LYS 31 HB3 LYS 31 6.940 18.788 -11.430
249 HG2 LYS 31 HG2 LYS 31 8.724 19.028 -10.057
250 HG3 LYS 31 HG3 LYS 31 7.894 17.732 -9.192
251 HD2 LYS 31 HD2 LYS 31 9.430 16.157 -9.801
252 HD3 LYS 31 HD3 LYS 31 9.808 16.959 -11.328
253 HE2 LYS 31 HE2 LYS 31 11.028 18.698 -10.088
254 HE3 LYS 31 HE3 LYS 31 10.676 17.855 -8.580
255 HZ1 LYS 31 HZ1 LYS 31 12.497 16.667 -8.908
256 HZ2 LYS 31 HZ2 LYS 31 12.763 17.386 -10.415
257 HZ3 LYS 31 HZ3 LYS 31 11.808 15.994 -10.298
258 H CYS 32 H CYS 32 6.471 16.429 -8.535
259 HA CYS 32 HA CYS 32 8.468 14.429 -8.394
260 HB2 CYS 32 HB2 CYS 32 6.452 15.493 -6.428
261 HB3 CYS 32 HB3 CYS 32 7.518 14.155 -6.010
262 H GLU 33 H GLU 33 4.928 14.298 -8.199
263 HA GLU 33 HA GLU 33 4.844 11.466 -7.821
264 HB2 GLU 33 HB2 GLU 33 2.723 13.469 -8.604
265 HB3 GLU 33 HB3 GLU 33 2.395 11.762 -8.338
266 HG2 GLU 33 HG2 GLU 33 3.564 12.229 -6.034
267 HG3 GLU 33 HG3 GLU 33 3.086 13.890 -6.382
268 H GLU 34 H GLU 34 4.853 13.603 -10.574
269 HA GLU 34 HA GLU 34 3.923 11.699 -12.479
270 HB2 GLU 34 HB2 GLU 34 5.490 14.260 -12.817
271 HB3 GLU 34 HB3 GLU 34 4.849 13.312 -14.153
272 HG2 GLU 34 HG2 GLU 34 2.605 13.612 -12.746
273 HG3 GLU 34 HG3 GLU 34 3.457 15.066 -12.227
274 H LYS 35 H LYS 35 7.166 12.978 -11.743
275 HA LYS 35 HA LYS 35 8.546 11.263 -13.507
276 HB2 LYS 35 HB2 LYS 35 9.198 13.332 -11.668
277 HB3 LYS 35 HB3 LYS 35 10.211 11.945 -11.287
278 HG2 LYS 35 HG2 LYS 35 9.941 13.049 -14.068
279 HG3 LYS 35 HG3 LYS 35 11.163 13.606 -12.922
280 HD2 LYS 35 HD2 LYS 35 11.722 11.073 -12.701
281 HD3 LYS 35 HD3 LYS 35 10.877 10.937 -14.245
282 HE2 LYS 35 HE2 LYS 35 13.022 11.278 -14.973
283 HE3 LYS 35 HE3 LYS 35 12.439 12.940 -14.909
284 HZ1 LYS 35 HZ1 LYS 35 14.696 12.130 -13.766
285 HZ2 LYS 35 HZ2 LYS 35 13.634 11.922 -12.467
286 HZ3 LYS 35 HZ3 LYS 35 13.788 13.440 -13.197
287 H PHE 36 H PHE 36 7.032 10.664 -10.537
288 HA PHE 36 HA PHE 36 8.732 8.552 -9.623
289 HB2 PHE 36 HB2 PHE 36 6.679 10.027 -8.510
290 HB3 PHE 36 HB3 PHE 36 5.955 8.435 -8.716
291 HD1 PHE 36 HD1 PHE 36 6.803 6.513 -7.507
292 HD2 PHE 36 HD2 PHE 36 8.500 10.381 -6.975
293 HE1 PHE 36 HE1 PHE 36 7.932 5.734 -5.464
294 HE2 PHE 36 HE2 PHE 36 9.632 9.607 -4.932
295 HZ PHE 36 HZ PHE 36 9.349 7.280 -4.174
296 H GLU 37 H GLU 37 5.754 8.742 -11.507
297 HA GLU 37 HA GLU 37 5.181 5.996 -11.604
298 HB2 GLU 37 HB2 GLU 37 4.409 8.387 -13.186
299 HB3 GLU 37 HB3 GLU 37 4.156 6.820 -13.941
300 HG2 GLU 37 HG2 GLU 37 3.083 7.630 -11.249
301 HG3 GLU 37 HG3 GLU 37 2.170 7.655 -12.757
302 H ARG 38 H ARG 38 7.584 7.879 -13.187
303 HA ARG 38 HA ARG 38 8.581 5.492 -14.523
304 HB2 ARG 38 HB2 ARG 38 7.055 6.939 -16.072
305 HB3 ARG 38 HB3 ARG 38 8.442 8.018 -16.130
306 HG2 ARG 38 HG2 ARG 38 8.834 6.725 -17.969
307 HG3 ARG 38 HG3 ARG 38 9.733 5.825 -16.746
308 HD2 ARG 38 HD2 ARG 38 6.865 5.168 -17.249
309 HD3 ARG 38 HD3 ARG 38 8.097 4.587 -18.368
310 HE ARG 38 HE ARG 38 7.569 3.612 -15.734
311 HH11 ARG 38 HH11 ARG 38 10.051 4.048 -18.135
312 HH12 ARG 38 HH12 ARG 38 11.033 2.748 -17.545
313 HH21 ARG 38 HH21 ARG 38 8.852 1.898 -14.947
314 HH22 ARG 38 HH22 ARG 38 10.349 1.525 -15.732
315 H GLN 39 H GLN 39 10.552 5.341 -13.676
316 HA GLN 39 HA GLN 39 12.034 7.523 -12.664
317 HB2 GLN 39 HB2 GLN 39 12.200 4.760 -12.516
318 HB3 GLN 39 HB3 GLN 39 13.651 5.212 -13.400
319 HG2 GLN 39 HG2 GLN 39 14.133 6.856 -11.566
320 HG3 GLN 39 HG3 GLN 39 12.810 6.120 -10.664
321 HE21 GLN 39 HE21 GLN 39 14.983 5.995 -9.331
322 HE22 GLN 39 HE22 GLN 39 15.770 4.460 -9.422
323 H GLN 40 H GLN 40 12.445 5.568 -15.611
324 HA GLN 40 HA GLN 40 14.413 7.478 -16.608
325 HB2 GLN 40 HB2 GLN 40 14.966 5.871 -18.257
326 HB3 GLN 40 HB3 GLN 40 14.728 4.967 -16.767
327 HG2 GLN 40 HG2 GLN 40 12.502 4.317 -17.498
328 HG3 GLN 40 HG3 GLN 40 12.706 5.253 -18.978
329 HE21 GLN 40 HE21 GLN 40 14.114 2.589 -17.134
330 HE22 GLN 40 HE22 GLN 40 14.665 1.695 -18.506
331 H ARG 41 H ARG 41 14.209 8.510 -18.642
332 HA ARG 41 HA ARG 41 11.548 9.423 -19.191
333 HB2 ARG 41 HB2 ARG 41 14.095 10.452 -19.548
334 HB3 ARG 41 HB3 ARG 41 13.558 10.115 -21.188
335 HG2 ARG 41 HG2 ARG 41 11.503 11.428 -20.730
336 HG3 ARG 41 HG3 ARG 41 12.179 11.852 -19.155
337 HD2 ARG 41 HD2 ARG 41 13.840 12.333 -21.572
338 HD3 ARG 41 HD3 ARG 41 12.477 13.411 -21.276
339 HE ARG 41 HE ARG 41 13.787 13.326 -18.891
340 HH11 ARG 41 HH11 ARG 41 14.714 14.072 -22.163
341 HH12 ARG 41 HH12 ARG 41 15.951 15.192 -21.695
342 HH21 ARG 41 HH21 ARG 41 15.412 14.798 -18.263
343 HH22 ARG 41 HH22 ARG 41 16.348 15.603 -19.477
Start of MODEL 15
1 H1 SER 1 H SER 1 5.091 -6.112 2.440
2 HA SER 1 HA SER 1 6.394 -5.176 4.052
3 HB2 SER 1 HB2 SER 1 8.203 -7.439 3.198
4 HB3 SER 1 HB3 SER 1 8.588 -6.363 4.541
5 HG SER 1 HG SER 1 7.498 -8.283 5.205
6 H GLU 2 H GLU 2 6.413 -3.919 1.570
7 HA GLU 2 HA GLU 2 9.051 -2.653 1.653
8 HB2 GLU 2 HB2 GLU 2 7.813 -4.016 -0.681
9 HB3 GLU 2 HB3 GLU 2 8.644 -2.497 -0.987
10 HG2 GLU 2 HG2 GLU 2 10.584 -3.567 0.345
11 HG3 GLU 2 HG3 GLU 2 9.750 -5.084 0.013
12 H LYS 3 H LYS 3 9.072 -0.525 0.580
13 HA LYS 3 HA LYS 3 6.529 0.726 0.025
14 HB2 LYS 3 HB2 LYS 3 8.095 1.319 2.519
15 HB3 LYS 3 HB3 LYS 3 7.108 2.565 1.767
16 HG2 LYS 3 HG2 LYS 3 5.207 0.841 1.888
17 HG3 LYS 3 HG3 LYS 3 6.247 -0.005 3.036
18 HD2 LYS 3 HD2 LYS 3 5.764 2.909 3.425
19 HD3 LYS 3 HD3 LYS 3 4.477 1.776 3.843
20 HE2 LYS 3 HE2 LYS 3 6.337 0.517 5.130
21 HE3 LYS 3 HE3 LYS 3 7.224 2.035 5.009
22 HZ1 LYS 3 HZ1 LYS 3 4.712 2.735 5.865
23 HZ2 LYS 3 HZ2 LYS 3 6.117 2.676 6.804
24 HZ3 LYS 3 HZ3 LYS 3 5.082 1.339 6.746
25 HA PRO 4 HA PRO 4 10.180 2.392 -2.303
26 HB2 PRO 4 HB2 PRO 4 8.984 2.249 -4.736
27 HB3 PRO 4 HB3 PRO 4 9.857 0.892 -4.013
28 HG2 PRO 4 HG2 PRO 4 6.912 1.421 -4.096
29 HG3 PRO 4 HG3 PRO 4 7.783 -0.100 -4.363
30 HD2 PRO 4 HD2 PRO 4 6.562 0.487 -2.019
31 HD3 PRO 4 HD3 PRO 4 8.037 -0.496 -2.107
32 H GLN 5 H GLN 5 6.928 3.253 -1.766
33 HA GLN 5 HA GLN 5 7.172 5.803 -3.169
34 HB2 GLN 5 HB2 GLN 5 4.801 6.115 -2.564
35 HB3 GLN 5 HB3 GLN 5 5.071 4.619 -3.447
36 HG2 GLN 5 HG2 GLN 5 5.026 3.380 -1.328
37 HG3 GLN 5 HG3 GLN 5 4.698 4.886 -0.473
38 HE21 GLN 5 HE21 GLN 5 2.838 3.476 0.200
39 HE22 GLN 5 HE22 GLN 5 1.408 3.554 -0.766
40 H GLN 6 H GLN 6 8.682 5.047 -0.687
41 HA GLN 6 HA GLN 6 7.587 6.791 1.349
42 HB2 GLN 6 HB2 GLN 6 9.853 4.875 1.165
43 HB3 GLN 6 HB3 GLN 6 9.996 6.180 2.335
44 HG2 GLN 6 HG2 GLN 6 7.549 4.462 2.238
45 HG3 GLN 6 HG3 GLN 6 9.000 3.936 3.090
46 HE21 GLN 6 HE21 GLN 6 6.271 6.013 3.115
47 HE22 GLN 6 HE22 GLN 6 6.532 6.705 4.676
48 H GLU 7 H GLU 7 10.023 6.885 -1.138
49 HA GLU 7 HA GLU 7 11.478 9.115 -0.183
50 HB2 GLU 7 HB2 GLU 7 11.486 7.425 -2.500
51 HB3 GLU 7 HB3 GLU 7 11.562 9.105 -3.013
52 HG2 GLU 7 HG2 GLU 7 13.783 8.173 -2.751
53 HG3 GLU 7 HG3 GLU 7 13.502 9.467 -1.587
54 H LEU 8 H LEU 8 8.577 8.787 -2.124
55 HA LEU 8 HA LEU 8 8.376 11.359 -3.162
56 HB2 LEU 8 HB2 LEU 8 6.923 9.395 -3.702
57 HB3 LEU 8 HB3 LEU 8 6.081 9.673 -2.179
58 HG LEU 8 HG LEU 8 5.320 11.846 -2.984
59 HD11 LEU 8 HD11 LEU 8 7.216 12.384 -4.423
60 HD12 LEU 8 HD12 LEU 8 5.691 12.521 -5.297
61 HD13 LEU 8 HD13 LEU 8 6.729 11.117 -5.549
62 HD21 LEU 8 HD21 LEU 8 3.552 10.793 -3.811
63 HD22 LEU 8 HD22 LEU 8 4.513 9.319 -3.932
64 HD23 LEU 8 HD23 LEU 8 4.424 10.430 -5.300
65 H GLU 9 H GLU 9 7.121 10.093 -0.083
66 HA GLU 9 HA GLU 9 5.864 12.356 0.867
67 HB2 GLU 9 HB2 GLU 9 7.444 10.303 2.426
68 HB3 GLU 9 HB3 GLU 9 6.343 11.472 3.143
69 HG2 GLU 9 HG2 GLU 9 5.402 9.581 1.026
70 HG3 GLU 9 HG3 GLU 9 5.515 9.077 2.711
71 H GLU 10 H GLU 10 9.289 11.590 0.812
72 HA GLU 10 HA GLU 10 10.102 13.746 2.490
73 HB2 GLU 10 HB2 GLU 10 11.731 12.246 0.433
74 HB3 GLU 10 HB3 GLU 10 12.360 13.224 1.751
75 HG2 GLU 10 HG2 GLU 10 10.844 10.637 1.982
76 HG3 GLU 10 HG3 GLU 10 12.552 10.906 2.322
77 H CYS 11 H CYS 11 9.863 13.294 -1.009
78 HA CYS 11 HA CYS 11 11.038 15.735 -1.767
79 HB2 CYS 11 HB2 CYS 11 10.376 13.634 -3.182
80 HB3 CYS 11 HB3 CYS 11 8.843 14.478 -3.376
81 H GLN 12 H GLN 12 7.604 14.844 -1.435
82 HA GLN 12 HA GLN 12 6.586 17.412 -1.976
83 HB2 GLN 12 HB2 GLN 12 5.325 15.239 -0.295
84 HB3 GLN 12 HB3 GLN 12 4.490 16.590 -1.050
85 HG2 GLN 12 HG2 GLN 12 5.508 15.595 -3.246
86 HG3 GLN 12 HG3 GLN 12 5.607 14.123 -2.281
87 HE21 GLN 12 HE21 GLN 12 3.879 15.213 -4.595
88 HE22 GLN 12 HE22 GLN 12 2.276 14.772 -4.124
89 H ASN 13 H ASN 13 7.470 15.809 1.049
90 HA ASN 13 HA ASN 13 6.494 17.692 2.850
91 HB2 ASN 13 HB2 ASN 13 8.687 15.666 2.924
92 HB3 ASN 13 HB3 ASN 13 8.603 16.853 4.222
93 HD21 ASN 13 HD21 ASN 13 8.340 14.420 5.062
94 HD22 ASN 13 HD22 ASN 13 6.699 14.000 5.403
95 H VAL 14 H VAL 14 9.541 17.613 1.070
96 HA VAL 14 HA VAL 14 10.682 19.881 2.357
97 HB VAL 14 HB VAL 14 11.333 18.670 -0.334
98 HG11 VAL 14 HG11 VAL 14 13.543 19.810 0.039
99 HG12 VAL 14 HG12 VAL 14 12.189 20.888 -0.302
100 HG13 VAL 14 HG13 VAL 14 12.778 20.705 1.351
101 HG21 VAL 14 HG21 VAL 14 11.635 17.550 2.162
102 HG22 VAL 14 HG22 VAL 14 12.538 17.106 0.714
103 HG23 VAL 14 HG23 VAL 14 13.215 18.271 1.852
104 H CYS 15 H CYS 15 8.777 19.415 -0.576
105 HA CYS 15 HA CYS 15 9.052 21.968 -1.676
106 HB2 CYS 15 HB2 CYS 15 6.703 20.067 -1.808
107 HB3 CYS 15 HB3 CYS 15 6.909 21.479 -2.839
108 H ARG 16 H ARG 16 6.708 20.718 0.668
109 HA ARG 16 HA ARG 16 5.169 23.081 0.857
110 HB2 ARG 16 HB2 ARG 16 5.550 20.917 2.936
111 HB3 ARG 16 HB3 ARG 16 4.246 22.096 2.892
112 HG2 ARG 16 HG2 ARG 16 3.126 21.007 1.250
113 HG3 ARG 16 HG3 ARG 16 4.601 20.393 0.499
114 HD2 ARG 16 HD2 ARG 16 4.814 18.928 2.598
115 HD3 ARG 16 HD3 ARG 16 3.124 19.339 2.888
116 HE ARG 16 HE ARG 16 3.658 18.319 0.248
117 HH11 ARG 16 HH11 ARG 16 2.856 17.519 3.539
118 HH12 ARG 16 HH12 ARG 16 2.137 15.996 3.131
119 HH21 ARG 16 HH21 ARG 16 2.715 16.316 -0.302
120 HH22 ARG 16 HH22 ARG 16 2.059 15.312 0.946
121 H MET 17 H MET 17 8.284 22.331 1.958
122 HA MET 17 HA MET 17 8.194 24.412 4.028
123 HB2 MET 17 HB2 MET 17 9.900 22.021 3.564
124 HB3 MET 17 HB3 MET 17 10.654 23.414 4.329
125 HG2 MET 17 HG2 MET 17 8.191 23.009 5.628
126 HG3 MET 17 HG3 MET 17 8.955 21.429 5.468
127 HE1 MET 17 HE1 MET 17 11.318 21.026 5.868
128 HE2 MET 17 HE2 MET 17 12.300 21.764 7.133
129 HE3 MET 17 HE3 MET 17 10.942 20.725 7.564
130 H LYS 18 H LYS 18 8.322 24.741 1.024
131 HA LYS 18 HA LYS 18 10.941 25.895 0.580
132 HB2 LYS 18 HB2 LYS 18 8.462 25.783 -1.146
133 HB3 LYS 18 HB3 LYS 18 9.987 26.496 -1.656
134 HG2 LYS 18 HG2 LYS 18 9.696 23.631 -0.789
135 HG3 LYS 18 HG3 LYS 18 9.583 24.170 -2.466
136 HD2 LYS 18 HD2 LYS 18 11.959 25.022 -0.902
137 HD3 LYS 18 HD3 LYS 18 11.868 23.329 -1.395
138 HE2 LYS 18 HE2 LYS 18 11.305 25.441 -3.418
139 HE3 LYS 18 HE3 LYS 18 12.978 25.157 -2.940
140 HZ1 LYS 18 HZ1 LYS 18 12.998 23.105 -3.880
141 HZ2 LYS 18 HZ2 LYS 18 11.861 23.833 -4.898
142 HZ3 LYS 18 HZ3 LYS 18 11.346 22.832 -3.635
143 H ARG 19 H ARG 19 7.719 26.955 1.386
144 HA ARG 19 HA ARG 19 6.820 29.001 1.831
145 HB2 ARG 19 HB2 ARG 19 9.674 29.335 2.727
146 HB3 ARG 19 HB3 ARG 19 8.498 30.630 2.908
147 HG2 ARG 19 HG2 ARG 19 7.851 27.916 3.955
148 HG3 ARG 19 HG3 ARG 19 8.947 28.963 4.860
149 HD2 ARG 19 HD2 ARG 19 6.846 29.443 5.755
150 HD3 ARG 19 HD3 ARG 19 7.130 30.753 4.610
151 HE ARG 19 HE ARG 19 5.721 28.587 3.412
152 HH11 ARG 19 HH11 ARG 19 5.347 31.361 5.481
153 HH12 ARG 19 HH12 ARG 19 3.675 31.591 5.090
154 HH21 ARG 19 HH21 ARG 19 3.520 28.878 2.889
155 HH22 ARG 19 HH22 ARG 19 2.636 30.177 3.616
156 H TRP 20 H TRP 20 7.506 28.617 -0.862
157 HA TRP 20 HA TRP 20 8.590 31.210 -1.706
158 HB2 TRP 20 HB2 TRP 20 8.426 28.517 -2.950
159 HB3 TRP 20 HB3 TRP 20 8.297 29.903 -4.030
160 HD1 TRP 20 HD1 TRP 20 10.823 27.647 -3.066
161 HE1 TRP 20 HE1 TRP 20 13.173 28.696 -3.054
162 HE3 TRP 20 HE3 TRP 20 9.506 32.587 -3.060
163 HZ2 TRP 20 HZ2 TRP 20 14.318 31.276 -3.042
164 HZ3 TRP 20 HZ3 TRP 20 11.290 34.282 -3.047
165 HH2 TRP 20 HH2 TRP 20 13.645 33.638 -3.038
166 H SER 21 H SER 21 5.991 29.001 -2.765
167 HA SER 21 HA SER 21 3.925 30.887 -2.547
168 HB2 SER 21 HB2 SER 21 3.538 31.350 -4.966
169 HB3 SER 21 HB3 SER 21 5.024 32.076 -4.355
170 HG SER 21 HG SER 21 5.898 31.070 -5.982
171 H THR 22 H THR 22 1.903 30.043 -3.142
172 HA THR 22 HA THR 22 1.543 27.322 -2.887
173 HB THR 22 HB THR 22 -0.296 28.874 -2.560
174 HG1 THR 22 HG1 THR 22 -1.650 27.349 -3.132
175 HG21 THR 22 HG21 THR 22 -1.327 30.110 -4.277
