NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
589338 |
2mxq   |
25424 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 2.454 1.006 -1.407
3 HB2 SER 1 2HB SER 1 3.921 -0.630 -0.313
4 HB3 SER 1 3HB SER 1 2.935 -1.949 -0.945
5 HG SER 1 HG SER 1 4.514 -1.782 -2.410
6 H CYS 2 H CYS 2 -0.428 0.140 -1.421
7 HA CYS 2 HA CYS 2 -0.495 -0.673 -4.240
8 HB2 CYS 2 2HB CYS 2 -2.430 -1.778 -2.205
9 HB3 CYS 2 3HB CYS 2 -2.224 -2.276 -3.881
10 H THR 3 H THR 3 -1.016 1.765 -2.365
11 HA THR 3 HA THR 3 -3.155 2.837 -3.955
12 HB THR 3 HB THR 3 -3.641 2.722 -0.979
13 HG1 THR 3 HG1 THR 3 -5.335 1.182 -1.678
14 HG21 THR 3 3HG2 THR 3 -5.490 3.951 -1.362
15 HG22 THR 3 1HG2 THR 3 -5.858 3.108 -2.866
16 HG23 THR 3 2HG2 THR 3 -4.669 4.411 -2.854
17 H CYS 4 H CYS 4 -1.398 4.258 -4.467
18 HA CYS 4 HA CYS 4 0.030 5.790 -2.619
19 HB2 CYS 4 2HB CYS 4 -0.010 5.541 -5.365
20 HB3 CYS 4 3HB CYS 4 -0.573 7.191 -5.118
21 H ARG 5 H ARG 5 -1.144 6.738 -1.017
22 HA ARG 5 HA ARG 5 -2.899 8.941 -1.840
23 HB2 ARG 5 2HB ARG 5 -4.592 8.386 -0.294
24 HB3 ARG 5 3HB ARG 5 -4.203 6.878 -1.111
25 HG2 ARG 5 2HG ARG 5 -2.567 6.577 0.924
26 HG3 ARG 5 3HG ARG 5 -3.682 7.707 1.694
27 HD2 ARG 5 2HD ARG 5 -4.267 4.988 0.554
28 HD3 ARG 5 3HD ARG 5 -4.484 5.549 2.212
29 HE ARG 5 HE ARG 5 -6.339 5.802 0.074
30 HH11 ARG 5 1HH1 ARG 5 -5.158 7.404 2.930
31 HH12 ARG 5 2HH1 ARG 5 -6.634 8.264 3.216
32 HH21 ARG 5 1HH2 ARG 5 -8.288 6.929 0.440
33 HH22 ARG 5 2HH2 ARG 5 -8.414 7.993 1.800
34 H ARG 6 H ARG 6 -3.108 10.635 -0.260
35 HA ARG 6 HA ARG 6 -0.895 10.673 1.686
36 HB2 ARG 6 2HB ARG 6 -1.751 13.316 0.906
37 HB3 ARG 6 3HB ARG 6 -0.148 12.596 0.829
38 HG2 ARG 6 2HG ARG 6 -0.894 11.480 -1.313
39 HG3 ARG 6 3HG ARG 6 -2.308 12.534 -1.254
40 HD2 ARG 6 2HD ARG 6 -0.480 14.404 -0.938
41 HD3 ARG 6 3HD ARG 6 0.555 13.210 -1.721
42 HE ARG 6 HE ARG 6 -0.474 13.705 -3.692
43 HH11 ARG 6 1HH1 ARG 6 -2.558 14.684 -1.081
44 HH12 ARG 6 2HH1 ARG 6 -3.734 15.417 -2.121
45 HH21 ARG 6 1HH2 ARG 6 -2.015 14.667 -5.072
46 HH22 ARG 6 2HH2 ARG 6 -3.424 15.407 -4.391
47 H ALA 7 H ALA 7 -1.956 10.198 3.545
48 HA ALA 7 HA ALA 7 -3.492 12.218 4.794
49 HB1 ALA 7 1HB ALA 7 -5.293 9.958 4.764
50 HB2 ALA 7 2HB ALA 7 -5.609 11.657 4.408
51 HB3 ALA 7 3HB ALA 7 -5.014 10.586 3.140
52 H TRP 8 H TRP 8 -3.937 11.762 7.001
53 HA TRP 8 HA TRP 8 -2.025 10.173 8.283
54 HB2 TRP 8 2HB TRP 8 -4.448 11.673 9.134
55 HB3 TRP 8 3HB TRP 8 -3.812 10.471 10.253
56 HD1 TRP 8 HD1 TRP 8 -1.789 11.174 11.701
57 HE1 TRP 8 HE1 TRP 8 -0.278 13.254 11.819
58 HE3 TRP 8 HE3 TRP 8 -3.381 13.574 7.477
59 HZ2 TRP 8 HZ2 TRP 8 0.179 15.601 10.319
60 HZ3 TRP 8 HZ3 TRP 8 -2.356 15.732 6.890
61 HH2 TRP 8 HH2 TRP 8 -0.613 16.724 8.283
62 H ILE 9 H ILE 9 -5.075 9.358 6.944
63 HA ILE 9 HA ILE 9 -4.919 6.698 8.207
64 HB ILE 9 HB ILE 9 -7.355 6.506 7.942
65 HG12 ILE 9 2HG1 ILE 9 -8.443 8.926 7.634
66 HG13 ILE 9 3HG1 ILE 9 -6.985 9.179 6.681
67 HG21 ILE 9 1HG2 ILE 9 -6.379 8.875 9.525
68 HG22 ILE 9 2HG2 ILE 9 -7.983 8.165 9.700
69 HG23 ILE 9 3HG2 ILE 9 -6.550 7.210 10.079
70 HD11 ILE 9 3HD1 ILE 9 -9.184 8.310 5.575
71 HD12 ILE 9 1HD1 ILE 9 -7.614 7.683 5.073
72 HD13 ILE 9 2HD1 ILE 9 -8.625 6.750 6.179
73 H CYS 10 H CYS 10 -6.358 5.108 6.804
74 HA CYS 10 HA CYS 10 -5.700 5.522 3.965
75 HB2 CYS 10 2HB CYS 10 -5.456 2.863 5.377
76 HB3 CYS 10 3HB CYS 10 -4.932 3.266 3.745
77 H ARG 11 H ARG 11 -6.746 3.257 2.893
78 HA ARG 11 HA ARG 11 -9.469 3.817 2.710
79 HB2 ARG 11 2HB ARG 11 -7.993 1.261 2.060
80 HB3 ARG 11 3HB ARG 11 -9.645 1.609 1.570
81 HG2 ARG 11 2HG ARG 11 -7.457 3.498 0.834
82 HG3 ARG 11 3HG ARG 11 -7.683 2.007 -0.083
83 HD2 ARG 11 2HD ARG 11 -9.786 2.639 -0.835
84 HD3 ARG 11 3HD ARG 11 -10.005 3.811 0.464
85 HE ARG 11 HE ARG 11 -7.863 4.694 -1.052
86 HH11 ARG 11 1HH1 ARG 11 -11.261 4.083 -1.504
87 HH12 ARG 11 2HH1 ARG 11 -11.449 5.293 -2.730
88 HH21 ARG 11 1HH2 ARG 11 -8.098 6.290 -2.665
89 HH22 ARG 11 2HH2 ARG 11 -9.649 6.547 -3.390
90 H TRP 12 H TRP 12 -8.260 0.699 3.917
91 HA TRP 12 HA TRP 12 -9.648 0.867 6.397
92 HB2 TRP 12 2HB TRP 12 -11.059 -0.240 4.075
93 HB3 TRP 12 3HB TRP 12 -11.026 -1.320 5.465
94 HD1 TRP 12 HD1 TRP 12 -11.695 0.213 7.890
95 HE1 TRP 12 HE1 TRP 12 -13.801 1.668 8.163
96 HE3 TRP 12 HE3 TRP 12 -12.787 0.996 2.957
97 HZ2 TRP 12 HZ2 TRP 12 -15.677 2.974 6.507
98 HZ3 TRP 12 HZ3 TRP 12 -14.754 2.359 2.387
99 HH2 TRP 12 HH2 TRP 12 -16.169 3.326 4.126
100 H GLY 13 H GLY 13 -8.294 -0.187 7.685
101 HA2 GLY 13 2HA GLY 13 -6.762 -1.722 8.444
102 HA3 GLY 13 3HA GLY 13 -7.750 -2.895 7.586
103 H GLU 14 H GLU 14 -6.148 -0.301 5.900
104 HA GLU 14 HA GLU 14 -4.866 -2.050 4.102
105 HB2 GLU 14 2HB GLU 14 -4.369 0.872 4.689
106 HB3 GLU 14 3HB GLU 14 -3.649 -0.001 3.345
107 HG2 GLU 14 2HG GLU 14 -6.274 -0.558 2.977
108 HG3 GLU 14 3HG GLU 14 -6.360 1.058 3.673
109 H ARG 15 H ARG 15 -2.524 -2.184 3.712
110 HA ARG 15 HA ARG 15 -1.006 -2.178 6.238
111 HB2 ARG 15 2HB ARG 15 0.251 -4.114 5.346
112 HB3 ARG 15 3HB ARG 15 -1.462 -4.456 5.551
113 HG2 ARG 15 2HG ARG 15 -1.573 -3.742 3.024
114 HG3 ARG 15 3HG ARG 15 0.135 -4.185 3.061
115 HD2 ARG 15 2HD ARG 15 -1.294 -6.215 4.414
116 HD3 ARG 15 3HD ARG 15 -2.158 -5.878 2.915
117 HE ARG 15 HE ARG 15 -0.424 -6.810 1.749
118 HH11 ARG 15 1HH1 ARG 15 0.624 -6.127 4.998
119 HH12 ARG 15 2HH1 ARG 15 2.141 -6.945 4.819
120 HH21 ARG 15 1HH2 ARG 15 1.570 -7.890 1.502
121 HH22 ARG 15 2HH2 ARG 15 2.679 -7.947 2.830
122 H HIS 16 H HIS 16 0.798 -1.005 6.269
123 HA HIS 16 HA HIS 16 1.584 0.513 3.983
124 HB2 HIS 16 2HB HIS 16 1.824 1.551 6.118
125 HB3 HIS 16 3HB HIS 16 2.767 0.201 6.742
126 HD1 HIS 16 HD1 HIS 16 5.258 0.313 6.453
127 HD2 HIS 16 HD2 HIS 16 3.259 3.183 4.211
128 HE1 HIS 16 HE1 HIS 16 7.052 1.814 5.530
129 H SER 17 H SER 17 3.389 0.334 2.703
130 HA SER 17 HA SER 17 5.389 -1.680 3.194
131 HB2 SER 17 2HB SER 17 3.108 -2.269 1.501
132 HB3 SER 17 3HB SER 17 4.617 -2.363 0.594
133 HG SER 17 HG SER 17 5.192 -4.063 1.713
134 H GLY 18 H GLY 18 5.044 1.252 2.641
135 HA2 GLY 18 2HA GLY 18 6.885 2.561 1.793
136 HA3 GLY 18 3HA GLY 18 7.051 1.396 0.488
137 H LYS 19 H LYS 19 6.979 4.049 -0.108
138 HA LYS 19 HA LYS 19 4.244 4.614 -0.999
139 HB2 LYS 19 2HB LYS 19 4.910 6.873 -1.289
140 HB3 LYS 19 3HB LYS 19 5.608 6.352 0.239
141 HG2 LYS 19 2HG LYS 19 7.540 5.786 -1.703
142 HG3 LYS 19 3HG LYS 19 6.906 7.384 -2.101
143 HD2 LYS 19 2HD LYS 19 7.176 7.659 0.555
144 HD3 LYS 19 3HD LYS 19 8.456 6.481 0.252
145 HE2 LYS 19 2HE LYS 19 8.188 8.981 -1.390
146 HE3 LYS 19 3HE LYS 19 9.060 8.971 0.143
147 HZ1 LYS 19 3HZ LYS 19 10.174 8.415 -2.222
148 HZ2 LYS 19 1HZ LYS 19 9.785 6.856 -1.695
149 HZ3 LYS 19 2HZ LYS 19 10.769 7.849 -0.743
150 H CYS 20 H CYS 20 4.303 5.902 -3.209
151 HA CYS 20 HA CYS 20 5.721 4.164 -5.112
152 HB2 CYS 20 2HB CYS 20 3.963 4.502 -6.656
153 HB3 CYS 20 3HB CYS 20 3.169 4.249 -5.105
154 H ILE 21 H ILE 21 5.732 5.495 -7.386
155 HA ILE 21 HA ILE 21 7.189 7.986 -6.786
156 HB ILE 21 HB ILE 21 8.370 7.552 -8.984
157 HG12 ILE 21 2HG1 ILE 21 7.892 4.662 -8.743
158 HG13 ILE 21 3HG1 ILE 21 6.490 5.578 -9.285
159 HG21 ILE 21 1HG2 ILE 21 9.111 5.284 -7.264
160 HG22 ILE 21 2HG2 ILE 21 10.080 6.639 -7.839
161 HG23 ILE 21 3HG2 ILE 21 9.007 6.848 -6.456
162 HD11 ILE 21 3HD1 ILE 21 9.017 4.992 -10.657
163 HD12 ILE 21 1HD1 ILE 21 7.397 5.240 -11.306
164 HD13 ILE 21 2HD1 ILE 21 8.395 6.628 -10.870
165 H ASP 22 H ASP 22 4.956 8.916 -6.921
166 HA ASP 22 HA ASP 22 4.507 9.863 -9.641
167 HB2 ASP 22 2HB ASP 22 2.751 8.008 -8.270
168 HB3 ASP 22 3HB ASP 22 1.914 9.510 -8.655
169 H GLN 23 H GLN 23 3.614 10.066 -6.222
170 HA GLN 23 HA GLN 23 3.157 12.953 -6.588
171 HB2 GLN 23 2HB GLN 23 1.852 12.743 -4.411
172 HB3 GLN 23 3HB GLN 23 1.122 12.025 -5.840
173 HG2 GLN 23 2HG GLN 23 2.026 9.824 -5.119
174 HG3 GLN 23 3HG GLN 23 2.568 10.592 -3.627
175 HE21 GLN 23 1HE2 GLN 23 1.177 8.943 -2.658
176 HE22 GLN 23 2HE2 GLN 23 -0.507 9.281 -2.478
177 H LYS 24 H LYS 24 5.322 10.742 -5.422
178 HA LYS 24 HA LYS 24 7.167 10.878 -4.100
179 HB2 LYS 24 2HB LYS 24 7.359 13.073 -5.378
180 HB3 LYS 24 3HB LYS 24 6.673 13.850 -3.958
181 HG2 LYS 24 2HG LYS 24 8.541 13.414 -2.658
182 HG3 LYS 24 3HG LYS 24 9.094 12.113 -3.714
183 HD2 LYS 24 2HD LYS 24 9.575 13.785 -5.467
184 HD3 LYS 24 3HD LYS 24 9.095 15.064 -4.348
185 HE2 LYS 24 2HE LYS 24 11.539 14.762 -4.452
186 HE3 LYS 24 3HE LYS 24 10.888 14.466 -2.840
187 HZ1 LYS 24 3HZ LYS 24 11.652 12.398 -2.878
188 HZ2 LYS 24 1HZ LYS 24 12.494 12.783 -4.294
189 HZ3 LYS 24 2HZ LYS 24 10.960 12.079 -4.388
190 H GLY 25 H GLY 25 6.651 9.862 -2.238
191 HA2 GLY 25 2HA GLY 25 4.812 10.853 -0.323
192 HA3 GLY 25 3HA GLY 25 5.958 9.545 -0.070
193 H SER 26 H SER 26 5.437 12.996 0.158
194 HA SER 26 HA SER 26 7.993 13.729 1.084
195 HB2 SER 26 2HB SER 26 6.878 15.643 0.576
196 HB3 SER 26 3HB SER 26 5.309 14.961 1.001
197 HG SER 26 HG SER 26 5.731 16.477 2.531
198 H THR 27 H THR 27 5.329 12.168 2.625
199 HA THR 27 HA THR 27 6.819 11.457 4.903
200 HB THR 27 HB THR 27 6.616 13.665 5.733
201 HG1 THR 27 HG1 THR 27 5.732 13.141 7.618
202 HG21 THR 27 3HG2 THR 27 3.648 13.570 5.193
203 HG22 THR 27 1HG2 THR 27 4.819 14.356 4.135
204 HG23 THR 27 2HG2 THR 27 4.585 14.944 5.781
205 H TYR 28 H TYR 28 3.518 12.202 3.814
206 HA TYR 28 HA TYR 28 2.071 10.461 5.365
207 HB2 TYR 28 2HB TYR 28 0.504 10.307 3.367
208 HB3 TYR 28 3HB TYR 28 0.880 11.930 3.935
209 HD1 TYR 28 HD2 TYR 28 2.472 13.346 2.647
210 HD2 TYR 28 HD1 TYR 28 1.106 9.595 1.176
211 HE1 TYR 28 HE2 TYR 28 3.209 13.972 0.386
212 HE2 TYR 28 HE1 TYR 28 1.839 10.210 -1.090
213 HH TYR 28 HH TYR 28 3.435 13.320 -1.723
214 H ARG 29 H ARG 29 2.374 8.377 5.746
215 HA ARG 29 HA ARG 29 3.865 6.679 4.007
216 HB2 ARG 29 2HB ARG 29 3.426 4.934 5.621
217 HB3 ARG 29 3HB ARG 29 3.824 6.420 6.473
218 HG2 ARG 29 2HG ARG 29 1.070 6.507 6.244
219 HG3 ARG 29 3HG ARG 29 1.423 4.810 6.574
220 HD2 ARG 29 2HD ARG 29 2.387 5.273 8.624
221 HD3 ARG 29 3HD ARG 29 2.753 6.942 8.188
222 HE ARG 29 HE ARG 29 0.648 7.557 8.875
223 HH11 ARG 29 1HH1 ARG 29 0.844 4.088 8.667
224 HH12 ARG 29 2HH1 ARG 29 -0.678 3.824 9.450
225 HH21 ARG 29 1HH2 ARG 29 -1.359 7.223 9.907
226 HH22 ARG 29 2HH2 ARG 29 -1.931 5.608 10.154
227 H LEU 30 H LEU 30 3.189 5.423 2.392
228 HA LEU 30 HA LEU 30 0.600 5.592 1.342
229 HB2 LEU 30 2HB LEU 30 3.064 4.441 0.607
230 HB3 LEU 30 3HB LEU 30 1.863 3.153 0.528
231 HG LEU 30 HG LEU 30 0.494 4.786 -0.905
232 HD11 LEU 30 1HD1 LEU 30 2.697 6.441 -0.294
233 HD12 LEU 30 2HD1 LEU 30 1.322 6.792 -1.342
234 HD13 LEU 30 3HD1 LEU 30 2.782 6.069 -2.016
235 HD21 LEU 30 3HD2 LEU 30 1.241 3.000 -2.110
236 HD22 LEU 30 1HD2 LEU 30 2.927 3.259 -1.662
237 HD23 LEU 30 2HD2 LEU 30 2.174 4.280 -2.887
238 H CYS 31 H CYS 31 -0.301 3.131 0.684
239 HA CYS 31 HA CYS 31 -0.491 1.371 2.930
240 HB2 CYS 31 2HB CYS 31 -2.482 3.501 2.590
241 HB3 CYS 31 3HB CYS 31 -3.181 1.890 2.717
242 H CYS 32 H CYS 32 -1.309 -0.610 2.368
243 HA CYS 32 HA CYS 32 -2.118 -0.905 -0.448
244 HB2 CYS 32 2HB CYS 32 -0.025 -2.033 0.007
245 HB3 CYS 32 3HB CYS 32 -0.725 -2.852 1.399
246 H ARG 33 H ARG 33 -3.901 -2.121 -0.976
247 HA ARG 33 HA ARG 33 -5.656 -2.827 1.278
248 HB2 ARG 33 2HB ARG 33 -7.478 -2.698 -0.500
249 HB3 ARG 33 3HB ARG 33 -6.732 -1.180 -0.021
250 HG2 ARG 33 2HG ARG 33 -5.886 -0.807 -2.061
251 HG3 ARG 33 3HG ARG 33 -5.445 -2.499 -2.297
252 HD2 ARG 33 2HD ARG 33 -7.915 -2.952 -2.631
253 HD3 ARG 33 3HD ARG 33 -8.129 -1.204 -2.706
254 HE ARG 33 HE ARG 33 -6.117 -2.074 -4.513
255 HH11 ARG 33 1HH1 ARG 33 -9.566 -1.919 -4.066
256 HH12 ARG 33 2HH1 ARG 33 -9.917 -1.903 -5.763
257 HH21 ARG 33 1HH2 ARG 33 -6.566 -2.053 -6.750
258 HH22 ARG 33 2HH2 ARG 33 -8.210 -1.980 -7.288
259 H ARG 34 H ARG 34 -5.136 -4.930 1.681
260 HA ARG 34 HA ARG 34 -4.611 -6.863 -0.322
261 HB2 ARG 34 2HB ARG 34 -4.694 -8.491 1.468
262 HB3 ARG 34 3HB ARG 34 -3.834 -7.059 2.020
263 HG2 ARG 34 2HG ARG 34 -6.384 -6.495 2.787
264 HG3 ARG 34 3HG ARG 34 -6.324 -8.248 2.982
265 HD2 ARG 34 2HD ARG 34 -3.917 -7.372 4.033
266 HD3 ARG 34 3HD ARG 34 -5.078 -6.154 4.559
267 HE ARG 34 HE ARG 34 -6.007 -7.700 5.966
268 HH11 ARG 34 1HH1 ARG 34 -4.008 -9.338 3.633
269 HH12 ARG 34 2HH1 ARG 34 -4.139 -10.881 4.411
270 HH21 ARG 34 1HH2 ARG 34 -6.187 -9.726 6.999
271 HH22 ARG 34 2HH2 ARG 34 -5.379 -11.101 6.324
Start of MODEL 2
1 H1 SER 1 H SER 1 2.612 -2.224 -1.245
2 HA SER 1 HA SER 1 0.829 -0.084 -0.285
3 HB2 SER 1 2HB SER 1 2.157 1.288 -2.118
4 HB3 SER 1 3HB SER 1 2.786 1.124 -0.479
5 HG SER 1 HG SER 1 3.655 -0.064 -2.854
6 H CYS 2 H CYS 2 -1.053 -0.255 -1.293
7 HA CYS 2 HA CYS 2 -1.053 -0.821 -4.180
8 HB2 CYS 2 2HB CYS 2 -3.074 -1.896 -2.203
9 HB3 CYS 2 3HB CYS 2 -3.040 -2.201 -3.936
10 H THR 3 H THR 3 -1.193 1.689 -2.671
11 HA THR 3 HA THR 3 -3.438 2.837 -4.044
12 HB THR 3 HB THR 3 -3.460 3.215 -1.058
13 HG1 THR 3 HG1 THR 3 -5.159 1.645 -1.041
14 HG21 THR 3 3HG2 THR 3 -5.506 4.250 -1.375
15 HG22 THR 3 1HG2 THR 3 -5.802 3.431 -2.907
16 HG23 THR 3 2HG2 THR 3 -4.628 4.744 -2.822
17 H CYS 4 H CYS 4 -1.685 3.988 -4.999
18 HA CYS 4 HA CYS 4 0.116 5.579 -3.494
19 HB2 CYS 4 2HB CYS 4 -0.413 5.019 -6.278
20 HB3 CYS 4 3HB CYS 4 -0.146 6.743 -6.040
21 H ARG 5 H ARG 5 -1.151 6.754 -2.017
22 HA ARG 5 HA ARG 5 -2.357 9.155 -3.179
23 HB2 ARG 5 2HB ARG 5 -4.351 9.012 -1.938
24 HB3 ARG 5 3HB ARG 5 -4.122 7.398 -2.598
25 HG2 ARG 5 2HG ARG 5 -2.983 6.881 -0.344
26 HG3 ARG 5 3HG ARG 5 -3.789 8.348 0.217
27 HD2 ARG 5 2HD ARG 5 -5.404 6.332 -1.254
28 HD3 ARG 5 3HD ARG 5 -4.928 5.964 0.403
29 HE ARG 5 HE ARG 5 -6.011 8.556 0.304
30 HH11 ARG 5 1HH1 ARG 5 -6.976 5.223 0.020
31 HH12 ARG 5 2HH1 ARG 5 -8.588 5.505 0.588
32 HH21 ARG 5 1HH2 ARG 5 -8.131 8.940 1.054
33 HH22 ARG 5 2HH2 ARG 5 -9.244 7.620 1.175
34 H ARG 6 H ARG 6 -2.883 10.759 -1.332
35 HA ARG 6 HA ARG 6 -0.741 10.628 0.687
36 HB2 ARG 6 2HB ARG 6 -1.490 13.340 0.020
37 HB3 ARG 6 3HB ARG 6 0.099 12.587 0.012
38 HG2 ARG 6 2HG ARG 6 -0.519 11.610 -2.236
39 HG3 ARG 6 3HG ARG 6 -1.909 12.697 -2.215
40 HD2 ARG 6 2HD ARG 6 0.953 13.593 -1.913
41 HD3 ARG 6 3HD ARG 6 0.074 13.585 -3.442
42 HE ARG 6 HE ARG 6 -1.445 15.018 -1.595
43 HH11 ARG 6 1HH1 ARG 6 1.623 15.263 -3.224
44 HH12 ARG 6 2HH1 ARG 6 1.640 16.995 -3.209
45 HH21 ARG 6 1HH2 ARG 6 -1.434 17.298 -1.570
46 HH22 ARG 6 2HH2 ARG 6 -0.099 18.152 -2.267
47 H ALA 7 H ALA 7 -1.622 10.424 2.631
48 HA ALA 7 HA ALA 7 -3.347 12.317 3.760
49 HB1 ALA 7 1HB ALA 7 -5.183 11.567 2.563
50 HB2 ALA 7 2HB ALA 7 -4.675 9.880 2.642
51 HB3 ALA 7 3HB ALA 7 -5.322 10.673 4.077
52 H TRP 8 H TRP 8 -3.521 12.064 5.966
53 HA TRP 8 HA TRP 8 -1.643 10.443 7.256
54 HB2 TRP 8 2HB TRP 8 -3.813 12.261 8.074
55 HB3 TRP 8 3HB TRP 8 -3.414 11.015 9.254
56 HD1 TRP 8 HD1 TRP 8 -0.877 11.041 10.239
57 HE1 TRP 8 HE1 TRP 8 0.793 12.981 10.505
58 HE3 TRP 8 HE3 TRP 8 -3.027 14.406 7.046
59 HZ2 TRP 8 HZ2 TRP 8 1.152 15.593 9.495
60 HZ3 TRP 8 HZ3 TRP 8 -1.958 16.602 6.753
61 HH2 TRP 8 HH2 TRP 8 0.088 17.182 7.953
62 H ILE 9 H ILE 9 -4.813 9.740 6.156
63 HA ILE 9 HA ILE 9 -4.816 7.227 7.697
64 HB ILE 9 HB ILE 9 -7.246 7.147 7.378
65 HG12 ILE 9 2HG1 ILE 9 -8.177 9.551 6.680
66 HG13 ILE 9 3HG1 ILE 9 -6.678 9.582 5.758
67 HG21 ILE 9 1HG2 ILE 9 -7.789 8.653 9.072
68 HG22 ILE 9 2HG2 ILE 9 -6.067 8.360 9.312
69 HG23 ILE 9 3HG2 ILE 9 -6.608 9.842 8.524
