NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22792 |
2jr3   |
15318 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1H ASP 1 3.282 -0.796 -1.023
2 HA ASP 1 HA ASP 1 2.029 0.190 0.614
3 HB2 ASP 1 1HB ASP 1 3.663 -1.260 2.107
4 HB3 ASP 1 2HB ASP 1 4.328 0.318 2.518
5 H ASP 2 H ASP 2 2.920 1.796 -1.275
6 HA ASP 2 HA ASP 2 3.310 3.973 -1.809
7 HB2 ASP 2 1HB ASP 2 1.672 4.277 0.112
8 HB3 ASP 2 2HB ASP 2 3.071 4.588 1.136
9 H THR 3 H THR 3 5.524 3.015 -2.180
10 HA THR 3 HA THR 3 7.654 3.258 -0.424
11 HB THR 3 HB THR 3 8.909 3.771 -2.756
12 HG1 THR 3 HG1 THR 3 7.446 3.763 -4.289
13 HG21 THR 3 3HG2 THR 3 7.994 1.015 -2.734
14 HG22 THR 3 1HG2 THR 3 8.470 1.569 -1.130
15 HG23 THR 3 2HG2 THR 3 9.611 1.666 -2.472
16 HA PRO 4 HA PRO 4 8.603 7.522 -0.011
17 HB2 PRO 4 1HB PRO 4 11.318 7.514 -0.046
18 HB3 PRO 4 2HB PRO 4 10.373 6.899 1.315
19 HG2 PRO 4 1HG PRO 4 11.683 5.392 -0.915
20 HG3 PRO 4 2HG PRO 4 11.639 5.013 0.817
21 HD2 PRO 4 1HD PRO 4 10.018 3.800 -0.981
22 HD3 PRO 4 2HD PRO 4 9.522 4.112 0.695
23 H SER 5 H SER 5 10.381 9.181 -0.968
24 HA SER 5 HA SER 5 9.720 9.383 -3.762
25 HB2 SER 5 1HB SER 5 9.830 11.327 -2.119
26 HB3 SER 5 2HB SER 5 11.585 11.192 -2.221
27 HG SER 5 HG SER 5 11.345 12.443 -3.894
28 H SER 6 H SER 6 10.961 7.239 -4.048
29 HA SER 6 HA SER 6 13.832 7.704 -4.423
30 HB2 SER 6 1HB SER 6 12.329 5.091 -4.669
31 HB3 SER 6 2HB SER 6 14.075 5.311 -4.555
32 HG SER 6 HG SER 6 13.875 5.870 -2.445
33 H ARG 7 H ARG 7 14.370 5.854 -6.398
34 HA ARG 7 HA ARG 7 12.764 6.016 -8.690
35 HB2 ARG 7 1HB ARG 7 13.246 8.385 -8.686
36 HB3 ARG 7 2HB ARG 7 14.970 8.073 -8.526
37 HG2 ARG 7 1HG ARG 7 15.235 7.673 -10.720
38 HG3 ARG 7 2HG ARG 7 13.687 6.836 -10.862
39 HD2 ARG 7 1HD ARG 7 13.148 8.694 -12.040
40 HD3 ARG 7 2HD ARG 7 12.791 9.316 -10.429
41 HE ARG 7 HE ARG 7 14.457 10.830 -10.742
42 HH11 ARG 7 1HH1 ARG 7 15.096 8.073 -12.768
43 HH12 ARG 7 2HH1 ARG 7 16.507 8.769 -13.493
44 HH21 ARG 7 1HH2 ARG 7 16.313 11.758 -11.689
45 HH22 ARG 7 2HH2 ARG 7 17.199 10.864 -12.878
46 H CYS 8 H CYS 8 13.664 4.925 -10.469
47 HA CYS 8 HA CYS 8 15.539 2.931 -9.849
48 HB2 CYS 8 1HB CYS 8 14.537 3.919 -12.526
49 HB3 CYS 8 2HB CYS 8 15.515 2.470 -12.313
50 H GLY 9 H GLY 9 17.661 3.100 -9.608
51 HA2 GLY 9 1HA GLY 9 19.856 3.620 -10.127
52 HA3 GLY 9 2HA GLY 9 19.276 4.499 -11.534
53 H SER 10 H SER 10 18.059 5.172 -8.338
54 HA SER 10 HA SER 10 19.537 7.723 -8.372
55 HB2 SER 10 1HB SER 10 17.227 8.216 -8.743
56 HB3 SER 10 2HB SER 10 16.720 7.121 -7.457
57 HG SER 10 HG SER 10 18.096 9.585 -7.195
58 H GLY 11 H GLY 11 18.909 4.844 -6.686
59 HA2 GLY 11 1HA GLY 11 20.592 5.734 -4.488
60 HA3 GLY 11 2HA GLY 11 18.956 5.269 -4.046
61 H GLY 12 H GLY 12 18.322 3.096 -4.206
62 HA2 GLY 12 1HA GLY 12 20.603 1.231 -4.364
63 HA3 GLY 12 2HA GLY 12 19.171 0.978 -3.377
64 H TRP 13 H TRP 13 17.863 2.182 -6.036
65 HA TRP 13 HA TRP 13 17.187 -0.443 -7.063
66 HB2 TRP 13 1HB TRP 13 16.179 2.175 -8.156
67 HB3 TRP 13 2HB TRP 13 15.394 0.598 -8.182
68 HD1 TRP 13 HD1 TRP 13 15.852 3.674 -6.014
69 HE1 TRP 13 HE1 TRP 13 14.323 3.488 -3.952
70 HE3 TRP 13 HE3 TRP 13 14.321 -1.172 -6.573
71 HZ2 TRP 13 HZ2 TRP 13 12.684 1.545 -2.725
72 HZ3 TRP 13 HZ3 TRP 13 12.772 -2.118 -4.912
73 HH2 TRP 13 HH2 TRP 13 11.972 -0.787 -3.028
74 H GLY 14 H GLY 14 17.797 -1.291 -8.983
75 HA2 GLY 14 1HA GLY 14 20.111 -0.378 -10.266
76 HA3 GLY 14 2HA GLY 14 18.997 -1.569 -10.919
77 HA PRO 15 HA PRO 15 18.956 2.212 -13.634
78 HB2 PRO 15 1HB PRO 15 19.344 0.858 -15.955
79 HB3 PRO 15 2HB PRO 15 20.675 1.425 -14.940
80 HG2 PRO 15 1HG PRO 15 19.462 -1.306 -15.120
81 HG3 PRO 15 2HG PRO 15 21.172 -0.845 -15.028
82 HD2 PRO 15 1HD PRO 15 19.784 -1.730 -12.878
83 HD3 PRO 15 2HD PRO 15 21.098 -0.543 -12.744
84 H CYS 16 H CYS 16 17.725 -0.984 -14.656
85 HA CYS 16 HA CYS 16 15.009 -0.314 -14.453
86 HB2 CYS 16 1HB CYS 16 16.335 0.571 -16.895
87 HB3 CYS 16 2HB CYS 16 14.982 -0.508 -17.221
88 H LEU 17 H LEU 17 13.982 -2.191 -14.274
89 HA LEU 17 HA LEU 17 15.012 -4.510 -15.769
90 HB2 LEU 17 1HB LEU 17 15.703 -4.811 -13.511
91 HB3 LEU 17 2HB LEU 17 14.111 -4.365 -12.902
92 HG LEU 17 HG LEU 17 13.523 -6.551 -14.422
93 HD11 LEU 17 1HD1 LEU 17 15.131 -8.205 -14.245
94 HD12 LEU 17 2HD1 LEU 17 16.014 -7.355 -12.977
95 HD13 LEU 17 3HD1 LEU 17 16.090 -6.778 -14.642
96 HD21 LEU 17 3HD2 LEU 17 14.085 -7.563 -11.887
97 HD22 LEU 17 1HD2 LEU 17 12.555 -6.891 -12.451
98 HD23 LEU 17 2HD2 LEU 17 13.723 -5.855 -11.630
99 HA PRO 18 HA PRO 18 10.878 -4.911 -17.242
100 HB2 PRO 18 1HB PRO 18 10.988 -7.498 -18.055
101 HB3 PRO 18 2HB PRO 18 11.771 -6.181 -18.936
102 HG2 PRO 18 1HG PRO 18 12.960 -8.143 -17.014
103 HG3 PRO 18 2HG PRO 18 13.603 -7.562 -18.561
104 HD2 PRO 18 1HD PRO 18 14.455 -6.603 -16.176
105 HD3 PRO 18 2HD PRO 18 14.390 -5.601 -17.640
106 H ILE 19 H ILE 19 9.081 -5.153 -16.084
107 HA ILE 19 HA ILE 19 8.921 -6.456 -13.627
108 HB ILE 19 HB ILE 19 6.608 -5.888 -15.482
109 HG12 ILE 19 1HG1 ILE 19 7.897 -4.112 -13.397
110 HG13 ILE 19 2HG1 ILE 19 8.000 -3.888 -15.139
111 HG21 ILE 19 1HG2 ILE 19 5.936 -5.489 -12.779
112 HG22 ILE 19 2HG2 ILE 19 5.355 -6.750 -13.867
113 HG23 ILE 19 3HG2 ILE 19 6.780 -7.035 -12.868
114 HD11 ILE 19 3HD1 ILE 19 5.606 -3.582 -13.363
115 HD12 ILE 19 1HD1 ILE 19 6.377 -2.374 -14.389
116 HD13 ILE 19 2HD1 ILE 19 5.476 -3.704 -15.117
117 H VAL 20 H VAL 20 8.732 -7.723 -16.808
118 HA VAL 20 HA VAL 20 7.113 -9.968 -16.454
119 HB VAL 20 HB VAL 20 8.065 -9.133 -18.635
120 HG11 VAL 20 1HG1 VAL 20 10.477 -9.373 -17.448
121 HG12 VAL 20 2HG1 VAL 20 10.409 -10.891 -18.346
122 HG13 VAL 20 3HG1 VAL 20 10.236 -9.354 -19.195
123 HG21 VAL 20 3HG2 VAL 20 7.741 -11.168 -19.648
124 HG22 VAL 20 1HG2 VAL 20 8.656 -12.046 -18.421
125 HG23 VAL 20 2HG2 VAL 20 7.024 -11.479 -18.067
126 H ASP 21 H ASP 21 10.281 -9.287 -15.280
127 HA ASP 21 HA ASP 21 10.572 -12.083 -14.397
128 HB2 ASP 21 1HB ASP 21 12.372 -11.238 -15.907
129 HB3 ASP 21 2HB ASP 21 12.760 -10.017 -14.698
130 H LEU 22 H LEU 22 9.672 -9.100 -13.348
131 HA LEU 22 HA LEU 22 10.949 -8.540 -11.004
132 HB2 LEU 22 1HB LEU 22 8.626 -7.724 -12.216
133 HB3 LEU 22 2HB LEU 22 8.044 -8.441 -10.715
134 HG LEU 22 HG LEU 22 9.782 -6.917 -9.570
135 HD11 LEU 22 1HD1 LEU 22 9.461 -4.936 -11.667
136 HD12 LEU 22 2HD1 LEU 22 10.427 -6.318 -12.183
137 HD13 LEU 22 3HD1 LEU 22 10.898 -5.398 -10.754
138 HD21 LEU 22 3HD2 LEU 22 7.197 -6.719 -9.749
139 HD22 LEU 22 1HD2 LEU 22 7.555 -5.391 -10.854
140 HD23 LEU 22 2HD2 LEU 22 8.140 -5.337 -9.190
141 H LEU 23 H LEU 23 10.498 -9.034 -8.775
142 HA LEU 23 HA LEU 23 9.149 -11.592 -8.300
143 HB2 LEU 23 1HB LEU 23 11.331 -12.364 -8.417
144 HB3 LEU 23 2HB LEU 23 11.992 -10.900 -7.692
145 HG LEU 23 HG LEU 23 10.271 -12.642 -6.004
146 HD11 LEU 23 1HD1 LEU 23 12.512 -13.817 -5.405
147 HD12 LEU 23 2HD1 LEU 23 12.972 -13.370 -7.047
148 HD13 LEU 23 3HD1 LEU 23 11.560 -14.390 -6.774
149 HD21 LEU 23 3HD2 LEU 23 10.959 -10.873 -4.755
150 HD22 LEU 23 1HD2 LEU 23 12.441 -10.649 -5.683
151 HD23 LEU 23 2HD2 LEU 23 12.338 -11.939 -4.485
152 H CYS 24 H CYS 24 9.918 -8.421 -7.349
153 HA CYS 24 HA CYS 24 8.906 -8.838 -4.628
154 HB2 CYS 24 1HB CYS 24 9.774 -6.138 -5.471
155 HB3 CYS 24 2HB CYS 24 10.096 -7.011 -3.976
156 H ILE 25 H ILE 25 7.592 -6.801 -3.855
157 HA ILE 25 HA ILE 25 5.555 -6.205 -5.900
158 HB ILE 25 HB ILE 25 5.021 -6.675 -2.966
159 HG12 ILE 25 1HG1 ILE 25 4.309 -8.436 -5.320
160 HG13 ILE 25 2HG1 ILE 25 5.665 -8.734 -4.237
161 HG21 ILE 25 1HG2 ILE 25 3.543 -5.311 -4.931
162 HG22 ILE 25 2HG2 ILE 25 2.727 -6.851 -4.666
163 HG23 ILE 25 3HG2 ILE 25 3.025 -5.767 -3.308
164 HD11 ILE 25 3HD1 ILE 25 2.741 -8.967 -3.720
165 HD12 ILE 25 1HD1 ILE 25 4.041 -10.107 -3.374
166 HD13 ILE 25 2HD1 ILE 25 3.849 -8.660 -2.383
167 H VAL 26 H VAL 26 7.275 -5.127 -3.030
168 HA VAL 26 HA VAL 26 6.082 -2.477 -3.179
169 HB VAL 26 HB VAL 26 8.312 -3.288 -1.331
170 HG11 VAL 26 1HG1 VAL 26 6.267 -1.113 -1.429
171 HG12 VAL 26 2HG1 VAL 26 6.927 -1.630 0.124
172 HG13 VAL 26 3HG1 VAL 26 8.002 -1.010 -1.130
173 HG21 VAL 26 3HG2 VAL 26 6.656 -4.986 -1.024
174 HG22 VAL 26 1HG2 VAL 26 6.519 -3.850 0.319
175 HG23 VAL 26 2HG2 VAL 26 5.358 -3.792 -1.007
176 H HIS 27 H HIS 27 8.101 -3.779 -5.146
177 HA HIS 27 HA HIS 27 10.525 -2.410 -5.059
178 HB2 HIS 27 1HB HIS 27 10.844 -3.069 -7.302
179 HB3 HIS 27 2HB HIS 27 9.823 -4.324 -6.607
180 HD1 HIS 27 HD1 HIS 27 10.090 -3.178 -9.692
181 HD2 HIS 27 HD2 HIS 27 6.921 -2.806 -7.031
182 HE1 HIS 27 HE1 HIS 27 8.058 -2.779 -11.119
183 H VAL 28 H VAL 28 10.930 -0.963 -7.288
184 HA VAL 28 HA VAL 28 9.076 1.316 -7.033
185 HB VAL 28 HB VAL 28 12.073 1.283 -7.099
186 HG11 VAL 28 1HG1 VAL 28 10.269 3.515 -8.005
187 HG12 VAL 28 2HG1 VAL 28 11.936 3.772 -7.486
188 HG13 VAL 28 3HG1 VAL 28 11.595 2.760 -8.890
189 HG21 VAL 28 3HG2 VAL 28 10.087 2.850 -5.455
190 HG22 VAL 28 1HG2 VAL 28 10.895 1.369 -4.941
191 HG23 VAL 28 2HG2 VAL 28 11.837 2.829 -5.242
192 H THR 29 H THR 29 8.508 2.398 -8.882
193 HA THR 29 HA THR 29 9.640 1.435 -11.419
194 HB THR 29 HB THR 29 7.170 1.808 -12.276
195 HG1 THR 29 HG1 THR 29 6.887 1.270 -9.499
196 HG21 THR 29 3HG2 THR 29 7.818 -0.309 -12.725
197 HG22 THR 29 1HG2 THR 29 6.810 -0.707 -11.334
198 HG23 THR 29 2HG2 THR 29 8.554 -0.531 -11.138
199 H VAL 30 H VAL 30 10.443 3.770 -10.201
200 HA VAL 30 HA VAL 30 9.071 5.873 -11.741
201 HB VAL 30 HB VAL 30 10.929 6.315 -9.407
202 HG11 VAL 30 1HG1 VAL 30 9.620 8.501 -9.358
203 HG12 VAL 30 2HG1 VAL 30 10.766 8.282 -10.683
204 HG13 VAL 30 3HG1 VAL 30 9.039 8.056 -10.963
205 HG21 VAL 30 3HG2 VAL 30 8.339 6.910 -8.586
206 HG22 VAL 30 1HG2 VAL 30 8.200 5.362 -9.418
207 HG23 VAL 30 2HG2 VAL 30 9.324 5.541 -8.070
208 H GLY 31 H GLY 31 10.196 7.119 -13.163
209 HA2 GLY 31 1HA GLY 31 12.030 7.983 -14.301
210 HA3 GLY 31 2HA GLY 31 13.088 7.084 -13.223
211 H CYS 32 H CYS 32 11.010 4.811 -14.141
212 HA CYS 32 HA CYS 32 12.762 3.913 -16.309
213 HB2 CYS 32 1HB CYS 32 11.049 2.554 -14.291
214 HB3 CYS 32 2HB CYS 32 11.250 1.756 -15.848
215 H SER 33 H SER 33 11.398 2.304 -17.829
216 HA SER 33 HA SER 33 9.546 4.050 -19.207
217 HB2 SER 33 1HB SER 33 11.226 1.784 -19.901
218 HB3 SER 33 2HB SER 33 9.600 1.607 -20.559
219 HG SER 33 HG SER 33 11.592 3.259 -21.338
220 H GLY 34 H GLY 34 7.447 3.301 -19.972
221 HA2 GLY 34 1HA GLY 34 5.843 2.308 -17.877
222 HA3 GLY 34 2HA GLY 34 5.328 2.531 -19.543
223 H GLY 35 H GLY 35 6.549 0.287 -17.184
224 HA2 GLY 35 1HA GLY 35 5.490 -1.988 -17.581
225 HA3 GLY 35 2HA GLY 35 6.274 -1.897 -19.152
226 H PHE 36 H PHE 36 8.312 -0.398 -17.071
227 HA PHE 36 HA PHE 36 9.677 -2.888 -16.305
228 HB2 PHE 36 1HB PHE 36 11.050 -0.444 -17.440
229 HB3 PHE 36 2HB PHE 36 11.820 -1.955 -16.967
230 HD1 PHE 36 HD1 PHE 36 9.466 -0.441 -19.383
231 HD2 PHE 36 HD2 PHE 36 11.962 -3.763 -18.456
232 HE1 PHE 36 HE1 PHE 36 9.157 -1.306 -21.666
233 HE2 PHE 36 HE2 PHE 36 11.657 -4.632 -20.738
234 HZ PHE 36 HZ PHE 36 10.254 -3.404 -22.346
235 H GLY 37 H GLY 37 10.340 -2.950 -14.248
236 HA2 GLY 37 1HA GLY 37 10.418 -0.395 -12.762
237 HA3 GLY 37 2HA GLY 37 9.777 -1.880 -12.075
238 H CYS 38 H CYS 38 11.403 -1.202 -10.388
239 HA CYS 38 HA CYS 38 13.846 -2.716 -10.842
240 HB2 CYS 38 1HB CYS 38 15.130 -0.774 -9.694
241 HB3 CYS 38 2HB CYS 38 14.771 -0.652 -11.413
242 H CYS 39 H CYS 39 14.687 -3.628 -8.998
243 HA CYS 39 HA CYS 39 13.155 -3.159 -6.524
244 HB2 CYS 39 1HB CYS 39 13.189 -5.480 -7.888
245 HB3 CYS 39 2HB CYS 39 14.605 -5.723 -6.871
246 H ARG 40 H ARG 40 14.381 -3.751 -4.513
247 HA ARG 40 HA ARG 40 16.711 -2.215 -4.308
248 HB2 ARG 40 1HB ARG 40 15.769 -4.407 -2.450
249 HB3 ARG 40 2HB ARG 40 16.919 -3.138 -2.053
250 HG2 ARG 40 1HG ARG 40 14.143 -2.476 -2.955
251 HG3 ARG 40 2HG ARG 40 14.491 -2.881 -1.273
252 HD2 ARG 40 1HD ARG 40 16.033 -0.771 -2.752
253 HD3 ARG 40 2HD ARG 40 14.514 -0.409 -1.933
254 HE ARG 40 HE ARG 40 15.783 -1.475 0.074
255 HH11 ARG 40 1HH1 ARG 40 17.111 0.592 -2.393
256 HH12 ARG 40 2HH1 ARG 40 18.339 1.251 -1.364
257 HH21 ARG 40 1HH2 ARG 40 17.395 -0.614 1.439
258 HH22 ARG 40 2HH2 ARG 40 18.500 0.564 0.816
259 H ILE 41 H ILE 41 18.510 -2.693 -5.407
260 HA ILE 41 HA ILE 41 19.361 -5.458 -5.718
261 HB ILE 41 HB ILE 41 20.591 -2.912 -6.779
262 HG12 ILE 41 1HG1 ILE 41 18.895 -5.021 -8.134
263 HG13 ILE 41 2HG1 ILE 41 18.383 -3.385 -7.736
264 HG21 ILE 41 1HG2 ILE 41 21.898 -4.399 -8.234
265 HG22 ILE 41 2HG2 ILE 41 22.258 -4.654 -6.528
266 HG23 ILE 41 3HG2 ILE 41 21.227 -5.795 -7.391