176 HG22 THR 22 HG22 THR 22 -0.499 29.202 -5.543
177 HG23 THR 22 HG23 THR 22 0.402 30.336 -4.537
178 H GLU 23 H GLU 23 1.978 29.222 -5.819
179 HA GLU 23 HA GLU 23 1.321 27.199 -7.670
180 HB2 GLU 23 HB2 GLU 23 2.894 29.744 -7.811
181 HB3 GLU 23 HB3 GLU 23 2.920 28.631 -9.172
182 HG2 GLU 23 HG2 GLU 23 0.538 28.799 -9.425
183 HG3 GLU 23 HG3 GLU 23 0.415 29.778 -7.964
184 H MET 24 H MET 24 4.411 28.190 -6.240
185 HA MET 24 HA MET 24 5.975 26.307 -7.687
186 HB2 MET 24 HB2 MET 24 6.541 27.809 -5.127
187 HB3 MET 24 HB3 MET 24 7.729 26.844 -5.992
188 HG2 MET 24 HG2 MET 24 6.276 29.058 -7.376
189 HG3 MET 24 HG3 MET 24 7.666 29.397 -6.347
190 HE1 MET 24 HE1 MET 24 7.415 29.413 -10.194
191 HE2 MET 24 HE2 MET 24 7.674 30.476 -8.811
192 HE3 MET 24 HE3 MET 24 9.045 29.951 -9.789
193 H VAL 25 H VAL 25 4.603 26.338 -4.415
194 HA VAL 25 HA VAL 25 5.677 23.936 -3.493
195 HB VAL 25 HB VAL 25 2.935 24.995 -2.806
196 HG11 VAL 25 HG11 VAL 25 3.165 23.817 -0.758
197 HG12 VAL 25 HG12 VAL 25 3.583 22.684 -2.045
198 HG13 VAL 25 HG13 VAL 25 4.856 23.441 -1.087
199 HG21 VAL 25 HG21 VAL 25 3.914 26.800 -1.961
200 HG22 VAL 25 HG22 VAL 25 4.807 25.759 -0.853
201 HG23 VAL 25 HG23 VAL 25 5.508 26.194 -2.412
202 H HIS 26 H HIS 26 2.483 24.492 -4.981
203 HA HIS 26 HA HIS 26 1.645 21.838 -5.049
204 HB2 HIS 26 HB2 HIS 26 0.990 24.196 -6.809
205 HB3 HIS 26 HB3 HIS 26 0.226 22.625 -7.031
206 HD1 HIS 26 HD1 HIS 26 -2.016 23.977 -6.457
207 HD2 HIS 26 HD2 HIS 26 0.689 23.516 -3.337
208 HE1 HIS 26 HE1 HIS 26 -3.314 24.479 -4.362
209 H ARG 27 H ARG 27 3.199 23.716 -7.653
210 HA ARG 27 HA ARG 27 3.395 21.682 -9.531
211 HB2 ARG 27 HB2 ARG 27 3.870 24.047 -10.017
212 HB3 ARG 27 HB3 ARG 27 5.337 23.950 -9.053
213 HG2 ARG 27 HG2 ARG 27 5.907 21.995 -10.717
214 HG3 ARG 27 HG3 ARG 27 4.761 22.849 -11.752
215 HD2 ARG 27 HD2 ARG 27 6.330 24.327 -12.282
216 HD3 ARG 27 HD3 ARG 27 6.500 24.766 -10.583
217 HE ARG 27 HE ARG 27 8.442 23.564 -10.511
218 HH11 ARG 27 HH11 ARG 27 6.626 22.608 -13.323
219 HH12 ARG 27 HH12 ARG 27 7.892 21.614 -13.963
220 HH21 ARG 27 HH21 ARG 27 10.117 22.258 -11.344
221 HH22 ARG 27 HH22 ARG 27 9.877 21.415 -12.836
222 H CYS 28 H CYS 28 5.721 22.620 -7.013
223 HA CYS 28 HA CYS 28 7.779 20.880 -7.600
224 HB2 CYS 28 HB2 CYS 28 7.827 22.644 -5.840
225 HB3 CYS 28 HB3 CYS 28 6.829 21.610 -4.823
226 H GLU 29 H GLU 29 4.888 20.268 -5.635
227 HA GLU 29 HA GLU 29 5.568 17.622 -4.916
228 HB2 GLU 29 HB2 GLU 29 2.893 19.014 -5.082
229 HB3 GLU 29 HB3 GLU 29 3.114 17.402 -4.417
230 HG2 GLU 29 HG2 GLU 29 4.925 18.689 -2.955
231 HG3 GLU 29 HG3 GLU 29 3.842 20.038 -3.294
232 H LYS 30 H LYS 30 3.873 18.999 -7.667
233 HA LYS 30 HA LYS 30 2.827 16.607 -8.723
234 HB2 LYS 30 HB2 LYS 30 3.434 19.316 -9.833
235 HB3 LYS 30 HB3 LYS 30 3.042 18.011 -10.944
236 HG2 LYS 30 HG2 LYS 30 0.961 17.650 -9.512
237 HG3 LYS 30 HG3 LYS 30 1.328 19.225 -8.805
238 HD2 LYS 30 HD2 LYS 30 1.227 20.256 -11.008
239 HD3 LYS 30 HD3 LYS 30 0.923 18.682 -11.747
240 HE2 LYS 30 HE2 LYS 30 -1.231 18.580 -10.965
241 HE3 LYS 30 HE3 LYS 30 -0.890 19.611 -9.576
242 HZ1 LYS 30 HZ1 LYS 30 -1.821 20.326 -12.185
243 HZ2 LYS 30 HZ2 LYS 30 -0.470 21.233 -11.724
244 HZ3 LYS 30 HZ3 LYS 30 -1.852 21.219 -10.748
245 H LYS 31 H LYS 31 5.697 18.446 -9.783
246 HA LYS 31 HA LYS 31 6.690 16.631 -11.607
247 HB2 LYS 31 HB2 LYS 31 8.932 17.640 -11.117
248 HB3 LYS 31 HB3 LYS 31 7.663 18.812 -11.448
249 HG2 LYS 31 HG2 LYS 31 7.400 19.162 -9.018
250 HG3 LYS 31 HG3 LYS 31 8.750 18.059 -8.743
251 HD2 LYS 31 HD2 LYS 31 9.859 19.756 -10.530
252 HD3 LYS 31 HD3 LYS 31 8.739 20.845 -9.707
253 HE2 LYS 31 HE2 LYS 31 9.917 20.805 -7.789
254 HE3 LYS 31 HE3 LYS 31 10.287 19.088 -7.934
255 HZ1 LYS 31 HZ1 LYS 31 11.877 21.347 -8.647
256 HZ2 LYS 31 HZ2 LYS 31 11.712 20.273 -9.943
257 HZ3 LYS 31 HZ3 LYS 31 12.331 19.727 -8.467
258 H CYS 32 H CYS 32 7.251 16.761 -8.111
259 HA CYS 32 HA CYS 32 9.124 14.689 -7.941
260 HB2 CYS 32 HB2 CYS 32 7.121 15.802 -5.989
261 HB3 CYS 32 HB3 CYS 32 8.172 14.458 -5.554
262 H GLU 33 H GLU 33 5.600 14.632 -7.977
263 HA GLU 33 HA GLU 33 5.412 11.824 -7.436
264 HB2 GLU 33 HB2 GLU 33 3.423 12.723 -6.836
265 HB3 GLU 33 HB3 GLU 33 3.552 14.038 -7.995
266 HG2 GLU 33 HG2 GLU 33 1.660 12.620 -8.508
267 HG3 GLU 33 HG3 GLU 33 2.868 12.535 -9.789
268 H GLU 34 H GLU 34 5.290 13.850 -10.328
269 HA GLU 34 HA GLU 34 4.606 11.803 -12.147
270 HB2 GLU 34 HB2 GLU 34 6.139 14.361 -12.648
271 HB3 GLU 34 HB3 GLU 34 5.404 13.351 -13.885
272 HG2 GLU 34 HG2 GLU 34 3.682 14.383 -11.696
273 HG3 GLU 34 HG3 GLU 34 4.201 15.496 -12.960
274 H LYS 35 H LYS 35 7.756 13.230 -11.305
275 HA LYS 35 HA LYS 35 9.291 11.540 -12.962
276 HB2 LYS 35 HB2 LYS 35 9.773 13.692 -11.217
277 HB3 LYS 35 HB3 LYS 35 10.744 12.359 -10.607
278 HG2 LYS 35 HG2 LYS 35 11.532 12.097 -13.041
279 HG3 LYS 35 HG3 LYS 35 10.879 13.721 -13.268
280 HD2 LYS 35 HD2 LYS 35 12.300 14.511 -11.403
281 HD3 LYS 35 HD3 LYS 35 12.998 12.894 -11.284
282 HE2 LYS 35 HE2 LYS 35 14.522 14.143 -12.572
283 HE3 LYS 35 HE3 LYS 35 13.635 13.150 -13.727
284 HZ1 LYS 35 HZ1 LYS 35 12.244 15.052 -14.246
285 HZ2 LYS 35 HZ2 LYS 35 13.872 15.424 -14.507
286 HZ3 LYS 35 HZ3 LYS 35 13.083 16.007 -13.129
287 H PHE 36 H PHE 36 7.644 10.932 -10.064
288 HA PHE 36 HA PHE 36 9.368 8.898 -9.027
289 HB2 PHE 36 HB2 PHE 36 7.217 10.315 -8.041
290 HB3 PHE 36 HB3 PHE 36 6.546 8.703 -8.271
291 HD1 PHE 36 HD2 PHE 36 9.020 10.703 -6.461
292 HD2 PHE 36 HD1 PHE 36 7.299 6.841 -6.951
293 HE1 PHE 36 HE2 PHE 36 10.058 9.977 -4.352
294 HE2 PHE 36 HE1 PHE 36 8.333 6.109 -4.842
295 HZ PHE 36 HZ PHE 36 9.716 7.677 -3.540
296 H GLU 37 H GLU 37 6.499 8.953 -11.078
297 HA GLU 37 HA GLU 37 6.032 6.183 -11.156
298 HB2 GLU 37 HB2 GLU 37 5.434 8.296 -13.233
299 HB3 GLU 37 HB3 GLU 37 4.783 6.663 -13.246
300 HG2 GLU 37 HG2 GLU 37 3.659 7.089 -11.122
301 HG3 GLU 37 HG3 GLU 37 4.311 8.727 -11.106
302 H ARG 38 H ARG 38 6.793 4.559 -12.428
303 HA ARG 38 HA ARG 38 9.364 4.923 -13.631
304 HB2 ARG 38 HB2 ARG 38 8.293 2.828 -12.429
305 HB3 ARG 38 HB3 ARG 38 7.753 2.444 -14.057
306 HG2 ARG 38 HG2 ARG 38 10.033 2.425 -14.852
307 HG3 ARG 38 HG3 ARG 38 10.616 2.931 -13.265
308 HD2 ARG 38 HD2 ARG 38 9.490 0.821 -12.373
309 HD3 ARG 38 HD3 ARG 38 9.375 0.313 -14.057
310 HE ARG 38 HE ARG 38 11.734 0.366 -12.421
311 HH11 ARG 38 HH11 ARG 38 10.512 0.467 -15.679
312 HH12 ARG 38 HH12 ARG 38 11.978 -0.128 -16.386
313 HH21 ARG 38 HH21 ARG 38 13.669 -0.418 -13.340
314 HH22 ARG 38 HH22 ARG 38 13.772 -0.632 -15.055
315 H GLN 39 H GLN 39 9.914 4.378 -15.831
316 HA GLN 39 HA GLN 39 7.806 4.301 -17.807
317 HB2 GLN 39 HB2 GLN 39 9.095 6.785 -17.095
318 HB3 GLN 39 HB3 GLN 39 9.437 6.373 -18.770
319 HG2 GLN 39 HG2 GLN 39 7.064 6.195 -19.236
320 HG3 GLN 39 HG3 GLN 39 6.692 6.538 -17.547
321 HE21 GLN 39 HE21 GLN 39 6.736 7.860 -20.502
322 HE22 GLN 39 HE22 GLN 39 6.987 9.521 -20.098
323 H GLN 40 H GLN 40 8.623 3.940 -19.981
324 HA GLN 40 HA GLN 40 10.889 2.192 -19.964
325 HB2 GLN 40 HB2 GLN 40 10.286 1.612 -22.148
326 HB3 GLN 40 HB3 GLN 40 8.751 1.997 -21.381
327 HG2 GLN 40 HG2 GLN 40 10.334 3.807 -23.191
328 HG3 GLN 40 HG3 GLN 40 8.869 2.924 -23.618
329 HE21 GLN 40 HE21 GLN 40 9.693 5.863 -23.335
330 HE22 GLN 40 HE22 GLN 40 8.389 6.559 -22.441
331 H ARG 41 H ARG 41 10.335 5.515 -20.771
332 HA ARG 41 HA ARG 41 11.722 7.197 -21.420
333 HB2 ARG 41 HB2 ARG 41 13.239 5.569 -19.748
334 HB3 ARG 41 HB3 ARG 41 14.261 5.806 -21.159
335 HG2 ARG 41 HG2 ARG 41 12.936 8.155 -19.884
336 HG3 ARG 41 HG3 ARG 41 14.389 7.460 -19.161
337 HD2 ARG 41 HD2 ARG 41 15.300 9.045 -20.556
338 HD3 ARG 41 HD3 ARG 41 15.322 7.622 -21.596
339 HE ARG 41 HE ARG 41 12.919 8.842 -22.099
340 HH11 ARG 41 HH11 ARG 41 16.272 9.763 -22.260
341 HH12 ARG 41 HH12 ARG 41 16.036 10.886 -23.558
342 HH21 ARG 41 HH21 ARG 41 12.595 10.318 -23.808
343 HH22 ARG 41 HH22 ARG 41 13.944 11.202 -24.437
Start of MODEL 16
1 H1 SER 1 H SER 1 4.180 0.039 6.828
2 HA SER 1 HA SER 1 4.409 -2.026 4.763
3 HB2 SER 1 HB2 SER 1 2.746 -0.157 4.505
4 HB3 SER 1 HB3 SER 1 4.105 0.961 4.385
5 HG SER 1 HG SER 1 4.349 0.379 2.389
6 H GLU 2 H GLU 2 6.054 -1.887 3.138
7 HA GLU 2 HA GLU 2 8.378 -0.234 3.773
8 HB2 GLU 2 HB2 GLU 2 9.675 -2.518 3.189
9 HB3 GLU 2 HB3 GLU 2 9.290 -2.019 4.831
10 HG2 GLU 2 HG2 GLU 2 7.349 -3.682 3.296
11 HG3 GLU 2 HG3 GLU 2 8.759 -4.433 4.040
12 H LYS 3 H LYS 3 8.585 0.885 1.943
13 HA LYS 3 HA LYS 3 9.203 -0.499 -0.503
14 HB2 LYS 3 HB2 LYS 3 6.593 0.876 -0.110
15 HB3 LYS 3 HB3 LYS 3 7.402 1.099 -1.656
16 HG2 LYS 3 HG2 LYS 3 7.588 -1.497 -1.623
17 HG3 LYS 3 HG3 LYS 3 6.276 -1.384 -0.448
18 HD2 LYS 3 HD2 LYS 3 4.813 -0.430 -1.995
19 HD3 LYS 3 HD3 LYS 3 6.123 0.057 -3.073
20 HE2 LYS 3 HE2 LYS 3 6.560 -2.325 -3.558
21 HE3 LYS 3 HE3 LYS 3 5.186 -2.761 -2.543
22 HZ1 LYS 3 HZ1 LYS 3 4.089 -0.979 -4.220
23 HZ2 LYS 3 HZ2 LYS 3 4.059 -2.653 -4.458
24 HZ3 LYS 3 HZ3 LYS 3 5.230 -1.710 -5.234
25 HA PRO 4 HA PRO 4 11.645 3.066 -1.261
26 HB2 PRO 4 HB2 PRO 4 11.542 3.286 -3.965
27 HB3 PRO 4 HB3 PRO 4 12.441 2.007 -3.139
28 HG2 PRO 4 HG2 PRO 4 9.725 1.906 -4.393
29 HG3 PRO 4 HG3 PRO 4 11.040 0.719 -4.475
30 HD2 PRO 4 HD2 PRO 4 8.918 0.431 -2.817
31 HD3 PRO 4 HD3 PRO 4 10.539 -0.165 -2.406
32 H GLN 5 H GLN 5 8.340 3.040 -2.216
33 HA GLN 5 HA GLN 5 8.127 5.641 -3.288
34 HB2 GLN 5 HB2 GLN 5 5.714 5.415 -2.819
35 HB3 GLN 5 HB3 GLN 5 6.373 3.997 -3.624
36 HG2 GLN 5 HG2 GLN 5 6.131 2.663 -1.781
37 HG3 GLN 5 HG3 GLN 5 6.223 4.016 -0.654
38 HE21 GLN 5 HE21 GLN 5 4.251 1.757 -1.196
39 HE22 GLN 5 HE22 GLN 5 2.719 2.554 -1.243
40 H GLN 6 H GLN 6 8.515 4.491 -0.079
41 HA GLN 6 HA GLN 6 7.267 6.451 1.437
42 HB2 GLN 6 HB2 GLN 6 9.608 4.658 1.855
43 HB3 GLN 6 HB3 GLN 6 9.375 5.979 2.992
44 HG2 GLN 6 HG2 GLN 6 8.365 3.725 3.586
45 HG3 GLN 6 HG3 GLN 6 7.330 5.144 3.732
46 HE21 GLN 6 HE21 GLN 6 5.539 5.315 2.481
47 HE22 GLN 6 HE22 GLN 6 4.999 4.084 1.396
48 H GLU 7 H GLU 7 10.239 6.580 -0.387
49 HA GLU 7 HA GLU 7 11.333 8.902 0.790
50 HB2 GLU 7 HB2 GLU 7 11.891 7.200 -1.492
51 HB3 GLU 7 HB3 GLU 7 12.152 8.895 -1.879
52 HG2 GLU 7 HG2 GLU 7 14.194 8.499 -1.049
53 HG3 GLU 7 HG3 GLU 7 13.396 8.765 0.500
54 H LEU 8 H LEU 8 9.086 8.402 -1.880
55 HA LEU 8 HA LEU 8 9.021 10.980 -2.923
56 HB2 LEU 8 HB2 LEU 8 7.939 8.991 -3.922
57 HB3 LEU 8 HB3 LEU 8 6.704 9.067 -2.667
58 HG LEU 8 HG LEU 8 6.014 11.280 -3.535
59 HD11 LEU 8 HD11 LEU 8 8.230 11.820 -4.555
60 HD12 LEU 8 HD12 LEU 8 6.845 12.119 -5.605
61 HD13 LEU 8 HD13 LEU 8 7.845 10.687 -5.851
62 HD21 LEU 8 HD21 LEU 8 6.000 9.190 -5.703
63 HD22 LEU 8 HD22 LEU 8 4.796 10.442 -5.395
64 HD23 LEU 8 HD23 LEU 8 4.987 9.103 -4.262
65 H GLU 9 H GLU 9 7.021 9.562 -0.344
66 HA GLU 9 HA GLU 9 5.381 11.711 0.201
67 HB2 GLU 9 HB2 GLU 9 6.501 9.513 1.900
68 HB3 GLU 9 HB3 GLU 9 5.561 10.795 2.651
69 HG2 GLU 9 HG2 GLU 9 3.701 10.283 1.109
70 HG3 GLU 9 HG3 GLU 9 4.642 8.936 0.472
71 H GLU 10 H GLU 10 8.735 11.221 1.066
72 HA GLU 10 HA GLU 10 8.862 13.385 2.933
73 HB2 GLU 10 HB2 GLU 10 11.067 11.931 1.461
74 HB3 GLU 10 HB3 GLU 10 11.310 13.060 2.786
75 HG2 GLU 10 HG2 GLU 10 9.566 10.667 3.160
76 HG3 GLU 10 HG3 GLU 10 11.320 10.515 3.247
77 H CYS 11 H CYS 11 9.711 12.966 -0.477
78 HA CYS 11 HA CYS 11 10.871 15.497 -0.871
79 HB2 CYS 11 HB2 CYS 11 10.810 13.374 -2.404
80 HB3 CYS 11 HB3 CYS 11 9.347 14.111 -3.049
81 H GLN 12 H GLN 12 7.551 14.353 -1.437
82 HA GLN 12 HA GLN 12 6.547 16.837 -2.331
83 HB2 GLN 12 HB2 GLN 12 5.028 14.577 -1.019
84 HB3 GLN 12 HB3 GLN 12 4.339 15.862 -2.002
85 HG2 GLN 12 HG2 GLN 12 6.138 14.866 -3.733
86 HG3 GLN 12 HG3 GLN 12 5.764 13.416 -2.804
87 HE21 GLN 12 HE21 GLN 12 5.069 14.697 -5.574
88 HE22 GLN 12 HE22 GLN 12 3.389 14.329 -5.736
89 H ASN 13 H ASN 13 6.555 15.276 0.854
90 HA ASN 13 HA ASN 13 5.023 17.106 2.261
91 HB2 ASN 13 HB2 ASN 13 5.804 14.960 3.192
92 HB3 ASN 13 HB3 ASN 13 7.447 15.593 3.262
93 HD21 ASN 13 HD21 ASN 13 4.869 14.931 5.088
94 HD22 ASN 13 HD22 ASN 13 5.065 16.099 6.346
95 H VAL 14 H VAL 14 8.479 17.193 1.507
96 HA VAL 14 HA VAL 14 9.053 19.533 3.003
97 HB VAL 14 HB VAL 14 10.520 18.376 0.629
98 HG11 VAL 14 HG11 VAL 14 11.117 20.630 2.486
99 HG12 VAL 14 HG12 VAL 14 12.446 19.643 1.874
100 HG13 VAL 14 HG13 VAL 14 11.390 20.499 0.749
101 HG21 VAL 14 HG21 VAL 14 11.529 16.920 2.006
102 HG22 VAL 14 HG22 VAL 14 11.658 18.095 3.315
103 HG23 VAL 14 HG23 VAL 14 10.151 17.214 3.067
