Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
620884 | 5v2g RC | 30267 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 HN LYS 1 -7.025 5.837 16.414
2 HA LYS 1 HA LYS 1 -9.117 6.378 14.507
3 HB2 LYS 1 HB2 LYS 1 -8.230 7.818 17.017
4 HB3 LYS 1 HB1 LYS 1 -9.633 8.285 16.056
5 HG2 LYS 1 HG2 LYS 1 -10.623 6.055 16.401
6 HG3 LYS 1 HG1 LYS 1 -9.217 5.576 17.351
7 HD2 LYS 1 HD2 LYS 1 -9.697 7.371 18.976
8 HD3 LYS 1 HD1 LYS 1 -11.113 7.842 18.034
9 HE2 LYS 1 HE2 LYS 1 -10.702 5.086 19.230
10 HE3 LYS 1 HE1 LYS 1 -11.674 6.357 19.973
11 HZ1 LYS 1 HZ1 LYS 1 -12.368 4.580 17.883
12 HZ2 LYS 1 HZ2 LYS 1 -12.496 6.185 17.340
13 HZ3 LYS 1 HZ3 LYS 1 -13.352 5.681 18.718
14 H ASN 2 HN ASN 2 -6.018 6.842 14.153
15 HA ASN 2 HA ASN 2 -5.720 9.599 13.656
16 HB2 ASN 2 HB2 ASN 2 -3.668 8.933 12.416
17 HB3 ASN 2 HB1 ASN 2 -3.785 8.125 13.973
18 HD21 ASN 2 HD21 ASN 2 -2.231 7.043 11.843
19 HD22 ASN 2 HD22 ASN 2 -2.980 5.618 11.308
20 HA PRO 3 HA PRO 3 -7.771 10.111 9.775
21 HB2 PRO 3 HB2 PRO 3 -6.176 12.040 8.596
22 HB3 PRO 3 HB1 PRO 3 -7.334 12.379 9.898
23 HG2 PRO 3 HG2 PRO 3 -4.379 11.952 10.063
24 HG3 PRO 3 HG1 PRO 3 -5.390 13.151 10.889
25 HD2 PRO 3 HD2 PRO 3 -4.531 10.937 12.138
26 HD3 PRO 3 HD1 PRO 3 -6.116 11.637 12.493
27 H GLU 4 HN GLU 4 -4.462 9.144 9.922
28 HA GLU 4 HA GLU 4 -3.933 8.761 7.173
29 HB2 GLU 4 HB2 GLU 4 -2.811 7.418 9.628
30 HB3 GLU 4 HB1 GLU 4 -2.194 7.142 8.003
31 HG2 GLU 4 HG2 GLU 4 -1.678 9.515 7.762
32 HG3 GLU 4 HG1 GLU 4 -2.383 9.855 9.340
33 H ALA 5 HN ALA 5 -5.958 7.100 9.367
34 HA ALA 5 HA ALA 5 -5.900 4.478 8.379
35 HB1 ALA 5 HB1 ALA 5 -7.079 5.065 10.437
36 HB2 ALA 5 HB2 ALA 5 -8.189 4.290 9.304
37 HB3 ALA 5 HB3 ALA 5 -8.229 6.040 9.520
38 H GLU 6 HN GLU 6 -7.296 7.393 7.089
39 HA GLU 6 HA GLU 6 -9.174 6.283 5.303
40 HB2 GLU 6 HB2 GLU 6 -7.553 8.831 5.177
41 HB3 GLU 6 HB1 GLU 6 -8.819 8.427 4.017
42 HG2 GLU 6 HG2 GLU 6 -10.465 8.283 5.824
43 HG3 GLU 6 HG1 GLU 6 -9.209 8.603 7.018
44 H GLU 7 HN GLU 7 -5.695 6.818 5.053
45 HA GLU 7 HA GLU 7 -5.418 6.296 2.301
46 HB2 GLU 7 HB2 GLU 7 -3.608 7.303 3.601
47 HB3 GLU 7 HB1 GLU 7 -3.458 5.834 4.566
48 HG2 GLU 7 HG2 GLU 7 -1.744 5.923 2.785
49 HG3 GLU 7 HG1 GLU 7 -2.825 4.555 2.550
50 H ILE 8 HN ILE 8 -5.431 4.164 5.106
51 HA ILE 8 HA ILE 8 -4.694 1.774 3.786
52 HB ILE 8 HB ILE 8 -6.271 2.326 6.305
53 HG12 ILE 8 HG12 ILE 8 -4.222 1.409 7.354
54 HG13 ILE 8 HG11 ILE 8 -3.514 1.175 5.760
55 HG21 ILE 8 HG21 ILE 8 -5.841 -0.201 6.702
56 HG22 ILE 8 HG22 ILE 8 -5.637 -0.298 4.952
57 HG23 ILE 8 HG23 ILE 8 -7.168 0.250 5.631
58 HD11 ILE 8 HD11 ILE 8 -4.507 3.892 6.593
59 HD12 ILE 8 HD12 ILE 8 -3.294 3.475 5.382
60 HD13 ILE 8 HD13 ILE 8 -2.915 3.327 7.096
61 H THR 9 HN THR 9 -7.828 3.308 4.381
62 HA THR 9 HA THR 9 -9.462 1.250 3.363
63 HB THR 9 HB THR 9 -9.919 4.245 3.345
64 HG1 THR 9 HG1 THR 9 -10.288 2.178 5.202
65 HG21 THR 9 HG21 THR 9 -11.495 3.314 1.841
66 HG22 THR 9 HG22 THR 9 -12.359 3.419 3.375
67 HG23 THR 9 HG23 THR 9 -11.713 1.870 2.831
68 H ARG 10 HN ARG 10 -7.850 3.990 1.798
69 HA ARG 10 HA ARG 10 -8.954 3.666 -0.781
70 HB2 ARG 10 HB2 ARG 10 -7.693 5.678 -0.044
71 HB3 ARG 10 HB1 ARG 10 -6.211 4.722 -0.051
72 HG2 ARG 10 HG2 ARG 10 -6.485 4.269 -2.445
73 HG3 ARG 10 HG1 ARG 10 -8.004 5.164 -2.456
74 HD2 ARG 10 HD2 ARG 10 -6.287 6.642 -3.279
75 HD3 ARG 10 HD1 ARG 10 -6.726 7.180 -1.662
76 HE ARG 10 HE ARG 10 -4.566 5.389 -1.420
77 HH11 ARG 10 HH11 ARG 10 -2.470 6.215 -1.167
78 HH12 ARG 10 HH12 ARG 10 -2.120 7.844 -1.634
79 HH21 ARG 10 HH21 ARG 10 -5.342 8.503 -2.725
80 HH22 ARG 10 HH22 ARG 10 -3.744 9.136 -2.520
81 H CYS 11 HN CYS 11 -6.070 2.289 0.760
82 HA CYS 11 HA CYS 11 -4.937 0.998 -1.440
83 HB2 CYS 11 HB2 CYS 11 -4.995 0.310 1.485
84 HB3 CYS 11 HB1 CYS 11 -4.127 -0.677 0.313
85 H LYS 12 HN LYS 12 -7.441 -0.141 0.797
86 HA LYS 12 HA LYS 12 -7.743 -2.722 -0.261
87 HB2 LYS 12 HB2 LYS 12 -8.742 -2.006 1.875
88 HB3 LYS 12 HB1 LYS 12 -9.848 -0.946 1.001
89 HG2 LYS 12 HG2 LYS 12 -10.824 -2.877 -0.158
90 HG3 LYS 12 HG1 LYS 12 -9.686 -3.956 0.650
91 HD2 LYS 12 HD2 LYS 12 -10.624 -3.299 2.836
92 HD3 LYS 12 HD1 LYS 12 -11.766 -2.229 2.020
93 HE2 LYS 12 HE2 LYS 12 -12.733 -4.152 0.826
94 HE3 LYS 12 HE1 LYS 12 -11.583 -5.230 1.618
95 HZ1 LYS 12 HZ1 LYS 12 -12.695 -3.861 3.678
96 HZ2 LYS 12 HZ2 LYS 12 -13.131 -5.427 3.185
97 HZ3 LYS 12 HZ3 LYS 12 -14.010 -4.082 2.630
98 H LYS 13 HN LYS 13 -9.348 0.328 -1.109
99 HA LYS 13 HA LYS 13 -11.089 -0.742 -3.064
100 HB2 LYS 13 HB2 LYS 13 -11.323 1.511 -2.042
101 HB3 LYS 13 HB1 LYS 13 -9.906 2.025 -2.959
102 HG2 LYS 13 HG2 LYS 13 -11.010 1.656 -5.054
103 HG3 LYS 13 HG1 LYS 13 -12.354 0.826 -4.274
104 HD2 LYS 13 HD2 LYS 13 -13.124 3.045 -4.771
105 HD3 LYS 13 HD1 LYS 13 -12.824 2.996 -3.035
106 HE2 LYS 13 HE2 LYS 13 -10.714 4.131 -3.287
107 HE3 LYS 13 HE1 LYS 13 -10.790 3.995 -5.044
108 HZ1 LYS 13 HZ1 LYS 13 -12.978 5.327 -3.624
109 HZ2 LYS 13 HZ2 LYS 13 -12.373 5.606 -5.186
110 HZ3 LYS 13 HZ3 LYS 13 -11.517 6.164 -3.829
111 H LEU 14 HN LEU 14 -7.782 0.485 -3.220
112 HA LEU 14 HA LEU 14 -7.505 0.447 -6.026
113 HB2 LEU 14 HB2 LEU 14 -5.525 0.189 -3.761
114 HB3 LEU 14 HB1 LEU 14 -5.016 0.212 -5.443
115 HG LEU 14 HG LEU 14 -6.771 2.373 -4.244
116 HD11 LEU 14 HD11 LEU 14 -4.838 2.679 -2.964
117 HD12 LEU 14 HD12 LEU 14 -4.469 3.670 -4.365
118 HD13 LEU 14 HD13 LEU 14 -3.770 2.057 -4.218
119 HD21 LEU 14 HD21 LEU 14 -5.243 1.986 -6.826
120 HD22 LEU 14 HD22 LEU 14 -5.538 3.613 -6.224
121 HD23 LEU 14 HD23 LEU 14 -6.893 2.557 -6.589
122 H LEU 15 HN LEU 15 -6.895 -2.030 -3.572
123 HA LEU 15 HA LEU 15 -5.770 -3.952 -5.307
124 HB2 LEU 15 HB2 LEU 15 -7.323 -4.255 -2.724
125 HB3 LEU 15 HB1 LEU 15 -6.472 -5.577 -3.523
126 HG LEU 15 HG LEU 15 -5.146 -2.986 -2.686
127 HD11 LEU 15 HD11 LEU 15 -5.361 -5.646 -1.271
128 HD12 LEU 15 HD12 LEU 15 -5.826 -4.057 -0.660
129 HD13 LEU 15 HD13 LEU 15 -4.122 -4.454 -0.884
130 HD21 LEU 15 HD21 LEU 15 -3.110 -4.678 -2.849
131 HD22 LEU 15 HD22 LEU 15 -3.724 -3.879 -4.287
132 HD23 LEU 15 HD23 LEU 15 -4.191 -5.545 -3.945
133 H ASP 16 HN ASP 16 -9.116 -3.346 -4.311
134 HA ASP 16 HA ASP 16 -10.248 -5.546 -5.718
135 HB2 ASP 16 HB2 ASP 16 -11.411 -2.952 -4.703
136 HB3 ASP 16 HB1 ASP 16 -12.380 -4.192 -5.499
137 H ASP 17 HN ASP 17 -9.635 -2.172 -6.550
138 HA ASP 17 HA ASP 17 -10.959 -2.212 -9.064
139 HB2 ASP 17 HB2 ASP 17 -8.827 -0.404 -7.923
140 HB3 ASP 17 HB1 ASP 17 -9.559 -0.159 -9.505
141 H SER 18 HN SER 18 -8.112 -3.651 -7.998
142 HA SER 18 HA SER 18 -6.390 -3.444 -10.166
143 HB2 SER 18 HB2 SER 18 -5.977 -4.601 -7.917
144 HB3 SER 18 HB1 SER 18 -6.797 -5.992 -8.614
145 HG SER 18 HG SER 18 -5.232 -5.752 -10.388
146 H SER 19 HN SER 19 -9.281 -5.293 -9.777
147 HA SER 19 HA SER 19 -8.844 -6.907 -12.150
148 HB2 SER 19 HB2 SER 19 -11.034 -7.830 -11.723
149 HB3 SER 19 HB1 SER 19 -10.180 -7.711 -10.186
150 HG SER 19 HG SER 19 -11.327 -5.415 -10.460
151 H SER 20 HN SER 20 -9.866 -3.790 -11.556
152 HA SER 20 HA SER 20 -11.728 -3.542 -13.757
153 HB2 SER 20 HB2 SER 20 -10.349 -1.312 -12.257
154 HB3 SER 20 HB1 SER 20 -11.830 -1.212 -13.205
155 HG SER 20 HG SER 20 -11.740 -1.602 -10.696
156 H1 LYS 1 HN LYS 1 -11.376 -2.406 -15.690
157 HA LYS 1 HA LYS 1 -8.736 -2.736 -16.788
158 HB2 LYS 1 HB2 LYS 1 -11.277 -1.563 -17.936
159 HB3 LYS 1 HB1 LYS 1 -9.785 -1.774 -18.852
160 HG2 LYS 1 HG2 LYS 1 -9.839 -4.197 -18.398
161 HG3 LYS 1 HG1 LYS 1 -11.328 -3.990 -17.474
162 HD2 LYS 1 HD2 LYS 1 -12.456 -3.109 -19.488
163 HD3 LYS 1 HD1 LYS 1 -10.972 -3.340 -20.415
164 HE2 LYS 1 HE2 LYS 1 -12.449 -5.562 -18.974
165 HE3 LYS 1 HE1 LYS 1 -12.601 -5.219 -20.698
166 HZ1 LYS 1 HZ1 LYS 1 -10.572 -6.650 -19.344
167 HZ2 LYS 1 HZ2 LYS 1 -9.891 -5.322 -20.156
168 HZ3 LYS 1 HZ3 LYS 1 -10.813 -6.464 -21.013
169 H ASN 2 HN ASN 2 -9.671 -0.589 -14.682
170 HA ASN 2 HA ASN 2 -9.148 1.906 -15.883
171 HB2 ASN 2 HB2 ASN 2 -8.942 2.742 -13.548
172 HB3 ASN 2 HB1 ASN 2 -10.365 1.732 -13.765
173 HD21 ASN 2 HD21 ASN 2 -9.214 2.102 -11.195
174 HD22 ASN 2 HD22 ASN 2 -8.523 0.635 -10.699
175 HA PRO 3 HA PRO 3 -4.735 1.930 -16.153
176 HB2 PRO 3 HB2 PRO 3 -4.207 4.608 -15.687
177 HB3 PRO 3 HB1 PRO 3 -4.851 3.980 -17.217
178 HG2 PRO 3 HG2 PRO 3 -6.302 5.263 -14.940
179 HG3 PRO 3 HG1 PRO 3 -6.524 5.486 -16.686
180 HD2 PRO 3 HD2 PRO 3 -8.180 3.940 -15.233
181 HD3 PRO 3 HD1 PRO 3 -7.785 3.548 -16.911
182 H GLU 4 HN GLU 4 -6.352 2.952 -13.285
183 HA GLU 4 HA GLU 4 -4.126 3.469 -11.619
184 HB2 GLU 4 HB2 GLU 4 -6.925 2.539 -10.989
185 HB3 GLU 4 HB1 GLU 4 -5.742 2.961 -9.755
186 HG2 GLU 4 HG2 GLU 4 -5.547 5.218 -10.670
187 HG3 GLU 4 HG1 GLU 4 -6.650 4.806 -11.982
188 H ALA 5 HN ALA 5 -5.385 0.576 -12.939
189 HA ALA 5 HA ALA 5 -4.719 -1.321 -10.987
190 HB1 ALA 5 HB1 ALA 5 -6.032 -1.896 -12.968
191 HB2 ALA 5 HB2 ALA 5 -4.602 -2.923 -12.874
192 HB3 ALA 5 HB3 ALA 5 -4.643 -1.571 -14.006
193 H GLU 6 HN GLU 6 -2.738 0.509 -13.188
194 HA GLU 6 HA GLU 6 -0.419 -1.094 -13.200
195 HB2 GLU 6 HB2 GLU 6 -0.793 1.893 -13.477
196 HB3 GLU 6 HB1 GLU 6 0.759 1.085 -13.698
197 HG2 GLU 6 HG2 GLU 6 -0.180 -0.294 -15.488
198 HG3 GLU 6 HG1 GLU 6 -1.769 0.429 -15.238
199 H GLU 7 HN GLU 7 -1.620 1.311 -10.918
200 HA GLU 7 HA GLU 7 0.710 1.566 -9.361
201 HB2 GLU 7 HB2 GLU 7 -1.159 3.135 -9.150
202 HB3 GLU 7 HB1 GLU 7 -2.196 1.843 -8.547
203 HG2 GLU 7 HG2 GLU 7 -1.298 3.213 -6.695
204 HG3 GLU 7 HG1 GLU 7 -0.722 1.555 -6.584
205 H ILE 8 HN ILE 8 -1.983 -0.701 -9.209
206 HA ILE 8 HA ILE 8 -1.285 -1.976 -6.782
207 HB ILE 8 HB ILE 8 -2.861 -2.881 -9.197
208 HG12 ILE 8 HG12 ILE 8 -4.739 -2.677 -7.596
209 HG13 ILE 8 HG11 ILE 8 -3.611 -2.183 -6.338
210 HG21 ILE 8 HG21 ILE 8 -3.595 -4.764 -7.572
211 HG22 ILE 8 HG22 ILE 8 -2.107 -4.397 -6.696
212 HG23 ILE 8 HG23 ILE 8 -2.033 -4.934 -8.373
213 HD11 ILE 8 HD11 ILE 8 -3.717 -0.677 -8.943
214 HD12 ILE 8 HD12 ILE 8 -3.181 -0.122 -7.356
215 HD13 ILE 8 HD13 ILE 8 -4.898 -0.351 -7.676
216 H THR 9 HN THR 9 -0.388 -2.599 -10.149
217 HA THR 9 HA THR 9 1.062 -4.978 -9.719
218 HB THR 9 HB THR 9 1.492 -2.817 -11.795
219 HG1 THR 9 HG1 THR 9 -0.179 -5.050 -11.547
220 HG21 THR 9 HG21 THR 9 3.454 -4.132 -11.812
221 HG22 THR 9 HG22 THR 9 2.441 -4.856 -13.060
222 HG23 THR 9 HG23 THR 9 2.566 -5.619 -11.475
223 H ARG 10 HN ARG 10 2.003 -1.566 -9.568
224 HA ARG 10 HA ARG 10 4.776 -1.952 -9.174
225 HB2 ARG 10 HB2 ARG 10 3.746 0.234 -9.740
226 HB3 ARG 10 HB1 ARG 10 3.033 0.296 -8.128
227 HG2 ARG 10 HG2 ARG 10 5.264 0.239 -7.113
228 HG3 ARG 10 HG1 ARG 10 6.005 0.109 -8.708
229 HD2 ARG 10 HD2 ARG 10 6.135 2.419 -8.053
230 HD3 ARG 10 HD1 ARG 10 4.895 2.296 -9.295
231 HE ARG 10 HE ARG 10 3.635 2.021 -6.793
232 HH11 ARG 10 HH11 ARG 10 2.601 3.817 -5.869
233 HH12 ARG 10 HH12 ARG 10 3.007 5.414 -6.396
234 HH21 ARG 10 HH21 ARG 10 5.388 4.341 -8.674
235 HH22 ARG 10 HH22 ARG 10 4.588 5.711 -7.978
236 H CYS 11 HN CYS 11 2.060 -1.738 -6.899
237 HA CYS 11 HA CYS 11 3.471 -1.731 -4.491
238 HB2 CYS 11 HB2 CYS 11 0.782 -2.815 -5.266
239 HB3 CYS 11 HB1 CYS 11 1.384 -2.966 -3.619
240 H LYS 12 HN LYS 12 2.421 -4.471 -6.487
241 HA LYS 12 HA LYS 12 3.278 -6.530 -4.775
242 HB2 LYS 12 HB2 LYS 12 1.834 -6.900 -6.742
243 HB3 LYS 12 HB1 LYS 12 3.189 -6.514 -7.803
244 HG2 LYS 12 HG2 LYS 12 4.466 -8.409 -6.896
245 HG3 LYS 12 HG1 LYS 12 3.145 -8.782 -5.789
246 HD2 LYS 12 HD2 LYS 12 1.651 -9.174 -7.713
247 HD3 LYS 12 HD1 LYS 12 2.980 -8.810 -8.815
248 HE2 LYS 12 HE2 LYS 12 4.276 -10.690 -7.882
249 HE3 LYS 12 HE1 LYS 12 2.950 -11.055 -6.777
250 HZ1 LYS 12 HZ1 LYS 12 1.734 -10.949 -9.193
251 HZ2 LYS 12 HZ2 LYS 12 2.219 -12.371 -8.401
252 HZ3 LYS 12 HZ3 LYS 12 3.226 -11.662 -9.571
253 H LYS 13 HN LYS 13 4.975 -4.810 -7.377
254 HA LYS 13 HA LYS 13 7.390 -6.277 -7.241
255 HB2 LYS 13 HB2 LYS 13 6.746 -4.761 -9.111
256 HB3 LYS 13 HB1 LYS 13 7.027 -3.395 -8.032
257 HG2 LYS 13 HG2 LYS 13 9.352 -3.925 -7.808
258 HG3 LYS 13 HG1 LYS 13 9.139 -5.487 -8.598
259 HD2 LYS 13 HD2 LYS 13 10.097 -4.014 -10.236
260 HD3 LYS 13 HD1 LYS 13 8.400 -4.215 -10.667
261 HE2 LYS 13 HE2 LYS 13 7.825 -2.079 -9.703
262 HE3 LYS 13 HE1 LYS 13 9.436 -1.901 -9.008
263 HZ1 LYS 13 HZ1 LYS 13 9.165 -2.295 -11.899
264 HZ2 LYS 13 HZ2 LYS 13 10.350 -1.443 -11.028
265 HZ3 LYS 13 HZ3 LYS 13 8.807 -0.770 -11.250
266 H LEU 14 HN LEU 14 6.231 -3.409 -5.532
267 HA LEU 14 HA LEU 14 8.641 -2.758 -4.220
268 HB2 LEU 14 HB2 LEU 14 5.739 -2.290 -3.529
269 HB3 LEU 14 HB1 LEU 14 7.047 -1.666 -2.535
270 HG LEU 14 HG LEU 14 6.856 -1.131 -5.511
271 HD11 LEU 14 HD11 LEU 14 4.932 -0.022 -4.786
272 HD12 LEU 14 HD12 LEU 14 6.135 1.235 -4.557
273 HD13 LEU 14 HD13 LEU 14 5.576 0.288 -3.177
274 HD21 LEU 14 HD21 LEU 14 8.557 -0.127 -3.225
275 HD22 LEU 14 HD22 LEU 14 8.250 0.923 -4.602
276 HD23 LEU 14 HD23 LEU 14 9.051 -0.621 -4.842
277 H LEU 15 HN LEU 15 5.974 -4.889 -3.297
278 HA LEU 15 HA LEU 15 6.911 -5.490 -0.702
279 HB2 LEU 15 HB2 LEU 15 5.208 -7.086 -2.633
280 HB3 LEU 15 HB1 LEU 15 5.467 -7.533 -0.947
281 HG LEU 15 HG LEU 15 4.351 -4.857 -1.828
282 HD11 LEU 15 HD11 LEU 15 2.962 -7.400 -0.971
283 HD12 LEU 15 HD12 LEU 15 2.724 -6.490 -2.464
284 HD13 LEU 15 HD13 LEU 15 2.179 -5.821 -0.925
285 HD21 LEU 15 HD21 LEU 15 3.516 -5.050 0.676
286 HD22 LEU 15 HD22 LEU 15 5.143 -4.491 0.326
287 HD23 LEU 15 HD23 LEU 15 4.880 -6.160 0.833
288 H ASP 16 HN ASP 16 7.481 -7.040 -3.834
289 HA ASP 16 HA ASP 16 9.053 -9.185 -2.814
290 HB2 ASP 16 HB2 ASP 16 8.839 -7.926 -5.549
291 HB3 ASP 16 HB1 ASP 16 9.865 -9.319 -5.211
292 H ASP 17 HN ASP 17 9.825 -5.964 -4.036
293 HA ASP 17 HA ASP 17 12.646 -6.262 -3.988
294 HB2 ASP 17 HB2 ASP 17 10.866 -3.823 -3.946
295 HB3 ASP 17 HB1 ASP 17 12.623 -3.743 -4.014
296 H SER 18 HN SER 18 10.372 -6.043 -1.521
297 HA SER 18 HA SER 18 11.614 -4.507 0.428
298 HB2 SER 18 HB2 SER 18 9.331 -5.683 0.527
299 HB3 SER 18 HB1 SER 18 10.220 -7.105 1.039
300 HG SER 18 HG SER 18 11.130 -5.712 2.705
301 H SER 19 HN SER 19 12.350 -7.686 -0.708
302 HA SER 19 HA SER 19 14.188 -8.287 1.455
303 HB2 SER 19 HB2 SER 19 14.668 -10.329 0.254
304 HB3 SER 19 HB1 SER 19 12.926 -10.062 0.218
305 HG SER 19 HG SER 19 13.804 -8.783 -1.842
306 H SER 20 HN SER 20 14.323 -6.442 -1.313
307 HA SER 20 HA SER 20 17.126 -6.842 -1.931
308 HB2 SER 20 HB2 SER 20 15.357 -4.576 -2.854
309 HB3 SER 20 HB1 SER 20 16.848 -5.152 -3.596
310 HG SER 20 HG SER 20 14.459 -5.919 -4.188
311 H1 LYS 1 HN LYS 1 18.792 -5.310 -1.620
312 HA LYS 1 HA LYS 1 18.620 -3.902 0.884
313 HB2 LYS 1 HB2 LYS 1 20.816 -4.102 -1.186
314 HB3 LYS 1 HB1 LYS 1 20.986 -3.259 0.353
315 HG2 LYS 1 HG2 LYS 1 20.468 -5.342 1.562
316 HG3 LYS 1 HG1 LYS 1 20.278 -6.190 0.027
317 HD2 LYS 1 HD2 LYS 1 22.629 -5.672 -0.544
318 HD3 LYS 1 HD1 LYS 1 22.819 -4.854 1.006
319 HE2 LYS 1 HE2 LYS 1 22.023 -7.763 0.696
320 HE3 LYS 1 HE1 LYS 1 23.662 -7.209 1.038
321 HZ1 LYS 1 HZ1 LYS 1 21.508 -7.559 2.825
322 HZ2 LYS 1 HZ2 LYS 1 21.988 -5.929 2.839
323 HZ3 LYS 1 HZ3 LYS 1 23.120 -7.153 3.169
324 H ASN 2 HN ASN 2 17.275 -3.117 -1.867
325 HA ASN 2 HA ASN 2 18.263 -0.550 -2.478
326 HB2 ASN 2 HB2 ASN 2 16.129 -0.257 -3.714
327 HB3 ASN 2 HB1 ASN 2 16.867 -1.817 -4.052
328 HD21 ASN 2 HD21 ASN 2 14.083 -1.401 -4.424
329 HD22 ASN 2 HD22 ASN 2 13.243 -2.299 -3.255
330 HA PRO 3 HA PRO 3 16.602 1.921 0.791
331 HB2 PRO 3 HB2 PRO 3 16.079 4.281 -0.558
332 HB3 PRO 3 HB1 PRO 3 17.708 3.750 -0.094
333 HG2 PRO 3 HG2 PRO 3 16.323 3.505 -2.731
334 HG3 PRO 3 HG1 PRO 3 18.001 3.957 -2.380
335 HD2 PRO 3 HD2 PRO 3 17.352 1.490 -3.212
336 HD3 PRO 3 HD1 PRO 3 18.672 1.755 -2.066
337 H GLU 4 HN GLU 4 14.757 1.277 -2.057
338 HA GLU 4 HA GLU 4 12.326 2.542 -1.372
339 HB2 GLU 4 HB2 GLU 4 12.910 0.133 -3.088
340 HB3 GLU 4 HB1 GLU 4 11.311 0.856 -2.943
341 HG2 GLU 4 HG2 GLU 4 12.162 2.986 -3.775
342 HG3 GLU 4 HG1 GLU 4 13.801 2.341 -3.829
343 H ALA 5 HN ALA 5 13.908 -0.209 -0.100
344 HA ALA 5 HA ALA 5 11.766 -1.801 0.755
345 HB1 ALA 5 HB1 ALA 5 14.100 -2.546 0.890
346 HB2 ALA 5 HB2 ALA 5 13.334 -2.635 2.478
347 HB3 ALA 5 HB3 ALA 5 14.435 -1.310 2.103
348 H GLU 6 HN GLU 6 12.986 1.241 1.922
349 HA GLU 6 HA GLU 6 11.915 1.220 4.533
350 HB2 GLU 6 HB2 GLU 6 12.486 3.489 2.621
351 HB3 GLU 6 HB1 GLU 6 11.976 3.732 4.292
352 HG2 GLU 6 HG2 GLU 6 13.917 2.472 5.094
353 HG3 GLU 6 HG1 GLU 6 14.417 2.152 3.435
354 H GLU 7 HN GLU 7 10.508 2.036 1.400
355 HA GLU 7 HA GLU 7 8.115 3.184 2.333
356 HB2 GLU 7 HB2 GLU 7 8.811 3.390 -0.002
357 HB3 GLU 7 HB1 GLU 7 8.655 1.647 -0.221
358 HG2 GLU 7 HG2 GLU 7 6.669 2.842 -1.081
359 HG3 GLU 7 HG1 GLU 7 6.234 1.790 0.259
360 H ILE 8 HN ILE 8 9.012 -0.157 1.666
361 HA ILE 8 HA ILE 8 6.457 -1.319 2.001
362 HB ILE 8 HB ILE 8 9.254 -2.414 2.315
363 HG12 ILE 8 HG12 ILE 8 8.643 -3.584 0.224
364 HG13 ILE 8 HG11 ILE 8 7.058 -2.831 0.260
365 HG21 ILE 8 HG21 ILE 8 8.012 -4.675 2.253
366 HG22 ILE 8 HG22 ILE 8 6.586 -3.760 2.745
367 HG23 ILE 8 HG23 ILE 8 8.012 -3.791 3.780
368 HD11 ILE 8 HD11 ILE 8 9.548 -1.146 0.319
369 HD12 ILE 8 HD12 ILE 8 7.924 -0.713 -0.223
370 HD13 ILE 8 HD13 ILE 8 8.927 -1.776 -1.206
371 H THR 9 HN THR 9 9.072 -0.624 4.275
372 HA THR 9 HA THR 9 7.937 -1.852 6.542
373 HB THR 9 HB THR 9 9.727 0.584 6.373
374 HG1 THR 9 HG1 THR 9 10.112 -2.183 6.354
375 HG21 THR 9 HG21 THR 9 8.869 0.613 8.561
376 HG22 THR 9 HG22 THR 9 10.356 -0.319 8.727
377 HG23 THR 9 HG23 THR 9 8.799 -1.147 8.662
378 H ARG 10 HN ARG 10 7.574 1.399 5.179
379 HA ARG 10 HA ARG 10 6.006 2.513 7.249
380 HB2 ARG 10 HB2 ARG 10 7.069 3.841 5.440
381 HB3 ARG 10 HB1 ARG 10 5.920 3.158 4.290
382 HG2 ARG 10 HG2 ARG 10 4.050 4.115 5.552
383 HG3 ARG 10 HG1 ARG 10 5.168 4.755 6.758
384 HD2 ARG 10 HD2 ARG 10 4.635 6.556 5.255
385 HD3 ARG 10 HD1 ARG 10 6.282 6.047 4.900
386 HE ARG 10 HE ARG 10 4.547 4.601 3.216
387 HH11 ARG 10 HH11 ARG 10 4.255 5.289 1.076
388 HH12 ARG 10 HH12 ARG 10 4.643 6.916 0.631
389 HH21 ARG 10 HH21 ARG 10 5.625 7.836 3.825
390 HH22 ARG 10 HH22 ARG 10 5.414 8.358 2.188
391 H CYS 11 HN CYS 11 5.132 0.713 4.317
392 HA CYS 11 HA CYS 11 2.355 0.974 4.424
393 HB2 CYS 11 HB2 CYS 11 4.135 -1.228 3.426
394 HB3 CYS 11 HB1 CYS 11 2.382 -1.330 3.309
395 H LYS 12 HN LYS 12 4.460 -1.394 6.021
396 HA LYS 12 HA LYS 12 2.436 -2.953 7.196
397 HB2 LYS 12 HB2 LYS 12 4.801 -3.638 7.116
398 HB3 LYS 12 HB1 LYS 12 5.211 -2.353 8.253
399 HG2 LYS 12 HG2 LYS 12 3.746 -3.362 9.951
400 HG3 LYS 12 HG1 LYS 12 3.285 -4.629 8.814
401 HD2 LYS 12 HD2 LYS 12 5.632 -5.369 8.690
402 HD3 LYS 12 HD1 LYS 12 6.092 -4.101 9.829
403 HE2 LYS 12 HE2 LYS 12 4.597 -5.086 11.529
404 HE3 LYS 12 HE1 LYS 12 4.142 -6.355 10.392
405 HZ1 LYS 12 HZ1 LYS 12 6.849 -6.423 10.353
406 HZ2 LYS 12 HZ2 LYS 12 5.852 -7.469 11.246
407 HZ3 LYS 12 HZ3 LYS 12 6.517 -6.090 11.983
408 H LYS 13 HN LYS 13 4.149 -0.081 8.389
409 HA LYS 13 HA LYS 13 2.909 0.025 10.930
410 HB2 LYS 13 HB2 LYS 13 4.956 1.293 10.290
411 HB3 LYS 13 HB1 LYS 13 3.939 2.325 9.284
412 HG2 LYS 13 HG2 LYS 13 2.704 3.121 11.178
413 HG3 LYS 13 HG1 LYS 13 3.428 1.911 12.238
414 HD2 LYS 13 HD2 LYS 13 4.569 3.980 12.677
415 HD3 LYS 13 HD1 LYS 13 5.676 2.981 11.740
416 HE2 LYS 13 HE2 LYS 13 5.171 4.184 9.713
417 HE3 LYS 13 HE1 LYS 13 3.856 5.058 10.498
418 HZ1 LYS 13 HZ1 LYS 13 6.543 5.223 11.645
419 HZ2 LYS 13 HZ2 LYS 13 5.298 6.378 11.632
420 HZ3 LYS 13 HZ3 LYS 13 6.219 6.102 10.232
421 H LEU 14 HN LEU 14 2.027 1.345 7.773
422 HA LEU 14 HA LEU 14 -0.154 2.919 8.621
423 HB2 LEU 14 HB2 LEU 14 0.503 1.555 6.010
424 HB3 LEU 14 HB1 LEU 14 -0.930 2.554 6.200
425 HG LEU 14 HG LEU 14 1.852 3.544 6.883
426 HD11 LEU 14 HD11 LEU 14 2.112 3.212 4.585
427 HD12 LEU 14 HD12 LEU 14 1.442 4.835 4.606
428 HD13 LEU 14 HD13 LEU 14 0.402 3.457 4.239
429 HD21 LEU 14 HD21 LEU 14 -0.897 4.775 6.609
430 HD22 LEU 14 HD22 LEU 14 0.530 5.760 6.304
431 HD23 LEU 14 HD23 LEU 14 0.304 5.012 7.877
432 H LEU 15 HN LEU 15 0.033 -0.466 7.603
433 HA LEU 15 HA LEU 15 -2.744 -0.979 7.655
434 HB2 LEU 15 HB2 LEU 15 -0.364 -2.802 8.090
435 HB3 LEU 15 HB1 LEU 15 -2.021 -3.372 7.898
436 HG LEU 15 HG LEU 15 -0.597 -1.630 5.870
437 HD11 LEU 15 HD11 LEU 15 -0.922 -4.632 6.017
438 HD12 LEU 15 HD12 LEU 15 0.582 -3.715 5.907
439 HD13 LEU 15 HD13 LEU 15 -0.517 -3.779 4.528
440 HD21 LEU 15 HD21 LEU 15 -2.501 -2.766 4.431
441 HD22 LEU 15 HD22 LEU 15 -2.864 -1.358 5.416
442 HD23 LEU 15 HD23 LEU 15 -3.292 -2.968 5.997
443 H ASP 16 HN ASP 16 -0.241 -1.276 10.144
444 HA ASP 16 HA ASP 16 -1.942 -2.369 12.147
445 HB2 ASP 16 HB2 ASP 16 0.678 -0.875 12.284
446 HB3 ASP 16 HB1 ASP 16 -0.137 -1.518 13.710
447 H ASP 17 HN ASP 17 -1.009 0.924 11.277
448 HA ASP 17 HA ASP 17 -2.287 2.212 13.461
449 HB2 ASP 17 HB2 ASP 17 -1.418 3.210 10.746
450 HB3 ASP 17 HB1 ASP 17 -2.117 4.249 11.984
451 H SER 18 HN SER 18 -3.511 0.620 10.766
452 HA SER 18 HA SER 18 -5.717 2.132 10.020
453 HB2 SER 18 HB2 SER 18 -4.888 -0.060 8.996
454 HB3 SER 18 HB1 SER 18 -5.774 -0.867 10.283
455 HG SER 18 HG SER 18 -7.613 0.454 9.526
456 H SER 19 HN SER 19 -5.182 0.215 12.840
457 HA SER 19 HA SER 19 -7.961 0.256 13.678
458 HB2 SER 19 HB2 SER 19 -7.204 -0.875 15.671
459 HB3 SER 19 HB1 SER 19 -6.383 -1.595 14.288
460 HG SER 19 HG SER 19 -4.836 0.333 14.931
461 H SER 20 HN SER 20 -5.423 2.415 13.762
462 HA SER 20 HA SER 20 -6.111 3.760 16.232
463 HB2 SER 20 HB2 SER 20 -4.386 4.814 13.988
464 HB3 SER 20 HB1 SER 20 -4.406 5.344 15.667
465 HG SER 20 HG SER 20 -2.851 3.560 14.679
466 H2 ZBR 100 HA3 TBS 100 -2.164 -0.215 -1.254
467 H4 ZBR 100 HC3 TBS 100 0.622 -0.020 2.081
468 H6 ZBR 100 HB3 TBS 100 2.001 -1.313 -1.841
469 H7 ZBR 100 HB11 TBS 100 -1.288 -0.439 -3.442
470 H7A ZBR 100 HB12 TBS 100 -0.750 -2.105 -3.248
471 H8 ZBR 100 HA11 TBS 100 -1.505 0.978 2.262
472 H8A ZBR 100 HA12 TBS 100 -2.458 -0.453 1.877
473 H9 ZBR 100 HC11 TBS 100 3.563 -0.827 -0.134
474 H9A ZBR 100 HC12 TBS 100 2.932 -1.878 1.132
Start of MODEL 2
1 H1 LYS 1 HN LYS 1 -7.580 5.066 16.795
2 HA LYS 1 HA LYS 1 -9.645 5.395 14.824
3 HB2 LYS 1 HB2 LYS 1 -9.133 6.693 17.502
4 HB3 LYS 1 HB1 LYS 1 -10.509 7.117 16.482
5 HG2 LYS 1 HG2 LYS 1 -11.251 4.765 16.498
6 HG3 LYS 1 HG1 LYS 1 -9.873 4.336 17.512
7 HD2 LYS 1 HD2 LYS 1 -10.681 5.857 19.272
8 HD3 LYS 1 HD1 LYS 1 -12.058 6.301 18.262
9 HE2 LYS 1 HE2 LYS 1 -11.454 3.477 19.189
10 HE3 LYS 1 HE1 LYS 1 -12.625 4.552 19.956
11 HZ1 LYS 1 HZ1 LYS 1 -12.691 3.505 17.181
12 HZ2 LYS 1 HZ2 LYS 1 -13.718 4.737 17.743
13 HZ3 LYS 1 HZ3 LYS 1 -13.794 3.186 18.429
14 H ASN 2 HN ASN 2 -6.683 6.407 14.631
15 HA ASN 2 HA ASN 2 -6.771 9.195 14.399
16 HB2 ASN 2 HB2 ASN 2 -4.723 8.941 13.008
17 HB3 ASN 2 HB1 ASN 2 -4.651 7.974 14.479
18 HD21 ASN 2 HD21 ASN 2 -3.094 7.335 12.156
19 HD22 ASN 2 HD22 ASN 2 -3.668 5.863 11.534
20 HA PRO 3 HA PRO 3 -9.068 9.880 10.679
21 HB2 PRO 3 HB2 PRO 3 -7.812 12.151 9.715
22 HB3 PRO 3 HB1 PRO 3 -8.945 12.155 11.082
23 HG2 PRO 3 HG2 PRO 3 -5.956 12.139 11.107
24 HG3 PRO 3 HG1 PRO 3 -7.083 13.074 12.106
25 HD2 PRO 3 HD2 PRO 3 -5.868 10.861 13.045
26 HD3 PRO 3 HD1 PRO 3 -7.522 11.281 13.524
27 H GLU 4 HN GLU 4 -5.654 9.389 10.602
28 HA GLU 4 HA GLU 4 -5.213 9.424 7.811
29 HB2 GLU 4 HB2 GLU 4 -3.777 7.889 9.989
30 HB3 GLU 4 HB1 GLU 4 -3.193 8.086 8.337
31 HG2 GLU 4 HG2 GLU 4 -3.818 10.388 10.207
32 HG3 GLU 4 HG1 GLU 4 -2.201 9.740 9.938
33 H ALA 5 HN ALA 5 -6.970 7.305 9.766
34 HA ALA 5 HA ALA 5 -6.566 4.817 8.548
35 HB1 ALA 5 HB1 ALA 5 -8.560 4.126 9.597
36 HB2 ALA 5 HB2 ALA 5 -9.259 5.745 9.535
37 HB3 ALA 5 HB3 ALA 5 -7.939 5.395 10.653
38 H GLU 6 HN GLU 6 -8.265 7.647 7.463
39 HA GLU 6 HA GLU 6 -10.007 6.497 5.581
40 HB2 GLU 6 HB2 GLU 6 -8.609 9.180 5.639
41 HB3 GLU 6 HB1 GLU 6 -9.829 8.749 4.439
42 HG2 GLU 6 HG2 GLU 6 -11.470 8.351 6.209
43 HG3 GLU 6 HG1 GLU 6 -10.255 8.689 7.441
44 H GLU 7 HN GLU 7 -6.594 7.410 5.360
45 HA GLU 7 HA GLU 7 -6.299 7.026 2.574
46 HB2 GLU 7 HB2 GLU 7 -4.643 8.187 4.051
47 HB3 GLU 7 HB1 GLU 7 -4.200 6.617 4.720
48 HG2 GLU 7 HG2 GLU 7 -2.625 7.170 2.957
49 HG3 GLU 7 HG1 GLU 7 -3.644 5.848 2.391
50 H ILE 8 HN ILE 8 -5.975 4.838 5.332
51 HA ILE 8 HA ILE 8 -4.999 2.592 3.910
52 HB ILE 8 HB ILE 8 -6.480 2.917 6.526
53 HG12 ILE 8 HG12 ILE 8 -4.306 2.125 7.423
54 HG13 ILE 8 HG11 ILE 8 -3.688 1.977 5.779
55 HG21 ILE 8 HG21 ILE 8 -7.266 0.787 5.864
56 HG22 ILE 8 HG22 ILE 8 -5.831 0.411 6.814
57 HG23 ILE 8 HG23 ILE 8 -5.757 0.379 5.054
58 HD11 ILE 8 HD11 ILE 8 -3.133 4.144 7.089
59 HD12 ILE 8 HD12 ILE 8 -4.810 4.594 6.778
60 HD13 ILE 8 HD13 ILE 8 -3.707 4.308 5.431
61 H THR 9 HN THR 9 -8.274 3.734 4.625
62 HA THR 9 HA THR 9 -9.696 1.493 3.729
63 HB THR 9 HB THR 9 -10.472 4.420 3.607
64 HG1 THR 9 HG1 THR 9 -10.134 3.897 5.693
65 HG21 THR 9 HG21 THR 9 -11.979 3.244 2.198
66 HG22 THR 9 HG22 THR 9 -12.808 3.377 3.749
67 HG23 THR 9 HG23 THR 9 -12.035 1.858 3.289
68 H ARG 10 HN ARG 10 -8.514 4.345 1.982
69 HA ARG 10 HA ARG 10 -9.610 3.630 -0.542
70 HB2 ARG 10 HB2 ARG 10 -7.288 5.400 0.224
71 HB3 ARG 10 HB1 ARG 10 -7.836 5.201 -1.440
72 HG2 ARG 10 HG2 ARG 10 -10.160 5.873 -0.622
73 HG3 ARG 10 HG1 ARG 10 -9.390 6.328 0.900
74 HD2 ARG 10 HD2 ARG 10 -8.630 7.405 -1.824
75 HD3 ARG 10 HD1 ARG 10 -9.620 8.256 -0.643
76 HE ARG 10 HE ARG 10 -6.734 7.826 -0.516
77 HH11 ARG 10 HH11 ARG 10 -5.693 8.990 1.135
78 HH12 ARG 10 HH12 ARG 10 -6.627 9.748 2.380
79 HH21 ARG 10 HH21 ARG 10 -9.674 8.707 1.097
80 HH22 ARG 10 HH22 ARG 10 -8.881 9.589 2.359
81 H CYS 11 HN CYS 11 -6.568 2.900 1.086
82 HA CYS 11 HA CYS 11 -5.113 1.795 -1.012
83 HB2 CYS 11 HB2 CYS 11 -4.389 2.172 1.410
84 HB3 CYS 11 HB1 CYS 11 -5.163 0.629 1.769
85 H LYS 12 HN LYS 12 -7.468 0.220 1.136
86 HA LYS 12 HA LYS 12 -7.303 -2.348 -0.040
87 HB2 LYS 12 HB2 LYS 12 -8.344 -1.908 2.166
88 HB3 LYS 12 HB1 LYS 12 -9.669 -1.074 1.355
89 HG2 LYS 12 HG2 LYS 12 -10.267 -3.116 0.150
90 HG3 LYS 12 HG1 LYS 12 -8.891 -3.963 0.858
91 HD2 LYS 12 HD2 LYS 12 -9.843 -3.604 3.116
92 HD3 LYS 12 HD1 LYS 12 -11.232 -2.793 2.390
93 HE2 LYS 12 HE2 LYS 12 -10.405 -5.640 1.757
94 HE3 LYS 12 HE1 LYS 12 -11.658 -5.210 2.921
95 HZ1 LYS 12 HZ1 LYS 12 -11.837 -5.380 0.108
96 HZ2 LYS 12 HZ2 LYS 12 -12.207 -3.797 0.603
97 HZ3 LYS 12 HZ3 LYS 12 -13.072 -5.112 1.239
98 H LYS 13 HN LYS 13 -9.420 0.428 -0.669
99 HA LYS 13 HA LYS 13 -11.061 -0.806 -2.606
100 HB2 LYS 13 HB2 LYS 13 -11.591 1.349 -1.479
101 HB3 LYS 13 HB1 LYS 13 -10.314 2.122 -2.420
102 HG2 LYS 13 HG2 LYS 13 -11.449 1.515 -4.507
103 HG3 LYS 13 HG1 LYS 13 -12.704 0.670 -3.599
104 HD2 LYS 13 HD2 LYS 13 -13.294 2.803 -2.470
105 HD3 LYS 13 HD1 LYS 13 -12.084 3.635 -3.447
106 HE2 LYS 13 HE2 LYS 13 -14.456 2.101 -4.552
107 HE3 LYS 13 HE1 LYS 13 -14.359 3.856 -4.415
108 HZ1 LYS 13 HZ1 LYS 13 -12.075 3.266 -5.694
109 HZ2 LYS 13 HZ2 LYS 13 -13.517 3.729 -6.466
110 HZ3 LYS 13 HZ3 LYS 13 -13.116 2.084 -6.324
111 H LEU 14 HN LEU 14 -7.991 0.934 -2.855
112 HA LEU 14 HA LEU 14 -7.855 1.079 -5.665
113 HB2 LEU 14 HB2 LEU 14 -5.759 1.003 -3.499
114 HB3 LEU 14 HB1 LEU 14 -5.337 1.188 -5.200
115 HG LEU 14 HG LEU 14 -7.376 3.003 -3.888
116 HD11 LEU 14 HD11 LEU 14 -4.362 3.151 -3.776
117 HD12 LEU 14 HD12 LEU 14 -5.538 3.462 -2.503
118 HD13 LEU 14 HD13 LEU 14 -5.321 4.633 -3.796
119 HD21 LEU 14 HD21 LEU 14 -6.373 4.557 -5.702
120 HD22 LEU 14 HD22 LEU 14 -7.385 3.228 -6.268
121 HD23 LEU 14 HD23 LEU 14 -5.626 3.102 -6.363
122 H LEU 15 HN LEU 15 -6.756 -1.393 -3.387
123 HA LEU 15 HA LEU 15 -5.516 -3.060 -5.319
124 HB2 LEU 15 HB2 LEU 15 -6.685 -3.663 -2.597
125 HB3 LEU 15 HB1 LEU 15 -5.759 -4.824 -3.553
126 HG LEU 15 HG LEU 15 -4.731 -2.090 -2.744
127 HD11 LEU 15 HD11 LEU 15 -3.393 -3.255 -1.059
128 HD12 LEU 15 HD12 LEU 15 -4.118 -4.793 -1.524
129 HD13 LEU 15 HD13 LEU 15 -5.111 -3.541 -0.776
130 HD21 LEU 15 HD21 LEU 15 -2.499 -3.477 -3.254
131 HD22 LEU 15 HD22 LEU 15 -3.384 -2.675 -4.546
132 HD23 LEU 15 HD23 LEU 15 -3.590 -4.408 -4.287
133 H ASP 16 HN ASP 16 -8.783 -2.927 -3.990
134 HA ASP 16 HA ASP 16 -9.773 -5.276 -5.201
135 HB2 ASP 16 HB2 ASP 16 -11.142 -2.751 -4.268
136 HB3 ASP 16 HB1 ASP 16 -12.020 -4.147 -4.891
137 H ASP 17 HN ASP 17 -9.560 -1.948 -6.322
138 HA ASP 17 HA ASP 17 -11.113 -2.252 -8.669
139 HB2 ASP 17 HB2 ASP 17 -8.944 -0.289 -7.917
140 HB3 ASP 17 HB1 ASP 17 -9.850 -0.195 -9.427
141 H SER 18 HN SER 18 -8.119 -3.538 -7.833
142 HA SER 18 HA SER 18 -6.679 -3.410 -10.221
143 HB2 SER 18 HB2 SER 18 -5.356 -5.198 -9.350
144 HB3 SER 18 HB1 SER 18 -5.879 -4.239 -7.969
145 HG SER 18 HG SER 18 -7.168 -5.808 -7.342
146 H SER 19 HN SER 19 -9.481 -5.150 -9.421
147 HA SER 19 HA SER 19 -9.177 -7.197 -11.438
148 HB2 SER 19 HB2 SER 19 -11.402 -7.901 -10.816
149 HB3 SER 19 HB1 SER 19 -10.510 -7.532 -9.342
150 HG SER 19 HG SER 19 -12.088 -6.201 -8.960
151 H SER 20 HN SER 20 -10.120 -3.984 -11.419
152 HA SER 20 HA SER 20 -11.940 -4.118 -13.674
153 HB2 SER 20 HB2 SER 20 -12.139 -2.361 -11.916
154 HB3 SER 20 HB1 SER 20 -10.605 -1.688 -12.459
155 HG SER 20 HG SER 20 -13.018 -1.251 -13.439
156 H1 LYS 1 HN LYS 1 -11.536 -3.305 -15.755
157 HA LYS 1 HA LYS 1 -8.856 -3.773 -16.711
158 HB2 LYS 1 HB2 LYS 1 -11.420 -2.950 -18.074
159 HB3 LYS 1 HB1 LYS 1 -9.890 -3.110 -18.937
160 HG2 LYS 1 HG2 LYS 1 -9.708 -5.453 -18.194
161 HG3 LYS 1 HG1 LYS 1 -11.232 -5.296 -17.320
162 HD2 LYS 1 HD2 LYS 1 -12.403 -4.800 -19.429
163 HD3 LYS 1 HD1 LYS 1 -10.882 -4.943 -20.312
164 HE2 LYS 1 HE2 LYS 1 -12.147 -7.158 -18.670
165 HE3 LYS 1 HE1 LYS 1 -12.231 -7.031 -20.427
166 HZ1 LYS 1 HZ1 LYS 1 -9.811 -7.404 -18.754
167 HZ2 LYS 1 HZ2 LYS 1 -9.747 -6.995 -20.403
168 HZ3 LYS 1 HZ3 LYS 1 -10.440 -8.467 -19.917
169 H ASN 2 HN ASN 2 -9.874 -1.333 -15.016
170 HA ASN 2 HA ASN 2 -9.440 0.970 -16.552
171 HB2 ASN 2 HB2 ASN 2 -9.082 2.108 -14.366
172 HB3 ASN 2 HB1 ASN 2 -10.509 1.074 -14.354
173 HD21 ASN 2 HD21 ASN 2 -9.149 1.798 -11.943
174 HD22 ASN 2 HD22 ASN 2 -8.446 0.396 -11.297
175 HA PRO 3 HA PRO 3 -5.055 1.028 -17.149
176 HB2 PRO 3 HB2 PRO 3 -4.570 3.753 -17.106
177 HB3 PRO 3 HB1 PRO 3 -5.310 2.904 -18.479
178 HG2 PRO 3 HG2 PRO 3 -6.624 4.465 -16.295
179 HG3 PRO 3 HG1 PRO 3 -6.972 4.451 -18.031
180 HD2 PRO 3 HD2 PRO 3 -8.492 3.085 -16.277
181 HD3 PRO 3 HD1 PRO 3 -8.186 2.470 -17.910
182 H GLU 4 HN GLU 4 -6.491 2.431 -14.344
183 HA GLU 4 HA GLU 4 -4.169 3.222 -12.941
184 HB2 GLU 4 HB2 GLU 4 -6.856 2.297 -11.899
185 HB3 GLU 4 HB1 GLU 4 -5.607 3.075 -10.926
186 HG2 GLU 4 HG2 GLU 4 -6.843 4.311 -13.401
187 HG3 GLU 4 HG1 GLU 4 -7.360 4.669 -11.755
188 H ALA 5 HN ALA 5 -5.314 0.167 -13.816
189 HA ALA 5 HA ALA 5 -4.557 -1.445 -11.654
190 HB1 ALA 5 HB1 ALA 5 -4.686 -3.271 -13.142
191 HB2 ALA 5 HB2 ALA 5 -4.230 -2.285 -14.532
192 HB3 ALA 5 HB3 ALA 5 -5.825 -2.097 -13.802
193 H GLU 6 HN GLU 6 -2.663 0.206 -14.057
194 HA GLU 6 HA GLU 6 -0.295 -1.305 -13.959
195 HB2 GLU 6 HB2 GLU 6 -0.766 1.646 -14.438
196 HB3 GLU 6 HB1 GLU 6 0.804 0.868 -14.638
197 HG2 GLU 6 HG2 GLU 6 -0.135 -0.655 -16.311
198 HG3 GLU 6 HG1 GLU 6 -1.734 0.049 -16.079
199 H GLU 7 HN GLU 7 -1.507 1.293 -11.881
200 HA GLU 7 HA GLU 7 0.845 1.667 -10.361
201 HB2 GLU 7 HB2 GLU 7 -1.126 3.215 -10.374
202 HB3 GLU 7 HB1 GLU 7 -2.014 2.018 -9.431
203 HG2 GLU 7 HG2 GLU 7 -1.064 3.665 -7.912
204 HG3 GLU 7 HG1 GLU 7 -0.223 2.135 -7.682
205 H ILE 8 HN ILE 8 -1.920 -0.498 -9.972
206 HA ILE 8 HA ILE 8 -1.200 -1.565 -7.451
207 HB ILE 8 HB ILE 8 -2.909 -2.583 -9.728
208 HG12 ILE 8 HG12 ILE 8 -4.695 -2.244 -8.036
209 HG13 ILE 8 HG11 ILE 8 -3.481 -1.717 -6.871
210 HG21 ILE 8 HG21 ILE 8 -2.100 -4.627 -8.835
211 HG22 ILE 8 HG22 ILE 8 -3.611 -4.361 -7.970
212 HG23 ILE 8 HG23 ILE 8 -2.073 -4.000 -7.190
213 HD11 ILE 8 HD11 ILE 8 -4.763 0.105 -8.196
214 HD12 ILE 8 HD12 ILE 8 -3.739 -0.361 -9.554
215 HD13 ILE 8 HD13 ILE 8 -3.011 0.256 -8.069
216 H THR 9 HN THR 9 -0.370 -2.491 -10.765
217 HA THR 9 HA THR 9 0.896 -4.925 -10.210
218 HB THR 9 HB THR 9 1.531 -2.888 -12.361
219 HG1 THR 9 HG1 THR 9 -0.521 -3.543 -12.648
220 HG21 THR 9 HG21 THR 9 3.373 -4.369 -12.292
221 HG22 THR 9 HG22 THR 9 2.324 -5.033 -13.543
222 HG23 THR 9 HG23 THR 9 2.350 -5.761 -11.938
223 H ARG 10 HN ARG 10 2.148 -1.608 -10.247
224 HA ARG 10 HA ARG 10 4.844 -2.294 -9.665
225 HB2 ARG 10 HB2 ARG 10 3.267 0.248 -9.253
226 HB3 ARG 10 HB1 ARG 10 4.986 0.116 -8.882
227 HG2 ARG 10 HG2 ARG 10 5.312 -0.704 -11.277
228 HG3 ARG 10 HG1 ARG 10 3.642 -0.220 -11.573
229 HD2 ARG 10 HD2 ARG 10 5.825 1.601 -10.536
230 HD3 ARG 10 HD1 ARG 10 5.252 1.557 -12.201
231 HE ARG 10 HE ARG 10 3.853 2.693 -9.904
232 HH11 ARG 10 HH11 ARG 10 1.995 3.884 -10.444
233 HH12 ARG 10 HH12 ARG 10 1.328 3.771 -12.038
234 HH21 ARG 10 HH21 ARG 10 3.740 1.557 -13.177
235 HH22 ARG 10 HH22 ARG 10 2.318 2.456 -13.587
236 H CYS 11 HN CYS 11 2.021 -1.611 -7.664
237 HA CYS 11 HA CYS 11 3.204 -1.354 -5.159
238 HB2 CYS 11 HB2 CYS 11 0.735 -1.144 -5.813
239 HB3 CYS 11 HB1 CYS 11 0.657 -2.894 -5.619
240 H LYS 12 HN LYS 12 2.182 -4.316 -6.838
241 HA LYS 12 HA LYS 12 2.991 -6.119 -4.813
242 HB2 LYS 12 HB2 LYS 12 1.478 -6.737 -6.671
243 HB3 LYS 12 HB1 LYS 12 2.824 -6.589 -7.801
244 HG2 LYS 12 HG2 LYS 12 4.043 -8.362 -6.627
245 HG3 LYS 12 HG1 LYS 12 2.755 -8.476 -5.426
246 HD2 LYS 12 HD2 LYS 12 1.161 -9.115 -7.206
247 HD3 LYS 12 HD1 LYS 12 2.465 -9.031 -8.392
248 HE2 LYS 12 HE2 LYS 12 2.498 -10.835 -5.957
249 HE3 LYS 12 HE1 LYS 12 2.020 -11.361 -7.571
250 HZ1 LYS 12 HZ1 LYS 12 4.621 -11.024 -6.506
251 HZ2 LYS 12 HZ2 LYS 12 4.423 -10.034 -7.872
252 HZ3 LYS 12 HZ3 LYS 12 4.153 -11.707 -7.985
253 H LYS 13 HN LYS 13 4.657 -4.829 -7.664
254 HA LYS 13 HA LYS 13 7.021 -6.353 -7.416
255 HB2 LYS 13 HB2 LYS 13 6.384 -5.067 -9.450
256 HB3 LYS 13 HB1 LYS 13 6.734 -3.573 -8.578
257 HG2 LYS 13 HG2 LYS 13 9.058 -4.270 -8.253
258 HG3 LYS 13 HG1 LYS 13 8.727 -5.812 -9.046
259 HD2 LYS 13 HD2 LYS 13 8.102 -4.584 -11.117
260 HD3 LYS 13 HD1 LYS 13 8.528 -3.068 -10.321
261 HE2 LYS 13 HE2 LYS 13 10.426 -5.393 -10.756
262 HE3 LYS 13 HE1 LYS 13 10.382 -3.927 -11.735
263 HZ1 LYS 13 HZ1 LYS 13 10.520 -2.958 -9.224
264 HZ2 LYS 13 HZ2 LYS 13 11.850 -3.161 -10.262
265 HZ3 LYS 13 HZ3 LYS 13 11.479 -4.351 -9.107
266 H LEU 14 HN LEU 14 6.047 -3.242 -6.052
267 HA LEU 14 HA LEU 14 8.527 -2.518 -4.929
268 HB2 LEU 14 HB2 LEU 14 5.670 -1.876 -4.198
269 HB3 LEU 14 HB1 LEU 14 7.038 -1.172 -3.339
270 HG LEU 14 HG LEU 14 6.835 -1.017 -6.357
271 HD11 LEU 14 HD11 LEU 14 5.476 0.694 -4.273
272 HD12 LEU 14 HD12 LEU 14 4.842 0.088 -5.801
273 HD13 LEU 14 HD13 LEU 14 6.000 1.411 -5.799
274 HD21 LEU 14 HD21 LEU 14 8.161 1.136 -5.809
275 HD22 LEU 14 HD22 LEU 14 9.008 -0.392 -5.576
276 HD23 LEU 14 HD23 LEU 14 8.343 0.471 -4.187
277 H LEU 15 HN LEU 15 5.833 -4.412 -3.642
278 HA LEU 15 HA LEU 15 6.926 -4.768 -1.048
279 HB2 LEU 15 HB2 LEU 15 4.934 -6.405 -2.629
280 HB3 LEU 15 HB1 LEU 15 5.316 -6.686 -0.928
281 HG LEU 15 HG LEU 15 4.323 -4.044 -2.034
282 HD11 LEU 15 HD11 LEU 15 2.161 -4.615 -1.059
283 HD12 LEU 15 HD12 LEU 15 2.793 -6.167 -0.511
284 HD13 LEU 15 HD13 LEU 15 2.627 -5.842 -2.237
285 HD21 LEU 15 HD21 LEU 15 3.749 -3.882 0.571
286 HD22 LEU 15 HD22 LEU 15 5.346 -3.454 -0.029
287 HD23 LEU 15 HD23 LEU 15 5.081 -5.036 0.704
288 H ASP 16 HN ASP 16 7.138 -6.636 -4.032
289 HA ASP 16 HA ASP 16 8.496 -8.873 -2.973
290 HB2 ASP 16 HB2 ASP 16 8.410 -7.687 -5.747
291 HB3 ASP 16 HB1 ASP 16 9.261 -9.184 -5.370
292 H ASP 17 HN ASP 17 9.637 -5.795 -4.236
293 HA ASP 17 HA ASP 17 12.398 -6.420 -4.285
294 HB2 ASP 17 HB2 ASP 17 10.919 -3.792 -4.100
295 HB3 ASP 17 HB1 ASP 17 12.674 -3.904 -4.220
296 H SER 18 HN SER 18 10.271 -6.053 -1.704
297 HA SER 18 HA SER 18 11.813 -4.724 0.208
298 HB2 SER 18 HB2 SER 18 10.340 -5.662 1.836
299 HB3 SER 18 HB1 SER 18 9.384 -5.409 0.380
300 HG SER 18 HG SER 18 9.325 -7.523 0.024
301 H SER 19 HN SER 19 12.174 -7.804 -1.174
302 HA SER 19 HA SER 19 13.716 -8.950 0.982
303 HB2 SER 19 HB2 SER 19 14.075 -10.825 -0.503
304 HB3 SER 19 HB1 SER 19 12.387 -10.337 -0.621
305 HG SER 19 HG SER 19 12.794 -10.132 -2.670
306 H SER 20 HN SER 20 14.333 -6.813 -1.528
307 HA SER 20 HA SER 20 17.140 -7.456 -1.872
308 HB2 SER 20 HB2 SER 20 15.772 -6.466 -3.709
309 HB3 SER 20 HB1 SER 20 15.641 -4.984 -2.766
310 HG SER 20 HG SER 20 17.603 -5.737 -4.369
311 H1 LYS 1 HN LYS 1 18.889 -6.195 -1.192
312 HA LYS 1 HA LYS 1 18.539 -4.938 1.375
313 HB2 LYS 1 HB2 LYS 1 20.948 -5.364 -0.393
314 HB3 LYS 1 HB1 LYS 1 21.030 -4.525 1.156
315 HG2 LYS 1 HG2 LYS 1 20.098 -6.515 2.284
316 HG3 LYS 1 HG1 LYS 1 20.023 -7.354 0.733
317 HD2 LYS 1 HD2 LYS 1 22.461 -7.156 0.488
318 HD3 LYS 1 HD1 LYS 1 22.554 -6.292 2.023
319 HE2 LYS 1 HE2 LYS 1 21.461 -9.103 1.706
320 HE3 LYS 1 HE1 LYS 1 23.098 -8.723 2.244
321 HZ1 LYS 1 HZ1 LYS 1 20.548 -8.024 3.585
322 HZ2 LYS 1 HZ2 LYS 1 22.044 -7.353 4.028
323 HZ3 LYS 1 HZ3 LYS 1 21.785 -9.025 4.171
324 H ASN 2 HN ASN 2 17.640 -3.822 -1.415
325 HA ASN 2 HA ASN 2 18.999 -1.406 -1.820
326 HB2 ASN 2 HB2 ASN 2 16.954 -0.704 -3.059
327 HB3 ASN 2 HB1 ASN 2 17.488 -2.322 -3.507
328 HD21 ASN 2 HD21 ASN 2 14.779 -1.458 -3.867
329 HD22 ASN 2 HD22 ASN 2 13.799 -2.359 -2.814
330 HA PRO 3 HA PRO 3 17.665 1.141 1.542
331 HB2 PRO 3 HB2 PRO 3 17.621 3.623 0.319
332 HB3 PRO 3 HB1 PRO 3 19.113 2.787 0.803
333 HG2 PRO 3 HG2 PRO 3 17.816 2.933 -1.886
334 HG3 PRO 3 HG1 PRO 3 19.530 3.063 -1.457
335 HD2 PRO 3 HD2 PRO 3 18.493 0.785 -2.456
336 HD3 PRO 3 HD1 PRO 3 19.793 0.760 -1.252
337 H GLU 4 HN GLU 4 15.855 0.969 -1.388
338 HA GLU 4 HA GLU 4 13.655 2.607 -0.708
339 HB2 GLU 4 HB2 GLU 4 13.798 0.191 -2.525
340 HB3 GLU 4 HB1 GLU 4 12.442 1.315 -2.446
341 HG2 GLU 4 HG2 GLU 4 15.289 2.130 -3.090
342 HG3 GLU 4 HG1 GLU 4 14.046 1.829 -4.304
343 H ALA 5 HN ALA 5 14.714 -0.341 0.552
344 HA ALA 5 HA ALA 5 12.330 -1.667 1.178
345 HB1 ALA 5 HB1 ALA 5 13.595 -2.944 2.699
346 HB2 ALA 5 HB2 ALA 5 14.710 -1.618 3.027
347 HB3 ALA 5 HB3 ALA 5 14.770 -2.458 1.477
348 H GLU 6 HN GLU 6 13.795 1.175 2.546
349 HA GLU 6 HA GLU 6 12.579 1.199 5.079
350 HB2 GLU 6 HB2 GLU 6 13.424 3.452 3.244
351 HB3 GLU 6 HB1 GLU 6 12.875 3.703 4.902
352 HG2 GLU 6 HG2 GLU 6 14.675 2.281 5.746
353 HG3 GLU 6 HG1 GLU 6 15.198 1.930 4.101
354 H GLU 7 HN GLU 7 11.414 2.275 1.911
355 HA GLU 7 HA GLU 7 9.059 3.555 2.811
356 HB2 GLU 7 HB2 GLU 7 10.026 3.770 0.510
357 HB3 GLU 7 HB1 GLU 7 9.484 2.124 0.175
358 HG2 GLU 7 HG2 GLU 7 7.813 3.674 -0.667
359 HG3 GLU 7 HG1 GLU 7 7.142 2.839 0.732
360 H ILE 8 HN ILE 8 9.759 0.214 1.895
361 HA ILE 8 HA ILE 8 7.108 -0.771 2.032
362 HB ILE 8 HB ILE 8 9.827 -2.070 2.275
363 HG12 ILE 8 HG12 ILE 8 9.109 -3.102 0.136
364 HG13 ILE 8 HG11 ILE 8 7.563 -2.261 0.255
365 HG21 ILE 8 HG21 ILE 8 8.551 -3.487 3.680
366 HG22 ILE 8 HG22 ILE 8 8.429 -4.258 2.102
367 HG23 ILE 8 HG23 ILE 8 7.093 -3.286 2.715
368 HD11 ILE 8 HD11 ILE 8 9.422 -1.185 -1.199
369 HD12 ILE 8 HD12 ILE 8 10.162 -0.730 0.336
370 HD13 ILE 8 HD13 ILE 8 8.548 -0.147 -0.075
371 H THR 9 HN THR 9 9.660 -0.423 4.461
372 HA THR 9 HA THR 9 8.441 -1.840 6.545
373 HB THR 9 HB THR 9 10.240 0.593 6.693
374 HG1 THR 9 HG1 THR 9 11.306 -1.017 5.662
375 HG21 THR 9 HG21 THR 9 9.287 0.347 8.842
376 HG22 THR 9 HG22 THR 9 10.817 -0.524 8.943
377 HG23 THR 9 HG23 THR 9 9.307 -1.414 8.743
378 H ARG 10 HN ARG 10 8.170 1.559 5.576
379 HA ARG 10 HA ARG 10 6.441 2.343 7.692
380 HB2 ARG 10 HB2 ARG 10 6.911 3.491 4.936
381 HB3 ARG 10 HB1 ARG 10 5.846 4.243 6.124
382 HG2 ARG 10 HG2 ARG 10 7.823 4.198 7.740
383 HG3 ARG 10 HG1 ARG 10 8.822 3.751 6.355
384 HD2 ARG 10 HD2 ARG 10 7.088 6.225 6.518
385 HD3 ARG 10 HD1 ARG 10 8.831 6.198 6.769
386 HE ARG 10 HE ARG 10 7.430 5.936 4.219
387 HH11 ARG 10 HH11 ARG 10 8.789 6.020 2.400
388 HH12 ARG 10 HH12 ARG 10 10.504 5.882 2.594
389 HH21 ARG 10 HH21 ARG 10 10.355 5.581 6.045
390 HH22 ARG 10 HH22 ARG 10 11.391 5.636 4.658
391 H CYS 11 HN CYS 11 5.895 0.987 4.481
392 HA CYS 11 HA CYS 11 3.152 1.352 4.215
393 HB2 CYS 11 HB2 CYS 11 4.812 0.300 2.568
394 HB3 CYS 11 HB1 CYS 11 4.550 -1.205 3.447
395 H LYS 12 HN LYS 12 4.893 -1.299 5.826
396 HA LYS 12 HA LYS 12 2.597 -2.726 6.659
397 HB2 LYS 12 HB2 LYS 12 4.883 -3.682 6.646
398 HB3 LYS 12 HB1 LYS 12 5.320 -2.614 7.979
399 HG2 LYS 12 HG2 LYS 12 3.617 -3.639 9.405
400 HG3 LYS 12 HG1 LYS 12 3.081 -4.658 8.069
401 HD2 LYS 12 HD2 LYS 12 5.326 -5.699 7.974
402 HD3 LYS 12 HD1 LYS 12 5.835 -4.701 9.336
403 HE2 LYS 12 HE2 LYS 12 3.501 -6.630 9.427
404 HE3 LYS 12 HE1 LYS 12 5.120 -7.010 10.010
405 HZ1 LYS 12 HZ1 LYS 12 3.068 -5.556 11.296
406 HZ2 LYS 12 HZ2 LYS 12 4.438 -4.567 11.114
407 HZ3 LYS 12 HZ3 LYS 12 4.565 -6.060 11.915
408 H LYS 13 HN LYS 13 4.541 -0.217 8.237
409 HA LYS 13 HA LYS 13 3.192 -0.225 10.717
410 HB2 LYS 13 HB2 LYS 13 5.389 0.874 10.314
411 HB3 LYS 13 HB1 LYS 13 4.563 2.116 9.372
412 HG2 LYS 13 HG2 LYS 13 3.218 2.739 11.325
413 HG3 LYS 13 HG1 LYS 13 3.973 1.458 12.274
414 HD2 LYS 13 HD2 LYS 13 6.186 2.533 11.927
415 HD3 LYS 13 HD1 LYS 13 5.392 3.842 11.050
416 HE2 LYS 13 HE2 LYS 13 4.798 3.072 13.921
417 HE3 LYS 13 HE1 LYS 13 5.804 4.433 13.430
418 HZ1 LYS 13 HZ1 LYS 13 3.574 4.828 11.988
419 HZ2 LYS 13 HZ2 LYS 13 3.892 5.559 13.488
420 HZ3 LYS 13 HZ3 LYS 13 2.932 4.160 13.409
421 H LEU 14 HN LEU 14 2.608 1.525 7.701
422 HA LEU 14 HA LEU 14 0.584 3.245 8.639
423 HB2 LEU 14 HB2 LEU 14 1.200 2.082 5.924
424 HB3 LEU 14 HB1 LEU 14 -0.109 3.236 6.175
425 HG LEU 14 HG LEU 14 2.708 3.828 7.119
426 HD11 LEU 14 HD11 LEU 14 1.546 4.070 4.344
427 HD12 LEU 14 HD12 LEU 14 3.160 3.562 4.838
428 HD13 LEU 14 HD13 LEU 14 2.720 5.263 4.904
429 HD21 LEU 14 HD21 LEU 14 1.808 6.205 6.644
430 HD22 LEU 14 HD22 LEU 14 1.118 5.367 8.033
431 HD23 LEU 14 HD23 LEU 14 0.219 5.453 6.516
432 H LEU 15 HN LEU 15 0.448 -0.011 7.273
433 HA LEU 15 HA LEU 15 -2.383 -0.210 7.252
434 HB2 LEU 15 HB2 LEU 15 -0.221 -2.322 7.356
435 HB3 LEU 15 HB1 LEU 15 -1.937 -2.676 7.135
436 HG LEU 15 HG LEU 15 -0.336 -0.830 5.338
437 HD11 LEU 15 HD11 LEU 15 -0.317 -2.652 3.719
438 HD12 LEU 15 HD12 LEU 15 -1.194 -3.691 4.842
439 HD13 LEU 15 HD13 LEU 15 0.454 -3.180 5.216
440 HD21 LEU 15 HD21 LEU 15 -2.423 -1.522 3.819
441 HD22 LEU 15 HD22 LEU 15 -2.543 -0.192 4.964
442 HD23 LEU 15 HD23 LEU 15 -3.194 -1.776 5.388
443 H ASP 16 HN ASP 16 0.078 -1.042 9.636
444 HA ASP 16 HA ASP 16 -1.619 -2.340 11.482
445 HB2 ASP 16 HB2 ASP 16 0.999 -0.877 11.823
446 HB3 ASP 16 HB1 ASP 16 0.187 -1.712 13.146
447 H ASP 17 HN ASP 17 -0.745 1.040 11.042
448 HA ASP 17 HA ASP 17 -1.930 2.039 13.409
449 HB2 ASP 17 HB2 ASP 17 -1.285 3.350 10.765
450 HB3 ASP 17 HB1 ASP 17 -1.925 4.232 12.151
451 H SER 18 HN SER 18 -3.318 0.679 10.667
452 HA SER 18 HA SER 18 -5.609 2.229 10.276
453 HB2 SER 18 HB2 SER 18 -6.508 0.347 9.115
454 HB3 SER 18 HB1 SER 18 -4.770 0.324 8.839
455 HG SER 18 HG SER 18 -4.570 -1.382 10.116
456 H SER 19 HN SER 19 -4.733 0.182 12.837
457 HA SER 19 HA SER 19 -7.418 -0.350 13.761
458 HB2 SER 19 HB2 SER 19 -6.365 -1.400 15.670
459 HB3 SER 19 HB1 SER 19 -5.504 -1.891 14.213
460 HG SER 19 HG SER 19 -3.815 -1.108 15.181
461 H SER 20 HN SER 20 -5.300 2.238 13.956
462 HA SER 20 HA SER 20 -6.234 3.288 16.495
463 HB2 SER 20 HB2 SER 20 -3.932 3.733 15.603
464 HB3 SER 20 HB1 SER 20 -4.665 4.719 14.341
465 HG SER 20 HG SER 20 -4.054 5.421 16.811
466 H2 ZBR 100 HA3 TBS 100 -1.508 0.905 -2.237
467 H4 ZBR 100 HC3 TBS 100 0.252 1.578 1.653
468 H6 ZBR 100 HB3 TBS 100 2.682 0.064 -1.593
469 H7 ZBR 100 HB11 TBS 100 1.561 0.485 -3.969
470 H7A ZBR 100 HB12 TBS 100 -0.187 0.214 -4.044
471 H8 ZBR 100 HA11 TBS 100 -2.527 2.476 -0.388
472 H8A ZBR 100 HA12 TBS 100 -1.977 2.203 1.271
473 H9 ZBR 100 HC11 TBS 100 2.891 1.724 1.553
474 H9A ZBR 100 HC12 TBS 100 3.696 0.594 0.455
Start of MODEL 3
1 H1 LYS 1 HN LYS 1 -7.426 5.316 16.322
2 HA LYS 1 HA LYS 1 -9.321 5.851 14.237
3 HB2 LYS 1 HB2 LYS 1 -8.757 7.239 16.866
4 HB3 LYS 1 HB1 LYS 1 -10.074 7.688 15.780
5 HG2 LYS 1 HG2 LYS 1 -10.984 5.401 15.933
6 HG3 LYS 1 HG1 LYS 1 -9.674 4.954 17.025
7 HD2 LYS 1 HD2 LYS 1 -10.429 6.660 18.638
8 HD3 LYS 1 HD1 LYS 1 -11.740 7.111 17.547
9 HE2 LYS 1 HE2 LYS 1 -12.658 4.828 17.697
10 HE3 LYS 1 HE1 LYS 1 -11.347 4.370 18.785
11 HZ1 LYS 1 HZ1 LYS 1 -12.146 5.733 20.458
12 HZ2 LYS 1 HZ2 LYS 1 -13.570 5.087 19.794
13 HZ3 LYS 1 HZ3 LYS 1 -13.089 6.668 19.402
14 H ASN 2 HN ASN 2 -6.264 6.425 14.101
15 HA ASN 2 HA ASN 2 -5.904 9.160 13.879
16 HB2 ASN 2 HB2 ASN 2 -3.975 8.603 12.385
17 HB3 ASN 2 HB1 ASN 2 -3.985 7.728 13.915
18 HD21 ASN 2 HD21 ASN 2 -2.733 6.829 11.350
19 HD22 ASN 2 HD22 ASN 2 -3.497 5.367 10.956
20 HA PRO 3 HA PRO 3 -8.058 10.439 10.185
21 HB2 PRO 3 HB2 PRO 3 -5.573 11.931 9.415
22 HB3 PRO 3 HB1 PRO 3 -7.234 12.528 9.609
23 HG2 PRO 3 HG2 PRO 3 -5.383 13.061 11.425
24 HG3 PRO 3 HG1 PRO 3 -7.049 12.682 11.910
25 HD2 PRO 3 HD2 PRO 3 -4.605 10.929 12.020
26 HD3 PRO 3 HD1 PRO 3 -5.947 11.097 13.174
27 H GLU 4 HN GLU 4 -4.800 9.172 9.906
28 HA GLU 4 HA GLU 4 -4.671 8.833 7.114
29 HB2 GLU 4 HB2 GLU 4 -3.339 7.237 9.309
30 HB3 GLU 4 HB1 GLU 4 -2.905 7.163 7.606
31 HG2 GLU 4 HG2 GLU 4 -2.893 9.722 9.223
32 HG3 GLU 4 HG1 GLU 4 -1.467 8.716 8.981
33 H ALA 5 HN ALA 5 -6.614 7.302 9.413
34 HA ALA 5 HA ALA 5 -6.814 4.678 8.459
35 HB1 ALA 5 HB1 ALA 5 -9.055 6.377 9.586
36 HB2 ALA 5 HB2 ALA 5 -7.853 5.540 10.567
37 HB3 ALA 5 HB3 ALA 5 -8.974 4.616 9.569
38 H GLU 6 HN GLU 6 -8.252 7.682 7.303
39 HA GLU 6 HA GLU 6 -10.160 6.575 5.542
40 HB2 GLU 6 HB2 GLU 6 -8.621 9.179 5.465
41 HB3 GLU 6 HB1 GLU 6 -9.921 8.785 4.340
42 HG2 GLU 6 HG2 GLU 6 -11.495 8.532 6.190
43 HG3 GLU 6 HG1 GLU 6 -10.204 8.809 7.358
44 H GLU 7 HN GLU 7 -6.729 7.346 5.153
45 HA GLU 7 HA GLU 7 -6.579 6.844 2.376
46 HB2 GLU 7 HB2 GLU 7 -4.846 8.040 3.822
47 HB3 GLU 7 HB1 GLU 7 -4.313 6.434 4.321
48 HG2 GLU 7 HG2 GLU 7 -2.938 7.107 2.451
49 HG3 GLU 7 HG1 GLU 7 -4.038 5.853 1.880
50 H ILE 8 HN ILE 8 -6.297 4.798 5.213
51 HA ILE 8 HA ILE 8 -5.286 2.470 3.937
52 HB ILE 8 HB ILE 8 -7.151 2.624 6.327
53 HG12 ILE 8 HG12 ILE 8 -5.227 4.062 6.678
54 HG13 ILE 8 HG11 ILE 8 -5.032 2.622 7.657
55 HG21 ILE 8 HG21 ILE 8 -6.066 0.368 4.933
56 HG22 ILE 8 HG22 ILE 8 -6.912 0.362 6.474
57 HG23 ILE 8 HG23 ILE 8 -5.162 0.503 6.435
58 HD11 ILE 8 HD11 ILE 8 -3.690 1.735 5.572
59 HD12 ILE 8 HD12 ILE 8 -2.918 2.840 6.706
60 HD13 ILE 8 HD13 ILE 8 -3.555 3.449 5.179
61 H THR 9 HN THR 9 -8.598 3.638 4.488
62 HA THR 9 HA THR 9 -9.959 1.382 3.488
63 HB THR 9 HB THR 9 -10.779 4.299 3.433
64 HG1 THR 9 HG1 THR 9 -10.633 3.792 5.507
65 HG21 THR 9 HG21 THR 9 -13.101 3.207 3.426
66 HG22 THR 9 HG22 THR 9 -12.279 1.724 2.941
67 HG23 THR 9 HG23 THR 9 -12.200 3.154 1.911
68 H ARG 10 HN ARG 10 -8.717 4.292 1.893
69 HA ARG 10 HA ARG 10 -9.734 3.763 -0.691
70 HB2 ARG 10 HB2 ARG 10 -7.330 5.323 0.272
71 HB3 ARG 10 HB1 ARG 10 -7.811 5.255 -1.422
72 HG2 ARG 10 HG2 ARG 10 -9.957 6.241 -0.932
73 HG3 ARG 10 HG1 ARG 10 -9.671 6.120 0.805
74 HD2 ARG 10 HD2 ARG 10 -9.269 8.418 -0.063
75 HD3 ARG 10 HD1 ARG 10 -7.831 7.709 0.653
76 HE ARG 10 HE ARG 10 -6.837 7.658 -1.453
77 HH11 ARG 10 HH11 ARG 10 -6.774 8.242 -3.648
78 HH12 ARG 10 HH12 ARG 10 -8.224 8.746 -4.452
79 HH21 ARG 10 HH21 ARG 10 -10.223 8.374 -1.642
80 HH22 ARG 10 HH22 ARG 10 -10.177 8.822 -3.315
81 H CYS 11 HN CYS 11 -6.750 2.799 0.934
82 HA CYS 11 HA CYS 11 -5.401 1.660 -1.237
83 HB2 CYS 11 HB2 CYS 11 -4.560 2.061 1.145
84 HB3 CYS 11 HB1 CYS 11 -5.338 0.535 1.556
85 H LYS 12 HN LYS 12 -7.757 0.228 1.011
86 HA LYS 12 HA LYS 12 -7.641 -2.398 -0.014
87 HB2 LYS 12 HB2 LYS 12 -9.848 -0.893 1.404
88 HB3 LYS 12 HB1 LYS 12 -9.946 -2.609 1.006
89 HG2 LYS 12 HG2 LYS 12 -7.875 -3.019 2.296
90 HG3 LYS 12 HG1 LYS 12 -7.801 -1.306 2.710
91 HD2 LYS 12 HD2 LYS 12 -9.981 -1.473 3.842
92 HD3 LYS 12 HD1 LYS 12 -10.075 -3.183 3.420
93 HE2 LYS 12 HE2 LYS 12 -8.016 -3.616 4.711
94 HE3 LYS 12 HE1 LYS 12 -7.927 -1.908 5.139
95 HZ1 LYS 12 HZ1 LYS 12 -10.291 -3.586 5.742
96 HZ2 LYS 12 HZ2 LYS 12 -9.907 -2.054 6.371
97 HZ3 LYS 12 HZ3 LYS 12 -8.995 -3.415 6.823
98 H LYS 13 HN LYS 13 -9.663 0.389 -0.874
99 HA LYS 13 HA LYS 13 -11.274 -0.966 -2.763
100 HB2 LYS 13 HB2 LYS 13 -10.546 1.950 -2.465
101 HB3 LYS 13 HB1 LYS 13 -11.682 1.358 -3.678
102 HG2 LYS 13 HG2 LYS 13 -13.058 0.348 -1.887
103 HG3 LYS 13 HG1 LYS 13 -11.932 0.969 -0.680
104 HD2 LYS 13 HD2 LYS 13 -12.400 3.277 -1.441
105 HD3 LYS 13 HD1 LYS 13 -13.547 2.647 -2.624
106 HE2 LYS 13 HE2 LYS 13 -13.754 2.272 0.380
107 HE3 LYS 13 HE1 LYS 13 -14.697 3.419 -0.572
108 HZ1 LYS 13 HZ1 LYS 13 -16.036 1.523 -0.333
109 HZ2 LYS 13 HZ2 LYS 13 -14.760 0.462 -0.697
110 HZ3 LYS 13 HZ3 LYS 13 -15.430 1.439 -1.915
111 H LEU 14 HN LEU 14 -8.197 0.743 -3.038
112 HA LEU 14 HA LEU 14 -7.988 0.682 -5.848
113 HB2 LEU 14 HB2 LEU 14 -5.992 0.829 -3.591
114 HB3 LEU 14 HB1 LEU 14 -5.458 0.796 -5.267
115 HG LEU 14 HG LEU 14 -7.563 2.781 -4.375
116 HD11 LEU 14 HD11 LEU 14 -5.808 3.291 -2.846
117 HD12 LEU 14 HD12 LEU 14 -5.563 4.405 -4.186
118 HD13 LEU 14 HD13 LEU 14 -4.559 2.961 -4.044
119 HD21 LEU 14 HD21 LEU 14 -7.229 2.626 -6.777
120 HD22 LEU 14 HD22 LEU 14 -5.476 2.681 -6.580
121 HD23 LEU 14 HD23 LEU 14 -6.450 4.104 -6.226
122 H LEU 15 HN LEU 15 -6.912 -1.607 -3.353
123 HA LEU 15 HA LEU 15 -5.612 -3.389 -5.119
124 HB2 LEU 15 HB2 LEU 15 -6.895 -3.781 -2.410
125 HB3 LEU 15 HB1 LEU 15 -5.976 -5.041 -3.231
126 HG LEU 15 HG LEU 15 -4.884 -2.275 -2.628
127 HD11 LEU 15 HD11 LEU 15 -3.606 -3.419 -0.810
128 HD12 LEU 15 HD12 LEU 15 -4.574 -4.868 -1.088
129 HD13 LEU 15 HD13 LEU 15 -5.345 -3.384 -0.523
130 HD21 LEU 15 HD21 LEU 15 -3.477 -3.090 -4.293
131 HD22 LEU 15 HD22 LEU 15 -3.761 -4.776 -3.867
132 HD23 LEU 15 HD23 LEU 15 -2.689 -3.788 -2.883
133 H ASP 16 HN ASP 16 -8.938 -3.253 -3.894
134 HA ASP 16 HA ASP 16 -9.811 -5.632 -5.180
135 HB2 ASP 16 HB2 ASP 16 -11.282 -3.225 -4.104
136 HB3 ASP 16 HB1 ASP 16 -12.111 -4.611 -4.813
137 H ASP 17 HN ASP 17 -9.817 -2.230 -6.095
138 HA ASP 17 HA ASP 17 -11.262 -2.576 -8.525
139 HB2 ASP 17 HB2 ASP 17 -9.463 -0.362 -7.523
140 HB3 ASP 17 HB1 ASP 17 -10.318 -0.293 -9.063
141 H SER 18 HN SER 18 -8.148 -3.419 -7.593
142 HA SER 18 HA SER 18 -6.633 -2.910 -9.880
143 HB2 SER 18 HB2 SER 18 -5.098 -4.539 -9.052
144 HB3 SER 18 HB1 SER 18 -5.828 -3.780 -7.638
145 HG SER 18 HG SER 18 -5.774 -6.319 -8.196
146 H SER 19 HN SER 19 -9.190 -5.101 -9.355
147 HA SER 19 HA SER 19 -8.469 -6.919 -11.488
148 HB2 SER 19 HB2 SER 19 -10.591 -7.990 -11.054
149 HB3 SER 19 HB1 SER 19 -9.832 -7.615 -9.510
150 HG SER 19 HG SER 19 -11.188 -5.488 -10.165
151 H SER 20 HN SER 20 -9.879 -3.891 -11.283
152 HA SER 20 HA SER 20 -11.535 -4.077 -13.653
153 HB2 SER 20 HB2 SER 20 -10.672 -1.653 -12.062
154 HB3 SER 20 HB1 SER 20 -11.873 -1.663 -13.351
155 HG SER 20 HG SER 20 -12.566 -1.906 -11.027
156 H1 LYS 1 HN LYS 1 -11.151 -2.970 -15.613
157 HA LYS 1 HA LYS 1 -8.424 -3.080 -16.487
158 HB2 LYS 1 HB2 LYS 1 -10.950 -2.132 -17.855
159 HB3 LYS 1 HB1 LYS 1 -9.375 -2.225 -18.648
160 HG2 LYS 1 HG2 LYS 1 -9.256 -4.633 -18.137
161 HG3 LYS 1 HG1 LYS 1 -10.830 -4.545 -17.346
162 HD2 LYS 1 HD2 LYS 1 -11.858 -3.815 -19.466
163 HD3 LYS 1 HD1 LYS 1 -10.284 -3.906 -20.260
164 HE2 LYS 1 HE2 LYS 1 -10.159 -6.315 -19.749
165 HE3 LYS 1 HE1 LYS 1 -11.729 -6.229 -18.950
166 HZ1 LYS 1 HZ1 LYS 1 -12.815 -5.839 -20.936
167 HZ2 LYS 1 HZ2 LYS 1 -11.626 -6.964 -21.392
168 HZ3 LYS 1 HZ3 LYS 1 -11.413 -5.314 -21.734
169 H ASN 2 HN ASN 2 -9.592 -1.008 -14.471
170 HA ASN 2 HA ASN 2 -9.377 1.509 -15.606
171 HB2 ASN 2 HB2 ASN 2 -8.924 2.326 -13.289
172 HB3 ASN 2 HB1 ASN 2 -10.337 1.281 -13.420
173 HD21 ASN 2 HD21 ASN 2 -8.622 1.693 -10.996
174 HD22 ASN 2 HD22 ASN 2 -8.015 0.160 -10.603
175 HA PRO 3 HA PRO 3 -5.042 2.168 -16.433
176 HB2 PRO 3 HB2 PRO 3 -5.327 4.847 -15.117
177 HB3 PRO 3 HB1 PRO 3 -4.749 4.445 -16.746
178 HG2 PRO 3 HG2 PRO 3 -7.149 5.506 -16.382
179 HG3 PRO 3 HG1 PRO 3 -6.891 4.235 -17.597
180 HD2 PRO 3 HD2 PRO 3 -8.153 4.014 -14.873
181 HD3 PRO 3 HD1 PRO 3 -8.603 3.244 -16.411
182 H GLU 4 HN GLU 4 -6.279 2.864 -13.226
183 HA GLU 4 HA GLU 4 -3.847 3.182 -11.842
184 HB2 GLU 4 HB2 GLU 4 -6.500 2.117 -10.860
185 HB3 GLU 4 HB1 GLU 4 -5.164 2.598 -9.824
186 HG2 GLU 4 HG2 GLU 4 -6.502 4.430 -11.830
187 HG3 GLU 4 HG1 GLU 4 -6.895 4.390 -10.112
188 H ALA 5 HN ALA 5 -5.170 0.463 -13.346
189 HA ALA 5 HA ALA 5 -4.396 -1.650 -11.680
190 HB1 ALA 5 HB1 ALA 5 -4.309 -1.622 -14.709
191 HB2 ALA 5 HB2 ALA 5 -5.783 -1.847 -13.766
192 HB3 ALA 5 HB3 ALA 5 -4.482 -3.033 -13.666
193 H GLU 6 HN GLU 6 -2.540 0.330 -13.934
194 HA GLU 6 HA GLU 6 -0.203 -1.250 -14.037
195 HB2 GLU 6 HB2 GLU 6 -0.629 1.733 -14.302
196 HB3 GLU 6 HB1 GLU 6 0.920 0.943 -14.598
197 HG2 GLU 6 HG2 GLU 6 -0.077 -0.435 -16.349
198 HG3 GLU 6 HG1 GLU 6 -1.668 0.247 -16.015
199 H GLU 7 HN GLU 7 -1.285 1.251 -11.781
200 HA GLU 7 HA GLU 7 1.115 1.436 -10.299
201 HB2 GLU 7 HB2 GLU 7 -0.863 3.051 -10.242
202 HB3 GLU 7 HB1 GLU 7 -1.641 1.891 -9.164
203 HG2 GLU 7 HG2 GLU 7 -0.512 3.522 -7.785
204 HG3 GLU 7 HG1 GLU 7 0.403 2.018 -7.686
205 H ILE 8 HN ILE 8 -1.685 -0.666 -10.090
206 HA ILE 8 HA ILE 8 -1.119 -1.846 -7.571
207 HB ILE 8 HB ILE 8 -2.460 -3.130 -9.971
208 HG12 ILE 8 HG12 ILE 8 -3.507 -0.998 -9.462
209 HG13 ILE 8 HG11 ILE 8 -4.566 -2.279 -8.922
210 HG21 ILE 8 HG21 ILE 8 -1.808 -4.187 -7.385
211 HG22 ILE 8 HG22 ILE 8 -2.818 -4.929 -8.616
212 HG23 ILE 8 HG23 ILE 8 -3.542 -3.906 -7.386
213 HD11 ILE 8 HD11 ILE 8 -3.316 -1.947 -6.623
214 HD12 ILE 8 HD12 ILE 8 -4.607 -0.847 -7.093
215 HD13 ILE 8 HD13 ILE 8 -2.924 -0.369 -7.302
216 H THR 9 HN THR 9 -0.114 -2.683 -10.874
217 HA THR 9 HA THR 9 1.224 -5.084 -10.261
218 HB THR 9 HB THR 9 1.824 -3.055 -12.433
219 HG1 THR 9 HG1 THR 9 -0.137 -3.779 -12.880
220 HG21 THR 9 HG21 THR 9 2.750 -5.163 -13.561
221 HG22 THR 9 HG22 THR 9 2.726 -5.898 -11.959
222 HG23 THR 9 HG23 THR 9 3.724 -4.476 -12.261
223 H ARG 10 HN ARG 10 2.313 -1.711 -10.287
224 HA ARG 10 HA ARG 10 5.041 -2.194 -9.723
225 HB2 ARG 10 HB2 ARG 10 3.231 0.166 -9.180
226 HB3 ARG 10 HB1 ARG 10 4.957 0.180 -8.816
227 HG2 ARG 10 HG2 ARG 10 5.528 -0.184 -11.128
228 HG3 ARG 10 HG1 ARG 10 3.841 -0.477 -11.553
229 HD2 ARG 10 HD2 ARG 10 4.582 1.819 -12.161
230 HD3 ARG 10 HD1 ARG 10 3.264 1.827 -11.001
231 HE ARG 10 HE ARG 10 4.710 2.706 -9.401
232 HH11 ARG 10 HH11 ARG 10 6.683 3.660 -8.801
233 HH12 ARG 10 HH12 ARG 10 8.071 3.494 -9.824
234 HH21 ARG 10 HH21 ARG 10 6.409 1.602 -12.211
235 HH22 ARG 10 HH22 ARG 10 7.915 2.327 -11.757