267 HD11 ILE 41 3HD1 ILE 41 20.248 -2.581 -9.235
268 HD12 ILE 41 1HD1 ILE 41 20.400 -4.252 -9.778
269 HD13 ILE 41 2HD1 ILE 41 18.889 -3.377 -10.028
270 H GLY 42 H GLY 42 20.741 -2.415 -4.469
271 HA2 GLY 42 1HA GLY 42 22.227 -3.982 -2.490
272 HA3 GLY 42 2HA GLY 42 23.147 -2.940 -3.566
Start of MODEL 2
1 H1 ASP 1 1H ASP 1 1.739 -0.036 0.755
2 HA ASP 1 HA ASP 1 2.910 -0.657 -1.188
3 HB2 ASP 1 1HB ASP 1 0.824 -1.583 -2.189
4 HB3 ASP 1 2HB ASP 1 0.384 0.045 -2.697
5 H ASP 2 H ASP 2 3.256 1.620 0.139
6 HA ASP 2 HA ASP 2 3.400 3.678 -1.966
7 HB2 ASP 2 1HB ASP 2 3.336 4.325 0.972
8 HB3 ASP 2 2HB ASP 2 2.997 5.383 -0.395
9 H THR 3 H THR 3 5.438 3.636 -2.681
10 HA THR 3 HA THR 3 7.647 3.057 -0.902
11 HB THR 3 HB THR 3 8.801 3.837 -3.269
12 HG1 THR 3 HG1 THR 3 7.358 3.712 -4.802
13 HG21 THR 3 3HG2 THR 3 8.170 1.120 -3.586
14 HG22 THR 3 1HG2 THR 3 8.251 1.398 -1.847
15 HG23 THR 3 2HG2 THR 3 9.628 1.806 -2.870
16 HA PRO 4 HA PRO 4 8.949 7.152 -0.008
17 HB2 PRO 4 1HB PRO 4 11.652 6.940 -0.145
18 HB3 PRO 4 2HB PRO 4 10.698 6.234 1.166
19 HG2 PRO 4 1HG PRO 4 11.821 4.921 -1.279
20 HG3 PRO 4 2HG PRO 4 11.794 4.334 0.394
21 HD2 PRO 4 1HD PRO 4 10.032 3.482 -1.477
22 HD3 PRO 4 2HD PRO 4 9.608 3.620 0.242
23 H SER 5 H SER 5 10.772 8.807 -0.816
24 HA SER 5 HA SER 5 10.094 9.348 -3.565
25 HB2 SER 5 1HB SER 5 10.242 11.109 -1.756
26 HB3 SER 5 2HB SER 5 11.993 10.905 -1.800
27 HG SER 5 HG SER 5 10.395 12.304 -3.465
28 H SER 6 H SER 6 11.298 7.168 -4.004
29 HA SER 6 HA SER 6 14.150 7.694 -4.486
30 HB2 SER 6 1HB SER 6 12.830 5.450 -3.432
31 HB3 SER 6 2HB SER 6 13.339 4.975 -5.052
32 HG SER 6 HG SER 6 14.828 5.331 -2.825
33 H ARG 7 H ARG 7 14.632 5.841 -6.469
34 HA ARG 7 HA ARG 7 12.902 5.867 -8.659
35 HB2 ARG 7 1HB ARG 7 13.107 8.220 -8.831
36 HB3 ARG 7 2HB ARG 7 14.841 8.168 -8.541
37 HG2 ARG 7 1HG ARG 7 15.325 7.715 -10.694
38 HG3 ARG 7 2HG ARG 7 13.893 6.708 -10.917
39 HD2 ARG 7 1HD ARG 7 12.569 8.479 -11.493
40 HD3 ARG 7 2HD ARG 7 13.496 9.625 -10.525
41 HE ARG 7 HE ARG 7 13.856 9.057 -13.277
42 HH11 ARG 7 1HH1 ARG 7 15.619 9.796 -10.367
43 HH12 ARG 7 2HH1 ARG 7 16.952 10.521 -11.203
44 HH21 ARG 7 1HH2 ARG 7 15.605 10.010 -14.389
45 HH22 ARG 7 2HH2 ARG 7 16.943 10.643 -13.490
46 H CYS 8 H CYS 8 13.704 4.670 -10.355
47 HA CYS 8 HA CYS 8 15.746 2.875 -9.902
48 HB2 CYS 8 1HB CYS 8 14.717 3.870 -12.568
49 HB3 CYS 8 2HB CYS 8 15.674 2.411 -12.334
50 H GLY 9 H GLY 9 17.870 3.113 -9.738
51 HA2 GLY 9 1HA GLY 9 20.021 3.761 -10.291
52 HA3 GLY 9 2HA GLY 9 19.360 4.675 -11.638
53 H SER 10 H SER 10 18.149 5.177 -8.422
54 HA SER 10 HA SER 10 19.545 7.773 -8.353
55 HB2 SER 10 1HB SER 10 17.053 7.873 -8.714
56 HB3 SER 10 2HB SER 10 16.855 7.159 -7.114
57 HG SER 10 HG SER 10 16.788 9.527 -7.245
58 H GLY 11 H GLY 11 18.837 4.843 -6.696
59 HA2 GLY 11 1HA GLY 11 20.592 5.670 -4.514
60 HA3 GLY 11 2HA GLY 11 18.964 5.175 -4.073
61 H GLY 12 H GLY 12 18.398 3.015 -4.138
62 HA2 GLY 12 1HA GLY 12 20.681 1.176 -4.436
63 HA3 GLY 12 2HA GLY 12 19.271 0.885 -3.429
64 H TRP 13 H TRP 13 17.904 2.133 -6.040
65 HA TRP 13 HA TRP 13 17.232 -0.477 -7.108
66 HB2 TRP 13 1HB TRP 13 16.187 2.159 -8.122
67 HB3 TRP 13 2HB TRP 13 15.417 0.577 -8.187
68 HD1 TRP 13 HD1 TRP 13 15.848 3.599 -5.948
69 HE1 TRP 13 HE1 TRP 13 14.352 3.333 -3.870
70 HE3 TRP 13 HE3 TRP 13 14.411 -1.264 -6.599
71 HZ2 TRP 13 HZ2 TRP 13 12.773 1.327 -2.666
72 HZ3 TRP 13 HZ3 TRP 13 12.907 -2.282 -4.939
73 HH2 TRP 13 HH2 TRP 13 12.107 -1.011 -3.013
74 H GLY 14 H GLY 14 17.831 -1.287 -9.046
75 HA2 GLY 14 1HA GLY 14 20.109 -0.315 -10.351
76 HA3 GLY 14 2HA GLY 14 19.008 -1.520 -11.001
77 HA PRO 15 HA PRO 15 18.850 2.289 -13.672
78 HB2 PRO 15 1HB PRO 15 19.217 0.967 -16.014
79 HB3 PRO 15 2HB PRO 15 20.557 1.546 -15.017
80 HG2 PRO 15 1HG PRO 15 19.388 -1.203 -15.206
81 HG3 PRO 15 2HG PRO 15 21.091 -0.714 -15.140
82 HD2 PRO 15 1HD PRO 15 19.758 -1.646 -12.975
83 HD3 PRO 15 2HD PRO 15 21.054 -0.438 -12.852
84 H CYS 16 H CYS 16 17.661 -0.912 -14.727
85 HA CYS 16 HA CYS 16 14.933 -0.270 -14.470
86 HB2 CYS 16 1HB CYS 16 16.224 0.582 -16.949
87 HB3 CYS 16 2HB CYS 16 14.855 -0.490 -17.228
88 H LEU 17 H LEU 17 13.922 -2.153 -14.265
89 HA LEU 17 HA LEU 17 14.952 -4.478 -15.749
90 HB2 LEU 17 1HB LEU 17 15.686 -4.759 -13.506
91 HB3 LEU 17 2HB LEU 17 14.107 -4.309 -12.867
92 HG LEU 17 HG LEU 17 13.495 -6.514 -14.353
93 HD11 LEU 17 1HD1 LEU 17 16.048 -7.240 -12.959
94 HD12 LEU 17 2HD1 LEU 17 16.023 -6.774 -14.659
95 HD13 LEU 17 3HD1 LEU 17 15.109 -8.182 -14.118
96 HD21 LEU 17 3HD2 LEU 17 14.081 -7.510 -11.829
97 HD22 LEU 17 1HD2 LEU 17 12.555 -6.801 -12.358
98 HD23 LEU 17 2HD2 LEU 17 13.767 -5.794 -11.565
99 HA PRO 18 HA PRO 18 10.798 -4.939 -17.145
100 HB2 PRO 18 1HB PRO 18 10.916 -7.538 -17.920
101 HB3 PRO 18 2HB PRO 18 11.673 -6.228 -18.834
102 HG2 PRO 18 1HG PRO 18 12.910 -8.151 -16.902
103 HG3 PRO 18 2HG PRO 18 13.523 -7.589 -18.468
104 HD2 PRO 18 1HD PRO 18 14.406 -6.586 -16.113
105 HD3 PRO 18 2HD PRO 18 14.308 -5.608 -17.591
106 H ILE 19 H ILE 19 9.018 -5.184 -15.962
107 HA ILE 19 HA ILE 19 8.908 -6.443 -13.479
108 HB ILE 19 HB ILE 19 6.553 -5.953 -15.304
109 HG12 ILE 19 1HG1 ILE 19 7.892 -4.091 -13.330
110 HG13 ILE 19 2HG1 ILE 19 7.902 -3.921 -15.081
111 HG21 ILE 19 1HG2 ILE 19 5.328 -6.731 -13.627
112 HG22 ILE 19 2HG2 ILE 19 6.786 -7.039 -12.685
113 HG23 ILE 19 3HG2 ILE 19 5.979 -5.474 -12.575
114 HD11 ILE 19 3HD1 ILE 19 6.043 -2.741 -14.973
115 HD12 ILE 19 1HD1 ILE 19 5.205 -4.109 -14.240
116 HD13 ILE 19 2HD1 ILE 19 6.023 -2.926 -13.219
117 H VAL 20 H VAL 20 8.689 -7.771 -16.634
118 HA VAL 20 HA VAL 20 7.105 -10.031 -16.204
119 HB VAL 20 HB VAL 20 7.988 -9.221 -18.422
120 HG11 VAL 20 1HG1 VAL 20 10.148 -9.436 -19.045
121 HG12 VAL 20 2HG1 VAL 20 10.431 -9.380 -17.304
122 HG13 VAL 20 3HG1 VAL 20 10.373 -10.932 -18.140
123 HG21 VAL 20 3HG2 VAL 20 8.624 -12.125 -18.149
124 HG22 VAL 20 1HG2 VAL 20 6.989 -11.559 -17.809
125 HG23 VAL 20 2HG2 VAL 20 7.703 -11.288 -19.398
126 H ASP 21 H ASP 21 10.294 -9.285 -15.127
127 HA ASP 21 HA ASP 21 10.646 -12.060 -14.200
128 HB2 ASP 21 1HB ASP 21 12.387 -10.543 -15.712
129 HB3 ASP 21 2HB ASP 21 13.018 -10.352 -14.078
130 H LEU 22 H LEU 22 9.719 -9.081 -13.179
131 HA LEU 22 HA LEU 22 11.049 -8.440 -10.888
132 HB2 LEU 22 1HB LEU 22 8.677 -7.704 -12.039
133 HB3 LEU 22 2HB LEU 22 8.148 -8.426 -10.521
134 HG LEU 22 HG LEU 22 9.929 -6.835 -9.468
135 HD11 LEU 22 1HD1 LEU 22 9.277 -4.909 -11.567
136 HD12 LEU 22 2HD1 LEU 22 10.369 -6.193 -12.085
137 HD13 LEU 22 3HD1 LEU 22 10.790 -5.182 -10.702
138 HD21 LEU 22 3HD2 LEU 22 7.319 -6.808 -9.447
139 HD22 LEU 22 1HD2 LEU 22 7.519 -5.428 -10.527
140 HD23 LEU 22 2HD2 LEU 22 8.224 -5.391 -8.911
141 H LEU 23 H LEU 23 10.602 -8.871 -8.620
142 HA LEU 23 HA LEU 23 9.411 -11.494 -8.078
143 HB2 LEU 23 1HB LEU 23 11.649 -12.114 -8.181
144 HB3 LEU 23 2HB LEU 23 12.199 -10.603 -7.459
145 HG LEU 23 HG LEU 23 10.573 -12.437 -5.776
146 HD11 LEU 23 1HD1 LEU 23 13.047 -13.331 -5.208
147 HD12 LEU 23 2HD1 LEU 23 13.189 -13.109 -6.951
148 HD13 LEU 23 3HD1 LEU 23 11.931 -14.157 -6.295
149 HD21 LEU 23 3HD2 LEU 23 11.144 -10.616 -4.540
150 HD22 LEU 23 1HD2 LEU 23 12.626 -10.321 -5.450
151 HD23 LEU 23 2HD2 LEU 23 12.575 -11.603 -4.240
152 H CYS 24 H CYS 24 9.961 -8.255 -7.219
153 HA CYS 24 HA CYS 24 8.905 -8.675 -4.509
154 HB2 CYS 24 1HB CYS 24 9.736 -5.956 -5.270
155 HB3 CYS 24 2HB CYS 24 10.103 -6.883 -3.819
156 H ILE 25 H ILE 25 7.469 -6.775 -3.764
157 HA ILE 25 HA ILE 25 5.526 -6.178 -5.899
158 HB ILE 25 HB ILE 25 4.868 -6.571 -2.981
159 HG12 ILE 25 1HG1 ILE 25 4.481 -8.485 -5.293
160 HG13 ILE 25 2HG1 ILE 25 5.662 -8.672 -4.001
161 HG21 ILE 25 1HG2 ILE 25 3.405 -5.110 -4.469
162 HG22 ILE 25 2HG2 ILE 25 2.984 -6.597 -5.318
163 HG23 ILE 25 3HG2 ILE 25 2.609 -6.424 -3.603
164 HD11 ILE 25 3HD1 ILE 25 2.758 -9.157 -4.005
165 HD12 ILE 25 1HD1 ILE 25 4.053 -9.993 -3.148
166 HD13 ILE 25 2HD1 ILE 25 3.436 -8.458 -2.535
167 H VAL 26 H VAL 26 7.068 -5.047 -2.938
168 HA VAL 26 HA VAL 26 5.872 -2.408 -3.209
169 HB VAL 26 HB VAL 26 6.237 -3.555 -0.972
170 HG11 VAL 26 1HG1 VAL 26 9.071 -2.598 -1.287
171 HG12 VAL 26 2HG1 VAL 26 8.382 -3.563 0.020
172 HG13 VAL 26 3HG1 VAL 26 8.588 -4.268 -1.584
173 HG21 VAL 26 3HG2 VAL 26 7.641 -1.015 -0.663
174 HG22 VAL 26 1HG2 VAL 26 6.205 -0.907 -1.681
175 HG23 VAL 26 2HG2 VAL 26 6.075 -1.528 -0.035
176 H HIS 27 H HIS 27 8.028 -3.718 -5.015
177 HA HIS 27 HA HIS 27 10.431 -2.326 -4.777
178 HB2 HIS 27 1HB HIS 27 10.910 -3.012 -6.987
179 HB3 HIS 27 2HB HIS 27 9.867 -4.272 -6.336
180 HD1 HIS 27 HD1 HIS 27 10.304 -3.252 -9.421
181 HD2 HIS 27 HD2 HIS 27 6.986 -2.738 -6.975
182 HE1 HIS 27 HE1 HIS 27 8.366 -2.896 -10.983
183 H VAL 28 H VAL 28 10.969 -0.919 -7.013
184 HA VAL 28 HA VAL 28 9.116 1.371 -6.870
185 HB VAL 28 HB VAL 28 12.119 1.318 -6.959
186 HG11 VAL 28 1HG1 VAL 28 11.590 2.823 -8.714
187 HG12 VAL 28 2HG1 VAL 28 10.290 3.564 -7.778
188 HG13 VAL 28 3HG1 VAL 28 11.972 3.809 -7.303
189 HG21 VAL 28 3HG2 VAL 28 10.186 2.879 -5.249
190 HG22 VAL 28 1HG2 VAL 28 10.955 1.364 -4.777
191 HG23 VAL 28 2HG2 VAL 28 11.937 2.801 -5.061
192 H THR 29 H THR 29 8.608 2.440 -8.753
193 HA THR 29 HA THR 29 9.757 1.409 -11.252
194 HB THR 29 HB THR 29 7.304 1.730 -12.158
195 HG1 THR 29 HG1 THR 29 6.944 1.221 -9.379
196 HG21 THR 29 3HG2 THR 29 8.686 -0.555 -10.927
197 HG22 THR 29 1HG2 THR 29 7.947 -0.402 -12.520
198 HG23 THR 29 2HG2 THR 29 6.944 -0.753 -11.112
199 H VAL 30 H VAL 30 10.436 3.809 -9.975
200 HA VAL 30 HA VAL 30 9.082 5.862 -11.588
201 HB VAL 30 HB VAL 30 10.907 6.262 -9.215
202 HG11 VAL 30 1HG1 VAL 30 9.424 8.517 -9.440
203 HG12 VAL 30 2HG1 VAL 30 11.034 8.314 -10.132
204 HG13 VAL 30 3HG1 VAL 30 9.604 8.067 -11.135
205 HG21 VAL 30 3HG2 VAL 30 8.443 7.096 -8.420
206 HG22 VAL 30 1HG2 VAL 30 8.035 5.700 -9.418
207 HG23 VAL 30 2HG2 VAL 30 9.135 5.516 -8.051
208 H GLY 31 H GLY 31 10.201 7.146 -12.999
209 HA2 GLY 31 1HA GLY 31 12.029 8.008 -14.149
210 HA3 GLY 31 2HA GLY 31 13.091 7.076 -13.104
211 H CYS 32 H CYS 32 10.993 4.831 -14.007
212 HA CYS 32 HA CYS 32 12.680 3.966 -16.239
213 HB2 CYS 32 1HB CYS 32 11.021 2.573 -14.197
214 HB3 CYS 32 2HB CYS 32 11.196 1.798 -15.768
215 H SER 33 H SER 33 11.269 2.377 -17.738
216 HA SER 33 HA SER 33 9.372 4.140 -19.031
217 HB2 SER 33 1HB SER 33 10.689 1.544 -19.773
218 HB3 SER 33 2HB SER 33 9.300 2.131 -20.689
219 HG SER 33 HG SER 33 10.446 3.893 -21.312
220 H GLY 34 H GLY 34 7.247 3.422 -19.720
221 HA2 GLY 34 1HA GLY 34 5.719 2.372 -17.600
222 HA3 GLY 34 2HA GLY 34 5.146 2.635 -19.240
223 H GLY 35 H GLY 35 6.434 0.334 -16.978
224 HA2 GLY 35 1HA GLY 35 5.351 -1.929 -17.417
225 HA3 GLY 35 2HA GLY 35 6.123 -1.801 -18.991
226 H PHE 36 H PHE 36 8.204 -0.354 -16.939
227 HA PHE 36 HA PHE 36 9.551 -2.862 -16.200
228 HB2 PHE 36 1HB PHE 36 10.920 -0.435 -17.379
229 HB3 PHE 36 2HB PHE 36 11.697 -1.939 -16.893
230 HD1 PHE 36 HD1 PHE 36 9.287 -0.478 -19.290
231 HD2 PHE 36 HD2 PHE 36 11.838 -3.757 -18.364
232 HE1 PHE 36 HE1 PHE 36 8.943 -1.380 -21.553
233 HE2 PHE 36 HE2 PHE 36 11.499 -4.664 -20.626
234 HZ PHE 36 HZ PHE 36 10.049 -3.476 -22.223
235 H GLY 37 H GLY 37 10.283 -2.929 -14.164
236 HA2 GLY 37 1HA GLY 37 10.404 -0.377 -12.676
237 HA3 GLY 37 2HA GLY 37 9.773 -1.860 -11.975
238 H CYS 38 H CYS 38 11.445 -1.187 -10.329
239 HA CYS 38 HA CYS 38 13.891 -2.679 -10.875
240 HB2 CYS 38 1HB CYS 38 15.125 -0.740 -9.618
241 HB3 CYS 38 2HB CYS 38 14.821 -0.611 -11.347
242 H CYS 39 H CYS 39 14.791 -3.639 -9.078
243 HA CYS 39 HA CYS 39 13.271 -3.324 -6.572
244 HB2 CYS 39 1HB CYS 39 14.145 -5.705 -8.068
245 HB3 CYS 39 2HB CYS 39 14.451 -5.775 -6.336
246 H ARG 40 H ARG 40 14.498 -3.832 -4.588
247 HA ARG 40 HA ARG 40 16.787 -2.272 -4.343
248 HB2 ARG 40 1HB ARG 40 15.923 -4.564 -2.570
249 HB3 ARG 40 2HB ARG 40 17.057 -3.294 -2.129
250 HG2 ARG 40 1HG ARG 40 14.252 -2.657 -2.966
251 HG3 ARG 40 2HG ARG 40 14.645 -3.104 -1.304
252 HD2 ARG 40 1HD ARG 40 16.107 -0.915 -2.749
253 HD3 ARG 40 2HD ARG 40 14.598 -0.614 -1.888
254 HE ARG 40 HE ARG 40 15.933 -1.709 0.058
255 HH11 ARG 40 1HH1 ARG 40 17.163 0.458 -2.373
256 HH12 ARG 40 2HH1 ARG 40 18.398 1.114 -1.350
257 HH21 ARG 40 1HH2 ARG 40 17.555 -0.854 1.415
258 HH22 ARG 40 2HH2 ARG 40 18.621 0.366 0.804
259 H ILE 41 H ILE 41 18.597 -2.635 -5.466
260 HA ILE 41 HA ILE 41 19.548 -5.353 -5.894
261 HB ILE 41 HB ILE 41 20.840 -2.790 -6.823
262 HG12 ILE 41 1HG1 ILE 41 18.564 -2.851 -7.676
263 HG13 ILE 41 2HG1 ILE 41 19.691 -3.206 -8.981