70 HD11 ILE 9 3HD1 ILE 9 -8.901 8.674 4.716
71 HD12 ILE 9 1HD1 ILE 9 -7.351 7.917 4.352
72 HD13 ILE 9 2HD1 ILE 9 -8.428 7.191 5.545
73 H CYS 10 H CYS 10 -6.288 5.543 6.464
74 HA CYS 10 HA CYS 10 -5.551 5.552 3.615
75 HB2 CYS 10 2HB CYS 10 -5.432 3.094 5.364
76 HB3 CYS 10 3HB CYS 10 -4.861 3.263 3.707
77 H ARG 11 H ARG 11 -6.661 3.200 2.827
78 HA ARG 11 HA ARG 11 -9.343 3.815 2.470
79 HB2 ARG 11 2HB ARG 11 -7.933 1.148 2.297
80 HB3 ARG 11 3HB ARG 11 -9.583 1.420 1.752
81 HG2 ARG 11 2HG ARG 11 -7.770 3.367 0.627
82 HG3 ARG 11 3HG ARG 11 -7.262 1.716 0.266
83 HD2 ARG 11 2HD ARG 11 -8.732 2.505 -1.477
84 HD3 ARG 11 3HD ARG 11 -9.538 1.232 -0.559
85 HE ARG 11 HE ARG 11 -10.196 3.780 0.484
86 HH11 ARG 11 1HH1 ARG 11 -10.837 1.666 -2.206
87 HH12 ARG 11 2HH1 ARG 11 -12.416 2.312 -2.506
88 HH21 ARG 11 1HH2 ARG 11 -12.273 4.640 0.099
89 HH22 ARG 11 2HH2 ARG 11 -13.232 4.005 -1.195
90 H TRP 12 H TRP 12 -8.399 0.848 4.170
91 HA TRP 12 HA TRP 12 -9.576 1.404 6.635
92 HB2 TRP 12 2HB TRP 12 -11.476 0.761 4.541
93 HB3 TRP 12 3HB TRP 12 -11.545 -0.419 5.847
94 HD1 TRP 12 HD1 TRP 12 -11.389 1.135 8.416
95 HE1 TRP 12 HE1 TRP 12 -13.086 2.958 9.063
96 HE3 TRP 12 HE3 TRP 12 -13.167 2.277 3.761
97 HZ2 TRP 12 HZ2 TRP 12 -14.935 4.656 7.771
98 HZ3 TRP 12 HZ3 TRP 12 -14.900 4.012 3.553
99 HH2 TRP 12 HH2 TRP 12 -15.764 5.175 5.518
100 H GLY 13 H GLY 13 -8.697 -0.021 7.984
101 HA2 GLY 13 2HA GLY 13 -7.573 -1.883 8.729
102 HA3 GLY 13 3HA GLY 13 -8.796 -2.773 7.834
103 H GLU 14 H GLU 14 -6.395 -0.609 6.433
104 HA GLU 14 HA GLU 14 -5.427 -2.831 4.805
105 HB2 GLU 14 2HB GLU 14 -4.174 -0.909 3.631
106 HB3 GLU 14 3HB GLU 14 -5.919 -1.001 3.443
107 HG2 GLU 14 2HG GLU 14 -5.117 1.286 3.834
108 HG3 GLU 14 3HG GLU 14 -6.239 0.734 5.076
109 H ARG 15 H ARG 15 -2.951 -2.473 4.209
110 HA ARG 15 HA ARG 15 -1.507 -2.331 6.774
111 HB2 ARG 15 2HB ARG 15 0.165 -3.854 5.563
112 HB3 ARG 15 3HB ARG 15 -1.360 -4.565 6.073
113 HG2 ARG 15 2HG ARG 15 -1.319 -3.450 3.349
114 HG3 ARG 15 3HG ARG 15 -0.307 -4.871 3.622
115 HD2 ARG 15 2HD ARG 15 -3.210 -4.718 4.409
116 HD3 ARG 15 3HD ARG 15 -2.657 -5.342 2.856
117 HE ARG 15 HE ARG 15 -2.554 -6.678 5.386
118 HH11 ARG 15 1HH1 ARG 15 -1.052 -6.414 2.257
119 HH12 ARG 15 2HH1 ARG 15 -0.403 -8.020 2.288
120 HH21 ARG 15 1HH2 ARG 15 -1.705 -8.794 5.440
121 HH22 ARG 15 2HH2 ARG 15 -0.776 -9.373 4.099
122 H HIS 16 H HIS 16 0.981 -2.048 6.273
123 HA HIS 16 HA HIS 16 1.215 0.250 4.443
124 HB2 HIS 16 2HB HIS 16 1.500 1.024 6.686
125 HB3 HIS 16 3HB HIS 16 2.584 -0.309 7.076
126 HD1 HIS 16 HD1 HIS 16 4.834 0.646 7.412
127 HD2 HIS 16 HD2 HIS 16 2.880 2.406 4.196
128 HE1 HIS 16 HE1 HIS 16 6.493 2.250 6.414
129 H SER 17 H SER 17 3.030 0.426 3.137
130 HA SER 17 HA SER 17 5.222 -1.380 3.250
131 HB2 SER 17 2HB SER 17 2.881 -2.153 1.665
132 HB3 SER 17 3HB SER 17 4.380 -2.136 0.737
133 HG SER 17 HG SER 17 3.616 -3.755 2.868
134 H GLY 18 H GLY 18 6.296 0.637 3.133
135 HA2 GLY 18 2HA GLY 18 7.499 2.238 2.008
136 HA3 GLY 18 3HA GLY 18 7.084 1.393 0.524
137 H LYS 19 H LYS 19 7.088 3.712 -0.213
138 HA LYS 19 HA LYS 19 4.368 4.798 0.074
139 HB2 LYS 19 2HB LYS 19 5.227 7.058 0.057
140 HB3 LYS 19 3HB LYS 19 5.986 6.163 1.367
141 HG2 LYS 19 2HG LYS 19 7.759 5.762 -0.653
142 HG3 LYS 19 3HG LYS 19 7.166 7.385 -1.017
143 HD2 LYS 19 2HD LYS 19 8.694 8.074 0.471
144 HD3 LYS 19 3HD LYS 19 7.556 7.498 1.692
145 HE2 LYS 19 2HE LYS 19 8.721 5.223 1.395
146 HE3 LYS 19 3HE LYS 19 9.999 6.142 0.601
147 HZ1 LYS 19 3HZ LYS 19 9.215 7.315 3.083
148 HZ2 LYS 19 1HZ LYS 19 10.754 6.859 2.547
149 HZ3 LYS 19 2HZ LYS 19 9.744 5.721 3.286
150 H CYS 20 H CYS 20 4.471 6.831 -1.727
151 HA CYS 20 HA CYS 20 4.382 5.414 -4.214
152 HB2 CYS 20 2HB CYS 20 2.998 7.510 -3.288
153 HB3 CYS 20 3HB CYS 20 4.245 8.385 -4.171
154 H ILE 21 H ILE 21 5.486 6.123 -6.176
155 HA ILE 21 HA ILE 21 8.236 6.994 -5.588
156 HB ILE 21 HB ILE 21 7.302 5.443 -8.002
157 HG12 ILE 21 2HG1 ILE 21 8.836 3.705 -6.577
158 HG13 ILE 21 3HG1 ILE 21 8.036 4.580 -5.276
159 HG21 ILE 21 1HG2 ILE 21 9.305 6.596 -8.503
160 HG22 ILE 21 2HG2 ILE 21 10.011 6.197 -6.937
161 HG23 ILE 21 3HG2 ILE 21 9.772 4.933 -8.144
162 HD11 ILE 21 3HD1 ILE 21 6.880 2.802 -7.360
163 HD12 ILE 21 1HD1 ILE 21 6.580 2.853 -5.623
164 HD13 ILE 21 2HD1 ILE 21 5.887 4.088 -6.675
165 H ASP 22 H ASP 22 5.363 7.755 -7.301
166 HA ASP 22 HA ASP 22 6.728 9.640 -9.067
167 HB2 ASP 22 2HB ASP 22 4.155 8.249 -9.082
168 HB3 ASP 22 3HB ASP 22 4.020 9.953 -9.506
169 H GLN 23 H GLN 23 4.143 9.642 -6.621
170 HA GLN 23 HA GLN 23 3.733 12.403 -6.532
171 HB2 GLN 23 2HB GLN 23 3.297 10.193 -4.548
172 HB3 GLN 23 3HB GLN 23 2.988 11.866 -4.103
173 HG2 GLN 23 2HG GLN 23 1.145 12.021 -5.403
174 HG3 GLN 23 3HG GLN 23 1.778 10.918 -6.624
175 HE21 GLN 23 1HE2 GLN 23 1.022 10.721 -3.159
176 HE22 GLN 23 2HE2 GLN 23 0.079 9.278 -3.274
177 H LYS 24 H LYS 24 5.256 10.652 -3.845
178 HA LYS 24 HA LYS 24 7.719 11.948 -3.854
179 HB2 LYS 24 2HB LYS 24 5.538 13.579 -2.854
180 HB3 LYS 24 3HB LYS 24 6.758 13.317 -1.614
181 HG2 LYS 24 2HG LYS 24 8.351 14.497 -2.731
182 HG3 LYS 24 3HG LYS 24 7.686 14.107 -4.319
183 HD2 LYS 24 2HD LYS 24 5.666 15.576 -3.322
184 HD3 LYS 24 3HD LYS 24 7.024 16.313 -2.467
185 HE2 LYS 24 2HE LYS 24 8.079 16.246 -4.909
186 HE3 LYS 24 3HE LYS 24 6.377 16.291 -5.364
187 HZ1 LYS 24 3HZ LYS 24 6.315 18.444 -4.914
188 HZ2 LYS 24 1HZ LYS 24 7.978 18.421 -4.601
189 HZ3 LYS 24 2HZ LYS 24 6.876 18.191 -3.339
190 H GLY 25 H GLY 25 5.464 11.644 -1.117
191 HA2 GLY 25 2HA GLY 25 5.343 9.838 0.403
192 HA3 GLY 25 3HA GLY 25 6.853 9.219 -0.249
193 H SER 26 H SER 26 6.764 12.574 0.452
194 HA SER 26 HA SER 26 8.919 12.487 2.220
195 HB2 SER 26 2HB SER 26 8.573 14.566 1.209
196 HB3 SER 26 3HB SER 26 6.852 14.574 1.589
197 HG SER 26 HG SER 26 9.016 14.939 3.385
198 H THR 27 H THR 27 5.548 12.010 2.768
199 HA THR 27 HA THR 27 6.074 11.404 5.560
200 HB THR 27 HB THR 27 3.728 12.761 5.884
201 HG1 THR 27 HG1 THR 27 3.790 14.624 4.731
202 HG21 THR 27 3HG2 THR 27 5.591 14.670 6.526
203 HG22 THR 27 1HG2 THR 27 6.549 13.190 6.528
204 HG23 THR 27 2HG2 THR 27 5.121 13.318 7.555
205 H TYR 28 H TYR 28 3.116 12.043 3.682
206 HA TYR 28 HA TYR 28 1.561 10.019 4.645
207 HB2 TYR 28 2HB TYR 28 0.369 10.083 2.436
208 HB3 TYR 28 3HB TYR 28 0.614 11.661 3.175
209 HD1 TYR 28 HD2 TYR 28 2.430 13.152 2.296
210 HD2 TYR 28 HD1 TYR 28 1.272 9.574 0.306
211 HE1 TYR 28 HE2 TYR 28 3.513 13.953 0.238
212 HE2 TYR 28 HE1 TYR 28 2.354 10.364 -1.757
213 HH TYR 28 HH TYR 28 3.005 13.232 -2.510
214 H ARG 29 H ARG 29 1.908 7.913 4.795
215 HA ARG 29 HA ARG 29 3.641 6.590 2.848
216 HB2 ARG 29 2HB ARG 29 3.529 4.675 4.471
217 HB3 ARG 29 3HB ARG 29 4.243 6.147 5.116
218 HG2 ARG 29 2HG ARG 29 1.347 5.863 5.537
219 HG3 ARG 29 3HG ARG 29 2.362 4.691 6.380
220 HD2 ARG 29 2HD ARG 29 2.973 6.216 7.877
221 HD3 ARG 29 3HD ARG 29 3.495 7.319 6.603
222 HE ARG 29 HE ARG 29 0.826 7.641 6.587
223 HH11 ARG 29 1HH1 ARG 29 3.177 7.671 9.154
224 HH12 ARG 29 2HH1 ARG 29 2.285 8.789 10.133
225 HH21 ARG 29 1HH2 ARG 29 -0.357 9.112 7.866
226 HH22 ARG 29 2HH2 ARG 29 0.275 9.607 9.400
227 H LEU 30 H LEU 30 2.912 5.204 1.356
228 HA LEU 30 HA LEU 30 0.247 5.034 0.630
229 HB2 LEU 30 2HB LEU 30 2.732 3.666 -0.091
230 HB3 LEU 30 3HB LEU 30 1.280 2.701 -0.354
231 HG LEU 30 HG LEU 30 0.407 4.288 -1.897
232 HD11 LEU 30 1HD1 LEU 30 0.993 6.338 -0.772
233 HD12 LEU 30 2HD1 LEU 30 1.599 6.383 -2.427
234 HD13 LEU 30 3HD1 LEU 30 2.706 6.064 -1.092
235 HD21 LEU 30 3HD2 LEU 30 1.703 3.321 -3.417
236 HD22 LEU 30 1HD2 LEU 30 2.997 3.098 -2.239
237 HD23 LEU 30 2HD2 LEU 30 2.892 4.599 -3.160
238 H CYS 31 H CYS 31 -1.027 2.943 0.452
239 HA CYS 31 HA CYS 31 -0.686 1.142 2.716
240 HB2 CYS 31 2HB CYS 31 -3.137 2.862 2.307
241 HB3 CYS 31 3HB CYS 31 -3.106 1.446 3.353
242 H CYS 32 H CYS 32 -1.161 -0.888 2.167
243 HA CYS 32 HA CYS 32 -2.601 -1.326 -0.359
244 HB2 CYS 32 2HB CYS 32 -0.294 -2.187 -0.281
245 HB3 CYS 32 3HB CYS 32 -0.710 -3.168 1.121
246 H ARG 33 H ARG 33 -4.307 -2.749 -0.484
247 HA ARG 33 HA ARG 33 -5.246 -3.928 2.043
248 HB2 ARG 33 2HB ARG 33 -6.469 -1.805 1.459
249 HB3 ARG 33 3HB ARG 33 -7.051 -2.613 0.010
250 HG2 ARG 33 2HG ARG 33 -7.499 -3.957 2.615
251 HG3 ARG 33 3HG ARG 33 -8.466 -2.530 2.239
252 HD2 ARG 33 2HD ARG 33 -8.686 -3.862 -0.085
253 HD3 ARG 33 3HD ARG 33 -8.489 -5.220 1.021
254 HE ARG 33 HE ARG 33 -10.400 -3.615 2.168
255 HH11 ARG 33 1HH1 ARG 33 -10.016 -5.295 -0.857
256 HH12 ARG 33 2HH1 ARG 33 -11.715 -5.550 -1.081
257 HH21 ARG 33 1HH2 ARG 33 -12.639 -3.944 1.884
258 HH22 ARG 33 2HH2 ARG 33 -13.206 -4.780 0.478
259 H ARG 34 H ARG 34 -5.021 -6.050 1.702
260 HA ARG 34 HA ARG 34 -6.542 -7.288 -0.422
261 HB2 ARG 34 2HB ARG 34 -4.695 -8.550 -1.361
262 HB3 ARG 34 3HB ARG 34 -4.368 -6.828 -1.501
263 HG2 ARG 34 2HG ARG 34 -2.923 -6.974 0.495
264 HG3 ARG 34 3HG ARG 34 -3.199 -8.717 0.530
265 HD2 ARG 34 2HD ARG 34 -2.139 -7.352 -1.921
266 HD3 ARG 34 3HD ARG 34 -1.066 -7.837 -0.608
267 HE ARG 34 HE ARG 34 -2.634 -10.039 -1.292
268 HH11 ARG 34 1HH1 ARG 34 -0.160 -8.034 -2.699
269 HH12 ARG 34 2HH1 ARG 34 0.469 -9.293 -3.709
270 HH21 ARG 34 1HH2 ARG 34 -1.815 -11.705 -2.618
271 HH22 ARG 34 2HH2 ARG 34 -0.474 -11.380 -3.663
Start of MODEL 3
1 H1 SER 1 H SER 1 -6.079 0.547 -3.923
2 HA SER 1 HA SER 1 -4.902 -1.211 -1.983
3 HB2 SER 1 2HB SER 1 -4.138 -2.856 -3.793
4 HB3 SER 1 3HB SER 1 -5.815 -2.980 -3.264
5 HG SER 1 HG SER 1 -4.866 -2.502 -5.719
6 H CYS 2 H CYS 2 -3.059 -0.190 -1.600
7 HA CYS 2 HA CYS 2 -1.088 0.907 -1.887
8 HB2 CYS 2 2HB CYS 2 -1.296 -0.617 -4.472
9 HB3 CYS 2 3HB CYS 2 0.062 0.459 -4.161
10 H THR 3 H THR 3 -3.619 2.215 -2.598
11 HA THR 3 HA THR 3 -3.547 3.762 -4.878
12 HB THR 3 HB THR 3 -4.542 4.546 -2.133
13 HG1 THR 3 HG1 THR 3 -6.099 3.765 -4.367
14 HG21 THR 3 3HG2 THR 3 -5.971 6.162 -3.423
15 HG22 THR 3 1HG2 THR 3 -4.952 5.843 -4.826
16 HG23 THR 3 2HG2 THR 3 -4.255 6.566 -3.376
17 H CYS 4 H CYS 4 -2.233 5.286 -5.626
18 HA CYS 4 HA CYS 4 -0.009 6.199 -4.060
19 HB2 CYS 4 2HB CYS 4 -0.241 5.765 -6.664
20 HB3 CYS 4 3HB CYS 4 -0.713 7.461 -6.673
21 H ARG 5 H ARG 5 -1.703 7.097 -2.451
22 HA ARG 5 HA ARG 5 -2.288 9.896 -3.163
23 HB2 ARG 5 2HB ARG 5 -4.081 9.820 -1.478
24 HB3 ARG 5 3HB ARG 5 -4.326 8.631 -2.750
25 HG2 ARG 5 2HG ARG 5 -3.289 6.932 -1.208
26 HG3 ARG 5 3HG ARG 5 -3.383 8.155 0.062
27 HD2 ARG 5 2HD ARG 5 -5.687 7.012 -1.513
28 HD3 ARG 5 3HD ARG 5 -5.305 6.685 0.176
29 HE ARG 5 HE ARG 5 -5.602 9.373 0.115
30 HH11 ARG 5 1HH1 ARG 5 -7.578 6.718 -0.963
31 HH12 ARG 5 2HH1 ARG 5 -9.073 7.556 -0.704
32 HH21 ARG 5 1HH2 ARG 5 -7.563 10.486 0.460
33 HH22 ARG 5 2HH2 ARG 5 -9.063 9.699 0.104
34 H ARG 6 H ARG 6 -2.532 11.240 -1.015
35 HA ARG 6 HA ARG 6 -0.413 10.524 0.879
36 HB2 ARG 6 2HB ARG 6 -0.198 13.303 0.521
37 HB3 ARG 6 3HB ARG 6 0.974 12.073 0.071
38 HG2 ARG 6 2HG ARG 6 -0.121 11.865 -2.124
39 HG3 ARG 6 3HG ARG 6 -1.230 13.160 -1.666
40 HD2 ARG 6 2HD ARG 6 1.743 13.312 -2.086
41 HD3 ARG 6 3HD ARG 6 0.473 14.169 -2.959
42 HE ARG 6 HE ARG 6 1.697 14.956 -0.505
43 HH11 ARG 6 1HH1 ARG 6 -1.266 15.075 -2.328
44 HH12 ARG 6 2HH1 ARG 6 -1.827 16.529 -1.570
45 HH21 ARG 6 1HH2 ARG 6 0.970 16.870 0.501
46 HH22 ARG 6 2HH2 ARG 6 -0.553 17.549 0.038
47 H ALA 7 H ALA 7 -1.410 10.453 2.780
48 HA ALA 7 HA ALA 7 -2.591 12.732 3.951
49 HB1 ALA 7 1HB ALA 7 -4.357 11.449 2.281
50 HB2 ALA 7 2HB ALA 7 -4.753 10.782 3.866
51 HB3 ALA 7 3HB ALA 7 -4.788 12.527 3.609
52 H TRP 8 H TRP 8 -3.856 12.011 6.040
53 HA TRP 8 HA TRP 8 -2.129 10.053 7.356
54 HB2 TRP 8 2HB TRP 8 -3.159 12.552 8.130
55 HB3 TRP 8 3HB TRP 8 -3.992 11.365 9.129
56 HD1 TRP 8 HD1 TRP 8 -0.457 12.672 8.372
57 HE1 TRP 8 HE1 TRP 8 1.080 12.038 10.337
58 HE3 TRP 8 HE3 TRP 8 -3.703 9.755 11.034
59 HZ2 TRP 8 HZ2 TRP 8 0.936 10.504 12.702
60 HZ3 TRP 8 HZ3 TRP 8 -2.926 8.741 13.137
61 HH2 TRP 8 HH2 TRP 8 -0.654 9.109 13.952
62 H ILE 9 H ILE 9 -4.434 9.375 5.573
63 HA ILE 9 HA ILE 9 -5.640 7.421 7.353
64 HB ILE 9 HB ILE 9 -7.933 7.910 6.576
65 HG12 ILE 9 2HG1 ILE 9 -8.098 10.429 5.735
66 HG13 ILE 9 3HG1 ILE 9 -6.486 10.076 5.122
67 HG21 ILE 9 1HG2 ILE 9 -6.787 10.371 7.860
68 HG22 ILE 9 2HG2 ILE 9 -8.360 9.621 8.127
69 HG23 ILE 9 3HG2 ILE 9 -6.896 8.831 8.712
70 HD11 ILE 9 3HD1 ILE 9 -7.258 8.504 3.629
71 HD12 ILE 9 1HD1 ILE 9 -8.741 8.213 4.538
72 HD13 ILE 9 2HD1 ILE 9 -8.552 9.702 3.612
73 H CYS 10 H CYS 10 -7.326 6.099 5.915
74 HA CYS 10 HA CYS 10 -6.361 5.790 3.181
75 HB2 CYS 10 2HB CYS 10 -6.302 3.551 5.215
76 HB3 CYS 10 3HB CYS 10 -6.049 3.344 3.485
77 H ARG 11 H ARG 11 -7.652 3.896 2.119
78 HA ARG 11 HA ARG 11 -10.313 4.599 1.981
79 HB2 ARG 11 2HB ARG 11 -9.047 1.920 1.381
80 HB3 ARG 11 3HB ARG 11 -10.670 2.386 0.891
81 HG2 ARG 11 2HG ARG 11 -8.555 4.260 0.100
82 HG3 ARG 11 3HG ARG 11 -8.463 2.662 -0.644
83 HD2 ARG 11 2HD ARG 11 -10.535 2.884 -1.672
84 HD3 ARG 11 3HD ARG 11 -11.057 4.152 -0.564
85 HE ARG 11 HE ARG 11 -8.891 5.160 -1.963
86 HH11 ARG 11 1HH1 ARG 11 -12.099 4.007 -2.669
87 HH12 ARG 11 2HH1 ARG 11 -12.301 5.026 -4.055
88 HH21 ARG 11 1HH2 ARG 11 -9.145 6.506 -3.786
89 HH22 ARG 11 2HH2 ARG 11 -10.620 6.447 -4.690
90 H TRP 12 H TRP 12 -9.376 1.409 3.235
91 HA TRP 12 HA TRP 12 -10.629 1.700 5.748
92 HB2 TRP 12 2HB TRP 12 -12.354 0.975 3.508
93 HB3 TRP 12 3HB TRP 12 -12.389 -0.220 4.801
94 HD1 TRP 12 HD1 TRP 12 -14.258 2.646 3.775
95 HE1 TRP 12 HE1 TRP 12 -15.457 3.794 5.742
96 HE3 TRP 12 HE3 TRP 12 -11.696 0.506 7.647
97 HZ2 TRP 12 HZ2 TRP 12 -15.333 3.793 8.562
98 HZ3 TRP 12 HZ3 TRP 12 -12.298 1.134 9.949
99 HH2 TRP 12 HH2 TRP 12 -14.078 2.744 10.395
100 H GLY 13 H GLY 13 -9.864 0.161 7.070
101 HA2 GLY 13 2HA GLY 13 -8.630 -1.653 7.753
102 HA3 GLY 13 3HA GLY 13 -9.587 -2.540 6.576
103 H GLU 14 H GLU 14 -7.290 0.046 5.880
104 HA GLU 14 HA GLU 14 -5.886 -1.732 4.062
105 HB2 GLU 14 2HB GLU 14 -5.653 1.228 4.607
106 HB3 GLU 14 3HB GLU 14 -4.623 0.371 3.470
107 HG2 GLU 14 2HG GLU 14 -7.429 -0.155 2.994
108 HG3 GLU 14 3HG GLU 14 -7.053 1.566 2.926
109 H ARG 15 H ARG 15 -3.349 -0.981 4.024
110 HA ARG 15 HA ARG 15 -2.270 -1.036 6.732
111 HB2 ARG 15 2HB ARG 15 -1.600 -3.167 6.716
112 HB3 ARG 15 3HB ARG 15 -2.579 -3.397 5.273
113 HG2 ARG 15 2HG ARG 15 -0.610 -2.738 3.906
114 HG3 ARG 15 3HG ARG 15 0.345 -2.700 5.389
115 HD2 ARG 15 2HD ARG 15 0.528 -4.825 4.083
116 HD3 ARG 15 3HD ARG 15 0.009 -5.030 5.756
117 HE ARG 15 HE ARG 15 -2.150 -4.833 3.858
118 HH11 ARG 15 1HH1 ARG 15 0.073 -6.958 5.487
119 HH12 ARG 15 2HH1 ARG 15 -0.922 -8.363 5.291
120 HH21 ARG 15 1HH2 ARG 15 -3.469 -6.675 3.592
121 HH22 ARG 15 2HH2 ARG 15 -2.936 -8.201 4.212
122 H HIS 16 H HIS 16 0.075 -0.694 6.777
123 HA HIS 16 HA HIS 16 0.845 1.256 4.794
124 HB2 HIS 16 2HB HIS 16 1.399 1.803 7.046
125 HB3 HIS 16 3HB HIS 16 2.160 0.237 7.312
126 HD1 HIS 16 HD1 HIS 16 4.398 1.310 7.995
127 HD2 HIS 16 HD2 HIS 16 3.155 2.303 4.157
128 HE1 HIS 16 HE1 HIS 16 6.392 2.380 6.899
129 H SER 17 H SER 17 1.739 0.683 2.935
130 HA SER 17 HA SER 17 3.783 -1.422 2.938
131 HB2 SER 17 2HB SER 17 1.715 -2.472 2.145
132 HB3 SER 17 3HB SER 17 1.526 -1.209 0.930
133 HG SER 17 HG SER 17 2.492 -3.109 0.078
134 H GLY 18 H GLY 18 5.008 0.688 2.996
135 HA2 GLY 18 2HA GLY 18 6.618 1.840 1.762
136 HA3 GLY 18 3HA GLY 18 5.822 1.319 0.284
137 H LYS 19 H LYS 19 6.394 3.650 -0.202
