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 |
|
|
566030 |
2m1a   |
18852 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 1.636 0.792 0.548
2 H2 GLY 1 H2 GLY 1 1.606 -0.848 0.474
3 H3 GLY 1 H3 GLY 1 0.365 0.141 -0.263
4 HA2 GLY 1 HA2 GLY 1 2.622 -0.936 -1.321
5 HA3 GLY 1 HA3 GLY 1 1.360 0.070 -2.071
6 H ALA 2 H ALA 2 3.814 0.412 -3.069
7 HA ALA 2 HA ALA 2 5.310 2.452 -1.653
8 HB1 ALA 2 HB1 ALA 2 5.432 1.555 -4.553
9 HB2 ALA 2 HB2 ALA 2 6.634 2.567 -3.718
10 HB3 ALA 2 HB3 ALA 2 6.387 0.879 -3.212
11 H MET 3 H MET 3 2.981 2.442 -4.358
12 HA MET 3 HA MET 3 3.190 5.321 -4.752
13 HB2 MET 3 HB2 MET 3 0.995 3.432 -5.617
14 HB3 MET 3 HB3 MET 3 1.376 5.037 -6.286
15 HG2 MET 3 HG2 MET 3 3.622 4.104 -6.962
16 HG3 MET 3 HG3 MET 3 3.010 2.497 -6.504
17 HE1 MET 3 HE1 MET 3 3.129 5.293 -9.150
18 HE2 MET 3 HE2 MET 3 1.653 5.040 -10.112
19 HE3 MET 3 HE3 MET 3 1.534 5.652 -8.445
20 H ALA 4 H ALA 4 1.265 3.183 -2.742
21 HA ALA 4 HA ALA 4 -0.931 4.814 -2.186
22 HB1 ALA 4 HB1 ALA 4 0.619 3.060 -0.246
23 HB2 ALA 4 HB2 ALA 4 -1.050 3.641 -0.030
24 HB3 ALA 4 HB3 ALA 4 -0.665 2.511 -1.350
25 H THR 5 H THR 5 2.385 5.064 -0.949
26 HA THR 5 HA THR 5 1.741 7.114 1.013
27 HB THR 5 HB THR 5 4.230 7.468 1.019
28 HG1 THR 5 HG1 THR 5 5.467 5.962 -0.231
29 HG21 THR 5 HG21 THR 5 3.327 4.566 1.217
30 HG22 THR 5 HG22 THR 5 4.797 5.250 1.951
31 HG23 THR 5 HG23 THR 5 3.193 5.787 2.505
32 H ARG 6 H ARG 6 2.825 7.135 -2.366
33 HA ARG 6 HA ARG 6 3.446 9.898 -2.534
34 HB2 ARG 6 HB2 ARG 6 3.744 7.936 -4.219
35 HB3 ARG 6 HB3 ARG 6 2.109 8.386 -4.756
36 HG2 ARG 6 HG2 ARG 6 3.371 9.655 -6.200
37 HG3 ARG 6 HG3 ARG 6 3.161 10.807 -4.860
38 HD2 ARG 6 HD2 ARG 6 5.440 10.976 -5.178
39 HD3 ARG 6 HD3 ARG 6 5.390 9.660 -3.981
40 HE ARG 6 HE ARG 6 5.285 8.366 -6.413
41 HH11 ARG 6 HH11 ARG 6 7.434 10.707 -4.915
42 HH12 ARG 6 HH12 ARG 6 8.853 10.133 -5.768
43 HH21 ARG 6 HH21 ARG 6 7.129 7.626 -7.514
44 HH22 ARG 6 HH22 ARG 6 8.681 8.392 -7.237
45 H GLN 7 H GLN 7 0.385 8.290 -3.540
46 HA GLN 7 HA GLN 7 -1.016 10.772 -3.873
47 HB2 GLN 7 HB2 GLN 7 -1.572 8.493 -4.837
48 HB3 GLN 7 HB3 GLN 7 -2.216 8.078 -3.230
49 HG2 GLN 7 HG2 GLN 7 -4.042 8.774 -4.676
50 HG3 GLN 7 HG3 GLN 7 -3.790 9.990 -3.401
51 HE21 GLN 7 HE22 GLN 7 -2.984 9.212 -6.800
52 HE22 GLN 7 HE21 GLN 7 -2.918 10.877 -7.346
53 H ALA 8 H ALA 8 -0.375 8.751 -1.078
54 HA ALA 8 HA ALA 8 -2.456 9.707 0.597
55 HB1 ALA 8 HB1 ALA 8 0.351 8.808 1.339
56 HB2 ALA 8 HB2 ALA 8 -1.035 8.937 2.448
57 HB3 ALA 8 HB3 ALA 8 -1.061 7.746 1.126
58 H ARG 9 H ARG 9 0.800 11.000 -0.065
59 HA ARG 9 HA ARG 9 0.889 13.009 1.895
60 HB2 ARG 9 HB2 ARG 9 2.596 12.262 0.082
61 HB3 ARG 9 HB3 ARG 9 1.801 13.497 -0.923
62 HG2 ARG 9 HG2 ARG 9 3.576 14.678 0.007
63 HG3 ARG 9 HG3 ARG 9 2.229 15.074 1.100
64 HD2 ARG 9 HD2 ARG 9 4.106 14.561 2.489
65 HD3 ARG 9 HD3 ARG 9 3.010 13.161 2.573
66 HE ARG 9 HE ARG 9 4.907 12.729 0.502
67 HH11 ARG 9 HH11 ARG 9 4.686 12.946 4.001
68 HH12 ARG 9 HH12 ARG 9 6.039 11.865 4.274
69 HH21 ARG 9 HH21 ARG 9 6.659 11.330 0.865
70 HH22 ARG 9 HH22 ARG 9 7.153 10.952 2.503
71 H ARG 10 H ARG 10 -1.002 12.866 -1.069
72 HA ARG 10 HA ARG 10 -1.758 15.703 -0.884
73 HB2 ARG 10 HB2 ARG 10 -2.608 13.400 -2.644
74 HB3 ARG 10 HB3 ARG 10 -3.326 15.026 -2.735
75 HG2 ARG 10 HG2 ARG 10 -1.409 15.975 -3.617
76 HG3 ARG 10 HG3 ARG 10 -0.347 14.724 -2.928
77 HD2 ARG 10 HD2 ARG 10 -0.801 13.207 -4.628
78 HD3 ARG 10 HD3 ARG 10 -2.370 13.951 -5.014
79 HE ARG 10 HE ARG 10 -0.232 15.767 -5.589
80 HH11 ARG 10 HH11 ARG 10 -1.798 12.842 -6.744
81 HH12 ARG 10 HH12 ARG 10 -1.362 13.124 -8.418
82 HH21 ARG 10 HH21 ARG 10 0.326 16.128 -7.762
83 HH22 ARG 10 HH22 ARG 10 -0.162 14.981 -8.994
84 H ASN 11 H ASN 11 -2.998 12.576 0.131
85 HA ASN 11 HA ASN 11 -5.713 13.382 0.576
86 HB2 ASN 11 HB2 ASN 11 -3.931 11.188 1.631
87 HB3 ASN 11 HB3 ASN 11 -5.555 11.447 2.310
88 HD21 ASN 11 HD22 ASN 11 -4.217 11.624 -1.022
89 HD22 ASN 11 HD21 ASN 11 -5.353 10.485 -1.717
90 H ARG 12 H ARG 12 -2.854 13.335 2.733
91 HA ARG 12 HA ARG 12 -4.248 14.287 5.042
92 HB2 ARG 12 HB2 ARG 12 -1.351 14.629 4.241
93 HB3 ARG 12 HB3 ARG 12 -2.027 14.877 5.868
94 HG2 ARG 12 HG2 ARG 12 -2.389 12.228 4.502
95 HG3 ARG 12 HG3 ARG 12 -0.819 12.619 5.242
96 HD2 ARG 12 HD2 ARG 12 -2.187 13.247 7.343
97 HD3 ARG 12 HD3 ARG 12 -3.527 12.370 6.567
98 HE ARG 12 HE ARG 12 -2.520 10.399 7.168
99 HH11 ARG 12 HH11 ARG 12 -0.117 12.961 7.143
100 HH12 ARG 12 HH12 ARG 12 1.159 11.937 7.771
101 HH21 ARG 12 HH21 ARG 12 -0.863 9.078 7.986
102 HH22 ARG 12 HH22 ARG 12 0.738 9.742 8.248
103 H ARG 13 H ARG 13 -2.682 15.965 2.329
104 HA ARG 13 HA ARG 13 -2.924 18.593 3.516
105 HB2 ARG 13 HB2 ARG 13 -2.529 17.609 0.687
106 HB3 ARG 13 HB3 ARG 13 -2.570 19.330 1.137
107 HG2 ARG 13 HG2 ARG 13 -0.618 19.063 2.542
108 HG3 ARG 13 HG3 ARG 13 -0.622 17.303 2.276
109 HD2 ARG 13 HD2 ARG 13 0.073 17.517 0.039
110 HD3 ARG 13 HD3 ARG 13 -0.408 19.228 -0.042
111 HE ARG 13 HE ARG 13 1.656 18.854 1.908
112 HH11 ARG 13 HH11 ARG 13 1.068 18.968 -1.555
113 HH12 ARG 13 HH12 ARG 13 2.691 19.509 -1.936
114 HH21 ARG 13 HH21 ARG 13 3.758 19.558 1.405
115 HH22 ARG 13 HH22 ARG 13 4.210 19.842 -0.264
116 H ARG 14 H ARG 14 -4.976 16.611 1.402
117 HA ARG 14 HA ARG 14 -6.868 18.757 0.893
118 HB2 ARG 14 HB2 ARG 14 -6.415 16.650 -0.489
119 HB3 ARG 14 HB3 ARG 14 -7.397 15.796 0.725
120 HG2 ARG 14 HG2 ARG 14 -9.314 17.199 0.218
121 HG3 ARG 14 HG3 ARG 14 -8.341 18.170 -0.912
122 HD2 ARG 14 HD2 ARG 14 -7.923 15.731 -1.974
123 HD3 ARG 14 HD3 ARG 14 -9.521 15.448 -1.243
124 HE ARG 14 HE ARG 14 -8.898 17.114 -3.550
125 HH11 ARG 14 HH11 ARG 14 -11.162 16.461 -0.943
126 HH12 ARG 14 HH12 ARG 14 -12.522 17.182 -1.781
127 HH21 ARG 14 HH21 ARG 14 -10.666 18.046 -4.630
128 HH22 ARG 14 HH22 ARG 14 -12.243 18.077 -3.864
129 H ARG 15 H ARG 15 -6.696 16.024 3.183
130 HA ARG 15 HA ARG 15 -9.268 16.214 4.290
131 HB2 ARG 15 HB2 ARG 15 -7.167 14.664 4.756
132 HB3 ARG 15 HB3 ARG 15 -6.923 15.816 6.090
133 HG2 ARG 15 HG2 ARG 15 -9.277 15.357 6.819
134 HG3 ARG 15 HG3 ARG 15 -9.360 14.084 5.578
135 HD2 ARG 15 HD2 ARG 15 -7.395 12.976 6.657
136 HD3 ARG 15 HD3 ARG 15 -7.458 14.201 7.947
137 HE ARG 15 HE ARG 15 -10.013 13.024 7.754
138 HH11 ARG 15 HH11 ARG 15 -6.719 12.140 8.594
139 HH12 ARG 15 HH12 ARG 15 -7.212 10.888 9.718
140 HH21 ARG 15 HH21 ARG 15 -10.644 11.400 9.214
141 HH22 ARG 15 HH22 ARG 15 -9.429 10.470 10.068
142 H TRP 16 H TRP 16 -6.391 18.197 4.957
143 HA TRP 16 HA TRP 16 -7.726 19.667 7.100
144 HB2 TRP 16 HB2 TRP 16 -5.101 20.005 5.600
145 HB3 TRP 16 HB3 TRP 16 -5.666 21.171 6.820
146 HD1 TRP 16 HD1 TRP 16 -3.393 18.652 6.573
147 HE1 TRP 16 HE1 TRP 16 -2.939 17.357 8.904
148 HE3 TRP 16 HE3 TRP 16 -7.559 20.149 9.078
149 HZ2 TRP 16 HZ2 TRP 16 -4.257 17.127 11.317
150 HZ3 TRP 16 HZ3 TRP 16 -7.944 19.408 11.335
151 HH2 TRP 16 HH2 TRP 16 -6.337 17.908 12.503
152 H ARG 17 H ARG 17 -7.275 20.038 3.622
153 HA ARG 17 HA ARG 17 -7.937 22.795 3.412
154 HB2 ARG 17 HB2 ARG 17 -7.149 20.937 1.680
155 HB3 ARG 17 HB3 ARG 17 -8.899 20.851 1.369
156 HG2 ARG 17 HG2 ARG 17 -7.389 23.468 1.340
157 HG3 ARG 17 HG3 ARG 17 -7.499 22.431 -0.102
158 HD2 ARG 17 HD2 ARG 17 -10.066 22.472 0.371
159 HD3 ARG 17 HD3 ARG 17 -9.690 23.903 1.361
160 HE ARG 17 HE ARG 17 -8.459 24.460 -1.016
161 HH11 ARG 17 HH11 ARG 17 -11.704 23.447 -0.128
162 HH12 ARG 17 HH12 ARG 17 -12.462 24.278 -1.472
163 HH21 ARG 17 HH21 ARG 17 -9.448 25.534 -2.755
164 HH22 ARG 17 HH22 ARG 17 -11.188 25.457 -2.956
165 H GLU 18 H GLU 18 -10.099 19.946 2.996
166 HA GLU 18 HA GLU 18 -12.484 21.528 2.858
167 HB2 GLU 18 HB2 GLU 18 -13.648 19.501 2.975
168 HB3 GLU 18 HB3 GLU 18 -12.140 19.143 2.099
169 HG2 GLU 18 HG2 GLU 18 -11.173 18.285 4.224
170 HG3 GLU 18 HG3 GLU 18 -12.754 18.532 5.002
171 H ARG 19 H ARG 19 -10.605 20.272 5.551
172 HA ARG 19 HA ARG 19 -12.624 20.504 7.564
173 HB2 ARG 19 HB2 ARG 19 -9.639 20.415 7.483
174 HB3 ARG 19 HB3 ARG 19 -10.438 20.949 8.981
175 HG2 ARG 19 HG2 ARG 19 -11.077 18.344 7.569
176 HG3 ARG 19 HG3 ARG 19 -9.869 18.486 8.868
177 HD2 ARG 19 HD2 ARG 19 -11.613 19.342 10.391
178 HD3 ARG 19 HD3 ARG 19 -12.819 19.186 9.092
179 HE ARG 19 HE ARG 19 -11.651 16.665 9.377
180 HH11 ARG 19 HH11 ARG 19 -13.475 18.928 11.350
181 HH12 ARG 19 HH12 ARG 19 -14.216 17.672 12.322
182 HH21 ARG 19 HH21 ARG 19 -12.615 15.042 10.642
183 HH22 ARG 19 HH22 ARG 19 -13.731 15.476 11.922
184 H GLN 20 H GLN 20 -10.389 22.862 6.137
185 HA GLN 20 HA GLN 20 -10.898 24.939 8.060
186 HB2 GLN 20 HB2 GLN 20 -9.088 24.606 6.137
187 HB3 GLN 20 HB3 GLN 20 -10.268 25.570 5.218
188 HG2 GLN 20 HG2 GLN 20 -10.086 27.404 6.739
189 HG3 GLN 20 HG3 GLN 20 -9.170 26.424 7.909
190 HE21 GLN 20 HE22 GLN 20 -7.033 25.571 7.134
191 HE22 GLN 20 HE21 GLN 20 -6.069 26.630 6.123
192 H ARG 21 H ARG 21 -12.654 23.770 5.265
193 HA ARG 21 HA ARG 21 -14.200 26.009 4.602
194 HB2 ARG 21 HB2 ARG 21 -14.126 23.530 3.715
195 HB3 ARG 21 HB3 ARG 21 -15.484 23.320 4.846
196 HG2 ARG 21 HG2 ARG 21 -16.390 25.491 3.633
197 HG3 ARG 21 HG3 ARG 21 -15.314 24.940 2.327
198 HD2 ARG 21 HD2 ARG 21 -16.491 22.620 2.739
199 HD3 ARG 21 HD3 ARG 21 -17.765 23.622 3.473
200 HE ARG 21 HE ARG 21 -17.151 24.749 0.969
201 HH11 ARG 21 HH11 ARG 21 -18.468 21.773 2.294
202 HH12 ARG 21 HH12 ARG 21 -19.467 21.448 0.891
203 HH21 ARG 21 HH21 ARG 21 -18.450 24.322 -0.845
204 HH22 ARG 21 HH22 ARG 21 -19.457 22.888 -0.882
205 H ALA 22 H ALA 22 -14.425 23.915 7.430
206 HA ALA 22 HA ALA 22 -17.012 24.761 8.277
207 HB1 ALA 22 HB1 ALA 22 -14.648 23.807 9.931
208 HB2 ALA 22 HB2 ALA 22 -16.342 23.883 10.471
209 HB3 ALA 22 HB3 ALA 22 -15.873 22.767 9.167
210 H ALA 23 H ALA 23 -13.753 26.062 8.922
211 HA ALA 23 HA ALA 23 -14.867 28.172 10.620
212 HB1 ALA 23 HB1 ALA 23 -12.058 27.742 9.543
213 HB2 ALA 23 HB2 ALA 23 -12.533 28.922 10.787
214 HB3 ALA 23 HB3 ALA 23 -12.668 27.179 11.117
215 H ALA 24 H ALA 24 -13.093 28.082 7.491
216 HA ALA 24 HA ALA 24 -13.365 30.817 6.901
217 HB1 ALA 24 HB1 ALA 24 -13.330 28.466 4.976
218 HB2 ALA 24 HB2 ALA 24 -12.984 30.162 4.565
219 HB3 ALA 24 HB3 ALA 24 -11.900 29.274 5.661
220 H ALA 25 H ALA 25 -15.591 28.115 6.180
221 HA ALA 25 HA ALA 25 -17.618 30.172 5.411
222 HB1 ALA 25 HB1 ALA 25 -17.416 27.256 4.584
223 HB2 ALA 25 HB2 ALA 25 -18.683 28.401 4.085
224 HB3 ALA 25 HB3 ALA 25 -16.998 28.658 3.571
225 H ARG 26 H ARG 26 -19.456 30.337 6.514
226 HA ARG 26 HA ARG 26 -19.774 28.660 8.908
227 HB2 ARG 26 HB2 ARG 26 -21.249 31.029 7.758
228 HB3 ARG 26 HB3 ARG 26 -21.803 30.149 9.201
229 HG2 ARG 26 HG2 ARG 26 -19.692 30.676 10.340
230 HG3 ARG 26 HG3 ARG 26 -19.125 31.544 8.894
231 HD2 ARG 26 HD2 ARG 26 -21.111 33.071 9.123
232 HD3 ARG 26 HD3 ARG 26 -21.484 32.269 10.668
233 HE ARG 26 HE ARG 26 -19.807 33.487 11.672
234 HH11 ARG 26 HH11 ARG 26 -19.376 33.542 8.186
235 HH12 ARG 26 HH12 ARG 26 -18.070 34.710 8.245
236 HH21 ARG 26 HH21 ARG 26 -18.115 35.000 11.740
237 HH22 ARG 26 HH22 ARG 26 -17.358 35.534 10.252
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 2.260 0.878 -2.956
2 H2 GLY 1 H2 GLY 1 1.890 -0.267 -1.839
3 H3 GLY 1 H3 GLY 1 2.903 -0.608 -3.224
4 HA2 GLY 1 HA2 GLY 1 3.564 0.101 -0.686
5 HA3 GLY 1 HA3 GLY 1 4.595 -0.246 -2.095
6 H ALA 2 H ALA 2 5.737 1.375 -2.983
7 HA ALA 2 HA ALA 2 5.806 3.932 -1.733
8 HB1 ALA 2 HB1 ALA 2 6.853 3.083 -4.457
9 HB2 ALA 2 HB2 ALA 2 7.326 4.547 -3.562
10 HB3 ALA 2 HB3 ALA 2 7.726 2.939 -2.913
11 H MET 3 H MET 3 3.923 2.683 -4.413
12 HA MET 3 HA MET 3 3.162 5.309 -5.421
13 HB2 MET 3 HB2 MET 3 1.652 4.118 -6.825
14 HB3 MET 3 HB3 MET 3 3.202 3.243 -6.788
15 HG2 MET 3 HG2 MET 3 2.157 1.774 -4.986
16 HG3 MET 3 HG3 MET 3 0.601 2.517 -5.429
17 HE1 MET 3 HE1 MET 3 -0.935 1.059 -6.709
18 HE2 MET 3 HE2 MET 3 -0.403 -0.456 -7.476
19 HE3 MET 3 HE3 MET 3 -0.082 -0.172 -5.748
20 H ALA 4 H ALA 4 1.997 3.122 -2.938
21 HA ALA 4 HA ALA 4 -0.625 4.287 -2.726
22 HB1 ALA 4 HB1 ALA 4 1.022 2.763 -0.677
23 HB2 ALA 4 HB2 ALA 4 -0.725 3.090 -0.584
24 HB3 ALA 4 HB3 ALA 4 -0.083 2.042 -1.871
25 H THR 5 H THR 5 2.521 5.023 -1.270
26 HA THR 5 HA THR 5 1.467 6.911 0.667
27 HB THR 5 HB THR 5 3.796 7.605 0.938
28 HG1 THR 5 HG1 THR 5 5.398 6.672 -0.447
29 HG21 THR 5 HG21 THR 5 3.576 4.591 0.547
30 HG22 THR 5 HG22 THR 5 4.816 5.427 1.511
31 HG23 THR 5 HG23 THR 5 3.110 5.486 2.013
32 H ARG 6 H ARG 6 2.300 7.098 -2.726
33 HA ARG 6 HA ARG 6 2.768 9.847 -3.010
34 HB2 ARG 6 HB2 ARG 6 2.446 7.718 -4.683
35 HB3 ARG 6 HB3 ARG 6 0.963 8.648 -5.005
36 HG2 ARG 6 HG2 ARG 6 2.086 10.369 -5.989
37 HG3 ARG 6 HG3 ARG 6 3.509 10.182 -4.937
38 HD2 ARG 6 HD2 ARG 6 2.761 8.378 -7.268
39 HD3 ARG 6 HD3 ARG 6 4.044 9.611 -7.275
40 HE ARG 6 HE ARG 6 4.692 7.980 -5.151
41 HH11 ARG 6 HH11 ARG 6 4.037 7.491 -8.569
42 HH12 ARG 6 HH12 ARG 6 5.103 6.105 -8.698
43 HH21 ARG 6 HH21 ARG 6 6.072 6.186 -5.329
44 HH22 ARG 6 HH22 ARG 6 6.252 5.368 -6.869
45 H GLN 7 H GLN 7 -0.432 8.232 -3.344
46 HA GLN 7 HA GLN 7 -1.829 10.774 -3.276
47 HB2 GLN 7 HB2 GLN 7 -2.650 8.755 -4.441
48 HB3 GLN 7 HB3 GLN 7 -2.845 7.955 -2.864
49 HG2 GLN 7 HG2 GLN 7 -4.698 9.197 -2.302
50 HG3 GLN 7 HG3 GLN 7 -4.191 10.594 -3.281
51 HE21 GLN 7 HE22 GLN 7 -5.444 10.988 -4.972
52 HE22 GLN 7 HE21 GLN 7 -6.323 9.787 -5.898
53 H ALA 8 H ALA 8 -0.793 8.443 -0.867
54 HA ALA 8 HA ALA 8 -2.547 9.091 1.226
55 HB1 ALA 8 HB1 ALA 8 0.414 8.427 1.391
56 HB2 ALA 8 HB2 ALA 8 -0.761 8.314 2.723
57 HB3 ALA 8 HB3 ALA 8 -0.916 7.247 1.307
58 H ARG 9 H ARG 9 0.626 10.607 0.479
59 HA ARG 9 HA ARG 9 0.435 12.585 2.538
60 HB2 ARG 9 HB2 ARG 9 2.009 12.249 0.011
61 HB3 ARG 9 HB3 ARG 9 2.032 13.809 0.866
62 HG2 ARG 9 HG2 ARG 9 2.726 11.147 2.143
63 HG3 ARG 9 HG3 ARG 9 3.926 12.267 1.456
64 HD2 ARG 9 HD2 ARG 9 2.965 14.040 3.017
65 HD3 ARG 9 HD3 ARG 9 2.081 12.720 3.819
66 HE ARG 9 HE ARG 9 4.715 11.876 3.774
67 HH11 ARG 9 HH11 ARG 9 2.976 14.682 4.975
68 HH12 ARG 9 HH12 ARG 9 4.090 14.957 6.300
69 HH21 ARG 9 HH21 ARG 9 6.154 12.238 5.494
70 HH22 ARG 9 HH22 ARG 9 5.885 13.577 6.594
71 H ARG 10 H ARG 10 -0.897 12.402 -0.711
72 HA ARG 10 HA ARG 10 -1.536 15.233 -0.876
73 HB2 ARG 10 HB2 ARG 10 -1.230 13.732 -2.828
74 HB3 ARG 10 HB3 ARG 10 -2.712 12.869 -2.352
75 HG2 ARG 10 HG2 ARG 10 -3.892 15.131 -2.519
76 HG3 ARG 10 HG3 ARG 10 -2.425 15.714 -3.340
77 HD2 ARG 10 HD2 ARG 10 -2.703 13.795 -4.971
78 HD3 ARG 10 HD3 ARG 10 -4.292 13.492 -4.230
79 HE ARG 10 HE ARG 10 -5.145 15.295 -5.379
80 HH11 ARG 10 HH11 ARG 10 -1.637 15.467 -5.350
81 HH12 ARG 10 HH12 ARG 10 -1.573 16.823 -6.460
82 HH21 ARG 10 HH21 ARG 10 -5.055 17.051 -6.816
83 HH22 ARG 10 HH22 ARG 10 -3.504 17.717 -7.288
84 H ASN 11 H ASN 11 -3.103 12.377 0.447
85 HA ASN 11 HA ASN 11 -5.728 13.607 0.653
86 HB2 ASN 11 HB2 ASN 11 -4.516 11.235 2.118
87 HB3 ASN 11 HB3 ASN 11 -6.241 11.674 2.082
88 HD21 ASN 11 HD22 ASN 11 -5.329 9.150 1.301
89 HD22 ASN 11 HD21 ASN 11 -5.577 8.971 -0.425
90 H ARG 12 H ARG 12 -2.993 13.110 2.904
91 HA ARG 12 HA ARG 12 -4.205 14.107 5.239
92 HB2 ARG 12 HB2 ARG 12 -1.423 13.967 4.171
93 HB3 ARG 12 HB3 ARG 12 -1.732 14.988 5.596
94 HG2 ARG 12 HG2 ARG 12 -1.130 12.949 6.548
95 HG3 ARG 12 HG3 ARG 12 -2.908 12.888 6.562
96 HD2 ARG 12 HD2 ARG 12 -2.886 11.551 4.495
97 HD3 ARG 12 HD3 ARG 12 -1.108 11.624 4.462
98 HE ARG 12 HE ARG 12 -1.608 10.534 6.907
99 HH11 ARG 12 HH11 ARG 12 -2.732 9.798 3.661
100 HH12 ARG 12 HH12 ARG 12 -2.918 8.085 3.983
101 HH21 ARG 12 HH21 ARG 12 -1.853 8.313 7.316
102 HH22 ARG 12 HH22 ARG 12 -2.422 7.246 6.047
103 H ARG 13 H ARG 13 -2.469 15.923 2.682
104 HA ARG 13 HA ARG 13 -2.917 18.482 3.953
105 HB2 ARG 13 HB2 ARG 13 -2.209 19.393 1.785
106 HB3 ARG 13 HB3 ARG 13 -1.083 18.177 2.434
107 HG2 ARG 13 HG2 ARG 13 -1.949 16.499 0.906
108 HG3 ARG 13 HG3 ARG 13 -3.186 17.634 0.315
109 HD2 ARG 13 HD2 ARG 13 -0.304 18.448 0.154
110 HD3 ARG 13 HD3 ARG 13 -0.909 17.246 -1.010
111 HE ARG 13 HE ARG 13 -2.699 19.459 -0.920
112 HH11 ARG 13 HH11 ARG 13 0.526 18.577 -1.995
113 HH12 ARG 13 HH12 ARG 13 0.547 19.754 -3.294
114 HH21 ARG 13 HH21 ARG 13 -2.666 20.980 -2.604
115 HH22 ARG 13 HH22 ARG 13 -1.257 21.112 -3.638
116 H ARG 14 H ARG 14 -4.785 16.454 1.788
117 HA ARG 14 HA ARG 14 -6.561 18.529 0.856
118 HB2 ARG 14 HB2 ARG 14 -6.128 16.167 -0.076
119 HB3 ARG 14 HB3 ARG 14 -7.268 15.622 1.177
120 HG2 ARG 14 HG2 ARG 14 -9.064 16.827 0.222
121 HG3 ARG 14 HG3 ARG 14 -7.976 17.796 -0.800
122 HD2 ARG 14 HD2 ARG 14 -7.710 16.118 -2.354
123 HD3 ARG 14 HD3 ARG 14 -7.958 14.824 -1.157
124 HE ARG 14 HE ARG 14 -10.227 14.871 -1.595
125 HH11 ARG 14 HH11 ARG 14 -8.681 17.729 -2.935
126 HH12 ARG 14 HH12 ARG 14 -10.110 18.239 -3.810
127 HH21 ARG 14 HH21 ARG 14 -12.074 15.542 -2.732
128 HH22 ARG 14 HH22 ARG 14 -12.027 17.005 -3.696
129 H ARG 15 H ARG 15 -6.831 16.091 3.474
130 HA ARG 15 HA ARG 15 -9.410 16.812 4.365
131 HB2 ARG 15 HB2 ARG 15 -6.979 15.709 5.761
132 HB3 ARG 15 HB3 ARG 15 -8.507 16.014 6.621
133 HG2 ARG 15 HG2 ARG 15 -9.681 14.428 5.266
134 HG3 ARG 15 HG3 ARG 15 -8.299 14.266 4.156
135 HD2 ARG 15 HD2 ARG 15 -6.959 13.257 5.950
136 HD3 ARG 15 HD3 ARG 15 -8.317 13.449 7.085
137 HE ARG 15 HE ARG 15 -9.020 11.920 4.725
138 HH11 ARG 15 HH11 ARG 15 -7.536 11.798 7.907
139 HH12 ARG 15 HH12 ARG 15 -7.866 10.091 8.130
140 HH21 ARG 15 HH21 ARG 15 -9.445 9.708 5.021
141 HH22 ARG 15 HH22 ARG 15 -8.945 8.910 6.499
142 H TRP 16 H TRP 16 -6.322 18.424 4.823
143 HA TRP 16 HA TRP 16 -7.188 20.107 7.009
144 HB2 TRP 16 HB2 TRP 16 -4.783 19.634 6.428
145 HB3 TRP 16 HB3 TRP 16 -4.984 20.627 4.965
146 HD1 TRP 16 HD1 TRP 16 -6.274 21.411 8.408
147 HE1 TRP 16 HE1 TRP 16 -5.179 23.744 9.229
148 HE3 TRP 16 HE3 TRP 16 -3.130 22.174 4.485
149 HZ2 TRP 16 HZ2 TRP 16 -3.289 25.489 8.231
150 HZ3 TRP 16 HZ3 TRP 16 -1.724 24.129 4.425
151 HH2 TRP 16 HH2 TRP 16 -1.753 25.809 6.261
152 H ARG 17 H ARG 17 -7.415 20.310 3.492
153 HA ARG 17 HA ARG 17 -8.199 23.112 3.489
154 HB2 ARG 17 HB2 ARG 17 -7.164 21.663 1.607
155 HB3 ARG 17 HB3 ARG 17 -8.834 21.109 1.342
156 HG2 ARG 17 HG2 ARG 17 -8.229 24.050 1.458
157 HG3 ARG 17 HG3 ARG 17 -7.877 23.135 -0.027
158 HD2 ARG 17 HD2 ARG 17 -10.284 22.286 0.098
159 HD3 ARG 17 HD3 ARG 17 -10.552 23.526 1.346
160 HE ARG 17 HE ARG 17 -10.667 25.108 -0.313
161 HH11 ARG 17 HH11 ARG 17 -8.986 22.273 -1.531
162 HH12 ARG 17 HH12 ARG 17 -8.877 22.891 -3.167
163 HH21 ARG 17 HH21 ARG 17 -10.526 25.899 -2.437
164 HH22 ARG 17 HH22 ARG 17 -9.747 24.939 -3.680
165 H GLU 18 H GLU 18 -10.016 20.069 2.859
166 HA GLU 18 HA GLU 18 -12.573 21.290 2.759
167 HB2 GLU 18 HB2 GLU 18 -11.634 18.524 3.511
168 HB3 GLU 18 HB3 GLU 18 -13.355 18.975 3.475
169 HG2 GLU 18 HG2 GLU 18 -13.224 19.498 1.123
170 HG3 GLU 18 HG3 GLU 18 -11.464 19.238 1.126
171 H ARG 19 H ARG 19 -10.563 20.377 5.498
172 HA ARG 19 HA ARG 19 -12.688 20.546 7.460
173 HB2 ARG 19 HB2 ARG 19 -10.677 19.269 7.878
174 HB3 ARG 19 HB3 ARG 19 -9.678 20.727 7.679
175 HG2 ARG 19 HG2 ARG 19 -10.634 21.715 9.671
176 HG3 ARG 19 HG3 ARG 19 -11.780 20.363 9.835
177 HD2 ARG 19 HD2 ARG 19 -8.824 19.805 9.776
178 HD3 ARG 19 HD3 ARG 19 -9.568 20.417 11.272
179 HE ARG 19 HE ARG 19 -9.838 17.762 10.127
180 HH11 ARG 19 HH11 ARG 19 -11.316 20.200 12.179
181 HH12 ARG 19 HH12 ARG 19 -12.262 19.037 13.088
182 HH21 ARG 19 HH21 ARG 19 -11.067 16.260 11.310
183 HH22 ARG 19 HH22 ARG 19 -12.121 16.812 12.597
184 H GLN 20 H GLN 20 -10.481 22.857 5.970
185 HA GLN 20 HA GLN 20 -10.923 24.961 7.898
186 HB2 GLN 20 HB2 GLN 20 -9.144 24.576 5.946
187 HB3 GLN 20 HB3 GLN 20 -10.320 25.566 5.048
188 HG2 GLN 20 HG2 GLN 20 -9.820 27.457 6.210
189 HG3 GLN 20 HG3 GLN 20 -9.563 26.574 7.733
190 HE21 GLN 20 HE22 GLN 20 -8.024 26.184 4.520
191 HE22 GLN 20 HE21 GLN 20 -6.391 26.496 5.076
192 H ARG 21 H ARG 21 -12.718 23.775 5.134
193 HA ARG 21 HA ARG 21 -14.246 26.025 4.458
194 HB2 ARG 21 HB2 ARG 21 -14.208 23.520 3.616
195 HB3 ARG 21 HB3 ARG 21 -15.574 23.365 4.746
196 HG2 ARG 21 HG2 ARG 21 -16.415 23.825 2.516
197 HG3 ARG 21 HG3 ARG 21 -16.721 25.222 3.576
198 HD2 ARG 21 HD2 ARG 21 -15.185 26.559 2.493
199 HD3 ARG 21 HD3 ARG 21 -14.178 25.180 1.992
200 HE ARG 21 HE ARG 21 -15.331 25.130 0.011
201 HH11 ARG 21 HH11 ARG 21 -17.298 26.728 2.444
202 HH12 ARG 21 HH12 ARG 21 -18.575 27.139 1.316
203 HH21 ARG 21 HH21 ARG 21 -16.989 25.664 -1.444
204 HH22 ARG 21 HH22 ARG 21 -18.401 26.538 -0.881
205 H ALA 22 H ALA 22 -14.462 23.973 7.317
206 HA ALA 22 HA ALA 22 -17.033 24.922 8.168
207 HB1 ALA 22 HB1 ALA 22 -14.732 23.782 9.790
208 HB2 ALA 22 HB2 ALA 22 -16.417 23.951 10.337
209 HB3 ALA 22 HB3 ALA 22 -16.021 22.839 9.004
210 H ALA 23 H ALA 23 -13.708 26.049 8.736
211 HA ALA 23 HA ALA 23 -14.631 28.130 10.572
212 HB1 ALA 23 HB1 ALA 23 -11.920 27.658 9.282
213 HB2 ALA 23 HB2 ALA 23 -12.268 28.802 10.600
214 HB3 ALA 23 HB3 ALA 23 -12.437 27.051 10.873
215 H ALA 24 H ALA 24 -13.080 28.113 7.325
216 HA ALA 24 HA ALA 24 -13.364 30.893 6.883
217 HB1 ALA 24 HB1 ALA 24 -13.338 28.628 4.858
218 HB2 ALA 24 HB2 ALA 24 -13.029 30.346 4.512
219 HB3 ALA 24 HB3 ALA 24 -11.905 29.430 5.544
220 H ALA 25 H ALA 25 -15.554 28.188 6.056
221 HA ALA 25 HA ALA 25 -17.597 30.217 5.297
222 HB1 ALA 25 HB1 ALA 25 -17.483 27.230 4.751
223 HB2 ALA 25 HB2 ALA 25 -18.742 28.351 4.181
224 HB3 ALA 25 HB3 ALA 25 -17.070 28.517 3.594
225 H ARG 26 H ARG 26 -19.067 30.747 6.736
226 HA ARG 26 HA ARG 26 -19.478 29.128 9.130
227 HB2 ARG 26 HB2 ARG 26 -20.861 31.594 8.054
228 HB3 ARG 26 HB3 ARG 26 -21.179 30.854 9.641
229 HG2 ARG 26 HG2 ARG 26 -18.844 31.267 10.299
230 HG3 ARG 26 HG3 ARG 26 -18.532 32.013 8.714
231 HD2 ARG 26 HD2 ARG 26 -20.410 33.007 10.885
232 HD3 ARG 26 HD3 ARG 26 -18.910 33.780 10.318
233 HE ARG 26 HE ARG 26 -20.492 33.607 8.062
234 HH11 ARG 26 HH11 ARG 26 -20.839 34.967 11.282
235 HH12 ARG 26 HH12 ARG 26 -21.906 36.254 10.756
236 HH21 ARG 26 HH21 ARG 26 -21.876 35.276 7.387
237 HH22 ARG 26 HH22 ARG 26 -22.492 36.429 8.555
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 1.580 1.629 -0.697
2 H2 GLY 1 H2 GLY 1 1.855 0.015 -0.569
3 H3 GLY 1 H3 GLY 1 0.359 0.658 -1.209
4 HA2 GLY 1 HA2 GLY 1 2.617 -0.158 -2.482
5 HA3 GLY 1 HA3 GLY 1 1.095 0.495 -3.133
6 H ALA 2 H ALA 2 3.499 1.024 -4.402
7 HA ALA 2 HA ALA 2 4.803 3.392 -3.593
8 HB1 ALA 2 HB1 ALA 2 4.281 2.375 -6.409
9 HB2 ALA 2 HB2 ALA 2 5.510 3.573 -5.939
10 HB3 ALA 2 HB3 ALA 2 5.637 1.894 -5.362
11 H MET 3 H MET 3 1.751 2.922 -5.321
12 HA MET 3 HA MET 3 1.484 5.778 -5.924
13 HB2 MET 3 HB2 MET 3 0.563 4.027 -7.385
14 HB3 MET 3 HB3 MET 3 -0.499 3.496 -6.059
15 HG2 MET 3 HG2 MET 3 -1.785 4.855 -7.573
16 HG3 MET 3 HG3 MET 3 -1.546 5.751 -6.054
17 HE1 MET 3 HE1 MET 3 -2.559 7.260 -8.608
18 HE2 MET 3 HE2 MET 3 -1.327 7.841 -9.753
19 HE3 MET 3 HE3 MET 3 -1.747 6.112 -9.698
20 H ALA 4 H ALA 4 0.543 3.572 -3.359
21 HA ALA 4 HA ALA 4 -1.428 5.372 -2.230
22 HB1 ALA 4 HB1 ALA 4 0.040 3.012 -1.001
23 HB2 ALA 4 HB2 ALA 4 -1.395 3.820 -0.326
24 HB3 ALA 4 HB3 ALA 4 -1.513 2.937 -1.866
25 H THR 5 H THR 5 1.943 4.496 -1.358
26 HA THR 5 HA THR 5 2.164 6.234 0.882
27 HB THR 5 HB THR 5 3.825 4.456 0.254
28 HG1 THR 5 HG1 THR 5 5.634 5.768 0.861
29 HG21 THR 5 HG21 THR 5 4.686 6.519 -1.815
30 HG22 THR 5 HG22 THR 5 5.562 5.024 -1.410
31 HG23 THR 5 HG23 THR 5 3.954 4.935 -2.167
32 H ARG 6 H ARG 6 2.376 6.904 -2.573
33 HA ARG 6 HA ARG 6 3.457 9.583 -2.170
34 HB2 ARG 6 HB2 ARG 6 3.471 7.933 -4.248
35 HB3 ARG 6 HB3 ARG 6 1.952 8.785 -4.619
36 HG2 ARG 6 HG2 ARG 6 4.533 10.252 -4.039
37 HG3 ARG 6 HG3 ARG 6 4.105 9.699 -5.676
38 HD2 ARG 6 HD2 ARG 6 1.853 10.937 -5.246
39 HD3 ARG 6 HD3 ARG 6 2.742 11.763 -3.944
40 HE ARG 6 HE ARG 6 3.916 12.973 -5.526
41 HH11 ARG 6 HH11 ARG 6 2.213 10.309 -7.056
42 HH12 ARG 6 HH12 ARG 6 2.544 10.871 -8.683
43 HH21 ARG 6 HH21 ARG 6 4.340 13.697 -7.638
44 HH22 ARG 6 HH22 ARG 6 3.745 12.785 -9.012
45 H GLN 7 H GLN 7 0.269 8.407 -3.363
46 HA GLN 7 HA GLN 7 -1.017 10.922 -3.262
47 HB2 GLN 7 HB2 GLN 7 -1.767 8.651 -4.245
48 HB3 GLN 7 HB3 GLN 7 -2.400 8.333 -2.613
49 HG2 GLN 7 HG2 GLN 7 -4.262 9.208 -3.704
50 HG3 GLN 7 HG3 GLN 7 -3.584 10.638 -2.891
51 HE21 GLN 7 HE22 GLN 7 -4.947 11.737 -4.555
52 HE22 GLN 7 HE21 GLN 7 -4.221 12.046 -6.121
53 H ALA 8 H ALA 8 -0.216 8.687 -0.686
54 HA ALA 8 HA ALA 8 -2.041 9.495 1.276
55 HB1 ALA 8 HB1 ALA 8 0.894 8.791 1.630
56 HB2 ALA 8 HB2 ALA 8 -0.348 8.775 2.904
57 HB3 ALA 8 HB3 ALA 8 -0.453 7.631 1.545
58 H ARG 9 H ARG 9 0.807 11.175 0.050
59 HA ARG 9 HA ARG 9 0.870 13.145 2.181
60 HB2 ARG 9 HB2 ARG 9 2.647 12.373 0.361
61 HB3 ARG 9 HB3 ARG 9 1.912 13.711 -0.553
62 HG2 ARG 9 HG2 ARG 9 3.755 14.679 0.557
63 HG3 ARG 9 HG3 ARG 9 2.333 15.149 1.520
64 HD2 ARG 9 HD2 ARG 9 2.882 13.736 3.275
65 HD3 ARG 9 HD3 ARG 9 3.809 12.631 2.234
66 HE ARG 9 HE ARG 9 5.034 15.242 2.427
67 HH11 ARG 9 HH11 ARG 9 4.611 12.153 4.047
68 HH12 ARG 9 HH12 ARG 9 6.111 12.282 4.946
69 HH21 ARG 9 HH21 ARG 9 6.977 15.398 3.592
70 HH22 ARG 9 HH22 ARG 9 7.447 14.114 4.689
71 H ARG 10 H ARG 10 -0.878 12.798 -0.845
72 HA ARG 10 HA ARG 10 -1.712 15.610 -0.882
73 HB2 ARG 10 HB2 ARG 10 -2.588 13.170 -2.440
74 HB3 ARG 10 HB3 ARG 10 -3.190 14.822 -2.714
75 HG2 ARG 10 HG2 ARG 10 -0.550 15.294 -2.890
76 HG3 ARG 10 HG3 ARG 10 -0.565 13.592 -3.410
77 HD2 ARG 10 HD2 ARG 10 -0.846 14.705 -5.434
78 HD3 ARG 10 HD3 ARG 10 -2.530 14.370 -4.965
79 HE ARG 10 HE ARG 10 -1.563 16.946 -4.038
80 HH11 ARG 10 HH11 ARG 10 -2.979 15.172 -6.719
81 HH12 ARG 10 HH12 ARG 10 -3.706 16.597 -7.437
82 HH21 ARG 10 HH21 ARG 10 -2.509 18.789 -4.974
83 HH22 ARG 10 HH22 ARG 10 -3.440 18.639 -6.452
84 H ASN 11 H ASN 11 -2.941 12.534 0.320
85 HA ASN 11 HA ASN 11 -5.613 13.636 0.840
86 HB2 ASN 11 HB2 ASN 11 -4.247 11.027 1.572
87 HB3 ASN 11 HB3 ASN 11 -5.924 11.431 2.008
88 HD21 ASN 11 HD22 ASN 11 -4.929 9.228 0.347
89 HD22 ASN 11 HD21 ASN 11 -5.680 9.428 -1.224
90 H ARG 12 H ARG 12 -2.578 13.220 2.563
91 HA ARG 12 HA ARG 12 -3.692 13.595 5.205
92 HB2 ARG 12 HB2 ARG 12 -1.568 12.524 4.937
93 HB3 ARG 12 HB3 ARG 12 -0.920 13.923 4.049
94 HG2 ARG 12 HG2 ARG 12 -1.938 14.653 6.686
95 HG3 ARG 12 HG3 ARG 12 -0.661 13.416 6.777
96 HD2 ARG 12 HD2 ARG 12 0.937 14.802 5.792
97 HD3 ARG 12 HD3 ARG 12 -0.290 15.838 5.024
98 HE ARG 12 HE ARG 12 -0.406 17.112 6.951
99 HH11 ARG 12 HH11 ARG 12 1.320 14.117 7.581
100 HH12 ARG 12 HH12 ARG 12 1.849 14.616 9.176
101 HH21 ARG 12 HH21 ARG 12 0.287 17.752 9.017
102 HH22 ARG 12 HH22 ARG 12 1.266 16.669 9.987
103 H ARG 13 H ARG 13 -2.368 15.779 2.728
104 HA ARG 13 HA ARG 13 -2.519 18.110 4.474
105 HB2 ARG 13 HB2 ARG 13 -2.025 19.354 2.436
106 HB3 ARG 13 HB3 ARG 13 -0.893 18.005 2.689
107 HG2 ARG 13 HG2 ARG 13 -2.142 16.660 1.043
108 HG3 ARG 13 HG3 ARG 13 -3.252 18.025 0.779
109 HD2 ARG 13 HD2 ARG 13 -1.760 18.294 -0.984
110 HD3 ARG 13 HD3 ARG 13 -1.044 19.351 0.256
111 HE ARG 13 HE ARG 13 0.125 16.836 0.603
112 HH11 ARG 13 HH11 ARG 13 -0.106 19.278 -1.913
113 HH12 ARG 13 HH12 ARG 13 1.452 18.881 -2.610
114 HH21 ARG 13 HH21 ARG 13 2.144 16.329 -0.306
115 HH22 ARG 13 HH22 ARG 13 2.724 17.215 -1.702
116 H ARG 14 H ARG 14 -4.556 16.671 1.930
117 HA ARG 14 HA ARG 14 -6.405 18.777 1.629
118 HB2 ARG 14 HB2 ARG 14 -6.120 16.333 0.563
119 HB3 ARG 14 HB3 ARG 14 -7.432 15.992 1.717
120 HG2 ARG 14 HG2 ARG 14 -8.947 17.306 0.605
121 HG3 ARG 14 HG3 ARG 14 -7.695 18.402 -0.027
