Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
637428 | 6d93 RC | 30466 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 18.323 20.959 28.496
2 H2 ALA 1 H2 ALA 1 18.971 22.098 27.504
3 H3 ALA 1 H3 ALA 1 19.944 21.273 28.527
4 HA ALA 1 HA ALA 1 19.640 19.244 27.448
5 HB1 ALA 1 HB1 ALA 1 18.311 19.054 25.390
6 HB2 ALA 1 HB2 ALA 1 17.322 19.469 26.795
7 HB3 ALA 1 HB3 ALA 1 17.724 20.723 25.606
8 H PHE 2 H PHE 2 19.533 21.792 24.845
9 HA PHE 2 HA PHE 2 22.348 20.986 24.266
10 HB2 PHE 2 HB2 PHE 2 20.174 21.724 22.293
11 HB3 PHE 2 HB3 PHE 2 21.772 21.103 21.922
12 HD1 PHE 2 HD1 PHE 2 22.413 18.743 22.818
13 HD2 PHE 2 HD2 PHE 2 18.362 20.199 22.530
14 HE1 PHE 2 HE1 PHE 2 21.565 16.401 22.856
15 HE2 PHE 2 HE2 PHE 2 17.524 17.860 22.584
16 HZ PHE 2 HZ PHE 2 19.120 15.963 22.757
17 H CYS 3 H CYS 3 21.217 23.555 25.650
18 HA CYS 3 HA CYS 3 23.057 25.410 24.238
19 HB2 CYS 3 HB2 CYS 3 20.869 25.756 23.203
20 HB3 CYS 3 HB3 CYS 3 20.140 25.996 24.790
21 H ASN 4 H ASN 4 24.425 26.132 25.678
22 HA ASN 4 HA ASN 4 23.841 26.366 28.551
23 HB2 ASN 4 HB2 ASN 4 26.400 26.854 26.967
24 HB3 ASN 4 HB3 ASN 4 26.251 26.861 28.724
25 HD21 ASN 4 HD21 ASN 4 25.973 23.283 28.988
26 HD22 ASN 4 HD22 ASN 4 25.525 24.793 29.775
27 H LEU 5 H LEU 5 22.171 27.888 27.504
28 HA LEU 5 HA LEU 5 22.470 30.264 26.334
29 HB2 LEU 5 HB2 LEU 5 20.378 29.179 26.911
30 HB3 LEU 5 HB3 LEU 5 20.554 29.599 28.595
31 HG LEU 5 HG LEU 5 18.879 30.881 27.206
32 HD11 LEU 5 HD11 LEU 5 19.194 32.959 28.345
33 HD12 LEU 5 HD12 LEU 5 19.626 31.631 29.426
34 HD13 LEU 5 HD13 LEU 5 20.891 32.621 28.672
35 HD21 LEU 5 HD21 LEU 5 19.566 32.799 25.907
36 HD22 LEU 5 HD22 LEU 5 21.276 32.383 26.107
37 HD23 LEU 5 HD23 LEU 5 20.205 31.313 25.194
38 H ARG 6 H ARG 6 23.019 30.068 29.952
39 HA ARG 6 HA ARG 6 23.373 32.949 30.082
40 HB2 ARG 6 HB2 ARG 6 23.904 30.634 31.969
41 HB3 ARG 6 HB3 ARG 6 24.656 32.177 32.313
42 HG2 ARG 6 HG2 ARG 6 21.683 31.608 32.094
43 HG3 ARG 6 HG3 ARG 6 22.597 32.085 33.528
44 HD2 ARG 6 HD2 ARG 6 21.744 33.760 31.162
45 HD3 ARG 6 HD3 ARG 6 21.464 34.056 32.879
46 HE ARG 6 HE ARG 6 24.251 34.118 32.528
47 HH11 ARG 6 HH11 ARG 6 25.324 35.961 32.628
48 HH12 ARG 6 HH12 ARG 6 24.755 37.387 31.757
49 HH21 ARG 6 HH21 ARG 6 21.712 35.993 30.958
50 HH22 ARG 6 HH22 ARG 6 22.588 37.495 31.250
51 H ARG 7 H ARG 7 25.681 30.368 29.652
52 HA ARG 7 HA ARG 7 28.071 31.946 29.565
53 HB2 ARG 7 HB2 ARG 7 27.523 29.280 29.502
54 HB3 ARG 7 HB3 ARG 7 27.707 29.541 27.765
55 HG2 ARG 7 HG2 ARG 7 29.946 30.647 28.302
56 HG3 ARG 7 HG3 ARG 7 29.716 30.118 29.974
57 HD2 ARG 7 HD2 ARG 7 29.883 28.331 27.515
58 HD3 ARG 7 HD3 ARG 7 31.178 28.571 28.696
59 HE ARG 7 HE ARG 7 29.139 27.637 30.284
60 HH11 ARG 7 HH11 ARG 7 30.630 26.256 27.354
61 HH12 ARG 7 HH12 ARG 7 29.937 24.684 27.755
62 HH21 ARG 7 HH21 ARG 7 28.498 25.552 30.662
63 HH22 ARG 7 HH22 ARG 7 28.856 24.318 29.463
64 H CYS 8 H CYS 8 25.669 31.130 27.066
65 HA CYS 8 HA CYS 8 26.919 32.600 24.946
66 HB2 CYS 8 HB2 CYS 8 23.961 32.019 25.347
67 HB3 CYS 8 HB3 CYS 8 24.754 32.464 23.847
68 H GLU 9 H GLU 9 24.321 33.587 27.266
69 HA GLU 9 HA GLU 9 23.943 36.207 26.211
70 HB2 GLU 9 HB2 GLU 9 23.375 35.005 28.949
71 HB3 GLU 9 HB3 GLU 9 23.047 36.697 28.567
72 HG2 GLU 9 HG2 GLU 9 21.680 35.893 26.583
73 HG3 GLU 9 HG3 GLU 9 21.779 34.278 27.260
74 H LEU 10 H LEU 10 26.240 35.114 28.745
75 HA LEU 10 HA LEU 10 27.196 37.815 29.212
76 HB2 LEU 10 HB2 LEU 10 28.594 36.941 30.821
77 HB3 LEU 10 HB3 LEU 10 27.185 35.905 30.846
78 HG LEU 10 HG LEU 10 28.659 34.383 29.245
79 HD11 LEU 10 HD11 LEU 10 30.776 35.836 30.897
80 HD12 LEU 10 HD12 LEU 10 31.038 34.395 29.891
81 HD13 LEU 10 HD13 LEU 10 30.633 35.938 29.136
82 HD21 LEU 10 HD21 LEU 10 27.791 33.712 31.446
83 HD22 LEU 10 HD22 LEU 10 29.464 33.170 31.242
84 HD23 LEU 10 HD23 LEU 10 29.109 34.593 32.244
85 H SER 11 H SER 11 28.250 35.184 27.050
86 HA SER 11 HA SER 11 30.634 36.469 26.085
87 HB2 SER 11 HB2 SER 11 30.059 34.087 25.727
88 HB3 SER 11 HB3 SER 11 28.760 34.565 24.624
89 HG SER 11 HG SER 11 30.199 35.053 23.119
90 H CYS 12 H CYS 12 27.203 36.727 25.090
91 HA CYS 12 HA CYS 12 27.733 38.619 22.956
92 HB2 CYS 12 HB2 CYS 12 25.145 38.133 24.467
93 HB3 CYS 12 HB3 CYS 12 25.336 38.971 22.921
94 H ARG 13 H ARG 13 26.735 39.059 26.422
95 HA ARG 13 HA ARG 13 26.599 41.882 26.431
96 HB2 ARG 13 HB2 ARG 13 26.003 40.203 28.247
97 HB3 ARG 13 HB3 ARG 13 27.700 40.119 28.674
98 HG2 ARG 13 HG2 ARG 13 25.913 42.590 28.782
99 HG3 ARG 13 HG3 ARG 13 26.323 41.556 30.139
100 HD2 ARG 13 HD2 ARG 13 28.127 43.487 28.696
101 HD3 ARG 13 HD3 ARG 13 27.622 43.509 30.376
102 HE ARG 13 HE ARG 13 28.939 41.131 30.301
103 HH11 ARG 13 HH11 ARG 13 30.012 44.355 29.293
104 HH12 ARG 13 HH12 ARG 13 31.684 43.865 29.362
105 HH21 ARG 13 HH21 ARG 13 31.054 40.672 30.443
106 HH22 ARG 13 HH22 ARG 13 32.265 41.869 30.037
107 H SER 14 H SER 14 29.404 39.775 26.806
108 HA SER 14 HA SER 14 31.393 41.765 27.265
109 HB2 SER 14 HB2 SER 14 31.723 39.074 25.876
110 HB3 SER 14 HB3 SER 14 33.009 40.059 26.586
111 HG SER 14 HG SER 14 30.838 38.792 27.940
112 H LEU 15 H LEU 15 29.856 40.866 24.143
113 HA LEU 15 HA LEU 15 31.777 42.266 22.435
114 HB2 LEU 15 HB2 LEU 15 31.103 40.236 21.805
115 HB3 LEU 15 HB3 LEU 15 29.412 40.496 22.221
116 HG LEU 15 HG LEU 15 29.044 41.965 20.539
117 HD11 LEU 15 HD11 LEU 15 30.757 42.516 18.715
118 HD12 LEU 15 HD12 LEU 15 31.150 43.298 20.235
119 HD13 LEU 15 HD13 LEU 15 32.023 41.833 19.754
120 HD21 LEU 15 HD21 LEU 15 29.162 39.524 20.049
121 HD22 LEU 15 HD22 LEU 15 29.635 40.425 18.587
122 HD23 LEU 15 HD23 LEU 15 30.890 39.728 19.653
123 H GLY 16 H GLY 16 28.419 42.483 23.687
124 HA2 GLY 16 HA2 GLY 16 28.156 44.938 24.548
125 HA3 GLY 16 HA3 GLY 16 28.134 45.317 22.831
126 H LEU 17 H LEU 17 26.443 42.333 23.353
127 HA LEU 17 HA LEU 17 23.832 43.724 23.523
128 HB2 LEU 17 HB2 LEU 17 23.136 42.970 21.395
129 HB3 LEU 17 HB3 LEU 17 24.620 43.869 21.183
130 HG LEU 17 HG LEU 17 24.157 40.876 21.051
131 HD11 LEU 17 HD11 LEU 17 23.363 42.300 19.119
132 HD12 LEU 17 HD12 LEU 17 25.028 42.848 18.885
133 HD13 LEU 17 HD13 LEU 17 24.613 41.137 18.667
134 HD21 LEU 17 HD21 LEU 17 26.507 40.772 20.077
135 HD22 LEU 17 HD22 LEU 17 26.750 42.417 20.701
136 HD23 LEU 17 HD23 LEU 17 26.418 41.057 21.811
137 H LEU 18 H LEU 18 22.005 41.924 22.945
138 HA LEU 18 HA LEU 18 22.172 40.078 25.212
139 HB2 LEU 18 HB2 LEU 18 19.976 40.702 23.188
140 HB3 LEU 18 HB3 LEU 18 19.847 39.458 24.419
141 HG LEU 18 HG LEU 18 20.552 41.504 26.046
142 HD11 LEU 18 HD11 LEU 18 19.309 43.533 25.364
143 HD12 LEU 18 HD12 LEU 18 20.618 43.189 24.229
144 HD13 LEU 18 HD13 LEU 18 18.941 42.795 23.791
145 HD21 LEU 18 HD21 LEU 18 18.580 40.053 26.294
146 HD22 LEU 18 HD22 LEU 18 18.170 41.751 26.556
147 HD23 LEU 18 HD23 LEU 18 17.734 40.966 25.020
148 H GLY 19 H GLY 19 21.585 37.808 25.057
149 HA2 GLY 19 HA2 GLY 19 22.535 36.459 22.550
150 HA3 GLY 19 HA3 GLY 19 22.807 35.810 24.156
151 H LYS 20 H LYS 20 21.481 34.562 21.897
152 HA LYS 20 HA LYS 20 19.053 33.627 23.317
153 HB2 LYS 20 HB2 LYS 20 17.630 33.707 21.415
154 HB3 LYS 20 HB3 LYS 20 18.259 35.327 21.721
155 HG2 LYS 20 HG2 LYS 20 19.988 34.919 19.910
156 HG3 LYS 20 HG3 LYS 20 19.185 33.387 19.534
157 HD2 LYS 20 HD2 LYS 20 17.817 36.086 19.510
158 HD3 LYS 20 HD3 LYS 20 18.585 35.357 18.086
159 HE2 LYS 20 HE2 LYS 20 17.043 33.413 18.255
160 HE3 LYS 20 HE3 LYS 20 16.225 34.187 19.624
161 HZ1 LYS 20 HZ1 LYS 20 15.143 34.579 17.420
162 HZ2 LYS 20 HZ2 LYS 20 15.556 35.982 18.189
163 HZ3 LYS 20 HZ3 LYS 20 16.457 35.422 16.933
164 H CYS 21 H CYS 21 18.466 31.458 22.844
165 HA CYS 21 HA CYS 21 20.574 29.796 21.586
166 HB2 CYS 21 HB2 CYS 21 17.833 29.060 22.598
167 HB3 CYS 21 HB3 CYS 21 19.079 27.935 22.056
168 H ILE 22 H ILE 22 20.294 28.575 19.712
169 HA ILE 22 HA ILE 22 17.996 29.202 17.882
170 HB ILE 22 HB ILE 22 20.802 28.238 17.214
171 HG12 ILE 22 HG12 ILE 22 20.976 30.553 17.935
172 HG13 ILE 22 HG13 ILE 22 21.241 30.403 16.212
173 HG21 ILE 22 HG21 ILE 22 18.521 29.053 15.388
174 HG22 ILE 22 HG22 ILE 22 20.184 28.719 14.865
175 HG23 ILE 22 HG23 ILE 22 19.210 27.427 15.571
176 HD11 ILE 22 HD11 ILE 22 19.918 32.409 16.778
177 HD12 ILE 22 HD12 ILE 22 19.004 31.315 15.732
178 HD13 ILE 22 HD13 ILE 22 18.647 31.398 17.474
179 H GLY 23 H GLY 23 20.064 26.693 19.278
180 HA2 GLY 23 HA2 GLY 23 18.149 24.625 19.508
181 HA3 GLY 23 HA3 GLY 23 18.953 24.437 17.938
182 H GLU 24 H GLU 24 20.808 23.280 17.969
183 HA GLU 24 HA GLU 24 22.305 22.741 20.427
184 HB2 GLU 24 HB2 GLU 24 23.779 21.458 19.020
185 HB3 GLU 24 HB3 GLU 24 22.110 20.996 18.757
186 HG2 GLU 24 HG2 GLU 24 23.304 23.053 16.888
187 HG3 GLU 24 HG3 GLU 24 23.877 21.393 16.784
188 H GLU 25 H GLU 25 22.106 25.512 18.775
189 HA GLU 25 HA GLU 25 24.849 26.441 19.438
190 HB2 GLU 25 HB2 GLU 25 24.671 25.872 16.993
191 HB3 GLU 25 HB3 GLU 25 23.287 26.951 16.892
192 HG2 GLU 25 HG2 GLU 25 25.069 28.067 15.897
193 HG3 GLU 25 HG3 GLU 25 24.788 28.895 17.409
194 H CYS 26 H CYS 26 24.951 28.771 19.825
195 HA CYS 26 HA CYS 26 22.365 30.188 20.144
196 HB2 CYS 26 HB2 CYS 26 23.190 31.106 22.218
197 HB3 CYS 26 HB3 CYS 26 23.131 29.348 22.305
198 H LYS 27 H LYS 27 22.461 32.444 19.994
199 HA LYS 27 HA LYS 27 24.830 33.664 18.598
200 HB2 LYS 27 HB2 LYS 27 21.975 33.585 17.524
201 HB3 LYS 27 HB3 LYS 27 23.249 34.628 16.898
202 HG2 LYS 27 HG2 LYS 27 24.625 32.618 16.346
203 HG3 LYS 27 HG3 LYS 27 23.271 31.583 16.849
204 HD2 LYS 27 HD2 LYS 27 21.816 32.680 15.139
205 HD3 LYS 27 HD3 LYS 27 23.178 33.706 14.664
206 HE2 LYS 27 HE2 LYS 27 24.482 31.640 14.094
207 HE3 LYS 27 HE3 LYS 27 23.036 30.664 14.425
208 HZ1 LYS 27 HZ1 LYS 27 21.897 31.811 12.650
209 HZ2 LYS 27 HZ2 LYS 27 23.169 32.853 12.432
210 HZ3 LYS 27 HZ3 LYS 27 23.320 31.283 12.037
211 H CYS 28 H CYS 28 24.543 36.069 18.254
212 HA CYS 28 HA CYS 28 23.172 37.249 20.625
213 HB2 CYS 28 HB2 CYS 28 25.458 38.526 19.152
214 HB3 CYS 28 HB3 CYS 28 24.791 38.946 20.711
215 H VAL 29 H VAL 29 22.097 39.236 20.497
216 HA VAL 29 HA VAL 29 21.248 40.184 17.828
217 HB VAL 29 HB VAL 29 18.842 40.070 18.563
218 HG11 VAL 29 HG11 VAL 29 18.498 37.826 17.823
219 HG12 VAL 29 HG12 VAL 29 19.847 38.511 16.913
220 HG13 VAL 29 HG13 VAL 29 20.168 37.361 18.227
221 HG21 VAL 29 HG21 VAL 29 19.861 38.074 20.635
222 HG22 VAL 29 HG22 VAL 29 19.198 39.683 20.994
223 HG23 VAL 29 HG23 VAL 29 18.174 38.453 20.255
224 HA PRO 30 HA PRO 30 21.355 44.160 19.544
225 HB2 PRO 30 HB2 PRO 30 18.766 44.765 18.114
226 HB3 PRO 30 HB3 PRO 30 20.294 45.709 18.118
227 HG2 PRO 30 HG2 PRO 30 19.696 44.132 16.014
228 HG3 PRO 30 HG3 PRO 30 21.357 44.082 16.696
229 HD2 PRO 30 HD2 PRO 30 19.052 42.179 17.213
230 HD3 PRO 30 HD3 PRO 30 20.751 41.821 16.797
231 H ALA 31 H ALA 31 20.514 45.765 20.917
232 HA ALA 31 HA ALA 31 18.479 44.896 22.885
233 HB1 ALA 31 HB1 ALA 31 19.561 46.549 24.330
234 HB2 ALA 31 HB2 ALA 31 20.795 45.499 23.609
235 HB3 ALA 31 HB3 ALA 31 20.545 47.140 22.973
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 17.072 22.874 32.135
2 H2 ALA 1 H2 ALA 1 16.163 23.770 31.130
3 H3 ALA 1 H3 ALA 1 17.558 24.426 31.772
4 HA ALA 1 HA ALA 1 18.910 22.845 30.627
5 HB1 ALA 1 HB1 ALA 1 16.281 21.846 29.407
6 HB2 ALA 1 HB2 ALA 1 17.918 21.323 28.951
7 HB3 ALA 1 HB3 ALA 1 17.298 20.980 30.567
8 H PHE 2 H PHE 2 19.268 25.192 30.267
9 HA PHE 2 HA PHE 2 18.039 26.289 27.801
10 HB2 PHE 2 HB2 PHE 2 19.385 27.706 30.123
11 HB3 PHE 2 HB3 PHE 2 18.653 28.484 28.718
12 HD1 PHE 2 HD1 PHE 2 18.029 27.392 32.050
13 HD2 PHE 2 HD2 PHE 2 16.131 27.901 28.210
14 HE1 PHE 2 HE1 PHE 2 15.801 27.390 33.147
15 HE2 PHE 2 HE2 PHE 2 13.906 27.895 29.311
16 HZ PHE 2 HZ PHE 2 13.739 27.634 31.779
17 H CYS 3 H CYS 3 19.958 24.495 27.106
18 HA CYS 3 HA CYS 3 21.776 24.207 25.833
19 HB2 CYS 3 HB2 CYS 3 21.261 27.033 24.925
20 HB3 CYS 3 HB3 CYS 3 21.756 25.646 23.971
21 H ASN 4 H ASN 4 22.655 25.697 28.396
22 HA ASN 4 HA ASN 4 24.404 26.841 29.263
23 HB2 ASN 4 HB2 ASN 4 25.770 25.378 27.026
24 HB3 ASN 4 HB3 ASN 4 26.640 26.714 27.760
25 HD21 ASN 4 HD21 ASN 4 25.918 23.464 30.104
26 HD22 ASN 4 HD22 ASN 4 25.068 23.573 28.577
27 H LEU 5 H LEU 5 22.444 28.224 27.822
28 HA LEU 5 HA LEU 5 23.477 30.153 25.997
29 HB2 LEU 5 HB2 LEU 5 21.158 29.398 26.003
30 HB3 LEU 5 HB3 LEU 5 20.918 30.030 27.637
31 HG LEU 5 HG LEU 5 21.128 32.337 26.809
32 HD11 LEU 5 HD11 LEU 5 21.505 31.057 24.080
33 HD12 LEU 5 HD12 LEU 5 21.216 32.790 24.404
34 HD13 LEU 5 HD13 LEU 5 22.695 32.038 24.961
35 HD21 LEU 5 HD21 LEU 5 19.182 30.641 25.229
36 HD22 LEU 5 HD22 LEU 5 18.950 31.271 26.867
37 HD23 LEU 5 HD23 LEU 5 19.065 32.399 25.513
38 H ARG 6 H ARG 6 22.933 30.312 29.542
39 HA ARG 6 HA ARG 6 23.262 33.095 29.904
40 HB2 ARG 6 HB2 ARG 6 22.732 31.083 31.565
41 HB3 ARG 6 HB3 ARG 6 24.451 31.135 31.873
42 HG2 ARG 6 HG2 ARG 6 22.489 33.418 32.311
43 HG3 ARG 6 HG3 ARG 6 23.076 32.306 33.524
44 HD2 ARG 6 HD2 ARG 6 24.404 34.089 33.963
45 HD3 ARG 6 HD3 ARG 6 25.469 33.181 32.888
46 HE ARG 6 HE ARG 6 24.328 34.744 31.074
47 HH11 ARG 6 HH11 ARG 6 25.700 35.805 34.162
48 HH12 ARG 6 HH12 ARG 6 25.703 37.476 33.609
49 HH21 ARG 6 HH21 ARG 6 24.146 36.911 30.661
50 HH22 ARG 6 HH22 ARG 6 24.981 38.028 31.756
51 H ARG 7 H ARG 7 25.704 30.542 29.695
52 HA ARG 7 HA ARG 7 28.046 32.250 29.967
53 HB2 ARG 7 HB2 ARG 7 27.616 29.404 28.969
54 HB3 ARG 7 HB3 ARG 7 29.216 30.160 29.064
55 HG2 ARG 7 HG2 ARG 7 29.083 30.432 31.433
56 HG3 ARG 7 HG3 ARG 7 27.363 30.044 31.469
57 HD2 ARG 7 HD2 ARG 7 27.945 27.744 30.628
58 HD3 ARG 7 HD3 ARG 7 29.649 28.138 30.896
59 HE ARG 7 HE ARG 7 29.068 28.530 33.306
60 HH11 ARG 7 HH11 ARG 7 26.848 26.427 31.533
61 HH12 ARG 7 HH12 ARG 7 26.070 25.909 33.007
62 HH21 ARG 7 HH21 ARG 7 28.131 27.777 35.042
63 HH22 ARG 7 HH22 ARG 7 26.787 26.648 34.962
64 H CYS 8 H CYS 8 26.192 31.108 27.143
65 HA CYS 8 HA CYS 8 28.052 32.179 25.176
66 HB2 CYS 8 HB2 CYS 8 26.362 30.506 24.557
67 HB3 CYS 8 HB3 CYS 8 25.072 31.611 25.038
68 H GLU 9 H GLU 9 25.011 33.481 26.615
69 HA GLU 9 HA GLU 9 25.242 35.920 25.062
70 HB2 GLU 9 HB2 GLU 9 23.274 36.650 26.173
71 HB3 GLU 9 HB3 GLU 9 23.119 34.981 25.610
72 HG2 GLU 9 HG2 GLU 9 22.395 34.344 27.565
73 HG3 GLU 9 HG3 GLU 9 23.911 34.842 28.332
74 H LEU 10 H LEU 10 26.373 35.058 28.228
75 HA LEU 10 HA LEU 10 27.003 37.614 29.312
76 HB2 LEU 10 HB2 LEU 10 27.100 35.703 30.707
77 HB3 LEU 10 HB3 LEU 10 27.992 34.765 29.511
78 HG LEU 10 HG LEU 10 29.943 36.056 29.844
79 HD11 LEU 10 HD11 LEU 10 28.466 37.355 32.195
80 HD12 LEU 10 HD12 LEU 10 30.196 37.546 31.838
81 HD13 LEU 10 HD13 LEU 10 28.993 38.205 30.727
82 HD21 LEU 10 HD21 LEU 10 29.616 33.976 31.081
83 HD22 LEU 10 HD22 LEU 10 30.548 35.123 32.050
84 HD23 LEU 10 HD23 LEU 10 28.827 34.862 32.407
85 H SER 11 H SER 11 28.859 35.447 27.098
86 HA SER 11 HA SER 11 31.170 37.124 26.821
87 HB2 SER 11 HB2 SER 11 31.083 34.733 26.204
88 HB3 SER 11 HB3 SER 11 29.955 35.107 24.894
89 HG SER 11 HG SER 11 31.817 35.081 23.916
90 H CYS 12 H CYS 12 28.070 37.059 25.113
91 HA CYS 12 HA CYS 12 28.729 39.137 23.201
92 HB2 CYS 12 HB2 CYS 12 26.057 38.012 24.114
93 HB3 CYS 12 HB3 CYS 12 26.327 38.999 22.683
94 H ARG 13 H ARG 13 26.913 39.189 26.378
95 HA ARG 13 HA ARG 13 26.322 41.958 26.372
96 HB2 ARG 13 HB2 ARG 13 26.680 39.846 28.532
97 HB3 ARG 13 HB3 ARG 13 26.200 41.507 28.880
98 HG2 ARG 13 HG2 ARG 13 24.158 41.345 27.679
99 HG3 ARG 13 HG3 ARG 13 24.671 39.890 26.838
100 HD2 ARG 13 HD2 ARG 13 23.103 39.180 28.424
101 HD3 ARG 13 HD3 ARG 13 24.679 38.649 29.019
102 HE ARG 13 HE ARG 13 24.436 40.992 30.332
103 HH11 ARG 13 HH11 ARG 13 22.151 38.308 30.092
104 HH12 ARG 13 HH12 ARG 13 21.160 38.961 31.394
105 HH21 ARG 13 HH21 ARG 13 23.297 41.352 32.347
106 HH22 ARG 13 HH22 ARG 13 21.778 40.514 32.566
107 H SER 14 H SER 14 29.254 40.238 27.395
108 HA SER 14 HA SER 14 30.726 42.497 28.343
109 HB2 SER 14 HB2 SER 14 31.606 39.916 27.007
110 HB3 SER 14 HB3 SER 14 32.744 41.107 27.638
111 HG SER 14 HG SER 14 31.780 39.193 28.989
112 H LEU 15 H LEU 15 29.522 42.083 25.183
113 HA LEU 15 HA LEU 15 31.254 44.301 24.185
114 HB2 LEU 15 HB2 LEU 15 29.895 42.095 22.593
115 HB3 LEU 15 HB3 LEU 15 30.802 43.436 21.902
116 HG LEU 15 HG LEU 15 32.012 41.286 23.699
117 HD11 LEU 15 HD11 LEU 15 31.233 40.331 21.579
118 HD12 LEU 15 HD12 LEU 15 32.072 41.608 20.672
119 HD13 LEU 15 HD13 LEU 15 33.008 40.422 21.607
120 HD21 LEU 15 HD21 LEU 15 34.167 42.133 22.870
121 HD22 LEU 15 HD22 LEU 15 33.331 43.378 21.918
122 HD23 LEU 15 HD23 LEU 15 33.287 43.431 23.695
123 H GLY 16 H GLY 16 28.222 43.623 25.359
124 HA2 GLY 16 HA2 GLY 16 26.436 45.106 25.547
125 HA3 GLY 16 HA3 GLY 16 26.953 45.977 24.110
126 H LEU 17 H LEU 17 26.989 42.870 23.030
127 HA LEU 17 HA LEU 17 24.440 42.789 21.722
128 HB2 LEU 17 HB2 LEU 17 26.821 40.968 22.113
129 HB3 LEU 17 HB3 LEU 17 25.322 40.369 21.394
130 HG LEU 17 HG LEU 17 25.477 41.966 19.747
131 HD11 LEU 17 HD11 LEU 17 27.617 43.213 19.214
132 HD12 LEU 17 HD12 LEU 17 26.760 43.840 20.611
133 HD13 LEU 17 HD13 LEU 17 28.190 42.795 20.840
134 HD21 LEU 17 HD21 LEU 17 27.991 40.309 20.002
135 HD22 LEU 17 HD22 LEU 17 26.419 39.785 19.349
136 HD23 LEU 17 HD23 LEU 17 27.379 40.976 18.472
137 H LEU 18 H LEU 18 22.854 41.174 21.966
138 HA LEU 18 HA LEU 18 22.554 39.879 24.658
139 HB2 LEU 18 HB2 LEU 18 20.389 40.660 22.670
140 HB3 LEU 18 HB3 LEU 18 20.134 39.919 24.238
141 HG LEU 18 HG LEU 18 21.210 42.731 23.711
142 HD11 LEU 18 HD11 LEU 18 18.786 42.390 23.318
143 HD12 LEU 18 HD12 LEU 18 18.611 41.762 24.971
144 HD13 LEU 18 HD13 LEU 18 19.100 43.453 24.695
145 HD21 LEU 18 HD21 LEU 18 21.062 43.092 26.132
146 HD22 LEU 18 HD22 LEU 18 20.599 41.403 26.395
147 HD23 LEU 18 HD23 LEU 18 22.228 41.825 25.793
148 H GLY 19 H GLY 19 21.775 37.621 24.618
149 HA2 GLY 19 HA2 GLY 19 22.243 36.268 21.972
150 HA3 GLY 19 HA3 GLY 19 22.866 35.625 23.474
151 H LYS 20 H LYS 20 21.196 34.305 21.565
152 HA LYS 20 HA LYS 20 19.123 33.302 23.421
153 HB2 LYS 20 HB2 LYS 20 17.336 33.317 21.858
154 HB3 LYS 20 HB3 LYS 20 17.927 34.935 22.197
155 HG2 LYS 20 HG2 LYS 20 19.240 34.803 19.972
156 HG3 LYS 20 HG3 LYS 20 18.359 33.299 19.673
157 HD2 LYS 20 HD2 LYS 20 17.156 35.043 18.559
158 HD3 LYS 20 HD3 LYS 20 16.199 34.582 19.985
159 HE2 LYS 20 HE2 LYS 20 17.097 36.501 21.239
160 HE3 LYS 20 HE3 LYS 20 18.172 36.918 19.905
161 HZ1 LYS 20 HZ1 LYS 20 15.198 37.051 19.794
162 HZ2 LYS 20 HZ2 LYS 20 16.231 38.305 20.006
163 HZ3 LYS 20 HZ3 LYS 20 16.228 37.498 18.580
164 H CYS 21 H CYS 21 18.638 31.153 23.215
165 HA CYS 21 HA CYS 21 20.452 29.495 21.581
166 HB2 CYS 21 HB2 CYS 21 19.925 28.799 23.849
167 HB3 CYS 21 HB3 CYS 21 18.203 28.732 23.463
168 H ILE 22 H ILE 22 20.048 28.896 19.559
169 HA ILE 22 HA ILE 22 17.387 29.183 18.316
170 HB ILE 22 HB ILE 22 19.990 28.108 17.158
171 HG12 ILE 22 HG12 ILE 22 20.501 30.355 17.884
172 HG13 ILE 22 HG13 ILE 22 20.366 30.312 16.140
173 HG21 ILE 22 HG21 ILE 22 17.453 29.176 15.849
174 HG22 ILE 22 HG22 ILE 22 18.949 28.799 14.977
175 HG23 ILE 22 HG23 ILE 22 18.050 27.525 15.780
176 HD11 ILE 22 HD11 ILE 22 18.262 31.403 18.055
177 HD12 ILE 22 HD12 ILE 22 19.339 32.346 17.020
178 HD13 ILE 22 HD13 ILE 22 18.087 31.339 16.286
179 H GLY 23 H GLY 23 19.322 26.759 19.814
180 HA2 GLY 23 HA2 GLY 23 17.713 24.953 20.726
181 HA3 GLY 23 HA3 GLY 23 17.529 24.499 19.030
182 H GLU 24 H GLU 24 19.676 24.288 17.846
183 HA GLU 24 HA GLU 24 21.473 22.421 19.284
184 HB2 GLU 24 HB2 GLU 24 21.458 23.236 16.346
185 HB3 GLU 24 HB3 GLU 24 22.259 21.854 17.082
186 HG2 GLU 24 HG2 GLU 24 19.271 22.211 16.746
187 HG3 GLU 24 HG3 GLU 24 20.323 21.123 15.847
188 H GLU 25 H GLU 25 21.413 25.701 18.194
189 HA GLU 25 HA GLU 25 24.258 26.125 18.986
190 HB2 GLU 25 HB2 GLU 25 22.862 27.357 16.581
191 HB3 GLU 25 HB3 GLU 25 24.494 27.720 17.109
192 HG2 GLU 25 HG2 GLU 25 23.518 25.063 15.988
193 HG3 GLU 25 HG3 GLU 25 24.444 26.282 15.131
194 H CYS 26 H CYS 26 24.734 28.375 19.463
195 HA CYS 26 HA CYS 26 22.442 29.964 20.541
196 HB2 CYS 26 HB2 CYS 26 24.239 29.357 22.154
197 HB3 CYS 26 HB3 CYS 26 25.427 30.090 21.079
198 H LYS 27 H LYS 27 22.201 32.170 19.807
199 HA LYS 27 HA LYS 27 24.278 33.245 17.972
200 HB2 LYS 27 HB2 LYS 27 22.312 32.278 16.686
201 HB3 LYS 27 HB3 LYS 27 21.283 33.468 17.495
202 HG2 LYS 27 HG2 LYS 27 22.610 35.305 16.518
203 HG3 LYS 27 HG3 LYS 27 23.708 34.145 15.749
204 HD2 LYS 27 HD2 LYS 27 20.713 34.243 15.267
205 HD3 LYS 27 HD3 LYS 27 21.898 35.163 14.305
206 HE2 LYS 27 HE2 LYS 27 23.055 32.811 13.980
207 HE3 LYS 27 HE3 LYS 27 21.477 32.162 14.445
208 HZ1 LYS 27 HZ1 LYS 27 22.144 33.885 12.138
209 HZ2 LYS 27 HZ2 LYS 27 21.440 32.378 12.116
210 HZ3 LYS 27 HZ3 LYS 27 20.582 33.690 12.630
211 H CYS 28 H CYS 28 24.603 35.433 18.136
212 HA CYS 28 HA CYS 28 23.003 36.907 20.172
213 HB2 CYS 28 HB2 CYS 28 25.943 37.110 19.512
214 HB3 CYS 28 HB3 CYS 28 25.073 38.304 20.490
215 H VAL 29 H VAL 29 22.683 39.114 19.939
216 HA VAL 29 HA VAL 29 22.734 40.256 17.202
217 HB VAL 29 HB VAL 29 20.332 40.877 17.446
218 HG11 VAL 29 HG11 VAL 29 20.714 37.871 17.483
219 HG12 VAL 29 HG12 VAL 29 19.397 38.797 16.736
220 HG13 VAL 29 HG13 VAL 29 21.043 38.921 16.086
221 HG21 VAL 29 HG21 VAL 29 20.246 38.892 19.745
222 HG22 VAL 29 HG22 VAL 29 20.057 40.653 19.888
223 HG23 VAL 29 HG23 VAL 29 18.866 39.705 18.982
224 HA PRO 30 HA PRO 30 23.428 44.033 19.464
225 HB2 PRO 30 HB2 PRO 30 22.305 45.957 17.880
226 HB3 PRO 30 HB3 PRO 30 23.824 45.097 17.469
227 HG2 PRO 30 HG2 PRO 30 21.005 44.450 16.525
228 HG3 PRO 30 HG3 PRO 30 22.492 44.638 15.533
229 HD2 PRO 30 HD2 PRO 30 21.627 42.199 16.292
230 HD3 PRO 30 HD3 PRO 30 23.376 42.576 16.297
231 H ALA 31 H ALA 31 22.459 45.620 20.725
232 HA ALA 31 HA ALA 31 20.068 44.888 22.078
233 HB1 ALA 31 HB1 ALA 31 21.984 46.098 23.073
234 HB2 ALA 31 HB2 ALA 31 21.596 47.536 22.104
235 HB3 ALA 31 HB3 ALA 31 20.462 46.953 23.338
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 18.680 17.461 27.606
2 H2 ALA 1 H2 ALA 1 17.962 18.352 26.424
3 H3 ALA 1 H3 ALA 1 18.135 18.964 27.936
4 HA ALA 1 HA ALA 1 20.541 18.886 27.719
5 HB1 ALA 1 HB1 ALA 1 19.894 18.153 24.830
6 HB2 ALA 1 HB2 ALA 1 21.496 18.568 25.454
7 HB3 ALA 1 HB3 ALA 1 20.683 17.105 26.020
8 H PHE 2 H PHE 2 21.168 20.949 27.831
9 HA PHE 2 HA PHE 2 19.436 23.053 26.829
10 HB2 PHE 2 HB2 PHE 2 22.070 23.129 28.340
11 HB3 PHE 2 HB3 PHE 2 20.997 24.493 28.111
12 HD1 PHE 2 HD1 PHE 2 21.983 22.246 30.523
13 HD2 PHE 2 HD2 PHE 2 18.384 23.889 28.804
14 HE1 PHE 2 HE1 PHE 2 20.758 21.772 32.626
15 HE2 PHE 2 HE2 PHE 2 17.158 23.385 30.898
16 HZ PHE 2 HZ PHE 2 18.342 22.325 32.812
17 H CYS 3 H CYS 3 20.753 25.145 26.099
18 HA CYS 3 HA CYS 3 22.437 24.490 23.741
19 HB2 CYS 3 HB2 CYS 3 21.175 26.328 22.584
20 HB3 CYS 3 HB3 CYS 3 20.311 24.831 22.886
21 H ASN 4 H ASN 4 23.118 25.390 26.508
22 HA ASN 4 HA ASN 4 24.600 26.668 27.580
23 HB2 ASN 4 HB2 ASN 4 25.788 26.356 24.856
24 HB3 ASN 4 HB3 ASN 4 26.579 27.480 25.941
25 HD21 ASN 4 HD21 ASN 4 26.540 23.529 27.039
26 HD22 ASN 4 HD22 ASN 4 25.393 24.077 25.837
27 H LEU 5 H LEU 5 22.252 28.151 26.596
28 HA LEU 5 HA LEU 5 22.795 30.808 25.967
29 HB2 LEU 5 HB2 LEU 5 20.623 29.694 26.074
30 HB3 LEU 5 HB3 LEU 5 20.645 29.728 27.831
31 HG LEU 5 HG LEU 5 20.939 32.303 26.260
32 HD11 LEU 5 HD11 LEU 5 18.314 30.900 26.806
33 HD12 LEU 5 HD12 LEU 5 18.501 32.562 26.198
34 HD13 LEU 5 HD13 LEU 5 19.044 31.198 25.208
35 HD21 LEU 5 HD21 LEU 5 21.067 32.340 28.802
36 HD22 LEU 5 HD22 LEU 5 19.674 33.228 28.187
37 HD23 LEU 5 HD23 LEU 5 19.460 31.597 28.858
38 H ARG 6 H ARG 6 23.101 29.241 29.155
39 HA ARG 6 HA ARG 6 23.262 31.490 30.795
40 HB2 ARG 6 HB2 ARG 6 24.258 29.934 32.423
41 HB3 ARG 6 HB3 ARG 6 22.903 29.196 31.576
42 HG2 ARG 6 HG2 ARG 6 24.518 27.991 30.067
43 HG3 ARG 6 HG3 ARG 6 25.864 28.694 30.970
44 HD2 ARG 6 HD2 ARG 6 23.702 26.961 32.224
45 HD3 ARG 6 HD3 ARG 6 25.245 26.351 31.594
46 HE ARG 6 HE ARG 6 25.556 28.554 33.488
47 HH11 ARG 6 HH11 ARG 6 25.209 25.077 33.313
48 HH12 ARG 6 HH12 ARG 6 25.984 24.858 34.876
49 HH21 ARG 6 HH21 ARG 6 26.580 28.147 35.421
50 HH22 ARG 6 HH22 ARG 6 27.004 26.487 35.834
51 H ARG 7 H ARG 7 25.941 30.134 28.905
52 HA ARG 7 HA ARG 7 27.750 32.266 30.023
53 HB2 ARG 7 HB2 ARG 7 29.565 31.121 29.092
54 HB3 ARG 7 HB3 ARG 7 28.591 29.924 29.952
55 HG2 ARG 7 HG2 ARG 7 27.672 29.138 27.766
56 HG3 ARG 7 HG3 ARG 7 28.701 30.306 26.919
57 HD2 ARG 7 HD2 ARG 7 29.635 28.001 28.651
58 HD3 ARG 7 HD3 ARG 7 29.676 28.063 26.896
59 HE ARG 7 HE ARG 7 31.207 30.138 27.244
60 HH11 ARG 7 HH11 ARG 7 31.230 27.676 29.737
61 HH12 ARG 7 HH12 ARG 7 32.955 27.723 29.909
62 HH21 ARG 7 HH21 ARG 7 33.435 30.142 27.506
63 HH22 ARG 7 HH22 ARG 7 34.165 29.007 28.622
64 H CYS 8 H CYS 8 26.094 31.245 27.156
65 HA CYS 8 HA CYS 8 27.300 32.867 25.196
66 HB2 CYS 8 HB2 CYS 8 25.715 31.094 24.720
67 HB3 CYS 8 HB3 CYS 8 24.464 31.951 25.607
68 H GLU 9 H GLU 9 24.481 33.724 27.313
69 HA GLU 9 HA GLU 9 24.004 36.369 26.443
70 HB2 GLU 9 HB2 GLU 9 23.871 35.045 29.179
71 HB3 GLU 9 HB3 GLU 9 23.281 36.674 28.908
72 HG2 GLU 9 HG2 GLU 9 22.219 34.414 27.182
73 HG3 GLU 9 HG3 GLU 9 21.666 34.615 28.851
74 H LEU 10 H LEU 10 26.400 35.202 28.789
75 HA LEU 10 HA LEU 10 27.340 37.677 29.823
76 HB2 LEU 10 HB2 LEU 10 28.853 35.071 29.719
77 HB3 LEU 10 HB3 LEU 10 28.886 36.337 30.895
78 HG LEU 10 HG LEU 10 26.796 34.344 30.487
79 HD11 LEU 10 HD11 LEU 10 27.405 33.748 32.837
80 HD12 LEU 10 HD12 LEU 10 28.814 33.704 31.758
81 HD13 LEU 10 HD13 LEU 10 28.568 35.097 32.831
82 HD21 LEU 10 HD21 LEU 10 25.563 36.403 31.097
83 HD22 LEU 10 HD22 LEU 10 25.609 35.328 32.491
84 HD23 LEU 10 HD23 LEU 10 26.717 36.715 32.414
85 H SER 11 H SER 11 28.556 35.401 27.372
86 HA SER 11 HA SER 11 30.958 36.829 26.717
87 HB2 SER 11 HB2 SER 11 30.636 34.435 26.506
88 HB3 SER 11 HB3 SER 11 29.378 34.668 25.297
89 HG SER 11 HG SER 11 32.015 34.509 24.944
90 H CYS 12 H CYS 12 27.679 36.890 25.287
91 HA CYS 12 HA CYS 12 28.401 38.663 23.087
92 HB2 CYS 12 HB2 CYS 12 25.673 38.176 24.334
93 HB3 CYS 12 HB3 CYS 12 26.006 38.893 22.749
94 H ARG 13 H ARG 13 27.478 39.129 26.480
95 HA ARG 13 HA ARG 13 26.907 41.901 26.500
96 HB2 ARG 13 HB2 ARG 13 26.942 39.967 28.346
97 HB3 ARG 13 HB3 ARG 13 28.522 40.641 28.722
98 HG2 ARG 13 HG2 ARG 13 27.602 42.735 29.353
99 HG3 ARG 13 HG3 ARG 13 26.034 42.384 28.609
100 HD2 ARG 13 HD2 ARG 13 27.186 40.755 30.914
101 HD3 ARG 13 HD3 ARG 13 26.122 42.146 31.154
102 HE ARG 13 HE ARG 13 24.644 40.675 29.424
103 HH11 ARG 13 HH11 ARG 13 26.182 39.570 32.436
104 HH12 ARG 13 HH12 ARG 13 24.766 38.626 32.838
105 HH21 ARG 13 HH21 ARG 13 23.082 39.203 29.912
106 HH22 ARG 13 HH22 ARG 13 23.273 38.178 31.308
107 H SER 14 H SER 14 30.006 40.260 26.246
108 HA SER 14 HA SER 14 31.775 42.489 26.689
109 HB2 SER 14 HB2 SER 14 32.425 40.076 26.649
110 HB3 SER 14 HB3 SER 14 32.166 40.069 24.897
111 HG SER 14 HG SER 14 34.334 40.363 25.374
112 H LEU 15 H LEU 15 29.779 41.693 23.927
113 HA LEU 15 HA LEU 15 30.981 43.887 22.297
114 HB2 LEU 15 HB2 LEU 15 29.181 41.579 21.501
115 HB3 LEU 15 HB3 LEU 15 29.788 42.824 20.404
116 HG LEU 15 HG LEU 15 31.489 40.775 21.901
117 HD11 LEU 15 HD11 LEU 15 31.821 39.779 19.687
118 HD12 LEU 15 HD12 LEU 15 30.102 39.797 20.110
119 HD13 LEU 15 HD13 LEU 15 30.744 40.991 18.958