264 HG21 ILE 41 1HG2 ILE 41 21.528 -5.569 -7.011
265 HG22 ILE 41 2HG2 ILE 41 21.259 -4.901 -8.620
266 HG23 ILE 41 3HG2 ILE 41 22.438 -4.154 -7.541
267 HD11 ILE 41 3HD1 ILE 41 18.111 -4.798 -9.355
268 HD12 ILE 41 1HD1 ILE 41 19.194 -5.689 -8.285
269 HD13 ILE 41 2HD1 ILE 41 17.716 -4.969 -7.645
270 H GLY 42 H GLY 42 20.825 -2.308 -4.541
271 HA2 GLY 42 1HA GLY 42 22.012 -3.511 -2.303
272 HA3 GLY 42 2HA GLY 42 23.230 -3.392 -3.565
Start of MODEL 3
1 H1 ASP 1 1H ASP 1 0.528 1.346 2.339
2 HA ASP 1 HA ASP 1 1.695 0.220 0.278
3 HB2 ASP 1 1HB ASP 1 -0.872 0.601 0.794
4 HB3 ASP 1 2HB ASP 1 -0.726 1.789 -0.498
5 H ASP 2 H ASP 2 3.389 2.300 0.539
6 HA ASP 2 HA ASP 2 3.460 3.350 -2.161
7 HB2 ASP 2 1HB ASP 2 2.323 4.955 -0.246
8 HB3 ASP 2 2HB ASP 2 4.005 5.476 -0.209
9 H THR 3 H THR 3 5.510 5.131 -1.949
10 HA THR 3 HA THR 3 7.665 3.801 -0.487
11 HB THR 3 HB THR 3 8.933 4.340 -2.852
12 HG1 THR 3 HG1 THR 3 6.400 3.198 -3.495
13 HG21 THR 3 3HG2 THR 3 8.731 2.232 -1.253
14 HG22 THR 3 1HG2 THR 3 9.368 2.093 -2.891
15 HG23 THR 3 2HG2 THR 3 7.693 1.652 -2.555
16 HA PRO 4 HA PRO 4 9.212 7.853 0.186
17 HB2 PRO 4 1HB PRO 4 11.898 7.459 0.135
18 HB3 PRO 4 2HB PRO 4 10.870 6.901 1.460
19 HG2 PRO 4 1HG PRO 4 11.959 5.365 -0.867
20 HG3 PRO 4 2HG PRO 4 11.856 4.889 0.838
21 HD2 PRO 4 1HD PRO 4 10.084 4.035 -1.023
22 HD3 PRO 4 2HD PRO 4 9.632 4.309 0.672
23 H SER 5 H SER 5 11.280 9.250 -0.680
24 HA SER 5 HA SER 5 10.623 9.790 -3.425
25 HB2 SER 5 1HB SER 5 12.927 11.113 -2.049
26 HB3 SER 5 2HB SER 5 11.735 11.802 -3.152
27 HG SER 5 HG SER 5 10.909 12.510 -1.339
28 H SER 6 H SER 6 11.467 7.391 -3.739
29 HA SER 6 HA SER 6 14.316 7.512 -4.474
30 HB2 SER 6 1HB SER 6 12.531 5.234 -3.658
31 HB3 SER 6 2HB SER 6 14.000 4.934 -4.588
32 HG SER 6 HG SER 6 15.122 6.111 -2.902
33 H ARG 7 H ARG 7 14.966 6.521 -6.476
34 HA ARG 7 HA ARG 7 12.905 5.962 -8.442
35 HB2 ARG 7 1HB ARG 7 13.006 8.296 -8.787
36 HB3 ARG 7 2HB ARG 7 14.756 8.329 -8.611
37 HG2 ARG 7 1HG ARG 7 15.127 7.633 -10.750
38 HG3 ARG 7 2HG ARG 7 13.606 6.740 -10.840
39 HD2 ARG 7 1HD ARG 7 12.463 8.524 -11.590
40 HD3 ARG 7 2HD ARG 7 13.300 9.636 -10.508
41 HE ARG 7 HE ARG 7 13.968 9.044 -13.237
42 HH11 ARG 7 1HH1 ARG 7 15.191 10.154 -10.172
43 HH12 ARG 7 2HH1 ARG 7 16.516 11.026 -10.869
44 HH21 ARG 7 1HH2 ARG 7 15.709 10.188 -14.166
45 HH22 ARG 7 2HH2 ARG 7 16.809 11.045 -13.141
46 H CYS 8 H CYS 8 13.650 4.803 -10.233
47 HA CYS 8 HA CYS 8 15.697 3.004 -9.845
48 HB2 CYS 8 1HB CYS 8 14.500 4.022 -12.425
49 HB3 CYS 8 2HB CYS 8 15.605 2.654 -12.343
50 H GLY 9 H GLY 9 17.836 3.169 -9.807
51 HA2 GLY 9 1HA GLY 9 19.971 3.816 -10.415
52 HA3 GLY 9 2HA GLY 9 19.269 4.791 -11.698
53 H SER 10 H SER 10 18.128 5.227 -8.464
54 HA SER 10 HA SER 10 19.648 7.747 -8.298
55 HB2 SER 10 1HB SER 10 17.130 7.917 -8.706
56 HB3 SER 10 2HB SER 10 16.929 7.303 -7.065
57 HG SER 10 HG SER 10 17.792 9.780 -7.943
58 H GLY 11 H GLY 11 18.532 4.890 -6.655
59 HA2 GLY 11 1HA GLY 11 20.293 5.575 -4.400
60 HA3 GLY 11 2HA GLY 11 18.647 5.049 -4.078
61 H GLY 12 H GLY 12 18.185 2.909 -4.039
62 HA2 GLY 12 1HA GLY 12 20.468 1.098 -4.425
63 HA3 GLY 12 2HA GLY 12 19.051 0.764 -3.442
64 H TRP 13 H TRP 13 17.695 2.070 -6.028
65 HA TRP 13 HA TRP 13 17.072 -0.516 -7.182
66 HB2 TRP 13 1HB TRP 13 15.989 2.132 -8.123
67 HB3 TRP 13 2HB TRP 13 15.245 0.539 -8.238
68 HD1 TRP 13 HD1 TRP 13 15.617 3.502 -5.908
69 HE1 TRP 13 HE1 TRP 13 14.114 3.152 -3.848
70 HE3 TRP 13 HE3 TRP 13 14.258 -1.361 -6.711
71 HZ2 TRP 13 HZ2 TRP 13 12.558 1.088 -2.714
72 HZ3 TRP 13 HZ3 TRP 13 12.760 -2.449 -5.091
73 HH2 TRP 13 HH2 TRP 13 11.929 -1.249 -3.134
74 H GLY 14 H GLY 14 17.731 -1.264 -9.120
75 HA2 GLY 14 1HA GLY 14 19.987 -0.189 -10.384
76 HA3 GLY 14 2HA GLY 14 18.930 -1.415 -11.070
77 HA PRO 15 HA PRO 15 18.670 2.454 -13.650
78 HB2 PRO 15 1HB PRO 15 19.126 1.207 -16.018
79 HB3 PRO 15 2HB PRO 15 20.426 1.814 -14.986
80 HG2 PRO 15 1HG PRO 15 19.371 -0.974 -15.262
81 HG3 PRO 15 2HG PRO 15 21.052 -0.419 -15.157
82 HD2 PRO 15 1HD PRO 15 19.725 -1.459 -13.037
83 HD3 PRO 15 2HD PRO 15 20.969 -0.204 -12.863
84 H CYS 16 H CYS 16 17.629 -0.760 -14.815
85 HA CYS 16 HA CYS 16 14.870 -0.214 -14.593
86 HB2 CYS 16 1HB CYS 16 16.189 0.682 -17.044
87 HB3 CYS 16 2HB CYS 16 14.850 -0.420 -17.349
88 H LEU 17 H LEU 17 13.935 -2.134 -14.393
89 HA LEU 17 HA LEU 17 15.050 -4.412 -15.888
90 HB2 LEU 17 1HB LEU 17 15.793 -4.681 -13.646
91 HB3 LEU 17 2HB LEU 17 14.198 -4.292 -13.005
92 HG LEU 17 HG LEU 17 13.665 -6.509 -14.506
93 HD11 LEU 17 1HD1 LEU 17 16.122 -6.764 -14.904
94 HD12 LEU 17 2HD1 LEU 17 15.349 -8.150 -14.135
95 HD13 LEU 17 3HD1 LEU 17 16.313 -7.032 -13.171
96 HD21 LEU 17 3HD2 LEU 17 13.899 -5.794 -11.717
97 HD22 LEU 17 1HD2 LEU 17 14.299 -7.491 -11.982
98 HD23 LEU 17 2HD2 LEU 17 12.741 -6.859 -12.514
99 HA PRO 18 HA PRO 18 10.914 -5.009 -17.288
100 HB2 PRO 18 1HB PRO 18 11.124 -7.597 -18.082
101 HB3 PRO 18 2HB PRO 18 11.834 -6.254 -18.986
102 HG2 PRO 18 1HG PRO 18 13.138 -8.147 -17.068
103 HG3 PRO 18 2HG PRO 18 13.731 -7.552 -18.630
104 HD2 PRO 18 1HD PRO 18 14.578 -6.536 -16.267
105 HD3 PRO 18 2HD PRO 18 14.446 -5.550 -17.738
106 H ILE 19 H ILE 19 9.148 -5.319 -16.098
107 HA ILE 19 HA ILE 19 9.083 -6.604 -13.629
108 HB ILE 19 HB ILE 19 6.712 -6.174 -15.446
109 HG12 ILE 19 1HG1 ILE 19 8.004 -4.292 -13.460
110 HG13 ILE 19 2HG1 ILE 19 7.978 -4.097 -15.209
111 HG21 ILE 19 1HG2 ILE 19 6.223 -7.598 -13.548
112 HG22 ILE 19 2HG2 ILE 19 6.936 -6.417 -12.450
113 HG23 ILE 19 3HG2 ILE 19 5.461 -6.023 -13.332
114 HD11 ILE 19 3HD1 ILE 19 5.689 -3.889 -13.283
115 HD12 ILE 19 1HD1 ILE 19 6.335 -2.652 -14.361
116 HD13 ILE 19 2HD1 ILE 19 5.460 -4.032 -15.025
117 H VAL 20 H VAL 20 8.895 -7.909 -16.796
118 HA VAL 20 HA VAL 20 7.390 -10.224 -16.384
119 HB VAL 20 HB VAL 20 8.244 -9.366 -18.596
120 HG11 VAL 20 1HG1 VAL 20 10.674 -11.003 -18.381
121 HG12 VAL 20 2HG1 VAL 20 10.410 -9.459 -19.196
122 HG13 VAL 20 3HG1 VAL 20 10.699 -9.502 -17.456
123 HG21 VAL 20 3HG2 VAL 20 7.429 -11.331 -19.240
124 HG22 VAL 20 1HG2 VAL 20 9.031 -12.031 -19.008
125 HG23 VAL 20 2HG2 VAL 20 7.857 -12.061 -17.692
126 H ASP 21 H ASP 21 10.555 -9.384 -15.305
127 HA ASP 21 HA ASP 21 10.999 -12.154 -14.403
128 HB2 ASP 21 1HB ASP 21 12.688 -10.563 -15.902
129 HB3 ASP 21 2HB ASP 21 13.315 -10.375 -14.266
130 H LEU 22 H LEU 22 9.978 -9.216 -13.355
131 HA LEU 22 HA LEU 22 11.291 -8.553 -11.059
132 HB2 LEU 22 1HB LEU 22 8.896 -7.879 -12.202
133 HB3 LEU 22 2HB LEU 22 8.389 -8.634 -10.692
134 HG LEU 22 HG LEU 22 10.091 -7.006 -9.599
135 HD11 LEU 22 1HD1 LEU 22 9.485 -5.058 -11.678
136 HD12 LEU 22 2HD1 LEU 22 10.569 -6.339 -12.218
137 HD13 LEU 22 3HD1 LEU 22 10.990 -5.363 -10.810
138 HD21 LEU 22 3HD2 LEU 22 7.477 -7.017 -9.669
139 HD22 LEU 22 1HD2 LEU 22 7.700 -5.620 -10.723
140 HD23 LEU 22 2HD2 LEU 22 8.348 -5.598 -9.082
141 H LEU 23 H LEU 23 10.839 -9.011 -8.791
142 HA LEU 23 HA LEU 23 9.748 -11.683 -8.277
143 HB2 LEU 23 1HB LEU 23 12.012 -12.209 -8.370
144 HB3 LEU 23 2HB LEU 23 12.493 -10.686 -7.624
145 HG LEU 23 HG LEU 23 10.927 -12.607 -5.980
146 HD11 LEU 23 1HD1 LEU 23 12.400 -14.214 -6.716
147 HD12 LEU 23 2HD1 LEU 23 13.273 -13.544 -5.339
148 HD13 LEU 23 3HD1 LEU 23 13.704 -13.056 -6.978
149 HD21 LEU 23 3HD2 LEU 23 11.407 -10.774 -4.720
150 HD22 LEU 23 1HD2 LEU 23 12.888 -10.412 -5.606
151 HD23 LEU 23 2HD2 LEU 23 12.871 -11.708 -4.410
152 H CYS 24 H CYS 24 10.143 -8.432 -7.400
153 HA CYS 24 HA CYS 24 9.079 -8.915 -4.702
154 HB2 CYS 24 1HB CYS 24 9.825 -6.161 -5.402
155 HB3 CYS 24 2HB CYS 24 10.227 -7.110 -3.974
156 H ILE 25 H ILE 25 7.557 -7.104 -3.951
157 HA ILE 25 HA ILE 25 5.633 -6.530 -6.110
158 HB ILE 25 HB ILE 25 5.010 -7.074 -3.205
159 HG12 ILE 25 1HG1 ILE 25 4.454 -8.758 -5.657
160 HG13 ILE 25 2HG1 ILE 25 5.717 -9.084 -4.475
161 HG21 ILE 25 1HG2 ILE 25 3.031 -6.145 -3.571
162 HG22 ILE 25 2HG2 ILE 25 3.544 -5.703 -5.199
163 HG23 ILE 25 3HG2 ILE 25 2.745 -7.250 -4.915
164 HD11 ILE 25 3HD1 ILE 25 4.194 -10.406 -3.528
165 HD12 ILE 25 1HD1 ILE 25 3.511 -8.909 -2.893
166 HD13 ILE 25 2HD1 ILE 25 2.853 -9.624 -4.365
167 H VAL 26 H VAL 26 7.105 -5.383 -3.122
168 HA VAL 26 HA VAL 26 5.822 -2.783 -3.373
169 HB VAL 26 HB VAL 26 6.204 -3.944 -1.146
170 HG11 VAL 26 1HG1 VAL 26 8.623 -4.505 -1.816
171 HG12 VAL 26 2HG1 VAL 26 8.990 -2.851 -1.321
172 HG13 VAL 26 3HG1 VAL 26 8.314 -3.992 -0.158
173 HG21 VAL 26 3HG2 VAL 26 6.150 -1.934 -0.080
174 HG22 VAL 26 1HG2 VAL 26 7.512 -1.287 -0.996
175 HG23 VAL 26 2HG2 VAL 26 5.910 -1.363 -1.732
176 H HIS 27 H HIS 27 8.037 -3.997 -5.174
177 HA HIS 27 HA HIS 27 10.393 -2.539 -4.899
178 HB2 HIS 27 1HB HIS 27 10.900 -3.160 -7.124
179 HB3 HIS 27 2HB HIS 27 9.900 -4.468 -6.497
180 HD1 HIS 27 HD1 HIS 27 10.306 -3.366 -9.562
181 HD2 HIS 27 HD2 HIS 27 6.967 -3.032 -7.112
182 HE1 HIS 27 HE1 HIS 27 8.357 -3.051 -11.121
183 H VAL 28 H VAL 28 10.912 -1.065 -7.087
184 HA VAL 28 HA VAL 28 8.977 1.155 -6.938
185 HB VAL 28 HB VAL 28 11.981 1.214 -6.919
186 HG11 VAL 28 1HG1 VAL 28 11.463 2.730 -8.669
187 HG12 VAL 28 2HG1 VAL 28 10.106 3.411 -7.769
188 HG13 VAL 28 3HG1 VAL 28 11.760 3.703 -7.229
189 HG21 VAL 28 3HG2 VAL 28 11.684 2.634 -4.999
190 HG22 VAL 28 1HG2 VAL 28 9.941 2.695 -5.264
191 HG23 VAL 28 2HG2 VAL 28 10.708 1.180 -4.786
192 H THR 29 H THR 29 8.451 2.212 -8.810
193 HA THR 29 HA THR 29 9.718 1.280 -11.296
194 HB THR 29 HB THR 29 7.300 1.571 -12.276
195 HG1 THR 29 HG1 THR 29 6.446 2.243 -10.191
196 HG21 THR 29 3HG2 THR 29 7.957 -0.556 -12.623
197 HG22 THR 29 1HG2 THR 29 6.926 -0.919 -11.240
198 HG23 THR 29 2HG2 THR 29 8.662 -0.705 -11.013
199 H VAL 30 H VAL 30 10.357 3.652 -9.984
200 HA VAL 30 HA VAL 30 8.995 5.730 -11.557
201 HB VAL 30 HB VAL 30 10.866 6.163 -9.231
202 HG11 VAL 30 1HG1 VAL 30 9.180 8.286 -9.318
203 HG12 VAL 30 2HG1 VAL 30 10.766 8.240 -10.090
204 HG13 VAL 30 3HG1 VAL 30 9.316 7.890 -11.031
205 HG21 VAL 30 3HG2 VAL 30 8.928 4.845 -8.510
206 HG22 VAL 30 1HG2 VAL 30 8.891 6.476 -7.841
207 HG23 VAL 30 2HG2 VAL 30 7.850 6.057 -9.201
208 H GLY 31 H GLY 31 10.110 7.067 -12.926
209 HA2 GLY 31 1HA GLY 31 11.934 7.961 -14.059
210 HA3 GLY 31 2HA GLY 31 13.000 6.997 -13.047
211 H CYS 32 H CYS 32 10.911 4.772 -13.996
212 HA CYS 32 HA CYS 32 12.574 3.989 -16.278
213 HB2 CYS 32 1HB CYS 32 10.943 2.509 -14.265
214 HB3 CYS 32 2HB CYS 32 11.159 1.781 -15.854
215 H SER 33 H SER 33 11.167 2.433 -17.805
216 HA SER 33 HA SER 33 9.155 4.196 -18.946
217 HB2 SER 33 1HB SER 33 10.539 1.710 -19.956
218 HB3 SER 33 2HB SER 33 9.212 2.476 -20.830
219 HG SER 33 HG SER 33 10.445 4.248 -21.172
220 H GLY 34 H GLY 34 7.044 3.508 -19.517
221 HA2 GLY 34 1HA GLY 34 5.653 2.125 -17.539
222 HA3 GLY 34 2HA GLY 34 5.033 2.467 -19.147
223 H GLY 35 H GLY 35 6.303 0.081 -17.031
224 HA2 GLY 35 1HA GLY 35 5.422 -2.194 -17.706
225 HA3 GLY 35 2HA GLY 35 6.263 -1.899 -19.221
226 H PHE 36 H PHE 36 8.226 -0.485 -17.109
227 HA PHE 36 HA PHE 36 9.624 -2.960 -16.357
228 HB2 PHE 36 1HB PHE 36 10.961 -0.495 -17.489
229 HB3 PHE 36 2HB PHE 36 11.755 -1.993 -17.015
230 HD1 PHE 36 HD1 PHE 36 9.379 -0.518 -19.433
231 HD2 PHE 36 HD2 PHE 36 11.924 -3.800 -18.503
232 HE1 PHE 36 HE1 PHE 36 9.083 -1.389 -21.715
233 HE2 PHE 36 HE2 PHE 36 11.633 -4.677 -20.783
234 HZ PHE 36 HZ PHE 36 10.210 -3.472 -22.392
235 H GLY 37 H GLY 37 10.336 -3.016 -14.312
236 HA2 GLY 37 1HA GLY 37 10.356 -0.470 -12.809
237 HA3 GLY 37 2HA GLY 37 9.759 -1.974 -12.125
238 H CYS 38 H CYS 38 11.392 -1.236 -10.456
239 HA CYS 38 HA CYS 38 13.900 -2.637 -10.988
240 HB2 CYS 38 1HB CYS 38 13.923 0.054 -9.630
241 HB3 CYS 38 2HB CYS 38 15.295 -0.879 -10.219
242 H CYS 39 H CYS 39 14.794 -3.630 -9.209
243 HA CYS 39 HA CYS 39 13.216 -3.458 -6.725
244 HB2 CYS 39 1HB CYS 39 14.209 -5.750 -8.284
245 HB3 CYS 39 2HB CYS 39 14.494 -5.868 -6.550
246 H ARG 40 H ARG 40 14.425 -3.989 -4.734
247 HA ARG 40 HA ARG 40 16.661 -2.354 -4.410
248 HB2 ARG 40 1HB ARG 40 15.839 -4.695 -2.682
249 HB3 ARG 40 2HB ARG 40 16.889 -3.369 -2.201
250 HG2 ARG 40 1HG ARG 40 14.075 -2.889 -3.113
251 HG3 ARG 40 2HG ARG 40 14.455 -3.306 -1.440
252 HD2 ARG 40 1HD ARG 40 15.675 -0.992 -2.938
253 HD3 ARG 40 2HD ARG 40 14.278 -0.857 -1.871
254 HE ARG 40 HE ARG 40 15.674 -1.271 -0.026
255 HH11 ARG 40 1HH1 ARG 40 17.416 -1.225 -3.040
256 HH12 ARG 40 2HH1 ARG 40 18.968 -1.042 -2.291
257 HH21 ARG 40 1HH2 ARG 40 17.711 -1.029 0.972
258 HH22 ARG 40 2HH2 ARG 40 19.134 -0.931 -0.009
259 H ILE 41 H ILE 41 18.498 -2.664 -5.510