122 HD2 ARG 14 HD2 ARG 14 -8.241 17.298 -1.970
123 HD3 ARG 14 HD3 ARG 14 -6.969 16.212 -1.362
124 HE ARG 14 HE ARG 14 -8.547 14.560 -1.187
125 HH11 ARG 14 HH11 ARG 14 -10.148 17.685 -1.104
126 HH12 ARG 14 HH12 ARG 14 -11.759 16.996 -1.075
127 HH21 ARG 14 HH21 ARG 14 -10.639 13.672 -1.150
128 HH22 ARG 14 HH22 ARG 14 -12.037 14.729 -1.101
129 H ARG 15 H ARG 15 -6.075 16.400 4.219
130 HA ARG 15 HA ARG 15 -8.594 16.632 5.438
131 HB2 ARG 15 HB2 ARG 15 -5.811 16.142 6.425
132 HB3 ARG 15 HB3 ARG 15 -7.125 16.397 7.597
133 HG2 ARG 15 HG2 ARG 15 -7.209 14.318 5.393
134 HG3 ARG 15 HG3 ARG 15 -6.628 13.983 7.042
135 HD2 ARG 15 HD2 ARG 15 -9.397 14.999 6.301
136 HD3 ARG 15 HD3 ARG 15 -8.993 13.329 6.766
137 HE ARG 15 HE ARG 15 -9.361 15.607 8.523
138 HH11 ARG 15 HH11 ARG 15 -7.791 12.491 8.116
139 HH12 ARG 15 HH12 ARG 15 -7.653 12.198 9.839
140 HH21 ARG 15 HH21 ARG 15 -9.179 15.220 10.755
141 HH22 ARG 15 HH22 ARG 15 -8.437 13.739 11.329
142 H TRP 16 H TRP 16 -5.718 18.723 5.886
143 HA TRP 16 HA TRP 16 -6.965 20.457 7.796
144 HB2 TRP 16 HB2 TRP 16 -4.693 21.010 5.838
145 HB3 TRP 16 HB3 TRP 16 -5.100 21.991 7.266
146 HD1 TRP 16 HD1 TRP 16 -2.680 19.808 6.283
147 HE1 TRP 16 HE1 TRP 16 -1.593 18.393 8.317
148 HE3 TRP 16 HE3 TRP 16 -6.328 20.562 9.744
149 HZ2 TRP 16 HZ2 TRP 16 -2.317 17.808 10.913
150 HZ3 TRP 16 HZ3 TRP 16 -6.130 19.594 11.941
151 HH2 TRP 16 HH2 TRP 16 -4.158 18.217 12.582
152 H ARG 17 H ARG 17 -6.639 20.669 4.237
153 HA ARG 17 HA ARG 17 -7.866 23.212 3.945
154 HB2 ARG 17 HB2 ARG 17 -6.667 21.546 2.271
155 HB3 ARG 17 HB3 ARG 17 -8.344 21.045 1.949
156 HG2 ARG 17 HG2 ARG 17 -7.422 23.926 1.821
157 HG3 ARG 17 HG3 ARG 17 -7.388 22.836 0.414
158 HD2 ARG 17 HD2 ARG 17 -9.902 22.403 1.054
159 HD3 ARG 17 HD3 ARG 17 -9.748 23.953 1.914
160 HE ARG 17 HE ARG 17 -8.773 24.559 -0.552
161 HH11 ARG 17 HH11 ARG 17 -11.693 22.943 0.546
162 HH12 ARG 17 HH12 ARG 17 -12.652 23.484 -0.817
163 HH21 ARG 17 HH21 ARG 17 -10.022 25.259 -2.314
164 HH22 ARG 17 HH22 ARG 17 -11.708 24.793 -2.434
165 H GLU 18 H GLU 18 -9.303 19.941 4.076
166 HA GLU 18 HA GLU 18 -11.989 20.838 3.564
167 HB2 GLU 18 HB2 GLU 18 -10.733 18.379 4.748
168 HB3 GLU 18 HB3 GLU 18 -12.496 18.615 4.797
169 HG2 GLU 18 HG2 GLU 18 -12.260 19.049 2.247
170 HG3 GLU 18 HG3 GLU 18 -10.684 18.240 2.424
171 H ARG 19 H ARG 19 -10.066 20.453 6.523
172 HA ARG 19 HA ARG 19 -12.237 20.818 8.358
173 HB2 ARG 19 HB2 ARG 19 -9.932 19.934 8.848
174 HB3 ARG 19 HB3 ARG 19 -9.346 21.610 8.732
175 HG2 ARG 19 HG2 ARG 19 -11.242 22.066 10.504
176 HG3 ARG 19 HG3 ARG 19 -11.079 20.322 10.821
177 HD2 ARG 19 HD2 ARG 19 -9.637 21.539 12.349
178 HD3 ARG 19 HD3 ARG 19 -8.630 20.663 11.172
179 HE ARG 19 HE ARG 19 -8.903 23.136 10.034
180 HH11 ARG 19 HH11 ARG 19 -7.917 21.999 13.209
181 HH12 ARG 19 HH12 ARG 19 -6.832 23.346 13.489
182 HH21 ARG 19 HH21 ARG 19 -7.494 24.879 10.406
183 HH22 ARG 19 HH22 ARG 19 -6.593 24.973 11.906
184 H GLN 20 H GLN 20 -10.358 23.060 6.424
185 HA GLN 20 HA GLN 20 -11.157 25.409 7.957
186 HB2 GLN 20 HB2 GLN 20 -9.150 24.926 6.265
187 HB3 GLN 20 HB3 GLN 20 -10.331 25.577 5.104
188 HG2 GLN 20 HG2 GLN 20 -10.478 27.652 6.301
189 HG3 GLN 20 HG3 GLN 20 -9.522 27.004 7.655
190 HE21 GLN 20 HE22 GLN 20 -7.292 26.089 6.894
191 HE22 GLN 20 HE21 GLN 20 -6.389 27.152 5.833
192 H ARG 21 H ARG 21 -12.503 23.531 5.324
193 HA ARG 21 HA ARG 21 -14.203 25.412 4.125
194 HB2 ARG 21 HB2 ARG 21 -13.774 22.837 3.739
195 HB3 ARG 21 HB3 ARG 21 -15.218 22.676 4.767
196 HG2 ARG 21 HG2 ARG 21 -16.172 24.491 3.070
197 HG3 ARG 21 HG3 ARG 21 -14.940 23.780 2.000
198 HD2 ARG 21 HD2 ARG 21 -15.929 21.504 2.617
199 HD3 ARG 21 HD3 ARG 21 -17.288 22.402 3.334
200 HE ARG 21 HE ARG 21 -16.818 21.902 0.538
201 HH11 ARG 21 HH11 ARG 21 -18.114 24.240 2.819
202 HH12 ARG 21 HH12 ARG 21 -19.229 24.934 1.658
203 HH21 ARG 21 HH21 ARG 21 -18.267 22.807 -0.959
204 HH22 ARG 21 HH22 ARG 21 -19.316 24.125 -0.475
205 H ALA 22 H ALA 22 -14.461 23.873 7.282
206 HA ALA 22 HA ALA 22 -17.208 24.546 7.736
207 HB1 ALA 22 HB1 ALA 22 -14.948 24.116 9.721
208 HB2 ALA 22 HB2 ALA 22 -16.688 24.107 10.096
209 HB3 ALA 22 HB3 ALA 22 -15.998 22.847 9.045
210 H ALA 23 H ALA 23 -14.155 26.270 8.371
211 HA ALA 23 HA ALA 23 -15.588 28.493 9.628
212 HB1 ALA 23 HB1 ALA 23 -12.681 28.200 8.792
213 HB2 ALA 23 HB2 ALA 23 -13.356 29.507 9.794
214 HB3 ALA 23 HB3 ALA 23 -13.344 27.835 10.403
215 H ALA 24 H ALA 24 -13.592 28.096 6.661
216 HA ALA 24 HA ALA 24 -14.157 30.669 5.622
217 HB1 ALA 24 HB1 ALA 24 -13.542 28.094 4.130
218 HB2 ALA 24 HB2 ALA 24 -13.407 29.742 3.474
219 HB3 ALA 24 HB3 ALA 24 -12.340 29.222 4.800
220 H ALA 25 H ALA 25 -15.842 27.553 5.130
221 HA ALA 25 HA ALA 25 -18.002 29.072 3.747
222 HB1 ALA 25 HB1 ALA 25 -17.396 26.094 3.773
223 HB2 ALA 25 HB2 ALA 25 -18.702 26.889 2.862
224 HB3 ALA 25 HB3 ALA 25 -17.002 27.226 2.458
225 H ARG 26 H ARG 26 -19.843 29.457 4.745
226 HA ARG 26 HA ARG 26 -20.409 27.965 7.263
227 HB2 ARG 26 HB2 ARG 26 -21.310 30.607 6.122
228 HB3 ARG 26 HB3 ARG 26 -22.142 29.825 7.488
229 HG2 ARG 26 HG2 ARG 26 -19.765 29.738 8.556
230 HG3 ARG 26 HG3 ARG 26 -19.366 30.990 7.355
231 HD2 ARG 26 HD2 ARG 26 -21.726 31.200 9.250
232 HD3 ARG 26 HD3 ARG 26 -20.111 31.839 9.637
233 HE ARG 26 HE ARG 26 -21.142 32.772 7.088
234 HH11 ARG 26 HH11 ARG 26 -21.109 33.276 10.565
235 HH12 ARG 26 HH12 ARG 26 -21.500 34.980 10.444
236 HH21 ARG 26 HH21 ARG 26 -21.646 34.983 6.939
237 HH22 ARG 26 HH22 ARG 26 -21.804 35.945 8.396
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 3.807 -0.574 -1.952
2 H2 GLY 1 H2 GLY 1 2.366 -1.204 -2.426
3 H3 GLY 1 H3 GLY 1 3.266 -1.850 -1.072
4 HA2 GLY 1 HA2 GLY 1 1.257 -0.022 -1.145
5 HA3 GLY 1 HA3 GLY 1 2.172 -0.680 0.233
6 H ALA 2 H ALA 2 4.756 0.307 -0.893
7 HA ALA 2 HA ALA 2 4.853 2.804 0.436
8 HB1 ALA 2 HB1 ALA 2 6.715 1.697 -1.694
9 HB2 ALA 2 HB2 ALA 2 7.085 3.022 -0.565
10 HB3 ALA 2 HB3 ALA 2 6.821 1.374 0.053
11 H MET 3 H MET 3 4.258 2.001 -2.962
12 HA MET 3 HA MET 3 4.538 4.652 -3.998
13 HB2 MET 3 HB2 MET 3 4.321 2.350 -5.180
14 HB3 MET 3 HB3 MET 3 2.570 2.642 -5.046
15 HG2 MET 3 HG2 MET 3 4.357 4.756 -6.210
16 HG3 MET 3 HG3 MET 3 3.885 3.359 -7.206
17 HE1 MET 3 HE1 MET 3 2.650 4.776 -9.024
18 HE2 MET 3 HE2 MET 3 1.489 6.073 -8.657
19 HE3 MET 3 HE3 MET 3 3.196 6.249 -8.188
20 H ALA 4 H ALA 4 1.753 2.917 -2.599
21 HA ALA 4 HA ALA 4 -0.220 4.831 -3.192
22 HB1 ALA 4 HB1 ALA 4 0.030 3.078 -0.723
23 HB2 ALA 4 HB2 ALA 4 -1.455 3.874 -1.297
24 HB3 ALA 4 HB3 ALA 4 -0.695 2.596 -2.275
25 H THR 5 H THR 5 2.098 4.719 -0.487
26 HA THR 5 HA THR 5 1.034 6.893 1.012
27 HB THR 5 HB THR 5 4.006 6.547 0.790
28 HG1 THR 5 HG1 THR 5 3.835 4.632 2.076
29 HG21 THR 5 HG21 THR 5 2.061 6.726 3.128
30 HG22 THR 5 HG22 THR 5 3.836 6.716 3.250
31 HG23 THR 5 HG23 THR 5 3.007 8.076 2.457
32 H ARG 6 H ARG 6 3.021 6.862 -1.900
33 HA ARG 6 HA ARG 6 3.943 9.522 -1.861
34 HB2 ARG 6 HB2 ARG 6 4.203 7.493 -3.557
35 HB3 ARG 6 HB3 ARG 6 2.904 8.367 -4.404
36 HG2 ARG 6 HG2 ARG 6 4.953 9.129 -5.344
37 HG3 ARG 6 HG3 ARG 6 4.361 10.430 -4.284
38 HD2 ARG 6 HD2 ARG 6 6.810 10.012 -4.041
39 HD3 ARG 6 HD3 ARG 6 5.905 9.766 -2.528
40 HE ARG 6 HE ARG 6 6.290 7.340 -4.097
41 HH11 ARG 6 HH11 ARG 6 7.616 9.487 -1.652
42 HH12 ARG 6 HH12 ARG 6 8.629 8.247 -0.938
43 HH21 ARG 6 HH21 ARG 6 7.605 5.739 -3.166
44 HH22 ARG 6 HH22 ARG 6 8.623 6.129 -1.793
45 H GLN 7 H GLN 7 0.959 8.338 -3.490
46 HA GLN 7 HA GLN 7 -0.021 10.985 -4.010
47 HB2 GLN 7 HB2 GLN 7 -0.684 8.867 -5.176
48 HB3 GLN 7 HB3 GLN 7 -1.601 8.424 -3.716
49 HG2 GLN 7 HG2 GLN 7 -3.175 9.366 -5.242
50 HG3 GLN 7 HG3 GLN 7 -2.873 10.598 -3.994
51 HE21 GLN 7 HE22 GLN 7 -2.520 12.600 -4.684
52 HE22 GLN 7 HE21 GLN 7 -1.943 13.043 -6.279
53 H ALA 8 H ALA 8 -0.187 8.888 -1.206
54 HA ALA 8 HA ALA 8 -2.422 9.955 0.100
55 HB1 ALA 8 HB1 ALA 8 0.219 9.082 1.323
56 HB2 ALA 8 HB2 ALA 8 -1.332 9.239 2.182
57 HB3 ALA 8 HB3 ALA 8 -1.141 8.012 0.907
58 H ARG 9 H ARG 9 0.738 11.390 -0.420
59 HA ARG 9 HA ARG 9 0.677 13.382 1.597
60 HB2 ARG 9 HB2 ARG 9 2.541 12.716 -0.034
61 HB3 ARG 9 HB3 ARG 9 1.736 13.803 -1.190
62 HG2 ARG 9 HG2 ARG 9 3.420 15.121 -0.198
63 HG3 ARG 9 HG3 ARG 9 1.914 15.601 0.621
64 HD2 ARG 9 HD2 ARG 9 2.532 13.855 2.405
65 HD3 ARG 9 HD3 ARG 9 4.148 13.839 1.660
66 HE ARG 9 HE ARG 9 3.185 16.501 2.348
67 HH11 ARG 9 HH11 ARG 9 4.861 13.621 3.463
68 HH12 ARG 9 HH12 ARG 9 5.733 14.471 4.725
69 HH21 ARG 9 HH21 ARG 9 4.318 17.594 3.984
70 HH22 ARG 9 HH22 ARG 9 5.426 16.715 5.019
71 H ARG 10 H ARG 10 -0.922 13.228 -1.559
72 HA ARG 10 HA ARG 10 -1.818 16.005 -1.431
73 HB2 ARG 10 HB2 ARG 10 -1.418 14.442 -3.482
74 HB3 ARG 10 HB3 ARG 10 -3.062 13.864 -3.123
75 HG2 ARG 10 HG2 ARG 10 -3.400 15.545 -4.720
76 HG3 ARG 10 HG3 ARG 10 -3.736 16.350 -3.168
77 HD2 ARG 10 HD2 ARG 10 -2.367 17.916 -4.197
78 HD3 ARG 10 HD3 ARG 10 -1.177 16.968 -3.275
79 HE ARG 10 HE ARG 10 -0.252 16.236 -5.256
80 HH11 ARG 10 HH11 ARG 10 -3.425 17.618 -5.861
81 HH12 ARG 10 HH12 ARG 10 -3.255 17.556 -7.605
82 HH21 ARG 10 HH21 ARG 10 -0.037 16.161 -7.517
83 HH22 ARG 10 HH22 ARG 10 -1.341 16.733 -8.540
84 H ASN 11 H ASN 11 -3.199 12.808 -0.693
85 HA ASN 11 HA ASN 11 -5.880 13.589 -0.295
86 HB2 ASN 11 HB2 ASN 11 -4.113 11.435 0.838
87 HB3 ASN 11 HB3 ASN 11 -5.743 11.684 1.508
88 HD21 ASN 11 HD22 ASN 11 -3.982 11.192 -1.572
89 HD22 ASN 11 HD21 ASN 11 -5.262 10.287 -2.357
90 H ARG 12 H ARG 12 -3.072 13.915 1.850
91 HA ARG 12 HA ARG 12 -4.457 14.610 4.222
92 HB2 ARG 12 HB2 ARG 12 -1.947 14.170 3.760
93 HB3 ARG 12 HB3 ARG 12 -1.883 15.905 3.369
94 HG2 ARG 12 HG2 ARG 12 -1.226 15.657 5.660
95 HG3 ARG 12 HG3 ARG 12 -2.856 16.373 5.636
96 HD2 ARG 12 HD2 ARG 12 -3.858 14.209 6.128
97 HD3 ARG 12 HD3 ARG 12 -2.268 13.415 6.027
98 HE ARG 12 HE ARG 12 -2.388 15.539 8.010
99 HH11 ARG 12 HH11 ARG 12 -2.996 12.143 7.343
100 HH12 ARG 12 HH12 ARG 12 -2.861 11.664 9.024
101 HH21 ARG 12 HH21 ARG 12 -2.212 14.909 10.184
102 HH22 ARG 12 HH22 ARG 12 -2.418 13.226 10.629
103 H ARG 13 H ARG 13 -3.379 16.665 1.500
104 HA ARG 13 HA ARG 13 -4.287 19.122 2.701
105 HB2 ARG 13 HB2 ARG 13 -3.720 18.286 -0.146
106 HB3 ARG 13 HB3 ARG 13 -4.185 19.938 0.323
107 HG2 ARG 13 HG2 ARG 13 -2.182 20.328 1.443
108 HG3 ARG 13 HG3 ARG 13 -1.845 18.592 1.649
109 HD2 ARG 13 HD2 ARG 13 -0.322 19.278 -0.013
110 HD3 ARG 13 HD3 ARG 13 -1.650 18.520 -0.923
111 HE ARG 13 HE ARG 13 -2.130 20.560 -1.887
112 HH11 ARG 13 HH11 ARG 13 -0.058 21.021 0.913
113 HH12 ARG 13 HH12 ARG 13 0.205 22.724 0.589
114 HH21 ARG 13 HH21 ARG 13 -1.781 22.765 -2.302
115 HH22 ARG 13 HH22 ARG 13 -0.768 23.709 -1.227
116 H ARG 14 H ARG 14 -5.849 16.637 0.737
117 HA ARG 14 HA ARG 14 -8.153 18.124 -0.026
118 HB2 ARG 14 HB2 ARG 14 -7.855 15.180 0.606
119 HB3 ARG 14 HB3 ARG 14 -9.229 15.928 -0.243
120 HG2 ARG 14 HG2 ARG 14 -7.554 16.741 -1.970
121 HG3 ARG 14 HG3 ARG 14 -6.360 15.682 -1.184
122 HD2 ARG 14 HD2 ARG 14 -7.154 14.270 -2.835
123 HD3 ARG 14 HD3 ARG 14 -8.250 13.857 -1.495
124 HE ARG 14 HE ARG 14 -9.385 15.974 -3.023
125 HH11 ARG 14 HH11 ARG 14 -8.636 12.545 -3.213
126 HH12 ARG 14 HH12 ARG 14 -9.942 12.199 -4.330
127 HH21 ARG 14 HH21 ARG 14 -11.076 15.515 -4.467
128 HH22 ARG 14 HH22 ARG 14 -11.320 13.876 -5.038
129 H ARG 15 H ARG 15 -7.710 15.910 2.774
130 HA ARG 15 HA ARG 15 -10.271 16.573 3.919
131 HB2 ARG 15 HB2 ARG 15 -9.469 15.400 5.868
132 HB3 ARG 15 HB3 ARG 15 -9.082 14.491 4.388
133 HG2 ARG 15 HG2 ARG 15 -6.777 15.143 4.499
134 HG3 ARG 15 HG3 ARG 15 -7.109 16.295 5.814
135 HD2 ARG 15 HD2 ARG 15 -7.455 13.280 6.001
136 HD3 ARG 15 HD3 ARG 15 -6.057 14.188 6.624
137 HE ARG 15 HE ARG 15 -8.694 13.963 7.826
138 HH11 ARG 15 HH11 ARG 15 -5.775 15.900 7.563
139 HH12 ARG 15 HH12 ARG 15 -6.004 16.676 9.118
140 HH21 ARG 15 HH21 ARG 15 -8.983 14.973 9.841
141 HH22 ARG 15 HH22 ARG 15 -7.816 16.153 10.405
142 H TRP 16 H TRP 16 -7.074 18.016 4.105
143 HA TRP 16 HA TRP 16 -7.568 19.571 6.485
144 HB2 TRP 16 HB2 TRP 16 -5.303 19.017 5.328
145 HB3 TRP 16 HB3 TRP 16 -5.686 20.379 4.249
146 HD1 TRP 16 HD1 TRP 16 -6.517 20.407 7.882
147 HE1 TRP 16 HE1 TRP 16 -5.055 22.326 9.107
148 HE3 TRP 16 HE3 TRP 16 -3.530 21.676 3.967
149 HZ2 TRP 16 HZ2 TRP 16 -2.996 24.006 8.363
150 HZ3 TRP 16 HZ3 TRP 16 -1.865 23.397 4.224
151 HH2 TRP 16 HH2 TRP 16 -1.548 24.587 6.387
152 H ARG 17 H ARG 17 -8.431 19.959 3.114
153 HA ARG 17 HA ARG 17 -9.034 22.807 3.378
154 HB2 ARG 17 HB2 ARG 17 -8.880 20.813 1.301
155 HB3 ARG 17 HB3 ARG 17 -10.428 21.686 1.204
156 HG2 ARG 17 HG2 ARG 17 -7.687 22.987 1.293
157 HG3 ARG 17 HG3 ARG 17 -8.640 22.715 -0.185
158 HD2 ARG 17 HD2 ARG 17 -10.499 24.062 0.920
159 HD3 ARG 17 HD3 ARG 17 -9.310 24.512 2.166
160 HE ARG 17 HE ARG 17 -8.416 26.033 0.698
161 HH11 ARG 17 HH11 ARG 17 -10.217 23.612 -1.101
162 HH12 ARG 17 HH12 ARG 17 -10.009 24.424 -2.640
163 HH21 ARG 17 HH21 ARG 17 -8.154 27.082 -1.299
164 HH22 ARG 17 HH22 ARG 17 -8.844 26.385 -2.752
165 H GLU 18 H GLU 18 -11.075 19.885 2.861
166 HA GLU 18 HA GLU 18 -13.548 21.201 3.279
167 HB2 GLU 18 HB2 GLU 18 -12.716 18.342 3.812
168 HB3 GLU 18 HB3 GLU 18 -14.395 18.932 3.825
169 HG2 GLU 18 HG2 GLU 18 -12.549 19.154 1.440
170 HG3 GLU 18 HG3 GLU 18 -13.649 17.780 1.704
171 H ARG 19 H ARG 19 -11.139 20.078 5.565
172 HA ARG 19 HA ARG 19 -12.927 20.180 7.864
173 HB2 ARG 19 HB2 ARG 19 -10.911 18.759 7.748
174 HB3 ARG 19 HB3 ARG 19 -9.907 20.227 7.695
175 HG2 ARG 19 HG2 ARG 19 -9.780 19.779 9.936
176 HG3 ARG 19 HG3 ARG 19 -11.248 20.785 9.921
177 HD2 ARG 19 HD2 ARG 19 -12.471 18.483 9.563
178 HD3 ARG 19 HD3 ARG 19 -10.973 17.804 10.243
179 HE ARG 19 HE ARG 19 -13.044 19.283 11.654
180 HH11 ARG 19 HH11 ARG 19 -9.669 18.307 11.617
181 HH12 ARG 19 HH12 ARG 19 -9.476 18.469 13.352
182 HH21 ARG 19 HH21 ARG 19 -12.787 19.491 13.902
183 HH22 ARG 19 HH22 ARG 19 -11.238 19.138 14.642
184 H GLN 20 H GLN 20 -10.327 22.305 6.594
185 HA GLN 20 HA GLN 20 -10.689 24.321 8.606
186 HB2 GLN 20 HB2 GLN 20 -8.801 23.838 6.796
187 HB3 GLN 20 HB3 GLN 20 -9.755 25.015 5.863
188 HG2 GLN 20 HG2 GLN 20 -9.534 26.640 7.712
189 HG3 GLN 20 HG3 GLN 20 -8.552 25.463 8.616
190 HE21 GLN 20 HE22 GLN 20 -6.856 24.436 6.767
191 HE22 GLN 20 HE21 GLN 20 -5.832 25.696 6.107
192 H ARG 21 H ARG 21 -12.372 23.598 5.622
193 HA ARG 21 HA ARG 21 -13.521 26.078 5.011
194 HB2 ARG 21 HB2 ARG 21 -13.743 23.663 3.972
195 HB3 ARG 21 HB3 ARG 21 -15.207 23.612 4.983
196 HG2 ARG 21 HG2 ARG 21 -14.752 25.990 3.219
197 HG3 ARG 21 HG3 ARG 21 -15.284 24.466 2.470
198 HD2 ARG 21 HD2 ARG 21 -17.078 24.482 4.392
199 HD3 ARG 21 HD3 ARG 21 -16.712 26.222 4.457
200 HE ARG 21 HE ARG 21 -17.883 26.510 2.498
201 HH11 ARG 21 HH11 ARG 21 -17.037 23.120 2.870
202 HH12 ARG 21 HH12 ARG 21 -17.977 22.609 1.481
203 HH21 ARG 21 HH21 ARG 21 -19.100 25.839 0.701
204 HH22 ARG 21 HH22 ARG 21 -19.142 24.144 0.257
205 H ALA 22 H ALA 22 -14.261 23.887 7.672
206 HA ALA 22 HA ALA 22 -16.761 25.031 8.400
207 HB1 ALA 22 HB1 ALA 22 -14.655 23.719 10.154
208 HB2 ALA 22 HB2 ALA 22 -16.360 23.986 10.587
209 HB3 ALA 22 HB3 ALA 22 -15.941 22.874 9.262
210 H ALA 23 H ALA 23 -13.424 25.848 9.383
211 HA ALA 23 HA ALA 23 -14.403 28.045 11.057
212 HB1 ALA 23 HB1 ALA 23 -11.585 27.243 10.251
213 HB2 ALA 23 HB2 ALA 23 -12.018 28.443 11.492
214 HB3 ALA 23 HB3 ALA 23 -12.433 26.729 11.729
215 H ALA 24 H ALA 24 -12.326 27.794 8.130
216 HA ALA 24 HA ALA 24 -12.110 30.536 7.624
217 HB1 ALA 24 HB1 ALA 24 -12.326 28.277 5.604
218 HB2 ALA 24 HB2 ALA 24 -11.662 29.899 5.295
219 HB3 ALA 24 HB3 ALA 24 -10.837 28.801 6.426
220 H ALA 25 H ALA 25 -14.696 28.289 6.601
221 HA ALA 25 HA ALA 25 -16.254 30.681 5.732
222 HB1 ALA 25 HB1 ALA 25 -16.564 27.761 4.951
223 HB2 ALA 25 HB2 ALA 25 -17.551 29.116 4.353
224 HB3 ALA 25 HB3 ALA 25 -15.818 29.033 3.955
225 H ARG 26 H ARG 26 -18.163 31.173 6.624
226 HA ARG 26 HA ARG 26 -19.016 29.492 8.930
227 HB2 ARG 26 HB2 ARG 26 -19.364 32.357 8.114
228 HB3 ARG 26 HB3 ARG 26 -20.529 31.597 9.225
229 HG2 ARG 26 HG2 ARG 26 -18.463 30.906 10.604
230 HG3 ARG 26 HG3 ARG 26 -17.579 32.104 9.628
231 HD2 ARG 26 HD2 ARG 26 -18.264 33.239 11.612
232 HD3 ARG 26 HD3 ARG 26 -19.354 33.792 10.318
233 HE ARG 26 HE ARG 26 -20.621 31.616 11.524
234 HH11 ARG 26 HH11 ARG 26 -19.453 34.793 12.461
235 HH12 ARG 26 HH12 ARG 26 -20.666 35.005 13.709
236 HH21 ARG 26 HH21 ARG 26 -22.189 31.897 13.143
237 HH22 ARG 26 HH22 ARG 26 -22.212 33.369 14.095
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 0.377 1.099 0.239
2 H2 GLY 1 H2 GLY 1 0.576 -0.489 0.607
3 H3 GLY 1 H3 GLY 1 -0.548 0.050 -0.621
4 HA2 GLY 1 HA2 GLY 1 2.024 -0.796 -0.833
5 HA3 GLY 1 HA3 GLY 1 0.881 -0.248 -2.082
6 H ALA 2 H ALA 2 3.378 0.341 -2.667
7 HA ALA 2 HA ALA 2 4.363 2.780 -1.523
8 HB1 ALA 2 HB1 ALA 2 4.916 1.525 -4.236
9 HB2 ALA 2 HB2 ALA 2 5.880 2.802 -3.456
10 HB3 ALA 2 HB3 ALA 2 5.797 1.179 -2.729
11 H MET 3 H MET 3 2.517 2.096 -4.520
12 HA MET 3 HA MET 3 2.404 4.712 -5.533
13 HB2 MET 3 HB2 MET 3 1.578 2.621 -6.623
14 HB3 MET 3 HB3 MET 3 0.166 2.677 -5.541
15 HG2 MET 3 HG2 MET 3 -0.673 4.629 -6.540
16 HG3 MET 3 HG3 MET 3 0.884 5.006 -7.316
17 HE1 MET 3 HE1 MET 3 1.305 4.611 -9.729
18 HE2 MET 3 HE2 MET 3 -0.038 4.116 -10.787
19 HE3 MET 3 HE3 MET 3 -0.251 5.471 -9.653
20 H ALA 4 H ALA 4 0.328 3.183 -3.057
21 HA ALA 4 HA ALA 4 -1.408 5.442 -2.782
22 HB1 ALA 4 HB1 ALA 4 -0.725 3.251 -0.790
23 HB2 ALA 4 HB2 ALA 4 -2.117 4.356 -0.696
24 HB3 ALA 4 HB3 ALA 4 -2.005 3.176 -2.023
25 H THR 5 H THR 5 1.642 4.528 -1.206
26 HA THR 5 HA THR 5 1.609 6.488 0.864
27 HB THR 5 HB THR 5 3.997 5.382 -0.671
28 HG1 THR 5 HG1 THR 5 4.051 3.884 1.093
29 HG21 THR 5 HG21 THR 5 3.777 6.632 2.098
30 HG22 THR 5 HG22 THR 5 5.251 5.932 1.387
31 HG23 THR 5 HG23 THR 5 4.523 7.390 0.671
32 H ARG 6 H ARG 6 2.510 6.737 -2.553
33 HA ARG 6 HA ARG 6 3.696 9.342 -2.349
34 HB2 ARG 6 HB2 ARG 6 3.772 7.607 -4.253
35 HB3 ARG 6 HB3 ARG 6 2.206 8.295 -4.745
36 HG2 ARG 6 HG2 ARG 6 3.214 10.490 -5.023
37 HG3 ARG 6 HG3 ARG 6 4.773 9.882 -4.416
38 HD2 ARG 6 HD2 ARG 6 5.005 8.412 -6.333
39 HD3 ARG 6 HD3 ARG 6 3.376 8.841 -6.906
40 HE ARG 6 HE ARG 6 4.223 10.787 -7.817
41 HH11 ARG 6 HH11 ARG 6 6.560 9.378 -5.604
42 HH12 ARG 6 HH12 ARG 6 7.843 10.481 -6.064
43 HH21 ARG 6 HH21 ARG 6 5.889 12.212 -8.408
44 HH22 ARG 6 HH22 ARG 6 7.463 12.082 -7.649
45 H GLN 7 H GLN 7 0.441 8.409 -3.570
46 HA GLN 7 HA GLN 7 -0.536 11.076 -3.717
47 HB2 GLN 7 HB2 GLN 7 -1.464 8.824 -4.634
48 HB3 GLN 7 HB3 GLN 7 -2.276 8.723 -3.054
49 HG2 GLN 7 HG2 GLN 7 -3.753 9.698 -4.772
50 HG3 GLN 7 HG3 GLN 7 -3.398 10.858 -3.469
51 HE21 GLN 7 HE22 GLN 7 -3.434 12.822 -4.375
52 HE22 GLN 7 HE21 GLN 7 -2.552 13.283 -5.817
53 H ALA 8 H ALA 8 -0.180 8.889 -1.001
54 HA ALA 8 HA ALA 8 -2.028 9.962 0.793
55 HB1 ALA 8 HB1 ALA 8 0.802 9.025 1.380
56 HB2 ALA 8 HB2 ALA 8 -0.517 9.181 2.565
57 HB3 ALA 8 HB3 ALA 8 -0.636 7.984 1.254
58 H ARG 9 H ARG 9 1.250 11.164 0.024
59 HA ARG 9 HA ARG 9 1.403 13.214 1.944
60 HB2 ARG 9 HB2 ARG 9 2.388 13.159 -0.916
61 HB3 ARG 9 HB3 ARG 9 2.874 14.353 0.310
62 HG2 ARG 9 HG2 ARG 9 3.287 11.362 0.593
63 HG3 ARG 9 HG3 ARG 9 4.515 12.476 -0.054
64 HD2 ARG 9 HD2 ARG 9 3.246 12.658 2.703
65 HD3 ARG 9 HD3 ARG 9 4.861 11.998 2.355
66 HE ARG 9 HE ARG 9 4.798 14.583 1.276
67 HH11 ARG 9 HH11 ARG 9 4.510 13.038 4.418
68 HH12 ARG 9 HH12 ARG 9 5.179 14.405 5.288
69 HH21 ARG 9 HH21 ARG 9 5.662 16.352 2.410
70 HH22 ARG 9 HH22 ARG 9 5.830 16.278 4.153
71 H ARG 10 H ARG 10 -0.506 13.041 -1.000
72 HA ARG 10 HA ARG 10 -1.152 15.908 -0.924
73 HB2 ARG 10 HB2 ARG 10 -0.975 14.278 -2.962
74 HB3 ARG 10 HB3 ARG 10 -2.638 13.841 -2.503
75 HG2 ARG 10 HG2 ARG 10 -3.069 15.514 -4.019
76 HG3 ARG 10 HG3 ARG 10 -2.980 16.462 -2.515
77 HD2 ARG 10 HD2 ARG 10 -1.612 17.708 -3.922
78 HD3 ARG 10 HD3 ARG 10 -0.427 16.648 -3.122
79 HE ARG 10 HE ARG 10 -1.236 15.294 -5.423
80 HH11 ARG 10 HH11 ARG 10 0.284 18.358 -4.617
81 HH12 ARG 10 HH12 ARG 10 1.199 18.435 -6.109
82 HH21 ARG 10 HH21 ARG 10 -0.046 15.401 -7.354
83 HH22 ARG 10 HH22 ARG 10 1.013 16.765 -7.656
84 H ASN 11 H ASN 11 -2.495 12.881 0.248
85 HA ASN 11 HA ASN 11 -5.162 13.874 0.714
86 HB2 ASN 11 HB2 ASN 11 -3.526 11.517 1.595
87 HB3 ASN 11 HB3 ASN 11 -5.019 11.908 2.481
88 HD21 ASN 11 HD22 ASN 11 -3.651 11.021 -0.667
89 HD22 ASN 11 HD21 ASN 11 -5.145 10.413 -1.354
90 H ARG 12 H ARG 12 -2.155 13.944 2.575
91 HA ARG 12 HA ARG 12 -3.159 14.586 5.115
92 HB2 ARG 12 HB2 ARG 12 -0.740 15.813 3.779
93 HB3 ARG 12 HB3 ARG 12 -1.047 15.661 5.525
94 HG2 ARG 12 HG2 ARG 12 -0.641 13.362 3.586
95 HG3 ARG 12 HG3 ARG 12 0.579 13.988 4.720
96 HD2 ARG 12 HD2 ARG 12 -1.175 13.512 6.559
97 HD3 ARG 12 HD3 ARG 12 -1.999 12.527 5.328
98 HE ARG 12 HE ARG 12 0.662 11.683 5.344
99 HH11 ARG 12 HH11 ARG 12 -2.025 11.856 7.600
100 HH12 ARG 12 HH12 ARG 12 -1.505 10.455 8.516
101 HH21 ARG 12 HH21 ARG 12 1.330 9.867 6.536
102 HH22 ARG 12 HH22 ARG 12 0.389 9.332 7.915
103 H ARG 13 H ARG 13 -2.177 16.939 2.575
104 HA ARG 13 HA ARG 13 -3.282 19.181 4.012
105 HB2 ARG 13 HB2 ARG 13 -3.006 20.349 1.843
106 HB3 ARG 13 HB3 ARG 13 -1.534 19.543 2.438
107 HG2 ARG 13 HG2 ARG 13 -1.775 17.762 0.856
108 HG3 ARG 13 HG3 ARG 13 -3.399 18.319 0.388
109 HD2 ARG 13 HD2 ARG 13 -2.540 19.701 -1.154
110 HD3 ARG 13 HD3 ARG 13 -1.483 20.461 0.060
111 HE ARG 13 HE ARG 13 -0.758 18.420 -1.890
112 HH11 ARG 13 HH11 ARG 13 0.026 19.947 1.175
113 HH12 ARG 13 HH12 ARG 13 1.719 19.498 1.104
114 HH21 ARG 13 HH21 ARG 13 1.436 17.841 -1.974
115 HH22 ARG 13 HH22 ARG 13 2.516 18.309 -0.675
116 H ARG 14 H ARG 14 -4.577 16.915 1.629
117 HA ARG 14 HA ARG 14 -6.845 18.315 0.767
118 HB2 ARG 14 HB2 ARG 14 -5.923 15.940 0.210
119 HB3 ARG 14 HB3 ARG 14 -6.996 15.419 1.530
120 HG2 ARG 14 HG2 ARG 14 -8.430 15.168 -0.240
121 HG3 ARG 14 HG3 ARG 14 -8.771 16.862 0.184
122 HD2 ARG 14 HD2 ARG 14 -6.567 16.302 -1.770
123 HD3 ARG 14 HD3 ARG 14 -8.248 16.127 -2.327
124 HE ARG 14 HE ARG 14 -7.823 18.624 -0.944
125 HH11 ARG 14 HH11 ARG 14 -7.369 16.942 -3.996
126 HH12 ARG 14 HH12 ARG 14 -7.381 18.414 -4.948
127 HH21 ARG 14 HH21 ARG 14 -7.836 20.527 -2.185
128 HH22 ARG 14 HH22 ARG 14 -7.644 20.439 -3.925
129 H ARG 15 H ARG 15 -6.746 16.033 3.550
130 HA ARG 15 HA ARG 15 -9.338 16.568 4.499
131 HB2 ARG 15 HB2 ARG 15 -7.398 14.906 5.232
132 HB3 ARG 15 HB3 ARG 15 -7.119 16.174 6.449
133 HG2 ARG 15 HG2 ARG 15 -8.570 14.533 7.426
134 HG3 ARG 15 HG3 ARG 15 -9.535 15.990 7.090
135 HD2 ARG 15 HD2 ARG 15 -10.742 13.933 6.448
136 HD3 ARG 15 HD3 ARG 15 -10.401 14.964 5.038
137 HE ARG 15 HE ARG 15 -9.118 13.274 4.152
138 HH11 ARG 15 HH11 ARG 15 -9.551 12.734 7.597
139 HH12 ARG 15 HH12 ARG 15 -8.784 11.158 7.569
140 HH21 ARG 15 HH21 ARG 15 -8.128 11.231 4.124
141 HH22 ARG 15 HH22 ARG 15 -7.979 10.309 5.607
142 H TRP 16 H TRP 16 -6.276 18.237 5.311
143 HA TRP 16 HA TRP 16 -7.279 19.995 7.261
144 HB2 TRP 16 HB2 TRP 16 -4.880 19.813 6.748
145 HB3 TRP 16 HB3 TRP 16 -5.151 20.514 5.135
146 HD1 TRP 16 HD1 TRP 16 -5.952 21.538 8.690
147 HE1 TRP 16 HE1 TRP 16 -5.318 24.150 8.983
148 HE3 TRP 16 HE3 TRP 16 -4.316 22.439 3.961
149 HZ2 TRP 16 HZ2 TRP 16 -4.292 26.122 7.348
150 HZ3 TRP 16 HZ3 TRP 16 -3.534 24.632 3.349
151 HH2 TRP 16 HH2 TRP 16 -3.495 26.504 4.990
152 H ARG 17 H ARG 17 -7.498 20.198 3.723
153 HA ARG 17 HA ARG 17 -8.564 22.880 3.689
154 HB2 ARG 17 HB2 ARG 17 -7.512 21.392 1.813
155 HB3 ARG 17 HB3 ARG 17 -9.181 20.809 1.614
156 HG2 ARG 17 HG2 ARG 17 -8.690 23.763 1.684
157 HG3 ARG 17 HG3 ARG 17 -8.245 22.866 0.213
158 HD2 ARG 17 HD2 ARG 17 -10.641 21.849 0.404
159 HD3 ARG 17 HD3 ARG 17 -10.965 23.237 1.470
160 HE ARG 17 HE ARG 17 -10.978 24.627 -0.373
161 HH11 ARG 17 HH11 ARG 17 -9.527 21.540 -1.216
162 HH12 ARG 17 HH12 ARG 17 -9.462 21.902 -2.930
163 HH21 ARG 17 HH21 ARG 17 -10.893 25.086 -2.593
164 HH22 ARG 17 HH22 ARG 17 -10.233 23.905 -3.708
165 H GLU 18 H GLU 18 -10.139 19.666 3.352
166 HA GLU 18 HA GLU 18 -12.796 20.647 3.238
167 HB2 GLU 18 HB2 GLU 18 -11.818 18.062 4.465
168 HB3 GLU 18 HB3 GLU 18 -13.464 18.417 3.887
169 HG2 GLU 18 HG2 GLU 18 -10.994 18.398 2.136
170 HG3 GLU 18 HG3 GLU 18 -12.087 17.008 2.336
171 H ARG 19 H ARG 19 -10.641 20.138 5.980
172 HA ARG 19 HA ARG 19 -12.743 20.383 7.974
173 HB2 ARG 19 HB2 ARG 19 -10.721 19.193 8.492
174 HB3 ARG 19 HB3 ARG 19 -9.731 20.615 8.085
175 HG2 ARG 19 HG2 ARG 19 -9.892 20.372 10.504
176 HG3 ARG 19 HG3 ARG 19 -10.739 21.844 9.973
177 HD2 ARG 19 HD2 ARG 19 -12.784 21.050 10.585
178 HD3 ARG 19 HD3 ARG 19 -12.392 19.380 10.110
179 HE ARG 19 HE ARG 19 -12.080 20.592 12.739
180 HH11 ARG 19 HH11 ARG 19 -11.047 18.040 10.557
181 HH12 ARG 19 HH12 ARG 19 -10.517 16.983 11.851
182 HH21 ARG 19 HH21 ARG 19 -11.390 19.216 14.409
183 HH22 ARG 19 HH22 ARG 19 -10.711 17.646 14.026
184 H GLN 20 H GLN 20 -10.418 22.609 6.449
185 HA GLN 20 HA GLN 20 -11.008 24.845 8.146
186 HB2 GLN 20 HB2 GLN 20 -9.131 24.351 6.330
187 HB3 GLN 20 HB3 GLN 20 -10.277 25.219 5.281
188 HG2 GLN 20 HG2 GLN 20 -10.251 27.117 6.894
189 HG3 GLN 20 HG3 GLN 20 -9.015 26.255 7.842
190 HE21 GLN 20 HE22 GLN 20 -7.192 25.350 6.195
191 HE22 GLN 20 HE21 GLN 20 -6.498 26.615 5.199
192 H ARG 21 H ARG 21 -12.670 23.437 5.403
193 HA ARG 21 HA ARG 21 -14.185 25.610 4.493
194 HB2 ARG 21 HB2 ARG 21 -14.092 23.028 3.876
195 HB3 ARG 21 HB3 ARG 21 -15.532 22.986 4.920
196 HG2 ARG 21 HG2 ARG 21 -16.299 25.013 3.431
197 HG3 ARG 21 HG3 ARG 21 -15.121 24.349 2.274
198 HD2 ARG 21 HD2 ARG 21 -16.308 22.091 2.641
199 HD3 ARG 21 HD3 ARG 21 -17.608 23.039 3.400
200 HE ARG 21 HE ARG 21 -16.908 24.082 0.808
201 HH11 ARG 21 HH11 ARG 21 -18.668 21.530 2.460
202 HH12 ARG 21 HH12 ARG 21 -19.807 21.299 1.148
203 HH21 ARG 21 HH21 ARG 21 -18.387 23.776 -0.889
204 HH22 ARG 21 HH22 ARG 21 -19.649 22.568 -0.744
205 H ALA 22 H ALA 22 -14.509 23.780 7.490
206 HA ALA 22 HA ALA 22 -17.122 24.684 8.172
207 HB1 ALA 22 HB1 ALA 22 -14.805 23.917 9.982
208 HB2 ALA 22 HB2 ALA 22 -16.516 24.028 10.460
209 HB3 ALA 22 HB3 ALA 22 -15.998 22.796 9.285
210 H ALA 23 H ALA 23 -13.892 26.063 8.814
211 HA ALA 23 HA ALA 23 -15.083 28.325 10.244
212 HB1 ALA 23 HB1 ALA 23 -12.226 27.802 9.352
213 HB2 ALA 23 HB2 ALA 23 -12.761 29.097 10.449
214 HB3 ALA 23 HB3 ALA 23 -12.913 27.394 10.943
215 H ALA 24 H ALA 24 -13.147 27.940 7.236
216 HA ALA 24 HA ALA 24 -13.364 30.590 6.356
217 HB1 ALA 24 HB1 ALA 24 -13.317 28.058 4.677
218 HB2 ALA 24 HB2 ALA 24 -12.921 29.698 4.110
219 HB3 ALA 24 HB3 ALA 24 -11.892 28.905 5.326
220 H ALA 25 H ALA 25 -15.612 27.865 5.798
221 HA ALA 25 HA ALA 25 -17.580 29.880 4.802
222 HB1 ALA 25 HB1 ALA 25 -17.384 26.911 4.186
223 HB2 ALA 25 HB2 ALA 25 -18.618 28.032 3.562
224 HB3 ALA 25 HB3 ALA 25 -16.913 28.236 3.094
225 H ARG 26 H ARG 26 -19.164 30.345 6.137
226 HA ARG 26 HA ARG 26 -19.775 28.504 8.366
227 HB2 ARG 26 HB2 ARG 26 -20.887 31.224 7.646
228 HB3 ARG 26 HB3 ARG 26 -21.200 30.321 9.147
229 HG2 ARG 26 HG2 ARG 26 -18.451 31.237 8.255
230 HG3 ARG 26 HG3 ARG 26 -19.497 32.166 9.355
231 HD2 ARG 26 HD2 ARG 26 -18.565 29.317 9.856
232 HD3 ARG 26 HD3 ARG 26 -17.788 30.766 10.537
233 HE ARG 26 HE ARG 26 -20.514 30.893 11.206
234 HH11 ARG 26 HH11 ARG 26 -17.726 28.846 11.822
235 HH12 ARG 26 HH12 ARG 26 -18.291 28.343 13.403
236 HH21 ARG 26 HH21 ARG 26 -21.240 30.236 13.256