104 H CYS 15 H CYS 15 8.176 18.968 -0.376
105 HA CYS 15 HA CYS 15 8.582 21.535 -1.374
106 HB2 CYS 15 HB2 CYS 15 6.555 19.430 -2.141
107 HB3 CYS 15 HB3 CYS 15 6.809 20.910 -3.059
108 H ARG 16 H ARG 16 5.746 20.147 0.229
109 HA ARG 16 HA ARG 16 4.070 22.398 -0.080
110 HB2 ARG 16 HB2 ARG 16 3.995 20.290 2.087
111 HB3 ARG 16 HB3 ARG 16 2.680 21.372 1.645
112 HG2 ARG 16 HG2 ARG 16 2.145 20.191 -0.216
113 HG3 ARG 16 HG3 ARG 16 3.806 19.664 -0.495
114 HD2 ARG 16 HD2 ARG 16 3.498 18.248 1.624
115 HD3 ARG 16 HD3 ARG 16 1.775 18.555 1.415
116 HE ARG 16 HE ARG 16 3.060 17.542 -0.947
117 HH11 ARG 16 HH11 ARG 16 1.515 16.698 2.056
118 HH12 ARG 16 HH12 ARG 16 1.053 15.115 1.524
119 HH21 ARG 16 HH21 ARG 16 2.459 15.460 -1.659
120 HH22 ARG 16 HH22 ARG 16 1.592 14.412 -0.589
121 H MET 17 H MET 17 6.752 21.808 1.947
122 HA MET 17 HA MET 17 5.961 23.777 3.938
123 HB2 MET 17 HB2 MET 17 8.034 21.700 3.708
124 HB3 MET 17 HB3 MET 17 8.559 23.171 4.516
125 HG2 MET 17 HG2 MET 17 5.977 22.319 5.475
126 HG3 MET 17 HG3 MET 17 7.177 21.039 5.633
127 HE1 MET 17 HE1 MET 17 9.906 23.082 6.118
128 HE2 MET 17 HE2 MET 17 9.918 22.635 7.823
129 HE3 MET 17 HE3 MET 17 9.518 21.430 6.598
130 H LYS 18 H LYS 18 7.024 24.019 0.906
131 HA LYS 18 HA LYS 18 9.194 25.868 1.189
132 HB2 LYS 18 HB2 LYS 18 7.424 25.194 -1.166
133 HB3 LYS 18 HB3 LYS 18 8.817 26.265 -1.253
134 HG2 LYS 18 HG2 LYS 18 8.858 23.343 -0.528
135 HG3 LYS 18 HG3 LYS 18 9.392 24.057 -2.051
136 HD2 LYS 18 HD2 LYS 18 10.960 25.469 -0.527
137 HD3 LYS 18 HD3 LYS 18 10.656 24.197 0.658
138 HE2 LYS 18 HE2 LYS 18 12.676 23.713 -0.594
139 HE3 LYS 18 HE3 LYS 18 11.429 22.522 -0.964
140 HZ1 LYS 18 HZ1 LYS 18 11.127 23.362 -3.067
141 HZ2 LYS 18 HZ2 LYS 18 12.791 23.584 -2.869
142 HZ3 LYS 18 HZ3 LYS 18 11.735 24.892 -2.680
143 H ARG 19 H ARG 19 9.036 27.925 1.764
144 HA ARG 19 HA ARG 19 6.433 29.239 1.701
145 HB2 ARG 19 HB2 ARG 19 8.301 29.213 3.629
146 HB3 ARG 19 HB3 ARG 19 8.824 30.646 2.755
147 HG2 ARG 19 HG2 ARG 19 6.685 31.690 3.073
148 HG3 ARG 19 HG3 ARG 19 6.033 30.218 3.796
149 HD2 ARG 19 HD2 ARG 19 7.707 30.425 5.611
150 HD3 ARG 19 HD3 ARG 19 8.234 31.954 4.908
151 HE ARG 19 HE ARG 19 6.368 32.967 5.779
152 HH11 ARG 19 HH11 ARG 19 6.006 29.509 5.966
153 HH12 ARG 19 HH12 ARG 19 4.581 29.581 6.948
154 HH21 ARG 19 HH21 ARG 19 4.493 33.074 7.073
155 HH22 ARG 19 HH22 ARG 19 3.721 31.609 7.577
156 H TRP 20 H TRP 20 7.435 28.851 -0.824
157 HA TRP 20 HA TRP 20 8.554 31.442 -1.628
158 HB2 TRP 20 HB2 TRP 20 8.555 28.712 -2.830
159 HB3 TRP 20 HB3 TRP 20 8.625 30.096 -3.917
160 HD1 TRP 20 HD1 TRP 20 10.662 28.318 -1.203
161 HE1 TRP 20 HE1 TRP 20 13.104 29.115 -1.358
162 HE3 TRP 20 HE3 TRP 20 10.085 32.031 -4.669
163 HZ2 TRP 20 HZ2 TRP 20 14.590 31.060 -2.763
164 HZ3 TRP 20 HZ3 TRP 20 12.067 33.313 -5.364
165 HH2 TRP 20 HH2 TRP 20 14.272 32.837 -4.430
166 H SER 21 H SER 21 6.164 29.127 -2.923
167 HA SER 21 HA SER 21 4.048 30.981 -3.028
168 HB2 SER 21 HB2 SER 21 3.931 31.407 -5.436
169 HB3 SER 21 HB3 SER 21 5.442 32.033 -4.775
170 HG SER 21 HG SER 21 5.231 30.460 -6.799
171 H THR 22 H THR 22 2.121 30.041 -3.705
172 HA THR 22 HA THR 22 1.810 27.320 -3.392
173 HB THR 22 HB THR 22 -0.098 28.787 -3.238
174 HG1 THR 22 HG1 THR 22 -1.534 27.593 -4.699
175 HG21 THR 22 HG21 THR 22 0.642 30.365 -5.029
176 HG22 THR 22 HG22 THR 22 -1.064 29.925 -5.121
177 HG23 THR 22 HG23 THR 22 0.098 29.186 -6.223
178 H GLU 23 H GLU 23 2.323 29.150 -6.370
179 HA GLU 23 HA GLU 23 1.878 27.072 -8.196
180 HB2 GLU 23 HB2 GLU 23 2.062 29.452 -8.828
181 HB3 GLU 23 HB3 GLU 23 3.779 29.408 -8.456
182 HG2 GLU 23 HG2 GLU 23 3.199 29.232 -10.881
183 HG3 GLU 23 HG3 GLU 23 4.229 27.946 -10.257
184 H MET 24 H MET 24 4.834 28.114 -6.543
185 HA MET 24 HA MET 24 6.572 26.297 -7.826
186 HB2 MET 24 HB2 MET 24 6.709 27.870 -5.274
187 HB3 MET 24 HB3 MET 24 7.961 26.698 -5.663
188 HG2 MET 24 HG2 MET 24 7.166 28.942 -7.497
189 HG3 MET 24 HG3 MET 24 8.455 29.067 -6.302
190 HE1 MET 24 HE1 MET 24 10.219 27.249 -6.072
191 HE2 MET 24 HE2 MET 24 11.129 26.658 -7.463
192 HE3 MET 24 HE3 MET 24 11.091 28.385 -7.102
193 H VAL 25 H VAL 25 4.486 26.032 -5.024
194 HA VAL 25 HA VAL 25 5.559 23.656 -3.947
195 HB VAL 25 HB VAL 25 2.700 24.619 -3.788
196 HG11 VAL 25 HG11 VAL 25 4.277 22.735 -2.039
197 HG12 VAL 25 HG12 VAL 25 2.653 23.329 -1.689
198 HG13 VAL 25 HG13 VAL 25 2.936 22.309 -3.101
199 HG21 VAL 25 HG21 VAL 25 4.110 25.164 -1.411
200 HG22 VAL 25 HG22 VAL 25 5.109 25.751 -2.740
201 HG23 VAL 25 HG23 VAL 25 3.448 26.319 -2.568
202 H HIS 26 H HIS 26 2.671 24.138 -5.988
203 HA HIS 26 HA HIS 26 2.030 21.462 -6.366
204 HB2 HIS 26 HB2 HIS 26 1.485 23.982 -7.852
205 HB3 HIS 26 HB3 HIS 26 1.173 22.465 -8.691
206 HD1 HIS 26 HD1 HIS 26 -1.161 21.724 -8.441
207 HD2 HIS 26 HD2 HIS 26 0.139 23.840 -5.110
208 HE1 HIS 26 HE1 HIS 26 -3.136 21.810 -6.886
209 H ARG 27 H ARG 27 4.120 23.556 -8.334
210 HA ARG 27 HA ARG 27 4.749 21.676 -10.312
211 HB2 ARG 27 HB2 ARG 27 5.259 23.978 -10.697
212 HB3 ARG 27 HB3 ARG 27 6.271 24.058 -9.261
213 HG2 ARG 27 HG2 ARG 27 7.877 22.540 -10.314
214 HG3 ARG 27 HG3 ARG 27 6.865 22.484 -11.758
215 HD2 ARG 27 HD2 ARG 27 7.355 24.662 -12.346
216 HD3 ARG 27 HD3 ARG 27 7.773 25.122 -10.696
217 HE ARG 27 HE ARG 27 9.656 23.263 -11.467
218 HH11 ARG 27 HH11 ARG 27 8.583 26.391 -12.554
219 HH12 ARG 27 HH12 ARG 27 10.129 26.846 -13.189
220 HH21 ARG 27 HH21 ARG 27 11.697 23.850 -12.299
221 HH22 ARG 27 HH22 ARG 27 11.900 25.399 -13.045
222 H CYS 28 H CYS 28 6.409 22.470 -7.275
223 HA CYS 28 HA CYS 28 8.609 20.793 -7.542
224 HB2 CYS 28 HB2 CYS 28 8.298 22.496 -5.748
225 HB3 CYS 28 HB3 CYS 28 7.136 21.422 -4.976
226 H GLU 29 H GLU 29 5.524 20.092 -5.895
227 HA GLU 29 HA GLU 29 6.010 17.475 -5.173
228 HB2 GLU 29 HB2 GLU 29 3.413 18.731 -6.076
229 HB3 GLU 29 HB3 GLU 29 3.534 17.163 -5.290
230 HG2 GLU 29 HG2 GLU 29 4.806 18.549 -3.455
231 HG3 GLU 29 HG3 GLU 29 3.900 19.885 -4.161
232 H LYS 30 H LYS 30 4.343 18.547 -8.140
233 HA LYS 30 HA LYS 30 4.119 16.047 -9.343
234 HB2 LYS 30 HB2 LYS 30 4.410 18.777 -10.607
235 HB3 LYS 30 HB3 LYS 30 3.958 17.324 -11.490
236 HG2 LYS 30 HG2 LYS 30 2.069 17.170 -9.696
237 HG3 LYS 30 HG3 LYS 30 2.399 18.893 -9.495
238 HD2 LYS 30 HD2 LYS 30 2.027 17.803 -12.246
239 HD3 LYS 30 HD3 LYS 30 0.608 18.055 -11.227
240 HE2 LYS 30 HE2 LYS 30 0.816 20.062 -12.393
241 HE3 LYS 30 HE3 LYS 30 1.562 20.406 -10.833
242 HZ1 LYS 30 HZ1 LYS 30 3.621 20.540 -11.739
243 HZ2 LYS 30 HZ2 LYS 30 2.732 21.014 -13.097
244 HZ3 LYS 30 HZ3 LYS 30 3.296 19.424 -12.969
245 H LYS 31 H LYS 31 6.841 18.198 -9.099
246 HA LYS 31 HA LYS 31 8.402 17.044 -11.178
247 HB2 LYS 31 HB2 LYS 31 8.659 19.179 -9.316
248 HB3 LYS 31 HB3 LYS 31 10.074 18.149 -9.142
249 HG2 LYS 31 HG2 LYS 31 10.479 18.332 -11.561
250 HG3 LYS 31 HG3 LYS 31 9.094 19.419 -11.691
251 HD2 LYS 31 HD2 LYS 31 11.121 20.722 -11.592
252 HD3 LYS 31 HD3 LYS 31 10.206 20.958 -10.100
253 HE2 LYS 31 HE2 LYS 31 11.672 19.603 -8.862
254 HE3 LYS 31 HE3 LYS 31 12.387 18.904 -10.314
255 HZ1 LYS 31 HZ1 LYS 31 12.638 21.776 -9.632
256 HZ2 LYS 31 HZ2 LYS 31 13.521 20.899 -10.778
257 HZ3 LYS 31 HZ3 LYS 31 13.762 20.617 -9.128
258 H CYS 32 H CYS 32 8.280 16.564 -7.665
259 HA CYS 32 HA CYS 32 10.365 14.646 -7.572
260 HB2 CYS 32 HB2 CYS 32 8.133 15.374 -5.685
261 HB3 CYS 32 HB3 CYS 32 9.248 14.058 -5.329
262 H GLU 33 H GLU 33 6.980 14.466 -8.312
263 HA GLU 33 HA GLU 33 6.729 11.640 -7.913
264 HB2 GLU 33 HB2 GLU 33 4.540 12.004 -8.243
265 HB3 GLU 33 HB3 GLU 33 4.953 13.713 -8.240
266 HG2 GLU 33 HG2 GLU 33 5.195 13.636 -10.686
267 HG3 GLU 33 HG3 GLU 33 4.705 11.942 -10.661
268 H GLU 34 H GLU 34 7.380 13.753 -10.658
269 HA GLU 34 HA GLU 34 7.301 11.632 -12.588
270 HB2 GLU 34 HB2 GLU 34 8.173 13.317 -14.152
271 HB3 GLU 34 HB3 GLU 34 6.784 13.916 -13.256
272 HG2 GLU 34 HG2 GLU 34 8.208 15.209 -11.813
273 HG3 GLU 34 HG3 GLU 34 9.648 14.526 -12.566
274 H LYS 35 H LYS 35 9.774 13.240 -10.692
275 HA LYS 35 HA LYS 35 11.981 12.053 -12.079
276 HB2 LYS 35 HB2 LYS 35 11.598 13.994 -10.001
277 HB3 LYS 35 HB3 LYS 35 12.775 12.802 -9.466
278 HG2 LYS 35 HG2 LYS 35 13.064 13.958 -12.190
279 HG3 LYS 35 HG3 LYS 35 13.503 14.946 -10.794
280 HD2 LYS 35 HD2 LYS 35 15.508 13.925 -11.159
281 HD3 LYS 35 HD3 LYS 35 14.773 12.721 -10.098
282 HE2 LYS 35 HE2 LYS 35 14.161 11.354 -11.955
283 HE3 LYS 35 HE3 LYS 35 14.605 12.615 -13.104
284 HZ1 LYS 35 HZ1 LYS 35 16.904 12.287 -11.802
285 HZ2 LYS 35 HZ2 LYS 35 16.502 11.443 -13.211
286 HZ3 LYS 35 HZ3 LYS 35 16.287 10.715 -11.699
287 H PHE 36 H PHE 36 9.769 10.949 -9.757
288 HA PHE 36 HA PHE 36 11.481 9.088 -8.417
289 HB2 PHE 36 HB2 PHE 36 8.962 10.099 -7.940
290 HB3 PHE 36 HB3 PHE 36 8.625 8.441 -8.429
291 HD1 PHE 36 HD1 PHE 36 10.422 10.537 -5.988
292 HD2 PHE 36 HD2 PHE 36 9.121 6.615 -7.009
293 HE1 PHE 36 HE1 PHE 36 11.007 9.759 -3.728
294 HE2 PHE 36 HE2 PHE 36 9.702 5.831 -4.750
295 HZ PHE 36 HZ PHE 36 10.645 7.403 -3.106
296 H GLU 37 H GLU 37 8.885 8.712 -10.831
297 HA GLU 37 HA GLU 37 9.582 5.954 -11.296
298 HB2 GLU 37 HB2 GLU 37 7.630 7.801 -12.679
299 HB3 GLU 37 HB3 GLU 37 7.826 6.099 -13.073
300 HG2 GLU 37 HG2 GLU 37 7.097 7.071 -10.326
301 HG3 GLU 37 HG3 GLU 37 5.904 6.670 -11.560
302 H ARG 38 H ARG 38 10.956 5.186 -12.765
303 HA ARG 38 HA ARG 38 12.580 6.941 -14.300
304 HB2 ARG 38 HB2 ARG 38 13.078 4.557 -13.323
305 HB3 ARG 38 HB3 ARG 38 12.424 4.005 -14.860
306 HG2 ARG 38 HG2 ARG 38 14.536 6.097 -14.887
307 HG3 ARG 38 HG3 ARG 38 14.994 4.429 -14.538
308 HD2 ARG 38 HD2 ARG 38 13.526 3.926 -16.659
309 HD3 ARG 38 HD3 ARG 38 13.872 5.614 -17.032
310 HE ARG 38 HE ARG 38 16.312 4.575 -16.467
311 HH11 ARG 38 HH11 ARG 38 13.745 3.665 -18.636
312 HH12 ARG 38 HH12 ARG 38 14.809 2.960 -19.808
313 HH21 ARG 38 HH21 ARG 38 17.722 3.649 -18.002
314 HH22 ARG 38 HH22 ARG 38 17.071 2.951 -19.446
315 H GLN 39 H GLN 39 9.861 4.830 -15.054
316 HA GLN 39 HA GLN 39 10.040 5.345 -17.889
317 HB2 GLN 39 HB2 GLN 39 8.918 3.338 -16.358
318 HB3 GLN 39 HB3 GLN 39 7.516 4.234 -16.926
319 HG2 GLN 39 HG2 GLN 39 8.392 4.010 -19.242
320 HG3 GLN 39 HG3 GLN 39 9.662 2.966 -18.607
321 HE21 GLN 39 HE21 GLN 39 6.151 3.273 -18.160
322 HE22 GLN 39 HE22 GLN 39 5.802 1.601 -18.418
323 H GLN 40 H GLN 40 8.301 6.317 -19.124
324 HA GLN 40 HA GLN 40 7.424 8.779 -17.938
325 HB2 GLN 40 HB2 GLN 40 6.706 9.399 -20.108
326 HB3 GLN 40 HB3 GLN 40 8.185 8.476 -20.338
327 HG2 GLN 40 HG2 GLN 40 6.583 6.467 -20.663
328 HG3 GLN 40 HG3 GLN 40 5.366 7.711 -20.948
329 HE21 GLN 40 HE21 GLN 40 5.578 9.073 -22.742
330 HE22 GLN 40 HE22 GLN 40 6.580 8.654 -24.085
331 H ARG 41 H ARG 41 5.113 9.517 -18.291
332 HA ARG 41 HA ARG 41 2.905 9.345 -17.771
333 HB2 ARG 41 HB2 ARG 41 3.386 7.362 -19.633
334 HB3 ARG 41 HB3 ARG 41 2.597 6.491 -18.325
335 HG2 ARG 41 HG2 ARG 41 1.501 8.962 -19.650
336 HG3 ARG 41 HG3 ARG 41 1.027 7.307 -20.038
337 HD2 ARG 41 HD2 ARG 41 0.802 8.504 -17.284
338 HD3 ARG 41 HD3 ARG 41 -0.507 8.531 -18.465
339 HE ARG 41 HE ARG 41 0.240 5.900 -18.286
340 HH11 ARG 41 HH11 ARG 41 -0.879 8.333 -16.062
341 HH12 ARG 41 HH12 ARG 41 -1.655 7.198 -15.007
342 HH21 ARG 41 HH21 ARG 41 -0.777 4.396 -16.905
343 HH22 ARG 41 HH22 ARG 41 -1.595 4.959 -15.487
Start of MODEL 17
1 H1 SER 1 H SER 1 14.145 -2.159 -4.178
2 HA SER 1 HA SER 1 12.145 -3.536 -2.507
3 HB2 SER 1 HB2 SER 1 13.140 -1.444 -1.491
4 HB3 SER 1 HB3 SER 1 12.397 -0.538 -2.810
5 HG SER 1 HG SER 1 10.555 -0.674 -1.819
6 H GLU 2 H GLU 2 9.870 -2.671 -2.969
7 HA GLU 2 HA GLU 2 9.539 -2.464 -5.889
8 HB2 GLU 2 HB2 GLU 2 8.660 -4.509 -4.477
9 HB3 GLU 2 HB3 GLU 2 7.339 -3.411 -4.100
10 HG2 GLU 2 HG2 GLU 2 6.972 -3.109 -6.537
11 HG3 GLU 2 HG3 GLU 2 8.195 -4.344 -6.829
12 H LYS 3 H LYS 3 9.168 -0.399 -6.390
13 HA LYS 3 HA LYS 3 8.192 1.653 -6.479
14 HB2 LYS 3 HB2 LYS 3 6.134 0.020 -6.330
15 HB3 LYS 3 HB3 LYS 3 5.947 0.727 -4.731
16 HG2 LYS 3 HG2 LYS 3 5.925 2.977 -5.822
17 HG3 LYS 3 HG3 LYS 3 5.880 2.149 -7.380
18 HD2 LYS 3 HD2 LYS 3 3.870 1.550 -5.233
19 HD3 LYS 3 HD3 LYS 3 3.653 2.906 -6.341
20 HE2 LYS 3 HE2 LYS 3 3.964 1.251 -8.224
21 HE3 LYS 3 HE3 LYS 3 3.850 -0.022 -7.011
22 HZ1 LYS 3 HZ1 LYS 3 1.741 0.717 -8.267
23 HZ2 LYS 3 HZ2 LYS 3 1.743 2.026 -7.196
24 HZ3 LYS 3 HZ3 LYS 3 1.647 0.446 -6.600
25 HA PRO 4 HA PRO 4 9.813 2.572 -2.231
26 HB2 PRO 4 HB2 PRO 4 11.714 4.312 -3.083