120 HD21 LEU 15 HD21 LEU 15 32.795 42.821 21.503
121 HD22 LEU 15 HD22 LEU 15 33.316 41.539 20.405
122 HD23 LEU 15 HD23 LEU 15 32.271 42.842 19.801
123 H GLY 16 H GLY 16 28.418 43.335 24.411
124 HA2 GLY 16 HA2 GLY 16 27.015 45.038 25.168
125 HA3 GLY 16 HA3 GLY 16 27.187 45.909 23.646
126 H LEU 17 H LEU 17 26.208 42.501 23.588
127 HA LEU 17 HA LEU 17 23.366 43.243 23.272
128 HB2 LEU 17 HB2 LEU 17 23.122 42.253 21.154
129 HB3 LEU 17 HB3 LEU 17 24.366 43.474 21.029
130 HG LEU 17 HG LEU 17 24.852 40.473 21.254
131 HD11 LEU 17 HD11 LEU 17 25.253 40.556 18.811
132 HD12 LEU 17 HD12 LEU 17 23.597 41.011 19.203
133 HD13 LEU 17 HD13 LEU 17 24.773 42.267 18.783
134 HD21 LEU 17 HD21 LEU 17 26.867 41.715 21.818
135 HD22 LEU 17 HD22 LEU 17 27.066 41.036 20.210
136 HD23 LEU 17 HD23 LEU 17 26.678 42.763 20.395
137 H LEU 18 H LEU 18 21.992 41.235 22.824
138 HA LEU 18 HA LEU 18 22.355 39.556 25.207
139 HB2 LEU 18 HB2 LEU 18 20.099 39.644 23.176
140 HB3 LEU 18 HB3 LEU 18 20.052 38.886 24.765
141 HG LEU 18 HG LEU 18 20.250 41.884 24.211
142 HD11 LEU 18 HD11 LEU 18 18.045 40.912 23.715
143 HD12 LEU 18 HD12 LEU 18 17.984 40.185 25.337
144 HD13 LEU 18 HD13 LEU 18 17.981 41.952 25.143
145 HD21 LEU 18 HD21 LEU 18 20.004 40.393 26.862
146 HD22 LEU 18 HD22 LEU 18 21.406 41.350 26.320
147 HD23 LEU 18 HD23 LEU 18 19.869 42.151 26.645
148 H GLY 19 H GLY 19 21.783 37.202 25.070
149 HA2 GLY 19 HA2 GLY 19 22.817 35.860 22.580
150 HA3 GLY 19 HA3 GLY 19 22.965 35.195 24.202
151 H LYS 20 H LYS 20 21.458 34.432 21.554
152 HA LYS 20 HA LYS 20 18.972 33.478 22.929
153 HB2 LYS 20 HB2 LYS 20 18.325 35.363 21.530
154 HB3 LYS 20 HB3 LYS 20 19.170 34.681 20.139
155 HG2 LYS 20 HG2 LYS 20 17.612 32.763 20.118
156 HG3 LYS 20 HG3 LYS 20 16.753 33.420 21.510
157 HD2 LYS 20 HD2 LYS 20 17.022 34.743 18.779
158 HD3 LYS 20 HD3 LYS 20 15.641 33.792 19.299
159 HE2 LYS 20 HE2 LYS 20 16.529 36.451 20.501
160 HE3 LYS 20 HE3 LYS 20 15.171 36.185 19.407
161 HZ1 LYS 20 HZ1 LYS 20 14.344 34.605 21.234
162 HZ2 LYS 20 HZ2 LYS 20 15.428 35.339 22.225
163 HZ3 LYS 20 HZ3 LYS 20 14.213 36.203 21.516
164 H CYS 21 H CYS 21 18.525 31.350 22.627
165 HA CYS 21 HA CYS 21 20.386 29.668 21.155
166 HB2 CYS 21 HB2 CYS 21 17.732 29.004 22.415
167 HB3 CYS 21 HB3 CYS 21 18.818 27.856 21.620
168 H ILE 22 H ILE 22 20.480 29.204 19.152
169 HA ILE 22 HA ILE 22 18.095 29.251 17.351
170 HB ILE 22 HB ILE 22 21.002 29.505 16.625
171 HG12 ILE 22 HG12 ILE 22 20.386 31.588 17.709
172 HG13 ILE 22 HG13 ILE 22 20.597 31.838 15.994
173 HG21 ILE 22 HG21 ILE 22 19.763 28.456 14.827
174 HG22 ILE 22 HG22 ILE 22 18.495 29.689 14.920
175 HG23 ILE 22 HG23 ILE 22 20.120 30.122 14.353
176 HD11 ILE 22 HD11 ILE 22 18.670 33.091 16.855
177 HD12 ILE 22 HD12 ILE 22 18.143 31.897 15.657
178 HD13 ILE 22 HD13 ILE 22 17.900 31.594 17.397
179 H GLY 23 H GLY 23 17.576 27.320 18.280
180 HA2 GLY 23 HA2 GLY 23 17.327 25.002 18.256
181 HA3 GLY 23 HA3 GLY 23 18.698 24.875 17.166
182 H GLU 24 H GLU 24 20.193 23.687 17.985
183 HA GLU 24 HA GLU 24 20.591 22.983 20.756
184 HB2 GLU 24 HB2 GLU 24 22.355 21.603 19.799
185 HB3 GLU 24 HB3 GLU 24 20.897 21.447 18.844
186 HG2 GLU 24 HG2 GLU 24 22.832 23.565 17.912
187 HG3 GLU 24 HG3 GLU 24 23.408 21.927 17.861
188 H GLU 25 H GLU 25 21.447 25.869 19.433
189 HA GLU 25 HA GLU 25 24.004 26.187 20.907
190 HB2 GLU 25 HB2 GLU 25 24.667 25.210 18.831
191 HB3 GLU 25 HB3 GLU 25 23.562 26.236 17.914
192 HG2 GLU 25 HG2 GLU 25 24.982 28.204 18.362
193 HG3 GLU 25 HG3 GLU 25 26.060 27.197 19.342
194 H CYS 26 H CYS 26 24.332 28.217 21.632
195 HA CYS 26 HA CYS 26 22.286 30.248 20.960
196 HB2 CYS 26 HB2 CYS 26 22.487 29.648 23.261
197 HB3 CYS 26 HB3 CYS 26 24.206 30.000 23.270
198 H LYS 27 H LYS 27 22.615 32.154 20.160
199 HA LYS 27 HA LYS 27 25.324 33.047 19.240
200 HB2 LYS 27 HB2 LYS 27 22.766 32.715 17.607
201 HB3 LYS 27 HB3 LYS 27 24.105 33.741 17.090
202 HG2 LYS 27 HG2 LYS 27 25.645 31.827 17.110
203 HG3 LYS 27 HG3 LYS 27 24.353 30.751 17.656
204 HD2 LYS 27 HD2 LYS 27 23.132 31.008 15.596
205 HD3 LYS 27 HD3 LYS 27 24.208 32.319 15.048
206 HE2 LYS 27 HE2 LYS 27 26.107 30.804 14.937
207 HE3 LYS 27 HE3 LYS 27 25.164 29.480 15.624
208 HZ1 LYS 27 HZ1 LYS 27 23.870 29.338 13.665
209 HZ2 LYS 27 HZ2 LYS 27 24.412 30.778 13.073
210 HZ3 LYS 27 HZ3 LYS 27 25.418 29.498 13.120
211 H CYS 28 H CYS 28 25.424 35.386 18.739
212 HA CYS 28 HA CYS 28 23.937 36.776 20.846
213 HB2 CYS 28 HB2 CYS 28 26.006 38.006 19.023
214 HB3 CYS 28 HB3 CYS 28 25.395 38.610 20.540
215 H VAL 29 H VAL 29 22.415 38.390 20.631
216 HA VAL 29 HA VAL 29 21.478 39.090 17.898
217 HB VAL 29 HB VAL 29 19.160 38.729 18.527
218 HG11 VAL 29 HG11 VAL 29 20.475 36.958 17.342
219 HG12 VAL 29 HG12 VAL 29 20.778 36.174 18.900
220 HG13 VAL 29 HG13 VAL 29 19.119 36.337 18.286
221 HG21 VAL 29 HG21 VAL 29 18.527 37.406 20.470
222 HG22 VAL 29 HG22 VAL 29 20.212 37.344 21.039
223 HG23 VAL 29 HG23 VAL 29 19.319 38.878 21.000
224 HA PRO 30 HA PRO 30 21.093 43.187 19.547
225 HB2 PRO 30 HB2 PRO 30 18.812 43.498 17.599
226 HB3 PRO 30 HB3 PRO 30 20.220 44.581 17.872
227 HG2 PRO 30 HG2 PRO 30 20.185 42.924 15.734
228 HG3 PRO 30 HG3 PRO 30 21.682 43.079 16.710
229 HD2 PRO 30 HD2 PRO 30 19.563 40.913 16.866
230 HD3 PRO 30 HD3 PRO 30 21.345 40.764 16.779
231 H ALA 31 H ALA 31 19.827 44.478 20.881
232 HA ALA 31 HA ALA 31 17.632 43.212 22.330
233 HB1 ALA 31 HB1 ALA 31 19.389 44.498 23.479
234 HB2 ALA 31 HB2 ALA 31 18.895 45.971 22.612
235 HB3 ALA 31 HB3 ALA 31 17.787 45.197 23.760
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 26.910 18.615 20.542
2 H2 ALA 1 H2 ALA 1 25.318 18.243 20.721
3 H3 ALA 1 H3 ALA 1 26.261 18.538 22.050
4 HA ALA 1 HA ALA 1 26.567 20.822 21.376
5 HB1 ALA 1 HB1 ALA 1 24.685 20.024 19.111
6 HB2 ALA 1 HB2 ALA 1 25.135 21.686 19.501
7 HB3 ALA 1 HB3 ALA 1 26.377 20.535 18.965
8 H PHE 2 H PHE 2 25.495 22.077 22.795
9 HA PHE 2 HA PHE 2 22.584 21.854 23.149
10 HB2 PHE 2 HB2 PHE 2 24.508 21.675 25.500
11 HB3 PHE 2 HB3 PHE 2 22.767 21.834 25.605
12 HD1 PHE 2 HD1 PHE 2 21.280 19.938 24.717
13 HD2 PHE 2 HD2 PHE 2 25.511 19.521 25.402
14 HE1 PHE 2 HE1 PHE 2 21.032 17.463 24.762
15 HE2 PHE 2 HE2 PHE 2 25.264 17.059 25.445
16 HZ PHE 2 HZ PHE 2 23.020 16.018 25.146
17 H CYS 3 H CYS 3 21.631 23.767 23.938
18 HA CYS 3 HA CYS 3 23.168 26.225 23.584
19 HB2 CYS 3 HB2 CYS 3 20.333 25.580 24.406
20 HB3 CYS 3 HB3 CYS 3 20.966 27.214 24.450
21 H ASN 4 H ASN 4 24.799 26.348 25.127
22 HA ASN 4 HA ASN 4 24.120 26.409 28.028
23 HB2 ASN 4 HB2 ASN 4 26.776 26.926 26.625
24 HB3 ASN 4 HB3 ASN 4 26.510 26.736 28.360
25 HD21 ASN 4 HD21 ASN 4 25.842 23.110 27.891
26 HD22 ASN 4 HD22 ASN 4 24.906 24.437 28.548
27 H LEU 5 H LEU 5 22.540 28.020 26.965
28 HA LEU 5 HA LEU 5 23.232 30.402 25.870
29 HB2 LEU 5 HB2 LEU 5 20.987 29.317 25.952
30 HB3 LEU 5 HB3 LEU 5 20.779 29.926 27.591
31 HG LEU 5 HG LEU 5 20.771 32.237 26.779
32 HD11 LEU 5 HD11 LEU 5 21.272 31.028 24.041
33 HD12 LEU 5 HD12 LEU 5 20.751 32.710 24.357
34 HD13 LEU 5 HD13 LEU 5 22.316 32.168 24.926
35 HD21 LEU 5 HD21 LEU 5 18.661 31.051 26.817
36 HD22 LEU 5 HD22 LEU 5 18.704 32.127 25.418
37 HD23 LEU 5 HD23 LEU 5 18.954 30.386 25.204
38 H ARG 6 H ARG 6 23.138 29.908 29.421
39 HA ARG 6 HA ARG 6 23.486 32.664 30.125
40 HB2 ARG 6 HB2 ARG 6 22.908 30.782 31.687
41 HB3 ARG 6 HB3 ARG 6 24.566 30.185 31.507
42 HG2 ARG 6 HG2 ARG 6 25.348 32.466 32.421
43 HG3 ARG 6 HG3 ARG 6 23.649 32.814 32.756
44 HD2 ARG 6 HD2 ARG 6 24.638 31.945 34.788
45 HD3 ARG 6 HD3 ARG 6 23.554 30.720 34.137
46 HE ARG 6 HE ARG 6 25.341 29.291 33.799
47 HH11 ARG 6 HH11 ARG 6 27.441 28.564 34.148
48 HH12 ARG 6 HH12 ARG 6 28.720 29.740 34.335
49 HH21 ARG 6 HH21 ARG 6 26.777 32.503 34.390
50 HH22 ARG 6 HH22 ARG 6 28.378 31.768 34.482
51 H ARG 7 H ARG 7 25.931 30.143 29.449
52 HA ARG 7 HA ARG 7 28.228 31.898 29.840
53 HB2 ARG 7 HB2 ARG 7 27.854 29.185 28.496
54 HB3 ARG 7 HB3 ARG 7 29.391 30.033 28.476
55 HG2 ARG 7 HG2 ARG 7 29.498 30.048 30.925
56 HG3 ARG 7 HG3 ARG 7 27.926 29.226 31.020
57 HD2 ARG 7 HD2 ARG 7 28.825 27.299 29.799
58 HD3 ARG 7 HD3 ARG 7 30.376 28.129 29.571
59 HE ARG 7 HE ARG 7 29.951 28.011 32.365
60 HH11 ARG 7 HH11 ARG 7 30.456 25.647 29.774
61 HH12 ARG 7 HH12 ARG 7 30.970 24.445 30.973
62 HH21 ARG 7 HH21 ARG 7 30.744 26.481 33.651
63 HH22 ARG 7 HH22 ARG 7 31.177 24.870 32.995
64 H CYS 8 H CYS 8 26.202 31.112 27.036
65 HA CYS 8 HA CYS 8 27.734 32.623 25.110
66 HB2 CYS 8 HB2 CYS 8 24.751 32.062 25.177
67 HB3 CYS 8 HB3 CYS 8 25.676 32.600 23.788
68 H GLU 9 H GLU 9 24.857 33.499 27.113
69 HA GLU 9 HA GLU 9 24.556 36.113 26.135
70 HB2 GLU 9 HB2 GLU 9 23.702 34.756 28.712
71 HB3 GLU 9 HB3 GLU 9 23.482 36.484 28.499
72 HG2 GLU 9 HG2 GLU 9 22.236 36.053 26.360
73 HG3 GLU 9 HG3 GLU 9 22.285 34.327 26.716
74 H LEU 10 H LEU 10 26.512 35.047 28.949
75 HA LEU 10 HA LEU 10 27.191 37.740 29.727
76 HB2 LEU 10 HB2 LEU 10 28.474 36.803 31.432
77 HB3 LEU 10 HB3 LEU 10 27.093 35.759 31.207
78 HG LEU 10 HG LEU 10 28.764 34.354 29.693
79 HD11 LEU 10 HD11 LEU 10 30.650 35.725 31.676
80 HD12 LEU 10 HD12 LEU 10 31.059 34.369 30.603
81 HD13 LEU 10 HD13 LEU 10 30.695 35.956 29.924
82 HD21 LEU 10 HD21 LEU 10 27.672 33.535 31.745
83 HD22 LEU 10 HD22 LEU 10 29.369 33.029 31.708
84 HD23 LEU 10 HD23 LEU 10 28.863 34.382 32.745
85 H SER 11 H SER 11 28.712 35.425 27.557
86 HA SER 11 HA SER 11 31.125 36.937 27.017
87 HB2 SER 11 HB2 SER 11 31.191 34.664 26.404
88 HB3 SER 11 HB3 SER 11 29.615 34.731 25.604
89 HG SER 11 HG SER 11 31.943 36.107 24.663
90 H CYS 12 H CYS 12 27.891 36.811 25.419
91 HA CYS 12 HA CYS 12 28.698 38.788 23.455
92 HB2 CYS 12 HB2 CYS 12 25.944 37.713 24.140
93 HB3 CYS 12 HB3 CYS 12 26.363 38.668 22.702
94 H ARG 13 H ARG 13 26.848 39.022 26.511
95 HA ARG 13 HA ARG 13 26.188 41.792 26.359
96 HB2 ARG 13 HB2 ARG 13 25.244 40.102 27.939
97 HB3 ARG 13 HB3 ARG 13 26.797 40.051 28.792
98 HG2 ARG 13 HG2 ARG 13 26.485 42.455 29.423
99 HG3 ARG 13 HG3 ARG 13 24.968 42.474 28.523
100 HD2 ARG 13 HD2 ARG 13 24.452 42.185 30.866
101 HD3 ARG 13 HD3 ARG 13 24.072 40.678 30.012
102 HE ARG 13 HE ARG 13 26.769 40.699 31.120
103 HH11 ARG 13 HH11 ARG 13 23.424 40.157 32.178
104 HH12 ARG 13 HH12 ARG 13 23.961 39.182 33.523
105 HH21 ARG 13 HH21 ARG 13 27.293 39.273 32.711
106 HH22 ARG 13 HH22 ARG 13 26.045 38.701 33.807
107 H SER 14 H SER 14 29.189 40.177 27.360
108 HA SER 14 HA SER 14 30.591 42.568 28.195
109 HB2 SER 14 HB2 SER 14 31.718 39.932 27.169
110 HB3 SER 14 HB3 SER 14 32.613 41.209 28.012
111 HG SER 14 HG SER 14 30.584 39.499 29.003
112 H LEU 15 H LEU 15 29.483 41.829 25.134
113 HA LEU 15 HA LEU 15 31.347 43.777 23.867
114 HB2 LEU 15 HB2 LEU 15 29.984 41.371 22.594
115 HB3 LEU 15 HB3 LEU 15 30.949 42.564 21.731
116 HG LEU 15 HG LEU 15 32.036 40.730 23.908
117 HD11 LEU 15 HD11 LEU 15 31.340 39.448 21.951
118 HD12 LEU 15 HD12 LEU 15 32.225 40.554 20.876
119 HD13 LEU 15 HD13 LEU 15 33.108 39.527 22.032
120 HD21 LEU 15 HD21 LEU 15 33.378 42.779 23.684
121 HD22 LEU 15 HD22 LEU 15 34.252 41.414 22.990
122 HD23 LEU 15 HD23 LEU 15 33.429 42.589 21.927
123 H GLY 16 H GLY 16 28.443 43.747 25.215
124 HA2 GLY 16 HA2 GLY 16 26.692 45.269 25.015
125 HA3 GLY 16 HA3 GLY 16 27.363 45.834 23.487
126 H LEU 17 H LEU 17 27.134 42.627 22.882
127 HA LEU 17 HA LEU 17 24.732 42.663 21.348
128 HB2 LEU 17 HB2 LEU 17 26.897 40.701 22.116
129 HB3 LEU 17 HB3 LEU 17 25.431 40.128 21.335
130 HG LEU 17 HG LEU 17 25.800 41.513 19.562
131 HD11 LEU 17 HD11 LEU 17 27.063 43.456 20.353
132 HD12 LEU 17 HD12 LEU 17 28.457 42.407 20.719
133 HD13 LEU 17 HD13 LEU 17 27.946 42.695 19.043
134 HD21 LEU 17 HD21 LEU 17 28.243 39.856 20.185
135 HD22 LEU 17 HD22 LEU 17 26.724 39.318 19.422
136 HD23 LEU 17 HD23 LEU 17 27.786 40.407 18.548
137 H LEU 18 H LEU 18 23.170 40.899 21.492
138 HA LEU 18 HA LEU 18 22.493 39.920 24.217
139 HB2 LEU 18 HB2 LEU 18 20.864 41.602 23.601
140 HB3 LEU 18 HB3 LEU 18 20.613 40.819 22.030
141 HG LEU 18 HG LEU 18 19.628 38.846 23.179
142 HD11 LEU 18 HD11 LEU 18 19.891 40.563 25.686
143 HD12 LEU 18 HD12 LEU 18 18.959 39.057 25.559
144 HD13 LEU 18 HD13 LEU 18 20.715 39.017 25.392
145 HD21 LEU 18 HD21 LEU 18 18.185 40.655 22.351
146 HD22 LEU 18 HD22 LEU 18 17.520 39.949 23.838
147 HD23 LEU 18 HD23 LEU 18 18.356 41.514 23.895
148 H GLY 19 H GLY 19 22.178 37.839 24.341
149 HA2 GLY 19 HA2 GLY 19 22.684 36.108 21.958
150 HA3 GLY 19 HA3 GLY 19 23.071 35.700 23.617
151 H LYS 20 H LYS 20 21.348 34.530 21.321
152 HA LYS 20 HA LYS 20 19.054 33.618 23.018
153 HB2 LYS 20 HB2 LYS 20 18.999 34.407 20.079
154 HB3 LYS 20 HB3 LYS 20 17.676 33.621 20.926
155 HG2 LYS 20 HG2 LYS 20 18.758 36.390 21.624
156 HG3 LYS 20 HG3 LYS 20 17.386 36.070 20.572
157 HD2 LYS 20 HD2 LYS 20 16.181 34.971 22.437
158 HD3 LYS 20 HD3 LYS 20 17.531 35.332 23.525
159 HE2 LYS 20 HE2 LYS 20 17.241 37.734 23.169
160 HE3 LYS 20 HE3 LYS 20 15.984 37.445 21.957
161 HZ1 LYS 20 HZ1 LYS 20 14.619 36.458 23.726
162 HZ2 LYS 20 HZ2 LYS 20 15.796 36.753 24.832
163 HZ3 LYS 20 HZ3 LYS 20 15.046 38.001 24.144
164 H CYS 21 H CYS 21 18.606 31.460 22.890
165 HA CYS 21 HA CYS 21 20.412 29.647 21.395
166 HB2 CYS 21 HB2 CYS 21 19.632 28.976 23.587
167 HB3 CYS 21 HB3 CYS 21 17.958 29.226 23.117
168 H ILE 22 H ILE 22 19.964 28.564 19.499
169 HA ILE 22 HA ILE 22 17.460 29.171 17.988
170 HB ILE 22 HB ILE 22 19.933 27.549 17.289
171 HG12 ILE 22 HG12 ILE 22 19.077 30.238 16.142
172 HG13 ILE 22 HG13 ILE 22 20.227 30.073 17.473
173 HG21 ILE 22 HG21 ILE 22 17.573 28.315 15.509
174 HG22 ILE 22 HG22 ILE 22 19.034 27.458 14.984
175 HG23 ILE 22 HG23 ILE 22 17.936 26.674 16.087
176 HD11 ILE 22 HD11 ILE 22 21.488 30.300 15.431
177 HD12 ILE 22 HD12 ILE 22 21.693 28.661 16.046
178 HD13 ILE 22 HD13 ILE 22 20.617 28.973 14.663
179 H GLY 23 H GLY 23 19.265 26.268 19.004
180 HA2 GLY 23 HA2 GLY 23 16.974 24.908 20.158
181 HA3 GLY 23 HA3 GLY 23 17.443 24.232 18.583
182 H GLU 24 H GLU 24 20.110 24.270 18.520
183 HA GLU 24 HA GLU 24 21.195 23.171 21.078
184 HB2 GLU 24 HB2 GLU 24 22.383 21.484 20.046
185 HB3 GLU 24 HB3 GLU 24 20.750 21.321 19.447
186 HG2 GLU 24 HG2 GLU 24 22.689 22.875 17.732
187 HG3 GLU 24 HG3 GLU 24 23.016 21.170 17.946
188 H GLU 25 H GLU 25 21.594 25.494 18.588
189 HA GLU 25 HA GLU 25 24.307 26.196 19.606
190 HB2 GLU 25 HB2 GLU 25 22.969 27.003 17.003
191 HB3 GLU 25 HB3 GLU 25 24.583 27.474 17.510
192 HG2 GLU 25 HG2 GLU 25 23.705 24.640 16.836
193 HG3 GLU 25 HG3 GLU 25 24.554 25.740 15.765
194 H CYS 26 H CYS 26 24.820 28.273 20.159
195 HA CYS 26 HA CYS 26 22.643 30.177 20.777
196 HB2 CYS 26 HB2 CYS 26 25.648 30.162 21.197
197 HB3 CYS 26 HB3 CYS 26 24.637 31.544 21.591
198 H LYS 27 H LYS 27 22.296 32.119 19.751
199 HA LYS 27 HA LYS 27 24.145 33.065 17.606
200 HB2 LYS 27 HB2 LYS 27 21.938 31.997 16.872
201 HB3 LYS 27 HB3 LYS 27 21.106 33.353 17.635
202 HG2 LYS 27 HG2 LYS 27 22.199 34.933 16.101
203 HG3 LYS 27 HG3 LYS 27 23.267 33.638 15.505
204 HD2 LYS 27 HD2 LYS 27 21.654 33.866 13.824
205 HD3 LYS 27 HD3 LYS 27 21.204 32.407 14.718
206 HE2 LYS 27 HE2 LYS 27 19.506 33.775 15.983
207 HE3 LYS 27 HE3 LYS 27 19.924 35.165 14.968
208 HZ1 LYS 27 HZ1 LYS 27 18.773 32.585 14.027
209 HZ2 LYS 27 HZ2 LYS 27 18.004 34.015 14.038
210 HZ3 LYS 27 HZ3 LYS 27 19.262 33.751 13.013
211 H CYS 28 H CYS 28 24.875 35.120 17.953
212 HA CYS 28 HA CYS 28 23.382 36.824 19.907
213 HB2 CYS 28 HB2 CYS 28 26.381 36.637 19.537
214 HB3 CYS 28 HB3 CYS 28 25.530 37.895 20.467
215 H VAL 29 H VAL 29 22.932 38.844 19.448
216 HA VAL 29 HA VAL 29 23.806 40.041 16.860
217 HB VAL 29 HB VAL 29 21.457 40.672 16.393
218 HG11 VAL 29 HG11 VAL 29 21.777 37.655 16.624
219 HG12 VAL 29 HG12 VAL 29 20.710 38.546 15.528
220 HG13 VAL 29 HG13 VAL 29 22.462 38.666 15.335
221 HG21 VAL 29 HG21 VAL 29 20.688 38.758 18.640
222 HG22 VAL 29 HG22 VAL 29 20.490 40.521 18.668
223 HG23 VAL 29 HG23 VAL 29 19.587 39.552 17.500
224 HA PRO 30 HA PRO 30 23.903 43.842 19.181
225 HB2 PRO 30 HB2 PRO 30 22.380 45.170 16.951
226 HB3 PRO 30 HB3 PRO 30 23.911 45.665 17.745
227 HG2 PRO 30 HG2 PRO 30 23.948 44.516 15.285
228 HG3 PRO 30 HG3 PRO 30 25.162 44.038 16.522
229 HD2 PRO 30 HD2 PRO 30 22.577 42.629 15.777
230 HD3 PRO 30 HD3 PRO 30 24.219 41.942 15.984
231 H ALA 31 H ALA 31 22.578 45.338 20.373
232 HA ALA 31 HA ALA 31 19.938 44.338 21.103
233 HB1 ALA 31 HB1 ALA 31 21.428 45.246 22.797
234 HB2 ALA 31 HB2 ALA 31 21.450 46.827 21.990
235 HB3 ALA 31 HB3 ALA 31 19.948 46.213 22.703
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 16.951 20.729 21.021
2 H2 ALA 1 H2 ALA 1 17.700 19.625 20.051
3 H3 ALA 1 H3 ALA 1 18.059 21.235 19.908
4 HA ALA 1 HA ALA 1 18.596 19.516 22.227
5 HB1 ALA 1 HB1 ALA 1 20.994 19.826 21.628
6 HB2 ALA 1 HB2 ALA 1 20.082 18.966 20.378
7 HB3 ALA 1 HB3 ALA 1 20.498 20.673 20.153
8 H PHE 2 H PHE 2 20.041 20.556 23.850
9 HA PHE 2 HA PHE 2 18.994 23.234 24.537
10 HB2 PHE 2 HB2 PHE 2 18.739 22.063 26.386
11 HB3 PHE 2 HB3 PHE 2 19.821 20.783 25.891
12 HD1 PHE 2 HD1 PHE 2 22.367 21.254 25.965
13 HD2 PHE 2 HD2 PHE 2 19.406 23.451 28.197
14 HE1 PHE 2 HE1 PHE 2 24.115 22.024 27.516
15 HE2 PHE 2 HE2 PHE 2 21.143 24.162 29.799
16 HZ PHE 2 HZ PHE 2 23.514 23.450 29.480
17 H CYS 3 H CYS 3 20.383 24.911 25.351
18 HA CYS 3 HA CYS 3 23.013 25.074 23.912
19 HB2 CYS 3 HB2 CYS 3 21.052 27.267 24.647
20 HB3 CYS 3 HB3 CYS 3 22.634 27.502 23.913
21 H ASN 4 H ASN 4 24.712 26.214 24.882
22 HA ASN 4 HA ASN 4 24.843 26.286 27.832
23 HB2 ASN 4 HB2 ASN 4 26.902 27.002 25.708
24 HB3 ASN 4 HB3 ASN 4 27.197 26.932 27.445
25 HD21 ASN 4 HD21 ASN 4 26.844 23.247 27.427
26 HD22 ASN 4 HD22 ASN 4 26.245 24.596 28.390
27 H LEU 5 H LEU 5 22.823 27.916 26.939
28 HA LEU 5 HA LEU 5 23.477 30.435 25.992
29 HB2 LEU 5 HB2 LEU 5 21.227 29.196 26.052
30 HB3 LEU 5 HB3 LEU 5 21.037 29.826 27.686
31 HG LEU 5 HG LEU 5 21.137 32.164 26.742
32 HD11 LEU 5 HD11 LEU 5 20.864 32.470 24.324
33 HD12 LEU 5 HD12 LEU 5 22.442 31.824 24.721
34 HD13 LEU 5 HD13 LEU 5 21.201 30.733 24.072
35 HD21 LEU 5 HD21 LEU 5 19.041 30.359 25.512
36 HD22 LEU 5 HD22 LEU 5 18.996 31.095 27.121
37 HD23 LEU 5 HD23 LEU 5 18.937 32.129 25.694
38 H ARG 6 H ARG 6 23.429 29.463 29.403
39 HA ARG 6 HA ARG 6 23.473 32.034 30.599
40 HB2 ARG 6 HB2 ARG 6 24.424 30.872 32.535
41 HB3 ARG 6 HB3 ARG 6 23.051 30.006 31.863
42 HG2 ARG 6 HG2 ARG 6 24.556 28.380 30.757
43 HG3 ARG 6 HG3 ARG 6 25.967 29.260 31.362
44 HD2 ARG 6 HD2 ARG 6 23.881 27.907 33.113
45 HD3 ARG 6 HD3 ARG 6 25.466 27.236 32.674
46 HE ARG 6 HE ARG 6 25.884 29.827 33.748
47 HH11 ARG 6 HH11 ARG 6 25.150 26.612 35.032
48 HH12 ARG 6 HH12 ARG 6 25.458 27.200 36.672
49 HH21 ARG 6 HH21 ARG 6 26.401 30.310 35.775
50 HH22 ARG 6 HH22 ARG 6 26.126 29.129 37.072
51 H ARG 7 H ARG 7 26.173 30.209 29.106
52 HA ARG 7 HA ARG 7 28.155 32.220 29.860
53 HB2 ARG 7 HB2 ARG 7 28.524 29.687 29.633
54 HB3 ARG 7 HB3 ARG 7 28.359 29.908 27.878
55 HG2 ARG 7 HG2 ARG 7 30.223 31.606 28.017
56 HG3 ARG 7 HG3 ARG 7 30.348 31.252 29.742
57 HD2 ARG 7 HD2 ARG 7 32.092 30.037 28.567
58 HD3 ARG 7 HD3 ARG 7 30.901 28.888 29.199
59 HE ARG 7 HE ARG 7 30.658 29.856 26.376
60 HH11 ARG 7 HH11 ARG 7 31.494 27.083 28.438
61 HH12 ARG 7 HH12 ARG 7 31.035 25.980 27.157
62 HH21 ARG 7 HH21 ARG 7 30.300 28.278 24.793
63 HH22 ARG 7 HH22 ARG 7 30.509 26.599 25.257
64 H CYS 8 H CYS 8 26.185 31.333 27.021
65 HA CYS 8 HA CYS 8 27.448 33.045 25.122
66 HB2 CYS 8 HB2 CYS 8 24.504 32.319 25.268
67 HB3 CYS 8 HB3 CYS 8 25.399 32.875 23.855
68 H GLU 9 H GLU 9 24.640 33.731 27.322
69 HA GLU 9 HA GLU 9 24.137 36.387 26.453
70 HB2 GLU 9 HB2 GLU 9 23.813 35.099 29.204
71 HB3 GLU 9 HB3 GLU 9 23.313 36.750 28.814
72 HG2 GLU 9 HG2 GLU 9 21.967 35.658 26.858
73 HG3 GLU 9 HG3 GLU 9 22.132 34.171 27.789
74 H LEU 10 H LEU 10 26.464 35.265 28.935
75 HA LEU 10 HA LEU 10 27.334 37.849 29.800
76 HB2 LEU 10 HB2 LEU 10 27.363 36.041 31.309
77 HB3 LEU 10 HB3 LEU 10 27.987 34.910 30.113
78 HG LEU 10 HG LEU 10 30.149 35.995 30.161
79 HD11 LEU 10 HD11 LEU 10 29.517 38.248 31.058
80 HD12 LEU 10 HD12 LEU 10 29.037 37.491 32.589
81 HD13 LEU 10 HD13 LEU 10 30.737 37.478 32.080
82 HD21 LEU 10 HD21 LEU 10 29.093 34.947 32.806
83 HD22 LEU 10 HD22 LEU 10 29.736 33.983 31.461
84 HD23 LEU 10 HD23 LEU 10 30.809 35.055 32.374
85 H SER 11 H SER 11 28.540 35.440 27.463
86 HA SER 11 HA SER 11 30.994 36.719 26.708
87 HB2 SER 11 HB2 SER 11 29.137 35.033 24.967
88 HB3 SER 11 HB3 SER 11 30.841 35.391 24.657
89 HG SER 11 HG SER 11 29.752 33.931 26.853
90 H CYS 12 H CYS 12 27.670 36.982 25.386
91 HA CYS 12 HA CYS 12 28.456 39.007 23.445
92 HB2 CYS 12 HB2 CYS 12 25.762 37.866 24.238
93 HB3 CYS 12 HB3 CYS 12 26.016 39.026 22.930
94 H ARG 13 H ARG 13 27.040 39.146 26.746
95 HA ARG 13 HA ARG 13 26.471 41.962 26.757
96 HB2 ARG 13 HB2 ARG 13 25.771 40.223 28.474
97 HB3 ARG 13 HB3 ARG 13 27.434 40.235 29.078
98 HG2 ARG 13 HG2 ARG 13 27.130 42.735 29.514
99 HG3 ARG 13 HG3 ARG 13 25.448 42.555 28.997
100 HD2 ARG 13 HD2 ARG 13 25.442 42.463 31.364
101 HD3 ARG 13 HD3 ARG 13 25.164 40.805 30.820
102 HE ARG 13 HE ARG 13 27.965 41.137 31.171
103 HH11 ARG 13 HH11 ARG 13 25.179 40.888 33.390
104 HH12 ARG 13 HH12 ARG 13 26.304 40.671 34.717
105 HH21 ARG 13 HH21 ARG 13 29.119 40.859 32.916
106 HH22 ARG 13 HH22 ARG 13 28.352 40.671 34.509
107 H SER 14 H SER 14 29.456 40.139 27.368
108 HA SER 14 HA SER 14 31.150 42.431 27.913
109 HB2 SER 14 HB2 SER 14 31.856 39.654 26.892
110 HB3 SER 14 HB3 SER 14 33.002 40.851 27.513
111 HG SER 14 HG SER 14 30.926 39.493 28.894
112 H LEU 15 H LEU 15 29.796 41.301 24.946
113 HA LEU 15 HA LEU 15 31.743 42.884 23.325
114 HB2 LEU 15 HB2 LEU 15 29.701 40.773 22.574
115 HB3 LEU 15 HB3 LEU 15 30.600 41.715 21.391
116 HG LEU 15 HG LEU 15 31.917 39.917 23.468
117 HD11 LEU 15 HD11 LEU 15 32.228 38.313 21.629
118 HD12 LEU 15 HD12 LEU 15 30.511 38.590 21.948
119 HD13 LEU 15 HD13 LEU 15 31.284 39.358 20.542
120 HD21 LEU 15 HD21 LEU 15 33.435 41.647 22.591
121 HD22 LEU 15 HD22 LEU 15 33.875 40.058 21.962
122 HD23 LEU 15 HD23 LEU 15 33.000 41.203 20.924
123 H GLY 16 H GLY 16 28.574 43.093 24.666
124 HA2 GLY 16 HA2 GLY 16 27.297 45.058 24.731
125 HA3 GLY 16 HA3 GLY 16 28.110 45.680 23.301
126 H LEU 17 H LEU 17 26.464 42.471 23.618
127 HA LEU 17 HA LEU 17 24.062 43.454 22.307
128 HB2 LEU 17 HB2 LEU 17 24.138 42.258 20.325
129 HB3 LEU 17 HB3 LEU 17 25.654 43.108 20.402
130 HG LEU 17 HG LEU 17 25.404 40.187 21.160
131 HD11 LEU 17 HD11 LEU 17 26.196 39.681 18.864
132 HD12 LEU 17 HD12 LEU 17 24.616 40.489 18.842
133 HD13 LEU 17 HD13 LEU 17 26.084 41.405 18.456
134 HD21 LEU 17 HD21 LEU 17 27.771 41.870 20.265
135 HD22 LEU 17 HD22 LEU 17 27.483 41.256 21.904
136 HD23 LEU 17 HD23 LEU 17 27.812 40.120 20.590
137 H LEU 18 H LEU 18 22.443 41.641 21.901
138 HA LEU 18 HA LEU 18 22.141 40.243 24.498
139 HB2 LEU 18 HB2 LEU 18 20.259 41.135 22.289
140 HB3 LEU 18 HB3 LEU 18 19.759 40.012 23.549
141 HG LEU 18 HG LEU 18 20.174 41.652 25.304
142 HD11 LEU 18 HD11 LEU 18 20.922 43.549 23.037
143 HD12 LEU 18 HD12 LEU 18 20.491 44.073 24.681
144 HD13 LEU 18 HD13 LEU 18 21.925 43.087 24.435
145 HD21 LEU 18 HD21 LEU 18 18.484 42.748 23.016
146 HD22 LEU 18 HD22 LEU 18 17.969 41.503 24.174
147 HD23 LEU 18 HD23 LEU 18 18.305 43.146 24.738
148 H GLY 19 H GLY 19 21.164 38.040 24.558
149 HA2 GLY 19 HA2 GLY 19 22.145 36.327 22.276
150 HA3 GLY 19 HA3 GLY 19 22.315 35.903 23.964
151 H LYS 20 H LYS 20 21.084 34.430 21.743
152 HA LYS 20 HA LYS 20 18.704 33.518 23.226
153 HB2 LYS 20 HB2 LYS 20 17.256 33.454 21.296
154 HB3 LYS 20 HB3 LYS 20 17.698 35.095 21.747
155 HG2 LYS 20 HG2 LYS 20 19.349 35.163 19.892
156 HG3 LYS 20 HG3 LYS 20 18.902 33.521 19.418
157 HD2 LYS 20 HD2 LYS 20 16.959 35.859 19.547
158 HD3 LYS 20 HD3 LYS 20 17.846 35.369 18.088
159 HE2 LYS 20 HE2 LYS 20 16.784 33.029 18.443
160 HE3 LYS 20 HE3 LYS 20 15.685 33.821 19.581
161 HZ1 LYS 20 HZ1 LYS 20 14.769 33.721 17.299
162 HZ2 LYS 20 HZ2 LYS 20 14.999 35.290 17.739
163 HZ3 LYS 20 HZ3 LYS 20 16.054 34.570 16.724
164 H CYS 21 H CYS 21 18.428 31.310 23.170
165 HA CYS 21 HA CYS 21 20.293 29.609 21.665
166 HB2 CYS 21 HB2 CYS 21 19.496 28.964 23.882
167 HB3 CYS 21 HB3 CYS 21 17.836 28.925 23.292
168 H ILE 22 H ILE 22 19.972 28.487 19.724
169 HA ILE 22 HA ILE 22 17.236 28.363 18.590
170 HB ILE 22 HB ILE 22 19.561 29.317 16.921
171 HG12 ILE 22 HG12 ILE 22 17.260 30.971 18.050
172 HG13 ILE 22 HG13 ILE 22 18.972 31.128 18.460
173 HG21 ILE 22 HG21 ILE 22 17.781 28.008 15.716
174 HG22 ILE 22 HG22 ILE 22 16.573 29.172 16.292
175 HG23 ILE 22 HG23 ILE 22 17.861 29.668 15.177
176 HD11 ILE 22 HD11 ILE 22 19.420 31.699 16.037
177 HD12 ILE 22 HD12 ILE 22 17.660 31.860 15.836
178 HD13 ILE 22 HD13 ILE 22 18.520 32.904 16.975
179 H GLY 23 H GLY 23 17.032 26.287 18.743
180 HA2 GLY 23 HA2 GLY 23 16.781 24.223 17.761
181 HA3 GLY 23 HA3 GLY 23 17.990 24.662 16.554
182 H GLU 24 H GLU 24 20.299 24.839 17.630
183 HA GLU 24 HA GLU 24 20.800 22.837 19.726
184 HB2 GLU 24 HB2 GLU 24 22.283 21.467 18.444
185 HB3 GLU 24 HB3 GLU 24 20.687 21.445 17.724
186 HG2 GLU 24 HG2 GLU 24 22.954 23.215 16.694
187 HG3 GLU 24 HG3 GLU 24 22.693 21.556 16.179
188 H GLU 25 H GLU 25 21.424 25.870 18.800
189 HA GLU 25 HA GLU 25 23.875 26.024 20.356
190 HB2 GLU 25 HB2 GLU 25 24.771 25.279 18.159
191 HB3 GLU 25 HB3 GLU 25 24.030 26.656 17.378
192 HG2 GLU 25 HG2 GLU 25 26.443 26.933 17.685
193 HG3 GLU 25 HG3 GLU 25 25.546 28.179 18.525
194 H CYS 26 H CYS 26 24.518 28.287 20.799
195 HA CYS 26 HA CYS 26 22.151 30.047 20.740
196 HB2 CYS 26 HB2 CYS 26 23.265 31.341 22.395
197 HB3 CYS 26 HB3 CYS 26 23.366 29.635 22.839
198 H LYS 27 H LYS 27 22.064 32.085 19.908
199 HA LYS 27 HA LYS 27 24.333 33.120 18.274
200 HB2 LYS 27 HB2 LYS 27 21.414 33.168 17.406
201 HB3 LYS 27 HB3 LYS 27 22.760 33.962 16.593
202 HG2 LYS 27 HG2 LYS 27 23.817 31.632 16.320
203 HG3 LYS 27 HG3 LYS 27 22.261 30.988 16.875
204 HD2 LYS 27 HD2 LYS 27 21.249 32.479 14.957
205 HD3 LYS 27 HD3 LYS 27 22.899 32.508 14.322
206 HE2 LYS 27 HE2 LYS 27 22.929 30.021 14.263
207 HE3 LYS 27 HE3 LYS 27 21.338 29.984 15.029
208 HZ1 LYS 27 HZ1 LYS 27 20.889 29.684 12.805
209 HZ2 LYS 27 HZ2 LYS 27 20.556 31.277 12.998
210 HZ3 LYS 27 HZ3 LYS 27 21.971 30.786 12.268
211 H CYS 28 H CYS 28 24.304 35.445 18.051
212 HA CYS 28 HA CYS 28 22.689 36.798 20.167
213 HB2 CYS 28 HB2 CYS 28 25.606 37.292 19.532
214 HB3 CYS 28 HB3 CYS 28 24.591 38.304 20.551
215 H VAL 29 H VAL 29 22.204 38.981 19.932
216 HA VAL 29 HA VAL 29 21.811 39.899 17.147
217 HB VAL 29 HB VAL 29 19.382 40.275 17.694
218 HG11 VAL 29 HG11 VAL 29 20.155 38.437 16.220
219 HG12 VAL 29 HG12 VAL 29 20.230 37.358 17.630
220 HG13 VAL 29 HG13 VAL 29 18.676 38.035 17.108
221 HG21 VAL 29 HG21 VAL 29 19.838 38.236 19.912
222 HG22 VAL 29 HG22 VAL 29 19.532 39.960 20.183
223 HG23 VAL 29 HG23 VAL 29 18.297 38.950 19.405
224 HA PRO 30 HA PRO 30 22.825 43.728 18.649
225 HB2 PRO 30 HB2 PRO 30 20.700 45.075 17.008
226 HB3 PRO 30 HB3 PRO 30 22.466 45.361 17.038
227 HG2 PRO 30 HG2 PRO 30 21.370 43.938 15.015
228 HG3 PRO 30 HG3 PRO 30 22.896 43.378 15.778
229 HD2 PRO 30 HD2 PRO 30 20.058 42.456 16.346
230 HD3 PRO 30 HD3 PRO 30 21.511 41.484 15.987
231 H ALA 31 H ALA 31 22.527 45.531 19.902
232 HA ALA 31 HA ALA 31 20.354 45.538 21.849
233 HB1 ALA 31 HB1 ALA 31 22.726 45.848 22.478
234 HB2 ALA 31 HB2 ALA 31 22.779 47.350 21.527