138 HA LYS 19 HA LYS 19 4.062 5.310 0.452
139 HB2 LYS 19 2HB LYS 19 5.451 7.279 0.730
140 HB3 LYS 19 3HB LYS 19 5.956 6.035 1.866
141 HG2 LYS 19 2HG LYS 19 7.615 5.488 -0.172
142 HG3 LYS 19 3HG LYS 19 7.398 7.223 -0.412
143 HD2 LYS 19 2HD LYS 19 8.752 7.676 1.294
144 HD3 LYS 19 3HD LYS 19 7.796 6.660 2.376
145 HE2 LYS 19 2HE LYS 19 9.086 4.746 1.032
146 HE3 LYS 19 3HE LYS 19 10.271 6.041 0.868
147 HZ1 LYS 19 3HZ LYS 19 9.235 4.822 3.358
148 HZ2 LYS 19 1HZ LYS 19 10.053 6.303 3.356
149 HZ3 LYS 19 2HZ LYS 19 10.837 4.904 2.819
150 H CYS 20 H CYS 20 4.375 3.784 -1.852
151 HA CYS 20 HA CYS 20 4.314 3.896 -4.125
152 HB2 CYS 20 2HB CYS 20 2.813 5.974 -3.167
153 HB3 CYS 20 3HB CYS 20 3.927 6.810 -4.243
154 H ILE 21 H ILE 21 5.118 5.490 -6.059
155 HA ILE 21 HA ILE 21 7.700 6.664 -5.471
156 HB ILE 21 HB ILE 21 8.806 5.254 -7.271
157 HG12 ILE 21 2HG1 ILE 21 6.928 3.053 -6.628
158 HG13 ILE 21 3HG1 ILE 21 6.332 4.282 -7.738
159 HG21 ILE 21 1HG2 ILE 21 8.092 3.544 -4.932
160 HG22 ILE 21 2HG2 ILE 21 9.658 3.803 -5.698
161 HG23 ILE 21 3HG2 ILE 21 8.959 5.058 -4.676
162 HD11 ILE 21 3HD1 ILE 21 8.040 2.090 -8.268
163 HD12 ILE 21 1HD1 ILE 21 7.416 3.300 -9.389
164 HD13 ILE 21 2HD1 ILE 21 8.946 3.575 -8.555
165 H ASP 22 H ASP 22 6.344 8.458 -6.245
166 HA ASP 22 HA ASP 22 6.916 9.072 -8.950
167 HB2 ASP 22 2HB ASP 22 4.354 7.809 -8.402
168 HB3 ASP 22 3HB ASP 22 4.156 9.407 -9.118
169 H GLN 23 H GLN 23 4.089 9.954 -6.984
170 HA GLN 23 HA GLN 23 4.537 12.733 -7.318
171 HB2 GLN 23 2HB GLN 23 2.684 13.040 -5.786
172 HB3 GLN 23 3HB GLN 23 2.305 11.750 -6.920
173 HG2 GLN 23 2HG GLN 23 2.740 10.079 -5.264
174 HG3 GLN 23 3HG GLN 23 3.343 11.291 -4.135
175 HE21 GLN 23 1HE2 GLN 23 1.230 9.416 -3.693
176 HE22 GLN 23 2HE2 GLN 23 -0.206 10.327 -3.393
177 H LYS 24 H LYS 24 4.179 13.932 -4.916
178 HA LYS 24 HA LYS 24 6.768 13.478 -3.640
179 HB2 LYS 24 2HB LYS 24 4.859 15.753 -3.115
180 HB3 LYS 24 3HB LYS 24 6.579 15.684 -2.755
181 HG2 LYS 24 2HG LYS 24 6.718 15.356 -5.388
182 HG3 LYS 24 3HG LYS 24 5.193 16.241 -5.309
183 HD2 LYS 24 2HD LYS 24 6.226 18.164 -4.831
184 HD3 LYS 24 3HD LYS 24 7.241 17.403 -3.604
185 HE2 LYS 24 2HE LYS 24 8.882 17.935 -5.068
186 HE3 LYS 24 3HE LYS 24 8.398 16.408 -5.804
187 HZ1 LYS 24 3HZ LYS 24 6.721 18.303 -6.878
188 HZ2 LYS 24 1HZ LYS 24 8.027 17.554 -7.649
189 HZ3 LYS 24 2HZ LYS 24 8.244 19.038 -6.867
190 H GLY 25 H GLY 25 6.388 14.498 -1.141
191 HA2 GLY 25 2HA GLY 25 4.477 14.067 0.568
192 HA3 GLY 25 3HA GLY 25 4.736 12.398 0.082
193 H SER 26 H SER 26 5.510 14.681 2.340
194 HA SER 26 HA SER 26 8.199 14.383 2.889
195 HB2 SER 26 2HB SER 26 5.798 14.925 4.593
196 HB3 SER 26 3HB SER 26 7.351 14.631 5.375
197 HG SER 26 HG SER 26 7.773 16.632 4.935
198 H THR 27 H THR 27 5.783 12.722 4.891
199 HA THR 27 HA THR 27 7.437 10.289 4.752
200 HB THR 27 HB THR 27 6.015 10.648 7.289
201 HG1 THR 27 HG1 THR 27 6.651 12.795 7.059
202 HG21 THR 27 3HG2 THR 27 7.845 9.554 8.166
203 HG22 THR 27 1HG2 THR 27 8.961 10.254 6.994
204 HG23 THR 27 2HG2 THR 27 7.865 8.961 6.505
205 H TYR 28 H TYR 28 4.895 11.169 3.427
206 HA TYR 28 HA TYR 28 2.693 9.825 4.536
207 HB2 TYR 28 2HB TYR 28 1.591 10.221 2.498
208 HB3 TYR 28 3HB TYR 28 2.741 11.547 2.630
209 HD1 TYR 28 HD2 TYR 28 5.238 10.129 1.804
210 HD2 TYR 28 HD1 TYR 28 1.308 10.025 0.179
211 HE1 TYR 28 HE2 TYR 28 6.170 9.544 -0.396
212 HE2 TYR 28 HE1 TYR 28 2.228 9.439 -2.026
213 HH TYR 28 HH TYR 28 4.063 8.840 -3.155
214 H ARG 29 H ARG 29 1.591 7.936 3.460
215 HA ARG 29 HA ARG 29 3.355 5.975 2.255
216 HB2 ARG 29 2HB ARG 29 2.669 4.252 3.992
217 HB3 ARG 29 3HB ARG 29 3.846 5.453 4.508
218 HG2 ARG 29 2HG ARG 29 0.971 6.004 5.009
219 HG3 ARG 29 3HG ARG 29 1.784 4.797 6.008
220 HD2 ARG 29 2HD ARG 29 3.093 6.336 7.037
221 HD3 ARG 29 3HD ARG 29 3.210 7.353 5.602
222 HE ARG 29 HE ARG 29 0.646 7.687 6.341
223 HH11 ARG 29 1HH1 ARG 29 3.643 7.873 8.104
224 HH12 ARG 29 2HH1 ARG 29 3.060 9.057 9.226
225 HH21 ARG 29 1HH2 ARG 29 -0.133 9.245 7.813
226 HH22 ARG 29 2HH2 ARG 29 0.912 9.836 9.061
227 H LEU 30 H LEU 30 2.284 4.684 0.876
228 HA LEU 30 HA LEU 30 -0.350 5.210 0.133
229 HB2 LEU 30 2HB LEU 30 -0.196 3.112 -1.176
230 HB3 LEU 30 3HB LEU 30 1.163 4.208 -1.417
231 HG LEU 30 HG LEU 30 2.338 2.710 0.362
232 HD11 LEU 30 1HD1 LEU 30 -0.143 1.267 -0.165
233 HD12 LEU 30 2HD1 LEU 30 1.010 1.101 1.158
234 HD13 LEU 30 3HD1 LEU 30 1.308 0.287 -0.377
235 HD21 LEU 30 3HD2 LEU 30 3.513 1.963 -1.382
236 HD22 LEU 30 1HD2 LEU 30 2.356 2.833 -2.389
237 HD23 LEU 30 2HD2 LEU 30 2.125 1.115 -2.063
238 H CYS 31 H CYS 31 -1.818 3.013 -0.138
239 HA CYS 31 HA CYS 31 -2.108 1.820 2.529
240 HB2 CYS 31 2HB CYS 31 -4.460 2.867 0.949
241 HB3 CYS 31 3HB CYS 31 -4.461 2.254 2.600
242 H CYS 32 H CYS 32 -1.540 -0.219 1.968
243 HA CYS 32 HA CYS 32 -3.082 -1.496 -0.195
244 HB2 CYS 32 2HB CYS 32 -0.301 -1.338 0.130
245 HB3 CYS 32 3HB CYS 32 -0.726 -2.984 0.587
246 H ARG 33 H ARG 33 -3.957 -3.536 0.160
247 HA ARG 33 HA ARG 33 -3.833 -4.545 2.921
248 HB2 ARG 33 2HB ARG 33 -5.936 -3.286 2.568
249 HB3 ARG 33 3HB ARG 33 -6.332 -4.356 1.230
250 HG2 ARG 33 2HG ARG 33 -5.821 -6.068 3.353
251 HG3 ARG 33 3HG ARG 33 -6.716 -4.725 4.067
252 HD2 ARG 33 2HD ARG 33 -8.441 -4.985 2.327
253 HD3 ARG 33 3HD ARG 33 -7.556 -6.364 1.678
254 HE ARG 33 HE ARG 33 -9.291 -6.357 3.935
255 HH11 ARG 33 1HH1 ARG 33 -6.416 -7.823 2.631
256 HH12 ARG 33 2HH1 ARG 33 -6.604 -9.295 3.525
257 HH21 ARG 33 1HH2 ARG 33 -9.550 -8.290 5.117
258 HH22 ARG 33 2HH2 ARG 33 -8.387 -9.560 4.938
259 H ARG 34 H ARG 34 -2.171 -5.819 1.550
260 HA ARG 34 HA ARG 34 -3.036 -7.741 -0.314
261 HB2 ARG 34 2HB ARG 34 -0.610 -7.478 1.434
262 HB3 ARG 34 3HB ARG 34 -0.863 -8.934 0.481
263 HG2 ARG 34 2HG ARG 34 -0.776 -7.726 -1.555
264 HG3 ARG 34 3HG ARG 34 -0.855 -6.177 -0.713
265 HD2 ARG 34 2HD ARG 34 1.348 -6.155 -0.324
266 HD3 ARG 34 3HD ARG 34 1.363 -7.847 0.169
267 HE ARG 34 HE ARG 34 1.107 -7.444 -2.672
268 HH11 ARG 34 1HH1 ARG 34 3.307 -7.816 0.000
269 HH12 ARG 34 2HH1 ARG 34 4.619 -8.370 -0.987
270 HH21 ARG 34 1HH2 ARG 34 2.826 -8.172 -3.983
271 HH22 ARG 34 2HH2 ARG 34 4.344 -8.571 -3.253
Start of MODEL 4
1 H1 SER 1 H SER 1 1.288 -2.063 0.074
2 HA SER 1 HA SER 1 1.389 -0.180 -1.215
3 HB2 SER 1 2HB SER 1 3.135 -0.157 -3.105
4 HB3 SER 1 3HB SER 1 3.735 -0.266 -1.450
5 HG SER 1 HG SER 1 4.788 -1.806 -2.664
6 H CYS 2 H CYS 2 -0.701 -0.507 -1.968
7 HA CYS 2 HA CYS 2 -0.858 -1.322 -4.773
8 HB2 CYS 2 2HB CYS 2 -2.930 -2.238 -2.784
9 HB3 CYS 2 3HB CYS 2 -2.727 -2.752 -4.456
10 H THR 3 H THR 3 -1.058 1.160 -2.967
11 HA THR 3 HA THR 3 -3.118 2.445 -4.497
12 HB THR 3 HB THR 3 -3.535 2.539 -1.520
13 HG1 THR 3 HG1 THR 3 -4.165 0.517 -1.723
14 HG21 THR 3 3HG2 THR 3 -5.532 3.596 -2.006
15 HG22 THR 3 1HG2 THR 3 -5.631 2.896 -3.621
16 HG23 THR 3 2HG2 THR 3 -4.495 4.205 -3.296
17 H CYS 4 H CYS 4 -1.203 3.631 -5.076
18 HA CYS 4 HA CYS 4 0.516 4.976 -3.402
19 HB2 CYS 4 2HB CYS 4 -0.513 5.535 -6.156
20 HB3 CYS 4 3HB CYS 4 0.489 6.741 -5.356
21 H ARG 5 H ARG 5 -0.156 6.070 -1.653
22 HA ARG 5 HA ARG 5 -1.763 8.462 -2.088
23 HB2 ARG 5 2HB ARG 5 -2.474 6.349 -0.045
24 HB3 ARG 5 3HB ARG 5 -3.189 7.954 -0.117
25 HG2 ARG 5 2HG ARG 5 -4.116 7.469 -2.307
26 HG3 ARG 5 3HG ARG 5 -3.355 5.876 -2.290
27 HD2 ARG 5 2HD ARG 5 -5.645 5.600 -1.674
28 HD3 ARG 5 3HD ARG 5 -4.665 5.358 -0.229
29 HE ARG 5 HE ARG 5 -5.709 7.153 0.714
30 HH11 ARG 5 1HH1 ARG 5 -6.120 7.312 -2.740
31 HH12 ARG 5 2HH1 ARG 5 -7.188 8.674 -2.681
32 HH21 ARG 5 1HH2 ARG 5 -7.115 8.947 0.804
33 HH22 ARG 5 2HH2 ARG 5 -7.753 9.604 -0.665
34 H ARG 6 H ARG 6 -1.763 9.882 -0.132
35 HA ARG 6 HA ARG 6 0.795 9.607 1.303
36 HB2 ARG 6 2HB ARG 6 -0.360 12.282 1.302
37 HB3 ARG 6 3HB ARG 6 1.261 11.758 0.868
38 HG2 ARG 6 2HG ARG 6 0.483 11.150 -1.359
39 HG3 ARG 6 3HG ARG 6 -1.155 11.644 -0.925
40 HD2 ARG 6 2HD ARG 6 0.898 13.677 -0.431
41 HD3 ARG 6 3HD ARG 6 0.700 13.241 -2.128
42 HE ARG 6 HE ARG 6 -1.163 14.682 -0.478
43 HH11 ARG 6 1HH1 ARG 6 -0.777 12.701 -3.314
44 HH12 ARG 6 2HH1 ARG 6 -2.211 13.295 -4.084
45 HH21 ARG 6 1HH2 ARG 6 -3.053 15.472 -1.481
46 HH22 ARG 6 2HH2 ARG 6 -3.505 14.872 -3.040
47 H ALA 7 H ALA 7 0.456 11.550 3.214
48 HA ALA 7 HA ALA 7 -0.421 11.953 5.277
49 HB1 ALA 7 1HB ALA 7 -2.999 10.734 4.327
50 HB2 ALA 7 2HB ALA 7 -2.759 11.961 5.571
51 HB3 ALA 7 3HB ALA 7 -2.494 12.362 3.874
52 H TRP 8 H TRP 8 -1.618 10.764 7.159
53 HA TRP 8 HA TRP 8 -0.417 8.108 7.313
54 HB2 TRP 8 2HB TRP 8 -0.701 10.235 9.136
55 HB3 TRP 8 3HB TRP 8 -1.730 8.940 9.742
56 HD1 TRP 8 HD1 TRP 8 0.072 6.449 8.970
57 HE1 TRP 8 HE1 TRP 8 2.274 6.030 10.235
58 HE3 TRP 8 HE3 TRP 8 0.888 11.166 10.763
59 HZ2 TRP 8 HZ2 TRP 8 4.113 7.504 11.788
60 HZ3 TRP 8 HZ3 TRP 8 2.892 11.578 12.131
61 HH2 TRP 8 HH2 TRP 8 4.469 9.783 12.632
62 H ILE 9 H ILE 9 -3.020 8.858 5.910
63 HA ILE 9 HA ILE 9 -4.699 6.841 7.250
64 HB ILE 9 HB ILE 9 -6.685 8.002 6.383
65 HG12 ILE 9 2HG1 ILE 9 -6.073 10.526 5.758
66 HG13 ILE 9 3HG1 ILE 9 -4.593 9.758 5.196
67 HG21 ILE 9 1HG2 ILE 9 -4.875 9.732 8.063
68 HG22 ILE 9 2HG2 ILE 9 -6.622 9.916 7.922
69 HG23 ILE 9 3HG2 ILE 9 -5.945 8.459 8.649
70 HD11 ILE 9 3HD1 ILE 9 -7.205 8.617 4.355
71 HD12 ILE 9 1HD1 ILE 9 -6.632 10.102 3.596
72 HD13 ILE 9 2HD1 ILE 9 -5.655 8.636 3.514
73 H CYS 10 H CYS 10 -6.483 6.095 5.583
74 HA CYS 10 HA CYS 10 -5.729 5.981 2.840
75 HB2 CYS 10 2HB CYS 10 -4.697 3.929 4.651
76 HB3 CYS 10 3HB CYS 10 -5.615 3.261 3.306
77 H ARG 11 H ARG 11 -6.975 3.799 1.926
78 HA ARG 11 HA ARG 11 -9.657 4.414 1.960
79 HB2 ARG 11 2HB ARG 11 -8.332 1.747 1.448
80 HB3 ARG 11 3HB ARG 11 -10.022 2.087 1.102
81 HG2 ARG 11 2HG ARG 11 -8.062 3.963 -0.050
82 HG3 ARG 11 3HG ARG 11 -8.057 2.323 -0.703
83 HD2 ARG 11 2HD ARG 11 -10.727 3.480 -0.369
84 HD3 ARG 11 3HD ARG 11 -9.706 4.342 -1.518
85 HE ARG 11 HE ARG 11 -9.581 1.571 -2.020
86 HH11 ARG 11 1HH1 ARG 11 -11.735 4.289 -2.317
87 HH12 ARG 11 2HH1 ARG 11 -12.591 3.629 -3.672
88 HH21 ARG 11 1HH2 ARG 11 -10.700 0.691 -3.803
89 HH22 ARG 11 2HH2 ARG 11 -12.002 1.582 -4.515
90 H TRP 12 H TRP 12 -8.550 1.341 3.353
91 HA TRP 12 HA TRP 12 -9.493 1.754 5.955
92 HB2 TRP 12 2HB TRP 12 -11.550 1.112 4.003
93 HB3 TRP 12 3HB TRP 12 -11.471 -0.090 5.288
94 HD1 TRP 12 HD1 TRP 12 -11.040 1.534 7.836
95 HE1 TRP 12 HE1 TRP 12 -12.764 3.253 8.671
96 HE3 TRP 12 HE3 TRP 12 -13.480 2.440 3.435
97 HZ2 TRP 12 HZ2 TRP 12 -14.879 4.790 7.605
98 HZ3 TRP 12 HZ3 TRP 12 -15.342 4.048 3.429
99 HH2 TRP 12 HH2 TRP 12 -16.026 5.197 5.471
100 H GLY 13 H GLY 13 -8.516 0.270 7.175
101 HA2 GLY 13 2HA GLY 13 -7.293 -1.592 7.740
102 HA3 GLY 13 3HA GLY 13 -8.519 -2.471 6.838
103 H GLU 14 H GLU 14 -6.303 -0.108 5.464
104 HA GLU 14 HA GLU 14 -5.307 -2.174 3.658
105 HB2 GLU 14 2HB GLU 14 -5.155 0.836 3.633
106 HB3 GLU 14 3HB GLU 14 -4.235 -0.159 2.513
107 HG2 GLU 14 2HG GLU 14 -6.841 -1.120 2.350
108 HG3 GLU 14 3HG GLU 14 -7.000 0.634 2.424
109 H ARG 15 H ARG 15 -3.469 -3.185 4.077
110 HA ARG 15 HA ARG 15 -1.760 -2.571 6.201
111 HB2 ARG 15 2HB ARG 15 -0.325 -4.291 5.375
112 HB3 ARG 15 3HB ARG 15 -1.978 -4.794 5.049
113 HG2 ARG 15 2HG ARG 15 -1.750 -4.110 2.729
114 HG3 ARG 15 3HG ARG 15 -0.107 -3.549 3.046
115 HD2 ARG 15 2HD ARG 15 0.710 -5.599 2.779
116 HD3 ARG 15 3HD ARG 15 -0.433 -6.259 3.948
117 HE ARG 15 HE ARG 15 -1.742 -5.806 1.495
118 HH11 ARG 15 1HH1 ARG 15 0.604 -7.918 2.962
119 HH12 ARG 15 2HH1 ARG 15 0.235 -9.259 1.929
120 HH21 ARG 15 1HH2 ARG 15 -2.238 -7.564 0.130
121 HH22 ARG 15 2HH2 ARG 15 -1.381 -9.057 0.318
122 H HIS 16 H HIS 16 0.035 -1.352 6.410
123 HA HIS 16 HA HIS 16 0.686 0.446 4.214
124 HB2 HIS 16 2HB HIS 16 0.771 0.581 7.096
125 HB3 HIS 16 3HB HIS 16 2.337 1.019 6.418
126 HD1 HIS 16 HD1 HIS 16 -0.809 2.463 7.295
127 HD2 HIS 16 HD2 HIS 16 1.973 3.101 4.276
128 HE1 HIS 16 HE1 HIS 16 -1.298 4.764 6.405
129 H SER 17 H SER 17 2.790 0.742 3.406
130 HA SER 17 HA SER 17 4.989 -0.874 4.228
131 HB2 SER 17 2HB SER 17 3.299 -1.772 1.934
132 HB3 SER 17 3HB SER 17 5.048 -1.965 1.810
133 HG SER 17 HG SER 17 4.877 -3.033 3.921
134 H GLY 18 H GLY 18 5.613 1.438 4.242
135 HA2 GLY 18 2HA GLY 18 6.868 3.151 3.371
136 HA3 GLY 18 3HA GLY 18 7.304 2.043 2.078
137 H LYS 19 H LYS 19 7.168 3.430 0.374
138 HA LYS 19 HA LYS 19 4.484 4.164 -0.460
139 HB2 LYS 19 2HB LYS 19 5.030 6.487 -0.896
140 HB3 LYS 19 3HB LYS 19 5.285 6.129 0.807
141 HG2 LYS 19 2HG LYS 19 7.564 5.982 -1.119
142 HG3 LYS 19 3HG LYS 19 7.032 7.536 -0.473
143 HD2 LYS 19 2HD LYS 19 7.173 6.229 1.820
144 HD3 LYS 19 3HD LYS 19 8.314 5.234 0.912
145 HE2 LYS 19 2HE LYS 19 9.376 7.497 0.241
146 HE3 LYS 19 3HE LYS 19 8.477 8.142 1.614
147 HZ1 LYS 19 3HZ LYS 19 10.594 6.073 1.638
148 HZ2 LYS 19 1HZ LYS 19 9.567 6.333 2.957
149 HZ3 LYS 19 2HZ LYS 19 10.590 7.570 2.424
150 H CYS 20 H CYS 20 4.552 5.132 -2.728
151 HA CYS 20 HA CYS 20 6.405 3.522 -4.312
152 HB2 CYS 20 2HB CYS 20 4.898 4.057 -6.201
153 HB3 CYS 20 3HB CYS 20 4.044 3.306 -4.857
154 H ILE 21 H ILE 21 6.360 6.550 -3.061
155 HA ILE 21 HA ILE 21 7.378 8.532 -3.545
156 HB ILE 21 HB ILE 21 9.176 6.741 -5.183
157 HG12 ILE 21 2HG1 ILE 21 9.559 7.739 -2.356
158 HG13 ILE 21 3HG1 ILE 21 8.897 6.155 -2.745
159 HG21 ILE 21 1HG2 ILE 21 10.707 8.806 -4.240
160 HG22 ILE 21 2HG2 ILE 21 10.049 8.681 -5.871
161 HG23 ILE 21 3HG2 ILE 21 9.189 9.609 -4.642
162 HD11 ILE 21 3HD1 ILE 21 11.089 5.634 -2.399
163 HD12 ILE 21 1HD1 ILE 21 11.103 5.927 -4.137
164 HD13 ILE 21 2HD1 ILE 21 11.671 7.175 -3.027
165 H ASP 22 H ASP 22 5.681 9.482 -4.706
166 HA ASP 22 HA ASP 22 6.327 10.095 -7.442
167 HB2 ASP 22 2HB ASP 22 4.009 8.335 -6.747
168 HB3 ASP 22 3HB ASP 22 3.843 9.481 -8.074
169 H GLN 23 H GLN 23 3.241 10.142 -5.676
170 HA GLN 23 HA GLN 23 2.691 12.828 -6.348
171 HB2 GLN 23 2HB GLN 23 1.524 11.018 -4.232
172 HB3 GLN 23 3HB GLN 23 0.899 12.623 -4.588
173 HG2 GLN 23 2HG GLN 23 0.490 11.899 -6.918
174 HG3 GLN 23 3HG GLN 23 1.003 10.274 -6.465
175 HE21 GLN 23 1HE2 GLN 23 -0.299 9.050 -5.082
176 HE22 GLN 23 2HE2 GLN 23 -1.963 9.434 -4.824
177 H LYS 24 H LYS 24 2.300 14.568 -4.724
178 HA LYS 24 HA LYS 24 4.672 15.211 -3.371
179 HB2 LYS 24 2HB LYS 24 2.339 16.545 -4.084
180 HB3 LYS 24 3HB LYS 24 2.338 16.601 -2.326
181 HG2 LYS 24 2HG LYS 24 3.498 18.504 -2.791
182 HG3 LYS 24 3HG LYS 24 4.832 17.354 -2.673
183 HD2 LYS 24 2HD LYS 24 5.406 17.708 -4.795
184 HD3 LYS 24 3HD LYS 24 3.758 17.397 -5.347
185 HE2 LYS 24 2HE LYS 24 4.160 19.990 -4.023
186 HE3 LYS 24 3HE LYS 24 5.030 19.789 -5.544
187 HZ1 LYS 24 3HZ LYS 24 2.495 18.822 -6.007
188 HZ2 LYS 24 1HZ LYS 24 3.139 20.287 -6.557
189 HZ3 LYS 24 2HZ LYS 24 2.261 20.238 -5.112
190 H GLY 25 H GLY 25 4.042 16.210 -0.913
191 HA2 GLY 25 2HA GLY 25 2.970 15.478 1.169
192 HA3 GLY 25 3HA GLY 25 3.188 13.826 0.610
193 H SER 26 H SER 26 4.112 15.308 3.057
194 HA SER 26 HA SER 26 6.908 15.662 2.926
195 HB2 SER 26 2HB SER 26 5.856 16.674 4.770
196 HB3 SER 26 3HB SER 26 4.978 15.204 5.191
197 HG SER 26 HG SER 26 6.656 15.390 6.622
198 H THR 27 H THR 27 5.312 13.129 4.840
199 HA THR 27 HA THR 27 7.603 11.411 4.594
200 HB THR 27 HB THR 27 5.140 10.187 5.623
201 HG1 THR 27 HG1 THR 27 4.646 12.183 6.419
202 HG21 THR 27 3HG2 THR 27 6.572 9.191 7.083
203 HG22 THR 27 1HG2 THR 27 7.539 10.648 7.300
204 HG23 THR 27 2HG2 THR 27 7.754 9.654 5.860
205 H TYR 28 H TYR 28 4.190 11.162 3.592