27 HB3 PRO 4 HB3 PRO 4 11.983 2.568 -2.986
28 HG2 PRO 4 HG2 PRO 4 11.296 4.249 -5.366
29 HG3 PRO 4 HG3 PRO 4 12.472 2.929 -5.231
30 HD2 PRO 4 HD2 PRO 4 10.018 2.588 -6.324
31 HD3 PRO 4 HD3 PRO 4 10.855 1.299 -5.435
32 H GLN 5 H GLN 5 7.552 3.568 -2.344
33 HA GLN 5 HA GLN 5 7.284 6.259 -3.244
34 HB2 GLN 5 HB2 GLN 5 5.616 4.364 -1.654
35 HB3 GLN 5 HB3 GLN 5 5.223 6.077 -1.591
36 HG2 GLN 5 HG2 GLN 5 4.835 6.160 -3.932
37 HG3 GLN 5 HG3 GLN 5 5.496 4.542 -4.159
38 HE21 GLN 5 HE21 GLN 5 4.325 2.963 -2.469
39 HE22 GLN 5 HE22 GLN 5 2.604 2.987 -2.610
40 H GLN 6 H GLN 6 8.658 4.837 -0.477
41 HA GLN 6 HA GLN 6 8.157 6.686 1.529
42 HB2 GLN 6 HB2 GLN 6 9.437 4.470 1.655
43 HB3 GLN 6 HB3 GLN 6 10.845 5.387 1.133
44 HG2 GLN 6 HG2 GLN 6 11.032 5.326 3.446
45 HG3 GLN 6 HG3 GLN 6 10.358 6.921 3.114
46 HE21 GLN 6 HE21 GLN 6 10.207 5.557 5.584
47 HE22 GLN 6 HE22 GLN 6 8.541 5.246 5.916
48 H GLU 7 H GLU 7 10.181 6.942 -1.279
49 HA GLU 7 HA GLU 7 11.720 9.170 -0.354
50 HB2 GLU 7 HB2 GLU 7 11.554 7.535 -2.753
51 HB3 GLU 7 HB3 GLU 7 11.762 9.238 -3.135
52 HG2 GLU 7 HG2 GLU 7 13.935 8.550 -2.991
53 HG3 GLU 7 HG3 GLU 7 13.654 9.117 -1.346
54 H LEU 8 H LEU 8 8.820 8.769 -2.328
55 HA LEU 8 HA LEU 8 8.496 11.367 -3.240
56 HB2 LEU 8 HB2 LEU 8 7.134 9.394 -3.898
57 HB3 LEU 8 HB3 LEU 8 6.298 9.506 -2.351
58 HG LEU 8 HG LEU 8 5.503 11.773 -3.023
59 HD11 LEU 8 HD11 LEU 8 6.433 11.031 -5.783
60 HD12 LEU 8 HD12 LEU 8 7.354 12.089 -4.714
61 HD13 LEU 8 HD13 LEU 8 5.736 12.556 -5.236
62 HD21 LEU 8 HD21 LEU 8 3.932 10.860 -4.826
63 HD22 LEU 8 HD22 LEU 8 3.925 10.065 -3.252
64 HD23 LEU 8 HD23 LEU 8 4.781 9.329 -4.608
65 H GLU 9 H GLU 9 7.335 9.924 -0.206
66 HA GLU 9 HA GLU 9 5.944 12.071 0.828
67 HB2 GLU 9 HB2 GLU 9 7.640 10.027 2.268
68 HB3 GLU 9 HB3 GLU 9 6.550 11.143 3.080
69 HG2 GLU 9 HG2 GLU 9 4.655 10.180 1.908
70 HG3 GLU 9 HG3 GLU 9 5.732 9.091 1.035
71 H GLU 10 H GLU 10 9.406 11.535 0.696
72 HA GLU 10 HA GLU 10 10.094 13.680 2.451
73 HB2 GLU 10 HB2 GLU 10 11.754 12.233 0.380
74 HB3 GLU 10 HB3 GLU 10 12.388 13.345 1.585
75 HG2 GLU 10 HG2 GLU 10 11.386 11.796 3.326
76 HG3 GLU 10 HG3 GLU 10 11.164 10.641 2.013
77 H CYS 11 H CYS 11 10.006 13.295 -1.075
78 HA CYS 11 HA CYS 11 10.985 15.830 -1.751
79 HB2 CYS 11 HB2 CYS 11 10.483 13.730 -3.229
80 HB3 CYS 11 HB3 CYS 11 8.897 14.470 -3.418
81 H GLN 12 H GLN 12 7.648 14.703 -1.292
82 HA GLN 12 HA GLN 12 6.393 17.145 -1.900
83 HB2 GLN 12 HB2 GLN 12 5.410 14.978 -0.037
84 HB3 GLN 12 HB3 GLN 12 4.425 16.212 -0.811
85 HG2 GLN 12 HG2 GLN 12 5.950 14.720 -2.753
86 HG3 GLN 12 HG3 GLN 12 4.964 13.657 -1.751
87 HE21 GLN 12 HE21 GLN 12 4.858 14.748 -4.615
88 HE22 GLN 12 HE22 GLN 12 3.214 15.246 -4.791
89 H ASN 13 H ASN 13 7.368 15.735 1.214
90 HA ASN 13 HA ASN 13 6.406 17.708 2.904
91 HB2 ASN 13 HB2 ASN 13 7.564 15.447 3.444
92 HB3 ASN 13 HB3 ASN 13 9.056 16.382 3.409
93 HD21 ASN 13 HD21 ASN 13 9.694 16.862 5.370
94 HD22 ASN 13 HD22 ASN 13 8.681 17.329 6.690
95 H VAL 14 H VAL 14 9.369 17.626 1.007
96 HA VAL 14 HA VAL 14 10.550 19.938 2.157
97 HB VAL 14 HB VAL 14 11.019 18.714 -0.566
98 HG11 VAL 14 HG11 VAL 14 11.852 20.946 -0.579
99 HG12 VAL 14 HG12 VAL 14 12.579 20.748 1.017
100 HG13 VAL 14 HG13 VAL 14 13.234 19.871 -0.367
101 HG21 VAL 14 HG21 VAL 14 13.082 18.310 1.421
102 HG22 VAL 14 HG22 VAL 14 11.536 17.645 1.948
103 HG23 VAL 14 HG23 VAL 14 12.240 17.130 0.416
104 H CYS 15 H CYS 15 8.544 19.400 -0.712
105 HA CYS 15 HA CYS 15 8.664 21.976 -1.784
106 HB2 CYS 15 HB2 CYS 15 6.394 19.978 -1.872
107 HB3 CYS 15 HB3 CYS 15 6.522 21.402 -2.899
108 H ARG 16 H ARG 16 6.443 20.592 0.606
109 HA ARG 16 HA ARG 16 4.795 22.866 0.868
110 HB2 ARG 16 HB2 ARG 16 5.374 20.700 2.897
111 HB3 ARG 16 HB3 ARG 16 4.030 21.831 2.960
112 HG2 ARG 16 HG2 ARG 16 2.847 20.732 1.372
113 HG3 ARG 16 HG3 ARG 16 4.291 20.204 0.506
114 HD2 ARG 16 HD2 ARG 16 4.705 18.696 2.549
115 HD3 ARG 16 HD3 ARG 16 3.018 19.018 2.948
116 HE ARG 16 HE ARG 16 3.439 18.097 0.252
117 HH11 ARG 16 HH11 ARG 16 2.881 17.166 3.560
118 HH12 ARG 16 HH12 ARG 16 2.214 15.621 3.149
119 HH21 ARG 16 HH21 ARG 16 2.563 16.066 -0.302
120 HH22 ARG 16 HH22 ARG 16 2.034 14.996 0.952
121 H MET 17 H MET 17 7.958 22.183 1.989
122 HA MET 17 HA MET 17 7.875 24.103 4.158
123 HB2 MET 17 HB2 MET 17 9.892 22.198 3.068
124 HB3 MET 17 HB3 MET 17 10.474 23.579 3.987
125 HG2 MET 17 HG2 MET 17 8.566 22.718 5.653
126 HG3 MET 17 HG3 MET 17 8.990 21.193 4.877
127 HE1 MET 17 HE1 MET 17 10.327 24.099 7.301
128 HE2 MET 17 HE2 MET 17 9.270 22.799 7.852
129 HE3 MET 17 HE3 MET 17 10.943 22.872 8.408
130 H LYS 18 H LYS 18 8.045 24.343 0.882
131 HA LYS 18 HA LYS 18 10.081 26.335 0.605
132 HB2 LYS 18 HB2 LYS 18 7.797 25.612 -1.242
133 HB3 LYS 18 HB3 LYS 18 9.166 26.633 -1.664
134 HG2 LYS 18 HG2 LYS 18 9.250 23.707 -0.963
135 HG3 LYS 18 HG3 LYS 18 9.502 24.428 -2.555
136 HD2 LYS 18 HD2 LYS 18 11.237 24.878 -0.126
137 HD3 LYS 18 HD3 LYS 18 11.622 23.812 -1.479
138 HE2 LYS 18 HE2 LYS 18 11.404 25.847 -2.968
139 HE3 LYS 18 HE3 LYS 18 11.361 26.811 -1.492
140 HZ1 LYS 18 HZ1 LYS 18 13.599 25.962 -2.842
141 HZ2 LYS 18 HZ2 LYS 18 13.539 24.984 -1.463
142 HZ3 LYS 18 HZ3 LYS 18 13.553 26.669 -1.305
143 H ARG 19 H ARG 19 9.920 28.329 1.372
144 HA ARG 19 HA ARG 19 7.310 29.493 1.904
145 HB2 ARG 19 HB2 ARG 19 10.133 30.256 2.596
146 HB3 ARG 19 HB3 ARG 19 8.816 31.405 2.792
147 HG2 ARG 19 HG2 ARG 19 7.838 30.204 4.495
148 HG3 ARG 19 HG3 ARG 19 8.587 28.686 3.995
149 HD2 ARG 19 HD2 ARG 19 9.699 29.338 5.972
150 HD3 ARG 19 HD3 ARG 19 10.801 29.715 4.650
151 HE ARG 19 HE ARG 19 10.620 31.935 5.178
152 HH11 ARG 19 HH11 ARG 19 8.050 30.176 6.735
153 HH12 ARG 19 HH12 ARG 19 7.518 31.529 7.676
154 HH21 ARG 19 HH21 ARG 19 9.928 33.724 6.412
155 HH22 ARG 19 HH22 ARG 19 8.586 33.547 7.492
156 H TRP 20 H TRP 20 7.516 29.215 -0.752
157 HA TRP 20 HA TRP 20 8.332 31.837 -1.798
158 HB2 TRP 20 HB2 TRP 20 8.076 29.119 -3.007
159 HB3 TRP 20 HB3 TRP 20 7.827 30.522 -4.043
160 HD1 TRP 20 HD1 TRP 20 10.511 29.894 -1.301
161 HE1 TRP 20 HE1 TRP 20 12.822 30.309 -2.356
162 HE3 TRP 20 HE3 TRP 20 9.046 30.920 -6.091
163 HZ2 TRP 20 HZ2 TRP 20 13.884 30.984 -4.883
164 HZ3 TRP 20 HZ3 TRP 20 10.771 31.441 -7.766
165 HH2 TRP 20 HH2 TRP 20 13.139 31.472 -7.172
166 H SER 21 H SER 21 5.769 29.457 -2.513
167 HA SER 21 HA SER 21 3.622 31.177 -1.949
168 HB2 SER 21 HB2 SER 21 2.865 31.671 -4.264
169 HB3 SER 21 HB3 SER 21 4.384 32.472 -3.864
170 HG SER 21 HG SER 21 4.734 31.568 -5.819
171 H THR 22 H THR 22 1.562 30.245 -2.468
172 HA THR 22 HA THR 22 1.380 27.517 -2.120
173 HB THR 22 HB THR 22 -0.545 28.880 -1.700
174 HG1 THR 22 HG1 THR 22 -2.032 27.522 -2.559
175 HG21 THR 22 HG21 THR 22 -1.759 30.069 -3.395
176 HG22 THR 22 HG22 THR 22 -0.731 29.406 -4.666
177 HG23 THR 22 HG23 THR 22 -0.066 30.550 -3.500
178 H GLU 23 H GLU 23 1.353 29.351 -5.149
179 HA GLU 23 HA GLU 23 0.770 27.241 -6.889
180 HB2 GLU 23 HB2 GLU 23 2.138 29.881 -7.179
181 HB3 GLU 23 HB3 GLU 23 2.231 28.732 -8.507
182 HG2 GLU 23 HG2 GLU 23 -0.313 28.603 -8.338
183 HG3 GLU 23 HG3 GLU 23 -0.192 30.056 -7.346
184 H MET 24 H MET 24 3.889 28.448 -5.706
185 HA MET 24 HA MET 24 5.496 26.682 -7.211
186 HB2 MET 24 HB2 MET 24 5.903 28.429 -4.833
187 HB3 MET 24 HB3 MET 24 7.106 27.186 -5.151
188 HG2 MET 24 HG2 MET 24 6.244 29.075 -7.304
189 HG3 MET 24 HG3 MET 24 7.460 29.540 -6.116
190 HE1 MET 24 HE1 MET 24 9.076 28.525 -9.724
191 HE2 MET 24 HE2 MET 24 7.516 29.260 -9.356
192 HE3 MET 24 HE3 MET 24 8.984 29.883 -8.602
193 H VAL 25 H VAL 25 4.049 26.449 -4.000
194 HA VAL 25 HA VAL 25 5.333 24.060 -3.212
195 HB VAL 25 HB VAL 25 2.657 25.153 -2.333
196 HG11 VAL 25 HG11 VAL 25 2.822 22.813 -1.781
197 HG12 VAL 25 HG12 VAL 25 4.433 23.050 -1.103
198 HG13 VAL 25 HG13 VAL 25 3.029 23.770 -0.315
199 HG21 VAL 25 HG21 VAL 25 5.280 25.378 -0.885
200 HG22 VAL 25 HG22 VAL 25 4.729 26.601 -2.029
201 HG23 VAL 25 HG23 VAL 25 3.780 26.255 -0.583
202 H HIS 26 H HIS 26 2.109 24.639 -4.611
203 HA HIS 26 HA HIS 26 1.337 21.941 -4.751
204 HB2 HIS 26 HB2 HIS 26 -0.009 24.188 -5.111
205 HB3 HIS 26 HB3 HIS 26 0.379 23.891 -6.803
206 HD1 HIS 26 HD1 HIS 26 -1.712 23.017 -7.802
207 HD2 HIS 26 HD2 HIS 26 -0.901 21.270 -4.121
208 HE1 HIS 26 HE1 HIS 26 -3.477 21.253 -7.492
209 H ARG 27 H ARG 27 2.751 24.068 -7.230
210 HA ARG 27 HA ARG 27 2.846 22.222 -9.312
211 HB2 ARG 27 HB2 ARG 27 3.272 24.632 -9.591
212 HB3 ARG 27 HB3 ARG 27 4.793 24.460 -8.727
213 HG2 ARG 27 HG2 ARG 27 5.150 22.623 -10.655
214 HG3 ARG 27 HG3 ARG 27 4.098 23.761 -11.500
215 HD2 ARG 27 HD2 ARG 27 5.853 25.456 -10.320
216 HD3 ARG 27 HD3 ARG 27 6.885 24.056 -10.606
217 HE ARG 27 HE ARG 27 6.884 24.600 -12.816
218 HH11 ARG 27 HH11 ARG 27 4.061 26.002 -11.339
219 HH12 ARG 27 HH12 ARG 27 3.556 26.825 -12.778
220 HH21 ARG 27 HH21 ARG 27 6.231 25.679 -14.716
221 HH22 ARG 27 HH22 ARG 27 4.791 26.640 -14.698
222 H CYS 28 H CYS 28 5.199 22.881 -6.749
223 HA CYS 28 HA CYS 28 7.229 21.172 -7.664
224 HB2 CYS 28 HB2 CYS 28 7.608 22.860 -5.931
225 HB3 CYS 28 HB3 CYS 28 6.549 21.984 -4.830
226 H GLU 29 H GLU 29 4.619 20.598 -5.314
227 HA GLU 29 HA GLU 29 5.228 17.992 -4.614
228 HB2 GLU 29 HB2 GLU 29 2.589 19.423 -4.857
229 HB3 GLU 29 HB3 GLU 29 2.697 17.766 -4.279
230 HG2 GLU 29 HG2 GLU 29 4.442 18.765 -2.617
231 HG3 GLU 29 HG3 GLU 29 3.634 20.285 -2.996
232 H LYS 30 H LYS 30 2.955 19.028 -7.161
233 HA LYS 30 HA LYS 30 2.363 16.517 -8.185
234 HB2 LYS 30 HB2 LYS 30 2.477 19.222 -9.513
235 HB3 LYS 30 HB3 LYS 30 1.911 17.782 -10.349
236 HG2 LYS 30 HG2 LYS 30 0.303 17.561 -8.318
237 HG3 LYS 30 HG3 LYS 30 0.659 19.275 -8.090
238 HD2 LYS 30 HD2 LYS 30 -0.255 18.141 -10.724
239 HD3 LYS 30 HD3 LYS 30 -1.381 18.720 -9.494
240 HE2 LYS 30 HE2 LYS 30 -1.136 20.618 -10.749
241 HE3 LYS 30 HE3 LYS 30 0.152 20.856 -9.569
242 HZ1 LYS 30 HZ1 LYS 30 0.831 19.415 -12.015
243 HZ2 LYS 30 HZ2 LYS 30 1.756 20.503 -11.109
244 HZ3 LYS 30 HZ3 LYS 30 0.558 21.079 -12.155
245 H LYS 31 H LYS 31 5.072 18.658 -8.888
246 HA LYS 31 HA LYS 31 6.110 17.247 -11.091
247 HB2 LYS 31 HB2 LYS 31 7.147 19.265 -9.170
248 HB3 LYS 31 HB3 LYS 31 8.336 18.344 -10.082
249 HG2 LYS 31 HG2 LYS 31 6.758 19.037 -12.101
250 HG3 LYS 31 HG3 LYS 31 6.386 20.371 -11.005
251 HD2 LYS 31 HD2 LYS 31 8.500 21.232 -11.118
252 HD3 LYS 31 HD3 LYS 31 9.243 19.657 -11.405
253 HE2 LYS 31 HE2 LYS 31 7.469 20.892 -13.474
254 HE3 LYS 31 HE3 LYS 31 9.148 21.407 -13.325
255 HZ1 LYS 31 HZ1 LYS 31 8.069 18.809 -14.160
256 HZ2 LYS 31 HZ2 LYS 31 9.576 18.851 -13.395
257 HZ3 LYS 31 HZ3 LYS 31 9.332 19.714 -14.829
258 H CYS 32 H CYS 32 6.808 17.023 -7.619
259 HA CYS 32 HA CYS 32 8.842 15.097 -7.788
260 HB2 CYS 32 HB2 CYS 32 6.910 15.847 -5.603
261 HB3 CYS 32 HB3 CYS 32 8.098 14.566 -5.384
262 H GLU 33 H GLU 33 5.341 14.802 -7.679
263 HA GLU 33 HA GLU 33 5.344 11.955 -7.365
264 HB2 GLU 33 HB2 GLU 33 3.329 12.694 -6.633
265 HB3 GLU 33 HB3 GLU 33 3.329 14.081 -7.713
266 HG2 GLU 33 HG2 GLU 33 1.517 12.553 -8.236
267 HG3 GLU 33 HG3 GLU 33 2.666 12.658 -9.569
268 H GLU 34 H GLU 34 4.844 14.174 -10.088
269 HA GLU 34 HA GLU 34 4.280 12.239 -12.035
270 HB2 GLU 34 HB2 GLU 34 5.400 15.025 -12.170
271 HB3 GLU 34 HB3 GLU 34 5.220 14.051 -13.623
272 HG2 GLU 34 HG2 GLU 34 2.769 13.833 -12.356
273 HG3 GLU 34 HG3 GLU 34 3.236 15.516 -12.118
274 H LYS 35 H LYS 35 7.366 13.791 -11.181
275 HA LYS 35 HA LYS 35 8.935 12.342 -13.027
276 HB2 LYS 35 HB2 LYS 35 9.351 14.383 -11.137
277 HB3 LYS 35 HB3 LYS 35 10.431 13.075 -10.672
278 HG2 LYS 35 HG2 LYS 35 10.336 13.922 -13.525
279 HG3 LYS 35 HG3 LYS 35 11.203 14.920 -12.355
280 HD2 LYS 35 HD2 LYS 35 12.440 12.844 -11.659
281 HD3 LYS 35 HD3 LYS 35 11.700 12.026 -13.037
282 HE2 LYS 35 HE2 LYS 35 13.719 12.705 -13.921
283 HE3 LYS 35 HE3 LYS 35 12.659 14.032 -14.392
284 HZ1 LYS 35 HZ1 LYS 35 14.873 14.657 -13.396
285 HZ2 LYS 35 HZ2 LYS 35 14.275 14.106 -11.913
286 HZ3 LYS 35 HZ3 LYS 35 13.516 15.394 -12.705
287 H PHE 36 H PHE 36 7.451 11.410 -10.127
288 HA PHE 36 HA PHE 36 9.341 9.422 -9.314
289 HB2 PHE 36 HB2 PHE 36 7.160 10.619 -8.135
290 HB3 PHE 36 HB3 PHE 36 6.565 8.998 -8.476
291 HD1 PHE 36 HD1 PHE 36 8.955 10.986 -6.561
292 HD2 PHE 36 HD2 PHE 36 7.516 7.065 -7.380
293 HE1 PHE 36 HE1 PHE 36 10.114 10.146 -4.560
294 HE2 PHE 36 HE2 PHE 36 8.673 6.219 -5.380
295 HZ PHE 36 HZ PHE 36 9.973 7.760 -3.967