235 HB3 ALA 31 HB3 ALA 31 21.731 47.236 22.951
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 14.860 19.629 25.976
2 H2 ALA 1 H2 ALA 1 15.032 18.652 24.662
3 H3 ALA 1 H3 ALA 1 14.897 20.294 24.475
4 HA ALA 1 HA ALA 1 17.139 18.935 25.801
5 HB1 ALA 1 HB1 ALA 1 17.088 20.349 23.100
6 HB2 ALA 1 HB2 ALA 1 18.492 19.596 23.877
7 HB3 ALA 1 HB3 ALA 1 17.139 18.591 23.323
8 H PHE 2 H PHE 2 18.879 20.397 26.400
9 HA PHE 2 HA PHE 2 17.886 23.106 27.137
10 HB2 PHE 2 HB2 PHE 2 20.235 21.481 28.151
11 HB3 PHE 2 HB3 PHE 2 19.792 23.088 28.718
12 HD1 PHE 2 HD1 PHE 2 17.075 23.237 29.304
13 HD2 PHE 2 HD2 PHE 2 19.618 19.763 29.639
14 HE1 PHE 2 HE1 PHE 2 15.538 22.268 30.988
15 HE2 PHE 2 HE2 PHE 2 18.075 18.809 31.336
16 HZ PHE 2 HZ PHE 2 16.033 20.054 32.009
17 H CYS 3 H CYS 3 19.195 24.917 27.048
18 HA CYS 3 HA CYS 3 21.313 24.969 24.933
19 HB2 CYS 3 HB2 CYS 3 19.349 26.224 24.262
20 HB3 CYS 3 HB3 CYS 3 19.271 27.017 25.832
21 H ASN 4 H ASN 4 23.141 26.136 25.337
22 HA ASN 4 HA ASN 4 24.076 26.618 28.048
23 HB2 ASN 4 HB2 ASN 4 25.269 27.282 25.321
24 HB3 ASN 4 HB3 ASN 4 26.123 27.329 26.858
25 HD21 ASN 4 HD21 ASN 4 26.465 23.801 27.136
26 HD22 ASN 4 HD22 ASN 4 26.575 25.341 27.969
27 H LEU 5 H LEU 5 21.715 28.126 27.508
28 HA LEU 5 HA LEU 5 21.862 30.581 26.306
29 HB2 LEU 5 HB2 LEU 5 19.890 29.306 27.174
30 HB3 LEU 5 HB3 LEU 5 20.206 29.916 28.786
31 HG LEU 5 HG LEU 5 19.759 31.794 26.438
32 HD11 LEU 5 HD11 LEU 5 17.858 30.204 26.522
33 HD12 LEU 5 HD12 LEU 5 17.631 30.569 28.242
34 HD13 LEU 5 HD13 LEU 5 17.371 31.824 27.005
35 HD21 LEU 5 HD21 LEU 5 18.792 33.250 28.251
36 HD22 LEU 5 HD22 LEU 5 19.310 32.044 29.449
37 HD23 LEU 5 HD23 LEU 5 20.508 32.934 28.480
38 H ARG 6 H ARG 6 22.617 30.036 29.781
39 HA ARG 6 HA ARG 6 23.155 32.838 30.254
40 HB2 ARG 6 HB2 ARG 6 23.709 30.269 31.805
41 HB3 ARG 6 HB3 ARG 6 24.320 31.808 32.382
42 HG2 ARG 6 HG2 ARG 6 21.413 31.014 32.011
43 HG3 ARG 6 HG3 ARG 6 22.261 31.401 33.508
44 HD2 ARG 6 HD2 ARG 6 21.233 33.240 31.354
45 HD3 ARG 6 HD3 ARG 6 20.954 33.307 33.098
46 HE ARG 6 HE ARG 6 23.738 33.675 32.666
47 HH11 ARG 6 HH11 ARG 6 20.871 35.491 31.665
48 HH12 ARG 6 HH12 ARG 6 21.806 36.983 31.650
49 HH21 ARG 6 HH21 ARG 6 24.698 35.621 32.751
50 HH22 ARG 6 HH22 ARG 6 23.796 37.077 32.296
51 H ARG 7 H ARG 7 25.343 30.221 29.383
52 HA ARG 7 HA ARG 7 27.768 31.765 29.407
53 HB2 ARG 7 HB2 ARG 7 27.566 29.252 29.338
54 HB3 ARG 7 HB3 ARG 7 26.966 29.373 27.677
55 HG2 ARG 7 HG2 ARG 7 29.125 30.583 27.107
56 HG3 ARG 7 HG3 ARG 7 29.660 30.190 28.752
57 HD2 ARG 7 HD2 ARG 7 30.602 28.521 27.323
58 HD3 ARG 7 HD3 ARG 7 29.274 27.744 28.183
59 HE ARG 7 HE ARG 7 28.618 28.858 25.503
60 HH11 ARG 7 HH11 ARG 7 29.518 25.857 27.234
61 HH12 ARG 7 HH12 ARG 7 29.166 24.936 25.792
62 HH21 ARG 7 HH21 ARG 7 28.074 27.400 23.831
63 HH22 ARG 7 HH22 ARG 7 28.408 25.696 24.109
64 H CYS 8 H CYS 8 25.300 31.119 26.888
65 HA CYS 8 HA CYS 8 26.613 32.593 24.822
66 HB2 CYS 8 HB2 CYS 8 23.664 31.938 25.169
67 HB3 CYS 8 HB3 CYS 8 24.445 32.496 23.685
68 H GLU 9 H GLU 9 24.094 33.687 27.192
69 HA GLU 9 HA GLU 9 24.040 36.409 26.211
70 HB2 GLU 9 HB2 GLU 9 23.314 35.187 28.902
71 HB3 GLU 9 HB3 GLU 9 23.278 36.925 28.595
72 HG2 GLU 9 HG2 GLU 9 21.777 36.421 26.577
73 HG3 GLU 9 HG3 GLU 9 21.610 34.787 27.209
74 H LEU 10 H LEU 10 26.313 34.809 28.456
75 HA LEU 10 HA LEU 10 27.644 37.213 29.329
76 HB2 LEU 10 HB2 LEU 10 27.700 35.382 30.796
77 HB3 LEU 10 HB3 LEU 10 27.926 34.217 29.498
78 HG LEU 10 HG LEU 10 30.194 34.998 29.151
79 HD11 LEU 10 HD11 LEU 10 29.779 36.470 31.801
80 HD12 LEU 10 HD12 LEU 10 31.335 36.278 30.971
81 HD13 LEU 10 HD13 LEU 10 30.055 37.260 30.237
82 HD21 LEU 10 HD21 LEU 10 29.581 33.938 31.925
83 HD22 LEU 10 HD22 LEU 10 29.754 32.984 30.436
84 HD23 LEU 10 HD23 LEU 10 31.150 33.838 31.110
85 H SER 11 H SER 11 28.171 34.814 26.691
86 HA SER 11 HA SER 11 30.593 36.006 25.707
87 HB2 SER 11 HB2 SER 11 29.766 33.734 25.086
88 HB3 SER 11 HB3 SER 11 28.493 34.497 24.111
89 HG SER 11 HG SER 11 31.326 34.647 23.814
90 H CYS 12 H CYS 12 27.144 36.607 24.831
91 HA CYS 12 HA CYS 12 27.807 38.619 22.866
92 HB2 CYS 12 HB2 CYS 12 25.178 38.206 24.314
93 HB3 CYS 12 HB3 CYS 12 25.430 39.065 22.783
94 H ARG 13 H ARG 13 27.304 38.803 26.387
95 HA ARG 13 HA ARG 13 27.186 41.638 26.656
96 HB2 ARG 13 HB2 ARG 13 26.779 39.859 28.424
97 HB3 ARG 13 HB3 ARG 13 28.530 39.653 28.538
98 HG2 ARG 13 HG2 ARG 13 28.721 42.065 29.228
99 HG3 ARG 13 HG3 ARG 13 26.960 42.210 29.092
100 HD2 ARG 13 HD2 ARG 13 27.464 41.901 31.397
101 HD3 ARG 13 HD3 ARG 13 26.752 40.387 30.834
102 HE ARG 13 HE ARG 13 29.579 40.142 30.560
103 HH11 ARG 13 HH11 ARG 13 27.276 40.447 33.203
104 HH12 ARG 13 HH12 ARG 13 28.317 39.623 34.329
105 HH21 ARG 13 HH21 ARG 13 30.932 39.364 32.066
106 HH22 ARG 13 HH22 ARG 13 30.422 39.117 33.723
107 H SER 14 H SER 14 29.916 39.577 25.766
108 HA SER 14 HA SER 14 32.022 41.403 26.489
109 HB2 SER 14 HB2 SER 14 33.476 40.153 25.169
110 HB3 SER 14 HB3 SER 14 32.358 39.001 25.907
111 HG SER 14 HG SER 14 31.328 38.752 23.973
112 H LEU 15 H LEU 15 30.070 41.183 23.511
113 HA LEU 15 HA LEU 15 31.336 43.658 22.452
114 HB2 LEU 15 HB2 LEU 15 29.465 41.697 21.102
115 HB3 LEU 15 HB3 LEU 15 30.254 43.077 20.339
116 HG LEU 15 HG LEU 15 31.628 40.597 21.455
117 HD11 LEU 15 HD11 LEU 15 30.385 40.233 19.352
118 HD12 LEU 15 HD12 LEU 15 31.253 41.590 18.601
119 HD13 LEU 15 HD13 LEU 15 32.135 40.127 19.098
120 HD21 LEU 15 HD21 LEU 15 33.142 42.520 21.694
121 HD22 LEU 15 HD22 LEU 15 33.681 41.486 20.369
122 HD23 LEU 15 HD23 LEU 15 32.824 43.004 20.013
123 H GLY 16 H GLY 16 29.168 43.300 24.658
124 HA2 GLY 16 HA2 GLY 16 27.860 44.946 25.579
125 HA3 GLY 16 HA3 GLY 16 28.049 45.900 24.115
126 H LEU 17 H LEU 17 26.610 42.672 23.870
127 HA LEU 17 HA LEU 17 23.893 43.860 23.692
128 HB2 LEU 17 HB2 LEU 17 23.457 42.968 21.571
129 HB3 LEU 17 HB3 LEU 17 24.882 43.960 21.468
130 HG LEU 17 HG LEU 17 25.127 40.938 21.716
131 HD11 LEU 17 HD11 LEU 17 25.275 40.941 19.180
132 HD12 LEU 17 HD12 LEU 17 23.661 41.214 19.837
133 HD13 LEU 17 HD13 LEU 17 24.602 42.578 19.216
134 HD21 LEU 17 HD21 LEU 17 26.862 43.061 20.376
135 HD22 LEU 17 HD22 LEU 17 27.216 42.242 21.907
136 HD23 LEU 17 HD23 LEU 17 27.194 41.314 20.410
137 H LEU 18 H LEU 18 22.408 41.742 22.834
138 HA LEU 18 HA LEU 18 22.373 40.108 25.308
139 HB2 LEU 18 HB2 LEU 18 20.519 41.638 24.873
140 HB3 LEU 18 HB3 LEU 18 20.221 40.861 23.326
141 HG LEU 18 HG LEU 18 19.552 38.772 24.484
142 HD11 LEU 18 HD11 LEU 18 19.947 40.391 27.040
143 HD12 LEU 18 HD12 LEU 18 19.185 38.793 26.933
144 HD13 LEU 18 HD13 LEU 18 20.901 38.974 26.574
145 HD21 LEU 18 HD21 LEU 18 17.474 39.693 25.513
146 HD22 LEU 18 HD22 LEU 18 18.183 41.320 25.426
147 HD23 LEU 18 HD23 LEU 18 17.849 40.409 23.939
148 H GLY 19 H GLY 19 21.667 37.832 25.150
149 HA2 GLY 19 HA2 GLY 19 22.753 36.474 22.709
150 HA3 GLY 19 HA3 GLY 19 22.834 35.819 24.330
151 H LYS 20 H LYS 20 21.769 34.695 21.858
152 HA LYS 20 HA LYS 20 19.104 33.785 22.824
153 HB2 LYS 20 HB2 LYS 20 19.858 34.744 20.024
154 HB3 LYS 20 HB3 LYS 20 18.489 33.683 20.313
155 HG2 LYS 20 HG2 LYS 20 18.791 36.477 21.477
156 HG3 LYS 20 HG3 LYS 20 17.804 36.007 20.086
157 HD2 LYS 20 HD2 LYS 20 16.562 34.399 21.627
158 HD3 LYS 20 HD3 LYS 20 17.402 35.187 22.987
159 HE2 LYS 20 HE2 LYS 20 16.493 37.376 22.254
160 HE3 LYS 20 HE3 LYS 20 15.664 36.565 20.911
161 HZ1 LYS 20 HZ1 LYS 20 14.482 35.218 22.628
162 HZ2 LYS 20 HZ2 LYS 20 15.112 36.176 23.800
163 HZ3 LYS 20 HZ3 LYS 20 14.104 36.808 22.664
164 H CYS 21 H CYS 21 18.556 31.716 22.336
165 HA CYS 21 HA CYS 21 20.743 29.858 21.608
166 HB2 CYS 21 HB2 CYS 21 17.906 29.474 22.574
167 HB3 CYS 21 HB3 CYS 21 19.086 28.178 22.329
168 H ILE 22 H ILE 22 20.715 28.468 19.880
169 HA ILE 22 HA ILE 22 18.329 28.218 18.167
170 HB ILE 22 HB ILE 22 21.056 28.742 16.983
171 HG12 ILE 22 HG12 ILE 22 20.076 30.896 17.822
172 HG13 ILE 22 HG13 ILE 22 20.367 30.827 16.098
173 HG21 ILE 22 HG21 ILE 22 18.329 28.174 15.740
174 HG22 ILE 22 HG22 ILE 22 19.678 28.864 14.821
175 HG23 ILE 22 HG23 ILE 22 19.834 27.261 15.537
176 HD11 ILE 22 HD11 ILE 22 18.033 30.646 15.574
177 HD12 ILE 22 HD12 ILE 22 17.596 30.369 17.266
178 HD13 ILE 22 HD13 ILE 22 18.215 31.952 16.752
179 H GLY 23 H GLY 23 18.352 26.395 19.549
180 HA2 GLY 23 HA2 GLY 23 18.380 24.070 19.717
181 HA3 GLY 23 HA3 GLY 23 19.287 24.032 18.201
182 H GLU 24 H GLU 24 21.202 23.019 18.398
183 HA GLU 24 HA GLU 24 22.630 22.781 20.954
184 HB2 GLU 24 HB2 GLU 24 23.606 22.069 18.163
185 HB3 GLU 24 HB3 GLU 24 24.260 21.515 19.700
186 HG2 GLU 24 HG2 GLU 24 21.656 20.722 18.384
187 HG3 GLU 24 HG3 GLU 24 23.040 19.713 18.784
188 H GLU 25 H GLU 25 22.402 25.340 18.810
189 HA GLU 25 HA GLU 25 25.142 26.371 19.433
190 HB2 GLU 25 HB2 GLU 25 23.435 26.871 16.965
191 HB3 GLU 25 HB3 GLU 25 25.008 27.592 17.267
192 HG2 GLU 25 HG2 GLU 25 24.571 24.593 16.908
193 HG3 GLU 25 HG3 GLU 25 24.958 25.707 15.613
194 H CYS 26 H CYS 26 25.132 28.874 19.036
195 HA CYS 26 HA CYS 26 22.673 30.169 20.098
196 HB2 CYS 26 HB2 CYS 26 25.479 30.276 21.222
197 HB3 CYS 26 HB3 CYS 26 24.343 31.597 21.457
198 H LYS 27 H LYS 27 22.642 32.418 19.876
199 HA LYS 27 HA LYS 27 24.475 33.773 17.948
200 HB2 LYS 27 HB2 LYS 27 21.426 33.671 17.744
201 HB3 LYS 27 HB3 LYS 27 22.412 34.889 16.943
202 HG2 LYS 27 HG2 LYS 27 23.673 33.050 15.770
203 HG3 LYS 27 HG3 LYS 27 22.525 31.894 16.462
204 HD2 LYS 27 HD2 LYS 27 21.713 32.322 14.288
205 HD3 LYS 27 HD3 LYS 27 20.670 33.284 15.349
206 HE2 LYS 27 HE2 LYS 27 22.196 35.268 14.881
207 HE3 LYS 27 HE3 LYS 27 23.060 34.267 13.707
208 HZ1 LYS 27 HZ1 LYS 27 20.172 34.937 13.566
209 HZ2 LYS 27 HZ2 LYS 27 21.348 35.710 12.746
210 HZ3 LYS 27 HZ3 LYS 27 21.007 34.131 12.409
211 H CYS 28 H CYS 28 23.863 36.219 17.944
212 HA CYS 28 HA CYS 28 22.984 37.086 20.667
213 HB2 CYS 28 HB2 CYS 28 24.991 38.605 18.999
214 HB3 CYS 28 HB3 CYS 28 24.447 38.958 20.616
215 H VAL 29 H VAL 29 22.002 39.277 20.673
216 HA VAL 29 HA VAL 29 20.828 40.199 18.129
217 HB VAL 29 HB VAL 29 18.588 40.459 19.110
218 HG11 VAL 29 HG11 VAL 29 19.466 37.551 19.044
219 HG12 VAL 29 HG12 VAL 29 17.823 38.186 18.809
220 HG13 VAL 29 HG13 VAL 29 19.084 38.556 17.631
221 HG21 VAL 29 HG21 VAL 29 19.603 38.710 21.386
222 HG22 VAL 29 HG22 VAL 29 19.019 40.385 21.488
223 HG23 VAL 29 HG23 VAL 29 17.898 39.101 21.061
224 HA PRO 30 HA PRO 30 21.836 44.157 19.859
225 HB2 PRO 30 HB2 PRO 30 19.201 45.132 18.747
226 HB3 PRO 30 HB3 PRO 30 20.832 45.860 18.589
227 HG2 PRO 30 HG2 PRO 30 19.761 44.461 16.531
228 HG3 PRO 30 HG3 PRO 30 21.483 44.214 16.974
229 HD2 PRO 30 HD2 PRO 30 19.088 42.508 17.719
230 HD3 PRO 30 HD3 PRO 30 20.691 42.006 17.099
231 H ALA 31 H ALA 31 21.503 45.238 21.798
232 HA ALA 31 HA ALA 31 19.464 44.100 23.572
233 HB1 ALA 31 HB1 ALA 31 21.754 44.293 24.333
234 HB2 ALA 31 HB2 ALA 31 21.730 46.060 24.104
235 HB3 ALA 31 HB3 ALA 31 20.690 45.290 25.326
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 18.788 18.653 24.827
2 H2 ALA 1 H2 ALA 1 17.595 18.243 25.861
3 H3 ALA 1 H3 ALA 1 19.014 17.411 25.883
4 HA ALA 1 HA ALA 1 18.757 18.959 27.742
5 HB1 ALA 1 HB1 ALA 1 21.021 19.891 25.950
6 HB2 ALA 1 HB2 ALA 1 20.960 19.860 27.720
7 HB3 ALA 1 HB3 ALA 1 21.060 18.337 26.814
8 H PHE 2 H PHE 2 18.261 20.979 28.458
9 HA PHE 2 HA PHE 2 17.112 22.897 26.578
10 HB2 PHE 2 HB2 PHE 2 17.424 22.901 29.596
11 HB3 PHE 2 HB3 PHE 2 16.484 24.067 28.690
12 HD1 PHE 2 HD1 PHE 2 15.946 21.507 30.795
13 HD2 PHE 2 HD2 PHE 2 14.976 22.521 26.711
14 HE1 PHE 2 HE1 PHE 2 14.007 19.957 30.862
15 HE2 PHE 2 HE2 PHE 2 13.060 20.954 26.777
16 HZ PHE 2 HZ PHE 2 12.584 19.660 28.843
17 H CYS 3 H CYS 3 17.515 25.222 26.780
18 HA CYS 3 HA CYS 3 20.166 25.731 25.866
19 HB2 CYS 3 HB2 CYS 3 18.254 26.877 24.957
20 HB3 CYS 3 HB3 CYS 3 17.817 27.524 26.535
21 H ASN 4 H ASN 4 21.966 26.389 26.833
22 HA ASN 4 HA ASN 4 22.047 27.336 29.625
23 HB2 ASN 4 HB2 ASN 4 24.206 26.676 27.567
24 HB3 ASN 4 HB3 ASN 4 24.544 27.373 29.151
25 HD21 ASN 4 HD21 ASN 4 23.417 24.435 30.961
26 HD22 ASN 4 HD22 ASN 4 23.321 26.194 31.016
27 H LEU 5 H LEU 5 20.489 28.933 28.472
28 HA LEU 5 HA LEU 5 21.173 31.164 27.000
29 HB2 LEU 5 HB2 LEU 5 18.943 30.507 27.739
30 HB3 LEU 5 HB3 LEU 5 19.286 30.961 29.402
31 HG LEU 5 HG LEU 5 19.479 33.006 27.180
32 HD11 LEU 5 HD11 LEU 5 17.301 31.878 26.913
33 HD12 LEU 5 HD12 LEU 5 16.931 32.191 28.624
34 HD13 LEU 5 HD13 LEU 5 17.111 33.542 27.481
35 HD21 LEU 5 HD21 LEU 5 20.195 33.798 29.425
36 HD22 LEU 5 HD22 LEU 5 18.639 34.520 29.038
37 HD23 LEU 5 HD23 LEU 5 18.706 33.143 30.145
38 H ARG 6 H ARG 6 21.775 30.778 30.504
39 HA ARG 6 HA ARG 6 22.753 33.401 31.037
40 HB2 ARG 6 HB2 ARG 6 23.190 30.648 32.261
41 HB3 ARG 6 HB3 ARG 6 24.050 32.032 32.909
42 HG2 ARG 6 HG2 ARG 6 21.048 32.224 32.608
43 HG3 ARG 6 HG3 ARG 6 21.741 31.277 33.926
44 HD2 ARG 6 HD2 ARG 6 21.233 33.640 34.590
45 HD3 ARG 6 HD3 ARG 6 22.899 33.147 34.843
46 HE ARG 6 HE ARG 6 23.635 34.481 33.037
47 HH11 ARG 6 HH11 ARG 6 20.108 34.840 33.253
48 HH12 ARG 6 HH12 ARG 6 20.154 36.317 32.330
49 HH21 ARG 6 HH21 ARG 6 23.586 36.375 32.038
50 HH22 ARG 6 HH22 ARG 6 22.053 37.099 31.537
51 H ARG 7 H ARG 7 24.452 30.615 29.866
52 HA ARG 7 HA ARG 7 27.104 31.858 29.664
53 HB2 ARG 7 HB2 ARG 7 26.012 29.342 28.333
54 HB3 ARG 7 HB3 ARG 7 27.684 29.857 28.298
55 HG2 ARG 7 HG2 ARG 7 26.155 29.158 30.848
56 HG3 ARG 7 HG3 ARG 7 27.172 28.038 29.959
57 HD2 ARG 7 HD2 ARG 7 28.165 30.635 31.207
58 HD3 ARG 7 HD3 ARG 7 28.278 29.033 31.944
59 HE ARG 7 HE ARG 7 29.471 28.967 29.330
60 HH11 ARG 7 HH11 ARG 7 30.258 30.065 32.611
61 HH12 ARG 7 HH12 ARG 7 31.964 29.738 32.301
62 HH21 ARG 7 HH21 ARG 7 31.595 28.684 29.121
63 HH22 ARG 7 HH22 ARG 7 32.678 29.004 30.492
64 H CYS 8 H CYS 8 24.356 31.387 27.405
65 HA CYS 8 HA CYS 8 25.723 32.566 25.153
66 HB2 CYS 8 HB2 CYS 8 22.749 32.431 25.764
67 HB3 CYS 8 HB3 CYS 8 23.440 33.013 24.267
68 H GLU 9 H GLU 9 23.628 34.139 27.671
69 HA GLU 9 HA GLU 9 23.862 36.767 26.544
70 HB2 GLU 9 HB2 GLU 9 23.352 35.786 29.376
71 HB3 GLU 9 HB3 GLU 9 23.517 37.503 28.969
72 HG2 GLU 9 HG2 GLU 9 21.714 37.157 27.204
73 HG3 GLU 9 HG3 GLU 9 21.409 35.581 27.943
74 H LEU 10 H LEU 10 26.066 35.006 28.721
75 HA LEU 10 HA LEU 10 27.835 37.191 29.302
76 HB2 LEU 10 HB2 LEU 10 27.697 35.407 30.838
77 HB3 LEU 10 HB3 LEU 10 27.671 34.183 29.572
78 HG LEU 10 HG LEU 10 29.994 34.586 29.085
79 HD11 LEU 10 HD11 LEU 10 29.945 36.319 31.595
80 HD12 LEU 10 HD12 LEU 10 31.413 35.780 30.769
81 HD13 LEU 10 HD13 LEU 10 30.296 36.895 29.957
82 HD21 LEU 10 HD21 LEU 10 29.369 33.870 31.977
83 HD22 LEU 10 HD22 LEU 10 29.339 32.765 30.582
84 HD23 LEU 10 HD23 LEU 10 30.874 33.454 31.131
85 H SER 11 H SER 11 27.785 34.537 26.887
86 HA SER 11 HA SER 11 30.191 35.182 25.513
87 HB2 SER 11 HB2 SER 11 28.774 33.099 25.315
88 HB3 SER 11 HB3 SER 11 27.622 34.020 24.337
89 HG SER 11 HG SER 11 29.217 34.280 22.759
90 H CYS 12 H CYS 12 26.831 36.341 24.884
91 HA CYS 12 HA CYS 12 27.709 38.060 22.708
92 HB2 CYS 12 HB2 CYS 12 25.088 37.941 24.214
93 HB3 CYS 12 HB3 CYS 12 25.379 38.871 22.732
94 H ARG 13 H ARG 13 27.480 38.559 26.205
95 HA ARG 13 HA ARG 13 27.696 41.405 26.232
96 HB2 ARG 13 HB2 ARG 13 27.432 39.593 28.161
97 HB3 ARG 13 HB3 ARG 13 29.194 39.680 28.225
98 HG2 ARG 13 HG2 ARG 13 29.014 42.148 28.578
99 HG3 ARG 13 HG3 ARG 13 27.259 42.031 28.491
100 HD2 ARG 13 HD2 ARG 13 29.054 40.716 30.567
101 HD3 ARG 13 HD3 ARG 13 28.049 42.135 30.827
102 HE ARG 13 HE ARG 13 26.044 40.686 30.372
103 HH11 ARG 13 HH11 ARG 13 28.965 39.076 31.624
104 HH12 ARG 13 HH12 ARG 13 27.987 37.827 32.345
105 HH21 ARG 13 HH21 ARG 13 24.981 38.974 31.213
106 HH22 ARG 13 HH22 ARG 13 25.870 37.671 31.983
107 H SER 14 H SER 14 30.023 38.992 25.304
108 HA SER 14 HA SER 14 32.335 40.807 25.339
109 HB2 SER 14 HB2 SER 14 33.561 39.104 24.353
110 HB3 SER 14 HB3 SER 14 32.421 38.236 25.396
111 HG SER 14 HG SER 14 31.212 37.688 23.603
112 H LEU 15 H LEU 15 29.746 40.123 23.045
113 HA LEU 15 HA LEU 15 30.984 41.641 20.839
114 HB2 LEU 15 HB2 LEU 15 28.437 40.027 21.165
115 HB3 LEU 15 HB3 LEU 15 28.792 40.947 19.695
116 HG LEU 15 HG LEU 15 30.642 38.787 20.759
117 HD11 LEU 15 HD11 LEU 15 28.471 37.791 20.334
118 HD12 LEU 15 HD12 LEU 15 28.391 38.575 18.737
119 HD13 LEU 15 HD13 LEU 15 29.608 37.320 19.052
120 HD21 LEU 15 HD21 LEU 15 31.664 40.354 19.135
121 HD22 LEU 15 HD22 LEU 15 31.438 38.755 18.411
122 HD23 LEU 15 HD23 LEU 15 30.317 40.069 18.011
123 H GLY 16 H GLY 16 28.850 42.217 23.464
124 HA2 GLY 16 HA2 GLY 16 28.523 44.490 24.153
125 HA3 GLY 16 HA3 GLY 16 28.366 45.002 22.480
126 H LEU 17 H LEU 17 26.544 42.114 23.456
127 HA LEU 17 HA LEU 17 24.080 43.605 23.981
128 HB2 LEU 17 HB2 LEU 17 22.928 42.972 22.006
129 HB3 LEU 17 HB3 LEU 17 24.374 43.824 21.521
130 HG LEU 17 HG LEU 17 23.889 40.846 21.461
131 HD11 LEU 17 HD11 LEU 17 23.752 41.131 19.000
132 HD12 LEU 17 HD12 LEU 17 22.546 42.131 19.813
133 HD13 LEU 17 HD13 LEU 17 24.029 42.873 19.188
134 HD21 LEU 17 HD21 LEU 17 26.255 42.450 20.441
135 HD22 LEU 17 HD22 LEU 17 26.267 41.098 21.604
136 HD23 LEU 17 HD23 LEU 17 25.909 40.790 19.909
137 H LEU 18 H LEU 18 22.135 41.780 23.590
138 HA LEU 18 HA LEU 18 22.646 39.855 25.762
139 HB2 LEU 18 HB2 LEU 18 20.187 40.758 24.223
140 HB3 LEU 18 HB3 LEU 18 20.132 39.404 25.332
141 HG LEU 18 HG LEU 18 19.239 41.415 26.318
142 HD11 LEU 18 HD11 LEU 18 20.416 41.382 28.430
143 HD12 LEU 18 HD12 LEU 18 20.296 39.745 27.779
144 HD13 LEU 18 HD13 LEU 18 21.842 40.631 27.697
145 HD21 LEU 18 HD21 LEU 18 20.696 43.088 25.157
146 HD22 LEU 18 HD22 LEU 18 20.487 43.357 26.895
147 HD23 LEU 18 HD23 LEU 18 22.005 42.670 26.292
148 H GLY 19 H GLY 19 21.650 37.567 25.468
149 HA2 GLY 19 HA2 GLY 19 22.282 36.429 22.788
150 HA3 GLY 19 HA3 GLY 19 23.216 35.894 24.178
151 H LYS 20 H LYS 20 21.431 34.493 22.287
152 HA LYS 20 HA LYS 20 19.735 32.938 24.171
153 HB2 LYS 20 HB2 LYS 20 18.698 34.374 21.678
154 HB3 LYS 20 HB3 LYS 20 17.831 33.076 22.497
155 HG2 LYS 20 HG2 LYS 20 17.842 34.421 24.610
156 HG3 LYS 20 HG3 LYS 20 18.604 35.757 23.723
157 HD2 LYS 20 HD2 LYS 20 16.622 35.930 22.259
158 HD3 LYS 20 HD3 LYS 20 15.827 34.648 23.198
159 HE2 LYS 20 HE2 LYS 20 16.100 36.018 25.274
160 HE3 LYS 20 HE3 LYS 20 16.894 37.283 24.335
161 HZ1 LYS 20 HZ1 LYS 20 14.795 37.514 23.055
162 HZ2 LYS 20 HZ2 LYS 20 14.060 36.440 24.066
163 HZ3 LYS 20 HZ3 LYS 20 14.604 37.854 24.664
164 H CYS 21 H CYS 21 19.203 30.805 23.342
165 HA CYS 21 HA CYS 21 21.341 29.741 21.608
166 HB2 CYS 21 HB2 CYS 21 18.959 28.340 22.856
167 HB3 CYS 21 HB3 CYS 21 20.279 27.562 21.983
168 H ILE 22 H ILE 22 21.242 29.272 19.471
169 HA ILE 22 HA ILE 22 18.597 28.771 18.181
170 HB ILE 22 HB ILE 22 20.732 30.460 16.965
171 HG12 ILE 22 HG12 ILE 22 19.370 31.746 18.606
172 HG13 ILE 22 HG13 ILE 22 19.219 32.319 16.959
173 HG21 ILE 22 HG21 ILE 22 18.116 29.422 15.815
174 HG22 ILE 22 HG22 ILE 22 19.067 30.728 15.083
175 HG23 ILE 22 HG23 ILE 22 19.757 29.109 15.223
176 HD11 ILE 22 HD11 ILE 22 17.005 31.344 16.718
177 HD12 ILE 22 HD12 ILE 22 17.134 30.539 18.300
178 HD13 ILE 22 HD13 ILE 22 17.065 32.310 18.200
179 H GLY 23 H GLY 23 18.986 26.720 18.534
180 HA2 GLY 23 HA2 GLY 23 19.567 24.538 17.896
181 HA3 GLY 23 HA3 GLY 23 20.675 25.188 16.687
182 H GLU 24 H GLU 24 22.428 23.902 17.235
183 HA GLU 24 HA GLU 24 23.380 23.605 19.947
184 HB2 GLU 24 HB2 GLU 24 24.800 22.915 17.355
185 HB3 GLU 24 HB3 GLU 24 25.200 22.323 18.969
186 HG2 GLU 24 HG2 GLU 24 22.735 21.657 17.333
187 HG3 GLU 24 HG3 GLU 24 24.044 20.586 17.790
188 H GLU 25 H GLU 25 23.313 26.469 18.941
189 HA GLU 25 HA GLU 25 25.952 27.288 19.936
190 HB2 GLU 25 HB2 GLU 25 26.437 26.762 17.595
191 HB3 GLU 25 HB3 GLU 25 25.141 27.825 17.050
192 HG2 GLU 25 HG2 GLU 25 26.319 29.782 17.874
193 HG3 GLU 25 HG3 GLU 25 27.555 28.768 18.626
194 H CYS 26 H CYS 26 26.047 29.499 20.607
195 HA CYS 26 HA CYS 26 23.466 30.795 21.056
196 HB2 CYS 26 HB2 CYS 26 26.295 31.710 21.630
197 HB3 CYS 26 HB3 CYS 26 24.823 32.465 22.251
198 H LYS 27 H LYS 27 22.588 32.479 20.025
199 HA LYS 27 HA LYS 27 24.189 34.220 18.191
200 HB2 LYS 27 HB2 LYS 27 21.483 32.968 17.781
201 HB3 LYS 27 HB3 LYS 27 21.703 34.633 17.253
202 HG2 LYS 27 HG2 LYS 27 23.703 33.974 15.936
203 HG3 LYS 27 HG3 LYS 27 23.442 32.290 16.398
204 HD2 LYS 27 HD2 LYS 27 21.176 32.390 15.269
205 HD3 LYS 27 HD3 LYS 27 21.557 34.056 14.771
206 HE2 LYS 27 HE2 LYS 27 23.672 33.134 13.700
207 HE3 LYS 27 HE3 LYS 27 23.058 31.509 14.037
208 HZ1 LYS 27 HZ1 LYS 27 22.544 32.219 11.777
209 HZ2 LYS 27 HZ2 LYS 27 21.142 32.016 12.601
210 HZ3 LYS 27 HZ3 LYS 27 21.699 33.536 12.321
211 H CYS 28 H CYS 28 23.431 36.452 18.107
212 HA CYS 28 HA CYS 28 22.677 37.245 20.889
213 HB2 CYS 28 HB2 CYS 28 24.505 38.754 19.034
214 HB3 CYS 28 HB3 CYS 28 24.202 39.016 20.737
215 H VAL 29 H VAL 29 21.574 39.161 21.328
216 HA VAL 29 HA VAL 29 19.775 40.131 19.174
217 HB VAL 29 HB VAL 29 17.797 39.809 20.516
218 HG11 VAL 29 HG11 VAL 29 19.306 37.173 20.261
219 HG12 VAL 29 HG12 VAL 29 17.550 37.423 20.257
220 HG13 VAL 29 HG13 VAL 29 18.525 38.040 18.919
221 HG21 VAL 29 HG21 VAL 29 18.666 39.868 22.787
222 HG22 VAL 29 HG22 VAL 29 17.790 38.367 22.514
223 HG23 VAL 29 HG23 VAL 29 19.568 38.354 22.526
224 HA PRO 30 HA PRO 30 20.553 44.032 20.682
225 HB2 PRO 30 HB2 PRO 30 17.669 44.844 20.341
226 HB3 PRO 30 HB3 PRO 30 19.143 45.580 19.648
227 HG2 PRO 30 HG2 PRO 30 17.566 44.018 18.121
228 HG3 PRO 30 HG3 PRO 30 19.343 43.821 18.022
229 HD2 PRO 30 HD2 PRO 30 17.351 42.201 19.661
230 HD3 PRO 30 HD3 PRO 30 18.617 41.636 18.543
231 H ALA 31 H ALA 31 20.587 45.515 22.335
232 HA ALA 31 HA ALA 31 19.200 44.903 24.877
233 HB1 ALA 31 HB1 ALA 31 20.739 46.561 25.798
234 HB2 ALA 31 HB2 ALA 31 21.643 45.420 24.795
235 HB3 ALA 31 HB3 ALA 31 21.264 47.044 24.171
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 19.139 17.108 25.625
2 H2 ALA 1 H2 ALA 1 18.450 17.198 27.114
3 H3 ALA 1 H3 ALA 1 19.506 15.997 26.798
4 HA ALA 1 HA ALA 1 20.537 17.638 28.146
5 HB1 ALA 1 HB1 ALA 1 22.499 18.130 26.782
6 HB2 ALA 1 HB2 ALA 1 21.974 16.475 26.494
7 HB3 ALA 1 HB3 ALA 1 21.606 17.738 25.294
8 H PHE 2 H PHE 2 21.041 19.771 28.595
9 HA PHE 2 HA PHE 2 19.129 21.707 27.432
10 HB2 PHE 2 HB2 PHE 2 20.800 21.858 29.947
11 HB3 PHE 2 HB3 PHE 2 19.461 22.911 29.500
12 HD1 PHE 2 HD1 PHE 2 17.149 21.671 29.040
13 HD2 PHE 2 HD2 PHE 2 20.351 20.007 31.373
14 HE1 PHE 2 HE1 PHE 2 15.519 20.222 30.223
15 HE2 PHE 2 HE2 PHE 2 18.738 18.523 32.537
16 HZ PHE 2 HZ PHE 2 16.314 18.635 31.974
17 H CYS 3 H CYS 3 19.700 23.880 26.895
18 HA CYS 3 HA CYS 3 22.350 24.112 25.661
19 HB2 CYS 3 HB2 CYS 3 20.261 24.805 24.525
20 HB3 CYS 3 HB3 CYS 3 20.079 26.123 25.680
21 H ASN 4 H ASN 4 23.870 25.724 26.024
22 HA ASN 4 HA ASN 4 24.226 26.574 28.803
23 HB2 ASN 4 HB2 ASN 4 26.053 26.902 26.396
24 HB3 ASN 4 HB3 ASN 4 26.488 27.185 28.084
25 HD21 ASN 4 HD21 ASN 4 26.501 23.555 28.747
26 HD22 ASN 4 HD22 ASN 4 25.771 24.986 29.484
27 H LEU 5 H LEU 5 22.094 27.861 27.984
28 HA LEU 5 HA LEU 5 22.366 30.227 26.495
29 HB2 LEU 5 HB2 LEU 5 20.240 29.037 26.974
30 HB3 LEU 5 HB3 LEU 5 20.327 29.599 28.639
31 HG LEU 5 HG LEU 5 20.238 32.001 27.718
32 HD11 LEU 5 HD11 LEU 5 19.359 30.566 25.208
33 HD12 LEU 5 HD12 LEU 5 19.292 32.316 25.510
34 HD13 LEU 5 HD13 LEU 5 20.869 31.514 25.380
35 HD21 LEU 5 HD21 LEU 5 18.286 30.883 28.726
36 HD22 LEU 5 HD22 LEU 5 17.808 31.930 27.381
37 HD23 LEU 5 HD23 LEU 5 17.878 30.168 27.151
38 H ARG 6 H ARG 6 22.705 29.962 30.104
39 HA ARG 6 HA ARG 6 22.808 32.794 30.559
40 HB2 ARG 6 HB2 ARG 6 22.291 30.961 32.213
41 HB3 ARG 6 HB3 ARG 6 24.008 30.538 32.230
42 HG2 ARG 6 HG2 ARG 6 24.546 32.771 33.139
43 HG3 ARG 6 HG3 ARG 6 22.845 33.263 32.976
44 HD2 ARG 6 HD2 ARG 6 23.149 32.679 35.262
45 HD3 ARG 6 HD3 ARG 6 22.241 31.349 34.517
46 HE ARG 6 HE ARG 6 25.077 30.824 34.423
47 HH11 ARG 6 HH11 ARG 6 26.203 29.796 35.934
48 HH12 ARG 6 HH12 ARG 6 25.439 29.151 37.380
49 HH21 ARG 6 HH21 ARG 6 22.389 30.653 36.717
50 HH22 ARG 6 HH22 ARG 6 23.379 29.887 37.920
51 H ARG 7 H ARG 7 25.300 30.421 29.770
52 HA ARG 7 HA ARG 7 27.519 32.366 29.830
53 HB2 ARG 7 HB2 ARG 7 27.225 29.542 28.739
54 HB3 ARG 7 HB3 ARG 7 28.634 30.552 28.416
55 HG2 ARG 7 HG2 ARG 7 28.932 30.838 30.916
56 HG3 ARG 7 HG3 ARG 7 27.690 29.584 31.140
57 HD2 ARG 7 HD2 ARG 7 29.060 27.993 29.826
58 HD3 ARG 7 HD3 ARG 7 30.226 29.284 29.479
59 HE ARG 7 HE ARG 7 29.842 28.812 32.335
60 HH11 ARG 7 HH11 ARG 7 31.866 28.034 29.548
61 HH12 ARG 7 HH12 ARG 7 33.277 27.865 30.581
62 HH21 ARG 7 HH21 ARG 7 31.500 27.931 33.515
63 HH22 ARG 7 HH22 ARG 7 33.030 27.584 32.732
64 H CYS 8 H CYS 8 25.345 31.115 27.263
65 HA CYS 8 HA CYS 8 26.557 32.469 25.082
66 HB2 CYS 8 HB2 CYS 8 24.866 30.719 24.839
67 HB3 CYS 8 HB3 CYS 8 23.660 31.751 25.610
68 H GLU 9 H GLU 9 24.042 33.653 27.366
69 HA GLU 9 HA GLU 9 23.742 36.306 26.379
70 HB2 GLU 9 HB2 GLU 9 23.550 35.038 29.119
71 HB3 GLU 9 HB3 GLU 9 23.290 36.759 28.918
72 HG2 GLU 9 HG2 GLU 9 21.754 34.830 27.149
73 HG3 GLU 9 HG3 GLU 9 21.288 35.033 28.838
74 H LEU 10 H LEU 10 26.235 35.072 28.719
75 HA LEU 10 HA LEU 10 27.395 37.642 29.180
76 HB2 LEU 10 HB2 LEU 10 27.256 35.974 30.874
77 HB3 LEU 10 HB3 LEU 10 27.897 34.720 29.815
78 HG LEU 10 HG LEU 10 30.043 35.783 29.791
79 HD11 LEU 10 HD11 LEU 10 30.606 37.507 31.537
80 HD12 LEU 10 HD12 LEU 10 29.432 38.139 30.374
81 HD13 LEU 10 HD13 LEU 10 28.890 37.598 31.977
82 HD21 LEU 10 HD21 LEU 10 29.594 33.972 31.361
83 HD22 LEU 10 HD22 LEU 10 30.663 35.144 32.134
84 HD23 LEU 10 HD23 LEU 10 28.937 35.118 32.553
85 H SER 11 H SER 11 28.073 34.954 26.937
86 HA SER 11 HA SER 11 30.533 35.937 25.839
87 HB2 SER 11 HB2 SER 11 29.734 33.672 25.437
88 HB3 SER 11 HB3 SER 11 28.300 34.284 24.592
89 HG SER 11 HG SER 11 29.445 34.579 22.849
90 H CYS 12 H CYS 12 27.110 36.718 25.087
91 HA CYS 12 HA CYS 12 27.873 38.555 22.935
92 HB2 CYS 12 HB2 CYS 12 25.204 38.066 24.283
93 HB3 CYS 12 HB3 CYS 12 25.480 38.990 22.787
94 H ARG 13 H ARG 13 26.997 38.925 26.380
95 HA ARG 13 HA ARG 13 26.932 41.721 26.616
96 HB2 ARG 13 HB2 ARG 13 26.637 39.982 28.431
97 HB3 ARG 13 HB3 ARG 13 28.395 39.794 28.462
98 HG2 ARG 13 HG2 ARG 13 28.501 42.336 28.968
99 HG3 ARG 13 HG3 ARG 13 26.762 42.223 29.271
100 HD2 ARG 13 HD2 ARG 13 28.980 40.643 30.645
101 HD3 ARG 13 HD3 ARG 13 28.093 42.010 31.341
102 HE ARG 13 HE ARG 13 26.255 39.936 30.525
103 HH11 ARG 13 HH11 ARG 13 28.465 40.613 33.206
104 HH12 ARG 13 HH12 ARG 13 27.220 40.056 34.340
105 HH21 ARG 13 HH21 ARG 13 25.100 38.909 31.957
106 HH22 ARG 13 HH22 ARG 13 25.488 39.038 33.676
107 H SER 14 H SER 14 29.785 39.634 26.215
108 HA SER 14 HA SER 14 31.808 41.564 26.569
109 HB2 SER 14 HB2 SER 14 33.298 40.114 25.578
110 HB3 SER 14 HB3 SER 14 32.081 39.042 26.276
111 HG SER 14 HG SER 14 31.283 38.627 24.239
112 H LEU 15 H LEU 15 29.686 41.169 23.805
113 HA LEU 15 HA LEU 15 31.135 43.250 22.249
114 HB2 LEU 15 HB2 LEU 15 29.023 41.268 21.352
115 HB3 LEU 15 HB3 LEU 15 29.900 42.407 20.324
116 HG LEU 15 HG LEU 15 31.046 39.982 21.765
117 HD11 LEU 15 HD11 LEU 15 30.724 40.659 18.813
118 HD12 LEU 15 HD12 LEU 15 31.443 39.176 19.480
119 HD13 LEU 15 HD13 LEU 15 29.723 39.513 19.734