206 HA TYR 28 HA TYR 28 3.189 10.049 1.879
207 HB2 TYR 28 2HB TYR 28 5.065 11.165 0.577
208 HB3 TYR 28 3HB TYR 28 5.938 9.642 0.700
209 HD1 TYR 28 HD1 TYR 28 2.300 10.160 0.131
210 HD2 TYR 28 HD2 TYR 28 6.012 8.890 -1.515
211 HE1 TYR 28 HE1 TYR 28 1.124 9.331 -1.864
212 HE2 TYR 28 HE2 TYR 28 4.847 8.058 -3.515
213 HH TYR 28 HH TYR 28 2.178 8.889 -4.569
214 H ARG 29 H ARG 29 2.340 8.135 2.317
215 HA ARG 29 HA ARG 29 3.996 5.755 2.253
216 HB2 ARG 29 2HB ARG 29 2.970 4.952 4.436
217 HB3 ARG 29 3HB ARG 29 4.215 6.187 4.566
218 HG2 ARG 29 2HG ARG 29 1.539 7.305 4.349
219 HG3 ARG 29 3HG ARG 29 1.739 6.250 5.750
220 HD2 ARG 29 2HD ARG 29 2.925 7.799 6.816
221 HD3 ARG 29 3HD ARG 29 4.033 7.952 5.453
222 HE ARG 29 HE ARG 29 1.915 9.383 4.630
223 HH11 ARG 29 1HH1 ARG 29 3.726 9.383 7.603
224 HH12 ARG 29 2HH1 ARG 29 3.448 11.063 7.925
225 HH21 ARG 29 1HH2 ARG 29 1.542 11.595 5.042
226 HH22 ARG 29 2HH2 ARG 29 2.205 12.320 6.468
227 H LEU 30 H LEU 30 2.897 4.825 0.616
228 HA LEU 30 HA LEU 30 0.058 4.943 0.360
229 HB2 LEU 30 2HB LEU 30 0.367 4.008 -1.665
230 HB3 LEU 30 3HB LEU 30 2.038 4.489 -1.378
231 HG LEU 30 HG LEU 30 0.899 1.731 -0.925
232 HD11 LEU 30 1HD1 LEU 30 3.010 1.973 -2.877
233 HD12 LEU 30 2HD1 LEU 30 1.617 2.961 -3.313
234 HD13 LEU 30 3HD1 LEU 30 1.416 1.233 -3.026
235 HD21 LEU 30 3HD2 LEU 30 2.955 1.050 -0.175
236 HD22 LEU 30 1HD2 LEU 30 2.896 2.682 0.490
237 HD23 LEU 30 2HD2 LEU 30 3.810 2.364 -0.985
238 H CYS 31 H CYS 31 -1.138 2.762 -0.029
239 HA CYS 31 HA CYS 31 -0.383 0.777 1.991
240 HB2 CYS 31 2HB CYS 31 -3.245 1.658 1.779
241 HB3 CYS 31 3HB CYS 31 -2.440 0.818 3.100
242 H CYS 32 H CYS 32 -2.024 -1.138 1.845
243 HA CYS 32 HA CYS 32 -2.721 -1.630 -0.968
244 HB2 CYS 32 2HB CYS 32 -0.570 -2.723 -0.502
245 HB3 CYS 32 3HB CYS 32 -1.293 -3.572 0.860
246 H ARG 33 H ARG 33 -4.503 -2.939 -1.325
247 HA ARG 33 HA ARG 33 -6.393 -3.052 0.837
248 HB2 ARG 33 2HB ARG 33 -6.776 -2.632 -1.733
249 HB3 ARG 33 3HB ARG 33 -6.865 -4.387 -1.798
250 HG2 ARG 33 2HG ARG 33 -8.937 -4.386 -1.009
251 HG3 ARG 33 3HG ARG 33 -8.487 -3.351 0.347
252 HD2 ARG 33 2HD ARG 33 -10.158 -2.214 -0.928
253 HD3 ARG 33 3HD ARG 33 -8.619 -1.396 -1.195
254 HE ARG 33 HE ARG 33 -8.753 -1.958 -3.405
255 HH11 ARG 33 1HH1 ARG 33 -10.944 -3.969 -1.595
256 HH12 ARG 33 2HH1 ARG 33 -11.659 -4.683 -3.003
257 HH21 ARG 33 1HH2 ARG 33 -9.686 -2.890 -5.266
258 HH22 ARG 33 2HH2 ARG 33 -10.941 -4.069 -5.090
259 H ARG 34 H ARG 34 -5.536 -4.517 2.323
260 HA ARG 34 HA ARG 34 -4.987 -7.240 1.473
261 HB2 ARG 34 2HB ARG 34 -4.222 -7.619 3.721
262 HB3 ARG 34 3HB ARG 34 -3.565 -6.085 3.165
263 HG2 ARG 34 2HG ARG 34 -4.312 -5.233 5.075
264 HG3 ARG 34 3HG ARG 34 -5.929 -5.358 4.377
265 HD2 ARG 34 2HD ARG 34 -6.167 -6.461 6.399
266 HD3 ARG 34 3HD ARG 34 -5.862 -7.785 5.275
267 HE ARG 34 HE ARG 34 -3.447 -6.829 6.431
268 HH11 ARG 34 1HH1 ARG 34 -6.251 -8.789 7.076
269 HH12 ARG 34 2HH1 ARG 34 -5.450 -9.781 8.249
270 HH21 ARG 34 1HH2 ARG 34 -2.381 -8.128 7.973
271 HH22 ARG 34 2HH2 ARG 34 -3.248 -9.404 8.759
Start of MODEL 5
1 H1 SER 1 H SER 1 -6.444 -0.236 -1.844
2 HA SER 1 HA SER 1 -4.873 -2.413 -2.684
3 HB2 SER 1 2HB SER 1 -6.038 -0.216 -4.410
4 HB3 SER 1 3HB SER 1 -5.564 -1.830 -4.941
5 HG SER 1 HG SER 1 -7.297 -2.677 -3.987
6 H CYS 2 H CYS 2 -3.211 -0.595 -1.320
7 HA CYS 2 HA CYS 2 -1.151 0.360 -1.445
8 HB2 CYS 2 2HB CYS 2 -1.197 -1.217 -4.010
9 HB3 CYS 2 3HB CYS 2 0.201 -0.254 -3.545
10 H THR 3 H THR 3 -3.440 1.872 -2.324
11 HA THR 3 HA THR 3 -3.155 3.295 -4.665
12 HB THR 3 HB THR 3 -4.115 4.312 -1.984
13 HG1 THR 3 HG1 THR 3 -5.517 3.326 -4.266
14 HG21 THR 3 3HG2 THR 3 -3.549 6.204 -3.376
15 HG22 THR 3 1HG2 THR 3 -5.303 6.036 -3.319
16 HG23 THR 3 2HG2 THR 3 -4.412 5.501 -4.744
17 H CYS 4 H CYS 4 -1.969 5.016 -5.358
18 HA CYS 4 HA CYS 4 0.435 5.622 -3.847
19 HB2 CYS 4 2HB CYS 4 0.028 5.256 -6.496
20 HB3 CYS 4 3HB CYS 4 -0.079 7.011 -6.410
21 H ARG 5 H ARG 5 -1.667 6.597 -2.468
22 HA ARG 5 HA ARG 5 -1.803 9.463 -3.097
23 HB2 ARG 5 2HB ARG 5 -3.776 9.582 -1.806
24 HB3 ARG 5 3HB ARG 5 -3.918 8.095 -2.733
25 HG2 ARG 5 2HG ARG 5 -2.882 7.002 -0.604
26 HG3 ARG 5 3HG ARG 5 -3.461 8.470 0.186
27 HD2 ARG 5 2HD ARG 5 -5.063 6.400 -1.296
28 HD3 ARG 5 3HD ARG 5 -5.182 6.855 0.404
29 HE ARG 5 HE ARG 5 -6.412 8.170 -1.831
30 HH11 ARG 5 1HH1 ARG 5 -5.234 8.570 1.421
31 HH12 ARG 5 2HH1 ARG 5 -6.258 9.925 1.764
32 HH21 ARG 5 1HH2 ARG 5 -7.765 9.953 -1.391
33 HH22 ARG 5 2HH2 ARG 5 -7.698 10.710 0.165
34 H ARG 6 H ARG 6 -1.835 10.928 -1.145
35 HA ARG 6 HA ARG 6 0.010 9.979 0.940
36 HB2 ARG 6 2HB ARG 6 0.504 12.730 0.552
37 HB3 ARG 6 3HB ARG 6 1.589 11.384 0.232
38 HG2 ARG 6 2HG ARG 6 0.632 11.196 -2.036
39 HG3 ARG 6 3HG ARG 6 -0.359 12.618 -1.702
40 HD2 ARG 6 2HD ARG 6 2.634 12.434 -1.913
41 HD3 ARG 6 3HD ARG 6 1.528 13.402 -2.886
42 HE ARG 6 HE ARG 6 2.647 14.094 -0.342
43 HH11 ARG 6 1HH1 ARG 6 -0.067 14.567 -2.470
44 HH12 ARG 6 2HH1 ARG 6 -0.485 16.112 -1.806
45 HH21 ARG 6 1HH2 ARG 6 2.107 16.127 0.540
46 HH22 ARG 6 2HH2 ARG 6 0.752 16.999 -0.095
47 H ALA 7 H ALA 7 -1.525 9.815 2.526
48 HA ALA 7 HA ALA 7 -2.415 12.297 3.699
49 HB1 ALA 7 1HB ALA 7 -4.668 12.129 3.424
50 HB2 ALA 7 2HB ALA 7 -4.148 11.372 1.918
51 HB3 ALA 7 3HB ALA 7 -4.633 10.371 3.286
52 H TRP 8 H TRP 8 -3.497 11.931 5.813
53 HA TRP 8 HA TRP 8 -2.075 9.932 7.289
54 HB2 TRP 8 2HB TRP 8 -3.688 12.290 7.881
55 HB3 TRP 8 3HB TRP 8 -3.994 10.968 9.003
56 HD1 TRP 8 HD1 TRP 8 -1.623 13.742 8.369
57 HE1 TRP 8 HE1 TRP 8 0.404 13.568 9.945
58 HE3 TRP 8 HE3 TRP 8 -2.370 9.002 10.133
59 HZ2 TRP 8 HZ2 TRP 8 1.537 11.673 11.703
60 HZ3 TRP 8 HZ3 TRP 8 -0.768 8.083 11.758
61 HH2 TRP 8 HH2 TRP 8 1.145 9.392 12.526
62 H ILE 9 H ILE 9 -5.147 10.107 5.768
63 HA ILE 9 HA ILE 9 -5.984 7.638 7.144
64 HB ILE 9 HB ILE 9 -8.299 8.214 6.593
65 HG12 ILE 9 2HG1 ILE 9 -8.496 10.800 5.953
66 HG13 ILE 9 3HG1 ILE 9 -6.952 10.462 5.179
67 HG21 ILE 9 1HG2 ILE 9 -6.659 9.449 8.507
68 HG22 ILE 9 2HG2 ILE 9 -7.730 10.705 7.890
69 HG23 ILE 9 3HG2 ILE 9 -8.407 9.224 8.567
70 HD11 ILE 9 3HD1 ILE 9 -9.222 8.619 4.666
71 HD12 ILE 9 1HD1 ILE 9 -9.221 10.203 3.890
72 HD13 ILE 9 2HD1 ILE 9 -7.883 9.087 3.619
73 H CYS 10 H CYS 10 -7.598 6.365 5.708
74 HA CYS 10 HA CYS 10 -6.923 6.467 2.875
75 HB2 CYS 10 2HB CYS 10 -6.438 4.020 4.587
76 HB3 CYS 10 3HB CYS 10 -6.353 4.054 2.829
77 H ARG 11 H ARG 11 -8.051 4.195 1.973
78 HA ARG 11 HA ARG 11 -10.743 4.720 1.852
79 HB2 ARG 11 2HB ARG 11 -9.338 2.060 1.559
80 HB3 ARG 11 3HB ARG 11 -11.007 2.353 1.089
81 HG2 ARG 11 2HG ARG 11 -8.989 4.191 -0.033
82 HG3 ARG 11 3HG ARG 11 -8.947 2.522 -0.605
83 HD2 ARG 11 2HD ARG 11 -11.590 3.860 -0.480
84 HD3 ARG 11 3HD ARG 11 -10.473 4.392 -1.735
85 HE ARG 11 HE ARG 11 -11.868 1.881 -1.604
86 HH11 ARG 11 1HH1 ARG 11 -9.100 3.560 -2.885
87 HH12 ARG 11 2HH1 ARG 11 -8.900 2.478 -4.223
88 HH21 ARG 11 1HH2 ARG 11 -11.615 0.450 -3.362
89 HH22 ARG 11 2HH2 ARG 11 -10.331 0.710 -4.494
90 H TRP 12 H TRP 12 -9.606 1.774 3.480
91 HA TRP 12 HA TRP 12 -10.694 2.289 6.000
92 HB2 TRP 12 2HB TRP 12 -12.643 1.509 3.993
93 HB3 TRP 12 3HB TRP 12 -12.593 0.358 5.326
94 HD1 TRP 12 HD1 TRP 12 -12.427 1.966 7.854
95 HE1 TRP 12 HE1 TRP 12 -14.187 3.717 8.532
96 HE3 TRP 12 HE3 TRP 12 -14.427 2.933 3.249
97 HZ2 TRP 12 HZ2 TRP 12 -16.162 5.299 7.281
98 HZ3 TRP 12 HZ3 TRP 12 -16.248 4.578 3.077
99 HH2 TRP 12 HH2 TRP 12 -17.097 5.735 5.052
100 H GLY 13 H GLY 13 -9.980 0.784 7.409
101 HA2 GLY 13 2HA GLY 13 -8.779 -1.027 8.157
102 HA3 GLY 13 3HA GLY 13 -9.800 -1.949 7.063
103 H GLU 14 H GLU 14 -7.398 0.511 6.228
104 HA GLU 14 HA GLU 14 -6.148 -1.367 4.401
105 HB2 GLU 14 2HB GLU 14 -5.526 1.544 4.930
106 HB3 GLU 14 3HB GLU 14 -4.860 0.572 3.626
107 HG2 GLU 14 2HG GLU 14 -7.798 0.684 3.777
108 HG3 GLU 14 3HG GLU 14 -6.982 2.188 3.354
109 H ARG 15 H ARG 15 -3.610 -1.005 4.278
110 HA ARG 15 HA ARG 15 -2.424 -0.967 6.944
111 HB2 ARG 15 2HB ARG 15 -1.426 -3.103 6.793
112 HB3 ARG 15 3HB ARG 15 -3.108 -3.341 6.337
113 HG2 ARG 15 2HG ARG 15 -2.301 -4.432 4.574
114 HG3 ARG 15 3HG ARG 15 -1.904 -2.839 3.928
115 HD2 ARG 15 2HD ARG 15 0.204 -3.574 3.840
116 HD3 ARG 15 3HD ARG 15 0.216 -3.370 5.591
117 HE ARG 15 HE ARG 15 -0.798 -5.919 4.763
118 HH11 ARG 15 1HH1 ARG 15 2.086 -4.090 5.440
119 HH12 ARG 15 2HH1 ARG 15 3.041 -5.487 5.812
120 HH21 ARG 15 1HH2 ARG 15 0.449 -7.766 5.250
121 HH22 ARG 15 2HH2 ARG 15 2.109 -7.577 5.703
122 H HIS 16 H HIS 16 -0.058 -0.896 6.885
123 HA HIS 16 HA HIS 16 0.857 0.859 4.818
124 HB2 HIS 16 2HB HIS 16 1.713 1.293 6.982
125 HB3 HIS 16 3HB HIS 16 2.179 -0.389 7.222
126 HD1 HIS 16 HD1 HIS 16 4.648 -0.057 7.586
127 HD2 HIS 16 HD2 HIS 16 3.283 1.729 4.092
128 HE1 HIS 16 HE1 HIS 16 6.714 0.680 6.356
129 H SER 17 H SER 17 1.817 0.348 2.968
130 HA SER 17 HA SER 17 2.962 -2.354 2.687
131 HB2 SER 17 2HB SER 17 0.912 -1.055 1.155
132 HB3 SER 17 3HB SER 17 2.310 -1.345 0.121
133 HG SER 17 HG SER 17 1.161 -3.330 1.786
134 H GLY 18 H GLY 18 3.396 1.043 2.285
135 HA2 GLY 18 2HA GLY 18 6.009 1.331 2.312
136 HA3 GLY 18 3HA GLY 18 5.823 0.680 0.691
137 H LYS 19 H LYS 19 6.316 2.380 -0.572
138 HA LYS 19 HA LYS 19 4.435 4.553 -0.704
139 HB2 LYS 19 2HB LYS 19 5.886 6.357 -0.249
140 HB3 LYS 19 3HB LYS 19 6.141 5.218 1.067
141 HG2 LYS 19 2HG LYS 19 8.039 4.395 -0.667
142 HG3 LYS 19 3HG LYS 19 7.978 6.119 -1.041
143 HD2 LYS 19 2HD LYS 19 8.090 6.434 1.526
144 HD3 LYS 19 3HD LYS 19 8.665 4.765 1.543
145 HE2 LYS 19 2HE LYS 19 10.144 5.994 -0.462
146 HE3 LYS 19 3HE LYS 19 10.057 7.201 0.820
147 HZ1 LYS 19 3HZ LYS 19 10.912 4.389 1.235
148 HZ2 LYS 19 1HZ LYS 19 10.968 5.645 2.367
149 HZ3 LYS 19 2HZ LYS 19 11.978 5.683 1.011
150 H CYS 20 H CYS 20 4.590 5.753 -2.646
151 HA CYS 20 HA CYS 20 6.600 4.893 -4.587
152 HB2 CYS 20 2HB CYS 20 4.794 4.593 -6.311
153 HB3 CYS 20 3HB CYS 20 4.813 3.367 -5.048
154 H ILE 21 H ILE 21 7.222 6.472 -5.966
155 HA ILE 21 HA ILE 21 6.404 9.149 -5.423
156 HB ILE 21 HB ILE 21 7.943 9.790 -7.227
157 HG12 ILE 21 2HG1 ILE 21 9.194 7.308 -7.795
158 HG13 ILE 21 3HG1 ILE 21 7.469 7.093 -8.073
159 HG21 ILE 21 1HG2 ILE 21 8.810 9.387 -4.981
160 HG22 ILE 21 2HG2 ILE 21 9.071 7.690 -5.381
161 HG23 ILE 21 3HG2 ILE 21 9.995 8.944 -6.209
162 HD11 ILE 21 3HD1 ILE 21 8.344 9.576 -9.203
163 HD12 ILE 21 1HD1 ILE 21 9.348 8.249 -9.784
164 HD13 ILE 21 2HD1 ILE 21 7.598 8.185 -9.989
165 H ASP 22 H ASP 22 5.062 10.477 -6.520
166 HA ASP 22 HA ASP 22 4.195 10.030 -9.185
167 HB2 ASP 22 2HB ASP 22 2.689 8.735 -7.067
168 HB3 ASP 22 3HB ASP 22 1.690 9.875 -7.964
169 H GLN 23 H GLN 23 3.189 11.423 -6.070
170 HA GLN 23 HA GLN 23 2.819 13.996 -7.451
171 HB2 GLN 23 2HB GLN 23 1.032 14.414 -5.638
172 HB3 GLN 23 3HB GLN 23 0.612 13.385 -7.001
173 HG2 GLN 23 2HG GLN 23 0.665 11.453 -5.727
174 HG3 GLN 23 3HG GLN 23 1.657 12.191 -4.470
175 HE21 GLN 23 1HE2 GLN 23 -0.823 10.742 -4.182
176 HE22 GLN 23 2HE2 GLN 23 -1.946 11.824 -3.438
177 H LYS 24 H LYS 24 5.053 12.776 -5.871
178 HA LYS 24 HA LYS 24 6.638 13.487 -4.402
179 HB2 LYS 24 2HB LYS 24 5.529 15.814 -5.456
180 HB3 LYS 24 3HB LYS 24 5.508 16.076 -3.717
181 HG2 LYS 24 2HG LYS 24 7.972 15.286 -3.816
182 HG3 LYS 24 3HG LYS 24 7.839 15.657 -5.537
183 HD2 LYS 24 2HD LYS 24 6.890 17.927 -4.721
184 HD3 LYS 24 3HD LYS 24 7.639 17.498 -3.182
185 HE2 LYS 24 2HE LYS 24 9.268 17.259 -5.658
186 HE3 LYS 24 3HE LYS 24 8.937 18.873 -5.034
187 HZ1 LYS 24 3HZ LYS 24 10.616 18.552 -3.644
188 HZ2 LYS 24 1HZ LYS 24 10.765 16.923 -4.077
189 HZ3 LYS 24 2HZ LYS 24 9.692 17.377 -2.852
190 H GLY 25 H GLY 25 6.583 12.430 -2.527
191 HA2 GLY 25 2HA GLY 25 4.884 13.477 -0.390
192 HA3 GLY 25 3HA GLY 25 4.678 11.786 -0.821
193 H SER 26 H SER 26 6.227 13.862 1.233
194 HA SER 26 HA SER 26 8.688 12.367 1.515
195 HB2 SER 26 2HB SER 26 7.514 14.804 2.788
196 HB3 SER 26 3HB SER 26 8.793 13.940 3.641
197 HG SER 26 HG SER 26 9.210 15.711 1.884
198 H THR 27 H THR 27 6.391 13.322 4.050
199 HA THR 27 HA THR 27 6.851 10.762 5.375
200 HB THR 27 HB THR 27 5.176 13.003 6.482
201 HG1 THR 27 HG1 THR 27 6.985 14.132 6.305
202 HG21 THR 27 3HG2 THR 27 5.309 10.678 7.533
203 HG22 THR 27 1HG2 THR 27 5.649 12.052 8.584
204 HG23 THR 27 2HG2 THR 27 6.976 11.084 7.940
205 H TYR 28 H TYR 28 5.615 9.370 4.088
206 HA TYR 28 HA TYR 28 2.841 9.243 4.791
207 HB2 TYR 28 2HB TYR 28 1.840 9.551 2.685
208 HB3 TYR 28 3HB TYR 28 2.986 10.881 2.819
209 HD1 TYR 28 HD2 TYR 28 5.521 9.479 2.162
210 HD2 TYR 28 HD1 TYR 28 1.667 9.208 0.379
211 HE1 TYR 28 HE2 TYR 28 6.558 8.803 0.037
212 HE2 TYR 28 HE1 TYR 28 2.694 8.530 -1.751
213 HH TYR 28 HH TYR 28 4.757 8.605 -2.906
214 H ARG 29 H ARG 29 1.778 7.366 3.474
215 HA ARG 29 HA ARG 29 3.571 5.339 2.513
216 HB2 ARG 29 2HB ARG 29 2.968 3.668 4.255
217 HB3 ARG 29 3HB ARG 29 3.945 4.995 4.869
218 HG2 ARG 29 2HG ARG 29 1.003 5.266 5.073
219 HG3 ARG 29 3HG ARG 29 1.793 4.098 6.134
220 HD2 ARG 29 2HD ARG 29 3.035 5.728 7.217
221 HD3 ARG 29 3HD ARG 29 2.876 6.873 5.885
222 HE ARG 29 HE ARG 29 0.874 7.580 6.763
223 HH11 ARG 29 1HH1 ARG 29 1.875 4.645 8.345
224 HH12 ARG 29 2HH1 ARG 29 0.660 4.739 9.576
225 HH21 ARG 29 1HH2 ARG 29 -0.731 7.716 8.379
226 HH22 ARG 29 2HH2 ARG 29 -0.822 6.486 9.594
227 H LEU 30 H LEU 30 2.535 3.964 1.177
228 HA LEU 30 HA LEU 30 -0.042 4.483 0.281
229 HB2 LEU 30 2HB LEU 30 1.229 1.774 0.074
230 HB3 LEU 30 3HB LEU 30 0.156 2.575 -1.072
231 HG LEU 30 HG LEU 30 3.069 3.128 -0.560
232 HD11 LEU 30 1HD1 LEU 30 2.276 1.276 -2.121
233 HD12 LEU 30 2HD1 LEU 30 3.402 2.461 -2.780
234 HD13 LEU 30 3HD1 LEU 30 1.684 2.570 -3.164
235 HD21 LEU 30 3HD2 LEU 30 1.896 5.264 -0.719
236 HD22 LEU 30 1HD2 LEU 30 1.136 4.741 -2.222
237 HD23 LEU 30 2HD2 LEU 30 2.883 4.971 -2.152
238 H CYS 31 H CYS 31 -1.665 2.465 0.133
239 HA CYS 31 HA CYS 31 -2.042 1.327 2.807
240 HB2 CYS 31 2HB CYS 31 -3.800 3.277 1.440
241 HB3 CYS 31 3HB CYS 31 -4.612 1.906 2.190
242 H CYS 32 H CYS 32 -1.853 -0.779 2.334
243 HA CYS 32 HA CYS 32 -3.431 -1.835 0.080
244 HB2 CYS 32 2HB CYS 32 -0.702 -2.195 0.745
245 HB3 CYS 32 3HB CYS 32 -1.507 -3.731 1.047
246 H ARG 33 H ARG 33 -3.507 -4.473 0.657
247 HA ARG 33 HA ARG 33 -4.637 -4.719 3.350
248 HB2 ARG 33 2HB ARG 33 -6.369 -4.242 1.449
249 HB3 ARG 33 3HB ARG 33 -6.097 -5.928 1.030
250 HG2 ARG 33 2HG ARG 33 -6.647 -5.405 3.872
251 HG3 ARG 33 3HG ARG 33 -7.978 -5.083 2.759
252 HD2 ARG 33 2HD ARG 33 -8.411 -7.273 2.973
253 HD3 ARG 33 3HD ARG 33 -7.071 -7.481 1.846
254 HE ARG 33 HE ARG 33 -5.852 -8.406 3.539
255 HH11 ARG 33 1HH1 ARG 33 -8.512 -6.629 4.912
256 HH12 ARG 33 2HH1 ARG 33 -8.208 -7.169 6.530
257 HH21 ARG 33 1HH2 ARG 33 -5.441 -9.124 5.665
258 HH22 ARG 33 2HH2 ARG 33 -6.461 -8.587 6.957
259 H ARG 34 H ARG 34 -2.292 -5.719 3.114
260 HA ARG 34 HA ARG 34 -2.493 -8.503 2.211
261 HB2 ARG 34 2HB ARG 34 -0.122 -6.763 2.892
262 HB3 ARG 34 3HB ARG 34 0.010 -8.489 2.581
263 HG2 ARG 34 2HG ARG 34 -1.304 -6.713 0.574
264 HG3 ARG 34 3HG ARG 34 0.456 -6.791 0.674
265 HD2 ARG 34 2HD ARG 34 0.070 -9.366 0.609
266 HD3 ARG 34 3HD ARG 34 -1.500 -8.927 -0.064
267 HE ARG 34 HE ARG 34 0.528 -7.564 -1.457
268 HH11 ARG 34 1HH1 ARG 34 -0.767 -10.767 -1.032
269 HH12 ARG 34 2HH1 ARG 34 -0.293 -11.309 -2.608
270 HH21 ARG 34 1HH2 ARG 34 1.157 -8.265 -3.534
271 HH22 ARG 34 2HH2 ARG 34 0.802 -9.885 -4.030
Start of MODEL 6