237 HH22 ARG 26 HH22 ARG 26 -20.276 29.129 14.213
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 0.532 -1.102 -1.333
2 H2 GLY 1 H2 GLY 1 1.124 -2.485 -1.989
3 H3 GLY 1 H3 GLY 1 -0.261 -1.654 -2.660
4 HA2 GLY 1 HA2 GLY 1 2.372 -1.501 -3.310
5 HA3 GLY 1 HA3 GLY 1 0.963 -0.656 -3.992
6 H ALA 2 H ALA 2 3.923 -0.091 -2.808
7 HA ALA 2 HA ALA 2 3.678 1.855 -0.815
8 HB1 ALA 2 HB1 ALA 2 5.618 1.813 -3.154
9 HB2 ALA 2 HB2 ALA 2 5.820 2.729 -1.641
10 HB3 ALA 2 HB3 ALA 2 5.825 0.949 -1.611
11 H MET 3 H MET 3 3.027 2.118 -4.276
12 HA MET 3 HA MET 3 2.993 4.910 -4.573
13 HB2 MET 3 HB2 MET 3 1.599 4.577 -6.436
14 HB3 MET 3 HB3 MET 3 2.657 3.149 -6.336
15 HG2 MET 3 HG2 MET 3 0.795 1.935 -5.188
16 HG3 MET 3 HG3 MET 3 -0.249 3.343 -5.495
17 HE1 MET 3 HE1 MET 3 0.174 4.375 -8.280
18 HE2 MET 3 HE2 MET 3 -0.841 3.312 -9.283
19 HE3 MET 3 HE3 MET 3 -1.422 3.853 -7.690
20 H ALA 4 H ALA 4 0.689 2.812 -2.931
21 HA ALA 4 HA ALA 4 -1.538 4.482 -2.806
22 HB1 ALA 4 HB1 ALA 4 -0.413 2.731 -0.593
23 HB2 ALA 4 HB2 ALA 4 -2.082 3.339 -0.702
24 HB3 ALA 4 HB3 ALA 4 -1.473 2.188 -1.915
25 H THR 5 H THR 5 1.181 4.409 -0.451
26 HA THR 5 HA THR 5 0.252 6.681 1.039
27 HB THR 5 HB THR 5 2.621 6.786 1.858
28 HG1 THR 5 HG1 THR 5 4.033 5.114 1.107
29 HG21 THR 5 HG21 THR 5 1.404 3.994 1.789
30 HG22 THR 5 HG22 THR 5 2.617 4.571 2.956
31 HG23 THR 5 HG23 THR 5 0.986 5.282 2.944
32 H ARG 6 H ARG 6 2.207 6.396 -1.883
33 HA ARG 6 HA ARG 6 3.360 8.947 -1.963
34 HB2 ARG 6 HB2 ARG 6 3.161 6.818 -3.658
35 HB3 ARG 6 HB3 ARG 6 2.152 8.027 -4.486
36 HG2 ARG 6 HG2 ARG 6 3.922 9.364 -4.992
37 HG3 ARG 6 HG3 ARG 6 4.786 8.970 -3.486
38 HD2 ARG 6 HD2 ARG 6 4.536 7.172 -5.926
39 HD3 ARG 6 HD3 ARG 6 5.982 8.098 -5.457
40 HE ARG 6 HE ARG 6 5.459 6.572 -3.241
41 HH11 ARG 6 HH11 ARG 6 5.862 5.885 -6.662
42 HH12 ARG 6 HH12 ARG 6 6.523 4.284 -6.387
43 HH21 ARG 6 HH21 ARG 6 6.317 4.498 -2.892
44 HH22 ARG 6 HH22 ARG 6 6.780 3.501 -4.257
45 H GLN 7 H GLN 7 0.219 8.058 -3.482
46 HA GLN 7 HA GLN 7 -0.498 10.809 -3.951
47 HB2 GLN 7 HB2 GLN 7 -1.335 8.630 -5.064
48 HB3 GLN 7 HB3 GLN 7 -2.445 8.536 -3.676
49 HG2 GLN 7 HG2 GLN 7 -3.681 9.603 -5.391
50 HG3 GLN 7 HG3 GLN 7 -3.176 10.906 -4.289
51 HE21 GLN 7 HE22 GLN 7 -1.461 12.321 -4.917
52 HE22 GLN 7 HE21 GLN 7 -1.059 12.533 -6.610
53 H ALA 8 H ALA 8 -0.884 8.633 -1.222
54 HA ALA 8 HA ALA 8 -2.982 10.015 0.097
55 HB1 ALA 8 HB1 ALA 8 -0.653 8.467 1.287
56 HB2 ALA 8 HB2 ALA 8 -2.164 8.894 2.124
57 HB3 ALA 8 HB3 ALA 8 -2.198 7.771 0.744
58 H ARG 9 H ARG 9 0.474 10.682 -0.129
59 HA ARG 9 HA ARG 9 0.593 12.570 2.032
60 HB2 ARG 9 HB2 ARG 9 2.458 11.373 0.650
61 HB3 ARG 9 HB3 ARG 9 2.273 12.765 -0.443
62 HG2 ARG 9 HG2 ARG 9 4.063 13.284 1.052
63 HG3 ARG 9 HG3 ARG 9 2.660 14.263 1.545
64 HD2 ARG 9 HD2 ARG 9 2.194 12.821 3.397
65 HD3 ARG 9 HD3 ARG 9 3.340 11.591 2.812
66 HE ARG 9 HE ARG 9 3.949 13.988 4.349
67 HH11 ARG 9 HH11 ARG 9 5.176 11.554 2.132
68 HH12 ARG 9 HH12 ARG 9 6.843 11.766 2.630
69 HH21 ARG 9 HH21 ARG 9 6.111 14.260 4.987
70 HH22 ARG 9 HH22 ARG 9 7.372 13.295 4.243
71 H ARG 10 H ARG 10 -0.352 12.833 -1.367
72 HA ARG 10 HA ARG 10 -0.378 15.729 -1.393
73 HB2 ARG 10 HB2 ARG 10 -0.192 14.310 -3.406
74 HB3 ARG 10 HB3 ARG 10 -1.850 13.731 -3.122
75 HG2 ARG 10 HG2 ARG 10 -2.737 15.962 -3.457
76 HG3 ARG 10 HG3 ARG 10 -1.094 16.631 -3.594
77 HD2 ARG 10 HD2 ARG 10 -0.710 15.324 -5.633
78 HD3 ARG 10 HD3 ARG 10 -2.325 14.591 -5.484
79 HE ARG 10 HE ARG 10 -2.801 17.311 -5.539
80 HH11 ARG 10 HH11 ARG 10 -1.149 15.000 -7.607
81 HH12 ARG 10 HH12 ARG 10 -1.498 15.885 -9.079
82 HH21 ARG 10 HH21 ARG 10 -3.249 18.451 -7.451
83 HH22 ARG 10 HH22 ARG 10 -2.684 17.835 -8.992
84 H ASN 11 H ASN 11 -2.696 13.228 -0.489
85 HA ASN 11 HA ASN 11 -4.904 15.160 -0.306
86 HB2 ASN 11 HB2 ASN 11 -4.756 12.308 0.719
87 HB3 ASN 11 HB3 ASN 11 -6.216 13.280 0.415
88 HD21 ASN 11 HD22 ASN 11 -4.910 10.657 -0.687
89 HD22 ASN 11 HD21 ASN 11 -5.100 10.836 -2.420
90 H ARG 12 H ARG 12 -2.491 13.714 1.809
91 HA ARG 12 HA ARG 12 -3.660 14.142 4.320
92 HB2 ARG 12 HB2 ARG 12 -1.294 13.239 3.485
93 HB3 ARG 12 HB3 ARG 12 -0.806 14.891 3.931
94 HG2 ARG 12 HG2 ARG 12 -1.141 14.541 6.167
95 HG3 ARG 12 HG3 ARG 12 -2.449 13.364 5.897
96 HD2 ARG 12 HD2 ARG 12 -0.995 11.591 5.658
97 HD3 ARG 12 HD3 ARG 12 0.323 12.616 5.042
98 HE ARG 12 HE ARG 12 -0.126 13.323 7.734
99 HH11 ARG 12 HH11 ARG 12 0.961 10.571 5.840
100 HH12 ARG 12 HH12 ARG 12 1.997 9.951 7.111
101 HH21 ARG 12 HH21 ARG 12 1.220 12.516 9.375
102 HH22 ARG 12 HH22 ARG 12 2.143 11.050 9.109
103 H ARG 13 H ARG 13 -1.666 16.468 2.441
104 HA ARG 13 HA ARG 13 -2.071 18.614 4.319
105 HB2 ARG 13 HB2 ARG 13 -1.125 20.018 2.614
106 HB3 ARG 13 HB3 ARG 13 -0.197 18.505 2.741
107 HG2 ARG 13 HG2 ARG 13 -1.861 17.767 0.793
108 HG3 ARG 13 HG3 ARG 13 -1.919 19.524 0.518
109 HD2 ARG 13 HD2 ARG 13 0.671 17.960 0.744
110 HD3 ARG 13 HD3 ARG 13 -0.153 18.259 -0.805
111 HE ARG 13 HE ARG 13 0.082 20.764 0.272
112 HH11 ARG 13 HH11 ARG 13 2.332 18.132 -0.324
113 HH12 ARG 13 HH12 ARG 13 3.700 19.197 -0.579
114 HH21 ARG 13 HH21 ARG 13 1.859 22.138 -0.061
115 HH22 ARG 13 HH22 ARG 13 3.433 21.461 -0.431
116 H ARG 14 H ARG 14 -3.805 17.537 1.415
117 HA ARG 14 HA ARG 14 -5.449 19.824 1.070
118 HB2 ARG 14 HB2 ARG 14 -5.647 16.915 0.408
119 HB3 ARG 14 HB3 ARG 14 -7.093 17.939 0.243
120 HG2 ARG 14 HG2 ARG 14 -5.546 19.504 -1.131
121 HG3 ARG 14 HG3 ARG 14 -4.472 18.089 -1.243
122 HD2 ARG 14 HD2 ARG 14 -5.818 18.007 -3.195
123 HD3 ARG 14 HD3 ARG 14 -6.515 16.798 -2.090
124 HE ARG 14 HE ARG 14 -8.467 18.006 -2.066
125 HH11 ARG 14 HH11 ARG 14 -5.831 20.081 -3.110
126 HH12 ARG 14 HH12 ARG 14 -6.881 21.436 -3.475
127 HH21 ARG 14 HH21 ARG 14 -9.821 19.767 -2.543
128 HH22 ARG 14 HH22 ARG 14 -9.134 21.259 -3.154
129 H ARG 15 H ARG 15 -5.604 17.195 3.404
130 HA ARG 15 HA ARG 15 -8.277 17.385 4.235
131 HB2 ARG 15 HB2 ARG 15 -6.251 15.899 5.006
132 HB3 ARG 15 HB3 ARG 15 -6.072 17.163 6.246
133 HG2 ARG 15 HG2 ARG 15 -7.442 15.688 7.362
134 HG3 ARG 15 HG3 ARG 15 -8.655 16.739 6.591
135 HD2 ARG 15 HD2 ARG 15 -7.683 14.326 5.094
136 HD3 ARG 15 HD3 ARG 15 -8.825 14.088 6.438
137 HE ARG 15 HE ARG 15 -9.755 16.153 4.683
138 HH11 ARG 15 HH11 ARG 15 -9.371 12.670 4.944
139 HH12 ARG 15 HH12 ARG 15 -10.712 12.320 3.871
140 HH21 ARG 15 HH21 ARG 15 -11.491 15.692 3.294
141 HH22 ARG 15 HH22 ARG 15 -11.910 14.027 2.938
142 H TRP 16 H TRP 16 -5.528 19.493 5.042
143 HA TRP 16 HA TRP 16 -6.672 20.988 7.118
144 HB2 TRP 16 HB2 TRP 16 -4.756 21.723 4.881
145 HB3 TRP 16 HB3 TRP 16 -5.247 22.904 6.118
146 HD1 TRP 16 HD1 TRP 16 -4.735 19.352 7.041
147 HE1 TRP 16 HE1 TRP 16 -2.552 19.146 8.625
148 HE3 TRP 16 HE3 TRP 16 -3.016 24.114 6.560
149 HZ2 TRP 16 HZ2 TRP 16 -0.533 20.846 9.423
150 HZ3 TRP 16 HZ3 TRP 16 -1.012 24.799 7.707
151 HH2 TRP 16 HH2 TRP 16 0.269 23.218 9.142
152 H ARG 17 H ARG 17 -6.890 21.687 3.597
153 HA ARG 17 HA ARG 17 -8.607 23.930 3.850
154 HB2 ARG 17 HB2 ARG 17 -7.332 22.795 1.815
155 HB3 ARG 17 HB3 ARG 17 -8.923 22.037 1.567
156 HG2 ARG 17 HG2 ARG 17 -8.794 24.999 1.982
157 HG3 ARG 17 HG3 ARG 17 -8.276 24.342 0.411
158 HD2 ARG 17 HD2 ARG 17 -10.416 23.335 0.031
159 HD3 ARG 17 HD3 ARG 17 -10.933 23.655 1.703
160 HE ARG 17 HE ARG 17 -11.032 25.479 -0.545
161 HH11 ARG 17 HH11 ARG 17 -10.757 25.223 2.949
162 HH12 ARG 17 HH12 ARG 17 -11.422 26.818 3.240
163 HH21 ARG 17 HH21 ARG 17 -11.891 27.546 -0.159
164 HH22 ARG 17 HH22 ARG 17 -12.063 28.131 1.484
165 H GLU 18 H GLU 18 -9.464 20.495 3.221
166 HA GLU 18 HA GLU 18 -12.248 20.800 3.153
167 HB2 GLU 18 HB2 GLU 18 -10.423 18.598 4.068
168 HB3 GLU 18 HB3 GLU 18 -12.188 18.445 4.241
169 HG2 GLU 18 HG2 GLU 18 -10.937 19.174 1.603
170 HG3 GLU 18 HG3 GLU 18 -11.026 17.477 2.131
171 H ARG 19 H ARG 19 -10.144 20.370 6.015
172 HA ARG 19 HA ARG 19 -12.306 20.343 7.907
173 HB2 ARG 19 HB2 ARG 19 -9.735 19.731 8.067
174 HB3 ARG 19 HB3 ARG 19 -9.611 21.427 8.594
175 HG2 ARG 19 HG2 ARG 19 -9.876 20.346 10.621
176 HG3 ARG 19 HG3 ARG 19 -11.559 20.764 10.221
177 HD2 ARG 19 HD2 ARG 19 -11.556 18.400 9.059
178 HD3 ARG 19 HD3 ARG 19 -10.178 18.090 10.142
179 HE ARG 19 HE ARG 19 -12.241 19.160 11.719
180 HH11 ARG 19 HH11 ARG 19 -11.629 16.326 9.734
181 HH12 ARG 19 HH12 ARG 19 -12.680 15.289 10.678
182 HH21 ARG 19 HH21 ARG 19 -13.599 17.808 12.939
183 HH22 ARG 19 HH22 ARG 19 -13.793 16.126 12.488
184 H GLN 20 H GLN 20 -10.186 22.968 6.705
185 HA GLN 20 HA GLN 20 -11.220 25.019 8.368
186 HB2 GLN 20 HB2 GLN 20 -9.243 24.887 6.596
187 HB3 GLN 20 HB3 GLN 20 -10.483 25.607 5.542
188 HG2 GLN 20 HG2 GLN 20 -9.488 27.514 6.377
189 HG3 GLN 20 HG3 GLN 20 -10.785 27.270 7.570
190 HE21 GLN 20 HE22 GLN 20 -7.363 26.384 6.940
191 HE22 GLN 20 HE21 GLN 20 -6.851 26.493 8.613
192 H ARG 21 H ARG 21 -12.572 23.472 5.532
193 HA ARG 21 HA ARG 21 -14.382 25.418 4.644
194 HB2 ARG 21 HB2 ARG 21 -13.873 22.926 3.923
195 HB3 ARG 21 HB3 ARG 21 -15.286 22.588 4.950
196 HG2 ARG 21 HG2 ARG 21 -16.484 24.406 3.580
197 HG3 ARG 21 HG3 ARG 21 -15.132 24.254 2.433
198 HD2 ARG 21 HD2 ARG 21 -15.690 21.680 2.592
199 HD3 ARG 21 HD3 ARG 21 -17.278 22.269 3.140
200 HE ARG 21 HE ARG 21 -16.247 22.297 0.452
201 HH11 ARG 21 HH11 ARG 21 -18.274 24.048 2.727
202 HH12 ARG 21 HH12 ARG 21 -19.260 24.777 1.474
203 HH21 ARG 21 HH21 ARG 21 -17.530 23.246 -1.166
204 HH22 ARG 21 HH22 ARG 21 -18.840 24.324 -0.725
205 H ALA 22 H ALA 22 -14.495 23.448 7.568
206 HA ALA 22 HA ALA 22 -17.241 23.955 8.186
207 HB1 ALA 22 HB1 ALA 22 -14.905 23.358 10.036
208 HB2 ALA 22 HB2 ALA 22 -16.630 23.230 10.452
209 HB3 ALA 22 HB3 ALA 22 -15.929 22.148 9.226
210 H ALA 23 H ALA 23 -14.234 25.706 8.950
211 HA ALA 23 HA ALA 23 -15.704 27.684 10.536
212 HB1 ALA 23 HB1 ALA 23 -12.819 27.622 9.581
213 HB2 ALA 23 HB2 ALA 23 -13.506 28.758 10.767
214 HB3 ALA 23 HB3 ALA 23 -13.411 27.022 11.149
215 H ALA 24 H ALA 24 -13.806 27.756 7.479
216 HA ALA 24 HA ALA 24 -14.494 30.418 6.806
217 HB1 ALA 24 HB1 ALA 24 -13.858 28.083 4.968
218 HB2 ALA 24 HB2 ALA 24 -13.800 29.807 4.530
219 HB3 ALA 24 HB3 ALA 24 -12.666 29.157 5.738
220 H ALA 25 H ALA 25 -16.133 27.339 6.060
221 HA ALA 25 HA ALA 25 -18.401 28.956 4.981
222 HB1 ALA 25 HB1 ALA 25 -17.658 26.057 4.452
223 HB2 ALA 25 HB2 ALA 25 -19.045 26.927 3.754
224 HB3 ALA 25 HB3 ALA 25 -17.386 27.422 3.343
225 H ARG 26 H ARG 26 -20.068 29.180 6.280
226 HA ARG 26 HA ARG 26 -20.414 27.412 8.587
227 HB2 ARG 26 HB2 ARG 26 -22.185 29.613 7.507
228 HB3 ARG 26 HB3 ARG 26 -22.290 28.848 9.110
229 HG2 ARG 26 HG2 ARG 26 -19.895 30.420 8.114
230 HG3 ARG 26 HG3 ARG 26 -21.199 31.108 9.111
231 HD2 ARG 26 HD2 ARG 26 -19.577 28.686 9.949
232 HD3 ARG 26 HD3 ARG 26 -19.114 30.353 10.367
233 HE ARG 26 HE ARG 26 -21.829 29.869 11.120
234 HH11 ARG 26 HH11 ARG 26 -18.520 29.086 12.006
235 HH12 ARG 26 HH12 ARG 26 -18.902 28.851 13.701
236 HH21 ARG 26 HH21 ARG 26 -22.314 29.564 13.318
237 HH22 ARG 26 HH22 ARG 26 -21.043 29.121 14.442
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -1.962 1.137 -1.519
2 H2 GLY 1 H2 GLY 1 -2.691 -0.315 -1.750
3 H3 GLY 1 H3 GLY 1 -2.699 0.936 -2.972
4 HA2 GLY 1 HA2 GLY 1 -1.031 -1.179 -2.624
5 HA3 GLY 1 HA3 GLY 1 -1.039 0.094 -3.867
6 H ALA 2 H ALA 2 1.367 -0.938 -3.095
7 HA ALA 2 HA ALA 2 2.593 0.452 -0.923
8 HB1 ALA 2 HB1 ALA 2 3.841 -0.711 -3.438
9 HB2 ALA 2 HB2 ALA 2 4.707 -0.265 -1.949
10 HB3 ALA 2 HB3 ALA 2 3.525 -1.595 -1.927
11 H MET 3 H MET 3 1.955 1.349 -4.263
12 HA MET 3 HA MET 3 3.728 3.690 -4.127
13 HB2 MET 3 HB2 MET 3 1.750 2.627 -6.144
14 HB3 MET 3 HB3 MET 3 2.564 4.199 -6.326
15 HG2 MET 3 HG2 MET 3 4.040 1.581 -5.970
16 HG3 MET 3 HG3 MET 3 3.615 2.253 -7.562
17 HE1 MET 3 HE1 MET 3 6.530 1.652 -7.383
18 HE2 MET 3 HE2 MET 3 7.597 2.741 -6.464
19 HE3 MET 3 HE3 MET 3 6.501 1.634 -5.603
20 H ALA 4 H ALA 4 0.353 2.922 -3.552
21 HA ALA 4 HA ALA 4 -0.815 5.443 -3.821
22 HB1 ALA 4 HB1 ALA 4 -1.366 3.359 -1.679
23 HB2 ALA 4 HB2 ALA 4 -2.458 4.679 -2.162
24 HB3 ALA 4 HB3 ALA 4 -2.066 3.382 -3.316
25 H THR 5 H THR 5 1.260 4.225 -1.224
26 HA THR 5 HA THR 5 0.791 6.189 0.742
27 HB THR 5 HB THR 5 2.299 4.181 0.986
28 HG1 THR 5 HG1 THR 5 3.807 5.348 2.297
29 HG21 THR 5 HG21 THR 5 4.247 5.954 -0.544
30 HG22 THR 5 HG22 THR 5 4.651 4.419 0.261
31 HG23 THR 5 HG23 THR 5 3.546 4.428 -1.134
32 H ARG 6 H ARG 6 2.552 6.462 -2.295
33 HA ARG 6 HA ARG 6 3.888 8.923 -1.681
34 HB2 ARG 6 HB2 ARG 6 4.080 7.192 -3.672
35 HB3 ARG 6 HB3 ARG 6 2.914 8.300 -4.433
36 HG2 ARG 6 HG2 ARG 6 4.425 10.107 -4.387
37 HG3 ARG 6 HG3 ARG 6 5.483 9.302 -3.204
38 HD2 ARG 6 HD2 ARG 6 6.151 7.653 -4.879
39 HD3 ARG 6 HD3 ARG 6 5.034 8.372 -6.063
40 HE ARG 6 HE ARG 6 6.892 10.330 -5.085
41 HH11 ARG 6 HH11 ARG 6 6.591 7.565 -7.232
42 HH12 ARG 6 HH12 ARG 6 7.876 8.100 -8.299
43 HH21 ARG 6 HH21 ARG 6 8.555 11.016 -6.471
44 HH22 ARG 6 HH22 ARG 6 8.985 10.049 -7.869
45 H GLN 7 H GLN 7 0.940 8.392 -3.678
46 HA GLN 7 HA GLN 7 0.268 11.144 -3.870
47 HB2 GLN 7 HB2 GLN 7 -0.639 9.210 -5.209
48 HB3 GLN 7 HB3 GLN 7 -1.656 8.816 -3.802
49 HG2 GLN 7 HG2 GLN 7 -2.966 10.091 -5.392
50 HG3 GLN 7 HG3 GLN 7 -2.667 11.088 -3.948
51 HE21 GLN 7 HE22 GLN 7 -2.105 13.124 -4.322
52 HE22 GLN 7 HE21 GLN 7 -1.301 13.715 -5.763
53 H ALA 8 H ALA 8 -0.210 8.838 -1.272
54 HA ALA 8 HA ALA 8 -2.299 10.107 0.115
55 HB1 ALA 8 HB1 ALA 8 0.127 8.676 1.255
56 HB2 ALA 8 HB2 ALA 8 -1.398 9.000 2.113
57 HB3 ALA 8 HB3 ALA 8 -1.381 7.901 0.713
58 H ARG 9 H ARG 9 1.175 10.861 0.057
59 HA ARG 9 HA ARG 9 1.309 12.677 2.185
60 HB2 ARG 9 HB2 ARG 9 3.056 11.809 0.389
61 HB3 ARG 9 HB3 ARG 9 2.647 13.354 -0.393
62 HG2 ARG 9 HG2 ARG 9 3.652 14.608 1.231
63 HG3 ARG 9 HG3 ARG 9 3.286 13.432 2.515
64 HD2 ARG 9 HD2 ARG 9 5.558 13.108 2.354
65 HD3 ARG 9 HD3 ARG 9 5.009 11.939 1.130
66 HE ARG 9 HE ARG 9 5.991 13.227 -0.512
67 HH11 ARG 9 HH11 ARG 9 5.680 15.101 2.444
68 HH12 ARG 9 HH12 ARG 9 6.622 16.447 1.833
69 HH21 ARG 9 HH21 ARG 9 7.214 14.972 -1.294
70 HH22 ARG 9 HH22 ARG 9 7.489 16.374 -0.279
71 H ARG 10 H ARG 10 0.122 13.227 -1.132
72 HA ARG 10 HA ARG 10 -0.295 16.063 -0.738
73 HB2 ARG 10 HB2 ARG 10 -1.410 14.070 -2.720
74 HB3 ARG 10 HB3 ARG 10 -1.713 15.823 -2.778
75 HG2 ARG 10 HG2 ARG 10 1.121 14.873 -2.672
76 HG3 ARG 10 HG3 ARG 10 0.229 14.679 -4.199
77 HD2 ARG 10 HD2 ARG 10 -0.272 17.071 -4.245
78 HD3 ARG 10 HD3 ARG 10 0.530 17.290 -2.671
79 HE ARG 10 HE ARG 10 2.359 16.115 -4.511
80 HH11 ARG 10 HH11 ARG 10 0.689 19.133 -3.841
81 HH12 ARG 10 HH12 ARG 10 1.941 20.126 -4.561
82 HH21 ARG 10 HH21 ARG 10 3.978 17.409 -5.440
83 HH22 ARG 10 HH22 ARG 10 3.799 19.153 -5.464
84 H ASN 11 H ASN 11 -2.534 13.252 -0.783
85 HA ASN 11 HA ASN 11 -4.906 14.641 -0.225
86 HB2 ASN 11 HB2 ASN 11 -3.893 11.872 0.325
87 HB3 ASN 11 HB3 ASN 11 -5.404 12.399 1.103
88 HD21 ASN 11 HD22 ASN 11 -4.311 10.663 -1.396
89 HD22 ASN 11 HD21 ASN 11 -5.559 10.977 -2.587
90 H ARG 12 H ARG 12 -2.338 13.619 2.010
91 HA ARG 12 HA ARG 12 -3.666 14.110 4.448
92 HB2 ARG 12 HB2 ARG 12 -0.794 14.381 3.577
93 HB3 ARG 12 HB3 ARG 12 -1.314 14.720 5.245
94 HG2 ARG 12 HG2 ARG 12 -2.236 12.413 5.381
95 HG3 ARG 12 HG3 ARG 12 -1.588 12.090 3.755
96 HD2 ARG 12 HD2 ARG 12 -0.082 11.229 5.508
97 HD3 ARG 12 HD3 ARG 12 0.692 12.524 4.564
98 HE ARG 12 HE ARG 12 -0.572 13.621 6.879
99 HH11 ARG 12 HH11 ARG 12 2.185 11.686 5.879
100 HH12 ARG 12 HH12 ARG 12 3.179 12.184 7.234
101 HH21 ARG 12 HH21 ARG 12 0.724 14.262 8.630
102 HH22 ARG 12 HH22 ARG 12 2.355 13.638 8.788
103 H ARG 13 H ARG 13 -1.946 16.391 2.303
104 HA ARG 13 HA ARG 13 -2.327 18.649 4.075
105 HB2 ARG 13 HB2 ARG 13 -1.425 18.192 1.267
106 HB3 ARG 13 HB3 ARG 13 -1.942 19.829 1.738
107 HG2 ARG 13 HG2 ARG 13 0.376 19.844 2.097
108 HG3 ARG 13 HG3 ARG 13 -0.315 19.572 3.714
109 HD2 ARG 13 HD2 ARG 13 -0.011 17.070 3.254
110 HD3 ARG 13 HD3 ARG 13 0.989 17.556 1.864
111 HE ARG 13 HE ARG 13 2.695 18.126 3.309
112 HH11 ARG 13 HH11 ARG 13 -0.308 17.739 5.092
113 HH12 ARG 13 HH12 ARG 13 0.467 17.850 6.660
114 HH21 ARG 13 HH21 ARG 13 3.692 18.268 5.345
115 HH22 ARG 13 HH22 ARG 13 2.727 18.148 6.804
116 H ARG 14 H ARG 14 -4.149 17.274 1.352
117 HA ARG 14 HA ARG 14 -5.957 19.441 0.990
118 HB2 ARG 14 HB2 ARG 14 -5.528 17.156 -0.292
119 HB3 ARG 14 HB3 ARG 14 -6.884 16.620 0.729
120 HG2 ARG 14 HG2 ARG 14 -8.103 18.723 -0.137
121 HG3 ARG 14 HG3 ARG 14 -6.839 18.772 -1.389
122 HD2 ARG 14 HD2 ARG 14 -7.437 16.395 -1.970
123 HD3 ARG 14 HD3 ARG 14 -8.813 16.528 -0.848
124 HE ARG 14 HE ARG 14 -8.755 18.637 -2.839
125 HH11 ARG 14 HH11 ARG 14 -9.708 15.324 -2.163
126 HH12 ARG 14 HH12 ARG 14 -10.977 15.314 -3.373
127 HH21 ARG 14 HH21 ARG 14 -10.400 18.615 -4.405
128 HH22 ARG 14 HH22 ARG 14 -11.368 17.172 -4.639
129 H ARG 15 H ARG 15 -5.895 16.809 3.353
130 HA ARG 15 HA ARG 15 -8.533 16.979 4.319
131 HB2 ARG 15 HB2 ARG 15 -6.503 15.445 4.937
132 HB3 ARG 15 HB3 ARG 15 -6.209 16.680 6.184
133 HG2 ARG 15 HG2 ARG 15 -8.262 16.250 7.258
134 HG3 ARG 15 HG3 ARG 15 -8.909 15.369 5.853
135 HD2 ARG 15 HD2 ARG 15 -7.447 13.506 6.247
136 HD3 ARG 15 HD3 ARG 15 -6.532 14.410 7.477
137 HE ARG 15 HE ARG 15 -9.324 14.158 8.164
138 HH11 ARG 15 HH11 ARG 15 -6.228 12.498 8.136
139 HH12 ARG 15 HH12 ARG 15 -6.645 11.444 9.473
140 HH21 ARG 15 HH21 ARG 15 -9.856 12.788 9.896
141 HH22 ARG 15 HH22 ARG 15 -8.693 11.607 10.467
142 H TRP 16 H TRP 16 -5.793 19.142 4.842
143 HA TRP 16 HA TRP 16 -6.946 20.581 7.051
144 HB2 TRP 16 HB2 TRP 16 -4.542 20.708 6.549
145 HB3 TRP 16 HB3 TRP 16 -4.891 21.437 4.963
146 HD1 TRP 16 HD1 TRP 16 -5.585 22.184 8.602
147 HE1 TRP 16 HE1 TRP 16 -5.341 24.850 8.986
148 HE3 TRP 16 HE3 TRP 16 -4.611 23.539 3.797
149 HZ2 TRP 16 HZ2 TRP 16 -4.815 27.030 7.378
150 HZ3 TRP 16 HZ3 TRP 16 -4.249 25.855 3.245
151 HH2 TRP 16 HH2 TRP 16 -4.338 27.636 4.981
152 H ARG 17 H ARG 17 -6.788 21.364 3.545
153 HA ARG 17 HA ARG 17 -8.278 23.742 3.640
154 HB2 ARG 17 HB2 ARG 17 -7.074 22.413 1.698
155 HB3 ARG 17 HB3 ARG 17 -8.720 21.794 1.419
156 HG2 ARG 17 HG2 ARG 17 -7.989 24.736 1.540
157 HG3 ARG 17 HG3 ARG 17 -8.120 23.797 0.033
158 HD2 ARG 17 HD2 ARG 17 -10.500 23.176 0.992
159 HD3 ARG 17 HD3 ARG 17 -10.274 24.662 1.945
160 HE ARG 17 HE ARG 17 -10.777 24.453 -0.917
161 HH11 ARG 17 HH11 ARG 17 -9.503 26.428 1.694
162 HH12 ARG 17 HH12 ARG 17 -9.727 27.935 0.828
163 HH21 ARG 17 HH21 ARG 17 -11.067 26.411 -2.033
164 HH22 ARG 17 HH22 ARG 17 -10.611 27.925 -1.278
165 H GLU 18 H GLU 18 -9.461 20.374 3.402
166 HA GLU 18 HA GLU 18 -12.220 21.041 3.126
167 HB2 GLU 18 HB2 GLU 18 -10.734 18.648 4.199
168 HB3 GLU 18 HB3 GLU 18 -12.512 18.731 4.196
169 HG2 GLU 18 HG2 GLU 18 -10.926 19.217 1.685
170 HG3 GLU 18 HG3 GLU 18 -11.286 17.561 2.228
171 H ARG 19 H ARG 19 -10.101 20.924 5.932
172 HA ARG 19 HA ARG 19 -12.228 20.916 7.893
173 HB2 ARG 19 HB2 ARG 19 -9.721 20.319 8.127
174 HB3 ARG 19 HB3 ARG 19 -9.485 22.074 8.300
175 HG2 ARG 19 HG2 ARG 19 -10.546 22.160 10.343
176 HG3 ARG 19 HG3 ARG 19 -11.554 20.735 9.998
177 HD2 ARG 19 HD2 ARG 19 -9.689 19.246 10.351
178 HD3 ARG 19 HD3 ARG 19 -8.557 20.614 10.471
179 HE ARG 19 HE ARG 19 -10.357 21.091 12.486
180 HH11 ARG 19 HH11 ARG 19 -8.365 18.352 11.552
181 HH12 ARG 19 HH12 ARG 19 -8.178 17.773 13.196
182 HH21 ARG 19 HH21 ARG 19 -10.109 20.334 14.614
183 HH22 ARG 19 HH22 ARG 19 -9.163 18.892 14.925
184 H GLN 20 H GLN 20 -10.520 23.430 6.089
185 HA GLN 20 HA GLN 20 -11.277 25.666 7.660
186 HB2 GLN 20 HB2 GLN 20 -9.778 25.330 5.478
187 HB3 GLN 20 HB3 GLN 20 -11.277 25.880 4.692
188 HG2 GLN 20 HG2 GLN 20 -10.406 27.943 5.034
189 HG3 GLN 20 HG3 GLN 20 -11.053 27.725 6.678
190 HE21 GLN 20 HE22 GLN 20 -9.467 26.421 8.157
191 HE22 GLN 20 HE21 GLN 20 -7.806 26.980 8.117
192 H ARG 21 H ARG 21 -13.146 23.676 5.464
193 HA ARG 21 HA ARG 21 -15.245 25.408 4.797
194 HB2 ARG 21 HB2 ARG 21 -14.750 22.869 4.285
195 HB3 ARG 21 HB3 ARG 21 -15.835 22.612 5.672
196 HG2 ARG 21 HG2 ARG 21 -17.367 24.320 4.333
197 HG3 ARG 21 HG3 ARG 21 -16.423 23.717 2.950
198 HD2 ARG 21 HD2 ARG 21 -17.010 21.368 3.727
199 HD3 ARG 21 HD3 ARG 21 -18.154 22.119 4.865
200 HE ARG 21 HE ARG 21 -18.652 23.120 2.252
201 HH11 ARG 21 HH11 ARG 21 -18.917 20.172 4.146
202 HH12 ARG 21 HH12 ARG 21 -20.279 19.561 3.228
203 HH21 ARG 21 HH21 ARG 21 -20.419 22.322 1.070
204 HH22 ARG 21 HH22 ARG 21 -21.128 20.775 1.491
205 H ALA 22 H ALA 22 -14.548 23.845 7.885
206 HA ALA 22 HA ALA 22 -17.105 24.378 9.066
207 HB1 ALA 22 HB1 ALA 22 -14.384 24.017 10.372
208 HB2 ALA 22 HB2 ALA 22 -15.961 23.923 11.192
209 HB3 ALA 22 HB3 ALA 22 -15.525 22.714 9.962
210 H ALA 23 H ALA 23 -14.096 26.251 8.837
211 HA ALA 23 HA ALA 23 -15.178 28.368 10.543
212 HB1 ALA 23 HB1 ALA 23 -12.667 28.261 8.835
213 HB2 ALA 23 HB2 ALA 23 -13.061 29.510 10.040
214 HB3 ALA 23 HB3 ALA 23 -12.774 27.832 10.559
215 H ALA 24 H ALA 24 -14.194 28.134 7.091
216 HA ALA 24 HA ALA 24 -15.216 30.686 6.381
217 HB1 ALA 24 HB1 ALA 24 -14.878 28.202 4.664
218 HB2 ALA 24 HB2 ALA 24 -15.070 29.868 4.069
219 HB3 ALA 24 HB3 ALA 24 -13.621 29.417 4.999
220 H ALA 25 H ALA 25 -16.738 27.459 6.360
221 HA ALA 25 HA ALA 25 -19.321 28.812 5.723
222 HB1 ALA 25 HB1 ALA 25 -18.510 25.901 5.409
223 HB2 ALA 25 HB2 ALA 25 -20.087 26.602 4.975
224 HB3 ALA 25 HB3 ALA 25 -18.621 27.099 4.098
225 H ARG 26 H ARG 26 -20.760 29.044 7.272
226 HA ARG 26 HA ARG 26 -20.349 27.704 9.851
227 HB2 ARG 26 HB2 ARG 26 -22.568 29.531 8.909
228 HB3 ARG 26 HB3 ARG 26 -22.216 29.053 10.587
229 HG2 ARG 26 HG2 ARG 26 -19.901 30.125 10.192
230 HG3 ARG 26 HG3 ARG 26 -20.648 30.886 8.768
231 HD2 ARG 26 HD2 ARG 26 -21.960 31.077 11.479
232 HD3 ARG 26 HD3 ARG 26 -20.634 32.179 11.037
233 HE ARG 26 HE ARG 26 -23.366 32.282 10.119
234 HH11 ARG 26 HH11 ARG 26 -20.033 32.931 9.216
235 HH12 ARG 26 HH12 ARG 26 -20.461 34.180 8.063
236 HH21 ARG 26 HH21 ARG 26 -23.913 33.901 8.623
237 HH22 ARG 26 HH22 ARG 26 -22.653 34.728 7.728
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 4.204 -0.513 -1.992
2 H2 GLY 1 H2 GLY 1 2.830 -1.344 -2.337
3 H3 GLY 1 H3 GLY 1 3.906 -1.819 -1.042
4 HA2 GLY 1 HA2 GLY 1 1.670 -0.276 -1.001
5 HA3 GLY 1 HA3 GLY 1 2.765 -0.760 0.316
6 H ALA 2 H ALA 2 5.047 0.555 -1.245
7 HA ALA 2 HA ALA 2 4.893 3.099 0.073
8 HB1 ALA 2 HB1 ALA 2 6.791 2.126 -2.092
9 HB2 ALA 2 HB2 ALA 2 7.029 3.551 -1.054
10 HB3 ALA 2 HB3 ALA 2 7.017 1.922 -0.338
11 H MET 3 H MET 3 4.092 2.000 -3.169
12 HA MET 3 HA MET 3 4.011 4.626 -4.370
13 HB2 MET 3 HB2 MET 3 2.952 3.568 -6.196
14 HB3 MET 3 HB3 MET 3 4.186 2.443 -5.579
15 HG2 MET 3 HG2 MET 3 2.277 1.363 -4.248
16 HG3 MET 3 HG3 MET 3 1.182 2.295 -5.297
17 HE1 MET 3 HE1 MET 3 2.707 -1.018 -4.747
18 HE2 MET 3 HE2 MET 3 3.417 -1.547 -6.291
19 HE3 MET 3 HE3 MET 3 4.211 -0.272 -5.337
20 H ALA 4 H ALA 4 1.705 2.683 -2.527
21 HA ALA 4 HA ALA 4 -0.595 4.263 -3.181
22 HB1 ALA 4 HB1 ALA 4 -0.022 2.565 -0.727
23 HB2 ALA 4 HB2 ALA 4 -1.619 3.161 -1.239
24 HB3 ALA 4 HB3 ALA 4 -0.740 1.988 -2.249
25 H THR 5 H THR 5 1.796 4.436 -0.535
26 HA THR 5 HA THR 5 0.473 6.570 0.882
27 HB THR 5 HB THR 5 3.001 6.947 1.625
28 HG1 THR 5 HG1 THR 5 4.162 4.958 1.394
29 HG21 THR 5 HG21 THR 5 1.425 4.435 2.322
30 HG22 THR 5 HG22 THR 5 2.730 5.148 3.299
31 HG23 THR 5 HG23 THR 5 1.207 6.038 3.064
32 H ARG 6 H ARG 6 2.587 6.509 -1.915
33 HA ARG 6 HA ARG 6 3.542 9.147 -1.901
34 HB2 ARG 6 HB2 ARG 6 3.874 7.161 -3.559
35 HB3 ARG 6 HB3 ARG 6 2.483 7.880 -4.404
36 HG2 ARG 6 HG2 ARG 6 4.859 9.570 -3.654
37 HG3 ARG 6 HG3 ARG 6 4.910 8.546 -5.108
38 HD2 ARG 6 HD2 ARG 6 2.755 9.643 -5.843
39 HD3 ARG 6 HD3 ARG 6 2.945 10.777 -4.484
40 HE ARG 6 HE ARG 6 4.484 11.936 -5.729
41 HH11 ARG 6 HH11 ARG 6 4.213 8.666 -6.983
42 HH12 ARG 6 HH12 ARG 6 5.275 8.970 -8.344
43 HH21 ARG 6 HH21 ARG 6 5.860 12.323 -7.495
44 HH22 ARG 6 HH22 ARG 6 6.206 11.036 -8.634
45 H GLN 7 H GLN 7 0.532 8.012 -3.517
46 HA GLN 7 HA GLN 7 -0.387 10.672 -4.077
47 HB2 GLN 7 HB2 GLN 7 -1.140 8.673 -5.278
48 HB3 GLN 7 HB3 GLN 7 -1.916 8.077 -3.792
49 HG2 GLN 7 HG2 GLN 7 -3.626 9.643 -3.892
50 HG3 GLN 7 HG3 GLN 7 -2.663 10.781 -4.863
51 HE21 GLN 7 HE22 GLN 7 -2.165 10.110 -7.125
52 HE22 GLN 7 HE21 GLN 7 -3.399 9.225 -8.000
53 H ALA 8 H ALA 8 -0.619 8.613 -1.245
54 HA ALA 8 HA ALA 8 -2.816 9.748 0.051
55 HB1 ALA 8 HB1 ALA 8 -0.182 8.865 1.283
56 HB2 ALA 8 HB2 ALA 8 -1.728 9.061 2.143
57 HB3 ALA 8 HB3 ALA 8 -1.559 7.805 0.894
58 H ARG 9 H ARG 9 0.507 11.002 -0.195
59 HA ARG 9 HA ARG 9 0.362 13.085 1.675
60 HB2 ARG 9 HB2 ARG 9 1.620 13.301 -1.059
61 HB3 ARG 9 HB3 ARG 9 2.081 14.155 0.433
62 HG2 ARG 9 HG2 ARG 9 2.289 11.493 1.148
63 HG3 ARG 9 HG3 ARG 9 2.851 11.495 -0.540
64 HD2 ARG 9 HD2 ARG 9 4.064 13.743 0.607
65 HD3 ARG 9 HD3 ARG 9 4.171 12.490 1.866
66 HE ARG 9 HE ARG 9 5.749 11.403 0.598
67 HH11 ARG 9 HH11 ARG 9 3.927 13.605 -1.445
68 HH12 ARG 9 HH12 ARG 9 4.939 13.332 -2.850
69 HH21 ARG 9 HH21 ARG 9 7.055 11.055 -1.226
70 HH22 ARG 9 HH22 ARG 9 6.707 11.891 -2.727
71 H ARG 10 H ARG 10 -0.848 13.019 -1.681
72 HA ARG 10 HA ARG 10 -1.607 15.753 -1.830
73 HB2 ARG 10 HB2 ARG 10 -3.047 13.408 -3.077
74 HB3 ARG 10 HB3 ARG 10 -3.017 15.096 -3.640
75 HG2 ARG 10 HG2 ARG 10 -0.563 14.858 -4.045
76 HG3 ARG 10 HG3 ARG 10 -0.701 13.135 -3.620
77 HD2 ARG 10 HD2 ARG 10 -0.917 12.973 -5.905
78 HD3 ARG 10 HD3 ARG 10 -2.625 13.215 -5.466
79 HE ARG 10 HE ARG 10 -1.613 15.767 -5.857
80 HH11 ARG 10 HH11 ARG 10 -1.874 12.813 -7.740
81 HH12 ARG 10 HH12 ARG 10 -1.996 13.656 -9.272
82 HH21 ARG 10 HH21 ARG 10 -1.774 16.852 -7.846
83 HH22 ARG 10 HH22 ARG 10 -1.939 15.938 -9.332
84 H ASN 11 H ASN 11 -3.780 12.951 -1.210
85 HA ASN 11 HA ASN 11 -6.011 14.501 -0.431
86 HB2 ASN 11 HB2 ASN 11 -5.151 11.719 0.437
87 HB3 ASN 11 HB3 ASN 11 -6.757 12.426 0.733
88 HD21 ASN 11 HD22 ASN 11 -4.635 10.905 -1.559
89 HD22 ASN 11 HD21 ASN 11 -5.776 10.815 -2.886
90 H ARG 12 H ARG 12 -3.203 13.425 1.444
91 HA ARG 12 HA ARG 12 -4.125 13.911 4.044
92 HB2 ARG 12 HB2 ARG 12 -1.534 13.880 2.647
93 HB3 ARG 12 HB3 ARG 12 -1.572 14.867 4.127
94 HG2 ARG 12 HG2 ARG 12 -2.372 11.946 3.926
95 HG3 ARG 12 HG3 ARG 12 -0.823 12.549 4.561
96 HD2 ARG 12 HD2 ARG 12 -2.181 13.888 6.248
97 HD3 ARG 12 HD3 ARG 12 -3.600 12.955 5.714
98 HE ARG 12 HE ARG 12 -2.831 11.141 6.911
99 HH11 ARG 12 HH11 ARG 12 -0.240 13.478 6.501
100 HH12 ARG 12 HH12 ARG 12 0.855 12.636 7.581
101 HH21 ARG 12 HH21 ARG 12 -1.408 10.058 8.312
102 HH22 ARG 12 HH22 ARG 12 0.195 10.705 8.604
103 H ARG 13 H ARG 13 -2.541 16.277 1.848
104 HA ARG 13 HA ARG 13 -3.013 18.484 3.664
105 HB2 ARG 13 HB2 ARG 13 -2.522 18.639 0.694
106 HB3 ARG 13 HB3 ARG 13 -2.151 19.851 1.944
107 HG2 ARG 13 HG2 ARG 13 -0.807 17.150 1.602
108 HG3 ARG 13 HG3 ARG 13 -0.112 18.729 1.165
109 HD2 ARG 13 HD2 ARG 13 -0.963 18.951 3.857
110 HD3 ARG 13 HD3 ARG 13 -0.131 17.384 3.727
111 HE ARG 13 HE ARG 13 1.877 18.487 3.390
112 HH11 ARG 13 HH11 ARG 13 -0.811 20.731 3.095
113 HH12 ARG 13 HH12 ARG 13 0.219 22.149 3.064
114 HH21 ARG 13 HH21 ARG 13 3.204 20.329 3.349
115 HH22 ARG 13 HH22 ARG 13 2.487 21.922 3.207
116 H ARG 14 H ARG 14 -4.715 17.168 0.830
117 HA ARG 14 HA ARG 14 -6.565 19.291 0.483
118 HB2 ARG 14 HB2 ARG 14 -6.945 16.317 0.073
119 HB3 ARG 14 HB3 ARG 14 -7.986 17.604 -0.581
120 HG2 ARG 14 HG2 ARG 14 -5.051 17.641 -1.198
121 HG3 ARG 14 HG3 ARG 14 -6.099 16.490 -2.061
122 HD2 ARG 14 HD2 ARG 14 -6.939 19.368 -1.868