120 HD21 LEU 15 HD21 LEU 15 32.463 42.067 20.050
121 HD22 LEU 15 HD22 LEU 15 32.785 41.704 21.763
122 HD23 LEU 15 HD23 LEU 15 33.158 40.503 20.526
123 H GLY 16 H GLY 16 28.810 43.299 24.518
124 HA2 GLY 16 HA2 GLY 16 27.595 45.169 25.151
125 HA3 GLY 16 HA3 GLY 16 27.816 45.876 23.553
126 H LEU 17 H LEU 17 26.407 42.687 23.461
127 HA LEU 17 HA LEU 17 23.644 43.778 23.411
128 HB2 LEU 17 HB2 LEU 17 23.156 42.964 21.297
129 HB3 LEU 17 HB3 LEU 17 24.628 43.902 21.127
130 HG LEU 17 HG LEU 17 24.368 40.886 21.198
131 HD11 LEU 17 HD11 LEU 17 23.392 41.987 19.153
132 HD12 LEU 17 HD12 LEU 17 24.985 42.706 18.829
133 HD13 LEU 17 HD13 LEU 17 24.772 40.952 18.782
134 HD21 LEU 17 HD21 LEU 17 26.774 42.641 20.586
135 HD22 LEU 17 HD22 LEU 17 26.605 41.443 21.889
136 HD23 LEU 17 HD23 LEU 17 26.698 40.902 20.217
137 H LEU 18 H LEU 18 22.118 41.674 22.791
138 HA LEU 18 HA LEU 18 22.378 40.065 25.260
139 HB2 LEU 18 HB2 LEU 18 20.157 40.187 23.198
140 HB3 LEU 18 HB3 LEU 18 20.068 39.399 24.768
141 HG LEU 18 HG LEU 18 20.367 42.401 24.312
142 HD11 LEU 18 HD11 LEU 18 18.029 42.501 25.114
143 HD12 LEU 18 HD12 LEU 18 18.179 41.557 23.622
144 HD13 LEU 18 HD13 LEU 18 17.973 40.725 25.176
145 HD21 LEU 18 HD21 LEU 18 19.857 42.608 26.710
146 HD22 LEU 18 HD22 LEU 18 19.827 40.839 26.864
147 HD23 LEU 18 HD23 LEU 18 21.344 41.683 26.468
148 H GLY 19 H GLY 19 21.944 37.713 25.213
149 HA2 GLY 19 HA2 GLY 19 22.951 36.376 22.707
150 HA3 GLY 19 HA3 GLY 19 23.250 35.758 24.323
151 H LYS 20 H LYS 20 21.947 34.483 21.992
152 HA LYS 20 HA LYS 20 19.554 33.485 23.438
153 HB2 LYS 20 HB2 LYS 20 18.989 35.398 21.779
154 HB3 LYS 20 HB3 LYS 20 19.362 34.239 20.505
155 HG2 LYS 20 HG2 LYS 20 17.638 32.677 21.568
156 HG3 LYS 20 HG3 LYS 20 17.229 33.993 22.679
157 HD2 LYS 20 HD2 LYS 20 16.999 34.049 19.646
158 HD3 LYS 20 HD3 LYS 20 15.656 33.844 20.771
159 HE2 LYS 20 HE2 LYS 20 15.882 36.098 21.617
160 HE3 LYS 20 HE3 LYS 20 17.431 36.307 20.788
161 HZ1 LYS 20 HZ1 LYS 20 16.210 36.004 18.664
162 HZ2 LYS 20 HZ2 LYS 20 14.782 36.112 19.455
163 HZ3 LYS 20 HZ3 LYS 20 15.835 37.380 19.431
164 H CYS 21 H CYS 21 19.409 31.316 23.353
165 HA CYS 21 HA CYS 21 21.062 29.793 21.423
166 HB2 CYS 21 HB2 CYS 21 20.949 29.179 23.823
167 HB3 CYS 21 HB3 CYS 21 19.248 28.756 23.618
168 H ILE 22 H ILE 22 20.337 29.100 19.540
169 HA ILE 22 HA ILE 22 17.453 29.353 18.865
170 HB ILE 22 HB ILE 22 19.685 29.026 16.873
171 HG12 ILE 22 HG12 ILE 22 20.465 30.915 18.194
172 HG13 ILE 22 HG13 ILE 22 19.923 31.426 16.617
173 HG21 ILE 22 HG21 ILE 22 17.404 28.871 15.968
174 HG22 ILE 22 HG22 ILE 22 16.943 30.379 16.753
175 HG23 ILE 22 HG23 ILE 22 18.137 30.380 15.437
176 HD11 ILE 22 HD11 ILE 22 19.255 33.005 18.399
177 HD12 ILE 22 HD12 ILE 22 17.842 32.349 17.563
178 HD13 ILE 22 HD13 ILE 22 18.287 31.743 19.176
179 H GLY 23 H GLY 23 18.238 27.135 20.418
180 HA2 GLY 23 HA2 GLY 23 17.938 24.861 20.585
181 HA3 GLY 23 HA3 GLY 23 17.410 24.816 18.903
182 H GLU 24 H GLU 24 19.294 25.329 17.331
183 HA GLU 24 HA GLU 24 21.182 23.132 17.568
184 HB2 GLU 24 HB2 GLU 24 20.064 23.682 15.476
185 HB3 GLU 24 HB3 GLU 24 20.682 25.333 15.522
186 HG2 GLU 24 HG2 GLU 24 21.844 23.983 13.865
187 HG3 GLU 24 HG3 GLU 24 22.943 24.595 15.075
188 H GLU 25 H GLU 25 21.469 26.646 17.945
189 HA GLU 25 HA GLU 25 24.264 26.462 18.806
190 HB2 GLU 25 HB2 GLU 25 25.090 27.908 17.001
191 HB3 GLU 25 HB3 GLU 25 24.477 26.379 16.390
192 HG2 GLU 25 HG2 GLU 25 22.260 27.714 15.923
193 HG3 GLU 25 HG3 GLU 25 23.276 29.149 16.104
194 H CYS 26 H CYS 26 25.109 28.425 19.654
195 HA CYS 26 HA CYS 26 23.152 30.413 20.643
196 HB2 CYS 26 HB2 CYS 26 24.787 29.639 22.232
197 HB3 CYS 26 HB3 CYS 26 26.092 29.858 21.080
198 H LYS 27 H LYS 27 23.050 32.539 19.996
199 HA LYS 27 HA LYS 27 25.218 33.784 18.494
200 HB2 LYS 27 HB2 LYS 27 24.135 34.485 16.590
201 HB3 LYS 27 HB3 LYS 27 23.832 32.756 16.708
202 HG2 LYS 27 HG2 LYS 27 21.561 33.254 17.653
203 HG3 LYS 27 HG3 LYS 27 21.880 34.985 17.387
204 HD2 LYS 27 HD2 LYS 27 22.332 34.471 14.958
205 HD3 LYS 27 HD3 LYS 27 21.819 32.791 15.265
206 HE2 LYS 27 HE2 LYS 27 19.664 33.698 16.167
207 HE3 LYS 27 HE3 LYS 27 20.201 35.324 15.722
208 HZ1 LYS 27 HZ1 LYS 27 20.334 34.525 13.390
209 HZ2 LYS 27 HZ2 LYS 27 19.785 33.063 13.831
210 HZ3 LYS 27 HZ3 LYS 27 18.783 34.363 13.982
211 H CYS 28 H CYS 28 25.010 36.135 18.323
212 HA CYS 28 HA CYS 28 23.529 37.189 20.649
213 HB2 CYS 28 HB2 CYS 28 25.591 38.630 18.989
214 HB3 CYS 28 HB3 CYS 28 24.964 39.054 20.568
215 H VAL 29 H VAL 29 22.277 39.057 20.624
216 HA VAL 29 HA VAL 29 21.077 39.905 18.046
217 HB VAL 29 HB VAL 29 18.822 39.547 18.875
218 HG11 VAL 29 HG11 VAL 29 20.355 36.926 19.032
219 HG12 VAL 29 HG12 VAL 29 18.655 37.164 18.589
220 HG13 VAL 29 HG13 VAL 29 19.930 37.768 17.523
221 HG21 VAL 29 HG21 VAL 29 20.062 38.140 21.270
222 HG22 VAL 29 HG22 VAL 29 19.115 39.651 21.281
223 HG23 VAL 29 HG23 VAL 29 18.339 38.146 20.830
224 HA PRO 30 HA PRO 30 21.360 43.836 19.812
225 HB2 PRO 30 HB2 PRO 30 19.289 45.284 18.700
226 HB3 PRO 30 HB3 PRO 30 20.745 44.744 17.815
227 HG2 PRO 30 HG2 PRO 30 18.037 43.368 17.941
228 HG3 PRO 30 HG3 PRO 30 19.022 43.744 16.494
229 HD2 PRO 30 HD2 PRO 30 19.075 41.302 17.603
230 HD3 PRO 30 HD3 PRO 30 20.593 42.048 17.012
231 H ALA 31 H ALA 31 20.914 44.967 21.572
232 HA ALA 31 HA ALA 31 18.946 44.042 23.486
233 HB1 ALA 31 HB1 ALA 31 20.040 45.692 24.960
234 HB2 ALA 31 HB2 ALA 31 21.252 44.713 24.112
235 HB3 ALA 31 HB3 ALA 31 20.914 46.374 23.574
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 23.965 17.246 22.366
2 H2 ALA 1 H2 ALA 1 24.328 18.778 21.863
3 H3 ALA 1 H3 ALA 1 22.774 18.246 21.853
4 HA ALA 1 HA ALA 1 22.705 18.018 24.192
5 HB1 ALA 1 HB1 ALA 1 24.515 18.972 25.579
6 HB2 ALA 1 HB2 ALA 1 25.113 17.629 24.587
7 HB3 ALA 1 HB3 ALA 1 25.471 19.314 24.118
8 H PHE 2 H PHE 2 21.898 19.775 25.491
9 HA PHE 2 HA PHE 2 20.877 21.974 23.935
10 HB2 PHE 2 HB2 PHE 2 21.082 21.738 26.959
11 HB3 PHE 2 HB3 PHE 2 20.030 22.817 26.071
12 HD1 PHE 2 HD1 PHE 2 19.253 20.433 23.959
13 HD2 PHE 2 HD2 PHE 2 19.193 20.948 28.249
14 HE1 PHE 2 HE1 PHE 2 17.415 18.799 24.138
15 HE2 PHE 2 HE2 PHE 2 17.333 19.326 28.400
16 HZ PHE 2 HZ PHE 2 16.453 18.220 26.354
17 H CYS 3 H CYS 3 21.345 24.148 23.867
18 HA CYS 3 HA CYS 3 24.051 24.940 24.138
19 HB2 CYS 3 HB2 CYS 3 23.287 27.100 23.409
20 HB3 CYS 3 HB3 CYS 3 22.491 25.835 22.491
21 H ASN 4 H ASN 4 25.082 26.340 25.452
22 HA ASN 4 HA ASN 4 24.356 26.494 28.275
23 HB2 ASN 4 HB2 ASN 4 26.818 27.251 26.624
24 HB3 ASN 4 HB3 ASN 4 26.707 27.436 28.374
25 HD21 ASN 4 HD21 ASN 4 26.892 23.979 29.105
26 HD22 ASN 4 HD22 ASN 4 26.366 25.569 29.691
27 H LEU 5 H LEU 5 22.494 27.892 26.981
28 HA LEU 5 HA LEU 5 22.831 30.425 26.082
29 HB2 LEU 5 HB2 LEU 5 20.709 28.947 26.441
30 HB3 LEU 5 HB3 LEU 5 20.468 29.909 27.891
31 HG LEU 5 HG LEU 5 20.707 30.996 25.035
32 HD11 LEU 5 HD11 LEU 5 18.279 31.293 25.135
33 HD12 LEU 5 HD12 LEU 5 18.693 29.594 25.398
34 HD13 LEU 5 HD13 LEU 5 18.238 30.617 26.776
35 HD21 LEU 5 HD21 LEU 5 21.241 32.825 26.480
36 HD22 LEU 5 HD22 LEU 5 19.564 33.043 26.027
37 HD23 LEU 5 HD23 LEU 5 19.955 32.395 27.634
38 H ARG 6 H ARG 6 22.753 29.677 29.595
39 HA ARG 6 HA ARG 6 22.825 32.336 30.617
40 HB2 ARG 6 HB2 ARG 6 22.441 30.270 31.915
41 HB3 ARG 6 HB3 ARG 6 24.115 29.772 31.671
42 HG2 ARG 6 HG2 ARG 6 24.896 31.716 32.989
43 HG3 ARG 6 HG3 ARG 6 23.240 32.339 33.044
44 HD2 ARG 6 HD2 ARG 6 23.677 31.314 35.157
45 HD3 ARG 6 HD3 ARG 6 22.542 30.277 34.279
46 HE ARG 6 HE ARG 6 25.240 29.410 33.796
47 HH11 ARG 6 HH11 ARG 6 22.595 29.084 36.053
48 HH12 ARG 6 HH12 ARG 6 23.451 27.937 37.058
49 HH21 ARG 6 HH21 ARG 6 26.284 27.877 35.075
50 HH22 ARG 6 HH22 ARG 6 25.451 27.186 36.442
51 H ARG 7 H ARG 7 25.545 30.267 29.565
52 HA ARG 7 HA ARG 7 27.641 32.229 30.106
53 HB2 ARG 7 HB2 ARG 7 28.009 29.831 30.272
54 HB3 ARG 7 HB3 ARG 7 27.424 29.563 28.651
55 HG2 ARG 7 HG2 ARG 7 29.769 29.294 28.798
56 HG3 ARG 7 HG3 ARG 7 29.335 30.572 27.662
57 HD2 ARG 7 HD2 ARG 7 29.997 31.453 30.461
58 HD3 ARG 7 HD3 ARG 7 31.309 30.706 29.547
59 HE ARG 7 HE ARG 7 29.948 32.728 27.978
60 HH11 ARG 7 HH11 ARG 7 32.559 32.389 30.350
61 HH12 ARG 7 HH12 ARG 7 33.215 33.947 29.855
62 HH21 ARG 7 HH21 ARG 7 31.128 34.353 27.237
63 HH22 ARG 7 HH22 ARG 7 32.466 35.006 28.199
64 H CYS 8 H CYS 8 25.750 31.120 27.276
65 HA CYS 8 HA CYS 8 27.046 32.693 25.306
66 HB2 CYS 8 HB2 CYS 8 24.095 32.017 25.431
67 HB3 CYS 8 HB3 CYS 8 24.996 32.522 24.014
68 H GLU 9 H GLU 9 24.260 33.670 27.433
69 HA GLU 9 HA GLU 9 23.979 36.343 26.434
70 HB2 GLU 9 HB2 GLU 9 23.455 35.031 29.101
71 HB3 GLU 9 HB3 GLU 9 23.255 36.767 28.924
72 HG2 GLU 9 HG2 GLU 9 21.890 35.079 26.852
73 HG3 GLU 9 HG3 GLU 9 21.286 34.929 28.497
74 H LEU 10 H LEU 10 26.225 35.086 28.960
75 HA LEU 10 HA LEU 10 27.390 37.611 29.607
76 HB2 LEU 10 HB2 LEU 10 27.425 35.939 31.232
77 HB3 LEU 10 HB3 LEU 10 27.793 34.668 30.084
78 HG LEU 10 HG LEU 10 30.050 35.511 29.834
79 HD11 LEU 10 HD11 LEU 10 31.020 37.021 31.525
80 HD12 LEU 10 HD12 LEU 10 29.699 37.849 30.693
81 HD13 LEU 10 HD13 LEU 10 29.439 37.190 32.316
82 HD21 LEU 10 HD21 LEU 10 29.253 34.764 32.679
83 HD22 LEU 10 HD22 LEU 10 29.516 33.628 31.342
84 HD23 LEU 10 HD23 LEU 10 30.872 34.578 31.975
85 H SER 11 H SER 11 28.285 35.040 27.254
86 HA SER 11 HA SER 11 30.638 36.253 26.174
87 HB2 SER 11 HB2 SER 11 28.574 34.501 24.768
88 HB3 SER 11 HB3 SER 11 30.218 34.810 24.220
89 HG SER 11 HG SER 11 29.913 32.809 25.360
90 H CYS 12 H CYS 12 27.181 36.734 25.323
91 HA CYS 12 HA CYS 12 27.837 38.504 23.092
92 HB2 CYS 12 HB2 CYS 12 25.198 38.024 24.504
93 HB3 CYS 12 HB3 CYS 12 25.426 38.853 22.955
94 H ARG 13 H ARG 13 26.893 39.014 26.537
95 HA ARG 13 HA ARG 13 26.633 41.841 26.441
96 HB2 ARG 13 HB2 ARG 13 27.531 39.952 28.658
97 HB3 ARG 13 HB3 ARG 13 27.171 41.640 28.888
98 HG2 ARG 13 HG2 ARG 13 25.407 39.418 28.973
99 HG3 ARG 13 HG3 ARG 13 25.112 41.090 29.405
100 HD2 ARG 13 HD2 ARG 13 24.469 41.583 27.019
101 HD3 ARG 13 HD3 ARG 13 24.731 39.893 26.631
102 HE ARG 13 HE ARG 13 22.780 39.259 27.655
103 HH11 ARG 13 HH11 ARG 13 23.264 42.658 28.390
104 HH12 ARG 13 HH12 ARG 13 21.577 42.892 28.799
105 HH21 ARG 13 HH21 ARG 13 20.801 39.550 28.134
106 HH22 ARG 13 HH22 ARG 13 20.155 41.109 28.680
107 H SER 14 H SER 14 29.498 39.832 26.696
108 HA SER 14 HA SER 14 31.458 41.921 26.980
109 HB2 SER 14 HB2 SER 14 32.105 39.646 27.328
110 HB3 SER 14 HB3 SER 14 31.597 39.178 25.702
111 HG SER 14 HG SER 14 33.690 41.037 26.267
112 H LEU 15 H LEU 15 29.845 40.612 24.041
113 HA LEU 15 HA LEU 15 31.311 42.366 22.218
114 HB2 LEU 15 HB2 LEU 15 28.978 40.473 21.839
115 HB3 LEU 15 HB3 LEU 15 29.758 41.337 20.527
116 HG LEU 15 HG LEU 15 31.146 39.294 22.341
117 HD11 LEU 15 HD11 LEU 15 30.072 39.025 19.491
118 HD12 LEU 15 HD12 LEU 15 30.998 37.801 20.395
119 HD13 LEU 15 HD13 LEU 15 29.390 38.267 20.948
120 HD21 LEU 15 HD21 LEU 15 32.877 39.317 20.550
121 HD22 LEU 15 HD22 LEU 15 32.027 40.651 19.741
122 HD23 LEU 15 HD23 LEU 15 32.750 40.876 21.353
123 H GLY 16 H GLY 16 28.733 42.852 24.304
124 HA2 GLY 16 HA2 GLY 16 27.840 44.980 24.745
125 HA3 GLY 16 HA3 GLY 16 28.159 45.486 23.083
126 H LEU 17 H LEU 17 26.487 42.421 23.353
127 HA LEU 17 HA LEU 17 23.827 43.677 23.065
128 HB2 LEU 17 HB2 LEU 17 23.378 42.772 20.956
129 HB3 LEU 17 HB3 LEU 17 24.859 43.683 20.811
130 HG LEU 17 HG LEU 17 24.540 40.670 20.961
131 HD11 LEU 17 HD11 LEU 17 25.263 42.477 18.601
132 HD12 LEU 17 HD12 LEU 17 25.151 40.706 18.554
133 HD13 LEU 17 HD13 LEU 17 23.707 41.674 18.843
134 HD21 LEU 17 HD21 LEU 17 26.744 41.177 21.762
135 HD22 LEU 17 HD22 LEU 17 26.912 40.588 20.116
136 HD23 LEU 17 HD23 LEU 17 27.035 42.335 20.438
137 H LEU 18 H LEU 18 22.118 41.790 22.567
138 HA LEU 18 HA LEU 18 22.147 40.303 25.079
139 HB2 LEU 18 HB2 LEU 18 20.051 40.240 22.882
140 HB3 LEU 18 HB3 LEU 18 19.847 39.814 24.572
141 HG LEU 18 HG LEU 18 20.288 42.616 23.435
142 HD11 LEU 18 HD11 LEU 18 18.060 41.699 23.005
143 HD12 LEU 18 HD12 LEU 18 17.871 41.269 24.718
144 HD13 LEU 18 HD13 LEU 18 17.969 42.972 24.237
145 HD21 LEU 18 HD21 LEU 18 19.754 41.767 26.309
146 HD22 LEU 18 HD22 LEU 18 21.287 42.445 25.700
147 HD23 LEU 18 HD23 LEU 18 19.822 43.434 25.706
148 H GLY 19 H GLY 19 21.846 37.980 25.322
149 HA2 GLY 19 HA2 GLY 19 22.908 36.372 23.027
150 HA3 GLY 19 HA3 GLY 19 22.925 35.884 24.711
151 H LYS 20 H LYS 20 21.725 34.837 22.054
152 HA LYS 20 HA LYS 20 19.253 33.752 23.254
153 HB2 LYS 20 HB2 LYS 20 19.337 35.255 20.594
154 HB3 LYS 20 HB3 LYS 20 18.052 34.139 21.048
155 HG2 LYS 20 HG2 LYS 20 17.844 35.544 23.226
156 HG3 LYS 20 HG3 LYS 20 18.792 36.763 22.362
157 HD2 LYS 20 HD2 LYS 20 17.018 36.806 20.587
158 HD3 LYS 20 HD3 LYS 20 16.087 35.621 21.537
159 HE2 LYS 20 HE2 LYS 20 16.110 37.165 23.488
160 HE3 LYS 20 HE3 LYS 20 17.023 38.352 22.550
161 HZ1 LYS 20 HZ1 LYS 20 14.754 38.940 22.516
162 HZ2 LYS 20 HZ2 LYS 20 15.119 38.442 21.004
163 HZ3 LYS 20 HZ3 LYS 20 14.258 37.438 21.994
164 H CYS 21 H CYS 21 18.397 31.922 21.864
165 HA CYS 21 HA CYS 21 20.525 30.437 20.432
166 HB2 CYS 21 HB2 CYS 21 21.083 29.961 22.721
167 HB3 CYS 21 HB3 CYS 21 19.392 29.692 23.141
168 H ILE 22 H ILE 22 19.913 28.629 19.345
169 HA ILE 22 HA ILE 22 17.069 27.742 19.372
170 HB ILE 22 HB ILE 22 18.756 28.072 16.893
171 HG12 ILE 22 HG12 ILE 22 17.791 30.237 17.608
172 HG13 ILE 22 HG13 ILE 22 17.161 29.673 16.075
173 HG21 ILE 22 HG21 ILE 22 16.726 27.284 15.672
174 HG22 ILE 22 HG22 ILE 22 17.453 26.043 16.691
175 HG23 ILE 22 HG23 ILE 22 15.983 26.868 17.237
176 HD11 ILE 22 HD11 ILE 22 15.418 30.701 17.501
177 HD12 ILE 22 HD12 ILE 22 15.037 29.026 17.088
178 HD13 ILE 22 HD13 ILE 22 15.644 29.423 18.709
179 H GLY 23 H GLY 23 17.339 25.994 20.452
180 HA2 GLY 23 HA2 GLY 23 17.871 23.876 21.134
181 HA3 GLY 23 HA3 GLY 23 18.310 23.575 19.466
182 H GLU 24 H GLU 24 20.395 23.310 18.947
183 HA GLU 24 HA GLU 24 22.439 23.098 21.072
184 HB2 GLU 24 HB2 GLU 24 21.828 21.202 19.631
185 HB3 GLU 24 HB3 GLU 24 22.362 22.093 18.205
186 HG2 GLU 24 HG2 GLU 24 24.653 21.867 18.818
187 HG3 GLU 24 HG3 GLU 24 24.256 21.454 20.488
188 H GLU 25 H GLU 25 21.546 25.723 19.373
189 HA GLU 25 HA GLU 25 24.358 26.694 18.992
190 HB2 GLU 25 HB2 GLU 25 23.681 25.845 16.857
191 HB3 GLU 25 HB3 GLU 25 22.123 26.659 16.977
192 HG2 GLU 25 HG2 GLU 25 23.295 27.875 15.401
193 HG3 GLU 25 HG3 GLU 25 23.337 28.882 16.830
194 H CYS 26 H CYS 26 24.670 28.409 20.119
195 HA CYS 26 HA CYS 26 22.592 30.424 20.733
196 HB2 CYS 26 HB2 CYS 26 25.497 30.063 21.505
197 HB3 CYS 26 HB3 CYS 26 24.594 31.528 21.860
198 H LYS 27 H LYS 27 22.457 32.382 19.764
199 HA LYS 27 HA LYS 27 24.788 33.563 18.346
200 HB2 LYS 27 HB2 LYS 27 22.052 33.348 17.010
201 HB3 LYS 27 HB3 LYS 27 23.423 34.303 16.427
202 HG2 LYS 27 HG2 LYS 27 24.741 32.210 16.154
203 HG3 LYS 27 HG3 LYS 27 23.337 31.267 16.685
204 HD2 LYS 27 HD2 LYS 27 21.988 32.311 14.843
205 HD3 LYS 27 HD3 LYS 27 23.465 33.082 14.238
206 HE2 LYS 27 HE2 LYS 27 22.928 30.086 14.513
207 HE3 LYS 27 HE3 LYS 27 22.897 31.036 13.026
208 HZ1 LYS 27 HZ1 LYS 27 25.324 31.608 13.657
209 HZ2 LYS 27 HZ2 LYS 27 25.245 30.230 14.585
210 HZ3 LYS 27 HZ3 LYS 27 24.997 30.124 12.989
211 H CYS 28 H CYS 28 24.960 35.724 18.676
212 HA CYS 28 HA CYS 28 23.197 36.890 20.687
213 HB2 CYS 28 HB2 CYS 28 25.406 38.335 19.217
214 HB3 CYS 28 HB3 CYS 28 24.738 38.669 20.792
215 H VAL 29 H VAL 29 22.048 38.916 20.523
216 HA VAL 29 HA VAL 29 21.558 40.021 17.829
217 HB VAL 29 HB VAL 29 19.143 40.138 18.118
218 HG11 VAL 29 HG11 VAL 29 20.103 37.253 18.231
219 HG12 VAL 29 HG12 VAL 29 18.597 37.863 17.521
220 HG13 VAL 29 HG13 VAL 29 20.148 38.306 16.797
221 HG21 VAL 29 HG21 VAL 29 17.950 38.747 19.725
222 HG22 VAL 29 HG22 VAL 29 19.482 38.258 20.492
223 HG23 VAL 29 HG23 VAL 29 18.925 39.945 20.566
224 HA PRO 30 HA PRO 30 21.490 43.826 20.241
225 HB2 PRO 30 HB2 PRO 30 19.845 44.961 18.033
226 HB3 PRO 30 HB3 PRO 30 21.351 45.589 18.741
227 HG2 PRO 30 HG2 PRO 30 21.363 44.395 16.302
228 HG3 PRO 30 HG3 PRO 30 22.666 44.039 17.486
229 HD2 PRO 30 HD2 PRO 30 20.157 42.414 16.919
230 HD3 PRO 30 HD3 PRO 30 21.876 41.877 17.005
231 H ALA 31 H ALA 31 20.002 45.255 21.350
232 HA ALA 31 HA ALA 31 17.554 44.068 22.241
233 HB1 ALA 31 HB1 ALA 31 17.349 46.155 23.536
234 HB2 ALA 31 HB2 ALA 31 18.990 45.502 23.629
235 HB3 ALA 31 HB3 ALA 31 18.655 46.891 22.575
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 18.407 22.493 22.380
2 H2 ALA 1 H2 ALA 1 17.326 21.281 22.602
3 H3 ALA 1 H3 ALA 1 18.731 20.992 21.781
4 HA ALA 1 HA ALA 1 18.477 21.701 24.618
5 HB1 ALA 1 HB1 ALA 1 19.238 19.397 25.092
6 HB2 ALA 1 HB2 ALA 1 17.739 19.370 24.162
7 HB3 ALA 1 HB3 ALA 1 19.286 19.041 23.350
8 H PHE 2 H PHE 2 20.445 21.475 25.846
9 HA PHE 2 HA PHE 2 22.593 21.901 26.342
10 HB2 PHE 2 HB2 PHE 2 23.392 20.300 23.925
11 HB3 PHE 2 HB3 PHE 2 24.160 20.393 25.507
12 HD1 PHE 2 HD1 PHE 2 22.557 18.180 23.474
13 HD2 PHE 2 HD2 PHE 2 22.158 19.752 27.469
14 HE1 PHE 2 HE1 PHE 2 21.269 16.179 24.141
15 HE2 PHE 2 HE2 PHE 2 20.858 17.747 28.116
16 HZ PHE 2 HZ PHE 2 20.405 15.950 26.462
17 H CYS 3 H CYS 3 21.515 24.019 24.734
18 HA CYS 3 HA CYS 3 23.690 24.879 22.973
19 HB2 CYS 3 HB2 CYS 3 22.203 26.808 22.493
20 HB3 CYS 3 HB3 CYS 3 21.460 25.241 22.193
21 H ASN 4 H ASN 4 23.482 24.952 26.130
22 HA ASN 4 HA ASN 4 24.420 26.096 27.879
23 HB2 ASN 4 HB2 ASN 4 26.603 26.528 25.816
24 HB3 ASN 4 HB3 ASN 4 26.806 26.494 27.565
25 HD21 ASN 4 HD21 ASN 4 26.308 22.857 27.702
26 HD22 ASN 4 HD22 ASN 4 25.724 24.279 28.551
27 H LEU 5 H LEU 5 22.569 27.831 26.610
28 HA LEU 5 HA LEU 5 23.441 30.241 25.712
29 HB2 LEU 5 HB2 LEU 5 21.114 29.295 25.707
30 HB3 LEU 5 HB3 LEU 5 20.950 29.809 27.387
31 HG LEU 5 HG LEU 5 21.153 32.169 26.714
32 HD11 LEU 5 HD11 LEU 5 22.575 32.064 24.791
33 HD12 LEU 5 HD12 LEU 5 21.407 31.063 23.908
34 HD13 LEU 5 HD13 LEU 5 21.046 32.771 24.317
35 HD21 LEU 5 HD21 LEU 5 18.955 31.205 26.849
36 HD22 LEU 5 HD22 LEU 5 19.030 32.385 25.533
37 HD23 LEU 5 HD23 LEU 5 19.047 30.644 25.176
38 H ARG 6 H ARG 6 23.302 29.472 29.195
39 HA ARG 6 HA ARG 6 23.406 32.130 30.205
40 HB2 ARG 6 HB2 ARG 6 22.956 30.047 31.521
41 HB3 ARG 6 HB3 ARG 6 24.667 29.621 31.410
42 HG2 ARG 6 HG2 ARG 6 25.266 31.674 32.667
43 HG3 ARG 6 HG3 ARG 6 23.571 32.188 32.647
44 HD2 ARG 6 HD2 ARG 6 24.088 31.316 34.819
45 HD3 ARG 6 HD3 ARG 6 22.944 30.233 34.018
46 HE ARG 6 HE ARG 6 25.613 29.297 33.549
47 HH11 ARG 6 HH11 ARG 6 23.465 29.593 36.353
48 HH12 ARG 6 HH12 ARG 6 24.121 28.122 37.057
49 HH21 ARG 6 HH21 ARG 6 26.520 27.724 34.667
50 HH22 ARG 6 HH22 ARG 6 25.893 27.162 36.190
51 H ARG 7 H ARG 7 26.035 30.065 29.029
52 HA ARG 7 HA ARG 7 28.215 31.936 29.701
53 HB2 ARG 7 HB2 ARG 7 28.106 29.612 27.708
54 HB3 ARG 7 HB3 ARG 7 29.558 30.459 28.214
55 HG2 ARG 7 HG2 ARG 7 27.774 28.719 29.969
56 HG3 ARG 7 HG3 ARG 7 29.365 28.301 29.344
57 HD2 ARG 7 HD2 ARG 7 28.764 30.538 31.321
58 HD3 ARG 7 HD3 ARG 7 29.437 28.956 31.714
59 HE ARG 7 HE ARG 7 31.277 29.787 29.932
60 HH11 ARG 7 HH11 ARG 7 29.980 31.643 32.655
61 HH12 ARG 7 HH12 ARG 7 31.550 32.360 32.941
62 HH21 ARG 7 HH21 ARG 7 33.120 30.724 30.386
63 HH22 ARG 7 HH22 ARG 7 33.318 31.597 31.898
64 H CYS 8 H CYS 8 26.228 31.210 26.867
65 HA CYS 8 HA CYS 8 27.685 32.866 25.046
66 HB2 CYS 8 HB2 CYS 8 24.744 32.205 24.851
67 HB3 CYS 8 HB3 CYS 8 25.899 32.499 23.553
68 H GLU 9 H GLU 9 24.731 33.542 27.024
69 HA GLU 9 HA GLU 9 24.333 36.210 26.065
70 HB2 GLU 9 HB2 GLU 9 23.505 34.710 28.566
71 HB3 GLU 9 HB3 GLU 9 23.082 36.411 28.326
72 HG2 GLU 9 HG2 GLU 9 22.013 35.861 26.157
73 HG3 GLU 9 HG3 GLU 9 22.363 34.156 26.413
74 H LEU 10 H LEU 10 26.452 35.029 28.686
75 HA LEU 10 HA LEU 10 27.234 37.631 29.692
76 HB2 LEU 10 HB2 LEU 10 27.564 35.902 31.207
77 HB3 LEU 10 HB3 LEU 10 27.938 34.728 29.958
78 HG LEU 10 HG LEU 10 30.153 35.742 29.639
79 HD11 LEU 10 HD11 LEU 10 31.125 37.160 31.386
80 HD12 LEU 10 HD12 LEU 10 29.701 37.996 30.748
81 HD13 LEU 10 HD13 LEU 10 29.608 37.142 32.301
82 HD21 LEU 10 HD21 LEU 10 31.129 34.697 31.632
83 HD22 LEU 10 HD22 LEU 10 29.533 34.685 32.416
84 HD23 LEU 10 HD23 LEU 10 29.819 33.722 30.951
85 H SER 11 H SER 11 28.345 35.427 27.126
86 HA SER 11 HA SER 11 30.702 36.933 26.401
87 HB2 SER 11 HB2 SER 11 29.079 35.055 24.641
88 HB3 SER 11 HB3 SER 11 30.743 35.590 24.406
89 HG SER 11 HG SER 11 29.744 34.009 26.579
90 H CYS 12 H CYS 12 27.299 36.987 25.158
91 HA CYS 12 HA CYS 12 27.869 39.102 23.273
92 HB2 CYS 12 HB2 CYS 12 25.131 38.535 24.412
93 HB3 CYS 12 HB3 CYS 12 25.572 39.200 22.826
94 H ARG 13 H ARG 13 26.650 39.192 26.691
95 HA ARG 13 HA ARG 13 26.389 41.985 27.002
96 HB2 ARG 13 HB2 ARG 13 25.919 40.108 28.689
97 HB3 ARG 13 HB3 ARG 13 27.654 40.071 29.008
98 HG2 ARG 13 HG2 ARG 13 27.315 42.667 29.485
99 HG3 ARG 13 HG3 ARG 13 25.621 42.207 29.665
100 HD2 ARG 13 HD2 ARG 13 28.025 41.157 31.217
101 HD3 ARG 13 HD3 ARG 13 26.744 42.212 31.823
102 HE ARG 13 HE ARG 13 25.183 40.192 31.308
103 HH11 ARG 13 HH11 ARG 13 28.450 39.816 32.743
104 HH12 ARG 13 HH12 ARG 13 27.904 38.315 33.488
105 HH21 ARG 13 HH21 ARG 13 24.731 38.433 32.422
106 HH22 ARG 13 HH22 ARG 13 26.007 37.557 33.300
107 H SER 14 H SER 14 29.312 39.997 27.051
108 HA SER 14 HA SER 14 31.172 42.176 27.525
109 HB2 SER 14 HB2 SER 14 31.782 39.398 26.463
110 HB3 SER 14 HB3 SER 14 32.892 40.534 27.246
111 HG SER 14 HG SER 14 30.693 39.122 28.390
112 H LEU 15 H LEU 15 29.403 41.622 24.807
113 HA LEU 15 HA LEU 15 31.352 43.095 23.090
114 HB2 LEU 15 HB2 LEU 15 29.352 40.924 22.397
115 HB3 LEU 15 HB3 LEU 15 30.036 41.982 21.164
116 HG LEU 15 HG LEU 15 31.753 40.270 22.988
117 HD11 LEU 15 HD11 LEU 15 30.226 38.803 21.753
118 HD12 LEU 15 HD12 LEU 15 30.658 39.606 20.221
119 HD13 LEU 15 HD13 LEU 15 31.871 38.662 21.117
120 HD21 LEU 15 HD21 LEU 15 33.415 40.550 21.175
121 HD22 LEU 15 HD22 LEU 15 32.268 41.541 20.253
122 HD23 LEU 15 HD23 LEU 15 32.917 42.129 21.798
123 H GLY 16 H GLY 16 28.704 43.526 24.937
124 HA2 GLY 16 HA2 GLY 16 27.382 45.391 25.169
125 HA3 GLY 16 HA3 GLY 16 27.967 46.014 23.628
126 H LEU 17 H LEU 17 26.449 42.804 23.657
127 HA LEU 17 HA LEU 17 23.858 43.922 22.795
128 HB2 LEU 17 HB2 LEU 17 23.786 42.902 20.699
129 HB3 LEU 17 HB3 LEU 17 25.258 43.846 20.746
130 HG LEU 17 HG LEU 17 25.088 40.827 21.099
131 HD11 LEU 17 HD11 LEU 17 25.813 42.487 18.641
132 HD12 LEU 17 HD12 LEU 17 25.930 40.720 18.753
133 HD13 LEU 17 HD13 LEU 17 24.353 41.507 18.840
134 HD21 LEU 17 HD21 LEU 17 27.159 41.664 22.023
135 HD22 LEU 17 HD22 LEU 17 27.517 40.886 20.486
136 HD23 LEU 17 HD23 LEU 17 27.453 42.672 20.595
137 H LEU 18 H LEU 18 22.368 41.921 22.096
138 HA LEU 18 HA LEU 18 22.132 40.366 24.620
139 HB2 LEU 18 HB2 LEU 18 20.247 40.869 22.290
140 HB3 LEU 18 HB3 LEU 18 19.819 39.956 23.732
141 HG LEU 18 HG LEU 18 20.602 42.910 23.731
142 HD11 LEU 18 HD11 LEU 18 18.205 43.328 24.062
143 HD12 LEU 18 HD12 LEU 18 18.506 42.524 22.512
144 HD13 LEU 18 HD13 LEU 18 17.868 41.589 23.883
145 HD21 LEU 18 HD21 LEU 18 19.367 41.134 25.889
146 HD22 LEU 18 HD22 LEU 18 21.003 41.827 25.915
147 HD23 LEU 18 HD23 LEU 18 19.601 42.892 26.004
148 H GLY 19 H GLY 19 21.061 38.055 24.207
149 HA2 GLY 19 HA2 GLY 19 21.955 36.746 21.742
150 HA3 GLY 19 HA3 GLY 19 22.787 36.184 23.191
151 H LYS 20 H LYS 20 21.218 34.625 21.391
152 HA LYS 20 HA LYS 20 19.004 33.635 23.142
153 HB2 LYS 20 HB2 LYS 20 18.726 34.192 20.161
154 HB3 LYS 20 HB3 LYS 20 17.523 33.426 21.201
155 HG2 LYS 20 HG2 LYS 20 17.386 35.556 22.543
156 HG3 LYS 20 HG3 LYS 20 18.478 36.316 21.367
157 HD2 LYS 20 HD2 LYS 20 16.866 35.733 19.547
158 HD3 LYS 20 HD3 LYS 20 15.746 35.101 20.767
159 HE2 LYS 20 HE2 LYS 20 15.670 37.368 21.835
160 HE3 LYS 20 HE3 LYS 20 16.765 37.971 20.584
161 HZ1 LYS 20 HZ1 LYS 20 13.984 37.055 20.262
162 HZ2 LYS 20 HZ2 LYS 20 14.646 38.501 19.808
163 HZ3 LYS 20 HZ3 LYS 20 14.996 37.160 18.957
164 H CYS 21 H CYS 21 18.593 31.462 23.024
165 HA CYS 21 HA CYS 21 20.458 29.703 21.580
166 HB2 CYS 21 HB2 CYS 21 19.827 29.105 23.796
167 HB3 CYS 21 HB3 CYS 21 18.116 29.197 23.406
168 H ILE 22 H ILE 22 20.138 28.624 19.768
169 HA ILE 22 HA ILE 22 17.520 28.708 18.336
170 HB ILE 22 HB ILE 22 20.210 28.866 16.994
171 HG12 ILE 22 HG12 ILE 22 18.353 31.140 17.819
172 HG13 ILE 22 HG13 ILE 22 20.049 30.915 18.258
173 HG21 ILE 22 HG21 ILE 22 17.397 29.491 15.962
174 HG22 ILE 22 HG22 ILE 22 18.889 29.407 15.000
175 HG23 ILE 22 HG23 ILE 22 18.224 27.944 15.699
176 HD11 ILE 22 HD11 ILE 22 20.650 31.195 15.825
177 HD12 ILE 22 HD12 ILE 22 18.959 31.683 15.544
178 HD13 ILE 22 HD13 ILE 22 19.981 32.638 16.630
179 H GLY 23 H GLY 23 17.480 26.845 19.720
180 HA2 GLY 23 HA2 GLY 23 17.028 24.581 19.849
181 HA3 GLY 23 HA3 GLY 23 17.556 24.438 18.179
182 H GLU 24 H GLU 24 19.995 24.536 17.907
183 HA GLU 24 HA GLU 24 21.173 22.472 19.724
184 HB2 GLU 24 HB2 GLU 24 22.072 23.306 16.938
185 HB3 GLU 24 HB3 GLU 24 22.600 21.910 17.867
186 HG2 GLU 24 HG2 GLU 24 21.108 20.994 16.326
187 HG3 GLU 24 HG3 GLU 24 20.166 21.084 17.810
188 H GLU 25 H GLU 25 21.528 25.781 18.937
189 HA GLU 25 HA GLU 25 24.189 26.056 20.219
190 HB2 GLU 25 HB2 GLU 25 23.522 26.384 17.315
191 HB3 GLU 25 HB3 GLU 25 24.459 27.696 17.989
192 HG2 GLU 25 HG2 GLU 25 25.254 24.788 18.267
193 HG3 GLU 25 HG3 GLU 25 25.786 25.832 16.963
194 H CYS 26 H CYS 26 24.829 28.487 20.141
195 HA CYS 26 HA CYS 26 22.460 30.210 20.712
196 HB2 CYS 26 HB2 CYS 26 23.710 31.121 22.585
197 HB3 CYS 26 HB3 CYS 26 23.461 29.382 22.796
198 H LYS 27 H LYS 27 22.572 32.320 20.006
199 HA LYS 27 HA LYS 27 25.121 33.312 18.809
200 HB2 LYS 27 HB2 LYS 27 22.445 33.648 17.411
201 HB3 LYS 27 HB3 LYS 27 24.032 34.183 16.867
202 HG2 LYS 27 HG2 LYS 27 24.594 31.573 16.926
203 HG3 LYS 27 HG3 LYS 27 22.844 31.409 16.897
204 HD2 LYS 27 HD2 LYS 27 23.439 31.341 14.616
205 HD3 LYS 27 HD3 LYS 27 22.911 33.009 14.845
206 HE2 LYS 27 HE2 LYS 27 24.924 33.253 13.632
207 HE3 LYS 27 HE3 LYS 27 25.426 33.532 15.302
208 HZ1 LYS 27 HZ1 LYS 27 25.910 31.168 13.613
209 HZ2 LYS 27 HZ2 LYS 27 26.982 31.990 14.546
210 HZ3 LYS 27 HZ3 LYS 27 25.885 30.970 15.229
211 H CYS 28 H CYS 28 25.404 35.556 18.801
212 HA CYS 28 HA CYS 28 23.719 37.037 20.691
213 HB2 CYS 28 HB2 CYS 28 26.013 38.198 19.118
214 HB3 CYS 28 HB3 CYS 28 25.218 38.835 20.526
215 H VAL 29 H VAL 29 22.680 39.056 20.190
216 HA VAL 29 HA VAL 29 21.902 39.566 17.396
217 HB VAL 29 HB VAL 29 19.496 39.705 17.988
218 HG11 VAL 29 HG11 VAL 29 20.627 36.908 18.365
219 HG12 VAL 29 HG12 VAL 29 18.998 37.347 17.819
220 HG13 VAL 29 HG13 VAL 29 20.390 37.745 16.812
221 HG21 VAL 29 HG21 VAL 29 18.621 38.494 19.929
222 HG22 VAL 29 HG22 VAL 29 20.266 38.230 20.542
223 HG23 VAL 29 HG23 VAL 29 19.594 39.872 20.420
224 HA PRO 30 HA PRO 30 22.450 43.692 18.531
225 HB2 PRO 30 HB2 PRO 30 19.906 44.391 17.047
226 HB3 PRO 30 HB3 PRO 30 21.521 45.164 16.947
227 HG2 PRO 30 HG2 PRO 30 20.787 43.400 15.044
228 HG3 PRO 30 HG3 PRO 30 22.423 43.269 15.764
229 HD2 PRO 30 HD2 PRO 30 19.937 41.678 16.455
230 HD3 PRO 30 HD3 PRO 30 21.602 41.115 16.132
231 H ALA 31 H ALA 31 21.990 45.309 19.972
232 HA ALA 31 HA ALA 31 19.944 44.908 22.024
233 HB1 ALA 31 HB1 ALA 31 22.258 45.660 22.541
234 HB2 ALA 31 HB2 ALA 31 21.987 47.138 21.589