1 H1 SER 1 H SER 1 1.999 -2.017 -2.978
2 HA SER 1 HA SER 1 0.211 -0.082 -1.943
3 HB2 SER 1 2HB SER 1 1.004 1.338 -3.804
4 HB3 SER 1 3HB SER 1 2.343 0.553 -2.966
5 HG SER 1 HG SER 1 1.190 -0.169 -5.453
6 H CYS 2 H CYS 2 -1.904 -0.009 -2.259
7 HA CYS 2 HA CYS 2 -2.975 -0.921 -4.849
8 HB2 CYS 2 2HB CYS 2 -4.323 -0.980 -2.140
9 HB3 CYS 2 3HB CYS 2 -5.052 -1.497 -3.657
10 H THR 3 H THR 3 -2.580 1.695 -2.746
11 HA THR 3 HA THR 3 -4.064 3.435 -4.491
12 HB THR 3 HB THR 3 -4.930 3.518 -1.615
13 HG1 THR 3 HG1 THR 3 -6.576 2.125 -2.064
14 HG21 THR 3 3HG2 THR 3 -6.411 4.348 -4.103
15 HG22 THR 3 1HG2 THR 3 -5.309 5.426 -3.247
16 HG23 THR 3 2HG2 THR 3 -6.745 4.804 -2.432
17 H CYS 4 H CYS 4 -2.086 4.469 -4.770
18 HA CYS 4 HA CYS 4 -0.526 5.414 -2.570
19 HB2 CYS 4 2HB CYS 4 -0.002 4.990 -5.203
20 HB3 CYS 4 3HB CYS 4 -0.192 6.740 -5.187
21 H ARG 5 H ARG 5 -1.622 6.776 -1.239
22 HA ARG 5 HA ARG 5 -2.576 9.292 -2.438
23 HB2 ARG 5 2HB ARG 5 -3.758 8.083 0.056
24 HB3 ARG 5 3HB ARG 5 -4.401 9.389 -0.931
25 HG2 ARG 5 2HG ARG 5 -4.863 7.827 -2.734
26 HG3 ARG 5 3HG ARG 5 -4.171 6.511 -1.784
27 HD2 ARG 5 2HD ARG 5 -6.692 6.689 -1.770
28 HD3 ARG 5 3HD ARG 5 -5.910 6.614 -0.192
29 HE ARG 5 HE ARG 5 -6.759 8.679 0.258
30 HH11 ARG 5 1HH1 ARG 5 -6.715 8.229 -3.194
31 HH12 ARG 5 2HH1 ARG 5 -7.529 9.721 -3.530
32 HH21 ARG 5 1HH2 ARG 5 -7.832 10.645 -0.171
33 HH22 ARG 5 2HH2 ARG 5 -8.163 11.095 -1.810
34 H ARG 6 H ARG 6 -2.903 10.940 -0.475
35 HA ARG 6 HA ARG 6 -0.428 10.853 1.123
36 HB2 ARG 6 2HB ARG 6 -1.387 13.542 0.680
37 HB3 ARG 6 3HB ARG 6 0.193 12.851 0.337
38 HG2 ARG 6 2HG ARG 6 -0.806 11.904 -1.773
39 HG3 ARG 6 3HG ARG 6 -2.225 12.901 -1.444
40 HD2 ARG 6 2HD ARG 6 0.589 13.951 -1.712
41 HD3 ARG 6 3HD ARG 6 -0.607 13.950 -3.008
42 HE ARG 6 HE ARG 6 -1.703 15.235 -0.771
43 HH11 ARG 6 1HH1 ARG 6 0.784 15.699 -3.162
44 HH12 ARG 6 2HH1 ARG 6 0.699 17.428 -3.106
45 HH21 ARG 6 1HH2 ARG 6 -1.825 17.511 -0.687
46 HH22 ARG 6 2HH2 ARG 6 -0.786 18.458 -1.697
47 H ALA 7 H ALA 7 -1.252 10.192 3.052
48 HA ALA 7 HA ALA 7 -2.488 12.067 4.730
49 HB1 ALA 7 1HB ALA 7 -4.609 11.871 4.020
50 HB2 ALA 7 2HB ALA 7 -4.311 10.322 3.229
51 HB3 ALA 7 3HB ALA 7 -4.598 10.383 4.968
52 H TRP 8 H TRP 8 -2.650 11.350 6.886
53 HA TRP 8 HA TRP 8 -0.779 9.514 7.739
54 HB2 TRP 8 2HB TRP 8 -3.011 10.973 8.968
55 HB3 TRP 8 3HB TRP 8 -2.602 9.471 9.791
56 HD1 TRP 8 HD1 TRP 8 -0.522 12.441 8.368
57 HE1 TRP 8 HE1 TRP 8 1.265 13.051 10.117
58 HE3 TRP 8 HE3 TRP 8 -1.653 8.957 11.934
59 HZ2 TRP 8 HZ2 TRP 8 2.088 12.172 12.670
60 HZ3 TRP 8 HZ3 TRP 8 -0.317 8.908 14.000
61 HH2 TRP 8 HH2 TRP 8 1.514 10.482 14.358
62 H ILE 9 H ILE 9 -4.312 8.997 7.829
63 HA ILE 9 HA ILE 9 -3.869 6.121 7.995
64 HB ILE 9 HB ILE 9 -6.264 5.938 8.399
65 HG12 ILE 9 2HG1 ILE 9 -6.245 8.893 7.793
66 HG13 ILE 9 3HG1 ILE 9 -7.191 7.632 7.011
67 HG21 ILE 9 1HG2 ILE 9 -6.330 6.944 10.545
68 HG22 ILE 9 2HG2 ILE 9 -4.645 6.534 10.231
69 HG23 ILE 9 3HG2 ILE 9 -5.192 8.202 10.065
70 HD11 ILE 9 3HD1 ILE 9 -8.209 7.335 9.397
71 HD12 ILE 9 1HD1 ILE 9 -7.623 8.982 9.624
72 HD13 ILE 9 2HD1 ILE 9 -8.769 8.624 8.332
73 H CYS 10 H CYS 10 -5.905 4.970 6.750
74 HA CYS 10 HA CYS 10 -5.526 5.718 3.928
75 HB2 CYS 10 2HB CYS 10 -6.357 3.004 4.955
76 HB3 CYS 10 3HB CYS 10 -5.784 3.419 3.343
77 H ARG 11 H ARG 11 -7.510 4.253 2.755
78 HA ARG 11 HA ARG 11 -9.904 5.676 3.675
79 HB2 ARG 11 2HB ARG 11 -9.634 4.267 1.033
80 HB3 ARG 11 3HB ARG 11 -10.718 5.581 1.471
81 HG2 ARG 11 2HG ARG 11 -8.358 6.799 1.852
82 HG3 ARG 11 3HG ARG 11 -7.909 5.653 0.588
83 HD2 ARG 11 2HD ARG 11 -8.737 7.119 -0.871
84 HD3 ARG 11 3HD ARG 11 -10.333 6.673 -0.269
85 HE ARG 11 HE ARG 11 -9.018 8.735 1.257
86 HH11 ARG 11 1HH1 ARG 11 -11.102 8.025 -1.440
87 HH12 ARG 11 2HH1 ARG 11 -11.842 9.591 -1.449
88 HH21 ARG 11 1HH2 ARG 11 -9.985 10.801 1.255
89 HH22 ARG 11 2HH2 ARG 11 -11.205 11.170 0.084
90 H TRP 12 H TRP 12 -8.556 2.527 3.285
91 HA TRP 12 HA TRP 12 -11.055 1.363 4.294
92 HB2 TRP 12 2HB TRP 12 -10.168 0.977 1.696
93 HB3 TRP 12 3HB TRP 12 -9.592 -0.456 2.543
94 HD1 TRP 12 HD1 TRP 12 -12.179 -0.607 4.550
95 HE1 TRP 12 HE1 TRP 12 -14.382 -1.525 3.586
96 HE3 TRP 12 HE3 TRP 12 -11.253 0.121 -0.425
97 HZ2 TRP 12 HZ2 TRP 12 -15.570 -1.892 1.052
98 HZ3 TRP 12 HZ3 TRP 12 -12.974 -0.541 -2.054
99 HH2 TRP 12 HH2 TRP 12 -15.087 -1.527 -1.329
100 H GLY 13 H GLY 13 -10.170 -1.289 4.402
101 HA2 GLY 13 2HA GLY 13 -8.598 -1.198 6.789
102 HA3 GLY 13 3HA GLY 13 -9.164 -2.647 5.970
103 H GLU 14 H GLU 14 -7.550 -0.672 3.807
104 HA GLU 14 HA GLU 14 -5.539 -2.435 3.191
105 HB2 GLU 14 2HB GLU 14 -5.273 0.565 2.972
106 HB3 GLU 14 3HB GLU 14 -4.463 -0.648 1.991
107 HG2 GLU 14 2HG GLU 14 -7.207 -1.147 1.726
108 HG3 GLU 14 3HG GLU 14 -7.009 0.600 1.604
109 H ARG 15 H ARG 15 -3.140 -2.060 3.409
110 HA ARG 15 HA ARG 15 -2.466 -1.111 6.114
111 HB2 ARG 15 2HB ARG 15 -1.088 -2.979 6.518
112 HB3 ARG 15 3HB ARG 15 -2.567 -3.644 5.839
113 HG2 ARG 15 2HG ARG 15 -1.042 -3.253 3.608
114 HG3 ARG 15 3HG ARG 15 0.163 -3.705 4.815
115 HD2 ARG 15 2HD ARG 15 -1.989 -5.452 5.201
116 HD3 ARG 15 3HD ARG 15 -1.775 -5.343 3.454
117 HE ARG 15 HE ARG 15 0.741 -5.733 4.335
118 HH11 ARG 15 1HH1 ARG 15 -2.263 -7.379 4.959
119 HH12 ARG 15 2HH1 ARG 15 -1.515 -8.920 5.217
120 HH21 ARG 15 1HH2 ARG 15 1.737 -7.757 4.671
121 HH22 ARG 15 2HH2 ARG 15 0.760 -9.134 5.053
122 H HIS 16 H HIS 16 -0.086 -0.711 6.375
123 HA HIS 16 HA HIS 16 0.813 0.965 4.221
124 HB2 HIS 16 2HB HIS 16 1.180 1.743 6.464
125 HB3 HIS 16 3HB HIS 16 2.025 0.260 6.899
126 HD1 HIS 16 HD1 HIS 16 4.480 0.480 6.904
127 HD2 HIS 16 HD2 HIS 16 2.702 3.165 4.279
128 HE1 HIS 16 HE1 HIS 16 6.367 1.849 5.961
129 H SER 17 H SER 17 2.581 0.693 2.901
130 HA SER 17 HA SER 17 4.323 -1.584 3.169
131 HB2 SER 17 2HB SER 17 2.104 -2.322 1.984
132 HB3 SER 17 3HB SER 17 2.796 -1.493 0.589
133 HG SER 17 HG SER 17 3.946 -3.637 2.050
134 H GLY 18 H GLY 18 5.009 1.025 3.257
135 HA2 GLY 18 2HA GLY 18 6.573 2.463 2.379
136 HA3 GLY 18 3HA GLY 18 6.922 1.234 1.173
137 H LYS 19 H LYS 19 6.394 4.286 1.216
138 HA LYS 19 HA LYS 19 4.079 4.735 -0.348
139 HB2 LYS 19 2HB LYS 19 4.935 6.958 -0.689
140 HB3 LYS 19 3HB LYS 19 5.265 6.484 0.973
141 HG2 LYS 19 2HG LYS 19 7.496 5.727 -0.598
142 HG3 LYS 19 3HG LYS 19 7.077 7.391 -1.010
143 HD2 LYS 19 2HD LYS 19 7.195 8.044 1.308
144 HD3 LYS 19 3HD LYS 19 7.450 6.369 1.804
145 HE2 LYS 19 2HE LYS 19 9.635 6.420 1.279
146 HE3 LYS 19 3HE LYS 19 9.361 7.355 -0.190
147 HZ1 LYS 19 3HZ LYS 19 9.349 9.353 1.012
148 HZ2 LYS 19 1HZ LYS 19 10.658 8.480 1.636
149 HZ3 LYS 19 2HZ LYS 19 9.209 8.569 2.505
150 H CYS 20 H CYS 20 4.613 6.094 -2.542
151 HA CYS 20 HA CYS 20 6.325 4.373 -4.207
152 HB2 CYS 20 2HB CYS 20 4.686 4.256 -5.925
153 HB3 CYS 20 3HB CYS 20 3.850 3.860 -4.427
154 H ILE 21 H ILE 21 7.043 5.372 -6.209
155 HA ILE 21 HA ILE 21 7.606 8.200 -5.810
156 HB ILE 21 HB ILE 21 9.180 7.940 -7.696
157 HG12 ILE 21 2HG1 ILE 21 9.131 5.030 -7.737
158 HG13 ILE 21 3HG1 ILE 21 7.619 5.719 -8.316
159 HG21 ILE 21 1HG2 ILE 21 10.519 5.987 -6.456
160 HG22 ILE 21 2HG2 ILE 21 10.365 7.613 -5.794
161 HG23 ILE 21 3HG2 ILE 21 9.305 6.325 -5.223
162 HD11 ILE 21 3HD1 ILE 21 8.886 7.076 -9.926
163 HD12 ILE 21 1HD1 ILE 21 10.372 6.304 -9.375
164 HD13 ILE 21 2HD1 ILE 21 9.118 5.344 -10.159
165 H ASP 22 H ASP 22 4.984 7.944 -6.364
166 HA ASP 22 HA ASP 22 4.697 8.565 -9.223
167 HB2 ASP 22 2HB ASP 22 3.272 6.752 -8.100
168 HB3 ASP 22 3HB ASP 22 2.433 8.075 -7.296
169 H GLN 23 H GLN 23 4.401 9.867 -6.021
170 HA GLN 23 HA GLN 23 3.483 12.420 -7.172
171 HB2 GLN 23 2HB GLN 23 3.082 11.573 -4.307
172 HB3 GLN 23 3HB GLN 23 2.333 12.923 -5.149
173 HG2 GLN 23 2HG GLN 23 1.286 11.144 -6.665
174 HG3 GLN 23 3HG GLN 23 1.759 9.998 -5.412
175 HE21 GLN 23 1HE2 GLN 23 0.235 9.566 -4.003
176 HE22 GLN 23 2HE2 GLN 23 -1.038 10.626 -3.512
177 H LYS 24 H LYS 24 5.024 11.350 -4.139
178 HA LYS 24 HA LYS 24 7.520 12.515 -4.603
179 HB2 LYS 24 2HB LYS 24 5.670 14.497 -4.265
180 HB3 LYS 24 3HB LYS 24 6.245 14.275 -2.618
181 HG2 LYS 24 2HG LYS 24 8.458 14.353 -4.450
182 HG3 LYS 24 3HG LYS 24 7.432 15.776 -4.649
183 HD2 LYS 24 2HD LYS 24 7.543 16.115 -2.181
184 HD3 LYS 24 3HD LYS 24 8.707 14.790 -2.098
185 HE2 LYS 24 2HE LYS 24 10.086 16.100 -3.783
186 HE3 LYS 24 3HE LYS 24 9.010 17.458 -3.455
187 HZ1 LYS 24 3HZ LYS 24 11.257 16.906 -2.079
188 HZ2 LYS 24 1HZ LYS 24 10.077 16.203 -1.090
189 HZ3 LYS 24 2HZ LYS 24 9.975 17.842 -1.493
190 H GLY 25 H GLY 25 5.035 11.800 -2.198
191 HA2 GLY 25 2HA GLY 25 5.155 10.811 -0.128
192 HA3 GLY 25 3HA GLY 25 6.474 9.882 -0.824
193 H SER 26 H SER 26 5.739 12.989 0.723
194 HA SER 26 HA SER 26 8.482 12.995 1.801
195 HB2 SER 26 2HB SER 26 8.470 14.973 0.636
196 HB3 SER 26 3HB SER 26 6.725 15.177 0.789
197 HG SER 26 HG SER 26 7.099 16.408 2.435
198 H THR 27 H THR 27 5.123 12.989 2.524
199 HA THR 27 HA THR 27 5.677 12.658 5.336
200 HB THR 27 HB THR 27 5.546 15.107 5.183
201 HG1 THR 27 HG1 THR 27 4.617 14.931 7.068
202 HG21 THR 27 3HG2 THR 27 3.702 16.273 4.350
203 HG22 THR 27 1HG2 THR 27 2.662 14.849 4.390
204 HG23 THR 27 2HG2 THR 27 3.932 14.980 3.173
205 H TYR 28 H TYR 28 4.605 10.958 3.353
206 HA TYR 28 HA TYR 28 2.219 10.112 4.669
207 HB2 TYR 28 2HB TYR 28 0.817 10.203 2.541
208 HB3 TYR 28 3HB TYR 28 1.071 11.730 3.380
209 HD1 TYR 28 HD2 TYR 28 2.830 13.316 2.490
210 HD2 TYR 28 HD1 TYR 28 1.480 9.929 0.299
211 HE1 TYR 28 HE2 TYR 28 3.711 14.312 0.421
212 HE2 TYR 28 HE1 TYR 28 2.358 10.914 -1.777
213 HH TYR 28 HH TYR 28 3.741 14.163 -1.826
214 H ARG 29 H ARG 29 1.479 8.045 3.936
215 HA ARG 29 HA ARG 29 3.302 6.675 2.079
216 HB2 ARG 29 2HB ARG 29 2.257 5.344 4.568
217 HB3 ARG 29 3HB ARG 29 3.568 4.824 3.517
218 HG2 ARG 29 2HG ARG 29 4.889 5.684 5.099
219 HG3 ARG 29 3HG ARG 29 4.488 7.236 4.360
220 HD2 ARG 29 2HD ARG 29 2.414 6.496 6.180
221 HD3 ARG 29 3HD ARG 29 3.971 6.368 6.997
222 HE ARG 29 HE ARG 29 2.630 8.758 6.283
223 HH11 ARG 29 1HH1 ARG 29 5.803 7.343 6.493
224 HH12 ARG 29 2HH1 ARG 29 6.605 8.858 6.742
225 HH21 ARG 29 1HH2 ARG 29 3.674 10.759 6.610
226 HH22 ARG 29 2HH2 ARG 29 5.393 10.801 6.809
227 H LEU 30 H LEU 30 2.385 5.148 0.763
228 HA LEU 30 HA LEU 30 -0.395 5.336 0.273
229 HB2 LEU 30 2HB LEU 30 -0.013 3.537 -1.361
230 HB3 LEU 30 3HB LEU 30 1.134 4.866 -1.520
231 HG LEU 30 HG LEU 30 2.685 3.341 -0.087
232 HD11 LEU 30 1HD1 LEU 30 0.452 1.549 -0.812
233 HD12 LEU 30 2HD1 LEU 30 1.555 1.495 0.563
234 HD13 LEU 30 3HD1 LEU 30 2.082 0.905 -1.013
235 HD21 LEU 30 3HD2 LEU 30 3.459 2.220 -2.177
236 HD22 LEU 30 1HD2 LEU 30 3.229 3.962 -2.331
237 HD23 LEU 30 2HD2 LEU 30 2.025 2.852 -2.987
238 H CYS 31 H CYS 31 -1.505 2.997 -0.157
239 HA CYS 31 HA CYS 31 -1.138 1.270 2.164
240 HB2 CYS 31 2HB CYS 31 -3.807 2.540 1.514
241 HB3 CYS 31 3HB CYS 31 -3.498 1.368 2.790
242 H CYS 32 H CYS 32 -1.962 -0.818 1.902
243 HA CYS 32 HA CYS 32 -3.327 -1.483 -0.581
244 HB2 CYS 32 2HB CYS 32 -0.758 -1.548 -0.892
245 HB3 CYS 32 3HB CYS 32 -0.820 -2.995 0.109
246 H ARG 33 H ARG 33 -4.665 -3.198 -0.378
247 HA ARG 33 HA ARG 33 -4.828 -4.434 2.263
248 HB2 ARG 33 2HB ARG 33 -6.802 -3.380 0.910
249 HB3 ARG 33 3HB ARG 33 -6.799 -4.919 0.058
250 HG2 ARG 33 2HG ARG 33 -6.854 -4.927 3.033
251 HG3 ARG 33 3HG ARG 33 -8.328 -4.533 2.147
252 HD2 ARG 33 2HD ARG 33 -8.030 -6.649 0.859
253 HD3 ARG 33 3HD ARG 33 -6.682 -7.048 1.923
254 HE ARG 33 HE ARG 33 -8.897 -6.500 3.523
255 HH11 ARG 33 1HH1 ARG 33 -7.876 -8.851 1.168
256 HH12 ARG 33 2HH1 ARG 33 -8.824 -10.133 1.845
257 HH21 ARG 33 1HH2 ARG 33 -10.150 -8.180 4.424
258 HH22 ARG 33 2HH2 ARG 33 -10.118 -9.750 3.696
259 H ARG 34 H ARG 34 -3.059 -5.868 2.085
260 HA ARG 34 HA ARG 34 -1.978 -7.805 1.563
261 HB2 ARG 34 2HB ARG 34 -4.715 -8.847 0.836
262 HB3 ARG 34 3HB ARG 34 -3.337 -9.765 1.426
263 HG2 ARG 34 2HG ARG 34 -3.579 -8.214 3.518
264 HG3 ARG 34 3HG ARG 34 -5.225 -8.012 2.915
265 HD2 ARG 34 2HD ARG 34 -5.688 -9.883 4.048
266 HD3 ARG 34 3HD ARG 34 -4.854 -10.722 2.741
267 HE ARG 34 HE ARG 34 -2.866 -10.037 4.472
268 HH11 ARG 34 1HH1 ARG 34 -5.861 -11.789 4.753
269 HH12 ARG 34 2HH1 ARG 34 -5.292 -12.814 6.028
270 HH21 ARG 34 1HH2 ARG 34 -2.106 -11.381 6.151
271 HH22 ARG 34 2HH2 ARG 34 -3.156 -12.581 6.823
Start of MODEL 7
1 H1 SER 1 H SER 1 1.994 -2.831 -2.000
2 HA SER 1 HA SER 1 0.689 -0.425 -1.010
3 HB2 SER 1 2HB SER 1 1.805 0.883 -2.932
4 HB3 SER 1 3HB SER 1 2.770 0.570 -1.490
5 HG SER 1 HG SER 1 4.108 -0.482 -2.703
6 H CYS 2 H CYS 2 -1.275 -0.423 -1.853
7 HA CYS 2 HA CYS 2 -1.628 -1.251 -4.649
8 HB2 CYS 2 2HB CYS 2 -3.449 -2.068 -2.375
9 HB3 CYS 2 3HB CYS 2 -3.663 -2.472 -4.076
10 H THR 3 H THR 3 -1.537 1.343 -3.132
11 HA THR 3 HA THR 3 -3.764 2.574 -4.464
12 HB THR 3 HB THR 3 -3.671 2.924 -1.470
13 HG1 THR 3 HG1 THR 3 -5.641 1.408 -2.823
14 HG21 THR 3 3HG2 THR 3 -6.083 3.408 -3.134
15 HG22 THR 3 1HG2 THR 3 -4.757 4.563 -3.264
16 HG23 THR 3 2HG2 THR 3 -5.510 4.258 -1.699
17 H CYS 4 H CYS 4 -1.718 3.417 -5.400
18 HA CYS 4 HA CYS 4 0.121 4.984 -4.025
19 HB2 CYS 4 2HB CYS 4 0.198 4.189 -6.454
20 HB3 CYS 4 3HB CYS 4 -0.805 5.586 -6.830
21 H ARG 5 H ARG 5 -0.652 6.425 -2.561
22 HA ARG 5 HA ARG 5 -1.777 8.870 -3.593
23 HB2 ARG 5 2HB ARG 5 -3.828 8.873 -2.502
24 HB3 ARG 5 3HB ARG 5 -3.708 7.213 -3.071
25 HG2 ARG 5 2HG ARG 5 -2.764 6.661 -0.775
26 HG3 ARG 5 3HG ARG 5 -3.327 8.261 -0.288
27 HD2 ARG 5 2HD ARG 5 -5.113 6.213 -1.581
28 HD3 ARG 5 3HD ARG 5 -4.904 6.337 0.165
29 HE ARG 5 HE ARG 5 -5.644 8.818 -1.073
30 HH11 ARG 5 1HH1 ARG 5 -6.830 5.824 0.249
31 HH12 ARG 5 2HH1 ARG 5 -8.399 6.458 0.621
32 HH21 ARG 5 1HH2 ARG 5 -7.706 9.665 -0.588
33 HH22 ARG 5 2HH2 ARG 5 -8.896 8.643 0.143
34 H ARG 6 H ARG 6 -2.409 10.257 -1.445
35 HA ARG 6 HA ARG 6 -0.349 9.832 0.590
36 HB2 ARG 6 2HB ARG 6 -0.407 12.614 0.104
37 HB3 ARG 6 3HB ARG 6 0.931 11.501 -0.147
38 HG2 ARG 6 2HG ARG 6 0.080 11.041 -2.417
39 HG3 ARG 6 3HG ARG 6 -1.184 12.244 -2.155
40 HD2 ARG 6 2HD ARG 6 1.792 12.732 -2.133
41 HD3 ARG 6 3HD ARG 6 0.663 13.211 -3.399
42 HE ARG 6 HE ARG 6 -0.037 14.278 -0.840
43 HH11 ARG 6 1HH1 ARG 6 2.006 14.722 -3.623
44 HH12 ARG 6 2HH1 ARG 6 2.172 16.431 -3.391
45 HH21 ARG 6 1HH2 ARG 6 0.174 16.527 -0.524
46 HH22 ARG 6 2HH2 ARG 6 1.130 17.457 -1.627
47 H ALA 7 H ALA 7 -1.215 10.013 2.542
48 HA ALA 7 HA ALA 7 -2.838 12.123 3.408
49 HB1 ALA 7 1HB ALA 7 -4.323 10.427 1.871
50 HB2 ALA 7 2HB ALA 7 -4.619 9.805 3.495
51 HB3 ALA 7 3HB ALA 7 -4.967 11.493 3.120
52 H TRP 8 H TRP 8 -3.254 12.042 5.627
53 HA TRP 8 HA TRP 8 -1.476 10.658 7.218
54 HB2 TRP 8 2HB TRP 8 -4.064 12.056 7.760
55 HB3 TRP 8 3HB TRP 8 -3.314 11.124 9.053
56 HD1 TRP 8 HD1 TRP 8 -0.667 11.891 9.623
57 HE1 TRP 8 HE1 TRP 8 0.307 14.272 9.703
58 HE3 TRP 8 HE3 TRP 8 -4.221 14.315 6.862
59 HZ2 TRP 8 HZ2 TRP 8 -0.345 16.838 8.726
60 HZ3 TRP 8 HZ3 TRP 8 -3.973 16.734 6.482
61 HH2 TRP 8 HH2 TRP 8 -2.074 17.967 7.396
62 H ILE 9 H ILE 9 -4.586 9.651 6.012
63 HA ILE 9 HA ILE 9 -4.303 7.114 7.486
64 HB ILE 9 HB ILE 9 -6.937 7.733 6.317
65 HG12 ILE 9 2HG1 ILE 9 -6.257 9.949 7.179
66 HG13 ILE 9 3HG1 ILE 9 -7.590 9.261 8.101
67 HG21 ILE 9 1HG2 ILE 9 -7.095 7.081 9.041
68 HG22 ILE 9 2HG2 ILE 9 -7.395 6.028 7.660
69 HG23 ILE 9 3HG2 ILE 9 -5.785 6.106 8.376
70 HD11 ILE 9 3HD1 ILE 9 -6.432 9.529 9.958
71 HD12 ILE 9 1HD1 ILE 9 -5.175 8.458 9.338