123 HD3 ARG 14 HD3 ARG 14 -5.666 18.918 -3.028
124 HE ARG 14 HE ARG 14 -8.007 17.220 -3.210
125 HH11 ARG 14 HH11 ARG 14 -6.591 20.289 -4.169
126 HH12 ARG 14 HH12 ARG 14 -7.572 20.429 -5.615
127 HH21 ARG 14 HH21 ARG 14 -9.276 17.409 -5.086
128 HH22 ARG 14 HH22 ARG 14 -9.089 18.803 -6.133
129 H ARG 15 H ARG 15 -6.577 16.538 2.728
130 HA ARG 15 HA ARG 15 -9.263 16.868 3.645
131 HB2 ARG 15 HB2 ARG 15 -7.422 15.008 4.027
132 HB3 ARG 15 HB3 ARG 15 -7.077 15.981 5.476
133 HG2 ARG 15 HG2 ARG 15 -9.392 15.738 6.217
134 HG3 ARG 15 HG3 ARG 15 -9.784 14.822 4.743
135 HD2 ARG 15 HD2 ARG 15 -7.807 13.272 5.556
136 HD3 ARG 15 HD3 ARG 15 -8.167 13.996 7.141
137 HE ARG 15 HE ARG 15 -10.069 12.709 7.259
138 HH11 ARG 15 HH11 ARG 15 -8.983 12.887 3.922
139 HH12 ARG 15 HH12 ARG 15 -10.167 11.730 3.347
140 HH21 ARG 15 HH21 ARG 15 -11.598 11.209 6.508
141 HH22 ARG 15 HH22 ARG 15 -11.646 10.781 4.809
142 H TRP 16 H TRP 16 -6.216 18.425 4.581
143 HA TRP 16 HA TRP 16 -7.203 19.699 6.943
144 HB2 TRP 16 HB2 TRP 16 -4.752 19.456 6.057
145 HB3 TRP 16 HB3 TRP 16 -5.112 20.934 5.133
146 HD1 TRP 16 HD1 TRP 16 -6.289 20.236 8.621
147 HE1 TRP 16 HE1 TRP 16 -5.234 22.092 10.283
148 HE3 TRP 16 HE3 TRP 16 -3.251 22.579 5.283
149 HZ2 TRP 16 HZ2 TRP 16 -3.409 24.146 10.033
150 HZ3 TRP 16 HZ3 TRP 16 -1.895 24.441 5.981
151 HH2 TRP 16 HH2 TRP 16 -1.923 25.262 8.331
152 H ARG 17 H ARG 17 -6.905 20.939 3.583
153 HA ARG 17 HA ARG 17 -7.986 23.488 4.020
154 HB2 ARG 17 HB2 ARG 17 -7.046 22.238 1.888
155 HB3 ARG 17 HB3 ARG 17 -8.776 21.943 1.590
156 HG2 ARG 17 HG2 ARG 17 -7.632 24.698 2.110
157 HG3 ARG 17 HG3 ARG 17 -7.774 24.003 0.478
158 HD2 ARG 17 HD2 ARG 17 -10.266 23.585 1.156
159 HD3 ARG 17 HD3 ARG 17 -9.949 24.812 2.404
160 HE ARG 17 HE ARG 17 -9.111 25.707 -0.202
161 HH11 ARG 17 HH11 ARG 17 -11.908 25.230 1.869
162 HH12 ARG 17 HH12 ARG 17 -12.852 26.484 1.087
163 HH21 ARG 17 HH21 ARG 17 -10.340 27.332 -1.208
164 HH22 ARG 17 HH22 ARG 17 -11.966 27.670 -0.650
165 H GLU 18 H GLU 18 -9.731 20.435 3.342
166 HA GLU 18 HA GLU 18 -12.337 21.608 3.308
167 HB2 GLU 18 HB2 GLU 18 -11.212 18.866 3.738
168 HB3 GLU 18 HB3 GLU 18 -12.930 19.177 4.087
169 HG2 GLU 18 HG2 GLU 18 -12.854 20.267 1.675
170 HG3 GLU 18 HG3 GLU 18 -11.464 19.174 1.480
171 H ARG 19 H ARG 19 -10.285 20.447 5.954
172 HA ARG 19 HA ARG 19 -12.291 20.467 7.985
173 HB2 ARG 19 HB2 ARG 19 -10.000 19.450 8.105
174 HB3 ARG 19 HB3 ARG 19 -9.350 21.098 8.279
175 HG2 ARG 19 HG2 ARG 19 -11.087 21.231 10.259
176 HG3 ARG 19 HG3 ARG 19 -10.960 19.456 10.208
177 HD2 ARG 19 HD2 ARG 19 -8.595 19.534 10.614
178 HD3 ARG 19 HD3 ARG 19 -8.555 21.299 10.388
179 HE ARG 19 HE ARG 19 -10.299 20.457 12.551
180 HH11 ARG 19 HH11 ARG 19 -6.998 21.216 11.619
181 HH12 ARG 19 HH12 ARG 19 -6.506 21.638 13.248
182 HH21 ARG 19 HH21 ARG 19 -9.656 21.010 14.657
183 HH22 ARG 19 HH22 ARG 19 -8.008 21.522 14.965
184 H GLN 20 H GLN 20 -10.261 23.038 6.623
185 HA GLN 20 HA GLN 20 -11.024 24.993 8.630
186 HB2 GLN 20 HB2 GLN 20 -9.014 24.852 6.896
187 HB3 GLN 20 HB3 GLN 20 -10.157 25.770 5.887
188 HG2 GLN 20 HG2 GLN 20 -10.230 27.574 7.425
189 HG3 GLN 20 HG3 GLN 20 -9.454 26.613 8.706
190 HE21 GLN 20 HE22 GLN 20 -7.232 25.610 7.790
191 HE22 GLN 20 HE21 GLN 20 -6.162 26.826 7.120
192 H ARG 21 H ARG 21 -12.419 23.834 5.634
193 HA ARG 21 HA ARG 21 -14.032 26.000 4.894
194 HB2 ARG 21 HB2 ARG 21 -13.719 23.544 3.962
195 HB3 ARG 21 HB3 ARG 21 -15.188 23.248 4.922
196 HG2 ARG 21 HG2 ARG 21 -16.017 25.432 3.650
197 HG3 ARG 21 HG3 ARG 21 -14.800 24.909 2.461
198 HD2 ARG 21 HD2 ARG 21 -15.949 22.575 2.689
199 HD3 ARG 21 HD3 ARG 21 -17.307 23.499 3.373
200 HE ARG 21 HE ARG 21 -16.778 24.835 1.054
201 HH11 ARG 21 HH11 ARG 21 -17.310 21.450 1.837
202 HH12 ARG 21 HH12 ARG 21 -18.020 21.077 0.279
203 HH21 ARG 21 HH21 ARG 21 -17.702 24.342 -0.962
204 HH22 ARG 21 HH22 ARG 21 -18.242 22.709 -1.302
205 H ALA 22 H ALA 22 -14.405 23.784 7.615
206 HA ALA 22 HA ALA 22 -17.107 24.437 8.229
207 HB1 ALA 22 HB1 ALA 22 -14.854 23.586 10.081
208 HB2 ALA 22 HB2 ALA 22 -16.593 23.532 10.454
209 HB3 ALA 22 HB3 ALA 22 -15.925 22.493 9.172
210 H ALA 23 H ALA 23 -14.021 25.910 9.262
211 HA ALA 23 HA ALA 23 -15.440 27.894 10.878
212 HB1 ALA 23 HB1 ALA 23 -12.511 27.669 10.100
213 HB2 ALA 23 HB2 ALA 23 -13.190 28.777 11.316
214 HB3 ALA 23 HB3 ALA 23 -13.248 27.018 11.583
215 H ALA 24 H ALA 24 -13.329 28.024 7.968
216 HA ALA 24 HA ALA 24 -13.694 30.748 7.418
217 HB1 ALA 24 HB1 ALA 24 -13.362 28.464 5.441
218 HB2 ALA 24 HB2 ALA 24 -13.062 30.187 5.112
219 HB3 ALA 24 HB3 ALA 24 -12.044 29.315 6.282
220 H ALA 25 H ALA 25 -15.696 27.972 6.382
221 HA ALA 25 HA ALA 25 -17.735 29.956 5.474
222 HB1 ALA 25 HB1 ALA 25 -17.335 27.062 4.638
223 HB2 ALA 25 HB2 ALA 25 -18.595 28.163 4.032
224 HB3 ALA 25 HB3 ALA 25 -16.882 28.494 3.684
225 H ARG 26 H ARG 26 -19.765 29.922 6.256
226 HA ARG 26 HA ARG 26 -20.209 28.272 8.662
227 HB2 ARG 26 HB2 ARG 26 -21.894 30.398 7.319
228 HB3 ARG 26 HB3 ARG 26 -22.243 29.622 8.883
229 HG2 ARG 26 HG2 ARG 26 -19.990 30.507 9.670
230 HG3 ARG 26 HG3 ARG 26 -19.963 31.490 8.186
231 HD2 ARG 26 HD2 ARG 26 -22.370 32.217 9.004
232 HD3 ARG 26 HD3 ARG 26 -21.756 31.697 10.591
233 HE ARG 26 HE ARG 26 -19.834 33.400 9.389
234 HH11 ARG 26 HH11 ARG 26 -23.076 33.492 10.738
235 HH12 ARG 26 HH12 ARG 26 -22.948 35.164 11.248
236 HH21 ARG 26 HH21 ARG 26 -19.674 35.565 10.057
237 HH22 ARG 26 HH22 ARG 26 -21.026 36.335 10.864
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 0.567 1.684 1.744
2 H2 GLY 1 H2 GLY 1 0.533 0.229 2.504
3 H3 GLY 1 H3 GLY 1 -0.074 0.446 0.878
4 HA2 GLY 1 HA2 GLY 1 2.362 -0.373 1.758
5 HA3 GLY 1 HA3 GLY 1 1.745 -0.153 0.103
6 H ALA 2 H ALA 2 4.062 0.450 -0.264
7 HA ALA 2 HA ALA 2 4.970 2.988 0.811
8 HB1 ALA 2 HB1 ALA 2 5.998 1.336 -1.524
9 HB2 ALA 2 HB2 ALA 2 6.845 2.696 -0.750
10 HB3 ALA 2 HB3 ALA 2 6.539 1.202 0.166
11 H MET 3 H MET 3 3.860 1.913 -2.435
12 HA MET 3 HA MET 3 4.004 4.449 -3.682
13 HB2 MET 3 HB2 MET 3 2.390 3.553 -5.270
14 HB3 MET 3 HB3 MET 3 3.685 2.386 -4.909
15 HG2 MET 3 HG2 MET 3 2.256 1.039 -3.600
16 HG3 MET 3 HG3 MET 3 1.019 2.314 -3.494
17 HE1 MET 3 HE1 MET 3 -0.075 3.295 -5.914
18 HE2 MET 3 HE2 MET 3 -1.066 1.989 -6.607
19 HE3 MET 3 HE3 MET 3 -1.059 2.263 -4.849
20 H ALA 4 H ALA 4 1.649 3.146 -1.429
21 HA ALA 4 HA ALA 4 -0.409 5.070 -2.002
22 HB1 ALA 4 HB1 ALA 4 0.146 3.480 0.528
23 HB2 ALA 4 HB2 ALA 4 -1.369 4.329 0.134
24 HB3 ALA 4 HB3 ALA 4 -0.847 2.939 -0.847
25 H THR 5 H THR 5 2.324 5.004 0.280
26 HA THR 5 HA THR 5 1.672 7.274 1.825
27 HB THR 5 HB THR 5 4.473 6.617 0.852
28 HG1 THR 5 HG1 THR 5 4.526 5.157 2.647
29 HG21 THR 5 HG21 THR 5 3.386 7.737 3.467
30 HG22 THR 5 HG22 THR 5 5.100 7.434 3.099
31 HG23 THR 5 HG23 THR 5 4.202 8.675 2.194
32 H ARG 6 H ARG 6 2.880 7.094 -1.477
33 HA ARG 6 HA ARG 6 3.633 9.869 -1.661
34 HB2 ARG 6 HB2 ARG 6 4.081 7.753 -3.193
35 HB3 ARG 6 HB3 ARG 6 2.614 8.340 -4.012
36 HG2 ARG 6 HG2 ARG 6 4.208 9.461 -5.224
37 HG3 ARG 6 HG3 ARG 6 3.908 10.650 -3.934
38 HD2 ARG 6 HD2 ARG 6 6.259 10.516 -4.057
39 HD3 ARG 6 HD3 ARG 6 5.832 9.484 -2.671
40 HE ARG 6 HE ARG 6 5.991 7.990 -5.138
41 HH11 ARG 6 HH11 ARG 6 7.869 9.427 -2.539
42 HH12 ARG 6 HH12 ARG 6 9.210 8.314 -2.729
43 HH21 ARG 6 HH21 ARG 6 7.731 6.552 -5.377
44 HH22 ARG 6 HH22 ARG 6 9.132 6.690 -4.333
45 H GLN 7 H GLN 7 0.757 8.169 -3.003
46 HA GLN 7 HA GLN 7 -0.613 10.565 -3.711
47 HB2 GLN 7 HB2 GLN 7 -1.026 8.088 -4.358
48 HB3 GLN 7 HB3 GLN 7 -1.996 8.035 -2.867
49 HG2 GLN 7 HG2 GLN 7 -3.604 8.544 -4.466
50 HG3 GLN 7 HG3 GLN 7 -3.158 10.157 -3.860
51 HE21 GLN 7 HE22 GLN 7 -4.397 10.098 -6.235
52 HE22 GLN 7 HE21 GLN 7 -3.271 10.399 -7.544
53 H ALA 8 H ALA 8 -0.293 8.881 -0.650
54 HA ALA 8 HA ALA 8 -2.536 9.953 0.685
55 HB1 ALA 8 HB1 ALA 8 0.217 9.320 1.802
56 HB2 ALA 8 HB2 ALA 8 -1.280 9.509 2.747
57 HB3 ALA 8 HB3 ALA 8 -1.117 8.160 1.598
58 H ARG 9 H ARG 9 0.586 11.409 -0.090
59 HA ARG 9 HA ARG 9 0.503 13.619 1.672
60 HB2 ARG 9 HB2 ARG 9 1.510 13.552 -1.179
61 HB3 ARG 9 HB3 ARG 9 1.961 14.720 0.086
62 HG2 ARG 9 HG2 ARG 9 2.413 11.782 0.530
63 HG3 ARG 9 HG3 ARG 9 3.547 12.703 -0.487
64 HD2 ARG 9 HD2 ARG 9 3.857 14.318 1.385
65 HD3 ARG 9 HD3 ARG 9 2.802 13.305 2.399
66 HE ARG 9 HE ARG 9 5.060 11.872 1.252
67 HH11 ARG 9 HH11 ARG 9 3.922 13.878 3.903
68 HH12 ARG 9 HH12 ARG 9 5.138 13.299 5.024
69 HH21 ARG 9 HH21 ARG 9 6.633 11.127 2.711
70 HH22 ARG 9 HH22 ARG 9 6.670 11.745 4.351
71 H ARG 10 H ARG 10 -0.496 13.625 -1.786
72 HA ARG 10 HA ARG 10 -1.809 16.169 -1.575
73 HB2 ARG 10 HB2 ARG 10 -2.770 15.603 -3.739
74 HB3 ARG 10 HB3 ARG 10 -1.020 15.289 -3.685
75 HG2 ARG 10 HG2 ARG 10 -1.485 12.884 -3.330
76 HG3 ARG 10 HG3 ARG 10 -3.229 13.220 -3.452
77 HD2 ARG 10 HD2 ARG 10 -1.132 13.600 -5.618
78 HD3 ARG 10 HD3 ARG 10 -2.437 12.390 -5.590
79 HE ARG 10 HE ARG 10 -2.627 15.141 -6.438
80 HH11 ARG 10 HH11 ARG 10 -4.384 12.497 -4.934
81 HH12 ARG 10 HH12 ARG 10 -5.953 13.086 -5.449
82 HH21 ARG 10 HH21 ARG 10 -4.662 15.897 -7.103
83 HH22 ARG 10 HH22 ARG 10 -6.110 15.007 -6.674
84 H ASN 11 H ASN 11 -2.903 12.836 -1.100
85 HA ASN 11 HA ASN 11 -5.712 13.413 -1.080
86 HB2 ASN 11 HB2 ASN 11 -3.944 11.200 -0.084
87 HB3 ASN 11 HB3 ASN 11 -5.631 11.278 0.478
88 HD21 ASN 11 HD22 ASN 11 -4.038 9.427 -1.381
89 HD22 ASN 11 HD21 ASN 11 -5.044 9.316 -2.813
90 H ARG 12 H ARG 12 -3.175 13.849 1.301
91 HA ARG 12 HA ARG 12 -5.046 14.179 3.527
92 HB2 ARG 12 HB2 ARG 12 -2.834 13.339 3.952
93 HB3 ARG 12 HB3 ARG 12 -2.101 14.759 3.168
94 HG2 ARG 12 HG2 ARG 12 -3.919 15.484 5.341
95 HG3 ARG 12 HG3 ARG 12 -2.589 14.436 5.889
96 HD2 ARG 12 HD2 ARG 12 -1.009 16.031 5.532
97 HD3 ARG 12 HD3 ARG 12 -1.803 16.631 4.057
98 HE ARG 12 HE ARG 12 -3.381 17.356 6.299
99 HH11 ARG 12 HH11 ARG 12 -0.270 18.055 4.825
100 HH12 ARG 12 HH12 ARG 12 -0.209 19.695 5.440
101 HH21 ARG 12 HH21 ARG 12 -3.298 19.482 7.092
102 HH22 ARG 12 HH22 ARG 12 -1.921 20.502 6.722
103 H ARG 13 H ARG 13 -2.835 16.412 1.772
104 HA ARG 13 HA ARG 13 -3.885 18.774 2.981
105 HB2 ARG 13 HB2 ARG 13 -2.811 19.942 1.126
106 HB3 ARG 13 HB3 ARG 13 -1.742 18.734 1.876
107 HG2 ARG 13 HG2 ARG 13 -2.622 17.176 -0.036
108 HG3 ARG 13 HG3 ARG 13 -3.059 18.708 -0.829
109 HD2 ARG 13 HD2 ARG 13 -0.827 17.938 -1.538
110 HD3 ARG 13 HD3 ARG 13 -0.732 19.479 -0.651
111 HE ARG 13 HE ARG 13 -0.372 17.256 1.125
112 HH11 ARG 13 HH11 ARG 13 1.228 19.138 -1.373
113 HH12 ARG 13 HH12 ARG 13 2.837 18.814 -0.757
114 HH21 ARG 13 HH21 ARG 13 1.716 16.843 1.919
115 HH22 ARG 13 HH22 ARG 13 3.112 17.517 1.103
116 H ARG 14 H ARG 14 -5.035 16.794 0.327
117 HA ARG 14 HA ARG 14 -6.713 18.723 -0.938
118 HB2 ARG 14 HB2 ARG 14 -6.172 16.606 -1.964
119 HB3 ARG 14 HB3 ARG 14 -6.966 15.725 -0.637
120 HG2 ARG 14 HG2 ARG 14 -9.131 16.690 -1.288
121 HG3 ARG 14 HG3 ARG 14 -8.339 17.580 -2.610
122 HD2 ARG 14 HD2 ARG 14 -7.802 15.563 -3.771
123 HD3 ARG 14 HD3 ARG 14 -8.226 14.560 -2.363
124 HE ARG 14 HE ARG 14 -10.444 14.648 -2.991
125 HH11 ARG 14 HH11 ARG 14 -8.620 17.114 -4.703
126 HH12 ARG 14 HH12 ARG 14 -9.951 17.537 -5.761
127 HH21 ARG 14 HH21 ARG 14 -12.165 15.201 -4.366
128 HH22 ARG 14 HH22 ARG 14 -11.955 16.456 -5.571
129 H ARG 15 H ARG 15 -7.694 16.137 1.363
130 HA ARG 15 HA ARG 15 -10.302 17.228 1.784
131 HB2 ARG 15 HB2 ARG 15 -8.563 15.398 3.445
132 HB3 ARG 15 HB3 ARG 15 -10.252 15.797 3.841
133 HG2 ARG 15 HG2 ARG 15 -10.678 14.979 1.363
134 HG3 ARG 15 HG3 ARG 15 -9.146 14.110 1.620
135 HD2 ARG 15 HD2 ARG 15 -11.657 13.901 3.322
136 HD3 ARG 15 HD3 ARG 15 -11.033 12.668 2.201
137 HE ARG 15 HE ARG 15 -8.996 13.249 4.066
138 HH11 ARG 15 HH11 ARG 15 -12.216 11.849 3.964
139 HH12 ARG 15 HH12 ARG 15 -11.930 10.786 5.329
140 HH21 ARG 15 HH21 ARG 15 -8.631 11.870 5.831
141 HH22 ARG 15 HH22 ARG 15 -9.904 10.798 6.384
142 H TRP 16 H TRP 16 -7.179 17.977 3.191
143 HA TRP 16 HA TRP 16 -7.971 19.201 5.597
144 HB2 TRP 16 HB2 TRP 16 -5.591 18.804 4.733
145 HB3 TRP 16 HB3 TRP 16 -5.798 20.281 3.762
146 HD1 TRP 16 HD1 TRP 16 -6.874 19.694 7.322
147 HE1 TRP 16 HE1 TRP 16 -5.670 21.532 8.898
148 HE3 TRP 16 HE3 TRP 16 -3.978 21.919 3.784
149 HZ2 TRP 16 HZ2 TRP 16 -3.802 23.528 8.520
150 HZ3 TRP 16 HZ3 TRP 16 -2.523 23.742 4.384
151 HH2 TRP 16 HH2 TRP 16 -2.391 24.586 6.723
152 H ARG 17 H ARG 17 -7.782 20.648 2.323
153 HA ARG 17 HA ARG 17 -8.568 23.266 3.087
154 HB2 ARG 17 HB2 ARG 17 -7.720 22.221 0.823
155 HB3 ARG 17 HB3 ARG 17 -9.462 22.054 0.502
156 HG2 ARG 17 HG2 ARG 17 -8.352 24.692 1.421
157 HG3 ARG 17 HG3 ARG 17 -8.170 24.204 -0.281
158 HD2 ARG 17 HD2 ARG 17 -10.659 23.812 -0.348
159 HD3 ARG 17 HD3 ARG 17 -10.757 24.527 1.278
160 HE ARG 17 HE ARG 17 -9.388 26.283 -0.531
161 HH11 ARG 17 HH11 ARG 17 -12.569 25.074 0.343
162 HH12 ARG 17 HH12 ARG 17 -13.403 26.513 -0.212
163 HH21 ARG 17 HH21 ARG 17 -10.476 28.143 -1.250
164 HH22 ARG 17 HH22 ARG 17 -12.221 28.246 -1.112
165 H GLU 18 H GLU 18 -10.606 20.591 1.804
166 HA GLU 18 HA GLU 18 -13.079 21.931 2.028
167 HB2 GLU 18 HB2 GLU 18 -12.357 19.012 2.324
168 HB3 GLU 18 HB3 GLU 18 -14.027 19.622 2.255
169 HG2 GLU 18 HG2 GLU 18 -11.904 19.760 0.102
170 HG3 GLU 18 HG3 GLU 18 -13.424 18.834 0.073
171 H ARG 19 H ARG 19 -11.239 20.119 4.480
172 HA ARG 19 HA ARG 19 -13.316 20.270 6.484
173 HB2 ARG 19 HB2 ARG 19 -11.477 18.616 6.468
174 HB3 ARG 19 HB3 ARG 19 -10.325 19.934 6.786
175 HG2 ARG 19 HG2 ARG 19 -10.738 18.901 8.886
176 HG3 ARG 19 HG3 ARG 19 -11.654 20.427 8.890
177 HD2 ARG 19 HD2 ARG 19 -12.953 18.502 9.808
178 HD3 ARG 19 HD3 ARG 19 -13.715 19.247 8.382
179 HE ARG 19 HE ARG 19 -13.470 17.260 7.249
180 HH11 ARG 19 HH11 ARG 19 -11.333 17.294 10.037
181 HH12 ARG 19 HH12 ARG 19 -10.844 15.622 9.835
182 HH21 ARG 19 HH21 ARG 19 -12.834 15.093 6.996
183 HH22 ARG 19 HH22 ARG 19 -11.692 14.380 8.118
184 H GLN 20 H GLN 20 -10.747 22.432 5.435
185 HA GLN 20 HA GLN 20 -10.584 24.085 7.732
186 HB2 GLN 20 HB2 GLN 20 -9.334 24.019 5.374
187 HB3 GLN 20 HB3 GLN 20 -10.504 25.313 5.023
188 HG2 GLN 20 HG2 GLN 20 -9.626 26.726 6.677
189 HG3 GLN 20 HG3 GLN 20 -8.807 25.388 7.517
190 HE21 GLN 20 HE22 GLN 20 -7.103 24.230 6.124
191 HE22 GLN 20 HE21 GLN 20 -6.035 25.274 5.207
192 H ARG 21 H ARG 21 -13.080 23.807 5.291
193 HA ARG 21 HA ARG 21 -14.350 26.294 5.506
194 HB2 ARG 21 HB2 ARG 21 -14.879 24.084 4.161
195 HB3 ARG 21 HB3 ARG 21 -15.980 23.791 5.528
196 HG2 ARG 21 HG2 ARG 21 -16.068 26.470 4.206
197 HG3 ARG 21 HG3 ARG 21 -16.753 25.087 3.319
198 HD2 ARG 21 HD2 ARG 21 -17.976 24.580 5.577
199 HD3 ARG 21 HD3 ARG 21 -17.611 26.281 5.952
200 HE ARG 21 HE ARG 21 -19.273 26.921 4.499
201 HH11 ARG 21 HH11 ARG 21 -18.308 23.619 3.785
202 HH12 ARG 21 HH12 ARG 21 -19.571 23.379 2.594
203 HH21 ARG 21 HH21 ARG 21 -20.910 26.600 2.959
204 HH22 ARG 21 HH22 ARG 21 -21.041 25.063 2.127
205 H ALA 22 H ALA 22 -14.291 23.626 7.816
206 HA ALA 22 HA ALA 22 -16.447 24.542 9.441
207 HB1 ALA 22 HB1 ALA 22 -13.975 22.951 10.215
208 HB2 ALA 22 HB2 ALA 22 -15.471 23.092 11.169
209 HB3 ALA 22 HB3 ALA 22 -15.497 22.273 9.589
210 H ALA 23 H ALA 23 -12.954 25.267 9.487
211 HA ALA 23 HA ALA 23 -13.279 27.015 11.813
212 HB1 ALA 23 HB1 ALA 23 -10.907 26.553 9.970
213 HB2 ALA 23 HB2 ALA 23 -10.878 27.442 11.512
214 HB3 ALA 23 HB3 ALA 23 -11.223 25.696 11.497
215 H ALA 24 H ALA 24 -12.321 27.489 8.378
216 HA ALA 24 HA ALA 24 -12.279 30.306 8.475
217 HB1 ALA 24 HB1 ALA 24 -13.004 28.499 6.143
218 HB2 ALA 24 HB2 ALA 24 -12.505 30.203 6.032
219 HB3 ALA 24 HB3 ALA 24 -11.357 28.977 6.618
220 H ALA 25 H ALA 25 -14.988 28.073 7.858
221 HA ALA 25 HA ALA 25 -16.801 30.445 8.003
222 HB1 ALA 25 HB1 ALA 25 -17.226 27.784 6.601
223 HB2 ALA 25 HB2 ALA 25 -18.386 29.132 6.664
224 HB3 ALA 25 HB3 ALA 25 -16.839 29.329 5.808
225 H ARG 26 H ARG 26 -18.205 30.569 9.611
226 HA ARG 26 HA ARG 26 -18.460 28.199 11.403
227 HB2 ARG 26 HB2 ARG 26 -18.773 31.166 11.721
228 HB3 ARG 26 HB3 ARG 26 -19.591 30.050 12.841
229 HG2 ARG 26 HG2 ARG 26 -17.561 29.206 13.671
230 HG3 ARG 26 HG3 ARG 26 -16.632 29.837 12.291
231 HD2 ARG 26 HD2 ARG 26 -17.964 31.501 14.459
232 HD3 ARG 26 HD3 ARG 26 -16.221 31.167 14.324
233 HE ARG 26 HE ARG 26 -17.053 32.322 11.895
234 HH11 ARG 26 HH11 ARG 26 -16.786 33.168 15.295
235 HH12 ARG 26 HH12 ARG 26 -16.522 34.871 14.975
236 HH21 ARG 26 HH21 ARG 26 -16.709 34.531 11.489
237 HH22 ARG 26 HH22 ARG 26 -16.478 35.641 12.826
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 5.324 -0.499 -0.996
2 H2 GLY 1 H2 GLY 1 4.388 -1.510 -1.889
3 H3 GLY 1 H3 GLY 1 4.446 -1.592 -0.142
4 HA2 GLY 1 HA2 GLY 1 2.720 -0.295 -1.792
5 HA3 GLY 1 HA3 GLY 1 2.779 -0.378 -0.015
6 H ALA 2 H ALA 2 5.172 0.987 -2.299
7 HA ALA 2 HA ALA 2 5.349 3.414 -0.728
8 HB1 ALA 2 HB1 ALA 2 6.490 2.733 -3.461
9 HB2 ALA 2 HB2 ALA 2 6.959 4.116 -2.444
10 HB3 ALA 2 HB3 ALA 2 7.294 2.456 -1.897
11 H MET 3 H MET 3 3.704 2.460 -3.711
12 HA MET 3 HA MET 3 3.044 5.069 -4.641
13 HB2 MET 3 HB2 MET 3 2.753 2.654 -5.660
14 HB3 MET 3 HB3 MET 3 1.143 2.779 -4.911
15 HG2 MET 3 HG2 MET 3 0.676 4.804 -6.173
16 HG3 MET 3 HG3 MET 3 2.315 4.779 -6.866
17 HE1 MET 3 HE1 MET 3 2.644 1.596 -7.337
18 HE2 MET 3 HE2 MET 3 2.155 1.477 -9.045
19 HE3 MET 3 HE3 MET 3 3.180 2.828 -8.504
20 H ALA 4 H ALA 4 1.334 2.883 -2.384
21 HA ALA 4 HA ALA 4 -0.990 4.397 -2.040
22 HB1 ALA 4 HB1 ALA 4 0.537 2.824 0.064
23 HB2 ALA 4 HB2 ALA 4 -1.172 3.312 0.157
24 HB3 ALA 4 HB3 ALA 4 -0.643 2.153 -1.086
25 H THR 5 H THR 5 2.021 4.620 -0.084
26 HA THR 5 HA THR 5 1.190 6.800 1.532
27 HB THR 5 HB THR 5 3.576 7.212 1.910
28 HG1 THR 5 HG1 THR 5 5.112 6.004 0.668
29 HG21 THR 5 HG21 THR 5 2.979 4.237 1.647
30 HG22 THR 5 HG22 THR 5 4.266 4.956 2.644
31 HG23 THR 5 HG23 THR 5 2.558 5.263 3.039
32 H ARG 6 H ARG 6 2.697 6.799 -1.695
33 HA ARG 6 HA ARG 6 3.228 9.540 -1.932
34 HB2 ARG 6 HB2 ARG 6 3.492 7.459 -3.556
35 HB3 ARG 6 HB3 ARG 6 1.968 8.097 -4.218
36 HG2 ARG 6 HG2 ARG 6 3.544 9.165 -5.542
37 HG3 ARG 6 HG3 ARG 6 3.247 10.372 -4.268
38 HD2 ARG 6 HD2 ARG 6 5.462 8.338 -3.995
39 HD3 ARG 6 HD3 ARG 6 5.706 9.831 -4.931
40 HE ARG 6 HE ARG 6 4.719 10.765 -2.569
41 HH11 ARG 6 HH11 ARG 6 7.310 8.541 -3.397
42 HH12 ARG 6 HH12 ARG 6 8.278 8.955 -1.996
43 HH21 ARG 6 HH21 ARG 6 5.979 11.297 -0.756
44 HH22 ARG 6 HH22 ARG 6 7.526 10.512 -0.504
45 H GLN 7 H GLN 7 0.205 7.906 -3.003
46 HA GLN 7 HA GLN 7 -1.186 10.341 -3.526
47 HB2 GLN 7 HB2 GLN 7 -1.665 7.789 -4.078
48 HB3 GLN 7 HB3 GLN 7 -2.640 7.911 -2.595
49 HG2 GLN 7 HG2 GLN 7 -4.186 8.409 -4.274
50 HG3 GLN 7 HG3 GLN 7 -3.665 10.017 -3.718
51 HE21 GLN 7 HE22 GLN 7 -4.864 9.866 -6.135
52 HE22 GLN 7 HE21 GLN 7 -3.693 10.082 -7.421
53 H ALA 8 H ALA 8 -0.594 8.575 -0.554
54 HA ALA 8 HA ALA 8 -2.694 9.744 0.985
55 HB1 ALA 8 HB1 ALA 8 0.036 8.741 1.869
56 HB2 ALA 8 HB2 ALA 8 -1.365 9.035 2.926
57 HB3 ALA 8 HB3 ALA 8 -1.433 7.751 1.695
58 H ARG 9 H ARG 9 0.555 10.867 0.133
59 HA ARG 9 HA ARG 9 0.625 13.047 2.007
60 HB2 ARG 9 HB2 ARG 9 2.467 11.914 0.504
61 HB3 ARG 9 HB3 ARG 9 1.966 13.160 -0.663
62 HG2 ARG 9 HG2 ARG 9 3.761 14.152 0.470
63 HG3 ARG 9 HG3 ARG 9 2.322 14.833 1.265
64 HD2 ARG 9 HD2 ARG 9 3.743 14.237 3.053
65 HD3 ARG 9 HD3 ARG 9 2.572 12.900 2.956
66 HE ARG 9 HE ARG 9 4.893 12.332 1.371
67 HH11 ARG 9 HH11 ARG 9 3.736 12.503 4.684
68 HH12 ARG 9 HH12 ARG 9 4.881 11.315 5.274
69 HH21 ARG 9 HH21 ARG 9 6.374 10.793 2.143
70 HH22 ARG 9 HH22 ARG 9 6.372 10.348 3.839
71 H ARG 10 H ARG 10 -0.767 12.657 -1.216
72 HA ARG 10 HA ARG 10 -1.238 15.496 -1.607
73 HB2 ARG 10 HB2 ARG 10 -1.034 13.835 -3.434
74 HB3 ARG 10 HB3 ARG 10 -2.554 13.091 -2.884
75 HG2 ARG 10 HG2 ARG 10 -3.751 15.185 -3.341
76 HG3 ARG 10 HG3 ARG 10 -2.232 15.941 -3.876
77 HD2 ARG 10 HD2 ARG 10 -2.076 14.064 -5.606
78 HD3 ARG 10 HD3 ARG 10 -3.760 13.673 -5.184
79 HE ARG 10 HE ARG 10 -4.469 15.522 -6.366
80 HH11 ARG 10 HH11 ARG 10 -1.011 15.728 -5.785
81 HH12 ARG 10 HH12 ARG 10 -0.795 17.119 -6.829
82 HH21 ARG 10 HH21 ARG 10 -4.182 17.322 -7.720
83 HH22 ARG 10 HH22 ARG 10 -2.587 18.020 -7.923
84 H ASN 11 H ASN 11 -3.375 12.735 -0.754
85 HA ASN 11 HA ASN 11 -5.727 14.270 -0.383
86 HB2 ASN 11 HB2 ASN 11 -4.841 11.742 1.052
87 HB3 ASN 11 HB3 ASN 11 -6.502 12.378 0.985
88 HD21 ASN 11 HD22 ASN 11 -5.266 9.801 0.039
89 HD22 ASN 11 HD21 ASN 11 -5.714 9.689 -1.651
90 H ARG 12 H ARG 12 -2.908 13.878 1.664
91 HA ARG 12 HA ARG 12 -3.981 14.603 4.164
92 HB2 ARG 12 HB2 ARG 12 -1.569 13.938 3.373
93 HB3 ARG 12 HB3 ARG 12 -1.356 15.698 3.227
94 HG2 ARG 12 HG2 ARG 12 -0.587 15.273 5.383
95 HG3 ARG 12 HG3 ARG 12 -2.272 15.776 5.655
96 HD2 ARG 12 HD2 ARG 12 -2.942 13.383 5.733
97 HD3 ARG 12 HD3 ARG 12 -1.234 12.920 5.546
98 HE ARG 12 HE ARG 12 -0.869 13.419 7.774
99 HH11 ARG 12 HH11 ARG 12 -3.953 14.742 6.731
100 HH12 ARG 12 HH12 ARG 12 -4.450 15.182 8.353
101 HH21 ARG 12 HH21 ARG 12 -1.521 13.993 9.871
102 HH22 ARG 12 HH22 ARG 12 -3.077 14.759 10.127
103 H ARG 13 H ARG 13 -2.349 16.859 1.885
104 HA ARG 13 HA ARG 13 -3.224 19.205 3.247
105 HB2 ARG 13 HB2 ARG 13 -2.215 18.590 0.488
106 HB3 ARG 13 HB3 ARG 13 -2.832 20.212 0.881
107 HG2 ARG 13 HG2 ARG 13 -0.473 20.298 1.184
108 HG3 ARG 13 HG3 ARG 13 -1.196 20.247 2.809
109 HD2 ARG 13 HD2 ARG 13 -0.552 18.020 3.164
110 HD3 ARG 13 HD3 ARG 13 -0.337 17.706 1.426
111 HE ARG 13 HE ARG 13 1.832 18.455 1.589
112 HH11 ARG 13 HH11 ARG 13 -0.006 19.571 4.367
113 HH12 ARG 13 HH12 ARG 13 1.398 20.227 5.186
114 HH21 ARG 13 HH21 ARG 13 3.647 19.305 2.658
115 HH22 ARG 13 HH22 ARG 13 3.462 20.077 4.221
116 H ARG 14 H ARG 14 -4.730 17.252 0.701
117 HA ARG 14 HA ARG 14 -6.766 19.092 -0.044
118 HB2 ARG 14 HB2 ARG 14 -6.097 16.890 -1.129
119 HB3 ARG 14 HB3 ARG 14 -7.070 16.096 0.131
120 HG2 ARG 14 HG2 ARG 14 -9.054 17.356 -0.622
121 HG3 ARG 14 HG3 ARG 14 -8.075 18.114 -1.901
122 HD2 ARG 14 HD2 ARG 14 -7.863 16.117 -3.102
123 HD3 ARG 14 HD3 ARG 14 -8.238 15.111 -1.683
124 HE ARG 14 HE ARG 14 -10.549 16.547 -2.126
125 HH11 ARG 14 HH11 ARG 14 -8.503 14.434 -4.048
126 HH12 ARG 14 HH12 ARG 14 -9.826 13.852 -5.039
127 HH21 ARG 14 HH21 ARG 14 -12.259 15.789 -3.415
128 HH22 ARG 14 HH22 ARG 14 -11.948 14.617 -4.682
129 H ARG 15 H ARG 15 -6.983 16.358 2.287
130 HA ARG 15 HA ARG 15 -9.577 16.967 3.221
131 HB2 ARG 15 HB2 ARG 15 -7.941 14.960 3.650
132 HB3 ARG 15 HB3 ARG 15 -7.457 15.929 5.062
133 HG2 ARG 15 HG2 ARG 15 -9.113 14.650 6.010
134 HG3 ARG 15 HG3 ARG 15 -10.070 16.046 5.459
135 HD2 ARG 15 HD2 ARG 15 -9.670 13.643 3.675
136 HD3 ARG 15 HD3 ARG 15 -10.930 13.642 4.931
137 HE ARG 15 HE ARG 15 -10.961 15.072 2.412
138 HH11 ARG 15 HH11 ARG 15 -12.108 15.062 5.733
139 HH12 ARG 15 HH12 ARG 15 -13.530 16.021 5.373
140 HH21 ARG 15 HH21 ARG 15 -12.805 16.316 1.954
141 HH22 ARG 15 HH22 ARG 15 -13.924 16.730 3.238
142 H TRP 16 H TRP 16 -6.412 18.211 4.281
143 HA TRP 16 HA TRP 16 -7.341 19.629 6.566
144 HB2 TRP 16 HB2 TRP 16 -4.957 19.814 4.737
145 HB3 TRP 16 HB3 TRP 16 -5.273 21.153 5.867
146 HD1 TRP 16 HD1 TRP 16 -3.306 18.350 5.640
147 HE1 TRP 16 HE1 TRP 16 -2.633 17.313 8.047
148 HE3 TRP 16 HE3 TRP 16 -6.841 20.672 8.462
149 HZ2 TRP 16 HZ2 TRP 16 -3.572 17.563 10.628
150 HZ3 TRP 16 HZ3 TRP 16 -6.946 20.277 10.834
151 HH2 TRP 16 HH2 TRP 16 -5.346 18.745 11.970
152 H ARG 17 H ARG 17 -7.520 20.378 3.132
153 HA ARG 17 HA ARG 17 -8.239 23.175 3.585
154 HB2 ARG 17 HB2 ARG 17 -7.493 21.508 1.405
155 HB3 ARG 17 HB3 ARG 17 -9.099 22.186 1.048
156 HG2 ARG 17 HG2 ARG 17 -6.656 23.802 1.844
157 HG3 ARG 17 HG3 ARG 17 -7.231 23.579 0.174
158 HD2 ARG 17 HD2 ARG 17 -9.459 24.545 0.959
159 HD3 ARG 17 HD3 ARG 17 -8.620 25.011 2.458
160 HE ARG 17 HE ARG 17 -8.383 26.257 -0.164
161 HH11 ARG 17 HH11 ARG 17 -6.885 25.731 2.970
162 HH12 ARG 17 HH12 ARG 17 -5.898 27.177 2.877
163 HH21 ARG 17 HH21 ARG 17 -7.098 28.127 -0.278
164 HH22 ARG 17 HH22 ARG 17 -6.018 28.530 1.042
165 H GLU 18 H GLU 18 -10.032 20.287 2.406
166 HA GLU 18 HA GLU 18 -12.579 21.522 2.354
167 HB2 GLU 18 HB2 GLU 18 -11.563 18.721 2.589
168 HB3 GLU 18 HB3 GLU 18 -13.288 19.041 2.886
169 HG2 GLU 18 HG2 GLU 18 -11.999 20.133 0.414
170 HG3 GLU 18 HG3 GLU 18 -12.400 18.400 0.481
171 H ARG 19 H ARG 19 -10.692 20.289 5.044
172 HA ARG 19 HA ARG 19 -12.936 20.223 6.899
173 HB2 ARG 19 HB2 ARG 19 -9.958 19.973 7.054
174 HB3 ARG 19 HB3 ARG 19 -10.884 20.307 8.537
175 HG2 ARG 19 HG2 ARG 19 -12.193 18.283 8.220
176 HG3 ARG 19 HG3 ARG 19 -11.382 17.969 6.668
177 HD2 ARG 19 HD2 ARG 19 -9.238 17.691 7.819
178 HD3 ARG 19 HD3 ARG 19 -10.007 18.073 9.378
179 HE ARG 19 HE ARG 19 -10.003 15.533 8.012
180 HH11 ARG 19 HH11 ARG 19 -11.879 17.629 10.118
181 HH12 ARG 19 HH12 ARG 19 -12.759 16.304 10.854
182 HH21 ARG 19 HH21 ARG 19 -11.151 13.822 8.969
183 HH22 ARG 19 HH22 ARG 19 -12.348 14.153 10.205
184 H GLN 20 H GLN 20 -10.381 22.558 6.061
185 HA GLN 20 HA GLN 20 -10.851 24.404 8.159
186 HB2 GLN 20 HB2 GLN 20 -9.086 24.259 6.177
187 HB3 GLN 20 HB3 GLN 20 -10.236 25.382 5.412
188 HG2 GLN 20 HG2 GLN 20 -8.601 26.739 6.485
189 HG3 GLN 20 HG3 GLN 20 -10.055 26.803 7.508
190 HE21 GLN 20 HE22 GLN 20 -7.050 24.869 7.104
191 HE22 GLN 20 HE21 GLN 20 -6.732 24.702 8.820
192 H ARG 21 H ARG 21 -12.707 23.711 5.272
193 HA ARG 21 HA ARG 21 -14.152 26.089 4.952
194 HB2 ARG 21 HB2 ARG 21 -14.217 23.718 3.768
195 HB3 ARG 21 HB3 ARG 21 -15.598 23.482 4.865
196 HG2 ARG 21 HG2 ARG 21 -15.478 25.996 3.248
197 HG3 ARG 21 HG3 ARG 21 -15.901 24.482 2.416
198 HD2 ARG 21 HD2 ARG 21 -17.593 24.158 4.370
199 HD3 ARG 21 HD3 ARG 21 -17.359 25.901 4.647
200 HE ARG 21 HE ARG 21 -18.591 26.355 2.745
201 HH11 ARG 21 HH11 ARG 21 -17.693 22.959 2.819
202 HH12 ARG 21 HH12 ARG 21 -18.719 22.533 1.462
203 HH21 ARG 21 HH21 ARG 21 -19.917 25.794 0.988
204 HH22 ARG 21 HH22 ARG 21 -19.975 24.134 0.428
205 H ALA 22 H ALA 22 -14.430 23.646 7.482
206 HA ALA 22 HA ALA 22 -16.958 24.514 8.493
207 HB1 ALA 22 HB1 ALA 22 -14.642 23.171 9.932
208 HB2 ALA 22 HB2 ALA 22 -16.319 23.277 10.517
209 HB3 ALA 22 HB3 ALA 22 -15.946 22.339 9.052
210 H ALA 23 H ALA 23 -13.614 25.522 9.191
211 HA ALA 23 HA ALA 23 -14.537 27.401 11.242
212 HB1 ALA 23 HB1 ALA 23 -11.800 26.993 9.986
213 HB2 ALA 23 HB2 ALA 23 -12.159 27.993 11.413
214 HB3 ALA 23 HB3 ALA 23 -12.384 26.229 11.484
215 H ALA 24 H ALA 24 -12.879 27.701 8.063
216 HA ALA 24 HA ALA 24 -13.040 30.510 7.913
217 HB1 ALA 24 HB1 ALA 24 -13.125 28.481 5.652
218 HB2 ALA 24 HB2 ALA 24 -12.723 30.208 5.495
219 HB3 ALA 24 HB3 ALA 24 -11.654 29.125 6.419
220 H ALA 25 H ALA 25 -15.384 28.030 6.859
221 HA ALA 25 HA ALA 25 -17.335 30.250 6.429
222 HB1 ALA 25 HB1 ALA 25 -17.279 27.463 5.221
223 HB2 ALA 25 HB2 ALA 25 -18.504 28.715 4.909
224 HB3 ALA 25 HB3 ALA 25 -16.821 28.968 4.390
225 H ARG 26 H ARG 26 -19.214 30.294 7.506
226 HA ARG 26 HA ARG 26 -19.511 28.455 9.763
227 HB2 ARG 26 HB2 ARG 26 -21.429 30.571 8.783
228 HB3 ARG 26 HB3 ARG 26 -21.330 29.846 10.405
229 HG2 ARG 26 HG2 ARG 26 -19.132 30.898 10.742
230 HG3 ARG 26 HG3 ARG 26 -19.230 31.623 9.120
231 HD2 ARG 26 HD2 ARG 26 -21.367 32.112 11.203
232 HD3 ARG 26 HD3 ARG 26 -19.881 33.090 11.152
233 HE ARG 26 HE ARG 26 -20.823 33.193 8.571
234 HH11 ARG 26 HH11 ARG 26 -22.183 33.874 11.738
235 HH12 ARG 26 HH12 ARG 26 -23.264 35.117 11.140
236 HH21 ARG 26 HH21 ARG 26 -22.228 34.804 7.805
237 HH22 ARG 26 HH22 ARG 26 -23.290 35.642 8.920