235 HB3 ALA 31 HB3 ALA 31 21.049 46.845 23.066
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 19.767 20.075 28.035
2 H2 ALA 1 H2 ALA 1 18.639 21.051 28.728
3 H3 ALA 1 H3 ALA 1 20.243 21.225 29.090
4 HA ALA 1 HA ALA 1 19.176 21.557 26.378
5 HB1 ALA 1 HB1 ALA 1 18.096 23.277 27.746
6 HB2 ALA 1 HB2 ALA 1 19.666 23.757 28.434
7 HB3 ALA 1 HB3 ALA 1 19.327 24.015 26.710
8 H PHE 2 H PHE 2 20.762 21.624 24.877
9 HA PHE 2 HA PHE 2 23.571 21.918 25.747
10 HB2 PHE 2 HB2 PHE 2 22.489 21.464 22.963
11 HB3 PHE 2 HB3 PHE 2 24.161 21.305 23.473
12 HD1 PHE 2 HD1 PHE 2 21.196 19.507 22.785
13 HD2 PHE 2 HD2 PHE 2 24.538 19.578 25.520
14 HE1 PHE 2 HE1 PHE 2 20.798 17.129 23.329
15 HE2 PHE 2 HE2 PHE 2 24.117 17.189 26.075
16 HZ PHE 2 HZ PHE 2 22.278 15.961 24.963
17 H CYS 3 H CYS 3 21.124 23.841 24.707
18 HA CYS 3 HA CYS 3 22.659 26.100 23.660
19 HB2 CYS 3 HB2 CYS 3 19.845 25.650 24.710
20 HB3 CYS 3 HB3 CYS 3 20.460 27.286 24.573
21 H ASN 4 H ASN 4 24.322 26.651 24.947
22 HA ASN 4 HA ASN 4 24.189 26.646 27.851
23 HB2 ASN 4 HB2 ASN 4 26.416 27.530 25.963
24 HB3 ASN 4 HB3 ASN 4 26.569 27.228 27.695
25 HD21 ASN 4 HD21 ASN 4 26.137 23.607 27.218
26 HD22 ASN 4 HD22 ASN 4 25.709 24.885 28.349
27 H LEU 5 H LEU 5 22.261 28.196 27.096
28 HA LEU 5 HA LEU 5 22.533 30.803 26.281
29 HB2 LEU 5 HB2 LEU 5 20.477 29.131 27.008
30 HB3 LEU 5 HB3 LEU 5 20.398 30.299 28.311
31 HG LEU 5 HG LEU 5 20.216 30.876 25.317
32 HD11 LEU 5 HD11 LEU 5 18.236 29.766 26.277
33 HD12 LEU 5 HD12 LEU 5 18.148 30.992 27.557
34 HD13 LEU 5 HD13 LEU 5 17.868 31.444 25.866
35 HD21 LEU 5 HD21 LEU 5 19.487 33.165 26.019
36 HD22 LEU 5 HD22 LEU 5 19.995 32.785 27.674
37 HD23 LEU 5 HD23 LEU 5 21.187 32.835 26.348
38 H ARG 6 H ARG 6 22.804 29.699 29.692
39 HA ARG 6 HA ARG 6 22.866 32.304 30.830
40 HB2 ARG 6 HB2 ARG 6 22.440 30.121 32.024
41 HB3 ARG 6 HB3 ARG 6 24.152 29.756 31.894
42 HG2 ARG 6 HG2 ARG 6 23.717 30.532 34.095
43 HG3 ARG 6 HG3 ARG 6 24.665 31.781 33.298
44 HD2 ARG 6 HD2 ARG 6 21.622 31.871 33.519
45 HD3 ARG 6 HD3 ARG 6 22.689 32.512 34.768
46 HE ARG 6 HE ARG 6 23.580 33.717 32.420
47 HH11 ARG 6 HH11 ARG 6 20.541 33.729 34.190
48 HH12 ARG 6 HH12 ARG 6 20.157 35.356 33.714
49 HH21 ARG 6 HH21 ARG 6 23.073 35.798 31.948
50 HH22 ARG 6 HH22 ARG 6 21.459 36.414 32.214
51 H ARG 7 H ARG 7 25.511 30.340 29.498
52 HA ARG 7 HA ARG 7 27.543 32.435 30.048
53 HB2 ARG 7 HB2 ARG 7 27.638 29.712 28.693
54 HB3 ARG 7 HB3 ARG 7 29.017 30.829 28.709
55 HG2 ARG 7 HG2 ARG 7 29.065 30.857 31.147
56 HG3 ARG 7 HG3 ARG 7 27.604 29.875 31.232
57 HD2 ARG 7 HD2 ARG 7 28.833 28.026 30.042
58 HD3 ARG 7 HD3 ARG 7 30.322 28.994 30.177
59 HE ARG 7 HE ARG 7 29.212 28.917 32.746
60 HH11 ARG 7 HH11 ARG 7 30.424 26.343 30.611
61 HH12 ARG 7 HH12 ARG 7 30.297 25.197 31.949
62 HH21 ARG 7 HH21 ARG 7 29.600 27.464 34.339
63 HH22 ARG 7 HH22 ARG 7 29.942 25.786 33.884
64 H CYS 8 H CYS 8 25.627 31.321 27.253
65 HA CYS 8 HA CYS 8 27.004 32.957 25.335
66 HB2 CYS 8 HB2 CYS 8 24.155 31.904 25.313
67 HB3 CYS 8 HB3 CYS 8 25.012 32.619 23.937
68 H GLU 9 H GLU 9 24.190 33.727 27.475
69 HA GLU 9 HA GLU 9 23.674 36.374 26.564
70 HB2 GLU 9 HB2 GLU 9 23.524 34.966 29.236
71 HB3 GLU 9 HB3 GLU 9 23.220 36.693 29.163
72 HG2 GLU 9 HG2 GLU 9 21.731 34.864 27.268
73 HG3 GLU 9 HG3 GLU 9 21.245 34.970 28.962
74 H LEU 10 H LEU 10 26.364 35.159 28.542
75 HA LEU 10 HA LEU 10 27.335 37.808 29.275
76 HB2 LEU 10 HB2 LEU 10 27.480 36.254 30.973
77 HB3 LEU 10 HB3 LEU 10 27.834 34.929 29.908
78 HG LEU 10 HG LEU 10 30.102 35.782 29.532
79 HD11 LEU 10 HD11 LEU 10 29.773 38.175 30.236
80 HD12 LEU 10 HD12 LEU 10 29.428 37.642 31.896
81 HD13 LEU 10 HD13 LEU 10 31.036 37.401 31.183
82 HD21 LEU 10 HD21 LEU 10 29.279 35.183 32.417
83 HD22 LEU 10 HD22 LEU 10 29.605 33.995 31.141
84 HD23 LEU 10 HD23 LEU 10 30.913 35.007 31.749
85 H SER 11 H SER 11 28.243 35.199 26.916
86 HA SER 11 HA SER 11 30.658 36.504 26.042
87 HB2 SER 11 HB2 SER 11 30.616 35.036 24.149
88 HB3 SER 11 HB3 SER 11 30.118 34.112 25.567
89 HG SER 11 HG SER 11 28.698 34.813 23.295
90 H CYS 12 H CYS 12 27.278 36.654 24.854
91 HA CYS 12 HA CYS 12 27.815 38.617 22.815
92 HB2 CYS 12 HB2 CYS 12 25.215 38.143 24.315
93 HB3 CYS 12 HB3 CYS 12 25.413 38.935 22.739
94 H ARG 13 H ARG 13 26.751 39.005 26.275
95 HA ARG 13 HA ARG 13 26.691 41.836 26.270
96 HB2 ARG 13 HB2 ARG 13 25.775 40.348 27.985
97 HB3 ARG 13 HB3 ARG 13 27.402 39.932 28.535
98 HG2 ARG 13 HG2 ARG 13 27.753 42.279 29.247
99 HG3 ARG 13 HG3 ARG 13 26.147 42.717 28.636
100 HD2 ARG 13 HD2 ARG 13 26.672 40.610 30.783
101 HD3 ARG 13 HD3 ARG 13 26.248 42.270 31.137
102 HE ARG 13 HE ARG 13 24.519 40.227 29.795
103 HH11 ARG 13 HH11 ARG 13 24.538 43.321 31.561
104 HH12 ARG 13 HH12 ARG 13 22.771 43.280 31.598
105 HH21 ARG 13 HH21 ARG 13 22.432 40.503 29.700
106 HH22 ARG 13 HH22 ARG 13 21.637 41.772 30.657
107 H SER 14 H SER 14 29.471 39.676 26.635
108 HA SER 14 HA SER 14 31.421 41.718 27.228
109 HB2 SER 14 HB2 SER 14 31.847 39.361 27.668
110 HB3 SER 14 HB3 SER 14 31.691 38.976 25.949
111 HG SER 14 HG SER 14 33.735 40.449 27.268
112 H LEU 15 H LEU 15 29.952 40.705 24.132
113 HA LEU 15 HA LEU 15 31.830 42.354 22.550
114 HB2 LEU 15 HB2 LEU 15 29.188 41.046 21.797
115 HB3 LEU 15 HB3 LEU 15 30.269 41.871 20.689
116 HG LEU 15 HG LEU 15 31.013 39.373 22.259
117 HD11 LEU 15 HD11 LEU 15 29.199 38.914 20.659
118 HD12 LEU 15 HD12 LEU 15 30.152 39.658 19.355
119 HD13 LEU 15 HD13 LEU 15 30.717 38.167 20.143
120 HD21 LEU 15 HD21 LEU 15 32.860 39.201 20.615
121 HD22 LEU 15 HD22 LEU 15 32.385 40.766 19.919
122 HD23 LEU 15 HD23 LEU 15 32.989 40.666 21.590
123 H GLY 16 H GLY 16 28.459 42.531 23.664
124 HA2 GLY 16 HA2 GLY 16 28.077 44.952 24.603
125 HA3 GLY 16 HA3 GLY 16 28.254 45.409 22.907
126 H LEU 17 H LEU 17 26.558 42.360 23.474
127 HA LEU 17 HA LEU 17 23.912 43.643 23.339
128 HB2 LEU 17 HB2 LEU 17 23.284 42.744 21.272
129 HB3 LEU 17 HB3 LEU 17 24.761 43.640 21.015
130 HG LEU 17 HG LEU 17 24.489 40.628 21.193
131 HD11 LEU 17 HD11 LEU 17 24.816 40.668 18.730
132 HD12 LEU 17 HD12 LEU 17 23.388 41.602 19.182
133 HD13 LEU 17 HD13 LEU 17 24.894 42.439 18.769
134 HD21 LEU 17 HD21 LEU 17 26.763 41.186 21.732
135 HD22 LEU 17 HD22 LEU 17 26.752 40.600 20.074
136 HD23 LEU 17 HD23 LEU 17 26.861 42.346 20.389
137 H LEU 18 H LEU 18 22.220 41.558 22.810
138 HA LEU 18 HA LEU 18 22.601 39.981 25.304
139 HB2 LEU 18 HB2 LEU 18 20.152 40.400 23.560
140 HB3 LEU 18 HB3 LEU 18 20.184 39.505 25.077
141 HG LEU 18 HG LEU 18 20.772 42.476 24.779
142 HD11 LEU 18 HD11 LEU 18 18.618 42.825 25.875
143 HD12 LEU 18 HD12 LEU 18 18.431 41.951 24.345
144 HD13 LEU 18 HD13 LEU 18 18.324 41.072 25.887
145 HD21 LEU 18 HD21 LEU 18 21.960 41.583 26.722
146 HD22 LEU 18 HD22 LEU 18 20.570 42.531 27.258
147 HD23 LEU 18 HD23 LEU 18 20.491 40.753 27.274
148 H GLY 19 H GLY 19 21.924 37.719 25.376
149 HA2 GLY 19 HA2 GLY 19 22.796 36.233 22.909
150 HA3 GLY 19 HA3 GLY 19 23.058 35.685 24.554
151 H LYS 20 H LYS 20 21.570 34.695 22.046
152 HA LYS 20 HA LYS 20 19.412 33.321 23.527
153 HB2 LYS 20 HB2 LYS 20 19.048 34.822 20.899
154 HB3 LYS 20 HB3 LYS 20 17.956 33.535 21.454
155 HG2 LYS 20 HG2 LYS 20 17.460 34.866 23.509
156 HG3 LYS 20 HG3 LYS 20 18.456 36.172 22.855
157 HD2 LYS 20 HD2 LYS 20 16.998 36.250 20.813
158 HD3 LYS 20 HD3 LYS 20 15.941 35.033 21.579
159 HE2 LYS 20 HE2 LYS 20 15.447 36.527 23.436
160 HE3 LYS 20 HE3 LYS 20 16.651 37.690 22.882
161 HZ1 LYS 20 HZ1 LYS 20 14.178 37.006 21.374
162 HZ2 LYS 20 HZ2 LYS 20 14.393 38.333 22.304
163 HZ3 LYS 20 HZ3 LYS 20 15.283 38.151 20.941
164 H CYS 21 H CYS 21 18.629 31.390 22.079
165 HA CYS 21 HA CYS 21 20.813 30.320 20.379
166 HB2 CYS 21 HB2 CYS 21 21.547 29.913 22.658
167 HB3 CYS 21 HB3 CYS 21 20.029 29.122 23.057
168 H ILE 22 H ILE 22 20.311 28.770 18.977
169 HA ILE 22 HA ILE 22 17.435 27.966 18.722
170 HB ILE 22 HB ILE 22 19.449 28.621 16.565
171 HG12 ILE 22 HG12 ILE 22 18.689 30.688 17.630
172 HG13 ILE 22 HG13 ILE 22 18.090 30.547 15.995
173 HG21 ILE 22 HG21 ILE 22 17.498 28.427 15.008
174 HG22 ILE 22 HG22 ILE 22 17.986 26.895 15.737
175 HG23 ILE 22 HG23 ILE 22 16.551 27.736 16.346
176 HD11 ILE 22 HD11 ILE 22 16.459 30.047 18.526
177 HD12 ILE 22 HD12 ILE 22 16.363 31.453 17.449
178 HD13 ILE 22 HD13 ILE 22 15.845 29.875 16.862
179 H GLY 23 H GLY 23 17.137 25.937 18.987
180 HA2 GLY 23 HA2 GLY 23 17.310 23.639 19.007
181 HA3 GLY 23 HA3 GLY 23 18.570 23.762 17.774
182 H GLU 24 H GLU 24 20.708 23.968 18.394
183 HA GLU 24 HA GLU 24 21.452 23.746 21.274
184 HB2 GLU 24 HB2 GLU 24 22.747 22.180 18.997
185 HB3 GLU 24 HB3 GLU 24 23.240 22.200 20.678
186 HG2 GLU 24 HG2 GLU 24 22.103 20.263 20.688
187 HG3 GLU 24 HG3 GLU 24 20.823 21.351 21.211
188 H GLU 25 H GLU 25 21.533 25.852 18.783
189 HA GLU 25 HA GLU 25 24.464 26.486 18.962
190 HB2 GLU 25 HB2 GLU 25 22.704 27.267 16.662
191 HB3 GLU 25 HB3 GLU 25 24.440 27.143 16.728
192 HG2 GLU 25 HG2 GLU 25 22.414 24.882 16.642
193 HG3 GLU 25 HG3 GLU 25 23.502 25.400 15.328
194 H CYS 26 H CYS 26 24.956 28.323 20.069
195 HA CYS 26 HA CYS 26 22.963 30.325 20.703
196 HB2 CYS 26 HB2 CYS 26 25.938 30.116 21.217
197 HB3 CYS 26 HB3 CYS 26 24.990 31.520 21.675
198 H LYS 27 H LYS 27 22.643 32.355 19.931
199 HA LYS 27 HA LYS 27 24.516 33.615 18.035
200 HB2 LYS 27 HB2 LYS 27 21.611 33.044 17.296
201 HB3 LYS 27 HB3 LYS 27 22.697 34.123 16.417
202 HG2 LYS 27 HG2 LYS 27 24.246 32.175 16.021
203 HG3 LYS 27 HG3 LYS 27 22.986 31.137 16.735
204 HD2 LYS 27 HD2 LYS 27 21.350 32.033 15.016
205 HD3 LYS 27 HD3 LYS 27 22.739 32.815 14.228
206 HE2 LYS 27 HE2 LYS 27 22.374 29.830 14.754
207 HE3 LYS 27 HE3 LYS 27 22.173 30.650 13.195
208 HZ1 LYS 27 HZ1 LYS 27 24.589 31.329 13.472
209 HZ2 LYS 27 HZ2 LYS 27 24.694 30.202 14.675
210 HZ3 LYS 27 HZ3 LYS 27 24.304 29.756 13.137
211 H CYS 28 H CYS 28 24.723 35.715 18.488
212 HA CYS 28 HA CYS 28 23.157 36.826 20.656
213 HB2 CYS 28 HB2 CYS 28 25.229 38.270 18.992
214 HB3 CYS 28 HB3 CYS 28 24.630 38.691 20.581
215 H VAL 29 H VAL 29 21.944 38.707 20.739
216 HA VAL 29 HA VAL 29 20.730 39.708 18.206
217 HB VAL 29 HB VAL 29 18.525 39.622 19.210
218 HG11 VAL 29 HG11 VAL 29 19.785 36.863 19.382
219 HG12 VAL 29 HG12 VAL 29 18.099 37.277 19.000
220 HG13 VAL 29 HG13 VAL 29 19.390 37.692 17.861
221 HG21 VAL 29 HG21 VAL 29 19.776 38.135 21.553
222 HG22 VAL 29 HG22 VAL 29 19.077 39.772 21.602
223 HG23 VAL 29 HG23 VAL 29 18.041 38.393 21.255
224 HA PRO 30 HA PRO 30 21.732 43.586 19.767
225 HB2 PRO 30 HB2 PRO 30 19.779 45.301 18.866
226 HB3 PRO 30 HB3 PRO 30 21.013 44.534 17.826
227 HG2 PRO 30 HG2 PRO 30 18.170 43.602 18.338
228 HG3 PRO 30 HG3 PRO 30 18.998 43.788 16.760
229 HD2 PRO 30 HD2 PRO 30 18.810 41.388 17.969
230 HD3 PRO 30 HD3 PRO 30 20.324 41.854 17.136
231 H ALA 31 H ALA 31 21.532 45.003 21.448
232 HA ALA 31 HA ALA 31 19.451 44.431 23.497
233 HB1 ALA 31 HB1 ALA 31 22.089 45.960 23.689
234 HB2 ALA 31 HB2 ALA 31 20.996 45.572 25.033
235 HB3 ALA 31 HB3 ALA 31 21.842 44.279 24.163
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 17.625 19.925 19.292
2 H2 ALA 1 H2 ALA 1 17.355 21.424 19.906
3 H3 ALA 1 H3 ALA 1 17.085 20.090 20.835
4 HA ALA 1 HA ALA 1 19.356 19.532 20.911
5 HB1 ALA 1 HB1 ALA 1 21.053 21.066 19.886
6 HB2 ALA 1 HB2 ALA 1 20.052 20.213 18.698
7 HB3 ALA 1 HB3 ALA 1 19.725 21.924 19.072
8 H PHE 2 H PHE 2 20.641 20.221 22.593
9 HA PHE 2 HA PHE 2 19.496 22.372 24.272
10 HB2 PHE 2 HB2 PHE 2 21.707 20.383 24.873
11 HB3 PHE 2 HB3 PHE 2 20.921 21.451 26.028
12 HD1 PHE 2 HD1 PHE 2 20.984 18.160 24.854
13 HD2 PHE 2 HD2 PHE 2 18.208 21.232 26.052
14 HE1 PHE 2 HE1 PHE 2 19.304 16.424 25.411
15 HE2 PHE 2 HE2 PHE 2 16.533 19.496 26.616
16 HZ PHE 2 HZ PHE 2 17.082 17.083 26.322
17 H CYS 3 H CYS 3 20.686 24.006 25.244
18 HA CYS 3 HA CYS 3 23.439 24.645 24.437
19 HB2 CYS 3 HB2 CYS 3 22.210 25.452 22.564
20 HB3 CYS 3 HB3 CYS 3 20.975 26.156 23.573
21 H ASN 4 H ASN 4 24.162 26.710 25.578
22 HA ASN 4 HA ASN 4 23.234 26.553 28.410
23 HB2 ASN 4 HB2 ASN 4 26.071 27.029 27.439
24 HB3 ASN 4 HB3 ASN 4 25.527 26.712 29.089
25 HD21 ASN 4 HD21 ASN 4 24.918 23.177 28.321
26 HD22 ASN 4 HD22 ASN 4 24.346 24.469 29.367
27 H LEU 5 H LEU 5 21.792 28.203 27.512
28 HA LEU 5 HA LEU 5 22.286 30.631 26.486
29 HB2 LEU 5 HB2 LEU 5 20.096 29.393 27.452
30 HB3 LEU 5 HB3 LEU 5 20.255 30.625 28.691
31 HG LEU 5 HG LEU 5 19.894 31.022 25.685
32 HD11 LEU 5 HD11 LEU 5 18.128 31.696 28.074
33 HD12 LEU 5 HD12 LEU 5 17.737 31.993 26.368
34 HD13 LEU 5 HD13 LEU 5 17.885 30.333 26.966
35 HD21 LEU 5 HD21 LEU 5 20.226 33.134 27.843
36 HD22 LEU 5 HD22 LEU 5 21.246 32.888 26.398
37 HD23 LEU 5 HD23 LEU 5 19.586 33.446 26.219
38 H ARG 6 H ARG 6 22.578 30.105 30.067
39 HA ARG 6 HA ARG 6 23.074 32.865 30.663
40 HB2 ARG 6 HB2 ARG 6 22.350 31.143 32.292
41 HB3 ARG 6 HB3 ARG 6 23.955 30.394 32.212
42 HG2 ARG 6 HG2 ARG 6 24.988 32.408 33.166
43 HG3 ARG 6 HG3 ARG 6 23.463 33.298 33.035
44 HD2 ARG 6 HD2 ARG 6 23.871 32.593 35.338
45 HD3 ARG 6 HD3 ARG 6 22.412 31.834 34.677
46 HE ARG 6 HE ARG 6 24.833 30.205 34.399
47 HH11 ARG 6 HH11 ARG 6 22.416 31.088 36.817
48 HH12 ARG 6 HH12 ARG 6 22.485 29.503 37.567
49 HH21 ARG 6 HH21 ARG 6 24.741 28.196 35.362
50 HH22 ARG 6 HH22 ARG 6 23.982 28.045 36.938
51 H ARG 7 H ARG 7 25.331 30.346 29.645
52 HA ARG 7 HA ARG 7 27.750 31.987 30.040
53 HB2 ARG 7 HB2 ARG 7 27.306 29.498 28.330
54 HB3 ARG 7 HB3 ARG 7 28.858 30.237 28.713
55 HG2 ARG 7 HG2 ARG 7 28.563 29.713 31.112
56 HG3 ARG 7 HG3 ARG 7 26.972 28.999 30.768
57 HD2 ARG 7 HD2 ARG 7 28.035 27.411 29.202
58 HD3 ARG 7 HD3 ARG 7 29.635 28.048 29.628
59 HE ARG 7 HE ARG 7 28.689 27.341 32.075
60 HH11 ARG 7 HH11 ARG 7 28.732 25.469 29.075
61 HH12 ARG 7 HH12 ARG 7 28.635 23.954 29.953
62 HH21 ARG 7 HH21 ARG 7 28.742 25.346 33.080
63 HH22 ARG 7 HH22 ARG 7 28.375 23.938 32.112
64 H CYS 8 H CYS 8 25.519 31.211 27.404
65 HA CYS 8 HA CYS 8 26.827 32.638 25.285
66 HB2 CYS 8 HB2 CYS 8 25.119 30.944 24.917
67 HB3 CYS 8 HB3 CYS 8 23.930 31.900 25.788
68 H GLU 9 H GLU 9 24.329 33.712 27.643
69 HA GLU 9 HA GLU 9 23.984 36.361 26.775
70 HB2 GLU 9 HB2 GLU 9 23.863 35.039 29.500
71 HB3 GLU 9 HB3 GLU 9 23.504 36.746 29.313
72 HG2 GLU 9 HG2 GLU 9 22.083 34.791 27.499
73 HG3 GLU 9 HG3 GLU 9 21.612 34.861 29.200
74 H LEU 10 H LEU 10 26.653 35.095 28.874
75 HA LEU 10 HA LEU 10 27.797 37.728 29.348
76 HB2 LEU 10 HB2 LEU 10 28.230 36.187 31.039
77 HB3 LEU 10 HB3 LEU 10 28.397 34.834 29.926
78 HG LEU 10 HG LEU 10 30.541 35.634 29.184
79 HD11 LEU 10 HD11 LEU 10 31.780 37.370 30.475
80 HD12 LEU 10 HD12 LEU 10 30.358 38.096 29.726
81 HD13 LEU 10 HD13 LEU 10 30.325 37.683 31.446
82 HD21 LEU 10 HD21 LEU 10 30.334 34.041 31.072
83 HD22 LEU 10 HD22 LEU 10 31.797 35.022 31.197
84 HD23 LEU 10 HD23 LEU 10 30.390 35.390 32.222
85 H SER 11 H SER 11 28.374 34.975 27.116
86 HA SER 11 HA SER 11 30.616 36.040 25.777
87 HB2 SER 11 HB2 SER 11 29.697 33.710 25.567
88 HB3 SER 11 HB3 SER 11 28.411 34.360 24.531
89 HG SER 11 HG SER 11 29.906 33.863 23.107
90 H CYS 12 H CYS 12 27.130 36.634 25.094
91 HA CYS 12 HA CYS 12 27.750 38.488 22.920
92 HB2 CYS 12 HB2 CYS 12 25.140 38.001 24.386
93 HB3 CYS 12 HB3 CYS 12 25.352 38.873 22.853
94 H ARG 13 H ARG 13 27.009 38.919 26.418
95 HA ARG 13 HA ARG 13 26.920 41.773 26.422
96 HB2 ARG 13 HB2 ARG 13 26.386 40.110 28.284
97 HB3 ARG 13 HB3 ARG 13 28.125 40.025 28.601
98 HG2 ARG 13 HG2 ARG 13 28.013 42.589 28.919
99 HG3 ARG 13 HG3 ARG 13 26.252 42.425 28.830
100 HD2 ARG 13 HD2 ARG 13 28.163 41.230 30.865
101 HD3 ARG 13 HD3 ARG 13 26.915 42.443 31.157
102 HE ARG 13 HE ARG 13 25.211 40.662 30.632
103 HH11 ARG 13 HH11 ARG 13 28.334 39.572 31.899
104 HH12 ARG 13 HH12 ARG 13 27.556 38.138 32.513
105 HH21 ARG 13 HH21 ARG 13 24.499 38.768 31.247
106 HH22 ARG 13 HH22 ARG 13 25.594 37.506 31.834
107 H SER 14 H SER 14 29.724 39.582 26.284
108 HA SER 14 HA SER 14 31.730 41.621 26.576
109 HB2 SER 14 HB2 SER 14 33.293 40.037 25.929
110 HB3 SER 14 HB3 SER 14 32.037 39.085 26.730
111 HG SER 14 HG SER 14 31.271 38.476 24.655
112 H LEU 15 H LEU 15 29.594 41.056 23.945
113 HA LEU 15 HA LEU 15 31.160 42.820 22.103
114 HB2 LEU 15 HB2 LEU 15 28.740 41.038 21.651
115 HB3 LEU 15 HB3 LEU 15 29.454 42.065 20.421
116 HG LEU 15 HG LEU 15 30.959 39.809 21.808
117 HD11 LEU 15 HD11 LEU 15 30.509 38.480 19.797
118 HD12 LEU 15 HD12 LEU 15 29.009 38.905 20.625
119 HD13 LEU 15 HD13 LEU 15 29.479 39.776 19.149
120 HD21 LEU 15 HD21 LEU 15 32.455 39.978 19.852
121 HD22 LEU 15 HD22 LEU 15 31.487 41.315 19.200
122 HD23 LEU 15 HD23 LEU 15 32.399 41.517 20.714
123 H GLY 16 H GLY 16 28.286 42.677 24.121
124 HA2 GLY 16 HA2 GLY 16 27.523 44.770 25.077
125 HA3 GLY 16 HA3 GLY 16 27.723 45.555 23.515
126 H LEU 17 H LEU 17 26.266 42.558 22.968
127 HA LEU 17 HA LEU 17 23.512 43.697 23.048
128 HB2 LEU 17 HB2 LEU 17 23.023 42.850 20.937
129 HB3 LEU 17 HB3 LEU 17 24.524 43.751 20.766
130 HG LEU 17 HG LEU 17 24.108 40.747 20.836
131 HD11 LEU 17 HD11 LEU 17 24.732 40.832 18.453
132 HD12 LEU 17 HD12 LEU 17 23.334 41.867 18.767
133 HD13 LEU 17 HD13 LEU 17 24.941 42.591 18.559
134 HD21 LEU 17 HD21 LEU 17 26.316 41.097 21.705
135 HD22 LEU 17 HD22 LEU 17 26.507 40.618 20.019
136 HD23 LEU 17 HD23 LEU 17 26.674 42.330 20.463
137 H LEU 18 H LEU 18 21.863 41.765 22.557
138 HA LEU 18 HA LEU 18 21.994 40.242 25.035
139 HB2 LEU 18 HB2 LEU 18 19.984 41.471 24.159
140 HB3 LEU 18 HB3 LEU 18 19.932 40.343 22.814
141 HG LEU 18 HG LEU 18 19.488 38.477 24.454
142 HD11 LEU 18 HD11 LEU 18 19.111 40.794 26.413
143 HD12 LEU 18 HD12 LEU 18 18.744 39.081 26.716
144 HD13 LEU 18 HD13 LEU 18 20.416 39.594 26.491
145 HD21 LEU 18 HD21 LEU 18 17.150 39.116 24.853
146 HD22 LEU 18 HD22 LEU 18 17.533 40.814 24.481
147 HD23 LEU 18 HD23 LEU 18 17.662 39.565 23.221
148 H GLY 19 H GLY 19 21.683 37.923 25.208
149 HA2 GLY 19 HA2 GLY 19 22.835 36.356 22.917
150 HA3 GLY 19 HA3 GLY 19 22.963 35.905 24.610
151 H LYS 20 H LYS 20 21.792 34.635 22.047
152 HA LYS 20 HA LYS 20 19.516 33.372 23.479
153 HB2 LYS 20 HB2 LYS 20 19.456 34.376 20.605
154 HB3 LYS 20 HB3 LYS 20 18.397 33.099 21.207
155 HG2 LYS 20 HG2 LYS 20 17.532 34.680 22.968
156 HG3 LYS 20 HG3 LYS 20 18.503 35.962 22.230
157 HD2 LYS 20 HD2 LYS 20 16.264 36.184 21.405
158 HD3 LYS 20 HD3 LYS 20 17.270 35.598 20.072
159 HE2 LYS 20 HE2 LYS 20 16.454 33.247 20.605
160 HE3 LYS 20 HE3 LYS 20 15.352 33.953 21.791
161 HZ1 LYS 20 HZ1 LYS 20 15.370 34.577 18.882
162 HZ2 LYS 20 HZ2 LYS 20 14.336 33.548 19.601
163 HZ3 LYS 20 HZ3 LYS 20 14.293 35.172 19.975
164 H CYS 21 H CYS 21 19.105 31.250 22.888
165 HA CYS 21 HA CYS 21 21.368 29.742 21.621
166 HB2 CYS 21 HB2 CYS 21 19.265 29.114 23.685
167 HB3 CYS 21 HB3 CYS 21 20.024 27.834 22.754
168 H ILE 22 H ILE 22 20.894 29.824 19.465
169 HA ILE 22 HA ILE 22 18.125 29.508 18.476
170 HB ILE 22 HB ILE 22 20.668 30.005 16.950
171 HG12 ILE 22 HG12 ILE 22 20.362 31.900 18.422
172 HG13 ILE 22 HG13 ILE 22 19.929 32.376 16.791
173 HG21 ILE 22 HG21 ILE 22 17.736 30.235 16.125
174 HG22 ILE 22 HG22 ILE 22 19.095 30.856 15.167
175 HG23 ILE 22 HG23 ILE 22 18.950 29.127 15.461
176 HD11 ILE 22 HD11 ILE 22 18.382 33.342 18.400
177 HD12 ILE 22 HD12 ILE 22 17.511 32.200 17.367
178 HD13 ILE 22 HD13 ILE 22 17.955 31.744 19.030
179 H GLY 23 H GLY 23 18.216 27.497 19.558
180 HA2 GLY 23 HA2 GLY 23 17.828 25.219 19.466
181 HA3 GLY 23 HA3 GLY 23 18.194 25.249 17.736
182 H GLU 24 H GLU 24 20.273 24.892 17.034
183 HA GLU 24 HA GLU 24 21.830 23.046 18.552
184 HB2 GLU 24 HB2 GLU 24 22.246 24.500 15.915
185 HB3 GLU 24 HB3 GLU 24 23.408 23.358 16.573
186 HG2 GLU 24 HG2 GLU 24 22.093 22.133 15.038
187 HG3 GLU 24 HG3 GLU 24 21.650 21.600 16.657
188 H GLU 25 H GLU 25 22.236 26.594 18.302
189 HA GLU 25 HA GLU 25 24.539 26.401 20.117
190 HB2 GLU 25 HB2 GLU 25 26.182 27.337 18.709
191 HB3 GLU 25 HB3 GLU 25 25.525 25.952 17.863
192 HG2 GLU 25 HG2 GLU 25 24.192 27.467 16.419
193 HG3 GLU 25 HG3 GLU 25 24.818 28.874 17.296
194 H CYS 26 H CYS 26 25.571 28.527 20.578
195 HA CYS 26 HA CYS 26 23.592 30.551 21.251
196 HB2 CYS 26 HB2 CYS 26 25.474 30.079 22.716
197 HB3 CYS 26 HB3 CYS 26 26.611 30.399 21.409
198 H LYS 27 H LYS 27 23.045 32.346 20.164
199 HA LYS 27 HA LYS 27 24.963 33.641 18.316
200 HB2 LYS 27 HB2 LYS 27 22.072 33.249 17.466
201 HB3 LYS 27 HB3 LYS 27 23.337 34.099 16.590
202 HG2 LYS 27 HG2 LYS 27 24.583 31.906 16.363
203 HG3 LYS 27 HG3 LYS 27 23.175 31.099 17.092
204 HD2 LYS 27 HD2 LYS 27 21.748 32.076 15.244
205 HD3 LYS 27 HD3 LYS 27 23.232 32.691 14.494
206 HE2 LYS 27 HE2 LYS 27 24.108 30.344 14.386
207 HE3 LYS 27 HE3 LYS 27 22.574 29.764 15.067
208 HZ1 LYS 27 HZ1 LYS 27 22.496 29.597 12.663
209 HZ2 LYS 27 HZ2 LYS 27 21.482 30.845 13.089
210 HZ3 LYS 27 HZ3 LYS 27 22.947 31.152 12.470
211 H CYS 28 H CYS 28 24.931 35.855 18.479
212 HA CYS 28 HA CYS 28 23.271 36.941 20.657
213 HB2 CYS 28 HB2 CYS 28 25.355 38.438 19.073
214 HB3 CYS 28 HB3 CYS 28 24.701 38.809 20.654
215 H VAL 29 H VAL 29 21.989 38.885 20.510
216 HA VAL 29 HA VAL 29 20.942 39.567 17.806
217 HB VAL 29 HB VAL 29 18.639 39.323 18.535
218 HG11 VAL 29 HG11 VAL 29 20.101 36.710 19.053
219 HG12 VAL 29 HG12 VAL 29 18.432 36.936 18.492
220 HG13 VAL 29 HG13 VAL 29 19.774 37.402 17.444
221 HG21 VAL 29 HG21 VAL 29 18.016 38.136 20.596
222 HG22 VAL 29 HG22 VAL 29 19.710 38.169 21.135
223 HG23 VAL 29 HG23 VAL 29 18.791 39.682 20.930
224 HA PRO 30 HA PRO 30 20.911 43.706 19.396
225 HB2 PRO 30 HB2 PRO 30 18.842 44.895 18.026
226 HB3 PRO 30 HB3 PRO 30 20.416 44.479 17.287
227 HG2 PRO 30 HG2 PRO 30 17.839 42.874 17.217
228 HG3 PRO 30 HG3 PRO 30 18.921 43.290 15.851
229 HD2 PRO 30 HD2 PRO 30 19.076 40.889 17.072
230 HD3 PRO 30 HD3 PRO 30 20.559 41.736 16.558
231 H ALA 31 H ALA 31 20.173 44.587 21.237
232 HA ALA 31 HA ALA 31 18.124 43.209 22.745
233 HB1 ALA 31 HB1 ALA 31 20.259 44.036 23.721
234 HB2 ALA 31 HB2 ALA 31 19.733 45.710 23.426
235 HB3 ALA 31 HB3 ALA 31 18.837 44.681 24.559
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 14.227 24.160 28.794
2 H2 ALA 1 H2 ALA 1 13.651 25.205 27.672
3 H3 ALA 1 H3 ALA 1 14.733 25.726 28.799
4 HA ALA 1 HA ALA 1 15.260 23.793 26.656
5 HB1 ALA 1 HB1 ALA 1 16.459 26.569 27.083
6 HB2 ALA 1 HB2 ALA 1 16.782 25.469 25.730
7 HB3 ALA 1 HB3 ALA 1 15.176 26.186 25.917
8 H PHE 2 H PHE 2 17.502 23.062 26.485
9 HA PHE 2 HA PHE 2 18.942 23.014 29.106
10 HB2 PHE 2 HB2 PHE 2 18.794 20.842 26.987
11 HB3 PHE 2 HB3 PHE 2 19.672 20.737 28.501
12 HD1 PHE 2 HD1 PHE 2 16.931 19.413 27.014
13 HD2 PHE 2 HD2 PHE 2 17.965 21.532 30.630
14 HE1 PHE 2 HE1 PHE 2 14.994 18.384 28.178
15 HE2 PHE 2 HE2 PHE 2 16.029 20.502 31.783
16 HZ PHE 2 HZ PHE 2 14.538 18.928 30.564
17 H CYS 3 H CYS 3 19.182 24.471 26.311
18 HA CYS 3 HA CYS 3 21.893 24.091 25.442
19 HB2 CYS 3 HB2 CYS 3 21.480 26.080 24.128
20 HB3 CYS 3 HB3 CYS 3 20.057 25.040 24.075
21 H ASN 4 H ASN 4 23.552 25.886 25.490
22 HA ASN 4 HA ASN 4 24.162 26.561 28.283
23 HB2 ASN 4 HB2 ASN 4 25.894 26.813 25.808
24 HB3 ASN 4 HB3 ASN 4 26.419 26.858 27.492
25 HD21 ASN 4 HD21 ASN 4 26.035 23.273 27.892
26 HD22 ASN 4 HD22 ASN 4 25.520 24.713 28.743
27 H LEU 5 H LEU 5 22.091 28.056 27.509
28 HA LEU 5 HA LEU 5 22.643 30.487 26.164
29 HB2 LEU 5 HB2 LEU 5 20.503 29.440 26.249
30 HB3 LEU 5 HB3 LEU 5 20.379 29.606 27.984
31 HG LEU 5 HG LEU 5 18.938 31.067 26.581
32 HD11 LEU 5 HD11 LEU 5 19.093 33.011 27.953
33 HD12 LEU 5 HD12 LEU 5 19.391 31.579 28.945
34 HD13 LEU 5 HD13 LEU 5 20.737 32.626 28.457
35 HD21 LEU 5 HD21 LEU 5 20.622 31.606 24.841
36 HD22 LEU 5 HD22 LEU 5 19.782 33.015 25.506
37 HD23 LEU 5 HD23 LEU 5 21.445 32.674 26.000
38 H ARG 6 H ARG 6 22.595 29.855 29.708
39 HA ARG 6 HA ARG 6 22.911 32.453 30.683
40 HB2 ARG 6 HB2 ARG 6 22.648 30.062 31.767
41 HB3 ARG 6 HB3 ARG 6 24.391 30.054 31.845
42 HG2 ARG 6 HG2 ARG 6 22.648 32.244 33.087
43 HG3 ARG 6 HG3 ARG 6 23.002 30.719 33.886
44 HD2 ARG 6 HD2 ARG 6 24.590 32.089 34.802
45 HD3 ARG 6 HD3 ARG 6 25.489 31.238 33.534
46 HE ARG 6 HE ARG 6 24.448 33.630 32.415
47 HH11 ARG 6 HH11 ARG 6 26.922 32.652 34.725
48 HH12 ARG 6 HH12 ARG 6 27.712 34.218 34.685
49 HH21 ARG 6 HH21 ARG 6 25.548 35.565 32.351
50 HH22 ARG 6 HH22 ARG 6 27.043 35.759 33.240
51 H ARG 7 H ARG 7 25.481 30.243 29.526
52 HA ARG 7 HA ARG 7 27.662 32.093 29.750
53 HB2 ARG 7 HB2 ARG 7 27.701 29.548 29.691
54 HB3 ARG 7 HB3 ARG 7 27.309 29.642 27.970
55 HG2 ARG 7 HG2 ARG 7 29.410 31.067 27.712
56 HG3 ARG 7 HG3 ARG 7 29.752 30.711 29.414
57 HD2 ARG 7 HD2 ARG 7 31.012 29.155 28.036
58 HD3 ARG 7 HD3 ARG 7 29.718 28.269 28.868
59 HE ARG 7 HE ARG 7 28.993 29.226 26.195
60 HH11 ARG 7 HH11 ARG 7 30.779 26.577 27.684
61 HH12 ARG 7 HH12 ARG 7 30.293 25.482 26.388
62 HH21 ARG 7 HH21 ARG 7 28.280 27.671 24.768
63 HH22 ARG 7 HH22 ARG 7 29.083 26.092 24.806
64 H CYS 8 H CYS 8 25.375 31.338 27.108
65 HA CYS 8 HA CYS 8 26.721 32.840 25.057
66 HB2 CYS 8 HB2 CYS 8 24.960 31.179 24.607
67 HB3 CYS 8 HB3 CYS 8 23.778 32.198 25.418
68 H GLU 9 H GLU 9 24.239 33.824 27.473
69 HA GLU 9 HA GLU 9 23.916 36.517 26.491
70 HB2 GLU 9 HB2 GLU 9 23.544 35.326 29.271
71 HB3 GLU 9 HB3 GLU 9 23.070 36.974 28.820
72 HG2 GLU 9 HG2 GLU 9 21.603 36.076 27.039
73 HG3 GLU 9 HG3 GLU 9 21.996 34.438 27.518
74 H LEU 10 H LEU 10 26.297 35.100 28.625
75 HA LEU 10 HA LEU 10 27.642 37.519 29.482
76 HB2 LEU 10 HB2 LEU 10 27.896 35.858 31.007
77 HB3 LEU 10 HB3 LEU 10 27.727 34.570 29.842
78 HG LEU 10 HG LEU 10 30.083 34.926 29.128
79 HD11 LEU 10 HD11 LEU 10 31.599 36.091 30.662
80 HD12 LEU 10 HD12 LEU 10 30.388 37.236 30.080
81 HD13 LEU 10 HD13 LEU 10 30.248 36.559 31.710
82 HD21 LEU 10 HD21 LEU 10 29.556 34.196 32.039
83 HD22 LEU 10 HD22 LEU 10 29.474 33.110 30.632
84 HD23 LEU 10 HD23 LEU 10 31.026 33.791 31.126
85 H SER 11 H SER 11 28.274 34.986 27.012
86 HA SER 11 HA SER 11 30.622 36.073 25.870
87 HB2 SER 11 HB2 SER 11 29.817 33.831 25.364
88 HB3 SER 11 HB3 SER 11 28.355 34.482 24.611
89 HG SER 11 HG SER 11 31.049 34.736 23.719
90 H CYS 12 H CYS 12 27.184 36.683 24.907
91 HA CYS 12 HA CYS 12 27.955 38.584 22.873
92 HB2 CYS 12 HB2 CYS 12 25.245 38.242 24.188
93 HB3 CYS 12 HB3 CYS 12 25.592 39.033 22.636
94 H ARG 13 H ARG 13 27.088 39.013 26.346
95 HA ARG 13 HA ARG 13 27.155 41.867 26.354
96 HB2 ARG 13 HB2 ARG 13 26.291 40.574 28.206
97 HB3 ARG 13 HB3 ARG 13 27.864 39.841 28.512
98 HG2 ARG 13 HG2 ARG 13 28.803 41.941 29.215
99 HG3 ARG 13 HG3 ARG 13 27.384 42.852 28.682
100 HD2 ARG 13 HD2 ARG 13 27.245 40.682 30.800
101 HD3 ARG 13 HD3 ARG 13 27.647 42.372 31.175
102 HE ARG 13 HE ARG 13 25.194 42.185 29.638
103 HH11 ARG 13 HH11 ARG 13 26.373 41.748 32.915
104 HH12 ARG 13 HH12 ARG 13 24.811 42.184 33.597
105 HH21 ARG 13 HH21 ARG 13 23.414 43.069 30.618
106 HH22 ARG 13 HH22 ARG 13 23.356 43.193 32.353
107 H SER 14 H SER 14 29.884 39.598 26.065
108 HA SER 14 HA SER 14 31.923 41.492 26.786
109 HB2 SER 14 HB2 SER 14 33.506 40.129 25.740
110 HB3 SER 14 HB3 SER 14 32.304 39.027 26.419
111 HG SER 14 HG SER 14 31.474 38.715 24.349
112 H LEU 15 H LEU 15 30.010 41.172 23.884
113 HA LEU 15 HA LEU 15 31.440 43.371 22.476
114 HB2 LEU 15 HB2 LEU 15 29.422 41.307 21.534
115 HB3 LEU 15 HB3 LEU 15 30.149 42.545 20.513
116 HG LEU 15 HG LEU 15 31.709 40.335 21.932
117 HD11 LEU 15 HD11 LEU 15 31.908 39.300 19.746
118 HD12 LEU 15 HD12 LEU 15 30.198 39.469 20.175
119 HD13 LEU 15 HD13 LEU 15 30.943 40.593 19.012