296 H GLU 37 H GLU 37 6.680 9.551 -11.535
297 HA GLU 37 HA GLU 37 5.992 6.862 -11.729
298 HB2 GLU 37 HB2 GLU 37 5.948 9.135 -13.690
299 HB3 GLU 37 HB3 GLU 37 5.494 7.514 -14.197
300 HG2 GLU 37 HG2 GLU 37 3.686 7.450 -12.654
301 HG3 GLU 37 HG3 GLU 37 4.222 8.938 -11.877
302 H ARG 38 H ARG 38 6.476 5.414 -13.615
303 HA ARG 38 HA ARG 38 8.004 4.021 -14.581
304 HB2 ARG 38 HB2 ARG 38 8.918 6.747 -15.476
305 HB3 ARG 38 HB3 ARG 38 9.701 5.277 -16.041
306 HG2 ARG 38 HG2 ARG 38 7.925 4.654 -17.324
307 HG3 ARG 38 HG3 ARG 38 6.750 5.463 -16.285
308 HD2 ARG 38 HD2 ARG 38 8.735 7.056 -17.859
309 HD3 ARG 38 HD3 ARG 38 7.272 6.443 -18.630
310 HE ARG 38 HE ARG 38 6.309 7.673 -16.437
311 HH11 ARG 38 HH11 ARG 38 8.523 8.683 -18.928
312 HH12 ARG 38 HH12 ARG 38 8.083 10.355 -18.823
313 HH21 ARG 38 HH21 ARG 38 5.722 9.873 -16.289
314 HH22 ARG 38 HH22 ARG 38 6.490 11.031 -17.321
315 H GLN 39 H GLN 39 8.539 4.570 -11.864
316 HA GLN 39 HA GLN 39 11.304 5.183 -11.487
317 HB2 GLN 39 HB2 GLN 39 9.078 4.980 -9.844
318 HB3 GLN 39 HB3 GLN 39 10.081 3.621 -9.354
319 HG2 GLN 39 HG2 GLN 39 10.885 6.520 -9.423
320 HG3 GLN 39 HG3 GLN 39 10.577 5.538 -7.992
321 HE21 GLN 39 HE21 GLN 39 12.921 6.745 -9.982
322 HE22 GLN 39 HE22 GLN 39 14.216 5.679 -9.570
323 H GLN 40 H GLN 40 9.481 2.151 -11.006
324 HA GLN 40 HA GLN 40 11.871 0.581 -10.908
325 HB2 GLN 40 HB2 GLN 40 10.484 -1.258 -10.505
326 HB3 GLN 40 HB3 GLN 40 9.609 0.089 -9.789
327 HG2 GLN 40 HG2 GLN 40 9.066 -1.152 -12.477
328 HG3 GLN 40 HG3 GLN 40 8.113 -1.377 -11.011
329 HE21 GLN 40 HE21 GLN 40 8.219 0.219 -13.851
330 HE22 GLN 40 HE22 GLN 40 7.249 1.594 -13.462
331 H ARG 41 H ARG 41 11.997 -1.435 -12.362
332 HA ARG 41 HA ARG 41 12.220 -0.504 -15.070
333 HB2 ARG 41 HB2 ARG 41 13.092 -2.866 -13.526
334 HB3 ARG 41 HB3 ARG 41 12.784 -3.152 -15.234
335 HG2 ARG 41 HG2 ARG 41 14.582 -0.966 -14.220
336 HG3 ARG 41 HG3 ARG 41 15.148 -2.582 -14.648
337 HD2 ARG 41 HD2 ARG 41 14.356 -2.289 -16.919
338 HD3 ARG 41 HD3 ARG 41 13.679 -0.714 -16.505
339 HE ARG 41 HE ARG 41 16.475 -0.855 -15.960
340 HH11 ARG 41 HH11 ARG 41 14.132 -0.409 -18.496
341 HH12 ARG 41 HH12 ARG 41 15.204 0.503 -19.505
342 HH21 ARG 41 HH21 ARG 41 17.897 0.344 -17.280
343 HH22 ARG 41 HH22 ARG 41 17.346 0.930 -18.813
Start of MODEL 18
1 H1 SER 1 H SER 1 12.367 -1.879 -2.004
2 HA SER 1 HA SER 1 10.360 -3.222 -3.481
3 HB2 SER 1 HB2 SER 1 12.594 -4.133 -2.518
4 HB3 SER 1 HB3 SER 1 11.667 -4.398 -1.041
5 HG SER 1 HG SER 1 11.480 -6.254 -2.198
6 H GLU 2 H GLU 2 10.704 -3.050 0.067
7 HA GLU 2 HA GLU 2 8.082 -3.882 0.615
8 HB2 GLU 2 HB2 GLU 2 10.209 -3.652 2.150
9 HB3 GLU 2 HB3 GLU 2 9.531 -2.067 2.497
10 HG2 GLU 2 HG2 GLU 2 8.853 -3.684 4.167
11 HG3 GLU 2 HG3 GLU 2 7.461 -3.108 3.252
12 H LYS 3 H LYS 3 9.495 -0.624 0.512
13 HA LYS 3 HA LYS 3 6.943 0.485 -0.266
14 HB2 LYS 3 HB2 LYS 3 8.101 0.878 2.447
15 HB3 LYS 3 HB3 LYS 3 7.377 2.276 1.665
16 HG2 LYS 3 HG2 LYS 3 5.406 0.550 1.254
17 HG3 LYS 3 HG3 LYS 3 6.111 -0.198 2.689
18 HD2 LYS 3 HD2 LYS 3 4.554 1.259 3.597
19 HD3 LYS 3 HD3 LYS 3 6.043 2.204 3.667
20 HE2 LYS 3 HE2 LYS 3 4.515 3.715 2.795
21 HE3 LYS 3 HE3 LYS 3 5.311 3.089 1.352
22 HZ1 LYS 3 HZ1 LYS 3 3.448 2.059 0.663
23 HZ2 LYS 3 HZ2 LYS 3 2.675 3.211 1.631
24 HZ3 LYS 3 HZ3 LYS 3 2.943 1.650 2.225
25 HA PRO 4 HA PRO 4 10.691 2.517 -2.094
26 HB2 PRO 4 HB2 PRO 4 9.772 2.437 -4.648
27 HB3 PRO 4 HB3 PRO 4 10.658 1.101 -3.903
28 HG2 PRO 4 HG2 PRO 4 7.708 1.440 -4.281
29 HG3 PRO 4 HG3 PRO 4 8.709 -0.003 -4.526
30 HD2 PRO 4 HD2 PRO 4 7.208 0.368 -2.303
31 HD3 PRO 4 HD3 PRO 4 8.750 -0.511 -2.278
32 H GLN 5 H GLN 5 7.375 3.153 -1.800
33 HA GLN 5 HA GLN 5 7.547 5.767 -3.091
34 HB2 GLN 5 HB2 GLN 5 5.268 4.157 -1.966
35 HB3 GLN 5 HB3 GLN 5 5.078 5.855 -2.379
36 HG2 GLN 5 HG2 GLN 5 5.903 5.255 -4.688
37 HG3 GLN 5 HG3 GLN 5 5.728 3.567 -4.210
38 HE21 GLN 5 HE21 GLN 5 3.658 2.743 -3.808
39 HE22 GLN 5 HE22 GLN 5 2.239 3.526 -4.407
40 H GLN 6 H GLN 6 8.944 5.027 -0.549
41 HA GLN 6 HA GLN 6 7.598 6.595 1.478
42 HB2 GLN 6 HB2 GLN 6 9.904 4.771 1.365
43 HB3 GLN 6 HB3 GLN 6 10.094 6.118 2.478
44 HG2 GLN 6 HG2 GLN 6 7.990 5.496 3.573
45 HG3 GLN 6 HG3 GLN 6 7.840 4.125 2.475
46 HE21 GLN 6 HE21 GLN 6 7.887 2.623 4.128
47 HE22 GLN 6 HE22 GLN 6 9.324 2.263 5.016
48 H GLU 7 H GLU 7 10.261 6.943 -0.770
49 HA GLU 7 HA GLU 7 11.339 9.318 0.361
50 HB2 GLU 7 HB2 GLU 7 11.615 7.928 -2.281
51 HB3 GLU 7 HB3 GLU 7 12.277 9.542 -2.066
52 HG2 GLU 7 HG2 GLU 7 13.762 8.814 -0.382
53 HG3 GLU 7 HG3 GLU 7 12.944 7.260 -0.233
54 H LEU 8 H LEU 8 8.654 8.651 -1.702
55 HA LEU 8 HA LEU 8 8.419 11.221 -2.895
56 HB2 LEU 8 HB2 LEU 8 7.370 9.123 -3.745
57 HB3 LEU 8 HB3 LEU 8 6.238 9.203 -2.397
58 HG LEU 8 HG LEU 8 5.345 11.307 -3.269
59 HD11 LEU 8 HD11 LEU 8 6.011 12.133 -5.453
60 HD12 LEU 8 HD12 LEU 8 7.231 10.866 -5.580
61 HD13 LEU 8 HD13 LEU 8 7.387 12.121 -4.350
62 HD21 LEU 8 HD21 LEU 8 4.740 8.858 -4.111
63 HD22 LEU 8 HD22 LEU 8 5.291 9.532 -5.644
64 HD23 LEU 8 HD23 LEU 8 3.965 10.299 -4.768
65 H GLU 9 H GLU 9 7.055 9.729 0.003
66 HA GLU 9 HA GLU 9 5.224 11.694 0.713
67 HB2 GLU 9 HB2 GLU 9 6.918 9.912 2.468
68 HB3 GLU 9 HB3 GLU 9 5.586 10.894 3.062
69 HG2 GLU 9 HG2 GLU 9 4.017 9.667 1.710
70 HG3 GLU 9 HG3 GLU 9 5.326 8.746 0.971
71 H GLU 10 H GLU 10 8.550 11.351 1.967
72 HA GLU 10 HA GLU 10 8.635 13.768 3.346
73 HB2 GLU 10 HB2 GLU 10 11.128 13.557 3.127
74 HB3 GLU 10 HB3 GLU 10 10.321 12.131 3.764
75 HG2 GLU 10 HG2 GLU 10 11.668 11.105 2.276
76 HG3 GLU 10 HG3 GLU 10 10.327 11.465 1.191
77 H CYS 11 H CYS 11 9.551 13.028 0.004
78 HA CYS 11 HA CYS 11 10.630 15.482 -0.717
79 HB2 CYS 11 HB2 CYS 11 10.419 13.241 -2.044
80 HB3 CYS 11 HB3 CYS 11 8.916 13.941 -2.637
81 H GLN 12 H GLN 12 7.256 14.389 -1.055
82 HA GLN 12 HA GLN 12 6.273 16.848 -2.031
83 HB2 GLN 12 HB2 GLN 12 4.752 14.705 -0.539
84 HB3 GLN 12 HB3 GLN 12 4.060 15.948 -1.573
85 HG2 GLN 12 HG2 GLN 12 6.084 14.105 -2.729
86 HG3 GLN 12 HG3 GLN 12 4.454 13.501 -2.438
87 HE21 GLN 12 HE21 GLN 12 2.730 14.370 -3.594
88 HE22 GLN 12 HE22 GLN 12 2.965 15.290 -5.037
89 H ASN 13 H ASN 13 6.193 15.417 1.227
90 HA ASN 13 HA ASN 13 4.826 17.377 2.581
91 HB2 ASN 13 HB2 ASN 13 7.157 15.684 3.490
92 HB3 ASN 13 HB3 ASN 13 6.219 16.700 4.581
93 HD21 ASN 13 HD21 ASN 13 6.238 14.208 5.282
94 HD22 ASN 13 HD22 ASN 13 4.776 13.384 4.872
95 H VAL 14 H VAL 14 8.194 17.370 1.566
96 HA VAL 14 HA VAL 14 8.920 19.737 2.987
97 HB VAL 14 HB VAL 14 10.240 18.375 0.636
98 HG11 VAL 14 HG11 VAL 14 11.065 20.546 0.525
99 HG12 VAL 14 HG12 VAL 14 11.042 20.749 2.278
100 HG13 VAL 14 HG13 VAL 14 12.256 19.715 1.525
101 HG21 VAL 14 HG21 VAL 14 10.005 17.472 3.196
102 HG22 VAL 14 HG22 VAL 14 11.317 17.050 2.095
103 HG23 VAL 14 HG23 VAL 14 11.533 18.350 3.266
104 H CYS 15 H CYS 15 7.947 19.047 -0.350
105 HA CYS 15 HA CYS 15 8.349 21.578 -1.441
106 HB2 CYS 15 HB2 CYS 15 6.329 19.435 -2.109
107 HB3 CYS 15 HB3 CYS 15 6.535 20.895 -3.072
108 H ARG 16 H ARG 16 5.578 20.264 0.313
109 HA ARG 16 HA ARG 16 3.925 22.555 -0.058
110 HB2 ARG 16 HB2 ARG 16 3.747 20.412 2.067
111 HB3 ARG 16 HB3 ARG 16 2.473 21.537 1.616
112 HG2 ARG 16 HG2 ARG 16 1.938 20.396 -0.266
113 HG3 ARG 16 HG3 ARG 16 3.592 19.843 -0.534
114 HD2 ARG 16 HD2 ARG 16 3.235 18.386 1.543
115 HD3 ARG 16 HD3 ARG 16 1.520 18.738 1.336
116 HE ARG 16 HE ARG 16 2.822 17.733 -1.031
117 HH11 ARG 16 HH11 ARG 16 1.127 16.915 1.898
118 HH12 ARG 16 HH12 ARG 16 0.602 15.370 1.317
119 HH21 ARG 16 HH21 ARG 16 2.136 15.701 -1.807
120 HH22 ARG 16 HH22 ARG 16 1.177 14.680 -0.790
121 H MET 17 H MET 17 6.570 21.874 1.972
122 HA MET 17 HA MET 17 5.797 23.861 3.966
123 HB2 MET 17 HB2 MET 17 7.721 21.641 3.838
124 HB3 MET 17 HB3 MET 17 8.324 23.077 4.654
125 HG2 MET 17 HG2 MET 17 5.689 22.558 5.580
126 HG3 MET 17 HG3 MET 17 6.618 21.063 5.657
127 HE1 MET 17 HE1 MET 17 6.873 21.653 9.160
128 HE2 MET 17 HE2 MET 17 5.806 23.005 8.780
129 HE3 MET 17 HE3 MET 17 5.629 21.473 7.922
130 H LYS 18 H LYS 18 6.886 24.123 0.997
131 HA LYS 18 HA LYS 18 9.236 25.727 1.310
132 HB2 LYS 18 HB2 LYS 18 7.355 25.357 -1.027
133 HB3 LYS 18 HB3 LYS 18 8.850 26.281 -1.100
134 HG2 LYS 18 HG2 LYS 18 8.592 23.336 -0.527
135 HG3 LYS 18 HG3 LYS 18 9.187 24.075 -2.016
136 HD2 LYS 18 HD2 LYS 18 10.842 25.246 -0.274
137 HD3 LYS 18 HD3 LYS 18 10.512 23.758 0.616
138 HE2 LYS 18 HE2 LYS 18 12.470 23.447 -0.751
139 HE3 LYS 18 HE3 LYS 18 11.155 22.463 -1.390
140 HZ1 LYS 18 HZ1 LYS 18 11.574 23.419 -3.333
141 HZ2 LYS 18 HZ2 LYS 18 12.606 24.569 -2.646
142 HZ3 LYS 18 HZ3 LYS 18 10.940 24.856 -2.703
143 H ARG 19 H ARG 19 9.335 27.781 1.913
144 HA ARG 19 HA ARG 19 6.879 29.346 2.057
145 HB2 ARG 19 HB2 ARG 19 9.641 29.709 3.203
146 HB3 ARG 19 HB3 ARG 19 8.436 30.988 3.260
147 HG2 ARG 19 HG2 ARG 19 6.949 29.562 4.543
148 HG3 ARG 19 HG3 ARG 19 8.110 28.238 4.442
149 HD2 ARG 19 HD2 ARG 19 9.748 29.593 5.664
150 HD3 ARG 19 HD3 ARG 19 8.575 30.906 5.771
151 HE ARG 19 HE ARG 19 7.530 28.496 6.855
152 HH11 ARG 19 HH11 ARG 19 9.702 31.131 7.532
153 HH12 ARG 19 HH12 ARG 19 9.524 31.008 9.251
154 HH21 ARG 19 HH21 ARG 19 7.287 28.324 9.117
155 HH22 ARG 19 HH22 ARG 19 8.150 29.411 10.152
156 H TRP 20 H TRP 20 7.676 28.928 -0.542
157 HA TRP 20 HA TRP 20 8.930 31.458 -1.357
158 HB2 TRP 20 HB2 TRP 20 8.766 28.745 -2.580
159 HB3 TRP 20 HB3 TRP 20 8.832 30.131 -3.665
160 HD1 TRP 20 HD1 TRP 20 10.943 28.213 -1.122
161 HE1 TRP 20 HE1 TRP 20 13.398 28.943 -1.369
162 HE3 TRP 20 HE3 TRP 20 10.311 32.091 -4.393
163 HZ2 TRP 20 HZ2 TRP 20 14.873 30.904 -2.765
164 HZ3 TRP 20 HZ3 TRP 20 12.295 33.344 -5.134
165 HH2 TRP 20 HH2 TRP 20 14.527 32.761 -4.336
166 H SER 21 H SER 21 6.417 29.282 -2.661
167 HA SER 21 HA SER 21 4.345 31.174 -2.608
168 HB2 SER 21 HB2 SER 21 4.200 31.688 -5.044
169 HB3 SER 21 HB3 SER 21 5.619 32.396 -4.273
170 HG SER 21 HG SER 21 6.445 31.462 -6.037
171 H THR 22 H THR 22 2.390 30.366 -3.466
172 HA THR 22 HA THR 22 1.979 27.647 -3.279
173 HB THR 22 HB THR 22 0.111 29.162 -3.147
174 HG1 THR 22 HG1 THR 22 -1.281 28.095 -4.766
175 HG21 THR 22 HG21 THR 22 -0.718 30.439 -4.993
176 HG22 THR 22 HG22 THR 22 0.432 29.689 -6.100
177 HG23 THR 22 HG23 THR 22 1.004 30.784 -4.841
178 H GLU 23 H GLU 23 2.699 29.572 -6.149
179 HA GLU 23 HA GLU 23 2.259 27.601 -8.087
180 HB2 GLU 23 HB2 GLU 23 3.894 30.097 -7.963
181 HB3 GLU 23 HB3 GLU 23 4.146 28.993 -9.308
182 HG2 GLU 23 HG2 GLU 23 1.569 30.341 -8.541
183 HG3 GLU 23 HG3 GLU 23 2.576 30.694 -9.943
184 H MET 24 H MET 24 5.169 28.414 -6.234
185 HA MET 24 HA MET 24 6.883 26.571 -7.512
186 HB2 MET 24 HB2 MET 24 6.952 28.062 -4.918
187 HB3 MET 24 HB3 MET 24 8.135 26.796 -5.217
188 HG2 MET 24 HG2 MET 24 7.682 29.064 -7.128
189 HG3 MET 24 HG3 MET 24 8.818 29.162 -5.785
190 HE1 MET 24 HE1 MET 24 10.865 28.704 -5.760
191 HE2 MET 24 HE2 MET 24 11.222 26.983 -5.900
192 HE3 MET 24 HE3 MET 24 11.884 28.119 -7.076
193 H VAL 25 H VAL 25 4.719 26.308 -4.750
194 HA VAL 25 HA VAL 25 5.597 23.808 -3.800
195 HB VAL 25 HB VAL 25 2.828 25.006 -3.629
196 HG11 VAL 25 HG11 VAL 25 2.581 23.547 -1.654
197 HG12 VAL 25 HG12 VAL 25 2.785 22.634 -3.150
198 HG13 VAL 25 HG13 VAL 25 4.137 22.808 -2.030
199 HG21 VAL 25 HG21 VAL 25 5.275 25.842 -2.479
200 HG22 VAL 25 HG22 VAL 25 3.653 26.463 -2.170
201 HG23 VAL 25 HG23 VAL 25 4.294 25.143 -1.191
202 H HIS 26 H HIS 26 2.976 24.660 -6.047
203 HA HIS 26 HA HIS 26 2.048 22.063 -6.521
204 HB2 HIS 26 HB2 HIS 26 1.277 24.544 -7.325
205 HB3 HIS 26 HB3 HIS 26 1.965 23.915 -8.819
206 HD1 HIS 26 HD1 HIS 26 -0.102 23.427 -10.137
207 HD2 HIS 26 HD2 HIS 26 -0.252 21.829 -6.305
208 HE1 HIS 26 HE1 HIS 26 -2.176 22.005 -10.082
209 H ARG 27 H ARG 27 4.457 23.992 -8.286
210 HA ARG 27 HA ARG 27 5.030 22.041 -10.241
211 HB2 ARG 27 HB2 ARG 27 6.743 24.297 -9.185
212 HB3 ARG 27 HB3 ARG 27 7.102 23.357 -10.627
213 HG2 ARG 27 HG2 ARG 27 5.140 24.184 -11.728
214 HG3 ARG 27 HG3 ARG 27 4.607 24.997 -10.255
215 HD2 ARG 27 HD2 ARG 27 6.636 26.403 -10.340
216 HD3 ARG 27 HD3 ARG 27 7.081 25.627 -11.859
217 HE ARG 27 HE ARG 27 4.488 26.674 -12.093
218 HH11 ARG 27 HH11 ARG 27 7.790 27.737 -11.804
219 HH12 ARG 27 HH12 ARG 27 7.527 29.216 -12.668
220 HH21 ARG 27 HH21 ARG 27 4.128 28.618 -13.231
221 HH22 ARG 27 HH22 ARG 27 5.443 29.716 -13.478
222 H CYS 28 H CYS 28 6.504 22.772 -7.107
223 HA CYS 28 HA CYS 28 8.668 21.011 -7.253
224 HB2 CYS 28 HB2 CYS 28 8.367 22.756 -5.507