260 HA ILE 41 HA ILE 41 19.531 -5.353 -5.927
261 HB ILE 41 HB ILE 41 20.596 -2.690 -6.875
262 HG12 ILE 41 1HG1 ILE 41 19.024 -4.848 -8.300
263 HG13 ILE 41 2HG1 ILE 41 18.447 -3.236 -7.889
264 HG21 ILE 41 1HG2 ILE 41 22.364 -4.354 -6.661
265 HG22 ILE 41 2HG2 ILE 41 21.420 -5.493 -7.621
266 HG23 ILE 41 3HG2 ILE 41 22.026 -4.009 -8.357
267 HD11 ILE 41 3HD1 ILE 41 18.979 -3.208 -10.183
268 HD12 ILE 41 1HD1 ILE 41 20.274 -2.335 -9.364
269 HD13 ILE 41 2HD1 ILE 41 20.534 -3.993 -9.908
270 H GLY 42 H GLY 42 20.701 -2.275 -4.552
271 HA2 GLY 42 1HA GLY 42 22.934 -3.658 -3.295
272 HA3 GLY 42 2HA GLY 42 22.644 -1.925 -3.290
Start of MODEL 4
1 H1 ASP 1 1H ASP 1 1.352 -0.466 -2.214
2 HA ASP 1 HA ASP 1 3.554 0.574 -3.876
3 HB2 ASP 1 1HB ASP 1 0.579 1.057 -4.118
4 HB3 ASP 1 2HB ASP 1 1.795 1.978 -4.999
5 H ASP 2 H ASP 2 4.249 1.148 -1.565
6 HA ASP 2 HA ASP 2 3.437 3.913 -1.089
7 HB2 ASP 2 1HB ASP 2 3.529 3.353 1.438
8 HB3 ASP 2 2HB ASP 2 2.073 2.936 0.538
9 H THR 3 H THR 3 5.695 3.389 -2.348
10 HA THR 3 HA THR 3 7.887 3.117 -0.457
11 HB THR 3 HB THR 3 9.187 3.660 -2.716
12 HG1 THR 3 HG1 THR 3 7.264 4.063 -3.912
13 HG21 THR 3 3HG2 THR 3 8.643 1.071 -3.241
14 HG22 THR 3 1HG2 THR 3 8.053 1.179 -1.583
15 HG23 THR 3 2HG2 THR 3 9.727 1.596 -1.953
16 HA PRO 4 HA PRO 4 8.787 7.378 0.083
17 HB2 PRO 4 1HB PRO 4 11.501 7.401 0.051
18 HB3 PRO 4 2HB PRO 4 10.562 6.735 1.393
19 HG2 PRO 4 1HG PRO 4 11.891 5.310 -0.880
20 HG3 PRO 4 2HG PRO 4 11.850 4.880 0.840
21 HD2 PRO 4 1HD PRO 4 10.245 3.702 -0.995
22 HD3 PRO 4 2HD PRO 4 9.743 3.959 0.689
23 H SER 5 H SER 5 10.578 9.070 -0.823
24 HA SER 5 HA SER 5 9.896 9.373 -3.601
25 HB2 SER 5 1HB SER 5 11.205 11.506 -3.400
26 HB3 SER 5 2HB SER 5 9.901 11.352 -2.223
27 HG SER 5 HG SER 5 11.421 11.730 -0.823
28 H SER 6 H SER 6 11.114 7.223 -3.964
29 HA SER 6 HA SER 6 13.976 7.711 -4.410
30 HB2 SER 6 1HB SER 6 12.511 5.069 -4.561
31 HB3 SER 6 2HB SER 6 14.255 5.322 -4.509
32 HG SER 6 HG SER 6 14.157 5.543 -2.415
33 H ARG 7 H ARG 7 14.473 5.840 -6.374
34 HA ARG 7 HA ARG 7 12.781 5.933 -8.607
35 HB2 ARG 7 1HB ARG 7 13.217 8.313 -8.654
36 HB3 ARG 7 2HB ARG 7 14.951 8.035 -8.562
37 HG2 ARG 7 1HG ARG 7 14.867 6.932 -10.762
38 HG3 ARG 7 2HG ARG 7 13.144 7.301 -10.854
39 HD2 ARG 7 1HD ARG 7 14.334 9.728 -10.229
40 HD3 ARG 7 2HD ARG 7 15.436 8.991 -11.391
41 HE ARG 7 HE ARG 7 13.836 9.229 -13.027
42 HH11 ARG 7 1HH1 ARG 7 12.436 9.867 -9.904
43 HH12 ARG 7 2HH1 ARG 7 10.957 10.496 -10.550
44 HH21 ARG 7 1HH2 ARG 7 11.893 10.055 -13.890
45 HH22 ARG 7 2HH2 ARG 7 10.648 10.602 -12.818
46 H CYS 8 H CYS 8 13.660 4.869 -10.427
47 HA CYS 8 HA CYS 8 15.568 2.895 -9.849
48 HB2 CYS 8 1HB CYS 8 14.519 3.878 -12.510
49 HB3 CYS 8 2HB CYS 8 15.497 2.428 -12.305
50 H GLY 9 H GLY 9 17.689 3.107 -9.626
51 HA2 GLY 9 1HA GLY 9 19.869 3.647 -10.192
52 HA3 GLY 9 2HA GLY 9 19.254 4.522 -11.586
53 H SER 10 H SER 10 18.124 5.152 -8.342
54 HA SER 10 HA SER 10 19.550 7.731 -8.409
55 HB2 SER 10 1HB SER 10 16.749 7.058 -7.534
56 HB3 SER 10 2HB SER 10 17.564 8.508 -6.947
57 HG SER 10 HG SER 10 17.206 9.413 -8.802
58 H GLY 11 H GLY 11 19.046 4.830 -6.734
59 HA2 GLY 11 1HA GLY 11 20.781 5.724 -4.587
60 HA3 GLY 11 2HA GLY 11 19.161 5.264 -4.085
61 H GLY 12 H GLY 12 18.503 3.088 -4.266
62 HA2 GLY 12 1HA GLY 12 20.778 1.218 -4.479
63 HA3 GLY 12 2HA GLY 12 19.374 0.968 -3.452
64 H TRP 13 H TRP 13 17.997 2.181 -6.073
65 HA TRP 13 HA TRP 13 17.282 -0.441 -7.082
66 HB2 TRP 13 1HB TRP 13 16.255 2.183 -8.144
67 HB3 TRP 13 2HB TRP 13 15.463 0.610 -8.153
68 HD1 TRP 13 HD1 TRP 13 15.988 3.680 -5.994
69 HE1 TRP 13 HE1 TRP 13 14.515 3.496 -3.892
70 HE3 TRP 13 HE3 TRP 13 14.432 -1.162 -6.516
71 HZ2 TRP 13 HZ2 TRP 13 12.906 1.554 -2.622
72 HZ3 TRP 13 HZ3 TRP 13 12.928 -2.107 -4.814
73 HH2 TRP 13 HH2 TRP 13 12.182 -0.776 -2.908
74 H GLY 14 H GLY 14 17.836 -1.290 -9.019
75 HA2 GLY 14 1HA GLY 14 20.118 -0.388 -10.364
76 HA3 GLY 14 2HA GLY 14 18.979 -1.572 -10.988
77 HA PRO 15 HA PRO 15 18.887 2.219 -13.692
78 HB2 PRO 15 1HB PRO 15 19.217 0.871 -16.025
79 HB3 PRO 15 2HB PRO 15 20.573 1.433 -15.040
80 HG2 PRO 15 1HG PRO 15 19.352 -1.295 -15.200
81 HG3 PRO 15 2HG PRO 15 21.064 -0.837 -15.147
82 HD2 PRO 15 1HD PRO 15 19.725 -1.727 -12.968
83 HD3 PRO 15 2HD PRO 15 21.044 -0.543 -12.861
84 H CYS 16 H CYS 16 17.617 -0.977 -14.663
85 HA CYS 16 HA CYS 16 14.912 -0.304 -14.402
86 HB2 CYS 16 1HB CYS 16 16.174 0.603 -16.866
87 HB3 CYS 16 2HB CYS 16 14.826 -0.487 -17.175
88 H LEU 17 H LEU 17 13.893 -2.182 -14.202
89 HA LEU 17 HA LEU 17 14.884 -4.495 -15.731
90 HB2 LEU 17 1HB LEU 17 15.620 -4.808 -13.490
91 HB3 LEU 17 2HB LEU 17 14.043 -4.357 -12.846
92 HG LEU 17 HG LEU 17 13.416 -6.538 -14.361
93 HD11 LEU 17 1HD1 LEU 17 15.035 -8.257 -13.969
94 HD12 LEU 17 2HD1 LEU 17 16.061 -7.151 -13.056
95 HD13 LEU 17 3HD1 LEU 17 15.836 -6.917 -14.790
96 HD21 LEU 17 3HD2 LEU 17 14.029 -7.552 -11.836
97 HD22 LEU 17 1HD2 LEU 17 12.487 -6.887 -12.373
98 HD23 LEU 17 2HD2 LEU 17 13.665 -5.846 -11.574
99 HA PRO 18 HA PRO 18 10.721 -4.887 -17.122
100 HB2 PRO 18 1HB PRO 18 10.811 -7.473 -17.943
101 HB3 PRO 18 2HB PRO 18 11.578 -6.155 -18.836
102 HG2 PRO 18 1HG PRO 18 12.802 -8.124 -16.942
103 HG3 PRO 18 2HG PRO 18 13.415 -7.540 -18.500
104 HD2 PRO 18 1HD PRO 18 14.316 -6.587 -16.131
105 HD3 PRO 18 2HD PRO 18 14.223 -5.582 -17.591
106 H ILE 19 H ILE 19 8.944 -5.132 -15.934
107 HA ILE 19 HA ILE 19 8.833 -6.442 -13.476
108 HB ILE 19 HB ILE 19 6.479 -5.866 -15.276
109 HG12 ILE 19 1HG1 ILE 19 7.836 -4.087 -13.238
110 HG13 ILE 19 2HG1 ILE 19 7.876 -3.867 -14.984
111 HG21 ILE 19 1HG2 ILE 19 5.258 -6.704 -13.625
112 HG22 ILE 19 2HG2 ILE 19 6.709 -7.015 -12.674
113 HG23 ILE 19 3HG2 ILE 19 5.891 -5.458 -12.550
114 HD11 ILE 19 3HD1 ILE 19 5.938 -2.971 -13.086
115 HD12 ILE 19 1HD1 ILE 19 6.082 -2.594 -14.803
116 HD13 ILE 19 2HD1 ILE 19 5.169 -4.012 -14.284
117 H VAL 20 H VAL 20 8.582 -7.697 -16.655
118 HA VAL 20 HA VAL 20 6.960 -9.937 -16.278
119 HB VAL 20 HB VAL 20 7.868 -9.100 -18.475
120 HG11 VAL 20 1HG1 VAL 20 10.028 -9.316 -19.077
121 HG12 VAL 20 2HG1 VAL 20 10.305 -9.350 -17.335
122 HG13 VAL 20 3HG1 VAL 20 10.216 -10.859 -18.244
123 HG21 VAL 20 3HG2 VAL 20 6.864 -11.019 -19.024
124 HG22 VAL 20 1HG2 VAL 20 8.480 -11.726 -19.043
125 HG23 VAL 20 2HG2 VAL 20 7.481 -11.847 -17.594
126 H ASP 21 H ASP 21 10.161 -9.275 -15.177
127 HA ASP 21 HA ASP 21 10.452 -12.073 -14.300
128 HB2 ASP 21 1HB ASP 21 12.220 -11.231 -15.857
129 HB3 ASP 21 2HB ASP 21 12.652 -10.026 -14.646
130 H LEU 22 H LEU 22 9.588 -9.093 -13.228
131 HA LEU 22 HA LEU 22 10.925 -8.525 -10.921
132 HB2 LEU 22 1HB LEU 22 8.572 -7.714 -12.066
133 HB3 LEU 22 2HB LEU 22 8.025 -8.446 -10.559
134 HG LEU 22 HG LEU 22 9.803 -6.920 -9.453
135 HD11 LEU 22 1HD1 LEU 22 9.346 -4.929 -11.524
136 HD12 LEU 22 2HD1 LEU 22 10.339 -6.279 -12.073
137 HD13 LEU 22 3HD1 LEU 22 10.824 -5.346 -10.657
138 HD21 LEU 22 3HD2 LEU 22 7.199 -6.769 -9.539
139 HD22 LEU 22 1HD2 LEU 22 7.508 -5.399 -10.607
140 HD23 LEU 22 2HD2 LEU 22 8.147 -5.396 -8.963
141 H LEU 23 H LEU 23 10.518 -9.010 -8.674
142 HA LEU 23 HA LEU 23 9.218 -11.588 -8.167
143 HB2 LEU 23 1HB LEU 23 11.413 -12.320 -8.321
144 HB3 LEU 23 2HB LEU 23 12.058 -10.845 -7.605
145 HG LEU 23 HG LEU 23 10.394 -12.621 -5.895
146 HD11 LEU 23 1HD1 LEU 23 11.915 -14.153 -7.086
147 HD12 LEU 23 2HD1 LEU 23 12.272 -14.038 -5.363
148 HD13 LEU 23 3HD1 LEU 23 13.284 -13.190 -6.532
149 HD21 LEU 23 3HD2 LEU 23 11.062 -10.831 -4.660
150 HD22 LEU 23 1HD2 LEU 23 12.535 -10.589 -5.599
151 HD23 LEU 23 2HD2 LEU 23 12.458 -11.878 -4.397
152 H CYS 24 H CYS 24 9.938 -8.399 -7.246
153 HA CYS 24 HA CYS 24 8.970 -8.826 -4.508
154 HB2 CYS 24 1HB CYS 24 9.802 -6.115 -5.340
155 HB3 CYS 24 2HB CYS 24 10.170 -7.006 -3.867
156 H ILE 25 H ILE 25 7.653 -6.793 -3.723
157 HA ILE 25 HA ILE 25 5.595 -6.206 -5.749
158 HB ILE 25 HB ILE 25 5.060 -6.659 -2.813
159 HG12 ILE 25 1HG1 ILE 25 4.484 -8.495 -5.148
160 HG13 ILE 25 2HG1 ILE 25 5.772 -8.736 -3.973
161 HG21 ILE 25 1HG2 ILE 25 2.971 -5.970 -3.185
162 HG22 ILE 25 2HG2 ILE 25 3.584 -5.291 -4.693
163 HG23 ILE 25 3HG2 ILE 25 2.847 -6.893 -4.683
164 HD11 ILE 25 3HD1 ILE 25 3.930 -10.145 -3.408
165 HD12 ILE 25 1HD1 ILE 25 4.048 -8.867 -2.199
166 HD13 ILE 25 2HD1 ILE 25 2.812 -8.782 -3.454
167 H VAL 26 H VAL 26 7.296 -5.137 -2.858
168 HA VAL 26 HA VAL 26 6.102 -2.487 -3.014
169 HB VAL 26 HB VAL 26 6.580 -3.677 -0.820
170 HG11 VAL 26 1HG1 VAL 26 9.375 -2.666 -1.059
171 HG12 VAL 26 2HG1 VAL 26 8.717 -3.923 -0.009
172 HG13 VAL 26 3HG1 VAL 26 8.971 -4.248 -1.725
173 HG21 VAL 26 3HG2 VAL 26 8.002 -1.081 -0.726
174 HG22 VAL 26 1HG2 VAL 26 6.367 -1.077 -1.386
175 HG23 VAL 26 2HG2 VAL 26 6.657 -1.674 0.248
176 H HIS 27 H HIS 27 8.151 -3.779 -4.955
177 HA HIS 27 HA HIS 27 10.571 -2.404 -4.823
178 HB2 HIS 27 1HB HIS 27 10.927 -3.054 -7.067
179 HB3 HIS 27 2HB HIS 27 9.916 -4.321 -6.380
180 HD1 HIS 27 HD1 HIS 27 10.194 -3.221 -9.467
181 HD2 HIS 27 HD2 HIS 27 7.005 -2.802 -6.838
182 HE1 HIS 27 HE1 HIS 27 8.174 -2.843 -10.916
183 H VAL 28 H VAL 28 10.999 -0.962 -7.059
184 HA VAL 28 HA VAL 28 9.153 1.324 -6.805
185 HB VAL 28 HB VAL 28 12.150 1.271 -6.929
186 HG11 VAL 28 1HG1 VAL 28 10.339 3.517 -7.787
187 HG12 VAL 28 2HG1 VAL 28 12.023 3.758 -7.314
188 HG13 VAL 28 3HG1 VAL 28 11.632 2.752 -8.709
189 HG21 VAL 28 3HG2 VAL 28 10.205 2.843 -5.240
190 HG22 VAL 28 1HG2 VAL 28 11.022 1.360 -4.745
191 HG23 VAL 28 2HG2 VAL 28 11.960 2.819 -5.067
192 H THR 29 H THR 29 8.569 2.406 -8.651
193 HA THR 29 HA THR 29 9.660 1.433 -11.201
194 HB THR 29 HB THR 29 7.179 1.775 -12.026
195 HG1 THR 29 HG1 THR 29 5.977 2.212 -10.316
196 HG21 THR 29 3HG2 THR 29 7.835 -0.342 -12.464
197 HG22 THR 29 1HG2 THR 29 6.850 -0.734 -11.056
198 HG23 THR 29 2HG2 THR 29 8.595 -0.543 -10.885
199 H VAL 30 H VAL 30 10.433 3.789 -9.969
200 HA VAL 30 HA VAL 30 9.026 5.871 -11.505
201 HB VAL 30 HB VAL 30 10.925 6.357 -9.216
202 HG11 VAL 30 1HG1 VAL 30 10.311 8.163 -10.925
203 HG12 VAL 30 2HG1 VAL 30 8.709 8.134 -10.184
204 HG13 VAL 30 3HG1 VAL 30 10.123 8.553 -9.216
205 HG21 VAL 30 3HG2 VAL 30 9.381 5.474 -7.863
206 HG22 VAL 30 1HG2 VAL 30 8.389 6.876 -8.267
207 HG23 VAL 30 2HG2 VAL 30 8.189 5.367 -9.159
208 H GLY 31 H GLY 31 10.117 7.130 -12.943
209 HA2 GLY 31 1HA GLY 31 11.930 8.017 -14.101
210 HA3 GLY 31 2HA GLY 31 13.009 7.112 -13.050
211 H CYS 32 H CYS 32 10.940 4.830 -13.937
212 HA CYS 32 HA CYS 32 12.651 3.956 -16.144
213 HB2 CYS 32 1HB CYS 32 10.977 2.583 -14.107
214 HB3 CYS 32 2HB CYS 32 11.132 1.799 -15.675
215 H SER 33 H SER 33 11.257 2.352 -17.651
216 HA SER 33 HA SER 33 9.393 4.112 -18.995
217 HB2 SER 33 1HB SER 33 9.708 1.396 -20.072
218 HB3 SER 33 2HB SER 33 9.915 2.957 -20.868
219 HG SER 33 HG SER 33 11.893 1.850 -20.723
220 H GLY 34 H GLY 34 7.280 3.379 -19.729
221 HA2 GLY 34 1HA GLY 34 5.705 2.375 -17.617
222 HA3 GLY 34 2HA GLY 34 5.164 2.617 -19.272
223 H GLY 35 H GLY 35 6.408 0.344 -16.954
224 HA2 GLY 35 1HA GLY 35 5.332 -1.922 -17.357
225 HA3 GLY 35 2HA GLY 35 6.093 -1.819 -18.938
226 H PHE 36 H PHE 36 8.170 -0.351 -16.876
227 HA PHE 36 HA PHE 36 9.531 -2.855 -16.149
228 HB2 PHE 36 1HB PHE 36 10.902 -0.412 -17.290
229 HB3 PHE 36 2HB PHE 36 11.670 -1.931 -16.838
230 HD1 PHE 36 HD1 PHE 36 9.285 -0.390 -19.207
231 HD2 PHE 36 HD2 PHE 36 11.781 -3.728 -18.343
232 HE1 PHE 36 HE1 PHE 36 8.934 -1.238 -21.489
233 HE2 PHE 36 HE2 PHE 36 11.435 -4.581 -20.625
234 HZ PHE 36 HZ PHE 36 10.011 -3.336 -22.201
235 H GLY 37 H GLY 37 10.250 -2.932 -14.109
236 HA2 GLY 37 1HA GLY 37 10.350 -0.389 -12.604
237 HA3 GLY 37 2HA GLY 37 9.728 -1.882 -11.915
238 H CYS 38 H CYS 38 11.388 -1.208 -10.259
239 HA CYS 38 HA CYS 38 13.821 -2.716 -10.769
240 HB2 CYS 38 1HB CYS 38 15.132 -0.776 -9.652
241 HB3 CYS 38 2HB CYS 38 14.730 -0.650 -11.362
242 H CYS 39 H CYS 39 14.713 -3.618 -8.941
243 HA CYS 39 HA CYS 39 13.236 -3.150 -6.434
244 HB2 CYS 39 1HB CYS 39 13.240 -5.474 -7.801
245 HB3 CYS 39 2HB CYS 39 14.670 -5.719 -6.804
246 H ARG 40 H ARG 40 14.517 -3.776 -4.455
247 HA ARG 40 HA ARG 40 16.854 -2.236 -4.305
248 HB2 ARG 40 1HB ARG 40 15.945 -4.424 -2.425
249 HB3 ARG 40 2HB ARG 40 17.114 -3.163 -2.055
250 HG2 ARG 40 1HG ARG 40 14.320 -2.484 -2.888
251 HG3 ARG 40 2HG ARG 40 14.709 -2.889 -1.215
252 HD2 ARG 40 1HD ARG 40 16.213 -0.785 -2.742
253 HD3 ARG 40 2HD ARG 40 14.729 -0.420 -1.864
254 HE ARG 40 HE ARG 40 16.068 -1.495 0.089
255 HH11 ARG 40 1HH1 ARG 40 17.317 0.564 -2.425