120 HD21 LEU 15 HD21 LEU 15 33.130 42.286 21.496
121 HD22 LEU 15 HD22 LEU 15 33.528 40.997 20.360
122 HD23 LEU 15 HD23 LEU 15 32.546 42.375 19.818
123 H GLY 16 H GLY 16 28.894 43.079 24.588
124 HA2 GLY 16 HA2 GLY 16 27.563 44.791 25.347
125 HA3 GLY 16 HA3 GLY 16 27.943 45.757 23.931
126 H LEU 17 H LEU 17 26.465 42.477 23.737
127 HA LEU 17 HA LEU 17 23.788 43.649 23.392
128 HB2 LEU 17 HB2 LEU 17 23.341 42.823 21.253
129 HB3 LEU 17 HB3 LEU 17 24.775 43.816 21.141
130 HG LEU 17 HG LEU 17 24.821 40.782 21.259
131 HD11 LEU 17 HD11 LEU 17 25.070 40.862 18.774
132 HD12 LEU 17 HD12 LEU 17 23.506 41.497 19.303
133 HD13 LEU 17 HD13 LEU 17 24.796 42.615 18.820
134 HD21 LEU 17 HD21 LEU 17 26.874 42.800 20.259
135 HD22 LEU 17 HD22 LEU 17 27.016 41.786 21.708
136 HD23 LEU 17 HD23 LEU 17 27.021 41.034 20.115
137 H LEU 18 H LEU 18 22.158 41.808 22.766
138 HA LEU 18 HA LEU 18 22.147 40.072 25.140
139 HB2 LEU 18 HB2 LEU 18 20.116 40.656 22.968
140 HB3 LEU 18 HB3 LEU 18 19.790 39.684 24.393
141 HG LEU 18 HG LEU 18 20.531 42.645 24.428
142 HD11 LEU 18 HD11 LEU 18 17.839 41.271 24.806
143 HD12 LEU 18 HD12 LEU 18 18.167 43.012 24.968
144 HD13 LEU 18 HD13 LEU 18 18.333 42.227 23.389
145 HD21 LEU 18 HD21 LEU 18 21.139 41.507 26.540
146 HD22 LEU 18 HD22 LEU 18 19.741 42.561 26.772
147 HD23 LEU 18 HD23 LEU 18 19.505 40.809 26.640
148 H GLY 19 H GLY 19 21.093 37.778 24.788
149 HA2 GLY 19 HA2 GLY 19 22.351 36.395 22.454
150 HA3 GLY 19 HA3 GLY 19 22.816 35.919 24.075
151 H LYS 20 H LYS 20 21.527 34.494 21.833
152 HA LYS 20 HA LYS 20 19.248 33.191 23.251
153 HB2 LYS 20 HB2 LYS 20 19.338 34.021 20.324
154 HB3 LYS 20 HB3 LYS 20 18.087 33.018 21.046
155 HG2 LYS 20 HG2 LYS 20 18.605 35.917 21.818
156 HG3 LYS 20 HG3 LYS 20 17.442 35.370 20.610
157 HD2 LYS 20 HD2 LYS 20 16.288 34.015 22.394
158 HD3 LYS 20 HD3 LYS 20 17.348 34.799 23.593
159 HE2 LYS 20 HE2 LYS 20 16.538 37.017 22.890
160 HE3 LYS 20 HE3 LYS 20 15.571 36.290 21.600
161 HZ1 LYS 20 HZ1 LYS 20 14.288 35.129 23.333
162 HZ2 LYS 20 HZ2 LYS 20 15.152 35.904 24.510
163 HZ3 LYS 20 HZ3 LYS 20 14.176 36.757 23.523
164 H CYS 21 H CYS 21 18.930 30.951 22.631
165 HA CYS 21 HA CYS 21 21.194 29.700 21.139
166 HB2 CYS 21 HB2 CYS 21 21.017 27.839 22.470
167 HB3 CYS 21 HB3 CYS 21 20.987 29.206 23.556
168 H ILE 22 H ILE 22 19.674 30.668 19.349
169 HA ILE 22 HA ILE 22 17.146 29.650 18.761
170 HB ILE 22 HB ILE 22 19.235 30.652 16.795
171 HG12 ILE 22 HG12 ILE 22 18.904 32.320 18.541
172 HG13 ILE 22 HG13 ILE 22 18.242 32.859 17.016
173 HG21 ILE 22 HG21 ILE 22 16.216 30.394 16.521
174 HG22 ILE 22 HG22 ILE 22 17.228 31.373 15.442
175 HG23 ILE 22 HG23 ILE 22 17.475 29.632 15.523
176 HD11 ILE 22 HD11 ILE 22 16.608 31.797 19.361
177 HD12 ILE 22 HD12 ILE 22 16.769 33.486 18.858
178 HD13 ILE 22 HD13 ILE 22 15.935 32.336 17.803
179 H GLY 23 H GLY 23 20.231 28.399 17.349
180 HA2 GLY 23 HA2 GLY 23 18.831 25.861 16.590
181 HA3 GLY 23 HA3 GLY 23 20.348 26.478 15.919
182 H GLU 24 H GLU 24 19.401 26.308 19.352
183 HA GLU 24 HA GLU 24 20.335 25.454 21.205
184 HB2 GLU 24 HB2 GLU 24 21.729 23.380 19.505
185 HB3 GLU 24 HB3 GLU 24 21.594 23.365 21.252
186 HG2 GLU 24 HG2 GLU 24 19.188 23.237 19.374
187 HG3 GLU 24 HG3 GLU 24 20.047 21.834 19.973
188 H GLU 25 H GLU 25 22.642 26.025 18.597
189 HA GLU 25 HA GLU 25 24.851 26.722 20.404
190 HB2 GLU 25 HB2 GLU 25 24.356 26.913 17.409
191 HB3 GLU 25 HB3 GLU 25 25.804 27.579 18.153
192 HG2 GLU 25 HG2 GLU 25 24.919 24.659 18.347
193 HG3 GLU 25 HG3 GLU 25 26.129 25.272 17.230
194 H CYS 26 H CYS 26 25.739 28.786 20.714
195 HA CYS 26 HA CYS 26 23.829 30.781 21.299
196 HB2 CYS 26 HB2 CYS 26 25.888 30.449 22.536
197 HB3 CYS 26 HB3 CYS 26 26.847 30.852 21.122
198 H LYS 27 H LYS 27 23.006 32.427 20.260
199 HA LYS 27 HA LYS 27 24.353 33.724 17.917
200 HB2 LYS 27 HB2 LYS 27 21.384 33.137 18.347
201 HB3 LYS 27 HB3 LYS 27 21.995 34.237 17.123
202 HG2 LYS 27 HG2 LYS 27 22.593 31.254 17.237
203 HG3 LYS 27 HG3 LYS 27 21.364 32.027 16.243
204 HD2 LYS 27 HD2 LYS 27 23.423 33.471 15.357
205 HD3 LYS 27 HD3 LYS 27 24.359 32.084 15.965
206 HE2 LYS 27 HE2 LYS 27 22.994 30.563 14.544
207 HE3 LYS 27 HE3 LYS 27 22.040 31.943 13.999
208 HZ1 LYS 27 HZ1 LYS 27 23.662 31.478 12.356
209 HZ2 LYS 27 HZ2 LYS 27 24.107 32.894 13.053
210 HZ3 LYS 27 HZ3 LYS 27 24.907 31.513 13.449
211 H CYS 28 H CYS 28 24.727 35.862 18.318
212 HA CYS 28 HA CYS 28 23.408 37.090 20.650
213 HB2 CYS 28 HB2 CYS 28 25.443 38.396 18.854
214 HB3 CYS 28 HB3 CYS 28 24.880 38.902 20.430
215 H VAL 29 H VAL 29 22.165 38.990 20.640
216 HA VAL 29 HA VAL 29 20.754 39.606 18.095
217 HB VAL 29 HB VAL 29 18.594 39.264 19.051
218 HG11 VAL 29 HG11 VAL 29 19.776 37.305 18.021
219 HG12 VAL 29 HG12 VAL 29 20.176 36.755 19.663
220 HG13 VAL 29 HG13 VAL 29 18.480 36.899 19.151
221 HG21 VAL 29 HG21 VAL 29 18.871 39.816 21.364
222 HG22 VAL 29 HG22 VAL 29 18.220 38.191 21.236
223 HG23 VAL 29 HG23 VAL 29 19.937 38.408 21.623
224 HA PRO 30 HA PRO 30 21.161 43.677 19.217
225 HB2 PRO 30 HB2 PRO 30 19.019 44.998 18.071
226 HB3 PRO 30 HB3 PRO 30 20.355 44.248 17.151
227 HG2 PRO 30 HG2 PRO 30 17.651 43.045 17.811
228 HG3 PRO 30 HG3 PRO 30 18.464 43.126 16.212
229 HD2 PRO 30 HD2 PRO 30 18.619 40.909 17.710
230 HD3 PRO 30 HD3 PRO 30 20.064 41.493 16.843
231 H ALA 31 H ALA 31 20.896 45.138 20.780
232 HA ALA 31 HA ALA 31 18.994 44.613 22.959
233 HB1 ALA 31 HB1 ALA 31 21.390 44.920 23.421
234 HB2 ALA 31 HB2 ALA 31 21.341 46.545 22.697
235 HB3 ALA 31 HB3 ALA 31 20.439 46.204 24.186
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 14.957 23.624 22.554
2 H2 ALA 1 H2 ALA 1 14.746 22.294 23.497
3 H3 ALA 1 H3 ALA 1 14.973 22.111 21.898
4 HA ALA 1 HA ALA 1 16.979 21.518 22.894
5 HB1 ALA 1 HB1 ALA 1 18.548 23.197 21.970
6 HB2 ALA 1 HB2 ALA 1 17.236 22.836 20.833
7 HB3 ALA 1 HB3 ALA 1 17.210 24.346 21.773
8 H PHE 2 H PHE 2 18.463 21.659 24.504
9 HA PHE 2 HA PHE 2 17.630 23.179 26.907
10 HB2 PHE 2 HB2 PHE 2 19.601 20.886 26.581
11 HB3 PHE 2 HB3 PHE 2 19.014 21.561 28.101
12 HD1 PHE 2 HD1 PHE 2 16.576 21.289 28.738
13 HD2 PHE 2 HD2 PHE 2 18.284 19.299 25.310
14 HE1 PHE 2 HE1 PHE 2 14.609 19.783 28.628
15 HE2 PHE 2 HE2 PHE 2 16.307 17.798 25.202
16 HZ PHE 2 HZ PHE 2 14.471 18.038 26.856
17 H CYS 3 H CYS 3 18.382 25.045 25.598
18 HA CYS 3 HA CYS 3 20.828 25.477 24.567
19 HB2 CYS 3 HB2 CYS 3 18.953 27.498 25.803
20 HB3 CYS 3 HB3 CYS 3 20.218 27.872 24.620
21 H ASN 4 H ASN 4 22.746 26.346 24.967
22 HA ASN 4 HA ASN 4 23.745 26.590 27.701
23 HB2 ASN 4 HB2 ASN 4 25.212 27.060 25.072
24 HB3 ASN 4 HB3 ASN 4 25.927 26.762 26.657
25 HD21 ASN 4 HD21 ASN 4 24.694 23.266 26.564
26 HD22 ASN 4 HD22 ASN 4 24.882 24.596 27.703
27 H LEU 5 H LEU 5 21.774 28.464 27.267
28 HA LEU 5 HA LEU 5 22.518 30.916 26.142
29 HB2 LEU 5 HB2 LEU 5 20.276 29.808 27.640
30 HB3 LEU 5 HB3 LEU 5 20.636 31.413 28.276
31 HG LEU 5 HG LEU 5 20.295 30.809 25.310
32 HD11 LEU 5 HD11 LEU 5 18.237 31.813 27.331
33 HD12 LEU 5 HD12 LEU 5 18.010 31.743 25.570
34 HD13 LEU 5 HD13 LEU 5 18.230 30.241 26.488
35 HD21 LEU 5 HD21 LEU 5 19.833 33.249 25.164
36 HD22 LEU 5 HD22 LEU 5 20.127 33.430 26.899
37 HD23 LEU 5 HD23 LEU 5 21.465 32.953 25.837
38 H ARG 6 H ARG 6 22.837 30.005 29.632
39 HA ARG 6 HA ARG 6 23.613 32.653 30.476
40 HB2 ARG 6 HB2 ARG 6 22.735 30.714 31.903
41 HB3 ARG 6 HB3 ARG 6 24.330 29.997 31.765
42 HG2 ARG 6 HG2 ARG 6 24.971 32.551 32.673
43 HG3 ARG 6 HG3 ARG 6 23.368 32.336 33.374
44 HD2 ARG 6 HD2 ARG 6 24.996 31.546 34.983
45 HD3 ARG 6 HD3 ARG 6 24.142 30.148 34.340
46 HE ARG 6 HE ARG 6 26.075 29.414 33.256
47 HH11 ARG 6 HH11 ARG 6 26.834 32.659 34.526
48 HH12 ARG 6 HH12 ARG 6 28.518 32.433 34.051
49 HH21 ARG 6 HH21 ARG 6 28.098 29.381 32.638
50 HH22 ARG 6 HH22 ARG 6 29.206 30.713 33.083
51 H ARG 7 H ARG 7 25.465 29.889 29.298
52 HA ARG 7 HA ARG 7 28.099 30.959 29.682
53 HB2 ARG 7 HB2 ARG 7 27.123 28.496 29.287
54 HB3 ARG 7 HB3 ARG 7 27.297 28.897 27.583
55 HG2 ARG 7 HG2 ARG 7 29.715 29.307 27.947
56 HG3 ARG 7 HG3 ARG 7 29.489 29.030 29.687
57 HD2 ARG 7 HD2 ARG 7 30.408 27.015 28.672
58 HD3 ARG 7 HD3 ARG 7 28.757 26.709 29.238
59 HE ARG 7 HE ARG 7 28.930 27.516 26.412
60 HH11 ARG 7 HH11 ARG 7 28.661 24.659 28.477
61 HH12 ARG 7 HH12 ARG 7 28.762 23.615 27.058
62 HH21 ARG 7 HH21 ARG 7 28.727 26.176 24.815
63 HH22 ARG 7 HH22 ARG 7 28.580 24.432 25.080
64 H CYS 8 H CYS 8 25.800 31.158 26.950
65 HA CYS 8 HA CYS 8 27.830 32.428 25.223
66 HB2 CYS 8 HB2 CYS 8 26.181 32.610 23.595
67 HB3 CYS 8 HB3 CYS 8 25.948 31.026 24.348
68 H GLU 9 H GLU 9 25.037 33.471 27.103
69 HA GLU 9 HA GLU 9 24.817 36.156 26.460
70 HB2 GLU 9 HB2 GLU 9 24.393 34.669 29.059
71 HB3 GLU 9 HB3 GLU 9 24.072 36.391 28.964
72 HG2 GLU 9 HG2 GLU 9 22.834 34.654 26.833
73 HG3 GLU 9 HG3 GLU 9 22.195 34.543 28.473
74 H LEU 10 H LEU 10 27.272 34.817 28.705
75 HA LEU 10 HA LEU 10 28.192 37.379 29.610
76 HB2 LEU 10 HB2 LEU 10 29.858 36.217 30.751
77 HB3 LEU 10 HB3 LEU 10 28.504 35.109 30.678
78 HG LEU 10 HG LEU 10 29.797 34.217 28.504
79 HD11 LEU 10 HD11 LEU 10 32.045 35.197 30.327
80 HD12 LEU 10 HD12 LEU 10 32.225 34.203 28.867
81 HD13 LEU 10 HD13 LEU 10 31.687 35.875 28.731
82 HD21 LEU 10 HD21 LEU 10 29.149 32.900 30.496
83 HD22 LEU 10 HD22 LEU 10 30.770 32.477 29.932
84 HD23 LEU 10 HD23 LEU 10 30.572 33.512 31.364
85 H SER 11 H SER 11 28.940 35.559 26.715
86 HA SER 11 HA SER 11 31.145 37.330 25.871
87 HB2 SER 11 HB2 SER 11 31.229 34.998 25.203
88 HB3 SER 11 HB3 SER 11 29.629 35.110 24.455
89 HG SER 11 HG SER 11 31.961 36.549 23.663
90 H CYS 12 H CYS 12 27.628 36.883 25.167
91 HA CYS 12 HA CYS 12 27.585 38.983 23.193
92 HB2 CYS 12 HB2 CYS 12 25.214 38.146 24.876
93 HB3 CYS 12 HB3 CYS 12 25.238 38.880 23.259
94 H ARG 13 H ARG 13 27.038 39.052 26.747
95 HA ARG 13 HA ARG 13 26.592 41.853 27.015
96 HB2 ARG 13 HB2 ARG 13 26.692 39.765 28.811
97 HB3 ARG 13 HB3 ARG 13 28.272 40.460 29.087
98 HG2 ARG 13 HG2 ARG 13 27.107 41.732 30.579
99 HG3 ARG 13 HG3 ARG 13 26.807 42.748 29.176
100 HD2 ARG 13 HD2 ARG 13 24.987 40.718 30.510
101 HD3 ARG 13 HD3 ARG 13 24.713 42.448 30.303
102 HE ARG 13 HE ARG 13 24.388 42.047 27.872
103 HH11 ARG 13 HH11 ARG 13 23.563 39.336 30.001
104 HH12 ARG 13 HH12 ARG 13 23.075 38.403 28.581
105 HH21 ARG 13 HH21 ARG 13 23.796 40.625 26.216
106 HH22 ARG 13 HH22 ARG 13 23.116 39.067 26.730
107 H SER 14 H SER 14 29.665 40.028 26.878
108 HA SER 14 HA SER 14 31.419 42.248 27.193
109 HB2 SER 14 HB2 SER 14 32.116 39.873 27.319
110 HB3 SER 14 HB3 SER 14 31.857 39.706 25.576
111 HG SER 14 HG SER 14 33.707 41.364 26.923
112 H LEU 15 H LEU 15 29.671 41.138 24.311
113 HA LEU 15 HA LEU 15 30.965 43.132 22.551
114 HB2 LEU 15 HB2 LEU 15 28.943 40.916 22.122
115 HB3 LEU 15 HB3 LEU 15 29.501 41.985 20.834
116 HG LEU 15 HG LEU 15 31.307 40.118 22.440
117 HD11 LEU 15 HD11 LEU 15 31.327 38.746 20.398
118 HD12 LEU 15 HD12 LEU 15 29.692 38.880 21.053
119 HD13 LEU 15 HD13 LEU 15 30.158 39.843 19.630
120 HD21 LEU 15 HD21 LEU 15 32.908 40.545 20.591
121 HD22 LEU 15 HD22 LEU 15 31.813 41.778 19.933
122 HD23 LEU 15 HD23 LEU 15 32.573 42.005 21.527
123 H GLY 16 H GLY 16 28.418 43.213 24.727
124 HA2 GLY 16 HA2 GLY 16 26.958 44.883 25.224
125 HA3 GLY 16 HA3 GLY 16 27.484 45.798 23.827
126 H LEU 17 H LEU 17 26.118 42.502 23.613
127 HA LEU 17 HA LEU 17 23.440 43.553 22.978
128 HB2 LEU 17 HB2 LEU 17 23.240 42.600 20.857
129 HB3 LEU 17 HB3 LEU 17 24.680 43.600 20.823
130 HG LEU 17 HG LEU 17 24.545 40.587 21.038
131 HD11 LEU 17 HD11 LEU 17 25.285 40.560 18.684
132 HD12 LEU 17 HD12 LEU 17 23.792 41.492 18.831
133 HD13 LEU 17 HD13 LEU 17 25.336 42.336 18.668
134 HD21 LEU 17 HD21 LEU 17 26.971 40.647 20.360
135 HD22 LEU 17 HD22 LEU 17 26.935 42.406 20.631
136 HD23 LEU 17 HD23 LEU 17 26.643 41.275 21.974
137 H LEU 18 H LEU 18 22.028 41.392 22.243
138 HA LEU 18 HA LEU 18 21.987 39.992 24.853
139 HB2 LEU 18 HB2 LEU 18 19.922 40.328 22.652
140 HB3 LEU 18 HB3 LEU 18 19.677 39.355 24.082
141 HG LEU 18 HG LEU 18 18.541 41.393 24.383
142 HD11 LEU 18 HD11 LEU 18 19.434 42.206 26.476
143 HD12 LEU 18 HD12 LEU 18 19.678 40.455 26.384
144 HD13 LEU 18 HD13 LEU 18 21.041 41.568 26.106
145 HD21 LEU 18 HD21 LEU 18 19.419 43.587 24.349
146 HD22 LEU 18 HD22 LEU 18 21.081 43.025 24.142
147 HD23 LEU 18 HD23 LEU 18 19.897 42.818 22.824
148 H GLY 19 H GLY 19 21.888 37.745 25.136
149 HA2 GLY 19 HA2 GLY 19 22.718 36.038 22.855
150 HA3 GLY 19 HA3 GLY 19 22.564 35.563 24.543
151 H LYS 20 H LYS 20 21.387 34.670 21.763
152 HA LYS 20 HA LYS 20 18.767 33.853 22.901
153 HB2 LYS 20 HB2 LYS 20 18.421 35.937 21.576
154 HB3 LYS 20 HB3 LYS 20 19.052 35.117 20.144
155 HG2 LYS 20 HG2 LYS 20 17.201 33.496 20.225
156 HG3 LYS 20 HG3 LYS 20 16.604 34.198 21.733
157 HD2 LYS 20 HD2 LYS 20 16.784 35.705 19.080
158 HD3 LYS 20 HD3 LYS 20 15.337 34.878 19.672
159 HE2 LYS 20 HE2 LYS 20 15.297 36.317 21.679
160 HE3 LYS 20 HE3 LYS 20 16.735 37.181 21.119
161 HZ1 LYS 20 HZ1 LYS 20 15.444 37.898 19.161
162 HZ2 LYS 20 HZ2 LYS 20 14.128 37.092 19.698
163 HZ3 LYS 20 HZ3 LYS 20 14.724 38.381 20.543
164 H CYS 21 H CYS 21 18.173 31.796 22.383
165 HA CYS 21 HA CYS 21 20.162 30.117 21.015
166 HB2 CYS 21 HB2 CYS 21 18.991 29.618 23.209
167 HB3 CYS 21 HB3 CYS 21 17.548 29.284 22.258
168 H ILE 22 H ILE 22 19.819 31.279 18.925
169 HA ILE 22 HA ILE 22 17.318 31.345 17.630
170 HB ILE 22 HB ILE 22 18.409 32.015 15.662
171 HG12 ILE 22 HG12 ILE 22 21.130 31.341 16.863
172 HG13 ILE 22 HG13 ILE 22 20.285 30.302 15.709
173 HG21 ILE 22 HG21 ILE 22 19.504 34.001 16.476
174 HG22 ILE 22 HG22 ILE 22 18.223 33.577 17.611
175 HG23 ILE 22 HG23 ILE 22 19.920 33.231 18.015
176 HD11 ILE 22 HD11 ILE 22 20.166 32.212 14.101
177 HD12 ILE 22 HD12 ILE 22 21.235 33.131 15.190
178 HD13 ILE 22 HD13 ILE 22 21.799 31.619 14.445
179 H GLY 23 H GLY 23 19.361 28.593 17.900
180 HA2 GLY 23 HA2 GLY 23 17.426 26.791 17.209
181 HA3 GLY 23 HA3 GLY 23 18.238 27.066 15.668
182 H GLU 24 H GLU 24 18.197 25.162 18.345
183 HA GLU 24 HA GLU 24 19.421 23.575 19.330
184 HB2 GLU 24 HB2 GLU 24 21.483 23.696 17.122
185 HB3 GLU 24 HB3 GLU 24 21.090 22.355 18.182
186 HG2 GLU 24 HG2 GLU 24 19.427 23.445 15.887
187 HG3 GLU 24 HG3 GLU 24 20.248 21.895 15.979
188 H GLU 25 H GLU 25 21.392 26.304 18.331
189 HA GLU 25 HA GLU 25 22.946 26.274 20.869
190 HB2 GLU 25 HB2 GLU 25 24.021 26.541 18.045
191 HB3 GLU 25 HB3 GLU 25 24.952 26.904 19.480
192 HG2 GLU 25 HG2 GLU 25 23.782 24.150 18.833
193 HG3 GLU 25 HG3 GLU 25 25.412 24.670 18.433
194 H CYS 26 H CYS 26 23.945 28.341 21.369
195 HA CYS 26 HA CYS 26 22.115 30.559 20.744
196 HB2 CYS 26 HB2 CYS 26 22.632 30.080 23.067
197 HB3 CYS 26 HB3 CYS 26 24.361 30.212 22.730
198 H LYS 27 H LYS 27 22.545 32.436 19.823
199 HA LYS 27 HA LYS 27 25.309 33.250 19.167
200 HB2 LYS 27 HB2 LYS 27 23.066 33.355 17.097
201 HB3 LYS 27 HB3 LYS 27 24.683 34.060 16.941
202 HG2 LYS 27 HG2 LYS 27 25.600 31.689 17.321
203 HG3 LYS 27 HG3 LYS 27 23.943 31.114 17.077
204 HD2 LYS 27 HD2 LYS 27 23.966 32.234 14.811
205 HD3 LYS 27 HD3 LYS 27 25.668 32.657 15.089
206 HE2 LYS 27 HE2 LYS 27 26.199 30.248 15.415
207 HE3 LYS 27 HE3 LYS 27 24.509 29.834 15.094
208 HZ1 LYS 27 HZ1 LYS 27 26.312 31.195 13.179
209 HZ2 LYS 27 HZ2 LYS 27 25.960 29.592 13.136
210 HZ3 LYS 27 HZ3 LYS 27 24.772 30.725 12.868
211 H CYS 28 H CYS 28 25.467 35.621 18.886
212 HA CYS 28 HA CYS 28 23.552 36.867 20.747
213 HB2 CYS 28 HB2 CYS 28 25.930 38.258 19.558
214 HB3 CYS 28 HB3 CYS 28 25.030 38.633 21.003
215 H VAL 29 H VAL 29 22.260 38.651 20.302
216 HA VAL 29 HA VAL 29 21.790 39.375 17.453
217 HB VAL 29 HB VAL 29 19.370 39.192 17.827
218 HG11 VAL 29 HG11 VAL 29 20.794 36.542 18.272
219 HG12 VAL 29 HG12 VAL 29 19.183 36.786 17.556
220 HG13 VAL 29 HG13 VAL 29 20.627 37.374 16.713
221 HG21 VAL 29 HG21 VAL 29 19.274 39.286 20.300
222 HG22 VAL 29 HG22 VAL 29 18.439 37.870 19.664
223 HG23 VAL 29 HG23 VAL 29 20.054 37.698 20.395
224 HA PRO 30 HA PRO 30 21.573 43.458 19.094
225 HB2 PRO 30 HB2 PRO 30 20.082 44.811 17.238
226 HB3 PRO 30 HB3 PRO 30 21.736 44.207 16.915
227 HG2 PRO 30 HG2 PRO 30 19.103 42.874 16.202
228 HG3 PRO 30 HG3 PRO 30 20.524 43.152 15.148
229 HD2 PRO 30 HD2 PRO 30 20.105 40.769 16.388
230 HD3 PRO 30 HD3 PRO 30 21.756 41.427 16.190
231 H ALA 31 H ALA 31 20.288 44.859 20.242
232 HA ALA 31 HA ALA 31 17.956 43.886 21.562
233 HB1 ALA 31 HB1 ALA 31 19.552 45.479 22.565
234 HB2 ALA 31 HB2 ALA 31 19.059 46.721 21.395
235 HB3 ALA 31 HB3 ALA 31 17.898 46.113 22.591
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 20.271 17.923 26.888
2 H2 ALA 1 H2 ALA 1 21.576 17.074 27.439
3 H3 ALA 1 H3 ALA 1 21.761 18.204 26.263
4 HA ALA 1 HA ALA 1 20.905 18.733 29.007
5 HB1 ALA 1 HB1 ALA 1 23.280 18.095 28.928
6 HB2 ALA 1 HB2 ALA 1 23.579 19.304 27.664
7 HB3 ALA 1 HB3 ALA 1 23.115 19.822 29.300
8 H PHE 2 H PHE 2 20.765 20.996 29.537
9 HA PHE 2 HA PHE 2 19.314 22.599 27.739
10 HB2 PHE 2 HB2 PHE 2 20.976 23.560 30.089
11 HB3 PHE 2 HB3 PHE 2 19.544 24.313 29.419
12 HD1 PHE 2 HD1 PHE 2 20.572 22.700 32.229
13 HD2 PHE 2 HD2 PHE 2 17.488 22.321 29.226
14 HE1 PHE 2 HE1 PHE 2 19.186 21.386 33.812
15 HE2 PHE 2 HE2 PHE 2 16.117 20.991 30.808
16 HZ PHE 2 HZ PHE 2 16.969 20.515 33.099
17 H CYS 3 H CYS 3 19.835 24.761 26.867
18 HA CYS 3 HA CYS 3 21.995 24.455 25.051
19 HB2 CYS 3 HB2 CYS 3 19.735 25.414 24.630
20 HB3 CYS 3 HB3 CYS 3 20.163 26.841 25.556
21 H ASN 4 H ASN 4 22.379 25.415 28.039
22 HA ASN 4 HA ASN 4 23.693 26.703 29.333
23 HB2 ASN 4 HB2 ASN 4 25.643 26.594 27.028
24 HB3 ASN 4 HB3 ASN 4 26.013 26.965 28.716
25 HD21 ASN 4 HD21 ASN 4 25.277 23.322 29.433
26 HD22 ASN 4 HD22 ASN 4 24.454 24.778 29.966
27 H LEU 5 H LEU 5 21.714 28.104 28.383
28 HA LEU 5 HA LEU 5 22.127 30.309 26.711
29 HB2 LEU 5 HB2 LEU 5 19.997 29.371 27.419
30 HB3 LEU 5 HB3 LEU 5 20.214 29.963 29.065
31 HG LEU 5 HG LEU 5 20.156 31.879 26.713
32 HD11 LEU 5 HD11 LEU 5 17.704 32.086 27.038
33 HD12 LEU 5 HD12 LEU 5 18.165 30.460 26.498
34 HD13 LEU 5 HD13 LEU 5 17.756 30.745 28.199
35 HD21 LEU 5 HD21 LEU 5 19.277 32.144 29.626
36 HD22 LEU 5 HD22 LEU 5 20.716 32.900 28.905
37 HD23 LEU 5 HD23 LEU 5 19.108 33.407 28.390
38 H ARG 6 H ARG 6 22.945 30.068 30.171
39 HA ARG 6 HA ARG 6 23.354 32.923 30.560
40 HB2 ARG 6 HB2 ARG 6 22.838 31.146 32.327
41 HB3 ARG 6 HB3 ARG 6 24.526 30.629 32.178
42 HG2 ARG 6 HG2 ARG 6 25.277 32.898 32.836
43 HG3 ARG 6 HG3 ARG 6 23.582 33.431 32.910
44 HD2 ARG 6 HD2 ARG 6 24.364 33.021 35.128
45 HD3 ARG 6 HD3 ARG 6 23.183 31.757 34.730
46 HE ARG 6 HE ARG 6 25.732 30.758 34.023
47 HH11 ARG 6 HH11 ARG 6 24.477 31.935 37.068
48 HH12 ARG 6 HH12 ARG 6 25.532 30.850 37.959
49 HH21 ARG 6 HH21 ARG 6 26.923 29.465 35.181
50 HH22 ARG 6 HH22 ARG 6 26.753 29.310 36.919
51 H ARG 7 H ARG 7 25.406 30.291 29.429
52 HA ARG 7 HA ARG 7 27.906 31.839 29.375
53 HB2 ARG 7 HB2 ARG 7 27.185 29.353 27.770
54 HB3 ARG 7 HB3 ARG 7 28.792 30.037 28.008
55 HG2 ARG 7 HG2 ARG 7 28.631 29.489 30.444
56 HG3 ARG 7 HG3 ARG 7 27.044 28.755 30.154
57 HD2 ARG 7 HD2 ARG 7 28.199 27.232 28.441
58 HD3 ARG 7 HD3 ARG 7 29.740 27.846 29.053
59 HE ARG 7 HE ARG 7 28.358 27.035 31.323
60 HH11 ARG 7 HH11 ARG 7 29.568 25.300 28.489
61 HH12 ARG 7 HH12 ARG 7 29.925 23.880 29.451
62 HH21 ARG 7 HH21 ARG 7 28.591 25.116 32.363
63 HH22 ARG 7 HH22 ARG 7 29.402 23.802 31.558
64 H CYS 8 H CYS 8 25.385 30.941 27.030
65 HA CYS 8 HA CYS 8 26.390 32.308 24.773
66 HB2 CYS 8 HB2 CYS 8 24.584 30.689 24.693
67 HB3 CYS 8 HB3 CYS 8 23.543 31.735 25.632
68 H GLU 9 H GLU 9 24.088 33.636 27.251
69 HA GLU 9 HA GLU 9 24.013 36.315 26.267
70 HB2 GLU 9 HB2 GLU 9 23.568 35.005 28.942
71 HB3 GLU 9 HB3 GLU 9 23.631 36.757 28.866
72 HG2 GLU 9 HG2 GLU 9 21.803 35.195 27.005
73 HG3 GLU 9 HG3 GLU 9 21.339 35.559 28.663
74 H LEU 10 H LEU 10 26.448 34.824 28.457
75 HA LEU 10 HA LEU 10 27.809 37.268 29.101
76 HB2 LEU 10 HB2 LEU 10 28.150 35.583 30.628
77 HB3 LEU 10 HB3 LEU 10 28.092 34.314 29.422
78 HG LEU 10 HG LEU 10 30.332 34.865 28.661
79 HD11 LEU 10 HD11 LEU 10 31.845 36.195 30.059
80 HD12 LEU 10 HD12 LEU 10 30.502 37.232 29.568
81 HD13 LEU 10 HD13 LEU 10 30.533 36.558 31.198
82 HD21 LEU 10 HD21 LEU 10 30.042 34.154 31.602
83 HD22 LEU 10 HD22 LEU 10 29.934 33.033 30.231
84 HD23 LEU 10 HD23 LEU 10 31.473 33.822 30.613
85 H SER 11 H SER 11 28.227 34.811 26.518
86 HA SER 11 HA SER 11 30.577 35.903 25.357
87 HB2 SER 11 HB2 SER 11 30.206 34.524 23.549
88 HB3 SER 11 HB3 SER 11 29.389 33.675 24.869
89 HG SER 11 HG SER 11 27.391 34.583 24.039
90 H CYS 12 H CYS 12 27.203 36.791 24.907
91 HA CYS 12 HA CYS 12 27.816 38.774 22.824
92 HB2 CYS 12 HB2 CYS 12 25.194 38.259 24.248
93 HB3 CYS 12 HB3 CYS 12 25.439 39.110 22.711
94 H ARG 13 H ARG 13 26.895 38.915 26.308
95 HA ARG 13 HA ARG 13 26.703 41.686 26.679
96 HB2 ARG 13 HB2 ARG 13 26.199 39.830 28.279
97 HB3 ARG 13 HB3 ARG 13 27.925 39.587 28.539
98 HG2 ARG 13 HG2 ARG 13 28.147 41.815 29.522
99 HG3 ARG 13 HG3 ARG 13 26.467 42.209 29.119
100 HD2 ARG 13 HD2 ARG 13 27.367 39.986 30.996
101 HD3 ARG 13 HD3 ARG 13 26.762 41.564 31.509
102 HE ARG 13 HE ARG 13 24.640 40.956 30.218
103 HH11 ARG 13 HH11 ARG 13 26.531 38.333 31.682
104 HH12 ARG 13 HH12 ARG 13 25.184 37.254 31.642
105 HH21 ARG 13 HH21 ARG 13 22.961 39.563 30.326
106 HH22 ARG 13 HH22 ARG 13 23.148 38.005 31.078
107 H SER 14 H SER 14 29.598 39.654 26.634
108 HA SER 14 HA SER 14 31.537 41.646 27.247
109 HB2 SER 14 HB2 SER 14 31.893 39.197 25.465
110 HB3 SER 14 HB3 SER 14 33.153 40.091 26.339
111 HG SER 14 HG SER 14 31.084 38.448 27.379
112 H LEU 15 H LEU 15 29.760 41.099 24.304
113 HA LEU 15 HA LEU 15 31.344 43.067 22.742
114 HB2 LEU 15 HB2 LEU 15 29.280 41.001 21.880
115 HB3 LEU 15 HB3 LEU 15 30.138 42.094 20.795
116 HG LEU 15 HG LEU 15 31.458 39.922 22.491
117 HD11 LEU 15 HD11 LEU 15 31.745 38.744 20.361
118 HD12 LEU 15 HD12 LEU 15 30.033 39.001 20.707
119 HD13 LEU 15 HD13 LEU 15 30.854 40.023 19.503
120 HD21 LEU 15 HD21 LEU 15 33.016 41.760 22.028
121 HD22 LEU 15 HD22 LEU 15 33.414 40.362 21.037
122 HD23 LEU 15 HD23 LEU 15 32.573 41.740 20.303
123 H GLY 16 H GLY 16 28.907 43.286 24.860
124 HA2 GLY 16 HA2 GLY 16 27.573 45.090 25.331
125 HA3 GLY 16 HA3 GLY 16 28.000 45.813 23.776
126 H LEU 17 H LEU 17 26.476 42.591 23.835
127 HA LEU 17 HA LEU 17 23.802 43.720 23.454
128 HB2 LEU 17 HB2 LEU 17 23.395 42.935 21.294
129 HB3 LEU 17 HB3 LEU 17 24.830 43.919 21.216
130 HG LEU 17 HG LEU 17 24.924 40.882 21.332
131 HD11 LEU 17 HD11 LEU 17 23.597 41.507 19.381
132 HD12 LEU 17 HD12 LEU 17 24.802 42.717 18.903
133 HD13 LEU 17 HD13 LEU 17 25.195 40.986 18.839
134 HD21 LEU 17 HD21 LEU 17 26.920 42.946 20.311
135 HD22 LEU 17 HD22 LEU 17 27.084 41.960 21.773
136 HD23 LEU 17 HD23 LEU 17 27.115 41.180 20.197
137 H LEU 18 H LEU 18 22.247 41.702 22.693
138 HA LEU 18 HA LEU 18 22.400 40.081 25.161
139 HB2 LEU 18 HB2 LEU 18 20.095 40.471 23.257
140 HB3 LEU 18 HB3 LEU 18 20.036 39.738 24.868
141 HG LEU 18 HG LEU 18 20.621 42.664 24.234
142 HD11 LEU 18 HD11 LEU 18 18.248 41.366 25.603
143 HD12 LEU 18 HD12 LEU 18 18.473 43.096 25.266
144 HD13 LEU 18 HD13 LEU 18 18.274 41.953 23.926
145 HD21 LEU 18 HD21 LEU 18 21.855 42.017 26.262
146 HD22 LEU 18 HD22 LEU 18 20.467 43.026 26.679
147 HD23 LEU 18 HD23 LEU 18 20.385 41.270 26.926
148 H GLY 19 H GLY 19 21.998 37.860 25.267
149 HA2 GLY 19 HA2 GLY 19 22.894 36.311 22.886
150 HA3 GLY 19 HA3 GLY 19 22.788 35.721 24.533
151 H LYS 20 H LYS 20 21.747 34.777 21.832
152 HA LYS 20 HA LYS 20 19.031 34.011 22.796
153 HB2 LYS 20 HB2 LYS 20 19.153 35.880 20.942
154 HB3 LYS 20 HB3 LYS 20 19.624 34.560 19.885
155 HG2 LYS 20 HG2 LYS 20 17.402 34.442 19.519
156 HG3 LYS 20 HG3 LYS 20 17.399 33.433 20.968
157 HD2 LYS 20 HD2 LYS 20 16.731 36.413 20.788
158 HD3 LYS 20 HD3 LYS 20 15.584 35.096 20.956
159 HE2 LYS 20 HE2 LYS 20 16.591 34.539 23.174
160 HE3 LYS 20 HE3 LYS 20 17.649 35.948 23.028
161 HZ1 LYS 20 HZ1 LYS 20 14.669 35.995 23.086
162 HZ2 LYS 20 HZ2 LYS 20 15.614 36.418 24.301
163 HZ3 LYS 20 HZ3 LYS 20 15.644 37.353 22.972
164 H CYS 21 H CYS 21 18.999 31.914 23.111
165 HA CYS 21 HA CYS 21 21.084 30.213 21.815
166 HB2 CYS 21 HB2 CYS 21 20.814 30.709 24.400
167 HB3 CYS 21 HB3 CYS 21 19.636 29.401 24.317
168 H ILE 22 H ILE 22 20.431 28.836 20.305
169 HA ILE 22 HA ILE 22 17.568 28.539 19.734
170 HB ILE 22 HB ILE 22 20.098 27.643 18.312
171 HG12 ILE 22 HG12 ILE 22 18.182 29.778 17.319
172 HG13 ILE 22 HG13 ILE 22 19.380 30.203 18.528
173 HG21 ILE 22 HG21 ILE 22 18.638 27.254 16.315
174 HG22 ILE 22 HG22 ILE 22 18.306 26.128 17.619
175 HG23 ILE 22 HG23 ILE 22 17.210 27.498 17.334
176 HD11 ILE 22 HD11 ILE 22 21.213 29.425 17.073
177 HD12 ILE 22 HD12 ILE 22 20.029 29.047 15.801
178 HD13 ILE 22 HD13 ILE 22 20.249 30.720 16.337
179 H GLY 23 H GLY 23 20.248 26.423 20.589
180 HA2 GLY 23 HA2 GLY 23 19.462 24.341 22.008
181 HA3 GLY 23 HA3 GLY 23 18.567 23.961 20.526
182 H GLU 24 H GLU 24 21.518 23.619 22.114
183 HA GLU 24 HA GLU 24 23.639 23.142 21.645
184 HB2 GLU 24 HB2 GLU 24 22.585 21.879 19.087
185 HB3 GLU 24 HB3 GLU 24 24.195 21.650 19.743
186 HG2 GLU 24 HG2 GLU 24 21.587 20.781 21.019
187 HG3 GLU 24 HG3 GLU 24 22.832 19.747 20.318
188 H GLU 25 H GLU 25 22.347 25.640 20.217
189 HA GLU 25 HA GLU 25 24.888 26.623 19.222
190 HB2 GLU 25 HB2 GLU 25 23.847 25.556 17.232
191 HB3 GLU 25 HB3 GLU 25 22.417 26.550 17.452
192 HG2 GLU 25 HG2 GLU 25 23.718 27.412 15.635
193 HG3 GLU 25 HG3 GLU 25 23.761 28.588 16.946
194 H CYS 26 H CYS 26 25.086 28.840 19.118
195 HA CYS 26 HA CYS 26 22.991 30.475 20.479
196 HB2 CYS 26 HB2 CYS 26 24.625 29.870 22.152
197 HB3 CYS 26 HB3 CYS 26 25.950 30.206 21.038
198 H LYS 27 H LYS 27 22.759 32.535 19.805
199 HA LYS 27 HA LYS 27 24.694 33.815 17.959
200 HB2 LYS 27 HB2 LYS 27 21.679 33.669 17.498
201 HB3 LYS 27 HB3 LYS 27 22.767 34.792 16.671
202 HG2 LYS 27 HG2 LYS 27 24.029 32.859 15.718
203 HG3 LYS 27 HG3 LYS 27 22.856 31.754 16.464
204 HD2 LYS 27 HD2 LYS 27 21.019 32.852 15.187
205 HD3 LYS 27 HD3 LYS 27 22.206 33.926 14.415
206 HE2 LYS 27 HE2 LYS 27 23.372 31.982 13.440
207 HE3 LYS 27 HE3 LYS 27 22.252 30.881 14.261
208 HZ1 LYS 27 HZ1 LYS 27 21.606 31.224 11.970
209 HZ2 LYS 27 HZ2 LYS 27 20.445 31.840 12.969
210 HZ3 LYS 27 HZ3 LYS 27 21.473 32.859 12.189
211 H CYS 28 H CYS 28 24.508 36.163 18.007
212 HA CYS 28 HA CYS 28 23.245 37.147 20.538
213 HB2 CYS 28 HB2 CYS 28 25.332 38.599 18.927
214 HB3 CYS 28 HB3 CYS 28 24.711 38.971 20.522
215 H VAL 29 H VAL 29 22.017 39.086 20.559
216 HA VAL 29 HA VAL 29 20.882 39.967 17.959
217 HB VAL 29 HB VAL 29 18.632 40.045 18.937
218 HG11 VAL 29 HG11 VAL 29 19.269 38.216 17.479
219 HG12 VAL 29 HG12 VAL 29 19.861 37.266 18.868
220 HG13 VAL 29 HG13 VAL 29 18.138 37.664 18.716
221 HG21 VAL 29 HG21 VAL 29 18.082 38.648 20.900
222 HG22 VAL 29 HG22 VAL 29 19.812 38.426 21.231
223 HG23 VAL 29 HG23 VAL 29 19.074 40.045 21.321
224 HA PRO 30 HA PRO 30 21.578 44.024 19.542
225 HB2 PRO 30 HB2 PRO 30 19.116 44.847 18.012
226 HB3 PRO 30 HB3 PRO 30 20.752 45.581 18.001
227 HG2 PRO 30 HG2 PRO 30 19.958 43.987 15.957
228 HG3 PRO 30 HG3 PRO 30 21.610 43.811 16.643
229 HD2 PRO 30 HD2 PRO 30 19.138 42.154 17.238
230 HD3 PRO 30 HD3 PRO 30 20.800 41.625 16.837
231 H ALA 31 H ALA 31 20.887 45.535 21.062
232 HA ALA 31 HA ALA 31 18.780 44.753 22.919
233 HB1 ALA 31 HB1 ALA 31 20.915 45.678 23.711
234 HB2 ALA 31 HB2 ALA 31 20.599 47.200 22.842
235 HB3 ALA 31 HB3 ALA 31 19.560 46.712 24.194