236 H CYS 11 HN CYS 11 2.224 -1.757 -7.629
237 HA CYS 11 HA CYS 11 3.520 -1.606 -5.155
238 HB2 CYS 11 HB2 CYS 11 1.027 -1.314 -5.729
239 HB3 CYS 11 HB1 CYS 11 0.918 -3.063 -5.555
240 H LYS 12 HN LYS 12 2.426 -4.445 -6.996
241 HA LYS 12 HA LYS 12 3.132 -6.386 -5.075
242 HB2 LYS 12 HB2 LYS 12 2.905 -6.522 -8.086
243 HB3 LYS 12 HB1 LYS 12 3.210 -7.936 -7.077
244 HG2 LYS 12 HG2 LYS 12 1.126 -7.482 -5.822
245 HG3 LYS 12 HG1 LYS 12 0.819 -6.081 -6.850
246 HD2 LYS 12 HD2 LYS 12 0.732 -7.533 -8.832
247 HD3 LYS 12 HD1 LYS 12 1.068 -8.943 -7.826
248 HE2 LYS 12 HE2 LYS 12 -1.009 -8.528 -6.554
249 HE3 LYS 12 HE1 LYS 12 -1.348 -7.126 -7.568
250 HZ1 LYS 12 HZ1 LYS 12 -0.956 -9.850 -8.666
251 HZ2 LYS 12 HZ2 LYS 12 -1.588 -8.487 -9.460
252 HZ3 LYS 12 HZ3 LYS 12 -2.481 -9.246 -8.229
253 H LYS 13 HN LYS 13 4.960 -4.940 -7.751
254 HA LYS 13 HA LYS 13 7.270 -6.546 -7.454
255 HB2 LYS 13 HB2 LYS 13 6.869 -3.792 -8.628
256 HB3 LYS 13 HB1 LYS 13 8.416 -4.642 -8.666
257 HG2 LYS 13 HG2 LYS 13 7.340 -6.536 -9.836
258 HG3 LYS 13 HG1 LYS 13 5.802 -5.671 -9.815
259 HD2 LYS 13 HD2 LYS 13 6.818 -3.840 -11.127
260 HD3 LYS 13 HD1 LYS 13 8.347 -4.717 -11.162
261 HE2 LYS 13 HE2 LYS 13 5.722 -5.732 -12.294
262 HE3 LYS 13 HE1 LYS 13 7.055 -5.075 -13.242
263 HZ1 LYS 13 HZ1 LYS 13 7.318 -7.394 -13.280
264 HZ2 LYS 13 HZ2 LYS 13 7.024 -7.547 -11.613
265 HZ3 LYS 13 HZ3 LYS 13 8.466 -6.838 -12.163
266 H LEU 14 HN LEU 14 6.293 -3.476 -6.010
267 HA LEU 14 HA LEU 14 8.724 -2.884 -4.715
268 HB2 LEU 14 HB2 LEU 14 5.841 -2.157 -4.208
269 HB3 LEU 14 HB1 LEU 14 7.119 -1.586 -3.141
270 HG LEU 14 HG LEU 14 7.340 -1.200 -6.136
271 HD11 LEU 14 HD11 LEU 14 5.245 -0.149 -5.719
272 HD12 LEU 14 HD12 LEU 14 6.417 1.160 -5.622
273 HD13 LEU 14 HD13 LEU 14 5.765 0.449 -4.145
274 HD21 LEU 14 HD21 LEU 14 9.355 -0.695 -4.884
275 HD22 LEU 14 HD22 LEU 14 8.439 0.212 -3.680
276 HD23 LEU 14 HD23 LEU 14 8.611 0.839 -5.316
277 H LEU 15 HN LEU 15 5.870 -4.712 -3.651
278 HA LEU 15 HA LEU 15 6.781 -5.188 -1.019
279 HB2 LEU 15 HB2 LEU 15 4.881 -6.705 -2.815
280 HB3 LEU 15 HB1 LEU 15 5.134 -7.106 -1.119
281 HG LEU 15 HG LEU 15 4.290 -4.362 -2.101
282 HD11 LEU 15 HD11 LEU 15 2.033 -4.995 -1.242
283 HD12 LEU 15 HD12 LEU 15 2.615 -6.645 -1.020
284 HD13 LEU 15 HD13 LEU 15 2.534 -5.947 -2.639
285 HD21 LEU 15 HD21 LEU 15 5.134 -3.974 0.035
286 HD22 LEU 15 HD22 LEU 15 4.743 -5.595 0.608
287 HD23 LEU 15 HD23 LEU 15 3.473 -4.388 0.438
288 H ASP 16 HN ASP 16 7.131 -7.026 -4.033
289 HA ASP 16 HA ASP 16 8.514 -9.219 -2.867
290 HB2 ASP 16 HB2 ASP 16 8.343 -8.174 -5.695
291 HB3 ASP 16 HB1 ASP 16 9.251 -9.625 -5.265
292 H ASP 17 HN ASP 17 9.554 -6.209 -4.373
293 HA ASP 17 HA ASP 17 12.345 -6.776 -4.283
294 HB2 ASP 17 HB2 ASP 17 10.797 -4.198 -4.581
295 HB3 ASP 17 HB1 ASP 17 12.558 -4.276 -4.624
296 H SER 18 HN SER 18 10.096 -6.038 -1.896
297 HA SER 18 HA SER 18 11.537 -4.394 -0.160
298 HB2 SER 18 HB2 SER 18 10.020 -5.100 1.543
299 HB3 SER 18 HB1 SER 18 9.110 -5.105 0.034
300 HG SER 18 HG SER 18 9.365 -7.086 1.672
301 H SER 19 HN SER 19 12.022 -7.649 -1.049
302 HA SER 19 HA SER 19 13.501 -8.390 1.327
303 HB2 SER 19 HB2 SER 19 13.946 -10.471 0.195
304 HB3 SER 19 HB1 SER 19 12.265 -10.041 -0.103
305 HG SER 19 HG SER 19 13.604 -8.865 -1.988
306 H SER 20 HN SER 20 14.137 -6.651 -1.465
307 HA SER 20 HA SER 20 16.973 -7.221 -1.628
308 HB2 SER 20 HB2 SER 20 15.349 -5.053 -2.975
309 HB3 SER 20 HB1 SER 20 17.017 -5.477 -3.348
310 HG SER 20 HG SER 20 15.316 -6.468 -4.683
311 H1 LYS 1 HN LYS 1 18.642 -5.744 -1.167
312 HA LYS 1 HA LYS 1 18.225 -4.200 1.216
313 HB2 LYS 1 HB2 LYS 1 20.628 -4.516 -0.598
314 HB3 LYS 1 HB1 LYS 1 20.642 -3.583 0.900
315 HG2 LYS 1 HG2 LYS 1 19.962 -5.589 2.161
316 HG3 LYS 1 HG1 LYS 1 19.953 -6.526 0.666
317 HD2 LYS 1 HD2 LYS 1 22.354 -6.055 0.352
318 HD3 LYS 1 HD1 LYS 1 22.366 -5.120 1.849
319 HE2 LYS 1 HE2 LYS 1 21.686 -7.126 3.113
320 HE3 LYS 1 HE1 LYS 1 21.671 -8.063 1.619
321 HZ1 LYS 1 HZ1 LYS 1 23.954 -7.925 1.408
322 HZ2 LYS 1 HZ2 LYS 1 23.758 -8.117 3.084
323 HZ3 LYS 1 HZ3 LYS 1 24.084 -6.582 2.435
324 H ASN 2 HN ASN 2 17.080 -3.533 -1.600
325 HA ASN 2 HA ASN 2 18.184 -1.144 -2.447
326 HB2 ASN 2 HB2 ASN 2 15.958 -0.683 -3.487
327 HB3 ASN 2 HB1 ASN 2 16.613 -2.277 -3.859
328 HD21 ASN 2 HD21 ASN 2 13.725 -1.519 -3.818
329 HD22 ASN 2 HD22 ASN 2 13.005 -2.507 -2.644
330 HA PRO 3 HA PRO 3 17.110 1.927 0.605
331 HB2 PRO 3 HB2 PRO 3 16.225 3.686 -1.656
332 HB3 PRO 3 HB1 PRO 3 17.420 4.001 -0.382
333 HG2 PRO 3 HG2 PRO 3 18.189 3.478 -2.862
334 HG3 PRO 3 HG1 PRO 3 19.090 2.833 -1.476
335 HD2 PRO 3 HD2 PRO 3 17.164 1.414 -3.302
336 HD3 PRO 3 HD1 PRO 3 18.691 0.850 -2.586
337 H GLU 4 HN GLU 4 14.803 1.162 -1.923
338 HA GLU 4 HA GLU 4 12.531 2.474 -0.897
339 HB2 GLU 4 HB2 GLU 4 12.716 -0.042 -2.562
340 HB3 GLU 4 HB1 GLU 4 11.241 0.875 -2.284
341 HG2 GLU 4 HG2 GLU 4 13.752 2.021 -3.538
342 HG3 GLU 4 HG1 GLU 4 12.364 1.436 -4.453
343 H ALA 5 HN ALA 5 14.272 -0.161 0.308
344 HA ALA 5 HA ALA 5 12.297 -1.786 1.443
345 HB1 ALA 5 HB1 ALA 5 14.986 -1.110 2.663
346 HB2 ALA 5 HB2 ALA 5 14.759 -2.284 1.367
347 HB3 ALA 5 HB3 ALA 5 14.027 -2.563 2.947
348 H GLU 6 HN GLU 6 13.652 1.294 2.493
349 HA GLU 6 HA GLU 6 12.632 1.315 5.126
350 HB2 GLU 6 HB2 GLU 6 13.261 3.552 3.188
351 HB3 GLU 6 HB1 GLU 6 12.803 3.827 4.871
352 HG2 GLU 6 HG2 GLU 6 14.712 2.515 5.642
353 HG3 GLU 6 HG1 GLU 6 15.144 2.117 3.981
354 H GLU 7 HN GLU 7 11.237 2.299 2.027
355 HA GLU 7 HA GLU 7 8.881 3.461 3.068
356 HB2 GLU 7 HB2 GLU 7 9.791 3.687 0.692
357 HB3 GLU 7 HB1 GLU 7 9.084 2.101 0.384
358 HG2 GLU 7 HG2 GLU 7 7.461 3.764 -0.283
359 HG3 GLU 7 HG1 GLU 7 6.877 3.013 1.202
360 H ILE 8 HN ILE 8 9.762 0.179 2.198
361 HA ILE 8 HA ILE 8 7.172 -0.980 2.306
362 HB ILE 8 HB ILE 8 9.825 -2.268 3.028
363 HG12 ILE 8 HG12 ILE 8 9.976 -1.223 0.845
364 HG13 ILE 8 HG11 ILE 8 9.850 -2.954 0.621
365 HG21 ILE 8 HG21 ILE 8 7.158 -3.301 3.116
366 HG22 ILE 8 HG22 ILE 8 8.655 -4.210 3.265
367 HG23 ILE 8 HG23 ILE 8 7.907 -4.005 1.688
368 HD11 ILE 8 HD11 ILE 8 7.272 -2.450 0.421
369 HD12 ILE 8 HD12 ILE 8 8.331 -2.165 -0.957
370 HD13 ILE 8 HD13 ILE 8 7.824 -0.816 0.058
371 H THR 9 HN THR 9 9.648 -0.443 4.798
372 HA THR 9 HA THR 9 8.349 -1.784 6.909
373 HB THR 9 HB THR 9 10.189 0.623 7.001
374 HG1 THR 9 HG1 THR 9 11.418 -0.935 6.245
375 HG21 THR 9 HG21 THR 9 10.636 -0.339 9.337
376 HG22 THR 9 HG22 THR 9 9.142 -1.249 9.126
377 HG23 THR 9 HG23 THR 9 9.109 0.514 9.112
378 H ARG 10 HN ARG 10 8.141 1.561 5.749
379 HA ARG 10 HA ARG 10 6.423 2.546 7.769
380 HB2 ARG 10 HB2 ARG 10 6.871 3.367 4.895
381 HB3 ARG 10 HB1 ARG 10 5.807 4.251 5.990
382 HG2 ARG 10 HG2 ARG 10 7.621 4.725 7.499
383 HG3 ARG 10 HG1 ARG 10 8.705 3.643 6.621
384 HD2 ARG 10 HD2 ARG 10 9.098 6.035 6.058
385 HD3 ARG 10 HD1 ARG 10 8.617 5.089 4.660
386 HE ARG 10 HE ARG 10 6.618 6.281 4.570
387 HH11 ARG 10 HH11 ARG 10 5.300 8.020 5.203
388 HH12 ARG 10 HH12 ARG 10 5.617 8.850 6.690
389 HH21 ARG 10 HH21 ARG 10 8.346 6.873 7.514
390 HH22 ARG 10 HH22 ARG 10 7.343 8.199 7.999
391 H CYS 11 HN CYS 11 5.779 0.940 4.683
392 HA CYS 11 HA CYS 11 3.003 1.284 4.573
393 HB2 CYS 11 HB2 CYS 11 4.609 0.272 2.830
394 HB3 CYS 11 HB1 CYS 11 4.379 -1.245 3.694
395 H LYS 12 HN LYS 12 4.941 -1.255 6.139
396 HA LYS 12 HA LYS 12 2.777 -2.833 7.024
397 HB2 LYS 12 HB2 LYS 12 5.574 -2.466 8.110
398 HB3 LYS 12 HB1 LYS 12 4.438 -3.655 8.749
399 HG2 LYS 12 HG2 LYS 12 4.241 -4.669 6.502
400 HG3 LYS 12 HG1 LYS 12 5.393 -3.489 5.875
401 HD2 LYS 12 HD2 LYS 12 7.116 -4.323 7.416
402 HD3 LYS 12 HD1 LYS 12 5.971 -5.490 8.079
403 HE2 LYS 12 HE2 LYS 12 5.751 -6.540 5.856
404 HE3 LYS 12 HE1 LYS 12 6.898 -5.376 5.193
405 HZ1 LYS 12 HZ1 LYS 12 7.544 -7.162 7.468
406 HZ2 LYS 12 HZ2 LYS 12 8.618 -6.231 6.537
407 HZ3 LYS 12 HZ3 LYS 12 7.850 -7.583 5.853
408 H LYS 13 HN LYS 13 4.497 -0.125 8.535
409 HA LYS 13 HA LYS 13 3.124 -0.220 11.007
410 HB2 LYS 13 HB2 LYS 13 4.544 2.031 9.581
411 HB3 LYS 13 HB1 LYS 13 3.853 2.196 11.197
412 HG2 LYS 13 HG2 LYS 13 5.239 0.303 11.977
413 HG3 LYS 13 HG1 LYS 13 5.944 0.160 10.365
414 HD2 LYS 13 HD2 LYS 13 6.807 2.470 10.542
415 HD3 LYS 13 HD1 LYS 13 6.122 2.596 12.163
416 HE2 LYS 13 HE2 LYS 13 8.203 0.566 11.298
417 HE3 LYS 13 HE1 LYS 13 8.528 2.019 12.242
418 HZ1 LYS 13 HZ1 LYS 13 8.297 0.265 13.776
419 HZ2 LYS 13 HZ2 LYS 13 6.893 -0.324 13.023
420 HZ3 LYS 13 HZ3 LYS 13 6.852 1.147 13.870
421 H LEU 14 HN LEU 14 2.463 1.452 7.969
422 HA LEU 14 HA LEU 14 0.294 3.010 8.871
423 HB2 LEU 14 HB2 LEU 14 1.127 1.924 6.182
424 HB3 LEU 14 HB1 LEU 14 -0.342 2.877 6.357
425 HG LEU 14 HG LEU 14 2.291 3.901 7.447
426 HD11 LEU 14 HD11 LEU 14 2.883 3.536 5.174
427 HD12 LEU 14 HD12 LEU 14 2.370 5.220 5.218
428 HD13 LEU 14 HD13 LEU 14 1.278 3.982 4.597
429 HD21 LEU 14 HD21 LEU 14 0.335 5.167 8.135
430 HD22 LEU 14 HD22 LEU 14 -0.297 5.177 6.490
431 HD23 LEU 14 HD23 LEU 14 1.149 6.098 6.885
432 H LEU 15 HN LEU 15 0.432 -0.249 7.465
433 HA LEU 15 HA LEU 15 -2.362 -0.655 7.374
434 HB2 LEU 15 HB2 LEU 15 -0.036 -2.574 7.582
435 HB3 LEU 15 HB1 LEU 15 -1.702 -3.096 7.340
436 HG LEU 15 HG LEU 15 -0.264 -1.132 5.527
437 HD11 LEU 15 HD11 LEU 15 -0.105 -3.054 3.941
438 HD12 LEU 15 HD12 LEU 15 -0.669 -4.121 5.227
439 HD13 LEU 15 HD13 LEU 15 0.869 -3.273 5.394
440 HD21 LEU 15 HD21 LEU 15 -2.528 -0.788 5.084
441 HD22 LEU 15 HD22 LEU 15 -2.978 -2.438 5.510
442 HD23 LEU 15 HD23 LEU 15 -2.195 -2.106 3.969
443 H ASP 16 HN ASP 16 0.072 -1.366 9.853
444 HA ASP 16 HA ASP 16 -1.723 -2.625 11.660
445 HB2 ASP 16 HB2 ASP 16 0.966 -1.304 12.034
446 HB3 ASP 16 HB1 ASP 16 0.091 -2.081 13.353
447 H ASP 17 HN ASP 17 -0.609 0.692 11.254
448 HA ASP 17 HA ASP 17 -1.925 1.737 13.556
449 HB2 ASP 17 HB2 ASP 17 -0.829 3.051 11.064
450 HB3 ASP 17 HB1 ASP 17 -1.536 3.952 12.404
451 H SER 18 HN SER 18 -3.052 0.639 10.583
452 HA SER 18 HA SER 18 -5.125 2.420 10.000
453 HB2 SER 18 HB2 SER 18 -6.041 0.689 8.640
454 HB3 SER 18 HB1 SER 18 -4.292 0.479 8.589
455 HG SER 18 HG SER 18 -6.079 -1.285 9.315
456 H SER 19 HN SER 19 -4.752 0.205 12.560
457 HA SER 19 HA SER 19 -7.577 -0.080 13.128
458 HB2 SER 19 HB2 SER 19 -6.883 -1.297 15.090
459 HB3 SER 19 HB1 SER 19 -5.867 -1.807 13.746
460 HG SER 19 HG SER 19 -4.692 0.283 14.780
461 H SER 20 HN SER 20 -5.232 2.257 13.672
462 HA SER 20 HA SER 20 -6.337 3.341 16.117
463 HB2 SER 20 HB2 SER 20 -4.313 4.504 14.191
464 HB3 SER 20 HB1 SER 20 -4.736 5.183 15.760
465 HG SER 20 HG SER 20 -2.842 3.664 15.555
466 H2 ZBR 100 HA3 TBS 100 -1.655 0.526 -2.073
467 H4 ZBR 100 HC3 TBS 100 0.203 1.190 1.770
468 H6 ZBR 100 HB3 TBS 100 2.539 -0.361 -1.520
469 H7 ZBR 100 HB11 TBS 100 1.097 0.301 -3.959
470 H7A ZBR 100 HB12 TBS 100 -0.457 -0.526 -3.798
471 H8 ZBR 100 HA11 TBS 100 -2.445 2.337 -0.015
472 H8A ZBR 100 HA12 TBS 100 -2.106 1.541 1.527
473 H9 ZBR 100 HC11 TBS 100 3.012 1.378 1.369
474 H9A ZBR 100 HC12 TBS 100 3.543 -0.111 0.581
Start of MODEL 4
1 H1 LYS 1 HN LYS 1 -6.441 4.122 16.558
2 HA LYS 1 HA LYS 1 -8.777 4.458 14.786
3 HB2 LYS 1 HB2 LYS 1 -8.303 5.223 17.676
4 HB3 LYS 1 HB1 LYS 1 -9.770 5.606 16.773
5 HG2 LYS 1 HG2 LYS 1 -10.139 3.205 16.345
6 HG3 LYS 1 HG1 LYS 1 -8.676 2.819 17.251
7 HD2 LYS 1 HD2 LYS 1 -9.651 3.852 19.269
8 HD3 LYS 1 HD1 LYS 1 -11.119 4.228 18.365
9 HE2 LYS 1 HE2 LYS 1 -11.482 1.825 17.945
10 HE3 LYS 1 HE1 LYS 1 -10.014 1.444 18.845
11 HZ1 LYS 1 HZ1 LYS 1 -11.000 1.856 20.809
12 HZ2 LYS 1 HZ2 LYS 1 -12.426 1.520 19.948
13 HZ3 LYS 1 HZ3 LYS 1 -11.947 3.129 20.208
14 H ASN 2 HN ASN 2 -5.889 5.709 14.859
15 HA ASN 2 HA ASN 2 -6.246 8.466 15.238
16 HB2 ASN 2 HB2 ASN 2 -4.171 8.596 13.669
17 HB3 ASN 2 HB1 ASN 2 -4.010 7.823 15.238
18 HD21 ASN 2 HD21 ASN 2 -5.278 6.690 12.038
19 HD22 ASN 2 HD22 ASN 2 -4.327 5.288 12.014
20 HA PRO 3 HA PRO 3 -8.418 9.981 11.676
21 HB2 PRO 3 HB2 PRO 3 -6.106 11.840 11.194
22 HB3 PRO 3 HB1 PRO 3 -7.835 12.210 11.349
23 HG2 PRO 3 HG2 PRO 3 -6.149 12.746 13.321
24 HG3 PRO 3 HG1 PRO 3 -7.779 12.128 13.659
25 HD2 PRO 3 HD2 PRO 3 -5.151 10.682 13.797
26 HD3 PRO 3 HD1 PRO 3 -6.606 10.506 14.802
27 H GLU 4 HN GLU 4 -5.069 9.026 11.377
28 HA GLU 4 HA GLU 4 -4.785 9.099 8.569
29 HB2 GLU 4 HB2 GLU 4 -3.460 7.367 10.663
30 HB3 GLU 4 HB1 GLU 4 -2.981 7.389 8.965
31 HG2 GLU 4 HG2 GLU 4 -2.499 9.785 9.102
32 HG3 GLU 4 HG1 GLU 4 -3.050 9.820 10.776
33 H ALA 5 HN ALA 5 -6.730 7.168 10.543
34 HA ALA 5 HA ALA 5 -6.734 4.690 9.240
35 HB1 ALA 5 HB1 ALA 5 -9.070 6.126 10.532
36 HB2 ALA 5 HB2 ALA 5 -7.901 5.112 11.378
37 HB3 ALA 5 HB3 ALA 5 -8.984 4.400 10.183
38 H GLU 6 HN GLU 6 -8.191 7.761 8.365
39 HA GLU 6 HA GLU 6 -10.032 6.831 6.438
40 HB2 GLU 6 HB2 GLU 6 -8.509 9.436 6.671
41 HB3 GLU 6 HB1 GLU 6 -9.769 9.151 5.469
42 HG2 GLU 6 HG2 GLU 6 -11.392 8.686 7.245
43 HG3 GLU 6 HG1 GLU 6 -10.139 8.895 8.467
44 H GLU 7 HN GLU 7 -6.598 7.669 6.233
45 HA GLU 7 HA GLU 7 -6.362 7.382 3.424
46 HB2 GLU 7 HB2 GLU 7 -4.659 8.560 4.740
47 HB3 GLU 7 HB1 GLU 7 -4.249 7.061 5.573
48 HG2 GLU 7 HG2 GLU 7 -2.654 7.504 3.751
49 HG3 GLU 7 HG1 GLU 7 -3.575 6.048 3.410
50 H ILE 8 HN ILE 8 -6.070 5.149 6.121
51 HA ILE 8 HA ILE 8 -5.023 2.930 4.705
52 HB ILE 8 HB ILE 8 -6.901 2.903 7.086
53 HG12 ILE 8 HG12 ILE 8 -4.991 4.345 7.543
54 HG13 ILE 8 HG11 ILE 8 -4.804 2.839 8.424
55 HG21 ILE 8 HG21 ILE 8 -5.807 0.755 7.580
56 HG22 ILE 8 HG22 ILE 8 -4.846 0.899 6.111
57 HG23 ILE 8 HG23 ILE 8 -6.596 0.709 6.006
58 HD11 ILE 8 HD11 ILE 8 -3.298 3.823 6.020
59 HD12 ILE 8 HD12 ILE 8 -3.423 2.091 6.314
60 HD13 ILE 8 HD13 ILE 8 -2.678 3.136 7.517
61 H THR 9 HN THR 9 -8.351 4.006 5.303
62 HA THR 9 HA THR 9 -9.669 1.798 4.159
63 HB THR 9 HB THR 9 -10.532 4.699 4.266
64 HG1 THR 9 HG1 THR 9 -10.720 4.252 6.293
65 HG21 THR 9 HG21 THR 9 -12.833 3.590 4.185
66 HG22 THR 9 HG22 THR 9 -11.998 2.129 3.658
67 HG23 THR 9 HG23 THR 9 -11.920 3.592 2.676
68 H ARG 10 HN ARG 10 -8.466 4.822 2.736
69 HA ARG 10 HA ARG 10 -9.495 4.433 0.137
70 HB2 ARG 10 HB2 ARG 10 -8.573 6.587 0.959
71 HB3 ARG 10 HB1 ARG 10 -6.957 5.880 0.941
72 HG2 ARG 10 HG2 ARG 10 -7.068 5.535 -1.454
73 HG3 ARG 10 HG1 ARG 10 -8.756 6.045 -1.492
74 HD2 ARG 10 HD2 ARG 10 -7.405 7.912 -2.216
75 HD3 ARG 10 HD1 ARG 10 -8.032 8.281 -0.613
76 HE ARG 10 HE ARG 10 -5.476 7.053 -0.395
77 HH11 ARG 10 HH11 ARG 10 -3.689 8.391 0.049
78 HH12 ARG 10 HH12 ARG 10 -3.810 10.099 -0.196
79 HH21 ARG 10 HH21 ARG 10 -7.079 9.974 -1.340
80 HH22 ARG 10 HH22 ARG 10 -5.725 10.995 -0.987
81 H CYS 11 HN CYS 11 -6.433 3.470 1.631
82 HA CYS 11 HA CYS 11 -5.203 2.410 -0.666
83 HB2 CYS 11 HB2 CYS 11 -4.113 2.850 1.567
84 HB3 CYS 11 HB1 CYS 11 -4.885 1.380 2.154
85 H LYS 12 HN LYS 12 -7.458 1.034 1.662
86 HA LYS 12 HA LYS 12 -7.296 -1.637 0.818
87 HB2 LYS 12 HB2 LYS 12 -8.418 -0.911 2.908
88 HB3 LYS 12 HB1 LYS 12 -9.695 -0.176 1.945
89 HG2 LYS 12 HG2 LYS 12 -10.494 -2.331 2.664
90 HG3 LYS 12 HG1 LYS 12 -10.138 -2.469 0.949
91 HD2 LYS 12 HD2 LYS 12 -8.077 -3.628 1.380
92 HD3 LYS 12 HD1 LYS 12 -8.147 -3.234 3.097
93 HE2 LYS 12 HE2 LYS 12 -10.089 -5.009 1.592
94 HE3 LYS 12 HE1 LYS 12 -8.836 -5.559 2.705
95 HZ1 LYS 12 HZ1 LYS 12 -9.951 -4.029 4.374
96 HZ2 LYS 12 HZ2 LYS 12 -10.764 -5.468 3.980
97 HZ3 LYS 12 HZ3 LYS 12 -11.267 -3.993 3.305
98 H LYS 13 HN LYS 13 -9.388 1.027 -0.235
99 HA LYS 13 HA LYS 13 -10.960 -0.458 -2.037
100 HB2 LYS 13 HB2 LYS 13 -10.198 2.468 -1.985
101 HB3 LYS 13 HB1 LYS 13 -11.353 1.790 -3.132
102 HG2 LYS 13 HG2 LYS 13 -12.736 0.969 -1.255
103 HG3 LYS 13 HG1 LYS 13 -11.584 1.659 -0.110
104 HD2 LYS 13 HD2 LYS 13 -12.001 3.909 -1.059
105 HD3 LYS 13 HD1 LYS 13 -13.183 3.211 -2.168
106 HE2 LYS 13 HE2 LYS 13 -13.347 3.094 0.859
107 HE3 LYS 13 HE1 LYS 13 -14.277 4.185 -0.169
108 HZ1 LYS 13 HZ1 LYS 13 -15.725 2.581 -0.592
109 HZ2 LYS 13 HZ2 LYS 13 -14.936 1.604 0.551
110 HZ3 LYS 13 HZ3 LYS 13 -14.502 1.516 -1.089
111 H LEU 14 HN LEU 14 -7.879 1.228 -2.432
112 HA LEU 14 HA LEU 14 -7.655 0.908 -5.231
113 HB2 LEU 14 HB2 LEU 14 -5.581 1.221 -3.056
114 HB3 LEU 14 HB1 LEU 14 -5.178 1.200 -4.770
115 HG LEU 14 HG LEU 14 -7.181 3.110 -3.524
116 HD11 LEU 14 HD11 LEU 14 -5.323 4.810 -3.909
117 HD12 LEU 14 HD12 LEU 14 -4.232 3.440 -4.121
118 HD13 LEU 14 HD13 LEU 14 -5.060 3.679 -2.586
119 HD21 LEU 14 HD21 LEU 14 -7.714 3.151 -5.781
120 HD22 LEU 14 HD22 LEU 14 -6.091 2.687 -6.290
121 HD23 LEU 14 HD23 LEU 14 -6.416 4.339 -5.781
122 H LEU 15 HN LEU 15 -6.661 -1.130 -2.513
123 HA LEU 15 HA LEU 15 -5.294 -3.073 -4.051
124 HB2 LEU 15 HB2 LEU 15 -6.650 -3.203 -1.354
125 HB3 LEU 15 HB1 LEU 15 -5.705 -4.532 -2.023
126 HG LEU 15 HG LEU 15 -4.628 -1.715 -1.678
127 HD11 LEU 15 HD11 LEU 15 -4.491 -4.116 0.160
128 HD12 LEU 15 HD12 LEU 15 -5.093 -2.498 0.531
129 HD13 LEU 15 HD13 LEU 15 -3.368 -2.758 0.270
130 HD21 LEU 15 HD21 LEU 15 -2.426 -3.184 -1.704
131 HD22 LEU 15 HD22 LEU 15 -3.202 -2.760 -3.221
132 HD23 LEU 15 HD23 LEU 15 -3.450 -4.360 -2.524
133 H ASP 16 HN ASP 16 -8.655 -2.768 -3.020
134 HA ASP 16 HA ASP 16 -9.530 -5.284 -4.002
135 HB2 ASP 16 HB2 ASP 16 -10.989 -2.717 -3.378
136 HB3 ASP 16 HB1 ASP 16 -11.811 -4.186 -3.902
137 H ASP 17 HN ASP 17 -9.046 -2.169 -5.468
138 HA ASP 17 HA ASP 17 -10.600 -2.514 -7.802
139 HB2 ASP 17 HB2 ASP 17 -8.168 -0.807 -7.250
140 HB3 ASP 17 HB1 ASP 17 -9.048 -0.765 -8.770
141 H SER 18 HN SER 18 -7.905 -4.182 -6.761
142 HA SER 18 HA SER 18 -6.362 -4.536 -9.042
143 HB2 SER 18 HB2 SER 18 -7.003 -6.526 -6.862
144 HB3 SER 18 HB1 SER 18 -5.702 -6.708 -8.036
145 HG SER 18 HG SER 18 -4.553 -5.407 -6.866
146 H SER 19 HN SER 19 -9.410 -5.929 -8.149
147 HA SER 19 HA SER 19 -9.406 -7.868 -10.298
148 HB2 SER 19 HB2 SER 19 -11.631 -8.439 -9.560
149 HB3 SER 19 HB1 SER 19 -10.605 -8.256 -8.141
150 HG SER 19 HG SER 19 -11.843 -6.679 -7.532
151 H SER 20 HN SER 20 -9.957 -4.600 -10.076
152 HA SER 20 HA SER 20 -12.031 -4.373 -12.076
153 HB2 SER 20 HB2 SER 20 -11.850 -2.044 -11.798
154 HB3 SER 20 HB1 SER 20 -11.523 -2.695 -10.195
155 HG SER 20 HG SER 20 -9.426 -2.287 -12.025
156 H1 LYS 1 HN LYS 1 -11.776 -3.532 -14.182
157 HA LYS 1 HA LYS 1 -9.158 -4.144 -15.393
158 HB2 LYS 1 HB2 LYS 1 -11.920 -3.843 -16.594
159 HB3 LYS 1 HB1 LYS 1 -10.453 -4.125 -17.535
160 HG2 LYS 1 HG2 LYS 1 -10.045 -6.209 -16.284
161 HG3 LYS 1 HG1 LYS 1 -11.512 -5.933 -15.344
162 HD2 LYS 1 HD2 LYS 1 -12.855 -6.012 -17.412
163 HD3 LYS 1 HD1 LYS 1 -11.389 -6.294 -18.352
164 HE2 LYS 1 HE2 LYS 1 -10.981 -8.381 -17.102
165 HE3 LYS 1 HE1 LYS 1 -12.445 -8.102 -16.158
166 HZ1 LYS 1 HZ1 LYS 1 -13.771 -8.669 -17.869
167 HZ2 LYS 1 HZ2 LYS 1 -12.406 -9.544 -18.377
168 HZ3 LYS 1 HZ3 LYS 1 -12.741 -8.020 -19.048
169 H ASN 2 HN ASN 2 -10.367 -1.589 -14.022
170 HA ASN 2 HA ASN 2 -10.388 0.409 -15.996
171 HB2 ASN 2 HB2 ASN 2 -9.870 1.942 -13.963
172 HB3 ASN 2 HB1 ASN 2 -11.393 1.067 -14.003
173 HD21 ASN 2 HD21 ASN 2 -8.023 0.133 -13.052
174 HD22 ASN 2 HD22 ASN 2 -8.485 -0.500 -11.550
175 HA PRO 3 HA PRO 3 -6.151 1.194 -17.056
176 HB2 PRO 3 HB2 PRO 3 -6.588 4.057 -16.261
177 HB3 PRO 3 HB1 PRO 3 -5.970 3.393 -17.787
178 HG2 PRO 3 HG2 PRO 3 -8.439 4.350 -17.617
179 HG3 PRO 3 HG1 PRO 3 -8.083 2.906 -18.586
180 HD2 PRO 3 HD2 PRO 3 -9.423 3.096 -15.910
181 HD3 PRO 3 HD1 PRO 3 -9.712 1.972 -17.253
182 H GLU 4 HN GLU 4 -7.384 2.271 -13.970
183 HA GLU 4 HA GLU 4 -4.972 3.040 -12.721
184 HB2 GLU 4 HB2 GLU 4 -7.539 1.923 -11.578
185 HB3 GLU 4 HB1 GLU 4 -6.211 2.533 -10.590
186 HG2 GLU 4 HG2 GLU 4 -6.383 4.727 -11.672
187 HG3 GLU 4 HG1 GLU 4 -7.670 4.128 -12.717
188 H ALA 5 HN ALA 5 -6.035 0.023 -13.795
189 HA ALA 5 HA ALA 5 -5.022 -1.753 -11.881
190 HB1 ALA 5 HB1 ALA 5 -5.095 -2.079 -14.894
191 HB2 ALA 5 HB2 ALA 5 -6.415 -2.466 -13.790
192 HB3 ALA 5 HB3 ALA 5 -4.910 -3.383 -13.722
193 H GLU 6 HN GLU 6 -3.407 0.153 -14.347
194 HA GLU 6 HA GLU 6 -0.940 -1.215 -14.401
195 HB2 GLU 6 HB2 GLU 6 -1.637 1.694 -14.868
196 HB3 GLU 6 HB1 GLU 6 -0.032 1.021 -15.158
197 HG2 GLU 6 HG2 GLU 6 -0.964 -0.580 -16.761
198 HG3 GLU 6 HG1 GLU 6 -2.591 0.017 -16.438
199 H GLU 7 HN GLU 7 -2.193 1.350 -12.311
200 HA GLU 7 HA GLU 7 0.210 1.804 -10.881
201 HB2 GLU 7 HB2 GLU 7 -1.636 3.420 -10.826
202 HB3 GLU 7 HB1 GLU 7 -2.659 2.243 -10.004
203 HG2 GLU 7 HG2 GLU 7 -1.683 3.826 -8.389
204 HG3 GLU 7 HG1 GLU 7 -1.080 2.202 -8.095
205 H ILE 8 HN ILE 8 -2.483 -0.413 -10.456
206 HA ILE 8 HA ILE 8 -1.803 -1.393 -7.886
207 HB ILE 8 HB ILE 8 -3.137 -2.896 -10.159
208 HG12 ILE 8 HG12 ILE 8 -4.281 -0.779 -9.772
209 HG13 ILE 8 HG11 ILE 8 -5.251 -2.088 -9.117
210 HG21 ILE 8 HG21 ILE 8 -4.179 -4.177 -8.341
211 HG22 ILE 8 HG22 ILE 8 -3.288 -3.239 -7.150
212 HG23 ILE 8 HG23 ILE 8 -2.428 -4.307 -8.257
213 HD11 ILE 8 HD11 ILE 8 -3.673 0.012 -7.663
214 HD12 ILE 8 HD12 ILE 8 -3.982 -1.534 -6.876
215 HD13 ILE 8 HD13 ILE 8 -5.328 -0.524 -7.391
216 H THR 9 HN THR 9 -0.835 -2.408 -11.145
217 HA THR 9 HA THR 9 0.624 -4.698 -10.409
218 HB THR 9 HB THR 9 1.081 -2.795 -12.720
219 HG1 THR 9 HG1 THR 9 -0.683 -3.673 -13.396
220 HG21 THR 9 HG21 THR 9 2.080 -4.926 -13.731
221 HG22 THR 9 HG22 THR 9 2.114 -5.562 -12.086
222 HG23 THR 9 HG23 THR 9 3.046 -4.121 -12.494
223 H ARG 10 HN ARG 10 1.582 -1.290 -10.692
224 HA ARG 10 HA ARG 10 4.339 -1.649 -10.213
225 HB2 ARG 10 HB2 ARG 10 3.340 0.452 -11.080
226 HB3 ARG 10 HB1 ARG 10 2.617 0.738 -9.497
227 HG2 ARG 10 HG2 ARG 10 4.801 0.868 -8.454
228 HG3 ARG 10 HG1 ARG 10 5.591 0.393 -9.958
229 HD2 ARG 10 HD2 ARG 10 5.779 2.794 -9.746
230 HD3 ARG 10 HD1 ARG 10 4.634 2.445 -11.037
231 HE ARG 10 HE ARG 10 3.250 2.754 -8.571
232 HH11 ARG 10 HH11 ARG 10 2.156 4.713 -8.209
233 HH12 ARG 10 HH12 ARG 10 2.539 6.104 -9.165
234 HH21 ARG 10 HH21 ARG 10 4.982 4.489 -11.018
235 HH22 ARG 10 HH22 ARG 10 4.139 5.979 -10.751
236 H CYS 11 HN CYS 11 1.613 -1.101 -8.022
237 HA CYS 11 HA CYS 11 3.082 -0.864 -5.635
238 HB2 CYS 11 HB2 CYS 11 0.635 -0.355 -5.957
239 HB3 CYS 11 HB1 CYS 11 0.339 -2.090 -5.920
240 H LYS 12 HN LYS 12 1.879 -3.660 -7.402
241 HA LYS 12 HA LYS 12 2.391 -5.598 -5.435
242 HB2 LYS 12 HB2 LYS 12 1.039 -6.018 -7.474
243 HB3 LYS 12 HB1 LYS 12 2.504 -5.917 -8.443
244 HG2 LYS 12 HG2 LYS 12 2.061 -8.253 -8.072
245 HG3 LYS 12 HG1 LYS 12 3.438 -7.834 -7.065
246 HD2 LYS 12 HD2 LYS 12 2.081 -7.762 -5.084
247 HD3 LYS 12 HD1 LYS 12 0.593 -7.814 -6.030
248 HE2 LYS 12 HE2 LYS 12 2.667 -10.018 -5.839
249 HE3 LYS 12 HE1 LYS 12 1.088 -10.015 -5.052
250 HZ1 LYS 12 HZ1 LYS 12 0.155 -9.702 -7.366
251 HZ2 LYS 12 HZ2 LYS 12 0.798 -11.234 -7.006
252 HZ3 LYS 12 HZ3 LYS 12 1.691 -10.133 -7.944
253 H LYS 13 HN LYS 13 4.414 -4.323 -8.054
254 HA LYS 13 HA LYS 13 6.618 -6.029 -7.651
255 HB2 LYS 13 HB2 LYS 13 6.429 -3.231 -8.783
256 HB3 LYS 13 HB1 LYS 13 7.917 -4.180 -8.789
257 HG2 LYS 13 HG2 LYS 13 6.772 -5.968 -10.053
258 HG3 LYS 13 HG1 LYS 13 5.287 -5.016 -10.052
259 HD2 LYS 13 HD2 LYS 13 6.459 -3.204 -11.269
260 HD3 LYS 13 HD1 LYS 13 7.923 -4.187 -11.303
261 HE2 LYS 13 HE2 LYS 13 5.262 -4.982 -12.522
262 HE3 LYS 13 HE1 LYS 13 6.651 -4.376 -13.422
263 HZ1 LYS 13 HZ1 LYS 13 7.580 -6.372 -13.389
264 HZ2 LYS 13 HZ2 LYS 13 6.139 -6.990 -12.734
265 HZ3 LYS 13 HZ3 LYS 13 7.404 -6.507 -11.707
266 H LEU 14 HN LEU 14 5.752 -2.918 -6.218
267 HA LEU 14 HA LEU 14 8.153 -2.505 -4.786
268 HB2 LEU 14 HB2 LEU 14 5.320 -1.572 -4.298
269 HB3 LEU 14 HB1 LEU 14 6.690 -1.030 -3.333
270 HG LEU 14 HG LEU 14 6.537 -0.787 -6.354
271 HD11 LEU 14 HD11 LEU 14 6.198 1.679 -5.831
272 HD12 LEU 14 HD12 LEU 14 5.851 1.193 -4.171
273 HD13 LEU 14 HD13 LEU 14 4.824 0.634 -5.486
274 HD21 LEU 14 HD21 LEU 14 8.803 -0.589 -5.918
275 HD22 LEU 14 HD22 LEU 14 8.552 -0.021 -4.267
276 HD23 LEU 14 HD23 LEU 14 8.326 1.079 -5.622
277 H LEU 15 HN LEU 15 5.144 -4.181 -3.962
278 HA LEU 15 HA LEU 15 5.809 -4.745 -1.270
279 HB2 LEU 15 HB2 LEU 15 3.963 -6.106 -3.237
280 HB3 LEU 15 HB1 LEU 15 4.069 -6.566 -1.541
281 HG LEU 15 HG LEU 15 3.480 -3.739 -2.476
282 HD11 LEU 15 HD11 LEU 15 1.613 -6.017 -1.786
283 HD12 LEU 15 HD12 LEU 15 1.640 -5.033 -3.252
284 HD13 LEU 15 HD13 LEU 15 1.108 -4.327 -1.726
285 HD21 LEU 15 HD21 LEU 15 2.440 -3.787 -0.037
286 HD22 LEU 15 HD22 LEU 15 4.167 -3.539 -0.243
287 HD23 LEU 15 HD23 LEU 15 3.553 -5.130 0.199
288 H ASP 16 HN ASP 16 6.348 -6.492 -4.289
289 HA ASP 16 HA ASP 16 7.450 -8.836 -3.127
290 HB2 ASP 16 HB2 ASP 16 7.682 -7.620 -5.880
291 HB3 ASP 16 HB1 ASP 16 8.417 -9.162 -5.446
292 H ASP 17 HN ASP 17 8.762 -5.727 -3.967
293 HA ASP 17 HA ASP 17 11.508 -6.385 -3.989
294 HB2 ASP 17 HB2 ASP 17 10.078 -3.788 -3.410
295 HB3 ASP 17 HB1 ASP 17 11.828 -3.927 -3.479
296 H SER 18 HN SER 18 9.296 -6.517 -1.497
297 HA SER 18 HA SER 18 10.650 -5.531 0.717
298 HB2 SER 18 HB2 SER 18 8.842 -7.943 0.515
299 HB3 SER 18 HB1 SER 18 9.325 -7.177 2.027
300 HG SER 18 HG SER 18 7.890 -5.689 1.674
301 H SER 19 HN SER 19 11.087 -8.478 -1.058
302 HA SER 19 HA SER 19 12.891 -9.648 0.877
303 HB2 SER 19 HB2 SER 19 13.161 -11.447 -0.717
304 HB3 SER 19 HB1 SER 19 11.452 -11.037 -0.615
305 HG SER 19 HG SER 19 11.529 -10.535 -2.647
306 H SER 20 HN SER 20 13.142 -7.300 -1.463
307 HA SER 20 HA SER 20 15.862 -7.817 -2.298
308 HB2 SER 20 HB2 SER 20 15.689 -5.855 -3.594
309 HB3 SER 20 HB1 SER 20 14.073 -6.553 -3.640
310 HG SER 20 HG SER 20 14.825 -4.696 -1.653
311 H1 LYS 1 HN LYS 1 17.689 -6.549 -1.752
312 HA LYS 1 HA LYS 1 17.567 -5.415 0.969
313 HB2 LYS 1 HB2 LYS 1 19.883 -6.383 -0.721
314 HB3 LYS 1 HB1 LYS 1 20.063 -5.631 0.867
315 HG2 LYS 1 HG2 LYS 1 18.644 -7.384 1.864
316 HG3 LYS 1 HG1 LYS 1 18.460 -8.139 0.280
317 HD2 LYS 1 HD2 LYS 1 20.900 -8.486 0.160
318 HD3 LYS 1 HD1 LYS 1 21.083 -7.738 1.748
319 HE2 LYS 1 HE2 LYS 1 19.665 -9.492 2.745
320 HE3 LYS 1 HE1 LYS 1 19.474 -10.242 1.160
321 HZ1 LYS 1 HZ1 LYS 1 21.548 -11.073 1.200
322 HZ2 LYS 1 HZ2 LYS 1 21.374 -10.926 2.883
323 HZ3 LYS 1 HZ3 LYS 1 22.205 -9.732 2.004
324 H ASN 2 HN ASN 2 17.038 -4.239 -1.896
325 HA ASN 2 HA ASN 2 18.926 -2.197 -2.266
326 HB2 ASN 2 HB2 ASN 2 16.951 -1.076 -3.540
327 HB3 ASN 2 HB1 ASN 2 17.616 -2.584 -4.148
328 HD21 ASN 2 HD21 ASN 2 15.235 -1.816 -1.526
329 HD22 ASN 2 HD22 ASN 2 14.062 -2.893 -2.101
330 HA PRO 3 HA PRO 3 18.076 0.913 0.783
331 HB2 PRO 3 HB2 PRO 3 17.703 2.868 -1.466
332 HB3 PRO 3 HB1 PRO 3 18.768 2.970 -0.049
333 HG2 PRO 3 HG2 PRO 3 19.741 2.415 -2.456
334 HG3 PRO 3 HG1 PRO 3 20.383 1.621 -1.004
335 HD2 PRO 3 HD2 PRO 3 18.578 0.501 -3.120
336 HD3 PRO 3 HD1 PRO 3 19.850 -0.292 -2.167
337 H GLU 4 HN GLU 4 15.899 0.507 -1.918
338 HA GLU 4 HA GLU 4 13.771 2.164 -1.089
339 HB2 GLU 4 HB2 GLU 4 13.794 -0.360 -2.754
340 HB3 GLU 4 HB1 GLU 4 12.366 0.651 -2.525
341 HG2 GLU 4 HG2 GLU 4 13.548 2.576 -3.480
342 HG3 GLU 4 HG1 GLU 4 15.008 1.605 -3.665
343 H ALA 5 HN ALA 5 15.026 -0.658 0.276
344 HA ALA 5 HA ALA 5 12.763 -1.967 1.280
345 HB1 ALA 5 HB1 ALA 5 15.486 -1.651 2.574
346 HB2 ALA 5 HB2 ALA 5 15.037 -2.906 1.421
347 HB3 ALA 5 HB3 ALA 5 14.275 -2.856 3.011
348 H GLU 6 HN GLU 6 14.390 0.966 2.322
349 HA GLU 6 HA GLU 6 13.288 1.173 4.912
350 HB2 GLU 6 HB2 GLU 6 14.173 3.285 2.931
351 HB3 GLU 6 HB1 GLU 6 13.702 3.646 4.593
352 HG2 GLU 6 HG2 GLU 6 15.460 2.156 5.436
353 HG3 GLU 6 HG1 GLU 6 15.908 1.727 3.786
354 H GLU 7 HN GLU 7 12.100 2.182 1.734
355 HA GLU 7 HA GLU 7 9.794 3.542 2.665
356 HB2 GLU 7 HB2 GLU 7 10.645 3.872 0.387
357 HB3 GLU 7 HB1 GLU 7 10.280 2.192 -0.005
358 HG2 GLU 7 HG2 GLU 7 8.497 3.679 -0.824
359 HG3 GLU 7 HG1 GLU 7 7.874 2.617 0.431
360 H ILE 8 HN ILE 8 10.457 0.200 1.800
361 HA ILE 8 HA ILE 8 7.796 -0.772 1.855
362 HB ILE 8 HB ILE 8 10.335 -2.246 2.618
363 HG12 ILE 8 HG12 ILE 8 10.599 -1.198 0.435
364 HG13 ILE 8 HG11 ILE 8 10.364 -2.925 0.223
365 HG21 ILE 8 HG21 ILE 8 9.084 -4.230 1.873
366 HG22 ILE 8 HG22 ILE 8 7.670 -3.228 1.557
367 HG23 ILE 8 HG23 ILE 8 8.258 -3.433 3.207
368 HD11 ILE 8 HD11 ILE 8 8.479 -0.668 -0.388
369 HD12 ILE 8 HD12 ILE 8 7.828 -2.267 -0.039
370 HD13 ILE 8 HD13 ILE 8 8.931 -2.043 -1.390
371 H THR 9 HN THR 9 10.245 -0.420 4.400
372 HA THR 9 HA THR 9 8.814 -1.679 6.470
373 HB THR 9 HB THR 9 10.800 0.602 6.623
374 HG1 THR 9 HG1 THR 9 12.135 -0.913 6.121
375 HG21 THR 9 HG21 THR 9 11.149 -0.413 8.948
376 HG22 THR 9 HG22 THR 9 9.617 -1.250 8.694
377 HG23 THR 9 HG23 THR 9 9.666 0.512 8.713
378 H ARG 10 HN ARG 10 8.849 1.687 5.341
379 HA ARG 10 HA ARG 10 7.198 2.764 7.359
380 HB2 ARG 10 HB2 ARG 10 8.534 4.132 5.774
381 HB3 ARG 10 HB1 ARG 10 7.439 3.660 4.475
382 HG2 ARG 10 HG2 ARG 10 5.564 4.717 5.589
383 HG3 ARG 10 HG1 ARG 10 6.548 5.055 7.013
384 HD2 ARG 10 HD2 ARG 10 6.415 7.084 5.705
385 HD3 ARG 10 HD1 ARG 10 8.050 6.449 5.566
386 HE ARG 10 HE ARG 10 6.453 5.462 3.433
387 HH11 ARG 10 HH11 ARG 10 6.698 6.423 1.387
388 HH12 ARG 10 HH12 ARG 10 7.461 7.970 1.246
389 HH21 ARG 10 HH21 ARG 10 7.981 8.321 4.654
390 HH22 ARG 10 HH22 ARG 10 8.183 9.046 3.095
391 H CYS 11 HN CYS 11 6.447 1.312 4.219
392 HA CYS 11 HA CYS 11 3.677 1.800 4.221
393 HB2 CYS 11 HB2 CYS 11 5.077 0.966 2.289
394 HB3 CYS 11 HB1 CYS 11 5.040 -0.621 3.045
395 H LYS 12 HN LYS 12 5.622 -0.782 5.618
396 HA LYS 12 HA LYS 12 3.517 -2.496 6.334
397 HB2 LYS 12 HB2 LYS 12 5.911 -3.149 6.382
398 HB3 LYS 12 HB1 LYS 12 6.156 -2.082 7.761
399 HG2 LYS 12 HG2 LYS 12 5.877 -4.305 8.634
400 HG3 LYS 12 HG1 LYS 12 4.396 -3.435 8.998
401 HD2 LYS 12 HD2 LYS 12 3.217 -4.513 7.200
402 HD3 LYS 12 HD1 LYS 12 4.713 -5.162 6.532
403 HE2 LYS 12 HE2 LYS 12 3.493 -5.883 9.212
404 HE3 LYS 12 HE1 LYS 12 3.485 -6.895 7.768
405 HZ1 LYS 12 HZ1 LYS 12 5.993 -6.645 7.833
406 HZ2 LYS 12 HZ2 LYS 12 5.288 -7.644 9.014
407 HZ3 LYS 12 HZ3 LYS 12 5.794 -6.073 9.417
408 H LYS 13 HN LYS 13 5.075 0.161 8.093
409 HA LYS 13 HA LYS 13 3.660 -0.143 10.507
410 HB2 LYS 13 HB2 LYS 13 4.917 2.285 9.214
411 HB3 LYS 13 HB1 LYS 13 4.226 2.301 10.837
412 HG2 LYS 13 HG2 LYS 13 5.760 0.485 11.509
413 HG3 LYS 13 HG1 LYS 13 6.456 0.475 9.888
414 HD2 LYS 13 HD2 LYS 13 7.145 2.836 10.176
415 HD3 LYS 13 HD1 LYS 13 6.480 2.821 11.811
416 HE2 LYS 13 HE2 LYS 13 8.689 0.999 10.810
417 HE3 LYS 13 HE1 LYS 13 8.927 2.424 11.820
418 HZ1 LYS 13 HZ1 LYS 13 8.382 1.276 13.617
419 HZ2 LYS 13 HZ2 LYS 13 8.375 -0.136 12.671
420 HZ3 LYS 13 HZ3 LYS 13 6.936 0.732 12.918
421 H LEU 14 HN LEU 14 2.925 1.657 7.557
422 HA LEU 14 HA LEU 14 0.618 2.979 8.516
423 HB2 LEU 14 HB2 LEU 14 1.461 2.139 5.737
424 HB3 LEU 14 HB1 LEU 14 0.035 3.122 6.055
425 HG LEU 14 HG LEU 14 2.834 3.850 6.977
426 HD11 LEU 14 HD11 LEU 14 2.639 5.591 5.120
427 HD12 LEU 14 HD12 LEU 14 1.292 4.638 4.496
428 HD13 LEU 14 HD13 LEU 14 2.902 3.934 4.597
429 HD21 LEU 14 HD21 LEU 14 1.440 5.123 8.336
430 HD22 LEU 14 HD22 LEU 14 0.133 5.159 7.152
431 HD23 LEU 14 HD23 LEU 14 1.542 6.190 6.941
432 H LEU 15 HN LEU 15 1.092 -0.166 6.964
433 HA LEU 15 HA LEU 15 -1.649 -0.825 6.728
434 HB2 LEU 15 HB2 LEU 15 0.841 -2.528 6.912
435 HB3 LEU 15 HB1 LEU 15 -0.759 -3.192 6.593
436 HG LEU 15 HG LEU 15 0.505 -0.994 4.926
437 HD11 LEU 15 HD11 LEU 15 0.539 -3.998 4.583
438 HD12 LEU 15 HD12 LEU 15 1.912 -2.889 4.615
439 HD13 LEU 15 HD13 LEU 15 0.809 -2.885 3.239
440 HD21 LEU 15 HD21 LEU 15 -1.245 -2.055 3.253
441 HD22 LEU 15 HD22 LEU 15 -1.798 -0.914 4.466
442 HD23 LEU 15 HD23 LEU 15 -2.013 -2.644 4.724
443 H ASP 16 HN ASP 16 0.731 -1.358 9.278
444 HA ASP 16 HA ASP 16 -0.928 -2.935 10.957
445 HB2 ASP 16 HB2 ASP 16 1.513 -1.246 11.500
446 HB3 ASP 16 HB1 ASP 16 0.714 -2.201 12.747
447 H ASP 17 HN ASP 17 -0.571 0.490 10.472
448 HA ASP 17 HA ASP 17 -1.786 1.416 12.845
449 HB2 ASP 17 HB2 ASP 17 -1.541 2.665 10.106
450 HB3 ASP 17 HB1 ASP 17 -2.247 3.497 11.484
451 H SER 18 HN SER 18 -3.074 -0.381 10.343
452 HA SER 18 HA SER 18 -5.597 0.698 9.913
453 HB2 SER 18 HB2 SER 18 -4.767 -2.204 10.038
454 HB3 SER 18 HB1 SER 18 -6.293 -1.627 9.371
455 HG SER 18 HG SER 18 -5.267 -1.121 7.618
456 H SER 19 HN SER 19 -4.356 -1.133 12.587
457 HA SER 19 HA SER 19 -6.949 -1.528 13.810
458 HB2 SER 19 HB2 SER 19 -5.741 -2.541 15.643
459 HB3 SER 19 HB1 SER 19 -5.059 -3.130 14.130
460 HG SER 19 HG SER 19 -3.244 -2.224 14.659
461 H SER 20 HN SER 20 -4.815 1.007 13.567
462 HA SER 20 HA SER 20 -5.264 2.203 16.160
463 HB2 SER 20 HB2 SER 20 -3.894 3.968 15.432
464 HB3 SER 20 HB1 SER 20 -3.213 2.549 14.644
465 HG SER 20 HG SER 20 -5.231 4.058 13.387
466 H2 ZBR 100 HA3 TBS 100 -1.658 1.295 -1.893
467 H4 ZBR 100 HC3 TBS 100 0.700 1.755 1.696
468 H6 ZBR 100 HB3 TBS 100 2.541 0.293 -1.926
469 H7 ZBR 100 HB11 TBS 100 0.886 1.072 -4.118
470 H7A ZBR 100 HB12 TBS 100 -0.713 0.372 -3.827
471 H8 ZBR 100 HA11 TBS 100 -2.150 3.016 0.286
472 H8A ZBR 100 HA12 TBS 100 -1.597 2.214 1.762
473 H9 ZBR 100 HC11 TBS 100 3.449 1.898 0.904
474 H9A ZBR 100 HC12 TBS 100 3.800 0.391 0.049
Start of MODEL 5
1 H1 LYS 1 HN LYS 1 -6.814 4.325 17.710
2 HA LYS 1 HA LYS 1 -9.118 4.683 16.035
3 HB2 LYS 1 HB2 LYS 1 -8.295 5.974 18.645
4 HB3 LYS 1 HB1 LYS 1 -9.841 6.266 17.846
5 HG2 LYS 1 HG2 LYS 1 -10.348 3.848 17.951
6 HG3 LYS 1 HG1 LYS 1 -8.811 3.567 18.770
7 HD2 LYS 1 HD2 LYS 1 -9.515 5.011 20.629
8 HD3 LYS 1 HD1 LYS 1 -11.039 5.345 19.806
9 HE2 LYS 1 HE2 LYS 1 -11.383 3.591 21.476
10 HE3 LYS 1 HE1 LYS 1 -11.568 2.913 19.859
11 HZ1 LYS 1 HZ1 LYS 1 -9.426 1.970 19.954
12 HZ2 LYS 1 HZ2 LYS 1 -10.161 1.595 21.440
13 HZ3 LYS 1 HZ3 LYS 1 -9.009 2.841 21.347
14 H ASN 2 HN ASN 2 -6.228 5.791 15.507
15 HA ASN 2 HA ASN 2 -6.453 8.600 15.364
16 HB2 ASN 2 HB2 ASN 2 -4.484 8.440 13.861
17 HB3 ASN 2 HB1 ASN 2 -4.293 7.474 15.317
18 HD21 ASN 2 HD21 ASN 2 -2.857 6.931 12.861
19 HD22 ASN 2 HD22 ASN 2 -3.382 5.424 12.284
20 HA PRO 3 HA PRO 3 -9.025 9.170 11.797
21 HB2 PRO 3 HB2 PRO 3 -7.993 11.513 10.765
22 HB3 PRO 3 HB1 PRO 3 -9.025 11.444 12.208
23 HG2 PRO 3 HG2 PRO 3 -6.045 11.615 12.026
24 HG3 PRO 3 HG1 PRO 3 -7.158 12.486 13.099
25 HD2 PRO 3 HD2 PRO 3 -5.753 10.347 13.967
26 HD3 PRO 3 HD1 PRO 3 -7.402 10.672 14.545
27 H GLU 4 HN GLU 4 -5.590 8.898 11.499
28 HA GLU 4 HA GLU 4 -5.315 8.957 8.683
29 HB2 GLU 4 HB2 GLU 4 -3.680 7.520 10.789
30 HB3 GLU 4 HB1 GLU 4 -3.195 7.714 9.103
31 HG2 GLU 4 HG2 GLU 4 -3.833 10.014 10.972
32 HG3 GLU 4 HG1 GLU 4 -2.203 9.445 10.623
33 H ALA 5 HN ALA 5 -6.722 6.660 10.785
34 HA ALA 5 HA ALA 5 -6.266 4.243 9.439
35 HB1 ALA 5 HB1 ALA 5 -7.392 4.595 11.699
36 HB2 ALA 5 HB2 ALA 5 -8.139 3.392 10.646
37 HB3 ALA 5 HB3 ALA 5 -8.856 4.995 10.800
38 H GLU 6 HN GLU 6 -8.482 6.886 8.789
39 HA GLU 6 HA GLU 6 -10.174 5.585 6.945
40 HB2 GLU 6 HB2 GLU 6 -9.342 8.482 7.196
41 HB3 GLU 6 HB1 GLU 6 -10.587 7.915 6.082
42 HG2 GLU 6 HG2 GLU 6 -11.882 7.004 7.952
43 HG3 GLU 6 HG1 GLU 6 -10.624 7.497 9.084
44 H GLU 7 HN GLU 7 -7.032 7.175 6.576
45 HA GLU 7 HA GLU 7 -6.951 7.218 3.755
46 HB2 GLU 7 HB2 GLU 7 -5.370 8.459 5.238
47 HB3 GLU 7 HB1 GLU 7 -4.620 6.923 5.669
48 HG2 GLU 7 HG2 GLU 7 -3.320 7.959 3.890
49 HG3 GLU 7 HG1 GLU 7 -4.126 6.534 3.242
50 H ILE 8 HN ILE 8 -5.985 4.776 6.129
51 HA ILE 8 HA ILE 8 -4.815 2.935 4.300
52 HB ILE 8 HB ILE 8 -6.011 2.644 7.055
53 HG12 ILE 8 HG12 ILE 8 -3.719 2.234 7.686
54 HG13 ILE 8 HG11 ILE 8 -3.227 2.068 6.005
55 HG21 ILE 8 HG21 ILE 8 -5.162 0.477 5.129
56 HG22 ILE 8 HG22 ILE 8 -6.570 0.522 6.190
57 HG23 ILE 8 HG23 ILE 8 -4.968 0.244 6.862
58 HD11 ILE 8 HD11 ILE 8 -3.505 4.386 5.585
59 HD12 ILE 8 HD12 ILE 8 -2.704 4.302 7.153
60 HD13 ILE 8 HD13 ILE 8 -4.432 4.613 7.065
61 H THR 9 HN THR 9 -8.145 3.389 5.408
62 HA THR 9 HA THR 9 -9.263 1.083 4.248
63 HB THR 9 HB THR 9 -10.497 3.822 4.659
64 HG1 THR 9 HG1 THR 9 -11.283 1.962 6.377
65 HG21 THR 9 HG21 THR 9 -11.699 1.096 4.116
66 HG22 THR 9 HG22 THR 9 -11.877 2.558 3.145
67 HG23 THR 9 HG23 THR 9 -12.627 2.460 4.739
68 H ARG 10 HN ARG 10 -8.698 4.334 2.931
69 HA ARG 10 HA ARG 10 -9.924 3.915 0.417
70 HB2 ARG 10 HB2 ARG 10 -9.224 6.145 1.340
71 HB3 ARG 10 HB1 ARG 10 -7.550 5.700 1.006
72 HG2 ARG 10 HG2 ARG 10 -8.158 5.355 -1.390
73 HG3 ARG 10 HG1 ARG 10 -9.790 5.916 -1.028
74 HD2 ARG 10 HD2 ARG 10 -8.563 7.798 -1.891
75 HD3 ARG 10 HD1 ARG 10 -8.772 8.053 -0.161
76 HE ARG 10 HE ARG 10 -6.463 7.796 0.117
77 HH11 ARG 10 HH11 ARG 10 -4.354 7.622 -0.719
78 HH12 ARG 10 HH12 ARG 10 -4.120 7.150 -2.368
79 HH21 ARG 10 HH21 ARG 10 -7.508 6.845 -3.040
80 HH22 ARG 10 HH22 ARG 10 -5.905 6.709 -3.684
81 H CYS 11 HN CYS 11 -6.636 3.341 1.613
82 HA CYS 11 HA CYS 11 -5.375 2.686 -0.785
83 HB2 CYS 11 HB2 CYS 11 -4.197 2.940 1.371
84 HB3 CYS 11 HB1 CYS 11 -4.914 1.431 1.926
85 H LYS 12 HN LYS 12 -7.281 0.638 1.398
86 HA LYS 12 HA LYS 12 -6.878 -1.796 0.026
87 HB2 LYS 12 HB2 LYS 12 -9.164 -0.823 1.748
88 HB3 LYS 12 HB1 LYS 12 -9.050 -2.470 1.124
89 HG2 LYS 12 HG2 LYS 12 -6.867 -2.747 2.232
90 HG3 LYS 12 HG1 LYS 12 -6.971 -1.099 2.855
91 HD2 LYS 12 HD2 LYS 12 -9.021 -1.685 4.086
92 HD3 LYS 12 HD1 LYS 12 -8.934 -3.330 3.458
93 HE2 LYS 12 HE2 LYS 12 -6.750 -3.643 4.559
94 HE3 LYS 12 HE1 LYS 12 -6.828 -1.995 5.185
95 HZ1 LYS 12 HZ1 LYS 12 -9.184 -3.532 5.748
96 HZ2 LYS 12 HZ2 LYS 12 -8.219 -2.603 6.794
97 HZ3 LYS 12 HZ3 LYS 12 -7.785 -4.206 6.432
98 H LYS 13 HN LYS 13 -9.227 0.807 -0.375
99 HA LYS 13 HA LYS 13 -10.902 -0.452 -2.256
100 HB2 LYS 13 HB2 LYS 13 -11.447 1.682 -1.109
101 HB3 LYS 13 HB1 LYS 13 -10.225 2.491 -2.088
102 HG2 LYS 13 HG2 LYS 13 -11.417 1.868 -4.140
103 HG3 LYS 13 HG1 LYS 13 -12.625 1.004 -3.189
104 HD2 LYS 13 HD2 LYS 13 -13.250 3.105 -2.063
105 HD3 LYS 13 HD1 LYS 13 -12.033 3.973 -2.998
106 HE2 LYS 13 HE2 LYS 13 -14.234 4.255 -4.037
107 HE3 LYS 13 HE1 LYS 13 -13.193 3.299 -5.092
108 HZ1 LYS 13 HZ1 LYS 13 -14.262 1.327 -4.462
109 HZ2 LYS 13 HZ2 LYS 13 -15.519 2.440 -4.725
110 HZ3 LYS 13 HZ3 LYS 13 -15.038 2.055 -3.141
111 H LEU 14 HN LEU 14 -7.872 1.348 -2.660
112 HA LEU 14 HA LEU 14 -7.893 1.569 -5.473
113 HB2 LEU 14 HB2 LEU 14 -5.618 1.328 -3.493
114 HB3 LEU 14 HB1 LEU 14 -5.376 1.702 -5.191
115 HG LEU 14 HG LEU 14 -7.182 3.345 -3.388
116 HD11 LEU 14 HD11 LEU 14 -5.437 4.739 -2.779
117 HD12 LEU 14 HD12 LEU 14 -4.480 4.367 -4.213
118 HD13 LEU 14 HD13 LEU 14 -4.537 3.231 -2.874
119 HD21 LEU 14 HD21 LEU 14 -6.535 5.063 -5.255
120 HD22 LEU 14 HD22 LEU 14 -7.733 3.833 -5.630
121 HD23 LEU 14 HD23 LEU 14 -6.066 3.638 -6.179
122 H LEU 15 HN LEU 15 -6.566 -0.958 -3.341
123 HA LEU 15 HA LEU 15 -5.588 -2.578 -5.489
124 HB2 LEU 15 HB2 LEU 15 -6.065 -3.043 -2.559
125 HB3 LEU 15 HB1 LEU 15 -5.671 -4.399 -3.617
126 HG LEU 15 HG LEU 15 -3.609 -3.305 -4.331
127 HD11 LEU 15 HD11 LEU 15 -2.949 -1.157 -3.134
128 HD12 LEU 15 HD12 LEU 15 -4.626 -1.036 -2.619
129 HD13 LEU 15 HD13 LEU 15 -4.231 -0.988 -4.329
130 HD21 LEU 15 HD21 LEU 15 -2.482 -3.079 -2.043
131 HD22 LEU 15 HD22 LEU 15 -3.310 -4.607 -2.354
132 HD23 LEU 15 HD23 LEU 15 -4.075 -3.380 -1.344
133 H ASP 16 HN ASP 16 -8.627 -2.446 -3.727
134 HA ASP 16 HA ASP 16 -9.769 -4.842 -4.659
135 HB2 ASP 16 HB2 ASP 16 -10.994 -2.222 -3.789
136 HB3 ASP 16 HB1 ASP 16 -11.955 -3.644 -4.188
137 H ASP 17 HN ASP 17 -9.657 -1.602 -6.060
138 HA ASP 17 HA ASP 17 -11.462 -2.099 -8.195
139 HB2 ASP 17 HB2 ASP 17 -9.261 -0.069 -7.821
140 HB3 ASP 17 HB1 ASP 17 -10.296 -0.106 -9.247
141 H SER 18 HN SER 18 -8.377 -3.289 -7.577
142 HA SER 18 HA SER 18 -7.195 -3.364 -10.112
143 HB2 SER 18 HB2 SER 18 -5.792 -5.114 -9.229
144 HB3 SER 18 HB1 SER 18 -6.093 -3.951 -7.946
145 HG SER 18 HG SER 18 -7.401 -6.427 -8.377
146 H SER 19 HN SER 19 -9.860 -5.049 -8.853
147 HA SER 19 HA SER 19 -9.721 -7.275 -10.693
148 HB2 SER 19 HB2 SER 19 -11.924 -6.327 -8.855
149 HB3 SER 19 HB1 SER 19 -11.994 -7.805 -9.811
150 HG SER 19 HG SER 19 -10.889 -7.443 -7.442
151 H SER 20 HN SER 20 -10.757 -4.088 -10.819
152 HA SER 20 HA SER 20 -12.807 -4.439 -12.835
153 HB2 SER 20 HB2 SER 20 -11.409 -1.901 -11.966
154 HB3 SER 20 HB1 SER 20 -12.897 -2.015 -12.900
155 HG SER 20 HG SER 20 -13.777 -3.166 -11.071
156 H1 LYS 1 HN LYS 1 -12.651 -3.771 -15.011
157 HA LYS 1 HA LYS 1 -10.125 -4.361 -16.238
158 HB2 LYS 1 HB2 LYS 1 -12.751 -3.380 -17.377
159 HB3 LYS 1 HB1 LYS 1 -11.346 -3.794 -18.360
160 HG2 LYS 1 HG2 LYS 1 -11.361 -6.078 -17.418
161 HG3 LYS 1 HG1 LYS 1 -12.779 -5.666 -16.453
162 HD2 LYS 1 HD2 LYS 1 -14.065 -5.216 -18.494
163 HD3 LYS 1 HD1 LYS 1 -12.648 -5.573 -19.481
164 HE2 LYS 1 HE2 LYS 1 -14.100 -7.540 -19.398
165 HE3 LYS 1 HE1 LYS 1 -12.602 -7.874 -18.532
166 HZ1 LYS 1 HZ1 LYS 1 -13.660 -7.555 -16.469
167 HZ2 LYS 1 HZ2 LYS 1 -14.705 -8.543 -17.373
168 HZ3 LYS 1 HZ3 LYS 1 -15.048 -6.891 -17.183
169 H ASN 2 HN ASN 2 -10.830 -1.810 -14.546
170 HA ASN 2 HA ASN 2 -10.429 0.415 -16.235
171 HB2 ASN 2 HB2 ASN 2 -9.934 1.622 -14.121
172 HB3 ASN 2 HB1 ASN 2 -11.393 0.646 -14.011
173 HD21 ASN 2 HD21 ASN 2 -9.843 1.435 -11.697
174 HD22 ASN 2 HD22 ASN 2 -9.200 0.024 -11.006
175 HA PRO 3 HA PRO 3 -6.070 0.233 -17.037
176 HB2 PRO 3 HB2 PRO 3 -5.446 2.917 -17.202
177 HB3 PRO 3 HB1 PRO 3 -6.302 2.027 -18.478
178 HG2 PRO 3 HG2 PRO 3 -7.416 3.780 -16.326
179 HG3 PRO 3 HG1 PRO 3 -7.846 3.700 -18.046
180 HD2 PRO 3 HD2 PRO 3 -9.367 2.505 -16.161
181 HD3 PRO 3 HD1 PRO 3 -9.153 1.785 -17.771
182 H GLU 4 HN GLU 4 -7.313 1.887 -14.267
183 HA GLU 4 HA GLU 4 -4.902 2.646 -12.996
184 HB2 GLU 4 HB2 GLU 4 -7.594 1.898 -11.825
185 HB3 GLU 4 HB1 GLU 4 -6.281 2.651 -10.918
186 HG2 GLU 4 HG2 GLU 4 -7.535 3.843 -13.407
187 HG3 GLU 4 HG1 GLU 4 -7.973 4.298 -11.763
188 H ALA 5 HN ALA 5 -6.323 -0.415 -13.550
189 HA ALA 5 HA ALA 5 -5.459 -1.897 -11.336
190 HB1 ALA 5 HB1 ALA 5 -6.980 -2.656 -13.230
191 HB2 ALA 5 HB2 ALA 5 -5.777 -3.833 -12.697
192 HB3 ALA 5 HB3 ALA 5 -5.517 -2.915 -14.180
193 H GLU 6 HN GLU 6 -3.748 -0.766 -14.183
194 HA GLU 6 HA GLU 6 -1.436 -2.369 -13.963
195 HB2 GLU 6 HB2 GLU 6 -1.841 0.411 -15.086
196 HB3 GLU 6 HB1 GLU 6 -0.335 -0.497 -15.238
197 HG2 GLU 6 HG2 GLU 6 -1.512 -2.305 -16.399
198 HG3 GLU 6 HG1 GLU 6 -3.045 -1.457 -16.202
199 H GLU 7 HN GLU 7 -2.371 0.679 -12.424
200 HA GLU 7 HA GLU 7 0.132 1.318 -11.287
201 HB2 GLU 7 HB2 GLU 7 -1.812 2.885 -11.409
202 HB3 GLU 7 HB1 GLU 7 -2.618 1.927 -10.167
203 HG2 GLU 7 HG2 GLU 7 -1.520 3.822 -9.107
204 HG3 GLU 7 HG1 GLU 7 -0.675 2.348 -8.642
205 H ILE 8 HN ILE 8 -2.574 -0.659 -10.142
206 HA ILE 8 HA ILE 8 -1.552 -1.203 -7.541
207 HB ILE 8 HB ILE 8 -3.526 -2.617 -9.331
208 HG12 ILE 8 HG12 ILE 8 -5.114 -1.874 -7.672
209 HG13 ILE 8 HG11 ILE 8 -3.826 -1.416 -6.566
210 HG21 ILE 8 HG21 ILE 8 -2.293 -3.585 -6.750
211 HG22 ILE 8 HG22 ILE 8 -2.648 -4.497 -8.216
212 HG23 ILE 8 HG23 ILE 8 -3.954 -4.008 -7.144
213 HD11 ILE 8 HD11 ILE 8 -3.187 0.434 -7.902
214 HD12 ILE 8 HD12 ILE 8 -4.950 0.476 -7.887
215 HD13 ILE 8 HD13 ILE 8 -4.099 -0.163 -9.286
216 H THR 9 HN THR 9 -1.075 -2.804 -10.660
217 HA THR 9 HA THR 9 0.307 -5.070 -9.732
218 HB THR 9 HB THR 9 0.644 -3.543 -12.327
219 HG1 THR 9 HG1 THR 9 -0.677 -5.842 -12.511
220 HG21 THR 9 HG21 THR 9 1.486 -6.319 -11.463
221 HG22 THR 9 HG22 THR 9 2.524 -5.015 -12.040
222 HG23 THR 9 HG23 THR 9 1.407 -5.811 -13.149
223 H ARG 10 HN ARG 10 1.451 -1.830 -10.628
224 HA ARG 10 HA ARG 10 4.216 -2.329 -10.310
225 HB2 ARG 10 HB2 ARG 10 3.230 -0.302 -11.411
226 HB3 ARG 10 HB1 ARG 10 2.767 0.282 -9.811
227 HG2 ARG 10 HG2 ARG 10 5.158 0.157 -9.109
228 HG3 ARG 10 HG1 ARG 10 5.587 -0.320 -10.752
229 HD2 ARG 10 HD2 ARG 10 5.946 2.052 -10.588
230 HD3 ARG 10 HD1 ARG 10 4.500 1.807 -11.562
231 HE ARG 10 HE ARG 10 3.228 2.768 -9.848
232 HH11 ARG 10 HH11 ARG 10 3.053 3.912 -7.889
233 HH12 ARG 10 HH12 ARG 10 4.404 3.978 -6.807
234 HH21 ARG 10 HH21 ARG 10 6.460 2.061 -8.839
235 HH22 ARG 10 HH22 ARG 10 6.335 2.930 -7.346
236 H CYS 11 HN CYS 11 1.685 -1.298 -8.052
237 HA CYS 11 HA CYS 11 3.252 -0.698 -5.828
238 HB2 CYS 11 HB2 CYS 11 0.813 -0.305 -5.953
239 HB3 CYS 11 HB1 CYS 11 0.543 -2.041 -5.840
240 H LYS 12 HN LYS 12 1.988 -3.833 -6.916
241 HA LYS 12 HA LYS 12 2.902 -5.353 -4.722
242 HB2 LYS 12 HB2 LYS 12 2.406 -6.101 -7.608
243 HB3 LYS 12 HB1 LYS 12 2.814 -7.275 -6.356
244 HG2 LYS 12 HG2 LYS 12 0.854 -6.566 -5.041
245 HG3 LYS 12 HG1 LYS 12 0.444 -5.386 -6.286
246 HD2 LYS 12 HD2 LYS 12 0.188 -7.199 -7.932
247 HD3 LYS 12 HD1 LYS 12 0.609 -8.386 -6.698
248 HE2 LYS 12 HE2 LYS 12 -1.346 -7.700 -5.362
249 HE3 LYS 12 HE1 LYS 12 -1.769 -6.507 -6.590
250 HZ1 LYS 12 HZ1 LYS 12 -1.354 -9.142 -7.653
251 HZ2 LYS 12 HZ2 LYS 12 -2.644 -8.064 -7.896
252 HZ3 LYS 12 HZ3 LYS 12 -2.625 -9.076 -6.532
253 H LYS 13 HN LYS 13 4.440 -4.368 -7.742
254 HA LYS 13 HA LYS 13 6.783 -5.915 -7.521
255 HB2 LYS 13 HB2 LYS 13 6.116 -4.670 -9.565
256 HB3 LYS 13 HB1 LYS 13 6.514 -3.162 -8.746
257 HG2 LYS 13 HG2 LYS 13 8.838 -3.894 -8.467
258 HG3 LYS 13 HG1 LYS 13 8.457 -5.436 -9.232
259 HD2 LYS 13 HD2 LYS 13 7.839 -4.261 -11.309
260 HD3 LYS 13 HD1 LYS 13 8.204 -2.713 -10.545
261 HE2 LYS 13 HE2 LYS 13 10.109 -3.439 -11.906
262 HE3 LYS 13 HE1 LYS 13 10.548 -3.459 -10.198
263 HZ1 LYS 13 HZ1 LYS 13 10.323 -5.779 -10.105
264 HZ2 LYS 13 HZ2 LYS 13 11.180 -5.478 -11.540
265 HZ3 LYS 13 HZ3 LYS 13 9.526 -5.857 -11.600
266 H LEU 14 HN LEU 14 5.939 -2.746 -6.167
267 HA LEU 14 HA LEU 14 8.490 -2.016 -5.208
268 HB2 LEU 14 HB2 LEU 14 5.709 -1.403 -4.184
269 HB3 LEU 14 HB1 LEU 14 7.155 -0.628 -3.558
270 HG LEU 14 HG LEU 14 6.408 -0.590 -6.500
271 HD11 LEU 14 HD11 LEU 14 5.212 1.379 -6.245
272 HD12 LEU 14 HD12 LEU 14 6.056 1.840 -4.767
273 HD13 LEU 14 HD13 LEU 14 4.798 0.614 -4.715
274 HD21 LEU 14 HD21 LEU 14 7.922 1.538 -6.271
275 HD22 LEU 14 HD22 LEU 14 8.694 -0.040 -6.318
276 HD23 LEU 14 HD23 LEU 14 8.470 0.787 -4.775
277 H LEU 15 HN LEU 15 5.843 -3.819 -3.649
278 HA LEU 15 HA LEU 15 7.252 -4.207 -1.187
279 HB2 LEU 15 HB2 LEU 15 4.795 -5.427 -2.416
280 HB3 LEU 15 HB1 LEU 15 5.491 -6.124 -0.951
281 HG LEU 15 HG LEU 15 5.304 -3.988 0.213
282 HD11 LEU 15 HD11 LEU 15 4.077 -2.105 -0.988
283 HD12 LEU 15 HD12 LEU 15 4.360 -2.995 -2.478
284 HD13 LEU 15 HD13 LEU 15 5.723 -2.407 -1.539
285 HD21 LEU 15 HD21 LEU 15 2.778 -3.657 0.019
286 HD22 LEU 15 HD22 LEU 15 3.314 -5.301 0.379
287 HD23 LEU 15 HD23 LEU 15 2.814 -4.876 -1.258
288 H ASP 16 HN ASP 16 6.989 -6.064 -4.161
289 HA ASP 16 HA ASP 16 8.174 -8.458 -3.277
290 HB2 ASP 16 HB2 ASP 16 8.077 -7.131 -5.989
291 HB3 ASP 16 HB1 ASP 16 8.768 -8.732 -5.729
292 H ASP 17 HN ASP 17 9.586 -5.454 -4.484
293 HA ASP 17 HA ASP 17 12.256 -6.398 -4.690
294 HB2 ASP 17 HB2 ASP 17 11.094 -3.632 -4.373
295 HB3 ASP 17 HB1 ASP 17 12.822 -3.928 -4.552
296 H SER 18 HN SER 18 10.294 -5.866 -2.012
297 HA SER 18 HA SER 18 12.060 -4.798 -0.121
298 HB2 SER 18 HB2 SER 18 10.550 -5.673 1.545
299 HB3 SER 18 HB1 SER 18 9.598 -5.124 0.172
300 HG SER 18 HG SER 18 10.405 -7.778 0.758
301 H SER 19 HN SER 19 11.977 -7.845 -1.612
302 HA SER 19 HA SER 19 13.430 -9.250 0.455
303 HB2 SER 19 HB2 SER 19 12.791 -9.988 -2.404
304 HB3 SER 19 HB1 SER 19 13.596 -11.057 -1.259
305 HG SER 19 HG SER 19 10.996 -10.598 -1.562
306 H SER 20 HN SER 20 14.196 -7.135 -2.033
307 HA SER 20 HA SER 20 16.877 -8.109 -2.538
308 HB2 SER 20 HB2 SER 20 15.659 -5.440 -3.275
309 HB3 SER 20 HB1 SER 20 17.129 -6.149 -3.940
310 HG SER 20 HG SER 20 15.755 -7.926 -4.623
311 H1 LYS 1 HN LYS 1 18.808 -7.051 -1.926
312 HA LYS 1 HA LYS 1 18.760 -5.965 0.730
313 HB2 LYS 1 HB2 LYS 1 20.998 -6.317 -1.276
314 HB3 LYS 1 HB1 LYS 1 21.236 -5.724 0.369
315 HG2 LYS 1 HG2 LYS 1 20.244 -7.805 1.260
316 HG3 LYS 1 HG1 LYS 1 20.028 -8.402 -0.386
317 HD2 LYS 1 HD2 LYS 1 22.454 -8.309 -0.760
318 HD3 LYS 1 HD1 LYS 1 22.691 -7.664 0.864
319 HE2 LYS 1 HE2 LYS 1 23.122 -10.070 0.874
320 HE3 LYS 1 HE1 LYS 1 21.663 -9.728 1.802
321 HZ1 LYS 1 HZ1 LYS 1 20.305 -10.426 0.027
322 HZ2 LYS 1 HZ2 LYS 1 21.506 -11.617 0.184
323 HZ3 LYS 1 HZ3 LYS 1 21.602 -10.469 -1.064
324 H ASN 2 HN ASN 2 17.723 -4.559 -1.880
325 HA ASN 2 HA ASN 2 19.210 -2.181 -2.167
326 HB2 ASN 2 HB2 ASN 2 17.172 -1.336 -3.311
327 HB3 ASN 2 HB1 ASN 2 17.642 -2.934 -3.871
328 HD21 ASN 2 HD21 ASN 2 14.942 -1.918 -4.091
329 HD22 ASN 2 HD22 ASN 2 13.951 -2.877 -3.099
330 HA PRO 3 HA PRO 3 18.034 0.132 1.431
331 HB2 PRO 3 HB2 PRO 3 18.085 2.710 0.445
332 HB3 PRO 3 HB1 PRO 3 19.544 1.774 0.822
333 HG2 PRO 3 HG2 PRO 3 18.212 2.210 -1.819
334 HG3 PRO 3 HG1 PRO 3 19.937 2.250 -1.410
335 HD2 PRO 3 HD2 PRO 3 18.821 0.092 -2.592
336 HD3 PRO 3 HD1 PRO 3 20.129 -0.076 -1.401
337 H GLU 4 HN GLU 4 16.188 0.299 -1.488
338 HA GLU 4 HA GLU 4 14.047 1.950 -0.650
339 HB2 GLU 4 HB2 GLU 4 14.112 -0.316 -2.657
340 HB3 GLU 4 HB1 GLU 4 12.778 0.823 -2.474
341 HG2 GLU 4 HG2 GLU 4 15.636 1.628 -3.081
342 HG3 GLU 4 HG1 GLU 4 14.376 1.454 -4.301
343 H ALA 5 HN ALA 5 14.970 -1.215 0.248
344 HA ALA 5 HA ALA 5 12.510 -2.422 0.834
345 HB1 ALA 5 HB1 ALA 5 14.816 -3.486 0.895
346 HB2 ALA 5 HB2 ALA 5 13.749 -3.915 2.233
347 HB3 ALA 5 HB3 ALA 5 15.031 -2.728 2.473
348 H GLU 6 HN GLU 6 14.391 -0.017 2.561
349 HA GLU 6 HA GLU 6 13.086 -0.158 5.058
350 HB2 GLU 6 HB2 GLU 6 14.449 2.141 3.642
351 HB3 GLU 6 HB1 GLU 6 13.870 2.222 5.307
352 HG2 GLU 6 HG2 GLU 6 15.309 0.339 5.928
353 HG3 GLU 6 HG1 GLU 6 15.855 0.184 4.259
354 H GLU 7 HN GLU 7 12.305 1.558 2.062
355 HA GLU 7 HA GLU 7 10.235 3.185 3.079
356 HB2 GLU 7 HB2 GLU 7 11.295 3.471 0.833
357 HB3 GLU 7 HB1 GLU 7 10.466 2.011 0.294
358 HG2 GLU 7 HG2 GLU 7 9.161 3.947 -0.387
359 HG3 GLU 7 HG1 GLU 7 8.281 3.092 0.876
360 H ILE 8 HN ILE 8 10.256 -0.103 1.766
361 HA ILE 8 HA ILE 8 7.440 -0.523 1.791
362 HB ILE 8 HB ILE 8 9.815 -2.382 1.846
363 HG12 ILE 8 HG12 ILE 8 9.059 -2.937 -0.378
364 HG13 ILE 8 HG11 ILE 8 7.535 -2.096 -0.129
365 HG21 ILE 8 HG21 ILE 8 6.897 -3.040 2.266
366 HG22 ILE 8 HG22 ILE 8 8.306 -3.682 3.110
367 HG23 ILE 8 HG23 ILE 8 7.956 -4.192 1.462
368 HD11 ILE 8 HD11 ILE 8 8.575 0.033 -0.179
369 HD12 ILE 8 HD12 ILE 8 9.330 -0.868 -1.493
370 HD13 ILE 8 HD13 ILE 8 10.177 -0.667 0.035
371 H THR 9 HN THR 9 9.929 -0.982 4.262
372 HA THR 9 HA THR 9 8.347 -2.305 6.173
373 HB THR 9 HB THR 9 10.632 -0.356 6.586
374 HG1 THR 9 HG1 THR 9 11.210 -2.927 6.976
375 HG21 THR 9 HG21 THR 9 9.309 -2.377 8.411
376 HG22 THR 9 HG22 THR 9 9.464 -0.639 8.669
377 HG23 THR 9 HG23 THR 9 10.892 -1.671 8.733
378 H ARG 10 HN ARG 10 8.864 1.152 5.544
379 HA ARG 10 HA ARG 10 7.346 2.140 7.714
380 HB2 ARG 10 HB2 ARG 10 8.893 3.511 6.291
381 HB3 ARG 10 HB1 ARG 10 7.696 3.429 4.996
382 HG2 ARG 10 HG2 ARG 10 6.015 4.454 6.528
383 HG3 ARG 10 HG1 ARG 10 7.269 4.612 7.756
384 HD2 ARG 10 HD2 ARG 10 7.121 6.727 6.622
385 HD3 ARG 10 HD1 ARG 10 8.610 5.952 6.091
386 HE ARG 10 HE ARG 10 7.688 5.733 3.951
387 HH11 ARG 10 HH11 ARG 10 6.080 6.203 2.408
388 HH12 ARG 10 HH12 ARG 10 4.526 6.762 2.930
389 HH21 ARG 10 HH21 ARG 10 5.330 6.662 6.302
390 HH22 ARG 10 HH22 ARG 10 4.100 7.022 5.136
391 H CYS 11 HN CYS 11 6.482 1.211 4.402
392 HA CYS 11 HA CYS 11 3.842 2.100 4.338
393 HB2 CYS 11 HB2 CYS 11 5.033 1.164 2.386
394 HB3 CYS 11 HB1 CYS 11 4.944 -0.436 3.115
395 H LYS 12 HN LYS 12 5.165 -0.943 5.602
396 HA LYS 12 HA LYS 12 2.697 -2.145 6.258
397 HB2 LYS 12 HB2 LYS 12 5.457 -2.462 7.447
398 HB3 LYS 12 HB1 LYS 12 4.078 -3.461 7.913
399 HG2 LYS 12 HG2 LYS 12 3.791 -4.167 5.569
400 HG3 LYS 12 HG1 LYS 12 5.166 -3.167 5.097
401 HD2 LYS 12 HD2 LYS 12 6.638 -4.478 6.572
402 HD3 LYS 12 HD1 LYS 12 5.268 -5.475 7.061
403 HE2 LYS 12 HE2 LYS 12 4.959 -6.206 4.726
404 HE3 LYS 12 HE1 LYS 12 6.325 -5.205 4.231
405 HZ1 LYS 12 HZ1 LYS 12 6.916 -6.963 6.428
406 HZ2 LYS 12 HZ2 LYS 12 7.781 -6.691 4.991
407 HZ3 LYS 12 HZ3 LYS 12 6.483 -7.788 5.011
408 H LYS 13 HN LYS 13 4.807 0.074 8.014
409 HA LYS 13 HA LYS 13 3.492 -0.010 10.502
410 HB2 LYS 13 HB2 LYS 13 5.698 1.068 10.124
411 HB3 LYS 13 HB1 LYS 13 4.886 2.363 9.247
412 HG2 LYS 13 HG2 LYS 13 3.575 2.931 11.241
413 HG3 LYS 13 HG1 LYS 13 4.333 1.607 12.128
414 HD2 LYS 13 HD2 LYS 13 6.539 2.662 11.836
415 HD3 LYS 13 HD1 LYS 13 5.793 3.980 10.933
416 HE2 LYS 13 HE2 LYS 13 6.140 4.659 13.262
417 HE3 LYS 13 HE1 LYS 13 4.413 4.537 12.923
418 HZ1 LYS 13 HZ1 LYS 13 4.284 2.482 14.023
419 HZ2 LYS 13 HZ2 LYS 13 5.212 3.474 15.044
420 HZ3 LYS 13 HZ3 LYS 13 5.969 2.299 14.078
421 H LEU 14 HN LEU 14 2.845 1.894 7.580
422 HA LEU 14 HA LEU 14 0.924 3.659 8.654
423 HB2 LEU 14 HB2 LEU 14 1.250 2.491 5.882
424 HB3 LEU 14 HB1 LEU 14 0.111 3.772 6.256
425 HG LEU 14 HG LEU 14 3.081 3.988 6.843
426 HD11 LEU 14 HD11 LEU 14 3.497 4.925 4.766
427 HD12 LEU 14 HD12 LEU 14 1.834 5.467 4.543
428 HD13 LEU 14 HD13 LEU 14 2.250 3.779 4.293
429 HD21 LEU 14 HD21 LEU 14 2.356 6.498 6.662
430 HD22 LEU 14 HD22 LEU 14 1.959 5.616 8.130
431 HD23 LEU 14 HD23 LEU 14 0.724 5.875 6.894
432 H LEU 15 HN LEU 15 0.557 0.462 7.124
433 HA LEU 15 HA LEU 15 -2.291 0.401 7.402
434 HB2 LEU 15 HB2 LEU 15 -0.200 -1.663 6.774
435 HB3 LEU 15 HB1 LEU 15 -1.861 -2.159 7.100
436 HG LEU 15 HG LEU 15 -2.692 -0.717 5.314
437 HD11 LEU 15 HD11 LEU 15 -0.963 0.413 3.825
438 HD12 LEU 15 HD12 LEU 15 0.203 0.112 5.106
439 HD13 LEU 15 HD13 LEU 15 -1.185 1.145 5.411
440 HD21 LEU 15 HD21 LEU 15 -1.402 -1.754 3.359
441 HD22 LEU 15 HD22 LEU 15 -2.085 -2.888 4.529
442 HD23 LEU 15 HD23 LEU 15 -0.365 -2.502 4.576
443 H ASP 16 HN ASP 16 0.376 -0.682 9.420
444 HA ASP 16 HA ASP 16 -1.084 -2.208 11.278
445 HB2 ASP 16 HB2 ASP 16 1.474 -0.621 11.529
446 HB3 ASP 16 HB1 ASP 16 0.842 -1.631 12.827
447 H ASP 17 HN ASP 17 -0.428 1.258 11.097
448 HA ASP 17 HA ASP 17 -1.470 1.928 13.652
449 HB2 ASP 17 HB2 ASP 17 -1.060 3.539 11.135
450 HB3 ASP 17 HB1 ASP 17 -1.674 4.240 12.630
451 H SER 18 HN SER 18 -2.983 0.805 10.866
452 HA SER 18 HA SER 18 -5.377 2.253 10.803
453 HB2 SER 18 HB2 SER 18 -6.274 0.403 9.543
454 HB3 SER 18 HB1 SER 18 -4.590 0.616 9.084
455 HG SER 18 HG SER 18 -5.675 -1.274 10.893
456 H SER 19 HN SER 19 -4.211 -0.017 13.043
457 HA SER 19 HA SER 19 -6.796 -0.800 14.073
458 HB2 SER 19 HB2 SER 19 -4.001 -1.207 15.144
459 HB3 SER 19 HB1 SER 19 -5.453 -1.881 15.879
460 HG SER 19 HG SER 19 -4.027 -2.843 13.867
461 H SER 20 HN SER 20 -4.748 1.831 14.422
462 HA SER 20 HA SER 20 -5.508 2.543 17.126
463 HB2 SER 20 HB2 SER 20 -4.139 4.231 15.020
464 HB3 SER 20 HB1 SER 20 -4.240 4.581 16.742
465 HG SER 20 HG SER 20 -3.146 2.526 17.048
466 H2 ZBR 100 HA3 TBS 100 -1.627 1.315 -1.962
467 H4 ZBR 100 HC3 TBS 100 0.633 1.863 1.697
468 H6 ZBR 100 HB3 TBS 100 2.606 0.385 -1.871
469 H7 ZBR 100 HB11 TBS 100 0.885 1.167 -4.128
470 H7A ZBR 100 HB12 TBS 100 -0.621 0.290 -3.824
471 H8 ZBR 100 HA11 TBS 100 -2.110 3.124 0.306
472 H8A ZBR 100 HA12 TBS 100 -1.702 2.145 1.719