225 HB3 CYS 28 HB3 CYS 28 7.099 21.773 -4.782
226 H GLU 29 H GLU 29 5.407 20.491 -5.931
227 HA GLU 29 HA GLU 29 5.749 17.859 -5.084
228 HB2 GLU 29 HB2 GLU 29 3.303 19.317 -6.079
229 HB3 GLU 29 HB3 GLU 29 3.241 17.686 -5.426
230 HG2 GLU 29 HG2 GLU 29 4.549 18.891 -3.434
231 HG3 GLU 29 HG3 GLU 29 3.638 20.267 -4.053
232 H LYS 30 H LYS 30 4.383 19.015 -8.168
233 HA LYS 30 HA LYS 30 4.001 16.548 -9.377
234 HB2 LYS 30 HB2 LYS 30 4.634 19.261 -10.525
235 HB3 LYS 30 HB3 LYS 30 4.336 17.864 -11.551
236 HG2 LYS 30 HG2 LYS 30 2.141 17.636 -10.213
237 HG3 LYS 30 HG3 LYS 30 2.449 19.307 -9.736
238 HD2 LYS 30 HD2 LYS 30 1.197 19.656 -11.619
239 HD3 LYS 30 HD3 LYS 30 2.811 19.618 -12.332
240 HE2 LYS 30 HE2 LYS 30 1.721 18.173 -13.730
241 HE3 LYS 30 HE3 LYS 30 2.303 17.040 -12.511
242 HZ1 LYS 30 HZ1 LYS 30 0.182 16.984 -11.494
243 HZ2 LYS 30 HZ2 LYS 30 -0.078 16.776 -13.153
244 HZ3 LYS 30 HZ3 LYS 30 -0.393 18.273 -12.429
245 H LYS 31 H LYS 31 6.923 18.421 -8.976
246 HA LYS 31 HA LYS 31 8.510 16.992 -10.852
247 HB2 LYS 31 HB2 LYS 31 8.984 18.975 -8.701
248 HB3 LYS 31 HB3 LYS 31 10.350 17.954 -9.130
249 HG2 LYS 31 HG2 LYS 31 10.447 18.778 -11.300
250 HG3 LYS 31 HG3 LYS 31 8.796 19.401 -11.239
251 HD2 LYS 31 HD2 LYS 31 10.083 21.324 -11.042
252 HD3 LYS 31 HD3 LYS 31 9.697 20.937 -9.363
253 HE2 LYS 31 HE2 LYS 31 11.947 21.317 -9.186
254 HE3 LYS 31 HE3 LYS 31 11.948 19.583 -9.507
255 HZ1 LYS 31 HZ1 LYS 31 12.597 19.914 -11.702
256 HZ2 LYS 31 HZ2 LYS 31 13.531 21.034 -10.845
257 HZ3 LYS 31 HZ3 LYS 31 12.166 21.551 -11.700
258 H CYS 32 H CYS 32 8.205 16.796 -7.311
259 HA CYS 32 HA CYS 32 10.028 14.742 -6.871
260 HB2 CYS 32 HB2 CYS 32 7.539 15.589 -5.404
261 HB3 CYS 32 HB3 CYS 32 8.523 14.242 -4.841
262 H GLU 33 H GLU 33 6.605 14.592 -7.737
263 HA GLU 33 HA GLU 33 6.472 11.734 -7.581
264 HB2 GLU 33 HB2 GLU 33 4.353 12.497 -7.332
265 HB3 GLU 33 HB3 GLU 33 4.648 13.938 -8.294
266 HG2 GLU 33 HG2 GLU 33 2.994 12.505 -9.340
267 HG3 GLU 33 HG3 GLU 33 4.441 12.639 -10.337
268 H GLU 34 H GLU 34 6.682 14.092 -10.227
269 HA GLU 34 HA GLU 34 6.566 12.304 -12.363
270 HB2 GLU 34 HB2 GLU 34 7.752 15.029 -12.000
271 HB3 GLU 34 HB3 GLU 34 8.054 14.147 -13.490
272 HG2 GLU 34 HG2 GLU 34 5.253 14.106 -12.788
273 HG3 GLU 34 HG3 GLU 34 5.871 15.752 -12.911
274 H LYS 35 H LYS 35 9.437 13.636 -10.730
275 HA LYS 35 HA LYS 35 11.314 12.121 -12.195
276 HB2 LYS 35 HB2 LYS 35 11.386 14.104 -10.202
277 HB3 LYS 35 HB3 LYS 35 12.247 12.724 -9.531
278 HG2 LYS 35 HG2 LYS 35 12.848 13.819 -12.261
279 HG3 LYS 35 HG3 LYS 35 13.624 14.428 -10.797
280 HD2 LYS 35 HD2 LYS 35 14.456 12.178 -10.305
281 HD3 LYS 35 HD3 LYS 35 13.676 11.569 -11.767
282 HE2 LYS 35 HE2 LYS 35 15.699 13.791 -11.831
283 HE3 LYS 35 HE3 LYS 35 16.167 12.093 -11.905
284 HZ1 LYS 35 HZ1 LYS 35 14.853 13.746 -13.907
285 HZ2 LYS 35 HZ2 LYS 35 14.320 12.145 -13.795
286 HZ3 LYS 35 HZ3 LYS 35 15.950 12.473 -14.104
287 H PHE 36 H PHE 36 9.132 11.232 -9.763
288 HA PHE 36 HA PHE 36 10.658 9.125 -8.577
289 HB2 PHE 36 HB2 PHE 36 8.303 10.422 -7.949
290 HB3 PHE 36 HB3 PHE 36 7.751 8.826 -8.447
291 HD1 PHE 36 HD1 PHE 36 9.774 10.685 -6.018
292 HD2 PHE 36 HD2 PHE 36 8.231 6.880 -7.139
293 HE1 PHE 36 HE1 PHE 36 10.377 9.793 -3.806
294 HE2 PHE 36 HE2 PHE 36 8.831 5.982 -4.929
295 HZ PHE 36 HZ PHE 36 9.905 7.439 -3.258
296 H GLU 37 H GLU 37 8.164 9.296 -11.086
297 HA GLU 37 HA GLU 37 8.044 6.490 -11.527
298 HB2 GLU 37 HB2 GLU 37 6.150 7.693 -12.225
299 HB3 GLU 37 HB3 GLU 37 7.114 8.890 -13.078
300 HG2 GLU 37 HG2 GLU 37 5.965 7.451 -14.641
301 HG3 GLU 37 HG3 GLU 37 7.708 7.219 -14.757
302 H ARG 38 H ARG 38 9.746 5.365 -12.206
303 HA ARG 38 HA ARG 38 11.908 6.469 -13.666
304 HB2 ARG 38 HB2 ARG 38 11.087 3.700 -12.876
305 HB3 ARG 38 HB3 ARG 38 12.387 3.916 -14.040
306 HG2 ARG 38 HG2 ARG 38 13.636 3.879 -12.161
307 HG3 ARG 38 HG3 ARG 38 13.241 5.599 -12.160
308 HD2 ARG 38 HD2 ARG 38 12.831 4.814 -9.964
309 HD3 ARG 38 HD3 ARG 38 11.253 5.022 -10.723
310 HE ARG 38 HE ARG 38 12.070 2.378 -11.114
311 HH11 ARG 38 HH11 ARG 38 11.133 4.502 -8.519
312 HH12 ARG 38 HH12 ARG 38 10.499 3.228 -7.531
313 HH21 ARG 38 HH21 ARG 38 11.239 0.692 -9.822
314 HH22 ARG 38 HH22 ARG 38 10.560 1.061 -8.273
315 H GLN 39 H GLN 39 9.589 3.947 -14.673
316 HA GLN 39 HA GLN 39 10.262 4.108 -17.409
317 HB2 GLN 39 HB2 GLN 39 8.441 2.611 -15.760
318 HB3 GLN 39 HB3 GLN 39 7.615 3.158 -17.212
319 HG2 GLN 39 HG2 GLN 39 9.515 2.197 -18.536
320 HG3 GLN 39 HG3 GLN 39 10.100 1.479 -17.036
321 HE21 GLN 39 HE21 GLN 39 9.637 -0.592 -16.983
322 HE22 GLN 39 HE22 GLN 39 8.158 -1.323 -17.495
323 H GLN 40 H GLN 40 10.053 5.976 -18.483
324 HA GLN 40 HA GLN 40 7.910 7.817 -17.966
325 HB2 GLN 40 HB2 GLN 40 8.953 9.248 -19.537
326 HB3 GLN 40 HB3 GLN 40 10.261 8.445 -18.678
327 HG2 GLN 40 HG2 GLN 40 10.431 6.839 -20.566
328 HG3 GLN 40 HG3 GLN 40 9.238 7.805 -21.433
329 HE21 GLN 40 HE21 GLN 40 10.824 8.113 -23.066
330 HE22 GLN 40 HE22 GLN 40 12.076 9.286 -22.866
331 H ARG 41 H ARG 41 6.110 8.218 -19.172
332 HA ARG 41 HA ARG 41 5.307 6.123 -21.014
333 HB2 ARG 41 HB2 ARG 41 3.962 7.680 -19.142
334 HB3 ARG 41 HB3 ARG 41 3.423 8.315 -20.690
335 HG2 ARG 41 HG2 ARG 41 3.293 5.431 -19.833
336 HG3 ARG 41 HG3 ARG 41 1.941 6.565 -19.867
337 HD2 ARG 41 HD2 ARG 41 2.347 6.850 -22.317
338 HD3 ARG 41 HD3 ARG 41 3.538 5.553 -22.213
339 HE ARG 41 HE ARG 41 0.995 4.781 -21.165
340 HH11 ARG 41 HH11 ARG 41 2.826 5.189 -24.098
341 HH12 ARG 41 HH12 ARG 41 1.904 4.025 -24.990
342 HH21 ARG 41 HH21 ARG 41 -0.227 3.247 -22.329
343 HH22 ARG 41 HH22 ARG 41 0.167 2.921 -23.983
Start of MODEL 19
1 H1 SER 1 H SER 1 8.188 -3.655 -5.938
2 HA SER 1 HA SER 1 10.764 -4.059 -4.640
3 HB2 SER 1 HB2 SER 1 9.699 -1.350 -5.449
4 HB3 SER 1 HB3 SER 1 10.931 -1.563 -4.204
5 HG SER 1 HG SER 1 12.327 -2.340 -5.710
6 H GLU 2 H GLU 2 10.771 -3.197 -2.399
7 HA GLU 2 HA GLU 2 8.429 -4.003 -1.027
8 HB2 GLU 2 HB2 GLU 2 11.053 -2.820 -0.242
9 HB3 GLU 2 HB3 GLU 2 9.743 -2.793 0.930
10 HG2 GLU 2 HG2 GLU 2 9.583 -5.349 0.219
11 HG3 GLU 2 HG3 GLU 2 11.286 -5.076 -0.143
12 H LYS 3 H LYS 3 9.901 -0.819 -1.581
13 HA LYS 3 HA LYS 3 7.301 0.434 -1.448
14 HB2 LYS 3 HB2 LYS 3 9.319 0.703 0.722
15 HB3 LYS 3 HB3 LYS 3 8.456 2.156 0.235
16 HG2 LYS 3 HG2 LYS 3 6.359 0.577 0.503
17 HG3 LYS 3 HG3 LYS 3 7.452 -0.288 1.586
18 HD2 LYS 3 HD2 LYS 3 7.895 1.963 2.685
19 HD3 LYS 3 HD3 LYS 3 6.507 2.563 1.773
20 HE2 LYS 3 HE2 LYS 3 5.575 1.955 3.811
21 HE3 LYS 3 HE3 LYS 3 5.255 0.552 2.794
22 HZ1 LYS 3 HZ1 LYS 3 7.214 0.847 4.974
23 HZ2 LYS 3 HZ2 LYS 3 7.466 -0.304 3.761
24 HZ3 LYS 3 HZ3 LYS 3 6.076 -0.379 4.722
25 HA PRO 4 HA PRO 4 10.328 2.319 -4.416
26 HB2 PRO 4 HB2 PRO 4 8.607 2.339 -6.516
27 HB3 PRO 4 HB3 PRO 4 9.618 0.945 -6.115
28 HG2 PRO 4 HG2 PRO 4 6.733 1.436 -5.484
29 HG3 PRO 4 HG3 PRO 4 7.516 -0.048 -6.056
30 HD2 PRO 4 HD2 PRO 4 6.865 0.347 -3.458
31 HD3 PRO 4 HD3 PRO 4 8.278 -0.607 -3.954
32 H GLN 5 H GLN 5 7.340 3.109 -3.026
33 HA GLN 5 HA GLN 5 7.186 5.729 -4.300
34 HB2 GLN 5 HB2 GLN 5 5.383 4.274 -2.371
35 HB3 GLN 5 HB3 GLN 5 5.128 5.954 -2.823
36 HG2 GLN 5 HG2 GLN 5 4.991 5.234 -5.195
37 HG3 GLN 5 HG3 GLN 5 5.084 3.561 -4.645
38 HE21 GLN 5 HE21 GLN 5 2.977 3.885 -6.016
39 HE22 GLN 5 HE22 GLN 5 1.549 4.132 -5.075
40 H GLN 6 H GLN 6 9.274 4.756 -2.278
41 HA GLN 6 HA GLN 6 8.845 6.406 0.035
42 HB2 GLN 6 HB2 GLN 6 10.197 4.243 -0.057
43 HB3 GLN 6 HB3 GLN 6 11.464 5.189 -0.827
44 HG2 GLN 6 HG2 GLN 6 11.341 6.720 1.192
45 HG3 GLN 6 HG3 GLN 6 10.370 5.460 1.951
46 HE21 GLN 6 HE21 GLN 6 13.038 6.535 2.607
47 HE22 GLN 6 HE22 GLN 6 14.090 5.165 2.641
48 H GLU 7 H GLU 7 10.370 6.755 -3.063
49 HA GLU 7 HA GLU 7 11.937 9.053 -2.359
50 HB2 GLU 7 HB2 GLU 7 11.620 7.340 -4.645
51 HB3 GLU 7 HB3 GLU 7 11.501 9.020 -5.149
52 HG2 GLU 7 HG2 GLU 7 13.655 9.190 -3.571
53 HG3 GLU 7 HG3 GLU 7 13.805 7.513 -4.094
54 H LEU 8 H LEU 8 8.722 8.474 -3.577
55 HA LEU 8 HA LEU 8 8.197 11.101 -4.507
56 HB2 LEU 8 HB2 LEU 8 6.902 9.071 -5.127
57 HB3 LEU 8 HB3 LEU 8 6.228 9.053 -3.499
58 HG LEU 8 HG LEU 8 5.039 11.091 -3.896
59 HD11 LEU 8 HD11 LEU 8 5.164 12.284 -6.024
60 HD12 LEU 8 HD12 LEU 8 6.422 11.178 -6.574
61 HD13 LEU 8 HD13 LEU 8 6.728 12.254 -5.211
62 HD21 LEU 8 HD21 LEU 8 3.415 10.258 -5.268
63 HD22 LEU 8 HD22 LEU 8 4.336 8.784 -4.965
64 HD23 LEU 8 HD23 LEU 8 4.568 9.677 -6.469
65 H GLU 9 H GLU 9 7.219 9.432 -1.510
66 HA GLU 9 HA GLU 9 5.911 11.469 -0.231
67 HB2 GLU 9 HB2 GLU 9 6.640 10.419 1.901
68 HB3 GLU 9 HB3 GLU 9 6.013 9.263 0.734
69 HG2 GLU 9 HG2 GLU 9 8.215 8.520 0.183
70 HG3 GLU 9 HG3 GLU 9 8.941 9.801 1.152
71 H GLU 10 H GLU 10 9.369 11.042 -0.630
72 HA GLU 10 HA GLU 10 10.121 13.103 1.199
73 HB2 GLU 10 HB2 GLU 10 11.687 11.861 -1.070
74 HB3 GLU 10 HB3 GLU 10 12.358 12.873 0.201
75 HG2 GLU 10 HG2 GLU 10 10.936 10.287 0.754
76 HG3 GLU 10 HG3 GLU 10 12.672 10.390 0.467
77 H CYS 11 H CYS 11 9.825 12.918 -2.334
78 HA CYS 11 HA CYS 11 10.696 15.494 -2.945
79 HB2 CYS 11 HB2 CYS 11 10.065 13.477 -4.488
80 HB3 CYS 11 HB3 CYS 11 8.467 14.215 -4.489
81 H GLN 12 H GLN 12 7.414 14.321 -2.258
82 HA GLN 12 HA GLN 12 6.095 16.773 -2.614
83 HB2 GLN 12 HB2 GLN 12 5.299 14.552 -0.728
84 HB3 GLN 12 HB3 GLN 12 4.244 15.777 -1.420
85 HG2 GLN 12 HG2 GLN 12 5.751 13.809 -3.111
86 HG3 GLN 12 HG3 GLN 12 4.153 13.469 -2.449
87 HE21 GLN 12 HE21 GLN 12 2.375 14.646 -3.192
88 HE22 GLN 12 HE22 GLN 12 2.423 15.527 -4.677
89 H ASN 13 H ASN 13 7.194 15.204 0.393
90 HA ASN 13 HA ASN 13 6.457 17.137 2.206
91 HB2 ASN 13 HB2 ASN 13 7.397 14.972 2.864
92 HB3 ASN 13 HB3 ASN 13 8.974 15.456 2.246
93 HD21 ASN 13 HD21 ASN 13 9.918 15.154 4.266
94 HD22 ASN 13 HD22 ASN 13 9.677 16.270 5.563
95 H VAL 14 H VAL 14 9.433 16.986 0.282
96 HA VAL 14 HA VAL 14 10.691 19.247 1.363
97 HB VAL 14 HB VAL 14 10.919 18.118 -1.430
98 HG11 VAL 14 HG11 VAL 14 11.880 20.197 -1.663
99 HG12 VAL 14 HG12 VAL 14 12.413 20.259 0.018
100 HG13 VAL 14 HG13 VAL 14 13.263 19.236 -1.142
101 HG21 VAL 14 HG21 VAL 14 11.578 16.913 0.939
102 HG22 VAL 14 HG22 VAL 14 12.295 16.543 -0.629
103 HG23 VAL 14 HG23 VAL 14 13.098 17.672 0.463
104 H CYS 15 H CYS 15 8.420 18.906 -1.325
105 HA CYS 15 HA CYS 15 8.552 21.527 -2.299
106 HB2 CYS 15 HB2 CYS 15 6.247 19.568 -2.301
107 HB3 CYS 15 HB3 CYS 15 6.279 21.064 -3.229
108 H ARG 16 H ARG 16 6.444 20.090 0.168
109 HA ARG 16 HA ARG 16 4.957 22.444 0.678
110 HB2 ARG 16 HB2 ARG 16 5.460 20.101 2.521
111 HB3 ARG 16 HB3 ARG 16 4.179 21.293 2.685
112 HG2 ARG 16 HG2 ARG 16 2.909 20.359 1.062
113 HG3 ARG 16 HG3 ARG 16 4.305 19.817 0.128
114 HD2 ARG 16 HD2 ARG 16 4.682 18.163 2.066
115 HD3 ARG 16 HD3 ARG 16 3.019 18.538 2.515
116 HE ARG 16 HE ARG 16 3.361 17.771 -0.241
117 HH11 ARG 16 HH11 ARG 16 2.783 16.669 3.010
118 HH12 ARG 16 HH12 ARG 16 2.029 15.190 2.513
119 HH21 ARG 16 HH21 ARG 16 2.371 15.828 -0.908
120 HH22 ARG 16 HH22 ARG 16 1.796 14.712 0.285
121 H MET 17 H MET 17 8.108 21.451 1.570
122 HA MET 17 HA MET 17 8.251 23.237 3.863
123 HB2 MET 17 HB2 MET 17 9.883 21.050 2.769
124 HB3 MET 17 HB3 MET 17 10.814 22.386 3.433
125 HG2 MET 17 HG2 MET 17 8.672 21.681 5.209
126 HG3 MET 17 HG3 MET 17 9.643 20.265 4.816
127 HE1 MET 17 HE1 MET 17 8.995 23.216 6.553
128 HE2 MET 17 HE2 MET 17 9.883 22.735 8.000
129 HE3 MET 17 HE3 MET 17 10.501 24.033 6.976
130 H LYS 18 H LYS 18 8.236 23.740 0.682
131 HA LYS 18 HA LYS 18 10.554 25.382 0.326
132 HB2 LYS 18 HB2 LYS 18 8.007 25.157 -1.287
133 HB3 LYS 18 HB3 LYS 18 9.421 26.080 -1.780
134 HG2 LYS 18 HG2 LYS 18 9.296 23.103 -1.347
135 HG3 LYS 18 HG3 LYS 18 9.374 23.939 -2.899
136 HD2 LYS 18 HD2 LYS 18 11.489 23.990 -0.745
137 HD3 LYS 18 HD3 LYS 18 11.565 23.073 -2.252
138 HE2 LYS 18 HE2 LYS 18 11.221 25.374 -3.386
139 HE3 LYS 18 HE3 LYS 18 11.715 26.036 -1.828
140 HZ1 LYS 18 HZ1 LYS 18 13.767 25.824 -2.645
141 HZ2 LYS 18 HZ2 LYS 18 13.297 24.745 -3.860
142 HZ3 LYS 18 HZ3 LYS 18 13.607 24.176 -2.297
143 H ARG 19 H ARG 19 10.637 27.649 0.138
144 HA ARG 19 HA ARG 19 8.672 29.018 1.815
145 HB2 ARG 19 HB2 ARG 19 11.435 29.766 0.866
146 HB3 ARG 19 HB3 ARG 19 10.380 30.898 1.701
147 HG2 ARG 19 HG2 ARG 19 10.323 29.438 3.645
148 HG3 ARG 19 HG3 ARG 19 11.345 28.269 2.807
149 HD2 ARG 19 HD2 ARG 19 12.775 29.511 4.226
150 HD3 ARG 19 HD3 ARG 19 13.061 30.102 2.590
151 HE ARG 19 HE ARG 19 11.102 31.624 4.039
152 HH11 ARG 19 HH11 ARG 19 14.498 31.204 3.400