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 16.201 19.325 25.284
2 H2 ALA 1 H2 ALA 1 17.301 18.792 24.188
3 H3 ALA 1 H3 ALA 1 15.823 19.294 23.681
4 HA ALA 1 HA ALA 1 17.593 20.922 23.240
5 HB1 ALA 1 HB1 ALA 1 15.403 21.821 25.157
6 HB2 ALA 1 HB2 ALA 1 16.363 22.874 24.095
7 HB3 ALA 1 HB3 ALA 1 15.261 21.684 23.387
8 H PHE 2 H PHE 2 19.451 21.849 23.982
9 HA PHE 2 HA PHE 2 20.087 21.785 26.868
10 HB2 PHE 2 HB2 PHE 2 21.686 20.194 24.849
11 HB3 PHE 2 HB3 PHE 2 22.035 20.355 26.565
12 HD1 PHE 2 HD1 PHE 2 20.212 18.464 24.069
13 HD2 PHE 2 HD2 PHE 2 20.370 19.416 28.272
14 HE1 PHE 2 HE1 PHE 2 18.772 16.500 24.566
15 HE2 PHE 2 HE2 PHE 2 18.922 17.455 28.764
16 HZ PHE 2 HZ PHE 2 18.116 16.006 26.910
17 H CYS 3 H CYS 3 19.826 24.036 25.122
18 HA CYS 3 HA CYS 3 22.363 24.802 24.003
19 HB2 CYS 3 HB2 CYS 3 20.139 25.484 23.171
20 HB3 CYS 3 HB3 CYS 3 19.903 26.453 24.625
21 H ASN 4 H ASN 4 23.861 26.430 24.601
22 HA ASN 4 HA ASN 4 24.291 26.579 27.474
23 HB2 ASN 4 HB2 ASN 4 26.057 27.224 25.091
24 HB3 ASN 4 HB3 ASN 4 26.565 27.442 26.767
25 HD21 ASN 4 HD21 ASN 4 26.704 23.944 27.515
26 HD22 ASN 4 HD22 ASN 4 26.095 25.441 28.232
27 H LEU 5 H LEU 5 22.164 28.183 26.842
28 HA LEU 5 HA LEU 5 22.511 30.788 26.123
29 HB2 LEU 5 HB2 LEU 5 20.408 29.555 26.497
30 HB3 LEU 5 HB3 LEU 5 20.586 29.731 28.226
31 HG LEU 5 HG LEU 5 18.922 31.205 27.013
32 HD11 LEU 5 HD11 LEU 5 20.949 32.694 28.715
33 HD12 LEU 5 HD12 LEU 5 19.271 33.155 28.397
34 HD13 LEU 5 HD13 LEU 5 19.618 31.679 29.310
35 HD21 LEU 5 HD21 LEU 5 19.643 33.240 25.938
36 HD22 LEU 5 HD22 LEU 5 21.353 32.830 26.176
37 HD23 LEU 5 HD23 LEU 5 20.334 31.850 25.092
38 H ARG 6 H ARG 6 22.946 29.727 29.582
39 HA ARG 6 HA ARG 6 23.263 32.425 30.544
40 HB2 ARG 6 HB2 ARG 6 24.166 31.322 32.607
41 HB3 ARG 6 HB3 ARG 6 22.552 30.835 32.117
42 HG2 ARG 6 HG2 ARG 6 23.384 28.743 31.228
43 HG3 ARG 6 HG3 ARG 6 25.067 29.181 31.529
44 HD2 ARG 6 HD2 ARG 6 22.987 29.021 33.759
45 HD3 ARG 6 HD3 ARG 6 23.861 27.594 33.173
46 HE ARG 6 HE ARG 6 25.744 29.654 33.688
47 HH11 ARG 6 HH11 ARG 6 23.739 27.393 35.518
48 HH12 ARG 6 HH12 ARG 6 24.864 27.352 36.852
49 HH21 ARG 6 HH21 ARG 6 27.149 29.490 35.447
50 HH22 ARG 6 HH22 ARG 6 26.725 28.420 36.763
51 H ARG 7 H ARG 7 25.669 30.113 29.397
52 HA ARG 7 HA ARG 7 27.988 31.795 30.056
53 HB2 ARG 7 HB2 ARG 7 27.685 29.496 28.082
54 HB3 ARG 7 HB3 ARG 7 29.210 30.203 28.629
55 HG2 ARG 7 HG2 ARG 7 28.849 29.360 30.907
56 HG3 ARG 7 HG3 ARG 7 27.255 28.712 30.436
57 HD2 ARG 7 HD2 ARG 7 28.349 27.395 28.641
58 HD3 ARG 7 HD3 ARG 7 29.939 27.935 29.220
59 HE ARG 7 HE ARG 7 28.753 26.757 31.445
60 HH11 ARG 7 HH11 ARG 7 29.390 25.660 28.170
61 HH12 ARG 7 HH12 ARG 7 29.512 23.988 28.666
62 HH21 ARG 7 HH21 ARG 7 28.881 24.663 32.008
63 HH22 ARG 7 HH22 ARG 7 29.099 23.415 30.798
64 H CYS 8 H CYS 8 25.969 31.180 27.214
65 HA CYS 8 HA CYS 8 27.425 32.725 25.306
66 HB2 CYS 8 HB2 CYS 8 25.764 31.043 24.733
67 HB3 CYS 8 HB3 CYS 8 24.510 31.952 25.570
68 H GLU 9 H GLU 9 24.644 33.664 27.404
69 HA GLU 9 HA GLU 9 24.369 36.348 26.600
70 HB2 GLU 9 HB2 GLU 9 23.927 34.844 29.194
71 HB3 GLU 9 HB3 GLU 9 23.644 36.578 29.135
72 HG2 GLU 9 HG2 GLU 9 22.381 34.862 26.987
73 HG3 GLU 9 HG3 GLU 9 21.713 34.835 28.618
74 H LEU 10 H LEU 10 26.805 34.988 28.825
75 HA LEU 10 HA LEU 10 27.859 37.524 29.730
76 HB2 LEU 10 HB2 LEU 10 28.077 35.782 31.236
77 HB3 LEU 10 HB3 LEU 10 28.348 34.575 29.999
78 HG LEU 10 HG LEU 10 30.604 35.441 29.642
79 HD11 LEU 10 HD11 LEU 10 31.660 36.838 31.400
80 HD12 LEU 10 HD12 LEU 10 30.324 37.745 30.671
81 HD13 LEU 10 HD13 LEU 10 30.116 36.965 32.254
82 HD21 LEU 10 HD21 LEU 10 29.956 34.501 32.459
83 HD22 LEU 10 HD22 LEU 10 30.194 33.470 31.030
84 HD23 LEU 10 HD23 LEU 10 31.548 34.406 31.683
85 H SER 11 H SER 11 28.539 35.290 27.006
86 HA SER 11 HA SER 11 30.902 36.799 26.169
87 HB2 SER 11 HB2 SER 11 30.525 34.383 25.606
88 HB3 SER 11 HB3 SER 11 29.267 34.910 24.463
89 HG SER 11 HG SER 11 32.025 35.685 24.529
90 H CYS 12 H CYS 12 27.425 36.803 25.198
91 HA CYS 12 HA CYS 12 27.808 38.858 23.212
92 HB2 CYS 12 HB2 CYS 12 25.219 38.280 24.669
93 HB3 CYS 12 HB3 CYS 12 25.446 39.014 23.067
94 H ARG 13 H ARG 13 27.202 39.031 26.729
95 HA ARG 13 HA ARG 13 26.914 41.856 26.993
96 HB2 ARG 13 HB2 ARG 13 26.663 40.066 28.761
97 HB3 ARG 13 HB3 ARG 13 28.424 39.960 28.842
98 HG2 ARG 13 HG2 ARG 13 28.454 42.413 29.500
99 HG3 ARG 13 HG3 ARG 13 26.683 42.356 29.560
100 HD2 ARG 13 HD2 ARG 13 28.649 40.721 31.211
101 HD3 ARG 13 HD3 ARG 13 27.626 42.040 31.807
102 HE ARG 13 HE ARG 13 25.672 40.486 31.055
103 HH11 ARG 13 HH11 ARG 13 28.518 39.283 32.745
104 HH12 ARG 13 HH12 ARG 13 27.744 37.738 33.017
105 HH21 ARG 13 HH21 ARG 13 24.818 38.573 31.449
106 HH22 ARG 13 HH22 ARG 13 25.780 37.273 32.146
107 H SER 14 H SER 14 29.872 39.893 26.523
108 HA SER 14 HA SER 14 31.691 42.119 26.800
109 HB2 SER 14 HB2 SER 14 33.399 40.717 26.151
110 HB3 SER 14 HB3 SER 14 32.252 39.602 26.901
111 HG SER 14 HG SER 14 31.511 39.091 24.762
112 H LEU 15 H LEU 15 29.579 41.273 24.257
113 HA LEU 15 HA LEU 15 30.901 43.071 22.281
114 HB2 LEU 15 HB2 LEU 15 28.884 40.822 22.045
115 HB3 LEU 15 HB3 LEU 15 29.345 41.842 20.683
116 HG LEU 15 HG LEU 15 31.342 40.153 22.238
117 HD11 LEU 15 HD11 LEU 15 29.619 38.672 21.314
118 HD12 LEU 15 HD12 LEU 15 29.793 39.437 19.718
119 HD13 LEU 15 HD13 LEU 15 31.133 38.502 20.417
120 HD21 LEU 15 HD21 LEU 15 32.313 41.963 20.841
121 HD22 LEU 15 HD22 LEU 15 32.665 40.366 20.157
122 HD23 LEU 15 HD23 LEU 15 31.398 41.375 19.438
123 H GLY 16 H GLY 16 28.614 43.350 24.671
124 HA2 GLY 16 HA2 GLY 16 27.118 45.018 25.134
125 HA3 GLY 16 HA3 GLY 16 27.588 45.818 23.634
126 H LEU 17 H LEU 17 26.140 42.537 23.631
127 HA LEU 17 HA LEU 17 23.474 43.619 23.018
128 HB2 LEU 17 HB2 LEU 17 23.261 42.689 20.912
129 HB3 LEU 17 HB3 LEU 17 24.782 43.568 20.873
130 HG LEU 17 HG LEU 17 24.416 40.586 21.131
131 HD11 LEU 17 HD11 LEU 17 25.165 40.491 18.766
132 HD12 LEU 17 HD12 LEU 17 23.744 41.535 18.892
133 HD13 LEU 17 HD13 LEU 17 25.351 42.253 18.747
134 HD21 LEU 17 HD21 LEU 17 26.832 40.448 20.475
135 HD22 LEU 17 HD22 LEU 17 26.925 42.211 20.675
136 HD23 LEU 17 HD23 LEU 17 26.550 41.166 22.064
137 H LEU 18 H LEU 18 22.097 41.415 22.260
138 HA LEU 18 HA LEU 18 21.929 40.044 24.884
139 HB2 LEU 18 HB2 LEU 18 20.034 39.904 22.522
140 HB3 LEU 18 HB3 LEU 18 19.702 39.456 24.187
141 HG LEU 18 HG LEU 18 20.136 42.285 23.124
142 HD11 LEU 18 HD11 LEU 18 17.735 42.556 23.612
143 HD12 LEU 18 HD12 LEU 18 18.016 41.297 22.402
144 HD13 LEU 18 HD13 LEU 18 17.626 40.851 24.082
145 HD21 LEU 18 HD21 LEU 18 19.303 42.990 25.374
146 HD22 LEU 18 HD22 LEU 18 19.378 41.299 25.914
147 HD23 LEU 18 HD23 LEU 18 20.861 42.168 25.452
148 H GLY 19 H GLY 19 21.921 37.765 25.127
149 HA2 GLY 19 HA2 GLY 19 22.895 36.107 22.845
150 HA3 GLY 19 HA3 GLY 19 22.766 35.611 24.529
151 H LYS 20 H LYS 20 21.645 34.558 21.807
152 HA LYS 20 HA LYS 20 19.047 33.752 22.950
153 HB2 LYS 20 HB2 LYS 20 18.702 35.832 21.529
154 HB3 LYS 20 HB3 LYS 20 19.211 34.871 20.131
155 HG2 LYS 20 HG2 LYS 20 17.306 33.271 20.631
156 HG3 LYS 20 HG3 LYS 20 16.852 34.298 21.993
157 HD2 LYS 20 HD2 LYS 20 15.393 34.788 20.159
158 HD3 LYS 20 HD3 LYS 20 16.449 36.193 20.399
159 HE2 LYS 20 HE2 LYS 20 17.878 35.451 18.520
160 HE3 LYS 20 HE3 LYS 20 16.913 33.981 18.357
161 HZ1 LYS 20 HZ1 LYS 20 16.268 35.653 16.745
162 HZ2 LYS 20 HZ2 LYS 20 15.005 35.342 17.766
163 HZ3 LYS 20 HZ3 LYS 20 15.905 36.729 17.901
164 H CYS 21 H CYS 21 18.610 31.680 22.650
165 HA CYS 21 HA CYS 21 20.345 29.947 20.992
166 HB2 CYS 21 HB2 CYS 21 18.122 29.482 22.989
167 HB3 CYS 21 HB3 CYS 21 18.884 28.175 22.077
168 H ILE 22 H ILE 22 19.905 29.528 18.933
169 HA ILE 22 HA ILE 22 17.189 28.801 18.064
170 HB ILE 22 HB ILE 22 18.800 30.952 16.654
171 HG12 ILE 22 HG12 ILE 22 17.488 31.897 18.517
172 HG13 ILE 22 HG13 ILE 22 17.010 32.479 16.940
173 HG21 ILE 22 HG21 ILE 22 17.868 29.575 14.937
174 HG22 ILE 22 HG22 ILE 22 16.289 29.507 15.749
175 HG23 ILE 22 HG23 ILE 22 16.885 31.028 15.045
176 HD11 ILE 22 HD11 ILE 22 14.977 31.160 16.954
177 HD12 ILE 22 HD12 ILE 22 15.466 30.318 18.438
178 HD13 ILE 22 HD13 ILE 22 15.091 32.047 18.480
179 H GLY 23 H GLY 23 17.374 26.932 16.974
180 HA2 GLY 23 HA2 GLY 23 18.113 25.364 15.450
181 HA3 GLY 23 HA3 GLY 23 19.330 26.504 14.874
182 H GLU 24 H GLU 24 18.758 24.885 18.006
183 HA GLU 24 HA GLU 24 20.009 23.693 19.441
184 HB2 GLU 24 HB2 GLU 24 21.307 22.666 16.905
185 HB3 GLU 24 HB3 GLU 24 21.547 21.943 18.478
186 HG2 GLU 24 HG2 GLU 24 18.744 22.275 17.349
187 HG3 GLU 24 HG3 GLU 24 19.788 20.935 16.903
188 H GLU 25 H GLU 25 21.395 26.345 18.262
189 HA GLU 25 HA GLU 25 23.475 26.178 20.312
190 HB2 GLU 25 HB2 GLU 25 25.294 26.943 18.972
191 HB3 GLU 25 HB3 GLU 25 24.642 25.500 18.218
192 HG2 GLU 25 HG2 GLU 25 23.334 27.030 16.638
193 HG3 GLU 25 HG3 GLU 25 24.244 28.396 17.329
194 H CYS 26 H CYS 26 24.171 28.117 21.198
195 HA CYS 26 HA CYS 26 22.336 30.360 20.835
196 HB2 CYS 26 HB2 CYS 26 23.245 29.586 23.040
197 HB3 CYS 26 HB3 CYS 26 24.809 30.231 22.551
198 H LYS 27 H LYS 27 22.658 32.283 19.997
199 HA LYS 27 HA LYS 27 25.306 33.209 19.078
200 HB2 LYS 27 HB2 LYS 27 22.845 33.173 17.272
201 HB3 LYS 27 HB3 LYS 27 24.295 34.128 16.975
202 HG2 LYS 27 HG2 LYS 27 25.648 32.037 16.894
203 HG3 LYS 27 HG3 LYS 27 24.154 31.088 17.051
204 HD2 LYS 27 HD2 LYS 27 23.283 32.163 14.968
205 HD3 LYS 27 HD3 LYS 27 24.805 33.078 14.834
206 HE2 LYS 27 HE2 LYS 27 26.018 30.839 14.827
207 HE3 LYS 27 HE3 LYS 27 24.440 30.051 14.678
208 HZ1 LYS 27 HZ1 LYS 27 24.114 31.350 12.600
209 HZ2 LYS 27 HZ2 LYS 27 25.615 32.007 12.788
210 HZ3 LYS 27 HZ3 LYS 27 25.499 30.434 12.509
211 H CYS 28 H CYS 28 25.308 35.585 18.759
212 HA CYS 28 HA CYS 28 23.463 36.817 20.703
213 HB2 CYS 28 HB2 CYS 28 25.721 38.246 19.326
214 HB3 CYS 28 HB3 CYS 28 24.880 38.655 20.798
215 H VAL 29 H VAL 29 22.275 38.744 20.336
216 HA VAL 29 HA VAL 29 21.603 39.481 17.558
217 HB VAL 29 HB VAL 29 19.201 39.488 18.023
218 HG11 VAL 29 HG11 VAL 29 20.368 36.712 18.416
219 HG12 VAL 29 HG12 VAL 29 18.786 37.148 17.726
220 HG13 VAL 29 HG13 VAL 29 20.261 37.580 16.866
221 HG21 VAL 29 HG21 VAL 29 18.264 38.151 19.893
222 HG22 VAL 29 HG22 VAL 29 19.889 38.016 20.600
223 HG23 VAL 29 HG23 VAL 29 19.094 39.604 20.443
224 HA PRO 30 HA PRO 30 21.917 43.513 19.272
225 HB2 PRO 30 HB2 PRO 30 19.836 44.440 17.313
226 HB3 PRO 30 HB3 PRO 30 21.489 45.066 17.592
227 HG2 PRO 30 HG2 PRO 30 20.953 43.523 15.428
228 HG3 PRO 30 HG3 PRO 30 22.459 43.257 16.377
229 HD2 PRO 30 HD2 PRO 30 19.834 41.745 16.575
230 HD3 PRO 30 HD3 PRO 30 21.498 41.111 16.416
231 H ALA 31 H ALA 31 21.024 44.723 20.911
232 HA ALA 31 HA ALA 31 18.367 44.125 21.962
233 HB1 ALA 31 HB1 ALA 31 18.994 45.800 23.681
234 HB2 ALA 31 HB2 ALA 31 20.292 44.611 23.454
235 HB3 ALA 31 HB3 ALA 31 20.439 46.231 22.745
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 18.367 24.516 22.788
2 H2 ALA 1 H2 ALA 1 16.780 24.169 22.554
3 H3 ALA 1 H3 ALA 1 17.909 22.963 22.572
4 HA ALA 1 HA ALA 1 17.129 24.647 24.859
5 HB1 ALA 1 HB1 ALA 1 16.656 21.678 24.335
6 HB2 ALA 1 HB2 ALA 1 16.237 22.547 25.825
7 HB3 ALA 1 HB3 ALA 1 15.422 22.959 24.304
8 H PHE 2 H PHE 2 18.124 24.000 26.930
9 HA PHE 2 HA PHE 2 19.969 23.799 28.196
10 HB2 PHE 2 HB2 PHE 2 20.499 21.275 26.613
11 HB3 PHE 2 HB3 PHE 2 21.074 21.657 28.220
12 HD1 PHE 2 HD1 PHE 2 18.303 20.308 26.277
13 HD2 PHE 2 HD2 PHE 2 19.440 21.843 30.142
14 HE1 PHE 2 HE1 PHE 2 16.280 19.264 27.286
15 HE2 PHE 2 HE2 PHE 2 17.409 20.805 31.153
16 HZ PHE 2 HZ PHE 2 15.844 19.510 29.718
17 H CYS 3 H CYS 3 20.446 25.443 25.809
18 HA CYS 3 HA CYS 3 22.976 24.698 24.643
19 HB2 CYS 3 HB2 CYS 3 21.636 27.403 24.459
20 HB3 CYS 3 HB3 CYS 3 22.723 26.640 23.299
21 H ASN 4 H ASN 4 23.061 25.327 27.594
22 HA ASN 4 HA ASN 4 24.165 26.512 29.185
23 HB2 ASN 4 HB2 ASN 4 26.261 26.729 26.995
24 HB3 ASN 4 HB3 ASN 4 26.526 27.085 28.699
25 HD21 ASN 4 HD21 ASN 4 26.622 23.692 29.722
26 HD22 ASN 4 HD22 ASN 4 26.314 25.348 30.249
27 H LEU 5 H LEU 5 22.147 27.932 28.329
28 HA LEU 5 HA LEU 5 22.622 30.211 26.770
29 HB2 LEU 5 HB2 LEU 5 20.455 29.149 27.163
30 HB3 LEU 5 HB3 LEU 5 20.414 29.753 28.805
31 HG LEU 5 HG LEU 5 18.991 30.907 27.054
32 HD11 LEU 5 HD11 LEU 5 20.840 32.760 28.594
33 HD12 LEU 5 HD12 LEU 5 19.247 33.142 27.930
34 HD13 LEU 5 HD13 LEU 5 19.401 31.956 29.226
35 HD21 LEU 5 HD21 LEU 5 19.894 32.570 25.618
36 HD22 LEU 5 HD22 LEU 5 21.544 32.273 26.169
37 HD23 LEU 5 HD23 LEU 5 20.672 31.018 25.245
38 H ARG 6 H ARG 6 22.901 30.007 30.351
39 HA ARG 6 HA ARG 6 23.344 32.781 30.817
40 HB2 ARG 6 HB2 ARG 6 24.430 32.036 32.888
41 HB3 ARG 6 HB3 ARG 6 22.882 31.249 32.605
42 HG2 ARG 6 HG2 ARG 6 24.005 29.173 31.870
43 HG3 ARG 6 HG3 ARG 6 25.586 29.928 32.074
44 HD2 ARG 6 HD2 ARG 6 23.565 29.663 34.334
45 HD3 ARG 6 HD3 ARG 6 24.810 28.447 33.975
46 HE ARG 6 HE ARG 6 25.929 31.112 34.172
47 HH11 ARG 6 HH11 ARG 6 24.715 28.681 36.383
48 HH12 ARG 6 HH12 ARG 6 26.098 28.910 37.461
49 HH21 ARG 6 HH21 ARG 6 27.416 31.479 35.714
50 HH22 ARG 6 HH22 ARG 6 27.488 30.457 37.152
51 H ARG 7 H ARG 7 25.594 30.330 29.634
52 HA ARG 7 HA ARG 7 27.966 32.066 29.731
53 HB2 ARG 7 HB2 ARG 7 27.544 29.477 28.172
54 HB3 ARG 7 HB3 ARG 7 29.070 30.309 28.450
55 HG2 ARG 7 HG2 ARG 7 28.833 29.887 30.912
56 HG3 ARG 7 HG3 ARG 7 27.351 28.970 30.576
57 HD2 ARG 7 HD2 ARG 7 28.693 27.469 29.055
58 HD3 ARG 7 HD3 ARG 7 30.153 28.330 29.557
59 HE ARG 7 HE ARG 7 28.786 27.423 31.896
60 HH11 ARG 7 HH11 ARG 7 30.436 25.897 29.188
61 HH12 ARG 7 HH12 ARG 7 30.888 24.520 30.168
62 HH21 ARG 7 HH21 ARG 7 29.594 25.666 33.086
63 HH22 ARG 7 HH22 ARG 7 30.541 24.474 32.221
64 H CYS 8 H CYS 8 25.460 31.217 27.380
65 HA CYS 8 HA CYS 8 26.643 32.595 25.126
66 HB2 CYS 8 HB2 CYS 8 24.972 30.908 24.783
67 HB3 CYS 8 HB3 CYS 8 23.813 31.759 25.789
68 H GLU 9 H GLU 9 24.137 33.685 27.533
69 HA GLU 9 HA GLU 9 23.905 36.305 26.442
70 HB2 GLU 9 HB2 GLU 9 23.381 35.216 29.224
71 HB3 GLU 9 HB3 GLU 9 23.154 36.924 28.807
72 HG2 GLU 9 HG2 GLU 9 21.654 36.233 26.919
73 HG3 GLU 9 HG3 GLU 9 21.729 34.575 27.497
74 H LEU 10 H LEU 10 26.268 35.131 28.897
75 HA LEU 10 HA LEU 10 27.420 37.778 29.153
76 HB2 LEU 10 HB2 LEU 10 28.865 36.980 30.725
77 HB3 LEU 10 HB3 LEU 10 27.405 36.045 30.920
78 HG LEU 10 HG LEU 10 28.695 34.268 29.444
79 HD11 LEU 10 HD11 LEU 10 30.947 35.886 30.713
80 HD12 LEU 10 HD12 LEU 10 31.146 34.249 30.093
81 HD13 LEU 10 HD13 LEU 10 30.737 35.576 28.981
82 HD21 LEU 10 HD21 LEU 10 29.556 33.239 31.524
83 HD22 LEU 10 HD22 LEU 10 29.365 34.792 32.368
84 HD23 LEU 10 HD23 LEU 10 27.942 33.918 31.771
85 H SER 11 H SER 11 28.070 35.052 27.045
86 HA SER 11 HA SER 11 30.508 36.024 25.852
87 HB2 SER 11 HB2 SER 11 29.695 33.732 25.515
88 HB3 SER 11 HB3 SER 11 28.273 34.339 24.659
89 HG SER 11 HG SER 11 29.830 33.665 23.236
90 H CYS 12 H CYS 12 27.036 36.607 25.069
91 HA CYS 12 HA CYS 12 27.698 38.485 22.937
92 HB2 CYS 12 HB2 CYS 12 25.072 38.031 24.389
93 HB3 CYS 12 HB3 CYS 12 25.304 38.952 22.889
94 H ARG 13 H ARG 13 26.938 38.874 26.415
95 HA ARG 13 HA ARG 13 26.875 41.729 26.424
96 HB2 ARG 13 HB2 ARG 13 26.147 40.151 28.266
97 HB3 ARG 13 HB3 ARG 13 27.845 39.869 28.634
98 HG2 ARG 13 HG2 ARG 13 26.747 41.475 30.165
99 HG3 ARG 13 HG3 ARG 13 28.154 42.144 29.342
100 HD2 ARG 13 HD2 ARG 13 26.269 43.742 29.537
101 HD3 ARG 13 HD3 ARG 13 26.791 43.455 27.875
102 HE ARG 13 HE ARG 13 24.489 41.848 28.835
103 HH11 ARG 13 HH11 ARG 13 25.333 44.866 27.186
104 HH12 ARG 13 HH12 ARG 13 23.828 44.795 26.268
105 HH21 ARG 13 HH21 ARG 13 22.536 42.065 27.717
106 HH22 ARG 13 HH22 ARG 13 22.380 43.415 26.594
107 H SER 14 H SER 14 29.644 39.493 26.394
108 HA SER 14 HA SER 14 31.684 41.465 26.754
109 HB2 SER 14 HB2 SER 14 31.996 38.939 26.718
110 HB3 SER 14 HB3 SER 14 31.963 39.053 24.945
111 HG SER 14 HG SER 14 34.094 39.289 25.511
112 H LEU 15 H LEU 15 29.751 40.652 23.874
113 HA LEU 15 HA LEU 15 31.344 42.422 22.110
114 HB2 LEU 15 HB2 LEU 15 28.861 40.729 21.631
115 HB3 LEU 15 HB3 LEU 15 29.702 41.651 20.393
116 HG LEU 15 HG LEU 15 30.919 39.336 21.970
117 HD11 LEU 15 HD11 LEU 15 29.108 38.606 20.471
118 HD12 LEU 15 HD12 LEU 15 29.871 39.461 19.111
119 HD13 LEU 15 HD13 LEU 15 30.684 38.075 19.874
120 HD21 LEU 15 HD21 LEU 15 31.949 40.868 19.535
121 HD22 LEU 15 HD22 LEU 15 32.658 40.893 21.167
122 HD23 LEU 15 HD23 LEU 15 32.681 39.405 20.227
123 H GLY 16 H GLY 16 28.540 42.636 24.118
124 HA2 GLY 16 HA2 GLY 16 27.930 44.856 24.864
125 HA3 GLY 16 HA3 GLY 16 28.093 45.455 23.218
126 H LEU 17 H LEU 17 26.364 42.400 23.541
127 HA LEU 17 HA LEU 17 23.737 43.755 23.503
128 HB2 LEU 17 HB2 LEU 17 23.138 43.044 21.343
129 HB3 LEU 17 HB3 LEU 17 24.642 43.932 21.196
130 HG LEU 17 HG LEU 17 24.252 40.932 21.117
131 HD11 LEU 17 HD11 LEU 17 23.306 42.129 19.154
132 HD12 LEU 17 HD12 LEU 17 24.864 42.891 18.871
133 HD13 LEU 17 HD13 LEU 17 24.691 41.134 18.692
134 HD21 LEU 17 HD21 LEU 17 26.741 42.599 20.600
135 HD22 LEU 17 HD22 LEU 17 26.521 41.303 21.804
136 HD23 LEU 17 HD23 LEU 17 26.577 40.905 20.090
137 H LEU 18 H LEU 18 21.985 42.027 22.814
138 HA LEU 18 HA LEU 18 21.808 40.219 25.081
139 HB2 LEU 18 HB2 LEU 18 19.969 40.644 22.697
140 HB3 LEU 18 HB3 LEU 18 19.552 39.781 24.164
141 HG LEU 18 HG LEU 18 20.247 42.752 24.053
142 HD11 LEU 18 HD11 LEU 18 17.540 41.373 24.188
143 HD12 LEU 18 HD12 LEU 18 17.850 43.121 24.290
144 HD13 LEU 18 HD13 LEU 18 18.203 42.247 22.787
145 HD21 LEU 18 HD21 LEU 18 20.601 41.726 26.281
146 HD22 LEU 18 HD22 LEU 18 19.199 42.804 26.290
147 HD23 LEU 18 HD23 LEU 18 18.966 41.041 26.228
148 H GLY 19 H GLY 19 21.193 37.904 24.856
149 HA2 GLY 19 HA2 GLY 19 22.403 36.538 22.473
150 HA3 GLY 19 HA3 GLY 19 22.911 36.105 24.097
151 H LYS 20 H LYS 20 21.496 34.667 21.823
152 HA LYS 20 HA LYS 20 19.543 33.205 23.505
153 HB2 LYS 20 HB2 LYS 20 17.814 33.212 21.846
154 HB3 LYS 20 HB3 LYS 20 18.164 34.856 22.374
155 HG2 LYS 20 HG2 LYS 20 19.306 35.387 20.298
156 HG3 LYS 20 HG3 LYS 20 19.346 33.687 19.818
157 HD2 LYS 20 HD2 LYS 20 17.606 34.731 18.554
158 HD3 LYS 20 HD3 LYS 20 16.877 33.632 19.733
159 HE2 LYS 20 HE2 LYS 20 16.537 35.675 21.248
160 HE3 LYS 20 HE3 LYS 20 17.033 36.677 19.875
161 HZ1 LYS 20 HZ1 LYS 20 14.744 34.807 19.972
162 HZ2 LYS 20 HZ2 LYS 20 14.630 36.426 19.993
163 HZ3 LYS 20 HZ3 LYS 20 15.164 35.673 18.619
164 H CYS 21 H CYS 21 18.954 31.113 22.639
165 HA CYS 21 HA CYS 21 21.124 29.882 21.059
166 HB2 CYS 21 HB2 CYS 21 20.323 28.863 23.164
167 HB3 CYS 21 HB3 CYS 21 18.750 28.578 22.414
168 H ILE 22 H ILE 22 20.948 29.169 19.013
169 HA ILE 22 HA ILE 22 18.668 29.711 17.274
170 HB ILE 22 HB ILE 22 21.230 28.087 16.964
171 HG12 ILE 22 HG12 ILE 22 20.640 30.775 15.678
172 HG13 ILE 22 HG13 ILE 22 21.369 30.663 17.274
173 HG21 ILE 22 HG21 ILE 22 19.222 28.894 14.805
174 HG22 ILE 22 HG22 ILE 22 20.820 28.187 14.494
175 HG23 ILE 22 HG23 ILE 22 19.617 27.237 15.326
176 HD11 ILE 22 HD11 ILE 22 22.580 29.485 14.746
177 HD12 ILE 22 HD12 ILE 22 23.119 30.931 15.601
178 HD13 ILE 22 HD13 ILE 22 23.254 29.348 16.385
179 H GLY 23 H GLY 23 19.953 26.914 18.948
180 HA2 GLY 23 HA2 GLY 23 17.622 25.340 19.143
181 HA3 GLY 23 HA3 GLY 23 18.523 24.793 17.709
182 H GLU 24 H GLU 24 21.109 24.945 18.315
183 HA GLU 24 HA GLU 24 21.600 23.918 21.080
184 HB2 GLU 24 HB2 GLU 24 22.799 22.848 18.502
185 HB3 GLU 24 HB3 GLU 24 23.327 22.429 20.136
186 HG2 GLU 24 HG2 GLU 24 20.980 21.625 20.618
187 HG3 GLU 24 HG3 GLU 24 20.598 21.864 18.909
188 H GLU 25 H GLU 25 22.452 26.302 18.776
189 HA GLU 25 HA GLU 25 25.002 26.895 20.219
190 HB2 GLU 25 HB2 GLU 25 25.276 26.047 17.949
191 HB3 GLU 25 HB3 GLU 25 24.225 27.318 17.324
192 HG2 GLU 25 HG2 GLU 25 26.548 27.826 16.854
193 HG3 GLU 25 HG3 GLU 25 25.876 29.040 17.923
194 H CYS 26 H CYS 26 25.677 29.039 20.440
195 HA CYS 26 HA CYS 26 23.568 30.914 21.130
196 HB2 CYS 26 HB2 CYS 26 25.585 30.487 22.505
197 HB3 CYS 26 HB3 CYS 26 26.598 31.098 21.198
198 H LYS 27 H LYS 27 22.914 32.683 20.115
199 HA LYS 27 HA LYS 27 24.517 34.028 17.992
200 HB2 LYS 27 HB2 LYS 27 22.700 32.726 16.917
201 HB3 LYS 27 HB3 LYS 27 21.516 33.479 17.993
202 HG2 LYS 27 HG2 LYS 27 22.226 35.736 16.992
203 HG3 LYS 27 HG3 LYS 27 23.152 34.824 15.795
204 HD2 LYS 27 HD2 LYS 27 20.155 34.600 16.317
205 HD3 LYS 27 HD3 LYS 27 20.889 35.586 15.053
206 HE2 LYS 27 HE2 LYS 27 21.950 32.917 14.787
207 HE3 LYS 27 HE3 LYS 27 20.202 32.772 15.025
208 HZ1 LYS 27 HZ1 LYS 27 20.650 33.005 12.725
209 HZ2 LYS 27 HZ2 LYS 27 19.943 34.416 13.210
210 HZ3 LYS 27 HZ3 LYS 27 21.563 34.366 12.934
211 H CYS 28 H CYS 28 24.697 36.191 18.342
212 HA CYS 28 HA CYS 28 23.190 37.355 20.605
213 HB2 CYS 28 HB2 CYS 28 25.422 38.689 19.095
214 HB3 CYS 28 HB3 CYS 28 24.789 39.052 20.685
215 H VAL 29 H VAL 29 22.002 39.311 20.484
216 HA VAL 29 HA VAL 29 21.180 40.278 17.804
217 HB VAL 29 HB VAL 29 18.802 40.116 18.324
218 HG11 VAL 29 HG11 VAL 29 19.910 38.317 17.019
219 HG12 VAL 29 HG12 VAL 29 20.089 37.371 18.514
220 HG13 VAL 29 HG13 VAL 29 18.473 37.771 17.898
221 HG21 VAL 29 HG21 VAL 29 19.593 38.484 20.767
222 HG22 VAL 29 HG22 VAL 29 18.802 40.078 20.765
223 HG23 VAL 29 HG23 VAL 29 17.947 38.681 20.123
224 HA PRO 30 HA PRO 30 21.345 44.112 19.894
225 HB2 PRO 30 HB2 PRO 30 19.903 45.804 18.299
226 HB3 PRO 30 HB3 PRO 30 21.470 45.086 17.824
227 HG2 PRO 30 HG2 PRO 30 18.683 44.127 17.110
228 HG3 PRO 30 HG3 PRO 30 20.089 44.358 16.026
229 HD2 PRO 30 HD2 PRO 30 19.445 41.911 17.039
230 HD3 PRO 30 HD3 PRO 30 21.150 42.409 16.811
231 H ALA 31 H ALA 31 20.310 45.661 21.167
232 HA ALA 31 HA ALA 31 17.939 44.771 22.573
233 HB1 ALA 31 HB1 ALA 31 19.623 47.295 22.861
234 HB2 ALA 31 HB2 ALA 31 18.395 46.723 24.007
235 HB3 ALA 31 HB3 ALA 31 19.855 45.761 23.733
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 14.275 22.505 23.801
2 H2 ALA 1 H2 ALA 1 14.366 21.773 22.319
3 H3 ALA 1 H3 ALA 1 15.020 23.265 22.543
4 HA ALA 1 HA ALA 1 15.901 20.791 23.864
5 HB1 ALA 1 HB1 ALA 1 17.979 21.090 22.483
6 HB2 ALA 1 HB2 ALA 1 16.540 20.677 21.536
7 HB3 ALA 1 HB3 ALA 1 17.142 22.354 21.565
8 H PHE 2 H PHE 2 17.715 20.982 25.291
9 HA PHE 2 HA PHE 2 18.011 23.499 26.655
10 HB2 PHE 2 HB2 PHE 2 19.679 20.978 26.743
11 HB3 PHE 2 HB3 PHE 2 19.940 22.365 27.784
12 HD1 PHE 2 HD1 PHE 2 17.835 23.202 29.167
13 HD2 PHE 2 HD2 PHE 2 18.347 19.212 27.613
14 HE1 PHE 2 HE1 PHE 2 16.297 22.325 30.908
15 HE2 PHE 2 HE2 PHE 2 16.819 18.339 29.363
16 HZ PHE 2 HZ PHE 2 15.808 19.887 31.025
17 H CYS 3 H CYS 3 19.675 24.997 26.661
18 HA CYS 3 HA CYS 3 21.803 24.804 24.569
19 HB2 CYS 3 HB2 CYS 3 19.807 26.077 23.727
20 HB3 CYS 3 HB3 CYS 3 20.015 27.207 25.060
21 H ASN 4 H ASN 4 23.704 26.060 24.970
22 HA ASN 4 HA ASN 4 24.369 26.567 27.772
23 HB2 ASN 4 HB2 ASN 4 25.992 27.005 25.242
24 HB3 ASN 4 HB3 ASN 4 26.597 27.077 26.894
25 HD21 ASN 4 HD21 ASN 4 25.669 23.249 26.659
26 HD22 ASN 4 HD22 ASN 4 24.595 24.505 27.243
27 H LEU 5 H LEU 5 22.233 28.211 26.897
28 HA LEU 5 HA LEU 5 22.851 30.715 25.844
29 HB2 LEU 5 HB2 LEU 5 20.640 29.617 26.050
30 HB3 LEU 5 HB3 LEU 5 20.596 29.964 27.767
31 HG LEU 5 HG LEU 5 20.900 32.212 25.761
32 HD11 LEU 5 HD11 LEU 5 18.435 32.413 25.682
33 HD12 LEU 5 HD12 LEU 5 18.994 30.903 24.953
34 HD13 LEU 5 HD13 LEU 5 18.285 30.889 26.582
35 HD21 LEU 5 HD21 LEU 5 19.631 33.496 27.445
36 HD22 LEU 5 HD22 LEU 5 19.417 32.043 28.435
37 HD23 LEU 5 HD23 LEU 5 21.023 32.756 28.238
38 H ARG 6 H ARG 6 22.914 29.740 29.278
39 HA ARG 6 HA ARG 6 23.155 32.370 30.383
40 HB2 ARG 6 HB2 ARG 6 22.390 30.372 31.580
41 HB3 ARG 6 HB3 ARG 6 23.986 29.657 31.510
42 HG2 ARG 6 HG2 ARG 6 23.442 32.330 32.876
43 HG3 ARG 6 HG3 ARG 6 23.182 30.793 33.689
44 HD2 ARG 6 HD2 ARG 6 25.855 31.827 32.678
45 HD3 ARG 6 HD3 ARG 6 25.305 31.722 34.348
46 HE ARG 6 HE ARG 6 25.109 29.102 33.357
47 HH11 ARG 6 HH11 ARG 6 27.750 31.361 33.926
48 HH12 ARG 6 HH12 ARG 6 28.920 30.055 33.994
49 HH21 ARG 6 HH21 ARG 6 26.505 27.596 33.659
50 HH22 ARG 6 HH22 ARG 6 28.202 27.918 34.005
51 H ARG 7 H ARG 7 25.700 30.065 29.368
52 HA ARG 7 HA ARG 7 27.861 31.961 30.042
53 HB2 ARG 7 HB2 ARG 7 27.853 29.379 28.418
54 HB3 ARG 7 HB3 ARG 7 29.292 30.357 28.747
55 HG2 ARG 7 HG2 ARG 7 28.761 30.161 31.224
56 HG3 ARG 7 HG3 ARG 7 27.546 28.948 30.802
57 HD2 ARG 7 HD2 ARG 7 30.547 28.806 30.342
58 HD3 ARG 7 HD3 ARG 7 29.620 27.894 31.515
59 HE ARG 7 HE ARG 7 28.581 26.628 29.743
60 HH11 ARG 7 HH11 ARG 7 31.357 28.515 28.567
61 HH12 ARG 7 HH12 ARG 7 31.573 27.401 27.231
62 HH21 ARG 7 HH21 ARG 7 29.112 25.238 28.090
63 HH22 ARG 7 HH22 ARG 7 30.410 25.678 26.991
64 H CYS 8 H CYS 8 26.050 31.180 27.069
65 HA CYS 8 HA CYS 8 27.614 32.836 25.322
66 HB2 CYS 8 HB2 CYS 8 24.678 32.070 25.212
67 HB3 CYS 8 HB3 CYS 8 25.603 32.784 23.885
68 H GLU 9 H GLU 9 24.752 33.645 27.365
69 HA GLU 9 HA GLU 9 24.441 36.352 26.581
70 HB2 GLU 9 HB2 GLU 9 23.814 34.762 29.090
71 HB3 GLU 9 HB3 GLU 9 23.643 36.516 29.103
72 HG2 GLU 9 HG2 GLU 9 22.221 36.337 27.023
73 HG3 GLU 9 HG3 GLU 9 22.173 34.595 27.272
74 H LEU 10 H LEU 10 26.801 34.974 28.857
75 HA LEU 10 HA LEU 10 27.715 37.503 29.928
76 HB2 LEU 10 HB2 LEU 10 28.020 35.738 31.376
77 HB3 LEU 10 HB3 LEU 10 28.296 34.571 30.102
78 HG LEU 10 HG LEU 10 30.552 35.460 29.743
79 HD11 LEU 10 HD11 LEU 10 31.605 36.855 31.486
80 HD12 LEU 10 HD12 LEU 10 30.245 37.738 30.797
81 HD13 LEU 10 HD13 LEU 10 30.072 36.948 32.373
82 HD21 LEU 10 HD21 LEU 10 29.919 34.472 32.554
83 HD22 LEU 10 HD22 LEU 10 30.167 33.467 31.109
84 HD23 LEU 10 HD23 LEU 10 31.511 34.402 31.766
85 H SER 11 H SER 11 28.834 35.246 27.366
86 HA SER 11 HA SER 11 31.129 36.758 26.545
87 HB2 SER 11 HB2 SER 11 30.812 34.420 25.921
88 HB3 SER 11 HB3 SER 11 29.358 34.827 24.989
89 HG SER 11 HG SER 11 30.608 35.289 23.378
90 H CYS 12 H CYS 12 27.750 36.785 25.323
91 HA CYS 12 HA CYS 12 28.310 38.816 23.346
92 HB2 CYS 12 HB2 CYS 12 25.742 37.605 24.392
93 HB3 CYS 12 HB3 CYS 12 25.817 38.793 23.075
94 H ARG 13 H ARG 13 27.207 39.009 26.740
95 HA ARG 13 HA ARG 13 26.662 41.830 26.742
96 HB2 ARG 13 HB2 ARG 13 26.054 40.379 28.583
97 HB3 ARG 13 HB3 ARG 13 27.736 39.960 28.887
98 HG2 ARG 13 HG2 ARG 13 28.206 42.316 29.569
99 HG3 ARG 13 HG3 ARG 13 26.539 42.747 29.146
100 HD2 ARG 13 HD2 ARG 13 26.645 42.450 31.535
101 HD3 ARG 13 HD3 ARG 13 25.714 41.122 30.816
102 HE ARG 13 HE ARG 13 28.548 40.503 31.208
103 HH11 ARG 13 HH11 ARG 13 25.358 40.299 32.700
104 HH12 ARG 13 HH12 ARG 13 25.901 39.092 33.854
105 HH21 ARG 13 HH21 ARG 13 29.180 39.171 32.892
106 HH22 ARG 13 HH22 ARG 13 27.956 38.375 33.839
107 H SER 14 H SER 14 29.769 40.037 26.939
108 HA SER 14 HA SER 14 31.417 42.388 27.243
109 HB2 SER 14 HB2 SER 14 32.188 39.734 25.967
110 HB3 SER 14 HB3 SER 14 33.284 40.977 26.566
111 HG SER 14 HG SER 14 32.580 40.616 28.643
112 H LEU 15 H LEU 15 29.786 41.071 24.446
113 HA LEU 15 HA LEU 15 31.327 42.803 22.576
114 HB2 LEU 15 HB2 LEU 15 29.276 40.616 22.107
115 HB3 LEU 15 HB3 LEU 15 30.076 41.525 20.830
116 HG LEU 15 HG LEU 15 31.482 39.703 22.834
117 HD11 LEU 15 HD11 LEU 15 30.833 39.274 19.891
118 HD12 LEU 15 HD12 LEU 15 31.758 38.178 20.939
119 HD13 LEU 15 HD13 LEU 15 30.042 38.460 21.262
120 HD21 LEU 15 HD21 LEU 15 33.415 39.901 21.302