473 H9 ZBR 100 HC11 TBS 100 3.466 2.030 0.876
474 H9A ZBR 100 HC12 TBS 100 3.778 0.440 0.169
Start of MODEL 6
1 H1 LYS 1 HN LYS 1 -6.797 3.965 16.485
2 HA LYS 1 HA LYS 1 -8.857 4.617 14.525
3 HB2 LYS 1 HB2 LYS 1 -8.437 5.446 17.404
4 HB3 LYS 1 HB1 LYS 1 -9.785 5.997 16.409
5 HG2 LYS 1 HG2 LYS 1 -10.481 3.658 16.048
6 HG3 LYS 1 HG1 LYS 1 -9.135 3.103 17.043
7 HD2 LYS 1 HD2 LYS 1 -10.043 4.332 18.976
8 HD3 LYS 1 HD1 LYS 1 -11.380 4.912 17.982
9 HE2 LYS 1 HE2 LYS 1 -12.085 2.964 19.305
10 HE3 LYS 1 HE1 LYS 1 -12.090 2.572 17.585
11 HZ1 LYS 1 HZ1 LYS 1 -10.479 1.077 17.854
12 HZ2 LYS 1 HZ2 LYS 1 -10.814 1.165 19.518
13 HZ3 LYS 1 HZ3 LYS 1 -9.559 2.095 18.850
14 H ASN 2 HN ASN 2 -5.850 5.492 14.657
15 HA ASN 2 HA ASN 2 -5.870 8.277 14.931
16 HB2 ASN 2 HB2 ASN 2 -3.688 8.239 13.806
17 HB3 ASN 2 HB1 ASN 2 -3.796 6.966 15.022
18 HD21 ASN 2 HD21 ASN 2 -5.787 5.961 12.569
19 HD22 ASN 2 HD22 ASN 2 -4.680 5.035 11.679
20 HA PRO 3 HA PRO 3 -7.663 9.843 11.182
21 HB2 PRO 3 HB2 PRO 3 -5.223 11.555 10.857
22 HB3 PRO 3 HB1 PRO 3 -6.931 12.032 10.930
23 HG2 PRO 3 HG2 PRO 3 -5.313 12.450 12.991
24 HG3 PRO 3 HG1 PRO 3 -6.996 11.949 13.236
25 HD2 PRO 3 HD2 PRO 3 -4.485 10.334 13.463
26 HD3 PRO 3 HD1 PRO 3 -5.970 10.280 14.435
27 H GLU 4 HN GLU 4 -4.341 8.742 11.151
28 HA GLU 4 HA GLU 4 -3.855 8.758 8.377
29 HB2 GLU 4 HB2 GLU 4 -2.763 6.977 10.570
30 HB3 GLU 4 HB1 GLU 4 -2.145 7.002 8.919
31 HG2 GLU 4 HG2 GLU 4 -1.594 9.375 9.122
32 HG3 GLU 4 HG1 GLU 4 -2.289 9.421 10.741
33 H ALA 5 HN ALA 5 -5.953 6.859 10.276
34 HA ALA 5 HA ALA 5 -5.966 4.406 8.919
35 HB1 ALA 5 HB1 ALA 5 -7.175 4.863 11.051
36 HB2 ALA 5 HB2 ALA 5 -8.199 4.099 9.835
37 HB3 ALA 5 HB3 ALA 5 -8.341 5.829 10.147
38 H GLU 6 HN GLU 6 -7.294 7.524 8.070
39 HA GLU 6 HA GLU 6 -9.132 6.708 6.088
40 HB2 GLU 6 HB2 GLU 6 -7.522 9.250 6.412
41 HB3 GLU 6 HB1 GLU 6 -8.764 9.036 5.178
42 HG2 GLU 6 HG2 GLU 6 -10.447 8.607 6.897
43 HG3 GLU 6 HG1 GLU 6 -9.219 8.710 8.157
44 H GLU 7 HN GLU 7 -5.653 7.346 5.995
45 HA GLU 7 HA GLU 7 -5.328 7.235 3.194
46 HB2 GLU 7 HB2 GLU 7 -3.652 7.935 5.104
47 HB3 GLU 7 HB1 GLU 7 -3.191 6.233 5.066
48 HG2 GLU 7 HG2 GLU 7 -3.183 8.141 2.709
49 HG3 GLU 7 HG1 GLU 7 -1.761 7.518 3.545
50 H ILE 8 HN ILE 8 -5.302 4.758 5.707
51 HA ILE 8 HA ILE 8 -4.505 2.579 4.067
52 HB ILE 8 HB ILE 8 -6.021 2.791 6.665
53 HG12 ILE 8 HG12 ILE 8 -4.023 1.737 7.564
54 HG13 ILE 8 HG11 ILE 8 -3.402 1.436 5.942
55 HG21 ILE 8 HG21 ILE 8 -5.749 0.211 6.696
56 HG22 ILE 8 HG22 ILE 8 -5.613 0.344 4.944
57 HG23 ILE 8 HG23 ILE 8 -7.079 0.885 5.756
58 HD11 ILE 8 HD11 ILE 8 -3.025 3.745 5.541
59 HD12 ILE 8 HD12 ILE 8 -2.450 3.473 7.188
60 HD13 ILE 8 HD13 ILE 8 -4.022 4.219 6.914
61 H THR 9 HN THR 9 -7.676 3.945 4.829
62 HA THR 9 HA THR 9 -9.262 1.994 3.591
63 HB THR 9 HB THR 9 -9.763 4.970 3.874
64 HG1 THR 9 HG1 THR 9 -11.022 3.084 5.455
65 HG21 THR 9 HG21 THR 9 -11.263 4.029 2.211
66 HG22 THR 9 HG22 THR 9 -12.165 4.271 3.707
67 HG23 THR 9 HG23 THR 9 -11.619 2.655 3.258
68 H ARG 10 HN ARG 10 -7.705 4.902 2.304
69 HA ARG 10 HA ARG 10 -8.793 4.794 -0.298
70 HB2 ARG 10 HB2 ARG 10 -7.593 6.760 0.600
71 HB3 ARG 10 HB1 ARG 10 -6.087 5.841 0.567
72 HG2 ARG 10 HG2 ARG 10 -6.225 5.598 -1.846
73 HG3 ARG 10 HG1 ARG 10 -7.815 6.362 -1.869
74 HD2 ARG 10 HD2 ARG 10 -6.119 7.996 -2.508
75 HD3 ARG 10 HD1 ARG 10 -6.802 8.434 -0.945
76 HE ARG 10 HE ARG 10 -4.470 6.810 -0.621
77 HH11 ARG 10 HH11 ARG 10 -2.587 7.857 0.102
78 HH12 ARG 10 HH12 ARG 10 -2.455 9.579 -0.020
79 HH21 ARG 10 HH21 ARG 10 -5.590 9.987 -1.443
80 HH22 ARG 10 HH22 ARG 10 -4.154 10.785 -0.895
81 H CYS 11 HN CYS 11 -5.894 3.336 1.122
82 HA CYS 11 HA CYS 11 -4.882 2.206 -1.269
83 HB2 CYS 11 HB2 CYS 11 -4.445 1.809 1.648
84 HB3 CYS 11 HB1 CYS 11 -3.908 0.522 0.571
85 H LYS 12 HN LYS 12 -7.204 1.081 1.125
86 HA LYS 12 HA LYS 12 -7.401 -1.596 0.318
87 HB2 LYS 12 HB2 LYS 12 -8.423 -0.674 2.385
88 HB3 LYS 12 HB1 LYS 12 -9.604 0.182 1.394
89 HG2 LYS 12 HG2 LYS 12 -10.432 -1.941 0.493
90 HG3 LYS 12 HG1 LYS 12 -9.214 -2.825 1.413
91 HD2 LYS 12 HD2 LYS 12 -10.191 -1.996 3.517
92 HD3 LYS 12 HD1 LYS 12 -11.405 -1.099 2.602
93 HE2 LYS 12 HE2 LYS 12 -12.337 -3.235 3.382
94 HE3 LYS 12 HE1 LYS 12 -12.221 -3.225 1.622
95 HZ1 LYS 12 HZ1 LYS 12 -11.392 -5.292 2.642
96 HZ2 LYS 12 HZ2 LYS 12 -10.184 -4.399 3.436
97 HZ3 LYS 12 HZ3 LYS 12 -10.204 -4.486 1.739
98 H LYS 13 HN LYS 13 -9.144 1.294 -0.795
99 HA LYS 13 HA LYS 13 -10.837 -0.027 -2.641
100 HB2 LYS 13 HB2 LYS 13 -9.797 2.808 -2.531
101 HB3 LYS 13 HB1 LYS 13 -10.985 2.255 -3.713
102 HG2 LYS 13 HG2 LYS 13 -12.489 1.559 -1.891
103 HG3 LYS 13 HG1 LYS 13 -11.302 2.095 -0.701
104 HD2 LYS 13 HD2 LYS 13 -11.457 4.397 -1.594
105 HD3 LYS 13 HD1 LYS 13 -12.669 3.858 -2.757
106 HE2 LYS 13 HE2 LYS 13 -12.941 3.675 0.259
107 HE3 LYS 13 HE1 LYS 13 -13.718 4.887 -0.761
108 HZ1 LYS 13 HZ1 LYS 13 -14.439 2.148 -0.308
109 HZ2 LYS 13 HZ2 LYS 13 -14.360 2.539 -1.960
110 HZ3 LYS 13 HZ3 LYS 13 -15.371 3.425 -0.922
111 H LEU 14 HN LEU 14 -7.596 1.359 -2.931
112 HA LEU 14 HA LEU 14 -7.321 1.047 -5.725
113 HB2 LEU 14 HB2 LEU 14 -5.301 1.151 -3.484
114 HB3 LEU 14 HB1 LEU 14 -4.838 1.084 -5.184
115 HG LEU 14 HG LEU 14 -6.715 3.186 -4.062
116 HD11 LEU 14 HD11 LEU 14 -3.705 3.118 -4.217
117 HD12 LEU 14 HD12 LEU 14 -4.742 3.743 -2.937
118 HD13 LEU 14 HD13 LEU 14 -4.549 4.652 -4.431
119 HD21 LEU 14 HD21 LEU 14 -5.723 4.366 -6.199
120 HD22 LEU 14 HD22 LEU 14 -7.005 3.175 -6.396
121 HD23 LEU 14 HD23 LEU 14 -5.327 2.723 -6.702
122 H LEU 15 HN LEU 15 -6.584 -1.102 -3.028
123 HA LEU 15 HA LEU 15 -5.342 -3.138 -4.546
124 HB2 LEU 15 HB2 LEU 15 -6.822 -3.201 -1.910
125 HB3 LEU 15 HB1 LEU 15 -5.960 -4.590 -2.576
126 HG LEU 15 HG LEU 15 -4.671 -1.887 -2.112
127 HD11 LEU 15 HD11 LEU 15 -5.290 -2.684 0.055
128 HD12 LEU 15 HD12 LEU 15 -3.584 -3.080 -0.147
129 HD13 LEU 15 HD13 LEU 15 -4.808 -4.334 -0.342
130 HD21 LEU 15 HD21 LEU 15 -3.265 -2.979 -3.618
131 HD22 LEU 15 HD22 LEU 15 -3.696 -4.584 -3.030
132 HD23 LEU 15 HD23 LEU 15 -2.605 -3.561 -2.092
133 H ASP 16 HN ASP 16 -8.702 -2.567 -3.630
134 HA ASP 16 HA ASP 16 -9.768 -4.987 -4.620
135 HB2 ASP 16 HB2 ASP 16 -10.990 -2.257 -4.205
136 HB3 ASP 16 HB1 ASP 16 -11.923 -3.653 -4.742
137 H ASP 17 HN ASP 17 -9.106 -1.883 -6.138
138 HA ASP 17 HA ASP 17 -10.406 -2.389 -8.602
139 HB2 ASP 17 HB2 ASP 17 -8.153 -0.530 -7.838
140 HB3 ASP 17 HB1 ASP 17 -8.833 -0.589 -9.463
141 H SER 18 HN SER 18 -7.688 -3.811 -7.222
142 HA SER 18 HA SER 18 -5.962 -4.167 -9.379
143 HB2 SER 18 HB2 SER 18 -5.095 -6.091 -8.149
144 HB3 SER 18 HB1 SER 18 -5.432 -4.770 -7.032
145 HG SER 18 HG SER 18 -6.752 -7.200 -7.406
146 H SER 19 HN SER 19 -8.920 -5.757 -8.555
147 HA SER 19 HA SER 19 -8.615 -7.801 -10.607
148 HB2 SER 19 HB2 SER 19 -10.931 -7.130 -8.786
149 HB3 SER 19 HB1 SER 19 -10.922 -8.467 -9.932
150 HG SER 19 HG SER 19 -8.678 -8.414 -8.406
151 H SER 20 HN SER 20 -9.690 -4.634 -10.420
152 HA SER 20 HA SER 20 -11.642 -4.771 -12.561
153 HB2 SER 20 HB2 SER 20 -10.326 -2.336 -11.340
154 HB3 SER 20 HB1 SER 20 -11.755 -2.352 -12.371
155 HG SER 20 HG SER 20 -12.403 -2.298 -10.227
156 H1 LYS 1 HN LYS 1 -11.403 -3.874 -14.640
157 HA LYS 1 HA LYS 1 -8.698 -4.112 -15.711
158 HB2 LYS 1 HB2 LYS 1 -11.388 -3.727 -17.041
159 HB3 LYS 1 HB1 LYS 1 -9.861 -3.867 -17.913
160 HG2 LYS 1 HG2 LYS 1 -9.476 -6.082 -16.906
161 HG3 LYS 1 HG1 LYS 1 -10.996 -5.948 -16.021
162 HD2 LYS 1 HD2 LYS 1 -12.236 -5.816 -18.141
163 HD3 LYS 1 HD1 LYS 1 -10.722 -5.913 -19.041
164 HE2 LYS 1 HE2 LYS 1 -11.791 -8.123 -18.935
165 HE3 LYS 1 HE1 LYS 1 -10.276 -8.133 -18.031
166 HZ1 LYS 1 HZ1 LYS 1 -11.343 -8.506 -16.129
167 HZ2 LYS 1 HZ2 LYS 1 -12.698 -8.902 -17.075
168 HZ3 LYS 1 HZ3 LYS 1 -12.527 -7.333 -16.445
169 H ASN 2 HN ASN 2 -10.043 -1.765 -14.116
170 HA ASN 2 HA ASN 2 -10.040 0.439 -15.840
171 HB2 ASN 2 HB2 ASN 2 -9.973 1.820 -13.816
172 HB3 ASN 2 HB1 ASN 2 -11.115 0.489 -13.627
173 HD21 ASN 2 HD21 ASN 2 -8.160 -0.981 -13.513
174 HD22 ASN 2 HD22 ASN 2 -7.887 -0.932 -11.839
175 HA PRO 3 HA PRO 3 -5.769 1.412 -16.557
176 HB2 PRO 3 HB2 PRO 3 -6.370 4.209 -15.654
177 HB3 PRO 3 HB1 PRO 3 -5.663 3.646 -17.182
178 HG2 PRO 3 HG2 PRO 3 -8.172 4.496 -17.081
179 HG3 PRO 3 HG1 PRO 3 -7.717 3.112 -18.091
180 HD2 PRO 3 HD2 PRO 3 -9.129 3.149 -15.452
181 HD3 PRO 3 HD1 PRO 3 -9.381 2.106 -16.867
182 H GLU 4 HN GLU 4 -7.239 2.349 -13.522
183 HA GLU 4 HA GLU 4 -4.943 3.139 -12.097
184 HB2 GLU 4 HB2 GLU 4 -7.521 1.869 -11.142
185 HB3 GLU 4 HB1 GLU 4 -6.297 2.550 -10.071
186 HG2 GLU 4 HG2 GLU 4 -6.540 4.741 -11.139
187 HG3 GLU 4 HG1 GLU 4 -7.714 4.077 -12.274
188 H ALA 5 HN ALA 5 -5.921 0.086 -13.258
189 HA ALA 5 HA ALA 5 -4.885 -1.669 -11.332
190 HB1 ALA 5 HB1 ALA 5 -6.263 -2.357 -13.292
191 HB2 ALA 5 HB2 ALA 5 -4.791 -3.315 -13.122
192 HB3 ALA 5 HB3 ALA 5 -4.879 -2.041 -14.338
193 H GLU 6 HN GLU 6 -3.311 0.305 -13.746
194 HA GLU 6 HA GLU 6 -0.806 -0.997 -13.830
195 HB2 GLU 6 HB2 GLU 6 -1.583 1.896 -14.257
196 HB3 GLU 6 HB1 GLU 6 0.042 1.273 -14.544
197 HG2 GLU 6 HG2 GLU 6 -0.827 -0.328 -16.177
198 HG3 GLU 6 HG1 GLU 6 -2.475 0.206 -15.853
199 H GLU 7 HN GLU 7 -2.157 1.442 -11.654
200 HA GLU 7 HA GLU 7 0.221 2.056 -10.262
201 HB2 GLU 7 HB2 GLU 7 -2.159 3.190 -10.207
202 HB3 GLU 7 HB1 GLU 7 -2.457 2.066 -8.880
203 HG2 GLU 7 HG2 GLU 7 -0.187 4.071 -9.058
204 HG3 GLU 7 HG1 GLU 7 -1.590 4.181 -7.996
205 H ILE 8 HN ILE 8 -2.251 -0.420 -9.808
206 HA ILE 8 HA ILE 8 -1.285 -1.452 -7.342
207 HB ILE 8 HB ILE 8 -2.971 -2.594 -9.566
208 HG12 ILE 8 HG12 ILE 8 -4.711 -2.525 -7.868
209 HG13 ILE 8 HG11 ILE 8 -3.533 -2.126 -6.620
210 HG21 ILE 8 HG21 ILE 8 -3.323 -4.555 -7.914
211 HG22 ILE 8 HG22 ILE 8 -1.799 -4.045 -7.191
212 HG23 ILE 8 HG23 ILE 8 -1.845 -4.557 -8.875
213 HD11 ILE 8 HD11 ILE 8 -3.153 0.037 -7.518
214 HD12 ILE 8 HD12 ILE 8 -4.903 -0.177 -7.590
215 HD13 ILE 8 HD13 ILE 8 -3.928 -0.380 -9.043
216 H THR 9 HN THR 9 -0.520 -2.219 -10.706
217 HA THR 9 HA THR 9 1.114 -4.449 -10.249
218 HB THR 9 HB THR 9 1.311 -2.358 -12.433
219 HG1 THR 9 HG1 THR 9 0.249 -4.866 -12.882
220 HG21 THR 9 HG21 THR 9 3.358 -3.644 -12.346
221 HG22 THR 9 HG22 THR 9 2.392 -4.252 -13.690
222 HG23 THR 9 HG23 THR 9 2.456 -5.149 -12.173
223 H ARG 10 HN ARG 10 1.846 -0.988 -10.301
224 HA ARG 10 HA ARG 10 4.647 -1.185 -10.020
225 HB2 ARG 10 HB2 ARG 10 3.477 0.907 -10.631
226 HB3 ARG 10 HB1 ARG 10 2.805 0.992 -9.002
227 HG2 ARG 10 HG2 ARG 10 5.029 1.167 -8.037
228 HG3 ARG 10 HG1 ARG 10 5.773 0.926 -9.618
229 HD2 ARG 10 HD2 ARG 10 5.762 3.305 -9.086
230 HD3 ARG 10 HD1 ARG 10 4.661 2.998 -10.426
231 HE ARG 10 HE ARG 10 3.278 2.891 -7.923
232 HH11 ARG 10 HH11 ARG 10 1.918 4.641 -7.429
233 HH12 ARG 10 HH12 ARG 10 2.097 6.141 -8.276
234 HH21 ARG 10 HH21 ARG 10 4.718 5.020 -10.250
235 HH22 ARG 10 HH22 ARG 10 3.682 6.356 -9.873
236 H CYS 11 HN CYS 11 2.027 -1.054 -7.638
237 HA CYS 11 HA CYS 11 3.677 -0.972 -5.335
238 HB2 CYS 11 HB2 CYS 11 0.820 -1.595 -5.910
239 HB3 CYS 11 HB1 CYS 11 1.470 -2.122 -4.358
240 H LYS 12 HN LYS 12 2.402 -3.608 -7.285
241 HA LYS 12 HA LYS 12 2.988 -5.741 -5.563
242 HB2 LYS 12 HB2 LYS 12 1.629 -5.941 -7.632
243 HB3 LYS 12 HB1 LYS 12 3.093 -5.717 -8.589
244 HG2 LYS 12 HG2 LYS 12 4.080 -7.734 -7.599
245 HG3 LYS 12 HG1 LYS 12 2.655 -7.947 -6.582
246 HD2 LYS 12 HD2 LYS 12 1.249 -8.210 -8.581
247 HD3 LYS 12 HD1 LYS 12 2.659 -7.967 -9.613
248 HE2 LYS 12 HE2 LYS 12 2.191 -10.366 -9.366
249 HE3 LYS 12 HE1 LYS 12 3.728 -9.961 -8.603
250 HZ1 LYS 12 HZ1 LYS 12 2.300 -11.391 -7.220
251 HZ2 LYS 12 HZ2 LYS 12 1.138 -10.153 -7.166
252 HZ3 LYS 12 HZ3 LYS 12 2.670 -9.915 -6.472
253 H LYS 13 HN LYS 13 4.967 -4.146 -8.044
254 HA LYS 13 HA LYS 13 7.240 -5.813 -7.785
255 HB2 LYS 13 HB2 LYS 13 6.935 -2.953 -8.708
256 HB3 LYS 13 HB1 LYS 13 8.458 -3.840 -8.784
257 HG2 LYS 13 HG2 LYS 13 7.387 -5.572 -10.174
258 HG3 LYS 13 HG1 LYS 13 5.860 -4.691 -10.098
259 HD2 LYS 13 HD2 LYS 13 6.937 -2.746 -11.183
260 HD3 LYS 13 HD1 LYS 13 8.448 -3.650 -11.289
261 HE2 LYS 13 HE2 LYS 13 5.822 -4.476 -12.562
262 HE3 LYS 13 HE1 LYS 13 7.187 -3.755 -13.416
263 HZ1 LYS 13 HZ1 LYS 13 6.817 -6.455 -12.509
264 HZ2 LYS 13 HZ2 LYS 13 8.321 -5.803 -12.060
265 HZ3 LYS 13 HZ3 LYS 13 7.863 -5.845 -13.696
266 H LEU 14 HN LEU 14 6.246 -2.846 -6.137
267 HA LEU 14 HA LEU 14 8.626 -2.429 -4.674
268 HB2 LEU 14 HB2 LEU 14 5.756 -1.652 -4.145
269 HB3 LEU 14 HB1 LEU 14 7.094 -1.130 -3.121
270 HG LEU 14 HG LEU 14 7.023 -0.671 -6.119
271 HD11 LEU 14 HD11 LEU 14 5.907 0.969 -3.850
272 HD12 LEU 14 HD12 LEU 14 5.228 0.667 -5.448
273 HD13 LEU 14 HD13 LEU 14 6.572 1.787 -5.263
274 HD21 LEU 14 HD21 LEU 14 8.636 1.237 -5.260
275 HD22 LEU 14 HD22 LEU 14 9.255 -0.399 -5.455
276 HD23 LEU 14 HD23 LEU 14 8.815 0.190 -3.852
277 H LEU 15 HN LEU 15 5.707 -4.276 -3.957
278 HA LEU 15 HA LEU 15 6.387 -4.972 -1.303
279 HB2 LEU 15 HB2 LEU 15 4.630 -6.325 -3.358
280 HB3 LEU 15 HB1 LEU 15 4.752 -6.857 -1.680
281 HG LEU 15 HG LEU 15 4.013 -4.030 -2.485
282 HD11 LEU 15 HD11 LEU 15 2.248 -5.388 -3.329
283 HD12 LEU 15 HD12 LEU 15 1.678 -4.781 -1.774
284 HD13 LEU 15 HD13 LEU 15 2.276 -6.434 -1.908
285 HD21 LEU 15 HD21 LEU 15 4.682 -3.886 -0.253
286 HD22 LEU 15 HD22 LEU 15 4.179 -5.534 0.122
287 HD23 LEU 15 HD23 LEU 15 2.972 -4.257 -0.053
288 H ASP 16 HN ASP 16 7.028 -6.516 -4.410
289 HA ASP 16 HA ASP 16 8.182 -8.892 -3.411
290 HB2 ASP 16 HB2 ASP 16 8.539 -7.406 -6.016
291 HB3 ASP 16 HB1 ASP 16 9.310 -8.956 -5.683
292 H ASP 17 HN ASP 17 9.517 -5.715 -4.118
293 HA ASP 17 HA ASP 17 12.251 -6.383 -3.809
294 HB2 ASP 17 HB2 ASP 17 10.757 -3.771 -3.538
295 HB3 ASP 17 HB1 ASP 17 12.508 -3.895 -3.379
296 H SER 18 HN SER 18 9.743 -6.312 -1.571
297 HA SER 18 HA SER 18 10.925 -5.255 0.718
298 HB2 SER 18 HB2 SER 18 9.300 -6.581 1.967
299 HB3 SER 18 HB1 SER 18 8.535 -5.902 0.530
300 HG SER 18 HG SER 18 9.217 -8.530 1.143
301 H SER 19 HN SER 19 11.319 -8.323 -0.825
302 HA SER 19 HA SER 19 12.869 -9.446 1.368
303 HB2 SER 19 HB2 SER 19 12.291 -10.501 -1.402
304 HB3 SER 19 HB1 SER 19 13.186 -11.378 -0.166
305 HG SER 19 HG SER 19 10.836 -10.359 0.759
306 H SER 20 HN SER 20 13.430 -7.474 -1.277
307 HA SER 20 HA SER 20 16.178 -8.269 -1.764
308 HB2 SER 20 HB2 SER 20 14.755 -5.765 -2.685
309 HB3 SER 20 HB1 SER 20 16.258 -6.426 -3.322
310 HG SER 20 HG SER 20 14.630 -7.130 -4.644
311 H1 LYS 1 HN LYS 1 18.029 -7.026 -1.290
312 HA LYS 1 HA LYS 1 17.833 -5.534 1.211
313 HB2 LYS 1 HB2 LYS 1 20.196 -6.453 -0.437
314 HB3 LYS 1 HB1 LYS 1 20.338 -5.543 1.067
315 HG2 LYS 1 HG2 LYS 1 19.101 -7.312 2.260
316 HG3 LYS 1 HG1 LYS 1 18.958 -8.226 0.758
317 HD2 LYS 1 HD2 LYS 1 21.412 -8.382 0.608
318 HD3 LYS 1 HD1 LYS 1 21.566 -7.447 2.095
319 HE2 LYS 1 HE2 LYS 1 21.770 -9.848 2.577
320 HE3 LYS 1 HE1 LYS 1 20.305 -9.197 3.315
321 HZ1 LYS 1 HZ1 LYS 1 19.027 -10.475 2.041
322 HZ2 LYS 1 HZ2 LYS 1 20.434 -11.343 1.647
323 HZ3 LYS 1 HZ3 LYS 1 19.888 -10.097 0.630
324 H ASN 2 HN ASN 2 17.141 -4.667 -1.728
325 HA ASN 2 HA ASN 2 18.857 -2.545 -2.334
326 HB2 ASN 2 HB2 ASN 2 17.094 -1.761 -3.850
327 HB3 ASN 2 HB1 ASN 2 17.314 -3.505 -3.988
328 HD21 ASN 2 HD21 ASN 2 15.859 -3.095 -1.045
329 HD22 ASN 2 HD22 ASN 2 14.236 -3.239 -1.516
330 HA PRO 3 HA PRO 3 17.782 0.733 0.462
331 HB2 PRO 3 HB2 PRO 3 17.447 2.512 -1.929
332 HB3 PRO 3 HB1 PRO 3 18.487 2.723 -0.506
333 HG2 PRO 3 HG2 PRO 3 19.512 2.014 -2.849
334 HG3 PRO 3 HG1 PRO 3 20.130 1.329 -1.334
335 HD2 PRO 3 HD2 PRO 3 18.342 0.082 -3.386
336 HD3 PRO 3 HD1 PRO 3 19.644 -0.638 -2.416
337 H GLU 4 HN GLU 4 15.741 0.112 -2.311
338 HA GLU 4 HA GLU 4 13.545 1.756 -1.669
339 HB2 GLU 4 HB2 GLU 4 13.675 -0.871 -3.171
340 HB3 GLU 4 HB1 GLU 4 12.244 0.158 -3.095
341 HG2 GLU 4 HG2 GLU 4 13.492 2.011 -4.106
342 HG3 GLU 4 HG1 GLU 4 14.955 1.028 -4.137
343 H ALA 5 HN ALA 5 14.764 -1.050 -0.165
344 HA ALA 5 HA ALA 5 12.450 -2.274 0.834
345 HB1 ALA 5 HB1 ALA 5 14.750 -3.218 1.009
346 HB2 ALA 5 HB2 ALA 5 13.891 -3.223 2.550
347 HB3 ALA 5 HB3 ALA 5 15.124 -2.003 2.231
348 H GLU 6 HN GLU 6 14.103 0.655 1.777
349 HA GLU 6 HA GLU 6 13.006 0.984 4.359
350 HB2 GLU 6 HB2 GLU 6 13.944 2.992 2.299
351 HB3 GLU 6 HB1 GLU 6 13.458 3.435 3.936
352 HG2 GLU 6 HG2 GLU 6 15.181 1.989 4.880
353 HG3 GLU 6 HG1 GLU 6 15.627 1.425 3.271
354 H GLU 7 HN GLU 7 11.811 1.820 1.135
355 HA GLU 7 HA GLU 7 9.587 3.355 1.951
356 HB2 GLU 7 HB2 GLU 7 10.642 2.967 -0.434
357 HB3 GLU 7 HB1 GLU 7 9.487 1.635 -0.522
358 HG2 GLU 7 HG2 GLU 7 8.833 4.546 0.027
359 HG3 GLU 7 HG1 GLU 7 8.481 3.662 -1.457
360 H ILE 8 HN ILE 8 10.043 -0.104 1.418
361 HA ILE 8 HA ILE 8 7.329 -0.882 1.743
362 HB ILE 8 HB ILE 8 9.965 -2.313 2.055
363 HG12 ILE 8 HG12 ILE 8 9.183 -3.533 0.101
364 HG13 ILE 8 HG11 ILE 8 7.585 -2.801 0.233
365 HG21 ILE 8 HG21 ILE 8 8.484 -4.418 2.288
366 HG22 ILE 8 HG22 ILE 8 7.212 -3.311 2.796
367 HG23 ILE 8 HG23 ILE 8 8.703 -3.423 3.726
368 HD11 ILE 8 HD11 ILE 8 8.405 -0.652 -0.372
369 HD12 ILE 8 HD12 ILE 8 9.177 -1.773 -1.497
370 HD13 ILE 8 HD13 ILE 8 10.078 -1.144 -0.120
371 H THR 9 HN THR 9 9.972 -0.449 4.050
372 HA THR 9 HA THR 9 8.690 -1.460 6.326
373 HB THR 9 HB THR 9 10.727 0.773 6.120
374 HG1 THR 9 HG1 THR 9 11.453 -1.722 6.998
375 HG21 THR 9 HG21 THR 9 9.681 0.835 8.295
376 HG22 THR 9 HG22 THR 9 11.252 0.056 8.479
377 HG23 THR 9 HG23 THR 9 9.782 -0.918 8.447
378 H ARG 10 HN ARG 10 8.683 1.773 4.889
379 HA ARG 10 HA ARG 10 7.210 3.083 6.908
380 HB2 ARG 10 HB2 ARG 10 8.419 4.271 5.105
381 HB3 ARG 10 HB1 ARG 10 7.249 3.659 3.936
382 HG2 ARG 10 HG2 ARG 10 5.437 4.829 5.057
383 HG3 ARG 10 HG1 ARG 10 6.522 5.342 6.350
384 HD2 ARG 10 HD2 ARG 10 6.220 7.173 4.763
385 HD3 ARG 10 HD1 ARG 10 7.880 6.588 4.686
386 HE ARG 10 HE ARG 10 6.233 5.253 2.764
387 HH11 ARG 10 HH11 ARG 10 6.527 5.834 0.588
388 HH12 ARG 10 HH12 ARG 10 7.326 7.318 0.190
389 HH21 ARG 10 HH21 ARG 10 7.857 8.227 3.494
390 HH22 ARG 10 HH22 ARG 10 8.078 8.673 1.835
391 H CYS 11 HN CYS 11 6.203 1.309 4.010
392 HA CYS 11 HA CYS 11 3.427 1.831 4.246
393 HB2 CYS 11 HB2 CYS 11 5.133 -0.120 2.777
394 HB3 CYS 11 HB1 CYS 11 3.427 -0.523 2.957
395 H LYS 12 HN LYS 12 5.533 -0.641 5.610
396 HA LYS 12 HA LYS 12 3.572 -2.386 6.594
397 HB2 LYS 12 HB2 LYS 12 6.000 -2.896 6.540
398 HB3 LYS 12 HB1 LYS 12 6.255 -1.722 7.831
399 HG2 LYS 12 HG2 LYS 12 4.800 -3.005 9.327
400 HG3 LYS 12 HG1 LYS 12 4.460 -4.158 8.036
401 HD2 LYS 12 HD2 LYS 12 6.843 -4.766 7.939
402 HD3 LYS 12 HD1 LYS 12 7.198 -3.600 9.215
403 HE2 LYS 12 HE2 LYS 12 6.993 -5.850 10.170
404 HE3 LYS 12 HE1 LYS 12 5.671 -4.830 10.738
405 HZ1 LYS 12 HZ1 LYS 12 4.927 -7.036 10.004
406 HZ2 LYS 12 HZ2 LYS 12 5.498 -6.702 8.439
407 HZ3 LYS 12 HZ3 LYS 12 4.226 -5.787 9.096
408 H LYS 13 HN LYS 13 5.082 0.473 8.066
409 HA LYS 13 HA LYS 13 3.746 0.311 10.556
410 HB2 LYS 13 HB2 LYS 13 4.935 2.647 9.054
411 HB3 LYS 13 HB1 LYS 13 4.277 2.779 10.685
412 HG2 LYS 13 HG2 LYS 13 5.847 1.047 11.467
413 HG3 LYS 13 HG1 LYS 13 6.505 0.904 9.836
414 HD2 LYS 13 HD2 LYS 13 7.177 3.285 9.907
415 HD3 LYS 13 HD1 LYS 13 6.551 3.405 11.552
416 HE2 LYS 13 HE2 LYS 13 8.752 1.519 10.656
417 HE3 LYS 13 HE1 LYS 13 9.001 3.028 11.535
418 HZ1 LYS 13 HZ1 LYS 13 8.107 0.470 12.499
419 HZ2 LYS 13 HZ2 LYS 13 7.138 1.763 13.025
420 HZ3 LYS 13 HZ3 LYS 13 8.806 1.763 13.345
421 H LEU 14 HN LEU 14 2.916 1.877 7.496
422 HA LEU 14 HA LEU 14 0.614 3.243 8.399
423 HB2 LEU 14 HB2 LEU 14 1.426 2.206 5.681
424 HB3 LEU 14 HB1 LEU 14 -0.030 3.166 5.944
425 HG LEU 14 HG LEU 14 2.729 4.079 6.813
426 HD11 LEU 14 HD11 LEU 14 1.326 4.334 4.161
427 HD12 LEU 14 HD12 LEU 14 3.033 4.061 4.502
428 HD13 LEU 14 HD13 LEU 14 2.341 5.663 4.724
429 HD21 LEU 14 HD21 LEU 14 1.411 6.350 6.516
430 HD22 LEU 14 HD22 LEU 14 1.181 5.400 7.980
431 HD23 LEU 14 HD23 LEU 14 -0.015 5.325 6.684
432 H LEU 15 HN LEU 15 1.076 0.003 7.081
433 HA LEU 15 HA LEU 15 -1.658 -0.699 6.933
434 HB2 LEU 15 HB2 LEU 15 0.840 -2.368 7.254
435 HB3 LEU 15 HB1 LEU 15 -0.764 -3.059 6.999
436 HG LEU 15 HG LEU 15 0.492 -1.017 5.144
437 HD11 LEU 15 HD11 LEU 15 1.895 -2.948 5.012
438 HD12 LEU 15 HD12 LEU 15 0.806 -3.035 3.628
439 HD13 LEU 15 HD13 LEU 15 0.508 -4.039 5.046
440 HD21 LEU 15 HD21 LEU 15 -1.796 -0.957 4.679
441 HD22 LEU 15 HD22 LEU 15 -2.044 -2.646 5.123
442 HD23 LEU 15 HD23 LEU 15 -1.277 -2.238 3.587
443 H ASP 16 HN ASP 16 0.745 -1.017 9.498
444 HA ASP 16 HA ASP 16 -0.837 -2.510 11.299
445 HB2 ASP 16 HB2 ASP 16 1.467 -0.605 11.726
446 HB3 ASP 16 HB1 ASP 16 0.718 -1.515 13.037
447 H ASP 17 HN ASP 17 -0.520 0.948 10.716
448 HA ASP 17 HA ASP 17 -2.019 1.840 12.944
449 HB2 ASP 17 HB2 ASP 17 -1.430 3.097 10.261
450 HB3 ASP 17 HB1 ASP 17 -2.330 3.925 11.531
451 H SER 18 HN SER 18 -2.959 0.112 10.210
452 HA SER 18 HA SER 18 -5.449 1.185 9.574
453 HB2 SER 18 HB2 SER 18 -5.978 -1.025 8.670
454 HB3 SER 18 HB1 SER 18 -4.313 -0.598 8.280
455 HG SER 18 HG SER 18 -5.322 -2.489 10.066
456 H SER 19 HN SER 19 -4.452 -0.825 12.204
457 HA SER 19 HA SER 19 -7.173 -1.317 13.115
458 HB2 SER 19 HB2 SER 19 -4.505 -1.964 14.375
459 HB3 SER 19 HB1 SER 19 -6.064 -2.426 15.048
460 HG SER 19 HG SER 19 -5.887 -3.068 12.427
461 H SER 20 HN SER 20 -4.878 1.103 13.413
462 HA SER 20 HA SER 20 -5.669 2.050 16.039
463 HB2 SER 20 HB2 SER 20 -4.048 3.488 13.931
464 HB3 SER 20 HB1 SER 20 -4.167 3.900 15.639
465 HG SER 20 HG SER 20 -2.335 2.694 15.407
466 H2 ZBR 100 HA3 TBS 100 -1.667 0.900 -1.590
467 H4 ZBR 100 HC3 TBS 100 1.114 1.126 1.720
468 H6 ZBR 100 HB3 TBS 100 2.472 -0.236 -2.167
469 H7 ZBR 100 HB11 TBS 100 -0.782 0.659 -3.787
470 H7A ZBR 100 HB12 TBS 100 -0.334 -1.026 -3.538
471 H8 ZBR 100 HA11 TBS 100 -1.001 2.182 1.866
472 H8A ZBR 100 HA12 TBS 100 -1.923 0.706 1.585
473 H9 ZBR 100 HC11 TBS 100 4.046 0.347 -0.482
474 H9A ZBR 100 HC12 TBS 100 3.443 -0.789 0.724
Start of MODEL 7
1 H1 LYS 1 HN LYS 1 -6.551 4.252 16.558
2 HA LYS 1 HA LYS 1 -8.708 4.666 14.619
3 HB2 LYS 1 HB2 LYS 1 -8.345 5.597 17.461
4 HB3 LYS 1 HB1 LYS 1 -9.767 5.936 16.476
5 HG2 LYS 1 HG2 LYS 1 -10.103 3.482 16.172
6 HG3 LYS 1 HG1 LYS 1 -8.745 3.190 17.258
7 HD2 LYS 1 HD2 LYS 1 -11.154 4.835 18.063
8 HD3 LYS 1 HD1 LYS 1 -11.059 3.096 18.337
9 HE2 LYS 1 HE2 LYS 1 -8.858 3.537 19.556
10 HE3 LYS 1 HE1 LYS 1 -9.263 5.249 19.481
11 HZ1 LYS 1 HZ1 LYS 1 -10.479 4.959 21.270
12 HZ2 LYS 1 HZ2 LYS 1 -10.233 3.279 21.242
13 HZ3 LYS 1 HZ3 LYS 1 -11.526 3.965 20.379
14 H ASN 2 HN ASN 2 -5.797 5.828 14.703
15 HA ASN 2 HA ASN 2 -6.005 8.578 14.976
16 HB2 ASN 2 HB2 ASN 2 -3.974 8.627 13.423
17 HB3 ASN 2 HB1 ASN 2 -3.818 7.686 14.906
18 HD21 ASN 2 HD21 ASN 2 -5.328 6.962 11.696
19 HD22 ASN 2 HD22 ASN 2 -4.473 5.514 11.479
20 HA PRO 3 HA PRO 3 -8.198 10.091 11.428
21 HB2 PRO 3 HB2 PRO 3 -5.865 11.912 10.917
22 HB3 PRO 3 HB1 PRO 3 -7.582 12.313 11.126
23 HG2 PRO 3 HG2 PRO 3 -5.827 12.788 13.060
24 HG3 PRO 3 HG1 PRO 3 -7.463 12.210 13.430
25 HD2 PRO 3 HD2 PRO 3 -4.875 10.711 13.465
26 HD3 PRO 3 HD1 PRO 3 -6.293 10.575 14.525
27 H GLU 4 HN GLU 4 -4.868 9.098 11.107
28 HA GLU 4 HA GLU 4 -4.607 9.151 8.299
29 HB2 GLU 4 HB2 GLU 4 -3.285 7.407 10.386
30 HB3 GLU 4 HB1 GLU 4 -2.824 7.419 8.684
31 HG2 GLU 4 HG2 GLU 4 -2.308 9.805 8.809
32 HG3 GLU 4 HG1 GLU 4 -2.843 9.854 10.488
33 H ALA 5 HN ALA 5 -6.600 7.282 10.275
34 HA ALA 5 HA ALA 5 -6.635 4.780 9.032
35 HB1 ALA 5 HB1 ALA 5 -8.765 4.454 10.047
36 HB2 ALA 5 HB2 ALA 5 -9.089 6.187 10.088
37 HB3 ALA 5 HB3 ALA 5 -7.862 5.496 11.148
38 H GLU 6 HN GLU 6 -7.943 7.862 8.022
39 HA GLU 6 HA GLU 6 -9.792 6.958 6.084
40 HB2 GLU 6 HB2 GLU 6 -8.158 9.493 6.278
41 HB3 GLU 6 HB1 GLU 6 -9.396 9.229 5.049
42 HG2 GLU 6 HG2 GLU 6 -11.087 8.894 6.788
43 HG3 GLU 6 HG1 GLU 6 -9.860 9.075 8.041
44 H GLU 7 HN GLU 7 -6.319 7.638 5.915
45 HA GLU 7 HA GLU 7 -6.041 7.241 3.117
46 HB2 GLU 7 HB2 GLU 7 -4.049 7.012 5.385
47 HB3 GLU 7 HB1 GLU 7 -3.610 6.903 3.680
48 HG2 GLU 7 HG2 GLU 7 -5.068 9.257 4.912
49 HG3 GLU 7 HG1 GLU 7 -3.326 9.206 4.641
50 H ILE 8 HN ILE 8 -5.925 5.091 5.900
51 HA ILE 8 HA ILE 8 -4.916 2.775 4.577
52 HB ILE 8 HB ILE 8 -6.873 2.863 6.897
53 HG12 ILE 8 HG12 ILE 8 -5.008 4.326 7.421
54 HG13 ILE 8 HG11 ILE 8 -4.782 2.818 8.301
55 HG21 ILE 8 HG21 ILE 8 -6.446 0.640 5.839
56 HG22 ILE 8 HG22 ILE 8 -5.831 0.729 7.488
57 HG23 ILE 8 HG23 ILE 8 -4.721 0.869 6.126
58 HD11 ILE 8 HD11 ILE 8 -2.662 3.264 7.384
59 HD12 ILE 8 HD12 ILE 8 -3.334 3.807 5.852
60 HD13 ILE 8 HD13 ILE 8 -3.349 2.091 6.259
61 H THR 9 HN THR 9 -8.216 3.976 5.063
62 HA THR 9 HA THR 9 -9.564 1.780 3.913
63 HB THR 9 HB THR 9 -10.354 4.703 3.988
64 HG1 THR 9 HG1 THR 9 -9.985 3.110 5.928
65 HG21 THR 9 HG21 THR 9 -11.694 3.608 2.337
66 HG22 THR 9 HG22 THR 9 -12.678 3.698 3.797
67 HG23 THR 9 HG23 THR 9 -11.896 2.181 3.351
68 H ARG 10 HN ARG 10 -8.233 4.749 2.503
69 HA ARG 10 HA ARG 10 -9.194 4.376 -0.127
70 HB2 ARG 10 HB2 ARG 10 -8.226 6.504 0.725
71 HB3 ARG 10 HB1 ARG 10 -6.634 5.743 0.736
72 HG2 ARG 10 HG2 ARG 10 -6.766 5.356 -1.678
73 HG3 ARG 10 HG1 ARG 10 -8.395 6.034 -1.716
74 HD2 ARG 10 HD2 ARG 10 -6.877 7.770 -2.417
75 HD3 ARG 10 HD1 ARG 10 -7.443 8.175 -0.801
76 HE ARG 10 HE ARG 10 -5.289 7.732 0.033
77 HH11 ARG 10 HH11 ARG 10 -3.056 7.495 -0.292
78 HH12 ARG 10 HH12 ARG 10 -2.462 7.058 -1.859
79 HH21 ARG 10 HH21 ARG 10 -5.607 6.914 -3.305
80 HH22 ARG 10 HH22 ARG 10 -3.906 6.729 -3.563
81 H CYS 11 HN CYS 11 -6.210 3.328 1.482
82 HA CYS 11 HA CYS 11 -4.883 2.244 -0.732
83 HB2 CYS 11 HB2 CYS 11 -3.951 2.557 1.589
84 HB3 CYS 11 HB1 CYS 11 -4.838 1.112 2.069
85 H LYS 12 HN LYS 12 -7.322 0.848 1.413
86 HA LYS 12 HA LYS 12 -7.280 -1.780 0.378
87 HB2 LYS 12 HB2 LYS 12 -8.383 -1.116 2.487
88 HB3 LYS 12 HB1 LYS 12 -9.629 -0.283 1.560
89 HG2 LYS 12 HG2 LYS 12 -10.168 -2.437 0.410
90 HG3 LYS 12 HG1 LYS 12 -8.982 -3.245 1.432
91 HD2 LYS 12 HD2 LYS 12 -11.278 -1.649 2.573
92 HD3 LYS 12 HD1 LYS 12 -11.421 -3.368 2.206
93 HE2 LYS 12 HE2 LYS 12 -9.377 -3.738 3.671
94 HE3 LYS 12 HE1 LYS 12 -9.524 -2.056 4.172
95 HZ1 LYS 12 HZ1 LYS 12 -10.867 -4.224 5.203
96 HZ2 LYS 12 HZ2 LYS 12 -12.027 -3.338 4.334
97 HZ3 LYS 12 HZ3 LYS 12 -11.121 -2.587 5.561
98 H LYS 13 HN LYS 13 -9.152 1.101 -0.521
99 HA LYS 13 HA LYS 13 -10.792 -0.125 -2.459
100 HB2 LYS 13 HB2 LYS 13 -9.809 2.713 -2.149
101 HB3 LYS 13 HB1 LYS 13 -10.948 2.231 -3.408
102 HG2 LYS 13 HG2 LYS 13 -12.487 1.369 -1.670
103 HG3 LYS 13 HG1 LYS 13 -11.351 1.880 -0.420
104 HD2 LYS 13 HD2 LYS 13 -11.566 4.217 -1.160
105 HD3 LYS 13 HD1 LYS 13 -12.678 3.719 -2.437
106 HE2 LYS 13 HE2 LYS 13 -14.251 2.864 -0.743
107 HE3 LYS 13 HE1 LYS 13 -13.143 3.350 0.537
108 HZ1 LYS 13 HZ1 LYS 13 -13.895 5.386 -1.407
109 HZ2 LYS 13 HZ2 LYS 13 -13.624 5.526 0.264
110 HZ3 LYS 13 HZ3 LYS 13 -15.094 4.900 -0.311
111 H LEU 14 HN LEU 14 -7.584 1.357 -2.686
112 HA LEU 14 HA LEU 14 -7.328 1.206 -5.498
113 HB2 LEU 14 HB2 LEU 14 -5.243 1.150 -3.302
114 HB3 LEU 14 HB1 LEU 14 -4.873 1.335 -5.015
115 HG LEU 14 HG LEU 14 -6.708 3.182 -3.463
116 HD11 LEU 14 HD11 LEU 14 -3.747 3.275 -4.015
117 HD12 LEU 14 HD12 LEU 14 -4.621 3.676 -2.537
118 HD13 LEU 14 HD13 LEU 14 -4.664 4.775 -3.909
119 HD21 LEU 14 HD21 LEU 14 -7.310 3.449 -5.705
120 HD22 LEU 14 HD22 LEU 14 -5.686 3.093 -6.295
121 HD23 LEU 14 HD23 LEU 14 -6.034 4.653 -5.543
122 H LEU 15 HN LEU 15 -6.456 -1.052 -2.916
123 HA LEU 15 HA LEU 15 -5.248 -2.996 -4.591
124 HB2 LEU 15 HB2 LEU 15 -6.547 -3.219 -1.869
125 HB3 LEU 15 HB1 LEU 15 -5.672 -4.535 -2.651
126 HG LEU 15 HG LEU 15 -4.469 -1.798 -2.153
127 HD11 LEU 15 HD11 LEU 15 -4.939 -2.752 0.010
128 HD12 LEU 15 HD12 LEU 15 -3.218 -2.979 -0.308
129 HD13 LEU 15 HD13 LEU 15 -4.335 -4.330 -0.502
130 HD21 LEU 15 HD21 LEU 15 -3.457 -4.422 -3.246
131 HD22 LEU 15 HD22 LEU 15 -2.344 -3.388 -2.348
132 HD23 LEU 15 HD23 LEU 15 -3.131 -2.780 -3.799
133 H ASP 16 HN ASP 16 -8.552 -2.517 -3.474
134 HA ASP 16 HA ASP 16 -9.640 -4.933 -4.442
135 HB2 ASP 16 HB2 ASP 16 -10.863 -2.224 -3.912
136 HB3 ASP 16 HB1 ASP 16 -11.814 -3.610 -4.441
137 H ASP 17 HN ASP 17 -9.013 -1.841 -5.972
138 HA ASP 17 HA ASP 17 -10.480 -2.266 -8.349
139 HB2 ASP 17 HB2 ASP 17 -8.080 -0.535 -7.740
140 HB3 ASP 17 HB1 ASP 17 -8.901 -0.533 -9.299
141 H SER 18 HN SER 18 -7.778 -3.858 -7.152
142 HA SER 18 HA SER 18 -6.189 -4.267 -9.404
143 HB2 SER 18 HB2 SER 18 -5.359 -6.250 -8.256
144 HB3 SER 18 HB1 SER 18 -5.580 -4.951 -7.088
145 HG SER 18 HG SER 18 -6.504 -7.225 -6.728
146 H SER 19 HN SER 19 -9.258 -5.557 -8.564
147 HA SER 19 HA SER 19 -9.153 -7.674 -10.564
148 HB2 SER 19 HB2 SER 19 -11.372 -8.263 -9.820
149 HB3 SER 19 HB1 SER 19 -10.372 -7.972 -8.400
150 HG SER 19 HG SER 19 -12.299 -6.863 -8.160
151 H SER 20 HN SER 20 -9.948 -4.407 -10.430
152 HA SER 20 HA SER 20 -11.877 -4.419 -12.595
153 HB2 SER 20 HB2 SER 20 -12.156 -2.669 -11.009
154 HB3 SER 20 HB1 SER 20 -10.462 -2.210 -11.115
155 HG SER 20 HG SER 20 -10.810 -1.350 -13.089
156 H1 LYS 1 HN LYS 1 -11.535 -3.552 -14.677
157 HA LYS 1 HA LYS 1 -8.812 -3.966 -15.678
158 HB2 LYS 1 HB2 LYS 1 -11.435 -3.538 -17.094
159 HB3 LYS 1 HB1 LYS 1 -9.896 -3.810 -17.909
160 HG2 LYS 1 HG2 LYS 1 -9.661 -5.972 -16.694
161 HG3 LYS 1 HG1 LYS 1 -11.251 -5.715 -15.977
162 HD2 LYS 1 HD2 LYS 1 -10.794 -5.747 -18.967
163 HD3 LYS 1 HD1 LYS 1 -11.209 -7.198 -18.056
164 HE2 LYS 1 HE2 LYS 1 -13.233 -5.910 -17.178
165 HE3 LYS 1 HE1 LYS 1 -12.863 -4.681 -18.383
166 HZ1 LYS 1 HZ1 LYS 1 -13.971 -5.890 -19.824
167 HZ2 LYS 1 HZ2 LYS 1 -14.146 -7.170 -18.722
168 HZ3 LYS 1 HZ3 LYS 1 -12.768 -7.081 -19.712
169 H ASN 2 HN ASN 2 -10.096 -1.501 -14.224
170 HA ASN 2 HA ASN 2 -10.043 0.631 -15.991
171 HB2 ASN 2 HB2 ASN 2 -9.543 2.019 -13.900
172 HB3 ASN 2 HB1 ASN 2 -11.009 1.041 -13.875
173 HD21 ASN 2 HD21 ASN 2 -7.528 0.243 -13.278
174 HD22 ASN 2 HD22 ASN 2 -7.823 -0.481 -11.772
175 HA PRO 3 HA PRO 3 -5.798 1.404 -17.007
176 HB2 PRO 3 HB2 PRO 3 -6.223 4.233 -16.094
177 HB3 PRO 3 HB1 PRO 3 -5.633 3.631 -17.657
178 HG2 PRO 3 HG2 PRO 3 -8.098 4.583 -17.405
179 HG3 PRO 3 HG1 PRO 3 -7.759 3.184 -18.439
180 HD2 PRO 3 HD2 PRO 3 -9.035 3.272 -15.734
181 HD3 PRO 3 HD1 PRO 3 -9.365 2.220 -17.126
182 H GLU 4 HN GLU 4 -7.030 2.366 -13.890
183 HA GLU 4 HA GLU 4 -4.621 3.080 -12.609
184 HB2 GLU 4 HB2 GLU 4 -7.186 1.916 -11.509
185 HB3 GLU 4 HB1 GLU 4 -5.860 2.492 -10.501
186 HG2 GLU 4 HG2 GLU 4 -6.038 4.722 -11.500
187 HG3 GLU 4 HG1 GLU 4 -7.321 4.159 -12.569
188 H ALA 5 HN ALA 5 -5.647 0.113 -13.837
189 HA ALA 5 HA ALA 5 -4.683 -1.756 -11.995
190 HB1 ALA 5 HB1 ALA 5 -4.667 -3.321 -13.796
191 HB2 ALA 5 HB2 ALA 5 -4.477 -2.042 -14.995
192 HB3 ALA 5 HB3 ALA 5 -5.999 -2.211 -14.122
193 H GLU 6 HN GLU 6 -3.004 0.330 -14.247
194 HA GLU 6 HA GLU 6 -0.516 -1.008 -14.343
195 HB2 GLU 6 HB2 GLU 6 -1.239 1.915 -14.601
196 HB3 GLU 6 HB1 GLU 6 0.386 1.289 -14.883
197 HG2 GLU 6 HG2 GLU 6 -0.462 -0.194 -16.636
198 HG3 GLU 6 HG1 GLU 6 -2.109 0.354 -16.328
199 H GLU 7 HN GLU 7 -1.834 1.388 -12.089
200 HA GLU 7 HA GLU 7 0.532 1.725 -10.556
201 HB2 GLU 7 HB2 GLU 7 -2.384 2.144 -9.865
202 HB3 GLU 7 HB1 GLU 7 -1.052 2.599 -8.804
203 HG2 GLU 7 HG2 GLU 7 -1.383 3.584 -11.651
204 HG3 GLU 7 HG1 GLU 7 -1.868 4.494 -10.220
205 H ILE 8 HN ILE 8 -2.164 -0.527 -10.395
206 HA ILE 8 HA ILE 8 -1.569 -1.686 -7.861
207 HB ILE 8 HB ILE 8 -2.788 -3.070 -10.273
208 HG12 ILE 8 HG12 ILE 8 -3.976 -0.984 -9.923
209 HG13 ILE 8 HG11 ILE 8 -4.965 -2.285 -9.269
210 HG21 ILE 8 HG21 ILE 8 -2.166 -4.479 -8.288
211 HG22 ILE 8 HG22 ILE 8 -3.901 -4.438 -8.593
212 HG23 ILE 8 HG23 ILE 8 -3.212 -3.465 -7.294
213 HD11 ILE 8 HD11 ILE 8 -5.028 -0.621 -7.613
214 HD12 ILE 8 HD12 ILE 8 -3.322 -0.241 -7.790
215 HD13 ILE 8 HD13 ILE 8 -3.813 -1.747 -7.011
216 H THR 9 HN THR 9 -0.485 -2.479 -11.142
217 HA THR 9 HA THR 9 0.991 -4.792 -10.477
218 HB THR 9 HB THR 9 1.471 -2.770 -12.682
219 HG1 THR 9 HG1 THR 9 -0.542 -4.284 -12.311
220 HG21 THR 9 HG21 THR 9 3.455 -4.069 -12.432
221 HG22 THR 9 HG22 THR 9 2.566 -4.796 -13.770
222 HG23 THR 9 HG23 THR 9 2.538 -5.551 -12.175
223 H ARG 10 HN ARG 10 1.875 -1.353 -10.561
224 HA ARG 10 HA ARG 10 4.629 -1.661 -10.015
225 HB2 ARG 10 HB2 ARG 10 3.579 0.454 -10.797
226 HB3 ARG 10 HB1 ARG 10 2.824 0.633 -9.214
227 HG2 ARG 10 HG2 ARG 10 5.018 0.706 -8.137
228 HG3 ARG 10 HG1 ARG 10 5.813 0.435 -9.688
229 HD2 ARG 10 HD2 ARG 10 5.895 2.801 -9.250
230 HD3 ARG 10 HD1 ARG 10 4.713 2.539 -10.528
231 HE ARG 10 HE ARG 10 3.003 3.126 -9.026
232 HH11 ARG 10 HH11 ARG 10 2.312 4.154 -7.123
233 HH12 ARG 10 HH12 ARG 10 3.437 4.400 -5.829
234 HH21 ARG 10 HH21 ARG 10 6.090 2.921 -7.496
235 HH22 ARG 10 HH22 ARG 10 5.574 3.703 -6.041
236 H CYS 11 HN CYS 11 1.815 -1.297 -7.881
237 HA CYS 11 HA CYS 11 3.139 -1.113 -5.422
238 HB2 CYS 11 HB2 CYS 11 0.653 -0.854 -5.892
239 HB3 CYS 11 HB1 CYS 11 0.561 -2.613 -5.857
240 H LYS 12 HN LYS 12 2.199 -3.946 -7.322
241 HA LYS 12 HA LYS 12 2.934 -5.920 -5.439
242 HB2 LYS 12 HB2 LYS 12 1.563 -6.341 -7.452
243 HB3 LYS 12 HB1 LYS 12 2.992 -6.119 -8.458
244 HG2 LYS 12 HG2 LYS 12 4.116 -7.975 -7.216
245 HG3 LYS 12 HG1 LYS 12 2.628 -8.225 -6.304
246 HD2 LYS 12 HD2 LYS 12 2.692 -8.300 -9.320
247 HD3 LYS 12 HD1 LYS 12 2.993 -9.738 -8.346
248 HE2 LYS 12 HE2 LYS 12 0.769 -9.287 -7.196
249 HE3 LYS 12 HE1 LYS 12 0.472 -8.059 -8.424
250 HZ1 LYS 12 HZ1 LYS 12 -0.010 -10.751 -8.629
251 HZ2 LYS 12 HZ2 LYS 12 1.347 -10.471 -9.610
252 HZ3 LYS 12 HZ3 LYS 12 -0.089 -9.599 -9.871
253 H LYS 13 HN LYS 13 4.749 -4.303 -8.021
254 HA LYS 13 HA LYS 13 7.119 -5.814 -7.792
255 HB2 LYS 13 HB2 LYS 13 6.609 -2.993 -8.742
256 HB3 LYS 13 HB1 LYS 13 8.199 -3.753 -8.819
257 HG2 LYS 13 HG2 LYS 13 7.235 -5.597 -10.169
258 HG3 LYS 13 HG1 LYS 13 5.662 -4.799 -10.112
259 HD2 LYS 13 HD2 LYS 13 6.604 -2.830 -11.254
260 HD3 LYS 13 HD1 LYS 13 8.187 -3.607 -11.294
261 HE2 LYS 13 HE2 LYS 13 7.280 -5.431 -12.663
262 HE3 LYS 13 HE1 LYS 13 5.680 -4.695 -12.608
263 HZ1 LYS 13 HZ1 LYS 13 7.882 -3.012 -13.512
264 HZ2 LYS 13 HZ2 LYS 13 6.269 -3.075 -14.047
265 HZ3 LYS 13 HZ3 LYS 13 7.385 -4.245 -14.566
266 H LEU 14 HN LEU 14 6.021 -2.878 -6.145
267 HA LEU 14 HA LEU 14 8.424 -2.341 -4.751
268 HB2 LEU 14 HB2 LEU 14 5.542 -1.722 -4.055
269 HB3 LEU 14 HB1 LEU 14 6.936 -1.046 -3.214
270 HG LEU 14 HG LEU 14 6.449 -0.767 -6.194
271 HD11 LEU 14 HD11 LEU 14 5.683 0.971 -3.853
272 HD12 LEU 14 HD12 LEU 14 4.740 0.545 -5.280
273 HD13 LEU 14 HD13 LEU 14 6.054 1.704 -5.410
274 HD21 LEU 14 HD21 LEU 14 8.746 -0.431 -5.896
275 HD22 LEU 14 HD22 LEU 14 8.545 0.250 -4.281
276 HD23 LEU 14 HD23 LEU 14 8.122 1.206 -5.704
277 H LEU 15 HN LEU 15 5.570 -4.254 -3.902
278 HA LEU 15 HA LEU 15 6.413 -4.935 -1.279
279 HB2 LEU 15 HB2 LEU 15 4.525 -6.313 -3.201
280 HB3 LEU 15 HB1 LEU 15 4.748 -6.798 -1.519
281 HG LEU 15 HG LEU 15 3.973 -3.989 -2.350
282 HD11 LEU 15 HD11 LEU 15 2.172 -5.425 -3.047
283 HD12 LEU 15 HD12 LEU 15 1.683 -4.668 -1.530
284 HD13 LEU 15 HD13 LEU 15 2.249 -6.339 -1.539
285 HD21 LEU 15 HD21 LEU 15 4.301 -5.439 0.275
286 HD22 LEU 15 HD22 LEU 15 3.091 -4.161 0.151
287 HD23 LEU 15 HD23 LEU 15 4.783 -3.801 -0.165
288 H ASP 16 HN ASP 16 6.882 -6.454 -4.420
289 HA ASP 16 HA ASP 16 8.060 -8.852 -3.516
290 HB2 ASP 16 HB2 ASP 16 8.298 -7.325 -6.108
291 HB3 ASP 16 HB1 ASP 16 9.097 -8.873 -5.841
292 H ASP 17 HN ASP 17 9.376 -5.662 -4.142
293 HA ASP 17 HA ASP 17 12.118 -6.330 -4.047
294 HB2 ASP 17 HB2 ASP 17 10.639 -3.764 -3.452
295 HB3 ASP 17 HB1 ASP 17 12.397 -3.887 -3.433
296 H SER 18 HN SER 18 9.761 -6.465 -1.651
297 HA SER 18 HA SER 18 11.083 -5.572 0.631
298 HB2 SER 18 HB2 SER 18 9.550 -6.992 1.881
299 HB3 SER 18 HB1 SER 18 8.686 -6.243 0.541
300 HG SER 18 HG SER 18 8.652 -8.709 1.003
301 H SER 19 HN SER 19 11.535 -8.415 -1.243
302 HA SER 19 HA SER 19 13.140 -9.757 0.782
303 HB2 SER 19 HB2 SER 19 13.396 -11.533 -0.841
304 HB3 SER 19 HB1 SER 19 11.703 -11.042 -0.804
305 HG SER 19 HG SER 19 12.447 -11.183 -2.939
306 H SER 20 HN SER 20 13.599 -7.480 -1.659
307 HA SER 20 HA SER 20 16.374 -8.105 -2.212
308 HB2 SER 20 HB2 SER 20 15.192 -7.075 -4.005
309 HB3 SER 20 HB1 SER 20 14.601 -5.787 -2.964
310 HG SER 20 HG SER 20 16.572 -4.884 -2.940
311 H1 LYS 1 HN LYS 1 18.170 -6.855 -1.602
312 HA LYS 1 HA LYS 1 17.873 -5.555 1.009
313 HB2 LYS 1 HB2 LYS 1 20.306 -6.379 -0.563
314 HB3 LYS 1 HB1 LYS 1 20.356 -5.628 1.031
315 HG2 LYS 1 HG2 LYS 1 18.970 -7.491 1.928
316 HG3 LYS 1 HG1 LYS 1 19.020 -8.264 0.345
317 HD2 LYS 1 HD2 LYS 1 21.522 -7.525 1.876
318 HD3 LYS 1 HD1 LYS 1 20.743 -9.098 2.042
319 HE2 LYS 1 HE2 LYS 1 20.919 -9.319 -0.492
320 HE3 LYS 1 HE1 LYS 1 21.946 -7.889 -0.464
321 HZ1 LYS 1 HZ1 LYS 1 23.621 -9.215 -0.013
322 HZ2 LYS 1 HZ2 LYS 1 22.600 -10.558 0.175
323 HZ3 LYS 1 HZ3 LYS 1 22.921 -9.541 1.497
324 H ASN 2 HN ASN 2 17.332 -4.482 -1.885
325 HA ASN 2 HA ASN 2 19.096 -2.395 -2.344
326 HB2 ASN 2 HB2 ASN 2 17.138 -1.352 -3.612
327 HB3 ASN 2 HB1 ASN 2 17.642 -2.964 -4.119
328 HD21 ASN 2 HD21 ASN 2 15.562 -1.820 -1.388
329 HD22 ASN 2 HD22 ASN 2 14.255 -2.821 -1.798
330 HA PRO 3 HA PRO 3 18.265 0.737 0.682
331 HB2 PRO 3 HB2 PRO 3 17.878 2.659 -1.591
332 HB3 PRO 3 HB1 PRO 3 18.977 2.765 -0.201
333 HG2 PRO 3 HG2 PRO 3 19.887 2.155 -2.623
334 HG3 PRO 3 HG1 PRO 3 20.553 1.385 -1.171
335 HD2 PRO 3 HD2 PRO 3 18.684 0.264 -3.217
336 HD3 PRO 3 HD1 PRO 3 19.978 -0.523 -2.291
337 H GLU 4 HN GLU 4 16.076 0.297 -1.998
338 HA GLU 4 HA GLU 4 13.952 1.962 -1.177
339 HB2 GLU 4 HB2 GLU 4 13.962 -0.586 -2.806
340 HB3 GLU 4 HB1 GLU 4 12.538 0.427 -2.580
341 HG2 GLU 4 HG2 GLU 4 13.708 2.335 -3.575
342 HG3 GLU 4 HG1 GLU 4 15.171 1.367 -3.750
343 H ALA 5 HN ALA 5 15.244 -0.800 0.258
344 HA ALA 5 HA ALA 5 13.012 -2.142 1.277
345 HB1 ALA 5 HB1 ALA 5 14.491 -3.093 2.889
346 HB2 ALA 5 HB2 ALA 5 15.590 -1.717 2.793
347 HB3 ALA 5 HB3 ALA 5 15.458 -2.836 1.436
348 H GLU 6 HN GLU 6 14.504 0.883 2.215
349 HA GLU 6 HA GLU 6 13.402 1.152 4.802
350 HB2 GLU 6 HB2 GLU 6 14.205 3.209 2.737
351 HB3 GLU 6 HB1 GLU 6 13.707 3.623 4.378
352 HG2 GLU 6 HG2 GLU 6 15.516 2.248 5.298
353 HG3 GLU 6 HG1 GLU 6 15.994 1.763 3.672
354 H GLU 7 HN GLU 7 12.152 1.994 1.596
355 HA GLU 7 HA GLU 7 9.793 3.291 2.501
356 HB2 GLU 7 HB2 GLU 7 10.461 1.926 -0.116
357 HB3 GLU 7 HB1 GLU 7 8.973 2.830 0.163
358 HG2 GLU 7 HG2 GLU 7 11.758 3.974 0.516
359 HG3 GLU 7 HG1 GLU 7 10.770 4.197 -0.928
360 H ILE 8 HN ILE 8 10.593 -0.054 1.757
361 HA ILE 8 HA ILE 8 7.954 -1.126 1.832
362 HB ILE 8 HB ILE 8 10.517 -2.507 2.693
363 HG12 ILE 8 HG12 ILE 8 10.900 -1.492 0.522
364 HG13 ILE 8 HG11 ILE 8 10.624 -3.212 0.278
365 HG21 ILE 8 HG21 ILE 8 8.342 -3.673 3.138
366 HG22 ILE 8 HG22 ILE 8 9.348 -4.524 1.968
367 HG23 ILE 8 HG23 ILE 8 7.975 -3.565 1.417
368 HD11 ILE 8 HD11 ILE 8 9.310 -2.175 -1.373
369 HD12 ILE 8 HD12 ILE 8 8.767 -0.908 -0.284
370 HD13 ILE 8 HD13 ILE 8 8.146 -2.550 -0.104
371 H THR 9 HN THR 9 10.377 -0.605 4.367
372 HA THR 9 HA THR 9 8.947 -1.816 6.480
373 HB THR 9 HB THR 9 10.910 0.490 6.550
374 HG1 THR 9 HG1 THR 9 11.327 -1.878 5.792
375 HG21 THR 9 HG21 THR 9 9.701 0.469 8.615
376 HG22 THR 9 HG22 THR 9 11.236 -0.338 8.926
377 HG23 THR 9 HG23 THR 9 9.766 -1.289 8.712
378 H ARG 10 HN ARG 10 8.948 1.497 5.205
379 HA ARG 10 HA ARG 10 7.262 2.647 7.157
380 HB2 ARG 10 HB2 ARG 10 8.603 3.946 5.508
381 HB3 ARG 10 HB1 ARG 10 7.503 3.412 4.236
382 HG2 ARG 10 HG2 ARG 10 5.618 4.481 5.372
383 HG3 ARG 10 HG1 ARG 10 6.667 4.958 6.709
384 HD2 ARG 10 HD2 ARG 10 6.437 6.869 5.257
385 HD3 ARG 10 HD1 ARG 10 8.067 6.235 5.057
386 HE ARG 10 HE ARG 10 7.495 5.525 2.892
387 HH11 ARG 10 HH11 ARG 10 6.163 5.648 1.058
388 HH12 ARG 10 HH12 ARG 10 4.537 6.221 1.221
389 HH21 ARG 10 HH21 ARG 10 4.782 6.747 4.637
390 HH22 ARG 10 HH22 ARG 10 3.756 6.842 3.246
391 H CYS 11 HN CYS 11 6.562 1.029 4.077
392 HA CYS 11 HA CYS 11 3.802 1.484 3.955
393 HB2 CYS 11 HB2 CYS 11 5.277 0.434 2.182
394 HB3 CYS 11 HB1 CYS 11 5.169 -1.067 3.100
395 H LYS 12 HN LYS 12 5.656 -1.015 5.641
396 HA LYS 12 HA LYS 12 3.467 -2.564 6.534
397 HB2 LYS 12 HB2 LYS 12 5.826 -3.298 6.590
398 HB3 LYS 12 HB1 LYS 12 6.138 -2.158 7.896
399 HG2 LYS 12 HG2 LYS 12 4.383 -3.285 9.265
400 HG3 LYS 12 HG1 LYS 12 4.161 -4.459 7.969
401 HD2 LYS 12 HD2 LYS 12 6.847 -3.969 9.262
402 HD3 LYS 12 HD1 LYS 12 5.708 -5.162 9.885
403 HE2 LYS 12 HE2 LYS 12 5.669 -6.182 7.557
404 HE3 LYS 12 HE1 LYS 12 7.007 -5.113 7.147
405 HZ1 LYS 12 HZ1 LYS 12 7.167 -7.558 8.375
406 HZ2 LYS 12 HZ2 LYS 12 7.495 -6.427 9.600
407 HZ3 LYS 12 HZ3 LYS 12 8.416 -6.431 8.171
408 H LYS 13 HN LYS 13 5.167 0.203 7.960
409 HA LYS 13 HA LYS 13 3.809 0.226 10.432
410 HB2 LYS 13 HB2 LYS 13 5.143 2.422 8.845
411 HB3 LYS 13 HB1 LYS 13 4.469 2.679 10.456
412 HG2 LYS 13 HG2 LYS 13 5.924 0.878 11.338
413 HG3 LYS 13 HG1 LYS 13 6.612 0.658 9.729
414 HD2 LYS 13 HD2 LYS 13 7.426 2.981 9.746
415 HD3 LYS 13 HD1 LYS 13 6.719 3.224 11.344
416 HE2 LYS 13 HE2 LYS 13 8.166 1.448 12.258
417 HE3 LYS 13 HE1 LYS 13 8.876 1.204 10.663
418 HZ1 LYS 13 HZ1 LYS 13 8.883 3.926 11.687
419 HZ2 LYS 13 HZ2 LYS 13 10.067 3.096 10.795
420 HZ3 LYS 13 HZ3 LYS 13 9.916 2.831 12.467
421 H LEU 14 HN LEU 14 3.068 1.732 7.316
422 HA LEU 14 HA LEU 14 0.839 3.245 8.181
423 HB2 LEU 14 HB2 LEU 14 1.506 2.052 5.478
424 HB3 LEU 14 HB1 LEU 14 0.211 3.215 5.758
425 HG LEU 14 HG LEU 14 3.125 3.710 6.434
426 HD11 LEU 14 HD11 LEU 14 1.488 4.306 3.975
427 HD12 LEU 14 HD12 LEU 14 3.140 3.703 4.095
428 HD13 LEU 14 HD13 LEU 14 2.794 5.390 4.449
429 HD21 LEU 14 HD21 LEU 14 1.934 5.185 7.794
430 HD22 LEU 14 HD22 LEU 14 0.596 5.331 6.652
431 HD23 LEU 14 HD23 LEU 14 2.126 6.153 6.335
432 H LEU 15 HN LEU 15 1.122 -0.036 6.889
433 HA LEU 15 HA LEU 15 -1.661 -0.594 6.830
434 HB2 LEU 15 HB2 LEU 15 0.750 -2.412 7.016
435 HB3 LEU 15 HB1 LEU 15 -0.901 -2.987 6.791
436 HG LEU 15 HG LEU 15 0.415 -0.964 4.959
437 HD11 LEU 15 HD11 LEU 15 1.691 -3.002 4.768
438 HD12 LEU 15 HD12 LEU 15 0.614 -2.910 3.373
439 HD13 LEU 15 HD13 LEU 15 0.218 -3.974 4.723
440 HD21 LEU 15 HD21 LEU 15 -2.214 -2.443 4.995
441 HD22 LEU 15 HD22 LEU 15 -1.478 -2.060 3.438
442 HD23 LEU 15 HD23 LEU 15 -1.876 -0.767 4.561
443 H ASP 16 HN ASP 16 0.830 -1.031 9.283
444 HA ASP 16 HA ASP 16 -0.701 -2.512 11.130
445 HB2 ASP 16 HB2 ASP 16 1.667 -0.671 11.467
446 HB3 ASP 16 HB1 ASP 16 0.947 -1.545 12.818
447 H ASP 17 HN ASP 17 -0.415 0.932 10.522
448 HA ASP 17 HA ASP 17 -1.733 1.860 12.842
449 HB2 ASP 17 HB2 ASP 17 -1.426 3.062 10.083
450 HB3 ASP 17 HB1 ASP 17 -2.173 3.910 11.435
451 H SER 18 HN SER 18 -2.887 0.034 10.263
452 HA SER 18 HA SER 18 -5.431 1.071 9.797
453 HB2 SER 18 HB2 SER 18 -6.018 -1.158 9.006
454 HB3 SER 18 HB1 SER 18 -4.378 -0.774 8.491
455 HG SER 18 HG SER 18 -5.003 -2.889 9.703
456 H SER 19 HN SER 19 -4.175 -0.686 12.474
457 HA SER 19 HA SER 19 -6.796 -1.272 13.599
458 HB2 SER 19 HB2 SER 19 -5.597 -2.306 15.425
459 HB3 SER 19 HB1 SER 19 -4.862 -2.823 13.910
460 HG SER 19 HG SER 19 -3.282 -2.149 15.399
461 H SER 20 HN SER 20 -4.614 1.291 13.599
462 HA SER 20 HA SER 20 -5.335 2.377 16.186
463 HB2 SER 20 HB2 SER 20 -3.139 2.913 15.436
464 HB3 SER 20 HB1 SER 20 -3.729 3.469 13.877
465 HG SER 20 HG SER 20 -4.482 5.273 14.788
466 H2 ZBR 100 HA3 TBS 100 -1.521 0.943 -1.898
467 H4 ZBR 100 HC3 TBS 100 0.825 1.481 1.681
468 H6 ZBR 100 HB3 TBS 100 2.673 -0.072 -1.894
469 H7 ZBR 100 HB11 TBS 100 1.089 0.616 -4.096
470 H7A ZBR 100 HB12 TBS 100 -0.559 0.041 -3.827
471 H8 ZBR 100 HA11 TBS 100 -2.029 2.696 0.213
472 H8A ZBR 100 HA12 TBS 100 -1.462 1.977 1.722
473 H9 ZBR 100 HC11 TBS 100 3.495 1.584 1.047
474 H9A ZBR 100 HC12 TBS 100 3.971 0.223 0.028
Start of MODEL 8
1 H1 LYS 1 HN LYS 1 -6.033 4.769 16.872
2 HA LYS 1 HA LYS 1 -8.221 5.627 15.216
3 HB2 LYS 1 HB2 LYS 1 -7.012 6.784 17.738
4 HB3 LYS 1 HB1 LYS 1 -8.463 7.414 16.959
5 HG2 LYS 1 HG2 LYS 1 -9.564 5.227 17.214
6 HG3 LYS 1 HG1 LYS 1 -8.111 4.580 17.979
7 HD2 LYS 1 HD2 LYS 1 -8.320 6.255 19.787
8 HD3 LYS 1 HD1 LYS 1 -9.784 6.883 19.027
9 HE2 LYS 1 HE2 LYS 1 -10.880 4.697 19.290
10 HE3 LYS 1 HE1 LYS 1 -9.415 4.042 20.021
11 HZ1 LYS 1 HZ1 LYS 1 -11.365 5.918 21.125
12 HZ2 LYS 1 HZ2 LYS 1 -9.741 6.117 21.578
13 HZ3 LYS 1 HZ3 LYS 1 -10.537 4.647 21.883
14 H ASN 2 HN ASN 2 -5.172 5.890 14.562
15 HA ASN 2 HA ASN 2 -4.568 8.611 14.353
16 HB2 ASN 2 HB2 ASN 2 -3.648 6.311 12.609
17 HB3 ASN 2 HB1 ASN 2 -2.909 7.910 12.635
18 HD21 ASN 2 HD21 ASN 2 -1.958 5.111 13.539
19 HD22 ASN 2 HD22 ASN 2 -1.376 5.383 15.113
20 HA PRO 3 HA PRO 3 -7.132 10.003 10.992
21 HB2 PRO 3 HB2 PRO 3 -5.490 11.941 9.896
22 HB3 PRO 3 HB1 PRO 3 -6.403 12.163 11.403
23 HG2 PRO 3 HG2 PRO 3 -3.530 11.432 11.024
24 HG3 PRO 3 HG1 PRO 3 -4.259 12.556 12.183
25 HD2 PRO 3 HD2 PRO 3 -3.504 10.070 12.906
26 HD3 PRO 3 HD1 PRO 3 -4.921 10.857 13.623
27 H GLU 4 HN GLU 4 -3.979 8.708 10.470
28 HA GLU 4 HA GLU 4 -3.896 8.743 7.642
29 HB2 GLU 4 HB2 GLU 4 -2.578 6.895 9.642
30 HB3 GLU 4 HB1 GLU 4 -2.225 6.900 7.914
31 HG2 GLU 4 HG2 GLU 4 -1.547 9.258 8.039
32 HG3 GLU 4 HG1 GLU 4 -1.934 9.288 9.758
33 H ALA 5 HN ALA 5 -5.874 7.056 9.797
34 HA ALA 5 HA ALA 5 -6.198 4.545 8.648
35 HB1 ALA 5 HB1 ALA 5 -8.457 6.205 9.770
36 HB2 ALA 5 HB2 ALA 5 -7.244 5.430 10.789
37 HB3 ALA 5 HB3 ALA 5 -8.300 4.449 9.771
38 H GLU 6 HN GLU 6 -7.288 7.679 7.565
39 HA GLU 6 HA GLU 6 -9.282 6.848 5.735
40 HB2 GLU 6 HB2 GLU 6 -7.457 9.258 5.791
41 HB3 GLU 6 HB1 GLU 6 -8.740 9.047 4.599
42 HG2 GLU 6 HG2 GLU 6 -10.412 8.918 6.372
43 HG3 GLU 6 HG1 GLU 6 -9.153 9.016 7.601
44 H GLU 7 HN GLU 7 -5.771 7.197 5.464
45 HA GLU 7 HA GLU 7 -5.601 6.729 2.673
46 HB2 GLU 7 HB2 GLU 7 -3.776 7.724 4.079
47 HB3 GLU 7 HB1 GLU 7 -3.490 6.119 4.753
48 HG2 GLU 7 HG2 GLU 7 -1.936 6.475 2.916
49 HG3 GLU 7 HG1 GLU 7 -3.118 5.264 2.422
50 H ILE 8 HN ILE 8 -5.543 4.613 5.489
51 HA ILE 8 HA ILE 8 -4.828 2.221 4.153
52 HB ILE 8 HB ILE 8 -6.316 2.830 6.704
53 HG12 ILE 8 HG12 ILE 8 -4.337 1.626 7.673
54 HG13 ILE 8 HG11 ILE 8 -3.679 1.465 6.045
55 HG21 ILE 8 HG21 ILE 8 -6.002 0.149 5.357
56 HG22 ILE 8 HG22 ILE 8 -7.448 0.860 6.067
57 HG23 ILE 8 HG23 ILE 8 -6.149 0.287 7.107
58 HD11 ILE 8 HD11 ILE 8 -3.465 3.841 5.813
59 HD12 ILE 8 HD12 ILE 8 -2.806 3.436 7.401
60 HD13 ILE 8 HD13 ILE 8 -4.421 4.119 7.265
61 H THR 9 HN THR 9 -7.980 3.739 4.734
62 HA THR 9 HA THR 9 -9.585 1.664 3.723
63 HB THR 9 HB THR 9 -10.045 4.656 3.681
64 HG1 THR 9 HG1 THR 9 -10.649 2.587 5.514
65 HG21 THR 9 HG21 THR 9 -12.467 3.920 3.614
66 HG22 THR 9 HG22 THR 9 -11.883 2.298 3.239
67 HG23 THR 9 HG23 THR 9 -11.558 3.630 2.131
68 H ARG 10 HN ARG 10 -8.027 4.430 2.149
69 HA ARG 10 HA ARG 10 -9.047 3.986 -0.459
70 HB2 ARG 10 HB2 ARG 10 -6.560 5.361 0.559
71 HB3 ARG 10 HB1 ARG 10 -6.987 5.302 -1.150
72 HG2 ARG 10 HG2 ARG 10 -8.997 6.519 -0.806
73 HG3 ARG 10 HG1 ARG 10 -8.928 6.291 0.942
74 HD2 ARG 10 HD2 ARG 10 -8.224 8.584 0.162
75 HD3 ARG 10 HD1 ARG 10 -7.020 7.744 1.133
76 HE ARG 10 HE ARG 10 -5.652 7.604 -0.752
77 HH11 ARG 10 HH11 ARG 10 -5.111 8.167 -2.876
78 HH12 ARG 10 HH12 ARG 10 -6.326 8.789 -3.942
79 HH21 ARG 10 HH21 ARG 10 -8.858 8.609 -1.576
80 HH22 ARG 10 HH22 ARG 10 -8.451 9.039 -3.204
81 H CYS 11 HN CYS 11 -6.208 2.776 1.257
82 HA CYS 11 HA CYS 11 -4.847 1.547 -0.840
83 HB2 CYS 11 HB2 CYS 11 -4.208 1.776 1.665
84 HB3 CYS 11 HB1 CYS 11 -5.076 0.255 1.869
85 H LYS 12 HN LYS 12 -7.443 0.253 1.216
86 HA LYS 12 HA LYS 12 -7.530 -2.319 0.066
87 HB2 LYS 12 HB2 LYS 12 -9.647 -0.676 1.465
88 HB3 LYS 12 HB1 LYS 12 -9.878 -2.360 0.994
89 HG2 LYS 12 HG2 LYS 12 -7.909 -3.004 2.344
90 HG3 LYS 12 HG1 LYS 12 -7.694 -1.321 2.825
91 HD2 LYS 12 HD2 LYS 12 -9.948 -1.332 3.849
92 HD3 LYS 12 HD1 LYS 12 -10.135 -3.027 3.399
93 HE2 LYS 12 HE2 LYS 12 -7.965 -1.927 5.211
94 HE3 LYS 12 HE1 LYS 12 -9.399 -2.800 5.750
95 HZ1 LYS 12 HZ1 LYS 12 -6.978 -3.871 4.914
96 HZ2 LYS 12 HZ2 LYS 12 -8.115 -4.260 3.712
97 HZ3 LYS 12 HZ3 LYS 12 -8.394 -4.709 5.326
98 H LYS 13 HN LYS 13 -9.220 0.688 -0.738
99 HA LYS 13 HA LYS 13 -10.892 -0.401 -2.755
100 HB2 LYS 13 HB2 LYS 13 -9.823 2.405 -2.387
101 HB3 LYS 13 HB1 LYS 13 -11.111 1.958 -3.505
102 HG2 LYS 13 HG2 LYS 13 -11.206 1.488 -0.513
103 HG3 LYS 13 HG1 LYS 13 -11.964 2.857 -1.325
104 HD2 LYS 13 HD2 LYS 13 -13.163 1.055 -2.773
105 HD3 LYS 13 HD1 LYS 13 -12.673 -0.076 -1.513
106 HE2 LYS 13 HE2 LYS 13 -14.316 2.424 -1.093
107 HE3 LYS 13 HE1 LYS 13 -14.907 0.763 -1.047
108 HZ1 LYS 13 HZ1 LYS 13 -14.471 1.568 1.171
109 HZ2 LYS 13 HZ2 LYS 13 -12.865 1.935 0.760
110 HZ3 LYS 13 HZ3 LYS 13 -13.391 0.318 0.789
111 H LEU 14 HN LEU 14 -7.662 1.011 -2.834
112 HA LEU 14 HA LEU 14 -7.359 1.017 -5.641
113 HB2 LEU 14 HB2 LEU 14 -5.365 0.867 -3.380
114 HB3 LEU 14 HB1 LEU 14 -4.881 0.994 -5.071
115 HG LEU 14 HG LEU 14 -6.776 2.953 -3.739
116 HD11 LEU 14 HD11 LEU 14 -3.773 3.150 -4.132
117 HD12 LEU 14 HD12 LEU 14 -4.619 3.063 -2.587
118 HD13 LEU 14 HD13 LEU 14 -4.810 4.479 -3.620
119 HD21 LEU 14 HD21 LEU 14 -5.376 2.779 -6.409
120 HD22 LEU 14 HD22 LEU 14 -5.743 4.364 -5.729
121 HD23 LEU 14 HD23 LEU 14 -7.046 3.227 -6.056
122 H LEU 15 HN LEU 15 -6.604 -1.411 -3.195
123 HA LEU 15 HA LEU 15 -5.370 -3.263 -4.943
124 HB2 LEU 15 HB2 LEU 15 -6.773 -3.622 -2.290
125 HB3 LEU 15 HB1 LEU 15 -5.910 -4.918 -3.123
126 HG LEU 15 HG LEU 15 -4.652 -2.252 -2.412
127 HD11 LEU 15 HD11 LEU 15 -4.408 -4.895 -0.953
128 HD12 LEU 15 HD12 LEU 15 -5.343 -3.510 -0.384
129 HD13 LEU 15 HD13 LEU 15 -3.589 -3.392 -0.537
130 HD21 LEU 15 HD21 LEU 15 -3.664 -4.809 -3.663
131 HD22 LEU 15 HD22 LEU 15 -2.557 -3.893 -2.638
132 HD23 LEU 15 HD23 LEU 15 -3.263 -3.139 -4.063
133 H ASP 16 HN ASP 16 -8.711 -2.802 -3.925
134 HA ASP 16 HA ASP 16 -9.789 -5.131 -5.092
135 HB2 ASP 16 HB2 ASP 16 -11.003 -2.440 -4.451
136 HB3 ASP 16 HB1 ASP 16 -11.943 -3.796 -5.070
137 H ASP 17 HN ASP 17 -9.114 -1.931 -6.373
138 HA ASP 17 HA ASP 17 -10.475 -2.191 -8.834
139 HB2 ASP 17 HB2 ASP 17 -8.118 -0.489 -8.004
140 HB3 ASP 17 HB1 ASP 17 -8.879 -0.379 -9.590
141 H SER 18 HN SER 18 -7.800 -3.841 -7.648
142 HA SER 18 HA SER 18 -6.108 -4.064 -9.842
143 HB2 SER 18 HB2 SER 18 -5.336 -6.146 -8.829
144 HB3 SER 18 HB1 SER 18 -5.613 -4.942 -7.572
145 HG SER 18 HG SER 18 -6.990 -6.285 -6.758
146 H SER 19 HN SER 19 -9.136 -5.593 -9.172
147 HA SER 19 HA SER 19 -8.926 -7.348 -11.509
148 HB2 SER 19 HB2 SER 19 -11.126 -7.023 -9.465
149 HB3 SER 19 HB1 SER 19 -11.157 -8.174 -10.797
150 HG SER 19 HG SER 19 -8.973 -8.064 -9.018
151 H SER 20 HN SER 20 -9.955 -4.258 -10.786
152 HA SER 20 HA SER 20 -12.082 -4.091 -12.753
153 HB2 SER 20 HB2 SER 20 -12.207 -1.755 -12.174
154 HB3 SER 20 HB1 SER 20 -12.055 -2.686 -10.688
155 HG SER 20 HG SER 20 -9.746 -1.778 -11.989
156 H1 LYS 1 HN LYS 1 -12.013 -2.901 -14.689
157 HA LYS 1 HA LYS 1 -9.520 -3.097 -16.110
158 HB2 LYS 1 HB2 LYS 1 -12.215 -1.967 -16.895
159 HB3 LYS 1 HB1 LYS 1 -10.841 -2.100 -17.993
160 HG2 LYS 1 HG2 LYS 1 -10.769 -4.534 -17.626
161 HG3 LYS 1 HG1 LYS 1 -12.134 -4.411 -16.515
162 HD2 LYS 1 HD2 LYS 1 -13.535 -3.504 -18.339
163 HD3 LYS 1 HD1 LYS 1 -12.173 -3.648 -19.450
164 HE2 LYS 1 HE2 LYS 1 -12.110 -6.081 -19.077
165 HE3 LYS 1 HE1 LYS 1 -13.459 -5.948 -17.949
166 HZ1 LYS 1 HZ1 LYS 1 -13.438 -5.713 -20.861
167 HZ2 LYS 1 HZ2 LYS 1 -14.527 -4.730 -20.006
168 HZ3 LYS 1 HZ3 LYS 1 -14.593 -6.419 -19.839
169 H ASN 2 HN ASN 2 -10.197 -1.082 -13.815
170 HA ASN 2 HA ASN 2 -10.042 1.506 -14.864
171 HB2 ASN 2 HB2 ASN 2 -9.033 0.464 -12.204
172 HB3 ASN 2 HB1 ASN 2 -9.255 2.165 -12.599
173 HD21 ASN 2 HD21 ASN 2 -10.676 0.204 -10.664
174 HD22 ASN 2 HD22 ASN 2 -12.325 0.452 -11.003
175 HA PRO 3 HA PRO 3 -5.813 1.846 -16.201
176 HB2 PRO 3 HB2 PRO 3 -5.358 4.531 -15.706
177 HB3 PRO 3 HB1 PRO 3 -6.314 3.931 -17.077
178 HG2 PRO 3 HG2 PRO 3 -7.244 4.995 -14.444
179 HG3 PRO 3 HG1 PRO 3 -7.895 5.286 -16.067
180 HD2 PRO 3 HD2 PRO 3 -9.060 3.548 -14.359
181 HD3 PRO 3 HD1 PRO 3 -9.061 3.276 -16.109
182 H GLU 4 HN GLU 4 -6.776 2.627 -12.983
183 HA GLU 4 HA GLU 4 -4.258 3.224 -11.845
184 HB2 GLU 4 HB2 GLU 4 -6.766 2.063 -10.611
185 HB3 GLU 4 HB1 GLU 4 -5.356 2.583 -9.687
186 HG2 GLU 4 HG2 GLU 4 -5.573 4.856 -10.604
187 HG3 GLU 4 HG1 GLU 4 -6.965 4.345 -11.559
188 H ALA 5 HN ALA 5 -5.497 0.360 -13.138
189 HA ALA 5 HA ALA 5 -4.519 -1.651 -11.486
190 HB1 ALA 5 HB1 ALA 5 -4.434 -1.747 -14.502
191 HB2 ALA 5 HB2 ALA 5 -5.934 -1.897 -13.586
192 HB3 ALA 5 HB3 ALA 5 -4.651 -3.090 -13.380
193 H GLU 6 HN GLU 6 -2.833 0.508 -13.651
194 HA GLU 6 HA GLU 6 -0.398 -0.915 -13.893
195 HB2 GLU 6 HB2 GLU 6 -1.042 2.038 -13.985
196 HB3 GLU 6 HB1 GLU 6 0.564 1.390 -14.321
197 HG2 GLU 6 HG2 GLU 6 -0.316 0.047 -16.150
198 HG3 GLU 6 HG1 GLU 6 -1.962 0.553 -15.772
199 H GLU 7 HN GLU 7 -1.630 1.342 -11.463
200 HA GLU 7 HA GLU 7 0.774 1.585 -9.981
201 HB2 GLU 7 HB2 GLU 7 -1.192 3.131 -9.790
202 HB3 GLU 7 HB1 GLU 7 -2.050 1.854 -8.928
203 HG2 GLU 7 HG2 GLU 7 -1.030 3.345 -7.297
204 HG3 GLU 7 HG1 GLU 7 -0.185 1.799 -7.252
205 H ILE 8 HN ILE 8 -1.949 -0.646 -9.824
206 HA ILE 8 HA ILE 8 -1.231 -1.949 -7.413
207 HB ILE 8 HB ILE 8 -2.852 -2.749 -9.825
208 HG12 ILE 8 HG12 ILE 8 -4.657 -2.838 -8.082
209 HG13 ILE 8 HG11 ILE 8 -3.481 -2.292 -6.887
210 HG21 ILE 8 HG21 ILE 8 -1.958 -4.513 -7.549
211 HG22 ILE 8 HG22 ILE 8 -1.957 -4.856 -9.275
212 HG23 ILE 8 HG23 ILE 8 -3.478 -4.809 -8.391
213 HD11 ILE 8 HD11 ILE 8 -3.188 -0.197 -8.016
214 HD12 ILE 8 HD12 ILE 8 -4.930 -0.470 -7.909
215 HD13 ILE 8 HD13 ILE 8 -4.081 -0.772 -9.419
216 H THR 9 HN THR 9 -0.302 -2.557 -10.781
217 HA THR 9 HA THR 9 1.130 -4.936 -10.349
218 HB THR 9 HB THR 9 1.597 -2.747 -12.392
219 HG1 THR 9 HG1 THR 9 0.035 -5.108 -12.345
220 HG21 THR 9 HG21 THR 9 2.597 -4.703 -13.681
221 HG22 THR 9 HG22 THR 9 2.597 -5.588 -12.156
222 HG23 THR 9 HG23 THR 9 3.552 -4.114 -12.321
223 H ARG 10 HN ARG 10 2.099 -1.531 -10.202
224 HA ARG 10 HA ARG 10 4.850 -1.959 -9.669
225 HB2 ARG 10 HB2 ARG 10 2.985 0.335 -9.053
226 HB3 ARG 10 HB1 ARG 10 4.708 0.372 -8.682
227 HG2 ARG 10 HG2 ARG 10 5.317 0.182 -10.971
228 HG3 ARG 10 HG1 ARG 10 3.682 -0.276 -11.449
229 HD2 ARG 10 HD2 ARG 10 4.307 2.126 -11.952
230 HD3 ARG 10 HD1 ARG 10 2.843 1.922 -10.997
231 HE ARG 10 HE ARG 10 3.938 2.889 -9.176
232 HH11 ARG 10 HH11 ARG 10 5.669 4.033 -8.264
233 HH12 ARG 10 HH12 ARG 10 7.199 4.077 -9.075
234 HH21 ARG 10 HH21 ARG 10 6.136 2.124 -11.737
235 HH22 ARG 10 HH22 ARG 10 7.464 2.995 -11.044