153 HH12 ARG 19 HH12 ARG 19 14.910 32.837 3.806
154 HH21 ARG 19 HH21 ARG 19 11.632 33.777 4.576
155 HH22 ARG 19 HH22 ARG 19 13.279 34.299 4.476
156 H TRP 20 H TRP 20 8.076 28.251 -0.947
157 HA TRP 20 HA TRP 20 7.869 30.886 -2.232
158 HB2 TRP 20 HB2 TRP 20 7.644 28.090 -3.356
159 HB3 TRP 20 HB3 TRP 20 7.264 29.540 -4.281
160 HD1 TRP 20 HD1 TRP 20 10.161 27.433 -3.110
161 HE1 TRP 20 HE1 TRP 20 12.355 28.391 -4.055
162 HE3 TRP 20 HE3 TRP 20 8.389 31.865 -4.940
163 HZ2 TRP 20 HZ2 TRP 20 13.220 30.719 -5.397
164 HZ3 TRP 20 HZ3 TRP 20 9.965 33.401 -6.040
165 HH2 TRP 20 HH2 TRP 20 12.330 32.839 -6.262
166 H SER 21 H SER 21 5.804 31.093 -3.613
167 HA SER 21 HA SER 21 3.594 31.153 -1.883
168 HB2 SER 21 HB2 SER 21 2.300 31.849 -3.833
169 HB3 SER 21 HB3 SER 21 3.867 32.658 -3.833
170 HG SER 21 HG SER 21 3.916 31.902 -5.808
171 H THR 22 H THR 22 1.487 30.098 -2.254
172 HA THR 22 HA THR 22 1.605 27.352 -2.029
173 HB THR 22 HB THR 22 -0.360 28.656 -1.353
174 HG1 THR 22 HG1 THR 22 -0.851 26.530 -1.589
175 HG21 THR 22 HG21 THR 22 -1.619 29.905 -2.745
176 HG22 THR 22 HG22 THR 22 -1.542 28.714 -4.043
177 HG23 THR 22 HG23 THR 22 -0.207 29.840 -3.798
178 H GLU 23 H GLU 23 1.451 29.312 -4.910
179 HA GLU 23 HA GLU 23 0.626 27.348 -6.743
180 HB2 GLU 23 HB2 GLU 23 2.216 29.884 -7.011
181 HB3 GLU 23 HB3 GLU 23 1.946 28.837 -8.398
182 HG2 GLU 23 HG2 GLU 23 -0.301 29.896 -6.714
183 HG3 GLU 23 HG3 GLU 23 0.347 30.771 -8.100
184 H MET 24 H MET 24 3.868 28.354 -5.702
185 HA MET 24 HA MET 24 5.291 26.595 -7.388
186 HB2 MET 24 HB2 MET 24 5.922 28.231 -4.990
187 HB3 MET 24 HB3 MET 24 7.033 26.926 -5.382
188 HG2 MET 24 HG2 MET 24 6.195 28.919 -7.450
189 HG3 MET 24 HG3 MET 24 7.500 29.265 -6.318
190 HE1 MET 24 HE1 MET 24 6.942 28.658 -9.640
191 HE2 MET 24 HE2 MET 24 8.477 29.449 -9.283
192 HE3 MET 24 HE3 MET 24 8.455 27.941 -10.198
193 H VAL 25 H VAL 25 4.095 26.278 -4.075
194 HA VAL 25 HA VAL 25 5.300 23.810 -3.478
195 HB VAL 25 HB VAL 25 2.681 24.887 -2.422
196 HG11 VAL 25 HG11 VAL 25 3.004 22.502 -1.978
197 HG12 VAL 25 HG12 VAL 25 4.576 22.849 -1.256
198 HG13 VAL 25 HG13 VAL 25 3.102 23.453 -0.497
199 HG21 VAL 25 HG21 VAL 25 4.024 26.540 -1.684
200 HG22 VAL 25 HG22 VAL 25 4.489 25.349 -0.469
201 HG23 VAL 25 HG23 VAL 25 5.493 25.588 -1.899
202 H HIS 26 H HIS 26 1.888 24.418 -4.340
203 HA HIS 26 HA HIS 26 1.115 21.785 -4.683
204 HB2 HIS 26 HB2 HIS 26 0.147 24.370 -5.853
205 HB3 HIS 26 HB3 HIS 26 -0.549 22.848 -6.400
206 HD1 HIS 26 HD1 HIS 26 -2.782 23.896 -5.315
207 HD2 HIS 26 HD2 HIS 26 0.213 22.780 -2.661
208 HE1 HIS 26 HE1 HIS 26 -3.897 23.751 -3.065
209 H ARG 27 H ARG 27 2.678 23.965 -6.971
210 HA ARG 27 HA ARG 27 2.461 22.269 -9.230
211 HB2 ARG 27 HB2 ARG 27 4.183 24.627 -8.534
212 HB3 ARG 27 HB3 ARG 27 4.490 23.708 -10.002
213 HG2 ARG 27 HG2 ARG 27 2.230 24.165 -10.780
214 HG3 ARG 27 HG3 ARG 27 1.892 25.055 -9.294
215 HD2 ARG 27 HD2 ARG 27 3.323 26.799 -9.868
216 HD3 ARG 27 HD3 ARG 27 4.198 25.819 -11.044
217 HE ARG 27 HE ARG 27 1.573 26.032 -11.933
218 HH11 ARG 27 HH11 ARG 27 4.298 28.116 -11.339
219 HH12 ARG 27 HH12 ARG 27 3.851 29.266 -12.555
220 HH21 ARG 27 HH21 ARG 27 0.974 27.538 -13.538
221 HH22 ARG 27 HH22 ARG 27 1.959 28.936 -13.805
222 H CYS 28 H CYS 28 5.134 22.870 -6.956
223 HA CYS 28 HA CYS 28 7.038 21.190 -8.031
224 HB2 CYS 28 HB2 CYS 28 7.516 22.682 -6.164
225 HB3 CYS 28 HB3 CYS 28 6.468 21.737 -5.111
226 H GLU 29 H GLU 29 4.380 20.380 -5.838
227 HA GLU 29 HA GLU 29 5.099 17.665 -5.484
228 HB2 GLU 29 HB2 GLU 29 2.526 19.182 -5.107
229 HB3 GLU 29 HB3 GLU 29 2.627 17.450 -4.825
230 HG2 GLU 29 HG2 GLU 29 4.374 17.831 -3.152
231 HG3 GLU 29 HG3 GLU 29 4.240 19.568 -3.422
232 H LYS 30 H LYS 30 2.924 19.310 -7.737
233 HA LYS 30 HA LYS 30 1.757 17.098 -8.945
234 HB2 LYS 30 HB2 LYS 30 2.401 19.865 -9.910
235 HB3 LYS 30 HB3 LYS 30 1.725 18.680 -11.021
236 HG2 LYS 30 HG2 LYS 30 -0.258 18.476 -9.730
237 HG3 LYS 30 HG3 LYS 30 0.438 19.411 -8.403
238 HD2 LYS 30 HD2 LYS 30 -0.893 20.984 -9.451
239 HD3 LYS 30 HD3 LYS 30 0.677 21.278 -10.202
240 HE2 LYS 30 HE2 LYS 30 -1.256 19.362 -11.445
241 HE3 LYS 30 HE3 LYS 30 -1.451 21.098 -11.686
242 HZ1 LYS 30 HZ1 LYS 30 1.203 20.610 -12.164
243 HZ2 LYS 30 HZ2 LYS 30 0.008 20.895 -13.327
244 HZ3 LYS 30 HZ3 LYS 30 0.406 19.309 -12.894
245 H LYS 31 H LYS 31 4.606 18.910 -10.103
246 HA LYS 31 HA LYS 31 5.285 17.244 -12.210
247 HB2 LYS 31 HB2 LYS 31 7.622 18.127 -11.875
248 HB3 LYS 31 HB3 LYS 31 6.371 19.355 -12.016
249 HG2 LYS 31 HG2 LYS 31 6.341 19.543 -9.547
250 HG3 LYS 31 HG3 LYS 31 7.690 18.406 -9.481
251 HD2 LYS 31 HD2 LYS 31 7.696 21.086 -10.872
252 HD3 LYS 31 HD3 LYS 31 8.470 20.718 -9.329
253 HE2 LYS 31 HE2 LYS 31 10.272 20.428 -10.674
254 HE3 LYS 31 HE3 LYS 31 9.590 18.809 -10.817
255 HZ1 LYS 31 HZ1 LYS 31 10.024 20.706 -12.840
256 HZ2 LYS 31 HZ2 LYS 31 8.361 20.418 -12.733
257 HZ3 LYS 31 HZ3 LYS 31 9.428 19.130 -12.987
258 H CYS 32 H CYS 32 6.388 17.100 -8.833
259 HA CYS 32 HA CYS 32 8.144 14.965 -9.044
260 HB2 CYS 32 HB2 CYS 32 6.392 15.927 -6.795
261 HB3 CYS 32 HB3 CYS 32 7.438 14.525 -6.599
262 H GLU 33 H GLU 33 4.651 14.990 -8.931
263 HA GLU 33 HA GLU 33 4.347 12.192 -8.444
264 HB2 GLU 33 HB2 GLU 33 2.396 14.188 -9.605
265 HB3 GLU 33 HB3 GLU 33 1.989 12.567 -9.062
266 HG2 GLU 33 HG2 GLU 33 3.318 13.810 -6.922
267 HG3 GLU 33 HG3 GLU 33 2.169 14.987 -7.557
268 H GLU 34 H GLU 34 3.740 14.164 -11.358
269 HA GLU 34 HA GLU 34 3.300 12.071 -13.126
270 HB2 GLU 34 HB2 GLU 34 3.991 13.690 -14.906
271 HB3 GLU 34 HB3 GLU 34 2.784 14.312 -13.789
272 HG2 GLU 34 HG2 GLU 34 4.599 15.464 -12.553
273 HG3 GLU 34 HG3 GLU 34 5.728 14.932 -13.799
274 H LYS 35 H LYS 35 6.342 13.663 -12.251
275 HA LYS 35 HA LYS 35 7.989 12.244 -14.044
276 HB2 LYS 35 HB2 LYS 35 8.321 14.157 -11.932
277 HB3 LYS 35 HB3 LYS 35 9.498 12.866 -11.730
278 HG2 LYS 35 HG2 LYS 35 9.112 14.217 -14.375
279 HG3 LYS 35 HG3 LYS 35 10.159 14.902 -13.130
280 HD2 LYS 35 HD2 LYS 35 11.507 12.895 -13.105
281 HD3 LYS 35 HD3 LYS 35 10.413 12.109 -14.245
282 HE2 LYS 35 HE2 LYS 35 10.965 13.845 -15.914
283 HE3 LYS 35 HE3 LYS 35 12.115 14.543 -14.775
284 HZ1 LYS 35 HZ1 LYS 35 12.297 12.059 -16.312
285 HZ2 LYS 35 HZ2 LYS 35 13.028 12.099 -14.787
286 HZ3 LYS 35 HZ3 LYS 35 13.491 13.210 -15.977
287 H PHE 36 H PHE 36 6.374 11.244 -11.239
288 HA PHE 36 HA PHE 36 8.247 9.103 -10.628
289 HB2 PHE 36 HB2 PHE 36 6.452 10.553 -9.093
290 HB3 PHE 36 HB3 PHE 36 5.665 8.989 -9.273
291 HD1 PHE 36 HD1 PHE 36 6.658 6.980 -8.347
292 HD2 PHE 36 HD2 PHE 36 8.514 10.780 -7.869
293 HE1 PHE 36 HE1 PHE 36 8.094 6.052 -6.578
294 HE2 PHE 36 HE2 PHE 36 9.954 9.858 -6.100
295 HZ PHE 36 HZ PHE 36 9.745 7.491 -5.453
296 H GLU 37 H GLU 37 5.283 9.625 -12.342
297 HA GLU 37 HA GLU 37 4.181 7.079 -12.380
298 HB2 GLU 37 HB2 GLU 37 3.461 9.401 -13.481
299 HB3 GLU 37 HB3 GLU 37 4.155 8.646 -14.909
300 HG2 GLU 37 HG2 GLU 37 2.563 6.663 -13.861
301 HG3 GLU 37 HG3 GLU 37 1.635 8.132 -13.565
302 H ARG 38 H ARG 38 5.086 5.218 -12.924
303 HA ARG 38 HA ARG 38 6.291 3.633 -14.024
304 HB2 ARG 38 HB2 ARG 38 5.032 4.664 -15.983
305 HB3 ARG 38 HB3 ARG 38 6.498 5.574 -16.322
306 HG2 ARG 38 HG2 ARG 38 6.804 3.796 -17.709
307 HG3 ARG 38 HG3 ARG 38 7.596 3.183 -16.255
308 HD2 ARG 38 HD2 ARG 38 6.149 1.481 -17.186
309 HD3 ARG 38 HD3 ARG 38 5.513 2.028 -15.635
310 HE ARG 38 HE ARG 38 4.349 3.482 -17.772
311 HH11 ARG 38 HH11 ARG 38 4.270 0.390 -16.175
312 HH12 ARG 38 HH12 ARG 38 2.625 0.062 -16.608
313 HH21 ARG 38 HH21 ARG 38 2.182 3.063 -18.347
314 HH22 ARG 38 HH22 ARG 38 1.438 1.583 -17.844
315 H GLN 39 H GLN 39 7.709 5.151 -12.256
316 HA GLN 39 HA GLN 39 10.371 5.025 -13.414
317 HB2 GLN 39 HB2 GLN 39 9.022 7.513 -12.952
318 HB3 GLN 39 HB3 GLN 39 10.384 7.382 -11.848
319 HG2 GLN 39 HG2 GLN 39 10.476 7.158 -14.847
320 HG3 GLN 39 HG3 GLN 39 11.059 8.503 -13.869
321 HE21 GLN 39 HE21 GLN 39 12.438 6.709 -15.770
322 HE22 GLN 39 HE22 GLN 39 13.766 6.042 -14.888
323 H GLN 40 H GLN 40 11.888 4.360 -11.982
324 HA GLN 40 HA GLN 40 11.552 4.644 -9.145
325 HB2 GLN 40 HB2 GLN 40 11.291 2.369 -8.544
326 HB3 GLN 40 HB3 GLN 40 10.079 2.680 -9.778
327 HG2 GLN 40 HG2 GLN 40 11.910 1.784 -11.401
328 HG3 GLN 40 HG3 GLN 40 12.572 1.058 -9.937
329 HE21 GLN 40 HE21 GLN 40 11.595 -0.691 -9.059
330 HE22 GLN 40 HE22 GLN 40 10.220 -1.479 -9.747
331 H ARG 41 H ARG 41 13.340 3.360 -7.975
332 HA ARG 41 HA ARG 41 15.682 2.780 -9.561
333 HB2 ARG 41 HB2 ARG 41 15.344 5.404 -8.789
334 HB3 ARG 41 HB3 ARG 41 16.359 4.753 -7.509
335 HG2 ARG 41 HG2 ARG 41 17.915 3.916 -9.269
336 HG3 ARG 41 HG3 ARG 41 16.941 4.780 -10.460
337 HD2 ARG 41 HD2 ARG 41 17.333 6.860 -9.076
338 HD3 ARG 41 HD3 ARG 41 18.528 5.928 -8.176
339 HE ARG 41 HE ARG 41 19.248 5.619 -10.791
340 HH11 ARG 41 HH11 ARG 41 18.705 8.340 -8.688
341 HH12 ARG 41 HH12 ARG 41 19.850 9.359 -9.496
342 HH21 ARG 41 HH21 ARG 41 20.758 6.951 -11.863
343 HH22 ARG 41 HH22 ARG 41 21.016 8.569 -11.302
Start of MODEL 20
1 H1 SER 1 H SER 1 6.532 -5.414 2.053
2 HA SER 1 HA SER 1 7.219 -5.132 -0.753
3 HB2 SER 1 HB2 SER 1 5.611 -3.254 -0.719
4 HB3 SER 1 HB3 SER 1 4.903 -4.735 -0.074
5 HG SER 1 HG SER 1 4.374 -3.287 1.429
6 H GLU 2 H GLU 2 9.048 -4.160 -1.303
7 HA GLU 2 HA GLU 2 10.677 -2.651 0.375
8 HB2 GLU 2 HB2 GLU 2 11.106 -3.751 -1.981
9 HB3 GLU 2 HB3 GLU 2 10.700 -2.146 -2.572
10 HG2 GLU 2 HG2 GLU 2 12.511 -1.161 -1.406
11 HG3 GLU 2 HG3 GLU 2 12.815 -2.641 -0.497
12 H LYS 3 H LYS 3 7.921 -1.724 -1.506
13 HA LYS 3 HA LYS 3 6.789 0.235 -1.742
14 HB2 LYS 3 HB2 LYS 3 8.221 0.591 0.855
15 HB3 LYS 3 HB3 LYS 3 7.395 1.976 0.154
16 HG2 LYS 3 HG2 LYS 3 5.335 0.522 0.024
17 HG3 LYS 3 HG3 LYS 3 6.209 -0.643 1.021
18 HD2 LYS 3 HD2 LYS 3 6.424 0.959 2.800
19 HD3 LYS 3 HD3 LYS 3 5.742 2.236 1.790
20 HE2 LYS 3 HE2 LYS 3 3.599 1.336 1.888
21 HE3 LYS 3 HE3 LYS 3 4.185 -0.259 2.358
22 HZ1 LYS 3 HZ1 LYS 3 3.514 1.997 3.999
23 HZ2 LYS 3 HZ2 LYS 3 5.026 1.341 4.379
24 HZ3 LYS 3 HZ3 LYS 3 3.646 0.362 4.414
25 HA PRO 4 HA PRO 4 10.453 2.142 -3.855
26 HB2 PRO 4 HB2 PRO 4 9.321 2.138 -6.322
27 HB3 PRO 4 HB3 PRO 4 10.209 0.756 -5.671
28 HG2 PRO 4 HG2 PRO 4 7.255 1.220 -5.795
29 HG3 PRO 4 HG3 PRO 4 8.170 -0.258 -6.141
30 HD2 PRO 4 HD2 PRO 4 6.878 0.139 -3.795
31 HD3 PRO 4 HD3 PRO 4 8.379 -0.802 -3.911
32 H GLN 5 H GLN 5 7.157 2.882 -3.372
33 HA GLN 5 HA GLN 5 7.385 5.534 -4.574
34 HB2 GLN 5 HB2 GLN 5 5.000 5.748 -4.130
35 HB3 GLN 5 HB3 GLN 5 5.331 4.244 -4.980
36 HG2 GLN 5 HG2 GLN 5 5.394 3.242 -2.567
37 HG3 GLN 5 HG3 GLN 5 4.459 4.682 -2.168
38 HE21 GLN 5 HE21 GLN 5 2.516 3.781 -1.785
39 HE22 GLN 5 HE22 GLN 5 1.596 2.906 -2.957
40 H GLN 6 H GLN 6 8.821 4.634 -2.097
41 HA GLN 6 HA GLN 6 7.605 6.193 0.018
42 HB2 GLN 6 HB2 GLN 6 8.728 4.131 0.619
43 HB3 GLN 6 HB3 GLN 6 10.222 4.689 -0.123
44 HG2 GLN 6 HG2 GLN 6 10.693 6.143 1.587
45 HG3 GLN 6 HG3 GLN 6 9.004 6.293 2.068
46 HE21 GLN 6 HE21 GLN 6 9.015 5.690 4.135
47 HE22 GLN 6 HE22 GLN 6 9.612 4.182 4.730
48 H GLU 7 H GLU 7 10.157 6.520 -2.338
49 HA GLU 7 HA GLU 7 11.516 8.702 -1.182
50 HB2 GLU 7 HB2 GLU 7 11.956 7.129 -3.343
51 HB3 GLU 7 HB3 GLU 7 11.381 8.590 -4.132
52 HG2 GLU 7 HG2 GLU 7 13.689 8.844 -4.064
53 HG3 GLU 7 HG3 GLU 7 13.107 9.826 -2.722
54 H LEU 8 H LEU 8 8.635 8.479 -3.154
55 HA LEU 8 HA LEU 8 8.388 11.102 -4.026
56 HB2 LEU 8 HB2 LEU 8 6.935 9.250 -4.729
57 HB3 LEU 8 HB3 LEU 8 6.186 9.245 -3.133
58 HG LEU 8 HG LEU 8 5.269 11.469 -3.546
59 HD11 LEU 8 HD11 LEU 8 5.481 12.566 -5.670
60 HD12 LEU 8 HD12 LEU 8 6.429 11.227 -6.317
61 HD13 LEU 8 HD13 LEU 8 7.096 12.242 -5.037
62 HD21 LEU 8 HD21 LEU 8 3.650 10.007 -4.159
63 HD22 LEU 8 HD22 LEU 8 4.689 9.165 -5.310
64 HD23 LEU 8 HD23 LEU 8 3.960 10.711 -5.747
65 H GLU 9 H GLU 9 7.241 9.653 -0.988
66 HA GLU 9 HA GLU 9 5.960 11.835 0.111
67 HB2 GLU 9 HB2 GLU 9 7.660 9.828 1.600
68 HB3 GLU 9 HB3 GLU 9 6.398 10.835 2.295
69 HG2 GLU 9 HG2 GLU 9 4.855 9.679 0.578
70 HG3 GLU 9 HG3 GLU 9 6.143 8.479 0.477
71 H GLU 10 H GLU 10 9.397 11.148 -0.070
72 HA GLU 10 HA GLU 10 10.206 13.239 1.691
73 HB2 GLU 10 HB2 GLU 10 11.892 11.997 -0.477
74 HB3 GLU 10 HB3 GLU 10 12.435 12.738 1.021
75 HG2 GLU 10 HG2 GLU 10 11.381 10.915 2.285
76 HG3 GLU 10 HG3 GLU 10 10.901 10.162 0.765
77 H CYS 11 H CYS 11 9.960 12.931 -1.829
78 HA CYS 11 HA CYS 11 11.054 15.426 -2.497
79 HB2 CYS 11 HB2 CYS 11 10.401 13.381 -3.992