121 HD22 LEU 15 HD22 LEU 15 32.534 41.108 20.346
122 HD23 LEU 15 HD23 LEU 15 33.007 41.455 22.031
123 H GLY 16 H GLY 16 28.612 43.105 24.529
124 HA2 GLY 16 HA2 GLY 16 27.274 44.967 24.751
125 HA3 GLY 16 HA3 GLY 16 27.858 45.590 23.217
126 H LEU 17 H LEU 17 26.372 42.364 23.418
127 HA LEU 17 HA LEU 17 23.779 43.416 22.466
128 HB2 LEU 17 HB2 LEU 17 23.664 42.211 20.519
129 HB3 LEU 17 HB3 LEU 17 25.226 42.988 20.453
130 HG LEU 17 HG LEU 17 24.812 40.076 21.258
131 HD11 LEU 17 HD11 LEU 17 25.420 39.499 18.949
132 HD12 LEU 17 HD12 LEU 17 23.949 40.479 18.968
133 HD13 LEU 17 HD13 LEU 17 25.497 41.220 18.522
134 HD21 LEU 17 HD21 LEU 17 27.178 39.826 20.562
135 HD22 LEU 17 HD22 LEU 17 27.262 41.577 20.257
136 HD23 LEU 17 HD23 LEU 17 26.996 40.967 21.901
137 H LEU 18 H LEU 18 22.157 41.514 22.136
138 HA LEU 18 HA LEU 18 21.939 40.326 24.824
139 HB2 LEU 18 HB2 LEU 18 19.941 40.291 22.540
140 HB3 LEU 18 HB3 LEU 18 19.633 39.934 24.237
141 HG LEU 18 HG LEU 18 20.311 42.652 23.032
142 HD11 LEU 18 HD11 LEU 18 18.015 41.868 22.619
143 HD12 LEU 18 HD12 LEU 18 17.784 41.593 24.364
144 HD13 LEU 18 HD13 LEU 18 18.032 43.238 23.738
145 HD21 LEU 18 HD21 LEU 18 19.776 41.908 25.941
146 HD22 LEU 18 HD22 LEU 18 21.290 42.556 25.278
147 HD23 LEU 18 HD23 LEU 18 19.846 43.566 25.302
148 H GLY 19 H GLY 19 21.633 38.112 25.247
149 HA2 GLY 19 HA2 GLY 19 22.731 36.294 23.143
150 HA3 GLY 19 HA3 GLY 19 22.782 35.981 24.860
151 H LYS 20 H LYS 20 21.565 34.720 22.255
152 HA LYS 20 HA LYS 20 19.314 33.443 23.597
153 HB2 LYS 20 HB2 LYS 20 17.654 33.869 21.954
154 HB3 LYS 20 HB3 LYS 20 18.189 35.389 22.626
155 HG2 LYS 20 HG2 LYS 20 19.419 35.960 20.638
156 HG3 LYS 20 HG3 LYS 20 19.249 34.324 19.965
157 HD2 LYS 20 HD2 LYS 20 16.821 36.008 20.628
158 HD3 LYS 20 HD3 LYS 20 17.647 36.158 19.071
159 HE2 LYS 20 HE2 LYS 20 17.262 33.866 18.493
160 HE3 LYS 20 HE3 LYS 20 16.717 33.465 20.129
161 HZ1 LYS 20 HZ1 LYS 20 15.268 35.262 18.262
162 HZ2 LYS 20 HZ2 LYS 20 14.852 33.707 18.676
163 HZ3 LYS 20 HZ3 LYS 20 14.812 34.915 19.792
164 H CYS 21 H CYS 21 18.411 31.663 22.152
165 HA CYS 21 HA CYS 21 20.539 30.486 20.424
166 HB2 CYS 21 HB2 CYS 21 18.627 29.072 22.317
167 HB3 CYS 21 HB3 CYS 21 19.838 28.316 21.291
168 H ILE 22 H ILE 22 19.855 28.948 18.868
169 HA ILE 22 HA ILE 22 16.989 28.932 18.051
170 HB ILE 22 HB ILE 22 19.310 29.075 16.138
171 HG12 ILE 22 HG12 ILE 22 18.760 31.324 17.056
172 HG13 ILE 22 HG13 ILE 22 18.487 31.189 15.329
173 HG21 ILE 22 HG21 ILE 22 16.323 28.745 15.617
174 HG22 ILE 22 HG22 ILE 22 17.529 29.099 14.367
175 HG23 ILE 22 HG23 ILE 22 17.602 27.579 15.251
176 HD11 ILE 22 HD11 ILE 22 16.240 30.977 17.360
177 HD12 ILE 22 HD12 ILE 22 16.727 32.478 16.551
178 HD13 ILE 22 HD13 ILE 22 16.092 31.128 15.599
179 H GLY 23 H GLY 23 16.606 27.106 18.968
180 HA2 GLY 23 HA2 GLY 23 16.503 24.758 19.271
181 HA3 GLY 23 HA3 GLY 23 17.846 24.553 18.141
182 H GLU 24 H GLU 24 19.247 23.364 19.416
183 HA GLU 24 HA GLU 24 19.932 24.099 22.157
184 HB2 GLU 24 HB2 GLU 24 21.393 22.222 22.113
185 HB3 GLU 24 HB3 GLU 24 19.966 21.766 21.181
186 HG2 GLU 24 HG2 GLU 24 21.309 22.475 19.093
187 HG3 GLU 24 HG3 GLU 24 22.726 22.547 20.139
188 H GLU 25 H GLU 25 20.724 25.890 19.519
189 HA GLU 25 HA GLU 25 23.613 26.207 20.269
190 HB2 GLU 25 HB2 GLU 25 23.098 24.966 18.146
191 HB3 GLU 25 HB3 GLU 25 22.406 26.459 17.509
192 HG2 GLU 25 HG2 GLU 25 24.624 27.577 17.812
193 HG3 GLU 25 HG3 GLU 25 25.282 26.058 18.451
194 H CYS 26 H CYS 26 24.418 28.165 20.700
195 HA CYS 26 HA CYS 26 22.676 30.414 21.030
196 HB2 CYS 26 HB2 CYS 26 25.691 30.185 21.177
197 HB3 CYS 26 HB3 CYS 26 24.753 31.578 21.700
198 H LYS 27 H LYS 27 22.350 32.197 19.911
199 HA LYS 27 HA LYS 27 24.066 33.161 17.729
200 HB2 LYS 27 HB2 LYS 27 21.129 32.481 17.207
201 HB3 LYS 27 HB3 LYS 27 22.221 33.339 16.108
202 HG2 LYS 27 HG2 LYS 27 23.661 31.247 16.064
203 HG3 LYS 27 HG3 LYS 27 22.381 30.429 16.977
204 HD2 LYS 27 HD2 LYS 27 20.781 31.042 15.114
205 HD3 LYS 27 HD3 LYS 27 22.182 31.645 14.201
206 HE2 LYS 27 HE2 LYS 27 23.249 29.380 14.490
207 HE3 LYS 27 HE3 LYS 27 21.759 28.800 15.240
208 HZ1 LYS 27 HZ1 LYS 27 21.911 28.285 12.877
209 HZ2 LYS 27 HZ2 LYS 27 20.609 29.288 13.131
210 HZ3 LYS 27 HZ3 LYS 27 21.996 29.878 12.497
211 H CYS 28 H CYS 28 24.402 34.818 19.304
212 HA CYS 28 HA CYS 28 22.412 36.355 20.597
213 HB2 CYS 28 HB2 CYS 28 25.256 37.050 19.783
214 HB3 CYS 28 HB3 CYS 28 24.286 37.979 20.921
215 H VAL 29 H VAL 29 21.805 38.615 20.348
216 HA VAL 29 HA VAL 29 21.595 39.610 17.556
217 HB VAL 29 HB VAL 29 19.179 39.872 17.735
218 HG11 VAL 29 HG11 VAL 29 19.927 36.985 18.276
219 HG12 VAL 29 HG12 VAL 29 18.526 37.594 17.388
220 HG13 VAL 29 HG13 VAL 29 20.146 37.810 16.723
221 HG21 VAL 29 HG21 VAL 29 19.356 38.357 20.366
222 HG22 VAL 29 HG22 VAL 29 18.849 40.044 20.150
223 HG23 VAL 29 HG23 VAL 29 17.865 38.745 19.482
224 HA PRO 30 HA PRO 30 22.167 43.597 19.127
225 HB2 PRO 30 HB2 PRO 30 19.805 44.623 17.564
226 HB3 PRO 30 HB3 PRO 30 21.480 45.254 17.627
227 HG2 PRO 30 HG2 PRO 30 20.684 43.747 15.529
228 HG3 PRO 30 HG3 PRO 30 22.284 43.458 16.285
229 HD2 PRO 30 HD2 PRO 30 19.722 41.911 16.693
230 HD3 PRO 30 HD3 PRO 30 21.386 41.315 16.426
231 H ALA 31 H ALA 31 21.706 45.120 20.629
232 HA ALA 31 HA ALA 31 19.301 44.815 22.333
233 HB1 ALA 31 HB1 ALA 31 21.569 44.766 23.359
234 HB2 ALA 31 HB2 ALA 31 21.881 46.398 22.725
235 HB3 ALA 31 HB3 ALA 31 20.611 46.141 23.936
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 12.666 24.990 27.870
2 H2 ALA 1 H2 ALA 1 13.898 25.682 26.999
3 H3 ALA 1 H3 ALA 1 13.688 26.045 28.589
4 HA ALA 1 HA ALA 1 14.195 23.782 29.214
5 HB1 ALA 1 HB1 ALA 1 13.490 22.723 27.088
6 HB2 ALA 1 HB2 ALA 1 14.883 23.466 26.259
7 HB3 ALA 1 HB3 ALA 1 15.143 22.260 27.527
8 H PHE 2 H PHE 2 16.467 23.077 29.535
9 HA PHE 2 HA PHE 2 18.308 25.293 29.744
10 HB2 PHE 2 HB2 PHE 2 18.788 22.296 29.916
11 HB3 PHE 2 HB3 PHE 2 19.921 23.538 30.414
12 HD1 PHE 2 HD1 PHE 2 17.700 21.224 31.703
13 HD2 PHE 2 HD2 PHE 2 18.715 25.396 32.081
14 HE1 PHE 2 HE1 PHE 2 16.805 21.239 34.020
15 HE2 PHE 2 HE2 PHE 2 17.828 25.405 34.399
16 HZ PHE 2 HZ PHE 2 16.869 23.324 35.371
17 H CYS 3 H CYS 3 19.915 26.010 28.443
18 HA CYS 3 HA CYS 3 20.958 24.434 26.196
19 HB2 CYS 3 HB2 CYS 3 20.321 26.213 24.625
20 HB3 CYS 3 HB3 CYS 3 18.911 25.403 25.306
21 H ASN 4 H ASN 4 22.038 25.661 28.714
22 HA ASN 4 HA ASN 4 23.707 26.878 29.553
23 HB2 ASN 4 HB2 ASN 4 25.019 26.437 26.878
24 HB3 ASN 4 HB3 ASN 4 25.831 26.719 28.424
25 HD21 ASN 4 HD21 ASN 4 24.651 23.223 29.367
26 HD22 ASN 4 HD22 ASN 4 23.951 24.753 29.894
27 H LEU 5 H LEU 5 21.661 28.517 28.129
28 HA LEU 5 HA LEU 5 22.807 30.556 26.598
29 HB2 LEU 5 HB2 LEU 5 20.441 29.972 26.695
30 HB3 LEU 5 HB3 LEU 5 20.309 30.627 28.324
31 HG LEU 5 HG LEU 5 20.591 32.897 27.493
32 HD11 LEU 5 HD11 LEU 5 22.178 32.747 25.721
33 HD12 LEU 5 HD12 LEU 5 21.174 31.597 24.815
34 HD13 LEU 5 HD13 LEU 5 20.683 33.300 24.996
35 HD21 LEU 5 HD21 LEU 5 18.354 31.844 27.324
36 HD22 LEU 5 HD22 LEU 5 18.613 33.083 26.091
37 HD23 LEU 5 HD23 LEU 5 18.725 31.356 25.660
38 H ARG 6 H ARG 6 22.923 30.308 30.097
39 HA ARG 6 HA ARG 6 23.521 33.000 30.828
40 HB2 ARG 6 HB2 ARG 6 23.155 31.217 32.472
41 HB3 ARG 6 HB3 ARG 6 24.507 30.299 31.838
42 HG2 ARG 6 HG2 ARG 6 25.202 31.133 33.895
43 HG3 ARG 6 HG3 ARG 6 26.090 32.060 32.702
44 HD2 ARG 6 HD2 ARG 6 23.595 33.006 34.189
45 HD3 ARG 6 HD3 ARG 6 25.249 33.357 34.682
46 HE ARG 6 HE ARG 6 23.919 34.354 32.188
47 HH11 ARG 6 HH11 ARG 6 26.529 34.971 34.581
48 HH12 ARG 6 HH12 ARG 6 26.847 36.483 33.754
49 HH21 ARG 6 HH21 ARG 6 24.312 36.320 31.567
50 HH22 ARG 6 HH22 ARG 6 25.695 37.231 32.235
51 H ARG 7 H ARG 7 25.657 30.469 29.603
52 HA ARG 7 HA ARG 7 28.059 32.141 29.548
53 HB2 ARG 7 HB2 ARG 7 27.435 29.410 28.317
54 HB3 ARG 7 HB3 ARG 7 29.007 30.198 28.236
55 HG2 ARG 7 HG2 ARG 7 27.612 29.202 30.751
56 HG3 ARG 7 HG3 ARG 7 29.082 28.587 29.992
57 HD2 ARG 7 HD2 ARG 7 29.870 31.153 30.364
58 HD3 ARG 7 HD3 ARG 7 28.646 31.075 31.635
59 HE ARG 7 HE ARG 7 30.078 29.779 32.889
60 HH11 ARG 7 HH11 ARG 7 31.366 29.869 29.595
61 HH12 ARG 7 HH12 ARG 7 32.764 28.950 30.026
62 HH21 ARG 7 HH21 ARG 7 32.207 29.115 33.361
63 HH22 ARG 7 HH22 ARG 7 33.206 28.531 32.063
64 H CYS 8 H CYS 8 25.646 31.246 27.124
65 HA CYS 8 HA CYS 8 27.056 32.499 24.914
66 HB2 CYS 8 HB2 CYS 8 25.284 30.890 24.534
67 HB3 CYS 8 HB3 CYS 8 24.123 31.906 25.378
68 H GLU 9 H GLU 9 24.510 33.691 27.156
69 HA GLU 9 HA GLU 9 24.331 36.367 26.241
70 HB2 GLU 9 HB2 GLU 9 23.845 34.986 28.886
71 HB3 GLU 9 HB3 GLU 9 23.679 36.726 28.763
72 HG2 GLU 9 HG2 GLU 9 22.227 35.068 26.704
73 HG3 GLU 9 HG3 GLU 9 21.635 35.043 28.364
74 H LEU 10 H LEU 10 26.492 35.079 28.898
75 HA LEU 10 HA LEU 10 27.544 37.713 29.352
76 HB2 LEU 10 HB2 LEU 10 28.890 36.827 30.989
77 HB3 LEU 10 HB3 LEU 10 27.457 35.837 30.981
78 HG LEU 10 HG LEU 10 28.920 34.221 29.496
79 HD11 LEU 10 HD11 LEU 10 31.294 34.215 30.173
80 HD12 LEU 10 HD12 LEU 10 30.936 35.714 29.318
81 HD13 LEU 10 HD13 LEU 10 31.058 35.718 31.084
82 HD21 LEU 10 HD21 LEU 10 29.279 34.643 32.495
83 HD22 LEU 10 HD22 LEU 10 28.045 33.642 31.705
84 HD23 LEU 10 HD23 LEU 10 29.759 33.173 31.639
85 H SER 11 H SER 11 28.634 35.106 27.228
86 HA SER 11 HA SER 11 31.111 36.321 26.402
87 HB2 SER 11 HB2 SER 11 29.259 34.499 24.803
88 HB3 SER 11 HB3 SER 11 30.963 34.850 24.458
89 HG SER 11 HG SER 11 29.815 33.355 26.564
90 H CYS 12 H CYS 12 27.742 36.689 25.250
91 HA CYS 12 HA CYS 12 28.543 38.562 23.128
92 HB2 CYS 12 HB2 CYS 12 25.901 37.497 24.149
93 HB3 CYS 12 HB3 CYS 12 26.008 38.758 22.923
94 H ARG 13 H ARG 13 27.163 38.904 26.417
95 HA ARG 13 HA ARG 13 26.727 41.726 26.237
96 HB2 ARG 13 HB2 ARG 13 25.867 39.960 27.943
97 HB3 ARG 13 HB3 ARG 13 27.348 40.284 28.841
98 HG2 ARG 13 HG2 ARG 13 26.733 42.632 29.097
99 HG3 ARG 13 HG3 ARG 13 25.409 42.475 27.934
100 HD2 ARG 13 HD2 ARG 13 25.529 41.139 30.666
101 HD3 ARG 13 HD3 ARG 13 24.569 42.563 30.220
102 HE ARG 13 HE ARG 13 23.883 40.503 28.410
103 HH11 ARG 13 HH11 ARG 13 23.241 41.273 31.767
104 HH12 ARG 13 HH12 ARG 13 22.042 40.012 31.900
105 HH21 ARG 13 HH21 ARG 13 22.229 39.018 28.622
106 HH22 ARG 13 HH22 ARG 13 21.505 38.800 30.206
107 H SER 14 H SER 14 29.623 39.859 27.017
108 HA SER 14 HA SER 14 31.363 41.997 27.795
109 HB2 SER 14 HB2 SER 14 32.048 39.532 26.153
110 HB3 SER 14 HB3 SER 14 33.177 40.561 27.045
111 HG SER 14 HG SER 14 31.094 38.928 28.126
112 H LEU 15 H LEU 15 30.045 41.140 24.646
113 HA LEU 15 HA LEU 15 31.612 43.265 23.269
114 HB2 LEU 15 HB2 LEU 15 29.942 41.001 22.126
115 HB3 LEU 15 HB3 LEU 15 30.928 42.133 21.207
116 HG LEU 15 HG LEU 15 31.975 40.047 23.181
117 HD11 LEU 15 HD11 LEU 15 31.071 39.080 21.105
118 HD12 LEU 15 HD12 LEU 15 32.110 40.158 20.143
119 HD13 LEU 15 HD13 LEU 15 32.830 38.916 21.190
120 HD21 LEU 15 HD21 LEU 15 33.497 41.974 23.116
121 HD22 LEU 15 HD22 LEU 15 34.206 40.610 22.250
122 HD23 LEU 15 HD23 LEU 15 33.485 41.951 21.336
123 H GLY 16 H GLY 16 28.853 43.219 24.982
124 HA2 GLY 16 HA2 GLY 16 27.230 44.811 25.166
125 HA3 GLY 16 HA3 GLY 16 27.856 45.608 23.727
126 H LEU 17 H LEU 17 26.574 42.231 23.645
127 HA LEU 17 HA LEU 17 23.997 43.254 22.610
128 HB2 LEU 17 HB2 LEU 17 24.019 42.087 20.595
129 HB3 LEU 17 HB3 LEU 17 25.445 43.088 20.636
130 HG LEU 17 HG LEU 17 25.576 40.135 21.342
131 HD11 LEU 17 HD11 LEU 17 25.850 41.368 18.579
132 HD12 LEU 17 HD12 LEU 17 26.138 39.671 18.990
133 HD13 LEU 17 HD13 LEU 17 24.503 40.354 19.111
134 HD21 LEU 17 HD21 LEU 17 27.636 41.967 20.038
135 HD22 LEU 17 HD22 LEU 17 27.605 41.591 21.763
136 HD23 LEU 17 HD23 LEU 17 27.881 40.297 20.589
137 H LEU 18 H LEU 18 22.317 41.623 22.260
138 HA LEU 18 HA LEU 18 22.072 40.084 24.747
139 HB2 LEU 18 HB2 LEU 18 20.377 41.746 23.901
140 HB3 LEU 18 HB3 LEU 18 20.069 40.631 22.566
141 HG LEU 18 HG LEU 18 19.356 38.896 24.267
142 HD11 LEU 18 HD11 LEU 18 19.457 41.293 26.158
143 HD12 LEU 18 HD12 LEU 18 18.723 39.718 26.517
144 HD13 LEU 18 HD13 LEU 18 20.466 39.836 26.285
145 HD21 LEU 18 HD21 LEU 18 17.824 41.525 24.268
146 HD22 LEU 18 HD22 LEU 18 17.735 40.263 23.015
147 HD23 LEU 18 HD23 LEU 18 17.169 39.917 24.655
148 H GLY 19 H GLY 19 21.575 37.894 24.895
149 HA2 GLY 19 HA2 GLY 19 22.316 36.230 22.510
150 HA3 GLY 19 HA3 GLY 19 22.441 35.728 24.183
151 H LYS 20 H LYS 20 21.083 34.598 21.697
152 HA LYS 20 HA LYS 20 18.656 33.616 23.144
153 HB2 LYS 20 HB2 LYS 20 18.849 34.403 20.201
154 HB3 LYS 20 HB3 LYS 20 17.584 33.369 20.866
155 HG2 LYS 20 HG2 LYS 20 16.837 35.201 22.353
156 HG3 LYS 20 HG3 LYS 20 18.073 36.271 21.654
157 HD2 LYS 20 HD2 LYS 20 17.058 36.041 19.418
158 HD3 LYS 20 HD3 LYS 20 15.871 34.881 20.049
159 HE2 LYS 20 HE2 LYS 20 14.975 36.619 21.568
160 HE3 LYS 20 HE3 LYS 20 16.144 37.783 20.932
161 HZ1 LYS 20 HZ1 LYS 20 14.099 36.432 19.228
162 HZ2 LYS 20 HZ2 LYS 20 13.890 37.914 19.891
163 HZ3 LYS 20 HZ3 LYS 20 15.067 37.639 18.768
164 H CYS 21 H CYS 21 19.029 31.468 23.532
165 HA CYS 21 HA CYS 21 20.773 29.896 21.783
166 HB2 CYS 21 HB2 CYS 21 20.387 28.073 23.155
167 HB3 CYS 21 HB3 CYS 21 20.559 29.455 24.209
168 H ILE 22 H ILE 22 20.240 28.787 20.004
169 HA ILE 22 HA ILE 22 17.459 29.172 18.968
170 HB ILE 22 HB ILE 22 20.034 28.635 17.465
171 HG12 ILE 22 HG12 ILE 22 20.318 30.789 18.491
172 HG13 ILE 22 HG13 ILE 22 20.038 30.985 16.779
173 HG21 ILE 22 HG21 ILE 22 17.281 29.455 16.470
174 HG22 ILE 22 HG22 ILE 22 18.762 29.482 15.485
175 HG23 ILE 22 HG23 ILE 22 18.163 27.953 16.119
176 HD11 ILE 22 HD11 ILE 22 17.960 31.469 18.961
177 HD12 ILE 22 HD12 ILE 22 18.853 32.703 18.061
178 HD13 ILE 22 HD13 ILE 22 17.687 31.674 17.214
179 H GLY 23 H GLY 23 19.899 26.722 19.567
180 HA2 GLY 23 HA2 GLY 23 18.344 24.397 19.522
181 HA3 GLY 23 HA3 GLY 23 18.837 24.680 17.843
182 H GLU 24 H GLU 24 20.826 24.006 17.244
183 HA GLU 24 HA GLU 24 22.530 22.510 19.081
184 HB2 GLU 24 HB2 GLU 24 22.017 21.833 16.731
185 HB3 GLU 24 HB3 GLU 24 22.838 23.274 16.148
186 HG2 GLU 24 HG2 GLU 24 24.273 21.333 15.917
187 HG3 GLU 24 HG3 GLU 24 24.979 22.471 17.047
188 H GLU 25 H GLU 25 22.568 25.745 17.705
189 HA GLU 25 HA GLU 25 24.951 26.487 19.303
190 HB2 GLU 25 HB2 GLU 25 24.649 26.685 16.301
191 HB3 GLU 25 HB3 GLU 25 25.451 27.995 17.139
192 HG2 GLU 25 HG2 GLU 25 26.325 25.089 17.286
193 HG3 GLU 25 HG3 GLU 25 27.030 26.314 16.234
194 H CYS 26 H CYS 26 24.805 28.429 20.258
195 HA CYS 26 HA CYS 26 22.298 29.924 20.141
196 HB2 CYS 26 HB2 CYS 26 23.480 29.316 22.238
197 HB3 CYS 26 HB3 CYS 26 24.848 30.299 21.742
198 H LYS 27 H LYS 27 22.086 32.153 19.706
199 HA LYS 27 HA LYS 27 24.234 33.498 18.125
200 HB2 LYS 27 HB2 LYS 27 21.317 33.228 17.303
201 HB3 LYS 27 HB3 LYS 27 22.486 34.326 16.559
202 HG2 LYS 27 HG2 LYS 27 23.923 32.357 15.964
203 HG3 LYS 27 HG3 LYS 27 22.645 31.280 16.568
204 HD2 LYS 27 HD2 LYS 27 21.048 32.305 14.959
205 HD3 LYS 27 HD3 LYS 27 22.346 33.337 14.328
206 HE2 LYS 27 HE2 LYS 27 23.615 31.337 13.622
207 HE3 LYS 27 HE3 LYS 27 22.367 30.287 14.313
208 HZ1 LYS 27 HZ1 LYS 27 20.770 31.322 12.756
209 HZ2 LYS 27 HZ2 LYS 27 21.960 32.201 12.068
210 HZ3 LYS 27 HZ3 LYS 27 21.991 30.586 11.920
211 H CYS 28 H CYS 28 23.891 35.834 17.920
212 HA CYS 28 HA CYS 28 22.378 36.965 20.215
213 HB2 CYS 28 HB2 CYS 28 25.273 37.485 19.486
214 HB3 CYS 28 HB3 CYS 28 24.360 38.365 20.718
215 H VAL 29 H VAL 29 21.858 39.175 20.150
216 HA VAL 29 HA VAL 29 21.657 40.455 17.480
217 HB VAL 29 HB VAL 29 19.180 40.677 17.800
218 HG11 VAL 29 HG11 VAL 29 20.119 38.957 16.291
219 HG12 VAL 29 HG12 VAL 29 20.076 37.779 17.620
220 HG13 VAL 29 HG13 VAL 29 18.571 38.482 17.006
221 HG21 VAL 29 HG21 VAL 29 17.964 39.208 19.304
222 HG22 VAL 29 HG22 VAL 29 19.474 38.545 19.951
223 HG23 VAL 29 HG23 VAL 29 19.053 40.241 20.251
224 HA PRO 30 HA PRO 30 22.042 44.216 19.572
225 HB2 PRO 30 HB2 PRO 30 19.671 45.381 18.116
226 HB3 PRO 30 HB3 PRO 30 21.333 46.031 18.274
227 HG2 PRO 30 HG2 PRO 30 20.592 44.792 15.987
228 HG3 PRO 30 HG3 PRO 30 22.186 44.401 16.718
229 HD2 PRO 30 HD2 PRO 30 19.575 42.876 16.987
230 HD3 PRO 30 HD3 PRO 30 21.193 42.258 16.556
231 H ALA 31 H ALA 31 21.520 45.344 21.396
232 HA ALA 31 HA ALA 31 19.113 44.474 22.896
233 HB1 ALA 31 HB1 ALA 31 20.417 45.040 24.839
234 HB2 ALA 31 HB2 ALA 31 21.456 44.136 23.736
235 HB3 ALA 31 HB3 ALA 31 21.614 45.902 23.850
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 19.276 19.447 24.747
2 H2 ALA 1 H2 ALA 1 18.208 19.659 25.979
3 H3 ALA 1 H3 ALA 1 18.941 18.204 25.772
4 HA ALA 1 HA ALA 1 19.953 19.370 27.607
5 HB1 ALA 1 HB1 ALA 1 21.387 17.890 26.213
6 HB2 ALA 1 HB2 ALA 1 21.790 19.289 25.179
7 HB3 ALA 1 HB3 ALA 1 22.280 19.273 26.886
8 H PHE 2 H PHE 2 21.165 21.249 28.361
9 HA PHE 2 HA PHE 2 20.099 23.742 27.433
10 HB2 PHE 2 HB2 PHE 2 22.462 23.121 29.227
11 HB3 PHE 2 HB3 PHE 2 21.844 24.734 28.950
12 HD1 PHE 2 HD1 PHE 2 21.611 21.923 31.106
13 HD2 PHE 2 HD2 PHE 2 19.252 25.093 29.368
14 HE1 PHE 2 HE1 PHE 2 19.935 21.675 32.929
15 HE2 PHE 2 HE2 PHE 2 17.571 24.838 31.179
16 HZ PHE 2 HZ PHE 2 17.921 23.142 32.965
17 H CYS 3 H CYS 3 20.828 25.329 26.125
18 HA CYS 3 HA CYS 3 22.804 24.673 24.116
19 HB2 CYS 3 HB2 CYS 3 21.374 27.315 24.497
20 HB3 CYS 3 HB3 CYS 3 22.035 26.647 23.012
21 H ASN 4 H ASN 4 23.642 25.396 26.968
22 HA ASN 4 HA ASN 4 25.101 26.600 28.174
23 HB2 ASN 4 HB2 ASN 4 26.555 26.590 25.534
24 HB3 ASN 4 HB3 ASN 4 27.225 27.388 26.950
25 HD21 ASN 4 HD21 ASN 4 26.910 23.337 27.065
26 HD22 ASN 4 HD22 ASN 4 26.110 24.212 25.756
27 H LEU 5 H LEU 5 22.758 28.062 27.267
28 HA LEU 5 HA LEU 5 23.317 30.488 26.009
29 HB2 LEU 5 HB2 LEU 5 21.143 29.437 26.205
30 HB3 LEU 5 HB3 LEU 5 21.041 29.854 27.918
31 HG LEU 5 HG LEU 5 21.501 32.061 25.928
32 HD11 LEU 5 HD11 LEU 5 19.748 30.712 24.880
33 HD12 LEU 5 HD12 LEU 5 18.795 30.766 26.378
34 HD13 LEU 5 HD13 LEU 5 19.114 32.258 25.463
35 HD21 LEU 5 HD21 LEU 5 19.699 31.876 28.388
36 HD22 LEU 5 HD22 LEU 5 21.325 32.583 28.390
37 HD23 LEU 5 HD23 LEU 5 20.041 33.334 27.435
38 H ARG 6 H ARG 6 23.685 29.842 29.493
39 HA ARG 6 HA ARG 6 23.970 32.608 30.307
40 HB2 ARG 6 HB2 ARG 6 23.571 30.702 31.866
41 HB3 ARG 6 HB3 ARG 6 25.178 30.077 31.480
42 HG2 ARG 6 HG2 ARG 6 26.111 32.331 32.369
43 HG3 ARG 6 HG3 ARG 6 24.469 32.688 32.903
44 HD2 ARG 6 HD2 ARG 6 25.817 31.805 34.749
45 HD3 ARG 6 HD3 ARG 6 24.493 30.698 34.354
46 HE ARG 6 HE ARG 6 26.012 29.139 33.468
47 HH11 ARG 6 HH11 ARG 6 27.985 32.002 34.259
48 HH12 ARG 6 HH12 ARG 6 29.438 31.078 33.907
49 HH21 ARG 6 HH21 ARG 6 27.741 28.208 33.025
50 HH22 ARG 6 HH22 ARG 6 29.319 28.985 33.143
51 H ARG 7 H ARG 7 26.376 30.230 29.151
52 HA ARG 7 HA ARG 7 28.707 31.957 29.473
53 HB2 ARG 7 HB2 ARG 7 28.175 29.515 27.724
54 HB3 ARG 7 HB3 ARG 7 29.713 30.364 27.757
55 HG2 ARG 7 HG2 ARG 7 30.052 29.816 30.105
56 HG3 ARG 7 HG3 ARG 7 28.461 29.030 30.192
57 HD2 ARG 7 HD2 ARG 7 29.114 27.365 28.549
58 HD3 ARG 7 HD3 ARG 7 30.646 28.195 28.234
59 HE ARG 7 HE ARG 7 30.937 27.668 30.868
60 HH11 ARG 7 HH11 ARG 7 29.584 25.382 28.560
61 HH12 ARG 7 HH12 ARG 7 30.574 24.076 29.183
62 HH21 ARG 7 HH21 ARG 7 32.287 25.965 31.424
63 HH22 ARG 7 HH22 ARG 7 31.959 24.373 30.788
64 H CYS 8 H CYS 8 26.475 31.215 26.844
65 HA CYS 8 HA CYS 8 27.531 32.863 24.790
66 HB2 CYS 8 HB2 CYS 8 25.864 31.044 24.588
67 HB3 CYS 8 HB3 CYS 8 24.715 32.005 25.486
68 H GLU 9 H GLU 9 24.912 33.662 27.178
69 HA GLU 9 HA GLU 9 24.629 36.389 26.416
70 HB2 GLU 9 HB2 GLU 9 23.797 34.684 28.734
71 HB3 GLU 9 HB3 GLU 9 23.826 36.414 29.020
72 HG2 GLU 9 HG2 GLU 9 22.423 35.358 26.550
73 HG3 GLU 9 HG3 GLU 9 21.645 35.281 28.121
74 H LEU 10 H LEU 10 26.738 35.019 29.069
75 HA LEU 10 HA LEU 10 27.484 37.668 29.900
76 HB2 LEU 10 HB2 LEU 10 28.884 36.711 31.463
77 HB3 LEU 10 HB3 LEU 10 27.586 35.570 31.262
78 HG LEU 10 HG LEU 10 29.285 34.414 29.553
79 HD11 LEU 10 HD11 LEU 10 31.087 36.155 29.798
80 HD12 LEU 10 HD12 LEU 10 31.152 35.820 31.538
81 HD13 LEU 10 HD13 LEU 10 31.613 34.576 30.356
82 HD21 LEU 10 HD21 LEU 10 28.375 33.361 31.586
83 HD22 LEU 10 HD22 LEU 10 30.103 33.006 31.411
84 HD23 LEU 10 HD23 LEU 10 29.560 34.225 32.586
85 H SER 11 H SER 11 28.867 35.510 27.498
86 HA SER 11 HA SER 11 31.161 37.118 26.791
87 HB2 SER 11 HB2 SER 11 29.489 35.327 24.976
88 HB3 SER 11 HB3 SER 11 31.146 35.882 24.708
89 HG SER 11 HG SER 11 30.155 34.044 26.633
90 H CYS 12 H CYS 12 27.760 37.041 25.590
91 HA CYS 12 HA CYS 12 28.319 39.120 23.643
92 HB2 CYS 12 HB2 CYS 12 25.785 37.690 24.451
93 HB3 CYS 12 HB3 CYS 12 25.881 38.906 23.158
94 H ARG 13 H ARG 13 26.869 39.231 26.909
95 HA ARG 13 HA ARG 13 26.125 42.003 26.948
96 HB2 ARG 13 HB2 ARG 13 27.189 40.037 29.022
97 HB3 ARG 13 HB3 ARG 13 26.661 41.664 29.432
98 HG2 ARG 13 HG2 ARG 13 24.395 41.227 28.828
99 HG3 ARG 13 HG3 ARG 13 24.821 39.721 28.003
100 HD2 ARG 13 HD2 ARG 13 25.588 38.788 30.202
101 HD3 ARG 13 HD3 ARG 13 24.962 40.251 30.984
102 HE ARG 13 HE ARG 13 22.956 38.978 29.312
103 HH11 ARG 13 HH11 ARG 13 24.474 38.551 32.477
104 HH12 ARG 13 HH12 ARG 13 22.972 37.928 33.149
105 HH21 ARG 13 HH21 ARG 13 21.328 37.870 30.131
106 HH22 ARG 13 HH22 ARG 13 21.281 37.447 31.854
107 H SER 14 H SER 14 29.232 40.345 27.523
108 HA SER 14 HA SER 14 30.764 42.738 28.024
109 HB2 SER 14 HB2 SER 14 31.776 40.068 26.963
110 HB3 SER 14 HB3 SER 14 32.717 41.343 27.751
111 HG SER 14 HG SER 14 30.783 39.586 28.856
112 H LEU 15 H LEU 15 29.614 41.332 25.027
113 HA LEU 15 HA LEU 15 31.321 43.112 23.371
114 HB2 LEU 15 HB2 LEU 15 29.421 40.837 22.801
115 HB3 LEU 15 HB3 LEU 15 30.045 41.856 21.507
116 HG LEU 15 HG LEU 15 31.879 40.368 23.409
117 HD11 LEU 15 HD11 LEU 15 30.410 38.713 22.352
118 HD12 LEU 15 HD12 LEU 15 30.732 39.419 20.748
119 HD13 LEU 15 HD13 LEU 15 32.033 38.620 21.659
120 HD21 LEU 15 HD21 LEU 15 32.858 42.208 21.991
121 HD22 LEU 15 HD22 LEU 15 33.491 40.613 21.577
122 HD23 LEU 15 HD23 LEU 15 32.258 41.370 20.547
123 H GLY 16 H GLY 16 28.178 43.171 24.807
124 HA2 GLY 16 HA2 GLY 16 26.821 45.082 24.910
125 HA3 GLY 16 HA3 GLY 16 27.533 45.722 23.433
126 H LEU 17 H LEU 17 26.252 42.388 23.552
127 HA LEU 17 HA LEU 17 23.743 43.222 22.237
128 HB2 LEU 17 HB2 LEU 17 24.037 42.109 20.250
129 HB3 LEU 17 HB3 LEU 17 25.502 43.025 20.456
130 HG LEU 17 HG LEU 17 25.310 40.064 21.105
131 HD11 LEU 17 HD11 LEU 17 24.747 40.444 18.718
132 HD12 LEU 17 HD12 LEU 17 26.228 41.393 18.519
133 HD13 LEU 17 HD13 LEU 17 26.322 39.659 18.885
134 HD21 LEU 17 HD21 LEU 17 27.685 41.860 20.473
135 HD22 LEU 17 HD22 LEU 17 27.265 41.190 22.064
136 HD23 LEU 17 HD23 LEU 17 27.756 40.104 20.761
137 H LEU 18 H LEU 18 22.335 41.203 21.641
138 HA LEU 18 HA LEU 18 21.935 39.900 24.271
139 HB2 LEU 18 HB2 LEU 18 20.058 40.010 21.901
140 HB3 LEU 18 HB3 LEU 18 19.681 39.527 23.554
141 HG LEU 18 HG LEU 18 20.368 42.312 22.559
142 HD11 LEU 18 HD11 LEU 18 18.076 42.845 23.290
143 HD12 LEU 18 HD12 LEU 18 18.066 41.528 22.104
144 HD13 LEU 18 HD13 LEU 18 17.844 41.163 23.827
145 HD21 LEU 18 HD21 LEU 18 21.326 42.104 24.797
146 HD22 LEU 18 HD22 LEU 18 19.859 43.080 24.865
147 HD23 LEU 18 HD23 LEU 18 19.815 41.386 25.407
148 H GLY 19 H GLY 19 22.019 37.761 24.661
149 HA2 GLY 19 HA2 GLY 19 22.686 35.870 22.478
150 HA3 GLY 19 HA3 GLY 19 22.642 35.521 24.198
151 H LYS 20 H LYS 20 21.470 34.130 21.840
152 HA LYS 20 HA LYS 20 18.895 33.443 23.100
153 HB2 LYS 20 HB2 LYS 20 17.610 33.599 21.030
154 HB3 LYS 20 HB3 LYS 20 18.173 35.163 21.601
155 HG2 LYS 20 HG2 LYS 20 20.066 35.042 19.921
156 HG3 LYS 20 HG3 LYS 20 19.334 33.570 19.263
157 HD2 LYS 20 HD2 LYS 20 17.927 36.255 19.487
158 HD3 LYS 20 HD3 LYS 20 18.810 35.706 18.051
159 HE2 LYS 20 HE2 LYS 20 17.284 33.700 17.945
160 HE3 LYS 20 HE3 LYS 20 16.336 34.411 19.266
161 HZ1 LYS 20 HZ1 LYS 20 15.410 34.979 17.081
162 HZ2 LYS 20 HZ2 LYS 20 15.920 36.339 17.828
163 HZ3 LYS 20 HZ3 LYS 20 16.813 35.660 16.618
164 H CYS 21 H CYS 21 18.409 31.274 22.899
165 HA CYS 21 HA CYS 21 20.255 29.590 21.274
166 HB2 CYS 21 HB2 CYS 21 19.740 28.774 23.504
167 HB3 CYS 21 HB3 CYS 21 18.026 28.662 23.089
168 H ILE 22 H ILE 22 19.886 29.177 19.250
169 HA ILE 22 HA ILE 22 17.295 29.891 18.025
170 HB ILE 22 HB ILE 22 19.911 28.975 16.778
171 HG12 ILE 22 HG12 ILE 22 18.673 31.734 17.178
172 HG13 ILE 22 HG13 ILE 22 20.157 31.132 17.927
173 HG21 ILE 22 HG21 ILE 22 18.967 29.711 14.642
174 HG22 ILE 22 HG22 ILE 22 17.913 28.499 15.340
175 HG23 ILE 22 HG23 ILE 22 17.465 30.211 15.450
176 HD11 ILE 22 HD11 ILE 22 21.210 31.009 15.654
177 HD12 ILE 22 HD12 ILE 22 19.760 31.800 14.982
178 HD13 ILE 22 HD13 ILE 22 20.750 32.647 16.165
179 H GLY 23 H GLY 23 19.138 26.945 18.702
180 HA2 GLY 23 HA2 GLY 23 16.951 25.225 18.907
181 HA3 GLY 23 HA3 GLY 23 17.470 25.098 17.225
182 H GLU 24 H GLU 24 19.942 24.771 16.959
183 HA GLU 24 HA GLU 24 20.799 22.475 18.630
184 HB2 GLU 24 HB2 GLU 24 21.733 23.827 16.101
185 HB3 GLU 24 HB3 GLU 24 22.937 22.969 17.041
186 HG2 GLU 24 HG2 GLU 24 21.948 21.598 15.238
187 HG3 GLU 24 HG3 GLU 24 21.842 20.884 16.838
188 H GLU 25 H GLU 25 21.443 25.909 18.559
189 HA GLU 25 HA GLU 25 23.425 25.751 20.727
190 HB2 GLU 25 HB2 GLU 25 25.209 26.754 19.388
191 HB3 GLU 25 HB3 GLU 25 24.703 25.212 18.706
192 HG2 GLU 25 HG2 GLU 25 23.146 26.761 17.181
193 HG3 GLU 25 HG3 GLU 25 24.306 27.999 17.631
194 H CYS 26 H CYS 26 24.274 27.937 21.292
195 HA CYS 26 HA CYS 26 22.202 30.037 20.990
196 HB2 CYS 26 HB2 CYS 26 22.721 29.352 23.274
197 HB3 CYS 26 HB3 CYS 26 24.415 29.774 23.038
198 H LYS 27 H LYS 27 22.536 31.877 20.083
199 HA LYS 27 HA LYS 27 25.211 32.801 19.154
200 HB2 LYS 27 HB2 LYS 27 22.679 32.676 17.453
201 HB3 LYS 27 HB3 LYS 27 24.186 33.437 16.961
202 HG2 LYS 27 HG2 LYS 27 23.852 30.459 17.492
203 HG3 LYS 27 HG3 LYS 27 23.776 31.247 15.915
204 HD2 LYS 27 HD2 LYS 27 26.106 32.053 16.180
205 HD3 LYS 27 HD3 LYS 27 26.222 31.219 17.750
206 HE2 LYS 27 HE2 LYS 27 25.737 29.073 16.671
207 HE3 LYS 27 HE3 LYS 27 25.498 29.881 15.107
208 HZ1 LYS 27 HZ1 LYS 27 28.053 29.790 16.606
209 HZ2 LYS 27 HZ2 LYS 27 27.695 28.874 15.301
210 HZ3 LYS 27 HZ3 LYS 27 27.828 30.512 15.135
211 H CYS 28 H CYS 28 25.014 35.156 18.457
212 HA CYS 28 HA CYS 28 22.986 36.519 20.159
213 HB2 CYS 28 HB2 CYS 28 25.894 37.251 19.784
214 HB3 CYS 28 HB3 CYS 28 24.710 38.088 20.796
215 H VAL 29 H VAL 29 22.394 38.633 19.740
216 HA VAL 29 HA VAL 29 22.721 39.705 16.998
217 HB VAL 29 HB VAL 29 20.199 40.007 16.896
218 HG11 VAL 29 HG11 VAL 29 21.462 38.368 15.515
219 HG12 VAL 29 HG12 VAL 29 21.154 37.124 16.753
220 HG13 VAL 29 HG13 VAL 29 19.807 37.872 15.876
221 HG21 VAL 29 HG21 VAL 29 18.768 38.462 18.104
222 HG22 VAL 29 HG22 VAL 29 20.155 37.732 18.935
223 HG23 VAL 29 HG23 VAL 29 19.694 39.403 19.282
224 HA PRO 30 HA PRO 30 22.550 43.601 19.117
225 HB2 PRO 30 HB2 PRO 30 20.974 44.628 16.757
226 HB3 PRO 30 HB3 PRO 30 22.410 45.339 17.552
227 HG2 PRO 30 HG2 PRO 30 22.697 44.016 15.226
228 HG3 PRO 30 HG3 PRO 30 23.866 43.722 16.551
229 HD2 PRO 30 HD2 PRO 30 21.442 42.054 15.781
230 HD3 PRO 30 HD3 PRO 30 23.120 41.533 16.122
231 H ALA 31 H ALA 31 21.243 44.852 20.407
232 HA ALA 31 HA ALA 31 18.444 44.084 20.903
233 HB1 ALA 31 HB1 ALA 31 18.650 45.666 22.766
234 HB2 ALA 31 HB2 ALA 31 20.064 44.601 22.765
235 HB3 ALA 31 HB3 ALA 31 20.203 46.257 22.148