236 H CYS 11 HN CYS 11 1.997 -1.720 -7.601
237 HA CYS 11 HA CYS 11 3.210 -1.581 -5.098
238 HB2 CYS 11 HB2 CYS 11 0.702 -1.506 -5.741
239 HB3 CYS 11 HB1 CYS 11 0.760 -3.261 -5.585
240 H LYS 12 HN LYS 12 2.361 -4.449 -7.025
241 HA LYS 12 HA LYS 12 3.232 -6.374 -5.157
242 HB2 LYS 12 HB2 LYS 12 3.009 -6.463 -8.172
243 HB3 LYS 12 HB1 LYS 12 3.394 -7.872 -7.182
244 HG2 LYS 12 HG2 LYS 12 1.286 -7.569 -5.930
245 HG3 LYS 12 HG1 LYS 12 0.897 -6.169 -6.929
246 HD2 LYS 12 HD2 LYS 12 0.937 -7.605 -8.945
247 HD3 LYS 12 HD1 LYS 12 1.282 -9.006 -7.930
248 HE2 LYS 12 HE2 LYS 12 -1.184 -7.251 -7.709
249 HE3 LYS 12 HE1 LYS 12 -1.132 -8.846 -8.459
250 HZ1 LYS 12 HZ1 LYS 12 -1.498 -8.250 -5.773
251 HZ2 LYS 12 HZ2 LYS 12 0.036 -8.969 -5.899
252 HZ3 LYS 12 HZ3 LYS 12 -1.338 -9.783 -6.480
253 H LYS 13 HN LYS 13 4.916 -4.705 -7.792
254 HA LYS 13 HA LYS 13 7.358 -6.129 -7.580
255 HB2 LYS 13 HB2 LYS 13 6.796 -3.323 -8.559
256 HB3 LYS 13 HB1 LYS 13 8.316 -4.184 -8.795
257 HG2 LYS 13 HG2 LYS 13 5.619 -5.165 -9.772
258 HG3 LYS 13 HG1 LYS 13 6.794 -4.322 -10.779
259 HD2 LYS 13 HD2 LYS 13 8.450 -6.185 -10.045
260 HD3 LYS 13 HD1 LYS 13 7.014 -7.064 -9.525
261 HE2 LYS 13 HE2 LYS 13 7.525 -6.023 -12.314
262 HE3 LYS 13 HE1 LYS 13 7.599 -7.707 -11.795
263 HZ1 LYS 13 HZ1 LYS 13 5.474 -7.226 -12.801
264 HZ2 LYS 13 HZ2 LYS 13 5.201 -5.959 -11.703
265 HZ3 LYS 13 HZ3 LYS 13 5.266 -7.565 -11.151
266 H LEU 14 HN LEU 14 6.170 -3.189 -6.035
267 HA LEU 14 HA LEU 14 8.575 -2.496 -4.726
268 HB2 LEU 14 HB2 LEU 14 5.676 -1.952 -4.080
269 HB3 LEU 14 HB1 LEU 14 7.007 -1.263 -3.151
270 HG LEU 14 HG LEU 14 6.760 -0.962 -6.159
271 HD11 LEU 14 HD11 LEU 14 5.833 0.909 -3.958
272 HD12 LEU 14 HD12 LEU 14 4.810 0.091 -5.138
273 HD13 LEU 14 HD13 LEU 14 5.935 1.342 -5.662
274 HD21 LEU 14 HD21 LEU 14 8.549 0.184 -4.012
275 HD22 LEU 14 HD22 LEU 14 8.216 1.136 -5.459
276 HD23 LEU 14 HD23 LEU 14 8.983 -0.441 -5.603
277 H LEU 15 HN LEU 15 5.849 -4.512 -3.735
278 HA LEU 15 HA LEU 15 6.759 -5.025 -1.103
279 HB2 LEU 15 HB2 LEU 15 4.930 -6.578 -2.943
280 HB3 LEU 15 HB1 LEU 15 5.212 -7.007 -1.254
281 HG LEU 15 HG LEU 15 4.252 -4.275 -2.150
282 HD11 LEU 15 HD11 LEU 15 2.616 -6.560 -1.023
283 HD12 LEU 15 HD12 LEU 15 2.618 -6.064 -2.717
284 HD13 LEU 15 HD13 LEU 15 2.017 -4.965 -1.475
285 HD21 LEU 15 HD21 LEU 15 4.765 -5.586 0.513
286 HD22 LEU 15 HD22 LEU 15 3.435 -4.431 0.391
287 HD23 LEU 15 HD23 LEU 15 5.075 -3.927 0.002
288 H ASP 16 HN ASP 16 7.287 -6.660 -4.178
289 HA ASP 16 HA ASP 16 8.614 -8.938 -3.178
290 HB2 ASP 16 HB2 ASP 16 8.755 -7.515 -5.837
291 HB3 ASP 16 HB1 ASP 16 9.621 -9.014 -5.509
292 H ASP 17 HN ASP 17 9.740 -5.720 -4.019
293 HA ASP 17 HA ASP 17 12.516 -6.222 -3.892
294 HB2 ASP 17 HB2 ASP 17 10.906 -3.696 -3.488
295 HB3 ASP 17 HB1 ASP 17 12.669 -3.732 -3.482
296 H SER 18 HN SER 18 10.185 -6.328 -1.478
297 HA SER 18 HA SER 18 11.427 -5.178 0.726
298 HB2 SER 18 HB2 SER 18 10.027 -6.651 2.078
299 HB3 SER 18 HB1 SER 18 9.102 -6.051 0.702
300 HG SER 18 HG SER 18 8.845 -8.054 0.164
301 H SER 19 HN SER 19 11.995 -8.203 -0.853
302 HA SER 19 HA SER 19 13.868 -9.091 1.217
303 HB2 SER 19 HB2 SER 19 12.994 -10.392 -1.363
304 HB3 SER 19 HB1 SER 19 14.125 -11.106 -0.217
305 HG SER 19 HG SER 19 11.609 -10.168 0.633
306 H SER 20 HN SER 20 13.911 -7.271 -1.584
307 HA SER 20 HA SER 20 16.614 -7.918 -2.417
308 HB2 SER 20 HB2 SER 20 16.332 -6.200 -4.082
309 HB3 SER 20 HB1 SER 20 14.855 -7.159 -4.023
310 HG SER 20 HG SER 20 15.096 -4.909 -2.371
311 H1 LYS 1 HN LYS 1 18.414 -6.537 -2.280
312 HA LYS 1 HA LYS 1 18.596 -5.061 0.181
313 HB2 LYS 1 HB2 LYS 1 20.552 -5.449 -2.097
314 HB3 LYS 1 HB1 LYS 1 20.934 -4.608 -0.593
315 HG2 LYS 1 HG2 LYS 1 20.399 -6.626 0.697
316 HG3 LYS 1 HG1 LYS 1 19.973 -7.477 -0.788
317 HD2 LYS 1 HD2 LYS 1 22.279 -7.167 -1.624
318 HD3 LYS 1 HD1 LYS 1 22.704 -6.335 -0.127
319 HE2 LYS 1 HE2 LYS 1 22.162 -8.356 1.167
320 HE3 LYS 1 HE1 LYS 1 21.704 -9.192 -0.318
321 HZ1 LYS 1 HZ1 LYS 1 24.358 -8.455 0.661
322 HZ2 LYS 1 HZ2 LYS 1 24.102 -8.413 -1.018
323 HZ3 LYS 1 HZ3 LYS 1 23.853 -9.854 -0.154
324 H ASN 2 HN ASN 2 16.973 -4.231 -2.361
325 HA ASN 2 HA ASN 2 18.047 -1.840 -3.327
326 HB2 ASN 2 HB2 ASN 2 15.143 -2.652 -3.044
327 HB3 ASN 2 HB1 ASN 2 15.714 -1.296 -4.012
328 HD21 ASN 2 HD21 ASN 2 14.445 -4.036 -4.702
329 HD22 ASN 2 HD22 ASN 2 15.479 -4.655 -5.903
330 HA PRO 3 HA PRO 3 17.480 1.013 0.043
331 HB2 PRO 3 HB2 PRO 3 17.041 3.352 -1.374
332 HB3 PRO 3 HB1 PRO 3 18.640 2.607 -1.172
333 HG2 PRO 3 HG2 PRO 3 16.758 2.449 -3.488
334 HG3 PRO 3 HG1 PRO 3 18.520 2.643 -3.482
335 HD2 PRO 3 HD2 PRO 3 17.358 0.260 -3.988
336 HD3 PRO 3 HD1 PRO 3 18.907 0.378 -3.135
337 H GLU 4 HN GLU 4 15.053 0.513 -2.354
338 HA GLU 4 HA GLU 4 12.999 2.162 -1.325
339 HB2 GLU 4 HB2 GLU 4 12.868 -0.382 -2.958
340 HB3 GLU 4 HB1 GLU 4 11.473 0.637 -2.597
341 HG2 GLU 4 HG2 GLU 4 12.562 2.548 -3.692
342 HG3 GLU 4 HG1 GLU 4 13.984 1.561 -4.024
343 H ALA 5 HN ALA 5 14.467 -0.606 -0.071
344 HA ALA 5 HA ALA 5 12.399 -2.024 1.133
345 HB1 ALA 5 HB1 ALA 5 15.066 -1.502 2.446
346 HB2 ALA 5 HB2 ALA 5 14.885 -2.594 1.072
347 HB3 ALA 5 HB3 ALA 5 14.045 -2.934 2.586
348 H GLU 6 HN GLU 6 13.806 1.062 1.965
349 HA GLU 6 HA GLU 6 12.878 1.272 4.631
350 HB2 GLU 6 HB2 GLU 6 13.458 3.353 2.515
351 HB3 GLU 6 HB1 GLU 6 13.034 3.758 4.179
352 HG2 GLU 6 HG2 GLU 6 14.957 2.515 5.011
353 HG3 GLU 6 HG1 GLU 6 15.351 1.977 3.380
354 H GLU 7 HN GLU 7 11.384 1.983 1.503
355 HA GLU 7 HA GLU 7 9.041 3.216 2.520
356 HB2 GLU 7 HB2 GLU 7 9.827 3.365 0.141
357 HB3 GLU 7 HB1 GLU 7 9.316 1.691 -0.079
358 HG2 GLU 7 HG2 GLU 7 7.526 3.151 -0.835
359 HG3 GLU 7 HG1 GLU 7 7.007 2.353 0.648
360 H ILE 8 HN ILE 8 9.888 -0.121 1.762
361 HA ILE 8 HA ILE 8 7.311 -1.250 2.089
362 HB ILE 8 HB ILE 8 10.115 -2.332 2.312
363 HG12 ILE 8 HG12 ILE 8 9.306 -3.717 0.381
364 HG13 ILE 8 HG11 ILE 8 7.765 -2.864 0.458
365 HG21 ILE 8 HG21 ILE 8 7.549 -3.725 3.069
366 HG22 ILE 8 HG22 ILE 8 9.068 -3.664 3.956
367 HG23 ILE 8 HG23 ILE 8 8.946 -4.627 2.486
368 HD11 ILE 8 HD11 ILE 8 8.806 -0.773 -0.091
369 HD12 ILE 8 HD12 ILE 8 9.435 -1.962 -1.236
370 HD13 ILE 8 HD13 ILE 8 10.412 -1.457 0.136
371 H THR 9 HN THR 9 9.904 -0.589 4.413
372 HA THR 9 HA THR 9 8.729 -1.832 6.645
373 HB THR 9 HB THR 9 10.530 0.600 6.516
374 HG1 THR 9 HG1 THR 9 10.989 -2.184 6.748
375 HG21 THR 9 HG21 THR 9 11.117 -0.160 8.860
376 HG22 THR 9 HG22 THR 9 9.714 -1.225 8.784
377 HG23 THR 9 HG23 THR 9 9.501 0.522 8.681
378 H ARG 10 HN ARG 10 8.436 1.450 5.342
379 HA ARG 10 HA ARG 10 6.753 2.495 7.369
380 HB2 ARG 10 HB2 ARG 10 7.165 3.243 4.471
381 HB3 ARG 10 HB1 ARG 10 6.101 4.142 5.552
382 HG2 ARG 10 HG2 ARG 10 7.890 4.750 6.991
383 HG3 ARG 10 HG1 ARG 10 8.981 3.569 6.264
384 HD2 ARG 10 HD2 ARG 10 9.361 5.965 5.533
385 HD3 ARG 10 HD1 ARG 10 9.109 4.816 4.223
386 HE ARG 10 HE ARG 10 7.081 5.866 3.740
387 HH11 ARG 10 HH11 ARG 10 5.610 7.573 3.970
388 HH12 ARG 10 HH12 ARG 10 5.685 8.596 5.367
389 HH21 ARG 10 HH21 ARG 10 8.378 6.920 6.769
390 HH22 ARG 10 HH22 ARG 10 7.255 8.226 6.953
391 H CYS 11 HN CYS 11 6.115 0.754 4.362
392 HA CYS 11 HA CYS 11 3.352 1.059 4.190
393 HB2 CYS 11 HB2 CYS 11 5.003 -0.126 2.582
394 HB3 CYS 11 HB1 CYS 11 4.704 -1.558 3.566
395 H LYS 12 HN LYS 12 5.235 -1.389 5.958
396 HA LYS 12 HA LYS 12 3.035 -2.839 6.965
397 HB2 LYS 12 HB2 LYS 12 5.846 -2.466 8.022
398 HB3 LYS 12 HB1 LYS 12 4.683 -3.590 8.727
399 HG2 LYS 12 HG2 LYS 12 4.466 -4.732 6.546
400 HG3 LYS 12 HG1 LYS 12 5.638 -3.614 5.848
401 HD2 LYS 12 HD2 LYS 12 7.333 -4.386 7.484
402 HD3 LYS 12 HD1 LYS 12 6.163 -5.533 8.138
403 HE2 LYS 12 HE2 LYS 12 7.140 -5.485 5.267
404 HE3 LYS 12 HE1 LYS 12 7.685 -6.615 6.506
405 HZ1 LYS 12 HZ1 LYS 12 5.463 -6.850 4.862
406 HZ2 LYS 12 HZ2 LYS 12 4.866 -6.569 6.427
407 HZ3 LYS 12 HZ3 LYS 12 5.918 -7.871 6.139
408 H LYS 13 HN LYS 13 4.820 -0.055 8.239
409 HA LYS 13 HA LYS 13 3.479 0.076 10.740
410 HB2 LYS 13 HB2 LYS 13 4.818 2.245 9.110
411 HB3 LYS 13 HB1 LYS 13 4.318 2.412 10.793
412 HG2 LYS 13 HG2 LYS 13 6.269 0.324 9.782
413 HG3 LYS 13 HG1 LYS 13 6.743 1.838 10.548
414 HD2 LYS 13 HD2 LYS 13 5.219 1.068 12.515
415 HD3 LYS 13 HD1 LYS 13 5.315 -0.528 11.772
416 HE2 LYS 13 HE2 LYS 13 7.673 1.146 12.647
417 HE3 LYS 13 HE1 LYS 13 7.050 -0.287 13.464
418 HZ1 LYS 13 HZ1 LYS 13 8.914 -0.848 12.053
419 HZ2 LYS 13 HZ2 LYS 13 8.125 -0.195 10.698
420 HZ3 LYS 13 HZ3 LYS 13 7.499 -1.576 11.466
421 H LEU 14 HN LEU 14 2.815 1.523 7.594
422 HA LEU 14 HA LEU 14 0.664 3.158 8.416
423 HB2 LEU 14 HB2 LEU 14 1.367 1.903 5.761
424 HB3 LEU 14 HB1 LEU 14 0.013 3.015 5.963
425 HG LEU 14 HG LEU 14 2.851 3.692 6.792
426 HD11 LEU 14 HD11 LEU 14 1.403 4.341 4.205
427 HD12 LEU 14 HD12 LEU 14 2.817 3.302 4.374
428 HD13 LEU 14 HD13 LEU 14 2.949 5.029 4.697
429 HD21 LEU 14 HD21 LEU 14 0.238 5.196 6.609
430 HD22 LEU 14 HD22 LEU 14 1.755 6.070 6.384
431 HD23 LEU 14 HD23 LEU 14 1.447 5.220 7.894
432 H LEU 15 HN LEU 15 0.782 -0.165 7.228
433 HA LEU 15 HA LEU 15 -2.017 -0.579 7.143
434 HB2 LEU 15 HB2 LEU 15 0.300 -2.499 7.428
435 HB3 LEU 15 HB1 LEU 15 -1.376 -3.015 7.220
436 HG LEU 15 HG LEU 15 0.046 -1.137 5.311
437 HD11 LEU 15 HD11 LEU 15 -0.441 -4.109 5.000
438 HD12 LEU 15 HD12 LEU 15 1.120 -3.380 5.376
439 HD13 LEU 15 HD13 LEU 15 0.339 -3.046 3.830
440 HD21 LEU 15 HD21 LEU 15 -2.669 -2.442 5.393
441 HD22 LEU 15 HD22 LEU 15 -1.905 -2.191 3.821
442 HD23 LEU 15 HD23 LEU 15 -2.223 -0.816 4.873
443 H ASP 16 HN ASP 16 0.392 -1.052 9.666
444 HA ASP 16 HA ASP 16 -1.259 -2.377 11.528
445 HB2 ASP 16 HB2 ASP 16 1.190 -0.642 11.868
446 HB3 ASP 16 HB1 ASP 16 0.404 -1.469 13.212
447 H ASP 17 HN ASP 17 -0.726 1.021 10.826
448 HA ASP 17 HA ASP 17 -2.060 2.107 13.065
449 HB2 ASP 17 HB2 ASP 17 -1.543 3.212 10.299
450 HB3 ASP 17 HB1 ASP 17 -2.301 4.147 11.589
451 H SER 18 HN SER 18 -3.254 0.293 10.503
452 HA SER 18 HA SER 18 -5.678 1.499 9.881
453 HB2 SER 18 HB2 SER 18 -6.416 -0.720 9.185
454 HB3 SER 18 HB1 SER 18 -4.733 -0.485 8.718
455 HG SER 18 HG SER 18 -4.298 -2.151 9.901
456 H SER 19 HN SER 19 -4.734 -0.368 12.636
457 HA SER 19 HA SER 19 -7.465 -0.454 13.691
458 HB2 SER 19 HB2 SER 19 -4.868 -1.500 14.821
459 HB3 SER 19 HB1 SER 19 -6.442 -1.688 15.588
460 HG SER 19 HG SER 19 -6.089 -2.444 12.906
461 H SER 20 HN SER 20 -4.817 1.582 13.762
462 HA SER 20 HA SER 20 -5.258 2.692 16.406
463 HB2 SER 20 HB2 SER 20 -3.508 4.249 15.868
464 HB3 SER 20 HB1 SER 20 -3.008 2.657 15.305
465 HG SER 20 HG SER 20 -4.447 4.318 13.574
466 H2 ZBR 100 HA3 TBS 100 -1.445 0.515 -2.064
467 H4 ZBR 100 HC3 TBS 100 0.450 1.165 1.769
468 H6 ZBR 100 HB3 TBS 100 2.761 -0.356 -1.563
469 H7 ZBR 100 HB11 TBS 100 1.536 0.117 -3.907
470 H7A ZBR 100 HB12 TBS 100 -0.201 -0.210 -3.903
471 H8 ZBR 100 HA11 TBS 100 -2.366 2.124 -0.147
472 H8A ZBR 100 HA12 TBS 100 -1.797 1.750 1.487
473 H9 ZBR 100 HC11 TBS 100 3.122 1.307 1.534
474 H9A ZBR 100 HC12 TBS 100 3.833 0.087 0.470
Start of MODEL 9
1 H1 LYS 1 HN LYS 1 -6.461 5.056 16.818
2 HA LYS 1 HA LYS 1 -8.455 5.829 14.892
3 HB2 LYS 1 HB2 LYS 1 -7.554 7.329 17.363
4 HB3 LYS 1 HB1 LYS 1 -9.093 7.495 16.522
5 HG2 LYS 1 HG2 LYS 1 -8.156 4.940 17.860
6 HG3 LYS 1 HG1 LYS 1 -9.245 6.107 18.611
7 HD2 LYS 1 HD2 LYS 1 -10.794 5.805 16.639
8 HD3 LYS 1 HD1 LYS 1 -9.749 4.497 16.092
9 HE2 LYS 1 HE2 LYS 1 -11.575 3.550 17.357
10 HE3 LYS 1 HE1 LYS 1 -10.077 3.358 18.271
11 HZ1 LYS 1 HZ1 LYS 1 -10.634 5.172 19.651
12 HZ2 LYS 1 HZ2 LYS 1 -12.026 4.202 19.565
13 HZ3 LYS 1 HZ3 LYS 1 -11.930 5.636 18.659
14 H ASN 2 HN ASN 2 -5.344 6.101 14.634
15 HA ASN 2 HA ASN 2 -4.811 8.793 14.354
16 HB2 ASN 2 HB2 ASN 2 -3.154 6.848 14.359
17 HB3 ASN 2 HB1 ASN 2 -3.471 6.733 12.630
18 HD21 ASN 2 HD21 ASN 2 -1.840 7.827 11.506
19 HD22 ASN 2 HD22 ASN 2 -1.132 9.291 11.987
20 HA PRO 3 HA PRO 3 -7.166 9.912 10.675
21 HB2 PRO 3 HB2 PRO 3 -4.826 11.700 10.081
22 HB3 PRO 3 HB1 PRO 3 -6.550 12.104 10.198
23 HG2 PRO 3 HG2 PRO 3 -4.850 12.757 12.136
24 HG3 PRO 3 HG1 PRO 3 -6.502 12.227 12.501
25 HD2 PRO 3 HD2 PRO 3 -3.928 10.729 12.782
26 HD3 PRO 3 HD1 PRO 3 -5.399 10.694 13.778
27 H GLU 4 HN GLU 4 -3.825 8.900 10.556
28 HA GLU 4 HA GLU 4 -3.457 8.742 7.765
29 HB2 GLU 4 HB2 GLU 4 -2.237 7.138 10.014
30 HB3 GLU 4 HB1 GLU 4 -1.701 7.041 8.339
31 HG2 GLU 4 HG2 GLU 4 -1.179 9.429 8.328
32 HG3 GLU 4 HG1 GLU 4 -1.781 9.594 9.976
33 H ALA 5 HN ALA 5 -5.447 6.946 9.852
34 HA ALA 5 HA ALA 5 -5.460 4.399 8.682
35 HB1 ALA 5 HB1 ALA 5 -7.650 4.120 9.689
36 HB2 ALA 5 HB2 ALA 5 -7.836 5.866 9.853
37 HB3 ALA 5 HB3 ALA 5 -6.621 5.016 10.808
38 H GLU 6 HN GLU 6 -6.788 7.429 7.605
39 HA GLU 6 HA GLU 6 -8.724 6.495 5.786
40 HB2 GLU 6 HB2 GLU 6 -7.012 8.988 5.772
41 HB3 GLU 6 HB1 GLU 6 -8.321 8.699 4.626
42 HG2 GLU 6 HG2 GLU 6 -9.918 8.487 6.484
43 HG3 GLU 6 HG1 GLU 6 -8.614 8.738 7.643
44 H GLU 7 HN GLU 7 -5.235 6.963 5.472
45 HA GLU 7 HA GLU 7 -5.045 6.594 2.690
46 HB2 GLU 7 HB2 GLU 7 -3.224 7.457 4.209
47 HB3 GLU 7 HB1 GLU 7 -2.970 5.793 4.735
48 HG2 GLU 7 HG2 GLU 7 -1.396 6.269 2.955
49 HG3 GLU 7 HG1 GLU 7 -2.610 5.152 2.333
50 H ILE 8 HN ILE 8 -5.051 4.314 5.372
51 HA ILE 8 HA ILE 8 -4.390 1.991 3.904
52 HB ILE 8 HB ILE 8 -5.858 2.456 6.505
53 HG12 ILE 8 HG12 ILE 8 -3.833 1.393 7.429
54 HG13 ILE 8 HG11 ILE 8 -3.218 1.125 5.799
55 HG21 ILE 8 HG21 ILE 8 -6.912 0.470 5.747
56 HG22 ILE 8 HG22 ILE 8 -5.578 -0.119 6.732
57 HG23 ILE 8 HG23 ILE 8 -5.444 -0.122 4.977
58 HD11 ILE 8 HD11 ILE 8 -2.886 3.433 5.417
59 HD12 ILE 8 HD12 ILE 8 -2.350 3.203 7.078
60 HD13 ILE 8 HD13 ILE 8 -3.937 3.899 6.755
61 H THR 9 HN THR 9 -7.475 3.564 4.634
62 HA THR 9 HA THR 9 -9.188 1.589 3.599
63 HB THR 9 HB THR 9 -9.545 4.596 3.651
64 HG1 THR 9 HG1 THR 9 -10.011 2.492 5.457
65 HG21 THR 9 HG21 THR 9 -11.144 3.689 2.123
66 HG22 THR 9 HG22 THR 9 -11.997 3.925 3.647
67 HG23 THR 9 HG23 THR 9 -11.466 2.311 3.174
68 H ARG 10 HN ARG 10 -7.537 4.307 2.039
69 HA ARG 10 HA ARG 10 -8.693 4.022 -0.530
70 HB2 ARG 10 HB2 ARG 10 -6.059 5.159 0.412
71 HB3 ARG 10 HB1 ARG 10 -6.567 5.200 -1.276
72 HG2 ARG 10 HG2 ARG 10 -8.485 6.530 -0.765
73 HG3 ARG 10 HG1 ARG 10 -8.281 6.276 0.969
74 HD2 ARG 10 HD2 ARG 10 -7.481 8.517 0.202
75 HD3 ARG 10 HD1 ARG 10 -6.226 7.558 0.972
76 HE ARG 10 HE ARG 10 -5.133 7.381 -1.084
77 HH11 ARG 10 HH11 ARG 10 -4.824 8.035 -3.238
78 HH12 ARG 10 HH12 ARG 10 -6.095 8.853 -4.084
79 HH21 ARG 10 HH21 ARG 10 -8.294 8.759 -1.404
80 HH22 ARG 10 HH22 ARG 10 -8.062 9.263 -3.045
81 H CYS 11 HN CYS 11 -5.839 2.569 0.981
82 HA CYS 11 HA CYS 11 -4.791 1.282 -1.286
83 HB2 CYS 11 HB2 CYS 11 -4.650 0.717 1.660
84 HB3 CYS 11 HB1 CYS 11 -3.908 -0.375 0.493
85 H LYS 12 HN LYS 12 -7.240 0.236 1.060
86 HA LYS 12 HA LYS 12 -7.561 -2.399 0.129
87 HB2 LYS 12 HB2 LYS 12 -8.522 -1.540 2.249
88 HB3 LYS 12 HB1 LYS 12 -9.664 -0.571 1.317
89 HG2 LYS 12 HG2 LYS 12 -10.605 -2.599 0.310
90 HG3 LYS 12 HG1 LYS 12 -9.435 -3.592 1.179
91 HD2 LYS 12 HD2 LYS 12 -10.361 -2.797 3.325
92 HD3 LYS 12 HD1 LYS 12 -11.542 -1.821 2.449
93 HE2 LYS 12 HE2 LYS 12 -12.459 -3.864 1.408
94 HE3 LYS 12 HE1 LYS 12 -11.279 -4.837 2.285
95 HZ1 LYS 12 HZ1 LYS 12 -13.665 -4.459 3.234
96 HZ2 LYS 12 HZ2 LYS 12 -12.993 -3.005 3.799
97 HZ3 LYS 12 HZ3 LYS 12 -12.320 -4.492 4.268
98 H LYS 13 HN LYS 13 -9.212 0.608 -0.797
99 HA LYS 13 HA LYS 13 -10.939 -0.558 -2.720
100 HB2 LYS 13 HB2 LYS 13 -11.297 1.694 -1.765
101 HB3 LYS 13 HB1 LYS 13 -9.867 2.270 -2.623
102 HG2 LYS 13 HG2 LYS 13 -10.904 1.690 -4.779
103 HG3 LYS 13 HG1 LYS 13 -12.322 1.061 -3.938
104 HD2 LYS 13 HD2 LYS 13 -12.743 3.296 -2.980
105 HD3 LYS 13 HD1 LYS 13 -11.332 3.924 -3.831
106 HE2 LYS 13 HE2 LYS 13 -12.355 3.330 -5.990
107 HE3 LYS 13 HE1 LYS 13 -13.764 2.681 -5.151
108 HZ1 LYS 13 HZ1 LYS 13 -13.288 5.259 -4.186
109 HZ2 LYS 13 HZ2 LYS 13 -14.613 4.707 -5.095
110 HZ3 LYS 13 HZ3 LYS 13 -13.244 5.336 -5.880
111 H LEU 14 HN LEU 14 -7.686 0.810 -2.920
112 HA LEU 14 HA LEU 14 -7.427 0.779 -5.718
113 HB2 LEU 14 HB2 LEU 14 -5.457 0.639 -3.442
114 HB3 LEU 14 HB1 LEU 14 -4.913 0.600 -5.118
115 HG LEU 14 HG LEU 14 -6.798 2.768 -4.160
116 HD11 LEU 14 HD11 LEU 14 -5.037 3.118 -2.641
117 HD12 LEU 14 HD12 LEU 14 -4.589 4.153 -3.992
118 HD13 LEU 14 HD13 LEU 14 -3.807 2.584 -3.784
119 HD21 LEU 14 HD21 LEU 14 -4.822 2.440 -6.442
120 HD22 LEU 14 HD22 LEU 14 -5.492 4.007 -6.002
121 HD23 LEU 14 HD23 LEU 14 -6.561 2.720 -6.550
122 H LEU 15 HN LEU 15 -6.714 -1.685 -3.290
123 HA LEU 15 HA LEU 15 -5.549 -3.560 -5.054
124 HB2 LEU 15 HB2 LEU 15 -6.995 -3.895 -2.420
125 HB3 LEU 15 HB1 LEU 15 -6.176 -5.216 -3.256
126 HG LEU 15 HG LEU 15 -4.823 -2.615 -2.488
127 HD11 LEU 15 HD11 LEU 15 -3.764 -3.945 -0.672
128 HD12 LEU 15 HD12 LEU 15 -4.833 -5.289 -1.068
129 HD13 LEU 15 HD13 LEU 15 -5.508 -3.777 -0.459
130 HD21 LEU 15 HD21 LEU 15 -3.446 -3.500 -4.130
131 HD22 LEU 15 HD22 LEU 15 -3.919 -5.166 -3.800
132 HD23 LEU 15 HD23 LEU 15 -2.792 -4.334 -2.726
133 H ASP 16 HN ASP 16 -8.879 -3.009 -4.023
134 HA ASP 16 HA ASP 16 -10.025 -5.265 -5.283
135 HB2 ASP 16 HB2 ASP 16 -11.166 -2.583 -4.497
136 HB3 ASP 16 HB1 ASP 16 -12.144 -3.872 -5.196
137 H ASP 17 HN ASP 17 -9.307 -2.014 -6.414
138 HA ASP 17 HA ASP 17 -10.667 -2.162 -8.888
139 HB2 ASP 17 HB2 ASP 17 -8.328 -0.486 -7.968
140 HB3 ASP 17 HB1 ASP 17 -9.079 -0.308 -9.552
141 H SER 18 HN SER 18 -7.966 -3.823 -7.769
142 HA SER 18 HA SER 18 -6.297 -3.948 -9.991
143 HB2 SER 18 HB2 SER 18 -5.467 -6.041 -9.043
144 HB3 SER 18 HB1 SER 18 -5.737 -4.865 -7.759
145 HG SER 18 HG SER 18 -7.634 -6.810 -8.577
146 H SER 19 HN SER 19 -9.283 -5.549 -9.320
147 HA SER 19 HA SER 19 -9.064 -7.336 -11.603
148 HB2 SER 19 HB2 SER 19 -11.332 -6.805 -9.685
149 HB3 SER 19 HB1 SER 19 -11.400 -7.985 -10.990
150 HG SER 19 HG SER 19 -10.283 -9.287 -9.788
151 H SER 20 HN SER 20 -10.136 -4.201 -11.003
152 HA SER 20 HA SER 20 -12.031 -4.054 -13.197
153 HB2 SER 20 HB2 SER 20 -12.094 -2.638 -11.056
154 HB3 SER 20 HB1 SER 20 -10.806 -1.687 -11.792
155 HG SER 20 HG SER 20 -13.282 -1.295 -12.178
156 H1 LYS 1 HN LYS 1 -11.749 -2.855 -15.113
157 HA LYS 1 HA LYS 1 -9.094 -3.027 -16.227
158 HB2 LYS 1 HB2 LYS 1 -11.559 -1.767 -17.451
159 HB3 LYS 1 HB1 LYS 1 -10.136 -2.368 -18.295
160 HG2 LYS 1 HG2 LYS 1 -11.973 -4.122 -16.640
161 HG3 LYS 1 HG1 LYS 1 -12.102 -3.939 -18.389
162 HD2 LYS 1 HD2 LYS 1 -9.697 -4.700 -18.556
163 HD3 LYS 1 HD1 LYS 1 -9.759 -5.067 -16.834
164 HE2 LYS 1 HE2 LYS 1 -10.233 -7.084 -18.094
165 HE3 LYS 1 HE1 LYS 1 -11.688 -6.566 -17.239
166 HZ1 LYS 1 HZ1 LYS 1 -12.579 -5.655 -19.205
167 HZ2 LYS 1 HZ2 LYS 1 -11.998 -7.194 -19.631
168 HZ3 LYS 1 HZ3 LYS 1 -11.110 -5.804 -20.042
169 H ASN 2 HN ASN 2 -10.157 -0.996 -14.085
170 HA ASN 2 HA ASN 2 -9.900 1.522 -15.182
171 HB2 ASN 2 HB2 ASN 2 -10.766 0.894 -12.862
172 HB3 ASN 2 HB1 ASN 2 -9.080 0.943 -12.353
173 HD21 ASN 2 HD21 ASN 2 -8.660 2.951 -11.396
174 HD22 ASN 2 HD22 ASN 2 -9.264 4.439 -11.941
175 HA PRO 3 HA PRO 3 -5.494 1.785 -16.095
176 HB2 PRO 3 HB2 PRO 3 -5.783 4.651 -15.245
177 HB3 PRO 3 HB1 PRO 3 -5.132 3.985 -16.757
178 HG2 PRO 3 HG2 PRO 3 -7.539 5.109 -16.677
179 HG3 PRO 3 HG1 PRO 3 -7.225 3.680 -17.679
180 HD2 PRO 3 HD2 PRO 3 -8.672 3.882 -15.069
181 HD3 PRO 3 HD1 PRO 3 -8.974 2.843 -16.478
182 H GLU 4 HN GLU 4 -6.864 2.871 -13.072
183 HA GLU 4 HA GLU 4 -4.505 3.461 -11.648
184 HB2 GLU 4 HB2 GLU 4 -7.186 2.442 -10.700
185 HB3 GLU 4 HB1 GLU 4 -5.901 2.969 -9.617
186 HG2 GLU 4 HG2 GLU 4 -5.902 5.192 -10.643
187 HG3 GLU 4 HG1 GLU 4 -7.138 4.684 -11.792
188 H ALA 5 HN ALA 5 -5.715 0.511 -12.822
189 HA ALA 5 HA ALA 5 -4.855 -1.335 -10.892
190 HB1 ALA 5 HB1 ALA 5 -4.882 -2.975 -12.681
191 HB2 ALA 5 HB2 ALA 5 -4.823 -1.701 -13.898
192 HB3 ALA 5 HB3 ALA 5 -6.255 -1.886 -12.885
193 H GLU 6 HN GLU 6 -3.088 0.567 -13.209
194 HA GLU 6 HA GLU 6 -0.708 -0.931 -13.358
195 HB2 GLU 6 HB2 GLU 6 -1.220 2.039 -13.592
196 HB3 GLU 6 HB1 GLU 6 0.349 1.299 -13.909
197 HG2 GLU 6 HG2 GLU 6 -0.661 -0.125 -15.642
198 HG3 GLU 6 HG1 GLU 6 -2.241 0.583 -15.312
199 H GLU 7 HN GLU 7 -1.852 1.451 -11.013
200 HA GLU 7 HA GLU 7 0.558 1.779 -9.595
201 HB2 GLU 7 HB2 GLU 7 -1.500 3.220 -9.387
202 HB3 GLU 7 HB1 GLU 7 -2.225 1.926 -8.432
203 HG2 GLU 7 HG2 GLU 7 -1.231 3.519 -6.902
204 HG3 GLU 7 HG1 GLU 7 -0.252 2.053 -6.877
205 H ILE 8 HN ILE 8 -2.064 -0.552 -9.275
206 HA ILE 8 HA ILE 8 -1.200 -1.779 -6.876
207 HB ILE 8 HB ILE 8 -2.909 -2.709 -9.191
208 HG12 ILE 8 HG12 ILE 8 -4.668 -2.620 -7.453
209 HG13 ILE 8 HG11 ILE 8 -3.463 -2.150 -6.256
210 HG21 ILE 8 HG21 ILE 8 -1.968 -4.768 -8.506
211 HG22 ILE 8 HG22 ILE 8 -3.448 -4.667 -7.558
212 HG23 ILE 8 HG23 ILE 8 -1.896 -4.281 -6.816
213 HD11 ILE 8 HD11 ILE 8 -3.121 -0.040 -7.244
214 HD12 ILE 8 HD12 ILE 8 -4.864 -0.271 -7.379
215 HD13 ILE 8 HD13 ILE 8 -3.829 -0.538 -8.782
216 H THR 9 HN THR 9 -0.434 -2.378 -10.279
217 HA THR 9 HA THR 9 1.050 -4.742 -9.945
218 HB THR 9 HB THR 9 1.402 -2.531 -11.983
219 HG1 THR 9 HG1 THR 9 -0.181 -4.859 -11.814
220 HG21 THR 9 HG21 THR 9 3.376 -3.859 -12.042
221 HG22 THR 9 HG22 THR 9 2.351 -4.489 -13.332
222 HG23 THR 9 HG23 THR 9 2.469 -5.351 -11.798
223 H ARG 10 HN ARG 10 1.994 -1.331 -9.769
224 HA ARG 10 HA ARG 10 4.777 -1.725 -9.441
225 HB2 ARG 10 HB2 ARG 10 2.914 0.495 -8.595
226 HB3 ARG 10 HB1 ARG 10 4.656 0.559 -8.332
227 HG2 ARG 10 HG2 ARG 10 5.109 0.448 -10.678
228 HG3 ARG 10 HG1 ARG 10 3.433 0.042 -11.049
229 HD2 ARG 10 HD2 ARG 10 3.985 2.437 -11.501
230 HD3 ARG 10 HD1 ARG 10 2.685 2.233 -10.336
231 HE ARG 10 HE ARG 10 4.082 3.082 -8.666
232 HH11 ARG 10 HH11 ARG 10 5.959 4.182 -8.011
233 HH12 ARG 10 HH12 ARG 10 7.319 4.282 -9.077
234 HH21 ARG 10 HH21 ARG 10 5.795 2.476 -11.615
235 HH22 ARG 10 HH22 ARG 10 7.226 3.316 -11.120
236 H CYS 11 HN CYS 11 2.098 -1.588 -7.129
237 HA CYS 11 HA CYS 11 3.604 -1.606 -4.754
238 HB2 CYS 11 HB2 CYS 11 0.841 -2.551 -5.463
239 HB3 CYS 11 HB1 CYS 11 1.490 -2.793 -3.842
240 H LYS 12 HN LYS 12 2.425 -4.266 -6.786
241 HA LYS 12 HA LYS 12 3.188 -6.393 -5.118
242 HB2 LYS 12 HB2 LYS 12 1.741 -6.634 -7.121
243 HB3 LYS 12 HB1 LYS 12 3.144 -6.324 -8.146
244 HG2 LYS 12 HG2 LYS 12 4.275 -8.303 -7.238
245 HG3 LYS 12 HG1 LYS 12 2.914 -8.604 -6.158
246 HD2 LYS 12 HD2 LYS 12 1.431 -8.880 -8.114
247 HD3 LYS 12 HD1 LYS 12 2.802 -8.596 -9.188
248 HE2 LYS 12 HE2 LYS 12 3.952 -10.567 -8.244
249 HE3 LYS 12 HE1 LYS 12 2.581 -10.849 -7.172
250 HZ1 LYS 12 HZ1 LYS 12 2.777 -12.035 -9.492
251 HZ2 LYS 12 HZ2 LYS 12 2.048 -10.600 -10.035
252 HZ3 LYS 12 HZ3 LYS 12 1.273 -11.562 -8.867
253 H LYS 13 HN LYS 13 4.966 -4.724 -7.700
254 HA LYS 13 HA LYS 13 7.328 -6.280 -7.506
255 HB2 LYS 13 HB2 LYS 13 6.810 -4.857 -9.453
256 HB3 LYS 13 HB1 LYS 13 7.024 -3.422 -8.451
257 HG2 LYS 13 HG2 LYS 13 9.359 -4.049 -8.011
258 HG3 LYS 13 HG1 LYS 13 9.156 -5.521 -8.963
259 HD2 LYS 13 HD2 LYS 13 8.650 -4.160 -10.956
260 HD3 LYS 13 HD1 LYS 13 8.865 -2.689 -10.004
261 HE2 LYS 13 HE2 LYS 13 11.202 -3.333 -9.536
262 HE3 LYS 13 HE1 LYS 13 10.987 -4.803 -10.487
263 HZ1 LYS 13 HZ1 LYS 13 10.126 -2.645 -12.032
264 HZ2 LYS 13 HZ2 LYS 13 11.472 -3.650 -12.294
265 HZ3 LYS 13 HZ3 LYS 13 11.637 -2.226 -11.383
266 H LEU 14 HN LEU 14 6.270 -3.305 -5.915
267 HA LEU 14 HA LEU 14 8.692 -2.670 -4.643
268 HB2 LEU 14 HB2 LEU 14 5.801 -2.095 -4.025
269 HB3 LEU 14 HB1 LEU 14 7.087 -1.509 -2.973
270 HG LEU 14 HG LEU 14 7.193 -1.002 -5.958
271 HD11 LEU 14 HD11 LEU 14 5.104 -0.021 -5.492
272 HD12 LEU 14 HD12 LEU 14 6.220 1.322 -5.267
273 HD13 LEU 14 HD13 LEU 14 5.578 0.461 -3.865
274 HD21 LEU 14 HD21 LEU 14 8.368 0.303 -3.478
275 HD22 LEU 14 HD22 LEU 14 8.414 1.066 -5.064
276 HD23 LEU 14 HD23 LEU 14 9.242 -0.467 -4.804
277 H LEU 15 HN LEU 15 5.988 -4.697 -3.614
278 HA LEU 15 HA LEU 15 6.949 -5.233 -1.011
279 HB2 LEU 15 HB2 LEU 15 5.134 -6.798 -2.852
280 HB3 LEU 15 HB1 LEU 15 5.439 -7.245 -1.173
281 HG LEU 15 HG LEU 15 4.396 -4.532 -2.031
282 HD11 LEU 15 HD11 LEU 15 2.201 -5.347 -1.175
283 HD12 LEU 15 HD12 LEU 15 2.898 -6.960 -1.016
284 HD13 LEU 15 HD13 LEU 15 2.743 -6.220 -2.610
285 HD21 LEU 15 HD21 LEU 15 5.256 -4.178 0.101
286 HD22 LEU 15 HD22 LEU 15 4.973 -5.840 0.619
287 HD23 LEU 15 HD23 LEU 15 3.627 -4.703 0.510
288 H ASP 16 HN ASP 16 7.437 -6.842 -4.110
289 HA ASP 16 HA ASP 16 8.864 -9.078 -3.134
290 HB2 ASP 16 HB2 ASP 16 8.854 -7.692 -5.815
291 HB3 ASP 16 HB1 ASP 16 9.785 -9.154 -5.499
292 H ASP 17 HN ASP 17 9.866 -5.844 -4.083
293 HA ASP 17 HA ASP 17 12.659 -6.277 -4.026
294 HB2 ASP 17 HB2 ASP 17 10.996 -3.778 -3.688
295 HB3 ASP 17 HB1 ASP 17 12.758 -3.767 -3.723
296 H SER 18 HN SER 18 10.391 -6.294 -1.541
297 HA SER 18 HA SER 18 11.713 -5.046 0.564
298 HB2 SER 18 HB2 SER 18 10.323 -6.400 2.029
299 HB3 SER 18 HB1 SER 18 9.377 -5.889 0.633
300 HG SER 18 HG SER 18 10.760 -8.358 0.814
301 H SER 19 HN SER 19 12.190 -8.149 -0.888
302 HA SER 19 HA SER 19 14.015 -9.052 1.192
303 HB2 SER 19 HB2 SER 19 13.256 -10.234 -1.475
304 HB3 SER 19 HB1 SER 19 14.392 -10.987 -0.362
305 HG SER 19 HG SER 19 12.766 -11.621 0.805
306 H SER 20 HN SER 20 14.196 -7.243 -1.649
307 HA SER 20 HA SER 20 16.991 -7.782 -2.217
308 HB2 SER 20 HB2 SER 20 15.204 -7.072 -3.928
309 HB3 SER 20 HB1 SER 20 15.420 -5.444 -3.292
310 HG SER 20 HG SER 20 16.825 -6.411 -5.137
311 H1 LYS 1 HN LYS 1 18.707 -6.327 -1.926
312 HA LYS 1 HA LYS 1 18.563 -4.772 0.489
313 HB2 LYS 1 HB2 LYS 1 20.808 -4.862 -1.539
314 HB3 LYS 1 HB1 LYS 1 20.919 -4.410 0.159
315 HG2 LYS 1 HG2 LYS 1 20.100 -7.162 -0.820
316 HG3 LYS 1 HG1 LYS 1 21.728 -6.741 -0.290
317 HD2 LYS 1 HD2 LYS 1 20.732 -6.039 1.925
318 HD3 LYS 1 HD1 LYS 1 19.195 -6.698 1.374
319 HE2 LYS 1 HE2 LYS 1 20.353 -8.363 2.704
320 HE3 LYS 1 HE1 LYS 1 20.269 -8.893 1.024
321 HZ1 LYS 1 HZ1 LYS 1 22.498 -8.270 0.663
322 HZ2 LYS 1 HZ2 LYS 1 22.489 -9.133 2.127
323 HZ3 LYS 1 HZ3 LYS 1 22.592 -7.438 2.139
324 H ASN 2 HN ASN 2 17.223 -4.107 -2.264
325 HA ASN 2 HA ASN 2 18.288 -1.700 -3.095
326 HB2 ASN 2 HB2 ASN 2 16.530 -3.128 -4.268
327 HB3 ASN 2 HB1 ASN 2 15.348 -2.280 -3.275
328 HD21 ASN 2 HD21 ASN 2 14.446 -0.601 -4.491
329 HD22 ASN 2 HD22 ASN 2 15.296 0.406 -5.556
330 HA PRO 3 HA PRO 3 17.240 1.077 0.298
331 HB2 PRO 3 HB2 PRO 3 16.831 3.108 -1.875
332 HB3 PRO 3 HB1 PRO 3 17.861 3.196 -0.432
333 HG2 PRO 3 HG2 PRO 3 18.908 2.794 -2.843
334 HG3 PRO 3 HG1 PRO 3 19.562 1.983 -1.408
335 HD2 PRO 3 HD2 PRO 3 17.849 0.872 -3.595
336 HD3 PRO 3 HD1 PRO 3 19.165 0.122 -2.664
337 H GLU 4 HN GLU 4 15.201 0.665 -2.509
338 HA GLU 4 HA GLU 4 12.955 2.166 -1.713
339 HB2 GLU 4 HB2 GLU 4 13.167 -0.306 -3.432
340 HB3 GLU 4 HB1 GLU 4 11.687 0.629 -3.241
341 HG2 GLU 4 HG2 GLU 4 12.800 2.632 -4.105
342 HG3 GLU 4 HG1 GLU 4 14.321 1.752 -4.246
343 H ALA 5 HN ALA 5 14.286 -0.685 -0.435
344 HA ALA 5 HA ALA 5 12.030 -2.083 0.471
345 HB1 ALA 5 HB1 ALA 5 13.515 -3.100 2.104
346 HB2 ALA 5 HB2 ALA 5 14.694 -1.807 1.883
347 HB3 ALA 5 HB3 ALA 5 14.370 -2.938 0.570
348 H GLU 6 HN GLU 6 13.511 0.863 1.581
349 HA GLU 6 HA GLU 6 12.505 0.957 4.208
350 HB2 GLU 6 HB2 GLU 6 13.167 3.159 2.242
351 HB3 GLU 6 HB1 GLU 6 12.734 3.457 3.926
352 HG2 GLU 6 HG2 GLU 6 14.617 2.063 4.672
353 HG3 GLU 6 HG1 GLU 6 15.038 1.720 2.995
354 H GLU 7 HN GLU 7 11.074 1.854 1.103
355 HA GLU 7 HA GLU 7 8.794 3.173 2.096
356 HB2 GLU 7 HB2 GLU 7 9.599 3.182 -0.295
357 HB3 GLU 7 HB1 GLU 7 8.946 1.551 -0.448
358 HG2 GLU 7 HG2 GLU 7 7.271 3.110 -1.245
359 HG3 GLU 7 HG1 GLU 7 6.714 2.442 0.287
360 H ILE 8 HN ILE 8 9.441 -0.225 1.415
361 HA ILE 8 HA ILE 8 6.816 -1.200 1.803
362 HB ILE 8 HB ILE 8 9.556 -2.456 2.017
363 HG12 ILE 8 HG12 ILE 8 8.734 -3.698 0.032
364 HG13 ILE 8 HG11 ILE 8 7.192 -2.851 0.150
365 HG21 ILE 8 HG21 ILE 8 8.382 -3.743 3.615
366 HG22 ILE 8 HG22 ILE 8 8.164 -4.658 2.128
367 HG23 ILE 8 HG23 ILE 8 6.865 -3.634 2.731
368 HD11 ILE 8 HD11 ILE 8 8.145 -0.774 -0.429
369 HD12 ILE 8 HD12 ILE 8 8.961 -1.913 -1.501
370 HD13 ILE 8 HD13 ILE 8 9.782 -1.315 -0.058
371 H THR 9 HN THR 9 9.513 -0.646 4.029
372 HA THR 9 HA THR 9 8.384 -1.818 6.323
373 HB THR 9 HB THR 9 10.257 0.551 6.109
374 HG1 THR 9 HG1 THR 9 10.574 -2.246 6.207
375 HG21 THR 9 HG21 THR 9 9.334 0.543 8.312
376 HG22 THR 9 HG22 THR 9 10.907 -0.245 8.439
377 HG23 THR 9 HG23 THR 9 9.434 -1.214 8.419
378 H ARG 10 HN ARG 10 8.104 1.448 4.980
379 HA ARG 10 HA ARG 10 6.594 2.589 7.084
380 HB2 ARG 10 HB2 ARG 10 6.805 3.224 4.140
381 HB3 ARG 10 HB1 ARG 10 5.829 4.181 5.254
382 HG2 ARG 10 HG2 ARG 10 7.742 4.774 6.566
383 HG3 ARG 10 HG1 ARG 10 8.757 3.596 5.732
384 HD2 ARG 10 HD2 ARG 10 9.110 5.948 4.945
385 HD3 ARG 10 HD1 ARG 10 8.615 4.848 3.666
386 HE ARG 10 HE ARG 10 6.575 5.978 3.520
387 HH11 ARG 10 HH11 ARG 10 5.251 7.765 3.981
388 HH12 ARG 10 HH12 ARG 10 5.620 8.791 5.328
389 HH21 ARG 10 HH21 ARG 10 8.422 6.980 6.274
390 HH22 ARG 10 HH22 ARG 10 7.417 8.345 6.627
391 H CYS 11 HN CYS 11 5.664 0.803 4.172
392 HA CYS 11 HA CYS 11 2.878 1.172 4.337
393 HB2 CYS 11 HB2 CYS 11 4.622 -0.964 3.149
394 HB3 CYS 11 HB1 CYS 11 2.868 -1.128 3.135
395 H LYS 12 HN LYS 12 4.995 -1.276 5.796
396 HA LYS 12 HA LYS 12 2.992 -2.903 6.906
397 HB2 LYS 12 HB2 LYS 12 5.393 -3.522 6.784
398 HB3 LYS 12 HB1 LYS 12 5.747 -2.316 8.021
399 HG2 LYS 12 HG2 LYS 12 4.279 -3.483 9.608
400 HG3 LYS 12 HG1 LYS 12 3.872 -4.674 8.372
401 HD2 LYS 12 HD2 LYS 12 6.246 -5.338 8.238
402 HD3 LYS 12 HD1 LYS 12 6.643 -4.157 9.488
403 HE2 LYS 12 HE2 LYS 12 5.139 -5.320 11.064
404 HE3 LYS 12 HE1 LYS 12 4.745 -6.500 9.815
405 HZ1 LYS 12 HZ1 LYS 12 6.655 -6.917 11.555
406 HZ2 LYS 12 HZ2 LYS 12 7.569 -6.050 10.415
407 HZ3 LYS 12 HZ3 LYS 12 6.771 -7.479 9.960
408 H LYS 13 HN LYS 13 4.700 -0.091 8.241
409 HA LYS 13 HA LYS 13 3.403 -0.102 10.763
410 HB2 LYS 13 HB2 LYS 13 5.492 1.137 10.330
411 HB3 LYS 13 HB1 LYS 13 4.611 2.239 9.271
412 HG2 LYS 13 HG2 LYS 13 3.171 2.918 11.151
413 HG3 LYS 13 HG1 LYS 13 4.013 1.789 12.213
414 HD2 LYS 13 HD2 LYS 13 6.125 3.007 11.829
415 HD3 LYS 13 HD1 LYS 13 5.275 4.140 10.778
416 HE2 LYS 13 HE2 LYS 13 3.822 4.804 12.655
417 HE3 LYS 13 HE1 LYS 13 4.659 3.665 13.710
418 HZ1 LYS 13 HZ1 LYS 13 6.582 5.247 12.448
419 HZ2 LYS 13 HZ2 LYS 13 6.178 5.205 14.098
420 HZ3 LYS 13 HZ3 LYS 13 5.390 6.290 13.055
421 H LEU 14 HN LEU 14 2.653 1.444 7.674
422 HA LEU 14 HA LEU 14 0.528 3.055 8.557
423 HB2 LEU 14 HB2 LEU 14 1.240 1.820 5.903
424 HB3 LEU 14 HB1 LEU 14 -0.204 2.813 6.086
425 HG LEU 14 HG LEU 14 2.491 3.827 7.024
426 HD11 LEU 14 HD11 LEU 14 3.028 3.413 4.774
427 HD12 LEU 14 HD12 LEU 14 2.444 5.071 4.722
428 HD13 LEU 14 HD13 LEU 14 1.392 3.748 4.211
429 HD21 LEU 14 HD21 LEU 14 -0.149 5.079 6.198
430 HD22 LEU 14 HD22 LEU 14 1.327 6.023 6.369
431 HD23 LEU 14 HD23 LEU 14 0.654 5.188 7.766
432 H LEU 15 HN LEU 15 0.584 -0.270 7.365
433 HA LEU 15 HA LEU 15 -2.213 -0.662 7.342
434 HB2 LEU 15 HB2 LEU 15 0.092 -2.593 7.660
435 HB3 LEU 15 HB1 LEU 15 -1.587 -3.102 7.476
436 HG LEU 15 HG LEU 15 -0.150 -1.301 5.507
437 HD11 LEU 15 HD11 LEU 15 -0.088 -3.352 4.059
438 HD12 LEU 15 HD12 LEU 15 -0.590 -4.295 5.461
439 HD13 LEU 15 HD13 LEU 15 0.957 -3.450 5.478
440 HD21 LEU 15 HD21 LEU 15 -2.402 -0.941 5.072
441 HD22 LEU 15 HD22 LEU 15 -2.891 -2.536 5.641
442 HD23 LEU 15 HD23 LEU 15 -2.128 -2.354 4.059
443 H ASP 16 HN ASP 16 0.235 -1.143 9.838
444 HA ASP 16 HA ASP 16 -1.442 -2.367 11.756
445 HB2 ASP 16 HB2 ASP 16 1.092 -0.746 12.015
446 HB3 ASP 16 HB1 ASP 16 0.288 -1.491 13.395
447 H ASP 17 HN ASP 17 -0.742 0.999 11.012
448 HA ASP 17 HA ASP 17 -2.025 2.157 13.251
449 HB2 ASP 17 HB2 ASP 17 -1.421 3.230 10.491
450 HB3 ASP 17 HB1 ASP 17 -2.138 4.207 11.772
451 H SER 18 HN SER 18 -3.288 0.441 10.648
452 HA SER 18 HA SER 18 -5.649 1.783 10.048
453 HB2 SER 18 HB2 SER 18 -6.474 -0.356 9.247
454 HB3 SER 18 HB1 SER 18 -4.766 -0.206 8.843
455 HG SER 18 HG SER 18 -5.746 -1.476 11.179
456 H SER 19 HN SER 19 -4.808 -0.206 12.744
457 HA SER 19 HA SER 19 -7.529 -0.328 13.756
458 HB2 SER 19 HB2 SER 19 -4.902 -1.211 14.945
459 HB3 SER 19 HB1 SER 19 -6.460 -1.422 15.740
460 HG SER 19 HG SER 19 -6.834 -3.050 14.471
461 H SER 20 HN SER 20 -4.903 1.775 13.960
462 HA SER 20 HA SER 20 -5.612 2.968 16.510
463 HB2 SER 20 HB2 SER 20 -3.258 2.888 15.490
464 HB3 SER 20 HB1 SER 20 -3.795 4.199 14.444
465 HG SER 20 HG SER 20 -2.816 4.538 16.747
466 H2 ZBR 100 HA3 TBS 100 -1.886 0.050 -1.288
467 H4 ZBR 100 HC3 TBS 100 0.985 0.304 1.942
468 H6 ZBR 100 HB3 TBS 100 2.247 -1.040 -1.983
469 H7 ZBR 100 HB11 TBS 100 -1.065 -0.182 -3.509
470 H7A ZBR 100 HB12 TBS 100 -0.550 -1.854 -3.304
471 H8 ZBR 100 HA11 TBS 100 -1.135 1.321 2.164
472 H8A ZBR 100 HA12 TBS 100 -2.088 -0.130 1.862
473 H9 ZBR 100 HC11 TBS 100 3.866 -0.452 -0.333
474 H9A ZBR 100 HC12 TBS 100 3.304 -1.568 0.911
Start of MODEL 10
1 H1 LYS 1 HN LYS 1 -7.370 5.171 16.882
2 HA LYS 1 HA LYS 1 -9.498 5.711 15.037
3 HB2 LYS 1 HB2 LYS 1 -8.632 7.105 17.577
4 HB3 LYS 1 HB1 LYS 1 -10.090 7.508 16.672
5 HG2 LYS 1 HG2 LYS 1 -10.907 5.193 16.951
6 HG3 LYS 1 HG1 LYS 1 -9.452 4.796 17.867
7 HD2 LYS 1 HD2 LYS 1 -10.040 6.496 19.554
8 HD3 LYS 1 HD1 LYS 1 -11.495 6.898 18.642
9 HE2 LYS 1 HE2 LYS 1 -12.325 4.599 18.928
10 HE3 LYS 1 HE1 LYS 1 -10.867 4.176 19.825
11 HZ1 LYS 1 HZ1 LYS 1 -12.342 4.693 21.493
12 HZ2 LYS 1 HZ2 LYS 1 -13.086 5.942 20.613
13 HZ3 LYS 1 HZ3 LYS 1 -11.544 6.176 21.287
14 H ASN 2 HN ASN 2 -6.460 6.334 14.557
15 HA ASN 2 HA ASN 2 -6.187 9.080 14.268
16 HB2 ASN 2 HB2 ASN 2 -4.305 8.582 12.794
17 HB3 ASN 2 HB1 ASN 2 -4.313 7.466 14.141
18 HD21 ASN 2 HD21 ASN 2 -3.119 6.967 11.484
19 HD22 ASN 2 HD22 ASN 2 -3.942 5.632 10.839
20 HA PRO 3 HA PRO 3 -8.782 10.030 10.811
21 HB2 PRO 3 HB2 PRO 3 -7.420 12.181 9.745
22 HB3 PRO 3 HB1 PRO 3 -8.396 12.268 11.224
23 HG2 PRO 3 HG2 PRO 3 -5.434 11.982 10.926
24 HG3 PRO 3 HG1 PRO 3 -6.363 12.980 12.062
25 HD2 PRO 3 HD2 PRO 3 -5.251 10.632 12.788
26 HD3 PRO 3 HD1 PRO 3 -6.772 11.206 13.498
27 H GLU 4 HN GLU 4 -5.406 9.369 10.324
28 HA GLU 4 HA GLU 4 -5.344 9.345 7.502
29 HB2 GLU 4 HB2 GLU 4 -3.666 7.896 9.562
30 HB3 GLU 4 HB1 GLU 4 -3.331 7.853 7.833
31 HG2 GLU 4 HG2 GLU 4 -1.988 9.636 8.552
32 HG3 GLU 4 HG1 GLU 4 -3.426 10.473 7.989
33 H ALA 5 HN ALA 5 -6.910 7.326 9.694
34 HA ALA 5 HA ALA 5 -6.721 4.804 8.498
35 HB1 ALA 5 HB1 ALA 5 -8.958 4.389 9.554
36 HB2 ALA 5 HB2 ALA 5 -9.015 6.098 9.990
37 HB3 ALA 5 HB3 ALA 5 -7.762 5.057 10.665
38 H GLU 6 HN GLU 6 -8.606 7.638 7.636
39 HA GLU 6 HA GLU 6 -10.444 6.418 5.874
40 HB2 GLU 6 HB2 GLU 6 -9.261 9.200 5.944
41 HB3 GLU 6 HB1 GLU 6 -10.541 8.721 4.828
42 HG2 GLU 6 HG2 GLU 6 -11.992 8.118 6.698
43 HG3 GLU 6 HG1 GLU 6 -10.706 8.488 7.846
44 H GLU 7 HN GLU 7 -7.167 7.666 5.382
45 HA GLU 7 HA GLU 7 -7.104 7.335 2.579
46 HB2 GLU 7 HB2 GLU 7 -5.486 8.715 3.926
47 HB3 GLU 7 HB1 GLU 7 -4.745 7.201 4.447
48 HG2 GLU 7 HG2 GLU 7 -3.515 8.060 2.529
49 HG3 GLU 7 HG1 GLU 7 -4.376 6.597 2.052
50 H ILE 8 HN ILE 8 -6.417 5.208 5.272
51 HA ILE 8 HA ILE 8 -5.179 3.085 3.841
52 HB ILE 8 HB ILE 8 -6.962 2.889 6.290
53 HG12 ILE 8 HG12 ILE 8 -5.188 4.542 6.638
54 HG13 ILE 8 HG11 ILE 8 -4.816 3.081 7.546
55 HG21 ILE 8 HG21 ILE 8 -4.895 1.091 5.010
56 HG22 ILE 8 HG22 ILE 8 -6.551 0.695 5.468
57 HG23 ILE 8 HG23 ILE 8 -5.327 0.939 6.703
58 HD11 ILE 8 HD11 ILE 8 -2.768 3.509 6.519
59 HD12 ILE 8 HD12 ILE 8 -3.516 4.152 5.064
60 HD13 ILE 8 HD13 ILE 8 -3.486 2.417 5.342
61 H THR 9 HN THR 9 -8.571 3.867 4.472
62 HA THR 9 HA THR 9 -9.728 1.505 3.433
63 HB THR 9 HB THR 9 -10.798 4.338 3.416
64 HG1 THR 9 HG1 THR 9 -10.906 2.177 5.228
65 HG21 THR 9 HG21 THR 9 -13.013 3.008 3.408
66 HG22 THR 9 HG22 THR 9 -12.043 1.650 2.836
67 HG23 THR 9 HG23 THR 9 -12.133 3.134 1.885
68 H ARG 10 HN ARG 10 -8.726 4.539 1.877
69 HA ARG 10 HA ARG 10 -9.691 3.951 -0.732
70 HB2 ARG 10 HB2 ARG 10 -7.431 5.686 0.269
71 HB3 ARG 10 HB1 ARG 10 -7.860 5.579 -1.436
72 HG2 ARG 10 HG2 ARG 10 -10.073 6.408 -1.017
73 HG3 ARG 10 HG1 ARG 10 -9.852 6.280 0.729
74 HD2 ARG 10 HD2 ARG 10 -9.593 8.615 -0.124
75 HD3 ARG 10 HD1 ARG 10 -8.164 8.020 0.694
76 HE ARG 10 HE ARG 10 -7.014 8.018 -1.343
77 HH11 ARG 10 HH11 ARG 10 -6.836 8.649 -3.516
78 HH12 ARG 10 HH12 ARG 10 -8.249 9.113 -4.403
79 HH21 ARG 10 HH21 ARG 10 -10.409 8.604 -1.739
80 HH22 ARG 10 HH22 ARG 10 -10.274 9.087 -3.395
81 H CYS 11 HN CYS 11 -6.638 3.205 0.911
82 HA CYS 11 HA CYS 11 -5.179 2.193 -1.249
83 HB2 CYS 11 HB2 CYS 11 -4.374 2.565 1.128
84 HB3 CYS 11 HB1 CYS 11 -5.149 1.039 1.543
85 H LYS 12 HN LYS 12 -7.489 0.583 0.912
86 HA LYS 12 HA LYS 12 -7.262 -2.009 -0.192
87 HB2 LYS 12 HB2 LYS 12 -9.555 -0.636 1.234
88 HB3 LYS 12 HB1 LYS 12 -9.536 -2.352 0.824
89 HG2 LYS 12 HG2 LYS 12 -7.472 -2.655 2.136
90 HG3 LYS 12 HG1 LYS 12 -7.479 -0.938 2.544
91 HD2 LYS 12 HD2 LYS 12 -9.695 -1.226 3.630
92 HD3 LYS 12 HD1 LYS 12 -9.621 -2.954 3.278
93 HE2 LYS 12 HE2 LYS 12 -7.605 -1.424 4.951
94 HE3 LYS 12 HE1 LYS 12 -8.876 -2.467 5.590
95 HZ1 LYS 12 HZ1 LYS 12 -7.915 -4.326 4.403
96 HZ2 LYS 12 HZ2 LYS 12 -6.756 -3.624 5.428
97 HZ3 LYS 12 HZ3 LYS 12 -6.706 -3.328 3.756
98 H LYS 13 HN LYS 13 -9.372 0.733 -0.975
99 HA LYS 13 HA LYS 13 -10.971 -0.578 -2.903
100 HB2 LYS 13 HB2 LYS 13 -11.563 1.599 -1.898
101 HB3 LYS 13 HB1 LYS 13 -10.221 2.349 -2.762
102 HG2 LYS 13 HG2 LYS 13 -11.216 1.710 -4.913
103 HG3 LYS 13 HG1 LYS 13 -12.538 0.896 -4.075
104 HD2 LYS 13 HD2 LYS 13 -13.224 3.034 -3.067
105 HD3 LYS 13 HD1 LYS 13 -11.890 3.853 -3.883
106 HE2 LYS 13 HE2 LYS 13 -13.957 4.163 -5.160
107 HE3 LYS 13 HE1 LYS 13 -12.835 3.155 -6.074
108 HZ1 LYS 13 HZ1 LYS 13 -14.975 2.151 -6.156
109 HZ2 LYS 13 HZ2 LYS 13 -15.160 2.247 -4.470
110 HZ3 LYS 13 HZ3 LYS 13 -14.006 1.196 -5.143
111 H LEU 14 HN LEU 14 -7.897 1.159 -3.135
112 HA LEU 14 HA LEU 14 -7.696 1.179 -5.945
113 HB2 LEU 14 HB2 LEU 14 -5.665 1.248 -3.711
114 HB3 LEU 14 HB1 LEU 14 -5.166 1.294 -5.402
115 HG LEU 14 HG LEU 14 -7.301 3.210 -4.455
116 HD11 LEU 14 HD11 LEU 14 -4.348 3.322 -3.851
117 HD12 LEU 14 HD12 LEU 14 -5.721 3.781 -2.844
118 HD13 LEU 14 HD13 LEU 14 -5.229 4.820 -4.172
119 HD21 LEU 14 HD21 LEU 14 -6.306 4.590 -6.251
120 HD22 LEU 14 HD22 LEU 14 -6.748 3.009 -6.879
121 HD23 LEU 14 HD23 LEU 14 -5.064 3.367 -6.510
122 H LEU 15 HN LEU 15 -6.642 -1.185 -3.531
123 HA LEU 15 HA LEU 15 -5.346 -2.935 -5.349
124 HB2 LEU 15 HB2 LEU 15 -6.602 -3.439 -2.643
125 HB3 LEU 15 HB1 LEU 15 -5.637 -4.622 -3.519
126 HG LEU 15 HG LEU 15 -4.650 -1.852 -2.784
127 HD11 LEU 15 HD11 LEU 15 -4.099 -4.516 -1.449
128 HD12 LEU 15 HD12 LEU 15 -5.073 -3.212 -0.766
129 HD13 LEU 15 HD13 LEU 15 -3.344 -2.979 -1.030
130 HD21 LEU 15 HD21 LEU 15 -3.455 -4.247 -4.169
131 HD22 LEU 15 HD22 LEU 15 -2.410 -3.237 -3.175
132 HD23 LEU 15 HD23 LEU 15 -3.270 -2.533 -4.532
133 H ASP 16 HN ASP 16 -8.653 -2.740 -4.153
134 HA ASP 16 HA ASP 16 -9.613 -5.132 -5.313
135 HB2 ASP 16 HB2 ASP 16 -10.986 -2.558 -4.537
136 HB3 ASP 16 HB1 ASP 16 -11.860 -3.953 -5.167
137 H ASP 17 HN ASP 17 -9.253 -1.858 -6.552
138 HA ASP 17 HA ASP 17 -10.702 -2.194 -8.956
139 HB2 ASP 17 HB2 ASP 17 -8.478 -0.307 -8.182
140 HB3 ASP 17 HB1 ASP 17 -9.298 -0.238 -9.742
141 H SER 18 HN SER 18 -7.849 -3.617 -7.927
142 HA SER 18 HA SER 18 -6.244 -3.677 -10.191
143 HB2 SER 18 HB2 SER 18 -5.562 -4.559 -7.978
144 HB3 SER 18 HB1 SER 18 -6.671 -5.902 -8.197
145 HG SER 18 HG SER 18 -5.403 -6.724 -9.728
146 H SER 19 HN SER 19 -9.110 -5.469 -9.417
147 HA SER 19 HA SER 19 -8.857 -7.297 -11.634
148 HB2 SER 19 HB2 SER 19 -11.043 -8.116 -10.982
149 HB3 SER 19 HB1 SER 19 -10.074 -7.881 -9.530
150 HG SER 19 HG SER 19 -12.325 -6.554 -10.418
151 H SER 20 HN SER 20 -9.857 -4.118 -11.283
152 HA SER 20 HA SER 20 -11.790 -4.096 -13.447
153 HB2 SER 20 HB2 SER 20 -10.446 -1.761 -12.077
154 HB3 SER 20 HB1 SER 20 -11.861 -1.693 -13.116
155 HG SER 20 HG SER 20 -11.592 -2.968 -10.595
156 H1 LYS 1 HN LYS 1 -11.489 -3.106 -15.474
157 HA LYS 1 HA LYS 1 -8.883 -3.493 -16.610
158 HB2 LYS 1 HB2 LYS 1 -11.440 -2.365 -17.763
159 HB3 LYS 1 HB1 LYS 1 -9.973 -2.649 -18.702
160 HG2 LYS 1 HG2 LYS 1 -10.041 -5.040 -18.080
161 HG3 LYS 1 HG1 LYS 1 -11.516 -4.754 -17.157
162 HD2 LYS 1 HD2 LYS 1 -12.659 -3.999 -19.212
163 HD3 LYS 1 HD1 LYS 1 -11.185 -4.294 -20.136
164 HE2 LYS 1 HE2 LYS 1 -11.267 -6.679 -19.524
165 HE3 LYS 1 HE1 LYS 1 -12.734 -6.392 -18.588
166 HZ1 LYS 1 HZ1 LYS 1 -13.544 -7.106 -20.610
167 HZ2 LYS 1 HZ2 LYS 1 -12.350 -6.296 -21.507
168 HZ3 LYS 1 HZ3 LYS 1 -13.613 -5.421 -20.783
169 H ASN 2 HN ASN 2 -9.694 -1.228 -14.593
170 HA ASN 2 HA ASN 2 -9.335 1.212 -15.864
171 HB2 ASN 2 HB2 ASN 2 -8.844 2.118 -13.648
172 HB3 ASN 2 HB1 ASN 2 -10.148 0.958 -13.542
173 HD21 ASN 2 HD21 ASN 2 -8.313 1.693 -11.348
174 HD22 ASN 2 HD22 ASN 2 -7.493 0.272 -10.921
175 HA PRO 3 HA PRO 3 -5.041 1.224 -16.929
176 HB2 PRO 3 HB2 PRO 3 -4.498 3.926 -16.764
177 HB3 PRO 3 HB1 PRO 3 -5.405 3.184 -18.095
178 HG2 PRO 3 HG2 PRO 3 -6.426 4.620 -15.680
179 HG3 PRO 3 HG1 PRO 3 -6.974 4.716 -17.365
180 HD2 PRO 3 HD2 PRO 3 -8.290 3.269 -15.511
181 HD3 PRO 3 HD1 PRO 3 -8.226 2.771 -17.213
182 H GLU 4 HN GLU 4 -6.099 2.613 -13.927
183 HA GLU 4 HA GLU 4 -3.587 3.161 -12.762
184 HB2 GLU 4 HB2 GLU 4 -6.272 2.505 -11.533
185 HB3 GLU 4 HB1 GLU 4 -4.862 2.976 -10.589
186 HG2 GLU 4 HG2 GLU 4 -5.940 5.032 -10.920
187 HG3 GLU 4 HG1 GLU 4 -4.755 5.036 -12.215
188 H ALA 5 HN ALA 5 -5.049 0.245 -13.598
189 HA ALA 5 HA ALA 5 -4.249 -1.488 -11.551
190 HB1 ALA 5 HB1 ALA 5 -4.287 -3.246 -13.334
191 HB2 ALA 5 HB2 ALA 5 -4.503 -1.968 -14.530
192 HB3 ALA 5 HB3 ALA 5 -5.739 -2.247 -13.303
193 H GLU 6 HN GLU 6 -2.449 -0.043 -14.199
194 HA GLU 6 HA GLU 6 -0.171 -1.709 -14.139
195 HB2 GLU 6 HB2 GLU 6 -0.525 1.195 -14.901
196 HB3 GLU 6 HB1 GLU 6 0.991 0.318 -15.114
197 HG2 GLU 6 HG2 GLU 6 -0.113 -1.315 -16.553
198 HG3 GLU 6 HG1 GLU 6 -1.673 -0.542 -16.278
199 H GLU 7 HN GLU 7 -1.032 1.185 -12.290
200 HA GLU 7 HA GLU 7 1.443 1.479 -10.961
201 HB2 GLU 7 HB2 GLU 7 -0.362 3.230 -11.107
202 HB3 GLU 7 HB1 GLU 7 -1.258 2.299 -9.906
203 HG2 GLU 7 HG2 GLU 7 0.014 4.035 -8.766
204 HG3 GLU 7 HG1 GLU 7 0.702 2.462 -8.366
205 H ILE 8 HN ILE 8 -1.444 -0.391 -10.299
206 HA ILE 8 HA ILE 8 -0.840 -1.191 -7.635
207 HB ILE 8 HB ILE 8 -2.309 -2.776 -9.769
208 HG12 ILE 8 HG12 ILE 8 -3.241 -0.515 -9.556
209 HG13 ILE 8 HG11 ILE 8 -4.337 -1.682 -8.823
210 HG21 ILE 8 HG21 ILE 8 -2.156 -2.891 -6.752
211 HG22 ILE 8 HG22 ILE 8 -1.924 -4.200 -7.909
212 HG23 ILE 8 HG23 ILE 8 -3.532 -3.549 -7.624
213 HD11 ILE 8 HD11 ILE 8 -4.256 -0.038 -7.174
214 HD12 ILE 8 HD12 ILE 8 -2.573 0.352 -7.500
215 HD13 ILE 8 HD13 ILE 8 -2.980 -1.108 -6.611
216 H THR 9 HN THR 9 0.099 -2.495 -10.788
217 HA THR 9 HA THR 9 1.348 -4.868 -9.887
218 HB THR 9 HB THR 9 2.016 -3.122 -12.268
219 HG1 THR 9 HG1 THR 9 0.271 -5.286 -11.799
220 HG21 THR 9 HG21 THR 9 2.898 -5.381 -13.122
221 HG22 THR 9 HG22 THR 9 2.875 -5.894 -11.436
222 HG23 THR 9 HG23 THR 9 3.886 -4.536 -11.933
223 H ARG 10 HN ARG 10 2.550 -1.546 -10.281
224 HA ARG 10 HA ARG 10 5.269 -2.061 -9.632
225 HB2 ARG 10 HB2 ARG 10 3.535 0.398 -9.381
226 HB3 ARG 10 HB1 ARG 10 5.245 0.400 -8.956
227 HG2 ARG 10 HG2 ARG 10 5.882 -0.208 -11.191
228 HG3 ARG 10 HG1 ARG 10 4.205 -0.516 -11.646
229 HD2 ARG 10 HD2 ARG 10 5.053 1.693 -12.453
230 HD3 ARG 10 HD1 ARG 10 3.655 1.834 -11.403
231 HE ARG 10 HE ARG 10 5.002 2.833 -9.771
232 HH11 ARG 10 HH11 ARG 10 6.933 3.848 -9.146
233 HH12 ARG 10 HH12 ARG 10 8.373 3.622 -10.082
234 HH21 ARG 10 HH21 ARG 10 6.854 1.537 -12.400
235 HH22 ARG 10 HH22 ARG 10 8.328 2.313 -11.926
236 H CYS 11 HN CYS 11 2.429 -1.342 -7.638
237 HA CYS 11 HA CYS 11 3.678 -0.967 -5.162
238 HB2 CYS 11 HB2 CYS 11 1.235 -0.645 -5.709
239 HB3 CYS 11 HB1 CYS 11 1.050 -2.391 -5.582
240 H LYS 12 HN LYS 12 2.605 -3.959 -6.751
241 HA LYS 12 HA LYS 12 3.292 -5.731 -4.650
242 HB2 LYS 12 HB2 LYS 12 3.096 -6.154 -7.643
243 HB3 LYS 12 HB1 LYS 12 3.321 -7.457 -6.475
244 HG2 LYS 12 HG2 LYS 12 1.234 -6.839 -5.344
245 HG3 LYS 12 HG1 LYS 12 1.009 -5.496 -6.466
246 HD2 LYS 12 HD2 LYS 12 0.949 -7.114 -8.353
247 HD3 LYS 12 HD1 LYS 12 1.090 -8.439 -7.196
248 HE2 LYS 12 HE2 LYS 12 -1.145 -6.388 -7.232
249 HE3 LYS 12 HE1 LYS 12 -1.271 -8.038 -7.842
250 HZ1 LYS 12 HZ1 LYS 12 -0.750 -8.859 -5.634
251 HZ2 LYS 12 HZ2 LYS 12 -2.122 -7.858 -5.590
252 HZ3 LYS 12 HZ3 LYS 12 -0.622 -7.273 -5.048
253 H LYS 13 HN LYS 13 5.110 -4.491 -7.433
254 HA LYS 13 HA LYS 13 7.431 -6.070 -7.086
255 HB2 LYS 13 HB2 LYS 13 6.937 -4.806 -9.150
256 HB3 LYS 13 HB1 LYS 13 7.210 -3.299 -8.276
257 HG2 LYS 13 HG2 LYS 13 9.525 -3.980 -7.790
258 HG3 LYS 13 HG1 LYS 13 9.256 -5.510 -8.624
259 HD2 LYS 13 HD2 LYS 13 8.815 -4.308 -10.720
260 HD3 LYS 13 HD1 LYS 13 9.037 -2.766 -9.893
261 HE2 LYS 13 HE2 LYS 13 11.098 -3.384 -11.066
262 HE3 LYS 13 HE1 LYS 13 11.362 -3.429 -9.324
263 HZ1 LYS 13 HZ1 LYS 13 12.284 -5.391 -10.276
264 HZ2 LYS 13 HZ2 LYS 13 10.849 -5.737 -11.116
265 HZ3 LYS 13 HZ3 LYS 13 10.891 -5.844 -9.420
266 H LEU 14 HN LEU 14 6.458 -2.928 -5.777
267 HA LEU 14 HA LEU 14 8.905 -2.270 -4.540
268 HB2 LEU 14 HB2 LEU 14 6.029 -1.530 -3.996
269 HB3 LEU 14 HB1 LEU 14 7.338 -0.901 -2.995
270 HG LEU 14 HG LEU 14 7.543 -0.675 -6.001
271 HD11 LEU 14 HD11 LEU 14 5.760 0.915 -4.161
272 HD12 LEU 14 HD12 LEU 14 5.468 0.362 -5.808
273 HD13 LEU 14 HD13 LEU 14 6.544 1.722 -5.523
274 HD21 LEU 14 HD21 LEU 14 8.854 1.327 -5.367
275 HD22 LEU 14 HD22 LEU 14 9.486 -0.096 -4.550
276 HD23 LEU 14 HD23 LEU 14 8.472 1.045 -3.670
277 H LEU 15 HN LEU 15 6.088 -4.074 -3.377
278 HA LEU 15 HA LEU 15 7.033 -4.466 -0.731
279 HB2 LEU 15 HB2 LEU 15 5.089 -6.052 -2.420
280 HB3 LEU 15 HB1 LEU 15 5.378 -6.356 -0.710
281 HG LEU 15 HG LEU 15 4.515 -3.671 -1.822
282 HD11 LEU 15 HD11 LEU 15 2.850 -5.788 -0.436
283 HD12 LEU 15 HD12 LEU 15 2.780 -5.419 -2.161
284 HD13 LEU 15 HD13 LEU 15 2.286 -4.207 -0.976
285 HD21 LEU 15 HD21 LEU 15 5.081 -4.765 0.926
286 HD22 LEU 15 HD22 LEU 15 3.801 -3.570 0.749
287 HD23 LEU 15 HD23 LEU 15 5.437 -3.176 0.253
288 H ASP 16 HN ASP 16 7.384 -6.324 -3.707
289 HA ASP 16 HA ASP 16 8.649 -8.589 -2.586
290 HB2 ASP 16 HB2 ASP 16 8.734 -7.375 -5.347
291 HB3 ASP 16 HB1 ASP 16 9.563 -8.876 -4.938
292 H ASP 17 HN ASP 17 9.880 -5.495 -3.729
293 HA ASP 17 HA ASP 17 12.635 -6.117 -3.633
294 HB2 ASP 17 HB2 ASP 17 11.149 -3.499 -3.422
295 HB3 ASP 17 HB1 ASP 17 12.907 -3.607 -3.443
296 H SER 18 HN SER 18 10.373 -5.904 -1.171
297 HA SER 18 HA SER 18 11.716 -4.646 0.908
298 HB2 SER 18 HB2 SER 18 9.362 -5.410 1.036
299 HB3 SER 18 HB1 SER 18 9.930 -7.071 1.092
300 HG SER 18 HG SER 18 10.753 -6.736 3.069
301 H SER 19 HN SER 19 12.106 -7.822 -0.429
302 HA SER 19 HA SER 19 13.844 -8.762 1.669
303 HB2 SER 19 HB2 SER 19 14.131 -10.744 0.310
304 HB3 SER 19 HB1 SER 19 12.429 -10.292 0.278
305 HG SER 19 HG SER 19 14.327 -10.275 -1.726
306 H SER 20 HN SER 20 14.212 -6.783 -1.016
307 HA SER 20 HA SER 20 16.989 -7.405 -1.565
308 HB2 SER 20 HB2 SER 20 15.373 -5.011 -2.453
309 HB3 SER 20 HB1 SER 20 16.916 -5.536 -3.109
310 HG SER 20 HG SER 20 14.456 -6.959 -3.139
311 H1 LYS 1 HN LYS 1 18.766 -6.059 -1.112
312 HA LYS 1 HA LYS 1 18.650 -4.767 1.445
313 HB2 LYS 1 HB2 LYS 1 20.871 -5.001 -0.593
314 HB3 LYS 1 HB1 LYS 1 21.065 -4.287 1.008
315 HG2 LYS 1 HG2 LYS 1 20.345 -6.407 2.046
316 HG3 LYS 1 HG1 LYS 1 20.153 -7.124 0.447
317 HD2 LYS 1 HD2 LYS 1 22.550 -6.756 -0.011
318 HD3 LYS 1 HD1 LYS 1 22.745 -6.045 1.592
319 HE2 LYS 1 HE2 LYS 1 22.035 -8.163 2.629
320 HE3 LYS 1 HE1 LYS 1 21.822 -8.879 1.031
321 HZ1 LYS 1 HZ1 LYS 1 23.933 -9.552 1.592
322 HZ2 LYS 1 HZ2 LYS 1 24.307 -8.107 2.403
323 HZ3 LYS 1 HZ3 LYS 1 24.261 -8.143 0.706
324 H ASN 2 HN ASN 2 17.352 -3.700 -1.203
325 HA ASN 2 HA ASN 2 18.541 -1.267 -1.814
326 HB2 ASN 2 HB2 ASN 2 16.407 -0.658 -2.834
327 HB3 ASN 2 HB1 ASN 2 16.764 -2.338 -3.168
328 HD21 ASN 2 HD21 ASN 2 14.071 -1.128 -3.104
329 HD22 ASN 2 HD22 ASN 2 13.224 -1.924 -1.870
330 HA PRO 3 HA PRO 3 17.678 1.235 1.734
331 HB2 PRO 3 HB2 PRO 3 17.517 3.726 0.557
332 HB3 PRO 3 HB1 PRO 3 19.043 2.863 0.828
333 HG2 PRO 3 HG2 PRO 3 17.408 3.073 -1.667
334 HG3 PRO 3 HG1 PRO 3 19.169 3.158 -1.461
335 HD2 PRO 3 HD2 PRO 3 17.936 0.929 -2.339
336 HD3 PRO 3 HD1 PRO 3 19.407 0.855 -1.349
337 H GLU 4 HN GLU 4 15.530 1.268 -0.993
338 HA GLU 4 HA GLU 4 13.460 2.864 0.078
339 HB2 GLU 4 HB2 GLU 4 13.437 0.670 -2.003
340 HB3 GLU 4 HB1 GLU 4 12.025 1.647 -1.607
341 HG2 GLU 4 HG2 GLU 4 12.938 2.836 -3.407
342 HG3 GLU 4 HG1 GLU 4 13.629 3.691 -2.037
343 H ALA 5 HN ALA 5 14.590 -0.183 0.959
344 HA ALA 5 HA ALA 5 12.260 -1.543 1.702
345 HB1 ALA 5 HB1 ALA 5 13.742 -2.700 3.363
346 HB2 ALA 5 HB2 ALA 5 15.021 -1.559 2.944
347 HB3 ALA 5 HB3 ALA 5 14.398 -2.672 1.726
348 H GLU 6 HN GLU 6 14.008 1.076 3.255
349 HA GLU 6 HA GLU 6 12.854 0.910 5.827
350 HB2 GLU 6 HB2 GLU 6 13.929 3.253 4.247
351 HB3 GLU 6 HB1 GLU 6 13.408 3.379 5.927
352 HG2 GLU 6 HG2 GLU 6 15.039 1.690 6.596
353 HG3 GLU 6 HG1 GLU 6 15.519 1.451 4.916
354 H GLU 7 HN GLU 7 11.791 2.521 2.857
355 HA GLU 7 HA GLU 7 9.568 3.849 3.979
356 HB2 GLU 7 HB2 GLU 7 10.606 4.370 1.747
357 HB3 GLU 7 HB1 GLU 7 9.836 2.907 1.130
358 HG2 GLU 7 HG2 GLU 7 8.407 4.822 0.646
359 HG3 GLU 7 HG1 GLU 7 7.623 3.803 1.852
360 H ILE 8 HN ILE 8 10.037 0.647 2.645
361 HA ILE 8 HA ILE 8 7.311 -0.158 2.481
362 HB ILE 8 HB ILE 8 9.732 -1.874 3.120
363 HG12 ILE 8 HG12 ILE 8 10.104 -0.548 1.089
364 HG13 ILE 8 HG11 ILE 8 9.809 -2.229 0.657
365 HG21 ILE 8 HG21 ILE 8 6.936 -2.432 2.117
366 HG22 ILE 8 HG22 ILE 8 7.769 -3.164 3.488
367 HG23 ILE 8 HG23 ILE 8 8.257 -3.560 1.845
368 HD11 ILE 8 HD11 ILE 8 8.408 -1.125 -0.842
369 HD12 ILE 8 HD12 ILE 8 8.027 0.157 0.299
370 HD13 ILE 8 HD13 ILE 8 7.283 -1.425 0.475
371 H THR 9 HN THR 9 9.647 -0.184 5.137
372 HA THR 9 HA THR 9 8.108 -1.641 7.009
373 HB THR 9 HB THR 9 10.114 0.578 7.470
374 HG1 THR 9 HG1 THR 9 10.255 -2.229 7.232
375 HG21 THR 9 HG21 THR 9 10.317 -0.681 9.710
376 HG22 THR 9 HG22 THR 9 8.753 -1.389 9.311
377 HG23 THR 9 HG23 THR 9 8.911 0.360 9.494
378 H ARG 10 HN ARG 10 8.221 1.818 6.203
379 HA ARG 10 HA ARG 10 6.437 2.724 8.224
380 HB2 ARG 10 HB2 ARG 10 7.143 3.787 5.486
381 HB3 ARG 10 HB1 ARG 10 6.032 4.625 6.566
382 HG2 ARG 10 HG2 ARG 10 7.725 4.870 8.249
383 HG3 ARG 10 HG1 ARG 10 8.824 3.797 7.381
384 HD2 ARG 10 HD2 ARG 10 9.376 6.212 7.074
385 HD3 ARG 10 HD1 ARG 10 9.026 5.394 5.565
386 HE ARG 10 HE ARG 10 7.064 6.652 5.354
387 HH11 ARG 10 HH11 ARG 10 5.774 8.423 5.953
388 HH12 ARG 10 HH12 ARG 10 6.004 9.179 7.493
389 HH21 ARG 10 HH21 ARG 10 8.567 7.051 8.453
390 HH22 ARG 10 HH22 ARG 10 7.586 8.402 8.910
391 H CYS 11 HN CYS 11 5.901 1.468 4.950
392 HA CYS 11 HA CYS 11 3.166 1.993 4.683
393 HB2 CYS 11 HB2 CYS 11 4.721 1.052 2.933
394 HB3 CYS 11 HB1 CYS 11 4.557 -0.512 3.727
395 H LYS 12 HN LYS 12 4.820 -0.774 6.186
396 HA LYS 12 HA LYS 12 2.494 -2.244 6.857
397 HB2 LYS 12 HB2 LYS 12 5.248 -2.163 8.113
398 HB3 LYS 12 HB1 LYS 12 3.996 -3.321 8.566
399 HG2 LYS 12 HG2 LYS 12 3.889 -4.143 6.258
400 HG3 LYS 12 HG1 LYS 12 5.108 -2.964 5.768
401 HD2 LYS 12 HD2 LYS 12 6.705 -3.994 7.378
402 HD3 LYS 12 HD1 LYS 12 5.491 -5.217 7.763
403 HE2 LYS 12 HE2 LYS 12 6.657 -4.711 5.008
404 HE3 LYS 12 HE1 LYS 12 7.099 -6.046 6.074
405 HZ1 LYS 12 HZ1 LYS 12 4.821 -6.818 6.012
406 HZ2 LYS 12 HZ2 LYS 12 5.446 -6.710 4.436
407 HZ3 LYS 12 HZ3 LYS 12 4.376 -5.523 5.012
408 H LYS 13 HN LYS 13 4.329 0.250 8.586
409 HA LYS 13 HA LYS 13 2.902 0.128 11.027
410 HB2 LYS 13 HB2 LYS 13 5.075 1.286 10.762
411 HB3 LYS 13 HB1 LYS 13 4.277 2.516 9.780
412 HG2 LYS 13 HG2 LYS 13 2.814 3.108 11.658
413 HG3 LYS 13 HG1 LYS 13 3.546 1.841 12.644
414 HD2 LYS 13 HD2 LYS 13 5.728 2.959 12.487
415 HD3 LYS 13 HD1 LYS 13 5.023 4.213 11.467
416 HE2 LYS 13 HE2 LYS 13 5.156 5.001 13.784
417 HE3 LYS 13 HE1 LYS 13 3.468 4.809 13.310
418 HZ1 LYS 13 HZ1 LYS 13 3.752 3.834 15.445
419 HZ2 LYS 13 HZ2 LYS 13 5.101 2.936 14.932
420 HZ3 LYS 13 HZ3 LYS 13 3.553 2.567 14.336
421 H LEU 14 HN LEU 14 2.391 1.970 8.043
422 HA LEU 14 HA LEU 14 0.285 3.600 8.970
423 HB2 LEU 14 HB2 LEU 14 1.083 2.571 6.246
424 HB3 LEU 14 HB1 LEU 14 -0.329 3.607 6.449
425 HG LEU 14 HG LEU 14 2.293 4.463 7.677
426 HD11 LEU 14 HD11 LEU 14 1.572 4.450 4.749
427 HD12 LEU 14 HD12 LEU 14 3.127 4.156 5.527
428 HD13 LEU 14 HD13 LEU 14 2.509 5.796 5.406
429 HD21 LEU 14 HD21 LEU 14 1.324 6.692 7.239
430 HD22 LEU 14 HD22 LEU 14 0.177 5.708 8.140
431 HD23 LEU 14 HD23 LEU 14 -0.040 5.944 6.406
432 H LEU 15 HN LEU 15 0.284 0.394 7.460
433 HA LEU 15 HA LEU 15 -2.534 0.110 7.320
434 HB2 LEU 15 HB2 LEU 15 -0.320 -1.948 7.467
435 HB3 LEU 15 HB1 LEU 15 -2.009 -2.339 7.158
436 HG LEU 15 HG LEU 15 -0.394 -0.396 5.483
437 HD11 LEU 15 HD11 LEU 15 -1.116 -3.282 4.914
438 HD12 LEU 15 HD12 LEU 15 0.501 -2.700 5.318
439 HD13 LEU 15 HD13 LEU 15 -0.273 -2.190 3.816
440 HD21 LEU 15 HD21 LEU 15 -3.209 -1.462 5.398
441 HD22 LEU 15 HD22 LEU 15 -2.392 -1.134 3.874
442 HD23 LEU 15 HD23 LEU 15 -2.609 0.156 5.044
443 H ASP 16 HN ASP 16 -0.160 -0.713 9.795
444 HA ASP 16 HA ASP 16 -1.903 -2.099 11.536
445 HB2 ASP 16 HB2 ASP 16 0.653 -0.568 12.017
446 HB3 ASP 16 HB1 ASP 16 -0.197 -1.433 13.297
447 H ASP 17 HN ASP 17 -1.138 1.315 11.154
448 HA ASP 17 HA ASP 17 -2.443 2.270 13.471
449 HB2 ASP 17 HB2 ASP 17 -1.797 3.582 10.829
450 HB3 ASP 17 HB1 ASP 17 -2.533 4.446 12.178
451 H SER 18 HN SER 18 -3.691 0.778 10.743
452 HA SER 18 HA SER 18 -6.033 2.163 10.200
453 HB2 SER 18 HB2 SER 18 -5.219 0.265 8.855
454 HB3 SER 18 HB1 SER 18 -5.620 -0.824 10.169
455 HG SER 18 HG SER 18 -7.728 -0.497 9.820
456 H SER 19 HN SER 19 -5.252 0.002 12.792
457 HA SER 19 HA SER 19 -7.959 -0.225 13.749
458 HB2 SER 19 HB2 SER 19 -7.014 -1.449 15.614
459 HB3 SER 19 HB1 SER 19 -6.227 -1.991 14.134
460 HG SER 19 HG SER 19 -5.200 -0.686 16.303
461 H SER 20 HN SER 20 -5.550 2.097 13.968
462 HA SER 20 HA SER 20 -6.313 3.182 16.548
463 HB2 SER 20 HB2 SER 20 -4.603 4.435 14.394
464 HB3 SER 20 HB1 SER 20 -4.733 4.959 16.067
465 HG SER 20 HG SER 20 -3.739 2.481 15.095
466 H2 ZBR 100 HA3 TBS 100 -1.419 1.130 -2.089
467 H4 ZBR 100 HC3 TBS 100 0.365 1.803 1.789
468 H6 ZBR 100 HB3 TBS 100 2.782 0.332 -1.477
469 H7 ZBR 100 HB11 TBS 100 1.489 0.924 -3.891
470 H7A ZBR 100 HB12 TBS 100 -0.151 0.269 -3.848
471 H8 ZBR 100 HA11 TBS 100 -2.305 2.868 -0.063
472 H8A ZBR 100 HA12 TBS 100 -1.931 2.144 1.505