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 2.623 0.566 0.900
2 H2 GLY 1 H2 GLY 1 3.188 -0.974 0.827
3 H3 GLY 1 H3 GLY 1 1.962 -0.378 -0.270
4 HA2 GLY 1 HA2 GLY 1 4.660 -0.528 -0.551
5 HA3 GLY 1 HA3 GLY 1 3.413 0.078 -1.667
6 H ALA 2 H ALA 2 6.052 1.155 -1.412
7 HA ALA 2 HA ALA 2 5.926 3.551 0.210
8 HB1 ALA 2 HB1 ALA 2 7.777 2.802 -2.081
9 HB2 ALA 2 HB2 ALA 2 8.020 4.139 -0.932
10 HB3 ALA 2 HB3 ALA 2 8.058 2.455 -0.358
11 H MET 3 H MET 3 5.117 2.727 -3.124
12 HA MET 3 HA MET 3 4.932 5.438 -4.078
13 HB2 MET 3 HB2 MET 3 3.452 2.979 -5.028
14 HB3 MET 3 HB3 MET 3 3.721 4.489 -5.931
15 HG2 MET 3 HG2 MET 3 5.948 2.676 -4.968
16 HG3 MET 3 HG3 MET 3 5.206 2.552 -6.581
17 HE1 MET 3 HE1 MET 3 8.380 3.087 -5.783
18 HE2 MET 3 HE2 MET 3 8.855 4.802 -5.781
19 HE3 MET 3 HE3 MET 3 7.899 4.142 -4.433
20 H ALA 4 H ALA 4 2.690 3.280 -2.393
21 HA ALA 4 HA ALA 4 0.362 4.891 -2.844
22 HB1 ALA 4 HB1 ALA 4 0.990 2.945 -0.596
23 HB2 ALA 4 HB2 ALA 4 -0.621 3.572 -1.020
24 HB3 ALA 4 HB3 ALA 4 0.256 2.527 -2.162
25 H THR 5 H THR 5 3.044 5.139 -0.620
26 HA THR 5 HA THR 5 1.725 6.839 1.318
27 HB THR 5 HB THR 5 4.686 6.898 0.695
28 HG1 THR 5 HG1 THR 5 4.857 5.049 2.077
29 HG21 THR 5 HG21 THR 5 3.077 7.054 3.277
30 HG22 THR 5 HG22 THR 5 4.847 7.187 3.145
31 HG23 THR 5 HG23 THR 5 3.804 8.434 2.420
32 H ARG 6 H ARG 6 3.362 7.436 -1.749
33 HA ARG 6 HA ARG 6 3.586 10.287 -1.386
34 HB2 ARG 6 HB2 ARG 6 4.777 8.739 -3.053
35 HB3 ARG 6 HB3 ARG 6 3.286 8.854 -4.017
36 HG2 ARG 6 HG2 ARG 6 3.620 11.076 -4.533
37 HG3 ARG 6 HG3 ARG 6 4.584 11.381 -3.068
38 HD2 ARG 6 HD2 ARG 6 6.474 10.165 -4.016
39 HD3 ARG 6 HD3 ARG 6 5.512 9.737 -5.451
40 HE ARG 6 HE ARG 6 5.482 12.528 -5.289
41 HH11 ARG 6 HH11 ARG 6 7.853 9.959 -5.644
42 HH12 ARG 6 HH12 ARG 6 8.964 10.948 -6.571
43 HH21 ARG 6 HH21 ARG 6 6.929 13.802 -6.489
44 HH22 ARG 6 HH22 ARG 6 8.443 13.118 -7.049
45 H GLN 7 H GLN 7 1.308 8.373 -3.413
46 HA GLN 7 HA GLN 7 -0.380 10.566 -4.043
47 HB2 GLN 7 HB2 GLN 7 -0.226 8.051 -4.880
48 HB3 GLN 7 HB3 GLN 7 -1.520 7.836 -3.678
49 HG2 GLN 7 HG2 GLN 7 -2.515 8.234 -5.853
50 HG3 GLN 7 HG3 GLN 7 -2.813 9.640 -4.803
51 HE21 GLN 7 HE22 GLN 7 -3.197 10.943 -6.656
52 HE22 GLN 7 HE21 GLN 7 -1.865 11.524 -7.636
53 H ALA 8 H ALA 8 -0.174 8.571 -1.161
54 HA ALA 8 HA ALA 8 -2.730 9.102 -0.080
55 HB1 ALA 8 HB1 ALA 8 -0.083 8.744 1.369
56 HB2 ALA 8 HB2 ALA 8 -1.702 8.580 2.089
57 HB3 ALA 8 HB3 ALA 8 -1.165 7.435 0.837
58 H ARG 9 H ARG 9 0.225 11.063 -0.095
59 HA ARG 9 HA ARG 9 -0.540 12.997 1.824
60 HB2 ARG 9 HB2 ARG 9 0.992 13.466 -0.740
61 HB3 ARG 9 HB3 ARG 9 1.027 14.462 0.735
62 HG2 ARG 9 HG2 ARG 9 1.689 11.734 1.386
63 HG3 ARG 9 HG3 ARG 9 2.717 12.291 0.044
64 HD2 ARG 9 HD2 ARG 9 2.366 14.233 2.255
65 HD3 ARG 9 HD3 ARG 9 3.246 12.748 2.688
66 HE ARG 9 HE ARG 9 4.178 13.999 0.230
67 HH11 ARG 9 HH11 ARG 9 4.432 13.897 3.732
68 HH12 ARG 9 HH12 ARG 9 6.054 14.561 3.756
69 HH21 ARG 9 HH21 ARG 9 6.278 14.862 0.269
70 HH22 ARG 9 HH22 ARG 9 7.098 15.107 1.799
71 H ARG 10 H ARG 10 -1.294 12.795 -1.660
72 HA ARG 10 HA ARG 10 -2.532 15.304 -1.963
73 HB2 ARG 10 HB2 ARG 10 -2.039 13.290 -3.607
74 HB3 ARG 10 HB3 ARG 10 -3.731 12.884 -3.233
75 HG2 ARG 10 HG2 ARG 10 -4.368 15.209 -3.919
76 HG3 ARG 10 HG3 ARG 10 -2.686 15.463 -4.442
77 HD2 ARG 10 HD2 ARG 10 -3.592 14.796 -6.445
78 HD3 ARG 10 HD3 ARG 10 -3.158 13.202 -5.783
79 HE ARG 10 HE ARG 10 -5.793 13.857 -4.952
80 HH11 ARG 10 HH11 ARG 10 -3.969 13.029 -7.839
81 HH12 ARG 10 HH12 ARG 10 -5.342 12.293 -8.642
82 HH21 ARG 10 HH21 ARG 10 -7.567 12.902 -5.999
83 HH22 ARG 10 HH22 ARG 10 -7.374 12.221 -7.603
84 H ASN 11 H ASN 11 -4.210 12.193 -1.283
85 HA ASN 11 HA ASN 11 -6.732 13.399 -0.743
86 HB2 ASN 11 HB2 ASN 11 -5.516 10.789 0.220
87 HB3 ASN 11 HB3 ASN 11 -7.224 11.245 0.424
88 HD21 ASN 11 HD22 ASN 11 -4.712 10.275 -1.839
89 HD22 ASN 11 HD21 ASN 11 -5.782 9.918 -3.181
90 H ARG 12 H ARG 12 -3.988 12.631 1.396
91 HA ARG 12 HA ARG 12 -5.219 13.132 3.875
92 HB2 ARG 12 HB2 ARG 12 -2.424 13.544 2.838
93 HB3 ARG 12 HB3 ARG 12 -2.871 13.959 4.509
94 HG2 ARG 12 HG2 ARG 12 -3.312 11.724 5.076
95 HG3 ARG 12 HG3 ARG 12 -3.436 11.223 3.372
96 HD2 ARG 12 HD2 ARG 12 -1.270 10.654 3.381
97 HD3 ARG 12 HD3 ARG 12 -0.834 12.335 3.768
98 HE ARG 12 HE ARG 12 -0.909 10.062 5.589
99 HH11 ARG 12 HH11 ARG 12 -1.030 13.560 5.273
100 HH12 ARG 12 HH12 ARG 12 -0.476 13.848 6.910
101 HH21 ARG 12 HH21 ARG 12 -0.190 10.445 7.709
102 HH22 ARG 12 HH22 ARG 12 -0.002 12.089 8.286
103 H ARG 13 H ARG 13 -3.297 15.502 1.964
104 HA ARG 13 HA ARG 13 -4.043 17.736 3.573
105 HB2 ARG 13 HB2 ARG 13 -2.395 17.219 1.377
106 HB3 ARG 13 HB3 ARG 13 -3.595 18.392 0.786
107 HG2 ARG 13 HG2 ARG 13 -2.095 19.888 1.609
108 HG3 ARG 13 HG3 ARG 13 -2.969 19.560 3.124
109 HD2 ARG 13 HD2 ARG 13 -1.270 18.203 3.966
110 HD3 ARG 13 HD3 ARG 13 -0.614 17.850 2.351
111 HE ARG 13 HE ARG 13 -0.377 20.646 3.055
112 HH11 ARG 13 HH11 ARG 13 1.040 17.456 3.455
113 HH12 ARG 13 HH12 ARG 13 2.650 18.076 3.767
114 HH21 ARG 13 HH21 ARG 13 1.712 21.442 3.459
115 HH22 ARG 13 HH22 ARG 13 3.029 20.328 3.769
116 H ARG 14 H ARG 14 -5.688 16.089 0.948
117 HA ARG 14 HA ARG 14 -7.460 18.101 0.100
118 HB2 ARG 14 HB2 ARG 14 -7.105 15.593 -0.606
119 HB3 ARG 14 HB3 ARG 14 -8.425 15.306 0.553
120 HG2 ARG 14 HG2 ARG 14 -9.979 16.471 -0.719
121 HG3 ARG 14 HG3 ARG 14 -8.731 17.417 -1.563
122 HD2 ARG 14 HD2 ARG 14 -7.993 15.149 -2.575
123 HD3 ARG 14 HD3 ARG 14 -9.578 14.552 -2.028
124 HE ARG 14 HE ARG 14 -10.565 15.670 -3.776
125 HH11 ARG 14 HH11 ARG 14 -7.365 16.999 -3.199
126 HH12 ARG 14 HH12 ARG 14 -7.410 18.040 -4.608
127 HH21 ARG 14 HH21 ARG 14 -10.616 17.022 -5.600
128 HH22 ARG 14 HH22 ARG 14 -9.246 18.053 -5.964
129 H ARG 15 H ARG 15 -7.943 15.747 2.772
130 HA ARG 15 HA ARG 15 -10.456 16.733 3.614
131 HB2 ARG 15 HB2 ARG 15 -8.208 15.229 4.878
132 HB3 ARG 15 HB3 ARG 15 -9.477 15.906 5.927
133 HG2 ARG 15 HG2 ARG 15 -9.965 13.575 5.345
134 HG3 ARG 15 HG3 ARG 15 -11.186 14.680 4.671
135 HD2 ARG 15 HD2 ARG 15 -8.826 13.975 2.967
136 HD3 ARG 15 HD3 ARG 15 -10.082 12.738 3.206
137 HE ARG 15 HE ARG 15 -11.238 15.264 2.472
138 HH11 ARG 15 HH11 ARG 15 -9.506 12.483 1.206
139 HH12 ARG 15 HH12 ARG 15 -10.165 12.654 -0.409
140 HH21 ARG 15 HH21 ARG 15 -12.088 15.481 0.377
141 HH22 ARG 15 HH22 ARG 15 -11.625 14.348 -0.878
142 H TRP 16 H TRP 16 -7.163 17.777 4.513
143 HA TRP 16 HA TRP 16 -7.855 19.578 6.569
144 HB2 TRP 16 HB2 TRP 16 -5.511 18.841 5.683
145 HB3 TRP 16 HB3 TRP 16 -5.688 20.197 4.544
146 HD1 TRP 16 HD1 TRP 16 -6.794 20.224 8.127
147 HE1 TRP 16 HE1 TRP 16 -5.409 22.136 9.448
148 HE3 TRP 16 HE3 TRP 16 -3.615 21.557 4.387
149 HZ2 TRP 16 HZ2 TRP 16 -3.324 23.835 8.833
150 HZ3 TRP 16 HZ3 TRP 16 -1.973 23.280 4.753
151 HH2 TRP 16 HH2 TRP 16 -1.778 24.447 6.942
152 H ARG 17 H ARG 17 -8.000 19.989 3.046
153 HA ARG 17 HA ARG 17 -8.540 22.818 3.128
154 HB2 ARG 17 HB2 ARG 17 -7.788 21.279 1.180
155 HB3 ARG 17 HB3 ARG 17 -9.526 20.946 0.997
156 HG2 ARG 17 HG2 ARG 17 -8.635 23.798 1.151
157 HG3 ARG 17 HG3 ARG 17 -8.314 22.900 -0.351
158 HD2 ARG 17 HD2 ARG 17 -10.782 22.233 -0.309
159 HD3 ARG 17 HD3 ARG 17 -10.987 23.459 0.964
160 HE ARG 17 HE ARG 17 -10.849 25.116 -0.633
161 HH11 ARG 17 HH11 ARG 17 -9.667 22.084 -1.956
162 HH12 ARG 17 HH12 ARG 17 -9.540 22.705 -3.590
163 HH21 ARG 17 HH21 ARG 17 -10.685 25.913 -2.753
164 HH22 ARG 17 HH22 ARG 17 -10.115 24.869 -4.041
165 H GLU 18 H GLU 18 -10.735 20.017 2.589
166 HA GLU 18 HA GLU 18 -13.129 21.544 2.638
167 HB2 GLU 18 HB2 GLU 18 -12.418 18.674 3.137
168 HB3 GLU 18 HB3 GLU 18 -14.065 19.256 3.479
169 HG2 GLU 18 HG2 GLU 18 -14.136 20.130 1.117
170 HG3 GLU 18 HG3 GLU 18 -12.603 19.273 0.830
171 H ARG 19 H ARG 19 -11.102 20.325 5.243
172 HA ARG 19 HA ARG 19 -13.097 20.723 7.317
173 HB2 ARG 19 HB2 ARG 19 -11.007 19.218 7.315
174 HB3 ARG 19 HB3 ARG 19 -10.111 20.709 7.692
175 HG2 ARG 19 HG2 ARG 19 -11.219 20.982 9.763
176 HG3 ARG 19 HG3 ARG 19 -12.482 19.805 9.333
177 HD2 ARG 19 HD2 ARG 19 -10.542 18.089 9.211
178 HD3 ARG 19 HD3 ARG 19 -9.605 19.303 10.114
179 HE ARG 19 HE ARG 19 -11.679 17.572 11.142
180 HH11 ARG 19 HH11 ARG 19 -10.126 20.704 11.497
181 HH12 ARG 19 HH12 ARG 19 -10.533 20.849 13.195
182 HH21 ARG 19 HH21 ARG 19 -12.205 17.770 13.343
183 HH22 ARG 19 HH22 ARG 19 -11.707 19.192 14.238
184 H GLN 20 H GLN 20 -10.672 22.731 5.743
185 HA GLN 20 HA GLN 20 -10.500 24.793 7.693
186 HB2 GLN 20 HB2 GLN 20 -9.268 24.317 5.388
187 HB3 GLN 20 HB3 GLN 20 -10.499 25.452 4.787
188 HG2 GLN 20 HG2 GLN 20 -9.661 27.231 6.036
189 HG3 GLN 20 HG3 GLN 20 -8.857 26.160 7.208
190 HE21 GLN 20 HE22 GLN 20 -7.251 24.562 5.875
191 HE22 GLN 20 HE21 GLN 20 -6.097 25.445 4.895
192 H ARG 21 H ARG 21 -13.025 23.986 5.406
193 HA ARG 21 HA ARG 21 -14.365 26.434 5.166
194 HB2 ARG 21 HB2 ARG 21 -14.855 24.022 4.252
195 HB3 ARG 21 HB3 ARG 21 -15.891 23.914 5.695
196 HG2 ARG 21 HG2 ARG 21 -16.833 26.207 4.832
197 HG3 ARG 21 HG3 ARG 21 -16.153 25.679 3.275
198 HD2 ARG 21 HD2 ARG 21 -17.426 23.446 3.778
199 HD3 ARG 21 HD3 ARG 21 -18.369 24.448 4.906
200 HE ARG 21 HE ARG 21 -18.269 25.758 2.394
201 HH11 ARG 21 HH11 ARG 21 -19.622 22.894 3.912
202 HH12 ARG 21 HH12 ARG 21 -21.006 22.830 2.839
203 HH21 ARG 21 HH21 ARG 21 -20.065 25.670 1.006
204 HH22 ARG 21 HH22 ARG 21 -21.257 24.399 1.197
205 H ALA 22 H ALA 22 -14.183 24.267 7.943
206 HA ALA 22 HA ALA 22 -16.340 25.431 9.408
207 HB1 ALA 22 HB1 ALA 22 -13.830 24.046 10.416
208 HB2 ALA 22 HB2 ALA 22 -15.312 24.342 11.355
209 HB3 ALA 22 HB3 ALA 22 -15.350 23.243 9.956
210 H ALA 23 H ALA 23 -12.869 26.213 9.226
211 HA ALA 23 HA ALA 23 -13.172 28.349 11.205
212 HB1 ALA 23 HB1 ALA 23 -10.839 27.603 9.406
213 HB2 ALA 23 HB2 ALA 23 -10.791 28.758 10.759
214 HB3 ALA 23 HB3 ALA 23 -11.094 27.032 11.072
215 H ALA 24 H ALA 24 -12.303 28.214 7.717
216 HA ALA 24 HA ALA 24 -12.347 31.006 7.309
217 HB1 ALA 24 HB1 ALA 24 -13.035 28.786 5.351
218 HB2 ALA 24 HB2 ALA 24 -12.595 30.457 4.927
219 HB3 ALA 24 HB3 ALA 24 -11.400 29.393 5.706
220 H ALA 25 H ALA 25 -14.984 28.607 7.031
221 HA ALA 25 HA ALA 25 -16.873 30.878 6.661
222 HB1 ALA 25 HB1 ALA 25 -17.256 27.894 6.228
223 HB2 ALA 25 HB2 ALA 25 -18.459 29.164 5.898
224 HB3 ALA 25 HB3 ALA 25 -16.951 29.101 4.956
225 H ARG 26 H ARG 26 -18.015 31.584 8.309
226 HA ARG 26 HA ARG 26 -18.142 29.955 10.773
227 HB2 ARG 26 HB2 ARG 26 -18.887 32.786 10.047
228 HB3 ARG 26 HB3 ARG 26 -19.320 32.048 11.607
229 HG2 ARG 26 HG2 ARG 26 -17.027 31.786 12.219
230 HG3 ARG 26 HG3 ARG 26 -16.476 32.194 10.577
231 HD2 ARG 26 HD2 ARG 26 -17.669 34.469 10.989
232 HD3 ARG 26 HD3 ARG 26 -17.616 34.008 12.707
233 HE ARG 26 HE ARG 26 -15.024 33.656 11.763
234 HH11 ARG 26 HH11 ARG 26 -17.343 36.285 11.989
235 HH12 ARG 26 HH12 ARG 26 -16.110 37.521 12.151
236 HH21 ARG 26 HH21 ARG 26 -13.432 35.263 11.975
237 HH22 ARG 26 HH22 ARG 26 -13.901 36.944 12.143
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 2.887 -1.277 -1.516
2 H2 GLY 1 H2 GLY 1 1.833 -2.072 -2.492
3 H3 GLY 1 H3 GLY 1 1.627 -2.006 -0.756
4 HA2 GLY 1 HA2 GLY 1 0.581 -0.446 -2.717
5 HA3 GLY 1 HA3 GLY 1 0.372 -0.378 -0.951
6 H ALA 2 H ALA 2 3.033 0.278 -3.293
7 HA ALA 2 HA ALA 2 3.937 2.530 -1.681
8 HB1 ALA 2 HB1 ALA 2 4.788 1.583 -4.441
9 HB2 ALA 2 HB2 ALA 2 5.636 2.784 -3.437
10 HB3 ALA 2 HB3 ALA 2 5.525 1.092 -2.897
11 H MET 3 H MET 3 1.838 2.059 -4.439
12 HA MET 3 HA MET 3 1.941 4.755 -5.438
13 HB2 MET 3 HB2 MET 3 -0.398 2.850 -5.560
14 HB3 MET 3 HB3 MET 3 -0.006 4.185 -6.670
15 HG2 MET 3 HG2 MET 3 1.966 2.988 -7.454
16 HG3 MET 3 HG3 MET 3 1.650 1.672 -6.298
17 HE1 MET 3 HE1 MET 3 1.696 2.321 -9.826
18 HE2 MET 3 HE2 MET 3 0.068 2.068 -10.499
19 HE3 MET 3 HE3 MET 3 0.418 3.528 -9.544
20 H ALA 4 H ALA 4 0.012 3.159 -2.918
21 HA ALA 4 HA ALA 4 -1.800 5.344 -2.545
22 HB1 ALA 4 HB1 ALA 4 -0.910 3.189 -0.595
23 HB2 ALA 4 HB2 ALA 4 -2.339 4.235 -0.420
24 HB3 ALA 4 HB3 ALA 4 -2.256 3.057 -1.751
25 H THR 5 H THR 5 1.359 4.545 -1.118
26 HA THR 5 HA THR 5 1.404 6.455 0.964
27 HB THR 5 HB THR 5 3.759 5.745 -0.824
28 HG1 THR 5 HG1 THR 5 4.052 3.996 0.661
29 HG21 THR 5 HG21 THR 5 3.552 6.496 2.120
30 HG22 THR 5 HG22 THR 5 5.051 6.085 1.255
31 HG23 THR 5 HG23 THR 5 4.145 7.553 0.817
32 H ARG 6 H ARG 6 2.316 6.894 -2.467
33 HA ARG 6 HA ARG 6 3.140 9.594 -2.234
34 HB2 ARG 6 HB2 ARG 6 3.129 7.825 -4.216
35 HB3 ARG 6 HB3 ARG 6 1.633 8.689 -4.641
36 HG2 ARG 6 HG2 ARG 6 2.738 10.652 -5.135
37 HG3 ARG 6 HG3 ARG 6 4.097 10.284 -4.046
38 HD2 ARG 6 HD2 ARG 6 5.132 9.925 -6.069
39 HD3 ARG 6 HD3 ARG 6 4.473 8.297 -5.784
40 HE ARG 6 HE ARG 6 3.127 8.563 -7.625
41 HH11 ARG 6 HH11 ARG 6 4.182 11.717 -6.492
42 HH12 ARG 6 HH12 ARG 6 3.466 12.576 -7.842
43 HH21 ARG 6 HH21 ARG 6 2.201 9.684 -9.370
44 HH22 ARG 6 HH22 ARG 6 2.347 11.428 -9.468
45 H GLN 7 H GLN 7 -0.059 8.400 -3.378
46 HA GLN 7 HA GLN 7 -1.312 10.929 -3.428
47 HB2 GLN 7 HB2 GLN 7 -2.076 8.571 -4.235
48 HB3 GLN 7 HB3 GLN 7 -2.767 8.440 -2.600
49 HG2 GLN 7 HG2 GLN 7 -4.578 9.282 -3.764
50 HG3 GLN 7 HG3 GLN 7 -3.816 10.785 -3.191
51 HE21 GLN 7 HE22 GLN 7 -4.585 12.108 -4.813
52 HE22 GLN 7 HE21 GLN 7 -4.076 11.959 -6.484
53 H ALA 8 H ALA 8 -0.564 8.834 -0.716
54 HA ALA 8 HA ALA 8 -2.381 9.855 1.174
55 HB1 ALA 8 HB1 ALA 8 0.489 8.952 1.605
56 HB2 ALA 8 HB2 ALA 8 -0.764 9.096 2.861
57 HB3 ALA 8 HB3 ALA 8 -0.941 7.894 1.561
58 H ARG 9 H ARG 9 0.577 11.262 -0.119
59 HA ARG 9 HA ARG 9 0.890 13.284 1.904
60 HB2 ARG 9 HB2 ARG 9 1.704 13.335 -1.008
61 HB3 ARG 9 HB3 ARG 9 2.332 14.371 0.295
62 HG2 ARG 9 HG2 ARG 9 2.593 11.353 0.286
63 HG3 ARG 9 HG3 ARG 9 3.824 12.440 -0.401
64 HD2 ARG 9 HD2 ARG 9 4.671 12.213 1.727
65 HD3 ARG 9 HD3 ARG 9 3.595 13.607 1.987
66 HE ARG 9 HE ARG 9 2.236 12.295 3.321
67 HH11 ARG 9 HH11 ARG 9 4.485 10.277 1.532
68 HH12 ARG 9 HH12 ARG 9 4.083 8.824 2.426
69 HH21 ARG 9 HH21 ARG 9 1.720 10.410 4.477
70 HH22 ARG 9 HH22 ARG 9 2.520 8.899 4.091
71 H ARG 10 H ARG 10 -0.695 13.311 -1.313
72 HA ARG 10 HA ARG 10 -1.552 16.046 -1.122
73 HB2 ARG 10 HB2 ARG 10 -2.589 13.688 -2.706
74 HB3 ARG 10 HB3 ARG 10 -3.164 15.361 -2.901
75 HG2 ARG 10 HG2 ARG 10 -0.813 16.030 -3.452
76 HG3 ARG 10 HG3 ARG 10 -0.366 14.308 -3.421
77 HD2 ARG 10 HD2 ARG 10 -0.772 15.002 -5.721
78 HD3 ARG 10 HD3 ARG 10 -2.047 13.873 -5.203
79 HE ARG 10 HE ARG 10 -2.947 16.502 -4.699
80 HH11 ARG 10 HH11 ARG 10 -2.125 14.411 -7.400
81 HH12 ARG 10 HH12 ARG 10 -3.245 15.189 -8.502
82 HH21 ARG 10 HH21 ARG 10 -4.397 17.506 -6.132
83 HH22 ARG 10 HH22 ARG 10 -4.529 16.938 -7.785
84 H ASN 11 H ASN 11 -2.905 13.006 0.046
85 HA ASN 11 HA ASN 11 -5.514 14.158 0.651
86 HB2 ASN 11 HB2 ASN 11 -4.184 11.620 1.663
87 HB3 ASN 11 HB3 ASN 11 -5.908 12.038 1.803
88 HD21 ASN 11 HD22 ASN 11 -4.474 9.758 0.467
89 HD22 ASN 11 HD21 ASN 11 -5.057 9.772 -1.186
90 H ARG 12 H ARG 12 -2.435 13.820 2.319
91 HA ARG 12 HA ARG 12 -3.550 14.450 4.941
92 HB2 ARG 12 HB2 ARG 12 -0.824 14.111 3.748
93 HB3 ARG 12 HB3 ARG 12 -1.001 14.927 5.319
94 HG2 ARG 12 HG2 ARG 12 -1.671 13.013 6.400
95 HG3 ARG 12 HG3 ARG 12 -2.377 12.301 4.929
96 HD2 ARG 12 HD2 ARG 12 0.170 12.290 4.148
97 HD3 ARG 12 HD3 ARG 12 0.459 12.276 5.904
98 HE ARG 12 HE ARG 12 -0.520 10.098 4.272
99 HH11 ARG 12 HH11 ARG 12 -0.573 11.534 7.477
100 HH12 ARG 12 HH12 ARG 12 -0.922 10.018 8.285
101 HH21 ARG 12 HH21 ARG 12 -0.969 8.135 5.325
102 HH22 ARG 12 HH22 ARG 12 -1.146 8.097 7.068
103 H ARG 13 H ARG 13 -1.842 16.251 2.375
104 HA ARG 13 HA ARG 13 -1.773 18.718 3.898
105 HB2 ARG 13 HB2 ARG 13 -1.556 18.244 0.919
106 HB3 ARG 13 HB3 ARG 13 -1.102 19.726 1.795
107 HG2 ARG 13 HG2 ARG 13 0.166 17.031 2.336
108 HG3 ARG 13 HG3 ARG 13 0.805 18.174 1.131
109 HD2 ARG 13 HD2 ARG 13 0.419 18.742 4.094
110 HD3 ARG 13 HD3 ARG 13 1.972 18.390 3.298
111 HE ARG 13 HE ARG 13 0.518 20.906 3.294
112 HH11 ARG 13 HH11 ARG 13 2.842 18.892 1.593
113 HH12 ARG 13 HH12 ARG 13 3.603 20.246 0.781
114 HH21 ARG 13 HH21 ARG 13 1.510 22.654 2.239
115 HH22 ARG 13 HH22 ARG 13 2.851 22.372 1.146
116 H ARG 14 H ARG 14 -4.076 17.194 1.710
117 HA ARG 14 HA ARG 14 -5.652 19.618 1.340
118 HB2 ARG 14 HB2 ARG 14 -5.989 16.696 0.733
119 HB3 ARG 14 HB3 ARG 14 -7.363 17.819 0.598
120 HG2 ARG 14 HG2 ARG 14 -6.278 19.089 -1.100
121 HG3 ARG 14 HG3 ARG 14 -4.723 18.275 -0.810
122 HD2 ARG 14 HD2 ARG 14 -5.569 17.280 -2.784
123 HD3 ARG 14 HD3 ARG 14 -5.918 16.108 -1.491
124 HE ARG 14 HE ARG 14 -8.184 16.453 -1.802
125 HH11 ARG 14 HH11 ARG 14 -6.336 18.923 -3.483
126 HH12 ARG 14 HH12 ARG 14 -7.729 19.557 -4.337
127 HH21 ARG 14 HH21 ARG 14 -9.984 17.277 -2.917
128 HH22 ARG 14 HH22 ARG 14 -9.790 18.628 -4.017
129 H ARG 15 H ARG 15 -5.571 16.963 3.649
130 HA ARG 15 HA ARG 15 -8.161 17.180 4.739
131 HB2 ARG 15 HB2 ARG 15 -6.074 15.631 5.248
132 HB3 ARG 15 HB3 ARG 15 -5.805 16.828 6.537
133 HG2 ARG 15 HG2 ARG 15 -8.523 15.596 6.202
134 HG3 ARG 15 HG3 ARG 15 -7.233 14.659 6.992
135 HD2 ARG 15 HD2 ARG 15 -6.878 16.746 8.467
136 HD3 ARG 15 HD3 ARG 15 -8.456 17.293 7.850
137 HE ARG 15 HE ARG 15 -9.510 15.708 9.167
138 HH11 ARG 15 HH11 ARG 15 -6.057 15.076 9.033
139 HH12 ARG 15 HH12 ARG 15 -6.108 13.857 10.292
140 HH21 ARG 15 HH21 ARG 15 -9.568 14.129 10.798
141 HH22 ARG 15 HH22 ARG 15 -8.092 13.322 11.289
142 H TRP 16 H TRP 16 -5.253 19.135 5.392
143 HA TRP 16 HA TRP 16 -6.428 20.647 7.538
144 HB2 TRP 16 HB2 TRP 16 -3.985 20.532 7.178
145 HB3 TRP 16 HB3 TRP 16 -4.166 21.378 5.622
146 HD1 TRP 16 HD1 TRP 16 -3.433 23.637 5.826
147 HE1 TRP 16 HE1 TRP 16 -3.548 25.634 7.646
148 HE3 TRP 16 HE3 TRP 16 -5.894 21.142 9.512
149 HZ2 TRP 16 HZ2 TRP 16 -4.564 25.917 10.195
150 HZ3 TRP 16 HZ3 TRP 16 -6.414 22.251 11.584
151 HH2 TRP 16 HH2 TRP 16 -5.786 24.627 11.981
152 H ARG 17 H ARG 17 -6.656 20.864 4.050
153 HA ARG 17 HA ARG 17 -7.705 23.593 4.081
154 HB2 ARG 17 HB2 ARG 17 -6.447 22.411 2.196
155 HB3 ARG 17 HB3 ARG 17 -7.971 21.546 1.886
156 HG2 ARG 17 HG2 ARG 17 -7.908 24.554 2.018
157 HG3 ARG 17 HG3 ARG 17 -7.423 23.706 0.530
158 HD2 ARG 17 HD2 ARG 17 -9.675 22.431 0.797
159 HD3 ARG 17 HD3 ARG 17 -10.115 23.755 1.902
160 HE ARG 17 HE ARG 17 -9.985 23.854 -0.985
161 HH11 ARG 17 HH11 ARG 17 -9.623 25.726 1.965
162 HH12 ARG 17 HH12 ARG 17 -10.012 27.250 1.191
163 HH21 ARG 17 HH21 ARG 17 -10.484 25.831 -1.982
164 HH22 ARG 17 HH22 ARG 17 -10.499 27.309 -1.040
165 H GLU 18 H GLU 18 -9.158 20.409 3.237
166 HA GLU 18 HA GLU 18 -11.826 21.331 3.113
167 HB2 GLU 18 HB2 GLU 18 -12.451 18.997 3.496
168 HB3 GLU 18 HB3 GLU 18 -11.163 19.169 2.280
169 HG2 GLU 18 HG2 GLU 18 -10.229 17.473 3.442
170 HG3 GLU 18 HG3 GLU 18 -9.651 18.808 4.467
171 H ARG 19 H ARG 19 -9.864 20.371 5.903
172 HA ARG 19 HA ARG 19 -11.973 20.206 7.807
173 HB2 ARG 19 HB2 ARG 19 -9.709 19.404 8.218
174 HB3 ARG 19 HB3 ARG 19 -9.092 21.071 8.131
175 HG2 ARG 19 HG2 ARG 19 -9.251 20.479 10.448
176 HG3 ARG 19 HG3 ARG 19 -10.557 21.633 10.090
177 HD2 ARG 19 HD2 ARG 19 -12.131 19.719 9.841
178 HD3 ARG 19 HD3 ARG 19 -10.818 18.612 10.306
179 HE ARG 19 HE ARG 19 -10.966 20.480 12.357
180 HH11 ARG 19 HH11 ARG 19 -13.131 18.172 10.831
181 HH12 ARG 19 HH12 ARG 19 -14.062 17.896 12.290
182 HH21 ARG 19 HH21 ARG 19 -12.177 20.117 14.244
183 HH22 ARG 19 HH22 ARG 19 -13.524 18.995 14.218
184 H GLN 20 H GLN 20 -10.188 22.982 6.512
185 HA GLN 20 HA GLN 20 -11.371 24.844 8.425
186 HB2 GLN 20 HB2 GLN 20 -9.146 24.927 6.979
187 HB3 GLN 20 HB3 GLN 20 -10.236 25.707 5.808
188 HG2 GLN 20 HG2 GLN 20 -10.863 27.368 7.543
189 HG3 GLN 20 HG3 GLN 20 -9.698 26.612 8.657
190 HE21 GLN 20 HE22 GLN 20 -7.417 26.333 7.591
191 HE22 GLN 20 HE21 GLN 20 -6.804 27.770 6.798
192 H ARG 21 H ARG 21 -12.224 23.542 5.287
193 HA ARG 21 HA ARG 21 -13.951 25.521 4.314
194 HB2 ARG 21 HB2 ARG 21 -13.248 23.117 3.459
195 HB3 ARG 21 HB3 ARG 21 -14.791 22.658 4.217
196 HG2 ARG 21 HG2 ARG 21 -15.775 24.634 2.840
197 HG3 ARG 21 HG3 ARG 21 -14.284 24.492 1.878
198 HD2 ARG 21 HD2 ARG 21 -14.884 21.968 1.733
199 HD3 ARG 21 HD3 ARG 21 -16.509 22.480 2.247
200 HE ARG 21 HE ARG 21 -15.326 22.796 -0.364
201 HH11 ARG 21 HH11 ARG 21 -17.551 24.229 1.946
202 HH12 ARG 21 HH12 ARG 21 -18.495 25.045 0.715
203 HH21 ARG 21 HH21 ARG 21 -16.553 23.859 -1.954
204 HH22 ARG 21 HH22 ARG 21 -17.932 24.836 -1.489
205 H ALA 22 H ALA 22 -14.428 23.282 6.995
206 HA ALA 22 HA ALA 22 -17.251 23.655 7.230
207 HB1 ALA 22 HB1 ALA 22 -15.196 22.968 9.359
208 HB2 ALA 22 HB2 ALA 22 -16.957 22.751 9.495
209 HB3 ALA 22 HB3 ALA 22 -16.033 21.804 8.305
210 H ALA 23 H ALA 23 -14.472 25.416 8.596
211 HA ALA 23 HA ALA 23 -16.253 27.206 10.083
212 HB1 ALA 23 HB1 ALA 23 -13.252 27.301 9.614
213 HB2 ALA 23 HB2 ALA 23 -14.166 28.310 10.761
214 HB3 ALA 23 HB3 ALA 23 -14.067 26.550 11.007
215 H ALA 24 H ALA 24 -13.888 27.599 7.401
216 HA ALA 24 HA ALA 24 -14.549 30.291 6.847
217 HB1 ALA 24 HB1 ALA 24 -13.563 28.137 4.943
218 HB2 ALA 24 HB2 ALA 24 -13.491 29.893 4.666
219 HB3 ALA 24 HB3 ALA 24 -12.540 29.160 5.980
220 H ALA 25 H ALA 25 -15.998 27.262 5.664
221 HA ALA 25 HA ALA 25 -18.106 28.929 4.360
222 HB1 ALA 25 HB1 ALA 25 -17.200 26.103 3.704
223 HB2 ALA 25 HB2 ALA 25 -18.491 27.007 2.878
224 HB3 ALA 25 HB3 ALA 25 -16.805 27.566 2.772
225 H ARG 26 H ARG 26 -19.993 28.972 5.334
226 HA ARG 26 HA ARG 26 -20.647 26.830 7.285
227 HB2 ARG 26 HB2 ARG 26 -21.791 29.555 6.674
228 HB3 ARG 26 HB3 ARG 26 -22.573 28.396 7.774
229 HG2 ARG 26 HG2 ARG 26 -21.379 29.606 9.307
230 HG3 ARG 26 HG3 ARG 26 -20.160 28.379 8.888
231 HD2 ARG 26 HD2 ARG 26 -19.317 30.015 7.123
232 HD3 ARG 26 HD3 ARG 26 -20.362 31.236 7.888
233 HE ARG 26 HE ARG 26 -17.807 30.304 8.826
234 HH11 ARG 26 HH11 ARG 26 -20.963 31.434 9.874
235 HH12 ARG 26 HH12 ARG 26 -20.369 32.057 11.401
236 HH21 ARG 26 HH21 ARG 26 -17.043 31.112 10.809
237 HH22 ARG 26 HH22 ARG 26 -18.154 31.875 11.930
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 0.816 -0.698 -3.054
2 H2 GLY 1 H2 GLY 1 -0.820 -0.658 -2.930
3 H3 GLY 1 H3 GLY 1 0.161 -1.739 -1.966
4 HA2 GLY 1 HA2 GLY 1 -0.822 0.730 -1.401
5 HA3 GLY 1 HA3 GLY 1 0.177 -0.370 -0.420
6 H ALA 2 H ALA 2 2.305 -0.336 -2.571
7 HA ALA 2 HA ALA 2 3.945 1.677 -1.474
8 HB1 ALA 2 HB1 ALA 2 4.129 0.357 -4.205
9 HB2 ALA 2 HB2 ALA 2 5.440 1.223 -3.370
10 HB3 ALA 2 HB3 ALA 2 4.798 -0.290 -2.688
11 H MET 3 H MET 3 1.727 1.779 -4.232
12 HA MET 3 HA MET 3 2.642 4.425 -5.081
13 HB2 MET 3 HB2 MET 3 0.462 2.516 -5.839
14 HB3 MET 3 HB3 MET 3 0.351 4.220 -6.338
15 HG2 MET 3 HG2 MET 3 1.381 3.218 -8.165
16 HG3 MET 3 HG3 MET 3 2.751 3.879 -7.241
17 HE1 MET 3 HE1 MET 3 1.641 1.016 -9.254
18 HE2 MET 3 HE2 MET 3 1.940 -0.465 -8.313
19 HE3 MET 3 HE3 MET 3 0.593 0.612 -7.873
20 H ALA 4 H ALA 4 -0.144 3.113 -3.264
21 HA ALA 4 HA ALA 4 -1.603 5.478 -2.986
22 HB1 ALA 4 HB1 ALA 4 -1.199 3.287 -0.919
23 HB2 ALA 4 HB2 ALA 4 -2.525 4.475 -0.942
24 HB3 ALA 4 HB3 ALA 4 -2.390 3.266 -2.242
25 H THR 5 H THR 5 1.377 4.518 -1.378
26 HA THR 5 HA THR 5 1.304 6.434 0.754
27 HB THR 5 HB THR 5 3.854 5.594 -0.632
28 HG1 THR 5 HG1 THR 5 3.720 3.636 0.597
29 HG21 THR 5 HG21 THR 5 3.057 5.946 2.286
30 HG22 THR 5 HG22 THR 5 4.683 5.529 1.695
31 HG23 THR 5 HG23 THR 5 3.977 7.117 1.311
32 H ARG 6 H ARG 6 2.107 6.738 -2.655
33 HA ARG 6 HA ARG 6 3.435 9.288 -2.403
34 HB2 ARG 6 HB2 ARG 6 3.306 7.507 -4.351
35 HB3 ARG 6 HB3 ARG 6 1.910 8.493 -4.846
36 HG2 ARG 6 HG2 ARG 6 3.589 10.491 -4.560
37 HG3 ARG 6 HG3 ARG 6 4.826 9.222 -4.726
38 HD2 ARG 6 HD2 ARG 6 4.147 8.675 -6.910
39 HD3 ARG 6 HD3 ARG 6 2.561 9.456 -6.711
40 HE ARG 6 HE ARG 6 3.491 11.447 -7.388
41 HH11 ARG 6 HH11 ARG 6 6.039 9.244 -6.388
42 HH12 ARG 6 HH12 ARG 6 7.331 10.305 -6.915
43 HH21 ARG 6 HH21 ARG 6 5.171 12.815 -8.070
44 HH22 ARG 6 HH22 ARG 6 6.840 12.323 -7.865
45 H GLN 7 H GLN 7 0.157 8.488 -3.659
46 HA GLN 7 HA GLN 7 -0.743 11.177 -3.755
47 HB2 GLN 7 HB2 GLN 7 -1.791 9.139 -4.799
48 HB3 GLN 7 HB3 GLN 7 -2.420 8.731 -3.185
49 HG2 GLN 7 HG2 GLN 7 -4.149 9.857 -4.477
50 HG3 GLN 7 HG3 GLN 7 -3.623 10.896 -3.132
51 HE21 GLN 7 HE22 GLN 7 -2.914 10.243 -6.591
52 HE22 GLN 7 HE21 GLN 7 -2.646 11.920 -7.025
53 H ALA 8 H ALA 8 -0.450 8.949 -1.062
54 HA ALA 8 HA ALA 8 -2.248 10.095 0.751
55 HB1 ALA 8 HB1 ALA 8 0.524 8.988 1.317
56 HB2 ALA 8 HB2 ALA 8 -0.781 9.203 2.507
57 HB3 ALA 8 HB3 ALA 8 -0.971 8.033 1.180
58 H ARG 9 H ARG 9 0.934 11.258 -0.275
59 HA ARG 9 HA ARG 9 1.351 13.196 1.749
60 HB2 ARG 9 HB2 ARG 9 2.176 12.880 -1.112
61 HB3 ARG 9 HB3 ARG 9 2.489 14.419 -0.275
62 HG2 ARG 9 HG2 ARG 9 4.471 13.237 0.061
63 HG3 ARG 9 HG3 ARG 9 3.564 12.939 1.564
64 HD2 ARG 9 HD2 ARG 9 2.782 10.775 0.638
65 HD3 ARG 9 HD3 ARG 9 3.747 11.070 -0.828
66 HE ARG 9 HE ARG 9 4.696 10.106 1.727
67 HH11 ARG 9 HH11 ARG 9 5.557 11.944 -1.140
68 HH12 ARG 9 HH12 ARG 9 7.271 11.612 -0.987
69 HH21 ARG 9 HH21 ARG 9 6.918 9.679 1.919
70 HH22 ARG 9 HH22 ARG 9 8.041 10.332 0.742
71 H ARG 10 H ARG 10 -0.268 13.572 -1.436
72 HA ARG 10 HA ARG 10 -1.019 16.306 -0.959
73 HB2 ARG 10 HB2 ARG 10 -2.395 14.292 -2.740
74 HB3 ARG 10 HB3 ARG 10 -2.412 16.066 -2.880
75 HG2 ARG 10 HG2 ARG 10 0.152 15.850 -3.167
76 HG3 ARG 10 HG3 ARG 10 -0.178 14.132 -3.493
77 HD2 ARG 10 HD2 ARG 10 -0.268 14.970 -5.641
78 HD3 ARG 10 HD3 ARG 10 -1.973 15.148 -5.165
79 HE ARG 10 HE ARG 10 -0.846 17.539 -4.429
80 HH11 ARG 10 HH11 ARG 10 -0.938 15.658 -7.395
81 HH12 ARG 10 HH12 ARG 10 -0.856 17.067 -8.435
82 HH21 ARG 10 HH21 ARG 10 -0.744 19.361 -5.783
83 HH22 ARG 10 HH22 ARG 10 -0.746 19.159 -7.524
84 H ASN 11 H ASN 11 -2.683 13.197 -0.421
85 HA ASN 11 HA ASN 11 -5.217 14.255 0.287
86 HB2 ASN 11 HB2 ASN 11 -3.708 11.745 1.028
87 HB3 ASN 11 HB3 ASN 11 -5.306 12.104 1.725
88 HD21 ASN 11 HD22 ASN 11 -4.138 10.067 -0.304
89 HD22 ASN 11 HD21 ASN 11 -5.289 10.123 -1.626
90 H ARG 12 H ARG 12 -2.271 13.790 2.232
91 HA ARG 12 HA ARG 12 -3.432 14.377 4.765
92 HB2 ARG 12 HB2 ARG 12 -1.146 13.425 4.253
93 HB3 ARG 12 HB3 ARG 12 -0.642 15.084 3.853
94 HG2 ARG 12 HG2 ARG 12 0.044 14.752 6.088
95 HG3 ARG 12 HG3 ARG 12 -1.438 15.732 6.188
96 HD2 ARG 12 HD2 ARG 12 -2.742 13.657 6.620
97 HD3 ARG 12 HD3 ARG 12 -1.224 12.727 6.605
98 HE ARG 12 HE ARG 12 -0.769 13.470 8.741
99 HH11 ARG 12 HH11 ARG 12 -3.304 15.435 7.308
100 HH12 ARG 12 HH12 ARG 12 -3.660 16.280 8.802
101 HH21 ARG 12 HH21 ARG 12 -1.235 14.570 10.672
102 HH22 ARG 12 HH22 ARG 12 -2.492 15.792 10.703
103 H ARG 13 H ARG 13 -2.238 16.487 2.176
104 HA ARG 13 HA ARG 13 -2.439 18.904 3.780
105 HB2 ARG 13 HB2 ARG 13 -2.404 18.582 0.775
106 HB3 ARG 13 HB3 ARG 13 -2.052 20.057 1.706
107 HG2 ARG 13 HG2 ARG 13 -0.425 17.506 1.894
108 HG3 ARG 13 HG3 ARG 13 -0.027 18.854 0.802
109 HD2 ARG 13 HD2 ARG 13 -0.210 20.284 3.019
110 HD3 ARG 13 HD3 ARG 13 0.096 18.716 3.804
111 HE ARG 13 HE ARG 13 2.012 19.090 1.748
112 HH11 ARG 13 HH11 ARG 13 1.089 20.403 4.873
113 HH12 ARG 13 HH12 ARG 13 2.718 20.907 5.280
114 HH21 ARG 13 HH21 ARG 13 4.120 19.746 2.280
115 HH22 ARG 13 HH22 ARG 13 4.431 20.535 3.814
116 H ARG 14 H ARG 14 -4.558 17.181 1.505
117 HA ARG 14 HA ARG 14 -6.537 19.249 1.313
118 HB2 ARG 14 HB2 ARG 14 -6.300 17.318 -0.224
119 HB3 ARG 14 HB3 ARG 14 -6.861 16.250 1.084
120 HG2 ARG 14 HG2 ARG 14 -9.016 17.365 1.127
121 HG3 ARG 14 HG3 ARG 14 -8.461 18.549 -0.080
122 HD2 ARG 14 HD2 ARG 14 -8.154 16.701 -1.711