72 HD13 ILE 9 2HD1 ILE 9 -5.087 10.193 9.031
73 H CYS 10 H CYS 10 -6.037 5.533 6.133
74 HA CYS 10 HA CYS 10 -5.184 5.594 3.325
75 HB2 CYS 10 2HB CYS 10 -5.113 3.098 5.030
76 HB3 CYS 10 3HB CYS 10 -4.594 3.253 3.354
77 H ARG 11 H ARG 11 -6.325 3.286 2.438
78 HA ARG 11 HA ARG 11 -8.973 3.961 2.018
79 HB2 ARG 11 2HB ARG 11 -7.643 1.252 1.887
80 HB3 ARG 11 3HB ARG 11 -9.263 1.579 1.286
81 HG2 ARG 11 2HG ARG 11 -7.406 3.485 0.211
82 HG3 ARG 11 3HG ARG 11 -6.845 1.839 -0.088
83 HD2 ARG 11 2HD ARG 11 -8.190 2.125 -1.911
84 HD3 ARG 11 3HD ARG 11 -9.368 1.477 -0.770
85 HE ARG 11 HE ARG 11 -9.490 4.187 -0.433
86 HH11 ARG 11 1HH1 ARG 11 -9.859 2.008 -3.123
87 HH12 ARG 11 2HH1 ARG 11 -10.983 3.026 -3.961
88 HH21 ARG 11 1HH2 ARG 11 -10.968 5.536 -1.527
89 HH22 ARG 11 2HH2 ARG 11 -11.612 5.033 -3.054
90 H TRP 12 H TRP 12 -8.176 0.964 3.739
91 HA TRP 12 HA TRP 12 -9.408 1.551 6.170
92 HB2 TRP 12 2HB TRP 12 -11.266 0.984 4.018
93 HB3 TRP 12 3HB TRP 12 -11.413 -0.202 5.313
94 HD1 TRP 12 HD1 TRP 12 -11.041 1.568 7.848
95 HE1 TRP 12 HE1 TRP 12 -12.786 3.352 8.478
96 HE3 TRP 12 HE3 TRP 12 -13.212 2.232 3.268
97 HZ2 TRP 12 HZ2 TRP 12 -14.815 4.842 7.202
98 HZ3 TRP 12 HZ3 TRP 12 -15.049 3.855 3.058
99 HH2 TRP 12 HH2 TRP 12 -15.833 5.132 4.985
100 H GLY 13 H GLY 13 -8.617 0.092 7.537
101 HA2 GLY 13 2HA GLY 13 -7.578 -1.809 8.305
102 HA3 GLY 13 3HA GLY 13 -8.807 -2.654 7.375
103 H GLU 14 H GLU 14 -6.294 -0.572 6.047
104 HA GLU 14 HA GLU 14 -5.361 -2.823 4.438
105 HB2 GLU 14 2HB GLU 14 -4.013 -0.950 3.298
106 HB3 GLU 14 3HB GLU 14 -5.757 -0.965 3.076
107 HG2 GLU 14 2HG GLU 14 -4.876 1.283 3.489
108 HG3 GLU 14 3HG GLU 14 -6.030 0.772 4.720
109 H ARG 15 H ARG 15 -2.858 -2.550 3.911
110 HA ARG 15 HA ARG 15 -1.480 -2.467 6.515
111 HB2 ARG 15 2HB ARG 15 0.168 -4.046 5.353
112 HB3 ARG 15 3HB ARG 15 -1.400 -4.704 5.802
113 HG2 ARG 15 2HG ARG 15 -2.020 -5.043 3.667
114 HG3 ARG 15 3HG ARG 15 -1.229 -3.574 3.092
115 HD2 ARG 15 2HD ARG 15 -0.149 -5.545 2.168
116 HD3 ARG 15 3HD ARG 15 0.946 -4.688 3.252
117 HE ARG 15 HE ARG 15 -0.162 -6.536 4.870
118 HH11 ARG 15 1HH1 ARG 15 1.351 -6.736 1.740
119 HH12 ARG 15 2HH1 ARG 15 1.949 -8.343 1.988
120 HH21 ARG 15 1HH2 ARG 15 0.620 -8.652 5.207
121 HH22 ARG 15 2HH2 ARG 15 1.532 -9.433 3.959
122 H HIS 16 H HIS 16 1.080 -2.405 5.921
123 HA HIS 16 HA HIS 16 1.401 0.027 4.290
124 HB2 HIS 16 2HB HIS 16 1.936 0.548 6.548
125 HB3 HIS 16 3HB HIS 16 2.872 -0.931 6.743
126 HD1 HIS 16 HD1 HIS 16 5.279 -0.430 6.841
127 HD2 HIS 16 HD2 HIS 16 3.283 2.149 4.267
128 HE1 HIS 16 HE1 HIS 16 7.048 1.101 5.919
129 H SER 17 H SER 17 3.161 0.203 2.893
130 HA SER 17 HA SER 17 5.107 -1.873 2.619
131 HB2 SER 17 2HB SER 17 2.647 -1.966 0.997
132 HB3 SER 17 3HB SER 17 4.145 -2.104 0.076
133 HG SER 17 HG SER 17 3.128 -4.099 1.013
134 H GLY 18 H GLY 18 6.372 0.066 2.853
135 HA2 GLY 18 2HA GLY 18 7.616 1.827 2.060
136 HA3 GLY 18 3HA GLY 18 7.473 1.027 0.502
137 H LYS 19 H LYS 19 7.586 3.352 -0.177
138 HA LYS 19 HA LYS 19 4.859 4.455 -0.291
139 HB2 LYS 19 2HB LYS 19 5.766 6.712 -0.210
140 HB3 LYS 19 3HB LYS 19 6.250 5.812 1.222
141 HG2 LYS 19 2HG LYS 19 8.365 6.297 0.807
142 HG3 LYS 19 3HG LYS 19 8.260 5.445 -0.735
143 HD2 LYS 19 2HD LYS 19 8.086 7.356 -1.922
144 HD3 LYS 19 3HD LYS 19 7.076 8.140 -0.705
145 HE2 LYS 19 2HE LYS 19 8.881 8.929 0.478
146 HE3 LYS 19 3HE LYS 19 9.949 7.646 -0.089
147 HZ1 LYS 19 3HZ LYS 19 9.264 10.187 -1.352
148 HZ2 LYS 19 1HZ LYS 19 9.505 8.860 -2.374
149 HZ3 LYS 19 2HZ LYS 19 10.736 9.354 -1.326
150 H CYS 20 H CYS 20 4.479 5.859 -2.178
151 HA CYS 20 HA CYS 20 5.438 4.612 -4.561
152 HB2 CYS 20 2HB CYS 20 3.317 6.419 -3.819
153 HB3 CYS 20 3HB CYS 20 4.144 7.016 -5.254
154 H ILE 21 H ILE 21 6.771 5.422 -6.154
155 HA ILE 21 HA ILE 21 8.852 7.163 -5.300
156 HB ILE 21 HB ILE 21 9.196 5.311 -6.917
157 HG12 ILE 21 2HG1 ILE 21 9.941 7.909 -8.241
158 HG13 ILE 21 3HG1 ILE 21 10.657 7.432 -6.705
159 HG21 ILE 21 1HG2 ILE 21 6.998 6.132 -8.169
160 HG22 ILE 21 2HG2 ILE 21 8.192 6.984 -9.146
161 HG23 ILE 21 3HG2 ILE 21 8.270 5.229 -8.991
162 HD11 ILE 21 3HD1 ILE 21 12.211 6.463 -7.974
163 HD12 ILE 21 1HD1 ILE 21 11.013 5.189 -8.200
164 HD13 ILE 21 2HD1 ILE 21 11.182 6.465 -9.406
165 H ASP 22 H ASP 22 5.853 7.640 -6.930
166 HA ASP 22 HA ASP 22 6.610 10.245 -7.976
167 HB2 ASP 22 2HB ASP 22 4.756 8.339 -8.759
168 HB3 ASP 22 3HB ASP 22 3.764 9.604 -8.041
169 H GLN 23 H GLN 23 4.382 11.758 -7.621
170 HA GLN 23 HA GLN 23 3.558 13.315 -6.174
171 HB2 GLN 23 2HB GLN 23 3.232 11.050 -4.218
172 HB3 GLN 23 3HB GLN 23 2.217 12.473 -4.418
173 HG2 GLN 23 2HG GLN 23 1.457 11.634 -6.578
174 HG3 GLN 23 3HG GLN 23 2.480 10.211 -6.386
175 HE21 GLN 23 1HE2 GLN 23 2.098 9.170 -4.100
176 HE22 GLN 23 2HE2 GLN 23 0.438 8.868 -3.731
177 H LYS 24 H LYS 24 3.588 13.656 -3.471
178 HA LYS 24 HA LYS 24 6.413 13.528 -2.683
179 HB2 LYS 24 2HB LYS 24 4.660 15.987 -2.686
180 HB3 LYS 24 3HB LYS 24 6.169 15.879 -1.788
181 HG2 LYS 24 2HG LYS 24 7.460 15.940 -3.675
182 HG3 LYS 24 3HG LYS 24 6.194 15.254 -4.697
183 HD2 LYS 24 2HD LYS 24 5.950 17.369 -5.421
184 HD3 LYS 24 3HD LYS 24 5.041 17.590 -3.924
185 HE2 LYS 24 2HE LYS 24 7.067 18.373 -2.807
186 HE3 LYS 24 3HE LYS 24 7.988 18.130 -4.291
187 HZ1 LYS 24 3HZ LYS 24 7.056 19.942 -5.278
188 HZ2 LYS 24 1HZ LYS 24 7.019 20.464 -3.669
189 HZ3 LYS 24 2HZ LYS 24 5.618 19.850 -4.391
190 H GLY 25 H GLY 25 3.546 15.094 -1.272
191 HA2 GLY 25 2HA GLY 25 2.493 14.788 0.745
192 HA3 GLY 25 3HA GLY 25 2.982 13.104 0.632
193 H SER 26 H SER 26 2.849 14.382 3.069
194 HA SER 26 HA SER 26 5.664 14.890 3.758
195 HB2 SER 26 2HB SER 26 4.204 16.735 4.359
196 HB3 SER 26 3HB SER 26 3.123 15.641 5.224
197 HG SER 26 HG SER 26 4.376 15.811 6.890
198 H THR 27 H THR 27 6.525 12.936 4.205
199 HA THR 27 HA THR 27 6.975 11.004 5.322
200 HB THR 27 HB THR 27 5.058 11.449 7.515
201 HG1 THR 27 HG1 THR 27 5.462 13.562 7.431
202 HG21 THR 27 3HG2 THR 27 8.015 11.387 7.843
203 HG22 THR 27 1HG2 THR 27 7.215 9.926 7.265
204 HG23 THR 27 2HG2 THR 27 6.755 10.629 8.816
205 H TYR 28 H TYR 28 4.471 11.375 3.593
206 HA TYR 28 HA TYR 28 2.459 9.653 4.555
207 HB2 TYR 28 2HB TYR 28 1.489 9.818 2.429
208 HB3 TYR 28 3HB TYR 28 2.375 11.330 2.595
209 HD1 TYR 28 HD2 TYR 28 5.126 10.496 1.986
210 HD2 TYR 28 HD1 TYR 28 1.459 9.369 0.146
211 HE1 TYR 28 HE2 TYR 28 6.327 10.026 -0.107
212 HE2 TYR 28 HE1 TYR 28 2.651 8.894 -1.952
213 HH TYR 28 HH TYR 28 4.597 9.044 -3.039
214 H ARG 29 H ARG 29 1.908 7.518 3.805
215 HA ARG 29 HA ARG 29 4.105 5.937 2.699
216 HB2 ARG 29 2HB ARG 29 3.651 4.171 4.456
217 HB3 ARG 29 3HB ARG 29 4.478 5.616 5.019
218 HG2 ARG 29 2HG ARG 29 1.523 5.565 5.228
219 HG3 ARG 29 3HG ARG 29 2.445 4.540 6.330
220 HD2 ARG 29 2HD ARG 29 3.451 6.333 7.370
221 HD3 ARG 29 3HD ARG 29 3.250 7.389 5.972
222 HE ARG 29 HE ARG 29 1.220 8.025 6.801
223 HH11 ARG 29 1HH1 ARG 29 2.190 5.062 8.350
224 HH12 ARG 29 2HH1 ARG 29 0.875 5.068 9.478
225 HH21 ARG 29 1HH2 ARG 29 -0.516 8.045 8.281
226 HH22 ARG 29 2HH2 ARG 29 -0.664 6.765 9.437
227 H LEU 30 H LEU 30 3.389 4.635 1.149
228 HA LEU 30 HA LEU 30 0.795 4.525 0.241
229 HB2 LEU 30 2HB LEU 30 3.264 3.273 -0.379
230 HB3 LEU 30 3HB LEU 30 2.022 2.024 -0.340
231 HG LEU 30 HG LEU 30 2.467 3.013 -2.595
232 HD11 LEU 30 1HD1 LEU 30 0.171 3.065 -3.238
233 HD12 LEU 30 2HD1 LEU 30 -0.337 3.474 -1.599
234 HD13 LEU 30 3HD1 LEU 30 0.340 1.882 -1.941
235 HD21 LEU 30 3HD2 LEU 30 2.701 5.366 -1.568
236 HD22 LEU 30 1HD2 LEU 30 0.940 5.414 -1.659
237 HD23 LEU 30 2HD2 LEU 30 1.893 5.202 -3.128
238 H CYS 31 H CYS 31 -0.663 2.615 0.117
239 HA CYS 31 HA CYS 31 -0.563 0.825 2.413
240 HB2 CYS 31 2HB CYS 31 -2.837 2.750 1.902
241 HB3 CYS 31 3HB CYS 31 -2.945 1.372 2.993
242 H CYS 32 H CYS 32 -1.237 -1.157 1.890
243 HA CYS 32 HA CYS 32 -2.713 -1.481 -0.639
244 HB2 CYS 32 2HB CYS 32 -0.478 -2.464 -0.706
245 HB3 CYS 32 3HB CYS 32 -0.824 -3.396 0.747
246 H ARG 33 H ARG 33 -4.490 -2.818 -0.726
247 HA ARG 33 HA ARG 33 -5.549 -3.677 1.883
248 HB2 ARG 33 2HB ARG 33 -6.831 -1.908 0.661
249 HB3 ARG 33 3HB ARG 33 -7.109 -3.067 -0.631
250 HG2 ARG 33 2HG ARG 33 -7.991 -4.484 1.488
251 HG3 ARG 33 3HG ARG 33 -8.368 -2.841 2.013
252 HD2 ARG 33 2HD ARG 33 -9.616 -2.449 -0.030
253 HD3 ARG 33 3HD ARG 33 -9.182 -4.050 -0.627
254 HE ARG 33 HE ARG 33 -10.490 -4.261 1.869
255 HH11 ARG 33 1HH1 ARG 33 -11.105 -3.558 -1.485
256 HH12 ARG 33 2HH1 ARG 33 -12.746 -4.110 -1.435
257 HH21 ARG 33 1HH2 ARG 33 -12.649 -4.991 1.948
258 HH22 ARG 33 2HH2 ARG 33 -13.624 -4.925 0.518
259 H ARG 34 H ARG 34 -4.908 -5.767 2.051
260 HA ARG 34 HA ARG 34 -4.851 -7.587 -0.133
261 HB2 ARG 34 2HB ARG 34 -4.441 -9.303 1.586
262 HB3 ARG 34 3HB ARG 34 -3.401 -7.900 1.795
263 HG2 ARG 34 2HG ARG 34 -4.307 -7.355 3.781
264 HG3 ARG 34 3HG ARG 34 -5.932 -7.844 3.296
265 HD2 ARG 34 2HD ARG 34 -3.854 -9.944 3.673
266 HD3 ARG 34 3HD ARG 34 -4.572 -9.199 5.101
267 HE ARG 34 HE ARG 34 -5.799 -11.091 3.359
268 HH11 ARG 34 1HH1 ARG 34 -6.439 -8.354 5.414
269 HH12 ARG 34 2HH1 ARG 34 -8.080 -8.810 5.730
270 HH21 ARG 34 1HH2 ARG 34 -7.958 -11.702 3.768
271 HH22 ARG 34 2HH2 ARG 34 -8.943 -10.715 4.794
Start of MODEL 8
1 H1 SER 1 H SER 1 -6.143 0.041 -2.493
2 HA SER 1 HA SER 1 -4.363 -1.648 -3.621
3 HB2 SER 1 2HB SER 1 -6.379 -0.285 -4.648
4 HB3 SER 1 3HB SER 1 -5.090 0.770 -5.227
5 HG SER 1 HG SER 1 -5.565 -1.944 -5.823
6 H CYS 2 H CYS 2 -2.831 -0.156 -1.806
7 HA CYS 2 HA CYS 2 -0.745 0.721 -1.583
8 HB2 CYS 2 2HB CYS 2 -0.514 0.148 -4.545
9 HB3 CYS 2 3HB CYS 2 0.824 0.500 -3.457
10 H THR 3 H THR 3 -3.103 2.355 -2.437
11 HA THR 3 HA THR 3 -2.429 4.387 -4.203
12 HB THR 3 HB THR 3 -4.078 4.699 -1.687
13 HG1 THR 3 HG1 THR 3 -5.561 3.583 -2.697
14 HG21 THR 3 3HG2 THR 3 -5.124 6.548 -2.788
15 HG22 THR 3 1HG2 THR 3 -4.257 6.219 -4.288
16 HG23 THR 3 2HG2 THR 3 -3.381 6.800 -2.872
17 H CYS 4 H CYS 4 -0.765 5.736 -4.179
18 HA CYS 4 HA CYS 4 0.783 6.205 -1.814
19 HB2 CYS 4 2HB CYS 4 0.962 6.935 -4.685
20 HB3 CYS 4 3HB CYS 4 1.779 8.005 -3.550
21 H ARG 5 H ARG 5 -1.426 7.025 -0.851
22 HA ARG 5 HA ARG 5 -2.117 9.741 -1.458
23 HB2 ARG 5 2HB ARG 5 -2.982 7.712 0.555
24 HB3 ARG 5 3HB ARG 5 -3.349 9.405 0.860
25 HG2 ARG 5 2HG ARG 5 -4.886 9.515 -0.793
26 HG3 ARG 5 3HG ARG 5 -4.022 8.371 -1.823
27 HD2 ARG 5 2HD ARG 5 -4.837 6.514 -0.592
28 HD3 ARG 5 3HD ARG 5 -5.445 7.551 0.697
29 HE ARG 5 HE ARG 5 -6.756 6.913 -1.772
30 HH11 ARG 5 1HH1 ARG 5 -6.469 9.273 0.772
31 HH12 ARG 5 2HH1 ARG 5 -8.053 9.929 0.519
32 HH21 ARG 5 1HH2 ARG 5 -8.843 7.768 -2.114
33 HH22 ARG 5 2HH2 ARG 5 -9.402 9.072 -1.122
34 H ARG 6 H ARG 6 -2.223 11.356 0.425
35 HA ARG 6 HA ARG 6 0.341 11.293 1.877
36 HB2 ARG 6 2HB ARG 6 -0.808 13.947 1.413
37 HB3 ARG 6 3HB ARG 6 0.842 13.380 1.197
38 HG2 ARG 6 2HG ARG 6 -0.037 12.235 -0.922
39 HG3 ARG 6 3HG ARG 6 -1.443 13.286 -0.734
40 HD2 ARG 6 2HD ARG 6 0.429 15.137 -0.481
41 HD3 ARG 6 3HD ARG 6 1.373 13.968 -1.404
42 HE ARG 6 HE ARG 6 -0.960 14.193 -2.793
43 HH11 ARG 6 1HH1 ARG 6 1.451 16.440 -1.674
44 HH12 ARG 6 2HH1 ARG 6 1.205 17.555 -2.978
45 HH21 ARG 6 1HH2 ARG 6 -1.293 15.651 -4.514
46 HH22 ARG 6 2HH2 ARG 6 -0.357 17.105 -4.592
47 H ALA 7 H ALA 7 -1.991 10.208 2.966
48 HA ALA 7 HA ALA 7 -2.438 12.066 5.195
49 HB1 ALA 7 1HB ALA 7 -4.367 11.907 3.453
50 HB2 ALA 7 2HB ALA 7 -4.703 10.367 4.246
51 HB3 ALA 7 3HB ALA 7 -4.734 11.864 5.178
52 H TRP 8 H TRP 8 -2.481 11.142 7.192
53 HA TRP 8 HA TRP 8 -1.238 8.709 7.637
54 HB2 TRP 8 2HB TRP 8 -3.210 10.011 9.522
55 HB3 TRP 8 3HB TRP 8 -1.882 8.935 9.947
56 HD1 TRP 8 HD1 TRP 8 0.399 10.368 8.207
57 HE1 TRP 8 HE1 TRP 8 1.317 12.642 8.990
58 HE3 TRP 8 HE3 TRP 8 -3.494 11.836 11.177
59 HZ2 TRP 8 HZ2 TRP 8 0.499 14.775 10.648
60 HZ3 TRP 8 HZ3 TRP 8 -3.347 14.006 12.327
61 HH2 TRP 8 HH2 TRP 8 -1.391 15.444 12.067
62 H ILE 9 H ILE 9 -4.578 9.397 6.990
63 HA ILE 9 HA ILE 9 -5.406 6.700 7.740
64 HB ILE 9 HB ILE 9 -7.679 7.434 7.239
65 HG12 ILE 9 2HG1 ILE 9 -7.774 10.077 6.872
66 HG13 ILE 9 3HG1 ILE 9 -6.226 9.769 6.093
67 HG21 ILE 9 1HG2 ILE 9 -6.494 9.658 8.845
68 HG22 ILE 9 2HG2 ILE 9 -7.965 8.729 9.131
69 HG23 ILE 9 3HG2 ILE 9 -6.388 7.996 9.423
70 HD11 ILE 9 3HD1 ILE 9 -8.558 8.084 5.350
71 HD12 ILE 9 1HD1 ILE 9 -8.460 9.733 4.734
72 HD13 ILE 9 2HD1 ILE 9 -7.169 8.583 4.385
73 H CYS 10 H CYS 10 -6.905 5.571 6.165
74 HA CYS 10 HA CYS 10 -6.283 6.058 3.361
75 HB2 CYS 10 2HB CYS 10 -5.684 3.424 4.726
76 HB3 CYS 10 3HB CYS 10 -5.599 3.712 2.991
77 H ARG 11 H ARG 11 -7.333 3.868 2.194
78 HA ARG 11 HA ARG 11 -10.050 4.290 2.184
79 HB2 ARG 11 2HB ARG 11 -8.529 1.770 1.503
80 HB3 ARG 11 3HB ARG 11 -10.225 2.029 1.119
81 HG2 ARG 11 2HG ARG 11 -8.192 4.006 0.198
82 HG3 ARG 11 3HG ARG 11 -8.389 2.480 -0.667
83 HD2 ARG 11 2HD ARG 11 -10.827 2.991 -0.851
84 HD3 ARG 11 3HD ARG 11 -10.492 4.579 -0.162
85 HE ARG 11 HE ARG 11 -9.694 5.244 -2.196
86 HH11 ARG 11 1HH1 ARG 11 -9.785 1.765 -2.105
87 HH12 ARG 11 2HH1 ARG 11 -9.369 1.581 -3.777
88 HH21 ARG 11 1HH2 ARG 11 -9.145 5.015 -4.398
89 HH22 ARG 11 2HH2 ARG 11 -9.005 3.430 -5.080
90 H TRP 12 H TRP 12 -8.754 1.203 3.373
91 HA TRP 12 HA TRP 12 -9.799 1.320 5.959
92 HB2 TRP 12 2HB TRP 12 -11.769 0.756 3.906
93 HB3 TRP 12 3HB TRP 12 -11.639 -0.577 5.050
94 HD1 TRP 12 HD1 TRP 12 -11.401 0.723 7.780
95 HE1 TRP 12 HE1 TRP 12 -13.233 2.247 8.753
96 HE3 TRP 12 HE3 TRP 12 -13.716 2.088 3.431
97 HZ2 TRP 12 HZ2 TRP 12 -15.375 3.820 7.803
98 HZ3 TRP 12 HZ3 TRP 12 -15.650 3.605 3.550
99 HH2 TRP 12 HH2 TRP 12 -16.461 4.451 5.691
100 H GLY 13 H GLY 13 -8.963 -0.318 7.126
101 HA2 GLY 13 2HA GLY 13 -7.673 -2.163 7.588
102 HA3 GLY 13 3HA GLY 13 -8.704 -2.974 6.418
103 H GLU 14 H GLU 14 -6.422 -0.334 5.832
104 HA GLU 14 HA GLU 14 -5.197 -1.882 3.712
105 HB2 GLU 14 2HB GLU 14 -4.624 0.925 4.678
106 HB3 GLU 14 3HB GLU 14 -3.944 0.186 3.235
107 HG2 GLU 14 2HG GLU 14 -6.884 0.186 3.423
108 HG3 GLU 14 3HG GLU 14 -6.114 1.760 3.228
109 H ARG 15 H ARG 15 -2.623 -1.187 3.639
110 HA ARG 15 HA ARG 15 -1.404 -1.746 6.227
111 HB2 ARG 15 2HB ARG 15 -0.286 -3.704 5.584
112 HB3 ARG 15 3HB ARG 15 -1.923 -3.929 4.981
113 HG2 ARG 15 2HG ARG 15 -0.902 -2.876 2.795
114 HG3 ARG 15 3HG ARG 15 0.605 -3.476 3.491
115 HD2 ARG 15 2HD ARG 15 -1.858 -5.169 3.115
116 HD3 ARG 15 3HD ARG 15 -0.558 -5.060 1.928
117 HE ARG 15 HE ARG 15 0.311 -5.785 4.578
118 HH11 ARG 15 1HH1 ARG 15 -0.854 -6.939 1.507
119 HH12 ARG 15 2HH1 ARG 15 -0.179 -8.523 1.699
120 HH21 ARG 15 1HH2 ARG 15 1.203 -7.868 4.843
121 HH22 ARG 15 2HH2 ARG 15 0.990 -9.051 3.597
122 H HIS 16 H HIS 16 0.883 -1.345 6.275
123 HA HIS 16 HA HIS 16 1.642 0.779 4.458
124 HB2 HIS 16 2HB HIS 16 2.133 1.208 6.745
125 HB3 HIS 16 3HB HIS 16 2.899 -0.364 6.951
126 HD1 HIS 16 HD1 HIS 16 5.360 -0.263 6.972
127 HD2 HIS 16 HD2 HIS 16 3.716 2.830 4.738
128 HE1 HIS 16 HE1 HIS 16 7.313 1.121 6.200
129 H SER 17 H SER 17 2.868 0.528 2.715
130 HA SER 17 HA SER 17 4.586 -1.859 2.535
131 HB2 SER 17 2HB SER 17 2.351 -1.300 0.945
132 HB3 SER 17 3HB SER 17 3.738 -0.881 -0.061
133 HG SER 17 HG SER 17 3.627 -2.983 -0.413
134 H GLY 18 H GLY 18 4.624 1.365 2.847
135 HA2 GLY 18 2HA GLY 18 6.583 2.675 2.776
136 HA3 GLY 18 3HA GLY 18 7.259 1.559 1.599
137 H LYS 19 H LYS 19 6.378 4.623 1.913
138 HA LYS 19 HA LYS 19 4.643 5.294 -0.118
139 HB2 LYS 19 2HB LYS 19 5.542 7.470 -0.041