256 HH12 ARG 40 2HH1 ARG 40 18.588 1.213 -1.443
257 HH21 ARG 40 1HH2 ARG 40 17.738 -0.648 1.393
258 HH22 ARG 40 2HH2 ARG 40 18.827 0.522 0.728
259 H ILE 41 H ILE 41 18.805 -2.660 -5.074
260 HA ILE 41 HA ILE 41 19.616 -5.470 -5.406
261 HB ILE 41 HB ILE 41 20.653 -3.010 -6.819
262 HG12 ILE 41 1HG1 ILE 41 19.298 -5.299 -8.183
263 HG13 ILE 41 2HG1 ILE 41 18.307 -4.113 -7.341
264 HG21 ILE 41 1HG2 ILE 41 21.394 -5.916 -7.122
265 HG22 ILE 41 2HG2 ILE 41 21.895 -4.630 -8.219
266 HG23 ILE 41 3HG2 ILE 41 22.430 -4.613 -6.538
267 HD11 ILE 41 3HD1 ILE 41 19.886 -3.855 -9.820
268 HD12 ILE 41 1HD1 ILE 41 18.332 -3.148 -9.380
269 HD13 ILE 41 2HD1 ILE 41 19.827 -2.450 -8.757
270 H GLY 42 H GLY 42 20.961 -2.267 -4.594
271 HA2 GLY 42 1HA GLY 42 22.574 -3.506 -2.507
272 HA3 GLY 42 2HA GLY 42 23.462 -2.732 -3.811
Start of MODEL 5
1 H1 ASP 1 1H ASP 1 0.669 1.413 2.979
2 HA ASP 1 HA ASP 1 2.063 -0.072 0.897
3 HB2 ASP 1 1HB ASP 1 -0.759 0.924 1.221
4 HB3 ASP 1 2HB ASP 1 -0.171 0.333 -0.331
5 H ASP 2 H ASP 2 3.644 1.833 0.915
6 HA ASP 2 HA ASP 2 3.315 3.294 -1.466
7 HB2 ASP 2 1HB ASP 2 1.875 4.493 0.480
8 HB3 ASP 2 2HB ASP 2 3.436 5.267 0.739
9 H THR 3 H THR 3 5.312 3.442 -2.218
10 HA THR 3 HA THR 3 7.581 3.142 -0.477
11 HB THR 3 HB THR 3 8.635 3.794 -2.931
12 HG1 THR 3 HG1 THR 3 7.298 3.085 -4.491
13 HG21 THR 3 3HG2 THR 3 7.714 0.999 -2.370
14 HG22 THR 3 1HG2 THR 3 8.922 1.762 -1.336
15 HG23 THR 3 2HG2 THR 3 9.240 1.554 -3.059
16 HA PRO 4 HA PRO 4 8.778 7.325 0.095
17 HB2 PRO 4 1HB PRO 4 11.482 7.183 -0.110
18 HB3 PRO 4 2HB PRO 4 10.588 6.543 1.274
19 HG2 PRO 4 1HG PRO 4 11.681 5.097 -1.108
20 HG3 PRO 4 2HG PRO 4 11.721 4.627 0.602
21 HD2 PRO 4 1HD PRO 4 9.933 3.596 -1.151
22 HD3 PRO 4 2HD PRO 4 9.555 3.840 0.566
23 H SER 5 H SER 5 10.512 8.979 -0.879
24 HA SER 5 HA SER 5 9.745 9.304 -3.638
25 HB2 SER 5 1HB SER 5 10.052 11.125 -1.762
26 HB3 SER 5 2HB SER 5 11.735 11.090 -2.286
27 HG SER 5 HG SER 5 9.455 11.640 -3.883
28 H SER 6 H SER 6 11.037 7.112 -3.889
29 HA SER 6 HA SER 6 13.869 7.622 -4.400
30 HB2 SER 6 1HB SER 6 12.357 5.013 -4.648
31 HB3 SER 6 2HB SER 6 14.107 5.227 -4.620
32 HG SER 6 HG SER 6 13.705 4.759 -2.566
33 H ARG 7 H ARG 7 14.364 5.838 -6.437
34 HA ARG 7 HA ARG 7 12.693 6.019 -8.675
35 HB2 ARG 7 1HB ARG 7 13.071 8.389 -8.664
36 HB3 ARG 7 2HB ARG 7 14.806 8.166 -8.484
37 HG2 ARG 7 1HG ARG 7 15.114 7.933 -10.679
38 HG3 ARG 7 2HG ARG 7 13.725 6.857 -10.850
39 HD2 ARG 7 1HD ARG 7 12.328 8.538 -11.413
40 HD3 ARG 7 2HD ARG 7 13.088 9.679 -10.303
41 HE ARG 7 HE ARG 7 13.695 9.301 -13.085
42 HH11 ARG 7 1HH1 ARG 7 14.924 10.384 -10.013
43 HH12 ARG 7 2HH1 ARG 7 16.116 11.430 -10.711
44 HH21 ARG 7 1HH2 ARG 7 15.260 10.675 -14.016
45 HH22 ARG 7 2HH2 ARG 7 16.305 11.596 -12.988
46 H CYS 8 H CYS 8 13.472 4.816 -10.369
47 HA CYS 8 HA CYS 8 15.418 2.916 -9.921
48 HB2 CYS 8 1HB CYS 8 14.254 4.019 -12.469
49 HB3 CYS 8 2HB CYS 8 15.453 2.730 -12.491
50 H GLY 9 H GLY 9 17.557 2.991 -9.785
51 HA2 GLY 9 1HA GLY 9 19.743 3.587 -10.206
52 HA3 GLY 9 2HA GLY 9 19.170 4.495 -11.597
53 H SER 10 H SER 10 18.012 5.037 -8.336
54 HA SER 10 HA SER 10 19.400 7.638 -8.350
55 HB2 SER 10 1HB SER 10 16.839 7.614 -8.597
56 HB3 SER 10 2HB SER 10 16.806 7.114 -6.906
57 HG SER 10 HG SER 10 17.485 9.561 -8.029
58 H GLY 11 H GLY 11 18.998 4.682 -6.757
59 HA2 GLY 11 1HA GLY 11 20.773 5.516 -4.636
60 HA3 GLY 11 2HA GLY 11 19.157 5.094 -4.088
61 H GLY 12 H GLY 12 18.420 2.933 -4.325
62 HA2 GLY 12 1HA GLY 12 20.647 1.010 -4.539
63 HA3 GLY 12 2HA GLY 12 19.205 0.771 -3.563
64 H TRP 13 H TRP 13 17.931 2.075 -6.186
65 HA TRP 13 HA TRP 13 17.205 -0.507 -7.292
66 HB2 TRP 13 1HB TRP 13 16.231 2.161 -8.292
67 HB3 TRP 13 2HB TRP 13 15.423 0.598 -8.368
68 HD1 TRP 13 HD1 TRP 13 15.868 3.619 -6.145
69 HE1 TRP 13 HE1 TRP 13 14.369 3.375 -4.067
70 HE3 TRP 13 HE3 TRP 13 14.424 -1.248 -6.752
71 HZ2 TRP 13 HZ2 TRP 13 12.785 1.383 -2.846
72 HZ3 TRP 13 HZ3 TRP 13 12.916 -2.247 -5.084
73 HH2 TRP 13 HH2 TRP 13 12.115 -0.958 -3.172
74 H GLY 14 H GLY 14 17.834 -1.313 -9.216
75 HA2 GLY 14 1HA GLY 14 20.136 -0.342 -10.491
76 HA3 GLY 14 2HA GLY 14 19.046 -1.553 -11.150
77 HA PRO 15 HA PRO 15 18.909 2.249 -13.833
78 HB2 PRO 15 1HB PRO 15 19.314 0.922 -16.166
79 HB3 PRO 15 2HB PRO 15 20.638 1.510 -15.153
80 HG2 PRO 15 1HG PRO 15 19.484 -1.245 -15.351
81 HG3 PRO 15 2HG PRO 15 21.184 -0.747 -15.263
82 HD2 PRO 15 1HD PRO 15 19.825 -1.680 -13.114
83 HD3 PRO 15 2HD PRO 15 21.114 -0.466 -12.976
84 H CYS 16 H CYS 16 17.742 -0.964 -14.875
85 HA CYS 16 HA CYS 16 15.010 -0.321 -14.670
86 HB2 CYS 16 1HB CYS 16 16.338 0.504 -17.134
87 HB3 CYS 16 2HB CYS 16 14.986 -0.584 -17.429
88 H LEU 17 H LEU 17 14.015 -2.206 -14.428
89 HA LEU 17 HA LEU 17 15.052 -4.548 -15.880
90 HB2 LEU 17 1HB LEU 17 15.787 -4.809 -13.639
91 HB3 LEU 17 2HB LEU 17 14.215 -4.333 -12.999
92 HG LEU 17 HG LEU 17 13.584 -6.561 -14.453
93 HD11 LEU 17 1HD1 LEU 17 16.101 -6.859 -14.750
94 HD12 LEU 17 2HD1 LEU 17 15.183 -8.242 -14.154
95 HD13 LEU 17 3HD1 LEU 17 16.132 -7.265 -13.034
96 HD21 LEU 17 3HD2 LEU 17 13.273 -5.722 -11.928
97 HD22 LEU 17 1HD2 LEU 17 14.443 -7.015 -11.663
98 HD23 LEU 17 2HD2 LEU 17 12.905 -7.366 -12.451
99 HA PRO 18 HA PRO 18 10.901 -5.041 -17.272
100 HB2 PRO 18 1HB PRO 18 11.025 -7.652 -18.006
101 HB3 PRO 18 2HB PRO 18 11.781 -6.355 -18.939
102 HG2 PRO 18 1HG PRO 18 13.019 -8.245 -16.976
103 HG3 PRO 18 2HG PRO 18 13.633 -7.706 -18.550
104 HD2 PRO 18 1HD PRO 18 14.511 -6.665 -16.210
105 HD3 PRO 18 2HD PRO 18 14.414 -5.710 -17.703
106 H ILE 19 H ILE 19 9.118 -5.275 -16.091
107 HA ILE 19 HA ILE 19 9.007 -6.493 -13.588
108 HB ILE 19 HB ILE 19 6.659 -6.032 -15.429
109 HG12 ILE 19 1HG1 ILE 19 7.986 -4.152 -13.465
110 HG13 ILE 19 2HG1 ILE 19 7.993 -3.992 -15.218
111 HG21 ILE 19 1HG2 ILE 19 6.856 -6.230 -12.427
112 HG22 ILE 19 2HG2 ILE 19 5.402 -5.797 -13.324
113 HG23 ILE 19 3HG2 ILE 19 6.108 -7.402 -13.511
114 HD11 ILE 19 3HD1 ILE 19 5.713 -3.628 -13.313
115 HD12 ILE 19 1HD1 ILE 19 6.375 -2.486 -14.482
116 HD13 ILE 19 2HD1 ILE 19 5.454 -3.884 -15.039
117 H VAL 20 H VAL 20 8.797 -7.873 -16.721
118 HA VAL 20 HA VAL 20 7.221 -10.132 -16.255
119 HB VAL 20 HB VAL 20 8.098 -9.355 -18.486
120 HG11 VAL 20 1HG1 VAL 20 10.260 -9.535 -19.089
121 HG12 VAL 20 2HG1 VAL 20 10.547 -9.515 -17.348
122 HG13 VAL 20 3HG1 VAL 20 10.486 -11.050 -18.215
123 HG21 VAL 20 3HG2 VAL 20 6.965 -11.513 -18.170
124 HG22 VAL 20 1HG2 VAL 20 8.200 -11.593 -19.426
125 HG23 VAL 20 2HG2 VAL 20 8.521 -12.270 -17.830
126 H ASP 21 H ASP 21 10.413 -9.359 -15.201
127 HA ASP 21 HA ASP 21 10.775 -12.117 -14.229
128 HB2 ASP 21 1HB ASP 21 12.633 -10.158 -15.397
129 HB3 ASP 21 2HB ASP 21 13.236 -10.955 -13.946
130 H LEU 22 H LEU 22 9.833 -9.129 -13.251
131 HA LEU 22 HA LEU 22 11.160 -8.446 -10.971
132 HB2 LEU 22 1HB LEU 22 8.786 -7.737 -12.131
133 HB3 LEU 22 2HB LEU 22 8.256 -8.448 -10.608
134 HG LEU 22 HG LEU 22 10.032 -6.834 -9.570
135 HD11 LEU 22 1HD1 LEU 22 9.341 -4.946 -11.698
136 HD12 LEU 22 2HD1 LEU 22 10.471 -6.210 -12.182
137 HD13 LEU 22 3HD1 LEU 22 10.852 -5.163 -10.815
138 HD21 LEU 22 3HD2 LEU 22 7.430 -6.835 -9.515
139 HD22 LEU 22 1HD2 LEU 22 7.590 -5.480 -10.633
140 HD23 LEU 22 2HD2 LEU 22 8.316 -5.389 -9.028
141 H LEU 23 H LEU 23 10.700 -8.840 -8.693
142 HA LEU 23 HA LEU 23 9.542 -11.471 -8.117
143 HB2 LEU 23 1HB LEU 23 11.793 -12.053 -8.196
144 HB3 LEU 23 2HB LEU 23 12.310 -10.526 -7.484
145 HG LEU 23 HG LEU 23 10.698 -12.372 -5.800
146 HD11 LEU 23 1HD1 LEU 23 13.400 -13.023 -5.370
147 HD12 LEU 23 2HD1 LEU 23 13.108 -13.192 -7.100
148 HD13 LEU 23 3HD1 LEU 23 12.107 -14.074 -5.948
149 HD21 LEU 23 3HD2 LEU 23 11.220 -10.527 -4.577
150 HD22 LEU 23 1HD2 LEU 23 12.706 -10.213 -5.473
151 HD23 LEU 23 2HD2 LEU 23 12.666 -11.484 -4.250
152 H CYS 24 H CYS 24 10.009 -8.210 -7.321
153 HA CYS 24 HA CYS 24 8.929 -8.605 -4.614
154 HB2 CYS 24 1HB CYS 24 9.751 -5.887 -5.354
155 HB3 CYS 24 2HB CYS 24 10.138 -6.830 -3.919
156 H ILE 25 H ILE 25 7.465 -6.721 -3.911
157 HA ILE 25 HA ILE 25 5.566 -6.140 -6.089
158 HB ILE 25 HB ILE 25 4.915 -6.604 -3.177
159 HG12 ILE 25 1HG1 ILE 25 4.319 -8.319 -5.598
160 HG13 ILE 25 2HG1 ILE 25 5.562 -8.662 -4.399
161 HG21 ILE 25 1HG2 ILE 25 3.118 -6.099 -5.545
162 HG22 ILE 25 2HG2 ILE 25 2.577 -6.510 -3.918
163 HG23 ILE 25 3HG2 ILE 25 3.421 -4.989 -4.208
164 HD11 ILE 25 3HD1 ILE 25 3.346 -8.379 -2.843
165 HD12 ILE 25 1HD1 ILE 25 2.683 -9.111 -4.304
166 HD13 ILE 25 2HD1 ILE 25 3.992 -9.910 -3.432
167 H VAL 26 H VAL 26 7.052 -4.976 -3.113
168 HA VAL 26 HA VAL 26 5.855 -2.343 -3.432
169 HB VAL 26 HB VAL 26 6.178 -3.467 -1.177
170 HG11 VAL 26 1HG1 VAL 26 8.935 -2.415 -1.074
171 HG12 VAL 26 2HG1 VAL 26 8.224 -3.821 -0.279
172 HG13 VAL 26 3HG1 VAL 26 8.703 -3.913 -1.974
173 HG21 VAL 26 3HG2 VAL 26 7.567 -0.935 -0.829
174 HG22 VAL 26 1HG2 VAL 26 6.190 -0.815 -1.925
175 HG23 VAL 26 2HG2 VAL 26 5.963 -1.429 -0.288
176 H HIS 27 H HIS 27 8.051 -3.668 -5.180
177 HA HIS 27 HA HIS 27 10.446 -2.272 -4.911
178 HB2 HIS 27 1HB HIS 27 10.960 -2.963 -7.116
179 HB3 HIS 27 2HB HIS 27 9.926 -4.229 -6.461
180 HD1 HIS 27 HD1 HIS 27 10.377 -3.263 -9.553
181 HD2 HIS 27 HD2 HIS 27 7.037 -2.711 -7.144
182 HE1 HIS 27 HE1 HIS 27 8.451 -2.941 -11.137
183 H VAL 28 H VAL 28 11.028 -0.879 -7.142
184 HA VAL 28 HA VAL 28 9.172 1.411 -7.051
185 HB VAL 28 HB VAL 28 12.175 1.351 -7.071
186 HG11 VAL 28 1HG1 VAL 28 10.379 3.586 -7.987
187 HG12 VAL 28 2HG1 VAL 28 12.047 3.837 -7.468
188 HG13 VAL 28 3HG1 VAL 28 11.700 2.823 -8.870
189 HG21 VAL 28 3HG2 VAL 28 11.950 2.869 -5.208
190 HG22 VAL 28 1HG2 VAL 28 10.205 2.957 -5.448
191 HG23 VAL 28 2HG2 VAL 28 10.948 1.446 -4.922
192 H THR 29 H THR 29 8.623 2.396 -8.946
193 HA THR 29 HA THR 29 9.839 1.373 -11.420
194 HB THR 29 HB THR 29 7.392 1.682 -12.357
195 HG1 THR 29 HG1 THR 29 6.390 2.340 -10.465
196 HG21 THR 29 3HG2 THR 29 8.068 -0.443 -12.711
197 HG22 THR 29 1HG2 THR 29 7.036 -0.802 -11.328
198 HG23 THR 29 2HG2 THR 29 8.773 -0.596 -11.102
199 H VAL 30 H VAL 30 10.373 3.825 -10.047
200 HA VAL 30 HA VAL 30 9.087 5.834 -11.761
201 HB VAL 30 HB VAL 30 10.871 6.407 -9.403
202 HG11 VAL 30 1HG1 VAL 30 9.730 8.027 -11.362
203 HG12 VAL 30 2HG1 VAL 30 8.723 8.259 -9.932
204 HG13 VAL 30 3HG1 VAL 30 10.461 8.548 -9.844
205 HG21 VAL 30 3HG2 VAL 30 9.304 5.497 -8.095
206 HG22 VAL 30 1HG2 VAL 30 8.291 6.866 -8.555
207 HG23 VAL 30 2HG2 VAL 30 8.163 5.340 -9.430
208 H GLY 31 H GLY 31 10.252 7.157 -13.107
209 HA2 GLY 31 1HA GLY 31 12.125 8.049 -14.164
210 HA3 GLY 31 2HA GLY 31 13.148 7.093 -13.101
211 H CYS 32 H CYS 32 11.122 4.844 -14.093
212 HA CYS 32 HA CYS 32 12.859 4.053 -16.315
213 HB2 CYS 32 1HB CYS 32 11.253 2.601 -14.286
214 HB3 CYS 32 2HB CYS 32 11.368 1.856 -15.878
215 H SER 33 H SER 33 11.489 2.442 -17.844
216 HA SER 33 HA SER 33 9.526 4.184 -19.094
217 HB2 SER 33 1HB SER 33 9.954 1.631 -20.422
218 HB3 SER 33 2HB SER 33 10.221 3.267 -21.025
219 HG SER 33 HG SER 33 12.213 3.215 -19.766
220 H GLY 34 H GLY 34 7.401 3.608 -19.561
221 HA2 GLY 34 1HA GLY 34 5.968 2.242 -17.626
222 HA3 GLY 34 2HA GLY 34 5.371 2.582 -19.243
223 H GLY 35 H GLY 35 6.338 0.178 -17.067
224 HA2 GLY 35 1HA GLY 35 5.500 -2.074 -17.729
225 HA3 GLY 35 2HA GLY 35 6.351 -1.820 -19.246
226 H PHE 36 H PHE 36 8.351 -0.437 -17.151
227 HA PHE 36 HA PHE 36 9.677 -2.941 -16.364
228 HB2 PHE 36 1HB PHE 36 11.087 -0.532 -17.528
229 HB3 PHE 36 2HB PHE 36 11.835 -2.048 -17.036
230 HD1 PHE 36 HD1 PHE 36 9.503 -0.530 -19.471
231 HD2 PHE 36 HD2 PHE 36 11.948 -3.877 -18.502
232 HE1 PHE 36 HE1 PHE 36 9.179 -1.420 -21.742
233 HE2 PHE 36 HE2 PHE 36 11.629 -4.771 -20.772
234 HZ PHE 36 HZ PHE 36 10.244 -3.542 -22.396
235 H GLY 37 H GLY 37 10.394 -2.989 -14.320
236 HA2 GLY 37 1HA GLY 37 10.479 -0.424 -12.851
237 HA3 GLY 37 2HA GLY 37 9.849 -1.906 -12.146
238 H CYS 38 H CYS 38 11.509 -1.165 -10.496
239 HA CYS 38 HA CYS 38 13.974 -2.650 -11.002
240 HB2 CYS 38 1HB CYS 38 14.081 0.082 -9.728
241 HB3 CYS 38 2HB CYS 38 15.424 -0.911 -10.286
242 H CYS 39 H CYS 39 14.858 -3.605 -9.195
243 HA CYS 39 HA CYS 39 13.306 -3.310 -6.707
244 HB2 CYS 39 1HB CYS 39 14.240 -5.691 -8.188
245 HB3 CYS 39 2HB CYS 39 14.455 -5.755 -6.441
246 H ARG 40 H ARG 40 14.508 -3.802 -4.711
247 HA ARG 40 HA ARG 40 16.798 -2.248 -4.447
248 HB2 ARG 40 1HB ARG 40 15.898 -4.526 -2.673
249 HB3 ARG 40 2HB ARG 40 17.038 -3.265 -2.224
250 HG2 ARG 40 1HG ARG 40 14.245 -2.614 -3.092
251 HG3 ARG 40 2HG ARG 40 14.626 -3.042 -1.422
252 HD2 ARG 40 1HD ARG 40 16.110 -0.881 -2.886