123 HD3 ARG 14 HD3 ARG 14 -8.790 15.557 -0.505
124 HE ARG 14 HE ARG 14 -10.936 16.297 -0.949
125 HH11 ARG 14 HH11 ARG 14 -8.581 18.484 -2.366
126 HH12 ARG 14 HH12 ARG 14 -9.781 19.381 -3.276
127 HH21 ARG 14 HH21 ARG 14 -12.486 17.467 -2.128
128 HH22 ARG 14 HH22 ARG 14 -11.987 18.807 -3.142
129 H ARG 15 H ARG 15 -5.886 16.771 3.722
130 HA ARG 15 HA ARG 15 -8.399 16.705 5.016
131 HB2 ARG 15 HB2 ARG 15 -6.490 15.208 5.478
132 HB3 ARG 15 HB3 ARG 15 -5.641 16.568 6.251
133 HG2 ARG 15 HG2 ARG 15 -6.538 15.496 8.092
134 HG3 ARG 15 HG3 ARG 15 -7.798 16.701 7.734
135 HD2 ARG 15 HD2 ARG 15 -9.069 14.992 6.483
136 HD3 ARG 15 HD3 ARG 15 -7.814 13.788 6.862
137 HE ARG 15 HE ARG 15 -8.983 15.078 9.201
138 HH11 ARG 15 HH11 ARG 15 -9.214 12.446 6.886
139 HH12 ARG 15 HH12 ARG 15 -10.144 11.421 7.961
140 HH21 ARG 15 HH21 ARG 15 -10.184 13.743 10.590
141 HH22 ARG 15 HH22 ARG 15 -10.692 12.153 10.054
142 H TRP 16 H TRP 16 -5.552 18.678 5.990
143 HA TRP 16 HA TRP 16 -6.980 20.248 7.880
144 HB2 TRP 16 HB2 TRP 16 -4.386 20.541 6.370
145 HB3 TRP 16 HB3 TRP 16 -5.025 21.933 7.278
146 HD1 TRP 16 HD1 TRP 16 -2.966 19.068 7.614
147 HE1 TRP 16 HE1 TRP 16 -2.437 18.518 10.210
148 HE3 TRP 16 HE3 TRP 16 -6.523 22.019 9.737
149 HZ2 TRP 16 HZ2 TRP 16 -3.475 19.312 12.641
150 HZ3 TRP 16 HZ3 TRP 16 -6.745 22.111 12.133
151 HH2 TRP 16 HH2 TRP 16 -5.254 20.794 13.629
152 H ARG 17 H ARG 17 -6.616 20.575 4.379
153 HA ARG 17 HA ARG 17 -7.607 23.263 4.199
154 HB2 ARG 17 HB2 ARG 17 -6.419 21.685 2.470
155 HB3 ARG 17 HB3 ARG 17 -8.087 21.201 2.083
156 HG2 ARG 17 HG2 ARG 17 -7.279 24.106 2.151
157 HG3 ARG 17 HG3 ARG 17 -6.984 23.107 0.708
158 HD2 ARG 17 HD2 ARG 17 -9.523 22.459 1.014
159 HD3 ARG 17 HD3 ARG 17 -9.589 23.980 1.935
160 HE ARG 17 HE ARG 17 -9.478 25.142 -0.044
161 HH11 ARG 17 HH11 ARG 17 -8.326 21.862 -0.553
162 HH12 ARG 17 HH12 ARG 17 -8.178 22.055 -2.289
163 HH21 ARG 17 HH21 ARG 17 -9.285 25.383 -2.294
164 HH22 ARG 17 HH22 ARG 17 -8.719 24.043 -3.273
165 H GLU 18 H GLU 18 -9.234 20.079 4.014
166 HA GLU 18 HA GLU 18 -11.847 21.233 3.553
167 HB2 GLU 18 HB2 GLU 18 -10.891 18.529 4.500
168 HB3 GLU 18 HB3 GLU 18 -12.607 18.936 4.266
169 HG2 GLU 18 HG2 GLU 18 -10.435 18.958 2.155
170 HG3 GLU 18 HG3 GLU 18 -11.724 17.744 2.331
171 H ARG 19 H ARG 19 -9.968 20.417 6.428
172 HA ARG 19 HA ARG 19 -12.093 20.473 8.321
173 HB2 ARG 19 HB2 ARG 19 -9.803 19.665 8.755
174 HB3 ARG 19 HB3 ARG 19 -9.214 21.340 8.646
175 HG2 ARG 19 HG2 ARG 19 -9.416 20.829 10.967
176 HG3 ARG 19 HG3 ARG 19 -10.767 21.909 10.549
177 HD2 ARG 19 HD2 ARG 19 -11.173 18.936 10.403
178 HD3 ARG 19 HD3 ARG 19 -11.172 19.729 11.996
179 HE ARG 19 HE ARG 19 -12.890 21.194 10.305
180 HH11 ARG 19 HH11 ARG 19 -12.655 18.011 11.774
181 HH12 ARG 19 HH12 ARG 19 -14.391 17.788 11.859
182 HH21 ARG 19 HH21 ARG 19 -15.138 20.900 10.421
183 HH22 ARG 19 HH22 ARG 19 -15.795 19.421 11.095
184 H GLN 20 H GLN 20 -10.301 23.067 6.729
185 HA GLN 20 HA GLN 20 -11.387 25.130 8.498
186 HB2 GLN 20 HB2 GLN 20 -9.190 25.021 7.006
187 HB3 GLN 20 HB3 GLN 20 -10.287 25.723 5.793
188 HG2 GLN 20 HG2 GLN 20 -10.465 27.717 6.900
189 HG3 GLN 20 HG3 GLN 20 -10.287 26.965 8.503
190 HE21 GLN 20 HE22 GLN 20 -8.182 26.797 5.607
191 HE22 GLN 20 HE21 GLN 20 -6.768 27.480 6.386
192 H ARG 21 H ARG 21 -12.330 23.561 5.512
193 HA ARG 21 HA ARG 21 -14.030 25.479 4.385
194 HB2 ARG 21 HB2 ARG 21 -13.402 22.977 3.768
195 HB3 ARG 21 HB3 ARG 21 -14.954 22.650 4.576
196 HG2 ARG 21 HG2 ARG 21 -15.948 24.432 3.031
197 HG3 ARG 21 HG3 ARG 21 -14.430 24.321 2.109
198 HD2 ARG 21 HD2 ARG 21 -14.978 21.717 2.211
199 HD3 ARG 21 HD3 ARG 21 -16.640 22.318 2.416
200 HE ARG 21 HE ARG 21 -15.306 23.601 0.206
201 HH11 ARG 21 HH11 ARG 21 -16.938 20.659 1.219
202 HH12 ARG 21 HH12 ARG 21 -17.455 20.243 -0.403
203 HH21 ARG 21 HH21 ARG 21 -15.978 23.055 -1.892
204 HH22 ARG 21 HH22 ARG 21 -16.913 21.597 -2.162
205 H ALA 22 H ALA 22 -14.514 23.507 7.271
206 HA ALA 22 HA ALA 22 -17.316 23.947 7.529
207 HB1 ALA 22 HB1 ALA 22 -15.220 23.499 9.684
208 HB2 ALA 22 HB2 ALA 22 -16.979 23.311 9.879
209 HB3 ALA 22 HB3 ALA 22 -16.083 22.226 8.789
210 H ALA 23 H ALA 23 -14.503 25.819 8.678
211 HA ALA 23 HA ALA 23 -16.264 27.796 9.938
212 HB1 ALA 23 HB1 ALA 23 -13.258 27.785 9.494
213 HB2 ALA 23 HB2 ALA 23 -14.162 28.933 10.509
214 HB3 ALA 23 HB3 ALA 23 -14.098 27.211 10.954
215 H ALA 24 H ALA 24 -13.864 27.844 7.257
216 HA ALA 24 HA ALA 24 -14.404 30.453 6.386
217 HB1 ALA 24 HB1 ALA 24 -13.640 28.036 4.712
218 HB2 ALA 24 HB2 ALA 24 -13.460 29.741 4.234
219 HB3 ALA 24 HB3 ALA 24 -12.511 29.093 5.592
220 H ALA 25 H ALA 25 -16.015 27.402 5.452
221 HA ALA 25 HA ALA 25 -18.101 29.067 4.115
222 HB1 ALA 25 HB1 ALA 25 -17.358 26.155 3.669
223 HB2 ALA 25 HB2 ALA 25 -18.629 27.055 2.808
224 HB3 ALA 25 HB3 ALA 25 -16.922 27.516 2.608
225 H ARG 26 H ARG 26 -20.091 29.120 4.899
226 HA ARG 26 HA ARG 26 -20.694 27.599 7.327
227 HB2 ARG 26 HB2 ARG 26 -22.516 29.361 5.686
228 HB3 ARG 26 HB3 ARG 26 -22.707 28.872 7.387
229 HG2 ARG 26 HG2 ARG 26 -20.375 30.084 7.657
230 HG3 ARG 26 HG3 ARG 26 -20.883 30.922 6.171
231 HD2 ARG 26 HD2 ARG 26 -22.488 30.775 8.749
232 HD3 ARG 26 HD3 ARG 26 -21.522 32.172 8.216
233 HE ARG 26 HE ARG 26 -23.328 31.539 6.146
234 HH11 ARG 26 HH11 ARG 26 -23.366 32.676 9.471
235 HH12 ARG 26 HH12 ARG 26 -24.850 33.586 9.271
236 HH21 ARG 26 HH21 ARG 26 -25.249 32.725 5.895
237 HH22 ARG 26 HH22 ARG 26 -25.914 33.614 7.251
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 5.047 -0.134 -0.494
2 H2 GLY 1 H2 GLY 1 5.178 -1.363 -1.575
3 H3 GLY 1 H3 GLY 1 3.665 -0.968 -0.790
4 HA2 GLY 1 HA2 GLY 1 4.660 -0.193 -3.197
5 HA3 GLY 1 HA3 GLY 1 3.121 0.209 -2.399
6 H ALA 2 H ALA 2 5.720 1.572 -3.821
7 HA ALA 2 HA ALA 2 6.282 3.687 -1.904
8 HB1 ALA 2 HB1 ALA 2 6.921 3.461 -4.866
9 HB2 ALA 2 HB2 ALA 2 7.602 4.655 -3.736
10 HB3 ALA 2 HB3 ALA 2 7.968 2.925 -3.530
11 H MET 3 H MET 3 4.400 3.434 -4.942
12 HA MET 3 HA MET 3 3.561 6.173 -4.960
13 HB2 MET 3 HB2 MET 3 1.801 5.372 -6.479
14 HB3 MET 3 HB3 MET 3 3.429 4.821 -6.938
15 HG2 MET 3 HG2 MET 3 3.001 2.614 -6.130
16 HG3 MET 3 HG3 MET 3 1.482 3.127 -5.358
17 HE1 MET 3 HE1 MET 3 3.336 2.727 -8.840
18 HE2 MET 3 HE2 MET 3 2.010 3.107 -9.964
19 HE3 MET 3 HE3 MET 3 2.654 4.370 -8.888
20 H ALA 4 H ALA 4 2.392 3.332 -3.245
21 HA ALA 4 HA ALA 4 -0.193 4.199 -2.586
22 HB1 ALA 4 HB1 ALA 4 1.770 2.659 -0.852
23 HB2 ALA 4 HB2 ALA 4 0.006 2.730 -0.627
24 HB3 ALA 4 HB3 ALA 4 0.688 1.955 -2.077
25 H THR 5 H THR 5 2.883 4.884 -0.877
26 HA THR 5 HA THR 5 1.635 6.519 1.155
27 HB THR 5 HB THR 5 4.103 7.435 1.258
28 HG1 THR 5 HG1 THR 5 5.573 5.896 0.349
29 HG21 THR 5 HG21 THR 5 3.455 4.517 1.846
30 HG22 THR 5 HG22 THR 5 4.789 5.451 2.563
31 HG23 THR 5 HG23 THR 5 3.102 5.896 2.914
32 H ARG 6 H ARG 6 3.090 7.241 -2.006
33 HA ARG 6 HA ARG 6 3.171 10.043 -1.809
34 HB2 ARG 6 HB2 ARG 6 3.639 8.181 -3.751
35 HB3 ARG 6 HB3 ARG 6 2.166 8.973 -4.359
36 HG2 ARG 6 HG2 ARG 6 3.226 10.944 -4.775
37 HG3 ARG 6 HG3 ARG 6 4.328 10.766 -3.388
38 HD2 ARG 6 HD2 ARG 6 4.530 9.244 -6.014
39 HD3 ARG 6 HD3 ARG 6 5.530 10.642 -5.551
40 HE ARG 6 HE ARG 6 5.884 7.899 -4.735
41 HH11 ARG 6 HH11 ARG 6 6.270 11.241 -3.719
42 HH12 ARG 6 HH12 ARG 6 7.577 10.879 -2.608
43 HH21 ARG 6 HH21 ARG 6 7.575 7.438 -3.293
44 HH22 ARG 6 HH22 ARG 6 8.314 8.729 -2.367
45 H GLN 7 H GLN 7 0.487 8.131 -3.257
46 HA GLN 7 HA GLN 7 -1.293 10.356 -3.421
47 HB2 GLN 7 HB2 GLN 7 -1.551 8.273 -4.688
48 HB3 GLN 7 HB3 GLN 7 -1.881 7.397 -3.174
49 HG2 GLN 7 HG2 GLN 7 -3.984 8.352 -2.921
50 HG3 GLN 7 HG3 GLN 7 -3.578 9.762 -3.928
51 HE21 GLN 7 HE22 GLN 7 -3.425 9.471 -6.250
52 HE22 GLN 7 HE21 GLN 7 -4.367 8.211 -7.025
53 H ALA 8 H ALA 8 -0.443 8.234 -0.766
54 HA ALA 8 HA ALA 8 -2.715 8.642 0.868
55 HB1 ALA 8 HB1 ALA 8 0.188 8.280 1.691
56 HB2 ALA 8 HB2 ALA 8 -1.234 8.042 2.734
57 HB3 ALA 8 HB3 ALA 8 -0.966 6.972 1.336
58 H ARG 9 H ARG 9 0.051 10.725 0.200
59 HA ARG 9 HA ARG 9 -0.663 12.595 2.353
60 HB2 ARG 9 HB2 ARG 9 1.674 12.026 1.328
61 HB3 ARG 9 HB3 ARG 9 1.191 13.198 0.079
62 HG2 ARG 9 HG2 ARG 9 2.373 14.518 1.593
63 HG3 ARG 9 HG3 ARG 9 0.679 14.771 2.076
64 HD2 ARG 9 HD2 ARG 9 0.894 13.248 3.919
65 HD3 ARG 9 HD3 ARG 9 2.489 12.698 3.354
66 HE ARG 9 HE ARG 9 2.601 15.494 3.818
67 HH11 ARG 9 HH11 ARG 9 2.255 12.462 5.558
68 HH12 ARG 9 HH12 ARG 9 3.002 13.076 7.020
69 HH21 ARG 9 HH21 ARG 9 3.569 16.281 5.715
70 HH22 ARG 9 HH22 ARG 9 3.745 15.233 7.109
71 H ARG 10 H ARG 10 -1.306 12.172 -1.071
72 HA ARG 10 HA ARG 10 -2.083 14.849 -1.677
73 HB2 ARG 10 HB2 ARG 10 -3.148 12.242 -2.784
74 HB3 ARG 10 HB3 ARG 10 -3.319 13.853 -3.521
75 HG2 ARG 10 HG2 ARG 10 -0.850 13.982 -3.732
76 HG3 ARG 10 HG3 ARG 10 -0.731 12.332 -3.077
77 HD2 ARG 10 HD2 ARG 10 -0.675 11.883 -5.343
78 HD3 ARG 10 HD3 ARG 10 -2.425 11.783 -5.036
79 HE ARG 10 HE ARG 10 -1.577 14.447 -5.783
80 HH11 ARG 10 HH11 ARG 10 -2.431 11.261 -6.990
81 HH12 ARG 10 HH12 ARG 10 -2.939 11.857 -8.558
82 HH21 ARG 10 HH21 ARG 10 -2.237 15.212 -7.817
83 HH22 ARG 10 HH22 ARG 10 -2.830 14.090 -9.026
84 H ASN 11 H ASN 11 -3.860 12.137 -0.217
85 HA ASN 11 HA ASN 11 -6.329 13.764 -0.114
86 HB2 ASN 11 HB2 ASN 11 -7.247 11.703 0.983
87 HB3 ASN 11 HB3 ASN 11 -6.621 11.441 -0.662
88 HD21 ASN 11 HD22 ASN 11 -5.547 9.602 -0.886
89 HD22 ASN 11 HD21 ASN 11 -4.555 8.837 0.341
90 H ARG 12 H ARG 12 -3.656 12.795 1.939
91 HA ARG 12 HA ARG 12 -4.996 13.478 4.430
92 HB2 ARG 12 HB2 ARG 12 -3.175 11.880 4.369
93 HB3 ARG 12 HB3 ARG 12 -2.084 13.116 3.699
94 HG2 ARG 12 HG2 ARG 12 -3.433 13.715 6.293
95 HG3 ARG 12 HG3 ARG 12 -2.136 12.497 6.305
96 HD2 ARG 12 HD2 ARG 12 -0.884 14.370 4.868
97 HD3 ARG 12 HD3 ARG 12 -2.004 15.436 5.749
98 HE ARG 12 HE ARG 12 0.310 14.056 6.812
99 HH11 ARG 12 HH11 ARG 12 -2.858 15.372 7.569
100 HH12 ARG 12 HH12 ARG 12 -2.484 15.621 9.263
101 HH21 ARG 12 HH21 ARG 12 0.787 14.380 9.009
102 HH22 ARG 12 HH22 ARG 12 -0.425 15.061 10.077
103 H ARG 13 H ARG 13 -3.062 15.203 2.039
104 HA ARG 13 HA ARG 13 -2.666 17.528 3.762
105 HB2 ARG 13 HB2 ARG 13 -1.688 18.540 1.841
106 HB3 ARG 13 HB3 ARG 13 -1.108 16.862 1.957
107 HG2 ARG 13 HG2 ARG 13 -1.574 16.923 -0.281
108 HG3 ARG 13 HG3 ARG 13 -3.171 16.430 0.330
109 HD2 ARG 13 HD2 ARG 13 -4.121 18.488 -0.084
110 HD3 ARG 13 HD3 ARG 13 -2.584 19.359 0.126
111 HE ARG 13 HE ARG 13 -3.656 18.234 -2.334
112 HH11 ARG 13 HH11 ARG 13 -0.770 19.260 -0.612
113 HH12 ARG 13 HH12 ARG 13 0.146 19.554 -2.077
114 HH21 ARG 13 HH21 ARG 13 -2.460 18.616 -4.228
115 HH22 ARG 13 HH22 ARG 13 -0.808 19.190 -4.119
116 H ARG 14 H ARG 14 -5.096 16.417 1.493
117 HA ARG 14 HA ARG 14 -6.309 19.047 1.149
118 HB2 ARG 14 HB2 ARG 14 -6.393 16.817 -0.294
119 HB3 ARG 14 HB3 ARG 14 -7.811 16.506 0.737
120 HG2 ARG 14 HG2 ARG 14 -8.756 17.568 -1.106
121 HG3 ARG 14 HG3 ARG 14 -8.537 18.907 0.046
122 HD2 ARG 14 HD2 ARG 14 -6.186 19.114 -1.170
123 HD3 ARG 14 HD3 ARG 14 -7.052 18.293 -2.490
124 HE ARG 14 HE ARG 14 -7.419 21.032 -1.565
125 HH11 ARG 14 HH11 ARG 14 -8.828 18.304 -3.274
126 HH12 ARG 14 HH12 ARG 14 -9.936 19.299 -4.199
127 HH21 ARG 14 HH21 ARG 14 -8.858 22.315 -2.768
128 HH22 ARG 14 HH22 ARG 14 -9.953 21.565 -3.913
129 H ARG 15 H ARG 15 -6.578 16.412 3.444
130 HA ARG 15 HA ARG 15 -9.137 16.848 4.496
131 HB2 ARG 15 HB2 ARG 15 -7.130 15.214 5.107
132 HB3 ARG 15 HB3 ARG 15 -6.861 16.435 6.374
133 HG2 ARG 15 HG2 ARG 15 -8.806 15.924 7.481
134 HG3 ARG 15 HG3 ARG 15 -9.636 15.394 5.999
135 HD2 ARG 15 HD2 ARG 15 -8.091 13.381 5.988
136 HD3 ARG 15 HD3 ARG 15 -7.558 13.879 7.611
137 HE ARG 15 HE ARG 15 -10.298 13.774 7.823
138 HH11 ARG 15 HH11 ARG 15 -7.802 11.544 6.756
139 HH12 ARG 15 HH12 ARG 15 -8.690 10.119 7.261
140 HH21 ARG 15 HH21 ARG 15 -11.441 11.924 8.475
141 HH22 ARG 15 HH22 ARG 15 -10.745 10.333 8.232
142 H TRP 16 H TRP 16 -6.195 18.762 4.937
143 HA TRP 16 HA TRP 16 -7.220 20.367 7.103
144 HB2 TRP 16 HB2 TRP 16 -4.944 20.611 5.125
145 HB3 TRP 16 HB3 TRP 16 -5.373 21.982 6.175
146 HD1 TRP 16 HD1 TRP 16 -3.046 19.485 6.029
147 HE1 TRP 16 HE1 TRP 16 -2.133 18.713 8.455
148 HE3 TRP 16 HE3 TRP 16 -6.772 21.443 8.883
149 HZ2 TRP 16 HZ2 TRP 16 -2.996 18.986 11.062
150 HZ3 TRP 16 HZ3 TRP 16 -6.722 21.191 11.277
151 HH2 TRP 16 HH2 TRP 16 -4.871 19.980 12.418
152 H ARG 17 H ARG 17 -7.379 20.624 3.567
153 HA ARG 17 HA ARG 17 -8.439 23.302 3.534
154 HB2 ARG 17 HB2 ARG 17 -7.412 21.762 1.663
155 HB3 ARG 17 HB3 ARG 17 -9.106 21.262 1.454
156 HG2 ARG 17 HG2 ARG 17 -8.349 24.179 1.492
157 HG3 ARG 17 HG3 ARG 17 -8.167 23.215 0.007
158 HD2 ARG 17 HD2 ARG 17 -10.601 22.530 0.304
159 HD3 ARG 17 HD3 ARG 17 -10.707 23.778 1.568
160 HE ARG 17 HE ARG 17 -9.638 24.961 -0.772
161 HH11 ARG 17 HH11 ARG 17 -12.617 23.530 0.418
162 HH12 ARG 17 HH12 ARG 17 -13.642 24.501 -0.622
163 HH21 ARG 17 HH21 ARG 17 -10.971 26.216 -2.115
164 HH22 ARG 17 HH22 ARG 17 -12.712 26.019 -2.053
165 H GLU 18 H GLU 18 -10.096 20.153 2.984
166 HA GLU 18 HA GLU 18 -12.718 21.182 2.978
167 HB2 GLU 18 HB2 GLU 18 -13.441 18.947 3.460
168 HB3 GLU 18 HB3 GLU 18 -12.078 18.900 2.316
169 HG2 GLU 18 HG2 GLU 18 -10.555 18.331 4.147
170 HG3 GLU 18 HG3 GLU 18 -11.912 18.387 5.297
171 H ARG 19 H ARG 19 -10.563 20.516 5.680
172 HA ARG 19 HA ARG 19 -12.672 20.718 7.685
173 HB2 ARG 19 HB2 ARG 19 -9.664 20.640 7.715
174 HB3 ARG 19 HB3 ARG 19 -10.597 21.018 9.183
175 HG2 ARG 19 HG2 ARG 19 -11.044 18.519 7.533
176 HG3 ARG 19 HG3 ARG 19 -9.893 18.590 8.888
177 HD2 ARG 19 HD2 ARG 19 -11.988 19.572 10.180
178 HD3 ARG 19 HD3 ARG 19 -12.894 18.717 8.910
179 HE ARG 19 HE ARG 19 -11.409 17.541 11.123
180 HH11 ARG 19 HH11 ARG 19 -12.745 17.053 7.912
181 HH12 ARG 19 HH12 ARG 19 -12.850 15.312 8.087
182 HH21 ARG 19 HH21 ARG 19 -11.545 15.285 11.342
183 HH22 ARG 19 HH22 ARG 19 -12.172 14.313 10.025
184 H GLN 20 H GLN 20 -10.553 22.943 6.002
185 HA GLN 20 HA GLN 20 -10.828 25.112 7.897
186 HB2 GLN 20 HB2 GLN 20 -9.168 24.651 5.871
187 HB3 GLN 20 HB3 GLN 20 -10.392 25.594 4.989
188 HG2 GLN 20 HG2 GLN 20 -10.120 27.452 6.557
189 HG3 GLN 20 HG3 GLN 20 -8.938 26.508 7.495
190 HE21 GLN 20 HE22 GLN 20 -7.133 25.538 5.944
191 HE22 GLN 20 HE21 GLN 20 -6.386 26.733 4.901
192 H ARG 21 H ARG 21 -12.808 23.868 5.289
193 HA ARG 21 HA ARG 21 -14.348 26.115 4.639
194 HB2 ARG 21 HB2 ARG 21 -14.404 23.645 3.809
195 HB3 ARG 21 HB3 ARG 21 -15.611 23.433 5.099
196 HG2 ARG 21 HG2 ARG 21 -16.777 23.870 3.038
197 HG3 ARG 21 HG3 ARG 21 -16.934 25.296 4.091
198 HD2 ARG 21 HD2 ARG 21 -15.584 26.605 2.758
199 HD3 ARG 21 HD3 ARG 21 -14.646 25.216 2.161
200 HE ARG 21 HE ARG 21 -17.174 24.855 1.103
201 HH11 ARG 21 HH11 ARG 21 -14.760 27.407 1.060
202 HH12 ARG 21 HH12 ARG 21 -15.230 27.991 -0.525
203 HH21 ARG 21 HH21 ARG 21 -17.774 25.614 -0.952
204 HH22 ARG 21 HH22 ARG 21 -16.933 26.978 -1.662
205 H ALA 22 H ALA 22 -14.435 24.134 7.561
206 HA ALA 22 HA ALA 22 -16.925 25.129 8.546
207 HB1 ALA 22 HB1 ALA 22 -14.511 24.080 10.065
208 HB2 ALA 22 HB2 ALA 22 -16.159 24.261 10.712
209 HB3 ALA 22 HB3 ALA 22 -15.839 23.093 9.408
210 H ALA 23 H ALA 23 -13.581 26.304 8.843
211 HA ALA 23 HA ALA 23 -14.424 28.474 10.622
212 HB1 ALA 23 HB1 ALA 23 -11.766 27.921 9.257
213 HB2 ALA 23 HB2 ALA 23 -12.060 29.136 10.523
214 HB3 ALA 23 HB3 ALA 23 -12.222 27.403 10.897
215 H ALA 24 H ALA 24 -13.000 28.274 7.325
216 HA ALA 24 HA ALA 24 -13.295 31.026 6.743
217 HB1 ALA 24 HB1 ALA 24 -13.354 28.656 4.843
218 HB2 ALA 24 HB2 ALA 24 -13.053 30.351 4.394
219 HB3 ALA 24 HB3 ALA 24 -11.893 29.486 5.429
220 H ALA 25 H ALA 25 -15.535 28.297 6.209
221 HA ALA 25 HA ALA 25 -17.612 30.309 5.470
222 HB1 ALA 25 HB1 ALA 25 -17.484 27.331 4.880
223 HB2 ALA 25 HB2 ALA 25 -18.776 28.445 4.374
224 HB3 ALA 25 HB3 ALA 25 -17.130 28.639 3.726
225 H ARG 26 H ARG 26 -19.406 30.552 6.643
226 HA ARG 26 HA ARG 26 -19.671 28.809 9.055
227 HB2 ARG 26 HB2 ARG 26 -20.469 31.631 8.388
228 HB3 ARG 26 HB3 ARG 26 -21.257 30.735 9.709
229 HG2 ARG 26 HG2 ARG 26 -19.225 30.547 10.926
230 HG3 ARG 26 HG3 ARG 26 -18.255 31.068 9.528
231 HD2 ARG 26 HD2 ARG 26 -20.315 32.847 10.864
232 HD3 ARG 26 HD3 ARG 26 -18.606 32.807 11.359
233 HE ARG 26 HE ARG 26 -18.813 33.231 8.538
234 HH11 ARG 26 HH11 ARG 26 -19.289 34.823 11.633
235 HH12 ARG 26 HH12 ARG 26 -18.978 36.425 10.993
236 HH21 ARG 26 HH21 ARG 26 -18.407 35.309 7.718
237 HH22 ARG 26 HH22 ARG 26 -18.479 36.700 8.782
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 2.509 -0.579 0.684
2 H2 GLY 1 H2 GLY 1 1.702 -1.746 -0.142
3 H3 GLY 1 H3 GLY 1 0.998 -0.917 1.229
4 HA2 GLY 1 HA2 GLY 1 0.793 -0.413 -1.432
5 HA3 GLY 1 HA3 GLY 1 0.077 0.429 -0.038
6 H ALA 2 H ALA 2 3.059 0.151 -1.999
7 HA ALA 2 HA ALA 2 4.320 2.482 -0.978
8 HB1 ALA 2 HB1 ALA 2 4.537 1.228 -3.737
9 HB2 ALA 2 HB2 ALA 2 5.685 2.382 -3.018
10 HB3 ALA 2 HB3 ALA 2 5.485 0.764 -2.304
11 H MET 3 H MET 3 2.037 2.041 -3.684
12 HA MET 3 HA MET 3 2.171 4.823 -4.501
13 HB2 MET 3 HB2 MET 3 0.029 2.746 -5.002
14 HB3 MET 3 HB3 MET 3 0.260 4.277 -5.881
15 HG2 MET 3 HG2 MET 3 2.615 3.343 -6.424
16 HG3 MET 3 HG3 MET 3 1.931 1.770 -5.948
17 HE1 MET 3 HE1 MET 3 2.087 4.598 -8.598
18 HE2 MET 3 HE2 MET 3 0.637 4.316 -9.589
19 HE3 MET 3 HE3 MET 3 0.471 4.907 -7.919
20 H ALA 4 H ALA 4 0.307 3.006 -2.141
21 HA ALA 4 HA ALA 4 -1.742 5.005 -1.813
22 HB1 ALA 4 HB1 ALA 4 -0.783 2.835 0.086
23 HB2 ALA 4 HB2 ALA 4 -2.300 3.755 0.227
24 HB3 ALA 4 HB3 ALA 4 -2.051 2.653 -1.149
25 H THR 5 H THR 5 1.429 4.443 -0.331
26 HA THR 5 HA THR 5 1.046 6.519 1.697
27 HB THR 5 HB THR 5 3.664 6.218 1.764
28 HG1 THR 5 HG1 THR 5 4.253 4.126 0.965
29 HG21 THR 5 HG21 THR 5 1.772 3.957 2.528
30 HG22 THR 5 HG22 THR 5 3.399 4.223 3.198
31 HG23 THR 5 HG23 THR 5 2.106 5.407 3.503
32 H ARG 6 H ARG 6 2.286 6.371 -1.586
33 HA ARG 6 HA ARG 6 3.722 8.853 -1.518
34 HB2 ARG 6 HB2 ARG 6 3.828 7.013 -3.256
35 HB3 ARG 6 HB3 ARG 6 2.284 7.642 -3.880
36 HG2 ARG 6 HG2 ARG 6 3.945 8.625 -5.240
37 HG3 ARG 6 HG3 ARG 6 3.459 9.896 -4.094
38 HD2 ARG 6 HD2 ARG 6 5.432 9.644 -2.809
39 HD3 ARG 6 HD3 ARG 6 5.819 8.078 -3.560
40 HE ARG 6 HE ARG 6 5.898 9.795 -5.678
41 HH11 ARG 6 HH11 ARG 6 7.353 9.820 -2.481
42 HH12 ARG 6 HH12 ARG 6 8.772 10.710 -3.001
43 HH21 ARG 6 HH21 ARG 6 7.740 10.944 -6.344
44 HH22 ARG 6 HH22 ARG 6 8.990 11.345 -5.183
45 H GLN 7 H GLN 7 0.459 8.134 -2.858
46 HA GLN 7 HA GLN 7 -0.202 10.891 -3.255
47 HB2 GLN 7 HB2 GLN 7 -1.473 8.285 -3.465
48 HB3 GLN 7 HB3 GLN 7 -2.583 9.519 -2.823
49 HG2 GLN 7 HG2 GLN 7 -1.505 10.901 -4.878
50 HG3 GLN 7 HG3 GLN 7 -1.369 9.250 -5.528
51 HE21 GLN 7 HE22 GLN 7 -3.373 11.949 -5.140
52 HE22 GLN 7 HE21 GLN 7 -4.898 11.203 -5.577
53 H ALA 8 H ALA 8 -0.352 8.800 -0.443
54 HA ALA 8 HA ALA 8 -2.241 10.164 1.105
55 HB1 ALA 8 HB1 ALA 8 0.364 8.899 2.025
56 HB2 ALA 8 HB2 ALA 8 -1.042 9.269 3.052
57 HB3 ALA 8 HB3 ALA 8 -1.176 8.044 1.768
58 H ARG 9 H ARG 9 1.003 11.140 0.209
59 HA ARG 9 HA ARG 9 1.325 13.159 2.238
60 HB2 ARG 9 HB2 ARG 9 2.990 12.031 0.514
61 HB3 ARG 9 HB3 ARG 9 2.521 13.428 -0.483
62 HG2 ARG 9 HG2 ARG 9 4.352 14.310 0.587
63 HG3 ARG 9 HG3 ARG 9 3.071 14.766 1.735
64 HD2 ARG 9 HD2 ARG 9 3.572 12.634 2.996
65 HD3 ARG 9 HD3 ARG 9 4.983 12.415 1.934
66 HE ARG 9 HE ARG 9 4.937 15.011 3.219
67 HH11 ARG 9 HH11 ARG 9 5.776 11.621 3.604
68 HH12 ARG 9 HH12 ARG 9 6.998 11.937 4.820
69 HH21 ARG 9 HH21 ARG 9 6.519 15.411 4.796
70 HH22 ARG 9 HH22 ARG 9 7.418 14.078 5.494
71 H ARG 10 H ARG 10 0.566 13.520 -1.261
72 HA ARG 10 HA ARG 10 -0.164 16.277 -1.014
73 HB2 ARG 10 HB2 ARG 10 -1.140 16.000 -3.221
74 HB3 ARG 10 HB3 ARG 10 0.479 15.268 -3.123
75 HG2 ARG 10 HG2 ARG 10 -0.586 13.041 -2.829
76 HG3 ARG 10 HG3 ARG 10 -2.179 13.806 -3.041
77 HD2 ARG 10 HD2 ARG 10 0.064 13.560 -5.067
78 HD3 ARG 10 HD3 ARG 10 -1.579 12.883 -5.165
79 HE ARG 10 HE ARG 10 -2.022 15.580 -5.007
80 HH11 ARG 10 HH11 ARG 10 -0.015 13.542 -7.046
81 HH12 ARG 10 HH12 ARG 10 -0.124 14.612 -8.431
82 HH21 ARG 10 HH21 ARG 10 -2.159 16.960 -6.805
83 HH22 ARG 10 HH22 ARG 10 -1.335 16.543 -8.294
84 H ASN 11 H ASN 11 -2.081 13.271 -0.890
85 HA ASN 11 HA ASN 11 -4.657 14.385 -0.918
86 HB2 ASN 11 HB2 ASN 11 -3.396 11.931 0.217
87 HB3 ASN 11 HB3 ASN 11 -4.999 12.380 0.844
88 HD21 ASN 11 HD22 ASN 11 -3.709 10.282 -1.144
89 HD22 ASN 11 HD21 ASN 11 -4.869 10.265 -2.457
90 H ARG 12 H ARG 12 -2.371 14.106 1.803
91 HA ARG 12 HA ARG 12 -4.071 14.890 3.895
92 HB2 ARG 12 HB2 ARG 12 -1.517 14.234 3.768
93 HB3 ARG 12 HB3 ARG 12 -1.303 16.000 3.723
94 HG2 ARG 12 HG2 ARG 12 -2.043 16.291 5.877
95 HG3 ARG 12 HG3 ARG 12 -3.091 14.853 5.825
96 HD2 ARG 12 HD2 ARG 12 -0.805 13.556 5.667
97 HD3 ARG 12 HD3 ARG 12 -0.135 15.050 6.364
98 HE ARG 12 HE ARG 12 -2.439 14.033 7.811
99 HH11 ARG 12 HH11 ARG 12 1.041 13.821 7.380
100 HH12 ARG 12 HH12 ARG 12 1.327 13.211 8.998
101 HH21 ARG 12 HH21 ARG 12 -2.060 13.241 9.906
102 HH22 ARG 12 HH22 ARG 12 -0.425 12.883 10.425
103 H ARG 13 H ARG 13 -2.394 16.917 1.494
104 HA ARG 13 HA ARG 13 -3.148 19.418 2.709
105 HB2 ARG 13 HB2 ARG 13 -2.610 18.915 -0.214
106 HB3 ARG 13 HB3 ARG 13 -2.390 20.421 0.709
107 HG2 ARG 13 HG2 ARG 13 -0.557 19.401 1.968
108 HG3 ARG 13 HG3 ARG 13 -0.794 17.868 1.095
109 HD2 ARG 13 HD2 ARG 13 0.039 20.528 -0.120
110 HD3 ARG 13 HD3 ARG 13 1.086 19.112 0.137
111 HE ARG 13 HE ARG 13 -1.153 18.353 -1.448
112 HH11 ARG 13 HH11 ARG 13 1.791 20.265 -1.594
113 HH12 ARG 13 HH12 ARG 13 1.992 20.045 -3.321
114 HH21 ARG 13 HH21 ARG 13 -0.883 18.070 -3.685
115 HH22 ARG 13 HH22 ARG 13 0.481 18.805 -4.503
116 H ARG 14 H ARG 14 -4.606 17.409 0.136
117 HA ARG 14 HA ARG 14 -6.669 19.203 -0.599
118 HB2 ARG 14 HB2 ARG 14 -6.329 16.224 -0.638
119 HB3 ARG 14 HB3 ARG 14 -7.904 16.947 -1.044
120 HG2 ARG 14 HG2 ARG 14 -6.531 18.420 -2.691
121 HG3 ARG 14 HG3 ARG 14 -5.266 17.185 -2.487
122 HD2 ARG 14 HD2 ARG 14 -8.057 16.279 -3.102
123 HD3 ARG 14 HD3 ARG 14 -7.096 17.000 -4.415
124 HE ARG 14 HE ARG 14 -6.747 14.388 -3.215
125 HH11 ARG 14 HH11 ARG 14 -5.123 17.049 -4.836
126 HH12 ARG 14 HH12 ARG 14 -3.837 16.039 -5.467
127 HH21 ARG 14 HH21 ARG 14 -5.077 13.087 -4.036
128 HH22 ARG 14 HH22 ARG 14 -3.811 13.801 -5.016
129 H ARG 15 H ARG 15 -6.753 16.556 1.830
130 HA ARG 15 HA ARG 15 -9.414 17.093 2.706
131 HB2 ARG 15 HB2 ARG 15 -7.021 15.675 3.795
132 HB3 ARG 15 HB3 ARG 15 -8.374 16.038 4.892
133 HG2 ARG 15 HG2 ARG 15 -8.735 13.832 4.064
134 HG3 ARG 15 HG3 ARG 15 -9.895 14.896 3.233
135 HD2 ARG 15 HD2 ARG 15 -7.214 14.306 1.988
136 HD3 ARG 15 HD3 ARG 15 -8.541 13.127 1.852
137 HE ARG 15 HE ARG 15 -8.278 15.640 0.444
138 HH11 ARG 15 HH11 ARG 15 -10.554 13.306 1.750
139 HH12 ARG 15 HH12 ARG 15 -11.829 13.738 0.627
140 HH21 ARG 15 HH21 ARG 15 -9.934 16.197 -1.007
141 HH22 ARG 15 HH22 ARG 15 -11.479 15.371 -0.931
142 H TRP 16 H TRP 16 -6.306 18.531 3.577
143 HA TRP 16 HA TRP 16 -7.048 19.825 5.970
144 HB2 TRP 16 HB2 TRP 16 -4.745 19.709 4.685
145 HB3 TRP 16 HB3 TRP 16 -5.311 21.218 3.930
146 HD1 TRP 16 HD1 TRP 16 -5.747 20.152 7.512
147 HE1 TRP 16 HE1 TRP 16 -4.577 21.997 9.107
148 HE3 TRP 16 HE3 TRP 16 -3.725 23.090 3.888
149 HZ2 TRP 16 HZ2 TRP 16 -3.069 24.273 8.706
150 HZ3 TRP 16 HZ3 TRP 16 -2.456 25.047 4.485
151 HH2 TRP 16 HH2 TRP 16 -2.092 25.685 6.864
152 H ARG 17 H ARG 17 -7.498 20.896 2.588
153 HA ARG 17 HA ARG 17 -8.528 23.465 3.133
154 HB2 ARG 17 HB2 ARG 17 -8.100 21.914 0.913
155 HB3 ARG 17 HB3 ARG 17 -9.877 21.993 0.982
156 HG2 ARG 17 HG2 ARG 17 -8.079 24.430 1.096
157 HG3 ARG 17 HG3 ARG 17 -8.759 23.781 -0.416
158 HD2 ARG 17 HD2 ARG 17 -10.847 24.041 1.562
159 HD3 ARG 17 HD3 ARG 17 -9.973 25.583 1.407
160 HE ARG 17 HE ARG 17 -11.774 24.404 -0.509
161 HH11 ARG 17 HH11 ARG 17 -8.889 26.378 -0.163
162 HH12 ARG 17 HH12 ARG 17 -9.135 27.218 -1.682
163 HH21 ARG 17 HH21 ARG 17 -12.086 25.495 -2.474
164 HH22 ARG 17 HH22 ARG 17 -10.942 26.719 -2.988
165 H GLU 18 H GLU 18 -10.438 20.473 2.537
166 HA GLU 18 HA GLU 18 -12.947 21.599 3.200
167 HB2 GLU 18 HB2 GLU 18 -11.880 18.783 3.454
168 HB3 GLU 18 HB3 GLU 18 -13.582 19.228 3.720
169 HG2 GLU 18 HG2 GLU 18 -13.836 19.926 1.450
170 HG3 GLU 18 HG3 GLU 18 -12.088 19.784 1.150
171 H ARG 19 H ARG 19 -10.441 20.186 5.284
172 HA ARG 19 HA ARG 19 -11.964 20.039 7.673
173 HB2 ARG 19 HB2 ARG 19 -9.550 19.246 7.065
174 HB3 ARG 19 HB3 ARG 19 -9.080 20.860 7.648
175 HG2 ARG 19 HG2 ARG 19 -10.567 20.174 9.726
176 HG3 ARG 19 HG3 ARG 19 -10.209 18.527 9.156
177 HD2 ARG 19 HD2 ARG 19 -7.737 19.327 9.095
178 HD3 ARG 19 HD3 ARG 19 -8.303 20.656 10.135
179 HE ARG 19 HE ARG 19 -7.851 17.913 10.903
180 HH11 ARG 19 HH11 ARG 19 -9.821 20.756 11.519
181 HH12 ARG 19 HH12 ARG 19 -10.170 20.305 13.177
182 HH21 ARG 19 HH21 ARG 19 -8.308 17.333 13.052
183 HH22 ARG 19 HH22 ARG 19 -9.315 18.371 14.043
184 H GLN 20 H GLN 20 -10.470 22.784 6.044
185 HA GLN 20 HA GLN 20 -10.917 24.546 8.364
186 HB2 GLN 20 HB2 GLN 20 -9.055 24.570 6.467
187 HB3 GLN 20 HB3 GLN 20 -10.281 25.554 5.633
188 HG2 GLN 20 HG2 GLN 20 -10.185 27.260 7.234
189 HG3 GLN 20 HG3 GLN 20 -9.449 26.199 8.459
190 HE21 GLN 20 HE22 GLN 20 -7.215 25.399 7.971
191 HE22 GLN 20 HE21 GLN 20 -6.117 26.513 7.179
192 H ARG 21 H ARG 21 -12.540 23.625 5.398
193 HA ARG 21 HA ARG 21 -14.224 25.826 4.983
194 HB2 ARG 21 HB2 ARG 21 -13.960 23.454 3.822
195 HB3 ARG 21 HB3 ARG 21 -15.366 23.075 4.845
196 HG2 ARG 21 HG2 ARG 21 -16.133 23.776 2.655
197 HG3 ARG 21 HG3 ARG 21 -16.565 25.011 3.861
198 HD2 ARG 21 HD2 ARG 21 -15.011 26.536 3.059
199 HD3 ARG 21 HD3 ARG 21 -13.969 25.269 2.368
200 HE ARG 21 HE ARG 21 -16.287 25.125 0.881
201 HH11 ARG 21 HH11 ARG 21 -13.992 27.655 1.704
202 HH12 ARG 21 HH12 ARG 21 -14.237 28.533 0.207
203 HH21 ARG 21 HH21 ARG 21 -16.597 26.267 -1.058
204 HH22 ARG 21 HH22 ARG 21 -15.709 27.748 -1.354
205 H ALA 22 H ALA 22 -14.352 23.379 7.518
206 HA ALA 22 HA ALA 22 -17.013 24.002 8.391
207 HB1 ALA 22 HB1 ALA 22 -14.675 22.818 9.928
208 HB2 ALA 22 HB2 ALA 22 -16.383 22.780 10.427
209 HB3 ALA 22 HB3 ALA 22 -15.862 21.903 8.969
210 H ALA 23 H ALA 23 -13.811 25.307 9.205
211 HA ALA 23 HA ALA 23 -14.951 27.026 11.286
212 HB1 ALA 23 HB1 ALA 23 -12.171 26.937 10.061
213 HB2 ALA 23 HB2 ALA 23 -12.650 27.858 11.507
214 HB3 ALA 23 HB3 ALA 23 -12.690 26.079 11.531
215 H ALA 24 H ALA 24 -13.288 27.580 8.143
216 HA ALA 24 HA ALA 24 -13.816 30.369 8.084
217 HB1 ALA 24 HB1 ALA 24 -13.430 28.436 5.773
218 HB2 ALA 24 HB2 ALA 24 -13.284 30.207 5.693
219 HB3 ALA 24 HB3 ALA 24 -12.133 29.263 6.668
220 H ALA 25 H ALA 25 -15.704 27.596 6.884
221 HA ALA 25 HA ALA 25 -17.900 29.520 6.254
222 HB1 ALA 25 HB1 ALA 25 -17.405 26.716 5.191
223 HB2 ALA 25 HB2 ALA 25 -18.757 27.782 4.743
224 HB3 ALA 25 HB3 ALA 25 -17.090 28.233 4.316
225 H ARG 26 H ARG 26 -19.522 29.599 7.624
226 HA ARG 26 HA ARG 26 -19.852 27.527 9.661
227 HB2 ARG 26 HB2 ARG 26 -21.269 30.093 8.962
228 HB3 ARG 26 HB3 ARG 26 -21.888 28.976 10.202
229 HG2 ARG 26 HG2 ARG 26 -19.889 29.239 11.524
230 HG3 ARG 26 HG3 ARG 26 -19.110 30.191 10.238
231 HD2 ARG 26 HD2 ARG 26 -20.510 32.051 10.602
232 HD3 ARG 26 HD3 ARG 26 -21.707 31.086 11.499
233 HE ARG 26 HE ARG 26 -19.367 30.940 12.995
234 HH11 ARG 26 HH11 ARG 26 -21.493 33.466 11.794
235 HH12 ARG 26 HH12 ARG 26 -21.165 34.547 13.135
236 HH21 ARG 26 HH21 ARG 26 -18.949 32.345 14.729
237 HH22 ARG 26 HH22 ARG 26 -19.728 33.914 14.793