140 HB3 LYS 19 3HB LYS 19 5.790 6.822 1.575
141 HG2 LYS 19 2HG LYS 19 8.119 6.117 0.441
142 HG3 LYS 19 3HG LYS 19 7.752 7.570 -0.490
143 HD2 LYS 19 2HD LYS 19 7.543 8.863 1.547
144 HD3 LYS 19 3HD LYS 19 7.786 7.413 2.524
145 HE2 LYS 19 2HE LYS 19 9.897 7.888 0.557
146 HE3 LYS 19 3HE LYS 19 9.746 9.167 1.761
147 HZ1 LYS 19 3HZ LYS 19 9.672 7.141 3.383
148 HZ2 LYS 19 1HZ LYS 19 11.151 7.737 2.821
149 HZ3 LYS 19 2HZ LYS 19 10.478 6.352 2.123
150 H CYS 20 H CYS 20 5.267 6.418 -2.213
151 HA CYS 20 HA CYS 20 7.367 4.866 -3.581
152 HB2 CYS 20 2HB CYS 20 6.005 4.860 -5.586
153 HB3 CYS 20 3HB CYS 20 5.070 4.197 -4.249
154 H ILE 21 H ILE 21 7.465 6.118 -5.974
155 HA ILE 21 HA ILE 21 8.101 8.918 -5.306
156 HB ILE 21 HB ILE 21 10.129 7.454 -5.554
157 HG12 ILE 21 2HG1 ILE 21 10.650 9.201 -7.761
158 HG13 ILE 21 3HG1 ILE 21 9.579 10.024 -6.632
159 HG21 ILE 21 1HG2 ILE 21 8.877 6.283 -7.591
160 HG22 ILE 21 2HG2 ILE 21 9.793 7.486 -8.497
161 HG23 ILE 21 3HG2 ILE 21 10.635 6.332 -7.463
162 HD11 ILE 21 3HD1 ILE 21 11.597 10.623 -5.781
163 HD12 ILE 21 1HD1 ILE 21 11.321 9.138 -4.870
164 HD13 ILE 21 2HD1 ILE 21 12.380 9.124 -6.281
165 H ASP 22 H ASP 22 6.200 6.934 -7.124
166 HA ASP 22 HA ASP 22 6.204 7.924 -9.699
167 HB2 ASP 22 2HB ASP 22 4.807 6.069 -9.241
168 HB3 ASP 22 3HB ASP 22 3.955 6.926 -7.960
169 H GLN 23 H GLN 23 3.697 8.922 -7.384
170 HA GLN 23 HA GLN 23 3.602 11.531 -8.696
171 HB2 GLN 23 2HB GLN 23 1.490 11.836 -7.462
172 HB3 GLN 23 3HB GLN 23 1.481 10.372 -8.436
173 HG2 GLN 23 2HG GLN 23 2.021 9.068 -6.409
174 HG3 GLN 23 3HG GLN 23 1.901 10.550 -5.462
175 HE21 GLN 23 1HE2 GLN 23 0.070 10.653 -4.400
176 HE22 GLN 23 2HE2 GLN 23 -1.474 10.120 -4.964
177 H LYS 24 H LYS 24 4.078 10.089 -5.506
178 HA LYS 24 HA LYS 24 5.822 12.122 -4.641
179 HB2 LYS 24 2HB LYS 24 3.012 12.668 -4.280
180 HB3 LYS 24 3HB LYS 24 3.810 12.529 -2.718
181 HG2 LYS 24 2HG LYS 24 4.770 14.515 -2.941
182 HG3 LYS 24 3HG LYS 24 5.369 14.122 -4.554
183 HD2 LYS 24 2HD LYS 24 2.757 14.482 -5.100
184 HD3 LYS 24 3HD LYS 24 2.938 15.582 -3.731
185 HE2 LYS 24 2HE LYS 24 4.752 15.587 -6.137
186 HE3 LYS 24 3HE LYS 24 3.325 16.611 -5.988
187 HZ1 LYS 24 3HZ LYS 24 5.682 16.627 -4.181
188 HZ2 LYS 24 1HZ LYS 24 4.297 17.578 -3.981
189 HZ3 LYS 24 2HZ LYS 24 5.295 17.810 -5.327
190 H GLY 25 H GLY 25 5.807 12.023 -2.002
191 HA2 GLY 25 2HA GLY 25 5.117 10.039 -0.406
192 HA3 GLY 25 3HA GLY 25 6.234 9.181 -1.458
193 H SER 26 H SER 26 5.943 11.820 0.858
194 HA SER 26 HA SER 26 8.817 11.518 1.429
195 HB2 SER 26 2HB SER 26 7.246 13.954 0.857
196 HB3 SER 26 3HB SER 26 8.340 14.069 2.235
197 HG SER 26 HG SER 26 9.018 14.409 -0.203
198 H THR 27 H THR 27 6.187 13.365 2.947
199 HA THR 27 HA THR 27 6.925 12.208 5.526
200 HB THR 27 HB THR 27 5.326 13.938 6.442
201 HG1 THR 27 HG1 THR 27 4.258 15.171 5.084
202 HG21 THR 27 3HG2 THR 27 7.223 15.551 4.900
203 HG22 THR 27 1HG2 THR 27 7.950 14.160 5.702
204 HG23 THR 27 2HG2 THR 27 7.059 15.356 6.644
205 H TYR 28 H TYR 28 5.406 10.726 3.445
206 HA TYR 28 HA TYR 28 3.301 9.764 5.193
207 HB2 TYR 28 2HB TYR 28 1.778 9.781 3.020
208 HB3 TYR 28 3HB TYR 28 1.830 11.156 4.116
209 HD1 TYR 28 HD2 TYR 28 3.412 13.080 3.531
210 HD2 TYR 28 HD1 TYR 28 2.328 10.039 0.759
211 HE1 TYR 28 HE2 TYR 28 4.090 14.540 1.673
212 HE2 TYR 28 HE1 TYR 28 3.005 11.491 -1.107
213 HH TYR 28 HH TYR 28 4.262 14.765 -0.525
214 H ARG 29 H ARG 29 2.050 7.951 3.764
215 HA ARG 29 HA ARG 29 3.911 6.469 2.097
216 HB2 ARG 29 2HB ARG 29 3.212 4.414 3.674
217 HB3 ARG 29 3HB ARG 29 4.674 5.358 3.925
218 HG2 ARG 29 2HG ARG 29 3.503 5.016 6.016
219 HG3 ARG 29 3HG ARG 29 3.505 6.726 5.580
220 HD2 ARG 29 2HD ARG 29 1.228 6.497 4.704
221 HD3 ARG 29 3HD ARG 29 1.230 4.792 5.152
222 HE ARG 29 HE ARG 29 0.716 5.419 7.280
223 HH11 ARG 29 1HH1 ARG 29 2.169 8.131 5.651
224 HH12 ARG 29 2HH1 ARG 29 1.921 9.225 6.971
225 HH21 ARG 29 1HH2 ARG 29 0.383 6.849 9.025
226 HH22 ARG 29 2HH2 ARG 29 0.905 8.494 8.891
227 H LEU 30 H LEU 30 2.906 4.594 1.072
228 HA LEU 30 HA LEU 30 0.222 5.178 0.271
229 HB2 LEU 30 2HB LEU 30 0.512 3.601 -1.384
230 HB3 LEU 30 3HB LEU 30 2.159 4.164 -1.105
231 HG LEU 30 HG LEU 30 0.927 1.559 -0.227
232 HD11 LEU 30 1HD1 LEU 30 2.374 0.537 -1.717
233 HD12 LEU 30 2HD1 LEU 30 3.444 1.936 -1.799
234 HD13 LEU 30 3HD1 LEU 30 1.872 1.981 -2.597
235 HD21 LEU 30 3HD2 LEU 30 2.232 2.217 1.624
236 HD22 LEU 30 1HD2 LEU 30 3.510 2.861 0.594
237 HD23 LEU 30 2HD2 LEU 30 3.248 1.119 0.689
238 H CYS 31 H CYS 31 -0.993 2.768 -0.086
239 HA CYS 31 HA CYS 31 -1.099 1.394 2.477
240 HB2 CYS 31 2HB CYS 31 -3.133 3.306 1.541
241 HB3 CYS 31 3HB CYS 31 -3.776 1.750 2.056
242 H CYS 32 H CYS 32 -0.608 -0.557 1.614
243 HA CYS 32 HA CYS 32 -2.035 -1.497 -0.748
244 HB2 CYS 32 2HB CYS 32 0.290 -2.582 0.836
245 HB3 CYS 32 3HB CYS 32 -0.505 -3.522 -0.422
246 H ARG 33 H ARG 33 -2.361 -4.102 -0.467
247 HA ARG 33 HA ARG 33 -3.521 -4.841 2.055
248 HB2 ARG 33 2HB ARG 33 -5.225 -3.354 0.734
249 HB3 ARG 33 3HB ARG 33 -5.468 -4.810 -0.221
250 HG2 ARG 33 2HG ARG 33 -5.776 -5.916 2.143
251 HG3 ARG 33 3HG ARG 33 -6.166 -4.260 2.614
252 HD2 ARG 33 2HD ARG 33 -7.712 -4.337 0.510
253 HD3 ARG 33 3HD ARG 33 -7.584 -6.083 0.720
254 HE ARG 33 HE ARG 33 -8.262 -5.194 3.190
255 HH11 ARG 33 1HH1 ARG 33 -9.610 -4.750 0.011
256 HH12 ARG 33 2HH1 ARG 33 -11.237 -4.579 0.583
257 HH21 ARG 33 1HH2 ARG 33 -10.399 -4.971 3.955
258 HH22 ARG 33 2HH2 ARG 33 -11.684 -4.705 2.826
259 H ARG 34 H ARG 34 -3.358 -6.979 2.300
260 HA ARG 34 HA ARG 34 -2.108 -8.625 0.451
261 HB2 ARG 34 2HB ARG 34 -2.675 -10.470 1.892
262 HB3 ARG 34 3HB ARG 34 -2.295 -9.074 2.891
263 HG2 ARG 34 2HG ARG 34 -4.224 -9.341 3.935
264 HG3 ARG 34 3HG ARG 34 -5.064 -8.983 2.424
265 HD2 ARG 34 2HD ARG 34 -5.313 -11.231 1.886
266 HD3 ARG 34 3HD ARG 34 -4.012 -11.732 2.964
267 HE ARG 34 HE ARG 34 -6.021 -10.620 4.536
268 HH11 ARG 34 1HH1 ARG 34 -5.558 -13.360 2.439
269 HH12 ARG 34 2HH1 ARG 34 -6.695 -14.361 3.281
270 HH21 ARG 34 1HH2 ARG 34 -7.519 -11.928 5.652
271 HH22 ARG 34 2HH2 ARG 34 -7.810 -13.545 5.108
Start of MODEL 9
1 H1 SER 1 H SER 1 2.267 -2.497 -0.314
2 HA SER 1 HA SER 1 1.401 -0.456 -0.883
3 HB2 SER 1 2HB SER 1 3.127 -0.265 -3.280
4 HB3 SER 1 3HB SER 1 2.984 0.825 -1.902
5 HG SER 1 HG SER 1 5.013 -0.433 -2.146
6 H CYS 2 H CYS 2 -0.499 0.005 -1.752
7 HA CYS 2 HA CYS 2 -0.994 -0.628 -4.565
8 HB2 CYS 2 2HB CYS 2 -2.988 -1.305 -2.398
9 HB3 CYS 2 3HB CYS 2 -3.125 -1.654 -4.118
10 H THR 3 H THR 3 -2.934 0.550 -1.818
11 HA THR 3 HA THR 3 -4.070 2.649 -3.414
12 HB THR 3 HB THR 3 -4.279 2.302 -0.420
13 HG1 THR 3 HG1 THR 3 -6.221 1.397 -2.256
14 HG21 THR 3 3HG2 THR 3 -6.594 3.334 -1.814
15 HG22 THR 3 1HG2 THR 3 -5.173 4.338 -2.102
16 HG23 THR 3 2HG2 THR 3 -5.708 4.018 -0.452
17 H CYS 4 H CYS 4 -1.811 3.490 -3.896
18 HA CYS 4 HA CYS 4 -0.332 4.855 -1.912
19 HB2 CYS 4 2HB CYS 4 -0.370 5.532 -4.854
20 HB3 CYS 4 3HB CYS 4 0.944 5.775 -3.708
21 H ARG 5 H ARG 5 -1.458 6.289 -0.694
22 HA ARG 5 HA ARG 5 -2.579 8.611 -2.111
23 HB2 ARG 5 2HB ARG 5 -3.761 7.105 0.218
24 HB3 ARG 5 3HB ARG 5 -4.245 8.747 -0.186
25 HG2 ARG 5 2HG ARG 5 -5.152 8.078 -2.255
26 HG3 ARG 5 3HG ARG 5 -4.381 6.493 -2.164
27 HD2 ARG 5 2HD ARG 5 -6.611 6.079 -1.603
28 HD3 ARG 5 3HD ARG 5 -5.779 6.142 -0.050
29 HE ARG 5 HE ARG 5 -6.974 8.025 0.481
30 HH11 ARG 5 1HH1 ARG 5 -7.293 7.376 -2.924
31 HH12 ARG 5 2HH1 ARG 5 -8.525 8.569 -3.169
32 HH21 ARG 5 1HH2 ARG 5 -8.595 9.600 0.171
33 HH22 ARG 5 2HH2 ARG 5 -9.264 9.834 -1.408
34 H ARG 6 H ARG 6 -3.036 10.393 -0.295
35 HA ARG 6 HA ARG 6 -0.608 10.563 1.366
36 HB2 ARG 6 2HB ARG 6 -1.650 13.157 0.627
37 HB3 ARG 6 3HB ARG 6 -0.030 12.505 0.421
38 HG2 ARG 6 2HG ARG 6 -0.908 11.306 -1.621
39 HG3 ARG 6 3HG ARG 6 -2.363 12.292 -1.457
40 HD2 ARG 6 2HD ARG 6 -0.760 14.295 -1.426
41 HD3 ARG 6 3HD ARG 6 0.447 13.168 -2.042
42 HE ARG 6 HE ARG 6 -0.561 13.288 -4.084
43 HH11 ARG 6 1HH1 ARG 6 -2.814 14.375 -1.663
44 HH12 ARG 6 2HH1 ARG 6 -4.013 14.867 -2.813
45 HH21 ARG 6 1HH2 ARG 6 -2.132 13.931 -5.608
46 HH22 ARG 6 2HH2 ARG 6 -3.624 14.613 -5.057
47 H ALA 7 H ALA 7 -1.272 10.305 3.403
48 HA ALA 7 HA ALA 7 -2.815 12.227 4.726
49 HB1 ALA 7 1HB ALA 7 -4.551 10.042 5.149
50 HB2 ALA 7 2HB ALA 7 -4.916 11.598 4.401
51 HB3 ALA 7 3HB ALA 7 -4.381 10.245 3.405
52 H TRP 8 H TRP 8 -3.365 11.531 7.001
53 HA TRP 8 HA TRP 8 -1.106 10.126 8.088
54 HB2 TRP 8 2HB TRP 8 -2.173 10.664 10.287
55 HB3 TRP 8 3HB TRP 8 -1.901 12.072 9.263
56 HD1 TRP 8 HD1 TRP 8 -4.698 9.953 10.761
57 HE1 TRP 8 HE1 TRP 8 -6.928 11.209 10.484
58 HE3 TRP 8 HE3 TRP 8 -3.108 13.780 7.767
59 HZ2 TRP 8 HZ2 TRP 8 -7.886 13.516 9.169
60 HZ3 TRP 8 HZ3 TRP 8 -4.744 15.469 7.044
61 HH2 TRP 8 HH2 TRP 8 -7.083 15.338 7.731
62 H ILE 9 H ILE 9 -3.937 9.072 6.791
63 HA ILE 9 HA ILE 9 -3.793 6.567 8.310
64 HB ILE 9 HB ILE 9 -6.260 6.365 8.251
65 HG12 ILE 9 2HG1 ILE 9 -7.355 8.783 8.035
66 HG13 ILE 9 3HG1 ILE 9 -5.980 9.043 6.967
67 HG21 ILE 9 1HG2 ILE 9 -6.387 8.652 9.827
68 HG22 ILE 9 2HG2 ILE 9 -5.976 7.022 10.356
69 HG23 ILE 9 3HG2 ILE 9 -4.699 8.149 9.900
70 HD11 ILE 9 3HD1 ILE 9 -8.226 8.218 5.993
71 HD12 ILE 9 1HD1 ILE 9 -6.719 7.498 5.428
72 HD13 ILE 9 2HD1 ILE 9 -7.717 6.646 6.607
73 H CYS 10 H CYS 10 -5.500 4.986 7.103
74 HA CYS 10 HA CYS 10 -4.949 5.200 4.218
75 HB2 CYS 10 2HB CYS 10 -4.960 2.602 5.758
76 HB3 CYS 10 3HB CYS 10 -4.449 2.865 4.093
77 H ARG 11 H ARG 11 -6.345 3.479 3.009
78 HA ARG 11 HA ARG 11 -8.993 4.218 3.142
79 HB2 ARG 11 2HB ARG 11 -7.783 1.650 2.111
80 HB3 ARG 11 3HB ARG 11 -9.456 2.120 1.839
81 HG2 ARG 11 2HG ARG 11 -7.189 3.904 1.033
82 HG3 ARG 11 3HG ARG 11 -7.746 2.590 -0.005
83 HD2 ARG 11 2HD ARG 11 -9.949 4.177 1.003
84 HD3 ARG 11 3HD ARG 11 -8.780 5.165 0.127
85 HE ARG 11 HE ARG 11 -9.302 2.877 -1.390
86 HH11 ARG 11 1HH1 ARG 11 -10.937 5.742 -0.276
87 HH12 ARG 11 2HH1 ARG 11 -12.019 5.809 -1.628
88 HH21 ARG 11 1HH2 ARG 11 -10.721 2.954 -3.175
89 HH22 ARG 11 2HH2 ARG 11 -11.896 4.222 -3.276
90 H TRP 12 H TRP 12 -8.030 0.889 3.932
91 HA TRP 12 HA TRP 12 -9.204 0.917 6.523
92 HB2 TRP 12 2HB TRP 12 -10.918 0.283 4.246
93 HB3 TRP 12 3HB TRP 12 -10.871 -1.010 5.442
94 HD1 TRP 12 HD1 TRP 12 -11.325 -0.023 8.101
95 HE1 TRP 12 HE1 TRP 12 -13.173 1.616 8.826
96 HE3 TRP 12 HE3 TRP 12 -12.372 2.082 3.561
97 HZ2 TRP 12 HZ2 TRP 12 -14.852 3.545 7.632
98 HZ3 TRP 12 HZ3 TRP 12 -14.112 3.817 3.439
99 HH2 TRP 12 HH2 TRP 12 -15.326 4.532 5.433
100 H GLY 13 H GLY 13 -8.142 -0.565 7.663
101 HA2 GLY 13 2HA GLY 13 -6.773 -2.345 8.154
102 HA3 GLY 13 3HA GLY 13 -7.811 -3.239 7.053
103 H GLU 14 H GLU 14 -5.787 -0.523 6.118
104 HA GLU 14 HA GLU 14 -4.523 -2.138 4.094
105 HB2 GLU 14 2HB GLU 14 -4.061 0.749 4.865
106 HB3 GLU 14 3HB GLU 14 -3.409 -0.042 3.437
107 HG2 GLU 14 2HG GLU 14 -6.054 -0.546 3.144
108 HG3 GLU 14 3HG GLU 14 -6.090 1.022 3.949
109 H ARG 15 H ARG 15 -2.017 -1.502 3.822
110 HA ARG 15 HA ARG 15 -0.631 -1.706 6.382
111 HB2 ARG 15 2HB ARG 15 0.526 -3.702 5.870
112 HB3 ARG 15 3HB ARG 15 -1.162 -4.033 5.507
113 HG2 ARG 15 2HG ARG 15 -0.589 -3.428 3.098
114 HG3 ARG 15 3HG ARG 15 1.099 -3.553 3.599
115 HD2 ARG 15 2HD ARG 15 0.233 -5.859 4.588
116 HD3 ARG 15 3HD ARG 15 -0.968 -5.667 3.311
117 HE ARG 15 HE ARG 15 1.418 -5.219 2.069
118 HH11 ARG 15 1HH1 ARG 15 0.093 -7.809 3.982
119 HH12 ARG 15 2HH1 ARG 15 1.011 -9.043 3.185
120 HH21 ARG 15 1HH2 ARG 15 2.633 -6.835 1.012
121 HH22 ARG 15 2HH2 ARG 15 2.457 -8.487 1.496
122 H HIS 16 H HIS 16 1.466 -0.943 6.349
123 HA HIS 16 HA HIS 16 2.135 0.744 4.105
124 HB2 HIS 16 2HB HIS 16 2.575 1.749 6.184
125 HB3 HIS 16 3HB HIS 16 3.330 0.295 6.829
126 HD1 HIS 16 HD1 HIS 16 5.818 0.000 6.448
127 HD2 HIS 16 HD2 HIS 16 4.234 3.265 4.426
128 HE1 HIS 16 HE1 HIS 16 7.801 1.280 5.581
129 H SER 17 H SER 17 3.762 0.476 2.656
130 HA SER 17 HA SER 17 5.718 -1.633 2.988
131 HB2 SER 17 2HB SER 17 3.813 -1.704 0.636
132 HB3 SER 17 3HB SER 17 5.150 -2.815 0.937
133 HG SER 17 HG SER 17 3.544 -3.908 1.816
134 H GLY 18 H GLY 18 6.351 0.935 2.987
135 HA2 GLY 18 2HA GLY 18 7.794 2.426 1.999
136 HA3 GLY 18 3HA GLY 18 8.094 1.206 0.770
137 H LYS 19 H LYS 19 7.075 4.269 1.193
138 HA LYS 19 HA LYS 19 4.781 4.665 -0.253
139 HB2 LYS 19 2HB LYS 19 5.511 6.885 -0.651
140 HB3 LYS 19 3HB LYS 19 6.225 6.409 0.885
141 HG2 LYS 19 2HG LYS 19 8.280 5.761 -0.543
142 HG3 LYS 19 3HG LYS 19 7.541 6.793 -1.770
143 HD2 LYS 19 2HD LYS 19 8.021 8.684 -0.644
144 HD3 LYS 19 3HD LYS 19 7.657 7.961 0.925
145 HE2 LYS 19 2HE LYS 19 9.917 6.624 0.248
146 HE3 LYS 19 3HE LYS 19 10.212 8.186 -0.515
147 HZ1 LYS 19 3HZ LYS 19 9.404 7.893 2.323
148 HZ2 LYS 19 1HZ LYS 19 9.981 9.284 1.552
149 HZ3 LYS 19 2HZ LYS 19 11.018 7.976 1.822
150 H CYS 20 H CYS 20 4.247 4.942 -2.413
151 HA CYS 20 HA CYS 20 5.746 3.353 -4.264
152 HB2 CYS 20 2HB CYS 20 3.448 5.175 -4.962
153 HB3 CYS 20 3HB CYS 20 3.956 3.702 -5.782
154 H ILE 21 H ILE 21 5.910 4.382 -6.611
155 HA ILE 21 HA ILE 21 8.036 6.189 -6.553
156 HB ILE 21 HB ILE 21 6.164 5.655 -8.863
157 HG12 ILE 21 2HG1 ILE 21 8.620 4.303 -9.178
158 HG13 ILE 21 3HG1 ILE 21 8.095 3.983 -7.529
159 HG21 ILE 21 1HG2 ILE 21 7.420 7.581 -9.383
160 HG22 ILE 21 2HG2 ILE 21 8.893 6.901 -8.695
161 HG23 ILE 21 3HG2 ILE 21 8.237 6.246 -10.195
162 HD11 ILE 21 3HD1 ILE 21 6.060 3.696 -9.648
163 HD12 ILE 21 1HD1 ILE 21 7.354 2.499 -9.610
164 HD13 ILE 21 2HD1 ILE 21 6.333 2.739 -8.192
165 H ASP 22 H ASP 22 4.809 6.855 -7.922
166 HA ASP 22 HA ASP 22 5.119 9.626 -8.059
167 HB2 ASP 22 2HB ASP 22 3.147 7.799 -8.753
168 HB3 ASP 22 3HB ASP 22 2.367 8.815 -7.544
169 H GLN 23 H GLN 23 3.286 11.019 -6.825
170 HA GLN 23 HA GLN 23 2.971 12.184 -4.886
171 HB2 GLN 23 2HB GLN 23 2.593 9.480 -3.613
172 HB3 GLN 23 3HB GLN 23 1.806 10.996 -3.196
173 HG2 GLN 23 2HG GLN 23 1.412 9.649 -5.849
174 HG3 GLN 23 3HG GLN 23 0.416 9.291 -4.438
175 HE21 GLN 23 1HE2 GLN 23 -1.462 10.266 -4.587
176 HE22 GLN 23 2HE2 GLN 23 -1.740 11.870 -5.165
177 H LYS 24 H LYS 24 5.124 12.927 -4.664
178 HA LYS 24 HA LYS 24 7.239 11.578 -3.482
179 HB2 LYS 24 2HB LYS 24 7.569 13.696 -4.599
180 HB3 LYS 24 3HB LYS 24 6.558 14.522 -3.420
181 HG2 LYS 24 2HG LYS 24 8.182 14.519 -1.814
182 HG3 LYS 24 3HG LYS 24 8.961 13.067 -2.447
183 HD2 LYS 24 2HD LYS 24 8.962 15.604 -4.038
184 HD3 LYS 24 3HD LYS 24 10.128 15.368 -2.734
185 HE2 LYS 24 2HE LYS 24 9.742 13.314 -4.888
186 HE3 LYS 24 3HE LYS 24 10.816 14.694 -5.116
187 HZ1 LYS 24 3HZ LYS 24 11.543 13.716 -2.690
188 HZ2 LYS 24 1HZ LYS 24 12.346 13.421 -4.150
189 HZ3 LYS 24 2HZ LYS 24 11.210 12.310 -3.570
190 H GLY 25 H GLY 25 6.863 10.414 -1.659
191 HA2 GLY 25 2HA GLY 25 5.215 11.092 0.475
192 HA3 GLY 25 3HA GLY 25 6.593 10.007 0.584
193 H SER 26 H SER 26 5.351 13.109 1.333
194 HA SER 26 HA SER 26 7.952 13.887 2.481
195 HB2 SER 26 2HB SER 26 5.990 15.383 0.918
196 HB3 SER 26 3HB SER 26 6.416 16.193 2.425
197 HG SER 26 HG SER 26 7.777 16.328 0.280
198 H THR 27 H THR 27 4.615 13.261 3.071
199 HA THR 27 HA THR 27 5.030 13.315 5.911
200 HB THR 27 HB THR 27 2.856 15.150 4.939
201 HG1 THR 27 HG1 THR 27 4.247 16.764 4.765
202 HG21 THR 27 3HG2 THR 27 4.197 14.541 7.541
203 HG22 THR 27 1HG2 THR 27 2.478 14.665 7.169
204 HG23 THR 27 2HG2 THR 27 3.463 16.123 7.287
205 H TYR 28 H TYR 28 4.150 11.499 3.746
206 HA TYR 28 HA TYR 28 1.839 10.418 5.122