473 H9 ZBR 100 HC11 TBS 100 3.193 2.038 1.409
474 H9A ZBR 100 HC12 TBS 100 3.729 0.534 0.653
Start of MODEL 11
1 H1 LYS 1 HN LYS 1 -7.408 5.435 16.453
2 HA LYS 1 HA LYS 1 -9.579 5.783 14.547
3 HB2 LYS 1 HB2 LYS 1 -9.006 7.019 17.244
4 HB3 LYS 1 HB1 LYS 1 -10.420 7.411 16.266
5 HG2 LYS 1 HG2 LYS 1 -11.088 5.032 16.279
6 HG3 LYS 1 HG1 LYS 1 -9.680 4.646 17.270
7 HD2 LYS 1 HD2 LYS 1 -10.511 6.146 19.045
8 HD3 LYS 1 HD1 LYS 1 -11.920 6.534 18.056
9 HE2 LYS 1 HE2 LYS 1 -12.601 4.168 18.079
10 HE3 LYS 1 HE1 LYS 1 -11.186 3.764 19.051
11 HZ1 LYS 1 HZ1 LYS 1 -13.341 4.131 20.286
12 HZ2 LYS 1 HZ2 LYS 1 -13.174 5.780 19.914
13 HZ3 LYS 1 HZ3 LYS 1 -11.996 4.995 20.853
14 H ASN 2 HN ASN 2 -6.574 6.750 14.383
15 HA ASN 2 HA ASN 2 -6.652 9.552 14.207
16 HB2 ASN 2 HB2 ASN 2 -4.568 9.287 12.840
17 HB3 ASN 2 HB1 ASN 2 -4.533 8.378 14.342
18 HD21 ASN 2 HD21 ASN 2 -2.863 7.581 12.219
19 HD22 ASN 2 HD22 ASN 2 -3.439 6.122 11.571
20 HA PRO 3 HA PRO 3 -8.820 10.350 10.456
21 HB2 PRO 3 HB2 PRO 3 -7.311 12.448 9.450
22 HB3 PRO 3 HB1 PRO 3 -8.508 12.609 10.748
23 HG2 PRO 3 HG2 PRO 3 -5.538 12.347 10.932
24 HG3 PRO 3 HG1 PRO 3 -6.638 13.392 11.851
25 HD2 PRO 3 HD2 PRO 3 -5.647 11.141 12.908
26 HD3 PRO 3 HD1 PRO 3 -7.296 11.663 13.285
27 H GLU 4 HN GLU 4 -5.443 9.590 10.421
28 HA GLU 4 HA GLU 4 -5.013 9.474 7.624
29 HB2 GLU 4 HB2 GLU 4 -3.676 7.913 9.847
30 HB3 GLU 4 HB1 GLU 4 -3.073 8.062 8.195
31 HG2 GLU 4 HG2 GLU 4 -3.596 10.431 10.010
32 HG3 GLU 4 HG1 GLU 4 -2.016 9.671 9.821
33 H ALA 5 HN ALA 5 -6.939 7.597 9.657
34 HA ALA 5 HA ALA 5 -6.700 5.017 8.596
35 HB1 ALA 5 HB1 ALA 5 -9.329 6.219 9.444
36 HB2 ALA 5 HB2 ALA 5 -8.075 5.810 10.615
37 HB3 ALA 5 HB3 ALA 5 -8.781 4.550 9.603
38 H GLU 6 HN GLU 6 -8.114 7.898 7.281
39 HA GLU 6 HA GLU 6 -9.899 6.791 5.411
40 HB2 GLU 6 HB2 GLU 6 -8.256 9.332 5.344
41 HB3 GLU 6 HB1 GLU 6 -9.482 8.932 4.139
42 HG2 GLU 6 HG2 GLU 6 -11.198 8.810 5.875
43 HG3 GLU 6 HG1 GLU 6 -9.989 9.107 7.122
44 H GLU 7 HN GLU 7 -6.413 7.351 5.280
45 HA GLU 7 HA GLU 7 -6.052 6.744 2.538
46 HB2 GLU 7 HB2 GLU 7 -4.210 6.655 4.926
47 HB3 GLU 7 HB1 GLU 7 -3.662 6.228 3.304
48 HG2 GLU 7 HG2 GLU 7 -5.009 8.855 3.987
49 HG3 GLU 7 HG1 GLU 7 -3.261 8.639 3.915
50 H ILE 8 HN ILE 8 -6.140 4.755 5.441
51 HA ILE 8 HA ILE 8 -5.230 2.334 4.298
52 HB ILE 8 HB ILE 8 -6.969 2.996 6.666
53 HG12 ILE 8 HG12 ILE 8 -5.048 2.148 7.899
54 HG13 ILE 8 HG11 ILE 8 -4.278 1.632 6.400
55 HG21 ILE 8 HG21 ILE 8 -7.911 0.924 6.008
56 HG22 ILE 8 HG22 ILE 8 -6.689 0.489 7.191
57 HG23 ILE 8 HG23 ILE 8 -6.351 0.294 5.476
58 HD11 ILE 8 HD11 ILE 8 -3.924 3.863 5.680
59 HD12 ILE 8 HD12 ILE 8 -3.501 3.876 7.392
60 HD13 ILE 8 HD13 ILE 8 -5.058 4.511 6.868
61 H THR 9 HN THR 9 -8.499 3.695 4.649
62 HA THR 9 HA THR 9 -9.922 1.539 3.513
63 HB THR 9 HB THR 9 -10.563 4.498 3.481
64 HG1 THR 9 HG1 THR 9 -11.244 2.367 5.222
65 HG21 THR 9 HG21 THR 9 -11.933 3.442 1.836
66 HG22 THR 9 HG22 THR 9 -12.934 3.571 3.284
67 HG23 THR 9 HG23 THR 9 -12.191 2.028 2.860
68 H ARG 10 HN ARG 10 -8.418 4.407 2.059
69 HA ARG 10 HA ARG 10 -9.284 3.972 -0.599
70 HB2 ARG 10 HB2 ARG 10 -8.205 6.072 0.333
71 HB3 ARG 10 HB1 ARG 10 -6.658 5.229 0.224
72 HG2 ARG 10 HG2 ARG 10 -7.276 4.775 -2.231
73 HG3 ARG 10 HG1 ARG 10 -8.539 5.982 -2.018
74 HD2 ARG 10 HD2 ARG 10 -5.564 6.392 -1.627
75 HD3 ARG 10 HD1 ARG 10 -6.554 7.061 -2.921
76 HE ARG 10 HE ARG 10 -6.389 8.021 -0.193
77 HH11 ARG 10 HH11 ARG 10 -7.562 9.923 0.233
78 HH12 ARG 10 HH12 ARG 10 -8.738 10.481 -0.910
79 HH21 ARG 10 HH21 ARG 10 -8.212 7.868 -3.128
80 HH22 ARG 10 HH22 ARG 10 -9.106 9.318 -2.812
81 H CYS 11 HN CYS 11 -6.456 2.833 1.216
82 HA CYS 11 HA CYS 11 -4.992 1.673 -0.849
83 HB2 CYS 11 HB2 CYS 11 -4.424 1.899 1.665
84 HB3 CYS 11 HB1 CYS 11 -5.265 0.361 1.848
85 H LYS 12 HN LYS 12 -7.562 0.234 1.153
86 HA LYS 12 HA LYS 12 -7.549 -2.306 -0.073
87 HB2 LYS 12 HB2 LYS 12 -8.676 -1.805 2.079
88 HB3 LYS 12 HB1 LYS 12 -9.885 -0.866 1.202
89 HG2 LYS 12 HG2 LYS 12 -10.532 -2.861 -0.083
90 HG3 LYS 12 HG1 LYS 12 -9.299 -3.806 0.753
91 HD2 LYS 12 HD2 LYS 12 -10.422 -3.360 2.908
92 HD3 LYS 12 HD1 LYS 12 -11.660 -2.428 2.066
93 HE2 LYS 12 HE2 LYS 12 -12.293 -4.426 0.769
94 HE3 LYS 12 HE1 LYS 12 -11.049 -5.361 1.598
95 HZ1 LYS 12 HZ1 LYS 12 -12.990 -3.911 3.235
96 HZ2 LYS 12 HZ2 LYS 12 -12.219 -5.398 3.526
97 HZ3 LYS 12 HZ3 LYS 12 -13.523 -5.311 2.440
98 H LYS 13 HN LYS 13 -9.402 0.637 -0.778
99 HA LYS 13 HA LYS 13 -10.997 -0.443 -2.823
100 HB2 LYS 13 HB2 LYS 13 -11.490 1.716 -1.761
101 HB3 LYS 13 HB1 LYS 13 -10.028 2.402 -2.467
102 HG2 LYS 13 HG2 LYS 13 -11.940 3.018 -3.847
103 HG3 LYS 13 HG1 LYS 13 -10.937 1.888 -4.742
104 HD2 LYS 13 HD2 LYS 13 -12.431 0.092 -4.411
105 HD3 LYS 13 HD1 LYS 13 -13.243 0.901 -3.067
106 HE2 LYS 13 HE2 LYS 13 -14.622 0.951 -5.110
107 HE3 LYS 13 HE1 LYS 13 -14.140 2.578 -4.631
108 HZ1 LYS 13 HZ1 LYS 13 -13.875 1.873 -7.072
109 HZ2 LYS 13 HZ2 LYS 13 -12.498 1.038 -6.530
110 HZ3 LYS 13 HZ3 LYS 13 -12.608 2.721 -6.329
111 H LEU 14 HN LEU 14 -7.829 1.132 -2.886
112 HA LEU 14 HA LEU 14 -7.511 1.216 -5.687
113 HB2 LEU 14 HB2 LEU 14 -5.494 1.056 -3.434
114 HB3 LEU 14 HB1 LEU 14 -5.045 1.290 -5.119
115 HG LEU 14 HG LEU 14 -7.070 3.085 -3.780
116 HD11 LEU 14 HD11 LEU 14 -5.200 3.413 -2.376
117 HD12 LEU 14 HD12 LEU 14 -5.027 4.677 -3.589
118 HD13 LEU 14 HD13 LEU 14 -4.054 3.210 -3.699
119 HD21 LEU 14 HD21 LEU 14 -6.067 4.660 -5.550
120 HD22 LEU 14 HD22 LEU 14 -7.061 3.342 -6.147
121 HD23 LEU 14 HD23 LEU 14 -5.305 3.224 -6.233
122 H LEU 15 HN LEU 15 -6.684 -1.261 -3.297
123 HA LEU 15 HA LEU 15 -5.397 -3.028 -5.104
124 HB2 LEU 15 HB2 LEU 15 -6.769 -3.505 -2.454
125 HB3 LEU 15 HB1 LEU 15 -5.880 -4.747 -3.326
126 HG LEU 15 HG LEU 15 -4.679 -2.074 -2.552
127 HD11 LEU 15 HD11 LEU 15 -5.303 -3.354 -0.534
128 HD12 LEU 15 HD12 LEU 15 -3.551 -3.299 -0.733
129 HD13 LEU 15 HD13 LEU 15 -4.443 -4.760 -1.162
130 HD21 LEU 15 HD21 LEU 15 -3.328 -2.933 -4.250
131 HD22 LEU 15 HD22 LEU 15 -3.678 -4.610 -3.833
132 HD23 LEU 15 HD23 LEU 15 -2.577 -3.662 -2.842
133 H ASP 16 HN ASP 16 -8.744 -2.681 -4.049
134 HA ASP 16 HA ASP 16 -9.776 -5.004 -5.272
135 HB2 ASP 16 HB2 ASP 16 -11.036 -2.353 -4.567
136 HB3 ASP 16 HB1 ASP 16 -11.956 -3.697 -5.241
137 H ASP 17 HN ASP 17 -9.150 -1.762 -6.496
138 HA ASP 17 HA ASP 17 -10.510 -2.008 -8.961
139 HB2 ASP 17 HB2 ASP 17 -8.182 -0.296 -8.089
140 HB3 ASP 17 HB1 ASP 17 -8.911 -0.175 -9.690
141 H SER 18 HN SER 18 -7.825 -3.646 -7.803
142 HA SER 18 HA SER 18 -6.115 -3.835 -9.982
143 HB2 SER 18 HB2 SER 18 -5.598 -4.773 -7.762
144 HB3 SER 18 HB1 SER 18 -6.833 -6.003 -8.007
145 HG SER 18 HG SER 18 -4.719 -6.727 -8.564
146 H SER 19 HN SER 19 -9.161 -5.409 -9.372
147 HA SER 19 HA SER 19 -8.928 -7.233 -11.593
148 HB2 SER 19 HB2 SER 19 -11.208 -7.875 -11.062
149 HB3 SER 19 HB1 SER 19 -10.286 -7.748 -9.567
150 HG SER 19 HG SER 19 -11.694 -6.317 -8.977
151 H SER 20 HN SER 20 -9.613 -3.974 -11.299
152 HA SER 20 HA SER 20 -11.496 -3.774 -13.492
153 HB2 SER 20 HB2 SER 20 -9.912 -1.506 -12.300
154 HB3 SER 20 HB1 SER 20 -11.476 -1.442 -13.108
155 HG SER 20 HG SER 20 -11.401 -3.149 -10.967
156 H1 LYS 1 HN LYS 1 -11.071 -2.892 -15.535
157 HA LYS 1 HA LYS 1 -8.388 -3.414 -16.526
158 HB2 LYS 1 HB2 LYS 1 -10.959 -2.612 -17.895
159 HB3 LYS 1 HB1 LYS 1 -9.434 -2.861 -18.745
160 HG2 LYS 1 HG2 LYS 1 -9.330 -5.173 -17.890
161 HG3 LYS 1 HG1 LYS 1 -10.855 -4.927 -17.038
162 HD2 LYS 1 HD2 LYS 1 -11.992 -4.491 -19.181
163 HD3 LYS 1 HD1 LYS 1 -10.470 -4.730 -20.039
164 HE2 LYS 1 HE2 LYS 1 -10.348 -7.042 -19.214
165 HE3 LYS 1 HE1 LYS 1 -11.853 -6.813 -18.322
166 HZ1 LYS 1 HZ1 LYS 1 -12.055 -7.905 -20.559
167 HZ2 LYS 1 HZ2 LYS 1 -11.648 -6.406 -21.250
168 HZ3 LYS 1 HZ3 LYS 1 -13.055 -6.559 -20.311
169 H ASN 2 HN ASN 2 -9.461 -0.953 -14.859
170 HA ASN 2 HA ASN 2 -9.053 1.327 -16.444
171 HB2 ASN 2 HB2 ASN 2 -8.742 2.506 -14.258
172 HB3 ASN 2 HB1 ASN 2 -10.169 1.485 -14.292
173 HD21 ASN 2 HD21 ASN 2 -9.075 2.138 -11.802
174 HD22 ASN 2 HD22 ASN 2 -8.319 0.774 -11.133
175 HA PRO 3 HA PRO 3 -4.685 1.526 -16.990
176 HB2 PRO 3 HB2 PRO 3 -4.272 4.253 -16.681
177 HB3 PRO 3 HB1 PRO 3 -4.907 3.496 -18.153
178 HG2 PRO 3 HG2 PRO 3 -6.377 4.848 -15.933
179 HG3 PRO 3 HG1 PRO 3 -6.650 4.930 -17.684
180 HD2 PRO 3 HD2 PRO 3 -8.195 3.423 -16.100
181 HD3 PRO 3 HD1 PRO 3 -7.788 2.892 -17.738
182 H GLU 4 HN GLU 4 -6.164 2.712 -14.095
183 HA GLU 4 HA GLU 4 -3.844 3.392 -12.614
184 HB2 GLU 4 HB2 GLU 4 -6.532 2.382 -11.649
185 HB3 GLU 4 HB1 GLU 4 -5.298 3.134 -10.637
186 HG2 GLU 4 HG2 GLU 4 -6.577 4.464 -13.039
187 HG3 GLU 4 HG1 GLU 4 -7.071 4.742 -11.370
188 H ALA 5 HN ALA 5 -4.991 0.414 -13.742
189 HA ALA 5 HA ALA 5 -4.315 -1.369 -11.696
190 HB1 ALA 5 HB1 ALA 5 -3.865 -1.959 -14.617
191 HB2 ALA 5 HB2 ALA 5 -5.487 -1.846 -13.930
192 HB3 ALA 5 HB3 ALA 5 -4.359 -3.066 -13.337
193 H GLU 6 HN GLU 6 -2.316 0.482 -13.844
194 HA GLU 6 HA GLU 6 0.057 -1.027 -13.768
195 HB2 GLU 6 HB2 GLU 6 -0.416 1.953 -14.004
196 HB3 GLU 6 HB1 GLU 6 1.173 1.205 -14.177
197 HG2 GLU 6 HG2 GLU 6 0.367 -0.161 -16.033
198 HG3 GLU 6 HG1 GLU 6 -1.262 0.478 -15.829
199 H GLU 7 HN GLU 7 -1.289 1.346 -11.521
200 HA GLU 7 HA GLU 7 0.971 1.570 -9.833
201 HB2 GLU 7 HB2 GLU 7 -1.978 2.035 -9.400
202 HB3 GLU 7 HB1 GLU 7 -0.795 2.285 -8.114
203 HG2 GLU 7 HG2 GLU 7 -0.619 3.590 -10.844
204 HG3 GLU 7 HG1 GLU 7 -1.328 4.366 -9.429
205 H ILE 8 HN ILE 8 -1.757 -0.660 -9.901
206 HA ILE 8 HA ILE 8 -1.299 -1.932 -7.419
207 HB ILE 8 HB ILE 8 -2.629 -2.781 -9.985
208 HG12 ILE 8 HG12 ILE 8 -4.627 -2.685 -8.591
209 HG13 ILE 8 HG11 ILE 8 -3.647 -2.396 -7.157
210 HG21 ILE 8 HG21 ILE 8 -1.792 -4.865 -9.241
211 HG22 ILE 8 HG22 ILE 8 -3.408 -4.787 -8.555
212 HG23 ILE 8 HG23 ILE 8 -2.011 -4.440 -7.543
213 HD11 ILE 8 HD11 ILE 8 -2.985 -0.241 -7.911
214 HD12 ILE 8 HD12 ILE 8 -4.713 -0.332 -8.243
215 HD13 ILE 8 HD13 ILE 8 -3.554 -0.559 -9.553
216 H THR 9 HN THR 9 -0.101 -2.653 -10.690
217 HA THR 9 HA THR 9 1.374 -4.970 -10.042
218 HB THR 9 HB THR 9 1.903 -2.889 -12.177
219 HG1 THR 9 HG1 THR 9 0.462 -5.329 -12.136
220 HG21 THR 9 HG21 THR 9 3.890 -4.177 -11.936
221 HG22 THR 9 HG22 THR 9 3.018 -4.914 -13.280
222 HG23 THR 9 HG23 THR 9 2.983 -5.667 -11.687
223 H ARG 10 HN ARG 10 2.252 -1.530 -10.028
224 HA ARG 10 HA ARG 10 4.980 -1.843 -9.359
225 HB2 ARG 10 HB2 ARG 10 3.845 0.280 -10.141
226 HB3 ARG 10 HB1 ARG 10 3.194 0.446 -8.510
227 HG2 ARG 10 HG2 ARG 10 5.626 0.217 -7.702
228 HG3 ARG 10 HG1 ARG 10 6.089 0.478 -9.381
229 HD2 ARG 10 HD2 ARG 10 4.469 2.351 -7.637
230 HD3 ARG 10 HD1 ARG 10 6.109 2.613 -8.222
231 HE ARG 10 HE ARG 10 3.660 2.956 -9.727
232 HH11 ARG 10 HH11 ARG 10 3.927 3.788 -11.828
233 HH12 ARG 10 HH12 ARG 10 5.504 3.824 -12.544
234 HH21 ARG 10 HH21 ARG 10 7.073 2.407 -9.796
235 HH22 ARG 10 HH22 ARG 10 7.285 3.042 -11.393
236 H CYS 11 HN CYS 11 2.047 -1.600 -7.379
237 HA CYS 11 HA CYS 11 3.192 -1.368 -4.849
238 HB2 CYS 11 HB2 CYS 11 0.703 -1.351 -5.550
239 HB3 CYS 11 HB1 CYS 11 0.782 -3.101 -5.366
240 H LYS 12 HN LYS 12 2.387 -4.324 -6.672
241 HA LYS 12 HA LYS 12 3.297 -6.168 -4.741
242 HB2 LYS 12 HB2 LYS 12 1.881 -6.766 -6.692
243 HB3 LYS 12 HB1 LYS 12 3.265 -6.492 -7.750
244 HG2 LYS 12 HG2 LYS 12 4.538 -8.235 -6.566
245 HG3 LYS 12 HG1 LYS 12 3.173 -8.498 -5.480
246 HD2 LYS 12 HD2 LYS 12 1.767 -9.146 -7.400
247 HD3 LYS 12 HD1 LYS 12 3.133 -8.889 -8.486
248 HE2 LYS 12 HE2 LYS 12 4.415 -10.625 -7.296
249 HE3 LYS 12 HE1 LYS 12 3.057 -10.882 -6.201
250 HZ1 LYS 12 HZ1 LYS 12 2.568 -11.048 -9.083
251 HZ2 LYS 12 HZ2 LYS 12 1.825 -11.889 -7.807
252 HZ3 LYS 12 HZ3 LYS 12 3.375 -12.341 -8.337
253 H LYS 13 HN LYS 13 4.943 -4.623 -7.481
254 HA LYS 13 HA LYS 13 7.393 -5.975 -7.219
255 HB2 LYS 13 HB2 LYS 13 6.804 -4.670 -9.218
256 HB3 LYS 13 HB1 LYS 13 6.864 -3.185 -8.270
257 HG2 LYS 13 HG2 LYS 13 8.971 -3.454 -9.468
258 HG3 LYS 13 HG1 LYS 13 9.263 -3.663 -7.748
259 HD2 LYS 13 HD2 LYS 13 9.459 -6.013 -7.937
260 HD3 LYS 13 HD1 LYS 13 8.679 -6.034 -9.521
261 HE2 LYS 13 HE2 LYS 13 11.117 -6.357 -9.712
262 HE3 LYS 13 HE1 LYS 13 10.614 -4.850 -10.479
263 HZ1 LYS 13 HZ1 LYS 13 12.622 -4.826 -8.901
264 HZ2 LYS 13 HZ2 LYS 13 11.465 -4.877 -7.658
265 HZ3 LYS 13 HZ3 LYS 13 11.471 -3.589 -8.766
266 H LEU 14 HN LEU 14 6.196 -2.964 -5.794
267 HA LEU 14 HA LEU 14 8.585 -2.184 -4.513
268 HB2 LEU 14 HB2 LEU 14 5.678 -1.657 -3.857
269 HB3 LEU 14 HB1 LEU 14 7.012 -0.905 -2.992
270 HG LEU 14 HG LEU 14 6.848 -0.774 -6.005
271 HD11 LEU 14 HD11 LEU 14 4.792 0.226 -5.461
272 HD12 LEU 14 HD12 LEU 14 5.890 1.602 -5.482
273 HD13 LEU 14 HD13 LEU 14 5.400 0.890 -3.945
274 HD21 LEU 14 HD21 LEU 14 8.094 1.404 -5.460
275 HD22 LEU 14 HD22 LEU 14 8.972 -0.088 -5.158
276 HD23 LEU 14 HD23 LEU 14 8.241 0.788 -3.815
277 H LEU 15 HN LEU 15 5.895 -4.222 -3.443
278 HA LEU 15 HA LEU 15 6.836 -4.628 -0.798
279 HB2 LEU 15 HB2 LEU 15 5.007 -6.265 -2.563
280 HB3 LEU 15 HB1 LEU 15 5.323 -6.647 -0.875
281 HG LEU 15 HG LEU 15 4.309 -3.945 -1.803
282 HD11 LEU 15 HD11 LEU 15 2.680 -5.748 -2.336
283 HD12 LEU 15 HD12 LEU 15 2.092 -4.683 -1.059
284 HD13 LEU 15 HD13 LEU 15 2.737 -6.273 -0.653
285 HD21 LEU 15 HD21 LEU 15 5.171 -3.608 0.333
286 HD22 LEU 15 HD22 LEU 15 4.856 -5.265 0.847
287 HD23 LEU 15 HD23 LEU 15 3.537 -4.108 0.738
288 H ASP 16 HN ASP 16 7.357 -6.357 -3.829
289 HA ASP 16 HA ASP 16 8.734 -8.580 -2.773
290 HB2 ASP 16 HB2 ASP 16 8.837 -7.230 -5.471
291 HB3 ASP 16 HB1 ASP 16 9.733 -8.703 -5.104
292 H ASP 17 HN ASP 17 9.797 -5.351 -3.688
293 HA ASP 17 HA ASP 17 12.584 -5.807 -3.567
294 HB2 ASP 17 HB2 ASP 17 10.917 -3.318 -3.190
295 HB3 ASP 17 HB1 ASP 17 12.680 -3.303 -3.164
296 H SER 18 HN SER 18 10.268 -5.936 -1.147
297 HA SER 18 HA SER 18 11.479 -4.748 1.054
298 HB2 SER 18 HB2 SER 18 9.190 -5.668 1.089
299 HB3 SER 18 HB1 SER 18 9.855 -7.294 0.988
300 HG SER 18 HG SER 18 9.371 -6.582 3.152
301 H SER 19 HN SER 19 12.120 -7.806 -0.491
302 HA SER 19 HA SER 19 13.885 -8.747 1.584
303 HB2 SER 19 HB2 SER 19 14.344 -10.605 0.084
304 HB3 SER 19 HB1 SER 19 12.611 -10.295 0.110
305 HG SER 19 HG SER 19 12.777 -10.013 -1.957
306 H SER 20 HN SER 20 14.159 -6.510 -0.886
307 HA SER 20 HA SER 20 16.957 -6.946 -1.498
308 HB2 SER 20 HB2 SER 20 15.373 -4.454 -2.101
309 HB3 SER 20 HB1 SER 20 16.779 -5.088 -2.952
310 HG SER 20 HG SER 20 14.676 -6.844 -2.771
311 H1 LYS 1 HN LYS 1 18.686 -5.658 -0.848
312 HA LYS 1 HA LYS 1 18.386 -4.440 1.768
313 HB2 LYS 1 HB2 LYS 1 20.786 -4.889 -0.015
314 HB3 LYS 1 HB1 LYS 1 20.871 -4.141 1.581
315 HG2 LYS 1 HG2 LYS 1 19.880 -6.164 2.589
316 HG3 LYS 1 HG1 LYS 1 19.794 -6.915 0.995
317 HD2 LYS 1 HD2 LYS 1 22.241 -6.767 0.780
318 HD3 LYS 1 HD1 LYS 1 22.340 -5.999 2.364
319 HE2 LYS 1 HE2 LYS 1 21.354 -8.005 3.404
320 HE3 LYS 1 HE1 LYS 1 21.247 -8.776 1.822
321 HZ1 LYS 1 HZ1 LYS 1 23.252 -9.337 3.229
322 HZ2 LYS 1 HZ2 LYS 1 23.806 -7.764 2.906
323 HZ3 LYS 1 HZ3 LYS 1 23.562 -8.860 1.631
324 H ASN 2 HN ASN 2 17.533 -3.304 -1.055
325 HA ASN 2 HA ASN 2 18.962 -0.916 -1.421
326 HB2 ASN 2 HB2 ASN 2 16.960 -0.189 -2.733
327 HB3 ASN 2 HB1 ASN 2 17.517 -1.795 -3.168
328 HD21 ASN 2 HD21 ASN 2 14.854 -1.091 -3.719
329 HD22 ASN 2 HD22 ASN 2 13.819 -1.932 -2.670
330 HA PRO 3 HA PRO 3 17.597 1.698 1.849
331 HB2 PRO 3 HB2 PRO 3 17.364 4.107 0.494
332 HB3 PRO 3 HB1 PRO 3 18.900 3.410 1.040
333 HG2 PRO 3 HG2 PRO 3 17.637 3.325 -1.664
334 HG3 PRO 3 HG1 PRO 3 19.337 3.568 -1.220
335 HD2 PRO 3 HD2 PRO 3 18.453 1.205 -2.115
336 HD3 PRO 3 HD1 PRO 3 19.711 1.286 -0.875
337 H GLU 4 HN GLU 4 15.721 1.343 -1.034
338 HA GLU 4 HA GLU 4 13.446 2.880 -0.318
339 HB2 GLU 4 HB2 GLU 4 13.640 0.429 -2.087
340 HB3 GLU 4 HB1 GLU 4 12.273 1.541 -2.018
341 HG2 GLU 4 HG2 GLU 4 15.101 2.364 -2.726
342 HG3 GLU 4 HG1 GLU 4 13.842 2.025 -3.911
343 H ALA 5 HN ALA 5 14.724 0.031 0.979
344 HA ALA 5 HA ALA 5 12.457 -1.461 1.657
345 HB1 ALA 5 HB1 ALA 5 14.841 -1.156 3.475
346 HB2 ALA 5 HB2 ALA 5 14.934 -2.062 1.964
347 HB3 ALA 5 HB3 ALA 5 13.819 -2.573 3.231
348 H GLU 6 HN GLU 6 13.667 1.536 2.918
349 HA GLU 6 HA GLU 6 12.458 1.551 5.458
350 HB2 GLU 6 HB2 GLU 6 13.115 3.793 3.536
351 HB3 GLU 6 HB1 GLU 6 12.521 4.064 5.176
352 HG2 GLU 6 HG2 GLU 6 14.425 2.868 6.111
353 HG3 GLU 6 HG1 GLU 6 14.993 2.448 4.496
354 H GLU 7 HN GLU 7 11.202 2.344 2.255
355 HA GLU 7 HA GLU 7 8.733 3.442 3.104
356 HB2 GLU 7 HB2 GLU 7 9.650 2.173 0.528
357 HB3 GLU 7 HB1 GLU 7 8.003 2.769 0.735
358 HG2 GLU 7 HG2 GLU 7 10.486 4.444 1.207
359 HG3 GLU 7 HG1 GLU 7 9.557 4.455 -0.293
360 H ILE 8 HN ILE 8 9.779 0.156 2.395
361 HA ILE 8 HA ILE 8 7.246 -1.099 2.469
362 HB ILE 8 HB ILE 8 10.060 -2.045 2.992
363 HG12 ILE 8 HG12 ILE 8 9.677 -3.281 0.927
364 HG13 ILE 8 HG11 ILE 8 7.984 -2.794 0.913
365 HG21 ILE 8 HG21 ILE 8 8.849 -3.445 4.473
366 HG22 ILE 8 HG22 ILE 8 8.950 -4.372 2.987
367 HG23 ILE 8 HG23 ILE 8 7.461 -3.529 3.387
368 HD11 ILE 8 HD11 ILE 8 8.526 -0.525 0.476
369 HD12 ILE 8 HD12 ILE 8 9.588 -1.451 -0.584
370 HD13 ILE 8 HD13 ILE 8 10.222 -0.766 0.910
371 H THR 9 HN THR 9 9.629 -0.436 5.027
372 HA THR 9 HA THR 9 8.245 -1.675 7.151
373 HB THR 9 HB THR 9 10.108 0.712 7.189
374 HG1 THR 9 HG1 THR 9 10.486 -2.074 7.555
375 HG21 THR 9 HG21 THR 9 8.905 0.692 9.256
376 HG22 THR 9 HG22 THR 9 10.456 -0.083 9.583
377 HG23 THR 9 HG23 THR 9 9.006 -1.065 9.373
378 H ARG 10 HN ARG 10 8.113 1.626 5.851
379 HA ARG 10 HA ARG 10 6.319 2.704 7.753
380 HB2 ARG 10 HB2 ARG 10 7.671 3.990 6.040
381 HB3 ARG 10 HB1 ARG 10 6.489 3.481 4.834
382 HG2 ARG 10 HG2 ARG 10 4.710 4.443 6.425
383 HG3 ARG 10 HG1 ARG 10 6.048 5.216 7.268
384 HD2 ARG 10 HD2 ARG 10 5.302 5.567 4.355
385 HD3 ARG 10 HD1 ARG 10 5.146 6.771 5.631
386 HE ARG 10 HE ARG 10 7.573 6.027 4.242
387 HH11 ARG 10 HH11 ARG 10 9.415 7.246 4.790
388 HH12 ARG 10 HH12 ARG 10 9.390 8.249 6.202
389 HH21 ARG 10 HH21 ARG 10 6.140 7.406 7.070
390 HH22 ARG 10 HH22 ARG 10 7.537 8.339 7.493
391 H CYS 11 HN CYS 11 5.812 0.965 4.703
392 HA CYS 11 HA CYS 11 3.061 1.298 4.410
393 HB2 CYS 11 HB2 CYS 11 4.757 0.110 2.864
394 HB3 CYS 11 HB1 CYS 11 4.435 -1.323 3.838
395 H LYS 12 HN LYS 12 4.826 -1.223 6.209
396 HA LYS 12 HA LYS 12 2.558 -2.615 7.146
397 HB2 LYS 12 HB2 LYS 12 4.877 -3.502 7.219
398 HB3 LYS 12 HB1 LYS 12 5.256 -2.339 8.491
399 HG2 LYS 12 HG2 LYS 12 3.517 -3.318 9.928
400 HG3 LYS 12 HG1 LYS 12 3.096 -4.461 8.653
401 HD2 LYS 12 HD2 LYS 12 5.378 -5.398 8.739
402 HD3 LYS 12 HD1 LYS 12 5.795 -4.261 10.022
403 HE2 LYS 12 HE2 LYS 12 4.021 -5.228 11.449
404 HE3 LYS 12 HE1 LYS 12 3.627 -6.377 10.170
405 HZ1 LYS 12 HZ1 LYS 12 6.414 -6.231 11.016
406 HZ2 LYS 12 HZ2 LYS 12 5.493 -7.576 10.534
407 HZ3 LYS 12 HZ3 LYS 12 5.321 -6.941 12.101
408 H LYS 13 HN LYS 13 4.433 0.053 8.550
409 HA LYS 13 HA LYS 13 3.041 0.206 10.987
410 HB2 LYS 13 HB2 LYS 13 5.194 1.338 10.607
411 HB3 LYS 13 HB1 LYS 13 4.420 2.417 9.447
412 HG2 LYS 13 HG2 LYS 13 4.576 3.548 11.599
413 HG3 LYS 13 HG1 LYS 13 2.887 3.200 11.265
414 HD2 LYS 13 HD2 LYS 13 2.819 1.405 12.803
415 HD3 LYS 13 HD1 LYS 13 4.579 1.276 12.858
416 HE2 LYS 13 HE2 LYS 13 3.680 2.346 14.894
417 HE3 LYS 13 HE1 LYS 13 4.699 3.460 13.981
418 HZ1 LYS 13 HZ1 LYS 13 2.440 4.286 14.806
419 HZ2 LYS 13 HZ2 LYS 13 1.783 3.363 13.541
420 HZ3 LYS 13 HZ3 LYS 13 2.871 4.623 13.201
421 H LEU 14 HN LEU 14 2.506 1.774 7.858
422 HA LEU 14 HA LEU 14 0.388 3.460 8.647
423 HB2 LEU 14 HB2 LEU 14 1.094 2.213 5.982
424 HB3 LEU 14 HB1 LEU 14 -0.208 3.378 6.181
425 HG LEU 14 HG LEU 14 2.578 3.977 7.185
426 HD11 LEU 14 HD11 LEU 14 3.051 3.588 4.914
427 HD12 LEU 14 HD12 LEU 14 2.708 5.316 4.948
428 HD13 LEU 14 HD13 LEU 14 1.479 4.185 4.382
429 HD21 LEU 14 HD21 LEU 14 1.702 6.333 6.637
430 HD22 LEU 14 HD22 LEU 14 0.949 5.520 8.001
431 HD23 LEU 14 HD23 LEU 14 0.117 5.584 6.448
432 H LEU 15 HN LEU 15 0.418 0.141 7.413
433 HA LEU 15 HA LEU 15 -2.395 -0.175 7.280
434 HB2 LEU 15 HB2 LEU 15 -0.151 -2.177 7.564
435 HB3 LEU 15 HB1 LEU 15 -1.835 -2.635 7.346
436 HG LEU 15 HG LEU 15 -0.366 -0.779 5.452
437 HD11 LEU 15 HD11 LEU 15 0.682 -3.039 5.500
438 HD12 LEU 15 HD12 LEU 15 -0.121 -2.707 3.965
439 HD13 LEU 15 HD13 LEU 15 -0.895 -3.753 5.157
440 HD21 LEU 15 HD21 LEU 15 -2.644 -0.453 5.067
441 HD22 LEU 15 HD22 LEU 15 -3.075 -2.096 5.537
442 HD23 LEU 15 HD23 LEU 15 -2.324 -1.791 3.977
443 H ASP 16 HN ASP 16 -0.030 -0.751 9.829
444 HA ASP 16 HA ASP 16 -1.742 -2.045 11.659
445 HB2 ASP 16 HB2 ASP 16 0.742 -0.372 12.038
446 HB3 ASP 16 HB1 ASP 16 -0.090 -1.161 13.378
447 H ASP 17 HN ASP 17 -1.120 1.360 10.999
448 HA ASP 17 HA ASP 17 -2.475 2.449 13.223
449 HB2 ASP 17 HB2 ASP 17 -1.904 3.537 10.466
450 HB3 ASP 17 HB1 ASP 17 -2.692 4.487 11.724
451 H SER 18 HN SER 18 -3.659 0.647 10.657
452 HA SER 18 HA SER 18 -6.067 1.858 9.989
453 HB2 SER 18 HB2 SER 18 -5.189 -0.129 8.835
454 HB3 SER 18 HB1 SER 18 -5.494 -1.093 10.275
455 HG SER 18 HG SER 18 -7.181 -1.168 8.658
456 H SER 19 HN SER 19 -5.196 -0.015 12.795
457 HA SER 19 HA SER 19 -7.896 -0.221 13.782
458 HB2 SER 19 HB2 SER 19 -6.902 -1.238 15.746
459 HB3 SER 19 HB1 SER 19 -6.126 -1.903 14.312
460 HG SER 19 HG SER 19 -4.340 -1.197 15.144
461 H SER 20 HN SER 20 -5.592 2.210 13.708
462 HA SER 20 HA SER 20 -6.279 3.477 16.217
463 HB2 SER 20 HB2 SER 20 -4.854 4.782 13.908
464 HB3 SER 20 HB1 SER 20 -4.738 5.167 15.623
465 HG SER 20 HG SER 20 -4.156 2.560 15.068
466 H2 ZBR 100 HA3 TBS 100 -1.490 0.726 -2.029
467 H4 ZBR 100 HC3 TBS 100 0.187 1.411 1.887
468 H6 ZBR 100 HB3 TBS 100 2.683 -0.090 -1.290
469 H7 ZBR 100 HB11 TBS 100 1.617 0.292 -3.688
470 H7A ZBR 100 HB12 TBS 100 -0.130 0.047 -3.800
471 H8 ZBR 100 HA11 TBS 100 -2.576 2.269 -0.191
472 H8A ZBR 100 HA12 TBS 100 -2.043 1.993 1.472
473 H9 ZBR 100 HC11 TBS 100 2.824 1.578 1.842
474 H9A ZBR 100 HC12 TBS 100 3.650 0.439 0.773
Start of MODEL 12
1 H1 LYS 1 HN LYS 1 -7.603 5.567 16.699
2 HA LYS 1 HA LYS 1 -9.621 5.955 14.689
3 HB2 LYS 1 HB2 LYS 1 -9.022 7.411 17.271
4 HB3 LYS 1 HB1 LYS 1 -10.396 7.786 16.230
5 HG2 LYS 1 HG2 LYS 1 -11.207 5.471 16.448
6 HG3 LYS 1 HG1 LYS 1 -9.831 5.083 17.482
7 HD2 LYS 1 HD2 LYS 1 -10.577 6.779 19.115
8 HD3 LYS 1 HD1 LYS 1 -11.956 7.160 18.084
9 HE2 LYS 1 HE2 LYS 1 -12.777 4.851 18.304
10 HE3 LYS 1 HE1 LYS 1 -11.390 4.446 19.314
11 HZ1 LYS 1 HZ1 LYS 1 -12.364 5.337 21.080
12 HZ2 LYS 1 HZ2 LYS 1 -13.793 5.447 20.167
13 HZ3 LYS 1 HZ3 LYS 1 -12.734 6.773 20.257
14 H ASN 2 HN ASN 2 -6.603 6.689 14.417
15 HA ASN 2 HA ASN 2 -6.392 9.454 14.074
16 HB2 ASN 2 HB2 ASN 2 -4.481 8.862 12.519
17 HB3 ASN 2 HB1 ASN 2 -4.389 8.134 14.118
18 HD21 ASN 2 HD21 ASN 2 -3.153 7.078 11.659
19 HD22 ASN 2 HD22 ASN 2 -3.852 5.556 11.387
20 HA PRO 3 HA PRO 3 -8.708 10.332 10.408
21 HB2 PRO 3 HB2 PRO 3 -7.169 12.339 9.284
22 HB3 PRO 3 HB1 PRO 3 -8.235 12.578 10.681
23 HG2 PRO 3 HG2 PRO 3 -5.281 12.124 10.617
24 HG3 PRO 3 HG1 PRO 3 -6.224 13.259 11.600
25 HD2 PRO 3 HD2 PRO 3 -5.314 10.939 12.628
26 HD3 PRO 3 HD1 PRO 3 -6.879 11.613 13.121
27 H GLU 4 HN GLU 4 -5.421 9.316 10.236
28 HA GLU 4 HA GLU 4 -5.097 9.138 7.431
29 HB2 GLU 4 HB2 GLU 4 -3.802 7.601 9.689
30 HB3 GLU 4 HB1 GLU 4 -3.311 7.468 8.000
31 HG2 GLU 4 HG2 GLU 4 -2.820 9.864 7.921
32 HG3 GLU 4 HG1 GLU 4 -3.378 10.054 9.583
33 H ALA 5 HN ALA 5 -7.113 7.455 9.536
34 HA ALA 5 HA ALA 5 -7.123 4.851 8.526
35 HB1 ALA 5 HB1 ALA 5 -9.235 4.600 9.577
36 HB2 ALA 5 HB2 ALA 5 -9.622 6.311 9.387
37 HB3 ALA 5 HB3 ALA 5 -8.394 5.809 10.550
38 H GLU 6 HN GLU 6 -8.530 7.817 7.253
39 HA GLU 6 HA GLU 6 -10.267 6.667 5.350
40 HB2 GLU 6 HB2 GLU 6 -8.775 9.302 5.422
41 HB3 GLU 6 HB1 GLU 6 -9.929 8.891 4.153
42 HG2 GLU 6 HG2 GLU 6 -11.216 10.082 5.744
43 HG3 GLU 6 HG1 GLU 6 -11.583 8.395 6.080
44 H GLU 7 HN GLU 7 -6.827 7.482 5.244
45 HA GLU 7 HA GLU 7 -6.441 6.922 2.493
46 HB2 GLU 7 HB2 GLU 7 -4.797 8.193 3.803
47 HB3 GLU 7 HB1 GLU 7 -4.461 6.768 4.784
48 HG2 GLU 7 HG2 GLU 7 -2.749 7.012 3.045
49 HG3 GLU 7 HG1 GLU 7 -3.698 5.564 2.742
50 H ILE 8 HN ILE 8 -6.312 4.953 5.409
51 HA ILE 8 HA ILE 8 -5.234 2.608 4.238
52 HB ILE 8 HB ILE 8 -7.201 2.774 6.540
53 HG12 ILE 8 HG12 ILE 8 -5.360 4.295 6.974
54 HG13 ILE 8 HG11 ILE 8 -5.123 2.858 7.957
55 HG21 ILE 8 HG21 ILE 8 -6.670 0.585 7.034
56 HG22 ILE 8 HG22 ILE 8 -5.004 0.746 6.487
57 HG23 ILE 8 HG23 ILE 8 -6.293 0.493 5.320
58 HD11 ILE 8 HD11 ILE 8 -3.631 3.731 5.495
59 HD12 ILE 8 HD12 ILE 8 -3.669 2.027 5.953
60 HD13 ILE 8 HD13 ILE 8 -2.992 3.223 7.058
61 H THR 9 HN THR 9 -8.575 3.748 4.631
62 HA THR 9 HA THR 9 -9.869 1.451 3.649
63 HB THR 9 HB THR 9 -10.697 4.362 3.502
64 HG1 THR 9 HG1 THR 9 -10.688 3.902 5.580
65 HG21 THR 9 HG21 THR 9 -12.194 1.788 2.976
66 HG22 THR 9 HG22 THR 9 -12.020 3.182 1.909
67 HG23 THR 9 HG23 THR 9 -13.014 3.302 3.361
68 H ARG 10 HN ARG 10 -8.630 4.341 2.002
69 HA ARG 10 HA ARG 10 -9.534 3.648 -0.587
70 HB2 ARG 10 HB2 ARG 10 -7.264 5.404 0.357
71 HB3 ARG 10 HB1 ARG 10 -7.694 5.220 -1.343
72 HG2 ARG 10 HG2 ARG 10 -10.053 5.908 -0.729
73 HG3 ARG 10 HG1 ARG 10 -9.446 6.294 0.882
74 HD2 ARG 10 HD2 ARG 10 -8.320 7.466 -1.671
75 HD3 ARG 10 HD1 ARG 10 -9.532 8.266 -0.677
76 HE ARG 10 HE ARG 10 -6.703 7.913 -0.036
77 HH11 ARG 10 HH11 ARG 10 -6.026 9.091 1.811
78 HH12 ARG 10 HH12 ARG 10 -7.204 9.786 2.867
79 HH21 ARG 10 HH21 ARG 10 -9.917 8.677 1.027
80 HH22 ARG 10 HH22 ARG 10 -9.398 9.558 2.424
81 H CYS 11 HN CYS 11 -6.578 2.907 1.200
82 HA CYS 11 HA CYS 11 -5.039 1.801 -0.836
83 HB2 CYS 11 HB2 CYS 11 -4.390 2.187 1.588
84 HB3 CYS 11 HB1 CYS 11 -5.226 0.681 1.959
85 H LYS 12 HN LYS 12 -7.454 0.209 1.245
86 HA LYS 12 HA LYS 12 -7.238 -2.349 0.043
87 HB2 LYS 12 HB2 LYS 12 -9.459 -0.998 1.572
88 HB3 LYS 12 HB1 LYS 12 -9.539 -2.680 1.050
89 HG2 LYS 12 HG2 LYS 12 -7.412 -3.129 2.269
90 HG3 LYS 12 HG1 LYS 12 -7.422 -1.467 2.853
91 HD2 LYS 12 HD2 LYS 12 -9.727 -3.367 3.330
92 HD3 LYS 12 HD1 LYS 12 -8.376 -3.225 4.452
93 HE2 LYS 12 HE2 LYS 12 -8.862 -0.729 4.545
94 HE3 LYS 12 HE1 LYS 12 -10.346 -1.063 3.656
95 HZ1 LYS 12 HZ1 LYS 12 -11.299 -1.615 5.548
96 HZ2 LYS 12 HZ2 LYS 12 -9.849 -1.369 6.399
97 HZ3 LYS 12 HZ3 LYS 12 -10.201 -2.893 5.738
98 H LYS 13 HN LYS 13 -9.345 0.424 -0.582
99 HA LYS 13 HA LYS 13 -10.956 -0.810 -2.555
100 HB2 LYS 13 HB2 LYS 13 -11.576 1.290 -1.389
101 HB3 LYS 13 HB1 LYS 13 -10.299 2.130 -2.272
102 HG2 LYS 13 HG2 LYS 13 -11.359 1.580 -4.403
103 HG3 LYS 13 HG1 LYS 13 -12.598 0.636 -3.572
104 HD2 LYS 13 HD2 LYS 13 -13.332 2.678 -2.375
105 HD3 LYS 13 HD1 LYS 13 -12.125 3.614 -3.255
106 HE2 LYS 13 HE2 LYS 13 -14.369 2.034 -4.544
107 HE3 LYS 13 HE1 LYS 13 -14.374 3.780 -4.300
108 HZ1 LYS 13 HZ1 LYS 13 -12.228 3.792 -5.586
109 HZ2 LYS 13 HZ2 LYS 13 -13.626 3.430 -6.481
110 HZ3 LYS 13 HZ3 LYS 13 -12.565 2.186 -6.016
111 H LEU 14 HN LEU 14 -7.923 0.973 -2.722
112 HA LEU 14 HA LEU 14 -7.755 1.239 -5.519
113 HB2 LEU 14 HB2 LEU 14 -5.689 1.092 -3.323
114 HB3 LEU 14 HB1 LEU 14 -5.240 1.345 -5.005
115 HG LEU 14 HG LEU 14 -7.335 3.098 -3.704
116 HD11 LEU 14 HD11 LEU 14 -5.632 3.562 -2.182
117 HD12 LEU 14 HD12 LEU 14 -5.245 4.717 -3.448
118 HD13 LEU 14 HD13 LEU 14 -4.348 3.202 -3.335
119 HD21 LEU 14 HD21 LEU 14 -7.145 3.371 -6.095
120 HD22 LEU 14 HD22 LEU 14 -5.383 3.404 -6.010
121 HD23 LEU 14 HD23 LEU 14 -6.325 4.745 -5.358
122 H LEU 15 HN LEU 15 -6.682 -1.335 -3.334
123 HA LEU 15 HA LEU 15 -5.397 -2.905 -5.311
124 HB2 LEU 15 HB2 LEU 15 -6.612 -3.615 -2.642
125 HB3 LEU 15 HB1 LEU 15 -5.715 -4.764 -3.634
126 HG LEU 15 HG LEU 15 -4.613 -2.090 -2.723
127 HD11 LEU 15 HD11 LEU 15 -5.114 -3.691 -0.847
128 HD12 LEU 15 HD12 LEU 15 -3.411 -3.265 -1.004
129 HD13 LEU 15 HD13 LEU 15 -3.988 -4.825 -1.591
130 HD21 LEU 15 HD21 LEU 15 -3.249 -2.661 -4.518
131 HD22 LEU 15 HD22 LEU 15 -3.523 -4.392 -4.322
132 HD23 LEU 15 HD23 LEU 15 -2.420 -3.545 -3.240
133 H ASP 16 HN ASP 16 -8.705 -2.792 -4.106
134 HA ASP 16 HA ASP 16 -9.685 -5.086 -5.415
135 HB2 ASP 16 HB2 ASP 16 -11.030 -2.540 -4.511
136 HB3 ASP 16 HB1 ASP 16 -11.918 -3.890 -5.214
137 H ASP 17 HN ASP 17 -9.308 -1.754 -6.480
138 HA ASP 17 HA ASP 17 -10.751 -1.973 -8.904
139 HB2 ASP 17 HB2 ASP 17 -8.536 -0.119 -8.021
140 HB3 ASP 17 HB1 ASP 17 -9.335 0.021 -9.587
141 H SER 18 HN SER 18 -7.863 -3.410 -7.933
142 HA SER 18 HA SER 18 -6.310 -3.349 -10.257
143 HB2 SER 18 HB2 SER 18 -5.239 -5.362 -9.383
144 HB3 SER 18 HB1 SER 18 -5.507 -4.199 -8.085
145 HG SER 18 HG SER 18 -7.547 -5.406 -7.764
146 H SER 19 HN SER 19 -9.222 -4.979 -9.560
147 HA SER 19 HA SER 19 -8.932 -6.992 -11.621
148 HB2 SER 19 HB2 SER 19 -11.335 -6.152 -9.992
149 HB3 SER 19 HB1 SER 19 -11.301 -7.521 -11.101
150 HG SER 19 HG SER 19 -9.938 -7.137 -8.667
151 H SER 20 HN SER 20 -9.894 -3.766 -11.462
152 HA SER 20 HA SER 20 -11.629 -3.800 -13.783
153 HB2 SER 20 HB2 SER 20 -10.410 -1.461 -12.303
154 HB3 SER 20 HB1 SER 20 -11.655 -1.362 -13.544
155 HG SER 20 HG SER 20 -11.822 -2.692 -11.039
156 H1 LYS 1 HN LYS 1 -11.170 -2.857 -15.795
157 HA LYS 1 HA LYS 1 -8.474 -3.266 -16.704
158 HB2 LYS 1 HB2 LYS 1 -10.947 -2.224 -18.098
159 HB3 LYS 1 HB1 LYS 1 -9.398 -2.481 -18.904
160 HG2 LYS 1 HG2 LYS 1 -9.442 -4.856 -18.254
161 HG3 LYS 1 HG1 LYS 1 -10.985 -4.608 -17.437
162 HD2 LYS 1 HD2 LYS 1 -12.012 -3.926 -19.575
163 HD3 LYS 1 HD1 LYS 1 -10.470 -4.181 -20.394
164 HE2 LYS 1 HE2 LYS 1 -10.509 -6.558 -19.753
165 HE3 LYS 1 HE1 LYS 1 -12.040 -6.312 -18.914
166 HZ1 LYS 1 HZ1 LYS 1 -13.154 -6.423 -20.815
167 HZ2 LYS 1 HZ2 LYS 1 -11.724 -6.977 -21.546
168 HZ3 LYS 1 HZ3 LYS 1 -12.118 -5.325 -21.588
169 H ASN 2 HN ASN 2 -9.461 -0.974 -14.830
170 HA ASN 2 HA ASN 2 -9.031 1.467 -16.119
171 HB2 ASN 2 HB2 ASN 2 -8.482 2.309 -13.790
172 HB3 ASN 2 HB1 ASN 2 -10.023 1.477 -13.938
173 HD21 ASN 2 HD21 ASN 2 -8.423 1.727 -11.475
174 HD22 ASN 2 HD22 ASN 2 -8.008 0.149 -11.011
175 HA PRO 3 HA PRO 3 -4.672 1.619 -16.863
176 HB2 PRO 3 HB2 PRO 3 -4.161 4.306 -16.445
177 HB3 PRO 3 HB1 PRO 3 -4.950 3.666 -17.900
178 HG2 PRO 3 HG2 PRO 3 -6.182 4.897 -15.468
179 HG3 PRO 3 HG1 PRO 3 -6.580 5.144 -17.181
180 HD2 PRO 3 HD2 PRO 3 -8.076 3.537 -15.620
181 HD3 PRO 3 HD1 PRO 3 -7.792 3.154 -17.328
182 H GLU 4 HN GLU 4 -5.999 2.589 -13.836
183 HA GLU 4 HA GLU 4 -3.622 3.140 -12.402
184 HB2 GLU 4 HB2 GLU 4 -6.333 2.174 -11.479
185 HB3 GLU 4 HB1 GLU 4 -5.030 2.633 -10.383
186 HG2 GLU 4 HG2 GLU 4 -4.966 4.880 -11.347
187 HG3 GLU 4 HG1 GLU 4 -6.209 4.437 -12.516
188 H ALA 5 HN ALA 5 -4.800 0.275 -13.723
189 HA ALA 5 HA ALA 5 -4.084 -1.670 -11.850
190 HB1 ALA 5 HB1 ALA 5 -4.145 -3.221 -13.650
191 HB2 ALA 5 HB2 ALA 5 -3.695 -1.991 -14.830
192 HB3 ALA 5 HB3 ALA 5 -5.300 -1.965 -14.098
193 H GLU 6 HN GLU 6 -2.115 0.226 -14.071
194 HA GLU 6 HA GLU 6 0.252 -1.300 -13.937
195 HB2 GLU 6 HB2 GLU 6 -0.244 1.653 -14.372
196 HB3 GLU 6 HB1 GLU 6 1.358 0.926 -14.487
197 HG2 GLU 6 HG2 GLU 6 0.571 0.909 -16.714
198 HG3 GLU 6 HG1 GLU 6 0.264 -0.731 -16.159
199 H GLU 7 HN GLU 7 -1.045 1.258 -11.868
200 HA GLU 7 HA GLU 7 1.233 1.517 -10.203
201 HB2 GLU 7 HB2 GLU 7 -0.536 3.216 -10.243
202 HB3 GLU 7 HB1 GLU 7 -1.682 2.056 -9.576
203 HG2 GLU 7 HG2 GLU 7 -0.814 3.507 -7.798
204 HG3 GLU 7 HG1 GLU 7 -0.276 1.855 -7.535
205 H ILE 8 HN ILE 8 -1.607 -0.562 -10.115
206 HA ILE 8 HA ILE 8 -1.182 -1.672 -7.542
207 HB ILE 8 HB ILE 8 -2.426 -3.033 -9.948
208 HG12 ILE 8 HG12 ILE 8 -3.470 -0.862 -9.647
209 HG13 ILE 8 HG11 ILE 8 -4.572 -2.086 -9.037
210 HG21 ILE 8 HG21 ILE 8 -3.246 -4.631 -8.504
211 HG22 ILE 8 HG22 ILE 8 -3.466 -3.486 -7.186
212 HG23 ILE 8 HG23 ILE 8 -1.878 -4.165 -7.505
213 HD11 ILE 8 HD11 ILE 8 -2.905 -0.109 -7.502
214 HD12 ILE 8 HD12 ILE 8 -3.432 -1.607 -6.734
215 HD13 ILE 8 HD13 ILE 8 -4.624 -0.464 -7.350
216 H THR 9 HN THR 9 -0.039 -2.634 -10.766
217 HA THR 9 HA THR 9 1.219 -5.034 -10.011
218 HB THR 9 HB THR 9 1.930 -3.077 -12.213
219 HG1 THR 9 HG1 THR 9 0.006 -3.832 -12.737
220 HG21 THR 9 HG21 THR 9 2.844 -5.891 -11.610
221 HG22 THR 9 HG22 THR 9 3.835 -4.462 -11.899
222 HG23 THR 9 HG23 THR 9 2.941 -5.198 -13.229
223 H ARG 10 HN ARG 10 2.402 -1.689 -10.119
224 HA ARG 10 HA ARG 10 5.069 -2.266 -9.372
225 HB2 ARG 10 HB2 ARG 10 3.385 0.229 -9.096
226 HB3 ARG 10 HB1 ARG 10 5.085 0.164 -8.629
227 HG2 ARG 10 HG2 ARG 10 5.602 -0.660 -10.967
228 HG3 ARG 10 HG1 ARG 10 3.923 -0.318 -11.385
229 HD2 ARG 10 HD2 ARG 10 5.824 1.730 -10.225
230 HD3 ARG 10 HD1 ARG 10 5.516 1.547 -11.947
231 HE ARG 10 HE ARG 10 3.697 2.666 -9.957
232 HH11 ARG 10 HH11 ARG 10 1.831 3.646 -10.865
233 HH12 ARG 10 HH12 ARG 10 1.440 3.373 -12.526
234 HH21 ARG 10 HH21 ARG 10 4.178 1.343 -13.127
235 HH22 ARG 10 HH22 ARG 10 2.764 2.079 -13.804
236 H CYS 11 HN CYS 11 2.146 -1.603 -7.498
237 HA CYS 11 HA CYS 11 3.250 -1.296 -4.964
238 HB2 CYS 11 HB2 CYS 11 0.820 -1.070 -5.648
239 HB3 CYS 11 HB1 CYS 11 0.719 -2.827 -5.554
240 H LYS 12 HN LYS 12 2.266 -4.303 -6.607
241 HA LYS 12 HA LYS 12 3.058 -6.045 -4.519
242 HB2 LYS 12 HB2 LYS 12 2.719 -6.449 -7.487
243 HB3 LYS 12 HB1 LYS 12 3.094 -7.767 -6.378
244 HG2 LYS 12 HG2 LYS 12 1.063 -7.199 -5.055
245 HG3 LYS 12 HG1 LYS 12 0.668 -5.950 -6.235
246 HD2 LYS 12 HD2 LYS 12 1.056 -8.847 -7.013
247 HD3 LYS 12 HD1 LYS 12 -0.514 -8.202 -6.543
248 HE2 LYS 12 HE2 LYS 12 -0.208 -6.438 -8.350
249 HE3 LYS 12 HE1 LYS 12 1.196 -7.352 -8.897
250 HZ1 LYS 12 HZ1 LYS 12 -0.150 -8.679 -10.000
251 HZ2 LYS 12 HZ2 LYS 12 -1.510 -7.836 -9.430
252 HZ3 LYS 12 HZ3 LYS 12 -0.892 -9.153 -8.551
253 H LYS 13 HN LYS 13 4.733 -4.812 -7.378
254 HA LYS 13 HA LYS 13 7.097 -6.337 -7.071
255 HB2 LYS 13 HB2 LYS 13 6.472 -5.175 -9.171
256 HB3 LYS 13 HB1 LYS 13 6.795 -3.628 -8.385
257 HG2 LYS 13 HG2 LYS 13 9.124 -4.262 -8.009
258 HG3 LYS 13 HG1 LYS 13 8.823 -5.862 -8.687
259 HD2 LYS 13 HD2 LYS 13 8.217 -4.822 -10.851
260 HD3 LYS 13 HD1 LYS 13 8.566 -3.232 -10.173
261 HE2 LYS 13 HE2 LYS 13 10.565 -5.503 -10.386
262 HE3 LYS 13 HE1 LYS 13 10.479 -4.126 -11.485
263 HZ1 LYS 13 HZ1 LYS 13 10.706 -2.713 -9.417
264 HZ2 LYS 13 HZ2 LYS 13 12.091 -3.565 -9.909
265 HZ3 LYS 13 HZ3 LYS 13 11.159 -4.132 -8.606
266 H LEU 14 HN LEU 14 6.105 -3.190 -5.834
267 HA LEU 14 HA LEU 14 8.580 -2.366 -4.774
268 HB2 LEU 14 HB2 LEU 14 5.711 -1.762 -4.051
269 HB3 LEU 14 HB1 LEU 14 7.060 -0.997 -3.220
270 HG LEU 14 HG LEU 14 6.918 -0.953 -6.242
271 HD11 LEU 14 HD11 LEU 14 4.853 0.064 -5.887
272 HD12 LEU 14 HD12 LEU 14 5.911 1.461 -5.760
273 HD13 LEU 14 HD13 LEU 14 5.302 0.683 -4.299
274 HD21 LEU 14 HD21 LEU 14 9.006 -0.174 -5.291
275 HD22 LEU 14 HD22 LEU 14 8.154 0.822 -4.108
276 HD23 LEU 14 HD23 LEU 14 8.106 1.245 -5.820
277 H LEU 15 HN LEU 15 5.945 -4.280 -3.381
278 HA LEU 15 HA LEU 15 7.058 -4.500 -0.787
279 HB2 LEU 15 HB2 LEU 15 5.102 -6.230 -2.300
280 HB3 LEU 15 HB1 LEU 15 5.526 -6.499 -0.610
281 HG LEU 15 HG LEU 15 4.453 -3.876 -1.690
282 HD11 LEU 15 HD11 LEU 15 2.843 -5.806 -1.866
283 HD12 LEU 15 HD12 LEU 15 2.299 -4.493 -0.824
284 HD13 LEU 15 HD13 LEU 15 2.946 -5.972 -0.113
285 HD21 LEU 15 HD21 LEU 15 5.459 -3.275 0.321
286 HD22 LEU 15 HD22 LEU 15 5.250 -4.874 1.034
287 HD23 LEU 15 HD23 LEU 15 3.882 -3.769 0.925
288 H ASP 16 HN ASP 16 7.373 -6.429 -3.715
289 HA ASP 16 HA ASP 16 8.786 -8.601 -2.609
290 HB2 ASP 16 HB2 ASP 16 8.736 -7.422 -5.387
291 HB3 ASP 16 HB1 ASP 16 9.638 -8.883 -4.986
292 H ASP 17 HN ASP 17 9.845 -5.470 -3.810
293 HA ASP 17 HA ASP 17 12.629 -5.987 -3.795
294 HB2 ASP 17 HB2 ASP 17 11.040 -3.427 -3.582
295 HB3 ASP 17 HB1 ASP 17 12.802 -3.459 -3.637
296 H SER 18 HN SER 18 10.423 -5.770 -1.258
297 HA SER 18 HA SER 18 11.867 -4.443 0.734
298 HB2 SER 18 HB2 SER 18 10.474 -5.677 2.316
299 HB3 SER 18 HB1 SER 18 9.503 -5.109 0.958
300 HG SER 18 HG SER 18 10.011 -7.268 0.035
301 H SER 19 HN SER 19 12.349 -7.496 -0.710
302 HA SER 19 HA SER 19 13.933 -8.591 1.451
303 HB2 SER 19 HB2 SER 19 13.535 -9.526 -1.393
304 HB3 SER 19 HB1 SER 19 14.430 -10.413 -0.163
305 HG SER 19 HG SER 19 11.682 -9.844 -0.341
306 H SER 20 HN SER 20 14.443 -6.511 -1.151
307 HA SER 20 HA SER 20 17.275 -7.050 -1.472
308 HB2 SER 20 HB2 SER 20 15.622 -4.742 -2.517
309 HB3 SER 20 HB1 SER 20 17.264 -5.152 -3.006
310 HG SER 20 HG SER 20 14.947 -6.774 -3.280
311 H1 LYS 1 HN LYS 1 18.961 -5.650 -0.888
312 HA LYS 1 HA LYS 1 18.590 -4.339 1.642
313 HB2 LYS 1 HB2 LYS 1 20.983 -4.562 -0.194
314 HB3 LYS 1 HB1 LYS 1 21.026 -3.778 1.385
315 HG2 LYS 1 HG2 LYS 1 20.286 -5.866 2.458
316 HG3 LYS 1 HG1 LYS 1 20.221 -6.658 0.882
317 HD2 LYS 1 HD2 LYS 1 22.637 -6.256 0.579
318 HD3 LYS 1 HD1 LYS 1 22.702 -5.470 2.157
319 HE2 LYS 1 HE2 LYS 1 21.973 -7.551 3.242
320 HE3 LYS 1 HE1 LYS 1 21.868 -8.345 1.670
321 HZ1 LYS 1 HZ1 LYS 1 24.045 -8.701 1.661
322 HZ2 LYS 1 HZ2 LYS 1 24.076 -8.208 3.287
323 HZ3 LYS 1 HZ3 LYS 1 24.395 -7.087 2.051
324 H ASN 2 HN ASN 2 17.490 -3.357 -1.108
325 HA ASN 2 HA ASN 2 18.646 -0.879 -1.686
326 HB2 ASN 2 HB2 ASN 2 16.381 -0.338 -2.684
327 HB3 ASN 2 HB1 ASN 2 17.105 -1.836 -3.256
328 HD21 ASN 2 HD21 ASN 2 14.224 -1.213 -3.207
329 HD22 ASN 2 HD22 ASN 2 13.504 -2.357 -2.182
330 HA PRO 3 HA PRO 3 17.464 1.750 1.670
331 HB2 PRO 3 HB2 PRO 3 17.064 4.147 0.344
332 HB3 PRO 3 HB1 PRO 3 18.665 3.474 0.710
333 HG2 PRO 3 HG2 PRO 3 17.103 3.354 -1.838
334 HG3 PRO 3 HG1 PRO 3 18.834 3.658 -1.589
335 HD2 PRO 3 HD2 PRO 3 17.935 1.239 -2.370
336 HD3 PRO 3 HD1 PRO 3 19.328 1.397 -1.284
337 H GLU 4 HN GLU 4 15.372 1.256 -1.024
338 HA GLU 4 HA GLU 4 13.107 2.721 -0.173
339 HB2 GLU 4 HB2 GLU 4 13.356 0.282 -1.940
340 HB3 GLU 4 HB1 GLU 4 11.848 1.160 -1.684
341 HG2 GLU 4 HG2 GLU 4 12.865 3.215 -2.544
342 HG3 GLU 4 HG1 GLU 4 14.408 2.387 -2.748
343 H ALA 5 HN ALA 5 14.592 -0.004 1.127
344 HA ALA 5 HA ALA 5 12.462 -1.571 2.028
345 HB1 ALA 5 HB1 ALA 5 13.998 -2.531 3.557
346 HB2 ALA 5 HB2 ALA 5 14.948 -1.048 3.661
347 HB3 ALA 5 HB3 ALA 5 14.992 -2.023 2.192
348 H GLU 6 HN GLU 6 13.754 1.474 3.240
349 HA GLU 6 HA GLU 6 12.505 1.476 5.769
350 HB2 GLU 6 HB2 GLU 6 13.327 3.714 3.902
351 HB3 GLU 6 HB1 GLU 6 12.694 4.004 5.522
352 HG2 GLU 6 HG2 GLU 6 15.042 3.983 5.816
353 HG3 GLU 6 HG1 GLU 6 14.539 2.377 6.328
354 H GLU 7 HN GLU 7 11.383 2.471 2.564
355 HA GLU 7 HA GLU 7 8.927 3.600 3.417
356 HB2 GLU 7 HB2 GLU 7 9.848 4.036 1.184
357 HB3 GLU 7 HB1 GLU 7 9.644 2.339 0.757
358 HG2 GLU 7 HG2 GLU 7 7.782 3.665 -0.134
359 HG3 GLU 7 HG1 GLU 7 7.190 2.562 1.098
360 H ILE 8 HN ILE 8 9.909 0.343 2.509
361 HA ILE 8 HA ILE 8 7.329 -0.824 2.444
362 HB ILE 8 HB ILE 8 9.928 -2.154 3.258
363 HG12 ILE 8 HG12 ILE 8 10.267 -1.003 1.149
364 HG13 ILE 8 HG11 ILE 8 10.092 -2.719 0.810
365 HG21 ILE 8 HG21 ILE 8 8.864 -4.182 3.008
366 HG22 ILE 8 HG22 ILE 8 7.852 -3.615 1.685
367 HG23 ILE 8 HG23 ILE 8 7.413 -3.253 3.347
368 HD11 ILE 8 HD11 ILE 8 8.152 -0.482 0.290
369 HD12 ILE 8 HD12 ILE 8 7.566 -2.137 0.467
370 HD13 ILE 8 HD13 ILE 8 8.716 -1.738 -0.808
371 H THR 9 HN THR 9 9.673 -0.380 5.075
372 HA THR 9 HA THR 9 8.278 -1.807 7.058
373 HB THR 9 HB THR 9 10.106 0.597 7.318
374 HG1 THR 9 HG1 THR 9 11.345 -0.963 6.556
375 HG21 THR 9 HG21 THR 9 8.986 -1.345 9.346
376 HG22 THR 9 HG22 THR 9 8.889 0.417 9.360
377 HG23 THR 9 HG23 THR 9 10.434 -0.384 9.650
378 H ARG 10 HN ARG 10 8.119 1.593 6.050
379 HA ARG 10 HA ARG 10 6.265 2.425 8.017
380 HB2 ARG 10 HB2 ARG 10 6.918 3.503 5.271
381 HB3 ARG 10 HB1 ARG 10 5.768 4.283 6.357
382 HG2 ARG 10 HG2 ARG 10 7.596 4.328 8.110
383 HG3 ARG 10 HG1 ARG 10 8.712 3.779 6.860
384 HD2 ARG 10 HD2 ARG 10 7.007 6.267 6.623
385 HD3 ARG 10 HD1 ARG 10 8.677 6.276 7.175
386 HE ARG 10 HE ARG 10 7.741 5.834 4.445
387 HH11 ARG 10 HH11 ARG 10 9.428 5.800 2.888
388 HH12 ARG 10 HH12 ARG 10 11.073 5.676 3.408
389 HH21 ARG 10 HH21 ARG 10 10.296 5.604 6.780
390 HH22 ARG 10 HH22 ARG 10 11.564 5.570 5.601
391 H CYS 11 HN CYS 11 5.873 1.028 4.797
392 HA CYS 11 HA CYS 11 3.141 1.394 4.429
393 HB2 CYS 11 HB2 CYS 11 4.820 0.383 2.815
394 HB3 CYS 11 HB1 CYS 11 4.636 -1.125 3.704
395 H LYS 12 HN LYS 12 4.821 -1.280 6.086
396 HA LYS 12 HA LYS 12 2.472 -2.671 6.839
397 HB2 LYS 12 HB2 LYS 12 5.260 -2.618 7.983
398 HB3 LYS 12 HB1 LYS 12 4.001 -3.702 8.575
399 HG2 LYS 12 HG2 LYS 12 3.722 -4.595 6.268
400 HG3 LYS 12 HG1 LYS 12 5.045 -3.565 5.729
401 HD2 LYS 12 HD2 LYS 12 5.367 -5.570 7.969
402 HD3 LYS 12 HD1 LYS 12 5.660 -5.989 6.283
403 HE2 LYS 12 HE2 LYS 12 7.291 -4.044 6.190
404 HE3 LYS 12 HE1 LYS 12 7.114 -3.905 7.939
405 HZ1 LYS 12 HZ1 LYS 12 8.592 -5.501 8.168
406 HZ2 LYS 12 HZ2 LYS 12 8.708 -5.695 6.484
407 HZ3 LYS 12 HZ3 LYS 12 7.560 -6.583 7.367
408 H LYS 13 HN LYS 13 4.426 -0.212 8.468
409 HA LYS 13 HA LYS 13 3.022 -0.235 10.924
410 HB2 LYS 13 HB2 LYS 13 5.269 0.773 10.632
411 HB3 LYS 13 HB1 LYS 13 4.541 2.067 9.678
412 HG2 LYS 13 HG2 LYS 13 3.160 2.741 11.577
413 HG3 LYS 13 HG1 LYS 13 3.777 1.394 12.536
414 HD2 LYS 13 HD2 LYS 13 6.065 2.325 12.350
415 HD3 LYS 13 HD1 LYS 13 5.425 3.689 11.433
416 HE2 LYS 13 HE2 LYS 13 4.589 2.954 14.254
417 HE3 LYS 13 HE1 LYS 13 5.722 4.241 13.840
418 HZ1 LYS 13 HZ1 LYS 13 3.879 5.145 12.398
419 HZ2 LYS 13 HZ2 LYS 13 3.648 5.270 14.076
420 HZ3 LYS 13 HZ3 LYS 13 2.840 4.065 13.192
421 H LEU 14 HN LEU 14 2.572 1.563 7.929
422 HA LEU 14 HA LEU 14 0.621 3.382 8.829
423 HB2 LEU 14 HB2 LEU 14 1.249 2.181 6.130
424 HB3 LEU 14 HB1 LEU 14 -0.025 3.377 6.341
425 HG LEU 14 HG LEU 14 2.760 3.917 7.394
426 HD11 LEU 14 HD11 LEU 14 3.376 3.550 5.170
427 HD12 LEU 14 HD12 LEU 14 2.949 5.253 5.117
428 HD13 LEU 14 HD13 LEU 14 1.805 4.040 4.538
429 HD21 LEU 14 HD21 LEU 14 1.062 5.501 8.093
430 HD22 LEU 14 HD22 LEU 14 0.436 5.629 6.450
431 HD23 LEU 14 HD23 LEU 14 2.028 6.279 6.842
432 H LEU 15 HN LEU 15 0.348 0.120 7.476
433 HA LEU 15 HA LEU 15 -2.483 0.056 7.391
434 HB2 LEU 15 HB2 LEU 15 -0.414 -2.134 7.554
435 HB3 LEU 15 HB1 LEU 15 -2.139 -2.444 7.353
436 HG LEU 15 HG LEU 15 -0.515 -0.667 5.507
437 HD11 LEU 15 HD11 LEU 15 0.217 -3.070 5.501
438 HD12 LEU 15 HD12 LEU 15 -0.423 -2.509 3.957
439 HD13 LEU 15 HD13 LEU 15 -1.418 -3.513 5.012
440 HD21 LEU 15 HD21 LEU 15 -2.724 -0.031 5.112
441 HD22 LEU 15 HD22 LEU 15 -3.375 -1.604 5.573
442 HD23 LEU 15 HD23 LEU 15 -2.604 -1.392 4.004
443 H ASP 16 HN ASP 16 -0.129 -0.801 9.866
444 HA ASP 16 HA ASP 16 -1.897 -2.020 11.691
445 HB2 ASP 16 HB2 ASP 16 0.715 -0.556 12.073
446 HB3 ASP 16 HB1 ASP 16 -0.143 -1.341 13.398
447 H ASP 17 HN ASP 17 -1.028 1.345 11.147
448 HA ASP 17 HA ASP 17 -2.271 2.429 13.447
449 HB2 ASP 17 HB2 ASP 17 -1.593 3.620 10.756
450 HB3 ASP 17 HB1 ASP 17 -2.300 4.561 12.069
451 H SER 18 HN SER 18 -3.594 0.928 10.737
452 HA SER 18 HA SER 18 -5.911 2.418 10.255
453 HB2 SER 18 HB2 SER 18 -6.830 0.358 9.318
454 HB3 SER 18 HB1 SER 18 -5.151 0.559 8.821
455 HG SER 18 HG SER 18 -4.690 -0.778 10.760
456 H SER 19 HN SER 19 -5.029 0.459 12.901
457 HA SER 19 HA SER 19 -7.730 -0.013 13.832
458 HB2 SER 19 HB2 SER 19 -5.055 -0.425 15.174
459 HB3 SER 19 HB1 SER 19 -6.603 -0.897 15.870
460 HG SER 19 HG SER 19 -5.231 -1.921 13.644
461 H SER 20 HN SER 20 -5.465 2.478 14.031
462 HA SER 20 HA SER 20 -6.441 3.630 16.507
463 HB2 SER 20 HB2 SER 20 -4.624 4.833 14.407
464 HB3 SER 20 HB1 SER 20 -4.924 5.479 16.018
465 HG SER 20 HG SER 20 -3.746 2.982 15.345
466 H2 ZBR 100 HA3 TBS 100 -1.596 0.811 -1.886
467 H4 ZBR 100 HC3 TBS 100 0.380 1.419 1.903
468 H6 ZBR 100 HB3 TBS 100 2.608 -0.076 -1.481
469 H7 ZBR 100 HB11 TBS 100 1.313 0.473 -3.806
470 H7A ZBR 100 HB12 TBS 100 -0.403 0.055 -3.751
471 H8 ZBR 100 HA11 TBS 100 -2.447 2.448 0.064
472 H8A ZBR 100 HA12 TBS 100 -1.881 2.001 1.678
473 H9 ZBR 100 HC11 TBS 100 3.072 1.582 1.573
474 H9A ZBR 100 HC12 TBS 100 3.722 0.302 0.543
Start of MODEL 13
1 H1 LYS 1 HN LYS 1 -7.109 4.212 16.280
2 HA LYS 1 HA LYS 1 -9.302 4.546 14.345
3 HB2 LYS 1 HB2 LYS 1 -9.021 5.273 17.266
4 HB3 LYS 1 HB1 LYS 1 -10.407 5.739 16.278
5 HG2 LYS 1 HG2 LYS 1 -10.842 3.366 15.758
6 HG3 LYS 1 HG1 LYS 1 -9.460 2.896 16.748
7 HD2 LYS 1 HD2 LYS 1 -10.515 3.855 18.735
8 HD3 LYS 1 HD1 LYS 1 -11.873 4.424 17.764
9 HE2 LYS 1 HE2 LYS 1 -12.471 2.330 18.890
10 HE3 LYS 1 HE1 LYS 1 -12.392 2.076 17.146
11 HZ1 LYS 1 HZ1 LYS 1 -11.008 0.420 17.629
12 HZ2 LYS 1 HZ2 LYS 1 -10.786 0.942 19.231
13 HZ3 LYS 1 HZ3 LYS 1 -9.851 1.610 17.980
14 H ASN 2 HN ASN 2 -6.448 5.834 14.577
15 HA ASN 2 HA ASN 2 -6.849 8.578 14.934
16 HB2 ASN 2 HB2 ASN 2 -4.725 8.791 13.526
17 HB3 ASN 2 HB1 ASN 2 -4.611 7.850 15.008
18 HD21 ASN 2 HD21 ASN 2 -5.785 7.071 11.669
19 HD22 ASN 2 HD22 ASN 2 -4.830 5.680 11.525
20 HA PRO 3 HA PRO 3 -8.914 10.063 11.302
21 HB2 PRO 3 HB2 PRO 3 -6.681 12.038 10.960
22 HB3 PRO 3 HB1 PRO 3 -8.428 12.323 11.077
23 HG2 PRO 3 HG2 PRO 3 -6.821 12.871 13.115
24 HG3 PRO 3 HG1 PRO 3 -8.433 12.178 13.381
25 HD2 PRO 3 HD2 PRO 3 -5.755 10.842 13.540
26 HD3 PRO 3 HD1 PRO 3 -7.215 10.589 14.519
27 H GLU 4 HN GLU 4 -5.521 9.265 11.142
28 HA GLU 4 HA GLU 4 -5.115 9.418 8.354
29 HB2 GLU 4 HB2 GLU 4 -3.806 7.690 10.463
30 HB3 GLU 4 HB1 GLU 4 -3.255 7.781 8.791
31 HG2 GLU 4 HG2 GLU 4 -2.892 10.192 9.013
32 HG3 GLU 4 HG1 GLU 4 -3.512 10.151 10.663
33 H ALA 5 HN ALA 5 -7.054 7.347 10.199
34 HA ALA 5 HA ALA 5 -6.884 4.907 8.836
35 HB1 ALA 5 HB1 ALA 5 -9.191 6.271 10.234
36 HB2 ALA 5 HB2 ALA 5 -8.155 4.988 10.858
37 HB3 ALA 5 HB3 ALA 5 -9.309 4.642 9.569
38 H GLU 6 HN GLU 6 -8.415 7.933 7.954
39 HA GLU 6 HA GLU 6 -10.150 6.983 5.939
40 HB2 GLU 6 HB2 GLU 6 -8.710 9.622 6.287
41 HB3 GLU 6 HB1 GLU 6 -9.902 9.332 5.020
42 HG2 GLU 6 HG2 GLU 6 -11.606 8.816 6.688
43 HG3 GLU 6 HG1 GLU 6 -10.423 8.973 7.985
44 H GLU 7 HN GLU 7 -6.739 7.934 5.882
45 HA GLU 7 HA GLU 7 -6.383 7.682 3.078
46 HB2 GLU 7 HB2 GLU 7 -4.800 8.908 4.543
47 HB3 GLU 7 HB1 GLU 7 -4.319 7.378 5.278
48 HG2 GLU 7 HG2 GLU 7 -2.706 7.971 3.547
49 HG3 GLU 7 HG1 GLU 7 -3.617 6.563 3.012
50 H ILE 8 HN ILE 8 -6.092 5.451 5.785
51 HA ILE 8 HA ILE 8 -4.897 3.282 4.398
52 HB ILE 8 HB ILE 8 -6.832 3.131 6.726
53 HG12 ILE 8 HG12 ILE 8 -5.061 4.706 7.261
54 HG13 ILE 8 HG11 ILE 8 -4.753 3.203 8.117
55 HG21 ILE 8 HG21 ILE 8 -4.645 1.306 5.696
56 HG22 ILE 8 HG22 ILE 8 -6.374 0.957 5.754
57 HG23 ILE 8 HG23 ILE 8 -5.451 1.100 7.249
58 HD11 ILE 8 HD11 ILE 8 -3.270 2.613 6.047
59 HD12 ILE 8 HD12 ILE 8 -2.652 3.752 7.242
60 HD13 ILE 8 HD13 ILE 8 -3.327 4.348 5.729
61 H THR 9 HN THR 9 -8.289 4.179 4.915
62 HA THR 9 HA THR 9 -9.450 1.900 3.740
63 HB THR 9 HB THR 9 -10.460 4.753 3.856
64 HG1 THR 9 HG1 THR 9 -10.858 4.266 5.838
65 HG21 THR 9 HG21 THR 9 -12.708 3.546 3.652
66 HG22 THR 9 HG22 THR 9 -11.788 2.145 3.105
67 HG23 THR 9 HG23 THR 9 -11.740 3.648 2.183
68 H ARG 10 HN ARG 10 -8.401 4.995 2.340
69 HA ARG 10 HA ARG 10 -9.334 4.526 -0.284
70 HB2 ARG 10 HB2 ARG 10 -8.505 6.726 0.672
71 HB3 ARG 10 HB1 ARG 10 -6.867 6.111 0.449
72 HG2 ARG 10 HG2 ARG 10 -7.399 5.725 -1.972
73 HG3 ARG 10 HG1 ARG 10 -8.960 6.504 -1.710
74 HD2 ARG 10 HD2 ARG 10 -7.524 8.220 -2.532
75 HD3 ARG 10 HD1 ARG 10 -7.661 8.499 -0.800
76 HE ARG 10 HE ARG 10 -5.414 7.865 -0.552
77 HH11 ARG 10 HH11 ARG 10 -3.354 7.472 -1.428
78 HH12 ARG 10 HH12 ARG 10 -3.196 7.095 -3.112
79 HH21 ARG 10 HH21 ARG 10 -6.597 7.300 -3.750
80 HH22 ARG 10 HH22 ARG 10 -5.032 6.997 -4.424
81 H CYS 11 HN CYS 11 -6.275 3.764 1.332
82 HA CYS 11 HA CYS 11 -4.861 2.796 -0.897
83 HB2 CYS 11 HB2 CYS 11 -3.888 3.284 1.358
84 HB3 CYS 11 HB1 CYS 11 -4.643 1.804 1.948
85 H LYS 12 HN LYS 12 -7.062 1.201 1.357
86 HA LYS 12 HA LYS 12 -6.732 -1.438 0.436
87 HB2 LYS 12 HB2 LYS 12 -7.904 -0.828 2.540
88 HB3 LYS 12 HB1 LYS 12 -9.232 -0.168 1.585
89 HG2 LYS 12 HG2 LYS 12 -9.616 -2.375 0.565
90 HG3 LYS 12 HG1 LYS 12 -8.267 -3.043 1.484
91 HD2 LYS 12 HD2 LYS 12 -9.427 -2.493 3.590
92 HD3 LYS 12 HD1 LYS 12 -10.777 -1.823 2.672
93 HE2 LYS 12 HE2 LYS 12 -11.303 -4.117 3.347
94 HE3 LYS 12 HE1 LYS 12 -11.111 -4.041 1.595
95 HZ1 LYS 12 HZ1 LYS 12 -9.877 -5.830 3.095
96 HZ2 LYS 12 HZ2 LYS 12 -8.713 -4.594 3.152
97 HZ3 LYS 12 HZ3 LYS 12 -9.210 -5.230 1.656
98 H LYS 13 HN LYS 13 -8.900 1.164 -0.594
99 HA LYS 13 HA LYS 13 -10.403 -0.334 -2.451
100 HB2 LYS 13 HB2 LYS 13 -9.709 2.614 -2.394
101 HB3 LYS 13 HB1 LYS 13 -10.926 1.899 -3.448
102 HG2 LYS 13 HG2 LYS 13 -10.998 1.654 -0.429
103 HG3 LYS 13 HG1 LYS 13 -11.831 2.933 -1.308
104 HD2 LYS 13 HD2 LYS 13 -13.060 1.158 -2.600
105 HD3 LYS 13 HD1 LYS 13 -12.315 -0.054 -1.563
106 HE2 LYS 13 HE2 LYS 13 -13.305 0.980 0.414
107 HE3 LYS 13 HE1 LYS 13 -14.054 2.216 -0.599
108 HZ1 LYS 13 HZ1 LYS 13 -15.738 0.710 -0.496
109 HZ2 LYS 13 HZ2 LYS 13 -14.701 -0.628 -0.348
110 HZ3 LYS 13 HZ3 LYS 13 -14.928 0.110 -1.860
111 H LEU 14 HN LEU 14 -7.383 1.450 -2.760
112 HA LEU 14 HA LEU 14 -7.124 1.200 -5.563
113 HB2 LEU 14 HB2 LEU 14 -5.071 1.491 -3.365
114 HB3 LEU 14 HB1 LEU 14 -4.674 1.563 -5.081
115 HG LEU 14 HG LEU 14 -6.722 3.355 -3.744
116 HD11 LEU 14 HD11 LEU 14 -4.788 4.164 -2.760
117 HD12 LEU 14 HD12 LEU 14 -4.763 5.083 -4.258
118 HD13 LEU 14 HD13 LEU 14 -3.754 3.649 -4.092
119 HD21 LEU 14 HD21 LEU 14 -5.565 3.157 -6.519
120 HD22 LEU 14 HD22 LEU 14 -6.074 4.732 -5.906
121 HD23 LEU 14 HD23 LEU 14 -7.240 3.419 -6.025
122 H LEU 15 HN LEU 15 -6.088 -0.853 -2.880
123 HA LEU 15 HA LEU 15 -4.658 -2.742 -4.433
124 HB2 LEU 15 HB2 LEU 15 -6.019 -2.949 -1.745
125 HB3 LEU 15 HB1 LEU 15 -5.026 -4.235 -2.432
126 HG LEU 15 HG LEU 15 -4.048 -1.389 -2.054
127 HD11 LEU 15 HD11 LEU 15 -2.950 -2.104 -0.032
128 HD12 LEU 15 HD12 LEU 15 -3.473 -3.772 -0.277
129 HD13 LEU 15 HD13 LEU 15 -4.658 -2.521 0.108
130 HD21 LEU 15 HD21 LEU 15 -1.797 -2.827 -2.078
131 HD22 LEU 15 HD22 LEU 15 -2.559 -2.332 -3.584
132 HD23 LEU 15 HD23 LEU 15 -2.796 -3.970 -2.974
133 H ASP 16 HN ASP 16 -8.024 -2.515 -3.430
134 HA ASP 16 HA ASP 16 -8.874 -5.048 -4.331
135 HB2 ASP 16 HB2 ASP 16 -10.345 -2.446 -3.917
136 HB3 ASP 16 HB1 ASP 16 -11.157 -3.928 -4.420
137 H ASP 17 HN ASP 17 -8.425 -1.994 -5.962
138 HA ASP 17 HA ASP 17 -9.846 -2.541 -8.331
139 HB2 ASP 17 HB2 ASP 17 -7.484 -0.735 -7.789
140 HB3 ASP 17 HB1 ASP 17 -8.306 -0.810 -9.344
141 H SER 18 HN SER 18 -7.155 -4.064 -7.073
142 HA SER 18 HA SER 18 -5.498 -4.513 -9.258
143 HB2 SER 18 HB2 SER 18 -4.951 -5.216 -6.944
144 HB3 SER 18 HB1 SER 18 -6.199 -6.449 -7.045
145 HG SER 18 HG SER 18 -4.074 -7.222 -7.548
146 H SER 19 HN SER 19 -8.522 -5.977 -8.395
147 HA SER 19 HA SER 19 -8.363 -8.013 -10.452
148 HB2 SER 19 HB2 SER 19 -10.680 -7.151 -8.716
149 HB3 SER 19 HB1 SER 19 -10.678 -8.551 -9.784
150 HG SER 19 HG SER 19 -9.352 -9.576 -8.461
151 H SER 20 HN SER 20 -9.113 -4.771 -10.382
152 HA SER 20 HA SER 20 -11.123 -4.764 -12.468
153 HB2 SER 20 HB2 SER 20 -10.974 -2.984 -10.706
154 HB3 SER 20 HB1 SER 20 -9.477 -2.441 -11.456
155 HG SER 20 HG SER 20 -12.087 -2.139 -12.265
156 H1 LYS 1 HN LYS 1 -10.839 -3.962 -14.589
157 HA LYS 1 HA LYS 1 -8.145 -4.454 -15.672
158 HB2 LYS 1 HB2 LYS 1 -10.870 -4.298 -16.971
159 HB3 LYS 1 HB1 LYS 1 -9.365 -4.457 -17.877
160 HG2 LYS 1 HG2 LYS 1 -8.840 -6.534 -16.652
161 HG3 LYS 1 HG1 LYS 1 -10.346 -6.379 -15.746
162 HD2 LYS 1 HD2 LYS 1 -11.647 -6.558 -17.805
163 HD3 LYS 1 HD1 LYS 1 -10.168 -6.612 -18.763
164 HE2 LYS 1 HE2 LYS 1 -11.043 -8.882 -18.434
165 HE3 LYS 1 HE1 LYS 1 -9.504 -8.696 -17.594
166 HZ1 LYS 1 HZ1 LYS 1 -10.575 -9.391 -15.794
167 HZ2 LYS 1 HZ2 LYS 1 -12.098 -9.236 -16.530
168 HZ3 LYS 1 HZ3 LYS 1 -11.377 -7.896 -15.776
169 H ASN 2 HN ASN 2 -9.528 -1.935 -14.388
170 HA ASN 2 HA ASN 2 -9.539 0.046 -16.362
171 HB2 ASN 2 HB2 ASN 2 -9.164 1.627 -14.382
172 HB3 ASN 2 HB1 ASN 2 -10.604 0.618 -14.343
173 HD21 ASN 2 HD21 ASN 2 -7.136 0.020 -13.475
174 HD22 ASN 2 HD22 ASN 2 -7.498 -0.602 -11.941
175 HA PRO 3 HA PRO 3 -5.300 0.932 -17.320
176 HB2 PRO 3 HB2 PRO 3 -5.856 3.802 -16.651
177 HB3 PRO 3 HB1 PRO 3 -5.189 3.103 -18.139
178 HG2 PRO 3 HG2 PRO 3 -7.690 3.982 -18.047
179 HG3 PRO 3 HG1 PRO 3 -7.269 2.516 -18.952
180 HD2 PRO 3 HD2 PRO 3 -8.647 2.767 -16.303
181 HD3 PRO 3 HD1 PRO 3 -8.898 1.594 -17.613
182 H GLU 4 HN GLU 4 -6.663 2.095 -14.324
183 HA GLU 4 HA GLU 4 -4.319 2.995 -13.039
184 HB2 GLU 4 HB2 GLU 4 -6.881 1.838 -11.923
185 HB3 GLU 4 HB1 GLU 4 -5.607 2.539 -10.926
186 HG2 GLU 4 HG2 GLU 4 -5.826 4.675 -12.098
187 HG3 GLU 4 HG1 GLU 4 -7.043 3.985 -13.170
188 H ALA 5 HN ALA 5 -5.264 -0.109 -14.000
189 HA ALA 5 HA ALA 5 -4.248 -1.755 -11.976
190 HB1 ALA 5 HB1 ALA 5 -4.444 -2.131 -14.969
191 HB2 ALA 5 HB2 ALA 5 -5.514 -2.775 -13.725
192 HB3 ALA 5 HB3 ALA 5 -3.874 -3.402 -13.888
193 H GLU 6 HN GLU 6 -2.623 0.103 -14.463
194 HA GLU 6 HA GLU 6 -0.114 -1.190 -14.415
195 HB2 GLU 6 HB2 GLU 6 -0.901 1.673 -14.995
196 HB3 GLU 6 HB1 GLU 6 0.740 1.061 -15.208
197 HG2 GLU 6 HG2 GLU 6 -0.055 -0.614 -16.799
198 HG3 GLU 6 HG1 GLU 6 -1.724 -0.108 -16.535
199 H GLU 7 HN GLU 7 -1.471 1.425 -12.450
200 HA GLU 7 HA GLU 7 0.888 1.976 -10.975
201 HB2 GLU 7 HB2 GLU 7 -1.042 3.530 -11.074
202 HB3 GLU 7 HB1 GLU 7 -1.998 2.380 -10.142
203 HG2 GLU 7 HG2 GLU 7 -1.098 4.077 -8.638
204 HG3 GLU 7 HG1 GLU 7 -0.313 2.539 -8.295
205 H ILE 8 HN ILE 8 -1.798 -0.254 -10.525
206 HA ILE 8 HA ILE 8 -1.176 -1.112 -7.893
207 HB ILE 8 HB ILE 8 -2.450 -2.742 -10.107
208 HG12 ILE 8 HG12 ILE 8 -3.618 -0.621 -9.914
209 HG13 ILE 8 HG11 ILE 8 -4.593 -1.866 -9.152
210 HG21 ILE 8 HG21 ILE 8 -2.558 -2.868 -7.083
211 HG22 ILE 8 HG22 ILE 8 -1.878 -4.081 -8.169
212 HG23 ILE 8 HG23 ILE 8 -3.613 -3.785 -8.149
213 HD11 ILE 8 HD11 ILE 8 -3.387 -1.126 -6.956
214 HD12 ILE 8 HD12 ILE 8 -4.674 -0.111 -7.606
215 HD13 ILE 8 HD13 ILE 8 -2.990 0.330 -7.869
216 H THR 9 HN THR 9 -0.139 -2.290 -11.073
217 HA THR 9 HA THR 9 1.292 -4.541 -10.176
218 HB THR 9 HB THR 9 1.788 -2.760 -12.577
219 HG1 THR 9 HG1 THR 9 0.150 -3.774 -13.363
220 HG21 THR 9 HG21 THR 9 2.848 -4.924 -13.452
221 HG22 THR 9 HG22 THR 9 2.874 -5.461 -11.772
222 HG23 THR 9 HG23 THR 9 3.775 -4.022 -12.251
223 H ARG 10 HN ARG 10 2.267 -1.154 -10.627
224 HA ARG 10 HA ARG 10 5.008 -1.495 -10.040
225 HB2 ARG 10 HB2 ARG 10 3.906 0.562 -11.039
226 HB3 ARG 10 HB1 ARG 10 3.365 0.964 -9.408
227 HG2 ARG 10 HG2 ARG 10 5.752 0.868 -8.649
228 HG3 ARG 10 HG1 ARG 10 6.236 0.624 -10.327
229 HD2 ARG 10 HD2 ARG 10 6.448 2.966 -9.944
230 HD3 ARG 10 HD1 ARG 10 4.961 2.769 -10.862
231 HE ARG 10 HE ARG 10 3.738 3.394 -8.960
232 HH11 ARG 10 HH11 ARG 10 3.623 4.346 -6.897
233 HH12 ARG 10 HH12 ARG 10 5.051 4.453 -5.922
234 HH21 ARG 10 HH21 ARG 10 7.094 2.937 -8.278
235 HH22 ARG 10 HH22 ARG 10 7.015 3.655 -6.705
236 H CYS 11 HN CYS 11 2.197 -0.826 -7.987