253 HD3 ARG 40 2HD ARG 40 14.597 -0.559 -2.041
254 HE ARG 40 HE ARG 40 15.910 -1.636 -0.070
255 HH11 ARG 40 1HH1 ARG 40 17.174 0.490 -2.521
256 HH12 ARG 40 2HH1 ARG 40 18.405 1.151 -1.497
257 HH21 ARG 40 1HH2 ARG 40 17.528 -0.773 1.288
258 HH22 ARG 40 2HH2 ARG 40 18.607 0.431 0.668
259 H ILE 41 H ILE 41 18.608 -2.632 -5.569
260 HA ILE 41 HA ILE 41 19.563 -5.358 -5.939
261 HB ILE 41 HB ILE 41 20.898 -2.840 -6.917
262 HG12 ILE 41 1HG1 ILE 41 18.605 -2.803 -7.725
263 HG13 ILE 41 2HG1 ILE 41 19.689 -3.211 -9.051
264 HG21 ILE 41 1HG2 ILE 41 22.423 -4.289 -7.631
265 HG22 ILE 41 2HG2 ILE 41 21.436 -5.659 -7.127
266 HG23 ILE 41 3HG2 ILE 41 21.206 -4.948 -8.724
267 HD11 ILE 41 3HD1 ILE 41 17.858 -4.642 -9.281
268 HD12 ILE 41 1HD1 ILE 41 19.122 -5.635 -8.557
269 HD13 ILE 41 2HD1 ILE 41 17.813 -5.004 -7.556
270 H GLY 42 H GLY 42 20.836 -2.278 -4.662
271 HA2 GLY 42 1HA GLY 42 22.977 -3.760 -3.317
272 HA3 GLY 42 2HA GLY 42 22.897 -2.016 -3.521
Start of MODEL 6
1 H1 ASP 1 1H ASP 1 1.993 -0.382 -3.226
2 HA ASP 1 HA ASP 1 1.625 -0.442 -0.982
3 HB2 ASP 1 1HB ASP 1 4.383 -1.609 -1.180
4 HB3 ASP 1 2HB ASP 1 3.656 -1.320 0.398
5 H ASP 2 H ASP 2 2.631 1.997 -2.237
6 HA ASP 2 HA ASP 2 3.230 4.106 -1.632
7 HB2 ASP 2 1HB ASP 2 2.270 2.863 0.824
8 HB3 ASP 2 2HB ASP 2 3.456 4.128 1.135
9 H THR 3 H THR 3 5.281 4.169 -2.459
10 HA THR 3 HA THR 3 7.483 3.339 -0.696
11 HB THR 3 HB THR 3 8.785 3.868 -2.963
12 HG1 THR 3 HG1 THR 3 6.256 2.962 -3.905
13 HG21 THR 3 3HG2 THR 3 8.962 1.588 -3.262
14 HG22 THR 3 1HG2 THR 3 7.255 1.303 -2.929
15 HG23 THR 3 2HG2 THR 3 8.363 1.662 -1.605
16 HA PRO 4 HA PRO 4 8.825 7.454 0.027
17 HB2 PRO 4 1HB PRO 4 11.527 7.204 -0.070
18 HB3 PRO 4 2HB PRO 4 10.550 6.570 1.260
19 HG2 PRO 4 1HG PRO 4 11.683 5.134 -1.110
20 HG3 PRO 4 2HG PRO 4 11.631 4.624 0.587
21 HD2 PRO 4 1HD PRO 4 9.878 3.709 -1.262
22 HD3 PRO 4 2HD PRO 4 9.438 3.930 0.443
23 H SER 5 H SER 5 10.679 9.048 -0.834
24 HA SER 5 HA SER 5 10.035 9.478 -3.610
25 HB2 SER 5 1HB SER 5 11.642 11.493 -3.218
26 HB3 SER 5 2HB SER 5 10.075 11.480 -2.409
27 HG SER 5 HG SER 5 12.608 10.834 -1.317
28 H SER 6 H SER 6 11.148 7.349 -4.131
29 HA SER 6 HA SER 6 14.039 7.749 -4.513
30 HB2 SER 6 1HB SER 6 12.505 5.143 -4.643
31 HB3 SER 6 2HB SER 6 14.257 5.345 -4.651
32 HG SER 6 HG SER 6 13.642 6.531 -2.514
33 H ARG 7 H ARG 7 14.501 5.890 -6.488
34 HA ARG 7 HA ARG 7 12.816 5.970 -8.711
35 HB2 ARG 7 1HB ARG 7 13.115 8.329 -8.842
36 HB3 ARG 7 2HB ARG 7 14.848 8.193 -8.581
37 HG2 ARG 7 1HG ARG 7 15.272 7.791 -10.745
38 HG3 ARG 7 2HG ARG 7 13.848 6.767 -10.939
39 HD2 ARG 7 1HD ARG 7 12.522 8.497 -11.567
40 HD3 ARG 7 2HD ARG 7 13.356 9.652 -10.528
41 HE ARG 7 HE ARG 7 13.887 9.130 -13.281
42 HH11 ARG 7 1HH1 ARG 7 15.359 10.079 -10.273
43 HH12 ARG 7 2HH1 ARG 7 16.655 10.944 -11.030
44 HH21 ARG 7 1HH2 ARG 7 15.588 10.266 -14.289
45 HH22 ARG 7 2HH2 ARG 7 16.784 11.051 -13.314
46 H CYS 8 H CYS 8 13.610 4.741 -10.385
47 HA CYS 8 HA CYS 8 15.599 2.894 -9.889
48 HB2 CYS 8 1HB CYS 8 14.579 3.890 -12.557
49 HB3 CYS 8 2HB CYS 8 15.554 2.440 -12.340
50 H GLY 9 H GLY 9 17.729 3.066 -9.725
51 HA2 GLY 9 1HA GLY 9 19.900 3.676 -10.222
52 HA3 GLY 9 2HA GLY 9 19.288 4.539 -11.625
53 H SER 10 H SER 10 18.120 5.151 -8.389
54 HA SER 10 HA SER 10 19.492 7.760 -8.453
55 HB2 SER 10 1HB SER 10 17.012 7.878 -8.777
56 HB3 SER 10 2HB SER 10 16.813 7.164 -7.177
57 HG SER 10 HG SER 10 16.736 9.518 -7.276
58 H GLY 11 H GLY 11 19.078 4.846 -6.789
59 HA2 GLY 11 1HA GLY 11 20.798 5.760 -4.650
60 HA3 GLY 11 2HA GLY 11 19.180 5.310 -4.132
61 H GLY 12 H GLY 12 18.508 3.131 -4.313
62 HA2 GLY 12 1HA GLY 12 20.779 1.255 -4.503
63 HA3 GLY 12 2HA GLY 12 19.371 1.014 -3.480
64 H TRP 13 H TRP 13 18.003 2.212 -6.111
65 HA TRP 13 HA TRP 13 17.284 -0.413 -7.106
66 HB2 TRP 13 1HB TRP 13 16.271 2.205 -8.192
67 HB3 TRP 13 2HB TRP 13 15.473 0.635 -8.189
68 HD1 TRP 13 HD1 TRP 13 16.029 3.712 -6.038
69 HE1 TRP 13 HE1 TRP 13 14.539 3.556 -3.945
70 HE3 TRP 13 HE3 TRP 13 14.394 -1.103 -6.563
71 HZ2 TRP 13 HZ2 TRP 13 12.890 1.644 -2.683
72 HZ3 TRP 13 HZ3 TRP 13 12.863 -2.020 -4.869
73 HH2 TRP 13 HH2 TRP 13 12.128 -0.673 -2.970
74 H GLY 14 H GLY 14 17.842 -1.278 -9.034
75 HA2 GLY 14 1HA GLY 14 20.133 -0.394 -10.377
76 HA3 GLY 14 2HA GLY 14 18.991 -1.578 -10.997
77 HA PRO 15 HA PRO 15 18.925 2.196 -13.726
78 HB2 PRO 15 1HB PRO 15 19.260 0.831 -16.049
79 HB3 PRO 15 2HB PRO 15 20.614 1.395 -15.062
80 HG2 PRO 15 1HG PRO 15 19.383 -1.330 -15.210
81 HG3 PRO 15 2HG PRO 15 21.097 -0.878 -15.152
82 HD2 PRO 15 1HD PRO 15 19.746 -1.748 -12.973
83 HD3 PRO 15 2HD PRO 15 21.068 -0.569 -12.868
84 H CYS 16 H CYS 16 17.645 -1.004 -14.672
85 HA CYS 16 HA CYS 16 14.943 -0.320 -14.429
86 HB2 CYS 16 1HB CYS 16 16.214 0.575 -16.890
87 HB3 CYS 16 2HB CYS 16 14.869 -0.517 -17.202
88 H LEU 17 H LEU 17 13.917 -2.194 -14.224
89 HA LEU 17 HA LEU 17 14.909 -4.518 -15.737
90 HB2 LEU 17 1HB LEU 17 15.630 -4.827 -13.493
91 HB3 LEU 17 2HB LEU 17 14.055 -4.360 -12.857
92 HG LEU 17 HG LEU 17 13.419 -6.545 -14.364
93 HD11 LEU 17 1HD1 LEU 17 15.963 -6.821 -14.636
94 HD12 LEU 17 2HD1 LEU 17 15.010 -8.227 -14.165
95 HD13 LEU 17 3HD1 LEU 17 15.937 -7.344 -12.952
96 HD21 LEU 17 3HD2 LEU 17 13.670 -5.844 -11.574
97 HD22 LEU 17 1HD2 LEU 17 13.992 -7.559 -11.837
98 HD23 LEU 17 2HD2 LEU 17 12.468 -6.855 -12.378
99 HA PRO 18 HA PRO 18 10.752 -4.903 -17.151
100 HB2 PRO 18 1HB PRO 18 10.839 -7.494 -17.958
101 HB3 PRO 18 2HB PRO 18 11.616 -6.183 -18.853
102 HG2 PRO 18 1HG PRO 18 12.822 -8.146 -16.942
103 HG3 PRO 18 2HG PRO 18 13.446 -7.573 -18.499
104 HD2 PRO 18 1HD PRO 18 14.336 -6.611 -16.130
105 HD3 PRO 18 2HD PRO 18 14.255 -5.613 -17.596
106 H ILE 19 H ILE 19 8.970 -5.134 -15.969
107 HA ILE 19 HA ILE 19 8.838 -6.430 -13.506
108 HB ILE 19 HB ILE 19 6.501 -5.854 -15.329
109 HG12 ILE 19 1HG1 ILE 19 7.833 -4.077 -13.273
110 HG13 ILE 19 2HG1 ILE 19 7.907 -3.861 -15.019
111 HG21 ILE 19 1HG2 ILE 19 6.705 -6.995 -12.717
112 HG22 ILE 19 2HG2 ILE 19 5.879 -5.442 -12.614
113 HG23 ILE 19 3HG2 ILE 19 5.265 -6.697 -13.690
114 HD11 ILE 19 3HD1 ILE 19 5.378 -3.675 -14.945
115 HD12 ILE 19 1HD1 ILE 19 5.552 -3.524 -13.197
116 HD13 ILE 19 2HD1 ILE 19 6.303 -2.336 -14.264
117 H VAL 20 H VAL 20 8.591 -7.701 -16.683
118 HA VAL 20 HA VAL 20 6.969 -9.940 -16.288
119 HB VAL 20 HB VAL 20 7.865 -9.110 -18.494
120 HG11 VAL 20 1HG1 VAL 20 10.022 -9.334 -19.110
121 HG12 VAL 20 2HG1 VAL 20 10.308 -9.349 -17.369
122 HG13 VAL 20 3HG1 VAL 20 10.216 -10.868 -18.262
123 HG21 VAL 20 3HG2 VAL 20 8.468 -11.731 -19.069
124 HG22 VAL 20 1HG2 VAL 20 7.500 -11.859 -17.600
125 HG23 VAL 20 2HG2 VAL 20 6.850 -11.033 -19.016
126 H ASP 21 H ASP 21 10.177 -9.271 -15.210
127 HA ASP 21 HA ASP 21 10.478 -12.066 -14.326
128 HB2 ASP 21 1HB ASP 21 12.239 -11.232 -15.887
129 HB3 ASP 21 2HB ASP 21 12.665 -10.009 -14.692
130 H LEU 22 H LEU 22 9.606 -9.087 -13.255
131 HA LEU 22 HA LEU 22 10.950 -8.512 -10.953
132 HB2 LEU 22 1HB LEU 22 8.596 -7.704 -12.093
133 HB3 LEU 22 2HB LEU 22 8.048 -8.442 -10.589
134 HG LEU 22 HG LEU 22 9.814 -6.916 -9.472
135 HD11 LEU 22 1HD1 LEU 22 9.379 -4.921 -11.542
136 HD12 LEU 22 2HD1 LEU 22 10.373 -6.272 -12.085
137 HD13 LEU 22 3HD1 LEU 22 10.849 -5.343 -10.664
138 HD21 LEU 22 3HD2 LEU 22 7.208 -6.760 -9.589
139 HD22 LEU 22 1HD2 LEU 22 7.537 -5.381 -10.638
140 HD23 LEU 22 2HD2 LEU 22 8.155 -5.399 -8.986
141 H LEU 23 H LEU 23 10.543 -8.991 -8.704
142 HA LEU 23 HA LEU 23 9.256 -11.575 -8.192
143 HB2 LEU 23 1HB LEU 23 11.456 -12.295 -8.343
144 HB3 LEU 23 2HB LEU 23 12.092 -10.815 -7.628
145 HG LEU 23 HG LEU 23 10.435 -12.595 -5.915
146 HD11 LEU 23 1HD1 LEU 23 13.231 -13.206 -6.837
147 HD12 LEU 23 2HD1 LEU 23 11.813 -14.254 -6.873
148 HD13 LEU 23 3HD1 LEU 23 12.558 -13.832 -5.332
149 HD21 LEU 23 3HD2 LEU 23 11.099 -10.808 -4.678
150 HD22 LEU 23 1HD2 LEU 23 12.565 -10.553 -5.625
151 HD23 LEU 23 2HD2 LEU 23 12.505 -11.843 -4.424
152 H CYS 24 H CYS 24 9.959 -8.381 -7.276
153 HA CYS 24 HA CYS 24 8.987 -8.808 -4.540
154 HB2 CYS 24 1HB CYS 24 9.815 -6.096 -5.368
155 HB3 CYS 24 2HB CYS 24 10.183 -6.988 -3.896
156 H ILE 25 H ILE 25 7.647 -6.807 -3.750
157 HA ILE 25 HA ILE 25 5.597 -6.219 -5.785
158 HB ILE 25 HB ILE 25 5.086 -6.701 -2.848
159 HG12 ILE 25 1HG1 ILE 25 4.411 -8.457 -5.218
160 HG13 ILE 25 2HG1 ILE 25 5.730 -8.758 -4.092
161 HG21 ILE 25 1HG2 ILE 25 3.221 -6.207 -5.164
162 HG22 ILE 25 2HG2 ILE 25 2.712 -6.693 -3.548
163 HG23 ILE 25 3HG2 ILE 25 3.512 -5.140 -3.790
164 HD11 ILE 25 3HD1 ILE 25 3.876 -8.703 -2.292
165 HD12 ILE 25 1HD1 ILE 25 2.788 -8.968 -3.654
166 HD13 ILE 25 2HD1 ILE 25 4.064 -10.135 -3.303
167 H VAL 26 H VAL 26 7.295 -5.133 -2.900
168 HA VAL 26 HA VAL 26 6.092 -2.487 -3.065
169 HB VAL 26 HB VAL 26 6.575 -3.666 -0.867
170 HG11 VAL 26 1HG1 VAL 26 8.695 -3.973 -0.089
171 HG12 VAL 26 2HG1 VAL 26 8.998 -4.175 -1.815
172 HG13 VAL 26 3HG1 VAL 26 9.354 -2.636 -1.030
173 HG21 VAL 26 3HG2 VAL 26 6.417 -1.646 0.066
174 HG22 VAL 26 1HG2 VAL 26 8.001 -1.161 -0.540
175 HG23 VAL 26 2HG2 VAL 26 6.574 -0.987 -1.562
176 H HIS 27 H HIS 27 8.140 -3.777 -5.006
177 HA HIS 27 HA HIS 27 10.559 -2.401 -4.882
178 HB2 HIS 27 1HB HIS 27 10.907 -3.048 -7.128
179 HB3 HIS 27 2HB HIS 27 9.897 -4.316 -6.440
180 HD1 HIS 27 HD1 HIS 27 10.168 -3.202 -9.526
181 HD2 HIS 27 HD2 HIS 27 6.984 -2.800 -6.886
182 HE1 HIS 27 HE1 HIS 27 8.143 -2.822 -10.968
183 H VAL 28 H VAL 28 10.980 -0.956 -7.118
184 HA VAL 28 HA VAL 28 9.133 1.328 -6.858
185 HB VAL 28 HB VAL 28 12.129 1.276 -6.960
186 HG11 VAL 28 1HG1 VAL 28 10.331 3.514 -7.863
187 HG12 VAL 28 2HG1 VAL 28 12.005 3.763 -7.363
188 HG13 VAL 28 3HG1 VAL 28 11.642 2.744 -8.757
189 HG21 VAL 28 3HG2 VAL 28 10.168 2.865 -5.306
190 HG22 VAL 28 1HG2 VAL 28 10.978 1.386 -4.790
191 HG23 VAL 28 2HG2 VAL 28 11.921 2.841 -5.114
192 H THR 29 H THR 29 8.537 2.399 -8.703
193 HA THR 29 HA THR 29 9.635 1.428 -11.252
194 HB THR 29 HB THR 29 7.155 1.799 -12.077
195 HG1 THR 29 HG1 THR 29 6.921 1.321 -9.290
196 HG21 THR 29 3HG2 THR 29 7.784 -0.322 -12.526
197 HG22 THR 29 1HG2 THR 29 6.810 -0.713 -11.110
198 HG23 THR 29 2HG2 THR 29 8.558 -0.534 -10.956
199 H VAL 30 H VAL 30 10.439 3.773 -10.031
200 HA VAL 30 HA VAL 30 9.056 5.868 -11.572
201 HB VAL 30 HB VAL 30 10.919 6.302 -9.239
202 HG11 VAL 30 1HG1 VAL 30 10.853 8.363 -10.149
203 HG12 VAL 30 2HG1 VAL 30 9.372 8.034 -11.050
204 HG13 VAL 30 3HG1 VAL 30 9.290 8.451 -9.338
205 HG21 VAL 30 3HG2 VAL 30 8.195 5.366 -9.251
206 HG22 VAL 30 1HG2 VAL 30 9.297 5.594 -7.893
207 HG23 VAL 30 2HG2 VAL 30 8.311 6.940 -8.464
208 H GLY 31 H GLY 31 10.174 7.127 -12.993
209 HA2 GLY 31 1HA GLY 31 12.005 7.996 -14.134
210 HA3 GLY 31 2HA GLY 31 13.066 7.075 -13.078
211 H CYS 32 H CYS 32 10.986 4.814 -13.982
212 HA CYS 32 HA CYS 32 12.697 3.938 -16.190
213 HB2 CYS 32 1HB CYS 32 11.010 2.563 -14.161
214 HB3 CYS 32 2HB CYS 32 11.180 1.782 -15.729
215 H SER 33 H SER 33 11.300 2.346 -17.703
216 HA SER 33 HA SER 33 9.432 4.114 -19.033
217 HB2 SER 33 1HB SER 33 10.976 1.698 -19.752
218 HB3 SER 33 2HB SER 33 9.405 1.851 -20.538
219 HG SER 33 HG SER 33 10.266 4.161 -20.877
220 H GLY 34 H GLY 34 7.317 3.400 -19.755
221 HA2 GLY 34 1HA GLY 34 5.748 2.366 -17.659
222 HA3 GLY 34 2HA GLY 34 5.206 2.615 -19.312
223 H GLY 35 H GLY 35 6.435 0.332 -17.002
224 HA2 GLY 35 1HA GLY 35 5.370 -1.933 -17.431
225 HA3 GLY 35 2HA GLY 35 6.149 -1.820 -19.003
226 H PHE 36 H PHE 36 8.210 -0.357 -16.930
227 HA PHE 36 HA PHE 36 9.562 -2.861 -16.187
228 HB2 PHE 36 1HB PHE 36 10.945 -0.424 -17.326
229 HB3 PHE 36 2HB PHE 36 11.706 -1.944 -16.866
230 HD1 PHE 36 HD1 PHE 36 9.341 -0.401 -19.253
231 HD2 PHE 36 HD2 PHE 36 11.821 -3.744 -18.365
232 HE1 PHE 36 HE1 PHE 36 9.002 -1.254 -21.536
233 HE2 PHE 36 HE2 PHE 36 11.487 -4.602 -20.647
234 HZ PHE 36 HZ PHE 36 10.076 -3.357 -22.236
235 H GLY 37 H GLY 37 10.274 -2.932 -14.143
236 HA2 GLY 37 1HA GLY 37 10.361 -0.385 -12.644
237 HA3 GLY 37 2HA GLY 37 9.741 -1.878 -11.955
238 H CYS 38 H CYS 38 11.392 -1.197 -10.292
239 HA CYS 38 HA CYS 38 13.830 -2.701 -10.786
240 HB2 CYS 38 1HB CYS 38 15.135 -0.753 -9.677
241 HB3 CYS 38 2HB CYS 38 14.739 -0.638 -11.388
242 H CYS 39 H CYS 39 14.723 -3.585 -8.948
243 HA CYS 39 HA CYS 39 13.221 -3.122 -6.454
244 HB2 CYS 39 1HB CYS 39 13.295 -5.455 -7.809
245 HB3 CYS 39 2HB CYS 39 14.713 -5.660 -6.785
246 H ARG 40 H ARG 40 14.495 -3.707 -4.459
247 HA ARG 40 HA ARG 40 16.807 -2.121 -4.309
248 HB2 ARG 40 1HB ARG 40 15.913 -4.286 -2.396