207 HB2 TYR 28 2HB TYR 28 0.604 10.125 2.931
208 HB3 TYR 28 3HB TYR 28 0.665 11.770 3.554
209 HD1 TYR 28 HD2 TYR 28 2.426 13.345 2.577
210 HD2 TYR 28 HD1 TYR 28 1.370 9.640 0.771
211 HE1 TYR 28 HE2 TYR 28 3.369 14.123 0.443
212 HE2 TYR 28 HE1 TYR 28 2.311 10.407 -1.368
213 HH TYR 28 HH TYR 28 3.102 13.627 -1.978
214 H ARG 29 H ARG 29 1.645 8.215 4.913
215 HA ARG 29 HA ARG 29 3.772 6.893 3.360
216 HB2 ARG 29 2HB ARG 29 2.380 5.946 5.873
217 HB3 ARG 29 3HB ARG 29 3.617 5.055 4.996
218 HG2 ARG 29 2HG ARG 29 5.172 6.061 6.201
219 HG3 ARG 29 3HG ARG 29 4.667 7.617 5.539
220 HD2 ARG 29 2HD ARG 29 3.051 6.457 7.743
221 HD3 ARG 29 3HD ARG 29 4.640 7.106 8.146
222 HE ARG 29 HE ARG 29 2.297 8.593 7.380
223 HH11 ARG 29 1HH1 ARG 29 5.773 8.605 7.576
224 HH12 ARG 29 2HH1 ARG 29 5.895 10.333 7.614
225 HH21 ARG 29 1HH2 ARG 29 2.445 10.869 7.429
226 HH22 ARG 29 2HH2 ARG 29 4.001 11.620 7.531
227 H LEU 30 H LEU 30 3.193 5.548 1.781
228 HA LEU 30 HA LEU 30 0.605 5.300 0.837
229 HB2 LEU 30 2HB LEU 30 1.417 3.690 -0.678
230 HB3 LEU 30 3HB LEU 30 2.750 4.803 -0.380
231 HG LEU 30 HG LEU 30 3.770 2.715 -0.401
232 HD11 LEU 30 1HD1 LEU 30 4.490 2.295 1.870
233 HD12 LEU 30 2HD1 LEU 30 3.106 3.186 2.502
234 HD13 LEU 30 3HD1 LEU 30 4.358 4.032 1.592
235 HD21 LEU 30 3HD2 LEU 30 1.911 1.426 1.524
236 HD22 LEU 30 1HD2 LEU 30 2.845 0.723 0.203
237 HD23 LEU 30 2HD2 LEU 30 1.370 1.626 -0.144
238 H CYS 31 H CYS 31 -0.445 3.036 0.467
239 HA CYS 31 HA CYS 31 -0.240 1.169 2.632
240 HB2 CYS 31 2HB CYS 31 -2.117 3.370 2.833
241 HB3 CYS 31 3HB CYS 31 -2.953 1.820 2.829
242 H CYS 32 H CYS 32 -0.889 -0.787 1.969
243 HA CYS 32 HA CYS 32 -2.278 -0.952 -0.608
244 HB2 CYS 32 2HB CYS 32 -0.105 -2.099 -0.434
245 HB3 CYS 32 3HB CYS 32 -0.726 -3.067 0.899
246 H ARG 33 H ARG 33 -4.096 -2.236 -0.905
247 HA ARG 33 HA ARG 33 -5.315 -3.429 1.477
248 HB2 ARG 33 2HB ARG 33 -7.463 -2.392 1.016
249 HB3 ARG 33 3HB ARG 33 -6.237 -1.153 1.250
250 HG2 ARG 33 2HG ARG 33 -7.014 -0.252 -0.628
251 HG3 ARG 33 3HG ARG 33 -6.178 -1.562 -1.464
252 HD2 ARG 33 2HD ARG 33 -8.577 -2.689 -0.639
253 HD3 ARG 33 3HD ARG 33 -9.016 -1.064 -1.165
254 HE ARG 33 HE ARG 33 -7.321 -2.303 -3.064
255 HH11 ARG 33 1HH1 ARG 33 -10.589 -2.334 -1.865
256 HH12 ARG 33 2HH1 ARG 33 -11.270 -2.892 -3.357
257 HH21 ARG 33 1HH2 ARG 33 -8.205 -3.037 -5.034
258 HH22 ARG 33 2HH2 ARG 33 -9.913 -3.293 -5.159
259 H ARG 34 H ARG 34 -7.658 -4.303 0.522
260 HA ARG 34 HA ARG 34 -7.530 -5.423 -2.090
261 HB2 ARG 34 2HB ARG 34 -7.347 -7.802 -1.390
262 HB3 ARG 34 3HB ARG 34 -5.870 -6.884 -1.126
263 HG2 ARG 34 2HG ARG 34 -6.267 -6.762 1.215
264 HG3 ARG 34 3HG ARG 34 -7.896 -7.415 1.030
265 HD2 ARG 34 2HD ARG 34 -7.026 -9.549 0.357
266 HD3 ARG 34 3HD ARG 34 -5.382 -8.913 0.311
267 HE ARG 34 HE ARG 34 -6.404 -8.547 2.891
268 HH11 ARG 34 1HH1 ARG 34 -5.439 -11.120 0.753
269 HH12 ARG 34 2HH1 ARG 34 -4.983 -12.191 2.036
270 HH21 ARG 34 1HH2 ARG 34 -5.806 -9.948 4.589
271 HH22 ARG 34 2HH2 ARG 34 -5.192 -11.523 4.217
Start of MODEL 10
1 H1 SER 1 H SER 1 0.734 -0.254 1.897
2 HA SER 1 HA SER 1 2.993 0.145 0.284
3 HB2 SER 1 2HB SER 1 1.975 -2.627 0.525
4 HB3 SER 1 3HB SER 1 3.576 -1.978 0.878
5 HG SER 1 HG SER 1 3.009 -1.709 2.884
6 H CYS 2 H CYS 2 -0.027 0.277 -0.762
7 HA CYS 2 HA CYS 2 0.705 -0.632 -3.444
8 HB2 CYS 2 2HB CYS 2 -1.937 -1.339 -2.152
9 HB3 CYS 2 3HB CYS 2 -1.413 -1.773 -3.776
10 H THR 3 H THR 3 -2.076 0.741 -1.677
11 HA THR 3 HA THR 3 -2.935 2.364 -3.823
12 HB THR 3 HB THR 3 -3.489 2.863 -0.895
13 HG1 THR 3 HG1 THR 3 -4.386 0.874 -2.640
14 HG21 THR 3 3HG2 THR 3 -5.230 3.397 -3.297
15 HG22 THR 3 1HG2 THR 3 -4.149 4.602 -2.599
16 HG23 THR 3 2HG2 THR 3 -5.476 3.946 -1.640
17 H CYS 4 H CYS 4 -1.195 3.559 -4.604
18 HA CYS 4 HA CYS 4 0.466 5.182 -2.985
19 HB2 CYS 4 2HB CYS 4 -0.005 4.809 -5.884
20 HB3 CYS 4 3HB CYS 4 0.664 6.366 -5.407
21 H ARG 5 H ARG 5 -0.895 6.392 -1.635
22 HA ARG 5 HA ARG 5 -2.095 8.722 -2.957
23 HB2 ARG 5 2HB ARG 5 -4.076 8.627 -1.664
24 HB3 ARG 5 3HB ARG 5 -3.840 7.004 -2.297
25 HG2 ARG 5 2HG ARG 5 -2.716 6.477 -0.072
26 HG3 ARG 5 3HG ARG 5 -3.410 7.997 0.497
27 HD2 ARG 5 2HD ARG 5 -4.972 5.706 -0.689
28 HD3 ARG 5 3HD ARG 5 -4.817 6.044 1.034
29 HE ARG 5 HE ARG 5 -5.845 8.242 -0.519
30 HH11 ARG 5 1HH1 ARG 5 -6.628 5.363 1.275
31 HH12 ARG 5 2HH1 ARG 5 -8.259 5.852 1.600
32 HH21 ARG 5 1HH2 ARG 5 -7.990 8.897 -0.098
33 HH22 ARG 5 2HH2 ARG 5 -9.032 7.861 0.818
34 H ARG 6 H ARG 6 -2.586 10.479 -1.306
35 HA ARG 6 HA ARG 6 -0.473 10.515 0.749
36 HB2 ARG 6 2HB ARG 6 -0.960 13.164 0.192
37 HB3 ARG 6 3HB ARG 6 0.385 12.219 -0.433
38 HG2 ARG 6 2HG ARG 6 -0.845 11.727 -2.451
39 HG3 ARG 6 3HG ARG 6 -2.267 12.558 -1.816
40 HD2 ARG 6 2HD ARG 6 -0.642 14.582 -1.594
41 HD3 ARG 6 3HD ARG 6 0.331 13.693 -2.765
42 HE ARG 6 HE ARG 6 -2.333 13.857 -3.671
43 HH11 ARG 6 1HH1 ARG 6 0.497 15.830 -3.202
44 HH12 ARG 6 2HH1 ARG 6 0.093 16.940 -4.469
45 HH21 ARG 6 1HH2 ARG 6 -2.875 15.311 -5.342
46 HH22 ARG 6 2HH2 ARG 6 -1.826 16.644 -5.686
47 H ALA 7 H ALA 7 -1.719 9.970 2.497
48 HA ALA 7 HA ALA 7 -3.531 12.036 3.448
49 HB1 ALA 7 1HB ALA 7 -4.570 9.758 2.225
50 HB2 ALA 7 2HB ALA 7 -4.751 9.473 3.957
51 HB3 ALA 7 3HB ALA 7 -5.441 10.922 3.225
52 H TRP 8 H TRP 8 -4.392 11.270 5.728
53 HA TRP 8 HA TRP 8 -2.004 10.522 7.234
54 HB2 TRP 8 2HB TRP 8 -4.077 12.394 7.644
55 HB3 TRP 8 3HB TRP 8 -4.256 11.175 8.903
56 HD1 TRP 8 HD1 TRP 8 -1.758 13.796 7.618
57 HE1 TRP 8 HE1 TRP 8 -0.087 14.320 9.505
58 HE3 TRP 8 HE3 TRP 8 -3.217 10.253 11.002
59 HZ2 TRP 8 HZ2 TRP 8 0.531 13.358 12.086
60 HZ3 TRP 8 HZ3 TRP 8 -2.035 10.121 13.156
61 HH2 TRP 8 HH2 TRP 8 -0.200 11.641 13.684
62 H ILE 9 H ILE 9 -5.091 9.286 6.328
63 HA ILE 9 HA ILE 9 -4.653 6.959 8.082
64 HB ILE 9 HB ILE 9 -7.089 6.623 8.147
65 HG12 ILE 9 2HG1 ILE 9 -8.345 8.893 7.510
66 HG13 ILE 9 3HG1 ILE 9 -7.017 9.004 6.359
67 HG21 ILE 9 1HG2 ILE 9 -7.340 7.951 9.957
68 HG22 ILE 9 2HG2 ILE 9 -5.628 8.270 9.682
69 HG23 ILE 9 3HG2 ILE 9 -6.842 9.406 9.094
70 HD11 ILE 9 3HD1 ILE 9 -9.275 7.850 5.720
71 HD12 ILE 9 1HD1 ILE 9 -7.735 7.205 5.153
72 HD13 ILE 9 2HD1 ILE 9 -8.548 6.463 6.532
73 H CYS 10 H CYS 10 -6.132 5.061 7.202
74 HA CYS 10 HA CYS 10 -5.649 4.870 4.300
75 HB2 CYS 10 2HB CYS 10 -5.615 2.535 6.211
76 HB3 CYS 10 3HB CYS 10 -5.052 2.578 4.544
77 H ARG 11 H ARG 11 -7.045 3.250 3.195
78 HA ARG 11 HA ARG 11 -9.725 3.837 3.443
79 HB2 ARG 11 2HB ARG 11 -8.439 1.343 2.319
80 HB3 ARG 11 3HB ARG 11 -10.127 1.777 2.088
81 HG2 ARG 11 2HG ARG 11 -7.880 3.587 1.263
82 HG3 ARG 11 3HG ARG 11 -8.525 2.331 0.205
83 HD2 ARG 11 2HD ARG 11 -10.183 4.508 1.470
84 HD3 ARG 11 3HD ARG 11 -9.516 4.590 -0.160
85 HE ARG 11 HE ARG 11 -11.015 2.218 0.159
86 HH11 ARG 11 1HH1 ARG 11 -11.396 5.660 -0.190
87 HH12 ARG 11 2HH1 ARG 11 -12.962 5.544 -0.923
88 HH21 ARG 11 1HH2 ARG 11 -13.075 2.051 -0.805
89 HH22 ARG 11 2HH2 ARG 11 -13.916 3.491 -1.271
90 H TRP 12 H TRP 12 -8.544 0.552 4.113
91 HA TRP 12 HA TRP 12 -9.509 0.412 6.757
92 HB2 TRP 12 2HB TRP 12 -11.477 -0.017 4.653
93 HB3 TRP 12 3HB TRP 12 -11.325 -1.416 5.713
94 HD1 TRP 12 HD1 TRP 12 -13.249 1.636 5.439
95 HE1 TRP 12 HE1 TRP 12 -14.271 2.324 7.699
96 HE3 TRP 12 HE3 TRP 12 -10.472 -1.345 8.526
97 HZ2 TRP 12 HZ2 TRP 12 -13.942 1.688 10.430
98 HZ3 TRP 12 HZ3 TRP 12 -10.887 -1.245 10.950
99 HH2 TRP 12 HH2 TRP 12 -12.586 0.241 11.880
100 H GLY 13 H GLY 13 -8.644 -1.326 7.747
101 HA2 GLY 13 2HA GLY 13 -7.315 -3.182 8.010
102 HA3 GLY 13 3HA GLY 13 -8.334 -3.887 6.764
103 H GLU 14 H GLU 14 -6.125 -1.147 6.431
104 HA GLU 14 HA GLU 14 -4.854 -2.473 4.186
105 HB2 GLU 14 2HB GLU 14 -4.377 0.276 5.351
106 HB3 GLU 14 3HB GLU 14 -3.714 -0.327 3.839
107 HG2 GLU 14 2HG GLU 14 -6.385 -0.731 3.480
108 HG3 GLU 14 3HG GLU 14 -6.361 0.749 4.437
109 H ARG 15 H ARG 15 -2.569 -2.734 3.989
110 HA ARG 15 HA ARG 15 -1.356 -3.742 6.371
111 HB2 ARG 15 2HB ARG 15 0.073 -3.270 3.765
112 HB3 ARG 15 3HB ARG 15 0.404 -4.491 4.986
113 HG2 ARG 15 2HG ARG 15 -1.973 -4.393 3.140
114 HG3 ARG 15 3HG ARG 15 -0.611 -5.512 3.056
115 HD2 ARG 15 2HD ARG 15 -1.319 -6.094 5.503
116 HD3 ARG 15 3HD ARG 15 -2.865 -5.403 5.012
117 HE ARG 15 HE ARG 15 -3.242 -7.249 3.704
118 HH11 ARG 15 1HH1 ARG 15 0.101 -7.181 4.673
119 HH12 ARG 15 2HH1 ARG 15 0.443 -8.769 4.072
120 HH21 ARG 15 1HH2 ARG 15 -2.804 -9.341 2.908
121 HH22 ARG 15 2HH2 ARG 15 -1.210 -9.997 3.067
122 H HIS 16 H HIS 16 -0.484 -1.097 4.143
123 HA HIS 16 HA HIS 16 0.736 0.800 4.435
124 HB2 HIS 16 2HB HIS 16 -0.791 1.628 5.982
125 HB3 HIS 16 3HB HIS 16 -0.438 0.366 7.158
126 HD1 HIS 16 HD1 HIS 16 0.578 1.404 9.148
127 HD2 HIS 16 HD2 HIS 16 1.917 3.178 5.638
128 HE1 HIS 16 HE1 HIS 16 2.253 3.137 9.867
129 H SER 17 H SER 17 2.811 0.340 3.977
130 HA SER 17 HA SER 17 4.740 0.251 6.020
131 HB2 SER 17 2HB SER 17 5.601 -2.017 5.774
132 HB3 SER 17 3HB SER 17 3.912 -2.074 6.276
133 HG SER 17 HG SER 17 5.026 -3.168 4.129
134 H GLY 18 H GLY 18 4.620 1.916 3.981
135 HA2 GLY 18 2HA GLY 18 6.897 2.316 2.819
136 HA3 GLY 18 3HA GLY 18 6.423 0.902 1.889
137 H LYS 19 H LYS 19 6.922 3.718 1.082
138 HA LYS 19 HA LYS 19 4.354 4.156 -0.285
139 HB2 LYS 19 2HB LYS 19 4.679 6.573 -0.117
140 HB3 LYS 19 3HB LYS 19 4.606 5.839 1.479
141 HG2 LYS 19 2HG LYS 19 7.253 6.308 0.184
142 HG3 LYS 19 3HG LYS 19 6.397 7.643 0.957
143 HD2 LYS 19 2HD LYS 19 6.174 5.910 2.931
144 HD3 LYS 19 3HD LYS 19 7.591 5.193 2.161
145 HE2 LYS 19 2HE LYS 19 7.494 8.127 2.752
146 HE3 LYS 19 3HE LYS 19 7.918 6.973 4.016
147 HZ1 LYS 19 3HZ LYS 19 9.511 7.954 1.882
148 HZ2 LYS 19 1HZ LYS 19 9.430 6.265 1.828
149 HZ3 LYS 19 2HZ LYS 19 9.974 7.041 3.229
150 H CYS 20 H CYS 20 4.553 5.363 -2.318
151 HA CYS 20 HA CYS 20 6.990 4.571 -3.725
152 HB2 CYS 20 2HB CYS 20 5.684 5.026 -5.778
153 HB3 CYS 20 3HB CYS 20 4.894 3.854 -4.727
154 H ILE 21 H ILE 21 7.196 6.259 -5.776
155 HA ILE 21 HA ILE 21 7.393 8.954 -4.616
156 HB ILE 21 HB ILE 21 9.608 7.699 -4.629
157 HG12 ILE 21 2HG1 ILE 21 9.869 10.117 -6.356
158 HG13 ILE 21 3HG1 ILE 21 9.087 10.302 -4.790
159 HG21 ILE 21 1HG2 ILE 21 9.118 6.731 -6.940
160 HG22 ILE 21 2HG2 ILE 21 9.613 8.302 -7.569
161 HG23 ILE 21 3HG2 ILE 21 10.751 7.325 -6.641
162 HD11 ILE 21 3HD1 ILE 21 11.051 10.360 -3.785
163 HD12 ILE 21 1HD1 ILE 21 11.490 8.796 -4.472
164 HD13 ILE 21 2HD1 ILE 21 11.831 10.279 -5.364
165 H ASP 22 H ASP 22 5.570 7.575 -6.575
166 HA ASP 22 HA ASP 22 6.130 8.672 -9.150
167 HB2 ASP 22 2HB ASP 22 4.757 6.727 -9.085
168 HB3 ASP 22 3HB ASP 22 3.652 7.462 -7.925
169 H GLN 23 H GLN 23 3.401 9.383 -6.965
170 HA GLN 23 HA GLN 23 2.689 11.789 -8.199
171 HB2 GLN 23 2HB GLN 23 1.432 12.258 -6.110
172 HB3 GLN 23 3HB GLN 23 1.143 10.643 -6.742
173 HG2 GLN 23 2HG GLN 23 3.314 10.453 -4.955
174 HG3 GLN 23 3HG GLN 23 2.072 11.426 -4.168
175 HE21 GLN 23 1HE2 GLN 23 0.299 10.454 -3.385
176 HE22 GLN 23 2HE2 GLN 23 -0.042 8.767 -3.527
177 H LYS 24 H LYS 24 5.223 11.055 -5.991
178 HA LYS 24 HA LYS 24 6.900 12.303 -5.096
179 HB2 LYS 24 2HB LYS 24 5.964 14.571 -6.851
180 HB3 LYS 24 3HB LYS 24 7.580 14.300 -6.211
181 HG2 LYS 24 2HG LYS 24 7.337 12.056 -7.610
182 HG3 LYS 24 3HG LYS 24 6.224 13.067 -8.535
183 HD2 LYS 24 2HD LYS 24 9.006 13.969 -7.832
184 HD3 LYS 24 3HD LYS 24 8.659 13.034 -9.288
185 HE2 LYS 24 2HE LYS 24 6.797 15.199 -9.065
186 HE3 LYS 24 3HE LYS 24 8.442 15.818 -8.917
187 HZ1 LYS 24 3HZ LYS 24 8.838 15.440 -11.062
188 HZ2 LYS 24 1HZ LYS 24 7.166 15.256 -11.244
189 HZ3 LYS 24 2HZ LYS 24 8.148 13.896 -11.027
190 H GLY 25 H GLY 25 5.155 12.134 -3.290
191 HA2 GLY 25 2HA GLY 25 3.918 14.653 -2.574
192 HA3 GLY 25 3HA GLY 25 3.847 13.155 -1.658
193 H SER 26 H SER 26 4.282 14.199 0.296
194 HA SER 26 HA SER 26 6.810 15.627 0.560
195 HB2 SER 26 2HB SER 26 4.393 15.277 2.301
196 HB3 SER 26 3HB SER 26 5.919 15.786 3.022
197 HG SER 26 HG SER 26 4.448 17.083 0.976
198 H THR 27 H THR 27 5.254 13.304 2.754
199 HA THR 27 HA THR 27 7.426 11.431 2.564
200 HB THR 27 HB THR 27 7.151 12.358 5.353
201 HG1 THR 27 HG1 THR 27 7.735 14.345 4.959
202 HG21 THR 27 3HG2 THR 27 9.832 12.226 4.468
203 HG22 THR 27 1HG2 THR 27 8.977 10.877 3.722
204 HG23 THR 27 2HG2 THR 27 8.963 11.068 5.475
205 H TYR 28 H TYR 28 4.633 11.258 2.186
206 HA TYR 28 HA TYR 28 3.179 10.319 4.371
207 HB2 TYR 28 2HB TYR 28 1.890 9.011 2.569
208 HB3 TYR 28 3HB TYR 28 1.938 10.765 2.429
209 HD1 TYR 28 HD2 TYR 28 4.936 8.883 1.602
210 HD2 TYR 28 HD1 TYR 28 1.348 10.553 0.041
211 HE1 TYR 28 HE2 TYR 28 5.837 8.673 -0.677
212 HE2 TYR 28 HE1 TYR 28 2.238 10.347 -2.243
213 HH TYR 28 HH TYR 28 4.160 8.649 -3.321
214 H ARG 29 H ARG 29 2.274 7.851 4.059
215 HA ARG 29 HA ARG 29 4.658 6.126 4.216
216 HB2 ARG 29 2HB ARG 29 3.281 4.787 5.894
217 HB3 ARG 29 3HB ARG 29 3.912 6.334 6.442
218 HG2 ARG 29 2HG ARG 29 1.192 6.319 5.274
219 HG3 ARG 29 3HG ARG 29 1.403 5.580 6.863
220 HD2 ARG 29 2HD ARG 29 2.727 7.796 7.356
221 HD3 ARG 29 3HD ARG 29 1.762 8.416 6.018
222 HE ARG 29 HE ARG 29 -0.101 7.277 7.579
223 HH11 ARG 29 1HH1 ARG 29 2.497 9.488 8.275
224 HH12 ARG 29 2HH1 ARG 29 1.670 10.250 9.593
225 HH21 ARG 29 1HH2 ARG 29 -1.201 8.273 9.312
226 HH22 ARG 29 2HH2 ARG 29 -0.433 9.558 10.182
227 H LEU 30 H LEU 30 1.450 6.580 3.023
228 HA LEU 30 HA LEU 30 0.262 5.480 1.422
229 HB2 LEU 30 2HB LEU 30 2.938 4.779 0.913
230 HB3 LEU 30 3HB LEU 30 2.008 3.285 0.818
231 HG LEU 30 HG LEU 30 0.467 4.605 -0.776
232 HD11 LEU 30 1HD1 LEU 30 2.804 6.188 -1.580
233 HD12 LEU 30 2HD1 LEU 30 2.031 6.706 -0.082
234 HD13 LEU 30 3HD1 LEU 30 1.091 6.608 -1.571
235 HD21 LEU 30 3HD2 LEU 30 2.732 3.000 -1.147
236 HD22 LEU 30 1HD2 LEU 30 2.886 4.325 -2.300
237 HD23 LEU 30 2HD2 LEU 30 1.438 3.318 -2.303
238 H CYS 31 H CYS 31 -0.862 3.408 1.022
239 HA CYS 31 HA CYS 31 -0.639 1.432 3.154
240 HB2 CYS 31 2HB CYS 31 -3.235 2.867 2.555
241 HB3 CYS 31 3HB CYS 31 -3.023 1.543 3.696
242 H CYS 32 H CYS 32 -1.400 -0.595 2.603
243 HA CYS 32 HA CYS 32 -2.025 -0.941 -0.243
244 HB2 CYS 32 2HB CYS 32 -0.047 -2.134 0.712
245 HB3 CYS 32 3HB CYS 32 -1.143 -3.029 1.760
246 H ARG 33 H ARG 33 -3.759 -2.198 -0.933
247 HA ARG 33 HA ARG 33 -5.609 -3.253 1.050
248 HB2 ARG 33 2HB ARG 33 -7.514 -2.017 0.229
249 HB3 ARG 33 3HB ARG 33 -6.265 -0.880 0.720
250 HG2 ARG 33 2HG ARG 33 -5.596 -0.665 -1.657
251 HG3 ARG 33 3HG ARG 33 -6.960 -1.697 -2.091
252 HD2 ARG 33 2HD ARG 33 -8.046 0.260 -0.438
253 HD3 ARG 33 3HD ARG 33 -6.902 1.125 -1.463
254 HE ARG 33 HE ARG 33 -9.382 -0.080 -2.267
255 HH11 ARG 33 1HH1 ARG 33 -6.227 0.944 -3.323
256 HH12 ARG 33 2HH1 ARG 33 -6.701 1.141 -4.978
257 HH21 ARG 33 1HH2 ARG 33 -10.019 0.176 -4.442
258 HH22 ARG 33 2HH2 ARG 33 -8.859 0.705 -5.613
259 H ARG 34 H ARG 34 -6.426 -5.128 0.381
260 HA ARG 34 HA ARG 34 -6.829 -5.612 -2.469
261 HB2 ARG 34 2HB ARG 34 -5.669 -7.778 -2.370
262 HB3 ARG 34 3HB ARG 34 -4.575 -6.438 -2.054
263 HG2 ARG 34 2HG ARG 34 -4.297 -7.002 0.150
264 HG3 ARG 34 3HG ARG 34 -5.854 -7.825 0.247
265 HD2 ARG 34 2HD ARG 34 -4.025 -9.051 -1.662
266 HD3 ARG 34 3HD ARG 34 -3.395 -9.034 -0.015
267 HE ARG 34 HE ARG 34 -5.961 -9.940 0.233
268 HH11 ARG 34 1HH1 ARG 34 -3.156 -10.921 -1.580
269 HH12 ARG 34 2HH1 ARG 34 -3.581 -12.600 -1.579
270 HH21 ARG 34 1HH2 ARG 34 -6.532 -12.148 0.242
271 HH22 ARG 34 2HH2 ARG 34 -5.502 -13.297 -0.543
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