237 HA CYS 11 HA CYS 11 3.547 -0.430 -5.553
238 HB2 CYS 11 HB2 CYS 11 1.124 0.037 -5.989
239 HB3 CYS 11 HB1 CYS 11 0.830 -1.700 -5.918
240 H LYS 12 HN LYS 12 2.371 -3.368 -7.122
241 HA LYS 12 HA LYS 12 2.911 -5.170 -5.029
242 HB2 LYS 12 HB2 LYS 12 1.552 -5.729 -7.028
243 HB3 LYS 12 HB1 LYS 12 3.016 -5.694 -8.011
244 HG2 LYS 12 HG2 LYS 12 3.988 -7.503 -6.655
245 HG3 LYS 12 HG1 LYS 12 2.546 -7.526 -5.639
246 HD2 LYS 12 HD2 LYS 12 1.172 -8.118 -7.602
247 HD3 LYS 12 HD1 LYS 12 2.615 -8.099 -8.616
248 HE2 LYS 12 HE2 LYS 12 2.117 -10.400 -7.963
249 HE3 LYS 12 HE1 LYS 12 3.608 -9.877 -7.178
250 HZ1 LYS 12 HZ1 LYS 12 1.630 -11.009 -5.856
251 HZ2 LYS 12 HZ2 LYS 12 1.117 -9.394 -5.744
252 HZ3 LYS 12 HZ3 LYS 12 2.644 -9.846 -5.150
253 H LYS 13 HN LYS 13 4.914 -3.987 -7.695
254 HA LYS 13 HA LYS 13 7.149 -5.639 -7.227
255 HB2 LYS 13 HB2 LYS 13 6.962 -2.860 -8.419
256 HB3 LYS 13 HB1 LYS 13 8.396 -3.880 -8.496
257 HG2 LYS 13 HG2 LYS 13 5.695 -4.736 -9.567
258 HG3 LYS 13 HG1 LYS 13 6.919 -3.952 -10.563
259 HD2 LYS 13 HD2 LYS 13 8.512 -5.801 -9.946
260 HD3 LYS 13 HD1 LYS 13 7.185 -6.610 -9.121
261 HE2 LYS 13 HE2 LYS 13 5.899 -6.691 -11.193
262 HE3 LYS 13 HE1 LYS 13 7.207 -5.867 -12.045
263 HZ1 LYS 13 HZ1 LYS 13 7.769 -8.017 -12.455
264 HZ2 LYS 13 HZ2 LYS 13 7.088 -8.602 -11.012
265 HZ3 LYS 13 HZ3 LYS 13 8.592 -7.811 -10.986
266 H LEU 14 HN LEU 14 6.227 -2.501 -5.921
267 HA LEU 14 HA LEU 14 8.627 -2.000 -4.516
268 HB2 LEU 14 HB2 LEU 14 5.779 -1.115 -4.031
269 HB3 LEU 14 HB1 LEU 14 7.154 -0.500 -3.116
270 HG LEU 14 HG LEU 14 6.949 -0.378 -6.139
271 HD11 LEU 14 HD11 LEU 14 5.259 1.103 -5.548
272 HD12 LEU 14 HD12 LEU 14 6.646 2.180 -5.503
273 HD13 LEU 14 HD13 LEU 14 6.003 1.516 -4.004
274 HD21 LEU 14 HD21 LEU 14 8.916 0.649 -4.099
275 HD22 LEU 14 HD22 LEU 14 8.683 1.540 -5.604
276 HD23 LEU 14 HD23 LEU 14 9.228 -0.132 -5.651
277 H LEU 15 HN LEU 15 5.649 -3.677 -3.623
278 HA LEU 15 HA LEU 15 6.331 -4.153 -0.917
279 HB2 LEU 15 HB2 LEU 15 4.478 -5.595 -2.817
280 HB3 LEU 15 HB1 LEU 15 4.603 -5.984 -1.102
281 HG LEU 15 HG LEU 15 3.989 -3.204 -2.150
282 HD11 LEU 15 HD11 LEU 15 1.656 -3.633 -1.682
283 HD12 LEU 15 HD12 LEU 15 2.030 -5.239 -1.056
284 HD13 LEU 15 HD13 LEU 15 2.240 -4.889 -2.773
285 HD21 LEU 15 HD21 LEU 15 2.981 -3.169 0.318
286 HD22 LEU 15 HD22 LEU 15 4.696 -2.876 0.055
287 HD23 LEU 15 HD23 LEU 15 4.145 -4.466 0.584
288 H ASP 16 HN ASP 16 6.888 -5.959 -3.883
289 HA ASP 16 HA ASP 16 7.918 -8.313 -2.723
290 HB2 ASP 16 HB2 ASP 16 8.350 -7.033 -5.421
291 HB3 ASP 16 HB1 ASP 16 9.050 -8.590 -4.978
292 H ASP 17 HN ASP 17 9.376 -5.233 -3.496
293 HA ASP 17 HA ASP 17 12.090 -5.963 -3.295
294 HB2 ASP 17 HB2 ASP 17 10.684 -3.329 -2.819
295 HB3 ASP 17 HB1 ASP 17 12.434 -3.512 -2.766
296 H SER 18 HN SER 18 9.696 -6.019 -0.963
297 HA SER 18 HA SER 18 10.918 -5.057 1.339
298 HB2 SER 18 HB2 SER 18 8.559 -5.819 1.228
299 HB3 SER 18 HB1 SER 18 9.125 -7.479 1.093
300 HG SER 18 HG SER 18 8.616 -6.900 3.252
301 H SER 19 HN SER 19 11.372 -8.044 -0.368
302 HA SER 19 HA SER 19 13.032 -9.222 1.695
303 HB2 SER 19 HB2 SER 19 12.526 -10.083 -1.158
304 HB3 SER 19 HB1 SER 19 13.420 -11.018 0.036
305 HG SER 19 HG SER 19 11.605 -11.466 1.061
306 H SER 20 HN SER 20 13.473 -6.985 -0.742
307 HA SER 20 HA SER 20 16.233 -7.600 -1.365
308 HB2 SER 20 HB2 SER 20 14.705 -6.450 -2.983
309 HB3 SER 20 HB1 SER 20 14.707 -5.049 -1.919
310 HG SER 20 HG SER 20 16.604 -5.928 -3.670
311 H1 LYS 1 HN LYS 1 18.042 -6.339 -0.775
312 HA LYS 1 HA LYS 1 17.783 -5.070 1.867
313 HB2 LYS 1 HB2 LYS 1 20.162 -6.116 0.324
314 HB3 LYS 1 HB1 LYS 1 20.300 -5.238 1.850
315 HG2 LYS 1 HG2 LYS 1 18.868 -6.916 2.952
316 HG3 LYS 1 HG1 LYS 1 18.725 -7.796 1.430
317 HD2 LYS 1 HD2 LYS 1 21.136 -8.192 1.391
318 HD3 LYS 1 HD1 LYS 1 21.338 -7.237 2.859
319 HE2 LYS 1 HE2 LYS 1 21.312 -9.631 3.405
320 HE3 LYS 1 HE1 LYS 1 19.894 -8.835 4.085
321 HZ1 LYS 1 HZ1 LYS 1 18.714 -10.367 3.019
322 HZ2 LYS 1 HZ2 LYS 1 20.049 -10.890 2.107
323 HZ3 LYS 1 HZ3 LYS 1 19.117 -9.571 1.576
324 H ASN 2 HN ASN 2 17.363 -4.012 -1.059
325 HA ASN 2 HA ASN 2 19.241 -1.976 -1.438
326 HB2 ASN 2 HB2 ASN 2 17.387 -0.901 -2.833
327 HB3 ASN 2 HB1 ASN 2 17.915 -2.510 -3.311
328 HD21 ASN 2 HD21 ASN 2 15.615 -1.321 -0.774
329 HD22 ASN 2 HD22 ASN 2 14.350 -2.332 -1.272
330 HA PRO 3 HA PRO 3 18.305 1.209 1.503
331 HB2 PRO 3 HB2 PRO 3 18.105 3.132 -0.791
332 HB3 PRO 3 HB1 PRO 3 19.118 3.216 0.664
333 HG2 PRO 3 HG2 PRO 3 20.163 2.586 -1.696
334 HG3 PRO 3 HG1 PRO 3 20.719 1.798 -0.206
335 HD2 PRO 3 HD2 PRO 3 18.944 0.715 -2.366
336 HD3 PRO 3 HD1 PRO 3 20.169 -0.105 -1.376
337 H GLU 4 HN GLU 4 16.267 0.797 -1.299
338 HA GLU 4 HA GLU 4 14.143 2.522 -0.614
339 HB2 GLU 4 HB2 GLU 4 14.186 -0.032 -2.231
340 HB3 GLU 4 HB1 GLU 4 12.775 1.014 -2.093
341 HG2 GLU 4 HG2 GLU 4 14.052 2.892 -3.022
342 HG3 GLU 4 HG1 GLU 4 15.493 1.881 -3.116
343 H ALA 5 HN ALA 5 15.251 -0.318 0.853
344 HA ALA 5 HA ALA 5 12.905 -1.549 1.755
345 HB1 ALA 5 HB1 ALA 5 15.659 -1.322 2.980
346 HB2 ALA 5 HB2 ALA 5 14.977 -2.687 2.095
347 HB3 ALA 5 HB3 ALA 5 14.374 -2.288 3.704
348 H GLU 6 HN GLU 6 14.530 1.367 2.824
349 HA GLU 6 HA GLU 6 13.334 1.637 5.366
350 HB2 GLU 6 HB2 GLU 6 14.333 3.689 3.377
351 HB3 GLU 6 HB1 GLU 6 13.793 4.101 5.005
352 HG2 GLU 6 HG2 GLU 6 15.490 2.641 5.978
353 HG3 GLU 6 HG1 GLU 6 15.989 2.108 4.373
354 H GLU 7 HN GLU 7 12.282 2.630 2.132
355 HA GLU 7 HA GLU 7 9.957 4.028 2.965
356 HB2 GLU 7 HB2 GLU 7 10.963 4.283 0.710
357 HB3 GLU 7 HB1 GLU 7 10.477 2.633 0.323
358 HG2 GLU 7 HG2 GLU 7 8.815 4.173 -0.573
359 HG3 GLU 7 HG1 GLU 7 8.093 3.285 0.763
360 H ILE 8 HN ILE 8 10.618 0.673 2.128
361 HA ILE 8 HA ILE 8 7.942 -0.267 2.069
362 HB ILE 8 HB ILE 8 10.408 -1.802 2.932
363 HG12 ILE 8 HG12 ILE 8 10.853 -0.736 0.798
364 HG13 ILE 8 HG11 ILE 8 10.528 -2.439 0.512
365 HG21 ILE 8 HG21 ILE 8 7.744 -2.626 1.748
366 HG22 ILE 8 HG22 ILE 8 8.338 -3.001 3.367
367 HG23 ILE 8 HG23 ILE 8 9.119 -3.706 1.954
368 HD11 ILE 8 HD11 ILE 8 8.068 -1.652 0.120
369 HD12 ILE 8 HD12 ILE 8 9.264 -1.375 -1.145
370 HD13 ILE 8 HD13 ILE 8 8.793 -0.056 -0.080
371 H THR 9 HN THR 9 10.292 0.013 4.709
372 HA THR 9 HA THR 9 8.755 -1.249 6.698
373 HB THR 9 HB THR 9 10.785 0.985 6.942
374 HG1 THR 9 HG1 THR 9 12.153 -0.553 6.649
375 HG21 THR 9 HG21 THR 9 11.001 -0.022 9.295
376 HG22 THR 9 HG22 THR 9 9.445 -0.792 8.983
377 HG23 THR 9 HG23 THR 9 9.575 0.967 8.984
378 H ARG 10 HN ARG 10 8.901 2.138 5.633
379 HA ARG 10 HA ARG 10 7.162 3.195 7.591
380 HB2 ARG 10 HB2 ARG 10 8.643 4.501 5.995
381 HB3 ARG 10 HB1 ARG 10 7.431 4.196 4.751
382 HG2 ARG 10 HG2 ARG 10 5.708 5.230 6.251
383 HG3 ARG 10 HG1 ARG 10 6.999 5.648 7.378
384 HD2 ARG 10 HD2 ARG 10 6.669 7.594 6.042
385 HD3 ARG 10 HD1 ARG 10 8.133 6.835 5.426
386 HE ARG 10 HE ARG 10 6.985 6.286 3.456
387 HH11 ARG 10 HH11 ARG 10 5.223 6.553 2.043
388 HH12 ARG 10 HH12 ARG 10 3.729 7.187 2.647
389 HH21 ARG 10 HH21 ARG 10 4.889 7.548 5.894
390 HH22 ARG 10 HH22 ARG 10 3.540 7.750 4.828
391 H CYS 11 HN CYS 11 6.575 1.808 4.383
392 HA CYS 11 HA CYS 11 3.822 2.333 4.200
393 HB2 CYS 11 HB2 CYS 11 5.305 1.502 2.351
394 HB3 CYS 11 HB1 CYS 11 5.256 -0.089 3.106
395 H LYS 12 HN LYS 12 5.598 -0.358 5.641
396 HA LYS 12 HA LYS 12 3.392 -1.994 6.264
397 HB2 LYS 12 HB2 LYS 12 5.757 -2.747 6.361
398 HB3 LYS 12 HB1 LYS 12 6.001 -1.731 7.783
399 HG2 LYS 12 HG2 LYS 12 4.269 -2.986 8.998
400 HG3 LYS 12 HG1 LYS 12 3.981 -3.986 7.573
401 HD2 LYS 12 HD2 LYS 12 6.311 -4.791 7.664
402 HD3 LYS 12 HD1 LYS 12 6.600 -3.792 9.089
403 HE2 LYS 12 HE2 LYS 12 6.111 -6.085 9.785
404 HE3 LYS 12 HE1 LYS 12 4.794 -5.023 10.282
405 HZ1 LYS 12 HZ1 LYS 12 4.390 -7.279 8.978
406 HZ2 LYS 12 HZ2 LYS 12 4.579 -6.242 7.645
407 HZ3 LYS 12 HZ3 LYS 12 3.374 -5.932 8.801
408 H LYS 13 HN LYS 13 4.969 0.623 8.046
409 HA LYS 13 HA LYS 13 3.497 0.368 10.438
410 HB2 LYS 13 HB2 LYS 13 4.787 2.794 9.162
411 HB3 LYS 13 HB1 LYS 13 4.182 2.742 10.817
412 HG2 LYS 13 HG2 LYS 13 6.278 0.828 9.757
413 HG3 LYS 13 HG1 LYS 13 6.679 2.334 10.577
414 HD2 LYS 13 HD2 LYS 13 5.344 1.540 12.556
415 HD3 LYS 13 HD1 LYS 13 5.132 -0.004 11.739
416 HE2 LYS 13 HE2 LYS 13 7.545 -0.330 11.645
417 HE3 LYS 13 HE1 LYS 13 7.797 1.227 12.438
418 HZ1 LYS 13 HZ1 LYS 13 7.813 -0.136 14.241
419 HZ2 LYS 13 HZ2 LYS 13 6.772 -1.282 13.539
420 HZ3 LYS 13 HZ3 LYS 13 6.146 0.169 14.163
421 H LEU 14 HN LEU 14 2.878 2.157 7.471
422 HA LEU 14 HA LEU 14 0.596 3.553 8.384
423 HB2 LEU 14 HB2 LEU 14 1.444 2.649 5.628
424 HB3 LEU 14 HB1 LEU 14 0.051 3.691 5.921
425 HG LEU 14 HG LEU 14 2.866 4.325 6.857
426 HD11 LEU 14 HD11 LEU 14 3.146 4.518 4.563
427 HD12 LEU 14 HD12 LEU 14 2.537 6.126 4.931
428 HD13 LEU 14 HD13 LEU 14 1.453 4.908 4.271
429 HD21 LEU 14 HD21 LEU 14 0.223 5.762 6.956
430 HD22 LEU 14 HD22 LEU 14 1.703 6.709 6.804
431 HD23 LEU 14 HD23 LEU 14 1.479 5.648 8.190
432 H LEU 15 HN LEU 15 1.003 0.394 6.852
433 HA LEU 15 HA LEU 15 -1.752 -0.205 6.583
434 HB2 LEU 15 HB2 LEU 15 0.690 -1.970 6.796
435 HB3 LEU 15 HB1 LEU 15 -0.927 -2.585 6.449
436 HG LEU 15 HG LEU 15 0.424 -0.415 4.818
437 HD11 LEU 15 HD11 LEU 15 1.008 -2.101 3.194
438 HD12 LEU 15 HD12 LEU 15 0.190 -3.353 4.130
439 HD13 LEU 15 HD13 LEU 15 1.658 -2.600 4.756
440 HD21 LEU 15 HD21 LEU 15 -1.348 -1.450 3.116
441 HD22 LEU 15 HD22 LEU 15 -1.844 -0.236 4.290
442 HD23 LEU 15 HD23 LEU 15 -2.163 -1.943 4.601
443 H ASP 16 HN ASP 16 0.584 -0.762 9.156
444 HA ASP 16 HA ASP 16 -1.030 -2.379 10.808
445 HB2 ASP 16 HB2 ASP 16 1.285 -0.541 11.418
446 HB3 ASP 16 HB1 ASP 16 0.501 -1.530 12.648
447 H ASP 17 HN ASP 17 -0.799 1.082 10.395
448 HA ASP 17 HA ASP 17 -2.194 1.898 12.702
449 HB2 ASP 17 HB2 ASP 17 -1.869 3.199 9.995
450 HB3 ASP 17 HB1 ASP 17 -2.692 3.975 11.342
451 H SER 18 HN SER 18 -3.254 0.074 10.114
452 HA SER 18 HA SER 18 -5.806 1.025 9.563
453 HB2 SER 18 HB2 SER 18 -4.737 -0.830 8.329
454 HB3 SER 18 HB1 SER 18 -4.908 -1.855 9.748
455 HG SER 18 HG SER 18 -6.621 -2.138 8.250
456 H SER 19 HN SER 19 -4.626 -0.820 12.257
457 HA SER 19 HA SER 19 -7.263 -1.329 13.343
458 HB2 SER 19 HB2 SER 19 -4.525 -1.694 14.571
459 HB3 SER 19 HB1 SER 19 -6.038 -2.238 15.289
460 HG SER 19 HG SER 19 -6.154 -3.812 13.871
461 H SER 20 HN SER 20 -5.155 1.259 13.314
462 HA SER 20 HA SER 20 -5.828 2.361 15.907
463 HB2 SER 20 HB2 SER 20 -3.656 2.831 14.742
464 HB3 SER 20 HB1 SER 20 -4.556 3.763 13.551
465 HG SER 20 HG SER 20 -3.804 4.422 16.078
466 H2 ZBR 100 HA3 TBS 100 -1.265 1.792 -2.092
467 H4 ZBR 100 HC3 TBS 100 0.896 2.358 1.600
468 H6 ZBR 100 HB3 TBS 100 2.947 0.877 -1.899
469 H7 ZBR 100 HB11 TBS 100 1.479 1.518 -4.166
470 H7A ZBR 100 HB12 TBS 100 -0.187 0.956 -3.992
471 H8 ZBR 100 HA11 TBS 100 -1.960 3.475 -0.052
472 H8A ZBR 100 HA12 TBS 100 -1.381 2.889 1.510
473 H9 ZBR 100 HC11 TBS 100 3.619 2.536 1.049
474 H9A ZBR 100 HC12 TBS 100 4.136 1.142 0.097
Start of MODEL 14
1 H1 LYS 1 HN LYS 1 -7.309 4.962 16.830
2 HA LYS 1 HA LYS 1 -9.371 5.331 14.852
3 HB2 LYS 1 HB2 LYS 1 -8.887 6.603 17.552
4 HB3 LYS 1 HB1 LYS 1 -10.289 6.932 16.534
5 HG2 LYS 1 HG2 LYS 1 -10.948 4.588 16.602
6 HG3 LYS 1 HG1 LYS 1 -9.487 4.171 17.494
7 HD2 LYS 1 HD2 LYS 1 -11.203 4.325 19.143
8 HD3 LYS 1 HD1 LYS 1 -10.282 5.821 19.282
9 HE2 LYS 1 HE2 LYS 1 -11.947 7.059 18.061
10 HE3 LYS 1 HE1 LYS 1 -12.796 5.583 17.609
11 HZ1 LYS 1 HZ1 LYS 1 -13.820 5.504 19.564
12 HZ2 LYS 1 HZ2 LYS 1 -13.365 7.132 19.735
13 HZ3 LYS 1 HZ3 LYS 1 -12.424 5.905 20.439
14 H ASN 2 HN ASN 2 -6.402 6.372 14.738
15 HA ASN 2 HA ASN 2 -6.491 9.154 14.623
16 HB2 ASN 2 HB2 ASN 2 -4.407 8.985 13.321
17 HB3 ASN 2 HB1 ASN 2 -4.393 7.839 14.641
18 HD21 ASN 2 HD21 ASN 2 -2.767 7.439 12.340
19 HD22 ASN 2 HD22 ASN 2 -3.360 6.092 11.494
20 HA PRO 3 HA PRO 3 -8.776 10.039 10.945
21 HB2 PRO 3 HB2 PRO 3 -7.404 12.268 10.013
22 HB3 PRO 3 HB1 PRO 3 -8.553 12.299 11.364
23 HG2 PRO 3 HG2 PRO 3 -5.567 12.156 11.424
24 HG3 PRO 3 HG1 PRO 3 -6.669 13.105 12.439
25 HD2 PRO 3 HD2 PRO 3 -5.553 10.848 13.328
26 HD3 PRO 3 HD1 PRO 3 -7.198 11.293 13.799
27 H GLU 4 HN GLU 4 -5.342 9.550 10.753
28 HA GLU 4 HA GLU 4 -5.041 9.526 7.946
29 HB2 GLU 4 HB2 GLU 4 -3.469 8.202 10.160
30 HB3 GLU 4 HB1 GLU 4 -2.993 8.124 8.465
31 HG2 GLU 4 HG2 GLU 4 -1.793 9.986 9.241
32 HG3 GLU 4 HG1 GLU 4 -3.209 10.738 8.525
33 H ALA 5 HN ALA 5 -6.677 7.438 10.012
34 HA ALA 5 HA ALA 5 -6.272 4.925 8.851
35 HB1 ALA 5 HB1 ALA 5 -8.487 4.349 9.770
36 HB2 ALA 5 HB2 ALA 5 -8.797 6.058 10.076
37 HB3 ALA 5 HB3 ALA 5 -7.506 5.227 10.945
38 H GLU 6 HN GLU 6 -8.014 7.708 7.727
39 HA GLU 6 HA GLU 6 -9.786 6.499 5.902
40 HB2 GLU 6 HB2 GLU 6 -8.388 9.186 5.821
41 HB3 GLU 6 HB1 GLU 6 -9.680 8.714 4.717
42 HG2 GLU 6 HG2 GLU 6 -9.942 8.723 7.735
43 HG3 GLU 6 HG1 GLU 6 -10.490 10.035 6.692
44 H GLU 7 HN GLU 7 -6.369 7.340 5.663
45 HA GLU 7 HA GLU 7 -6.071 6.956 2.887
46 HB2 GLU 7 HB2 GLU 7 -4.353 8.061 4.266
47 HB3 GLU 7 HB1 GLU 7 -4.044 6.538 5.101
48 HG2 GLU 7 HG2 GLU 7 -2.383 6.907 3.322
49 HG3 GLU 7 HG1 GLU 7 -3.366 5.498 2.954
50 H ILE 8 HN ILE 8 -5.893 4.728 5.621
51 HA ILE 8 HA ILE 8 -4.950 2.456 4.215
52 HB ILE 8 HB ILE 8 -6.537 2.840 6.757
53 HG12 ILE 8 HG12 ILE 8 -4.493 2.017 7.785
54 HG13 ILE 8 HG11 ILE 8 -3.814 1.624 6.207
55 HG21 ILE 8 HG21 ILE 8 -5.904 0.270 5.303
56 HG22 ILE 8 HG22 ILE 8 -7.433 0.780 6.018
57 HG23 ILE 8 HG23 ILE 8 -6.094 0.303 7.055
58 HD11 ILE 8 HD11 ILE 8 -3.588 3.906 5.613
59 HD12 ILE 8 HD12 ILE 8 -3.055 3.833 7.293
60 HD13 ILE 8 HD13 ILE 8 -4.665 4.436 6.906
61 H THR 9 HN THR 9 -8.224 3.692 4.841
62 HA THR 9 HA THR 9 -9.656 1.535 3.714
63 HB THR 9 HB THR 9 -10.367 4.477 3.838
64 HG1 THR 9 HG1 THR 9 -10.113 2.604 5.688
65 HG21 THR 9 HG21 THR 9 -12.717 3.567 3.683
66 HG22 THR 9 HG22 THR 9 -12.014 2.010 3.248
67 HG23 THR 9 HG23 THR 9 -11.774 3.411 2.202
68 H ARG 10 HN ARG 10 -8.339 4.508 2.283
69 HA ARG 10 HA ARG 10 -9.348 4.114 -0.339
70 HB2 ARG 10 HB2 ARG 10 -8.453 6.275 0.468
71 HB3 ARG 10 HB1 ARG 10 -6.835 5.570 0.512
72 HG2 ARG 10 HG2 ARG 10 -6.891 5.162 -1.882
73 HG3 ARG 10 HG1 ARG 10 -8.566 5.709 -1.974
74 HD2 ARG 10 HD2 ARG 10 -7.142 7.530 -2.692
75 HD3 ARG 10 HD1 ARG 10 -7.813 7.943 -1.117
76 HE ARG 10 HE ARG 10 -5.320 6.656 -0.737
77 HH11 ARG 10 HH11 ARG 10 -3.510 7.935 -0.266
78 HH12 ARG 10 HH12 ARG 10 -3.523 9.623 -0.636
79 HH21 ARG 10 HH21 ARG 10 -6.723 9.576 -1.969
80 HH22 ARG 10 HH22 ARG 10 -5.341 10.553 -1.602
81 H CYS 11 HN CYS 11 -6.344 3.128 1.266
82 HA CYS 11 HA CYS 11 -4.954 2.104 -0.928
83 HB2 CYS 11 HB2 CYS 11 -4.152 2.353 1.483
84 HB3 CYS 11 HB1 CYS 11 -4.970 0.829 1.810
85 H LYS 12 HN LYS 12 -7.376 0.567 1.160
86 HA LYS 12 HA LYS 12 -7.276 -2.006 -0.007
87 HB2 LYS 12 HB2 LYS 12 -9.501 -0.548 1.433
88 HB3 LYS 12 HB1 LYS 12 -9.582 -2.248 0.970
89 HG2 LYS 12 HG2 LYS 12 -7.545 -2.706 2.288
90 HG3 LYS 12 HG1 LYS 12 -7.472 -1.008 2.761
91 HD2 LYS 12 HD2 LYS 12 -9.695 -1.216 3.829
92 HD3 LYS 12 HD1 LYS 12 -9.744 -2.920 3.375
93 HE2 LYS 12 HE2 LYS 12 -7.708 -3.339 4.708
94 HE3 LYS 12 HE1 LYS 12 -7.660 -1.635 5.163
95 HZ1 LYS 12 HZ1 LYS 12 -10.020 -2.032 5.999
96 HZ2 LYS 12 HZ2 LYS 12 -8.741 -2.661 6.924
97 HZ3 LYS 12 HZ3 LYS 12 -9.648 -3.684 5.914
98 H LYS 13 HN LYS 13 -9.173 0.889 -0.760
99 HA LYS 13 HA LYS 13 -10.870 -0.252 -2.705
100 HB2 LYS 13 HB2 LYS 13 -11.233 1.981 -1.696
101 HB3 LYS 13 HB1 LYS 13 -9.827 2.586 -2.572
102 HG2 LYS 13 HG2 LYS 13 -10.899 2.032 -4.715
103 HG3 LYS 13 HG1 LYS 13 -12.295 1.379 -3.858
104 HD2 LYS 13 HD2 LYS 13 -12.715 3.594 -2.859
105 HD3 LYS 13 HD1 LYS 13 -11.324 4.249 -3.724
106 HE2 LYS 13 HE2 LYS 13 -12.387 3.665 -5.875
107 HE3 LYS 13 HE1 LYS 13 -13.780 3.017 -5.008
108 HZ1 LYS 13 HZ1 LYS 13 -13.569 5.548 -5.858
109 HZ2 LYS 13 HZ2 LYS 13 -13.024 5.702 -4.256
110 HZ3 LYS 13 HZ3 LYS 13 -14.563 5.054 -4.575
111 H LEU 14 HN LEU 14 -7.657 1.229 -2.943
112 HA LEU 14 HA LEU 14 -7.445 1.159 -5.755
113 HB2 LEU 14 HB2 LEU 14 -5.387 1.136 -3.547
114 HB3 LEU 14 HB1 LEU 14 -4.940 1.185 -5.247
115 HG LEU 14 HG LEU 14 -6.883 3.176 -4.043
116 HD11 LEU 14 HD11 LEU 14 -4.912 3.548 -2.766
117 HD12 LEU 14 HD12 LEU 14 -4.818 4.721 -4.077
118 HD13 LEU 14 HD13 LEU 14 -3.859 3.241 -4.146
119 HD21 LEU 14 HD21 LEU 14 -5.836 4.519 -6.031
120 HD22 LEU 14 HD22 LEU 14 -6.999 3.266 -6.413
121 HD23 LEU 14 HD23 LEU 14 -5.275 2.954 -6.606
122 H LEU 15 HN LEU 15 -6.572 -1.191 -3.277
123 HA LEU 15 HA LEU 15 -5.342 -3.061 -5.008
124 HB2 LEU 15 HB2 LEU 15 -6.731 -3.424 -2.342
125 HB3 LEU 15 HB1 LEU 15 -5.811 -4.687 -3.155
126 HG LEU 15 HG LEU 15 -4.677 -1.970 -2.434
127 HD11 LEU 15 HD11 LEU 15 -5.132 -3.066 -0.359
128 HD12 LEU 15 HD12 LEU 15 -3.419 -3.333 -0.688
129 HD13 LEU 15 HD13 LEU 15 -4.584 -4.622 -0.988
130 HD21 LEU 15 HD21 LEU 15 -3.274 -2.771 -4.113
131 HD22 LEU 15 HD22 LEU 15 -3.574 -4.464 -3.719
132 HD23 LEU 15 HD23 LEU 15 -2.512 -3.493 -2.704
133 H ASP 16 HN ASP 16 -8.673 -2.623 -3.959
134 HA ASP 16 HA ASP 16 -9.738 -4.984 -5.079
135 HB2 ASP 16 HB2 ASP 16 -10.976 -2.300 -4.462
136 HB3 ASP 16 HB1 ASP 16 -11.908 -3.666 -5.070
137 H ASP 17 HN ASP 17 -9.106 -1.797 -6.426
138 HA ASP 17 HA ASP 17 -10.486 -2.139 -8.871
139 HB2 ASP 17 HB2 ASP 17 -8.175 -0.368 -8.078
140 HB3 ASP 17 HB1 ASP 17 -8.918 -0.314 -9.676
141 H SER 18 HN SER 18 -7.734 -3.665 -7.669
142 HA SER 18 HA SER 18 -6.107 -3.927 -9.917
143 HB2 SER 18 HB2 SER 18 -5.179 -5.890 -8.814
144 HB3 SER 18 HB1 SER 18 -5.492 -4.647 -7.608
145 HG SER 18 HG SER 18 -6.505 -6.287 -6.713
146 H SER 19 HN SER 19 -9.127 -5.340 -9.162
147 HA SER 19 HA SER 19 -8.925 -7.443 -11.154
148 HB2 SER 19 HB2 SER 19 -10.233 -7.738 -9.037
149 HB3 SER 19 HB1 SER 19 -11.373 -6.540 -9.643
150 HG SER 19 HG SER 19 -12.117 -7.952 -11.039
151 H SER 20 HN SER 20 -9.840 -4.197 -11.042
152 HA SER 20 HA SER 20 -11.657 -4.259 -13.291
153 HB2 SER 20 HB2 SER 20 -11.753 -1.874 -13.078
154 HB3 SER 20 HB1 SER 20 -11.753 -2.540 -11.448
155 HG SER 20 HG SER 20 -10.043 -1.372 -11.146
156 H1 LYS 1 HN LYS 1 -11.247 -3.645 -15.390
157 HA LYS 1 HA LYS 1 -8.554 -4.007 -16.324
158 HB2 LYS 1 HB2 LYS 1 -11.111 -3.255 -17.751
159 HB3 LYS 1 HB1 LYS 1 -9.569 -3.543 -18.555
160 HG2 LYS 1 HG2 LYS 1 -9.500 -5.825 -17.711
161 HG3 LYS 1 HG1 LYS 1 -10.956 -5.553 -16.759
162 HD2 LYS 1 HD2 LYS 1 -11.697 -6.689 -18.721
163 HD3 LYS 1 HD1 LYS 1 -12.122 -4.997 -18.969
164 HE2 LYS 1 HE2 LYS 1 -10.239 -4.645 -20.420
165 HE3 LYS 1 HE1 LYS 1 -9.546 -6.211 -20.002
166 HZ1 LYS 1 HZ1 LYS 1 -10.867 -7.247 -21.438
167 HZ2 LYS 1 HZ2 LYS 1 -11.124 -5.714 -22.124
168 HZ3 LYS 1 HZ3 LYS 1 -12.236 -6.345 -21.004
169 H ASN 2 HN ASN 2 -9.670 -1.543 -14.718
170 HA ASN 2 HA ASN 2 -9.375 0.713 -16.325
171 HB2 ASN 2 HB2 ASN 2 -9.114 1.958 -14.217
172 HB3 ASN 2 HB1 ASN 2 -10.369 0.750 -14.057
173 HD21 ASN 2 HD21 ASN 2 -9.004 1.782 -11.775
174 HD22 ASN 2 HD22 ASN 2 -8.063 0.535 -11.111
175 HA PRO 3 HA PRO 3 -5.029 0.977 -17.077
176 HB2 PRO 3 HB2 PRO 3 -4.661 3.726 -17.020
177 HB3 PRO 3 HB1 PRO 3 -5.391 2.850 -18.379
178 HG2 PRO 3 HG2 PRO 3 -6.724 4.328 -16.147
179 HG3 PRO 3 HG1 PRO 3 -7.119 4.307 -17.876
180 HD2 PRO 3 HD2 PRO 3 -8.519 2.877 -16.110
181 HD3 PRO 3 HD1 PRO 3 -8.218 2.263 -17.739
182 H GLU 4 HN GLU 4 -6.378 2.426 -14.229
183 HA GLU 4 HA GLU 4 -3.979 3.169 -12.928
184 HB2 GLU 4 HB2 GLU 4 -6.725 2.480 -11.883
185 HB3 GLU 4 HB1 GLU 4 -5.412 3.013 -10.839
186 HG2 GLU 4 HG2 GLU 4 -6.519 5.022 -11.334
187 HG3 GLU 4 HG1 GLU 4 -5.214 5.025 -12.509
188 H ALA 5 HN ALA 5 -5.235 0.155 -13.714
189 HA ALA 5 HA ALA 5 -4.504 -1.442 -11.534
190 HB1 ALA 5 HB1 ALA 5 -4.399 -3.290 -13.164
191 HB2 ALA 5 HB2 ALA 5 -4.453 -2.122 -14.484
192 HB3 ALA 5 HB3 ALA 5 -5.836 -2.296 -13.403
193 H GLU 6 HN GLU 6 -2.589 0.141 -13.958
194 HA GLU 6 HA GLU 6 -0.243 -1.415 -13.848
195 HB2 GLU 6 HB2 GLU 6 -0.640 1.546 -14.353
196 HB3 GLU 6 HB1 GLU 6 0.895 0.707 -14.583
197 HG2 GLU 6 HG2 GLU 6 -1.694 -0.076 -15.949
198 HG3 GLU 6 HG1 GLU 6 -0.446 0.924 -16.693
199 H GLU 7 HN GLU 7 -1.466 1.149 -11.763
200 HA GLU 7 HA GLU 7 0.882 1.572 -10.261
201 HB2 GLU 7 HB2 GLU 7 -1.046 3.110 -10.180
202 HB3 GLU 7 HB1 GLU 7 -2.010 1.856 -9.401
203 HG2 GLU 7 HG2 GLU 7 -1.111 3.421 -7.729
204 HG3 GLU 7 HG1 GLU 7 -0.428 1.819 -7.493
205 H ILE 8 HN ILE 8 -1.775 -0.729 -9.922
206 HA ILE 8 HA ILE 8 -1.048 -1.792 -7.399
207 HB ILE 8 HB ILE 8 -2.622 -2.857 -9.747
208 HG12 ILE 8 HG12 ILE 8 -4.480 -2.647 -8.194
209 HG13 ILE 8 HG11 ILE 8 -3.377 -2.273 -6.870
210 HG21 ILE 8 HG21 ILE 8 -1.744 -4.315 -7.255
211 HG22 ILE 8 HG22 ILE 8 -1.681 -4.868 -8.927
212 HG23 ILE 8 HG23 ILE 8 -3.228 -4.757 -8.096
213 HD11 ILE 8 HD11 ILE 8 -2.802 -0.167 -7.807
214 HD12 ILE 8 HD12 ILE 8 -4.552 -0.283 -7.989
215 HD13 ILE 8 HD13 ILE 8 -3.501 -0.584 -9.372
216 H THR 9 HN THR 9 -0.123 -2.672 -10.716
217 HA THR 9 HA THR 9 1.389 -4.969 -10.086
218 HB THR 9 HB THR 9 1.752 -2.972 -12.335
219 HG1 THR 9 HG1 THR 9 -0.132 -4.749 -11.788
220 HG21 THR 9 HG21 THR 9 2.857 -4.937 -13.460
221 HG22 THR 9 HG22 THR 9 2.837 -5.763 -11.904
222 HG23 THR 9 HG23 THR 9 3.768 -4.280 -12.102
223 H ARG 10 HN ARG 10 2.271 -1.532 -10.286
224 HA ARG 10 HA ARG 10 5.046 -1.852 -9.789
225 HB2 ARG 10 HB2 ARG 10 4.050 0.230 -10.678
226 HB3 ARG 10 HB1 ARG 10 3.270 0.505 -9.120
227 HG2 ARG 10 HG2 ARG 10 5.421 0.644 -8.006
228 HG3 ARG 10 HG1 ARG 10 6.264 0.210 -9.493
229 HD2 ARG 10 HD2 ARG 10 6.396 2.612 -9.237
230 HD3 ARG 10 HD1 ARG 10 5.289 2.261 -10.561
231 HE ARG 10 HE ARG 10 3.804 2.476 -8.158
232 HH11 ARG 10 HH11 ARG 10 2.671 4.397 -7.764
233 HH12 ARG 10 HH12 ARG 10 3.097 5.842 -8.611
234 HH21 ARG 10 HH21 ARG 10 5.668 4.355 -10.396
235 HH22 ARG 10 HH22 ARG 10 4.794 5.821 -10.099
236 H CYS 11 HN CYS 11 2.254 -1.371 -7.653
237 HA CYS 11 HA CYS 11 3.576 -1.024 -5.220
238 HB2 CYS 11 HB2 CYS 11 1.077 -0.873 -5.704
239 HB3 CYS 11 HB1 CYS 11 1.039 -2.627 -5.550
240 H LYS 12 HN LYS 12 2.668 -4.008 -6.916
241 HA LYS 12 HA LYS 12 3.523 -5.822 -4.914
242 HB2 LYS 12 HB2 LYS 12 3.256 -6.127 -7.910
243 HB3 LYS 12 HB1 LYS 12 3.621 -7.463 -6.818
244 HG2 LYS 12 HG2 LYS 12 1.538 -7.024 -5.576
245 HG3 LYS 12 HG1 LYS 12 1.166 -5.688 -6.666
246 HD2 LYS 12 HD2 LYS 12 1.152 -7.269 -8.577
247 HD3 LYS 12 HD1 LYS 12 1.477 -8.597 -7.461
248 HE2 LYS 12 HE2 LYS 12 -0.623 -8.115 -6.260
249 HE3 LYS 12 HE1 LYS 12 -0.949 -6.782 -7.368
250 HZ1 LYS 12 HZ1 LYS 12 -0.718 -8.536 -9.182
251 HZ2 LYS 12 HZ2 LYS 12 -2.136 -8.552 -8.247
252 HZ3 LYS 12 HZ3 LYS 12 -0.900 -9.677 -7.941
253 H LYS 13 HN LYS 13 5.176 -4.305 -7.649
254 HA LYS 13 HA LYS 13 7.599 -5.745 -7.493
255 HB2 LYS 13 HB2 LYS 13 6.970 -4.314 -9.414
256 HB3 LYS 13 HB1 LYS 13 7.180 -2.887 -8.399
257 HG2 LYS 13 HG2 LYS 13 9.541 -3.460 -8.044
258 HG3 LYS 13 HG1 LYS 13 9.345 -4.926 -9.004
259 HD2 LYS 13 HD2 LYS 13 8.738 -3.547 -10.965
260 HD3 LYS 13 HD1 LYS 13 8.957 -2.088 -9.998
261 HE2 LYS 13 HE2 LYS 13 11.322 -2.689 -9.620
262 HE3 LYS 13 HE1 LYS 13 11.103 -4.149 -10.584
263 HZ1 LYS 13 HZ1 LYS 13 11.910 -1.786 -11.565
264 HZ2 LYS 13 HZ2 LYS 13 10.241 -1.715 -11.876
265 HZ3 LYS 13 HZ3 LYS 13 11.168 -3.002 -12.486
266 H LEU 14 HN LEU 14 6.505 -2.769 -5.909
267 HA LEU 14 HA LEU 14 8.940 -2.132 -4.635
268 HB2 LEU 14 HB2 LEU 14 6.061 -1.513 -3.964
269 HB3 LEU 14 HB1 LEU 14 7.406 -0.877 -3.027
270 HG LEU 14 HG LEU 14 7.240 -0.540 -6.035
271 HD11 LEU 14 HD11 LEU 14 5.277 0.572 -5.309
272 HD12 LEU 14 HD12 LEU 14 6.487 1.851 -5.376
273 HD13 LEU 14 HD13 LEU 14 6.039 1.140 -3.824
274 HD21 LEU 14 HD21 LEU 14 8.660 1.535 -5.291
275 HD22 LEU 14 HD22 LEU 14 9.437 -0.037 -5.302
276 HD23 LEU 14 HD23 LEU 14 8.877 0.657 -3.781
277 H LEU 15 HN LEU 15 6.204 -4.109 -3.615
278 HA LEU 15 HA LEU 15 7.124 -4.628 -0.990
279 HB2 LEU 15 HB2 LEU 15 5.307 -6.220 -2.814
280 HB3 LEU 15 HB1 LEU 15 5.569 -6.587 -1.112
281 HG LEU 15 HG LEU 15 4.596 -3.900 -2.121
282 HD11 LEU 15 HD11 LEU 15 2.866 -5.471 -2.640
283 HD12 LEU 15 HD12 LEU 15 2.390 -4.688 -1.132
284 HD13 LEU 15 HD13 LEU 15 3.081 -6.310 -1.102
285 HD21 LEU 15 HD21 LEU 15 5.431 -3.459 0.005
286 HD22 LEU 15 HD22 LEU 15 5.127 -5.091 0.596
287 HD23 LEU 15 HD23 LEU 15 3.797 -3.949 0.425
288 H ASP 16 HN ASP 16 7.644 -6.265 -4.064
289 HA ASP 16 HA ASP 16 8.982 -8.542 -3.066
290 HB2 ASP 16 HB2 ASP 16 9.105 -7.129 -5.733
291 HB3 ASP 16 HB1 ASP 16 9.976 -8.625 -5.398
292 H ASP 17 HN ASP 17 10.084 -5.308 -3.895
293 HA ASP 17 HA ASP 17 12.866 -5.818 -3.771
294 HB2 ASP 17 HB2 ASP 17 11.243 -3.298 -3.431
295 HB3 ASP 17 HB1 ASP 17 13.004 -3.310 -3.368
296 H SER 18 HN SER 18 10.519 -5.850 -1.361
297 HA SER 18 HA SER 18 11.827 -4.717 0.824
298 HB2 SER 18 HB2 SER 18 10.334 -6.053 2.204
299 HB3 SER 18 HB1 SER 18 9.445 -5.473 0.801
300 HG SER 18 HG SER 18 9.003 -7.555 0.711
301 H SER 19 HN SER 19 12.355 -7.675 -0.823
302 HA SER 19 HA SER 19 13.958 -8.859 1.280
303 HB2 SER 19 HB2 SER 19 12.614 -10.242 -0.320
304 HB3 SER 19 HB1 SER 19 13.720 -9.738 -1.594
305 HG SER 19 HG SER 19 15.226 -10.995 -0.789
306 H SER 20 HN SER 20 14.431 -6.715 -1.288
307 HA SER 20 HA SER 20 17.244 -7.258 -1.688
308 HB2 SER 20 HB2 SER 20 17.225 -5.389 -3.198
309 HB3 SER 20 HB1 SER 20 15.743 -6.304 -3.467
310 HG SER 20 HG SER 20 14.743 -4.523 -3.016
311 H1 LYS 1 HN LYS 1 18.976 -6.096 -0.919
312 HA LYS 1 HA LYS 1 18.609 -4.758 1.595
313 HB2 LYS 1 HB2 LYS 1 21.050 -5.210 -0.128
314 HB3 LYS 1 HB1 LYS 1 21.084 -4.437 1.456
315 HG2 LYS 1 HG2 LYS 1 20.175 -6.434 2.506
316 HG3 LYS 1 HG1 LYS 1 19.968 -7.206 0.938
317 HD2 LYS 1 HD2 LYS 1 21.994 -8.112 1.811
318 HD3 LYS 1 HD1 LYS 1 22.493 -6.909 0.622
319 HE2 LYS 1 HE2 LYS 1 22.996 -5.298 2.330
320 HE3 LYS 1 HE1 LYS 1 22.231 -6.284 3.574
321 HZ1 LYS 1 HZ1 LYS 1 24.035 -7.542 3.775
322 HZ2 LYS 1 HZ2 LYS 1 24.852 -6.286 2.975
323 HZ3 LYS 1 HZ3 LYS 1 24.298 -7.636 2.103
324 H ASN 2 HN ASN 2 17.770 -3.663 -1.223
325 HA ASN 2 HA ASN 2 19.205 -1.316 -1.675
326 HB2 ASN 2 HB2 ASN 2 17.268 -0.601 -3.012
327 HB3 ASN 2 HB1 ASN 2 17.599 -2.297 -3.289
328 HD21 ASN 2 HD21 ASN 2 15.019 -1.231 -3.790
329 HD22 ASN 2 HD22 ASN 2 13.941 -1.864 -2.642
330 HA PRO 3 HA PRO 3 18.000 1.361 1.628
331 HB2 PRO 3 HB2 PRO 3 17.930 3.803 0.314
332 HB3 PRO 3 HB1 PRO 3 19.424 2.982 0.806
333 HG2 PRO 3 HG2 PRO 3 18.081 3.022 -1.865
334 HG3 PRO 3 HG1 PRO 3 19.805 3.157 -1.471
335 HD2 PRO 3 HD2 PRO 3 18.751 0.868 -2.362
336 HD3 PRO 3 HD1 PRO 3 20.053 0.867 -1.165
337 H GLU 4 HN GLU 4 16.107 1.254 -1.276
338 HA GLU 4 HA GLU 4 13.931 2.859 -0.460
339 HB2 GLU 4 HB2 GLU 4 14.153 0.603 -2.453
340 HB3 GLU 4 HB1 GLU 4 12.667 1.516 -2.206
341 HG2 GLU 4 HG2 GLU 4 13.690 2.673 -3.975
342 HG3 GLU 4 HG1 GLU 4 14.177 3.626 -2.582
343 H ALA 5 HN ALA 5 15.023 -0.121 0.647
344 HA ALA 5 HA ALA 5 12.665 -1.496 1.251
345 HB1 ALA 5 HB1 ALA 5 13.987 -2.609 3.014
346 HB2 ALA 5 HB2 ALA 5 15.258 -1.403 2.812
347 HB3 ALA 5 HB3 ALA 5 14.878 -2.513 1.496
348 H GLU 6 HN GLU 6 14.078 1.338 2.666
349 HA GLU 6 HA GLU 6 12.880 1.288 5.215
350 HB2 GLU 6 HB2 GLU 6 13.646 3.616 3.435
351 HB3 GLU 6 HB1 GLU 6 13.157 3.780 5.121
352 HG2 GLU 6 HG2 GLU 6 15.456 2.043 4.190
353 HG3 GLU 6 HG1 GLU 6 15.650 3.687 4.796
354 H GLU 7 HN GLU 7 11.666 2.285 2.059
355 HA GLU 7 HA GLU 7 9.306 3.562 2.939
356 HB2 GLU 7 HB2 GLU 7 10.152 3.791 0.639
357 HB3 GLU 7 HB1 GLU 7 9.832 2.081 0.348
358 HG2 GLU 7 HG2 GLU 7 7.999 3.456 -0.539
359 HG3 GLU 7 HG1 GLU 7 7.416 2.467 0.791
360 H ILE 8 HN ILE 8 10.062 0.192 2.187
361 HA ILE 8 HA ILE 8 7.431 -0.841 2.342
362 HB ILE 8 HB ILE 8 10.180 -2.039 2.713
363 HG12 ILE 8 HG12 ILE 8 9.617 -3.181 0.644
364 HG13 ILE 8 HG11 ILE 8 7.960 -2.589 0.722
365 HG21 ILE 8 HG21 ILE 8 7.489 -3.316 3.213
366 HG22 ILE 8 HG22 ILE 8 8.931 -3.370 4.224
367 HG23 ILE 8 HG23 ILE 8 8.881 -4.278 2.716
368 HD11 ILE 8 HD11 ILE 8 8.633 -0.348 0.303
369 HD12 ILE 8 HD12 ILE 8 9.564 -1.325 -0.833
370 HD13 ILE 8 HD13 ILE 8 10.327 -0.715 0.635
371 H THR 9 HN THR 9 9.954 -0.355 4.798
372 HA THR 9 HA THR 9 8.613 -1.578 6.958
373 HB THR 9 HB THR 9 10.566 0.737 6.960
374 HG1 THR 9 HG1 THR 9 10.810 -1.849 6.401
375 HG21 THR 9 HG21 THR 9 10.997 -0.081 9.311
376 HG22 THR 9 HG22 THR 9 9.552 -1.079 9.156
377 HG23 THR 9 HG23 THR 9 9.423 0.678 9.077
378 H ARG 10 HN ARG 10 8.577 1.753 5.726
379 HA ARG 10 HA ARG 10 6.897 2.856 7.726
380 HB2 ARG 10 HB2 ARG 10 8.229 4.231 6.164
381 HB3 ARG 10 HB1 ARG 10 7.196 3.702 4.835
382 HG2 ARG 10 HG2 ARG 10 5.252 4.715 5.870
383 HG3 ARG 10 HG1 ARG 10 6.181 5.126 7.312
384 HD2 ARG 10 HD2 ARG 10 6.016 7.111 5.939
385 HD3 ARG 10 HD1 ARG 10 7.675 6.527 5.863
386 HE ARG 10 HE ARG 10 6.204 5.396 3.720
387 HH11 ARG 10 HH11 ARG 10 6.462 6.289 1.654
388 HH12 ARG 10 HH12 ARG 10 7.104 7.883 1.473
389 HH21 ARG 10 HH21 ARG 10 7.469 8.407 4.880
390 HH22 ARG 10 HH22 ARG 10 7.672 9.085 3.299
391 H CYS 11 HN CYS 11 6.231 1.303 4.609
392 HA CYS 11 HA CYS 11 3.488 1.766 4.422
393 HB2 CYS 11 HB2 CYS 11 5.034 0.652 2.724
394 HB3 CYS 11 HB1 CYS 11 4.808 -0.832 3.643
395 H LYS 12 HN LYS 12 5.247 -0.806 6.125
396 HA LYS 12 HA LYS 12 2.979 -2.255 7.005
397 HB2 LYS 12 HB2 LYS 12 5.767 -2.012 8.158
398 HB3 LYS 12 HB1 LYS 12 4.553 -3.149 8.749
399 HG2 LYS 12 HG2 LYS 12 4.388 -4.151 6.500
400 HG3 LYS 12 HG1 LYS 12 5.603 -3.017 5.907
401 HD2 LYS 12 HD2 LYS 12 7.233 -3.923 7.539
402 HD3 LYS 12 HD1 LYS 12 6.017 -5.077 8.091
403 HE2 LYS 12 HE2 LYS 12 5.896 -6.054 5.836
404 HE3 LYS 12 HE1 LYS 12 7.093 -4.892 5.264
405 HZ1 LYS 12 HZ1 LYS 12 8.530 -5.817 7.146
406 HZ2 LYS 12 HZ2 LYS 12 8.336 -6.768 5.752
407 HZ3 LYS 12 HZ3 LYS 12 7.452 -7.125 7.159
408 H LYS 13 HN LYS 13 4.787 0.450 8.398
409 HA LYS 13 HA LYS 13 3.505 0.524 10.912
410 HB2 LYS 13 HB2 LYS 13 5.583 1.765 10.388
411 HB3 LYS 13 HB1 LYS 13 4.657 2.835 9.335
412 HG2 LYS 13 HG2 LYS 13 3.269 3.539 11.240
413 HG3 LYS 13 HG1 LYS 13 4.151 2.439 12.300
414 HD2 LYS 13 HD2 LYS 13 6.240 3.670 11.831
415 HD3 LYS 13 HD1 LYS 13 5.349 4.776 10.783
416 HE2 LYS 13 HE2 LYS 13 3.942 5.457 12.693
417 HE3 LYS 13 HE1 LYS 13 4.830 4.351 13.742
418 HZ1 LYS 13 HZ1 LYS 13 5.473 6.925 13.362
419 HZ2 LYS 13 HZ2 LYS 13 6.483 6.170 12.223
420 HZ3 LYS 13 HZ3 LYS 13 6.570 5.731 13.863
421 H LEU 14 HN LEU 14 2.728 2.051 7.810
422 HA LEU 14 HA LEU 14 0.550 3.601 8.714
423 HB2 LEU 14 HB2 LEU 14 1.246 2.435 6.016
424 HB3 LEU 14 HB1 LEU 14 -0.150 3.476 6.263
425 HG LEU 14 HG LEU 14 2.640 4.295 7.121
426 HD11 LEU 14 HD11 LEU 14 2.882 3.987 4.773
427 HD12 LEU 14 HD12 LEU 14 2.542 5.704 4.968
428 HD13 LEU 14 HD13 LEU 14 1.265 4.606 4.443
429 HD21 LEU 14 HD21 LEU 14 1.462 6.597 6.676
430 HD22 LEU 14 HD22 LEU 14 1.050 5.726 8.140
431 HD23 LEU 14 HD23 LEU 14 -0.035 5.675 6.752
432 H LEU 15 HN LEU 15 0.736 0.307 7.468
433 HA LEU 15 HA LEU 15 -2.051 -0.186 7.408
434 HB2 LEU 15 HB2 LEU 15 0.298 -2.072 7.715
435 HB3 LEU 15 HB1 LEU 15 -1.363 -2.593 7.444
436 HG LEU 15 HG LEU 15 0.136 -0.705 5.608
437 HD11 LEU 15 HD11 LEU 15 1.246 -2.820 5.454
438 HD12 LEU 15 HD12 LEU 15 0.152 -2.728 4.072
439 HD13 LEU 15 HD13 LEU 15 -0.287 -3.695 5.480
440 HD21 LEU 15 HD21 LEU 15 -2.104 -0.314 5.129
441 HD22 LEU 15 HD22 LEU 15 -2.614 -1.932 5.606
442 HD23 LEU 15 HD23 LEU 15 -1.808 -1.677 4.061
443 H ASP 16 HN ASP 16 0.391 -0.604 9.911
444 HA ASP 16 HA ASP 16 -1.216 -1.968 11.789
445 HB2 ASP 16 HB2 ASP 16 1.198 -0.181 12.112
446 HB3 ASP 16 HB1 ASP 16 0.434 -1.017 13.464
447 H ASP 17 HN ASP 17 -0.779 1.446 11.071
448 HA ASP 17 HA ASP 17 -2.130 2.488 13.330
449 HB2 ASP 17 HB2 ASP 17 -1.631 3.606 10.569
450 HB3 ASP 17 HB1 ASP 17 -2.431 4.523 11.844
451 H SER 18 HN SER 18 -3.271 0.697 10.709
452 HA SER 18 HA SER 18 -5.751 1.848 10.176
453 HB2 SER 18 HB2 SER 18 -6.399 -0.334 9.316
454 HB3 SER 18 HB1 SER 18 -4.721 -0.020 8.881
455 HG SER 18 HG SER 18 -4.496 -1.924 9.787
456 H SER 19 HN SER 19 -4.648 0.078 12.885
457 HA SER 19 HA SER 19 -7.300 -0.503 13.905
458 HB2 SER 19 HB2 SER 19 -5.356 -2.019 14.331
459 HB3 SER 19 HB1 SER 19 -4.656 -0.753 15.334
460 HG SER 19 HG SER 19 -6.112 -1.126 16.835
461 H SER 20 HN SER 20 -5.104 2.056 14.011
462 HA SER 20 HA SER 20 -5.986 3.182 16.526
463 HB2 SER 20 HB2 SER 20 -4.532 5.024 16.029
464 HB3 SER 20 HB1 SER 20 -3.692 3.549 15.558
465 HG SER 20 HG SER 20 -3.582 4.413 13.655
466 H2 ZBR 100 HA3 TBS 100 -1.351 0.990 -2.007
467 H4 ZBR 100 HC3 TBS 100 0.567 1.624 1.824
468 H6 ZBR 100 HB3 TBS 100 2.873 0.156 -1.541
469 H7 ZBR 100 HB11 TBS 100 1.490 0.752 -3.908
470 H7A ZBR 100 HB12 TBS 100 -0.154 0.109 -3.802
471 H8 ZBR 100 HA11 TBS 100 -2.185 2.684 0.014
472 H8A ZBR 100 HA12 TBS 100 -1.714 2.058 1.599
473 H9 ZBR 100 HC11 TBS 100 3.337 1.842 1.413
474 H9A ZBR 100 HC12 TBS 100 3.916 0.425 0.531
Start of MODEL 15
1 H1 LYS 1 HN LYS 1 -6.989 5.296 16.943
2 HA LYS 1 HA LYS 1 -9.121 5.775 15.092
3 HB2 LYS 1 HB2 LYS 1 -8.290 7.164 17.646
4 HB3 LYS 1 HB1 LYS 1 -9.730 7.595 16.724
5 HG2 LYS 1 HG2 LYS 1 -10.582 5.294 16.962
6 HG3 LYS 1 HG1 LYS 1 -9.141 4.854 17.880
7 HD2 LYS 1 HD2 LYS 1 -9.713 6.482 19.615
8 HD3 LYS 1 HD1 LYS 1 -11.117 7.010 18.687
9 HE2 LYS 1 HE2 LYS 1 -11.839 5.438 20.411
10 HE3 LYS 1 HE1 LYS 1 -12.029 4.691 18.825
11 HZ1 LYS 1 HZ1 LYS 1 -9.715 4.292 20.642
12 HZ2 LYS 1 HZ2 LYS 1 -9.938 3.549 19.130
13 HZ3 LYS 1 HZ3 LYS 1 -10.986 3.192 20.421
14 H ASN 2 HN ASN 2 -6.102 6.492 14.627
15 HA ASN 2 HA ASN 2 -5.935 9.254 14.295
16 HB2 ASN 2 HB2 ASN 2 -4.071 8.723 12.687
17 HB3 ASN 2 HB1 ASN 2 -3.936 7.888 14.231
18 HD21 ASN 2 HD21 ASN 2 -2.784 6.987 11.662
19 HD22 ASN 2 HD22 ASN 2 -3.508 5.494 11.317
20 HA PRO 3 HA PRO 3 -8.446 10.088 10.746
21 HB2 PRO 3 HB2 PRO 3 -6.973 12.118 9.562
22 HB3 PRO 3 HB1 PRO 3 -8.004 12.341 10.989
23 HG2 PRO 3 HG2 PRO 3 -5.044 11.947 10.837
24 HG3 PRO 3 HG1 PRO 3 -5.982 13.048 11.863
25 HD2 PRO 3 HD2 PRO 3 -4.977 10.750 12.817
26 HD3 PRO 3 HD1 PRO 3 -6.532 11.378 13.387
27 H GLU 4 HN GLU 4 -5.114 9.211 10.399
28 HA GLU 4 HA GLU 4 -4.969 9.024 7.575
29 HB2 GLU 4 HB2 GLU 4 -3.456 7.498 9.705
30 HB3 GLU 4 HB1 GLU 4 -3.031 7.538 7.997
31 HG2 GLU 4 HG2 GLU 4 -3.241 9.989 9.766
32 HG3 GLU 4 HG1 GLU 4 -1.729 9.177 9.365
33 H ALA 5 HN ALA 5 -6.724 7.241 9.850
34 HA ALA 5 HA ALA 5 -6.654 4.634 8.831
35 HB1 ALA 5 HB1 ALA 5 -8.689 4.266 10.028
36 HB2 ALA 5 HB2 ALA 5 -9.117 5.975 9.960
37 HB3 ALA 5 HB3 ALA 5 -7.774 5.442 10.971
38 H GLU 6 HN GLU 6 -8.513 7.479 7.818
39 HA GLU 6 HA GLU 6 -10.240 6.174 6.000
40 HB2 GLU 6 HB2 GLU 6 -9.159 8.988 6.164
41 HB3 GLU 6 HB1 GLU 6 -10.281 8.493 4.895
42 HG2 GLU 6 HG2 GLU 6 -11.583 9.420 6.698
43 HG3 GLU 6 HG1 GLU 6 -11.834 7.680 6.709
44 H GLU 7 HN GLU 7 -6.956 7.412 5.677
45 HA GLU 7 HA GLU 7 -6.733 7.126 2.877
46 HB2 GLU 7 HB2 GLU 7 -5.122 8.428 4.220
47 HB3 GLU 7 HB1 GLU 7 -4.566 6.939 4.986
48 HG2 GLU 7 HG2 GLU 7 -3.058 7.562 3.154
49 HG3 GLU 7 HG1 GLU 7 -3.887 6.061 2.763
50 H ILE 8 HN ILE 8 -6.200 4.913 5.566
51 HA ILE 8 HA ILE 8 -5.008 2.793 4.101
52 HB ILE 8 HB ILE 8 -6.817 2.581 6.531
53 HG12 ILE 8 HG12 ILE 8 -5.054 4.192 6.990
54 HG13 ILE 8 HG11 ILE 8 -4.651 2.691 7.805
55 HG21 ILE 8 HG21 ILE 8 -4.475 0.784 5.892
56 HG22 ILE 8 HG22 ILE 8 -6.025 0.481 5.128
57 HG23 ILE 8 HG23 ILE 8 -5.893 0.453 6.873
58 HD11 ILE 8 HD11 ILE 8 -3.313 2.151 5.617
59 HD12 ILE 8 HD12 ILE 8 -2.621 3.271 6.788
60 HD13 ILE 8 HD13 ILE 8 -3.413 3.889 5.343
61 H THR 9 HN THR 9 -8.396 3.572 4.782
62 HA THR 9 HA THR 9 -9.541 1.253 3.667
63 HB THR 9 HB THR 9 -10.638 4.072 3.790
64 HG1 THR 9 HG1 THR 9 -11.513 3.387 5.699
65 HG21 THR 9 HG21 THR 9 -11.927 1.397 3.221
66 HG22 THR 9 HG22 THR 9 -11.928 2.831 2.195
67 HG23 THR 9 HG23 THR 9 -12.846 2.823 3.701
68 H ARG 10 HN ARG 10 -8.640 4.359 2.206
69 HA ARG 10 HA ARG 10 -9.641 3.829 -0.390
70 HB2 ARG 10 HB2 ARG 10 -8.995 6.084 0.378
71 HB3 ARG 10 HB1 ARG 10 -7.307 5.576 0.413
72 HG2 ARG 10 HG2 ARG 10 -7.283 5.200 -1.959
73 HG3 ARG 10 HG1 ARG 10 -9.030 5.422 -2.072
74 HD2 ARG 10 HD2 ARG 10 -7.947 7.465 -2.810
75 HD3 ARG 10 HD1 ARG 10 -8.728 7.768 -1.262
76 HE ARG 10 HE ARG 10 -6.041 6.986 -0.813
77 HH11 ARG 10 HH11 ARG 10 -4.532 8.603 -0.303
78 HH12 ARG 10 HH12 ARG 10 -4.874 10.254 -0.680
79 HH21 ARG 10 HH21 ARG 10 -7.970 9.570 -2.080
80 HH22 ARG 10 HH22 ARG 10 -6.819 10.804 -1.688
81 H CYS 11 HN CYS 11 -6.500 3.218 1.132
82 HA CYS 11 HA CYS 11 -5.078 2.332 -1.106
83 HB2 CYS 11 HB2 CYS 11 -4.145 2.741 1.189
84 HB3 CYS 11 HB1 CYS 11 -4.858 1.211 1.694
85 H LYS 12 HN LYS 12 -7.193 0.563 1.117
86 HA LYS 12 HA LYS 12 -6.847 -2.003 -0.005
87 HB2 LYS 12 HB2 LYS 12 -7.899 -1.585 2.200
88 HB3 LYS 12 HB1 LYS 12 -9.294 -0.884 1.380
89 HG2 LYS 12 HG2 LYS 12 -9.731 -2.999 0.235
90 HG3 LYS 12 HG1 LYS 12 -8.286 -3.711 0.953
91 HD2 LYS 12 HD2 LYS 12 -9.248 -3.371 3.208
92 HD3 LYS 12 HD1 LYS 12 -10.704 -2.695 2.476
93 HE2 LYS 12 HE2 LYS 12 -9.652 -5.483 1.919
94 HE3 LYS 12 HE1 LYS 12 -10.939 -5.117 3.068
95 HZ1 LYS 12 HZ1 LYS 12 -12.405 -4.911 1.432
96 HZ2 LYS 12 HZ2 LYS 12 -11.241 -5.582 0.392
97 HZ3 LYS 12 HZ3 LYS 12 -11.390 -3.895 0.530
98 H LYS 13 HN LYS 13 -9.140 0.603 -0.714
99 HA LYS 13 HA LYS 13 -10.742 -0.781 -2.571
100 HB2 LYS 13 HB2 LYS 13 -11.348 1.410 -1.590
101 HB3 LYS 13 HB1 LYS 13 -10.062 2.169 -2.528
102 HG2 LYS 13 HG2 LYS 13 -11.136 1.426 -4.622
103 HG3 LYS 13 HG1 LYS 13 -12.412 0.643 -3.688
104 HD2 LYS 13 HD2 LYS 13 -13.076 2.810 -2.746
105 HD3 LYS 13 HD1 LYS 13 -11.773 3.605 -3.631
106 HE2 LYS 13 HE2 LYS 13 -13.898 3.855 -4.841
107 HE3 LYS 13 HE1 LYS 13 -12.780 2.854 -5.767
108 HZ1 LYS 13 HZ1 LYS 13 -14.286 1.254 -5.750
109 HZ2 LYS 13 HZ2 LYS 13 -15.334 2.195 -4.798
110 HZ3 LYS 13 HZ3 LYS 13 -14.195 1.173 -4.059
111 H LEU 14 HN LEU 14 -7.738 1.059 -2.961
112 HA LEU 14 HA LEU 14 -7.642 1.015 -5.773
113 HB2 LEU 14 HB2 LEU 14 -5.557 1.237 -3.609
114 HB3 LEU 14 HB1 LEU 14 -5.080 1.193 -5.304
115 HG LEU 14 HG LEU 14 -7.235 3.117 -4.412
116 HD11 LEU 14 HD11 LEU 14 -5.558 3.749 -2.887
117 HD12 LEU 14 HD12 LEU 14 -5.256 4.801 -4.265
118 HD13 LEU 14 HD13 LEU 14 -4.252 3.372 -4.008
119 HD21 LEU 14 HD21 LEU 14 -6.242 4.426 -6.313
120 HD22 LEU 14 HD22 LEU 14 -6.845 2.856 -6.823
121 HD23 LEU 14 HD23 LEU 14 -5.115 3.104 -6.596
122 H LEU 15 HN LEU 15 -6.445 -1.270 -3.354
123 HA LEU 15 HA LEU 15 -5.136 -3.006 -5.175
124 HB2 LEU 15 HB2 LEU 15 -6.359 -3.516 -2.452
125 HB3 LEU 15 HB1 LEU 15 -5.356 -4.676 -3.320
126 HG LEU 15 HG LEU 15 -4.457 -1.865 -2.632
127 HD11 LEU 15 HD11 LEU 15 -3.235 -2.791 -0.784
128 HD12 LEU 15 HD12 LEU 15 -3.662 -4.437 -1.251
129 HD13 LEU 15 HD13 LEU 15 -4.901 -3.347 -0.624
130 HD21 LEU 15 HD21 LEU 15 -2.175 -3.144 -2.993
131 HD22 LEU 15 HD22 LEU 15 -3.076 -2.571 -4.384
132 HD23 LEU 15 HD23 LEU 15 -3.168 -4.270 -3.920
133 H ASP 16 HN ASP 16 -8.424 -2.943 -3.871
134 HA ASP 16 HA ASP 16 -9.308 -5.352 -5.074
135 HB2 ASP 16 HB2 ASP 16 -10.781 -2.904 -4.106
136 HB3 ASP 16 HB1 ASP 16 -11.605 -4.322 -4.752
137 H ASP 17 HN ASP 17 -9.259 -2.003 -6.161
138 HA ASP 17 HA ASP 17 -10.794 -2.361 -8.510
139 HB2 ASP 17 HB2 ASP 17 -8.725 -0.303 -7.734
140 HB3 ASP 17 HB1 ASP 17 -9.620 -0.238 -9.251
141 H SER 18 HN SER 18 -7.749 -3.518 -7.680
142 HA SER 18 HA SER 18 -6.300 -3.305 -10.053
143 HB2 SER 18 HB2 SER 18 -4.975 -5.158 -9.226
144 HB3 SER 18 HB1 SER 18 -5.407 -4.117 -7.870
145 HG SER 18 HG SER 18 -6.178 -5.894 -7.057
146 H SER 19 HN SER 19 -9.034 -5.183 -9.284
147 HA SER 19 HA SER 19 -8.669 -7.128 -11.393
148 HB2 SER 19 HB2 SER 19 -9.898 -7.731 -9.342
149 HB3 SER 19 HB1 SER 19 -11.117 -6.520 -9.732
150 HG SER 19 HG SER 19 -11.959 -8.239 -10.680
151 H SER 20 HN SER 20 -9.873 -3.985 -11.139
152 HA SER 20 HA SER 20 -11.731 -4.114 -13.344
153 HB2 SER 20 HB2 SER 20 -11.958 -2.453 -11.498
154 HB3 SER 20 HB1 SER 20 -10.481 -1.675 -12.060
155 HG SER 20 HG SER 20 -11.688 -0.685 -13.454
156 H1 LYS 1 HN LYS 1 -11.455 -3.161 -15.398
157 HA LYS 1 HA LYS 1 -8.843 -3.520 -16.516
158 HB2 LYS 1 HB2 LYS 1 -11.421 -2.455 -17.680
159 HB3 LYS 1 HB1 LYS 1 -9.947 -2.688 -18.620
160 HG2 LYS 1 HG2 LYS 1 -9.934 -5.080 -18.006
161 HG3 LYS 1 HG1 LYS 1 -11.417 -4.847 -17.078
162 HD2 LYS 1 HD2 LYS 1 -12.612 -4.167 -19.107
163 HD3 LYS 1 HD1 LYS 1 -11.130 -4.318 -20.051
164 HE2 LYS 1 HE2 LYS 1 -12.507 -6.329 -20.328
165 HE3 LYS 1 HE1 LYS 1 -11.023 -6.729 -19.463
166 HZ1 LYS 1 HZ1 LYS 1 -13.640 -6.157 -18.184
167 HZ2 LYS 1 HZ2 LYS 1 -12.212 -6.619 -17.387
168 HZ3 LYS 1 HZ3 LYS 1 -12.997 -7.706 -18.431
169 H ASN 2 HN ASN 2 -9.705 -1.228 -14.546
170 HA ASN 2 HA ASN 2 -9.321 1.199 -15.863
171 HB2 ASN 2 HB2 ASN 2 -8.716 2.082 -13.581
172 HB3 ASN 2 HB1 ASN 2 -10.216 1.163 -13.616
173 HD21 ASN 2 HD21 ASN 2 -8.440 1.554 -11.271
174 HD22 ASN 2 HD22 ASN 2 -7.928 0.005 -10.812
175 HA PRO 3 HA PRO 3 -4.995 1.272 -16.787
176 HB2 PRO 3 HB2 PRO 3 -4.453 3.967 -16.406
177 HB3 PRO 3 HB1 PRO 3 -5.274 3.311 -17.836
178 HG2 PRO 3 HG2 PRO 3 -6.446 4.590 -15.402
179 HG3 PRO 3 HG1 PRO 3 -6.896 4.787 -17.107
180 HD2 PRO 3 HD2 PRO 3 -8.325 3.239 -15.444
181 HD3 PRO 3 HD1 PRO 3 -8.123 2.812 -17.152
182 H GLU 4 HN GLU 4 -6.173 2.412 -13.732
183 HA GLU 4 HA GLU 4 -3.707 2.907 -12.433
184 HB2 GLU 4 HB2 GLU 4 -6.367 2.025 -11.288
185 HB3 GLU 4 HB1 GLU 4 -5.009 2.631 -10.341
186 HG2 GLU 4 HG2 GLU 4 -6.374 4.174 -12.565
187 HG3 GLU 4 HG1 GLU 4 -6.701 4.397 -10.848
188 H ALA 5 HN ALA 5 -5.101 0.039 -13.562
189 HA ALA 5 HA ALA 5 -4.353 -1.853 -11.638
190 HB1 ALA 5 HB1 ALA 5 -4.572 -3.485 -13.367
191 HB2 ALA 5 HB2 ALA 5 -4.224 -2.299 -14.624
192 HB3 ALA 5 HB3 ALA 5 -5.748 -2.224 -13.739
193 H GLU 6 HN GLU 6 -2.482 -0.299 -14.217
194 HA GLU 6 HA GLU 6 -0.171 -1.909 -14.035
195 HB2 GLU 6 HB2 GLU 6 -0.637 0.939 -14.917
196 HB3 GLU 6 HB1 GLU 6 0.965 0.204 -14.961
197 HG2 GLU 6 HG2 GLU 6 -0.033 -0.115 -17.127
198 HG3 GLU 6 HG1 GLU 6 -0.040 -1.676 -16.319
199 H GLU 7 HN GLU 7 -1.239 0.912 -12.217
200 HA GLU 7 HA GLU 7 1.176 1.375 -10.823
201 HB2 GLU 7 HB2 GLU 7 -0.668 3.022 -10.905
202 HB3 GLU 7 HB1 GLU 7 -1.667 1.937 -9.937
203 HG2 GLU 7 HG2 GLU 7 -0.632 3.636 -8.502
204 HG3 GLU 7 HG1 GLU 7 0.008 2.047 -8.104
205 H ILE 8 HN ILE 8 -1.603 -0.706 -10.203
206 HA ILE 8 HA ILE 8 -0.917 -1.510 -7.569
207 HB ILE 8 HB ILE 8 -2.328 -3.154 -9.697
208 HG12 ILE 8 HG12 ILE 8 -3.415 -0.986 -9.524
209 HG13 ILE 8 HG11 ILE 8 -4.409 -2.167 -8.684
210 HG21 ILE 8 HG21 ILE 8 -2.894 -3.236 -6.732
211 HG22 ILE 8 HG22 ILE 8 -1.530 -4.142 -7.364
212 HG23 ILE 8 HG23 ILE 8 -3.146 -4.478 -7.946
213 HD11 ILE 8 HD11 ILE 8 -3.039 -1.427 -6.567
214 HD12 ILE 8 HD12 ILE 8 -4.344 -0.397 -7.151
215 HD13 ILE 8 HD13 ILE 8 -2.671 -0.001 -7.534
216 H THR 9 HN THR 9 -0.020 -2.816 -10.741
217 HA THR 9 HA THR 9 1.350 -5.101 -9.830
218 HB THR 9 HB THR 9 1.881 -3.388 -12.272
219 HG1 THR 9 HG1 THR 9 0.497 -4.795 -13.265
220 HG21 THR 9 HG21 THR 9 2.795 -6.153 -11.463
221 HG22 THR 9 HG22 THR 9 3.795 -4.773 -11.915
222 HG23 THR 9 HG23 THR 9 2.820 -5.592 -13.135
223 H ARG 10 HN ARG 10 2.451 -1.766 -10.383
224 HA ARG 10 HA ARG 10 5.190 -2.202 -9.811
225 HB2 ARG 10 HB2 ARG 10 4.347 -0.162 -10.912
226 HB3 ARG 10 HB1 ARG 10 3.548 0.307 -9.410
227 HG2 ARG 10 HG2 ARG 10 5.642 0.509 -8.258
228 HG3 ARG 10 HG1 ARG 10 6.523 -0.220 -9.602
229 HD2 ARG 10 HD2 ARG 10 6.826 2.189 -9.690
230 HD3 ARG 10 HD1 ARG 10 5.810 1.694 -11.039
231 HE ARG 10 HE ARG 10 4.164 2.390 -8.841
232 HH11 ARG 10 HH11 ARG 10 3.134 4.415 -8.882
233 HH12 ARG 10 HH12 ARG 10 3.729 5.667 -9.912
234 HH21 ARG 10 HH21 ARG 10 6.320 3.751 -11.187
235 HH22 ARG 10 HH22 ARG 10 5.533 5.294 -11.217
236 H CYS 11 HN CYS 11 2.437 -1.326 -7.753
237 HA CYS 11 HA CYS 11 3.793 -0.864 -5.351
238 HB2 CYS 11 HB2 CYS 11 1.354 -0.477 -5.790
239 HB3 CYS 11 HB1 CYS 11 1.106 -2.213 -5.634
240 H LYS 12 HN LYS 12 2.600 -3.894 -6.759
241 HA LYS 12 HA LYS 12 3.303 -5.591 -4.610
242 HB2 LYS 12 HB2 LYS 12 1.795 -6.260 -6.459
243 HB3 LYS 12 HB1 LYS 12 3.174 -6.259 -7.560
244 HG2 LYS 12 HG2 LYS 12 4.275 -7.996 -6.244
245 HG3 LYS 12 HG1 LYS 12 2.972 -7.958 -5.055
246 HD2 LYS 12 HD2 LYS 12 1.367 -8.649 -6.807
247 HD3 LYS 12 HD1 LYS 12 2.686 -8.721 -7.977
248 HE2 LYS 12 HE2 LYS 12 2.584 -10.338 -5.414
249 HE3 LYS 12 HE1 LYS 12 2.125 -10.957 -7.001
250 HZ1 LYS 12 HZ1 LYS 12 4.241 -11.248 -7.544
251 HZ2 LYS 12 HZ2 LYS 12 4.643 -10.934 -5.924
252 HZ3 LYS 12 HZ3 LYS 12 4.667 -9.677 -7.066
253 H LYS 13 HN LYS 13 5.082 -4.509 -7.473
254 HA LYS 13 HA LYS 13 7.368 -6.124 -7.140
255 HB2 LYS 13 HB2 LYS 13 6.866 -4.857 -9.207
256 HB3 LYS 13 HB1 LYS 13 7.202 -3.353 -8.347
257 HG2 LYS 13 HG2 LYS 13 9.507 -4.104 -7.905
258 HG3 LYS 13 HG1 LYS 13 9.172 -5.626 -8.731
259 HD2 LYS 13 HD2 LYS 13 8.729 -4.417 -10.820
260 HD3 LYS 13 HD1 LYS 13 9.009 -2.879 -10.001
261 HE2 LYS 13 HE2 LYS 13 11.028 -3.564 -11.217
262 HE3 LYS 13 HE1 LYS 13 11.325 -3.598 -9.479
263 HZ1 LYS 13 HZ1 LYS 13 11.898 -5.710 -9.699
264 HZ2 LYS 13 HZ2 LYS 13 11.473 -5.712 -11.344
265 HZ3 LYS 13 HZ3 LYS 13 10.310 -6.082 -10.162
266 H LEU 14 HN LEU 14 6.510 -2.944 -5.844
267 HA LEU 14 HA LEU 14 9.001 -2.343 -4.672
268 HB2 LEU 14 HB2 LEU 14 6.162 -1.498 -4.117
269 HB3 LEU 14 HB1 LEU 14 7.476 -0.932 -3.088
270 HG LEU 14 HG LEU 14 7.733 -0.683 -6.091
271 HD11 LEU 14 HD11 LEU 14 5.664 0.405 -5.849
272 HD12 LEU 14 HD12 LEU 14 6.818 1.722 -5.670
273 HD13 LEU 14 HD13 LEU 14 6.054 1.018 -4.242
274 HD21 LEU 14 HD21 LEU 14 9.070 1.316 -5.376
275 HD22 LEU 14 HD22 LEU 14 9.699 -0.181 -4.699
276 HD23 LEU 14 HD23 LEU 14 8.739 0.905 -3.696
277 H LEU 15 HN LEU 15 6.182 -4.079 -3.429
278 HA LEU 15 HA LEU 15 7.159 -4.433 -0.792
279 HB2 LEU 15 HB2 LEU 15 5.212 -6.070 -2.438
280 HB3 LEU 15 HB1 LEU 15 5.494 -6.304 -0.715
281 HG LEU 15 HG LEU 15 4.632 -3.667 -1.936
282 HD11 LEU 15 HD11 LEU 15 2.393 -4.162 -1.215
283 HD12 LEU 15 HD12 LEU 15 2.916 -5.646 -0.419
284 HD13 LEU 15 HD13 LEU 15 2.941 -5.533 -2.180
285 HD21 LEU 15 HD21 LEU 15 3.902 -3.418 0.591
286 HD22 LEU 15 HD22 LEU 15 5.572 -3.134 0.140
287 HD23 LEU 15 HD23 LEU 15 5.109 -4.671 0.870
288 H ASP 16 HN ASP 16 7.414 -6.398 -3.722
289 HA ASP 16 HA ASP 16 8.741 -8.600 -2.531
290 HB2 ASP 16 HB2 ASP 16 8.645 -7.586 -5.371
291 HB3 ASP 16 HB1 ASP 16 9.489 -9.063 -4.907
292 H ASP 17 HN ASP 17 9.889 -5.602 -3.969
293 HA ASP 17 HA ASP 17 12.647 -6.242 -3.987
294 HB2 ASP 17 HB2 ASP 17 11.179 -3.603 -3.952
295 HB3 ASP 17 HB1 ASP 17 12.933 -3.727 -4.066
296 H SER 18 HN SER 18 10.521 -5.745 -1.436
297 HA SER 18 HA SER 18 12.037 -4.306 0.411
298 HB2 SER 18 HB2 SER 18 10.615 -5.290 2.111
299 HB3 SER 18 HB1 SER 18 9.640 -4.949 0.682
300 HG SER 18 HG SER 18 9.160 -6.986 0.767
301 H SER 19 HN SER 19 12.427 -7.465 -0.803
302 HA SER 19 HA SER 19 14.054 -8.432 1.383
303 HB2 SER 19 HB2 SER 19 12.717 -10.005 0.036
304 HB3 SER 19 HB1 SER 19 13.660 -9.573 -1.387
305 HG SER 19 HG SER 19 14.766 -11.254 -0.650
306 H SER 20 HN SER 20 14.528 -6.542 -1.375
307 HA SER 20 HA SER 20 17.314 -7.180 -1.790
308 HB2 SER 20 HB2 SER 20 15.841 -6.332 -3.617
309 HB3 SER 20 HB1 SER 20 15.758 -4.782 -2.784
310 HG SER 20 HG SER 20 17.573 -4.354 -3.737
311 H1 LYS 1 HN LYS 1 19.089 -5.818 -1.344
312 HA LYS 1 HA LYS 1 18.932 -4.485 1.184
313 HB2 LYS 1 HB2 LYS 1 21.163 -4.747 -0.839
314 HB3 LYS 1 HB1 LYS 1 21.349 -3.953 0.726
315 HG2 LYS 1 HG2 LYS 1 20.667 -6.029 1.869
316 HG3 LYS 1 HG1 LYS 1 20.478 -6.829 0.308
317 HD2 LYS 1 HD2 LYS 1 22.859 -6.482 -0.182
318 HD3 LYS 1 HD1 LYS 1 23.063 -5.636 1.354
319 HE2 LYS 1 HE2 LYS 1 23.794 -7.957 1.596
320 HE3 LYS 1 HE1 LYS 1 22.334 -7.695 2.550
321 HZ1 LYS 1 HZ1 LYS 1 22.412 -8.862 -0.180
322 HZ2 LYS 1 HZ2 LYS 1 21.024 -8.644 0.775
323 HZ3 LYS 1 HZ3 LYS 1 22.226 -9.745 1.256
324 H ASN 2 HN ASN 2 17.657 -3.472 -1.497
325 HA ASN 2 HA ASN 2 18.806 -0.999 -2.088
326 HB2 ASN 2 HB2 ASN 2 16.538 -0.429 -3.030
327 HB3 ASN 2 HB1 ASN 2 17.179 -1.969 -3.590
328 HD21 ASN 2 HD21 ASN 2 14.316 -1.195 -3.420
329 HD22 ASN 2 HD22 ASN 2 13.600 -2.300 -2.352
330 HA PRO 3 HA PRO 3 17.746 1.543 1.376
331 HB2 PRO 3 HB2 PRO 3 17.323 3.969 0.102
332 HB3 PRO 3 HB1 PRO 3 18.927 3.286 0.428
333 HG2 PRO 3 HG2 PRO 3 17.320 3.224 -2.092
334 HG3 PRO 3 HG1 PRO 3 19.060 3.494 -1.870
335 HD2 PRO 3 HD2 PRO 3 18.094 1.122 -2.682
336 HD3 PRO 3 HD1 PRO 3 19.521 1.227 -1.638
337 H GLU 4 HN GLU 4 15.582 1.223 -1.311
338 HA GLU 4 HA GLU 4 13.365 2.668 -0.304
339 HB2 GLU 4 HB2 GLU 4 13.447 0.298 -2.184
340 HB3 GLU 4 HB1 GLU 4 12.044 1.328 -1.909
341 HG2 GLU 4 HG2 GLU 4 14.727 2.330 -2.897
342 HG3 GLU 4 HG1 GLU 4 13.354 1.975 -3.943
343 H ALA 5 HN ALA 5 14.840 -0.182 0.755
344 HA ALA 5 HA ALA 5 12.683 -1.749 1.621
345 HB1 ALA 5 HB1 ALA 5 14.243 -2.856 3.043
346 HB2 ALA 5 HB2 ALA 5 15.287 -1.436 3.121
347 HB3 ALA 5 HB3 ALA 5 15.159 -2.355 1.622
348 H GLU 6 HN GLU 6 14.266 1.054 3.098
349 HA GLU 6 HA GLU 6 13.011 0.919 5.622
350 HB2 GLU 6 HB2 GLU 6 14.157 3.197 4.007
351 HB3 GLU 6 HB1 GLU 6 13.459 3.450 5.607
352 HG2 GLU 6 HG2 GLU 6 15.824 3.115 5.900
353 HG3 GLU 6 HG1 GLU 6 15.018 1.659 6.467
354 H GLU 7 HN GLU 7 11.999 2.294 2.541
355 HA GLU 7 HA GLU 7 9.720 3.663 3.490
356 HB2 GLU 7 HB2 GLU 7 10.686 4.062 1.251
357 HB3 GLU 7 HB1 GLU 7 10.201 2.439 0.761
358 HG2 GLU 7 HG2 GLU 7 8.551 4.085 -0.007
359 HG3 GLU 7 HG1 GLU 7 7.827 3.025 1.194
360 H ILE 8 HN ILE 8 10.261 0.353 2.421
361 HA ILE 8 HA ILE 8 7.553 -0.490 2.349
362 HB ILE 8 HB ILE 8 9.983 -2.153 3.086
363 HG12 ILE 8 HG12 ILE 8 10.422 -0.975 1.003
364 HG13 ILE 8 HG11 ILE 8 10.049 -2.648 0.622
365 HG21 ILE 8 HG21 ILE 8 7.571 -3.133 1.556
366 HG22 ILE 8 HG22 ILE 8 7.474 -3.013 3.303
367 HG23 ILE 8 HG23 ILE 8 8.690 -4.035 2.564
368 HD11 ILE 8 HD11 ILE 8 7.585 -1.759 0.369
369 HD12 ILE 8 HD12 ILE 8 8.739 -1.488 -0.933
370 HD13 ILE 8 HD13 ILE 8 8.371 -0.191 0.199
371 H THR 9 HN THR 9 9.933 -0.414 4.973
372 HA THR 9 HA THR 9 8.395 -1.753 6.916
373 HB THR 9 HB THR 9 10.451 0.443 7.276
374 HG1 THR 9 HG1 THR 9 11.870 -1.240 7.441
375 HG21 THR 9 HG21 THR 9 9.173 -1.520 9.186
376 HG22 THR 9 HG22 THR 9 9.228 0.237 9.318
377 HG23 THR 9 HG23 THR 9 10.699 -0.710 9.537
378 H ARG 10 HN ARG 10 8.595 1.682 6.028
379 HA ARG 10 HA ARG 10 6.868 2.667 8.044
380 HB2 ARG 10 HB2 ARG 10 8.343 4.115 6.693
381 HB3 ARG 10 HB1 ARG 10 7.356 3.774 5.271
382 HG2 ARG 10 HG2 ARG 10 5.431 4.820 6.248
383 HG3 ARG 10 HG1 ARG 10 6.227 4.962 7.817
384 HD2 ARG 10 HD2 ARG 10 6.311 7.121 6.707
385 HD3 ARG 10 HD1 ARG 10 7.935 6.445 6.755
386 HE ARG 10 HE ARG 10 6.686 5.701 4.322
387 HH11 ARG 10 HH11 ARG 10 7.275 6.821 2.438
388 HH12 ARG 10 HH12 ARG 10 8.031 8.371 2.555
389 HH21 ARG 10 HH21 ARG 10 7.980 8.430 6.020
390 HH22 ARG 10 HH22 ARG 10 8.429 9.284 4.581
391 H CYS 11 HN CYS 11 6.267 1.486 4.756
392 HA CYS 11 HA CYS 11 3.544 2.093 4.545
393 HB2 CYS 11 HB2 CYS 11 5.024 1.195 2.726
394 HB3 CYS 11 HB1 CYS 11 4.892 -0.392 3.477
395 H LYS 12 HN LYS 12 5.160 -0.740 5.946
396 HA LYS 12 HA LYS 12 2.828 -2.201 6.590
397 HB2 LYS 12 HB2 LYS 12 5.107 -3.172 6.588
398 HB3 LYS 12 HB1 LYS 12 5.497 -2.214 8.017
399 HG2 LYS 12 HG2 LYS 12 3.730 -3.329 9.289
400 HG3 LYS 12 HG1 LYS 12 3.243 -4.236 7.858
401 HD2 LYS 12 HD2 LYS 12 5.476 -5.293 7.773
402 HD3 LYS 12 HD1 LYS 12 5.945 -4.403 9.222
403 HE2 LYS 12 HE2 LYS 12 3.593 -6.309 9.087
404 HE3 LYS 12 HE1 LYS 12 5.188 -6.746 9.702
405 HZ1 LYS 12 HZ1 LYS 12 4.764 -5.747 11.621
406 HZ2 LYS 12 HZ2 LYS 12 3.146 -5.601 11.125
407 HZ3 LYS 12 HZ3 LYS 12 4.236 -4.325 10.863
408 H LYS 13 HN LYS 13 4.687 0.220 8.381
409 HA LYS 13 HA LYS 13 3.307 0.036 10.830
410 HB2 LYS 13 HB2 LYS 13 5.450 1.241 10.545
411 HB3 LYS 13 HB1 LYS 13 4.613 2.476 9.603
412 HG2 LYS 13 HG2 LYS 13 3.167 2.984 11.539
413 HG3 LYS 13 HG1 LYS 13 3.985 1.735 12.476
414 HD2 LYS 13 HD2 LYS 13 6.109 2.939 12.275
415 HD3 LYS 13 HD1 LYS 13 5.332 4.169 11.276
416 HE2 LYS 13 HE2 LYS 13 5.504 4.944 13.602
417 HE3 LYS 13 HE1 LYS 13 3.814 4.723 13.150
418 HZ1 LYS 13 HZ1 LYS 13 3.600 3.308 14.815
419 HZ2 LYS 13 HZ2 LYS 13 5.238 3.492 15.228
420 HZ3 LYS 13 HZ3 LYS 13 4.766 2.290 14.122
421 H LEU 14 HN LEU 14 2.686 1.926 7.902
422 HA LEU 14 HA LEU 14 0.581 3.499 8.917
423 HB2 LEU 14 HB2 LEU 14 1.357 2.564 6.159
424 HB3 LEU 14 HB1 LEU 14 -0.102 3.522 6.399
425 HG LEU 14 HG LEU 14 2.506 4.475 7.595
426 HD11 LEU 14 HD11 LEU 14 3.261 4.236 5.392
427 HD12 LEU 14 HD12 LEU 14 2.628 5.879 5.384
428 HD13 LEU 14 HD13 LEU 14 1.676 4.561 4.694
429 HD21 LEU 14 HD21 LEU 14 1.406 6.679 7.184
430 HD22 LEU 14 HD22 LEU 14 0.410 5.639 8.194
431 HD23 LEU 14 HD23 LEU 14 0.022 5.841 6.487
432 H LEU 15 HN LEU 15 0.601 0.317 7.372
433 HA LEU 15 HA LEU 15 -2.213 -0.005 7.261
434 HB2 LEU 15 HB2 LEU 15 0.027 -2.040 7.401
435 HB3 LEU 15 HB1 LEU 15 -1.657 -2.440 7.075
436 HG LEU 15 HG LEU 15 -0.053 -0.468 5.427
437 HD11 LEU 15 HD11 LEU 15 0.247 -2.208 3.793
438 HD12 LEU 15 HD12 LEU 15 -0.765 -3.321 4.711
439 HD13 LEU 15 HD13 LEU 15 0.812 -2.843 5.339
440 HD21 LEU 15 HD21 LEU 15 -1.996 -1.185 3.780
441 HD22 LEU 15 HD22 LEU 15 -2.296 0.034 5.006
442 HD23 LEU 15 HD23 LEU 15 -2.834 -1.626 5.268
443 H ASP 16 HN ASP 16 0.199 -0.875 9.696
444 HA ASP 16 HA ASP 16 -1.572 -2.232 11.443
445 HB2 ASP 16 HB2 ASP 16 1.078 -0.866 11.898
446 HB3 ASP 16 HB1 ASP 16 0.210 -1.722 13.171
447 H ASP 17 HN ASP 17 -0.613 1.139 11.141
448 HA ASP 17 HA ASP 17 -1.834 2.074 13.519
449 HB2 ASP 17 HB2 ASP 17 -1.070 3.458 10.947
450 HB3 ASP 17 HB1 ASP 17 -1.755 4.313 12.326
451 H SER 18 HN SER 18 -3.178 0.842 10.697
452 HA SER 18 HA SER 18 -5.420 2.448 10.284
453 HB2 SER 18 HB2 SER 18 -6.385 0.536 9.150
454 HB3 SER 18 HB1 SER 18 -4.658 0.592 8.796
455 HG SER 18 HG SER 18 -4.642 -1.355 9.561
456 H SER 19 HN SER 19 -4.661 0.298 12.818
457 HA SER 19 HA SER 19 -7.382 -0.092 13.713
458 HB2 SER 19 HB2 SER 19 -5.664 -1.808 14.151
459 HB3 SER 19 HB1 SER 19 -4.778 -0.650 15.140
460 HG SER 19 HG SER 19 -6.005 -1.614 16.611
461 H SER 20 HN SER 20 -5.002 2.285 14.060
462 HA SER 20 HA SER 20 -5.886 3.327 16.604
463 HB2 SER 20 HB2 SER 20 -3.555 3.628 15.773
464 HB3 SER 20 HB1 SER 20 -4.178 4.669 14.496
465 HG SER 20 HG SER 20 -4.066 6.192 15.933
466 H2 ZBR 100 HA3 TBS 100 -1.240 1.300 -2.155
467 H4 ZBR 100 HC3 TBS 100 0.565 2.043 1.696
468 H6 ZBR 100 HB3 TBS 100 2.975 0.560 -1.569
469 H7 ZBR 100 HB11 TBS 100 1.668 1.109 -3.976
470 H7A ZBR 100 HB12 TBS 100 0.025 0.464 -3.924
471 H8 ZBR 100 HA11 TBS 100 -2.148 3.034 -0.206
472 H8A ZBR 100 HA12 TBS 100 -1.715 2.450 1.404
473 H9 ZBR 100 HC11 TBS 100 3.314 2.316 1.382
474 H9A ZBR 100 HC12 TBS 100 3.972 0.925 0.513