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 2.509 0.866 0.875
2 H2 GLY 1 H2 GLY 1 2.676 -0.748 0.620
3 H3 GLY 1 H3 GLY 1 1.359 0.173 -0.070
4 HA2 GLY 1 HA2 GLY 1 3.770 -0.513 -1.116
5 HA3 GLY 1 HA3 GLY 1 2.430 0.424 -1.819
6 H ALA 2 H ALA 2 5.591 0.594 -1.519
7 HA ALA 2 HA ALA 2 6.253 2.950 -0.172
8 HB1 ALA 2 HB1 ALA 2 7.377 1.933 -2.805
9 HB2 ALA 2 HB2 ALA 2 8.160 3.099 -1.712
10 HB3 ALA 2 HB3 ALA 2 7.897 1.421 -1.182
11 H MET 3 H MET 3 5.067 2.602 -3.535
12 HA MET 3 HA MET 3 5.071 5.487 -3.962
13 HB2 MET 3 HB2 MET 3 5.357 3.703 -5.723
14 HB3 MET 3 HB3 MET 3 3.626 3.341 -5.522
15 HG2 MET 3 HG2 MET 3 3.754 4.777 -7.391
16 HG3 MET 3 HG3 MET 3 3.191 5.789 -6.040
17 HE1 MET 3 HE1 MET 3 4.345 7.011 -8.756
18 HE2 MET 3 HE2 MET 3 6.105 7.270 -8.819
19 HE3 MET 3 HE3 MET 3 5.440 5.628 -8.989
20 H ALA 4 H ALA 4 2.690 3.042 -2.996
21 HA ALA 4 HA ALA 4 0.345 4.527 -3.321
22 HB1 ALA 4 HB1 ALA 4 1.050 2.632 -1.052
23 HB2 ALA 4 HB2 ALA 4 -0.590 3.129 -1.530
24 HB3 ALA 4 HB3 ALA 4 0.405 2.159 -2.642
25 H THR 5 H THR 5 2.847 4.841 -0.854
26 HA THR 5 HA THR 5 1.402 6.417 1.028
27 HB THR 5 HB THR 5 4.293 6.989 0.409
28 HG1 THR 5 HG1 THR 5 4.830 5.055 1.561
29 HG21 THR 5 HG21 THR 5 2.728 6.536 2.984
30 HG22 THR 5 HG22 THR 5 4.439 7.014 2.877
31 HG23 THR 5 HG23 THR 5 3.169 8.119 2.300
32 H ARG 6 H ARG 6 3.096 7.356 -1.956
33 HA ARG 6 HA ARG 6 3.009 10.146 -1.635
34 HB2 ARG 6 HB2 ARG 6 3.907 8.543 -3.541
35 HB3 ARG 6 HB3 ARG 6 2.335 8.935 -4.279
36 HG2 ARG 6 HG2 ARG 6 2.882 11.142 -4.618
37 HG3 ARG 6 HG3 ARG 6 4.012 11.184 -3.244
38 HD2 ARG 6 HD2 ARG 6 5.528 11.220 -4.974
39 HD3 ARG 6 HD3 ARG 6 5.356 9.460 -4.772
40 HE ARG 6 HE ARG 6 3.424 10.063 -6.610
41 HH11 ARG 6 HH11 ARG 6 6.858 10.758 -6.358
42 HH12 ARG 6 HH12 ARG 6 7.106 10.775 -8.093
43 HH21 ARG 6 HH21 ARG 6 3.754 10.083 -8.857
44 HH22 ARG 6 HH22 ARG 6 5.352 10.394 -9.505
45 H GLN 7 H GLN 7 0.569 8.168 -3.396
46 HA GLN 7 HA GLN 7 -1.304 10.261 -3.720
47 HB2 GLN 7 HB2 GLN 7 -1.246 7.940 -4.773
48 HB3 GLN 7 HB3 GLN 7 -2.006 7.363 -3.271
49 HG2 GLN 7 HG2 GLN 7 -3.727 7.735 -4.938
50 HG3 GLN 7 HG3 GLN 7 -3.879 8.957 -3.653
51 HE21 GLN 7 HE22 GLN 7 -5.066 10.318 -5.067
52 HE22 GLN 7 HE21 GLN 7 -4.257 11.234 -6.325
53 H ALA 8 H ALA 8 -0.575 8.274 -0.920
54 HA ALA 8 HA ALA 8 -2.989 8.759 0.514
55 HB1 ALA 8 HB1 ALA 8 -0.179 8.268 1.561
56 HB2 ALA 8 HB2 ALA 8 -1.687 8.110 2.493
57 HB3 ALA 8 HB3 ALA 8 -1.364 7.013 1.130
58 H ARG 9 H ARG 9 -0.014 10.652 0.157
59 HA ARG 9 HA ARG 9 -0.781 12.582 2.206
60 HB2 ARG 9 HB2 ARG 9 1.385 12.284 0.170
61 HB3 ARG 9 HB3 ARG 9 1.060 13.897 0.847
62 HG2 ARG 9 HG2 ARG 9 2.691 13.123 2.290
63 HG3 ARG 9 HG3 ARG 9 1.204 12.651 3.147
64 HD2 ARG 9 HD2 ARG 9 2.690 10.765 3.208
65 HD3 ARG 9 HD3 ARG 9 1.400 10.386 2.042
66 HE ARG 9 HE ARG 9 2.988 10.254 0.389
67 HH11 ARG 9 HH11 ARG 9 4.277 12.088 3.094
68 HH12 ARG 9 HH12 ARG 9 5.884 12.207 2.406
69 HH21 ARG 9 HH21 ARG 9 5.073 10.411 -0.497
70 HH22 ARG 9 HH22 ARG 9 6.334 11.259 0.376
71 H ARG 10 H ARG 10 -1.238 12.230 -1.270
72 HA ARG 10 HA ARG 10 -1.882 14.892 -1.941
73 HB2 ARG 10 HB2 ARG 10 -2.834 12.214 -2.935
74 HB3 ARG 10 HB3 ARG 10 -3.462 13.738 -3.608
75 HG2 ARG 10 HG2 ARG 10 -0.922 14.322 -3.901
76 HG3 ARG 10 HG3 ARG 10 -0.701 12.560 -3.784
77 HD2 ARG 10 HD2 ARG 10 -2.387 12.296 -5.628
78 HD3 ARG 10 HD3 ARG 10 -2.401 14.067 -5.802
79 HE ARG 10 HE ARG 10 -0.353 12.216 -6.721
80 HH11 ARG 10 HH11 ARG 10 -1.076 15.517 -5.758
81 HH12 ARG 10 HH12 ARG 10 0.255 16.203 -6.669
82 HH21 ARG 10 HH21 ARG 10 1.370 13.112 -7.898
83 HH22 ARG 10 HH22 ARG 10 1.637 14.845 -7.878
84 H ASN 11 H ASN 11 -4.205 12.291 -1.044
85 HA ASN 11 HA ASN 11 -6.417 14.110 -0.814
86 HB2 ASN 11 HB2 ASN 11 -7.439 12.171 0.474
87 HB3 ASN 11 HB3 ASN 11 -6.908 11.815 -1.187
88 HD21 ASN 11 HD22 ASN 11 -5.683 10.070 -1.494
89 HD22 ASN 11 HD21 ASN 11 -4.785 9.228 -0.247
90 H ARG 12 H ARG 12 -4.044 12.860 1.520
91 HA ARG 12 HA ARG 12 -5.298 13.769 3.890
92 HB2 ARG 12 HB2 ARG 12 -2.472 13.258 3.034
93 HB3 ARG 12 HB3 ARG 12 -2.790 14.046 4.597
94 HG2 ARG 12 HG2 ARG 12 -3.986 12.161 5.415
95 HG3 ARG 12 HG3 ARG 12 -4.076 11.426 3.797
96 HD2 ARG 12 HD2 ARG 12 -2.379 10.202 4.877
97 HD3 ARG 12 HD3 ARG 12 -1.493 11.387 3.888
98 HE ARG 12 HE ARG 12 -2.011 12.311 6.591
99 HH11 ARG 12 HH11 ARG 12 0.113 10.406 4.541
100 HH12 ARG 12 HH12 ARG 12 1.497 10.587 5.600
101 HH21 ARG 12 HH21 ARG 12 -0.212 12.541 7.957
102 HH22 ARG 12 HH22 ARG 12 1.314 11.793 7.530
103 H ARG 13 H ARG 13 -3.244 15.501 1.555
104 HA ARG 13 HA ARG 13 -3.092 17.914 3.148
105 HB2 ARG 13 HB2 ARG 13 -2.646 17.319 0.220
106 HB3 ARG 13 HB3 ARG 13 -2.398 18.921 0.953
107 HG2 ARG 13 HG2 ARG 13 -0.533 18.241 2.145
108 HG3 ARG 13 HG3 ARG 13 -1.026 16.531 2.141
109 HD2 ARG 13 HD2 ARG 13 0.945 17.021 0.667
110 HD3 ARG 13 HD3 ARG 13 -0.439 16.302 -0.191
111 HE ARG 13 HE ARG 13 -0.646 18.232 -1.436
112 HH11 ARG 13 HH11 ARG 13 1.382 18.834 1.369
113 HH12 ARG 13 HH12 ARG 13 1.852 20.437 0.836
114 HH21 ARG 13 HH21 ARG 13 -0.033 20.309 -2.120
115 HH22 ARG 13 HH22 ARG 13 1.053 21.270 -1.135
116 H ARG 14 H ARG 14 -5.413 16.604 0.862
117 HA ARG 14 HA ARG 14 -6.763 19.129 0.380
118 HB2 ARG 14 HB2 ARG 14 -6.783 17.027 -1.058
119 HB3 ARG 14 HB3 ARG 14 -7.915 16.352 0.138
120 HG2 ARG 14 HG2 ARG 14 -9.622 17.792 -0.455
121 HG3 ARG 14 HG3 ARG 14 -8.504 19.031 -1.073
122 HD2 ARG 14 HD2 ARG 14 -7.935 17.153 -2.855
123 HD3 ARG 14 HD3 ARG 14 -9.548 16.550 -2.408
124 HE ARG 14 HE ARG 14 -9.824 19.293 -2.914
125 HH11 ARG 14 HH11 ARG 14 -8.880 16.382 -4.642
126 HH12 ARG 14 HH12 ARG 14 -9.449 16.971 -6.192
127 HH21 ARG 14 HH21 ARG 14 -10.559 20.048 -4.927
128 HH22 ARG 14 HH22 ARG 14 -10.397 19.042 -6.353
129 H ARG 15 H ARG 15 -7.078 16.511 2.746
130 HA ARG 15 HA ARG 15 -9.622 17.196 3.790
131 HB2 ARG 15 HB2 ARG 15 -7.148 15.964 4.990
132 HB3 ARG 15 HB3 ARG 15 -8.626 16.236 5.942
133 HG2 ARG 15 HG2 ARG 15 -9.835 14.918 4.093
134 HG3 ARG 15 HG3 ARG 15 -8.212 14.410 3.570
135 HD2 ARG 15 HD2 ARG 15 -7.795 13.255 5.584
136 HD3 ARG 15 HD3 ARG 15 -9.113 14.092 6.439
137 HE ARG 15 HE ARG 15 -10.601 12.522 5.642
138 HH11 ARG 15 HH11 ARG 15 -7.609 12.362 3.810
139 HH12 ARG 15 HH12 ARG 15 -8.070 10.905 2.951
140 HH21 ARG 15 HH21 ARG 15 -11.192 10.634 4.525
141 HH22 ARG 15 HH22 ARG 15 -10.094 9.928 3.355
142 H TRP 16 H TRP 16 -6.373 18.313 4.835
143 HA TRP 16 HA TRP 16 -7.191 19.994 6.927
144 HB2 TRP 16 HB2 TRP 16 -4.822 19.506 6.432
145 HB3 TRP 16 HB3 TRP 16 -4.933 20.443 4.923
146 HD1 TRP 16 HD1 TRP 16 -6.412 21.565 8.166
147 HE1 TRP 16 HE1 TRP 16 -5.161 23.825 8.966
148 HE3 TRP 16 HE3 TRP 16 -2.779 21.698 4.611
149 HZ2 TRP 16 HZ2 TRP 16 -2.987 25.283 8.096
150 HZ3 TRP 16 HZ3 TRP 16 -1.163 23.484 4.600
151 HH2 TRP 16 HH2 TRP 16 -1.212 25.293 6.308
152 H ARG 17 H ARG 17 -7.401 20.516 3.443
153 HA ARG 17 HA ARG 17 -8.108 23.343 3.755
154 HB2 ARG 17 HB2 ARG 17 -6.936 22.176 1.774
155 HB3 ARG 17 HB3 ARG 17 -8.570 21.630 1.325
156 HG2 ARG 17 HG2 ARG 17 -8.036 24.544 1.851
157 HG3 ARG 17 HG3 ARG 17 -7.589 23.827 0.285
158 HD2 ARG 17 HD2 ARG 17 -10.014 22.909 0.253
159 HD3 ARG 17 HD3 ARG 17 -10.329 24.106 1.532
160 HE ARG 17 HE ARG 17 -9.029 25.310 -0.734
161 HH11 ARG 17 HH11 ARG 17 -12.110 24.101 0.446
162 HH12 ARG 17 HH12 ARG 17 -13.057 25.157 -0.583
163 HH21 ARG 17 HH21 ARG 17 -10.263 26.675 -2.066
164 HH22 ARG 17 HH22 ARG 17 -12.014 26.611 -2.003
165 H GLU 18 H GLU 18 -9.866 20.397 2.667
166 HA GLU 18 HA GLU 18 -12.411 21.596 2.465
167 HB2 GLU 18 HB2 GLU 18 -11.731 18.785 3.354
168 HB3 GLU 18 HB3 GLU 18 -13.301 19.348 2.732
169 HG2 GLU 18 HG2 GLU 18 -10.785 19.611 1.101
170 HG3 GLU 18 HG3 GLU 18 -11.691 18.080 1.142
171 H ARG 19 H ARG 19 -10.642 20.491 5.310
172 HA ARG 19 HA ARG 19 -12.949 20.658 7.078
173 HB2 ARG 19 HB2 ARG 19 -9.967 20.448 7.476
174 HB3 ARG 19 HB3 ARG 19 -11.103 20.634 8.834
175 HG2 ARG 19 HG2 ARG 19 -12.226 18.562 8.218
176 HG3 ARG 19 HG3 ARG 19 -11.174 18.390 6.793
177 HD2 ARG 19 HD2 ARG 19 -9.236 18.046 8.162
178 HD3 ARG 19 HD3 ARG 19 -10.120 18.508 9.636
179 HE ARG 19 HE ARG 19 -11.423 16.283 8.465
180 HH11 ARG 19 HH11 ARG 19 -8.408 17.129 10.055
181 HH12 ARG 19 HH12 ARG 19 -8.162 15.523 10.714
182 HH21 ARG 19 HH21 ARG 19 -11.101 14.204 9.324
183 HH22 ARG 19 HH22 ARG 19 -9.684 13.870 10.301
184 H GLN 20 H GLN 20 -10.527 22.894 5.884
185 HA GLN 20 HA GLN 20 -10.705 24.879 7.904
186 HB2 GLN 20 HB2 GLN 20 -9.275 24.586 5.658
187 HB3 GLN 20 HB3 GLN 20 -10.516 25.712 5.060
188 HG2 GLN 20 HG2 GLN 20 -9.129 27.318 5.841
189 HG3 GLN 20 HG3 GLN 20 -9.817 26.892 7.426
190 HE21 GLN 20 HE22 GLN 20 -8.673 24.887 8.455
191 HE22 GLN 20 HE21 GLN 20 -6.921 24.956 8.436
192 H ARG 21 H ARG 21 -12.950 23.976 5.372
193 HA ARG 21 HA ARG 21 -14.459 26.320 5.100
194 HB2 ARG 21 HB2 ARG 21 -14.850 23.448 4.743
195 HB3 ARG 21 HB3 ARG 21 -16.343 24.300 5.205
196 HG2 ARG 21 HG2 ARG 21 -14.665 25.495 3.043
197 HG3 ARG 21 HG3 ARG 21 -15.580 24.019 2.656
198 HD2 ARG 21 HD2 ARG 21 -17.631 25.183 3.599
199 HD3 ARG 21 HD3 ARG 21 -16.662 26.675 3.646
200 HE ARG 21 HE ARG 21 -16.547 25.501 1.042
201 HH11 ARG 21 HH11 ARG 21 -18.680 27.258 3.211
202 HH12 ARG 21 HH12 ARG 21 -19.594 27.996 1.910
203 HH21 ARG 21 HH21 ARG 21 -17.736 26.463 -0.639
204 HH22 ARG 21 HH22 ARG 21 -19.061 27.547 -0.264
205 H ALA 22 H ALA 22 -14.435 23.984 7.766
206 HA ALA 22 HA ALA 22 -16.764 24.850 9.090
207 HB1 ALA 22 HB1 ALA 22 -14.156 23.862 10.297
208 HB2 ALA 22 HB2 ALA 22 -15.737 23.908 11.113
209 HB3 ALA 22 HB3 ALA 22 -15.489 22.837 9.713
210 H ALA 23 H ALA 23 -13.423 26.108 9.316
211 HA ALA 23 HA ALA 23 -14.293 28.196 11.179
212 HB1 ALA 23 HB1 ALA 23 -11.632 27.736 9.787
213 HB2 ALA 23 HB2 ALA 23 -11.940 28.898 11.099
214 HB3 ALA 23 HB3 ALA 23 -12.075 27.150 11.407
215 H ALA 24 H ALA 24 -12.892 28.134 7.866
216 HA ALA 24 HA ALA 24 -13.084 30.858 7.323
217 HB1 ALA 24 HB1 ALA 24 -13.590 28.552 5.410
218 HB2 ALA 24 HB2 ALA 24 -13.172 30.220 4.952
219 HB3 ALA 24 HB3 ALA 24 -11.997 29.220 5.839
220 H ALA 25 H ALA 25 -15.627 28.371 6.935
221 HA ALA 25 HA ALA 25 -17.556 30.576 6.405
222 HB1 ALA 25 HB1 ALA 25 -17.820 27.576 5.994
223 HB2 ALA 25 HB2 ALA 25 -19.036 28.803 5.566
224 HB3 ALA 25 HB3 ALA 25 -17.466 28.774 4.727
225 H ARG 26 H ARG 26 -18.925 31.223 7.902
226 HA ARG 26 HA ARG 26 -19.413 29.395 10.228
227 HB2 ARG 26 HB2 ARG 26 -19.002 32.352 9.981
228 HB3 ARG 26 HB3 ARG 26 -20.039 31.710 11.277
229 HG2 ARG 26 HG2 ARG 26 -18.214 30.407 12.171
230 HG3 ARG 26 HG3 ARG 26 -17.172 30.845 10.796
231 HD2 ARG 26 HD2 ARG 26 -17.498 33.280 11.532
232 HD3 ARG 26 HD3 ARG 26 -18.169 32.618 13.041
233 HE ARG 26 HE ARG 26 -15.595 31.476 12.407
234 HH11 ARG 26 HH11 ARG 26 -17.215 34.288 13.753
235 HH12 ARG 26 HH12 ARG 26 -15.853 34.743 14.759
236 HH21 ARG 26 HH21 ARG 26 -13.835 32.072 13.712
237 HH22 ARG 26 HH22 ARG 26 -13.943 33.491 14.736
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 3.706 0.930 1.005
2 H2 GLY 1 H2 GLY 1 4.036 -0.598 0.503
3 H3 GLY 1 H3 GLY 1 2.418 -0.085 0.927
4 HA2 GLY 1 HA2 GLY 1 3.661 -0.187 -1.487
5 HA3 GLY 1 HA3 GLY 1 2.015 0.335 -1.055
6 H ALA 2 H ALA 2 5.068 1.296 -2.220
7 HA ALA 2 HA ALA 2 5.251 3.969 -1.372
8 HB1 ALA 2 HB1 ALA 2 5.976 2.798 -4.081
9 HB2 ALA 2 HB2 ALA 2 6.571 4.335 -3.411
10 HB3 ALA 2 HB3 ALA 2 7.011 2.796 -2.634
11 H MET 3 H MET 3 3.126 2.500 -3.769
12 HA MET 3 HA MET 3 2.284 5.023 -4.936
13 HB2 MET 3 HB2 MET 3 1.158 2.222 -4.937
14 HB3 MET 3 HB3 MET 3 0.383 3.587 -5.776
15 HG2 MET 3 HG2 MET 3 3.270 3.000 -6.314
16 HG3 MET 3 HG3 MET 3 2.033 1.944 -7.037
17 HE1 MET 3 HE1 MET 3 1.537 2.323 -9.428
18 HE2 MET 3 HE2 MET 3 2.119 3.758 -10.305
19 HE3 MET 3 HE3 MET 3 3.264 2.751 -9.387
20 H ALA 4 H ALA 4 0.868 2.797 -2.508
21 HA ALA 4 HA ALA 4 -1.480 4.314 -2.064
22 HB1 ALA 4 HB1 ALA 4 0.054 2.548 -0.124
23 HB2 ALA 4 HB2 ALA 4 -1.637 3.074 0.051
24 HB3 ALA 4 HB3 ALA 4 -1.175 1.996 -1.288
25 H THR 5 H THR 5 1.805 4.739 -0.884
26 HA THR 5 HA THR 5 1.032 6.677 1.175
27 HB THR 5 HB THR 5 3.752 6.076 -0.055
28 HG1 THR 5 HG1 THR 5 4.008 4.805 1.862
29 HG21 THR 5 HG21 THR 5 2.964 7.466 2.538
30 HG22 THR 5 HG22 THR 5 4.627 7.109 2.013
31 HG23 THR 5 HG23 THR 5 3.632 8.262 1.093
32 H ARG 6 H ARG 6 2.178 6.796 -2.177
33 HA ARG 6 HA ARG 6 2.799 9.536 -2.328
34 HB2 ARG 6 HB2 ARG 6 2.836 7.526 -4.065
35 HB3 ARG 6 HB3 ARG 6 1.286 8.253 -4.551
36 HG2 ARG 6 HG2 ARG 6 2.277 10.215 -5.286
37 HG3 ARG 6 HG3 ARG 6 3.710 9.999 -4.253
38 HD2 ARG 6 HD2 ARG 6 4.635 9.456 -6.287
39 HD3 ARG 6 HD3 ARG 6 4.042 7.850 -5.799
40 HE ARG 6 HE ARG 6 1.948 9.047 -7.198
41 HH11 ARG 6 HH11 ARG 6 5.284 8.130 -7.811
42 HH12 ARG 6 HH12 ARG 6 5.016 7.831 -9.517
43 HH21 ARG 6 HH21 ARG 6 1.609 8.656 -9.410
44 HH22 ARG 6 HH22 ARG 6 2.940 8.128 -10.421
45 H GLN 7 H GLN 7 -0.353 8.049 -3.229
46 HA GLN 7 HA GLN 7 -1.729 10.510 -3.517
47 HB2 GLN 7 HB2 GLN 7 -2.392 8.100 -4.163
48 HB3 GLN 7 HB3 GLN 7 -3.009 7.988 -2.497
49 HG2 GLN 7 HG2 GLN 7 -4.914 8.639 -3.652
50 HG3 GLN 7 HG3 GLN 7 -4.266 10.205 -3.109
51 HE21 GLN 7 HE22 GLN 7 -3.622 11.714 -4.586
52 HE22 GLN 7 HE21 GLN 7 -3.737 11.486 -6.320
53 H ALA 8 H ALA 8 -0.859 8.699 -0.645
54 HA ALA 8 HA ALA 8 -2.740 9.899 1.130
55 HB1 ALA 8 HB1 ALA 8 0.051 8.838 1.691
56 HB2 ALA 8 HB2 ALA 8 -1.215 9.149 2.903
57 HB3 ALA 8 HB3 ALA 8 -1.446 7.877 1.680
58 H ARG 9 H ARG 9 0.562 10.861 0.161
59 HA ARG 9 HA ARG 9 0.947 12.997 1.933
60 HB2 ARG 9 HB2 ARG 9 1.809 12.388 -0.864
61 HB3 ARG 9 HB3 ARG 9 2.109 14.015 -0.206
62 HG2 ARG 9 HG2 ARG 9 2.969 11.475 1.201
63 HG3 ARG 9 HG3 ARG 9 4.004 12.330 0.032
64 HD2 ARG 9 HD2 ARG 9 2.835 13.541 2.565
65 HD3 ARG 9 HD3 ARG 9 4.509 12.965 2.379
66 HE ARG 9 HE ARG 9 3.413 15.478 1.470
67 HH11 ARG 9 HH11 ARG 9 5.811 12.998 0.809
68 HH12 ARG 9 HH12 ARG 9 6.887 14.092 -0.039
69 HH21 ARG 9 HH21 ARG 9 4.811 16.890 0.369
70 HH22 ARG 9 HH22 ARG 9 6.322 16.292 -0.288
71 H ARG 10 H ARG 10 -0.327 13.334 -1.417
72 HA ARG 10 HA ARG 10 -1.116 16.026 -1.168
73 HB2 ARG 10 HB2 ARG 10 -1.001 14.642 -3.253
74 HB3 ARG 10 HB3 ARG 10 -2.527 13.874 -2.754
75 HG2 ARG 10 HG2 ARG 10 -3.662 16.040 -2.827
76 HG3 ARG 10 HG3 ARG 10 -2.135 16.840 -3.270
77 HD2 ARG 10 HD2 ARG 10 -2.186 15.038 -5.234
78 HD3 ARG 10 HD3 ARG 10 -3.935 15.093 -4.912
79 HE ARG 10 HE ARG 10 -3.074 17.750 -5.114
80 HH11 ARG 10 HH11 ARG 10 -3.203 14.876 -7.129
81 HH12 ARG 10 HH12 ARG 10 -3.371 15.781 -8.621
82 HH21 ARG 10 HH21 ARG 10 -3.291 18.916 -7.051
83 HH22 ARG 10 HH22 ARG 10 -3.421 18.063 -8.577
84 H ASN 11 H ASN 11 -2.923 13.052 -0.364
85 HA ASN 11 HA ASN 11 -5.398 14.323 0.246
86 HB2 ASN 11 HB2 ASN 11 -4.065 11.748 1.073
87 HB3 ASN 11 HB3 ASN 11 -5.597 12.254 1.824
88 HD21 ASN 11 HD22 ASN 11 -4.737 10.025 -0.115
89 HD22 ASN 11 HD21 ASN 11 -5.918 10.129 -1.406
90 H ARG 12 H ARG 12 -2.463 13.833 2.181
91 HA ARG 12 HA ARG 12 -3.477 14.484 4.723
92 HB2 ARG 12 HB2 ARG 12 -1.113 13.757 3.920
93 HB3 ARG 12 HB3 ARG 12 -0.827 15.505 3.751
94 HG2 ARG 12 HG2 ARG 12 -0.015 14.947 5.899
95 HG3 ARG 12 HG3 ARG 12 -1.595 15.718 6.173
96 HD2 ARG 12 HD2 ARG 12 -2.598 13.389 6.232
97 HD3 ARG 12 HD3 ARG 12 -0.934 12.756 6.241
98 HE ARG 12 HE ARG 12 -0.988 14.563 8.325
99 HH11 ARG 12 HH11 ARG 12 -2.865 11.741 7.401
100 HH12 ARG 12 HH12 ARG 12 -3.238 11.296 9.055
101 HH21 ARG 12 HH21 ARG 12 -1.475 13.980 10.466
102 HH22 ARG 12 HH22 ARG 12 -2.452 12.561 10.787
103 H ARG 13 H ARG 13 -2.007 16.747 2.344
104 HA ARG 13 HA ARG 13 -2.824 19.063 3.897
105 HB2 ARG 13 HB2 ARG 13 -2.051 20.324 1.948
106 HB3 ARG 13 HB3 ARG 13 -0.849 19.142 2.518
107 HG2 ARG 13 HG2 ARG 13 -1.438 17.622 0.709
108 HG3 ARG 13 HG3 ARG 13 -2.722 18.728 0.167
109 HD2 ARG 13 HD2 ARG 13 0.118 19.708 0.371
110 HD3 ARG 13 HD3 ARG 13 -0.384 18.742 -1.036
111 HE ARG 13 HE ARG 13 -1.028 21.502 -0.496
112 HH11 ARG 13 HH11 ARG 13 -2.206 18.539 -1.973
113 HH12 ARG 13 HH12 ARG 13 -3.238 19.376 -3.117
114 HH21 ARG 13 HH21 ARG 13 -2.367 22.578 -1.982
115 HH22 ARG 13 HH22 ARG 13 -3.329 21.657 -3.122
116 H ARG 14 H ARG 14 -4.187 17.212 1.217
117 HA ARG 14 HA ARG 14 -6.120 19.126 0.366
118 HB2 ARG 14 HB2 ARG 14 -5.482 17.051 -0.835
119 HB3 ARG 14 HB3 ARG 14 -6.330 16.109 0.414
120 HG2 ARG 14 HG2 ARG 14 -8.442 16.910 -0.248
121 HG3 ARG 14 HG3 ARG 14 -7.737 18.259 -1.170
122 HD2 ARG 14 HD2 ARG 14 -6.994 16.821 -2.908
123 HD3 ARG 14 HD3 ARG 14 -7.254 15.364 -1.919
124 HE ARG 14 HE ARG 14 -9.684 16.878 -2.408
125 HH11 ARG 14 HH11 ARG 14 -7.478 14.448 -3.658
126 HH12 ARG 14 HH12 ARG 14 -8.692 13.692 -4.672
127 HH21 ARG 14 HH21 ARG 14 -11.252 15.893 -3.725
128 HH22 ARG 14 HH22 ARG 14 -10.823 14.508 -4.709
129 H ARG 15 H ARG 15 -6.347 16.506 2.804
130 HA ARG 15 HA ARG 15 -9.058 16.942 3.502
131 HB2 ARG 15 HB2 ARG 15 -6.696 15.967 5.115
132 HB3 ARG 15 HB3 ARG 15 -8.376 15.949 5.701
133 HG2 ARG 15 HG2 ARG 15 -7.515 14.577 3.145
134 HG3 ARG 15 HG3 ARG 15 -7.473 13.767 4.729
135 HD2 ARG 15 HD2 ARG 15 -9.984 15.128 3.747
136 HD3 ARG 15 HD3 ARG 15 -9.581 13.474 3.229
137 HE ARG 15 HE ARG 15 -9.352 13.377 5.966
138 HH11 ARG 15 HH11 ARG 15 -11.855 14.393 3.719
139 HH12 ARG 15 HH12 ARG 15 -13.168 13.957 4.795
140 HH21 ARG 15 HH21 ARG 15 -11.060 12.816 7.356
141 HH22 ARG 15 HH22 ARG 15 -12.719 13.066 6.850
142 H TRP 16 H TRP 16 -6.135 18.684 4.417
143 HA TRP 16 HA TRP 16 -7.198 20.085 6.662
144 HB2 TRP 16 HB2 TRP 16 -4.752 19.959 5.863
145 HB3 TRP 16 HB3 TRP 16 -5.186 21.228 4.692
146 HD1 TRP 16 HD1 TRP 16 -6.531 21.159 8.169
147 HE1 TRP 16 HE1 TRP 16 -5.595 23.308 9.518
148 HE3 TRP 16 HE3 TRP 16 -3.254 22.860 4.672
149 HZ2 TRP 16 HZ2 TRP 16 -3.749 25.296 9.016
150 HZ3 TRP 16 HZ3 TRP 16 -1.942 24.835 5.103
151 HH2 TRP 16 HH2 TRP 16 -2.143 26.087 7.245
152 H ARG 17 H ARG 17 -7.122 20.969 3.187
153 HA ARG 17 HA ARG 17 -8.354 23.499 3.446
154 HB2 ARG 17 HB2 ARG 17 -7.318 22.192 1.411
155 HB3 ARG 17 HB3 ARG 17 -9.005 21.687 1.159
156 HG2 ARG 17 HG2 ARG 17 -8.298 24.596 1.510
157 HG3 ARG 17 HG3 ARG 17 -8.111 23.803 -0.072
158 HD2 ARG 17 HD2 ARG 17 -10.527 23.051 0.146
159 HD3 ARG 17 HD3 ARG 17 -10.651 24.126 1.559
160 HE ARG 17 HE ARG 17 -10.814 25.921 0.133
161 HH11 ARG 17 HH11 ARG 17 -9.415 23.192 -1.582
162 HH12 ARG 17 HH12 ARG 17 -9.433 24.002 -3.136
163 HH21 ARG 17 HH21 ARG 17 -10.831 26.966 -1.882
164 HH22 ARG 17 HH22 ARG 17 -10.234 26.136 -3.306
165 H GLU 18 H GLU 18 -9.890 20.306 2.857
166 HA GLU 18 HA GLU 18 -12.567 21.341 2.918
167 HB2 GLU 18 HB2 GLU 18 -11.686 18.555 3.672
168 HB3 GLU 18 HB3 GLU 18 -13.259 19.076 3.022
169 HG2 GLU 18 HG2 GLU 18 -11.795 19.877 0.989
170 HG3 GLU 18 HG3 GLU 18 -10.635 18.686 1.624
171 H ARG 19 H ARG 19 -10.397 20.090 5.437
172 HA ARG 19 HA ARG 19 -12.367 19.960 7.512
173 HB2 ARG 19 HB2 ARG 19 -10.163 18.874 7.601
174 HB3 ARG 19 HB3 ARG 19 -9.390 20.475 7.674
175 HG2 ARG 19 HG2 ARG 19 -9.419 19.797 9.909
176 HG3 ARG 19 HG3 ARG 19 -10.850 20.848 9.777
177 HD2 ARG 19 HD2 ARG 19 -12.212 18.746 9.357
178 HD3 ARG 19 HD3 ARG 19 -10.764 17.815 9.808
179 HE ARG 19 HE ARG 19 -11.153 18.316 12.026
180 HH11 ARG 19 HH11 ARG 19 -13.050 20.443 9.970
181 HH12 ARG 19 HH12 ARG 19 -13.958 21.123 11.306
182 HH21 ARG 19 HH21 ARG 19 -12.336 19.202 13.751
183 HH22 ARG 19 HH22 ARG 19 -13.555 20.423 13.441
184 H GLN 20 H GLN 20 -10.134 22.565 6.496
185 HA GLN 20 HA GLN 20 -11.014 24.381 8.571
186 HB2 GLN 20 HB2 GLN 20 -8.879 24.293 6.968
187 HB3 GLN 20 HB3 GLN 20 -9.905 25.373 5.994
188 HG2 GLN 20 HG2 GLN 20 -8.582 26.801 7.351
189 HG3 GLN 20 HG3 GLN 20 -10.195 26.775 8.102
190 HE21 GLN 20 HE22 GLN 20 -6.931 25.331 8.269
191 HE22 GLN 20 HE21 GLN 20 -6.963 25.032 9.996
192 H ARG 21 H ARG 21 -12.195 23.537 5.385
193 HA ARG 21 HA ARG 21 -13.664 25.824 4.709
194 HB2 ARG 21 HB2 ARG 21 -13.355 23.501 3.547
195 HB3 ARG 21 HB3 ARG 21 -14.852 23.089 4.416
196 HG2 ARG 21 HG2 ARG 21 -14.775 25.627 2.832
197 HG3 ARG 21 HG3 ARG 21 -14.890 24.087 1.948
198 HD2 ARG 21 HD2 ARG 21 -16.805 23.562 3.664
199 HD3 ARG 21 HD3 ARG 21 -16.834 25.327 3.888
200 HE ARG 21 HE ARG 21 -16.945 24.491 1.102
201 HH11 ARG 21 HH11 ARG 21 -18.780 25.152 4.024
202 HH12 ARG 21 HH12 ARG 21 -20.267 25.488 3.159
203 HH21 ARG 21 HH21 ARG 21 -18.875 24.930 -0.011
204 HH22 ARG 21 HH22 ARG 21 -20.321 25.363 0.881
205 H ALA 22 H ALA 22 -14.330 23.417 7.198
206 HA ALA 22 HA ALA 22 -17.053 24.127 7.647
207 HB1 ALA 22 HB1 ALA 22 -14.991 23.031 9.591
208 HB2 ALA 22 HB2 ALA 22 -16.756 23.019 9.819
209 HB3 ALA 22 HB3 ALA 22 -16.022 22.064 8.510
210 H ALA 23 H ALA 23 -14.010 25.395 9.013
211 HA ALA 23 HA ALA 23 -15.485 27.289 10.692
212 HB1 ALA 23 HB1 ALA 23 -12.514 27.015 10.117
213 HB2 ALA 23 HB2 ALA 23 -13.248 28.045 11.369
214 HB3 ALA 23 HB3 ALA 23 -13.384 26.274 11.481
215 H ALA 24 H ALA 24 -13.208 27.539 7.921
216 HA ALA 24 HA ALA 24 -13.454 30.332 7.596
217 HB1 ALA 24 HB1 ALA 24 -12.952 28.207 5.483
218 HB2 ALA 24 HB2 ALA 24 -12.607 29.945 5.323
219 HB3 ALA 24 HB3 ALA 24 -11.715 28.967 6.511
220 H ALA 25 H ALA 25 -15.414 27.677 6.240
221 HA ALA 25 HA ALA 25 -17.301 29.758 5.228
222 HB1 ALA 25 HB1 ALA 25 -16.915 26.882 4.326
223 HB2 ALA 25 HB2 ALA 25 -18.082 28.045 3.651
224 HB3 ALA 25 HB3 ALA 25 -16.335 28.331 3.469
225 H ARG 26 H ARG 26 -19.153 30.000 6.246
226 HA ARG 26 HA ARG 26 -20.031 27.850 8.109
227 HB2 ARG 26 HB2 ARG 26 -20.807 30.753 7.775
228 HB3 ARG 26 HB3 ARG 26 -21.593 29.627 8.908
229 HG2 ARG 26 HG2 ARG 26 -20.069 30.682 10.293
230 HG3 ARG 26 HG3 ARG 26 -19.156 29.242 9.783
231 HD2 ARG 26 HD2 ARG 26 -17.807 30.465 8.304
232 HD3 ARG 26 HD3 ARG 26 -18.954 31.824 8.233
233 HE ARG 26 HE ARG 26 -16.831 31.416 10.162
234 HH11 ARG 26 HH11 ARG 26 -19.990 32.857 9.615
235 HH12 ARG 26 HH12 ARG 26 -19.775 34.087 10.845
236 HH21 ARG 26 HH21 ARG 26 -16.563 33.012 11.756
237 HH22 ARG 26 HH22 ARG 26 -17.840 34.175 12.054
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 -1.487 0.863 -1.488
2 H2 GLY 1 H2 GLY 1 -2.890 0.587 -0.681
3 H3 GLY 1 H3 GLY 1 -1.774 -0.700 -1.077
4 HA2 GLY 1 HA2 GLY 1 -2.029 0.779 1.187
5 HA3 GLY 1 HA3 GLY 1 -0.894 -0.531 0.784
6 H ALA 2 H ALA 2 1.127 -0.004 -0.239
7 HA ALA 2 HA ALA 2 2.343 2.341 0.834
8 HB1 ALA 2 HB1 ALA 2 3.290 0.518 -1.405
9 HB2 ALA 2 HB2 ALA 2 4.295 1.674 -0.499
10 HB3 ALA 2 HB3 ALA 2 3.581 0.272 0.333
11 H MET 3 H MET 3 1.164 1.565 -2.449
12 HA MET 3 HA MET 3 2.050 4.052 -3.608
13 HB2 MET 3 HB2 MET 3 0.061 1.925 -4.365
14 HB3 MET 3 HB3 MET 3 0.215 3.427 -5.307
15 HG2 MET 3 HG2 MET 3 2.504 1.529 -4.724
16 HG3 MET 3 HG3 MET 3 1.523 1.482 -6.208
17 HE1 MET 3 HE1 MET 3 4.850 2.120 -5.393
18 HE2 MET 3 HE2 MET 3 5.246 3.844 -5.582
19 HE3 MET 3 HE3 MET 3 4.301 3.297 -4.177
20 H ALA 4 H ALA 4 -0.790 3.101 -1.773
21 HA ALA 4 HA ALA 4 -2.332 5.438 -2.523
22 HB1 ALA 4 HB1 ALA 4 -2.634 3.529 -0.179
23 HB2 ALA 4 HB2 ALA 4 -3.843 4.714 -0.727
24 HB3 ALA 4 HB3 ALA 4 -3.397 3.347 -1.776
25 H THR 5 H THR 5 -0.635 4.487 0.505
26 HA THR 5 HA THR 5 -1.035 6.962 1.852
27 HB THR 5 HB THR 5 1.214 6.241 3.000
28 HG1 THR 5 HG1 THR 5 1.620 3.986 2.668
29 HG21 THR 5 HG21 THR 5 -1.249 4.451 3.090
30 HG22 THR 5 HG22 THR 5 0.011 4.551 4.343
31 HG23 THR 5 HG23 THR 5 -1.025 5.959 4.008
32 H ARG 6 H ARG 6 1.581 5.931 -0.339
33 HA ARG 6 HA ARG 6 3.279 8.149 -0.012
34 HB2 ARG 6 HB2 ARG 6 3.515 5.991 -1.424
35 HB3 ARG 6 HB3 ARG 6 2.705 6.932 -2.699
36 HG2 ARG 6 HG2 ARG 6 4.538 8.708 -2.233
37 HG3 ARG 6 HG3 ARG 6 5.402 7.379 -1.424
38 HD2 ARG 6 HD2 ARG 6 5.502 6.096 -3.436
39 HD3 ARG 6 HD3 ARG 6 4.341 7.165 -4.257
40 HE ARG 6 HE ARG 6 6.644 8.654 -3.456
41 HH11 ARG 6 HH11 ARG 6 5.571 6.239 -5.770
42 HH12 ARG 6 HH12 ARG 6 6.747 6.705 -6.984
43 HH21 ARG 6 HH21 ARG 6 8.161 9.254 -5.035
44 HH22 ARG 6 HH22 ARG 6 8.210 8.407 -6.570
45 H GLN 7 H GLN 7 0.773 7.780 -2.569
46 HA GLN 7 HA GLN 7 0.963 10.462 -3.489
47 HB2 GLN 7 HB2 GLN 7 -0.160 8.467 -4.583
48 HB3 GLN 7 HB3 GLN 7 -1.527 8.756 -3.481
49 HG2 GLN 7 HG2 GLN 7 -2.244 9.938 -5.322
50 HG3 GLN 7 HG3 GLN 7 -1.356 11.214 -4.455
51 HE21 GLN 7 HE22 GLN 7 -1.420 12.132 -6.715
52 HE22 GLN 7 HE21 GLN 7 -0.094 11.708 -7.780
53 H ALA 8 H ALA 8 -0.721 9.073 -0.735
54 HA ALA 8 HA ALA 8 -2.487 11.284 -0.291
55 HB1 ALA 8 HB1 ALA 8 -1.350 9.267 1.676
56 HB2 ALA 8 HB2 ALA 8 -2.752 10.327 1.955
57 HB3 ALA 8 HB3 ALA 8 -2.829 9.060 0.709
58 H ARG 9 H ARG 9 0.903 10.769 0.385
59 HA ARG 9 HA ARG 9 1.336 12.556 2.503
60 HB2 ARG 9 HB2 ARG 9 2.932 11.025 1.083
61 HB3 ARG 9 HB3 ARG 9 3.180 12.517 0.146
62 HG2 ARG 9 HG2 ARG 9 4.919 12.539 1.721
63 HG3 ARG 9 HG3 ARG 9 3.693 13.633 2.404
64 HD2 ARG 9 HD2 ARG 9 2.921 11.924 3.925
65 HD3 ARG 9 HD3 ARG 9 3.952 10.699 3.146
66 HE ARG 9 HE ARG 9 5.622 12.783 4.057
67 HH11 ARG 9 HH11 ARG 9 3.490 10.301 5.337
68 HH12 ARG 9 HH12 ARG 9 4.386 10.133 6.834
69 HH21 ARG 9 HH21 ARG 9 6.777 12.560 5.999
70 HH22 ARG 9 HH22 ARG 9 6.243 11.409 7.208
71 H ARG 10 H ARG 10 0.979 13.271 -0.977
72 HA ARG 10 HA ARG 10 1.319 16.154 -0.471
73 HB2 ARG 10 HB2 ARG 10 0.886 16.341 -2.884
74 HB3 ARG 10 HB3 ARG 10 2.237 15.251 -2.491
75 HG2 ARG 10 HG2 ARG 10 1.030 13.336 -3.076
76 HG3 ARG 10 HG3 ARG 10 -0.538 14.167 -2.936
77 HD2 ARG 10 HD2 ARG 10 -0.120 13.861 -5.276
78 HD3 ARG 10 HD3 ARG 10 0.154 15.583 -4.920
79 HE ARG 10 HE ARG 10 2.612 14.155 -4.700
80 HH11 ARG 10 HH11 ARG 10 0.277 15.278 -7.072
81 HH12 ARG 10 HH12 ARG 10 1.463 15.414 -8.355
82 HH21 ARG 10 HH21 ARG 10 4.144 14.338 -6.365
83 HH22 ARG 10 HH22 ARG 10 3.648 14.884 -7.956
84 H ASN 11 H ASN 11 -1.278 13.823 -0.857
85 HA ASN 11 HA ASN 11 -3.374 15.646 -1.503
86 HB2 ASN 11 HB2 ASN 11 -3.423 13.042 0.061
87 HB3 ASN 11 HB3 ASN 11 -4.858 13.891 -0.562
88 HD21 ASN 11 HD22 ASN 11 -4.773 11.432 -1.400
89 HD22 ASN 11 HD21 ASN 11 -4.173 11.288 -3.041
90 H ARG 12 H ARG 12 -1.709 14.975 1.506
91 HA ARG 12 HA ARG 12 -3.590 15.847 3.389
92 HB2 ARG 12 HB2 ARG 12 -1.795 16.249 4.831
93 HB3 ARG 12 HB3 ARG 12 -1.267 14.924 3.766
94 HG2 ARG 12 HG2 ARG 12 -0.072 16.644 2.369
95 HG3 ARG 12 HG3 ARG 12 -0.460 17.843 3.625
96 HD2 ARG 12 HD2 ARG 12 0.970 15.262 4.288
97 HD3 ARG 12 HD3 ARG 12 1.858 16.696 3.720
98 HE ARG 12 HE ARG 12 0.192 17.508 5.844
99 HH11 ARG 12 HH11 ARG 12 2.949 15.408 5.264
100 HH12 ARG 12 HH12 ARG 12 3.596 15.609 6.880
101 HH21 ARG 12 HH21 ARG 12 1.039 17.764 7.936
102 HH22 ARG 12 HH22 ARG 12 2.518 16.939 8.390
103 H ARG 13 H ARG 13 -1.670 17.755 1.116
104 HA ARG 13 HA ARG 13 -2.299 20.301 2.357
105 HB2 ARG 13 HB2 ARG 13 -1.431 19.653 -0.467
106 HB3 ARG 13 HB3 ARG 13 -1.407 21.254 0.311
107 HG2 ARG 13 HG2 ARG 13 0.134 18.915 1.441
108 HG3 ARG 13 HG3 ARG 13 0.811 19.939 0.153
109 HD2 ARG 13 HD2 ARG 13 -0.159 20.902 2.869
110 HD3 ARG 13 HD3 ARG 13 1.541 20.695 2.385
111 HE ARG 13 HE ARG 13 -0.250 22.882 1.673
112 HH11 ARG 13 HH11 ARG 13 2.662 21.095 0.853
113 HH12 ARG 13 HH12 ARG 13 3.368 22.422 -0.048
114 HH21 ARG 13 HH21 ARG 13 0.674 24.598 0.506
115 HH22 ARG 13 HH22 ARG 13 2.246 24.401 -0.244
116 H ARG 14 H ARG 14 -3.758 18.310 -0.195
117 HA ARG 14 HA ARG 14 -5.644 20.355 -1.014
118 HB2 ARG 14 HB2 ARG 14 -5.894 17.365 -1.328
119 HB3 ARG 14 HB3 ARG 14 -6.654 18.641 -2.308
120 HG2 ARG 14 HG2 ARG 14 -3.667 18.134 -2.154
121 HG3 ARG 14 HG3 ARG 14 -4.730 17.497 -3.432
122 HD2 ARG 14 HD2 ARG 14 -5.367 19.815 -4.033
123 HD3 ARG 14 HD3 ARG 14 -4.257 20.430 -2.785