249 HB3 ARG 40 2HB ARG 40 17.046 -2.989 -2.038
250 HG2 ARG 40 1HG ARG 40 14.238 -2.415 -2.913
251 HG3 ARG 40 2HG ARG 40 14.638 -2.741 -1.225
252 HD2 ARG 40 1HD ARG 40 15.940 -0.603 -2.905
253 HD3 ARG 40 2HD ARG 40 14.586 -0.321 -1.812
254 HE ARG 40 HE ARG 40 16.014 -0.692 0.018
255 HH11 ARG 40 1HH1 ARG 40 17.663 -0.942 -3.037
256 HH12 ARG 40 2HH1 ARG 40 19.244 -0.799 -2.344
257 HH21 ARG 40 1HH2 ARG 40 18.090 -0.502 0.944
258 HH22 ARG 40 2HH2 ARG 40 19.486 -0.549 -0.079
259 H ILE 41 H ILE 41 18.710 -2.555 -5.195
260 HA ILE 41 HA ILE 41 19.566 -5.349 -5.461
261 HB ILE 41 HB ILE 41 20.667 -2.864 -6.780
262 HG12 ILE 41 1HG1 ILE 41 18.987 -5.124 -7.888
263 HG13 ILE 41 2HG1 ILE 41 18.432 -3.480 -7.591
264 HG21 ILE 41 1HG2 ILE 41 21.431 -5.251 -8.106
265 HG22 ILE 41 2HG2 ILE 41 22.458 -4.058 -7.312
266 HG23 ILE 41 3HG2 ILE 41 21.826 -5.427 -6.397
267 HD11 ILE 41 3HD1 ILE 41 20.606 -3.094 -9.208
268 HD12 ILE 41 1HD1 ILE 41 19.904 -4.582 -9.843
269 HD13 ILE 41 2HD1 ILE 41 18.922 -3.121 -9.729
270 H GLY 42 H GLY 42 20.892 -2.169 -4.533
271 HA2 GLY 42 1HA GLY 42 23.301 -3.207 -3.462
272 HA3 GLY 42 2HA GLY 42 22.642 -1.608 -3.155
Start of MODEL 7
1 H1 ASP 1 1H ASP 1 1.863 0.610 3.145
2 HA ASP 1 HA ASP 1 2.587 -0.633 1.300
3 HB2 ASP 1 1HB ASP 1 -0.138 0.335 0.414
4 HB3 ASP 1 2HB ASP 1 0.648 -1.173 -0.046
5 H ASP 2 H ASP 2 3.906 1.694 0.982
6 HA ASP 2 HA ASP 2 3.941 1.969 -1.906
7 HB2 ASP 2 1HB ASP 2 3.743 4.453 -0.198
8 HB3 ASP 2 2HB ASP 2 3.733 4.353 -1.957
9 H THR 3 H THR 3 5.693 4.033 -2.188
10 HA THR 3 HA THR 3 7.999 3.306 -0.510
11 HB THR 3 HB THR 3 9.290 3.797 -2.792
12 HG1 THR 3 HG1 THR 3 6.737 2.799 -3.568
13 HG21 THR 3 3HG2 THR 3 8.188 1.319 -1.595
14 HG22 THR 3 1HG2 THR 3 9.862 1.785 -1.894
15 HG23 THR 3 2HG2 THR 3 8.863 1.189 -3.219
16 HA PRO 4 HA PRO 4 8.827 7.599 -0.121
17 HB2 PRO 4 1HB PRO 4 11.541 7.666 -0.151
18 HB3 PRO 4 2HB PRO 4 10.611 7.033 1.212
19 HG2 PRO 4 1HG PRO 4 11.967 5.551 -1.007
20 HG3 PRO 4 2HG PRO 4 11.931 5.181 0.727
21 HD2 PRO 4 1HD PRO 4 10.348 3.912 -1.066
22 HD3 PRO 4 2HD PRO 4 9.839 4.220 0.607
23 H SER 5 H SER 5 10.604 9.281 -1.085
24 HA SER 5 HA SER 5 9.915 9.480 -3.871
25 HB2 SER 5 1HB SER 5 10.073 11.411 -2.181
26 HB3 SER 5 2HB SER 5 11.819 11.302 -2.406
27 HG SER 5 HG SER 5 11.618 12.236 -4.277
28 H SER 6 H SER 6 11.138 7.362 -4.232
29 HA SER 6 HA SER 6 14.004 7.851 -4.657
30 HB2 SER 6 1HB SER 6 12.622 5.643 -3.600
31 HB3 SER 6 2HB SER 6 13.185 5.131 -5.191
32 HG SER 6 HG SER 6 14.906 6.450 -3.387
33 H ARG 7 H ARG 7 14.522 5.951 -6.586
34 HA ARG 7 HA ARG 7 12.859 5.945 -8.825
35 HB2 ARG 7 1HB ARG 7 13.085 8.289 -9.047
36 HB3 ARG 7 2HB ARG 7 14.807 8.237 -8.695
37 HG2 ARG 7 1HG ARG 7 15.367 7.694 -10.816
38 HG3 ARG 7 2HG ARG 7 13.901 6.747 -11.078
39 HD2 ARG 7 1HD ARG 7 12.670 8.571 -11.709
40 HD3 ARG 7 2HD ARG 7 13.638 9.690 -10.749
41 HE ARG 7 HE ARG 7 14.020 9.041 -13.478
42 HH11 ARG 7 1HH1 ARG 7 15.768 9.740 -10.550
43 HH12 ARG 7 2HH1 ARG 7 17.156 10.369 -11.374
44 HH21 ARG 7 1HH2 ARG 7 15.841 9.867 -14.575
45 HH22 ARG 7 2HH2 ARG 7 17.196 10.442 -13.664
46 H CYS 8 H CYS 8 13.702 4.709 -10.473
47 HA CYS 8 HA CYS 8 15.722 2.913 -9.919
48 HB2 CYS 8 1HB CYS 8 14.773 3.840 -12.639
49 HB3 CYS 8 2HB CYS 8 15.700 2.375 -12.332
50 H GLY 9 H GLY 9 17.839 3.156 -9.699
51 HA2 GLY 9 1HA GLY 9 20.007 3.775 -10.229
52 HA3 GLY 9 2HA GLY 9 19.379 4.668 -11.606
53 H SER 10 H SER 10 18.099 5.236 -8.429
54 HA SER 10 HA SER 10 19.514 7.822 -8.372
55 HB2 SER 10 1HB SER 10 16.982 7.832 -8.779
56 HB3 SER 10 2HB SER 10 16.826 7.315 -7.100
57 HG SER 10 HG SER 10 17.686 9.759 -8.145
58 H GLY 11 H GLY 11 18.731 4.931 -6.678
59 HA2 GLY 11 1HA GLY 11 20.440 5.782 -4.467
60 HA3 GLY 11 2HA GLY 11 18.798 5.308 -4.060
61 H GLY 12 H GLY 12 18.220 3.153 -4.087
62 HA2 GLY 12 1HA GLY 12 20.494 1.292 -4.301
63 HA3 GLY 12 2HA GLY 12 19.059 1.030 -3.321
64 H TRP 13 H TRP 13 17.762 2.238 -5.985
65 HA TRP 13 HA TRP 13 17.091 -0.386 -7.017
66 HB2 TRP 13 1HB TRP 13 16.098 2.238 -8.112
67 HB3 TRP 13 2HB TRP 13 15.313 0.662 -8.161
68 HD1 TRP 13 HD1 TRP 13 15.714 3.731 -5.984
69 HE1 TRP 13 HE1 TRP 13 14.170 3.524 -3.935
70 HE3 TRP 13 HE3 TRP 13 14.263 -1.138 -6.549
71 HZ2 TRP 13 HZ2 TRP 13 12.552 1.557 -2.718
72 HZ3 TRP 13 HZ3 TRP 13 12.716 -2.107 -4.899
73 HH2 TRP 13 HH2 TRP 13 11.880 -0.786 -3.024
74 H GLY 14 H GLY 14 17.728 -1.242 -8.923
75 HA2 GLY 14 1HA GLY 14 20.048 -0.328 -10.192
76 HA3 GLY 14 2HA GLY 14 18.942 -1.525 -10.849
77 HA PRO 15 HA PRO 15 18.916 2.252 -13.575
78 HB2 PRO 15 1HB PRO 15 19.343 0.895 -15.888
79 HB3 PRO 15 2HB PRO 15 20.657 1.474 -14.857
80 HG2 PRO 15 1HG PRO 15 19.465 -1.266 -15.047
81 HG3 PRO 15 2HG PRO 15 21.171 -0.792 -14.934
82 HD2 PRO 15 1HD PRO 15 19.762 -1.683 -12.800
83 HD3 PRO 15 2HD PRO 15 21.065 -0.487 -12.652
84 H CYS 16 H CYS 16 17.718 -0.957 -14.596
85 HA CYS 16 HA CYS 16 14.995 -0.301 -14.434
86 HB2 CYS 16 1HB CYS 16 16.349 0.575 -16.864
87 HB3 CYS 16 2HB CYS 16 15.006 -0.513 -17.201
88 H LEU 17 H LEU 17 13.978 -2.182 -14.254
89 HA LEU 17 HA LEU 17 15.038 -4.504 -15.722
90 HB2 LEU 17 1HB LEU 17 15.706 -4.789 -13.456
91 HB3 LEU 17 2HB LEU 17 14.106 -4.346 -12.866
92 HG LEU 17 HG LEU 17 13.544 -6.545 -14.378
93 HD11 LEU 17 1HD1 LEU 17 16.127 -6.749 -14.550
94 HD12 LEU 17 2HD1 LEU 17 15.161 -8.181 -14.198
95 HD13 LEU 17 3HD1 LEU 17 16.010 -7.350 -12.895
96 HD21 LEU 17 3HD2 LEU 17 13.706 -5.828 -11.591
97 HD22 LEU 17 1HD2 LEU 17 14.091 -7.533 -11.827
98 HD23 LEU 17 2HD2 LEU 17 12.559 -6.886 -12.415
99 HA PRO 18 HA PRO 18 10.922 -4.940 -17.236
100 HB2 PRO 18 1HB PRO 18 11.055 -7.533 -18.029
101 HB3 PRO 18 2HB PRO 18 11.840 -6.217 -18.911
102 HG2 PRO 18 1HG PRO 18 13.019 -8.159 -16.962
103 HG3 PRO 18 2HG PRO 18 13.676 -7.586 -18.506
104 HD2 PRO 18 1HD PRO 18 14.497 -6.604 -16.120
105 HD3 PRO 18 2HD PRO 18 14.442 -5.613 -17.592
106 H ILE 19 H ILE 19 9.115 -5.181 -16.094
107 HA ILE 19 HA ILE 19 8.938 -6.472 -13.631
108 HB ILE 19 HB ILE 19 6.635 -5.927 -15.505
109 HG12 ILE 19 1HG1 ILE 19 7.941 -4.123 -13.456
110 HG13 ILE 19 2HG1 ILE 19 7.990 -3.911 -15.203
111 HG21 ILE 19 1HG2 ILE 19 5.338 -5.737 -13.417
112 HG22 ILE 19 2HG2 ILE 19 6.023 -7.345 -13.645
113 HG23 ILE 19 3HG2 ILE 19 6.768 -6.223 -12.508
114 HD11 ILE 19 3HD1 ILE 19 6.333 -2.454 -14.678
115 HD12 ILE 19 1HD1 ILE 19 5.369 -3.910 -14.919
116 HD13 ILE 19 2HD1 ILE 19 5.792 -3.392 -13.287
117 H VAL 20 H VAL 20 8.780 -7.754 -16.807
118 HA VAL 20 HA VAL 20 7.165 -10.003 -16.454
119 HB VAL 20 HB VAL 20 8.127 -9.176 -18.633
120 HG11 VAL 20 1HG1 VAL 20 10.473 -10.920 -18.354
121 HG12 VAL 20 2HG1 VAL 20 10.306 -9.358 -19.158
122 HG13 VAL 20 3HG1 VAL 20 10.536 -9.431 -17.411
123 HG21 VAL 20 3HG2 VAL 20 7.656 -11.884 -17.747
124 HG22 VAL 20 1HG2 VAL 20 7.200 -11.100 -19.259
125 HG23 VAL 20 2HG2 VAL 20 8.792 -11.841 -19.095
126 H ASP 21 H ASP 21 10.327 -9.308 -15.269
127 HA ASP 21 HA ASP 21 10.617 -12.098 -14.367
128 HB2 ASP 21 1HB ASP 21 12.422 -11.244 -15.876
129 HB3 ASP 21 2HB ASP 21 12.809 -10.035 -14.655
130 H LEU 22 H LEU 22 9.701 -9.115 -13.339
131 HA LEU 22 HA LEU 22 10.966 -8.530 -10.994
132 HB2 LEU 22 1HB LEU 22 8.647 -7.732 -12.219
133 HB3 LEU 22 2HB LEU 22 8.056 -8.455 -10.724
134 HG LEU 22 HG LEU 22 9.784 -6.919 -9.568
135 HD11 LEU 22 1HD1 LEU 22 9.423 -4.945 -11.674
136 HD12 LEU 22 2HD1 LEU 22 10.432 -6.304 -12.168
137 HD13 LEU 22 3HD1 LEU 22 10.862 -5.361 -10.742
138 HD21 LEU 22 3HD2 LEU 22 7.175 -6.758 -9.800
139 HD22 LEU 22 1HD2 LEU 22 7.566 -5.370 -10.816
140 HD23 LEU 22 2HD2 LEU 22 8.107 -5.414 -9.138
141 H LEU 23 H LEU 23 10.481 -9.000 -8.758
142 HA LEU 23 HA LEU 23 9.176 -11.581 -8.280
143 HB2 LEU 23 1HB LEU 23 11.379 -12.303 -8.355
144 HB3 LEU 23 2HB LEU 23 11.992 -10.821 -7.624
145 HG LEU 23 HG LEU 23 10.276 -12.596 -5.963
146 HD11 LEU 23 1HD1 LEU 23 12.222 -13.944 -5.329
147 HD12 LEU 23 2HD1 LEU 23 13.166 -13.168 -6.601
148 HD13 LEU 23 3HD1 LEU 23 11.783 -14.178 -7.022
149 HD21 LEU 23 3HD2 LEU 23 10.894 -10.797 -4.716
150 HD22 LEU 23 1HD2 LEU 23 12.399 -10.555 -5.604
151 HD23 LEU 23 2HD2 LEU 23 12.282 -11.838 -4.398
152 H CYS 24 H CYS 24 9.849 -8.384 -7.354
153 HA CYS 24 HA CYS 24 8.791 -8.798 -4.649
154 HB2 CYS 24 1HB CYS 24 9.641 -6.091 -5.481
155 HB3 CYS 24 2HB CYS 24 9.948 -6.958 -3.980
156 H ILE 25 H ILE 25 7.439 -6.762 -3.925
157 HA ILE 25 HA ILE 25 5.445 -6.205 -6.022
158 HB ILE 25 HB ILE 25 4.867 -6.717 -3.101
159 HG12 ILE 25 1HG1 ILE 25 4.141 -8.387 -5.517
160 HG13 ILE 25 2HG1 ILE 25 5.482 -8.744 -4.434
161 HG21 ILE 25 1HG2 ILE 25 2.533 -6.834 -4.665
162 HG22 ILE 25 2HG2 ILE 25 2.964 -5.633 -3.449
163 HG23 ILE 25 3HG2 ILE 25 3.385 -5.364 -5.140
164 HD11 ILE 25 3HD1 ILE 25 4.059 -9.967 -3.261
165 HD12 ILE 25 1HD1 ILE 25 3.298 -8.459 -2.754
166 HD13 ILE 25 2HD1 ILE 25 2.676 -9.334 -4.153
167 H VAL 26 H VAL 26 7.053 -5.100 -3.094
168 HA VAL 26 HA VAL 26 5.847 -2.459 -3.306
169 HB VAL 26 HB VAL 26 6.271 -3.627 -1.089
170 HG11 VAL 26 1HG1 VAL 26 8.686 -4.197 -1.915
171 HG12 VAL 26 2HG1 VAL 26 9.067 -2.601 -1.265
172 HG13 VAL 26 3HG1 VAL 26 8.387 -3.843 -0.213
173 HG21 VAL 26 3HG2 VAL 26 6.269 -1.614 -0.054
174 HG22 VAL 26 1HG2 VAL 26 7.678 -1.035 -0.943
175 HG23 VAL 26 2HG2 VAL 26 6.087 -1.020 -1.704
176 H HIS 27 H HIS 27 7.954 -3.752 -5.181
177 HA HIS 27 HA HIS 27 10.363 -2.366 -4.994
178 HB2 HIS 27 1HB HIS 27 10.778 -3.023 -7.227
179 HB3 HIS 27 2HB HIS 27 9.756 -4.292 -6.559
180 HD1 HIS 27 HD1 HIS 27 10.107 -3.185 -9.643
181 HD2 HIS 27 HD2 HIS 27 6.847 -2.807 -7.095
182 HE1 HIS 27 HE1 HIS 27 8.120 -2.828 -11.142
183 H VAL 28 H VAL 28 10.849 -0.928 -7.216
184 HA VAL 28 HA VAL 28 8.976 1.342 -7.041
185 HB VAL 28 HB VAL 28 11.977 1.328 -7.032
186 HG11 VAL 28 1HG1 VAL 28 11.520 2.819 -8.815
187 HG12 VAL 28 2HG1 VAL 28 10.168 3.551 -7.949
188 HG13 VAL 28 3HG1 VAL 28 11.821 3.819 -7.395
189 HG21 VAL 28 3HG2 VAL 28 11.691 2.848 -5.163
190 HG22 VAL 28 1HG2 VAL 28 9.945 2.860 -5.412
191 HG23 VAL 28 2HG2 VAL 28 10.752 1.380 -4.895
192 H THR 29 H THR 29 8.471 2.418 -8.914
193 HA THR 29 HA THR 29 9.683 1.438 -11.407
194 HB THR 29 HB THR 29 7.255 1.788 -12.358
195 HG1 THR 29 HG1 THR 29 6.423 2.467 -10.282
196 HG21 THR 29 3HG2 THR 29 8.567 -0.529 -11.094
197 HG22 THR 29 1HG2 THR 29 7.914 -0.344 -12.721
198 HG23 THR 29 2HG2 THR 29 6.833 -0.696 -11.372
199 H VAL 30 H VAL 30 10.433 3.786 -10.163
200 HA VAL 30 HA VAL 30 9.101 5.885 -11.740
201 HB VAL 30 HB VAL 30 10.858 6.183 -9.300
202 HG11 VAL 30 1HG1 VAL 30 9.700 8.112 -11.226
203 HG12 VAL 30 2HG1 VAL 30 9.648 8.549 -9.518
204 HG13 VAL 30 3HG1 VAL 30 11.193 8.198 -10.292
205 HG21 VAL 30 3HG2 VAL 30 8.901 6.658 -8.060
206 HG22 VAL 30 1HG2 VAL 30 7.909 6.735 -9.517
207 HG23 VAL 30 2HG2 VAL 30 8.554 5.187 -8.969
208 H GLY 31 H GLY 31 10.243 7.131 -13.152
209 HA2 GLY 31 1HA GLY 31 12.091 7.982 -14.278
210 HA3 GLY 31 2HA GLY 31 13.135 7.065 -13.203
211 H CYS 32 H CYS 32 11.039 4.818 -14.135
212 HA CYS 32 HA CYS 32 12.781 3.918 -16.311
213 HB2 CYS 32 1HB CYS 32 11.051 2.555 -14.305
214 HB3 CYS 32 2HB CYS 32 11.275 1.763 -15.861
215 H SER 33 H SER 33 11.406 2.329 -17.838
216 HA SER 33 HA SER 33 9.547 4.092 -19.189
217 HB2 SER 33 1HB SER 33 10.010 1.344 -20.214
218 HB3 SER 33 2HB SER 33 9.982 2.881 -21.078
219 HG SER 33 HG SER 33 12.052 3.316 -20.158
220 H GLY 34 H GLY 34 7.450 3.342 -19.958
221 HA2 GLY 34 1HA GLY 34 5.857 2.308 -17.876
222 HA3 GLY 34 2HA GLY 34 5.337 2.551 -19.537
223 H GLY 35 H GLY 35 6.578 0.282 -17.213
224 HA2 GLY 35 1HA GLY 35 5.522 -1.993 -17.658
225 HA3 GLY 35 2HA GLY 35 6.335 -1.875 -19.212
226 H PHE 36 H PHE 36 8.343 -0.394 -17.108
227 HA PHE 36 HA PHE 36 9.692 -2.885 -16.319
228 HB2 PHE 36 1HB PHE 36 11.082 -0.449 -17.453
229 HB3 PHE 36 2HB PHE 36 11.846 -1.956 -16.958
230 HD1 PHE 36 HD1 PHE 36 9.521 -0.464 -19.415
231 HD2 PHE 36 HD2 PHE 36 12.008 -3.775 -18.431
232 HE1 PHE 36 HE1 PHE 36 9.240 -1.348 -21.694
233 HE2 PHE 36 HE2 PHE 36 11.732 -4.664 -20.709
234 HZ PHE 36 HZ PHE 36 10.345 -3.451 -22.343
235 H GLY 37 H GLY 37 10.344 -2.940 -14.257
236 HA2 GLY 37 1HA GLY 37 10.412 -0.380 -12.779
237 HA3 GLY 37 2HA GLY 37 9.758 -1.860 -12.093
238 H CYS 38 H CYS 38 11.370 -1.179 -10.393
239 HA CYS 38 HA CYS 38 13.813 -2.703 -10.816
240 HB2 CYS 38 1HB CYS 38 15.069 -0.743 -9.637
241 HB3 CYS 38 2HB CYS 38 14.777 -0.664 -11.371
242 H CYS 39 H CYS 39 14.638 -3.605 -8.959
243 HA CYS 39 HA CYS 39 13.076 -3.130 -6.504
244 HB2 CYS 39 1HB CYS 39 13.120 -5.454 -7.855