Start of MODEL 16
1 H1 LYS 1 HN LYS 1 -6.566 4.791 16.693
2 HA LYS 1 HA LYS 1 -8.784 5.196 14.838
3 HB2 LYS 1 HB2 LYS 1 -8.225 6.144 17.652
4 HB3 LYS 1 HB1 LYS 1 -9.631 6.656 16.717
5 HG2 LYS 1 HG2 LYS 1 -10.415 4.382 16.510
6 HG3 LYS 1 HG1 LYS 1 -8.932 3.753 17.225
7 HD2 LYS 1 HD2 LYS 1 -10.594 3.721 18.957
8 HD3 LYS 1 HD1 LYS 1 -9.515 5.066 19.319
9 HE2 LYS 1 HE2 LYS 1 -11.097 6.665 18.435
10 HE3 LYS 1 HE1 LYS 1 -12.125 5.377 17.806
11 HZ1 LYS 1 HZ1 LYS 1 -12.202 6.560 20.315
12 HZ2 LYS 1 HZ2 LYS 1 -11.651 4.971 20.552
13 HZ3 LYS 1 HZ3 LYS 1 -13.127 5.253 19.759
14 H ASN 2 HN ASN 2 -5.836 6.277 14.771
15 HA ASN 2 HA ASN 2 -6.069 9.075 14.894
16 HB2 ASN 2 HB2 ASN 2 -3.924 9.129 13.700
17 HB3 ASN 2 HB1 ASN 2 -3.896 7.963 15.015
18 HD21 ASN 2 HD21 ASN 2 -5.849 6.622 12.680
19 HD22 ASN 2 HD22 ASN 2 -4.690 5.710 11.844
20 HA PRO 3 HA PRO 3 -8.087 10.252 11.107
21 HB2 PRO 3 HB2 PRO 3 -5.811 12.133 10.589
22 HB3 PRO 3 HB1 PRO 3 -7.552 12.469 10.676
23 HG2 PRO 3 HG2 PRO 3 -5.927 13.173 12.652
24 HG3 PRO 3 HG1 PRO 3 -7.552 12.547 12.987
25 HD2 PRO 3 HD2 PRO 3 -4.905 11.161 13.253
26 HD3 PRO 3 HD1 PRO 3 -6.354 11.053 14.273
27 H GLU 4 HN GLU 4 -4.755 9.273 11.089
28 HA GLU 4 HA GLU 4 -4.240 9.207 8.320
29 HB2 GLU 4 HB2 GLU 4 -3.150 7.518 10.579
30 HB3 GLU 4 HB1 GLU 4 -2.520 7.484 8.933
31 HG2 GLU 4 HG2 GLU 4 -1.991 9.867 9.048
32 HG3 GLU 4 HG1 GLU 4 -2.700 9.970 10.659
33 H ALA 5 HN ALA 5 -6.332 7.344 10.246
34 HA ALA 5 HA ALA 5 -6.306 4.847 8.968
35 HB1 ALA 5 HB1 ALA 5 -7.546 5.432 11.086
36 HB2 ALA 5 HB2 ALA 5 -8.485 4.499 9.920
37 HB3 ALA 5 HB3 ALA 5 -8.753 6.234 10.079
38 H GLU 6 HN GLU 6 -7.586 7.928 7.975
39 HA GLU 6 HA GLU 6 -9.465 7.081 6.057
40 HB2 GLU 6 HB2 GLU 6 -7.731 9.556 6.207
41 HB3 GLU 6 HB1 GLU 6 -9.000 9.330 5.002
42 HG2 GLU 6 HG2 GLU 6 -10.674 9.083 6.767
43 HG3 GLU 6 HG1 GLU 6 -9.422 9.214 8.001
44 H GLU 7 HN GLU 7 -5.964 7.547 5.884
45 HA GLU 7 HA GLU 7 -5.696 7.246 3.091
46 HB2 GLU 7 HB2 GLU 7 -3.891 8.136 4.528
47 HB3 GLU 7 HB1 GLU 7 -3.701 6.545 5.262
48 HG2 GLU 7 HG2 GLU 7 -2.023 6.867 3.499
49 HG3 GLU 7 HG1 GLU 7 -3.145 5.596 3.029
50 H ILE 8 HN ILE 8 -5.761 4.922 5.739
51 HA ILE 8 HA ILE 8 -5.004 2.631 4.275
52 HB ILE 8 HB ILE 8 -6.595 3.067 6.803
53 HG12 ILE 8 HG12 ILE 8 -4.655 2.057 7.851
54 HG13 ILE 8 HG11 ILE 8 -3.984 1.607 6.283
55 HG21 ILE 8 HG21 ILE 8 -7.663 1.109 6.029
56 HG22 ILE 8 HG22 ILE 8 -6.359 0.484 7.033
57 HG23 ILE 8 HG23 ILE 8 -6.189 0.491 5.279
58 HD11 ILE 8 HD11 ILE 8 -3.551 3.880 5.703
59 HD12 ILE 8 HD12 ILE 8 -3.003 3.707 7.370
60 HD13 ILE 8 HD13 ILE 8 -4.548 4.484 7.032
61 H THR 9 HN THR 9 -8.175 4.117 4.874
62 HA THR 9 HA THR 9 -9.740 2.119 3.668
63 HB THR 9 HB THR 9 -10.210 5.108 3.842
64 HG1 THR 9 HG1 THR 9 -11.392 4.519 5.668
65 HG21 THR 9 HG21 THR 9 -11.993 2.799 3.068
66 HG22 THR 9 HG22 THR 9 -11.707 4.302 2.192
67 HG23 THR 9 HG23 THR 9 -12.647 4.316 3.684
68 H ARG 10 HN ARG 10 -8.183 5.009 2.320
69 HA ARG 10 HA ARG 10 -9.160 4.706 -0.321
70 HB2 ARG 10 HB2 ARG 10 -8.162 6.803 0.507
71 HB3 ARG 10 HB1 ARG 10 -6.590 6.010 0.613
72 HG2 ARG 10 HG2 ARG 10 -6.553 5.630 -1.779
73 HG3 ARG 10 HG1 ARG 10 -8.206 6.225 -1.942
74 HD2 ARG 10 HD2 ARG 10 -6.665 7.991 -2.592
75 HD3 ARG 10 HD1 ARG 10 -7.452 8.439 -1.083
76 HE ARG 10 HE ARG 10 -4.984 7.096 -0.563
77 HH11 ARG 10 HH11 ARG 10 -3.232 8.370 0.105
78 HH12 ARG 10 HH12 ARG 10 -3.264 10.082 -0.139
79 HH21 ARG 10 HH21 ARG 10 -6.375 10.073 -1.663
80 HH22 ARG 10 HH22 ARG 10 -5.040 11.047 -1.142
81 H CYS 11 HN CYS 11 -6.244 3.544 1.306
82 HA CYS 11 HA CYS 11 -4.903 2.444 -0.880
83 HB2 CYS 11 HB2 CYS 11 -4.085 2.691 1.522
84 HB3 CYS 11 HB1 CYS 11 -4.957 1.199 1.864
85 H LYS 12 HN LYS 12 -7.351 1.007 1.243
86 HA LYS 12 HA LYS 12 -7.322 -1.578 0.129
87 HB2 LYS 12 HB2 LYS 12 -8.417 -1.003 2.278
88 HB3 LYS 12 HB1 LYS 12 -9.657 -0.117 1.390
89 HG2 LYS 12 HG2 LYS 12 -10.313 -2.169 0.213
90 HG3 LYS 12 HG1 LYS 12 -9.041 -3.067 1.042
91 HD2 LYS 12 HD2 LYS 12 -10.099 -2.556 3.214
92 HD3 LYS 12 HD1 LYS 12 -11.379 -1.674 2.381
93 HE2 LYS 12 HE2 LYS 12 -12.019 -3.728 1.177
94 HE3 LYS 12 HE1 LYS 12 -10.733 -4.613 1.999
95 HZ1 LYS 12 HZ1 LYS 12 -11.964 -4.819 3.819
96 HZ2 LYS 12 HZ2 LYS 12 -13.289 -4.303 2.888
97 HZ3 LYS 12 HZ3 LYS 12 -12.412 -3.183 3.816
98 H LYS 13 HN LYS 13 -9.196 1.315 -0.694
99 HA LYS 13 HA LYS 13 -10.862 0.143 -2.637
100 HB2 LYS 13 HB2 LYS 13 -11.223 2.402 -1.685
101 HB3 LYS 13 HB1 LYS 13 -9.802 2.979 -2.557
102 HG2 LYS 13 HG2 LYS 13 -10.839 2.435 -4.695
103 HG3 LYS 13 HG1 LYS 13 -12.230 1.729 -3.874
104 HD2 LYS 13 HD2 LYS 13 -12.736 3.929 -2.855
105 HD3 LYS 13 HD1 LYS 13 -11.364 4.632 -3.712
106 HE2 LYS 13 HE2 LYS 13 -13.671 3.240 -5.097
107 HE3 LYS 13 HE1 LYS 13 -13.583 4.986 -4.860
108 HZ1 LYS 13 HZ1 LYS 13 -12.626 4.782 -6.905
109 HZ2 LYS 13 HZ2 LYS 13 -11.958 3.254 -6.580
110 HZ3 LYS 13 HZ3 LYS 13 -11.242 4.652 -5.933
111 H LEU 14 HN LEU 14 -7.642 1.607 -2.880
112 HA LEU 14 HA LEU 14 -7.404 1.465 -5.691
113 HB2 LEU 14 HB2 LEU 14 -5.358 1.464 -3.470
114 HB3 LEU 14 HB1 LEU 14 -4.911 1.513 -5.173
115 HG LEU 14 HG LEU 14 -6.810 3.497 -3.882
116 HD11 LEU 14 HD11 LEU 14 -3.837 3.781 -4.423
117 HD12 LEU 14 HD12 LEU 14 -4.590 3.666 -2.834
118 HD13 LEU 14 HD13 LEU 14 -4.904 5.067 -3.854
119 HD21 LEU 14 HD21 LEU 14 -7.188 3.701 -6.178
120 HD22 LEU 14 HD22 LEU 14 -5.553 3.201 -6.604
121 HD23 LEU 14 HD23 LEU 14 -5.845 4.823 -5.991
122 H LEU 15 HN LEU 15 -6.552 -0.832 -3.133
123 HA LEU 15 HA LEU 15 -5.339 -2.756 -4.822
124 HB2 LEU 15 HB2 LEU 15 -6.663 -2.982 -2.117
125 HB3 LEU 15 HB1 LEU 15 -5.810 -4.316 -2.892
126 HG LEU 15 HG LEU 15 -4.563 -1.600 -2.364
127 HD11 LEU 15 HD11 LEU 15 -4.235 -4.151 -0.758
128 HD12 LEU 15 HD12 LEU 15 -5.222 -2.775 -0.262
129 HD13 LEU 15 HD13 LEU 15 -3.477 -2.592 -0.431
130 HD21 LEU 15 HD21 LEU 15 -3.210 -2.590 -4.003
131 HD22 LEU 15 HD22 LEU 15 -3.552 -4.229 -3.445
132 HD23 LEU 15 HD23 LEU 15 -2.449 -3.198 -2.537
133 H ASP 16 HN ASP 16 -8.643 -2.274 -3.715
134 HA ASP 16 HA ASP 16 -9.749 -4.652 -4.753
135 HB2 ASP 16 HB2 ASP 16 -10.955 -1.955 -4.133
136 HB3 ASP 16 HB1 ASP 16 -11.915 -3.320 -4.700
137 H ASP 17 HN ASP 17 -9.092 -1.525 -6.178
138 HA ASP 17 HA ASP 17 -10.568 -1.825 -8.563
139 HB2 ASP 17 HB2 ASP 17 -8.109 -0.193 -7.911
140 HB3 ASP 17 HB1 ASP 17 -8.938 -0.110 -9.462
141 H SER 18 HN SER 18 -7.905 -3.531 -7.444
142 HA SER 18 HA SER 18 -6.324 -3.908 -9.702
143 HB2 SER 18 HB2 SER 18 -6.983 -5.858 -7.489
144 HB3 SER 18 HB1 SER 18 -5.674 -6.064 -8.650
145 HG SER 18 HG SER 18 -4.659 -5.019 -7.087
146 H SER 19 HN SER 19 -9.352 -5.332 -8.795
147 HA SER 19 HA SER 19 -9.329 -7.296 -10.914
148 HB2 SER 19 HB2 SER 19 -10.549 -7.679 -8.772
149 HB3 SER 19 HB1 SER 19 -11.664 -6.391 -9.219
150 HG SER 19 HG SER 19 -12.668 -7.840 -10.349
151 H SER 20 HN SER 20 -10.074 -4.033 -10.646
152 HA SER 20 HA SER 20 -12.044 -3.903 -12.752
153 HB2 SER 20 HB2 SER 20 -11.701 -2.215 -10.818
154 HB3 SER 20 HB1 SER 20 -10.394 -1.566 -11.804
155 HG SER 20 HG SER 20 -11.868 -0.623 -12.954
156 H1 LYS 1 HN LYS 1 -11.753 -3.256 -14.863
157 HA LYS 1 HA LYS 1 -9.106 -3.737 -15.974
158 HB2 LYS 1 HB2 LYS 1 -11.814 -3.218 -17.210
159 HB3 LYS 1 HB1 LYS 1 -10.335 -3.401 -18.152
160 HG2 LYS 1 HG2 LYS 1 -9.982 -5.635 -17.309
161 HG3 LYS 1 HG1 LYS 1 -11.298 -5.458 -16.149
162 HD2 LYS 1 HD2 LYS 1 -12.170 -6.748 -17.975
163 HD3 LYS 1 HD1 LYS 1 -12.852 -5.131 -18.132
164 HE2 LYS 1 HE2 LYS 1 -11.269 -4.554 -19.865
165 HE3 LYS 1 HE1 LYS 1 -10.366 -6.047 -19.607
166 HZ1 LYS 1 HZ1 LYS 1 -12.509 -5.622 -21.313
167 HZ2 LYS 1 HZ2 LYS 1 -13.087 -6.627 -20.070
168 HZ3 LYS 1 HZ3 LYS 1 -11.728 -7.091 -20.982
169 H ASN 2 HN ASN 2 -10.231 -1.220 -14.470
170 HA ASN 2 HA ASN 2 -10.043 0.891 -16.315
171 HB2 ASN 2 HB2 ASN 2 -9.884 2.358 -14.353
172 HB3 ASN 2 HB1 ASN 2 -11.161 1.166 -14.158
173 HD21 ASN 2 HD21 ASN 2 -8.310 -0.525 -13.877
174 HD22 ASN 2 HD22 ASN 2 -8.116 -0.457 -12.193
175 HA PRO 3 HA PRO 3 -5.686 1.487 -16.985
176 HB2 PRO 3 HB2 PRO 3 -6.065 4.370 -16.251
177 HB3 PRO 3 HB1 PRO 3 -5.373 3.665 -17.725
178 HG2 PRO 3 HG2 PRO 3 -7.798 4.734 -17.741
179 HG3 PRO 3 HG1 PRO 3 -7.449 3.256 -18.660
180 HD2 PRO 3 HD2 PRO 3 -8.912 3.556 -16.058
181 HD3 PRO 3 HD1 PRO 3 -9.228 2.466 -17.424
182 H GLU 4 HN GLU 4 -7.165 2.539 -14.022
183 HA GLU 4 HA GLU 4 -4.892 3.317 -12.549
184 HB2 GLU 4 HB2 GLU 4 -7.515 2.108 -11.658
185 HB3 GLU 4 HB1 GLU 4 -6.300 2.743 -10.549
186 HG2 GLU 4 HG2 GLU 4 -6.453 4.948 -11.594
187 HG3 GLU 4 HG1 GLU 4 -7.602 4.331 -12.780
188 H ALA 5 HN ALA 5 -5.866 0.271 -13.703
189 HA ALA 5 HA ALA 5 -4.898 -1.481 -11.737
190 HB1 ALA 5 HB1 ALA 5 -6.240 -2.120 -13.773
191 HB2 ALA 5 HB2 ALA 5 -4.845 -3.155 -13.463
192 HB3 ALA 5 HB3 ALA 5 -4.768 -1.927 -14.726
193 H GLU 6 HN GLU 6 -3.241 0.500 -14.071
194 HA GLU 6 HA GLU 6 -0.768 -0.845 -14.187
195 HB2 GLU 6 HB2 GLU 6 -1.471 2.087 -14.444
196 HB3 GLU 6 HB1 GLU 6 0.144 1.444 -14.752
197 HG2 GLU 6 HG2 GLU 6 -0.743 -0.028 -16.494
198 HG3 GLU 6 HG1 GLU 6 -2.383 0.519 -16.150
199 H GLU 7 HN GLU 7 -2.073 1.498 -11.883
200 HA GLU 7 HA GLU 7 0.314 1.954 -10.448
201 HB2 GLU 7 HB2 GLU 7 -1.685 3.391 -10.224
202 HB3 GLU 7 HB1 GLU 7 -2.542 2.063 -9.440
203 HG2 GLU 7 HG2 GLU 7 -1.637 3.605 -7.754
204 HG3 GLU 7 HG1 GLU 7 -0.837 2.043 -7.630
205 H ILE 8 HN ILE 8 -2.210 -0.490 -10.151
206 HA ILE 8 HA ILE 8 -1.367 -1.633 -7.713
207 HB ILE 8 HB ILE 8 -2.941 -2.662 -10.073
208 HG12 ILE 8 HG12 ILE 8 -4.783 -2.612 -8.497
209 HG13 ILE 8 HG11 ILE 8 -3.687 -2.292 -7.155
210 HG21 ILE 8 HG21 ILE 8 -1.927 -4.683 -9.397
211 HG22 ILE 8 HG22 ILE 8 -3.430 -4.664 -8.481
212 HG23 ILE 8 HG23 ILE 8 -1.917 -4.217 -7.696
213 HD11 ILE 8 HD11 ILE 8 -3.187 -0.099 -7.956
214 HD12 ILE 8 HD12 ILE 8 -4.937 -0.268 -8.085
215 HD13 ILE 8 HD13 ILE 8 -3.934 -0.429 -9.525
216 H THR 9 HN THR 9 -0.463 -2.303 -11.080
217 HA THR 9 HA THR 9 1.149 -4.549 -10.578
218 HB THR 9 HB THR 9 1.408 -2.423 -12.724
219 HG1 THR 9 HG1 THR 9 0.213 -3.909 -13.927
220 HG21 THR 9 HG21 THR 9 2.688 -5.133 -12.357
221 HG22 THR 9 HG22 THR 9 3.467 -3.590 -12.715
222 HG23 THR 9 HG23 THR 9 2.505 -4.402 -13.951
223 H ARG 10 HN ARG 10 1.908 -1.084 -10.634
224 HA ARG 10 HA ARG 10 4.685 -1.349 -10.144
225 HB2 ARG 10 HB2 ARG 10 3.660 0.736 -10.977
226 HB3 ARG 10 HB1 ARG 10 2.847 0.948 -9.425
227 HG2 ARG 10 HG2 ARG 10 4.971 1.125 -8.270
228 HG3 ARG 10 HG1 ARG 10 5.854 0.730 -9.746
229 HD2 ARG 10 HD2 ARG 10 5.911 3.138 -9.416
230 HD3 ARG 10 HD1 ARG 10 4.906 2.771 -10.814
231 HE ARG 10 HE ARG 10 3.301 2.936 -8.460
232 HH11 ARG 10 HH11 ARG 10 2.050 4.805 -8.182
233 HH12 ARG 10 HH12 ARG 10 2.413 6.232 -9.088
234 HH21 ARG 10 HH21 ARG 10 5.108 4.816 -10.742
235 HH22 ARG 10 HH22 ARG 10 4.144 6.241 -10.536
236 H CYS 11 HN CYS 11 1.892 -0.989 -8.007
237 HA CYS 11 HA CYS 11 3.215 -0.700 -5.568
238 HB2 CYS 11 HB2 CYS 11 0.727 -0.501 -6.026
239 HB3 CYS 11 HB1 CYS 11 0.665 -2.261 -5.953
240 H LYS 12 HN LYS 12 2.242 -3.643 -7.288
241 HA LYS 12 HA LYS 12 3.052 -5.493 -5.326
242 HB2 LYS 12 HB2 LYS 12 1.621 -6.065 -7.267
243 HB3 LYS 12 HB1 LYS 12 3.012 -5.858 -8.331
244 HG2 LYS 12 HG2 LYS 12 4.213 -7.644 -7.151
245 HG3 LYS 12 HG1 LYS 12 2.862 -7.831 -6.033
246 HD2 LYS 12 HD2 LYS 12 1.388 -8.444 -7.912
247 HD3 LYS 12 HD1 LYS 12 2.740 -8.265 -9.031
248 HE2 LYS 12 HE2 LYS 12 3.969 -10.037 -7.845
249 HE3 LYS 12 HE1 LYS 12 2.634 -10.210 -6.705
250 HZ1 LYS 12 HZ1 LYS 12 1.483 -11.420 -8.152
251 HZ2 LYS 12 HZ2 LYS 12 2.916 -11.554 -9.055
252 HZ3 LYS 12 HZ3 LYS 12 1.781 -10.348 -9.433
253 H LYS 13 HN LYS 13 4.794 -4.035 -8.048
254 HA LYS 13 HA LYS 13 7.174 -5.520 -7.809
255 HB2 LYS 13 HB2 LYS 13 6.627 -4.088 -9.758
256 HB3 LYS 13 HB1 LYS 13 6.846 -2.658 -8.749
257 HG2 LYS 13 HG2 LYS 13 9.180 -3.241 -8.352
258 HG3 LYS 13 HG1 LYS 13 8.984 -4.751 -9.243
259 HD2 LYS 13 HD2 LYS 13 8.434 -3.464 -11.286
260 HD3 LYS 13 HD1 LYS 13 8.668 -1.961 -10.392
261 HE2 LYS 13 HE2 LYS 13 10.806 -4.087 -10.694
262 HE3 LYS 13 HE1 LYS 13 10.676 -2.674 -11.742
263 HZ1 LYS 13 HZ1 LYS 13 12.093 -1.894 -10.154
264 HZ2 LYS 13 HZ2 LYS 13 11.418 -2.835 -8.910
265 HZ3 LYS 13 HZ3 LYS 13 10.617 -1.439 -9.455
266 H LEU 14 HN LEU 14 6.122 -2.506 -6.268
267 HA LEU 14 HA LEU 14 8.545 -1.931 -4.936
268 HB2 LEU 14 HB2 LEU 14 5.670 -1.239 -4.329
269 HB3 LEU 14 HB1 LEU 14 7.016 -0.620 -3.377
270 HG LEU 14 HG LEU 14 6.817 -0.307 -6.389
271 HD11 LEU 14 HD11 LEU 14 6.061 1.681 -4.223
272 HD12 LEU 14 HD12 LEU 14 4.930 0.842 -5.280
273 HD13 LEU 14 HD13 LEU 14 6.071 1.998 -5.958
274 HD21 LEU 14 HD21 LEU 14 9.059 0.100 -5.871
275 HD22 LEU 14 HD22 LEU 14 8.691 0.688 -4.249
276 HD23 LEU 14 HD23 LEU 14 8.392 1.712 -5.647
277 H LEU 15 HN LEU 15 5.716 -3.828 -3.973
278 HA LEU 15 HA LEU 15 6.586 -4.379 -1.334
279 HB2 LEU 15 HB2 LEU 15 4.692 -5.822 -3.189
280 HB3 LEU 15 HB1 LEU 15 4.943 -6.293 -1.510
281 HG LEU 15 HG LEU 15 4.127 -3.499 -2.367
282 HD11 LEU 15 HD11 LEU 15 2.346 -5.693 -1.271
283 HD12 LEU 15 HD12 LEU 15 2.430 -5.240 -2.974
284 HD13 LEU 15 HD13 LEU 15 1.852 -4.077 -1.781
285 HD21 LEU 15 HD21 LEU 15 4.956 -3.247 -0.191
286 HD22 LEU 15 HD22 LEU 15 4.508 -4.885 0.285
287 HD23 LEU 15 HD23 LEU 15 3.274 -3.635 0.153
288 H ASP 16 HN ASP 16 7.038 -6.036 -4.405
289 HA ASP 16 HA ASP 16 8.273 -8.367 -3.408
290 HB2 ASP 16 HB2 ASP 16 8.439 -6.971 -6.080
291 HB3 ASP 16 HB1 ASP 16 9.245 -8.503 -5.749
292 H ASP 17 HN ASP 17 9.496 -5.191 -4.206
293 HA ASP 17 HA ASP 17 12.257 -5.772 -4.172
294 HB2 ASP 17 HB2 ASP 17 10.732 -3.221 -3.616
295 HB3 ASP 17 HB1 ASP 17 12.490 -3.303 -3.659
296 H SER 18 HN SER 18 9.991 -5.908 -1.702
297 HA SER 18 HA SER 18 11.323 -4.898 0.524
298 HB2 SER 18 HB2 SER 18 9.499 -7.303 0.349
299 HB3 SER 18 HB1 SER 18 9.944 -6.478 1.839
300 HG SER 18 HG SER 18 8.159 -5.425 1.326
301 H SER 19 HN SER 19 11.704 -7.892 -1.176
302 HA SER 19 HA SER 19 13.466 -9.059 0.792
303 HB2 SER 19 HB2 SER 19 12.021 -10.452 -0.695
304 HB3 SER 19 HB1 SER 19 13.009 -9.939 -2.062
305 HG SER 19 HG SER 19 14.276 -11.513 -1.494
306 H SER 20 HN SER 20 13.777 -6.867 -1.733
307 HA SER 20 HA SER 20 16.535 -7.431 -2.396
308 HB2 SER 20 HB2 SER 20 14.757 -6.277 -3.891
309 HB3 SER 20 HB1 SER 20 15.145 -4.823 -2.976
310 HG SER 20 HG SER 20 16.878 -4.675 -4.142
311 H1 LYS 1 HN LYS 1 18.345 -6.229 -1.811
312 HA LYS 1 HA LYS 1 18.170 -4.955 0.806
313 HB2 LYS 1 HB2 LYS 1 20.487 -5.715 -0.978
314 HB3 LYS 1 HB1 LYS 1 20.673 -4.866 0.556
315 HG2 LYS 1 HG2 LYS 1 19.658 -6.687 1.773
316 HG3 LYS 1 HG1 LYS 1 19.210 -7.504 0.277
317 HD2 LYS 1 HD2 LYS 1 21.175 -8.610 1.106
318 HD3 LYS 1 HD1 LYS 1 21.685 -7.631 -0.267
319 HE2 LYS 1 HE2 LYS 1 22.561 -5.915 1.196
320 HE3 LYS 1 HE1 LYS 1 21.875 -6.703 2.614
321 HZ1 LYS 1 HZ1 LYS 1 24.364 -7.115 1.465
322 HZ2 LYS 1 HZ2 LYS 1 23.466 -8.528 1.174
323 HZ3 LYS 1 HZ3 LYS 1 23.671 -7.960 2.762
324 H ASN 2 HN ASN 2 17.416 -3.856 -2.038
325 HA ASN 2 HA ASN 2 19.090 -1.634 -2.440
326 HB2 ASN 2 HB2 ASN 2 17.326 -0.794 -3.924
327 HB3 ASN 2 HB1 ASN 2 17.647 -2.496 -4.216
328 HD21 ASN 2 HD21 ASN 2 16.078 -2.387 -1.287
329 HD22 ASN 2 HD22 ASN 2 14.482 -2.590 -1.824
330 HA PRO 3 HA PRO 3 17.826 1.354 0.605
331 HB2 PRO 3 HB2 PRO 3 17.461 3.331 -1.621
332 HB3 PRO 3 HB1 PRO 3 18.456 3.453 -0.156
333 HG2 PRO 3 HG2 PRO 3 19.567 3.016 -2.525
334 HG3 PRO 3 HG1 PRO 3 20.178 2.208 -1.066
335 HD2 PRO 3 HD2 PRO 3 18.484 1.086 -3.275
336 HD3 PRO 3 HD1 PRO 3 19.802 0.331 -2.354
337 H GLU 4 HN GLU 4 15.846 0.759 -2.190
338 HA GLU 4 HA GLU 4 13.574 2.297 -1.558
339 HB2 GLU 4 HB2 GLU 4 13.852 -0.302 -3.077
340 HB3 GLU 4 HB1 GLU 4 12.355 0.625 -2.987
341 HG2 GLU 4 HG2 GLU 4 13.456 2.563 -3.992
342 HG3 GLU 4 HG1 GLU 4 14.995 1.703 -4.018
343 H ALA 5 HN ALA 5 14.897 -0.449 -0.051
344 HA ALA 5 HA ALA 5 12.631 -1.778 0.931
345 HB1 ALA 5 HB1 ALA 5 15.019 -2.569 1.100
346 HB2 ALA 5 HB2 ALA 5 14.088 -2.728 2.591
347 HB3 ALA 5 HB3 ALA 5 15.244 -1.408 2.410
348 H GLU 6 HN GLU 6 14.102 1.244 1.841
349 HA GLU 6 HA GLU 6 13.076 1.524 4.447
350 HB2 GLU 6 HB2 GLU 6 13.744 3.575 2.326
351 HB3 GLU 6 HB1 GLU 6 13.293 3.998 3.977
352 HG2 GLU 6 HG2 GLU 6 15.175 2.707 4.855
353 HG3 GLU 6 HG1 GLU 6 15.603 2.187 3.226
354 H GLU 7 HN GLU 7 11.671 2.213 1.277
355 HA GLU 7 HA GLU 7 9.367 3.562 2.189
356 HB2 GLU 7 HB2 GLU 7 10.097 3.594 -0.172
357 HB3 GLU 7 HB1 GLU 7 9.702 1.881 -0.310
358 HG2 GLU 7 HG2 GLU 7 7.863 3.248 -1.194
359 HG3 GLU 7 HG1 GLU 7 7.333 2.394 0.251
360 H ILE 8 HN ILE 8 10.080 0.149 1.689
361 HA ILE 8 HA ILE 8 7.469 -0.857 2.036
362 HB ILE 8 HB ILE 8 10.225 -2.026 2.407
363 HG12 ILE 8 HG12 ILE 8 9.633 -3.309 0.448
364 HG13 ILE 8 HG11 ILE 8 7.958 -2.777 0.534
365 HG21 ILE 8 HG21 ILE 8 9.066 -3.268 4.048
366 HG22 ILE 8 HG22 ILE 8 8.912 -4.267 2.604
367 HG23 ILE 8 HG23 ILE 8 7.562 -3.257 3.125
368 HD11 ILE 8 HD11 ILE 8 8.544 -0.544 -0.076
369 HD12 ILE 8 HD12 ILE 8 9.435 -1.592 -1.180
370 HD13 ILE 8 HD13 ILE 8 10.265 -0.853 0.187
371 H THR 9 HN THR 9 10.068 -0.173 4.354
372 HA THR 9 HA THR 9 8.807 -1.233 6.630
373 HB THR 9 HB THR 9 10.724 1.105 6.396
374 HG1 THR 9 HG1 THR 9 12.259 -0.475 6.828
375 HG21 THR 9 HG21 THR 9 9.707 -0.487 8.749
376 HG22 THR 9 HG22 THR 9 9.767 1.265 8.553
377 HG23 THR 9 HG23 THR 9 11.256 0.353 8.799
378 H ARG 10 HN ARG 10 8.691 2.006 5.180
379 HA ARG 10 HA ARG 10 7.030 3.184 7.148
380 HB2 ARG 10 HB2 ARG 10 8.318 4.508 5.512
381 HB3 ARG 10 HB1 ARG 10 7.290 3.894 4.216
382 HG2 ARG 10 HG2 ARG 10 5.332 4.931 5.196
383 HG3 ARG 10 HG1 ARG 10 6.251 5.414 6.622
384 HD2 ARG 10 HD2 ARG 10 6.043 7.328 5.136
385 HD3 ARG 10 HD1 ARG 10 7.721 6.797 5.162
386 HE ARG 10 HE ARG 10 6.315 5.544 3.015
387 HH11 ARG 10 HH11 ARG 10 6.707 6.322 0.922
388 HH12 ARG 10 HH12 ARG 10 7.442 7.871 0.698
389 HH21 ARG 10 HH21 ARG 10 7.683 8.541 4.090
390 HH22 ARG 10 HH22 ARG 10 7.992 9.129 2.489
391 H CYS 11 HN CYS 11 6.343 1.492 4.123
392 HA CYS 11 HA CYS 11 3.585 1.897 3.983
393 HB2 CYS 11 HB2 CYS 11 5.128 0.794 2.272
394 HB3 CYS 11 HB1 CYS 11 4.940 -0.681 3.215
395 H LYS 12 HN LYS 12 5.426 -0.637 5.644
396 HA LYS 12 HA LYS 12 3.228 -2.132 6.572
397 HB2 LYS 12 HB2 LYS 12 5.567 -2.946 6.604
398 HB3 LYS 12 HB1 LYS 12 5.939 -1.785 7.879
399 HG2 LYS 12 HG2 LYS 12 4.284 -2.836 9.354
400 HG3 LYS 12 HG1 LYS 12 3.842 -3.968 8.076
401 HD2 LYS 12 HD2 LYS 12 6.147 -4.852 8.066
402 HD3 LYS 12 HD1 LYS 12 6.580 -3.731 9.357
403 HE2 LYS 12 HE2 LYS 12 4.899 -4.764 10.831
404 HE3 LYS 12 HE1 LYS 12 4.445 -5.877 9.541
405 HZ1 LYS 12 HZ1 LYS 12 6.193 -7.163 9.957
406 HZ2 LYS 12 HZ2 LYS 12 6.375 -6.300 11.411
407 HZ3 LYS 12 HZ3 LYS 12 7.263 -5.848 10.035
408 H LYS 13 HN LYS 13 4.984 0.599 7.997
409 HA LYS 13 HA LYS 13 3.669 0.630 10.484
410 HB2 LYS 13 HB2 LYS 13 5.719 1.929 9.986
411 HB3 LYS 13 HB1 LYS 13 4.776 2.983 8.933
412 HG2 LYS 13 HG2 LYS 13 3.380 3.680 10.805
413 HG3 LYS 13 HG1 LYS 13 4.207 2.550 11.879
414 HD2 LYS 13 HD2 LYS 13 6.336 3.756 11.494
415 HD3 LYS 13 HD1 LYS 13 5.488 4.901 10.454
416 HE2 LYS 13 HE2 LYS 13 4.755 4.396 13.350
417 HE3 LYS 13 HE1 LYS 13 5.801 5.712 12.819
418 HZ1 LYS 13 HZ1 LYS 13 3.794 6.752 12.788
419 HZ2 LYS 13 HZ2 LYS 13 2.925 5.339 12.422
420 HZ3 LYS 13 HZ3 LYS 13 3.798 6.143 11.206
421 H LEU 14 HN LEU 14 2.872 2.169 7.392
422 HA LEU 14 HA LEU 14 0.649 3.656 8.301
423 HB2 LEU 14 HB2 LEU 14 1.373 2.520 5.598
424 HB3 LEU 14 HB1 LEU 14 -0.031 3.553 5.851
425 HG LEU 14 HG LEU 14 2.790 4.336 6.648
426 HD11 LEU 14 HD11 LEU 14 1.250 5.062 4.136
427 HD12 LEU 14 HD12 LEU 14 2.667 4.019 4.211
428 HD13 LEU 14 HD13 LEU 14 2.813 5.728 4.610
429 HD21 LEU 14 HD21 LEU 14 1.405 5.783 7.845
430 HD22 LEU 14 HD22 LEU 14 0.108 5.708 6.653
431 HD23 LEU 14 HD23 LEU 14 1.542 6.679 6.337
432 H LEU 15 HN LEU 15 0.922 0.373 7.004
433 HA LEU 15 HA LEU 15 -1.856 -0.186 6.956
434 HB2 LEU 15 HB2 LEU 15 0.569 -1.978 7.136
435 HB3 LEU 15 HB1 LEU 15 -1.073 -2.589 6.946
436 HG LEU 15 HG LEU 15 0.200 -0.574 5.068
437 HD11 LEU 15 HD11 LEU 15 -0.126 -3.559 4.656
438 HD12 LEU 15 HD12 LEU 15 1.394 -2.766 5.075
439 HD13 LEU 15 HD13 LEU 15 0.610 -2.409 3.536
440 HD21 LEU 15 HD21 LEU 15 -2.102 -0.382 4.688
441 HD22 LEU 15 HD22 LEU 15 -2.423 -2.059 5.126
442 HD23 LEU 15 HD23 LEU 15 -1.700 -1.676 3.566
443 H ASP 16 HN ASP 16 0.636 -0.610 9.407
444 HA ASP 16 HA ASP 16 -0.908 -2.047 11.279
445 HB2 ASP 16 HB2 ASP 16 1.498 -0.251 11.586
446 HB3 ASP 16 HB1 ASP 16 0.772 -1.110 12.943
447 H ASP 17 HN ASP 17 -0.568 1.370 10.612
448 HA ASP 17 HA ASP 17 -1.832 2.381 12.924
449 HB2 ASP 17 HB2 ASP 17 -1.528 3.507 10.135
450 HB3 ASP 17 HB1 ASP 17 -2.279 4.401 11.455
451 H SER 18 HN SER 18 -3.069 0.503 10.441
452 HA SER 18 HA SER 18 -5.599 1.562 9.966
453 HB2 SER 18 HB2 SER 18 -4.722 -1.326 10.093
454 HB3 SER 18 HB1 SER 18 -6.258 -0.780 9.425
455 HG SER 18 HG SER 18 -5.015 -0.747 7.682
456 H SER 19 HN SER 19 -4.384 -0.300 12.624
457 HA SER 19 HA SER 19 -6.977 -0.716 13.827
458 HB2 SER 19 HB2 SER 19 -5.083 -2.312 14.158
459 HB3 SER 19 HB1 SER 19 -4.255 -1.067 15.091
460 HG SER 19 HG SER 19 -5.410 -1.734 16.707
461 H SER 20 HN SER 20 -4.719 1.769 13.738
462 HA SER 20 HA SER 20 -5.338 2.948 16.303
463 HB2 SER 20 HB2 SER 20 -3.168 3.243 14.913
464 HB3 SER 20 HB1 SER 20 -4.087 4.441 14.006
465 HG SER 20 HG SER 20 -3.809 5.749 15.618
466 H2 ZBR 100 HA3 TBS 100 -1.499 1.287 -2.123
467 H4 ZBR 100 HC3 TBS 100 0.643 1.819 1.599
468 H6 ZBR 100 HB3 TBS 100 2.723 0.370 -1.914
469 H7 ZBR 100 HB11 TBS 100 1.257 1.029 -4.185
470 H7A ZBR 100 HB12 TBS 100 -0.413 0.481 -4.024
471 H8 ZBR 100 HA11 TBS 100 -2.200 2.958 -0.058
472 H8A ZBR 100 HA12 TBS 100 -1.625 2.360 1.501
473 H9 ZBR 100 HC11 TBS 100 3.382 1.994 1.054
474 H9A ZBR 100 HC12 TBS 100 3.899 0.608 0.088
Start of MODEL 17
1 H1 LYS 1 HN LYS 1 -6.357 6.455 16.385
2 HA LYS 1 HA LYS 1 -8.452 6.772 14.393
3 HB2 LYS 1 HB2 LYS 1 -7.798 8.305 16.919
4 HB3 LYS 1 HB1 LYS 1 -9.182 8.648 15.881
5 HG2 LYS 1 HG2 LYS 1 -10.009 6.346 16.217
6 HG3 LYS 1 HG1 LYS 1 -8.627 6.005 17.259
7 HD2 LYS 1 HD2 LYS 1 -9.349 7.784 18.808
8 HD3 LYS 1 HD1 LYS 1 -10.733 8.127 17.769
9 HE2 LYS 1 HE2 LYS 1 -11.566 5.832 18.108
10 HE3 LYS 1 HE1 LYS 1 -10.179 5.476 19.138
11 HZ1 LYS 1 HZ1 LYS 1 -11.686 7.846 19.852
12 HZ2 LYS 1 HZ2 LYS 1 -11.036 6.627 20.842
13 HZ3 LYS 1 HZ3 LYS 1 -12.518 6.381 20.049
14 H ASN 2 HN ASN 2 -5.374 7.428 14.203
15 HA ASN 2 HA ASN 2 -5.222 10.180 13.719
16 HB2 ASN 2 HB2 ASN 2 -3.098 9.704 12.593
17 HB3 ASN 2 HB1 ASN 2 -3.227 8.789 14.096
18 HD21 ASN 2 HD21 ASN 2 -5.383 7.287 12.125
19 HD22 ASN 2 HD22 ASN 2 -4.374 6.113 11.431
20 HA PRO 3 HA PRO 3 -7.119 10.806 9.756
21 HB2 PRO 3 HB2 PRO 3 -4.629 12.247 8.912
22 HB3 PRO 3 HB1 PRO 3 -6.312 12.814 8.920
23 HG2 PRO 3 HG2 PRO 3 -4.581 13.666 10.742
24 HG3 PRO 3 HG1 PRO 3 -6.270 13.331 11.167
25 HD2 PRO 3 HD2 PRO 3 -3.818 11.697 11.717
26 HD3 PRO 3 HD1 PRO 3 -5.255 11.978 12.724
27 H GLU 4 HN GLU 4 -3.861 9.543 9.910
28 HA GLU 4 HA GLU 4 -3.488 8.831 7.211
29 HB2 GLU 4 HB2 GLU 4 -2.419 7.590 9.754
30 HB3 GLU 4 HB1 GLU 4 -1.866 7.152 8.138
31 HG2 GLU 4 HG2 GLU 4 -1.188 9.478 7.723
32 HG3 GLU 4 HG1 GLU 4 -1.773 9.943 9.319
33 H ALA 5 HN ALA 5 -5.520 7.518 9.652
34 HA ALA 5 HA ALA 5 -5.725 4.836 8.870
35 HB1 ALA 5 HB1 ALA 5 -7.773 4.783 10.090
36 HB2 ALA 5 HB2 ALA 5 -8.032 6.513 9.868
37 HB3 ALA 5 HB3 ALA 5 -6.741 5.943 10.926
38 H GLU 6 HN GLU 6 -7.144 7.751 7.525
39 HA GLU 6 HA GLU 6 -9.107 6.564 5.888
40 HB2 GLU 6 HB2 GLU 6 -7.525 9.123 5.593
41 HB3 GLU 6 HB1 GLU 6 -8.843 8.668 4.512
42 HG2 GLU 6 HG2 GLU 6 -10.398 8.572 6.395
43 HG3 GLU 6 HG1 GLU 6 -9.090 8.926 7.523
44 H GLU 7 HN GLU 7 -5.652 7.111 5.438
45 HA GLU 7 HA GLU 7 -5.519 6.505 2.689
46 HB2 GLU 7 HB2 GLU 7 -3.656 7.556 3.932
47 HB3 GLU 7 HB1 GLU 7 -3.420 6.059 4.831
48 HG2 GLU 7 HG2 GLU 7 -1.824 6.199 2.966
49 HG3 GLU 7 HG1 GLU 7 -2.945 4.865 2.705
50 H ILE 8 HN ILE 8 -5.350 4.481 5.582
51 HA ILE 8 HA ILE 8 -4.675 2.056 4.284
52 HB ILE 8 HB ILE 8 -6.063 2.711 6.880
53 HG12 ILE 8 HG12 ILE 8 -4.013 1.674 7.810
54 HG13 ILE 8 HG11 ILE 8 -3.443 1.344 6.175
55 HG21 ILE 8 HG21 ILE 8 -7.154 0.679 6.370
56 HG22 ILE 8 HG22 ILE 8 -5.768 0.167 7.333
57 HG23 ILE 8 HG23 ILE 8 -5.732 0.008 5.575
58 HD11 ILE 8 HD11 ILE 8 -3.209 3.659 5.683
59 HD12 ILE 8 HD12 ILE 8 -2.543 3.465 7.307
60 HD13 ILE 8 HD13 ILE 8 -4.163 4.121 7.090
61 H THR 9 HN THR 9 -7.813 3.530 5.022
62 HA THR 9 HA THR 9 -9.435 1.416 4.119
63 HB THR 9 HB THR 9 -9.978 4.394 4.134
64 HG1 THR 9 HG1 THR 9 -11.032 2.559 5.952
65 HG21 THR 9 HG21 THR 9 -11.587 3.409 2.688
66 HG22 THR 9 HG22 THR 9 -12.389 3.537 4.254
67 HG23 THR 9 HG23 THR 9 -11.750 1.984 3.714
68 H ARG 10 HN ARG 10 -8.063 4.207 2.441
69 HA ARG 10 HA ARG 10 -9.297 3.814 -0.058
70 HB2 ARG 10 HB2 ARG 10 -8.101 5.888 0.560
71 HB3 ARG 10 HB1 ARG 10 -6.572 5.009 0.510
72 HG2 ARG 10 HG2 ARG 10 -6.841 4.538 -1.843
73 HG3 ARG 10 HG1 ARG 10 -8.474 5.204 -1.842
74 HD2 ARG 10 HD2 ARG 10 -6.966 6.870 -2.755
75 HD3 ARG 10 HD1 ARG 10 -7.515 7.414 -1.173
76 HE ARG 10 HE ARG 10 -5.089 5.981 -0.861
77 HH11 ARG 10 HH11 ARG 10 -3.180 7.162 -0.567
78 HH12 ARG 10 HH12 ARG 10 -3.111 8.828 -1.026
79 HH21 ARG 10 HH21 ARG 10 -6.380 8.920 -2.170
80 HH22 ARG 10 HH22 ARG 10 -4.920 9.822 -1.936
81 H CYS 11 HN CYS 11 -6.431 2.410 1.400
82 HA CYS 11 HA CYS 11 -5.205 1.249 -0.791
83 HB2 CYS 11 HB2 CYS 11 -4.507 1.209 1.686
84 HB3 CYS 11 HB1 CYS 11 -5.559 -0.199 1.832
85 H LYS 12 HN LYS 12 -7.974 0.075 1.101
86 HA LYS 12 HA LYS 12 -8.219 -2.448 -0.134
87 HB2 LYS 12 HB2 LYS 12 -10.277 -0.629 1.137
88 HB3 LYS 12 HB1 LYS 12 -10.629 -2.276 0.612
89 HG2 LYS 12 HG2 LYS 12 -8.849 -3.129 2.099
90 HG3 LYS 12 HG1 LYS 12 -8.506 -1.482 2.629
91 HD2 LYS 12 HD2 LYS 12 -10.802 -1.274 3.500
92 HD3 LYS 12 HD1 LYS 12 -11.158 -2.917 2.964
93 HE2 LYS 12 HE2 LYS 12 -9.388 -3.788 4.447
94 HE3 LYS 12 HE1 LYS 12 -9.030 -2.147 4.984
95 HZ1 LYS 12 HZ1 LYS 12 -11.796 -2.656 5.213
96 HZ2 LYS 12 HZ2 LYS 12 -10.682 -2.252 6.431
97 HZ3 LYS 12 HZ3 LYS 12 -10.932 -3.879 6.010
98 H LYS 13 HN LYS 13 -9.463 0.728 -1.033
99 HA LYS 13 HA LYS 13 -11.173 -0.092 -3.115
100 HB2 LYS 13 HB2 LYS 13 -11.147 2.194 -2.129
101 HB3 LYS 13 HB1 LYS 13 -9.600 2.489 -2.925
102 HG2 LYS 13 HG2 LYS 13 -10.629 2.111 -5.119
103 HG3 LYS 13 HG1 LYS 13 -12.176 1.751 -4.350
104 HD2 LYS 13 HD2 LYS 13 -12.220 4.031 -3.389
105 HD3 LYS 13 HD1 LYS 13 -10.688 4.390 -4.186
106 HE2 LYS 13 HE2 LYS 13 -11.724 3.986 -6.384
107 HE3 LYS 13 HE1 LYS 13 -13.256 3.609 -5.596
108 HZ1 LYS 13 HZ1 LYS 13 -13.666 5.761 -5.156
109 HZ2 LYS 13 HZ2 LYS 13 -12.605 6.039 -6.454
110 HZ3 LYS 13 HZ3 LYS 13 -12.040 6.137 -4.854
111 H LEU 14 HN LEU 14 -7.707 0.631 -3.044
112 HA LEU 14 HA LEU 14 -7.253 0.580 -5.828
113 HB2 LEU 14 HB2 LEU 14 -5.460 -0.076 -3.485
114 HB3 LEU 14 HB1 LEU 14 -4.880 0.016 -5.149
115 HG LEU 14 HG LEU 14 -6.330 2.269 -3.726
116 HD11 LEU 14 HD11 LEU 14 -4.038 1.627 -2.779
117 HD12 LEU 14 HD12 LEU 14 -4.219 3.296 -3.317
118 HD13 LEU 14 HD13 LEU 14 -3.372 2.131 -4.332
119 HD21 LEU 14 HD21 LEU 14 -6.595 2.754 -5.989
120 HD22 LEU 14 HD22 LEU 14 -5.119 1.912 -6.458
121 HD23 LEU 14 HD23 LEU 14 -5.027 3.505 -5.703
122 H LEU 15 HN LEU 15 -7.149 -2.001 -3.398
123 HA LEU 15 HA LEU 15 -6.295 -4.045 -5.167
124 HB2 LEU 15 HB2 LEU 15 -7.703 -3.995 -2.517
125 HB3 LEU 15 HB1 LEU 15 -7.526 -5.525 -3.377
126 HG LEU 15 HG LEU 15 -5.665 -5.016 -1.738
127 HD11 LEU 15 HD11 LEU 15 -5.509 -6.319 -4.107
128 HD12 LEU 15 HD12 LEU 15 -4.125 -6.112 -3.036
129 HD13 LEU 15 HD13 LEU 15 -4.336 -5.034 -4.413
130 HD21 LEU 15 HD21 LEU 15 -4.119 -3.258 -2.152
131 HD22 LEU 15 HD22 LEU 15 -5.704 -2.534 -2.381
132 HD23 LEU 15 HD23 LEU 15 -4.745 -2.986 -3.780
133 H ASP 16 HN ASP 16 -9.511 -2.925 -4.219
134 HA ASP 16 HA ASP 16 -10.953 -4.884 -5.676
135 HB2 ASP 16 HB2 ASP 16 -11.676 -2.127 -4.684
136 HB3 ASP 16 HB1 ASP 16 -12.825 -3.171 -5.520
137 H ASP 17 HN ASP 17 -9.742 -1.671 -6.482
138 HA ASP 17 HA ASP 17 -10.971 -1.501 -9.039
139 HB2 ASP 17 HB2 ASP 17 -8.609 -0.069 -7.817
140 HB3 ASP 17 HB1 ASP 17 -9.220 0.288 -9.431
141 H SER 18 HN SER 18 -8.436 -3.391 -7.873
142 HA SER 18 HA SER 18 -6.652 -3.461 -10.019
143 HB2 SER 18 HB2 SER 18 -5.927 -5.598 -9.163
144 HB3 SER 18 HB1 SER 18 -6.344 -4.582 -7.784
145 HG SER 18 HG SER 18 -7.282 -6.652 -7.611
146 H SER 19 HN SER 19 -9.816 -4.776 -9.676
147 HA SER 19 HA SER 19 -9.568 -6.511 -12.012
148 HB2 SER 19 HB2 SER 19 -11.843 -7.159 -11.577
149 HB3 SER 19 HB1 SER 19 -10.991 -7.117 -10.035
150 HG SER 19 HG SER 19 -11.820 -4.920 -9.848
151 H SER 20 HN SER 20 -10.263 -3.291 -11.391
152 HA SER 20 HA SER 20 -12.021 -2.843 -13.653
153 HB2 SER 20 HB2 SER 20 -12.228 -1.406 -11.689
154 HB3 SER 20 HB1 SER 20 -10.557 -0.882 -11.870
155 HG SER 20 HG SER 20 -11.085 0.189 -13.697
156 H1 LYS 1 HN LYS 1 -11.501 -1.705 -15.548
157 HA LYS 1 HA LYS 1 -8.785 -2.159 -16.480
158 HB2 LYS 1 HB2 LYS 1 -11.246 -1.062 -17.858
159 HB3 LYS 1 HB1 LYS 1 -9.694 -1.326 -18.653
160 HG2 LYS 1 HG2 LYS 1 -9.792 -3.720 -18.047
161 HG3 LYS 1 HG1 LYS 1 -11.351 -3.454 -17.267
162 HD2 LYS 1 HD2 LYS 1 -12.311 -2.714 -19.410
163 HD3 LYS 1 HD1 LYS 1 -10.755 -2.969 -20.200
164 HE2 LYS 1 HE2 LYS 1 -10.842 -5.361 -19.610
165 HE3 LYS 1 HE1 LYS 1 -12.397 -5.111 -18.818
166 HZ1 LYS 1 HZ1 LYS 1 -12.218 -4.137 -21.539
167 HZ2 LYS 1 HZ2 LYS 1 -13.470 -4.988 -20.767
168 HZ3 LYS 1 HZ3 LYS 1 -12.120 -5.822 -21.375
169 H ASN 2 HN ASN 2 -9.897 0.068 -14.547
170 HA ASN 2 HA ASN 2 -9.365 2.505 -15.820
171 HB2 ASN 2 HB2 ASN 2 -9.280 3.477 -13.569
172 HB3 ASN 2 HB1 ASN 2 -10.643 2.367 -13.725
173 HD21 ASN 2 HD21 ASN 2 -8.023 0.371 -13.679
174 HD22 ASN 2 HD22 ASN 2 -7.918 0.074 -12.012
175 HA PRO 3 HA PRO 3 -4.936 2.795 -16.021
176 HB2 PRO 3 HB2 PRO 3 -5.173 5.486 -14.722
177 HB3 PRO 3 HB1 PRO 3 -4.408 5.041 -16.262
178 HG2 PRO 3 HG2 PRO 3 -6.742 6.294 -16.222
179 HG3 PRO 3 HG1 PRO 3 -6.414 5.014 -17.404
180 HD2 PRO 3 HD2 PRO 3 -8.067 4.907 -14.905
181 HD3 PRO 3 HD1 PRO 3 -8.343 4.157 -16.490
182 H GLU 4 HN GLU 4 -6.567 3.487 -13.008
183 HA GLU 4 HA GLU 4 -4.348 3.652 -11.285
184 HB2 GLU 4 HB2 GLU 4 -7.180 2.717 -10.786
185 HB3 GLU 4 HB1 GLU 4 -5.989 2.966 -9.509
186 HG2 GLU 4 HG2 GLU 4 -5.741 5.316 -10.173
187 HG3 GLU 4 HG1 GLU 4 -6.891 5.078 -11.488
188 H ALA 5 HN ALA 5 -5.743 0.988 -12.947
189 HA ALA 5 HA ALA 5 -5.120 -1.154 -11.250
190 HB1 ALA 5 HB1 ALA 5 -5.320 -2.550 -13.175
191 HB2 ALA 5 HB2 ALA 5 -4.908 -1.224 -14.262
192 HB3 ALA 5 HB3 ALA 5 -6.455 -1.220 -13.415
193 H GLU 6 HN GLU 6 -3.112 0.738 -13.418
194 HA GLU 6 HA GLU 6 -0.864 -0.959 -13.526
195 HB2 GLU 6 HB2 GLU 6 -1.116 2.049 -13.719
196 HB3 GLU 6 HB1 GLU 6 0.390 1.178 -14.008
197 HG2 GLU 6 HG2 GLU 6 -0.661 -0.107 -15.803
198 HG3 GLU 6 HG1 GLU 6 -2.208 0.676 -15.487
199 H GLU 7 HN GLU 7 -1.925 1.428 -11.157
200 HA GLU 7 HA GLU 7 0.454 1.558 -9.653
201 HB2 GLU 7 HB2 GLU 7 -1.396 3.174 -9.383
202 HB3 GLU 7 HB1 GLU 7 -2.408 1.896 -8.708
203 HG2 GLU 7 HG2 GLU 7 -1.402 3.246 -6.910
204 HG3 GLU 7 HG1 GLU 7 -0.786 1.595 -6.854
205 H ILE 8 HN ILE 8 -2.331 -0.614 -9.491
206 HA ILE 8 HA ILE 8 -1.609 -1.962 -7.120
207 HB ILE 8 HB ILE 8 -3.300 -2.693 -9.509
208 HG12 ILE 8 HG12 ILE 8 -5.093 -2.625 -7.801
209 HG13 ILE 8 HG11 ILE 8 -3.893 -2.263 -6.561
210 HG21 ILE 8 HG21 ILE 8 -2.477 -4.836 -8.926
211 HG22 ILE 8 HG22 ILE 8 -3.997 -4.710 -8.038
212 HG23 ILE 8 HG23 ILE 8 -2.462 -4.459 -7.207
213 HD11 ILE 8 HD11 ILE 8 -3.412 -0.139 -7.494
214 HD12 ILE 8 HD12 ILE 8 -5.169 -0.272 -7.577
215 HD13 ILE 8 HD13 ILE 8 -4.195 -0.548 -9.019
216 H THR 9 HN THR 9 -0.834 -2.582 -10.525
217 HA THR 9 HA THR 9 0.554 -5.001 -10.145
218 HB THR 9 HB THR 9 0.962 -2.861 -12.249
219 HG1 THR 9 HG1 THR 9 -0.350 -5.284 -12.669
220 HG21 THR 9 HG21 THR 9 2.884 -4.262 -12.292
221 HG22 THR 9 HG22 THR 9 1.822 -4.889 -13.552
222 HG23 THR 9 HG23 THR 9 1.926 -5.712 -11.996
223 H ARG 10 HN ARG 10 1.639 -1.638 -10.098
224 HA ARG 10 HA ARG 10 4.398 -2.116 -9.804
225 HB2 ARG 10 HB2 ARG 10 3.449 0.099 -10.363
226 HB3 ARG 10 HB1 ARG 10 2.781 0.213 -8.734
227 HG2 ARG 10 HG2 ARG 10 4.987 0.164 -7.753
228 HG3 ARG 10 HG1 ARG 10 5.731 -0.176 -9.317
229 HD2 ARG 10 HD2 ARG 10 6.006 2.184 -8.837
230 HD3 ARG 10 HD1 ARG 10 4.848 2.010 -10.149
231 HE ARG 10 HE ARG 10 3.440 2.089 -7.693
232 HH11 ARG 10 HH11 ARG 10 2.430 4.025 -7.097
233 HH12 ARG 10 HH12 ARG 10 2.922 5.518 -7.820
234 HH21 ARG 10 HH21 ARG 10 5.359 4.057 -9.805
235 HH22 ARG 10 HH22 ARG 10 4.582 5.537 -9.352
236 H CYS 11 HN CYS 11 1.761 -2.013 -7.487
237 HA CYS 11 HA CYS 11 3.133 -1.864 -5.093
238 HB2 CYS 11 HB2 CYS 11 0.604 -2.011 -5.512
239 HB3 CYS 11 HB1 CYS 11 0.831 -3.758 -5.539
240 H LYS 12 HN LYS 12 2.558 -4.700 -7.159
241 HA LYS 12 HA LYS 12 3.623 -6.646 -5.412
242 HB2 LYS 12 HB2 LYS 12 3.477 -6.522 -8.433
243 HB3 LYS 12 HB1 LYS 12 4.004 -7.952 -7.545
244 HG2 LYS 12 HG2 LYS 12 1.849 -8.003 -6.342
245 HG3 LYS 12 HG1 LYS 12 1.320 -6.573 -7.231
246 HD2 LYS 12 HD2 LYS 12 1.552 -7.811 -9.358
247 HD3 LYS 12 HD1 LYS 12 2.065 -9.242 -8.463
248 HE2 LYS 12 HE2 LYS 12 -0.093 -9.287 -7.275
249 HE3 LYS 12 HE1 LYS 12 -0.610 -7.847 -8.154
250 HZ1 LYS 12 HZ1 LYS 12 0.332 -9.798 -9.964
251 HZ2 LYS 12 HZ2 LYS 12 -1.211 -9.095 -9.861
252 HZ3 LYS 12 HZ3 LYS 12 -0.847 -10.487 -8.958
253 H LYS 13 HN LYS 13 5.161 -4.531 -7.782
254 HA LYS 13 HA LYS 13 7.727 -5.690 -7.744
255 HB2 LYS 13 HB2 LYS 13 6.969 -4.006 -9.411
256 HB3 LYS 13 HB1 LYS 13 7.023 -2.774 -8.150
257 HG2 LYS 13 HG2 LYS 13 9.416 -3.169 -7.822
258 HG3 LYS 13 HG1 LYS 13 9.390 -4.460 -9.025
259 HD2 LYS 13 HD2 LYS 13 8.675 -2.826 -10.745
260 HD3 LYS 13 HD1 LYS 13 8.745 -1.541 -9.539
261 HE2 LYS 13 HE2 LYS 13 11.151 -1.982 -9.203
262 HE3 LYS 13 HE1 LYS 13 11.081 -3.272 -10.402
263 HZ1 LYS 13 HZ1 LYS 13 10.992 -1.821 -12.097
264 HZ2 LYS 13 HZ2 LYS 13 11.718 -0.760 -10.986
265 HZ3 LYS 13 HZ3 LYS 13 10.041 -0.699 -11.251
266 H LEU 14 HN LEU 14 6.203 -3.252 -5.678
267 HA LEU 14 HA LEU 14 8.505 -2.485 -4.238
268 HB2 LEU 14 HB2 LEU 14 5.580 -2.538 -3.480
269 HB3 LEU 14 HB1 LEU 14 6.827 -1.815 -2.463
270 HG LEU 14 HG LEU 14 6.325 -1.031 -5.352
271 HD11 LEU 14 HD11 LEU 14 4.429 -0.527 -3.701
272 HD12 LEU 14 HD12 LEU 14 5.093 0.854 -4.571
273 HD13 LEU 14 HD13 LEU 14 5.559 0.561 -2.898
274 HD21 LEU 14 HD21 LEU 14 8.505 -0.319 -4.915
275 HD22 LEU 14 HD22 LEU 14 8.208 -0.103 -3.190
276 HD23 LEU 14 HD23 LEU 14 7.600 1.083 -4.348
277 H LEU 15 HN LEU 15 6.114 -5.033 -3.632
278 HA LEU 15 HA LEU 15 7.213 -5.891 -1.162
279 HB2 LEU 15 HB2 LEU 15 5.438 -7.142 -3.235
280 HB3 LEU 15 HB1 LEU 15 6.043 -8.125 -1.901
281 HG LEU 15 HG LEU 15 3.795 -7.038 -1.476
282 HD11 LEU 15 HD11 LEU 15 5.787 -7.540 0.294
283 HD12 LEU 15 HD12 LEU 15 4.233 -6.856 0.766
284 HD13 LEU 15 HD13 LEU 15 5.622 -5.797 0.535
285 HD21 LEU 15 HD21 LEU 15 3.608 -4.685 -1.202
286 HD22 LEU 15 HD22 LEU 15 4.549 -4.896 -2.672
287 HD23 LEU 15 HD23 LEU 15 5.359 -4.468 -1.173
288 H ASP 16 HN ASP 16 7.816 -6.893 -4.499
289 HA ASP 16 HA ASP 16 9.632 -8.977 -3.860
290 HB2 ASP 16 HB2 ASP 16 9.221 -7.313 -6.345
291 HB3 ASP 16 HB1 ASP 16 10.401 -8.620 -6.255
292 H ASP 17 HN ASP 17 10.020 -5.532 -4.505
293 HA ASP 17 HA ASP 17 12.863 -5.524 -4.506
294 HB2 ASP 17 HB2 ASP 17 10.822 -3.337 -4.082
295 HB3 ASP 17 HB1 ASP 17 12.559 -3.041 -4.102
296 H SER 18 HN SER 18 10.604 -5.962 -2.047
297 HA SER 18 HA SER 18 11.754 -4.632 0.123
298 HB2 SER 18 HB2 SER 18 10.543 -6.173 1.531
299 HB3 SER 18 HB1 SER 18 9.544 -5.846 0.118
300 HG SER 18 HG SER 18 9.670 -8.074 0.548
301 H SER 19 HN SER 19 12.732 -7.478 -1.555
302 HA SER 19 HA SER 19 14.618 -8.298 0.517
303 HB2 SER 19 HB2 SER 19 15.170 -10.136 -0.935
304 HB3 SER 19 HB1 SER 19 13.417 -9.955 -0.932
305 HG SER 19 HG SER 19 13.771 -8.601 -2.851
306 H SER 20 HN SER 20 14.568 -6.164 -2.069
307 HA SER 20 HA SER 20 17.393 -6.288 -2.708
308 HB2 SER 20 HB2 SER 20 15.844 -5.632 -4.461
309 HB3 SER 20 HB1 SER 20 15.259 -4.286 -3.488
310 HG SER 20 HG SER 20 17.179 -3.272 -3.729
311 H1 LYS 1 HN LYS 1 18.962 -4.764 -2.181
312 HA LYS 1 HA LYS 1 18.579 -3.460 0.374
313 HB2 LYS 1 HB2 LYS 1 20.948 -3.600 -1.502
314 HB3 LYS 1 HB1 LYS 1 20.979 -2.808 0.074
315 HG2 LYS 1 HG2 LYS 1 20.350 -4.934 1.159
316 HG3 LYS 1 HG1 LYS 1 20.321 -5.727 -0.417
317 HD2 LYS 1 HD2 LYS 1 22.709 -5.199 -0.734
318 HD3 LYS 1 HD1 LYS 1 22.743 -4.403 0.840
319 HE2 LYS 1 HE2 LYS 1 22.124 -6.520 1.935
320 HE3 LYS 1 HE1 LYS 1 22.071 -7.322 0.365
321 HZ1 LYS 1 HZ1 LYS 1 24.515 -5.880 0.934
322 HZ2 LYS 1 HZ2 LYS 1 24.293 -7.415 0.241
323 HZ3 LYS 1 HZ3 LYS 1 24.236 -7.225 1.928
324 H ASN 2 HN ASN 2 17.459 -2.625 -2.451
325 HA ASN 2 HA ASN 2 18.510 -0.081 -2.958
326 HB2 ASN 2 HB2 ASN 2 16.510 0.298 -4.324
327 HB3 ASN 2 HB1 ASN 2 17.173 -1.310 -4.615
328 HD21 ASN 2 HD21 ASN 2 15.888 -1.577 -1.605
329 HD22 ASN 2 HD22 ASN 2 14.320 -2.088 -2.001
330 HA PRO 3 HA PRO 3 16.788 2.560 0.170
331 HB2 PRO 3 HB2 PRO 3 15.871 4.381 -2.027
332 HB3 PRO 3 HB1 PRO 3 16.908 4.735 -0.629
333 HG2 PRO 3 HG2 PRO 3 17.935 4.511 -3.066
334 HG3 PRO 3 HG1 PRO 3 18.798 3.888 -1.647
335 HD2 PRO 3 HD2 PRO 3 17.262 2.386 -3.737
336 HD3 PRO 3 HD1 PRO 3 18.766 1.958 -2.895
337 H GLU 4 HN GLU 4 14.819 1.641 -2.569
338 HA GLU 4 HA GLU 4 12.318 2.612 -1.716
339 HB2 GLU 4 HB2 GLU 4 13.038 0.219 -3.421
340 HB3 GLU 4 HB1 GLU 4 11.392 0.813 -3.205
341 HG2 GLU 4 HG2 GLU 4 12.038 2.997 -4.118
342 HG3 GLU 4 HG1 GLU 4 13.704 2.447 -4.289
343 H ALA 5 HN ALA 5 14.268 0.032 -0.565
344 HA ALA 5 HA ALA 5 12.358 -1.742 0.462
345 HB1 ALA 5 HB1 ALA 5 14.101 -2.588 1.858
346 HB2 ALA 5 HB2 ALA 5 14.976 -1.058 1.808
347 HB3 ALA 5 HB3 ALA 5 14.878 -2.065 0.364
348 H GLU 6 HN GLU 6 13.551 1.333 1.666
349 HA GLU 6 HA GLU 6 12.573 1.177 4.306
350 HB2 GLU 6 HB2 GLU 6 13.030 3.539 2.475
351 HB3 GLU 6 HB1 GLU 6 12.588 3.697 4.174
352 HG2 GLU 6 HG2 GLU 6 14.585 2.453 4.842
353 HG3 GLU 6 HG1 GLU 6 15.014 2.195 3.151
354 H GLU 7 HN GLU 7 11.048 2.098 1.259
355 HA GLU 7 HA GLU 7 8.668 3.167 2.323
356 HB2 GLU 7 HB2 GLU 7 9.322 3.449 -0.040
357 HB3 GLU 7 HB1 GLU 7 9.092 1.721 -0.310
358 HG2 GLU 7 HG2 GLU 7 7.111 2.976 -1.051
359 HG3 GLU 7 HG1 GLU 7 6.698 1.952 0.323
360 H ILE 8 HN ILE 8 9.612 -0.128 1.456
361 HA ILE 8 HA ILE 8 7.080 -1.337 1.835
362 HB ILE 8 HB ILE 8 9.916 -2.356 1.953
363 HG12 ILE 8 HG12 ILE 8 9.163 -3.603 -0.045
364 HG13 ILE 8 HG11 ILE 8 7.544 -2.934 0.140
365 HG21 ILE 8 HG21 ILE 8 8.932 -3.802 3.540
366 HG22 ILE 8 HG22 ILE 8 8.755 -4.686 2.024
367 HG23 ILE 8 HG23 ILE 8 7.380 -3.814 2.707
368 HD11 ILE 8 HD11 ILE 8 8.301 -0.731 -0.341
369 HD12 ILE 8 HD12 ILE 8 9.096 -1.765 -1.531
370 HD13 ILE 8 HD13 ILE 8 9.987 -1.196 -0.123
371 H THR 9 HN THR 9 9.759 -0.737 4.081
372 HA THR 9 HA THR 9 8.672 -2.061 6.314
373 HB THR 9 HB THR 9 10.505 0.346 6.210
374 HG1 THR 9 HG1 THR 9 11.370 -2.214 6.827
375 HG21 THR 9 HG21 THR 9 9.629 0.228 8.417
376 HG22 THR 9 HG22 THR 9 11.186 -0.596 8.491
377 HG23 THR 9 HG23 THR 9 9.694 -1.534 8.430
378 H ARG 10 HN ARG 10 8.357 1.273 5.178
379 HA ARG 10 HA ARG 10 6.866 2.289 7.335
380 HB2 ARG 10 HB2 ARG 10 7.904 3.720 5.611
381 HB3 ARG 10 HB1 ARG 10 6.747 3.117 4.425
382 HG2 ARG 10 HG2 ARG 10 4.892 4.044 5.664
383 HG3 ARG 10 HG1 ARG 10 5.947 4.492 7.005
384 HD2 ARG 10 HD2 ARG 10 5.524 6.470 5.667
385 HD3 ARG 10 HD1 ARG 10 7.203 5.990 5.447
386 HE ARG 10 HE ARG 10 5.631 4.783 3.422
387 HH11 ARG 10 HH11 ARG 10 5.656 5.701 1.355
388 HH12 ARG 10 HH12 ARG 10 6.174 7.339 1.140
389 HH21 ARG 10 HH21 ARG 10 6.787 7.864 4.509
390 HH22 ARG 10 HH22 ARG 10 6.812 8.563 2.925
391 H CYS 11 HN CYS 11 5.936 0.491 4.467
392 HA CYS 11 HA CYS 11 3.196 0.860 4.450
393 HB2 CYS 11 HB2 CYS 11 4.669 -0.519 2.858
394 HB3 CYS 11 HB1 CYS 11 4.476 -1.834 4.016
395 H LYS 12 HN LYS 12 5.134 -1.349 6.445
396 HA LYS 12 HA LYS 12 2.989 -2.737 7.643
397 HB2 LYS 12 HB2 LYS 12 5.777 -2.098 8.638
398 HB3 LYS 12 HB1 LYS 12 4.664 -3.171 9.490
399 HG2 LYS 12 HG2 LYS 12 4.513 -4.607 7.485
400 HG3 LYS 12 HG1 LYS 12 5.630 -3.537 6.636
401 HD2 LYS 12 HD2 LYS 12 7.368 -4.004 8.323
402 HD3 LYS 12 HD1 LYS 12 6.254 -5.071 9.178
403 HE2 LYS 12 HE2 LYS 12 6.101 -6.515 7.185
404 HE3 LYS 12 HE1 LYS 12 7.209 -5.449 6.323
405 HZ1 LYS 12 HZ1 LYS 12 8.307 -6.169 8.822
406 HZ2 LYS 12 HZ2 LYS 12 8.922 -6.455 7.264
407 HZ3 LYS 12 HZ3 LYS 12 7.859 -7.571 7.979
408 H LYS 13 HN LYS 13 4.566 0.310 8.461
409 HA LYS 13 HA LYS 13 3.359 0.715 10.975
410 HB2 LYS 13 HB2 LYS 13 5.287 2.031 10.105
411 HB3 LYS 13 HB1 LYS 13 4.194 2.822 8.969
412 HG2 LYS 13 HG2 LYS 13 2.849 3.691 10.829
413 HG3 LYS 13 HG1 LYS 13 3.893 2.864 11.987
414 HD2 LYS 13 HD2 LYS 13 5.824 4.188 11.186
415 HD3 LYS 13 HD1 LYS 13 4.767 5.030 10.052
416 HE2 LYS 13 HE2 LYS 13 3.413 5.879 11.930
417 HE3 LYS 13 HE1 LYS 13 4.458 5.029 13.069
418 HZ1 LYS 13 HZ1 LYS 13 6.088 6.533 12.837
419 HZ2 LYS 13 HZ2 LYS 13 4.837 7.554 12.307
420 HZ3 LYS 13 HZ3 LYS 13 5.819 6.749 11.177
421 H LEU 14 HN LEU 14 2.304 1.484 7.683
422 HA LEU 14 HA LEU 14 0.058 3.053 8.357
423 HB2 LEU 14 HB2 LEU 14 0.644 1.296 5.969
424 HB3 LEU 14 HB1 LEU 14 -0.774 2.343 6.069
425 HG LEU 14 HG LEU 14 2.083 3.316 6.383
426 HD11 LEU 14 HD11 LEU 14 1.477 2.383 4.083
427 HD12 LEU 14 HD12 LEU 14 2.016 4.063 4.114
428 HD13 LEU 14 HD13 LEU 14 0.299 3.690 3.970
429 HD21 LEU 14 HD21 LEU 14 0.802 4.983 7.383
430 HD22 LEU 14 HD22 LEU 14 -0.626 4.626 6.411
431 HD23 LEU 14 HD23 LEU 14 0.723 5.520 5.706
432 H LEU 15 HN LEU 15 0.400 -0.439 7.842
433 HA LEU 15 HA LEU 15 -2.349 -1.061 8.173
434 HB2 LEU 15 HB2 LEU 15 0.210 -2.610 8.393
435 HB3 LEU 15 HB1 LEU 15 -1.306 -3.367 8.883
436 HG LEU 15 HG LEU 15 -0.660 -3.768 6.469
437 HD11 LEU 15 HD11 LEU 15 -3.142 -3.466 7.520
438 HD12 LEU 15 HD12 LEU 15 -2.857 -3.838 5.821
439 HD13 LEU 15 HD13 LEU 15 -3.182 -2.177 6.313
440 HD21 LEU 15 HD21 LEU 15 -0.698 -1.993 4.883
441 HD22 LEU 15 HD22 LEU 15 0.226 -1.376 6.245
442 HD23 LEU 15 HD23 LEU 15 -1.446 -0.882 6.031
443 H ASP 16 HN ASP 16 0.331 -0.879 10.473
444 HA ASP 16 HA ASP 16 -1.156 -1.748 12.725
445 HB2 ASP 16 HB2 ASP 16 1.357 -0.102 12.437
446 HB3 ASP 16 HB1 ASP 16 0.685 -0.541 14.006
447 H ASP 17 HN ASP 17 -0.548 1.418 11.302
448 HA ASP 17 HA ASP 17 -1.786 2.930 13.369
449 HB2 ASP 17 HB2 ASP 17 -1.146 3.572 10.484
450 HB3 ASP 17 HB1 ASP 17 -1.855 4.739 11.599
451 H SER 18 HN SER 18 -3.035 0.873 11.014
452 HA SER 18 HA SER 18 -5.401 2.140 10.243
453 HB2 SER 18 HB2 SER 18 -6.238 -0.063 9.699
454 HB3 SER 18 HB1 SER 18 -4.517 -0.027 9.322
455 HG SER 18 HG SER 18 -5.091 -1.885 10.524
456 H SER 19 HN SER 19 -4.488 0.691 13.226
457 HA SER 19 HA SER 19 -7.220 0.604 14.257
458 HB2 SER 19 HB2 SER 19 -6.263 -0.303 16.272
459 HB3 SER 19 HB1 SER 19 -5.499 -1.104 14.900
460 HG SER 19 HG SER 19 -3.817 0.519 15.112
461 H SER 20 HN SER 20 -4.735 2.844 14.004
462 HA SER 20 HA SER 20 -5.382 4.395 16.363
463 HB2 SER 20 HB2 SER 20 -3.097 4.447 15.511
464 HB3 SER 20 HB1 SER 20 -3.661 5.064 13.962
465 HG SER 20 HG SER 20 -4.231 6.955 14.925
466 H2 ZBR 100 HA3 TBS 100 -1.910 -0.567 -1.564
467 H4 ZBR 100 HC3 TBS 100 0.229 0.023 2.138
468 H6 ZBR 100 HB3 TBS 100 2.308 -1.441 -1.355
469 H7 ZBR 100 HB11 TBS 100 0.517 -0.615 -3.663
470 H7A ZBR 100 HB12 TBS 100 -0.856 -1.679 -3.350
471 H8 ZBR 100 HA11 TBS 100 -2.379 1.306 0.789
472 H8A ZBR 100 HA12 TBS 100 -2.125 0.161 2.106
473 H9 ZBR 100 HC11 TBS 100 3.142 0.217 1.271
474 H9A ZBR 100 HC12 TBS 100 3.387 -1.453 0.752
Start of MODEL 18
1 H1 LYS 1 HN LYS 1 -6.609 5.503 16.701
2 HA LYS 1 HA LYS 1 -8.683 5.973 14.764
3 HB2 LYS 1 HB2 LYS 1 -7.996 7.366 17.361
4 HB3 LYS 1 HB1 LYS 1 -9.433 7.704 16.396
5 HG2 LYS 1 HG2 LYS 1 -10.144 5.351 16.621
6 HG3 LYS 1 HG1 LYS 1 -8.712 5.015 17.597
7 HD2 LYS 1 HD2 LYS 1 -9.455 6.666 19.270
8 HD3 LYS 1 HD1 LYS 1 -10.889 7.006 18.300
9 HE2 LYS 1 HE2 LYS 1 -11.608 4.659 18.527
10 HE3 LYS 1 HE1 LYS 1 -10.174 4.310 19.493
11 HZ1 LYS 1 HZ1 LYS 1 -11.566 6.576 20.495
12 HZ2 LYS 1 HZ2 LYS 1 -11.145 5.135 21.289
13 HZ3 LYS 1 HZ3 LYS 1 -12.595 5.231 20.411
14 H ASN 2 HN ASN 2 -5.634 6.731 14.499
15 HA ASN 2 HA ASN 2 -5.493 9.499 14.228
16 HB2 ASN 2 HB2 ASN 2 -3.507 9.020 12.745
17 HB3 ASN 2 HB1 ASN 2 -3.467 8.197 14.296
18 HD21 ASN 2 HD21 ASN 2 -5.848 6.806 12.306
19 HD22 ASN 2 HD22 ASN 2 -4.936 5.512 11.708
20 HA PRO 3 HA PRO 3 -7.768 10.358 10.545
21 HB2 PRO 3 HB2 PRO 3 -6.256 12.426 9.495
22 HB3 PRO 3 HB1 PRO 3 -7.379 12.608 10.854
23 HG2 PRO 3 HG2 PRO 3 -4.410 12.260 10.883
24 HG3 PRO 3 HG1 PRO 3 -5.431 13.327 11.869
25 HD2 PRO 3 HD2 PRO 3 -4.449 11.029 12.841
26 HD3 PRO 3 HD1 PRO 3 -6.046 11.622 13.327
27 H GLU 4 HN GLU 4 -4.414 9.515 10.401
28 HA GLU 4 HA GLU 4 -4.061 9.408 7.596
29 HB2 GLU 4 HB2 GLU 4 -2.712 7.894 9.836
30 HB3 GLU 4 HB1 GLU 4 -2.195 7.825 8.151
31 HG2 GLU 4 HG2 GLU 4 -1.843 10.254 8.136
32 HG3 GLU 4 HG1 GLU 4 -2.408 10.358 9.803
33 H ALA 5 HN ALA 5 -5.937 7.523 9.701
34 HA ALA 5 HA ALA 5 -5.815 4.972 8.543
35 HB1 ALA 5 HB1 ALA 5 -7.967 4.572 9.577
36 HB2 ALA 5 HB2 ALA 5 -8.260 6.305 9.729
37 HB3 ALA 5 HB3 ALA 5 -6.987 5.539 10.679
38 H GLU 6 HN GLU 6 -7.284 7.924 7.448
39 HA GLU 6 HA GLU 6 -9.216 6.904 5.681
40 HB2 GLU 6 HB2 GLU 6 -7.553 9.432 5.548
41 HB3 GLU 6 HB1 GLU 6 -8.916 9.094 4.481
42 HG2 GLU 6 HG2 GLU 6 -9.093 9.131 7.506
43 HG3 GLU 6 HG1 GLU 6 -9.536 10.488 6.472
44 H GLU 7 HN GLU 7 -5.747 7.415 5.307
45 HA GLU 7 HA GLU 7 -5.592 6.972 2.526
46 HB2 GLU 7 HB2 GLU 7 -3.742 7.947 3.828
47 HB3 GLU 7 HB1 GLU 7 -3.521 6.408 4.662
48 HG2 GLU 7 HG2 GLU 7 -1.913 6.595 2.824
49 HG3 GLU 7 HG1 GLU 7 -3.055 5.311 2.475
50 H ILE 8 HN ILE 8 -5.507 4.781 5.284
51 HA ILE 8 HA ILE 8 -4.815 2.415 3.894
52 HB ILE 8 HB ILE 8 -6.310 2.927 6.467
53 HG12 ILE 8 HG12 ILE 8 -4.257 2.014 7.453
54 HG13 ILE 8 HG11 ILE 8 -3.607 1.699 5.844
55 HG21 ILE 8 HG21 ILE 8 -5.764 0.331 5.029
56 HG22 ILE 8 HG22 ILE 8 -7.259 0.880 5.790
57 HG23 ILE 8 HG23 ILE 8 -5.893 0.383 6.788
58 HD11 ILE 8 HD11 ILE 8 -4.461 4.471 6.677
59 HD12 ILE 8 HD12 ILE 8 -3.377 3.996 5.355
60 HD13 ILE 8 HD13 ILE 8 -2.849 3.863 7.027
61 H THR 9 HN THR 9 -7.947 3.913 4.630
62 HA THR 9 HA THR 9 -9.597 1.870 3.597
63 HB THR 9 HB THR 9 -10.069 4.860 3.706
64 HG1 THR 9 HG1 THR 9 -9.651 3.480 5.667
65 HG21 THR 9 HG21 THR 9 -11.884 2.505 3.172
66 HG22 THR 9 HG22 THR 9 -11.659 3.949 2.186
67 HG23 THR 9 HG23 THR 9 -12.499 4.059 3.732
68 H ARG 10 HN ARG 10 -8.105 4.705 2.062
69 HA ARG 10 HA ARG 10 -9.275 4.390 -0.495
70 HB2 ARG 10 HB2 ARG 10 -8.104 6.446 0.252
71 HB3 ARG 10 HB1 ARG 10 -6.573 5.570 0.196
72 HG2 ARG 10 HG2 ARG 10 -6.817 5.191 -2.183
73 HG3 ARG 10 HG1 ARG 10 -8.432 5.887 -2.177
74 HD2 ARG 10 HD2 ARG 10 -6.910 7.576 -2.989
75 HD3 ARG 10 HD1 ARG 10 -7.414 8.038 -1.367
76 HE ARG 10 HE ARG 10 -5.042 6.524 -1.161
77 HH11 ARG 10 HH11 ARG 10 -3.077 7.614 -0.859
78 HH12 ARG 10 HH12 ARG 10 -2.943 9.286 -1.271
79 HH21 ARG 10 HH21 ARG 10 -6.224 9.552 -2.359
80 HH22 ARG 10 HH22 ARG 10 -4.723 10.385 -2.122
81 H CYS 11 HN CYS 11 -6.302 3.105 0.952
82 HA CYS 11 HA CYS 11 -5.248 1.891 -1.360
83 HB2 CYS 11 HB2 CYS 11 -4.807 1.751 1.544
84 HB3 CYS 11 HB1 CYS 11 -4.461 0.239 0.707
85 H LYS 12 HN LYS 12 -7.544 0.729 1.067
86 HA LYS 12 HA LYS 12 -7.729 -1.941 0.221
87 HB2 LYS 12 HB2 LYS 12 -8.706 -1.047 2.330
88 HB3 LYS 12 HB1 LYS 12 -9.940 -0.224 1.375
89 HG2 LYS 12 HG2 LYS 12 -10.718 -2.371 0.478
90 HG3 LYS 12 HG1 LYS 12 -9.453 -3.215 1.371
91 HD2 LYS 12 HD2 LYS 12 -10.411 -2.415 3.499
92 HD3 LYS 12 HD1 LYS 12 -11.679 -1.570 2.608
93 HE2 LYS 12 HE2 LYS 12 -12.506 -3.738 3.418
94 HE3 LYS 12 HE1 LYS 12 -12.438 -3.726 1.655
95 HZ1 LYS 12 HZ1 LYS 12 -10.176 -4.721 3.274
96 HZ2 LYS 12 HZ2 LYS 12 -10.534 -5.034 1.644
97 HZ3 LYS 12 HZ3 LYS 12 -11.477 -5.732 2.872
98 H LYS 13 HN LYS 13 -9.515 0.950 -0.815
99 HA LYS 13 HA LYS 13 -11.267 -0.356 -2.615
100 HB2 LYS 13 HB2 LYS 13 -10.220 2.479 -2.536
101 HB3 LYS 13 HB1 LYS 13 -11.466 1.928 -3.658
102 HG2 LYS 13 HG2 LYS 13 -12.866 1.216 -1.749
103 HG3 LYS 13 HG1 LYS 13 -11.627 1.788 -0.632
104 HD2 LYS 13 HD2 LYS 13 -11.869 4.075 -1.534
105 HD3 LYS 13 HD1 LYS 13 -13.114 3.502 -2.645
106 HE2 LYS 13 HE2 LYS 13 -14.504 2.801 -0.727
107 HE3 LYS 13 HE1 LYS 13 -13.262 3.383 0.382
108 HZ1 LYS 13 HZ1 LYS 13 -14.270 5.341 0.278
109 HZ2 LYS 13 HZ2 LYS 13 -15.270 4.849 -1.006
110 HZ3 LYS 13 HZ3 LYS 13 -13.723 5.476 -1.323
111 H LEU 14 HN LEU 14 -8.027 1.023 -2.998
112 HA LEU 14 HA LEU 14 -7.855 0.765 -5.800
113 HB2 LEU 14 HB2 LEU 14 -5.818 0.876 -3.577
114 HB3 LEU 14 HB1 LEU 14 -5.305 0.651 -5.249
115 HG LEU 14 HG LEU 14 -7.224 2.886 -4.589
116 HD11 LEU 14 HD11 LEU 14 -5.569 3.444 -3.036
117 HD12 LEU 14 HD12 LEU 14 -5.020 4.298 -4.469
118 HD13 LEU 14 HD13 LEU 14 -4.266 2.772 -4.005
119 HD21 LEU 14 HD21 LEU 14 -6.535 2.149 -6.963
120 HD22 LEU 14 HD22 LEU 14 -4.932 2.745 -6.569
121 HD23 LEU 14 HD23 LEU 14 -6.309 3.849 -6.585
122 H LEU 15 HN LEU 15 -7.026 -1.460 -3.171
123 HA LEU 15 HA LEU 15 -5.874 -3.479 -4.781
124 HB2 LEU 15 HB2 LEU 15 -7.295 -3.620 -2.109
125 HB3 LEU 15 HB1 LEU 15 -6.432 -4.969 -2.834
126 HG LEU 15 HG LEU 15 -5.165 -2.266 -2.304
127 HD11 LEU 15 HD11 LEU 15 -5.806 -3.288 -0.173
128 HD12 LEU 15 HD12 LEU 15 -4.058 -3.399 -0.384
129 HD13 LEU 15 HD13 LEU 15 -5.072 -4.816 -0.664
130 HD21 LEU 15 HD21 LEU 15 -4.215 -4.914 -3.379
131 HD22 LEU 15 HD22 LEU 15 -3.102 -3.958 -2.413
132 HD23 LEU 15 HD23 LEU 15 -3.788 -3.279 -3.877
133 H ASP 16 HN ASP 16 -9.203 -2.911 -3.713
134 HA ASP 16 HA ASP 16 -10.271 -5.273 -4.933
135 HB2 ASP 16 HB2 ASP 16 -11.543 -2.715 -3.954
136 HB3 ASP 16 HB1 ASP 16 -12.467 -4.058 -4.628
137 H ASP 17 HN ASP 17 -9.935 -1.890 -5.911
138 HA ASP 17 HA ASP 17 -11.381 -2.131 -8.350
139 HB2 ASP 17 HB2 ASP 17 -9.353 -0.115 -7.380
140 HB3 ASP 17 HB1 ASP 17 -10.185 0.017 -8.929
141 H SER 18 HN SER 18 -8.390 -3.324 -7.375
142 HA SER 18 HA SER 18 -6.790 -3.027 -9.638
143 HB2 SER 18 HB2 SER 18 -5.529 -4.919 -8.814
144 HB3 SER 18 HB1 SER 18 -6.070 -3.981 -7.426
145 HG SER 18 HG SER 18 -6.653 -6.002 -6.923
146 H SER 19 HN SER 19 -9.594 -4.925 -9.138
147 HA SER 19 HA SER 19 -9.089 -6.732 -11.355
148 HB2 SER 19 HB2 SER 19 -11.529 -6.273 -9.644
149 HB3 SER 19 HB1 SER 19 -11.437 -7.485 -10.919
150 HG SER 19 HG SER 19 -10.216 -8.680 -9.680
151 H SER 20 HN SER 20 -10.167 -3.589 -11.021
152 HA SER 20 HA SER 20 -12.023 -3.564 -13.241
153 HB2 SER 20 HB2 SER 20 -10.714 -1.236 -11.831
154 HB3 SER 20 HB1 SER 20 -12.108 -1.164 -12.905
155 HG SER 20 HG SER 20 -13.110 -2.663 -11.371
156 H1 LYS 1 HN LYS 1 -11.678 -2.551 -15.256
157 HA LYS 1 HA LYS 1 -9.016 -2.920 -16.296
158 HB2 LYS 1 HB2 LYS 1 -11.557 -1.905 -17.588
159 HB3 LYS 1 HB1 LYS 1 -10.052 -2.224 -18.452
160 HG2 LYS 1 HG2 LYS 1 -10.126 -4.582 -17.703
161 HG3 LYS 1 HG1 LYS 1 -11.642 -4.259 -16.862
162 HD2 LYS 1 HD2 LYS 1 -12.698 -3.626 -19.002
163 HD3 LYS 1 HD1 LYS 1 -11.185 -3.960 -19.845
164 HE2 LYS 1 HE2 LYS 1 -11.280 -6.309 -19.096
165 HE3 LYS 1 HE1 LYS 1 -12.796 -5.979 -18.256
166 HZ1 LYS 1 HZ1 LYS 1 -12.908 -5.086 -20.948
167 HZ2 LYS 1 HZ2 LYS 1 -13.919 -6.185 -20.137
168 HZ3 LYS 1 HZ3 LYS 1 -12.494 -6.729 -20.886
169 H ASN 2 HN ASN 2 -10.028 -0.604 -14.410
170 HA ASN 2 HA ASN 2 -9.654 1.791 -15.776
171 HB2 ASN 2 HB2 ASN 2 -9.167 2.745 -13.480
172 HB3 ASN 2 HB1 ASN 2 -10.664 1.834 -13.602
173 HD21 ASN 2 HD21 ASN 2 -7.874 -0.172 -13.730
174 HD22 ASN 2 HD22 ASN 2 -7.892 -0.682 -12.118
175 HA PRO 3 HA PRO 3 -5.304 1.980 -16.497
176 HB2 PRO 3 HB2 PRO 3 -4.863 4.696 -16.193
177 HB3 PRO 3 HB1 PRO 3 -5.608 3.966 -17.628
178 HG2 PRO 3 HG2 PRO 3 -6.911 5.290 -15.284
179 HG3 PRO 3 HG1 PRO 3 -7.298 5.417 -17.012
180 HD2 PRO 3 HD2 PRO 3 -8.744 3.881 -15.353
181 HD3 PRO 3 HD1 PRO 3 -8.469 3.407 -17.040
182 H GLU 4 HN GLU 4 -6.665 3.132 -13.533
183 HA GLU 4 HA GLU 4 -4.295 3.796 -12.136
184 HB2 GLU 4 HB2 GLU 4 -6.993 2.848 -11.161
185 HB3 GLU 4 HB1 GLU 4 -5.699 3.391 -10.091
186 HG2 GLU 4 HG2 GLU 4 -5.666 5.577 -11.210
187 HG3 GLU 4 HG1 GLU 4 -6.924 5.038 -12.322
188 H ALA 5 HN ALA 5 -5.503 0.824 -13.230
189 HA ALA 5 HA ALA 5 -4.685 -0.964 -11.235
190 HB1 ALA 5 HB1 ALA 5 -4.726 -2.663 -12.950
191 HB2 ALA 5 HB2 ALA 5 -4.617 -1.442 -14.218
192 HB3 ALA 5 HB3 ALA 5 -6.070 -1.555 -13.227
193 H GLU 6 HN GLU 6 -2.868 0.868 -13.555
194 HA GLU 6 HA GLU 6 -0.517 -0.666 -13.690
195 HB2 GLU 6 HB2 GLU 6 -0.941 2.328 -13.873
196 HB3 GLU 6 HB1 GLU 6 0.584 1.523 -14.252
197 HG2 GLU 6 HG2 GLU 6 -2.057 0.855 -15.577
198 HG3 GLU 6 HG1 GLU 6 -0.856 1.946 -16.268
199 H GLU 7 HN GLU 7 -1.629 1.703 -11.324
200 HA GLU 7 HA GLU 7 0.779 1.961 -9.877
201 HB2 GLU 7 HB2 GLU 7 -1.121 3.505 -9.596
202 HB3 GLU 7 HB1 GLU 7 -2.074 2.200 -8.887
203 HG2 GLU 7 HG2 GLU 7 -1.096 3.577 -7.112
204 HG3 GLU 7 HG1 GLU 7 -0.385 1.974 -7.073
205 H ILE 8 HN ILE 8 -1.890 -0.329 -9.656
206 HA ILE 8 HA ILE 8 -1.110 -1.625 -7.265
207 HB ILE 8 HB ILE 8 -2.736 -2.517 -9.646
208 HG12 ILE 8 HG12 ILE 8 -4.575 -2.338 -8.042
209 HG13 ILE 8 HG11 ILE 8 -3.440 -1.934 -6.757
210 HG21 ILE 8 HG21 ILE 8 -1.869 -4.062 -7.207
211 HG22 ILE 8 HG22 ILE 8 -1.866 -4.571 -8.896
212 HG23 ILE 8 HG23 ILE 8 -3.389 -4.432 -8.020
213 HD11 ILE 8 HD11 ILE 8 -3.613 -0.292 -9.280
214 HD12 ILE 8 HD12 ILE 8 -2.933 0.164 -7.712
215 HD13 ILE 8 HD13 ILE 8 -4.672 0.015 -7.912
216 H THR 9 HN THR 9 -0.310 -2.230 -10.668
217 HA THR 9 HA THR 9 1.185 -4.591 -10.292
218 HB THR 9 HB THR 9 1.503 -2.421 -12.380
219 HG1 THR 9 HG1 THR 9 -0.547 -3.638 -12.106
220 HG21 THR 9 HG21 THR 9 2.594 -5.228 -12.147
221 HG22 THR 9 HG22 THR 9 3.493 -3.733 -12.405
222 HG23 THR 9 HG23 THR 9 2.478 -4.385 -13.691
223 H ARG 10 HN ARG 10 2.122 -1.167 -10.220
224 HA ARG 10 HA ARG 10 4.906 -1.559 -9.897
225 HB2 ARG 10 HB2 ARG 10 3.870 0.612 -10.504
226 HB3 ARG 10 HB1 ARG 10 3.207 0.727 -8.873
227 HG2 ARG 10 HG2 ARG 10 5.425 0.752 -7.908
228 HG3 ARG 10 HG1 ARG 10 6.162 0.441 -9.476
229 HD2 ARG 10 HD2 ARG 10 6.362 2.807 -9.028
230 HD3 ARG 10 HD1 ARG 10 5.151 2.595 -10.290
231 HE ARG 10 HE ARG 10 3.839 2.608 -7.789
232 HH11 ARG 10 HH11 ARG 10 2.800 4.506 -7.118
233 HH12 ARG 10 HH12 ARG 10 3.227 6.023 -7.825
234 HH21 ARG 10 HH21 ARG 10 5.635 4.668 -9.920
235 HH22 ARG 10 HH22 ARG 10 4.834 6.118 -9.410
236 H CYS 11 HN CYS 11 2.246 -1.278 -7.565
237 HA CYS 11 HA CYS 11 3.792 -1.270 -5.212