124 HE ARG 14 HE ARG 14 -2.918 18.687 -4.651
125 HH11 ARG 14 HH11 ARG 14 -4.162 21.938 -4.184
126 HH12 ARG 14 HH12 ARG 14 -3.037 22.663 -5.316
127 HH21 ARG 14 HH21 ARG 14 -1.460 19.633 -6.113
128 HH22 ARG 14 HH22 ARG 14 -1.510 21.361 -6.405
129 H ARG 15 H ARG 15 -5.845 17.481 1.116
130 HA ARG 15 HA ARG 15 -8.605 17.743 1.741
131 HB2 ARG 15 HB2 ARG 15 -6.216 16.501 3.045
132 HB3 ARG 15 HB3 ARG 15 -7.733 16.647 3.964
133 HG2 ARG 15 HG2 ARG 15 -8.904 15.243 2.480
134 HG3 ARG 15 HG3 ARG 15 -7.662 15.401 1.215
135 HD2 ARG 15 HD2 ARG 15 -7.245 13.266 2.069
136 HD3 ARG 15 HD3 ARG 15 -6.086 14.277 2.964
137 HE ARG 15 HE ARG 15 -8.263 14.263 4.608
138 HH11 ARG 15 HH11 ARG 15 -6.435 11.739 2.986
139 HH12 ARG 15 HH12 ARG 15 -6.744 10.546 4.232
140 HH21 ARG 15 HH21 ARG 15 -8.658 12.711 6.219
141 HH22 ARG 15 HH22 ARG 15 -7.999 11.095 6.058
142 H TRP 16 H TRP 16 -5.747 19.363 3.062
143 HA TRP 16 HA TRP 16 -6.852 20.453 5.404
144 HB2 TRP 16 HB2 TRP 16 -4.436 20.640 4.283
145 HB3 TRP 16 HB3 TRP 16 -5.093 22.180 3.679
146 HD1 TRP 16 HD1 TRP 16 -4.325 23.965 5.060
147 HE1 TRP 16 HE1 TRP 16 -3.938 24.449 7.693
148 HE3 TRP 16 HE3 TRP 16 -5.629 19.389 6.854
149 HZ2 TRP 16 HZ2 TRP 16 -4.197 22.990 10.021
150 HZ3 TRP 16 HZ3 TRP 16 -5.552 18.950 9.219
151 HH2 TRP 16 HH2 TRP 16 -4.855 20.701 10.845
152 H ARG 17 H ARG 17 -7.411 21.350 2.045
153 HA ARG 17 HA ARG 17 -8.653 23.892 2.631
154 HB2 ARG 17 HB2 ARG 17 -7.691 22.943 0.418
155 HB3 ARG 17 HB3 ARG 17 -9.284 22.167 0.254
156 HG2 ARG 17 HG2 ARG 17 -8.998 25.133 0.749
157 HG3 ARG 17 HG3 ARG 17 -8.924 24.449 -0.892
158 HD2 ARG 17 HD2 ARG 17 -11.155 23.302 -0.331
159 HD3 ARG 17 HD3 ARG 17 -11.231 24.396 1.071
160 HE ARG 17 HE ARG 17 -10.744 25.824 -1.389
161 HH11 ARG 17 HH11 ARG 17 -13.219 24.275 0.565
162 HH12 ARG 17 HH12 ARG 17 -14.515 25.268 -0.072
163 HH21 ARG 17 HH21 ARG 17 -12.429 27.106 -2.210
164 HH22 ARG 17 HH22 ARG 17 -14.069 26.867 -1.640
165 H GLU 18 H GLU 18 -10.121 20.783 1.561
166 HA GLU 18 HA GLU 18 -12.794 21.574 2.086
167 HB2 GLU 18 HB2 GLU 18 -13.328 19.230 1.997
168 HB3 GLU 18 HB3 GLU 18 -12.152 19.640 0.725
169 HG2 GLU 18 HG2 GLU 18 -10.346 18.698 2.046
170 HG3 GLU 18 HG3 GLU 18 -11.469 18.362 3.385
171 H ARG 19 H ARG 19 -10.271 20.420 4.238
172 HA ARG 19 HA ARG 19 -12.051 19.750 6.423
173 HB2 ARG 19 HB2 ARG 19 -9.552 19.112 5.924
174 HB3 ARG 19 HB3 ARG 19 -9.214 20.626 6.796
175 HG2 ARG 19 HG2 ARG 19 -10.782 19.644 8.623
176 HG3 ARG 19 HG3 ARG 19 -10.497 18.090 7.805
177 HD2 ARG 19 HD2 ARG 19 -7.982 18.691 8.004
178 HD3 ARG 19 HD3 ARG 19 -8.514 19.891 9.206
179 HE ARG 19 HE ARG 19 -8.277 17.051 9.582
180 HH11 ARG 19 HH11 ARG 19 -10.182 19.866 10.471
181 HH12 ARG 19 HH12 ARG 19 -10.688 19.189 12.007
182 HH21 ARG 19 HH21 ARG 19 -8.938 16.180 11.573
183 HH22 ARG 19 HH22 ARG 19 -9.985 17.107 12.630
184 H GLN 20 H GLN 20 -10.529 22.708 5.275
185 HA GLN 20 HA GLN 20 -10.828 24.234 7.680
186 HB2 GLN 20 HB2 GLN 20 -9.610 24.667 5.358
187 HB3 GLN 20 HB3 GLN 20 -11.143 25.494 4.997
188 HG2 GLN 20 HG2 GLN 20 -10.772 27.162 6.538
189 HG3 GLN 20 HG3 GLN 20 -9.784 26.118 7.587
190 HE21 GLN 20 HE22 GLN 20 -7.596 25.550 6.813
191 HE22 GLN 20 HE21 GLN 20 -6.717 26.737 5.869
192 H ARG 21 H ARG 21 -13.106 23.250 5.207
193 HA ARG 21 HA ARG 21 -15.109 25.187 5.490
194 HB2 ARG 21 HB2 ARG 21 -14.888 22.941 4.090
195 HB3 ARG 21 HB3 ARG 21 -15.879 22.307 5.425
196 HG2 ARG 21 HG2 ARG 21 -17.309 24.495 4.894
197 HG3 ARG 21 HG3 ARG 21 -16.566 24.285 3.290
198 HD2 ARG 21 HD2 ARG 21 -17.339 21.801 3.536
199 HD3 ARG 21 HD3 ARG 21 -18.432 22.443 4.785
200 HE ARG 21 HE ARG 21 -18.736 22.671 1.937
201 HH11 ARG 21 HH11 ARG 21 -19.260 24.364 4.971
202 HH12 ARG 21 HH12 ARG 21 -20.601 25.309 4.352
203 HH21 ARG 21 HH21 ARG 21 -20.476 23.899 1.144
204 HH22 ARG 21 HH22 ARG 21 -21.287 25.047 2.191
205 H ALA 22 H ALA 22 -14.180 22.617 7.719
206 HA ALA 22 HA ALA 22 -16.508 22.688 9.350
207 HB1 ALA 22 HB1 ALA 22 -13.632 22.076 10.118
208 HB2 ALA 22 HB2 ALA 22 -15.080 21.653 11.061
209 HB3 ALA 22 HB3 ALA 22 -14.808 20.909 9.467
210 H ALA 23 H ALA 23 -13.476 24.577 9.494
211 HA ALA 23 HA ALA 23 -14.471 26.082 11.805
212 HB1 ALA 23 HB1 ALA 23 -11.990 26.453 10.089
213 HB2 ALA 23 HB2 ALA 23 -12.335 27.282 11.626
214 HB3 ALA 23 HB3 ALA 23 -12.081 25.521 11.602
215 H ALA 24 H ALA 24 -13.535 26.903 8.428
216 HA ALA 24 HA ALA 24 -14.398 29.567 8.487
217 HB1 ALA 24 HB1 ALA 24 -14.500 27.616 6.159
218 HB2 ALA 24 HB2 ALA 24 -14.545 29.391 6.041
219 HB3 ALA 24 HB3 ALA 24 -13.086 28.576 6.653
220 H ALA 25 H ALA 25 -16.284 26.617 7.799
221 HA ALA 25 HA ALA 25 -18.734 28.318 7.832
222 HB1 ALA 25 HB1 ALA 25 -18.300 25.540 6.680
223 HB2 ALA 25 HB2 ALA 25 -19.815 26.472 6.624
224 HB3 ALA 25 HB3 ALA 25 -18.379 27.054 5.748
225 H ARG 26 H ARG 26 -20.005 28.246 9.536
226 HA ARG 26 HA ARG 26 -19.612 26.062 11.509
227 HB2 ARG 26 HB2 ARG 26 -20.944 28.763 11.537
228 HB3 ARG 26 HB3 ARG 26 -21.241 27.558 12.812
229 HG2 ARG 26 HG2 ARG 26 -18.624 27.487 12.958
230 HG3 ARG 26 HG3 ARG 26 -18.727 29.072 12.156
231 HD2 ARG 26 HD2 ARG 26 -19.863 30.052 13.957
232 HD3 ARG 26 HD3 ARG 26 -20.388 28.480 14.604
233 HE ARG 26 HE ARG 26 -17.620 28.439 14.770
234 HH11 ARG 26 HH11 ARG 26 -20.215 30.490 15.957
235 HH12 ARG 26 HH12 ARG 26 -19.345 30.961 17.404
236 HH21 ARG 26 HH21 ARG 26 -16.500 29.054 16.649
237 HH22 ARG 26 HH22 ARG 26 -17.246 30.150 17.795
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 4.695 2.177 1.842
2 H2 GLY 1 H2 GLY 1 4.831 0.561 1.585
3 H3 GLY 1 H3 GLY 1 3.279 1.360 1.692
4 HA2 GLY 1 HA2 GLY 1 4.795 0.732 -0.472
5 HA3 GLY 1 HA3 GLY 1 3.216 1.545 -0.364
6 H ALA 2 H ALA 2 5.977 1.912 -1.865
7 HA ALA 2 HA ALA 2 6.736 4.607 -1.091
8 HB1 ALA 2 HB1 ALA 2 7.403 2.986 -3.574
9 HB2 ALA 2 HB2 ALA 2 8.199 4.494 -3.062
10 HB3 ALA 2 HB3 ALA 2 8.351 3.025 -2.069
11 H MET 3 H MET 3 5.040 3.203 -3.932
12 HA MET 3 HA MET 3 4.439 5.780 -5.079
13 HB2 MET 3 HB2 MET 3 3.049 4.583 -6.587
14 HB3 MET 3 HB3 MET 3 4.524 3.625 -6.313
15 HG2 MET 3 HG2 MET 3 3.073 2.440 -4.485
16 HG3 MET 3 HG3 MET 3 1.705 3.104 -5.409
17 HE1 MET 3 HE1 MET 3 0.782 2.122 -7.546
18 HE2 MET 3 HE2 MET 3 1.072 0.388 -7.823
19 HE3 MET 3 HE3 MET 3 0.567 0.960 -6.215
20 H ALA 4 H ALA 4 2.742 3.638 -2.816
21 HA ALA 4 HA ALA 4 0.227 4.927 -2.897
22 HB1 ALA 4 HB1 ALA 4 1.607 3.580 -0.550
23 HB2 ALA 4 HB2 ALA 4 -0.133 3.927 -0.683
24 HB3 ALA 4 HB3 ALA 4 0.630 2.763 -1.793
25 H THR 5 H THR 5 3.223 5.808 -1.248
26 HA THR 5 HA THR 5 2.202 7.701 0.596
27 HB THR 5 HB THR 5 4.758 8.133 -0.969
28 HG1 THR 5 HG1 THR 5 5.732 6.663 0.531
29 HG21 THR 5 HG21 THR 5 3.984 8.552 1.947
30 HG22 THR 5 HG22 THR 5 5.562 8.945 1.223
31 HG23 THR 5 HG23 THR 5 4.103 9.826 0.710
32 H ARG 6 H ARG 6 2.608 7.934 -2.889
33 HA ARG 6 HA ARG 6 2.464 10.758 -3.137
34 HB2 ARG 6 HB2 ARG 6 2.918 8.926 -4.890
35 HB3 ARG 6 HB3 ARG 6 1.147 8.828 -5.032
36 HG2 ARG 6 HG2 ARG 6 2.613 11.452 -5.309
37 HG3 ARG 6 HG3 ARG 6 2.433 10.343 -6.689
38 HD2 ARG 6 HD2 ARG 6 -0.112 10.366 -5.952
39 HD3 ARG 6 HD3 ARG 6 0.345 11.916 -5.206
40 HE ARG 6 HE ARG 6 0.462 12.867 -7.301
41 HH11 ARG 6 HH11 ARG 6 0.476 9.364 -7.585
42 HH12 ARG 6 HH12 ARG 6 0.327 9.384 -9.331
43 HH21 ARG 6 HH21 ARG 6 0.270 12.883 -9.565
44 HH22 ARG 6 HH22 ARG 6 0.211 11.371 -10.450
45 H GLN 7 H GLN 7 -0.234 8.404 -3.510
46 HA GLN 7 HA GLN 7 -2.242 10.465 -3.457
47 HB2 GLN 7 HB2 GLN 7 -2.317 8.033 -4.352
48 HB3 GLN 7 HB3 GLN 7 -2.703 7.603 -2.669
49 HG2 GLN 7 HG2 GLN 7 -4.812 7.823 -3.659
50 HG3 GLN 7 HG3 GLN 7 -4.561 9.396 -2.866
51 HE21 GLN 7 HE22 GLN 7 -6.426 9.033 -4.925
52 HE22 GLN 7 HE21 GLN 7 -5.885 9.924 -6.334
53 H ALA 8 H ALA 8 -0.658 8.549 -0.955
54 HA ALA 8 HA ALA 8 -2.483 8.935 1.143
55 HB1 ALA 8 HB1 ALA 8 0.554 8.893 1.274
56 HB2 ALA 8 HB2 ALA 8 -0.557 8.615 2.636
57 HB3 ALA 8 HB3 ALA 8 -0.510 7.466 1.278
58 H ARG 9 H ARG 9 -0.309 11.222 -0.372
59 HA ARG 9 HA ARG 9 -0.528 13.171 1.807
60 HB2 ARG 9 HB2 ARG 9 0.550 13.305 -1.014
61 HB3 ARG 9 HB3 ARG 9 0.576 14.664 0.135
62 HG2 ARG 9 HG2 ARG 9 1.839 11.985 0.753
63 HG3 ARG 9 HG3 ARG 9 2.722 13.282 -0.087
64 HD2 ARG 9 HD2 ARG 9 2.195 14.801 1.838
65 HD3 ARG 9 HD3 ARG 9 1.484 13.407 2.686
66 HE ARG 9 HE ARG 9 3.604 12.669 3.201
67 HH11 ARG 9 HH11 ARG 9 3.773 15.036 0.610
68 HH12 ARG 9 HH12 ARG 9 5.524 15.117 0.635
69 HH21 ARG 9 HH21 ARG 9 5.873 12.782 3.227
70 HH22 ARG 9 HH22 ARG 9 6.710 13.845 2.112
71 H ARG 10 H ARG 10 -2.216 12.414 -1.178
72 HA ARG 10 HA ARG 10 -3.558 14.953 -1.439
73 HB2 ARG 10 HB2 ARG 10 -3.243 12.940 -3.094
74 HB3 ARG 10 HB3 ARG 10 -4.746 12.358 -2.340
75 HG2 ARG 10 HG2 ARG 10 -5.887 14.429 -2.971
76 HG3 ARG 10 HG3 ARG 10 -4.381 15.055 -3.683
77 HD2 ARG 10 HD2 ARG 10 -5.376 14.235 -5.586
78 HD3 ARG 10 HD3 ARG 10 -4.514 12.772 -5.054
79 HE ARG 10 HE ARG 10 -6.969 12.581 -3.826
80 HH11 ARG 10 HH11 ARG 10 -5.864 13.025 -7.130
81 HH12 ARG 10 HH12 ARG 10 -7.241 12.195 -7.831
82 HH21 ARG 10 HH21 ARG 10 -8.751 11.510 -4.741
83 HH22 ARG 10 HH22 ARG 10 -8.872 11.339 -6.481
84 H ASN 11 H ASN 11 -4.876 11.775 -0.383
85 HA ASN 11 HA ASN 11 -7.309 12.803 0.621
86 HB2 ASN 11 HB2 ASN 11 -7.218 10.709 2.100
87 HB3 ASN 11 HB3 ASN 11 -7.168 10.467 0.337
88 HD21 ASN 11 HD22 ASN 11 -5.836 8.882 -0.212
89 HD22 ASN 11 HD21 ASN 11 -4.287 8.539 0.535
90 H ARG 12 H ARG 12 -4.100 12.707 2.079
91 HA ARG 12 HA ARG 12 -5.056 13.395 4.743
92 HB2 ARG 12 HB2 ARG 12 -2.993 12.200 4.494
93 HB3 ARG 12 HB3 ARG 12 -2.342 13.457 3.415
94 HG2 ARG 12 HG2 ARG 12 -3.153 14.652 5.903
95 HG3 ARG 12 HG3 ARG 12 -2.096 13.260 6.237
96 HD2 ARG 12 HD2 ARG 12 -0.269 14.235 5.264
97 HD3 ARG 12 HD3 ARG 12 -1.243 15.095 4.049
98 HE ARG 12 HE ARG 12 -1.217 16.933 5.417
99 HH11 ARG 12 HH11 ARG 12 -0.652 14.057 7.353
100 HH12 ARG 12 HH12 ARG 12 -0.391 14.957 8.834
101 HH21 ARG 12 HH21 ARG 12 -0.874 18.094 7.339
102 HH22 ARG 12 HH22 ARG 12 -0.516 17.239 8.826
103 H ARG 13 H ARG 13 -3.803 15.183 1.935
104 HA ARG 13 HA ARG 13 -3.631 17.714 3.309
105 HB2 ARG 13 HB2 ARG 13 -3.637 16.772 0.468
106 HB3 ARG 13 HB3 ARG 13 -3.876 18.501 0.815
107 HG2 ARG 13 HG2 ARG 13 -1.744 18.712 1.803
108 HG3 ARG 13 HG3 ARG 13 -1.552 16.950 1.964
109 HD2 ARG 13 HD2 ARG 13 -1.250 16.681 -0.396
110 HD3 ARG 13 HD3 ARG 13 -1.756 18.357 -0.717
111 HE ARG 13 HE ARG 13 0.470 18.550 0.942
112 HH11 ARG 13 HH11 ARG 13 -0.289 17.177 -2.202
113 HH12 ARG 13 HH12 ARG 13 1.329 17.415 -2.832
114 HH21 ARG 13 HH21 ARG 13 2.565 18.856 0.117
115 HH22 ARG 13 HH22 ARG 13 2.941 18.363 -1.522
116 H ARG 14 H ARG 14 -6.089 16.339 1.079
117 HA ARG 14 HA ARG 14 -7.876 18.531 1.182
118 HB2 ARG 14 HB2 ARG 14 -9.530 17.032 0.371
119 HB3 ARG 14 HB3 ARG 14 -7.977 16.606 -0.385
120 HG2 ARG 14 HG2 ARG 14 -7.717 14.706 1.076
121 HG3 ARG 14 HG3 ARG 14 -9.146 15.183 2.023
122 HD2 ARG 14 HD2 ARG 14 -9.202 14.433 -0.921
123 HD3 ARG 14 HD3 ARG 14 -9.581 13.314 0.409
124 HE ARG 14 HE ARG 14 -11.253 15.454 0.848
125 HH11 ARG 14 HH11 ARG 14 -10.597 13.322 -1.865
126 HH12 ARG 14 HH12 ARG 14 -12.226 13.431 -2.503
127 HH21 ARG 14 HH21 ARG 14 -13.362 15.592 0.016
128 HH22 ARG 14 HH22 ARG 14 -13.789 14.714 -1.440
129 H ARG 15 H ARG 15 -7.278 15.952 3.498
130 HA ARG 15 HA ARG 15 -9.696 16.314 5.019
131 HB2 ARG 15 HB2 ARG 15 -7.034 15.025 5.418
132 HB3 ARG 15 HB3 ARG 15 -8.034 15.363 6.851
133 HG2 ARG 15 HG2 ARG 15 -9.816 13.993 6.034
134 HG3 ARG 15 HG3 ARG 15 -9.045 13.837 4.438
135 HD2 ARG 15 HD2 ARG 15 -7.442 12.339 5.207
136 HD3 ARG 15 HD3 ARG 15 -7.574 12.903 6.890
137 HE ARG 15 HE ARG 15 -10.044 11.754 6.220
138 HH11 ARG 15 HH11 ARG 15 -6.681 10.784 6.516
139 HH12 ARG 15 HH12 ARG 15 -7.068 9.136 6.969
140 HH21 ARG 15 HH21 ARG 15 -10.540 9.617 6.807
141 HH22 ARG 15 HH22 ARG 15 -9.250 8.476 7.133
142 H TRP 16 H TRP 16 -6.445 17.762 5.209
143 HA TRP 16 HA TRP 16 -7.118 19.296 7.601
144 HB2 TRP 16 HB2 TRP 16 -4.763 19.055 5.743
145 HB3 TRP 16 HB3 TRP 16 -4.902 20.512 6.755
146 HD1 TRP 16 HD1 TRP 16 -3.548 17.255 6.744
147 HE1 TRP 16 HE1 TRP 16 -2.853 16.443 9.228
148 HE3 TRP 16 HE3 TRP 16 -6.067 20.779 9.409
149 HZ2 TRP 16 HZ2 TRP 16 -3.387 17.292 11.798
150 HZ3 TRP 16 HZ3 TRP 16 -5.977 20.768 11.815
151 HH2 TRP 16 HH2 TRP 16 -4.658 19.063 13.059
152 H ARG 17 H ARG 17 -7.363 19.753 4.136
153 HA ARG 17 HA ARG 17 -7.692 22.652 4.331
154 HB2 ARG 17 HB2 ARG 17 -7.348 20.667 2.295
155 HB3 ARG 17 HB3 ARG 17 -8.813 21.614 1.945
156 HG2 ARG 17 HG2 ARG 17 -6.026 22.720 2.420
157 HG3 ARG 17 HG3 ARG 17 -6.852 22.595 0.848
158 HD2 ARG 17 HD2 ARG 17 -8.686 24.057 1.839
159 HD3 ARG 17 HD3 ARG 17 -7.594 24.343 3.214
160 HE ARG 17 HE ARG 17 -6.150 24.927 0.877
161 HH11 ARG 17 HH11 ARG 17 -8.989 26.084 2.591
162 HH12 ARG 17 HH12 ARG 17 -8.806 27.734 2.030
163 HH21 ARG 17 HH21 ARG 17 -5.918 27.068 0.155
164 HH22 ARG 17 HH22 ARG 17 -7.071 28.290 0.654
165 H GLU 18 H GLU 18 -9.908 19.939 3.499
166 HA GLU 18 HA GLU 18 -12.270 21.502 3.462
167 HB2 GLU 18 HB2 GLU 18 -11.759 18.599 4.114
168 HB3 GLU 18 HB3 GLU 18 -13.389 19.305 4.011
169 HG2 GLU 18 HG2 GLU 18 -12.615 20.108 1.663
170 HG3 GLU 18 HG3 GLU 18 -11.358 18.860 1.837
171 H ARG 19 H ARG 19 -10.406 20.243 6.154
172 HA ARG 19 HA ARG 19 -12.451 20.429 8.150
173 HB2 ARG 19 HB2 ARG 19 -10.338 19.211 8.428
174 HB3 ARG 19 HB3 ARG 19 -9.452 20.754 8.380
175 HG2 ARG 19 HG2 ARG 19 -11.636 20.429 10.399
176 HG3 ARG 19 HG3 ARG 19 -10.101 19.573 10.678
177 HD2 ARG 19 HD2 ARG 19 -9.050 21.930 10.105
178 HD3 ARG 19 HD3 ARG 19 -10.659 22.525 10.579
179 HE ARG 19 HE ARG 19 -9.854 20.796 12.614
180 HH11 ARG 19 HH11 ARG 19 -8.691 23.756 11.120
181 HH12 ARG 19 HH12 ARG 19 -7.922 24.337 12.584
182 HH21 ARG 19 HH21 ARG 19 -8.859 21.557 14.509
183 HH22 ARG 19 HH22 ARG 19 -8.017 23.095 14.499
184 H GLN 20 H GLN 20 -9.932 22.761 7.107
185 HA GLN 20 HA GLN 20 -10.927 24.817 8.914
186 HB2 GLN 20 HB2 GLN 20 -8.563 24.396 7.767
187 HB3 GLN 20 HB3 GLN 20 -9.272 25.450 6.520
188 HG2 GLN 20 HG2 GLN 20 -9.248 27.299 7.868
189 HG3 GLN 20 HG3 GLN 20 -9.506 26.351 9.352
190 HE21 GLN 20 HE22 GLN 20 -6.999 26.055 6.811
191 HE22 GLN 20 HE21 GLN 20 -5.638 26.325 7.883
192 H ARG 21 H ARG 21 -11.608 23.807 5.631
193 HA ARG 21 HA ARG 21 -12.675 26.152 4.533
194 HB2 ARG 21 HB2 ARG 21 -12.439 23.668 3.663
195 HB3 ARG 21 HB3 ARG 21 -14.133 23.568 4.198
196 HG2 ARG 21 HG2 ARG 21 -14.064 24.123 1.838
197 HG3 ARG 21 HG3 ARG 21 -14.673 25.515 2.764
198 HD2 ARG 21 HD2 ARG 21 -12.768 26.771 2.397
199 HD3 ARG 21 HD3 ARG 21 -11.731 25.337 2.210
200 HE ARG 21 HE ARG 21 -13.568 25.402 0.055
201 HH11 ARG 21 HH11 ARG 21 -10.824 27.188 1.328
202 HH12 ARG 21 HH12 ARG 21 -10.310 27.759 -0.247
203 HH21 ARG 21 HH21 ARG 21 -12.895 26.143 -1.983
204 HH22 ARG 21 HH22 ARG 21 -11.479 27.169 -2.118
205 H ALA 22 H ALA 22 -14.033 24.051 7.019
206 HA ALA 22 HA ALA 22 -16.697 25.048 6.902
207 HB1 ALA 22 HB1 ALA 22 -15.144 23.951 9.272
208 HB2 ALA 22 HB2 ALA 22 -16.913 24.124 9.168
209 HB3 ALA 22 HB3 ALA 22 -16.064 22.987 8.093
210 H ALA 23 H ALA 23 -13.824 26.157 8.701
211 HA ALA 23 HA ALA 23 -15.364 28.325 9.936
212 HB1 ALA 23 HB1 ALA 23 -12.385 27.724 9.948
213 HB2 ALA 23 HB2 ALA 23 -13.214 28.930 10.960
214 HB3 ALA 23 HB3 ALA 23 -13.559 27.197 11.176
215 H ALA 24 H ALA 24 -12.579 28.129 7.666
216 HA ALA 24 HA ALA 24 -12.445 30.871 7.083
217 HB1 ALA 24 HB1 ALA 24 -11.888 28.526 5.233
218 HB2 ALA 24 HB2 ALA 24 -11.303 30.192 5.016
219 HB3 ALA 24 HB3 ALA 24 -10.743 29.225 6.401
220 H ALA 25 H ALA 25 -14.423 28.340 5.512
221 HA ALA 25 HA ALA 25 -15.793 30.488 3.979
222 HB1 ALA 25 HB1 ALA 25 -15.881 27.467 3.673
223 HB2 ALA 25 HB2 ALA 25 -16.687 28.651 2.617
224 HB3 ALA 25 HB3 ALA 25 -14.910 28.586 2.688
225 H ARG 26 H ARG 26 -17.818 31.102 4.355
226 HA ARG 26 HA ARG 26 -19.302 29.632 6.494
227 HB2 ARG 26 HB2 ARG 26 -19.288 32.480 5.519
228 HB3 ARG 26 HB3 ARG 26 -20.648 31.820 6.458
229 HG2 ARG 26 HG2 ARG 26 -19.076 31.241 8.281
230 HG3 ARG 26 HG3 ARG 26 -17.751 31.975 7.346
231 HD2 ARG 26 HD2 ARG 26 -20.224 33.392 8.404
232 HD3 ARG 26 HD3 ARG 26 -18.565 33.554 9.026
233 HE ARG 26 HE ARG 26 -18.457 34.224 6.313
234 HH11 ARG 26 HH11 ARG 26 -20.064 35.365 9.222
235 HH12 ARG 26 HH12 ARG 26 -20.122 37.032 8.682
236 HH21 ARG 26 HH21 ARG 26 -18.533 36.385 5.623
237 HH22 ARG 26 HH22 ARG 26 -19.257 37.608 6.649
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 1.909 1.279 0.253
2 H2 GLY 1 H2 GLY 1 2.320 -0.310 0.283
3 H3 GLY 1 H3 GLY 1 0.777 0.241 -0.329
4 HA2 GLY 1 HA2 GLY 1 3.100 -0.298 -1.630
5 HA3 GLY 1 HA3 GLY 1 1.530 0.263 -2.253
6 H ALA 2 H ALA 2 4.100 1.017 -3.288
7 HA ALA 2 HA ALA 2 4.953 3.546 -2.319
8 HB1 ALA 2 HB1 ALA 2 5.081 2.422 -5.140
9 HB2 ALA 2 HB2 ALA 2 6.037 3.784 -4.511
10 HB3 ALA 2 HB3 ALA 2 6.280 2.149 -3.854
11 H MET 3 H MET 3 2.558 2.691 -4.838
12 HA MET 3 HA MET 3 1.967 5.444 -5.492
13 HB2 MET 3 HB2 MET 3 1.565 3.321 -6.870
14 HB3 MET 3 HB3 MET 3 0.131 3.082 -5.845
15 HG2 MET 3 HG2 MET 3 -0.537 5.460 -6.524
16 HG3 MET 3 HG3 MET 3 0.713 5.325 -7.783
17 HE1 MET 3 HE1 MET 3 -2.908 5.068 -7.101
18 HE2 MET 3 HE2 MET 3 -3.474 3.527 -7.786
19 HE3 MET 3 HE3 MET 3 -2.505 3.534 -6.294
20 H ALA 4 H ALA 4 0.754 3.157 -3.095
21 HA ALA 4 HA ALA 4 -1.575 4.726 -2.427
22 HB1 ALA 4 HB1 ALA 4 -0.087 2.617 -0.824
23 HB2 ALA 4 HB2 ALA 4 -1.716 3.243 -0.474
24 HB3 ALA 4 HB3 ALA 4 -1.420 2.312 -1.962
25 H THR 5 H THR 5 1.771 4.604 -1.252
26 HA THR 5 HA THR 5 1.216 6.470 0.950
27 HB THR 5 HB THR 5 3.738 6.482 1.128
28 HG1 THR 5 HG1 THR 5 4.824 4.878 -0.137
29 HG21 THR 5 HG21 THR 5 2.407 3.742 1.088
30 HG22 THR 5 HG22 THR 5 3.907 4.157 1.951
31 HG23 THR 5 HG23 THR 5 2.365 4.899 2.440
32 H ARG 6 H ARG 6 2.634 6.636 -2.307
33 HA ARG 6 HA ARG 6 3.627 9.271 -2.181
34 HB2 ARG 6 HB2 ARG 6 3.890 7.593 -4.034
35 HB3 ARG 6 HB3 ARG 6 2.233 7.998 -4.539
36 HG2 ARG 6 HG2 ARG 6 3.851 9.219 -5.895
37 HG3 ARG 6 HG3 ARG 6 2.917 10.342 -4.879
38 HD2 ARG 6 HD2 ARG 6 4.723 10.754 -3.448
39 HD3 ARG 6 HD3 ARG 6 5.567 9.262 -3.926
40 HE ARG 6 HE ARG 6 5.742 11.858 -5.193
41 HH11 ARG 6 HH11 ARG 6 5.943 8.389 -5.713
42 HH12 ARG 6 HH12 ARG 6 6.997 8.536 -7.106
43 HH21 ARG 6 HH21 ARG 6 7.105 12.041 -6.997
44 HH22 ARG 6 HH22 ARG 6 7.654 10.601 -7.832
45 H GLN 7 H GLN 7 0.423 8.280 -3.490
46 HA GLN 7 HA GLN 7 -0.575 10.942 -3.684
47 HB2 GLN 7 HB2 GLN 7 -1.593 9.133 -4.884
48 HB3 GLN 7 HB3 GLN 7 -1.956 8.273 -3.368
49 HG2 GLN 7 HG2 GLN 7 -3.727 9.658 -2.840
50 HG3 GLN 7 HG3 GLN 7 -3.071 11.028 -3.768
51 HE21 GLN 7 HE22 GLN 7 -3.544 11.253 -5.939
52 HE22 GLN 7 HE21 GLN 7 -4.716 10.244 -6.764
53 H ALA 8 H ALA 8 -0.320 8.743 -0.965
54 HA ALA 8 HA ALA 8 -2.264 9.785 0.748
55 HB1 ALA 8 HB1 ALA 8 0.548 8.880 1.460
56 HB2 ALA 8 HB2 ALA 8 -0.825 9.014 2.584
57 HB3 ALA 8 HB3 ALA 8 -0.869 7.822 1.264
58 H ARG 9 H ARG 9 0.888 11.150 -0.121
59 HA ARG 9 HA ARG 9 1.045 13.138 1.894
60 HB2 ARG 9 HB2 ARG 9 2.102 12.800 -0.880
61 HB3 ARG 9 HB3 ARG 9 2.223 14.397 -0.105
62 HG2 ARG 9 HG2 ARG 9 4.279 13.275 0.329
63 HG3 ARG 9 HG3 ARG 9 3.348 13.250 1.846
64 HD2 ARG 9 HD2 ARG 9 2.743 10.959 1.545
65 HD3 ARG 9 HD3 ARG 9 3.320 10.957 -0.138
66 HE ARG 9 HE ARG 9 4.887 10.516 2.247
67 HH11 ARG 9 HH11 ARG 9 4.967 11.778 -1.030
68 HH12 ARG 9 HH12 ARG 9 6.686 11.495 -1.227
69 HH21 ARG 9 HH21 ARG 9 7.112 10.152 1.985
70 HH22 ARG 9 HH22 ARG 9 7.898 10.576 0.476
71 H ARG 10 H ARG 10 -0.829 13.017 -1.101
72 HA ARG 10 HA ARG 10 -1.594 15.830 -0.954
73 HB2 ARG 10 HB2 ARG 10 -2.833 13.538 -2.490
74 HB3 ARG 10 HB3 ARG 10 -3.101 15.276 -2.761
75 HG2 ARG 10 HG2 ARG 10 -1.004 15.590 -3.710
76 HG3 ARG 10 HG3 ARG 10 -0.322 14.144 -2.928
77 HD2 ARG 10 HD2 ARG 10 -1.944 12.795 -4.395
78 HD3 ARG 10 HD3 ARG 10 -2.175 14.299 -5.319
79 HE ARG 10 HE ARG 10 0.616 13.652 -5.010
80 HH11 ARG 10 HH11 ARG 10 -2.298 12.873 -6.808
81 HH12 ARG 10 HH12 ARG 10 -1.423 12.320 -8.223
82 HH21 ARG 10 HH21 ARG 10 1.743 12.938 -6.848
83 HH22 ARG 10 HH22 ARG 10 0.860 12.357 -8.246
84 H ASN 11 H ASN 11 -3.263 12.715 -0.316
85 HA ASN 11 HA ASN 11 -5.711 13.875 0.554
86 HB2 ASN 11 HB2 ASN 11 -4.336 11.248 1.182
87 HB3 ASN 11 HB3 ASN 11 -5.952 11.666 1.798
88 HD21 ASN 11 HD22 ASN 11 -4.595 9.768 -0.363
89 HD22 ASN 11 HD21 ASN 11 -5.725 9.884 -1.699
90 H ARG 12 H ARG 12 -2.634 13.425 2.196
91 HA ARG 12 HA ARG 12 -3.591 13.743 4.874
92 HB2 ARG 12 HB2 ARG 12 -1.285 12.996 3.950
93 HB3 ARG 12 HB3 ARG 12 -0.930 14.739 3.903
94 HG2 ARG 12 HG2 ARG 12 -0.078 13.854 5.971
95 HG3 ARG 12 HG3 ARG 12 -1.501 14.861 6.332
96 HD2 ARG 12 HD2 ARG 12 -2.869 12.980 6.746
97 HD3 ARG 12 HD3 ARG 12 -1.731 11.870 5.947
98 HE ARG 12 HE ARG 12 -0.530 13.140 8.233
99 HH11 ARG 12 HH11 ARG 12 -2.768 10.616 7.249
100 HH12 ARG 12 HH12 ARG 12 -2.492 9.645 8.682
101 HH21 ARG 12 HH21 ARG 12 -0.176 11.876 10.085
102 HH22 ARG 12 HH22 ARG 12 -1.028 10.357 10.285
103 H ARG 13 H ARG 13 -1.896 16.173 2.833
104 HA ARG 13 HA ARG 13 -2.546 18.366 4.537
105 HB2 ARG 13 HB2 ARG 13 -1.896 19.760 2.666
106 HB3 ARG 13 HB3 ARG 13 -0.748 18.420 2.896
107 HG2 ARG 13 HG2 ARG 13 -2.065 17.195 1.074
108 HG3 ARG 13 HG3 ARG 13 -2.837 18.762 0.734
109 HD2 ARG 13 HD2 ARG 13 0.171 18.506 0.837
110 HD3 ARG 13 HD3 ARG 13 -0.729 18.077 -0.637
111 HE ARG 13 HE ARG 13 -1.582 20.638 0.207
112 HH11 ARG 13 HH11 ARG 13 1.274 19.023 -1.049
113 HH12 ARG 13 HH12 ARG 13 1.888 20.462 -1.839
114 HH21 ARG 13 HH21 ARG 13 -0.778 22.499 -0.820
115 HH22 ARG 13 HH22 ARG 13 0.730 22.424 -1.710
116 H ARG 14 H ARG 14 -4.269 16.905 1.800
117 HA ARG 14 HA ARG 14 -6.182 18.917 1.340
118 HB2 ARG 14 HB2 ARG 14 -6.237 15.916 1.164
119 HB3 ARG 14 HB3 ARG 14 -7.688 16.885 0.815
120 HG2 ARG 14 HG2 ARG 14 -5.103 17.570 -0.545
121 HG3 ARG 14 HG3 ARG 14 -6.035 16.166 -1.117
122 HD2 ARG 14 HD2 ARG 14 -7.327 18.872 -0.719
123 HD3 ARG 14 HD3 ARG 14 -6.488 18.456 -2.232
124 HE ARG 14 HE ARG 14 -8.481 16.502 -1.389
125 HH11 ARG 14 HH11 ARG 14 -7.849 19.458 -3.180
126 HH12 ARG 14 HH12 ARG 14 -9.246 19.269 -4.222
127 HH21 ARG 14 HH21 ARG 14 -10.291 16.265 -2.741
128 HH22 ARG 14 HH22 ARG 14 -10.626 17.465 -3.974
129 H ARG 15 H ARG 15 -5.980 16.556 3.961
130 HA ARG 15 HA ARG 15 -8.600 16.722 4.968
131 HB2 ARG 15 HB2 ARG 15 -6.453 15.385 5.707
132 HB3 ARG 15 HB3 ARG 15 -6.258 16.756 6.825
133 HG2 ARG 15 HG2 ARG 15 -7.493 15.363 8.161
134 HG3 ARG 15 HG3 ARG 15 -8.811 16.233 7.341
135 HD2 ARG 15 HD2 ARG 15 -9.485 14.016 7.105
136 HD3 ARG 15 HD3 ARG 15 -8.621 14.303 5.576
137 HE ARG 15 HE ARG 15 -6.678 13.322 7.260
138 HH11 ARG 15 HH11 ARG 15 -9.855 12.238 6.226
139 HH12 ARG 15 HH12 ARG 15 -9.453 10.537 6.362
140 HH21 ARG 15 HH21 ARG 15 -6.164 11.118 7.435
141 HH22 ARG 15 HH22 ARG 15 -7.368 9.904 7.045
142 H TRP 16 H TRP 16 -5.794 18.791 5.835
143 HA TRP 16 HA TRP 16 -7.194 20.500 7.602
144 HB2 TRP 16 HB2 TRP 16 -4.727 20.812 5.878
145 HB3 TRP 16 HB3 TRP 16 -5.365 22.196 6.798
146 HD1 TRP 16 HD1 TRP 16 -2.966 19.698 7.034
147 HE1 TRP 16 HE1 TRP 16 -2.250 19.171 9.588
148 HE3 TRP 16 HE3 TRP 16 -6.887 21.933 9.378
149 HZ2 TRP 16 HZ2 TRP 16 -3.310 19.707 12.079
150 HZ3 TRP 16 HZ3 TRP 16 -7.026 21.918 11.782
151 HH2 TRP 16 HH2 TRP 16 -5.277 20.831 13.180
152 H ARG 17 H ARG 17 -7.039 20.482 4.071
153 HA ARG 17 HA ARG 17 -8.220 23.092 3.730
154 HB2 ARG 17 HB2 ARG 17 -6.907 21.619 2.066
155 HB3 ARG 17 HB3 ARG 17 -8.463 20.798 1.801
156 HG2 ARG 17 HG2 ARG 17 -8.379 23.783 1.620
157 HG3 ARG 17 HG3 ARG 17 -7.674 22.840 0.286
158 HD2 ARG 17 HD2 ARG 17 -9.822 21.578 0.106
159 HD3 ARG 17 HD3 ARG 17 -10.514 22.643 1.353
160 HE ARG 17 HE ARG 17 -10.772 24.299 -0.234
161 HH11 ARG 17 HH11 ARG 17 -8.584 21.826 -1.436
162 HH12 ARG 17 HH12 ARG 17 -8.524 22.495 -3.055
163 HH21 ARG 17 HH21 ARG 17 -10.688 25.159 -2.333
164 HH22 ARG 17 HH22 ARG 17 -9.712 24.378 -3.562
165 H GLU 18 H GLU 18 -9.604 19.783 3.472
166 HA GLU 18 HA GLU 18 -12.286 20.651 3.076
167 HB2 GLU 18 HB2 GLU 18 -11.356 18.137 4.469
168 HB3 GLU 18 HB3 GLU 18 -12.917 18.415 3.661
169 HG2 GLU 18 HG2 GLU 18 -10.273 18.544 2.206
170 HG3 GLU 18 HG3 GLU 18 -11.178 17.024 2.405
171 H ARG 19 H ARG 19 -10.351 20.286 6.000
172 HA ARG 19 HA ARG 19 -12.638 20.502 7.794
173 HB2 ARG 19 HB2 ARG 19 -10.364 19.419 8.238
174 HB3 ARG 19 HB3 ARG 19 -9.750 21.078 8.434
175 HG2 ARG 19 HG2 ARG 19 -10.961 21.444 10.380
176 HG3 ARG 19 HG3 ARG 19 -12.162 20.190 9.989
177 HD2 ARG 19 HD2 ARG 19 -10.229 18.509 10.261
178 HD3 ARG 19 HD3 ARG 19 -9.342 19.844 11.035
179 HE ARG 19 HE ARG 19 -10.630 19.571 12.922
180 HH11 ARG 19 HH11 ARG 19 -12.180 17.984 10.199
181 HH12 ARG 19 HH12 ARG 19 -13.423 17.239 11.184
182 HH21 ARG 19 HH21 ARG 19 -12.243 18.601 14.193
183 HH22 ARG 19 HH22 ARG 19 -13.459 17.587 13.442
184 H GLN 20 H GLN 20 -10.434 22.738 6.202
185 HA GLN 20 HA GLN 20 -10.976 25.006 7.879
186 HB2 GLN 20 HB2 GLN 20 -9.233 24.477 5.901
187 HB3 GLN 20 HB3 GLN 20 -10.455 25.388 4.984
188 HG2 GLN 20 HG2 GLN 20 -10.236 27.274 6.533
189 HG3 GLN 20 HG3 GLN 20 -9.051 26.360 7.497
190 HE21 GLN 20 HE22 GLN 20 -7.123 25.516 6.165
191 HE22 GLN 20 HE21 GLN 20 -6.417 26.664 5.045
192 H ARG 21 H ARG 21 -12.760 23.477 5.281
193 HA ARG 21 HA ARG 21 -14.389 25.581 4.408
194 HB2 ARG 21 HB2 ARG 21 -14.506 22.665 4.518
195 HB3 ARG 21 HB3 ARG 21 -16.110 23.429 4.628
196 HG2 ARG 21 HG2 ARG 21 -16.089 24.065 2.469
197 HG3 ARG 21 HG3 ARG 21 -14.389 24.586 2.547
198 HD2 ARG 21 HD2 ARG 21 -13.612 22.323 2.232
199 HD3 ARG 21 HD3 ARG 21 -15.266 21.682 2.382
200 HE ARG 21 HE ARG 21 -14.022 22.723 0.011
201 HH11 ARG 21 HH11 ARG 21 -17.080 22.507 1.727
202 HH12 ARG 21 HH12 ARG 21 -18.046 22.630 0.269
203 HH21 ARG 21 HH21 ARG 21 -15.279 22.879 -1.874
204 HH22 ARG 21 HH22 ARG 21 -17.028 22.840 -1.766
205 H ALA 22 H ALA 22 -14.568 23.730 7.427
206 HA ALA 22 HA ALA 22 -17.123 24.566 8.268
207 HB1 ALA 22 HB1 ALA 22 -14.647 24.052 9.954
208 HB2 ALA 22 HB2 ALA 22 -16.327 24.075 10.540
209 HB3 ALA 22 HB3 ALA 22 -15.801 22.819 9.394
210 H ALA 23 H ALA 23 -13.953 26.170 8.691
211 HA ALA 23 HA ALA 23 -15.234 28.438 10.034
212 HB1 ALA 23 HB1 ALA 23 -12.376 28.023 9.089
213 HB2 ALA 23 HB2 ALA 23 -12.954 29.347 10.127
214 HB3 ALA 23 HB3 ALA 23 -12.997 27.669 10.719
215 H ALA 24 H ALA 24 -13.378 27.976 6.987
216 HA ALA 24 HA ALA 24 -13.703 30.542 5.954
217 HB1 ALA 24 HB1 ALA 24 -13.749 27.914 4.427
218 HB2 ALA 24 HB2 ALA 24 -13.401 29.519 3.740
219 HB3 ALA 24 HB3 ALA 24 -12.291 28.801 4.932
220 H ALA 25 H ALA 25 -15.961 27.780 5.690
221 HA ALA 25 HA ALA 25 -18.039 29.757 4.853
222 HB1 ALA 25 HB1 ALA 25 -17.757 26.854 3.998
223 HB2 ALA 25 HB2 ALA 25 -19.071 27.960 3.534
224 HB3 ALA 25 HB3 ALA 25 -17.407 28.277 2.988
225 H ARG 26 H ARG 26 -19.469 30.083 6.393
226 HA ARG 26 HA ARG 26 -19.837 28.170 8.559
227 HB2 ARG 26 HB2 ARG 26 -20.758 30.883 7.827
228 HB3 ARG 26 HB3 ARG 26 -21.890 29.915 8.801
229 HG2 ARG 26 HG2 ARG 26 -19.110 29.847 9.768
230 HG3 ARG 26 HG3 ARG 26 -19.843 31.469 9.796
231 HD2 ARG 26 HD2 ARG 26 -21.179 30.942 11.529
232 HD3 ARG 26 HD3 ARG 26 -21.669 29.404 10.779
233 HE ARG 26 HE ARG 26 -19.597 29.814 12.783
234 HH11 ARG 26 HH11 ARG 26 -20.801 27.747 10.211
235 HH12 ARG 26 HH12 ARG 26 -20.013 26.310 10.832
236 HH21 ARG 26 HH21 ARG 26 -18.577 27.947 13.581
237 HH22 ARG 26 HH22 ARG 26 -18.758 26.422 12.735
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