80 HB3 CYS 11 HB3 CYS 11 8.847 14.199 -4.113
81 H GLN 12 H GLN 12 7.665 14.455 -2.022
82 HA GLN 12 HA GLN 12 6.559 17.005 -2.487
83 HB2 GLN 12 HB2 GLN 12 5.435 14.780 -0.777
84 HB3 GLN 12 HB3 GLN 12 4.531 16.121 -1.469
85 HG2 GLN 12 HG2 GLN 12 5.449 15.187 -3.729
86 HG3 GLN 12 HG3 GLN 12 5.653 13.704 -2.797
87 HE21 GLN 12 HE21 GLN 12 3.616 15.304 -4.782
88 HE22 GLN 12 HE22 GLN 12 2.114 14.592 -4.309
89 H ASN 13 H ASN 13 7.501 15.349 0.507
90 HA ASN 13 HA ASN 13 6.617 17.216 2.352
91 HB2 ASN 13 HB2 ASN 13 7.419 15.145 3.180
92 HB3 ASN 13 HB3 ASN 13 8.978 15.342 2.385
93 HD21 ASN 13 HD21 ASN 13 10.491 16.781 3.260
94 HD22 ASN 13 HD22 ASN 13 10.390 17.310 4.901
95 H VAL 14 H VAL 14 9.565 17.191 0.424
96 HA VAL 14 HA VAL 14 10.776 19.422 1.714
97 HB VAL 14 HB VAL 14 11.283 18.291 -1.042
98 HG11 VAL 14 HG11 VAL 14 12.102 20.560 -0.888
99 HG12 VAL 14 HG12 VAL 14 12.912 20.195 0.637
100 HG13 VAL 14 HG13 VAL 14 13.461 19.436 -0.858
101 HG21 VAL 14 HG21 VAL 14 11.749 17.148 1.452
102 HG22 VAL 14 HG22 VAL 14 12.460 16.659 -0.086
103 HG23 VAL 14 HG23 VAL 14 13.311 17.799 0.956
104 H CYS 15 H CYS 15 8.788 19.034 -1.187
105 HA CYS 15 HA CYS 15 8.984 21.627 -2.193
106 HB2 CYS 15 HB2 CYS 15 6.697 19.654 -2.317
107 HB3 CYS 15 HB3 CYS 15 6.752 21.148 -3.246
108 H ARG 16 H ARG 16 6.760 20.275 0.208
109 HA ARG 16 HA ARG 16 5.182 22.593 0.527
110 HB2 ARG 16 HB2 ARG 16 5.724 20.403 2.540
111 HB3 ARG 16 HB3 ARG 16 4.391 21.548 2.588
112 HG2 ARG 16 HG2 ARG 16 3.216 20.466 0.978
113 HG3 ARG 16 HG3 ARG 16 4.666 19.894 0.149
114 HD2 ARG 16 HD2 ARG 16 5.009 18.400 2.207
115 HD3 ARG 16 HD3 ARG 16 3.330 18.776 2.593
116 HE ARG 16 HE ARG 16 3.742 17.806 -0.089
117 HH11 ARG 16 HH11 ARG 16 3.127 16.942 3.227
118 HH12 ARG 16 HH12 ARG 16 2.415 15.413 2.832
119 HH21 ARG 16 HH21 ARG 16 2.806 15.796 -0.621
120 HH22 ARG 16 HH22 ARG 16 2.234 14.761 0.643
121 H MET 17 H MET 17 8.334 21.784 1.605
122 HA MET 17 HA MET 17 8.322 23.760 3.744
123 HB2 MET 17 HB2 MET 17 10.220 21.651 2.814
124 HB3 MET 17 HB3 MET 17 10.859 23.009 3.732
125 HG2 MET 17 HG2 MET 17 8.844 22.376 5.336
126 HG3 MET 17 HG3 MET 17 9.087 20.799 4.589
127 HE1 MET 17 HE1 MET 17 9.755 23.131 7.103
128 HE2 MET 17 HE2 MET 17 11.097 22.499 8.057
129 HE3 MET 17 HE3 MET 17 11.408 23.627 6.736
130 H LYS 18 H LYS 18 8.278 24.146 0.624
131 HA LYS 18 HA LYS 18 10.633 25.771 0.210
132 HB2 LYS 18 HB2 LYS 18 8.197 25.271 -1.508
133 HB3 LYS 18 HB3 LYS 18 9.570 26.251 -2.005
134 HG2 LYS 18 HG2 LYS 18 9.621 23.315 -1.339
135 HG3 LYS 18 HG3 LYS 18 9.729 24.033 -2.948
136 HD2 LYS 18 HD2 LYS 18 11.745 25.324 -1.682
137 HD3 LYS 18 HD3 LYS 18 11.775 23.769 -0.847
138 HE2 LYS 18 HE2 LYS 18 11.945 24.213 -3.826
139 HE3 LYS 18 HE3 LYS 18 13.266 23.731 -2.762
140 HZ1 LYS 18 HZ1 LYS 18 12.665 21.687 -3.433
141 HZ2 LYS 18 HZ2 LYS 18 11.092 22.147 -3.848
142 HZ3 LYS 18 HZ3 LYS 18 11.481 21.831 -2.233
143 H ARG 19 H ARG 19 10.806 27.860 0.670
144 HA ARG 19 HA ARG 19 8.424 29.325 1.504
145 HB2 ARG 19 HB2 ARG 19 10.841 29.198 2.655
146 HB3 ARG 19 HB3 ARG 19 11.112 30.583 1.607
147 HG2 ARG 19 HG2 ARG 19 10.413 31.415 3.711
148 HG3 ARG 19 HG3 ARG 19 9.061 31.622 2.596
149 HD2 ARG 19 HD2 ARG 19 7.892 29.790 3.521
150 HD3 ARG 19 HD3 ARG 19 9.314 29.230 4.399
151 HE ARG 19 HE ARG 19 8.810 31.739 5.379
152 HH11 ARG 19 HH11 ARG 19 7.031 28.758 5.116
153 HH12 ARG 19 HH12 ARG 19 6.084 29.046 6.538
154 HH21 ARG 19 HH21 ARG 19 7.568 32.130 7.252
155 HH22 ARG 19 HH22 ARG 19 6.389 30.965 7.751
156 H TRP 20 H TRP 20 8.521 28.835 -1.226
157 HA TRP 20 HA TRP 20 9.403 31.354 -2.436
158 HB2 TRP 20 HB2 TRP 20 8.736 28.640 -3.513
159 HB3 TRP 20 HB3 TRP 20 8.627 30.041 -4.575
160 HD1 TRP 20 HD1 TRP 20 11.196 28.003 -2.576
161 HE1 TRP 20 HE1 TRP 20 13.539 28.492 -3.524
162 HE3 TRP 20 HE3 TRP 20 9.984 31.741 -5.845
163 HZ2 TRP 20 HZ2 TRP 20 14.716 30.232 -5.408
164 HZ3 TRP 20 HZ3 TRP 20 11.777 32.766 -7.183
165 HH2 TRP 20 HH2 TRP 20 14.094 32.026 -6.967
166 H SER 21 H SER 21 6.580 29.205 -2.834
167 HA SER 21 HA SER 21 4.654 31.133 -2.160
168 HB2 SER 21 HB2 SER 21 3.749 31.621 -4.429
169 HB3 SER 21 HB3 SER 21 5.354 32.306 -4.169
170 HG SER 21 HG SER 21 5.870 31.264 -5.912
171 H THR 22 H THR 22 2.546 30.321 -2.250
172 HA THR 22 HA THR 22 2.205 27.600 -1.954
173 HB THR 22 HB THR 22 0.543 29.226 -1.185
174 HG1 THR 22 HG1 THR 22 -0.529 27.383 -1.271
175 HG21 THR 22 HG21 THR 22 0.749 30.399 -3.601
176 HG22 THR 22 HG22 THR 22 -0.626 30.633 -2.523
177 HG23 THR 22 HG23 THR 22 -0.727 29.466 -3.841
178 H GLU 23 H GLU 23 2.044 29.540 -4.875
179 HA GLU 23 HA GLU 23 0.862 27.613 -6.558
180 HB2 GLU 23 HB2 GLU 23 2.509 30.070 -7.000
181 HB3 GLU 23 HB3 GLU 23 2.207 28.990 -8.353
182 HG2 GLU 23 HG2 GLU 23 -0.176 29.258 -8.089
183 HG3 GLU 23 HG3 GLU 23 0.068 30.247 -6.651
184 H MET 24 H MET 24 4.254 28.375 -5.854
185 HA MET 24 HA MET 24 5.370 26.504 -7.649
186 HB2 MET 24 HB2 MET 24 6.352 28.105 -5.348
187 HB3 MET 24 HB3 MET 24 7.319 26.715 -5.823
188 HG2 MET 24 HG2 MET 24 6.458 28.863 -7.739
189 HG3 MET 24 HG3 MET 24 7.979 28.900 -6.850
190 HE1 MET 24 HE1 MET 24 10.321 26.772 -8.418
191 HE2 MET 24 HE2 MET 24 10.004 28.365 -9.105
192 HE3 MET 24 HE3 MET 24 9.858 28.110 -7.365
193 H VAL 25 H VAL 25 4.262 26.264 -4.330
194 HA VAL 25 HA VAL 25 5.415 23.776 -3.693
195 HB VAL 25 HB VAL 25 2.800 24.845 -2.631
196 HG11 VAL 25 HG11 VAL 25 4.848 22.990 -1.421
197 HG12 VAL 25 HG12 VAL 25 3.374 23.557 -0.635
198 HG13 VAL 25 HG13 VAL 25 3.273 22.518 -2.057
199 HG21 VAL 25 HG21 VAL 25 5.439 25.943 -2.422
200 HG22 VAL 25 HG22 VAL 25 3.923 26.552 -1.757
201 HG23 VAL 25 HG23 VAL 25 4.890 25.401 -0.836
202 H HIS 26 H HIS 26 2.113 24.555 -4.793
203 HA HIS 26 HA HIS 26 1.168 21.942 -4.986
204 HB2 HIS 26 HB2 HIS 26 0.421 24.520 -6.316
205 HB3 HIS 26 HB3 HIS 26 -0.332 23.020 -6.849
206 HD1 HIS 26 HD1 HIS 26 -1.911 25.331 -5.463
207 HD2 HIS 26 HD2 HIS 26 -0.435 21.954 -3.545
208 HE1 HIS 26 HE1 HIS 26 -3.322 25.060 -3.398
209 H ARG 27 H ARG 27 2.727 23.962 -7.459
210 HA ARG 27 HA ARG 27 2.597 22.068 -9.539
211 HB2 ARG 27 HB2 ARG 27 4.553 24.330 -9.093
212 HB3 ARG 27 HB3 ARG 27 4.388 23.431 -10.595
213 HG2 ARG 27 HG2 ARG 27 2.319 24.355 -11.074
214 HG3 ARG 27 HG3 ARG 27 2.026 24.814 -9.395
215 HD2 ARG 27 HD2 ARG 27 2.512 26.832 -10.475
216 HD3 ARG 27 HD3 ARG 27 4.017 26.393 -9.667
217 HE ARG 27 HE ARG 27 5.009 26.257 -11.714
218 HH11 ARG 27 HH11 ARG 27 1.562 25.995 -12.131
219 HH12 ARG 27 HH12 ARG 27 1.639 26.003 -13.861
220 HH21 ARG 27 HH21 ARG 27 5.123 26.270 -13.992
221 HH22 ARG 27 HH22 ARG 27 3.665 26.159 -14.919
222 H CYS 28 H CYS 28 5.088 22.754 -7.119
223 HA CYS 28 HA CYS 28 7.072 21.035 -8.074
224 HB2 CYS 28 HB2 CYS 28 7.386 22.734 -6.279
225 HB3 CYS 28 HB3 CYS 28 6.481 21.696 -5.182
226 H GLU 29 H GLU 29 4.515 20.422 -5.675
227 HA GLU 29 HA GLU 29 5.158 17.774 -5.099
228 HB2 GLU 29 HB2 GLU 29 2.472 19.156 -5.117
229 HB3 GLU 29 HB3 GLU 29 2.745 17.553 -4.450
230 HG2 GLU 29 HG2 GLU 29 4.618 18.845 -3.096
231 HG3 GLU 29 HG3 GLU 29 3.544 20.207 -3.407
232 H LYS 30 H LYS 30 2.683 18.955 -7.382
233 HA LYS 30 HA LYS 30 1.976 16.497 -8.464
234 HB2 LYS 30 HB2 LYS 30 1.976 19.268 -9.654
235 HB3 LYS 30 HB3 LYS 30 1.332 17.874 -10.512
236 HG2 LYS 30 HG2 LYS 30 -0.083 17.538 -8.356
237 HG3 LYS 30 HG3 LYS 30 0.296 19.238 -8.071
238 HD2 LYS 30 HD2 LYS 30 -1.748 19.257 -9.231
239 HD3 LYS 30 HD3 LYS 30 -0.531 19.650 -10.448
240 HE2 LYS 30 HE2 LYS 30 -0.514 17.095 -10.890
241 HE3 LYS 30 HE3 LYS 30 -2.066 17.110 -10.053
242 HZ1 LYS 30 HZ1 LYS 30 -2.916 18.659 -11.661
243 HZ2 LYS 30 HZ2 LYS 30 -2.284 17.318 -12.475
244 HZ3 LYS 30 HZ3 LYS 30 -1.412 18.768 -12.429
245 H LYS 31 H LYS 31 4.793 18.438 -9.002
246 HA LYS 31 HA LYS 31 5.563 17.207 -11.471
247 HB2 LYS 31 HB2 LYS 31 6.629 19.209 -11.358
248 HB3 LYS 31 HB3 LYS 31 6.704 19.188 -9.601
249 HG2 LYS 31 HG2 LYS 31 8.929 19.114 -10.511
250 HG3 LYS 31 HG3 LYS 31 8.562 17.578 -9.723
251 HD2 LYS 31 HD2 LYS 31 9.488 16.818 -11.676
252 HD3 LYS 31 HD3 LYS 31 7.790 16.904 -12.153
253 HE2 LYS 31 HE2 LYS 31 8.123 18.952 -13.296
254 HE3 LYS 31 HE3 LYS 31 9.721 19.171 -12.584
255 HZ1 LYS 31 HZ1 LYS 31 10.581 17.401 -13.878
256 HZ2 LYS 31 HZ2 LYS 31 9.713 18.393 -14.937
257 HZ3 LYS 31 HZ3 LYS 31 9.044 16.933 -14.408
258 H CYS 32 H CYS 32 6.586 16.866 -8.085
259 HA CYS 32 HA CYS 32 8.550 14.909 -8.508
260 HB2 CYS 32 HB2 CYS 32 6.858 15.627 -6.121
261 HB3 CYS 32 HB3 CYS 32 8.036 14.320 -6.057
262 H GLU 33 H GLU 33 5.071 14.678 -8.109
263 HA GLU 33 HA GLU 33 5.036 11.826 -7.841
264 HB2 GLU 33 HB2 GLU 33 3.101 12.593 -6.940
265 HB3 GLU 33 HB3 GLU 33 3.047 14.000 -7.993
266 HG2 GLU 33 HG2 GLU 33 1.165 12.519 -8.396
267 HG3 GLU 33 HG3 GLU 33 2.207 12.627 -9.814
268 H GLU 34 H GLU 34 4.359 14.102 -10.479
269 HA GLU 34 HA GLU 34 3.617 12.200 -12.403
270 HB2 GLU 34 HB2 GLU 34 4.756 14.978 -12.608
271 HB3 GLU 34 HB3 GLU 34 4.393 14.025 -14.041
272 HG2 GLU 34 HG2 GLU 34 2.224 14.190 -12.070
273 HG3 GLU 34 HG3 GLU 34 2.660 15.712 -12.843
274 H LYS 35 H LYS 35 6.769 13.717 -11.759
275 HA LYS 35 HA LYS 35 8.182 12.320 -13.764
276 HB2 LYS 35 HB2 LYS 35 8.757 14.292 -11.843
277 HB3 LYS 35 HB3 LYS 35 9.858 12.963 -11.505
278 HG2 LYS 35 HG2 LYS 35 9.540 13.970 -14.299
279 HG3 LYS 35 HG3 LYS 35 10.566 14.831 -13.150
280 HD2 LYS 35 HD2 LYS 35 10.852 11.878 -13.615
281 HD3 LYS 35 HD3 LYS 35 11.666 13.060 -14.642
282 HE2 LYS 35 HE2 LYS 35 12.795 13.996 -12.704
283 HE3 LYS 35 HE3 LYS 35 11.938 12.878 -11.643
284 HZ1 LYS 35 HZ1 LYS 35 13.928 12.173 -13.730
285 HZ2 LYS 35 HZ2 LYS 35 13.021 11.041 -12.860
286 HZ3 LYS 35 HZ3 LYS 35 14.123 12.040 -12.054
287 H PHE 36 H PHE 36 6.927 11.307 -10.778
288 HA PHE 36 HA PHE 36 8.853 9.273 -10.195
289 HB2 PHE 36 HB2 PHE 36 6.803 10.456 -8.792
290 HB3 PHE 36 HB3 PHE 36 6.152 8.856 -9.134
291 HD1 PHE 36 HD2 PHE 36 7.216 6.861 -8.235
292 HD2 PHE 36 HD1 PHE 36 8.678 10.753 -7.324
293 HE1 PHE 36 HE2 PHE 36 8.527 5.929 -6.372
294 HE2 PHE 36 HE1 PHE 36 9.991 9.828 -5.461
295 HZ PHE 36 HZ PHE 36 9.916 7.413 -4.982
296 H GLU 37 H GLU 37 5.449 9.064 -11.254
297 HA GLU 37 HA GLU 37 5.490 6.340 -11.874
298 HB2 GLU 37 HB2 GLU 37 3.482 6.833 -13.263
299 HB3 GLU 37 HB3 GLU 37 3.396 7.500 -11.639
300 HG2 GLU 37 HG2 GLU 37 2.582 9.198 -12.999
301 HG3 GLU 37 HG3 GLU 37 4.248 9.671 -12.671
302 H ARG 38 H ARG 38 6.763 9.046 -13.575
303 HA ARG 38 HA ARG 38 6.773 7.932 -16.188
304 HB2 ARG 38 HB2 ARG 38 7.109 10.394 -15.434
305 HB3 ARG 38 HB3 ARG 38 8.794 9.935 -15.230
306 HG2 ARG 38 HG2 ARG 38 8.735 9.140 -17.628
307 HG3 ARG 38 HG3 ARG 38 7.173 9.952 -17.756
308 HD2 ARG 38 HD2 ARG 38 8.235 12.063 -17.079
309 HD3 ARG 38 HD3 ARG 38 9.793 11.241 -16.998
310 HE ARG 38 HE ARG 38 8.712 10.841 -19.548
311 HH11 ARG 38 HH11 ARG 38 9.984 13.412 -17.575
312 HH12 ARG 38 HH12 ARG 38 10.549 14.343 -18.923
313 HH21 ARG 38 HH21 ARG 38 9.451 12.057 -21.330
314 HH22 ARG 38 HH22 ARG 38 10.245 13.572 -21.058
315 H GLN 39 H GLN 39 9.002 7.824 -13.474
316 HA GLN 39 HA GLN 39 10.383 5.590 -14.698
317 HB2 GLN 39 HB2 GLN 39 11.459 8.170 -14.942
318 HB3 GLN 39 HB3 GLN 39 12.385 7.397 -13.662
319 HG2 GLN 39 HG2 GLN 39 13.068 5.641 -15.090
320 HG3 GLN 39 HG3 GLN 39 11.914 6.114 -16.335
321 HE21 GLN 39 HE21 GLN 39 14.191 5.855 -17.392
322 HE22 GLN 39 HE22 GLN 39 15.060 7.334 -17.595
323 H GLN 40 H GLN 40 10.899 4.116 -13.207
324 HA GLN 40 HA GLN 40 11.585 4.868 -10.506
325 HB2 GLN 40 HB2 GLN 40 9.801 3.793 -9.381
326 HB3 GLN 40 HB3 GLN 40 9.051 4.814 -10.601
327 HG2 GLN 40 HG2 GLN 40 9.528 1.854 -10.870
328 HG3 GLN 40 HG3 GLN 40 7.996 2.607 -10.428
329 HE21 GLN 40 HE21 GLN 40 9.529 1.196 -12.883
330 HE22 GLN 40 HE22 GLN 40 8.797 2.001 -14.225
331 H ARG 41 H ARG 41 12.627 3.230 -9.366
332 HA ARG 41 HA ARG 41 12.802 0.568 -10.480
333 HB2 ARG 41 HB2 ARG 41 14.900 2.588 -10.886
334 HB3 ARG 41 HB3 ARG 41 15.479 1.062 -10.232
335 HG2 ARG 41 HG2 ARG 41 14.260 -0.074 -12.126
336 HG3 ARG 41 HG3 ARG 41 14.030 1.533 -12.820
337 HD2 ARG 41 HD2 ARG 41 16.371 1.865 -13.041
338 HD3 ARG 41 HD3 ARG 41 16.730 0.444 -12.060
339 HE ARG 41 HE ARG 41 16.507 -0.844 -13.931
340 HH11 ARG 41 HH11 ARG 41 14.965 2.226 -14.493
341 HH12 ARG 41 HH12 ARG 41 14.644 1.906 -16.166
342 HH21 ARG 41 HH21 ARG 41 16.090 -1.277 -16.131
343 HH22 ARG 41 HH22 ARG 41 15.283 -0.088 -17.096