238 HB2 CYS 11 HB2 CYS 11 0.976 -1.767 -5.936
239 HB3 CYS 11 HB1 CYS 11 1.506 -2.561 -4.452
240 H LYS 12 HN LYS 12 2.520 -3.923 -7.172
241 HA LYS 12 HA LYS 12 3.165 -6.047 -5.447
242 HB2 LYS 12 HB2 LYS 12 1.738 -6.254 -7.473
243 HB3 LYS 12 HB1 LYS 12 3.178 -6.064 -8.473
244 HG2 LYS 12 HG2 LYS 12 4.175 -8.067 -7.471
245 HG3 LYS 12 HG1 LYS 12 2.777 -8.246 -6.409
246 HD2 LYS 12 HD2 LYS 12 1.312 -8.526 -8.371
247 HD3 LYS 12 HD1 LYS 12 2.704 -8.340 -9.438
248 HE2 LYS 12 HE2 LYS 12 2.190 -10.721 -9.117
249 HE3 LYS 12 HE1 LYS 12 3.754 -10.330 -8.402
250 HZ1 LYS 12 HZ1 LYS 12 1.273 -10.246 -6.802
251 HZ2 LYS 12 HZ2 LYS 12 2.879 -10.377 -6.266
252 HZ3 LYS 12 HZ3 LYS 12 2.123 -11.696 -7.024
253 H LYS 13 HN LYS 13 5.059 -4.464 -8.002
254 HA LYS 13 HA LYS 13 7.344 -6.126 -7.824
255 HB2 LYS 13 HB2 LYS 13 7.020 -3.253 -8.714
256 HB3 LYS 13 HB1 LYS 13 8.521 -4.166 -8.871
257 HG2 LYS 13 HG2 LYS 13 7.350 -5.873 -10.218
258 HG3 LYS 13 HG1 LYS 13 5.852 -4.952 -10.071
259 HD2 LYS 13 HD2 LYS 13 6.888 -3.042 -11.215
260 HD3 LYS 13 HD1 LYS 13 8.407 -3.929 -11.343
261 HE2 LYS 13 HE2 LYS 13 7.289 -5.659 -12.698
262 HE3 LYS 13 HE1 LYS 13 5.766 -4.778 -12.572
263 HZ1 LYS 13 HZ1 LYS 13 6.398 -3.657 -14.360
264 HZ2 LYS 13 HZ2 LYS 13 7.953 -4.338 -14.328
265 HZ3 LYS 13 HZ3 LYS 13 7.619 -2.935 -13.430
266 H LEU 14 HN LEU 14 6.389 -3.164 -6.123
267 HA LEU 14 HA LEU 14 8.819 -2.732 -4.763
268 HB2 LEU 14 HB2 LEU 14 5.948 -1.979 -4.229
269 HB3 LEU 14 HB1 LEU 14 7.201 -1.568 -3.058
270 HG LEU 14 HG LEU 14 7.614 -0.878 -5.969
271 HD11 LEU 14 HD11 LEU 14 5.523 0.152 -5.662
272 HD12 LEU 14 HD12 LEU 14 6.655 1.428 -5.255
273 HD13 LEU 14 HD13 LEU 14 5.836 0.533 -3.973
274 HD21 LEU 14 HD21 LEU 14 9.381 -0.676 -4.086
275 HD22 LEU 14 HD22 LEU 14 8.385 0.620 -3.451
276 HD23 LEU 14 HD23 LEU 14 9.098 0.759 -5.059
277 H LEU 15 HN LEU 15 5.943 -4.615 -3.900
278 HA LEU 15 HA LEU 15 6.774 -5.329 -1.294
279 HB2 LEU 15 HB2 LEU 15 4.958 -6.733 -3.273
280 HB3 LEU 15 HB1 LEU 15 5.158 -7.237 -1.601
281 HG LEU 15 HG LEU 15 4.315 -4.442 -2.414
282 HD11 LEU 15 HD11 LEU 15 2.597 -6.038 -3.120
283 HD12 LEU 15 HD12 LEU 15 2.038 -5.151 -1.702
284 HD13 LEU 15 HD13 LEU 15 2.631 -6.804 -1.530
285 HD21 LEU 15 HD21 LEU 15 4.730 -5.888 0.189
286 HD22 LEU 15 HD22 LEU 15 3.423 -4.717 0.094
287 HD23 LEU 15 HD23 LEU 15 5.071 -4.213 -0.237
288 H ASP 16 HN ASP 16 7.257 -6.885 -4.441
289 HA ASP 16 HA ASP 16 8.657 -9.154 -3.399
290 HB2 ASP 16 HB2 ASP 16 8.482 -7.938 -6.156
291 HB3 ASP 16 HB1 ASP 16 9.406 -9.398 -5.806
292 H ASP 17 HN ASP 17 9.629 -6.014 -4.699
293 HA ASP 17 HA ASP 17 12.429 -6.526 -4.669
294 HB2 ASP 17 HB2 ASP 17 10.831 -3.965 -4.718
295 HB3 ASP 17 HB1 ASP 17 12.591 -4.008 -4.797
296 H SER 18 HN SER 18 10.195 -6.088 -2.195
297 HA SER 18 HA SER 18 11.562 -4.538 -0.327
298 HB2 SER 18 HB2 SER 18 10.144 -5.537 1.333
299 HB3 SER 18 HB1 SER 18 9.196 -5.425 -0.146
300 HG SER 18 HG SER 18 8.915 -7.474 0.436
301 H SER 19 HN SER 19 12.187 -7.715 -1.457
302 HA SER 19 HA SER 19 13.864 -8.468 0.789
303 HB2 SER 19 HB2 SER 19 13.408 -9.747 -1.905
304 HB3 SER 19 HB1 SER 19 14.438 -10.434 -0.651
305 HG SER 19 HG SER 19 12.710 -11.098 0.334
306 H SER 20 HN SER 20 14.214 -6.576 -1.956
307 HA SER 20 HA SER 20 17.024 -7.087 -2.422
308 HB2 SER 20 HB2 SER 20 15.359 -4.769 -3.411
309 HB3 SER 20 HB1 SER 20 16.900 -5.323 -4.057
310 HG SER 20 HG SER 20 15.815 -7.345 -4.491
311 H1 LYS 1 HN LYS 1 18.729 -5.633 -1.993
312 HA LYS 1 HA LYS 1 18.465 -4.222 0.506
313 HB2 LYS 1 HB2 LYS 1 20.787 -4.506 -1.414
314 HB3 LYS 1 HB1 LYS 1 20.887 -3.721 0.162
315 HG2 LYS 1 HG2 LYS 1 20.157 -5.816 1.250
316 HG3 LYS 1 HG1 LYS 1 20.077 -6.603 -0.327
317 HD2 LYS 1 HD2 LYS 1 22.487 -6.179 -0.663
318 HD3 LYS 1 HD1 LYS 1 22.568 -5.404 0.921
319 HE2 LYS 1 HE2 LYS 1 21.847 -7.506 1.993
320 HE3 LYS 1 HE1 LYS 1 21.766 -8.284 0.412
321 HZ1 LYS 1 HZ1 LYS 1 24.268 -7.006 0.773
322 HZ2 LYS 1 HZ2 LYS 1 23.936 -8.640 0.447
323 HZ3 LYS 1 HZ3 LYS 1 23.972 -8.081 2.051
324 H ASN 2 HN ASN 2 17.317 -3.362 -2.304
325 HA ASN 2 HA ASN 2 18.474 -0.917 -2.957
326 HB2 ASN 2 HB2 ASN 2 16.255 -0.426 -4.061
327 HB3 ASN 2 HB1 ASN 2 16.965 -1.970 -4.505
328 HD21 ASN 2 HD21 ASN 2 15.823 -2.053 -1.294
329 HD22 ASN 2 HD22 ASN 2 14.326 -2.784 -1.594
330 HA PRO 3 HA PRO 3 17.225 1.806 0.277
331 HB2 PRO 3 HB2 PRO 3 16.844 4.147 -1.151
332 HB3 PRO 3 HB1 PRO 3 18.436 3.498 -0.715
333 HG2 PRO 3 HG2 PRO 3 16.943 3.274 -3.296
334 HG3 PRO 3 HG1 PRO 3 18.668 3.579 -3.013
335 HD2 PRO 3 HD2 PRO 3 17.767 1.158 -3.725
336 HD3 PRO 3 HD1 PRO 3 19.142 1.334 -2.624
337 H GLU 4 HN GLU 4 15.191 1.298 -2.480
338 HA GLU 4 HA GLU 4 12.923 2.792 -1.699
339 HB2 GLU 4 HB2 GLU 4 13.192 0.311 -3.403
340 HB3 GLU 4 HB1 GLU 4 11.680 1.199 -3.199
341 HG2 GLU 4 HG2 GLU 4 12.741 3.235 -4.077
342 HG3 GLU 4 HG1 GLU 4 14.271 2.376 -4.250
343 H ALA 5 HN ALA 5 14.336 0.010 -0.373
344 HA ALA 5 HA ALA 5 12.127 -1.441 0.557
345 HB1 ALA 5 HB1 ALA 5 13.635 -2.405 2.181
346 HB2 ALA 5 HB2 ALA 5 14.766 -1.065 1.986
347 HB3 ALA 5 HB3 ALA 5 14.506 -2.200 0.660
348 H GLU 6 HN GLU 6 13.482 1.584 1.589
349 HA GLU 6 HA GLU 6 12.525 1.693 4.229
350 HB2 GLU 6 HB2 GLU 6 12.988 3.888 2.195
351 HB3 GLU 6 HB1 GLU 6 12.623 4.188 3.895
352 HG2 GLU 6 HG2 GLU 6 14.954 2.511 2.925
353 HG3 GLU 6 HG1 GLU 6 15.080 4.208 3.390
354 H GLU 7 HN GLU 7 10.965 2.417 1.151
355 HA GLU 7 HA GLU 7 8.628 3.612 2.179
356 HB2 GLU 7 HB2 GLU 7 9.249 3.725 -0.205
357 HB3 GLU 7 HB1 GLU 7 8.983 1.988 -0.355
358 HG2 GLU 7 HG2 GLU 7 7.008 3.215 -1.137
359 HG3 GLU 7 HG1 GLU 7 6.608 2.304 0.307
360 H ILE 8 HN ILE 8 9.497 0.252 1.572
361 HA ILE 8 HA ILE 8 6.961 -0.907 2.029
362 HB ILE 8 HB ILE 8 9.774 -1.969 2.278
363 HG12 ILE 8 HG12 ILE 8 9.119 -3.210 0.272
364 HG13 ILE 8 HG11 ILE 8 7.495 -2.544 0.360
365 HG21 ILE 8 HG21 ILE 8 7.138 -3.288 2.921
366 HG22 ILE 8 HG22 ILE 8 8.641 -3.313 3.845
367 HG23 ILE 8 HG23 ILE 8 8.507 -4.240 2.353
368 HD11 ILE 8 HD11 ILE 8 9.922 -0.762 0.199
369 HD12 ILE 8 HD12 ILE 8 8.238 -0.377 -0.190
370 HD13 ILE 8 HD13 ILE 8 9.176 -1.420 -1.250
371 H THR 9 HN THR 9 9.655 -0.158 4.207
372 HA THR 9 HA THR 9 8.579 -1.307 6.549
373 HB THR 9 HB THR 9 10.415 1.081 6.239
374 HG1 THR 9 HG1 THR 9 10.978 -1.120 5.426
375 HG21 THR 9 HG21 THR 9 9.645 -0.619 8.617
376 HG22 THR 9 HG22 THR 9 9.498 1.131 8.451
377 HG23 THR 9 HG23 THR 9 11.092 0.388 8.589
378 H ARG 10 HN ARG 10 8.248 1.933 5.138
379 HA ARG 10 HA ARG 10 6.740 3.090 7.233
380 HB2 ARG 10 HB2 ARG 10 7.818 4.398 5.427
381 HB3 ARG 10 HB1 ARG 10 6.653 3.739 4.278
382 HG2 ARG 10 HG2 ARG 10 4.811 4.754 5.477
383 HG3 ARG 10 HG1 ARG 10 5.885 5.291 6.765
384 HD2 ARG 10 HD2 ARG 10 5.481 7.179 5.313
385 HD3 ARG 10 HD1 ARG 10 7.137 6.639 5.050
386 HE ARG 10 HE ARG 10 5.468 5.323 3.193
387 HH11 ARG 10 HH11 ARG 10 5.380 6.100 1.064
388 HH12 ARG 10 HH12 ARG 10 5.867 7.720 0.714
389 HH21 ARG 10 HH21 ARG 10 6.647 8.478 4.006
390 HH22 ARG 10 HH22 ARG 10 6.583 9.068 2.379
391 H CYS 11 HN CYS 11 5.803 1.288 4.327
392 HA CYS 11 HA CYS 11 3.013 1.617 4.553
393 HB2 CYS 11 HB2 CYS 11 4.851 -0.220 3.137
394 HB3 CYS 11 HB1 CYS 11 3.213 -0.822 3.399
395 H LYS 12 HN LYS 12 5.222 -0.761 5.951
396 HA LYS 12 HA LYS 12 3.309 -2.503 7.049
397 HB2 LYS 12 HB2 LYS 12 5.742 -2.991 6.907
398 HB3 LYS 12 HB1 LYS 12 6.028 -1.801 8.178
399 HG2 LYS 12 HG2 LYS 12 4.624 -3.074 9.731
400 HG3 LYS 12 HG1 LYS 12 4.257 -4.244 8.462
401 HD2 LYS 12 HD2 LYS 12 6.643 -4.834 8.304
402 HD3 LYS 12 HD1 LYS 12 7.022 -3.654 9.560
403 HE2 LYS 12 HE2 LYS 12 6.863 -5.900 10.536
404 HE3 LYS 12 HE1 LYS 12 5.553 -4.884 11.137
405 HZ1 LYS 12 HZ1 LYS 12 5.190 -6.583 8.750
406 HZ2 LYS 12 HZ2 LYS 12 4.010 -5.935 9.785
407 HZ3 LYS 12 HZ3 LYS 12 4.989 -7.221 10.308
408 H LYS 13 HN LYS 13 4.845 0.412 8.381
409 HA LYS 13 HA LYS 13 3.637 0.305 10.939
410 HB2 LYS 13 HB2 LYS 13 4.673 2.636 9.311
411 HB3 LYS 13 HB1 LYS 13 4.141 2.767 10.988
412 HG2 LYS 13 HG2 LYS 13 5.807 1.061 11.647
413 HG3 LYS 13 HG1 LYS 13 6.352 0.960 9.973
414 HD2 LYS 13 HD2 LYS 13 6.978 3.341 10.017
415 HD3 LYS 13 HD1 LYS 13 6.424 3.458 11.687
416 HE2 LYS 13 HE2 LYS 13 8.090 1.774 12.366
417 HE3 LYS 13 HE1 LYS 13 8.645 1.646 10.697
418 HZ1 LYS 13 HZ1 LYS 13 10.034 3.289 11.186
419 HZ2 LYS 13 HZ2 LYS 13 9.270 3.612 12.669
420 HZ3 LYS 13 HZ3 LYS 13 8.692 4.324 11.238
421 H LEU 14 HN LEU 14 2.617 1.734 7.860
422 HA LEU 14 HA LEU 14 0.351 3.104 8.832
423 HB2 LEU 14 HB2 LEU 14 1.142 1.999 6.140
424 HB3 LEU 14 HB1 LEU 14 -0.438 2.750 6.363
425 HG LEU 14 HG LEU 14 2.031 4.205 7.316
426 HD11 LEU 14 HD11 LEU 14 2.714 3.817 5.107
427 HD12 LEU 14 HD12 LEU 14 1.881 5.356 4.984
428 HD13 LEU 14 HD13 LEU 14 1.074 3.873 4.470
429 HD21 LEU 14 HD21 LEU 14 -0.431 4.903 7.749
430 HD22 LEU 14 HD22 LEU 14 -0.504 5.257 6.031
431 HD23 LEU 14 HD23 LEU 14 0.633 6.123 7.066
432 H LEU 15 HN LEU 15 0.768 -0.193 7.599
433 HA LEU 15 HA LEU 15 -1.962 -0.927 7.656
434 HB2 LEU 15 HB2 LEU 15 0.563 -2.580 7.953
435 HB3 LEU 15 HB1 LEU 15 -1.044 -3.270 7.770
436 HG LEU 15 HG LEU 15 0.177 -1.319 5.799
437 HD11 LEU 15 HD11 LEU 15 1.484 -3.385 5.800
438 HD12 LEU 15 HD12 LEU 15 0.482 -3.323 4.350
439 HD13 LEU 15 HD13 LEU 15 0.006 -4.344 5.707
440 HD21 LEU 15 HD21 LEU 15 -2.409 -2.843 5.982
441 HD22 LEU 15 HD22 LEU 15 -1.700 -2.589 4.392
442 HD23 LEU 15 HD23 LEU 15 -2.102 -1.209 5.396
443 H ASP 16 HN ASP 16 0.597 -1.148 10.097
444 HA ASP 16 HA ASP 16 -1.040 -2.431 12.066
445 HB2 ASP 16 HB2 ASP 16 1.564 -0.912 12.238
446 HB3 ASP 16 HB1 ASP 16 0.788 -1.661 13.634
447 H ASP 17 HN ASP 17 -0.167 0.918 11.349
448 HA ASP 17 HA ASP 17 -1.426 2.056 13.633
449 HB2 ASP 17 HB2 ASP 17 -0.565 3.217 10.986
450 HB3 ASP 17 HB1 ASP 17 -1.288 4.188 12.267
451 H SER 18 HN SER 18 -2.667 0.614 10.858
452 HA SER 18 HA SER 18 -4.881 2.183 10.230
453 HB2 SER 18 HB2 SER 18 -5.840 0.169 9.259
454 HB3 SER 18 HB1 SER 18 -4.111 0.195 8.931
455 HG SER 18 HG SER 18 -4.582 -1.815 9.719
456 H SER 19 HN SER 19 -4.248 0.253 12.985
457 HA SER 19 HA SER 19 -7.025 0.034 13.799
458 HB2 SER 19 HB2 SER 19 -4.450 -0.621 15.224
459 HB3 SER 19 HB1 SER 19 -6.049 -0.899 15.908
460 HG SER 19 HG SER 19 -6.181 -2.623 14.726
461 H SER 20 HN SER 20 -4.644 2.388 13.944
462 HA SER 20 HA SER 20 -5.446 3.607 16.437
463 HB2 SER 20 HB2 SER 20 -3.786 4.780 14.197
464 HB3 SER 20 HB1 SER 20 -3.906 5.388 15.845
465 HG SER 20 HG SER 20 -3.135 3.223 16.462
466 H2 ZBR 100 HA3 TBS 100 -1.826 0.360 -1.656
467 H4 ZBR 100 HC3 TBS 100 0.630 0.629 1.898
468 H6 ZBR 100 HB3 TBS 100 2.369 -0.689 -1.836
469 H7 ZBR 100 HB11 TBS 100 -0.713 0.112 -3.783
470 H7A ZBR 100 HB12 TBS 100 -0.226 -1.545 -3.466
471 H8 ZBR 100 HA11 TBS 100 -1.550 1.625 1.838
472 H8A ZBR 100 HA12 TBS 100 -2.397 0.148 1.418
473 H9 ZBR 100 HC11 TBS 100 3.769 -0.143 0.019
474 H9A ZBR 100 HC12 TBS 100 3.024 -1.183 1.221
Start of MODEL 19
1 H1 LYS 1 HN LYS 1 -5.899 5.746 17.034
2 HA LYS 1 HA LYS 1 -8.150 6.162 15.280
3 HB2 LYS 1 HB2 LYS 1 -7.227 7.666 17.741
4 HB3 LYS 1 HB1 LYS 1 -8.754 7.946 16.905
5 HG2 LYS 1 HG2 LYS 1 -9.415 5.610 17.316
6 HG3 LYS 1 HG1 LYS 1 -7.889 5.321 18.151
7 HD2 LYS 1 HD2 LYS 1 -8.483 7.110 19.784
8 HD3 LYS 1 HD1 LYS 1 -10.046 7.281 18.985
9 HE2 LYS 1 HE2 LYS 1 -9.006 4.725 20.240
10 HE3 LYS 1 HE1 LYS 1 -10.185 5.807 20.979
11 HZ1 LYS 1 HZ1 LYS 1 -10.951 3.758 19.588
12 HZ2 LYS 1 HZ2 LYS 1 -10.691 4.796 18.270
13 HZ3 LYS 1 HZ3 LYS 1 -11.795 5.226 19.488
14 H ASN 2 HN ASN 2 -5.140 6.861 14.745
15 HA ASN 2 HA ASN 2 -4.987 9.636 14.337
16 HB2 ASN 2 HB2 ASN 2 -3.054 9.072 12.878
17 HB3 ASN 2 HB1 ASN 2 -3.006 8.225 14.419
18 HD21 ASN 2 HD21 ASN 2 -1.617 7.247 12.121
19 HD22 ASN 2 HD22 ASN 2 -2.346 5.792 11.636
20 HA PRO 3 HA PRO 3 -7.447 10.296 10.708
21 HB2 PRO 3 HB2 PRO 3 -6.027 12.301 9.441
22 HB3 PRO 3 HB1 PRO 3 -7.046 12.567 10.871
23 HG2 PRO 3 HG2 PRO 3 -4.084 12.181 10.713
24 HG3 PRO 3 HG1 PRO 3 -5.016 13.354 11.663
25 HD2 PRO 3 HD2 PRO 3 -4.023 11.129 12.802
26 HD3 PRO 3 HD1 PRO 3 -5.603 11.778 13.286
27 H GLU 4 HN GLU 4 -4.123 9.380 10.473
28 HA GLU 4 HA GLU 4 -3.876 9.108 7.668
29 HB2 GLU 4 HB2 GLU 4 -2.491 7.669 9.938
30 HB3 GLU 4 HB1 GLU 4 -2.048 7.481 8.239
31 HG2 GLU 4 HG2 GLU 4 -1.620 9.888 8.061
32 HG3 GLU 4 HG1 GLU 4 -2.108 10.113 9.740
33 H ALA 5 HN ALA 5 -5.731 7.388 9.928
34 HA ALA 5 HA ALA 5 -5.745 4.782 8.907
35 HB1 ALA 5 HB1 ALA 5 -6.817 5.524 11.043
36 HB2 ALA 5 HB2 ALA 5 -7.869 4.524 10.038
37 HB3 ALA 5 HB3 ALA 5 -8.098 6.272 10.090
38 H GLU 6 HN GLU 6 -7.177 7.717 7.695
39 HA GLU 6 HA GLU 6 -9.167 6.627 6.021
40 HB2 GLU 6 HB2 GLU 6 -7.499 9.140 5.749
41 HB3 GLU 6 HB1 GLU 6 -8.887 8.763 4.728
42 HG2 GLU 6 HG2 GLU 6 -8.996 8.933 7.753
43 HG3 GLU 6 HG1 GLU 6 -9.453 10.248 6.672
44 H GLU 7 HN GLU 7 -5.703 7.152 5.539
45 HA GLU 7 HA GLU 7 -5.607 6.526 2.782
46 HB2 GLU 7 HB2 GLU 7 -3.548 6.405 4.989
47 HB3 GLU 7 HB1 GLU 7 -3.163 5.958 3.326
48 HG2 GLU 7 HG2 GLU 7 -4.397 8.617 4.099
49 HG3 GLU 7 HG1 GLU 7 -2.662 8.370 3.898
50 H ILE 8 HN ILE 8 -5.461 4.512 5.675
51 HA ILE 8 HA ILE 8 -4.734 2.080 4.410
52 HB ILE 8 HB ILE 8 -6.195 2.759 6.966
53 HG12 ILE 8 HG12 ILE 8 -4.160 1.914 7.996
54 HG13 ILE 8 HG11 ILE 8 -3.544 1.384 6.434
55 HG21 ILE 8 HG21 ILE 8 -5.707 0.040 5.744
56 HG22 ILE 8 HG22 ILE 8 -7.199 0.677 6.431
57 HG23 ILE 8 HG23 ILE 8 -5.853 0.253 7.489
58 HD11 ILE 8 HD11 ILE 8 -4.248 4.267 6.982
59 HD12 ILE 8 HD12 ILE 8 -3.247 3.619 5.681
60 HD13 ILE 8 HD13 ILE 8 -2.652 3.615 7.341
61 H THR 9 HN THR 9 -7.908 3.545 5.130
62 HA THR 9 HA THR 9 -9.485 1.422 4.134
63 HB THR 9 HB THR 9 -10.093 4.386 4.243
64 HG1 THR 9 HG1 THR 9 -10.512 4.020 6.263
65 HG21 THR 9 HG21 THR 9 -11.798 1.946 3.732
66 HG22 THR 9 HG22 THR 9 -11.686 3.420 2.771
67 HG23 THR 9 HG23 THR 9 -12.485 3.450 4.342
68 H ARG 10 HN ARG 10 -8.154 4.323 2.591
69 HA ARG 10 HA ARG 10 -9.327 3.917 0.046
70 HB2 ARG 10 HB2 ARG 10 -8.334 6.065 0.765
71 HB3 ARG 10 HB1 ARG 10 -6.734 5.325 0.727
72 HG2 ARG 10 HG2 ARG 10 -6.904 4.924 -1.653
73 HG3 ARG 10 HG1 ARG 10 -8.590 5.441 -1.666
74 HD2 ARG 10 HD2 ARG 10 -7.197 7.267 -2.482
75 HD3 ARG 10 HD1 ARG 10 -7.872 7.704 -0.917
76 HE ARG 10 HE ARG 10 -5.719 7.601 0.007
77 HH11 ARG 10 HH11 ARG 10 -3.466 7.552 -0.215
78 HH12 ARG 10 HH12 ARG 10 -2.756 7.020 -1.702
79 HH21 ARG 10 HH21 ARG 10 -5.799 6.431 -3.251
80 HH22 ARG 10 HH22 ARG 10 -4.077 6.386 -3.419
81 H CYS 11 HN CYS 11 -6.291 2.860 1.497
82 HA CYS 11 HA CYS 11 -5.019 1.749 -0.709
83 HB2 CYS 11 HB2 CYS 11 -4.170 1.975 1.695
84 HB3 CYS 11 HB1 CYS 11 -5.030 0.472 2.019
85 H LYS 12 HN LYS 12 -7.402 0.264 1.478
86 HA LYS 12 HA LYS 12 -7.353 -2.275 0.289
87 HB2 LYS 12 HB2 LYS 12 -8.373 -1.806 2.501
88 HB3 LYS 12 HB1 LYS 12 -9.657 -0.909 1.701
89 HG2 LYS 12 HG2 LYS 12 -10.500 -3.120 2.183
90 HG3 LYS 12 HG1 LYS 12 -10.252 -3.020 0.444
91 HD2 LYS 12 HD2 LYS 12 -8.182 -4.272 0.604
92 HD3 LYS 12 HD1 LYS 12 -8.223 -4.200 2.364
93 HE2 LYS 12 HE2 LYS 12 -10.294 -5.547 2.353
94 HE3 LYS 12 HE1 LYS 12 -10.236 -5.610 0.590
95 HZ1 LYS 12 HZ1 LYS 12 -8.828 -7.294 0.715
96 HZ2 LYS 12 HZ2 LYS 12 -8.922 -7.263 2.411
97 HZ3 LYS 12 HZ3 LYS 12 -7.733 -6.354 1.606
98 H LYS 13 HN LYS 13 -9.326 0.580 -0.329
99 HA LYS 13 HA LYS 13 -11.029 -0.548 -2.272
100 HB2 LYS 13 HB2 LYS 13 -10.084 2.290 -1.843
101 HB3 LYS 13 HB1 LYS 13 -11.323 1.849 -3.013
102 HG2 LYS 13 HG2 LYS 13 -11.508 1.195 -0.057
103 HG3 LYS 13 HG1 LYS 13 -12.209 2.643 -0.775
104 HD2 LYS 13 HD2 LYS 13 -13.426 1.023 -2.393
105 HD3 LYS 13 HD1 LYS 13 -12.977 -0.243 -1.254
106 HE2 LYS 13 HE2 LYS 13 -14.492 2.260 -0.476
107 HE3 LYS 13 HE1 LYS 13 -15.246 0.700 -0.805
108 HZ1 LYS 13 HZ1 LYS 13 -13.536 -0.143 0.924
109 HZ2 LYS 13 HZ2 LYS 13 -14.952 0.629 1.457
110 HZ3 LYS 13 HZ3 LYS 13 -13.482 1.478 1.416
111 H LEU 14 HN LEU 14 -7.856 0.961 -2.522
112 HA LEU 14 HA LEU 14 -7.710 1.077 -5.335
113 HB2 LEU 14 HB2 LEU 14 -5.604 0.817 -3.184
114 HB3 LEU 14 HB1 LEU 14 -5.200 1.019 -4.883
115 HG LEU 14 HG LEU 14 -7.015 2.940 -3.386
116 HD11 LEU 14 HD11 LEU 14 -4.038 2.729 -3.405
117 HD12 LEU 14 HD12 LEU 14 -5.114 3.476 -2.227
118 HD13 LEU 14 HD13 LEU 14 -4.689 4.342 -3.694
119 HD21 LEU 14 HD21 LEU 14 -7.326 3.308 -5.688
120 HD22 LEU 14 HD22 LEU 14 -5.654 2.903 -6.083
121 HD23 LEU 14 HD23 LEU 14 -6.032 4.442 -5.311
122 H LEU 15 HN LEU 15 -6.817 -1.477 -3.032
123 HA LEU 15 HA LEU 15 -5.686 -3.238 -4.940
124 HB2 LEU 15 HB2 LEU 15 -6.966 -3.744 -2.247
125 HB3 LEU 15 HB1 LEU 15 -6.112 -4.976 -3.175
126 HG LEU 15 HG LEU 15 -4.889 -2.334 -2.325
127 HD11 LEU 15 HD11 LEU 15 -3.723 -3.603 -0.597
128 HD12 LEU 15 HD12 LEU 15 -4.520 -5.088 -1.119
129 HD13 LEU 15 HD13 LEU 15 -5.466 -3.788 -0.395
130 HD21 LEU 15 HD21 LEU 15 -3.891 -4.742 -3.832
131 HD22 LEU 15 HD22 LEU 15 -2.767 -3.883 -2.778
132 HD23 LEU 15 HD23 LEU 15 -3.553 -3.031 -4.099
133 H ASP 16 HN ASP 16 -8.972 -2.869 -3.678
134 HA ASP 16 HA ASP 16 -10.127 -5.098 -4.988
135 HB2 ASP 16 HB2 ASP 16 -11.294 -2.513 -3.953
136 HB3 ASP 16 HB1 ASP 16 -12.283 -3.789 -4.662
137 H ASP 17 HN ASP 17 -9.581 -1.772 -5.969
138 HA ASP 17 HA ASP 17 -11.116 -1.802 -8.342
139 HB2 ASP 17 HB2 ASP 17 -8.744 -0.143 -7.485
140 HB3 ASP 17 HB1 ASP 17 -9.598 0.116 -9.005
141 H SER 18 HN SER 18 -8.324 -3.493 -7.544
142 HA SER 18 HA SER 18 -6.813 -3.421 -9.884
143 HB2 SER 18 HB2 SER 18 -5.867 -5.533 -9.147
144 HB3 SER 18 HB1 SER 18 -6.122 -4.501 -7.740
145 HG SER 18 HG SER 18 -7.927 -5.650 -7.226
146 H SER 19 HN SER 19 -9.836 -4.868 -9.231
147 HA SER 19 HA SER 19 -9.748 -6.685 -11.497
148 HB2 SER 19 HB2 SER 19 -12.006 -5.941 -9.631
149 HB3 SER 19 HB1 SER 19 -12.108 -7.169 -10.890
150 HG SER 19 HG SER 19 -10.594 -8.371 -9.827
151 H SER 20 HN SER 20 -10.411 -3.449 -10.979
152 HA SER 20 HA SER 20 -12.372 -3.107 -13.077
153 HB2 SER 20 HB2 SER 20 -12.289 -1.588 -11.118
154 HB3 SER 20 HB1 SER 20 -10.707 -1.020 -11.648
155 HG SER 20 HG SER 20 -13.009 -0.080 -12.374
156 H1 LYS 1 HN LYS 1 -12.038 -2.135 -15.080
157 HA LYS 1 HA LYS 1 -9.474 -2.693 -16.284
158 HB2 LYS 1 HB2 LYS 1 -11.984 -1.432 -17.412
159 HB3 LYS 1 HB1 LYS 1 -10.567 -1.887 -18.360
160 HG2 LYS 1 HG2 LYS 1 -10.828 -4.228 -17.638
161 HG3 LYS 1 HG1 LYS 1 -12.245 -3.780 -16.689
162 HD2 LYS 1 HD2 LYS 1 -13.342 -2.967 -18.778
163 HD3 LYS 1 HD1 LYS 1 -11.951 -3.545 -19.698
164 HE2 LYS 1 HE2 LYS 1 -13.713 -5.278 -17.939
165 HE3 LYS 1 HE1 LYS 1 -13.809 -5.194 -19.698
166 HZ1 LYS 1 HZ1 LYS 1 -12.374 -7.010 -18.513
167 HZ2 LYS 1 HZ2 LYS 1 -11.213 -5.771 -18.463
168 HZ3 LYS 1 HZ3 LYS 1 -11.842 -6.289 -19.953
169 H ASN 2 HN ASN 2 -10.212 -0.374 -14.294
170 HA ASN 2 HA ASN 2 -9.703 2.049 -15.629
171 HB2 ASN 2 HB2 ASN 2 -9.262 2.933 -13.351
172 HB3 ASN 2 HB1 ASN 2 -10.729 1.968 -13.421
173 HD21 ASN 2 HD21 ASN 2 -9.314 2.394 -10.972
174 HD22 ASN 2 HD22 ASN 2 -8.670 0.908 -10.463
175 HA PRO 3 HA PRO 3 -5.332 1.917 -16.372
176 HB2 PRO 3 HB2 PRO 3 -4.637 4.569 -16.024
177 HB3 PRO 3 HB1 PRO 3 -5.479 3.952 -17.460
178 HG2 PRO 3 HG2 PRO 3 -6.614 5.302 -15.044
179 HG3 PRO 3 HG1 PRO 3 -6.989 5.564 -16.758
180 HD2 PRO 3 HD2 PRO 3 -8.608 4.086 -15.200
181 HD3 PRO 3 HD1 PRO 3 -8.328 3.653 -16.899
182 H GLU 4 HN GLU 4 -6.598 3.049 -13.362
183 HA GLU 4 HA GLU 4 -4.192 3.504 -11.945
184 HB2 GLU 4 HB2 GLU 4 -6.934 2.661 -10.995
185 HB3 GLU 4 HB1 GLU 4 -5.607 3.083 -9.911
186 HG2 GLU 4 HG2 GLU 4 -5.452 5.307 -10.933
187 HG3 GLU 4 HG1 GLU 4 -6.740 4.892 -12.063
188 H ALA 5 HN ALA 5 -5.577 0.652 -13.152
189 HA ALA 5 HA ALA 5 -4.844 -1.278 -11.262
190 HB1 ALA 5 HB1 ALA 5 -6.268 -1.676 -13.277
191 HB2 ALA 5 HB2 ALA 5 -4.988 -2.874 -13.079
192 HB3 ALA 5 HB3 ALA 5 -4.815 -1.588 -14.273
193 H GLU 6 HN GLU 6 -2.921 0.542 -13.525
194 HA GLU 6 HA GLU 6 -0.654 -1.127 -13.682
195 HB2 GLU 6 HB2 GLU 6 -0.924 1.885 -13.838
196 HB3 GLU 6 HB1 GLU 6 0.559 1.010 -14.217
197 HG2 GLU 6 HG2 GLU 6 -2.107 0.494 -15.565
198 HG3 GLU 6 HG1 GLU 6 -0.845 1.526 -16.237
199 H GLU 7 HN GLU 7 -1.639 1.305 -11.312
200 HA GLU 7 HA GLU 7 0.762 1.368 -9.818
201 HB2 GLU 7 HB2 GLU 7 -2.110 1.988 -9.116
202 HB3 GLU 7 HB1 GLU 7 -0.802 2.154 -7.944
203 HG2 GLU 7 HG2 GLU 7 -0.781 3.483 -10.667
204 HG3 GLU 7 HG1 GLU 7 -1.347 4.281 -9.198
205 H ILE 8 HN ILE 8 -2.070 -0.732 -9.663
206 HA ILE 8 HA ILE 8 -1.423 -2.067 -7.247
207 HB ILE 8 HB ILE 8 -3.062 -2.808 -9.675
208 HG12 ILE 8 HG12 ILE 8 -4.916 -2.568 -8.116
209 HG13 ILE 8 HG11 ILE 8 -3.803 -2.353 -6.767
210 HG21 ILE 8 HG21 ILE 8 -2.368 -4.511 -7.276
211 HG22 ILE 8 HG22 ILE 8 -2.307 -4.949 -8.982
212 HG23 ILE 8 HG23 ILE 8 -3.862 -4.754 -8.179
213 HD11 ILE 8 HD11 ILE 8 -3.784 -0.515 -9.161
214 HD12 ILE 8 HD12 ILE 8 -3.088 -0.233 -7.565
215 HD13 ILE 8 HD13 ILE 8 -4.838 -0.227 -7.781
216 H THR 9 HN THR 9 -0.616 -2.762 -10.652
217 HA THR 9 HA THR 9 0.784 -5.171 -10.177
218 HB THR 9 HB THR 9 1.171 -3.114 -12.366
219 HG1 THR 9 HG1 THR 9 -0.496 -4.030 -13.248
220 HG21 THR 9 HG21 THR 9 2.170 -5.939 -11.987
221 HG22 THR 9 HG22 THR 9 3.100 -4.496 -12.393
222 HG23 THR 9 HG23 THR 9 2.018 -5.214 -13.587
223 H ARG 10 HN ARG 10 1.837 -1.789 -10.301
224 HA ARG 10 HA ARG 10 4.599 -2.283 -9.928
225 HB2 ARG 10 HB2 ARG 10 3.691 -0.128 -10.733
226 HB3 ARG 10 HB1 ARG 10 2.993 0.159 -9.140
227 HG2 ARG 10 HG2 ARG 10 5.183 0.194 -8.114
228 HG3 ARG 10 HG1 ARG 10 5.948 -0.315 -9.621
229 HD2 ARG 10 HD2 ARG 10 6.234 2.090 -9.365
230 HD3 ARG 10 HD1 ARG 10 5.134 1.777 -10.701
231 HE ARG 10 HE ARG 10 3.387 2.704 -9.441
232 HH11 ARG 10 HH11 ARG 10 2.636 3.943 -7.703
233 HH12 ARG 10 HH12 ARG 10 3.642 4.186 -6.316
234 HH21 ARG 10 HH21 ARG 10 6.284 2.335 -7.580
235 HH22 ARG 10 HH22 ARG 10 5.706 3.277 -6.247
236 H CYS 11 HN CYS 11 1.924 -1.741 -7.694
237 HA CYS 11 HA CYS 11 3.293 -1.525 -5.285
238 HB2 CYS 11 HB2 CYS 11 0.779 -1.334 -5.731
239 HB3 CYS 11 HB1 CYS 11 0.739 -3.092 -5.604
240 H LYS 12 HN LYS 12 2.216 -4.463 -6.984
241 HA LYS 12 HA LYS 12 3.082 -6.273 -5.025
242 HB2 LYS 12 HB2 LYS 12 1.554 -6.876 -6.885
243 HB3 LYS 12 HB1 LYS 12 2.889 -6.700 -8.016
244 HG2 LYS 12 HG2 LYS 12 2.642 -9.053 -7.530
245 HG3 LYS 12 HG1 LYS 12 4.117 -8.504 -6.742
246 HD2 LYS 12 HD2 LYS 12 3.004 -8.412 -4.589
247 HD3 LYS 12 HD1 LYS 12 1.436 -8.708 -5.336
248 HE2 LYS 12 HE2 LYS 12 2.217 -10.943 -6.045
249 HE3 LYS 12 HE1 LYS 12 3.782 -10.630 -5.291
250 HZ1 LYS 12 HZ1 LYS 12 2.950 -11.253 -3.354
251 HZ2 LYS 12 HZ2 LYS 12 1.453 -11.587 -4.087
252 HZ3 LYS 12 HZ3 LYS 12 1.761 -10.045 -3.444
253 H LYS 13 HN LYS 13 4.689 -4.920 -7.860
254 HA LYS 13 HA LYS 13 7.078 -6.406 -7.684
255 HB2 LYS 13 HB2 LYS 13 6.510 -3.661 -8.813
256 HB3 LYS 13 HB1 LYS 13 8.055 -4.483 -8.997
257 HG2 LYS 13 HG2 LYS 13 5.413 -5.675 -9.891
258 HG3 LYS 13 HG1 LYS 13 6.469 -4.751 -10.956
259 HD2 LYS 13 HD2 LYS 13 8.318 -6.434 -10.268
260 HD3 LYS 13 HD1 LYS 13 7.001 -7.428 -9.652
261 HE2 LYS 13 HE2 LYS 13 7.134 -6.380 -12.489
262 HE3 LYS 13 HE1 LYS 13 7.629 -8.000 -12.003
263 HZ1 LYS 13 HZ1 LYS 13 5.281 -8.070 -10.953
264 HZ2 LYS 13 HZ2 LYS 13 5.458 -8.327 -12.623
265 HZ3 LYS 13 HZ3 LYS 13 4.938 -6.817 -12.043
266 H LEU 14 HN LEU 14 6.077 -3.387 -6.177
267 HA LEU 14 HA LEU 14 8.562 -2.672 -5.055
268 HB2 LEU 14 HB2 LEU 14 5.706 -2.139 -4.221
269 HB3 LEU 14 HB1 LEU 14 7.083 -1.428 -3.389
270 HG LEU 14 HG LEU 14 6.652 -1.146 -6.381
271 HD11 LEU 14 HD11 LEU 14 5.383 0.320 -4.111
272 HD12 LEU 14 HD12 LEU 14 4.832 0.106 -5.770
273 HD13 LEU 14 HD13 LEU 14 6.036 1.328 -5.401
274 HD21 LEU 14 HD21 LEU 14 8.886 -0.574 -5.914
275 HD22 LEU 14 HD22 LEU 14 8.488 0.094 -4.329
276 HD23 LEU 14 HD23 LEU 14 8.074 0.983 -5.795
277 H LEU 15 HN LEU 15 5.914 -4.699 -3.826
278 HA LEU 15 HA LEU 15 7.029 -5.142 -1.259
279 HB2 LEU 15 HB2 LEU 15 5.095 -6.768 -2.921
280 HB3 LEU 15 HB1 LEU 15 5.481 -7.123 -1.237
281 HG LEU 15 HG LEU 15 4.398 -4.460 -2.210
282 HD11 LEU 15 HD11 LEU 15 2.247 -5.180 -1.297
283 HD12 LEU 15 HD12 LEU 15 2.944 -6.732 -0.830
284 HD13 LEU 15 HD13 LEU 15 2.783 -6.315 -2.536
285 HD21 LEU 15 HD21 LEU 15 5.136 -5.592 0.482
286 HD22 LEU 15 HD22 LEU 15 3.787 -4.459 0.381
287 HD23 LEU 15 HD23 LEU 15 5.386 -3.966 -0.158
288 H ASP 16 HN ASP 16 7.305 -6.891 -4.322
289 HA ASP 16 HA ASP 16 8.804 -9.092 -3.362
290 HB2 ASP 16 HB2 ASP 16 8.562 -7.829 -6.094
291 HB3 ASP 16 HB1 ASP 16 9.522 -9.278 -5.794
292 H ASP 17 HN ASP 17 9.713 -5.904 -4.510
293 HA ASP 17 HA ASP 17 12.503 -6.320 -4.681
294 HB2 ASP 17 HB2 ASP 17 10.849 -3.829 -4.266
295 HB3 ASP 17 HB1 ASP 17 12.602 -3.799 -4.446
296 H SER 18 HN SER 18 10.476 -6.314 -2.000
297 HA SER 18 HA SER 18 11.951 -4.965 -0.058
298 HB2 SER 18 HB2 SER 18 10.736 -6.298 1.566
299 HB3 SER 18 HB1 SER 18 9.648 -5.889 0.242
300 HG SER 18 HG SER 18 9.873 -7.916 -0.573
301 H SER 19 HN SER 19 12.541 -7.932 -1.642
302 HA SER 19 HA SER 19 14.421 -8.915 0.343
303 HB2 SER 19 HB2 SER 19 13.736 -9.921 -2.422
304 HB3 SER 19 HB1 SER 19 14.841 -10.725 -1.311
305 HG SER 19 HG SER 19 13.169 -11.085 0.079
306 H SER 20 HN SER 20 14.466 -6.759 -2.214
307 HA SER 20 HA SER 20 17.220 -7.149 -3.010
308 HB2 SER 20 HB2 SER 20 15.522 -6.265 -4.591
309 HB3 SER 20 HB1 SER 20 15.365 -4.826 -3.587
310 HG SER 20 HG SER 20 17.067 -5.185 -5.503
311 H1 LYS 1 HN LYS 1 18.937 -5.711 -2.617
312 HA LYS 1 HA LYS 1 18.897 -4.518 0.019
313 HB2 LYS 1 HB2 LYS 1 21.064 -4.645 -2.091
314 HB3 LYS 1 HB1 LYS 1 21.286 -4.037 -0.449
315 HG2 LYS 1 HG2 LYS 1 20.606 -6.225 0.458
316 HG3 LYS 1 HG1 LYS 1 20.385 -6.838 -1.180
317 HD2 LYS 1 HD2 LYS 1 22.786 -6.350 -1.649
318 HD3 LYS 1 HD1 LYS 1 22.985 -5.860 0.034
319 HE2 LYS 1 HE2 LYS 1 22.052 -8.597 -0.882
320 HE3 LYS 1 HE1 LYS 1 23.683 -8.216 -0.330
321 HZ1 LYS 1 HZ1 LYS 1 21.924 -9.150 1.318
322 HZ2 LYS 1 HZ2 LYS 1 21.396 -7.538 1.384
323 HZ3 LYS 1 HZ3 LYS 1 22.991 -7.931 1.817
324 H ASN 2 HN ASN 2 17.555 -3.459 -2.622
325 HA ASN 2 HA ASN 2 18.690 -0.944 -3.169
326 HB2 ASN 2 HB2 ASN 2 16.498 -0.455 -4.231
327 HB3 ASN 2 HB1 ASN 2 17.130 -2.029 -4.692
328 HD21 ASN 2 HD21 ASN 2 14.340 -1.411 -4.852
329 HD22 ASN 2 HD22 ASN 2 13.519 -2.361 -3.711
330 HA PRO 3 HA PRO 3 17.489 1.517 0.321
331 HB2 PRO 3 HB2 PRO 3 17.034 3.971 -0.867
332 HB3 PRO 3 HB1 PRO 3 18.653 3.308 -0.566
333 HG2 PRO 3 HG2 PRO 3 17.040 3.267 -3.084
334 HG3 PRO 3 HG1 PRO 3 18.762 3.630 -2.857
335 HD2 PRO 3 HD2 PRO 3 17.961 1.219 -3.741
336 HD3 PRO 3 HD1 PRO 3 19.347 1.376 -2.642
337 H GLU 4 HN GLU 4 15.378 1.111 -2.386
338 HA GLU 4 HA GLU 4 13.100 2.508 -1.457
339 HB2 GLU 4 HB2 GLU 4 13.361 0.122 -3.294
340 HB3 GLU 4 HB1 GLU 4 11.841 0.967 -2.992
341 HG2 GLU 4 HG2 GLU 4 12.822 3.065 -3.796
342 HG3 GLU 4 HG1 GLU 4 14.368 2.259 -4.055
343 H ALA 5 HN ALA 5 14.615 -0.309 -0.327
344 HA ALA 5 HA ALA 5 12.481 -1.862 0.610
345 HB1 ALA 5 HB1 ALA 5 14.894 -2.537 0.588
346 HB2 ALA 5 HB2 ALA 5 14.085 -2.860 2.122
347 HB3 ALA 5 HB3 ALA 5 15.159 -1.469 1.967
348 H GLU 6 HN GLU 6 13.810 1.139 1.781
349 HA GLU 6 HA GLU 6 12.880 1.074 4.441
350 HB2 GLU 6 HB2 GLU 6 13.312 3.393 2.541
351 HB3 GLU 6 HB1 GLU 6 12.973 3.580 4.262
352 HG2 GLU 6 HG2 GLU 6 15.297 1.983 3.150
353 HG3 GLU 6 HG1 GLU 6 15.421 3.649 3.714
354 H GLU 7 HN GLU 7 11.308 2.005 1.411
355 HA GLU 7 HA GLU 7 8.940 3.071 2.528
356 HB2 GLU 7 HB2 GLU 7 9.571 1.848 -0.160
357 HB3 GLU 7 HB1 GLU 7 7.964 2.458 0.236
358 HG2 GLU 7 HG2 GLU 7 10.491 4.108 0.506
359 HG3 GLU 7 HG1 GLU 7 9.455 4.139 -0.921
360 H ILE 8 HN ILE 8 9.881 -0.219 1.669
361 HA ILE 8 HA ILE 8 7.343 -1.437 1.998
362 HB ILE 8 HB ILE 8 10.186 -2.440 2.177
363 HG12 ILE 8 HG12 ILE 8 9.581 -3.590 0.116
364 HG13 ILE 8 HG11 ILE 8 7.906 -3.070 0.276
365 HG21 ILE 8 HG21 ILE 8 7.622 -3.928 2.761
366 HG22 ILE 8 HG22 ILE 8 9.109 -3.899 3.706
367 HG23 ILE 8 HG23 ILE 8 9.058 -4.762 2.173
368 HD11 ILE 8 HD11 ILE 8 10.183 -1.098 0.125
369 HD12 ILE 8 HD12 ILE 8 8.466 -0.801 -0.150
370 HD13 ILE 8 HD13 ILE 8 9.403 -1.724 -1.324
371 H THR 9 HN THR 9 10.026 -0.857 4.275
372 HA THR 9 HA THR 9 8.850 -2.131 6.506
373 HB THR 9 HB THR 9 10.785 0.198 6.414
374 HG1 THR 9 HG1 THR 9 12.232 -1.278 6.080
375 HG21 THR 9 HG21 THR 9 9.844 -1.618 8.636
376 HG22 THR 9 HG22 THR 9 9.894 0.146 8.614
377 HG23 THR 9 HG23 THR 9 11.392 -0.779 8.712
378 H ARG 10 HN ARG 10 8.716 1.209 5.331
379 HA ARG 10 HA ARG 10 7.168 2.253 7.457
380 HB2 ARG 10 HB2 ARG 10 8.414 3.664 5.853
381 HB3 ARG 10 HB1 ARG 10 7.294 3.185 4.578
382 HG2 ARG 10 HG2 ARG 10 5.433 4.206 5.743
383 HG3 ARG 10 HG1 ARG 10 6.437 4.527 7.157
384 HD2 ARG 10 HD2 ARG 10 6.228 6.577 5.859
385 HD3 ARG 10 HD1 ARG 10 7.885 5.993 5.760
386 HE ARG 10 HE ARG 10 7.551 5.523 3.486
387 HH11 ARG 10 HH11 ARG 10 6.376 5.753 1.564
388 HH12 ARG 10 HH12 ARG 10 4.707 6.214 1.622
389 HH21 ARG 10 HH21 ARG 10 4.613 6.426 5.079
390 HH22 ARG 10 HH22 ARG 10 3.711 6.594 3.610
391 H CYS 11 HN CYS 11 6.328 0.759 4.373
392 HA CYS 11 HA CYS 11 3.584 1.191 4.313
393 HB2 CYS 11 HB2 CYS 11 5.083 0.049 2.574
394 HB3 CYS 11 HB1 CYS 11 4.861 -1.420 3.520
395 H LYS 12 HN LYS 12 5.397 -1.429 5.903
396 HA LYS 12 HA LYS 12 3.152 -2.821 6.842
397 HB2 LYS 12 HB2 LYS 12 5.447 -3.764 6.804
398 HB3 LYS 12 HB1 LYS 12 5.906 -2.653 8.089
399 HG2 LYS 12 HG2 LYS 12 5.433 -4.793 9.104
400 HG3 LYS 12 HG1 LYS 12 4.121 -3.701 9.540
401 HD2 LYS 12 HD2 LYS 12 2.666 -4.689 7.871
402 HD3 LYS 12 HD1 LYS 12 3.995 -5.635 7.205
403 HE2 LYS 12 HE2 LYS 12 4.166 -6.863 9.343
404 HE3 LYS 12 HE1 LYS 12 2.830 -5.907 9.992
405 HZ1 LYS 12 HZ1 LYS 12 1.404 -7.267 9.016
406 HZ2 LYS 12 HZ2 LYS 12 2.689 -8.219 8.441
407 HZ3 LYS 12 HZ3 LYS 12 2.083 -6.943 7.497
408 H LYS 13 HN LYS 13 5.102 -0.256 8.277
409 HA LYS 13 HA LYS 13 3.832 -0.178 10.791
410 HB2 LYS 13 HB2 LYS 13 5.260 1.962 9.205
411 HB3 LYS 13 HB1 LYS 13 4.715 2.187 10.864
412 HG2 LYS 13 HG2 LYS 13 6.581 -0.047 10.004
413 HG3 LYS 13 HG1 LYS 13 7.143 1.501 10.628
414 HD2 LYS 13 HD2 LYS 13 5.633 1.013 12.675
415 HD3 LYS 13 HD1 LYS 13 5.578 -0.643 12.076
416 HE2 LYS 13 HE2 LYS 13 8.143 0.863 12.639
417 HE3 LYS 13 HE1 LYS 13 7.396 -0.285 13.750
418 HZ1 LYS 13 HZ1 LYS 13 7.449 -1.834 11.694
419 HZ2 LYS 13 HZ2 LYS 13 8.862 -1.608 12.610
420 HZ3 LYS 13 HZ3 LYS 13 8.657 -0.780 11.141
421 H LEU 14 HN LEU 14 3.085 1.404 7.736
422 HA LEU 14 HA LEU 14 1.052 3.118 8.675
423 HB2 LEU 14 HB2 LEU 14 1.554 1.805 6.000
424 HB3 LEU 14 HB1 LEU 14 0.260 2.968 6.255
425 HG LEU 14 HG LEU 14 3.163 3.568 6.915
426 HD11 LEU 14 HD11 LEU 14 1.747 3.582 4.289
427 HD12 LEU 14 HD12 LEU 14 3.468 3.463 4.649
428 HD13 LEU 14 HD13 LEU 14 2.680 5.033 4.656
429 HD21 LEU 14 HD21 LEU 14 1.832 5.166 8.013
430 HD22 LEU 14 HD22 LEU 14 0.605 5.167 6.744
431 HD23 LEU 14 HD23 LEU 14 2.157 5.958 6.474
432 H LEU 15 HN LEU 15 0.953 -0.231 7.490
433 HA LEU 15 HA LEU 15 -1.866 -0.506 7.572
434 HB2 LEU 15 HB2 LEU 15 0.363 -2.541 7.766
435 HB3 LEU 15 HB1 LEU 15 -1.340 -2.966 7.611
436 HG LEU 15 HG LEU 15 0.154 -1.201 5.647
437 HD11 LEU 15 HD11 LEU 15 0.239 -3.145 4.183
438 HD12 LEU 15 HD12 LEU 15 -0.603 -4.122 5.386
439 HD13 LEU 15 HD13 LEU 15 1.027 -3.531 5.713
440 HD21 LEU 15 HD21 LEU 15 -2.653 -2.284 5.813
441 HD22 LEU 15 HD22 LEU 15 -1.915 -2.080 4.224
442 HD23 LEU 15 HD23 LEU 15 -2.093 -0.693 5.289
443 H ASP 16 HN ASP 16 0.669 -1.144 9.959
444 HA ASP 16 HA ASP 16 -0.981 -2.297 11.952
445 HB2 ASP 16 HB2 ASP 16 1.670 -0.855 12.083
446 HB3 ASP 16 HB1 ASP 16 0.894 -1.558 13.503
447 H ASP 17 HN ASP 17 -0.126 1.019 11.179
448 HA ASP 17 HA ASP 17 -1.186 2.255 13.488
449 HB2 ASP 17 HB2 ASP 17 -0.703 3.269 10.686
450 HB3 ASP 17 HB1 ASP 17 -1.289 4.299 11.990
451 H SER 18 HN SER 18 -2.738 0.595 11.009
452 HA SER 18 HA SER 18 -5.044 2.092 10.554
453 HB2 SER 18 HB2 SER 18 -6.069 0.004 9.847
454 HB3 SER 18 HB1 SER 18 -4.394 0.028 9.304
455 HG SER 18 HG SER 18 -3.844 -1.329 10.950
456 H SER 19 HN SER 19 -4.034 0.341 13.307
457 HA SER 19 HA SER 19 -6.685 0.151 14.482
458 HB2 SER 19 HB2 SER 19 -3.952 -0.451 15.619
459 HB3 SER 19 HB1 SER 19 -5.469 -0.727 16.469
460 HG SER 19 HG SER 19 -6.038 -2.222 14.944
461 H SER 20 HN SER 20 -4.288 2.471 14.225
462 HA SER 20 HA SER 20 -4.780 3.823 16.735
463 HB2 SER 20 HB2 SER 20 -2.578 3.942 15.585
464 HB3 SER 20 HB1 SER 20 -3.340 4.830 14.269
465 HG SER 20 HG SER 20 -2.346 5.839 16.434
466 H2 ZBR 100 HA3 TBS 100 -1.552 0.504 -1.832
467 H4 ZBR 100 HC3 TBS 100 0.615 1.080 1.865
468 H6 ZBR 100 HB3 TBS 100 2.667 -0.428 -1.633
469 H7 ZBR 100 HB11 TBS 100 1.113 0.259 -3.925
470 H7A ZBR 100 HB12 TBS 100 -0.494 -0.443 -3.698
471 H8 ZBR 100 HA11 TBS 100 -2.184 2.259 0.281
472 H8A ZBR 100 HA12 TBS 100 -1.686 1.513 1.804
473 H9 ZBR 100 HC11 TBS 100 3.373 1.239 1.276
474 H9A ZBR 100 HC12 TBS 100 3.845 -0.209 0.378
Start of MODEL 20
1 H1 LYS 1 HN LYS 1 -6.249 4.665 17.078
2 HA LYS 1 HA LYS 1 -8.417 5.206 15.258
3 HB2 LYS 1 HB2 LYS 1 -7.707 6.322 17.976
4 HB3 LYS 1 HB1 LYS 1 -9.158 6.773 17.079
5 HG2 LYS 1 HG2 LYS 1 -9.876 4.421 17.031
6 HG3 LYS 1 HG1 LYS 1 -8.420 3.952 17.908
7 HD2 LYS 1 HD2 LYS 1 -9.100 5.371 19.808
8 HD3 LYS 1 HD1 LYS 1 -10.560 5.839 18.935
9 HE2 LYS 1 HE2 LYS 1 -11.293 3.491 18.876
10 HE3 LYS 1 HE1 LYS 1 -9.827 3.005 19.730
11 HZ1 LYS 1 HZ1 LYS 1 -12.030 4.713 20.735
12 HZ2 LYS 1 HZ2 LYS 1 -10.531 4.580 21.524
13 HZ3 LYS 1 HZ3 LYS 1 -11.522 3.212 21.338
14 H ASN 2 HN ASN 2 -5.428 6.124 14.987
15 HA ASN 2 HA ASN 2 -5.406 8.928 14.967
16 HB2 ASN 2 HB2 ASN 2 -3.434 8.653 13.430
17 HB3 ASN 2 HB1 ASN 2 -3.340 7.678 14.891
18 HD21 ASN 2 HD21 ASN 2 -1.891 6.995 12.526
19 HD22 ASN 2 HD22 ASN 2 -2.531 5.548 11.912
20 HA PRO 3 HA PRO 3 -7.791 10.027 11.401
21 HB2 PRO 3 HB2 PRO 3 -6.343 12.177 10.423
22 HB3 PRO 3 HB1 PRO 3 -7.412 12.261 11.837
23 HG2 PRO 3 HG2 PRO 3 -4.442 11.922 11.737
24 HG3 PRO 3 HG1 PRO 3 -5.424 12.954 12.797
25 HD2 PRO 3 HD2 PRO 3 -4.440 10.626 13.681
26 HD3 PRO 3 HD1 PRO 3 -6.049 11.175 14.181
27 H GLU 4 HN GLU 4 -4.459 9.166 11.116
28 HA GLU 4 HA GLU 4 -4.177 9.234 8.297
29 HB2 GLU 4 HB2 GLU 4 -2.785 7.567 10.399
30 HB3 GLU 4 HB1 GLU 4 -2.310 7.615 8.701
31 HG2 GLU 4 HG2 GLU 4 -1.944 10.032 8.844
32 HG3 GLU 4 HG1 GLU 4 -2.476 10.029 10.525
33 H ALA 5 HN ALA 5 -6.031 7.251 10.325
34 HA ALA 5 HA ALA 5 -5.962 4.761 9.043
35 HB1 ALA 5 HB1 ALA 5 -7.988 4.276 10.175
36 HB2 ALA 5 HB2 ALA 5 -8.458 5.975 10.226
37 HB3 ALA 5 HB3 ALA 5 -7.129 5.397 11.232
38 H GLU 6 HN GLU 6 -7.491 7.765 8.128
39 HA GLU 6 HA GLU 6 -9.389 6.787 6.297
40 HB2 GLU 6 HB2 GLU 6 -7.841 9.379 6.444
41 HB3 GLU 6 HB1 GLU 6 -9.081 9.080 5.227
42 HG2 GLU 6 HG2 GLU 6 -10.204 10.194 7.004
43 HG3 GLU 6 HG1 GLU 6 -10.642 8.500 7.177
44 H GLU 7 HN GLU 7 -5.939 7.483 5.977
45 HA GLU 7 HA GLU 7 -5.774 7.211 3.173
46 HB2 GLU 7 HB2 GLU 7 -3.960 8.207 4.503
47 HB3 GLU 7 HB1 GLU 7 -3.659 6.648 5.270
48 HG2 GLU 7 HG2 GLU 7 -2.070 7.034 3.430
49 HG3 GLU 7 HG1 GLU 7 -3.111 5.667 3.059
50 H ILE 8 HN ILE 8 -5.583 4.869 5.803
51 HA ILE 8 HA ILE 8 -4.767 2.631 4.282
52 HB ILE 8 HB ILE 8 -6.259 2.964 6.886
53 HG12 ILE 8 HG12 ILE 8 -4.216 2.106 7.840
54 HG13 ILE 8 HG11 ILE 8 -3.595 1.656 6.254
55 HG21 ILE 8 HG21 ILE 8 -7.224 0.943 6.118
56 HG22 ILE 8 HG22 ILE 8 -5.856 0.414 7.098
57 HG23 ILE 8 HG23 ILE 8 -5.733 0.425 5.339
58 HD11 ILE 8 HD11 ILE 8 -3.307 3.940 5.620
59 HD12 ILE 8 HD12 ILE 8 -2.672 3.819 7.262
60 HD13 ILE 8 HD13 ILE 8 -4.268 4.511 6.981
61 H THR 9 HN THR 9 -7.979 3.938 5.053
62 HA THR 9 HA THR 9 -9.500 1.872 3.895
63 HB THR 9 HB THR 9 -10.119 4.827 4.128
64 HG1 THR 9 HG1 THR 9 -10.359 4.332 6.134
65 HG21 THR 9 HG21 THR 9 -11.651 3.944 2.547
66 HG22 THR 9 HG22 THR 9 -12.512 3.897 4.086
67 HG23 THR 9 HG23 THR 9 -11.803 2.422 3.426
68 H ARG 10 HN ARG 10 -8.144 4.853 2.519
69 HA ARG 10 HA ARG 10 -9.240 4.555 -0.074
70 HB2 ARG 10 HB2 ARG 10 -8.248 6.665 0.757
71 HB3 ARG 10 HB1 ARG 10 -6.654 5.910 0.738
72 HG2 ARG 10 HG2 ARG 10 -6.793 5.566 -1.668
73 HG3 ARG 10 HG1 ARG 10 -8.448 6.174 -1.691
74 HD2 ARG 10 HD2 ARG 10 -6.962 7.954 -2.411
75 HD3 ARG 10 HD1 ARG 10 -7.606 8.362 -0.824
76 HE ARG 10 HE ARG 10 -5.135 6.990 -0.527
77 HH11 ARG 10 HH11 ARG 10 -3.291 8.226 -0.027
78 HH12 ARG 10 HH12 ARG 10 -3.295 9.932 -0.307
79 HH21 ARG 10 HH21 ARG 10 -6.516 9.986 -1.580
80 HH22 ARG 10 HH22 ARG 10 -5.115 10.927 -1.190
81 H CYS 11 HN CYS 11 -6.205 3.462 1.384
82 HA CYS 11 HA CYS 11 -4.982 2.413 -0.909
83 HB2 CYS 11 HB2 CYS 11 -3.977 2.722 1.407
84 HB3 CYS 11 HB1 CYS 11 -4.775 1.214 1.849
85 H LYS 12 HN LYS 12 -7.290 0.991 1.352
86 HA LYS 12 HA LYS 12 -7.262 -1.641 0.351
87 HB2 LYS 12 HB2 LYS 12 -8.306 -1.006 2.498
88 HB3 LYS 12 HB1 LYS 12 -9.557 -0.127 1.621
89 HG2 LYS 12 HG2 LYS 12 -10.278 -2.204 0.522
90 HG3 LYS 12 HG1 LYS 12 -8.995 -3.095 1.342
91 HD2 LYS 12 HD2 LYS 12 -9.985 -2.553 3.520
92 HD3 LYS 12 HD1 LYS 12 -11.245 -1.605 2.728
93 HE2 LYS 12 HE2 LYS 12 -12.097 -3.841 3.271
94 HE3 LYS 12 HE1 LYS 12 -11.995 -3.640 1.522
95 HZ1 LYS 12 HZ1 LYS 12 -10.904 -5.674 2.939
96 HZ2 LYS 12 HZ2 LYS 12 -9.575 -4.646 2.691
97 HZ3 LYS 12 HZ3 LYS 12 -10.463 -5.228 1.364
98 H LYS 13 HN LYS 13 -9.178 1.203 -0.534
99 HA LYS 13 HA LYS 13 -10.896 -0.049 -2.377
100 HB2 LYS 13 HB2 LYS 13 -11.211 2.262 -1.508
101 HB3 LYS 13 HB1 LYS 13 -9.833 2.787 -2.475
102 HG2 LYS 13 HG2 LYS 13 -10.988 2.070 -4.532
103 HG3 LYS 13 HG1 LYS 13 -12.359 1.516 -3.570
104 HD2 LYS 13 HD2 LYS 13 -12.719 3.812 -2.749
105 HD3 LYS 13 HD1 LYS 13 -11.341 4.370 -3.699
106 HE2 LYS 13 HE2 LYS 13 -13.397 4.833 -4.927
107 HE3 LYS 13 HE1 LYS 13 -12.490 3.574 -5.766
108 HZ1 LYS 13 HZ1 LYS 13 -14.983 3.369 -4.243
109 HZ2 LYS 13 HZ2 LYS 13 -13.933 2.035 -4.243
110 HZ3 LYS 13 HZ3 LYS 13 -14.549 2.634 -5.707
111 H LEU 14 HN LEU 14 -7.685 1.408 -2.772
112 HA LEU 14 HA LEU 14 -7.529 1.178 -5.578
113 HB2 LEU 14 HB2 LEU 14 -5.408 1.215 -3.425
114 HB3 LEU 14 HB1 LEU 14 -5.020 1.223 -5.142
115 HG LEU 14 HG LEU 14 -6.842 3.271 -3.835
116 HD11 LEU 14 HD11 LEU 14 -4.993 4.775 -3.702
117 HD12 LEU 14 HD12 LEU 14 -3.951 3.694 -4.624
118 HD13 LEU 14 HD13 LEU 14 -4.425 3.270 -2.984
119 HD21 LEU 14 HD21 LEU 14 -5.650 2.892 -6.578
120 HD22 LEU 14 HD22 LEU 14 -5.949 4.526 -5.994
121 HD23 LEU 14 HD23 LEU 14 -7.279 3.385 -6.130
122 H LEU 15 HN LEU 15 -6.590 -1.060 -2.987
123 HA LEU 15 HA LEU 15 -5.431 -3.014 -4.682
124 HB2 LEU 15 HB2 LEU 15 -6.686 -3.201 -1.937
125 HB3 LEU 15 HB1 LEU 15 -5.814 -4.526 -2.706
126 HG LEU 15 HG LEU 15 -4.633 -1.773 -2.229
127 HD11 LEU 15 HD11 LEU 15 -3.341 -2.962 -0.409
128 HD12 LEU 15 HD12 LEU 15 -4.457 -4.316 -0.596
129 HD13 LEU 15 HD13 LEU 15 -5.058 -2.741 -0.075
130 HD21 LEU 15 HD21 LEU 15 -3.300 -2.712 -3.897
131 HD22 LEU 15 HD22 LEU 15 -3.588 -4.365 -3.354
132 HD23 LEU 15 HD23 LEU 15 -2.486 -3.319 -2.461
133 H ASP 16 HN ASP 16 -8.709 -2.580 -3.414
134 HA ASP 16 HA ASP 16 -9.801 -4.975 -4.465
135 HB2 ASP 16 HB2 ASP 16 -11.052 -2.354 -3.641
136 HB3 ASP 16 HB1 ASP 16 -12.001 -3.731 -4.200
137 H ASP 17 HN ASP 17 -9.434 -1.734 -5.763
138 HA ASP 17 HA ASP 17 -11.011 -2.074 -8.087
139 HB2 ASP 17 HB2 ASP 17 -8.735 -0.199 -7.433
140 HB3 ASP 17 HB1 ASP 17 -9.623 -0.133 -8.953
141 H SER 18 HN SER 18 -8.102 -3.503 -7.191
142 HA SER 18 HA SER 18 -6.648 -3.574 -9.566
143 HB2 SER 18 HB2 SER 18 -5.583 -5.575 -8.652
144 HB3 SER 18 HB1 SER 18 -5.792 -4.372 -7.383
145 HG SER 18 HG SER 18 -7.520 -6.560 -7.937
146 H SER 19 HN SER 19 -9.550 -5.160 -8.674
147 HA SER 19 HA SER 19 -9.388 -7.179 -10.748
148 HB2 SER 19 HB2 SER 19 -11.571 -7.888 -9.994
149 HB3 SER 19 HB1 SER 19 -10.557 -7.597 -8.584
150 HG SER 19 HG SER 19 -11.517 -5.456 -8.546
151 H SER 20 HN SER 20 -10.258 -3.953 -10.564
152 HA SER 20 HA SER 20 -12.268 -3.975 -12.646
153 HB2 SER 20 HB2 SER 20 -12.320 -2.267 -10.869
154 HB3 SER 20 HB1 SER 20 -10.768 -1.648 -11.420
155 HG SER 20 HG SER 20 -13.060 -1.886 -13.074
156 H1 LYS 1 HN LYS 1 -12.034 -3.303 -14.757
157 HA LYS 1 HA LYS 1 -9.429 -3.690 -15.929
158 HB2 LYS 1 HB2 LYS 1 -12.106 -2.931 -17.110
159 HB3 LYS 1 HB1 LYS 1 -10.647 -3.171 -18.070
160 HG2 LYS 1 HG2 LYS 1 -10.451 -5.471 -17.224
161 HG3 LYS 1 HG1 LYS 1 -11.896 -5.239 -16.239
162 HD2 LYS 1 HD2 LYS 1 -13.224 -4.825 -18.276
163 HD3 LYS 1 HD1 LYS 1 -11.781 -5.058 -19.264
164 HE2 LYS 1 HE2 LYS 1 -11.568 -7.363 -18.428
165 HE3 LYS 1 HE1 LYS 1 -12.995 -7.136 -17.417
166 HZ1 LYS 1 HZ1 LYS 1 -12.853 -7.123 -20.377
167 HZ2 LYS 1 HZ2 LYS 1 -14.215 -6.591 -19.511
168 HZ3 LYS 1 HZ3 LYS 1 -13.702 -8.206 -19.384
169 H ASN 2 HN ASN 2 -10.407 -1.255 -14.203
170 HA ASN 2 HA ASN 2 -10.204 1.041 -15.796
171 HB2 ASN 2 HB2 ASN 2 -9.681 2.199 -13.623
172 HB3 ASN 2 HB1 ASN 2 -11.110 1.173 -13.561
173 HD21 ASN 2 HD21 ASN 2 -9.646 1.874 -11.208
174 HD22 ASN 2 HD22 ASN 2 -8.927 0.465 -10.593
175 HA PRO 3 HA PRO 3 -5.895 1.339 -16.771
176 HB2 PRO 3 HB2 PRO 3 -5.487 4.075 -16.585
177 HB3 PRO 3 HB1 PRO 3 -6.292 3.281 -17.953
178 HG2 PRO 3 HG2 PRO 3 -7.507 4.644 -15.583
179 HG3 PRO 3 HG1 PRO 3 -7.965 4.736 -17.296
180 HD2 PRO 3 HD2 PRO 3 -9.345 3.203 -15.589
181 HD3 PRO 3 HD1 PRO 3 -9.063 2.671 -17.254
182 H GLU 4 HN GLU 4 -7.121 2.509 -13.762
183 HA GLU 4 HA GLU 4 -4.696 3.268 -12.509
184 HB2 GLU 4 HB2 GLU 4 -7.303 2.260 -11.364
185 HB3 GLU 4 HB1 GLU 4 -5.972 2.879 -10.388
186 HG2 GLU 4 HG2 GLU 4 -6.078 5.029 -11.552
187 HG3 GLU 4 HG1 GLU 4 -7.359 4.420 -12.598
188 H ALA 5 HN ALA 5 -5.868 0.245 -13.495
189 HA ALA 5 HA ALA 5 -4.918 -1.499 -11.520
190 HB1 ALA 5 HB1 ALA 5 -5.117 -3.216 -13.136
191 HB2 ALA 5 HB2 ALA 5 -4.816 -2.107 -14.474
192 HB3 ALA 5 HB3 ALA 5 -6.341 -2.031 -13.590
193 H GLU 6 HN GLU 6 -3.228 0.300 -13.992
194 HA GLU 6 HA GLU 6 -0.833 -1.173 -14.086
195 HB2 GLU 6 HB2 GLU 6 -1.449 1.755 -14.520
196 HB3 GLU 6 HB1 GLU 6 0.158 1.075 -14.770
197 HG2 GLU 6 HG2 GLU 6 -0.882 1.019 -16.907
198 HG3 GLU 6 HG1 GLU 6 -0.971 -0.634 -16.314
199 H GLU 7 HN GLU 7 -1.976 1.337 -11.875
200 HA GLU 7 HA GLU 7 0.460 1.754 -10.513
201 HB2 GLU 7 HB2 GLU 7 -1.443 3.293 -10.289
202 HB3 GLU 7 HB1 GLU 7 -2.374 2.034 -9.479
203 HG2 GLU 7 HG2 GLU 7 -1.374 3.569 -7.836
204 HG3 GLU 7 HG1 GLU 7 -0.688 1.959 -7.661
205 H ILE 8 HN ILE 8 -2.153 -0.570 -10.050
206 HA ILE 8 HA ILE 8 -1.287 -1.655 -7.587
207 HB ILE 8 HB ILE 8 -2.970 -2.706 -9.864
208 HG12 ILE 8 HG12 ILE 8 -4.763 -2.491 -8.259
209 HG13 ILE 8 HG11 ILE 8 -3.627 -2.192 -6.946
210 HG21 ILE 8 HG21 ILE 8 -2.002 -4.729 -9.103
211 HG22 ILE 8 HG22 ILE 8 -3.509 -4.610 -8.196
212 HG23 ILE 8 HG23 ILE 8 -1.980 -4.188 -7.427
213 HD11 ILE 8 HD11 ILE 8 -3.036 -0.051 -7.822
214 HD12 ILE 8 HD12 ILE 8 -4.795 -0.137 -7.926
215 HD13 ILE 8 HD13 ILE 8 -3.813 -0.392 -9.367
216 H THR 9 HN THR 9 -0.515 -2.484 -10.954
217 HA THR 9 HA THR 9 1.041 -4.766 -10.417
218 HB THR 9 HB THR 9 1.295 -2.739 -12.653
219 HG1 THR 9 HG1 THR 9 -0.462 -3.658 -13.282
220 HG21 THR 9 HG21 THR 9 3.317 -3.984 -12.634
221 HG22 THR 9 HG22 THR 9 2.298 -4.787 -13.829
222 HG23 THR 9 HG23 THR 9 2.483 -5.481 -12.219
223 H ARG 10 HN ARG 10 1.902 -1.327 -10.618
224 HA ARG 10 HA ARG 10 4.688 -1.655 -10.238
225 HB2 ARG 10 HB2 ARG 10 3.655 0.441 -11.054
226 HB3 ARG 10 HB1 ARG 10 2.944 0.696 -9.460
227 HG2 ARG 10 HG2 ARG 10 5.153 0.813 -8.442
228 HG3 ARG 10 HG1 ARG 10 5.916 0.415 -9.982
229 HD2 ARG 10 HD2 ARG 10 6.051 2.815 -9.652
230 HD3 ARG 10 HD1 ARG 10 4.919 2.486 -10.959
231 HE ARG 10 HE ARG 10 3.510 2.650 -8.497
232 HH11 ARG 10 HH11 ARG 10 2.353 4.560 -8.065
233 HH12 ARG 10 HH12 ARG 10 2.718 6.005 -8.940
234 HH21 ARG 10 HH21 ARG 10 5.242 4.553 -10.816
235 HH22 ARG 10 HH22 ARG 10 4.353 6.004 -10.493
236 H CYS 11 HN CYS 11 2.001 -1.187 -7.983
237 HA CYS 11 HA CYS 11 3.474 -0.928 -5.615
238 HB2 CYS 11 HB2 CYS 11 0.985 -0.569 -5.950
239 HB3 CYS 11 HB1 CYS 11 0.811 -2.319 -5.838
240 H LYS 12 HN LYS 12 2.330 -3.789 -7.337
241 HA LYS 12 HA LYS 12 3.036 -5.717 -5.408
242 HB2 LYS 12 HB2 LYS 12 1.591 -6.196 -7.353
243 HB3 LYS 12 HB1 LYS 12 2.980 -5.997 -8.422
244 HG2 LYS 12 HG2 LYS 12 4.131 -7.861 -7.312
245 HG3 LYS 12 HG1 LYS 12 2.783 -8.040 -6.189
246 HD2 LYS 12 HD2 LYS 12 1.279 -8.575 -8.053
247 HD3 LYS 12 HD1 LYS 12 2.599 -8.345 -9.202
248 HE2 LYS 12 HE2 LYS 12 2.314 -10.734 -8.724
249 HE3 LYS 12 HE1 LYS 12 3.859 -10.171 -8.088
250 HZ1 LYS 12 HZ1 LYS 12 1.965 -11.500 -6.677
251 HZ2 LYS 12 HZ2 LYS 12 1.694 -9.884 -6.226
252 HZ3 LYS 12 HZ3 LYS 12 3.227 -10.585 -6.008
253 H LYS 13 HN LYS 13 4.853 -4.273 -8.083
254 HA LYS 13 HA LYS 13 7.161 -5.870 -7.887
255 HB2 LYS 13 HB2 LYS 13 6.675 -4.332 -9.781
256 HB3 LYS 13 HB1 LYS 13 6.991 -2.961 -8.718
257 HG2 LYS 13 HG2 LYS 13 9.289 -3.766 -8.341
258 HG3 LYS 13 HG1 LYS 13 8.975 -5.157 -9.379
259 HD2 LYS 13 HD2 LYS 13 8.547 -3.649 -11.281
260 HD3 LYS 13 HD1 LYS 13 8.847 -2.253 -10.246
261 HE2 LYS 13 HE2 LYS 13 10.870 -2.749 -11.513
262 HE3 LYS 13 HE1 LYS 13 11.148 -3.123 -9.812
263 HZ1 LYS 13 HZ1 LYS 13 10.824 -4.941 -12.088
264 HZ2 LYS 13 HZ2 LYS 13 10.293 -5.461 -10.560
265 HZ3 LYS 13 HZ3 LYS 13 11.915 -5.018 -10.792
266 H LEU 14 HN LEU 14 6.240 -2.856 -6.260
267 HA LEU 14 HA LEU 14 8.683 -2.406 -4.923
268 HB2 LEU 14 HB2 LEU 14 5.834 -1.646 -4.258
269 HB3 LEU 14 HB1 LEU 14 7.211 -1.090 -3.314
270 HG LEU 14 HG LEU 14 6.968 -0.671 -6.313
271 HD11 LEU 14 HD11 LEU 14 6.154 1.536 -5.902
272 HD12 LEU 14 HD12 LEU 14 6.455 1.406 -4.171
273 HD13 LEU 14 HD13 LEU 14 5.158 0.476 -4.909
274 HD21 LEU 14 HD21 LEU 14 8.889 0.215 -4.165
275 HD22 LEU 14 HD22 LEU 14 8.609 1.267 -5.550
276 HD23 LEU 14 HD23 LEU 14 9.227 -0.360 -5.794
277 H LEU 15 HN LEU 15 5.785 -4.227 -3.972
278 HA LEU 15 HA LEU 15 6.673 -4.859 -1.355
279 HB2 LEU 15 HB2 LEU 15 4.728 -6.231 -3.220
280 HB3 LEU 15 HB1 LEU 15 4.954 -6.691 -1.535
281 HG LEU 15 HG LEU 15 4.209 -3.895 -2.442
282 HD11 LEU 15 HD11 LEU 15 1.930 -4.499 -1.573
283 HD12 LEU 15 HD12 LEU 15 2.474 -6.173 -1.452
284 HD13 LEU 15 HD13 LEU 15 2.396 -5.381 -3.027
285 HD21 LEU 15 HD21 LEU 15 5.071 -3.606 -0.296
286 HD22 LEU 15 HD22 LEU 15 4.603 -5.222 0.232
287 HD23 LEU 15 HD23 LEU 15 3.389 -3.954 0.087
288 H ASP 16 HN ASP 16 6.974 -6.538 -4.458
289 HA ASP 16 HA ASP 16 8.221 -8.880 -3.462
290 HB2 ASP 16 HB2 ASP 16 8.201 -7.582 -6.186
291 HB3 ASP 16 HB1 ASP 16 9.016 -9.112 -5.863
292 H ASP 17 HN ASP 17 9.461 -5.785 -4.563
293 HA ASP 17 HA ASP 17 12.206 -6.466 -4.600
294 HB2 ASP 17 HB2 ASP 17 10.773 -3.824 -4.300
295 HB3 ASP 17 HB1 ASP 17 12.529 -3.958 -4.389
296 H SER 18 HN SER 18 10.053 -6.217 -2.031
297 HA SER 18 HA SER 18 11.567 -5.014 -0.025
298 HB2 SER 18 HB2 SER 18 10.143 -6.235 1.543
299 HB3 SER 18 HB1 SER 18 9.178 -5.620 0.205
300 HG SER 18 HG SER 18 10.243 -8.244 0.475
301 H SER 19 HN SER 19 11.894 -8.064 -1.549
302 HA SER 19 HA SER 19 13.552 -9.218 0.530
303 HB2 SER 19 HB2 SER 19 13.765 -11.128 -0.931
304 HB3 SER 19 HB1 SER 19 12.080 -10.617 -0.926
305 HG SER 19 HG SER 19 12.612 -9.402 -2.856
306 H SER 20 HN SER 20 13.982 -7.092 -2.018
307 HA SER 20 HA SER 20 16.720 -7.786 -2.646
308 HB2 SER 20 HB2 SER 20 15.243 -6.753 -4.340
309 HB3 SER 20 HB1 SER 20 15.149 -5.296 -3.355
310 HG SER 20 HG SER 20 17.556 -6.458 -4.317
311 H1 LYS 1 HN LYS 1 18.565 -6.704 -2.027
312 HA LYS 1 HA LYS 1 18.467 -5.393 0.536
313 HB2 LYS 1 HB2 LYS 1 20.740 -5.982 -1.367
314 HB3 LYS 1 HB1 LYS 1 20.953 -5.219 0.210
315 HG2 LYS 1 HG2 LYS 1 19.928 -7.170 1.305
316 HG3 LYS 1 HG1 LYS 1 19.694 -7.936 -0.266
317 HD2 LYS 1 HD2 LYS 1 22.133 -7.917 -0.642
318 HD3 LYS 1 HD1 LYS 1 22.369 -7.153 0.930
319 HE2 LYS 1 HE2 LYS 1 21.346 -9.099 2.041
320 HE3 LYS 1 HE1 LYS 1 21.088 -9.865 0.472
321 HZ1 LYS 1 HZ1 LYS 1 23.675 -9.209 1.761
322 HZ2 LYS 1 HZ2 LYS 1 23.540 -9.670 0.131
323 HZ3 LYS 1 HZ3 LYS 1 23.076 -10.745 1.362
324 H ASN 2 HN ASN 2 17.514 -4.244 -2.226
325 HA ASN 2 HA ASN 2 19.028 -1.946 -2.754
326 HB2 ASN 2 HB2 ASN 2 16.930 -1.127 -3.877
327 HB3 ASN 2 HB1 ASN 2 17.411 -2.751 -4.357
328 HD21 ASN 2 HD21 ASN 2 14.719 -1.847 -4.618
329 HD22 ASN 2 HD22 ASN 2 13.754 -2.726 -3.532
330 HA PRO 3 HA PRO 3 18.075 0.801 0.587
331 HB2 PRO 3 HB2 PRO 3 17.943 3.233 -0.731
332 HB3 PRO 3 HB1 PRO 3 19.460 2.400 -0.340
333 HG2 PRO 3 HG2 PRO 3 17.936 2.428 -2.914
334 HG3 PRO 3 HG1 PRO 3 19.683 2.580 -2.636
335 HD2 PRO 3 HD2 PRO 3 18.619 0.257 -3.438
336 HD3 PRO 3 HD1 PRO 3 19.966 0.283 -2.288
337 H GLU 4 HN GLU 4 15.984 0.530 -2.147
338 HA GLU 4 HA GLU 4 13.873 2.228 -1.319
339 HB2 GLU 4 HB2 GLU 4 13.880 -0.229 -3.079
340 HB3 GLU 4 HB1 GLU 4 12.481 0.820 -2.854
341 HG2 GLU 4 HG2 GLU 4 13.752 2.739 -3.695
342 HG3 GLU 4 HG1 GLU 4 15.187 1.730 -3.872
343 H ALA 5 HN ALA 5 15.027 -0.701 -0.064
344 HA ALA 5 HA ALA 5 12.705 -1.982 0.837
345 HB1 ALA 5 HB1 ALA 5 14.110 -3.199 2.301
346 HB2 ALA 5 HB2 ALA 5 15.276 -1.881 2.411
347 HB3 ALA 5 HB3 ALA 5 15.132 -2.809 0.918
348 H GLU 6 HN GLU 6 14.349 0.865 2.012
349 HA GLU 6 HA GLU 6 13.301 0.971 4.620
350 HB2 GLU 6 HB2 GLU 6 14.175 3.120 2.681
351 HB3 GLU 6 HB1 GLU 6 13.663 3.480 4.329
352 HG2 GLU 6 HG2 GLU 6 16.029 3.272 4.442
353 HG3 GLU 6 HG1 GLU 6 15.409 1.759 5.085
354 H GLU 7 HN GLU 7 11.987 1.999 1.504
355 HA GLU 7 HA GLU 7 9.748 3.400 2.500
356 HB2 GLU 7 HB2 GLU 7 10.479 3.598 0.162
357 HB3 GLU 7 HB1 GLU 7 10.054 1.911 -0.120
358 HG2 GLU 7 HG2 GLU 7 8.261 3.402 -0.908
359 HG3 GLU 7 HG1 GLU 7 7.689 2.414 0.430
360 H ILE 8 HN ILE 8 10.276 -0.004 1.735
361 HA ILE 8 HA ILE 8 7.603 -0.889 2.013
362 HB ILE 8 HB ILE 8 10.295 -2.237 2.274
363 HG12 ILE 8 HG12 ILE 8 9.623 -3.329 0.224
364 HG13 ILE 8 HG11 ILE 8 7.983 -2.703 0.365
365 HG21 ILE 8 HG21 ILE 8 9.035 -3.516 3.823
366 HG22 ILE 8 HG22 ILE 8 8.883 -4.404 2.306
367 HG23 ILE 8 HG23 ILE 8 7.561 -3.378 2.868
368 HD11 ILE 8 HD11 ILE 8 8.694 -0.469 -0.075
369 HD12 ILE 8 HD12 ILE 8 9.534 -1.471 -1.258
370 HD13 ILE 8 HD13 ILE 8 10.389 -0.886 0.166
371 H THR 9 HN THR 9 10.245 -0.523 4.359
372 HA THR 9 HA THR 9 8.926 -1.660 6.572
373 HB THR 9 HB THR 9 10.982 0.563 6.483
374 HG1 THR 9 HG1 THR 9 12.234 -1.020 5.976
375 HG21 THR 9 HG21 THR 9 10.010 0.630 8.646
376 HG22 THR 9 HG22 THR 9 11.461 -0.358 8.830
377 HG23 THR 9 HG23 THR 9 9.876 -1.126 8.727
378 H ARG 10 HN ARG 10 8.996 1.667 5.328
379 HA ARG 10 HA ARG 10 7.438 2.829 7.385
380 HB2 ARG 10 HB2 ARG 10 8.771 4.147 5.772
381 HB3 ARG 10 HB1 ARG 10 7.662 3.671 4.485
382 HG2 ARG 10 HG2 ARG 10 5.807 4.767 5.614
383 HG3 ARG 10 HG1 ARG 10 6.829 5.140 7.001
384 HD2 ARG 10 HD2 ARG 10 6.658 7.123 5.611
385 HD3 ARG 10 HD1 ARG 10 8.296 6.491 5.498
386 HE ARG 10 HE ARG 10 6.709 5.402 3.408
387 HH11 ARG 10 HH11 ARG 10 6.971 6.267 1.320
388 HH12 ARG 10 HH12 ARG 10 7.710 7.817 1.116
389 HH21 ARG 10 HH21 ARG 10 8.186 8.335 4.508
390 HH22 ARG 10 HH22 ARG 10 8.394 8.989 2.917
391 H CYS 11 HN CYS 11 6.590 1.340 4.289
392 HA CYS 11 HA CYS 11 3.845 1.902 4.286
393 HB2 CYS 11 HB2 CYS 11 5.234 0.918 2.406
394 HB3 CYS 11 HB1 CYS 11 5.085 -0.633 3.229
395 H LYS 12 HN LYS 12 5.674 -0.738 5.750
396 HA LYS 12 HA LYS 12 3.493 -2.306 6.600
397 HB2 LYS 12 HB2 LYS 12 5.832 -3.105 6.591
398 HB3 LYS 12 HB1 LYS 12 6.210 -1.990 7.903
399 HG2 LYS 12 HG2 LYS 12 4.576 -3.111 9.356
400 HG3 LYS 12 HG1 LYS 12 4.138 -4.200 8.040
401 HD2 LYS 12 HD2 LYS 12 6.425 -5.090 7.991
402 HD3 LYS 12 HD1 LYS 12 6.902 -3.971 9.268
403 HE2 LYS 12 HE2 LYS 12 6.417 -6.180 10.224
404 HE3 LYS 12 HE1 LYS 12 5.226 -5.004 10.778
405 HZ1 LYS 12 HZ1 LYS 12 4.669 -7.380 9.594
406 HZ2 LYS 12 HZ2 LYS 12 4.492 -6.277 8.315
407 HZ3 LYS 12 HZ3 LYS 12 3.593 -6.078 9.743
408 H LYS 13 HN LYS 13 5.227 0.368 8.143
409 HA LYS 13 HA LYS 13 3.941 0.271 10.643
410 HB2 LYS 13 HB2 LYS 13 5.969 1.630 10.154
411 HB3 LYS 13 HB1 LYS 13 4.973 2.723 9.193
412 HG2 LYS 13 HG2 LYS 13 3.592 3.225 11.171
413 HG3 LYS 13 HG1 LYS 13 4.564 2.114 12.135
414 HD2 LYS 13 HD2 LYS 13 6.567 3.487 11.709
415 HD3 LYS 13 HD1 LYS 13 5.602 4.596 10.734
416 HE2 LYS 13 HE2 LYS 13 5.847 5.515 12.982
417 HE3 LYS 13 HE1 LYS 13 4.167 5.042 12.726
418 HZ1 LYS 13 HZ1 LYS 13 6.214 3.798 14.413
419 HZ2 LYS 13 HZ2 LYS 13 5.028 2.800 13.721
420 HZ3 LYS 13 HZ3 LYS 13 4.575 4.082 14.738
421 H LEU 14 HN LEU 14 3.095 1.934 7.625
422 HA LEU 14 HA LEU 14 0.880 3.372 8.614
423 HB2 LEU 14 HB2 LEU 14 1.553 2.327 5.858
424 HB3 LEU 14 HB1 LEU 14 0.156 3.350 6.172
425 HG LEU 14 HG LEU 14 2.994 4.129 6.925
426 HD11 LEU 14 HD11 LEU 14 3.126 5.424 4.921
427 HD12 LEU 14 HD12 LEU 14 1.429 5.145 4.541
428 HD13 LEU 14 HD13 LEU 14 2.586 3.826 4.415
429 HD21 LEU 14 HD21 LEU 14 0.304 5.488 6.975
430 HD22 LEU 14 HD22 LEU 14 1.751 6.459 6.720
431 HD23 LEU 14 HD23 LEU 14 1.583 5.504 8.185
432 H LEU 15 HN LEU 15 1.123 0.132 7.180
433 HA LEU 15 HA LEU 15 -1.663 -0.398 7.162
434 HB2 LEU 15 HB2 LEU 15 0.748 -2.222 7.260
435 HB3 LEU 15 HB1 LEU 15 -0.902 -2.794 7.022
436 HG LEU 15 HG LEU 15 0.445 -0.729 5.255
437 HD11 LEU 15 HD11 LEU 15 0.595 -2.623 3.607
438 HD12 LEU 15 HD12 LEU 15 0.141 -3.724 4.910
439 HD13 LEU 15 HD13 LEU 15 1.646 -2.808 5.011
440 HD21 LEU 15 HD21 LEU 15 -1.840 -0.442 4.878
441 HD22 LEU 15 HD22 LEU 15 -2.225 -2.126 5.233
442 HD23 LEU 15 HD23 LEU 15 -1.477 -1.695 3.698
443 H ASP 16 HN ASP 16 0.886 -1.027 9.540
444 HA ASP 16 HA ASP 16 -0.714 -2.462 11.386
445 HB2 ASP 16 HB2 ASP 16 1.845 -0.893 11.696
446 HB3 ASP 16 HB1 ASP 16 1.094 -1.768 13.030
447 H ASP 17 HN ASP 17 -0.029 0.956 10.958
448 HA ASP 17 HA ASP 17 -1.220 1.884 13.351
449 HB2 ASP 17 HB2 ASP 17 -0.683 3.222 10.696
450 HB3 ASP 17 HB1 ASP 17 -1.365 4.075 12.080
451 H SER 18 HN SER 18 -2.588 0.438 10.644
452 HA SER 18 HA SER 18 -4.957 1.858 10.269
453 HB2 SER 18 HB2 SER 18 -5.850 -0.216 9.331
454 HB3 SER 18 HB1 SER 18 -4.187 0.014 8.801
455 HG SER 18 HG SER 18 -5.077 -1.595 10.965
456 H SER 19 HN SER 19 -3.948 -0.171 12.837
457 HA SER 19 HA SER 19 -6.615 -0.622 13.877
458 HB2 SER 19 HB2 SER 19 -5.533 -1.800 15.682
459 HB3 SER 19 HB1 SER 19 -4.766 -2.280 14.171
460 HG SER 19 HG SER 19 -3.159 -0.666 14.630
461 H SER 20 HN SER 20 -4.342 1.838 13.991
462 HA SER 20 HA SER 20 -5.018 2.863 16.611
463 HB2 SER 20 HB2 SER 20 -2.775 3.236 15.667
464 HB3 SER 20 HB1 SER 20 -3.484 4.166 14.351
465 HG SER 20 HG SER 20 -3.754 4.748 17.119
466 H2 ZBR 100 HA3 TBS 100 -1.362 1.175 -2.044
467 H4 ZBR 100 HC3 TBS 100 0.802 1.754 1.665
468 H6 ZBR 100 HB3 TBS 100 2.864 0.248 -1.833
469 H7 ZBR 100 HB11 TBS 100 1.292 0.963 -4.130
470 H7A ZBR 100 HB12 TBS 100 -0.301 0.232 -3.902
471 H8 ZBR 100 HA11 TBS 100 -1.961 2.961 0.120
472 H8A ZBR 100 HA12 TBS 100 -1.509 2.127 1.611
473 H9 ZBR 100 HC11 TBS 100 3.614 1.922 0.978
474 H9A ZBR 100 HC12 TBS 100 4.003 0.378 0.210