245 HB3 CYS 39 2HB CYS 39 14.535 -5.694 -6.835
246 H ARG 40 H ARG 40 14.292 -3.756 -4.480
247 HA ARG 40 HA ARG 40 16.616 -2.203 -4.252
248 HB2 ARG 40 1HB ARG 40 15.656 -4.389 -2.397
249 HB3 ARG 40 2HB ARG 40 16.797 -3.114 -1.991
250 HG2 ARG 40 1HG ARG 40 14.028 -2.467 -2.929
251 HG3 ARG 40 2HG ARG 40 14.358 -2.863 -1.241
252 HD2 ARG 40 1HD ARG 40 15.895 -0.747 -2.721
253 HD3 ARG 40 2HD ARG 40 14.378 -0.397 -1.894
254 HE ARG 40 HE ARG 40 15.663 -1.455 0.105
255 HH11 ARG 40 1HH1 ARG 40 16.968 0.620 -2.368
256 HH12 ARG 40 2HH1 ARG 40 18.197 1.286 -1.344
257 HH21 ARG 40 1HH2 ARG 40 17.277 -0.586 1.463
258 HH22 ARG 40 2HH2 ARG 40 18.372 0.599 0.834
259 H ILE 41 H ILE 41 18.576 -2.627 -5.001
260 HA ILE 41 HA ILE 41 19.410 -5.433 -5.287
261 HB ILE 41 HB ILE 41 20.494 -2.965 -6.650
262 HG12 ILE 41 1HG1 ILE 41 19.189 -5.263 -8.056
263 HG13 ILE 41 2HG1 ILE 41 18.177 -4.054 -7.272
264 HG21 ILE 41 1HG2 ILE 41 21.606 -5.603 -6.277
265 HG22 ILE 41 2HG2 ILE 41 21.376 -5.240 -7.986
266 HG23 ILE 41 3HG2 ILE 41 22.341 -4.162 -6.978
267 HD11 ILE 41 3HD1 ILE 41 19.873 -3.842 -9.680
268 HD12 ILE 41 1HD1 ILE 41 18.299 -3.129 -9.329
269 HD13 ILE 41 2HD1 ILE 41 19.762 -2.421 -8.642
270 H GLY 42 H GLY 42 20.721 -2.233 -4.409
271 HA2 GLY 42 1HA GLY 42 22.191 -1.661 -2.723
272 HA3 GLY 42 2HA GLY 42 22.096 -3.317 -2.141
Start of MODEL 8
1 H1 ASP 1 1H ASP 1 -0.060 0.315 -2.653
2 HA ASP 1 HA ASP 1 2.665 -0.188 -3.653
3 HB2 ASP 1 1HB ASP 1 0.257 1.023 -5.019
4 HB3 ASP 1 2HB ASP 1 1.881 1.059 -5.702
5 H ASP 2 H ASP 2 2.908 1.144 -1.472
6 HA ASP 2 HA ASP 2 3.089 3.985 -2.237
7 HB2 ASP 2 1HB ASP 2 1.925 2.736 0.103
8 HB3 ASP 2 2HB ASP 2 3.205 3.857 0.559
9 H THR 3 H THR 3 5.173 3.995 -2.976
10 HA THR 3 HA THR 3 7.275 2.944 -1.225
11 HB THR 3 HB THR 3 8.571 3.894 -3.455
12 HG1 THR 3 HG1 THR 3 7.326 3.407 -5.222
13 HG21 THR 3 3HG2 THR 3 9.171 1.725 -3.721
14 HG22 THR 3 1HG2 THR 3 7.507 1.145 -3.667
15 HG23 THR 3 2HG2 THR 3 8.354 1.536 -2.170
16 HA PRO 4 HA PRO 4 8.693 6.875 0.115
17 HB2 PRO 4 1HB PRO 4 11.389 6.557 0.082
18 HB3 PRO 4 2HB PRO 4 10.344 5.775 1.274
19 HG2 PRO 4 1HG PRO 4 11.533 4.648 -1.231
20 HG3 PRO 4 2HG PRO 4 11.401 3.909 0.375
21 HD2 PRO 4 1HD PRO 4 9.700 3.315 -1.647
22 HD3 PRO 4 2HD PRO 4 9.198 3.310 0.056
23 H SER 5 H SER 5 10.663 8.490 -0.451
24 HA SER 5 HA SER 5 10.117 9.351 -3.146
25 HB2 SER 5 1HB SER 5 11.834 10.519 -0.947
26 HB3 SER 5 2HB SER 5 11.610 11.280 -2.522
27 HG SER 5 HG SER 5 9.496 11.620 -2.069
28 H SER 6 H SER 6 11.205 7.112 -3.718
29 HA SER 6 HA SER 6 14.083 7.545 -4.147
30 HB2 SER 6 1HB SER 6 12.557 4.942 -4.373
31 HB3 SER 6 2HB SER 6 14.308 5.152 -4.386
32 HG SER 6 HG SER 6 14.249 5.058 -2.300
33 H ARG 7 H ARG 7 14.512 5.771 -6.210
34 HA ARG 7 HA ARG 7 12.773 5.992 -8.397
35 HB2 ARG 7 1HB ARG 7 13.222 8.361 -8.356
36 HB3 ARG 7 2HB ARG 7 14.956 8.076 -8.281
37 HG2 ARG 7 1HG ARG 7 14.848 7.058 -10.530
38 HG3 ARG 7 2HG ARG 7 13.134 7.473 -10.600
39 HD2 ARG 7 1HD ARG 7 14.530 9.809 -9.843
40 HD3 ARG 7 2HD ARG 7 15.406 9.097 -11.197
41 HE ARG 7 HE ARG 7 13.638 9.599 -12.575
42 HH11 ARG 7 1HH1 ARG 7 12.685 10.008 -9.251
43 HH12 ARG 7 2HH1 ARG 7 11.182 10.776 -9.640
44 HH21 ARG 7 1HH2 ARG 7 11.661 10.609 -13.100
45 HH22 ARG 7 2HH2 ARG 7 10.600 11.117 -11.830
46 H CYS 8 H CYS 8 13.569 4.958 -10.252
47 HA CYS 8 HA CYS 8 15.464 2.951 -9.830
48 HB2 CYS 8 1HB CYS 8 14.219 4.090 -12.322
49 HB3 CYS 8 2HB CYS 8 15.409 2.796 -12.405
50 H GLY 9 H GLY 9 17.608 3.005 -9.763
51 HA2 GLY 9 1HA GLY 9 19.784 3.586 -10.241
52 HA3 GLY 9 2HA GLY 9 19.180 4.490 -11.622
53 H SER 10 H SER 10 18.090 5.079 -8.351
54 HA SER 10 HA SER 10 19.525 7.654 -8.406
55 HB2 SER 10 1HB SER 10 16.931 7.611 -8.598
56 HB3 SER 10 2HB SER 10 16.971 7.234 -6.876
57 HG SER 10 HG SER 10 18.499 9.385 -7.800
58 H GLY 11 H GLY 11 19.041 4.727 -6.757
59 HA2 GLY 11 1HA GLY 11 20.846 5.581 -4.648
60 HA3 GLY 11 2HA GLY 11 19.240 5.112 -4.111
61 H GLY 12 H GLY 12 18.564 2.935 -4.364
62 HA2 GLY 12 1HA GLY 12 20.838 1.072 -4.636
63 HA3 GLY 12 2HA GLY 12 19.443 0.796 -3.603
64 H TRP 13 H TRP 13 18.035 2.068 -6.175
65 HA TRP 13 HA TRP 13 17.323 -0.530 -7.247
66 HB2 TRP 13 1HB TRP 13 16.263 2.116 -8.216
67 HB3 TRP 13 2HB TRP 13 15.483 0.537 -8.265
68 HD1 TRP 13 HD1 TRP 13 16.006 3.544 -6.019
69 HE1 TRP 13 HE1 TRP 13 14.562 3.280 -3.905
70 HE3 TRP 13 HE3 TRP 13 14.492 -1.295 -6.669
71 HZ2 TRP 13 HZ2 TRP 13 12.989 1.284 -2.675
72 HZ3 TRP 13 HZ3 TRP 13 13.019 -2.308 -4.978
73 HH2 TRP 13 HH2 TRP 13 12.285 -1.043 -3.023
74 H GLY 14 H GLY 14 17.876 -1.325 -9.203
75 HA2 GLY 14 1HA GLY 14 20.122 -0.345 -10.558
76 HA3 GLY 14 2HA GLY 14 19.004 -1.544 -11.189
77 HA PRO 15 HA PRO 15 18.784 2.290 -13.821
78 HB2 PRO 15 1HB PRO 15 19.106 0.991 -16.183
79 HB3 PRO 15 2HB PRO 15 20.465 1.565 -15.210
80 HG2 PRO 15 1HG PRO 15 19.299 -1.186 -15.400
81 HG3 PRO 15 2HG PRO 15 21.002 -0.692 -15.365
82 HD2 PRO 15 1HD PRO 15 19.718 -1.649 -13.182
83 HD3 PRO 15 2HD PRO 15 21.012 -0.439 -13.074
84 H CYS 16 H CYS 16 17.592 -0.894 -14.921
85 HA CYS 16 HA CYS 16 14.861 -0.241 -14.601
86 HB2 CYS 16 1HB CYS 16 16.128 0.549 -17.117
87 HB3 CYS 16 2HB CYS 16 14.732 -0.499 -17.348
88 H LEU 17 H LEU 17 13.865 -2.120 -14.324
89 HA LEU 17 HA LEU 17 14.835 -4.468 -15.811
90 HB2 LEU 17 1HB LEU 17 15.654 -4.724 -13.595
91 HB3 LEU 17 2HB LEU 17 14.103 -4.257 -12.902
92 HG LEU 17 HG LEU 17 13.424 -6.480 -14.333
93 HD11 LEU 17 1HD1 LEU 17 16.007 -7.226 -13.015
94 HD12 LEU 17 2HD1 LEU 17 15.957 -6.738 -14.708
95 HD13 LEU 17 3HD1 LEU 17 15.038 -8.143 -14.169
96 HD21 LEU 17 3HD2 LEU 17 14.404 -6.960 -11.590
97 HD22 LEU 17 1HD2 LEU 17 12.827 -7.289 -12.310
98 HD23 LEU 17 2HD2 LEU 17 13.234 -5.654 -11.787
99 HA PRO 18 HA PRO 18 10.629 -4.932 -17.041
100 HB2 PRO 18 1HB PRO 18 10.711 -7.540 -17.790
101 HB3 PRO 18 2HB PRO 18 11.435 -6.242 -18.747
102 HG2 PRO 18 1HG PRO 18 12.741 -8.147 -16.843
103 HG3 PRO 18 2HG PRO 18 13.294 -7.604 -18.438
104 HD2 PRO 18 1HD PRO 18 14.270 -6.578 -16.130
105 HD3 PRO 18 2HD PRO 18 14.118 -5.615 -17.614
106 H ILE 19 H ILE 19 8.902 -5.150 -15.777
107 HA ILE 19 HA ILE 19 8.885 -6.388 -13.283
108 HB ILE 19 HB ILE 19 6.469 -5.882 -15.022
109 HG12 ILE 19 1HG1 ILE 19 7.860 -4.044 -13.061
110 HG13 ILE 19 2HG1 ILE 19 7.863 -3.866 -14.812
111 HG21 ILE 19 1HG2 ILE 19 6.793 -6.958 -12.392
112 HG22 ILE 19 2HG2 ILE 19 5.946 -5.415 -12.297
113 HG23 ILE 19 3HG2 ILE 19 5.313 -6.706 -13.317
114 HD11 ILE 19 3HD1 ILE 19 5.338 -3.706 -14.644
115 HD12 ILE 19 1HD1 ILE 19 5.576 -3.516 -12.907
116 HD13 ILE 19 2HD1 ILE 19 6.272 -2.343 -14.026
117 H VAL 20 H VAL 20 8.523 -7.740 -16.415
118 HA VAL 20 HA VAL 20 6.946 -9.987 -15.900
119 HB VAL 20 HB VAL 20 7.744 -9.201 -18.159
120 HG11 VAL 20 1HG1 VAL 20 10.233 -9.398 -17.123
121 HG12 VAL 20 2HG1 VAL 20 10.119 -10.929 -17.993
122 HG13 VAL 20 3HG1 VAL 20 9.877 -9.406 -18.850
123 HG21 VAL 20 3HG2 VAL 20 8.100 -12.121 -17.488
124 HG22 VAL 20 1HG2 VAL 20 6.581 -11.316 -17.883
125 HG23 VAL 20 2HG2 VAL 20 7.843 -11.468 -19.106
126 H ASP 21 H ASP 21 10.166 -9.245 -14.936
127 HA ASP 21 HA ASP 21 10.553 -12.020 -14.022
128 HB2 ASP 21 1HB ASP 21 12.373 -10.058 -15.232
129 HB3 ASP 21 2HB ASP 21 13.023 -10.847 -13.797
130 H LEU 22 H LEU 22 9.668 -9.031 -12.975
131 HA LEU 22 HA LEU 22 11.068 -8.411 -10.717
132 HB2 LEU 22 1HB LEU 22 8.675 -7.640 -11.810
133 HB3 LEU 22 2HB LEU 22 8.180 -8.347 -10.274
134 HG LEU 22 HG LEU 22 9.978 -6.786 -9.252
135 HD11 LEU 22 1HD1 LEU 22 9.430 -4.851 -11.362
136 HD12 LEU 22 2HD1 LEU 22 10.445 -6.194 -11.887
137 HD13 LEU 22 3HD1 LEU 22 10.931 -5.207 -10.508
138 HD21 LEU 22 3HD2 LEU 22 7.381 -6.659 -9.235
139 HD22 LEU 22 1HD2 LEU 22 7.619 -5.327 -10.367
140 HD23 LEU 22 2HD2 LEU 22 8.327 -5.249 -8.753
141 H LEU 23 H LEU 23 10.709 -8.854 -8.448
142 HA LEU 23 HA LEU 23 9.456 -11.439 -7.867
143 HB2 LEU 23 1HB LEU 23 11.662 -12.138 -8.064
144 HB3 LEU 23 2HB LEU 23 12.297 -10.648 -7.370
145 HG LEU 23 HG LEU 23 10.686 -12.430 -5.616
146 HD11 LEU 23 1HD1 LEU 23 12.175 -14.104 -5.449
147 HD12 LEU 23 2HD1 LEU 23 13.559 -13.042 -5.708
148 HD13 LEU 23 3HD1 LEU 23 12.620 -13.617 -7.085
149 HD21 LEU 23 3HD2 LEU 23 11.362 -10.625 -4.408
150 HD22 LEU 23 1HD2 LEU 23 12.814 -10.377 -5.378
151 HD23 LEU 23 2HD2 LEU 23 12.773 -11.656 -4.165
152 H CYS 24 H CYS 24 10.148 -8.226 -7.021
153 HA CYS 24 HA CYS 24 9.212 -8.621 -4.265
154 HB2 CYS 24 1HB CYS 24 10.063 -5.922 -5.071
155 HB3 CYS 24 2HB CYS 24 10.481 -6.855 -3.638
156 H ILE 25 H ILE 25 7.850 -6.703 -3.448
157 HA ILE 25 HA ILE 25 5.819 -6.055 -5.484
158 HB ILE 25 HB ILE 25 5.331 -6.503 -2.538
159 HG12 ILE 25 1HG1 ILE 25 4.592 -8.269 -4.880
160 HG13 ILE 25 2HG1 ILE 25 5.933 -8.577 -3.783
161 HG21 ILE 25 1HG2 ILE 25 3.472 -5.957 -4.844
162 HG22 ILE 25 2HG2 ILE 25 2.941 -6.493 -3.251
163 HG23 ILE 25 3HG2 ILE 25 3.756 -4.940 -3.432
164 HD11 ILE 25 3HD1 ILE 25 3.767 -8.244 -2.104
165 HD12 ILE 25 1HD1 ILE 25 3.116 -9.143 -3.474
166 HD13 ILE 25 2HD1 ILE 25 4.503 -9.772 -2.585
167 H VAL 26 H VAL 26 7.594 -4.958 -2.657
168 HA VAL 26 HA VAL 26 6.405 -2.307 -2.801
169 HB VAL 26 HB VAL 26 8.672 -3.121 -0.997
170 HG11 VAL 26 1HG1 VAL 26 8.402 -0.838 -0.811
171 HG12 VAL 26 2HG1 VAL 26 6.658 -0.916 -1.072
172 HG13 VAL 26 3HG1 VAL 26 7.345 -1.428 0.471
173 HG21 VAL 26 3HG2 VAL 26 7.100 -4.786 -0.511
174 HG22 VAL 26 1HG2 VAL 26 6.790 -3.534 0.691
175 HG23 VAL 26 2HG2 VAL 26 5.737 -3.686 -0.716
176 H HIS 27 H HIS 27 8.388 -3.637 -4.794
177 HA HIS 27 HA HIS 27 10.808 -2.260 -4.774
178 HB2 HIS 27 1HB HIS 27 11.091 -2.958 -7.007
179 HB3 HIS 27 2HB HIS 27 10.076 -4.200 -6.279
180 HD1 HIS 27 HD1 HIS 27 10.295 -3.148 -9.386
181 HD2 HIS 27 HD2 HIS 27 7.182 -2.629 -6.684
182 HE1 HIS 27 HE1 HIS 27 8.246 -2.751 -10.789
183 H VAL 28 H VAL 28 11.166 -0.845 -7.032
184 HA VAL 28 HA VAL 28 9.307 1.430 -6.778
185 HB VAL 28 HB VAL 28 12.306 1.420 -6.932
186 HG11 VAL 28 1HG1 VAL 28 11.731 2.910 -8.686
187 HG12 VAL 28 2HG1 VAL 28 10.440 3.642 -7.732
188 HG13 VAL 28 3HG1 VAL 28 12.126 3.907 -7.287
189 HG21 VAL 28 3HG2 VAL 28 12.157 2.871 -5.027
190 HG22 VAL 28 1HG2 VAL 28 10.408 3.004 -5.208
191 HG23 VAL 28 2HG2 VAL 28 11.131 1.467 -4.735
192 H THR 29 H THR 29 8.698 2.478 -8.633
193 HA THR 29 HA THR 29 9.797 1.491 -11.175
194 HB THR 29 HB THR 29 7.306 1.815 -11.993
195 HG1 THR 29 HG1 THR 29 6.871 0.897 -9.339
196 HG21 THR 29 3HG2 THR 29 8.019 -0.292 -12.426
197 HG22 THR 29 1HG2 THR 29 6.991 -0.690 -11.050
198 HG23 THR 29 2HG2 THR 29 8.729 -0.495 -10.825
199 H VAL 30 H VAL 30 10.538 3.873 -9.947
200 HA VAL 30 HA VAL 30 9.117 5.928 -11.504
201 HB VAL 30 HB VAL 30 11.031 6.450 -9.236
202 HG11 VAL 30 1HG1 VAL 30 8.812 8.166 -10.331
203 HG12 VAL 30 2HG1 VAL 30 10.082 8.633 -9.198
204 HG13 VAL 30 3HG1 VAL 30 10.486 8.269 -10.876
205 HG21 VAL 30 3HG2 VAL 30 8.484 6.950 -8.282
206 HG22 VAL 30 1HG2 VAL 30 8.321 5.417 -9.139
207 HG23 VAL 30 2HG2 VAL 30 9.512 5.585 -7.849
208 H GLY 31 H GLY 31 10.201 7.214 -12.936
209 HA2 GLY 31 1HA GLY 31 12.009 8.103 -14.101
210 HA3 GLY 31 2HA GLY 31 13.093 7.172 -13.078
211 H CYS 32 H CYS 32 10.986 4.925 -13.970
212 HA CYS 32 HA CYS 32 12.640 4.093 -16.243
213 HB2 CYS 32 1HB CYS 32 11.096 2.667 -14.144
214 HB3 CYS 32 2HB CYS 32 11.178 1.903 -15.728
215 H SER 33 H SER 33 11.207 2.476 -17.701
216 HA SER 33 HA SER 33 9.218 4.212 -18.907
217 HB2 SER 33 1HB SER 33 10.797 1.851 -19.768
218 HB3 SER 33 2HB SER 33 9.214 2.054 -20.517
219 HG SER 33 HG SER 33 9.958 3.688 -21.609
220 H GLY 34 H GLY 34 7.067 3.639 -19.314
221 HA2 GLY 34 1HA GLY 34 5.684 2.372 -17.265
222 HA3 GLY 34 2HA GLY 34 5.028 2.683 -18.866
223 H GLY 35 H GLY 35 6.204 0.319 -16.691
224 HA2 GLY 35 1HA GLY 35 5.243 -1.938 -17.236
225 HA3 GLY 35 2HA GLY 35 6.007 -1.735 -18.805
226 H PHE 36 H PHE 36 8.124 -0.329 -16.823
227 HA PHE 36 HA PHE 36 9.475 -2.835 -16.086
228 HB2 PHE 36 1HB PHE 36 10.838 -0.438 -17.330
229 HB3 PHE 36 2HB PHE 36 11.602 -1.954 -16.866
230 HD1 PHE 36 HD1 PHE 36 9.168 -0.437 -19.197
231 HD2 PHE 36 HD2 PHE 36 11.634 -3.794 -18.323
232 HE1 PHE 36 HE1 PHE 36 8.733 -1.338 -21.445
233 HE2 PHE 36 HE2 PHE 36 11.204 -4.700 -20.570
234 HZ PHE 36 HZ PHE 36 9.751 -3.472 -22.134
235 H GLY 37 H GLY 37 10.245 -2.879 -14.066
236 HA2 GLY 37 1HA GLY 37 10.445 -0.304 -12.626
237 HA3 GLY 37 2HA GLY 37 9.811 -1.765 -11.883
238 H CYS 38 H CYS 38 11.539 -1.079 -10.297
239 HA CYS 38 HA CYS 38 13.966 -2.589 -10.907
240 HB2 CYS 38 1HB CYS 38 14.115 0.135 -9.613
241 HB3 CYS 38 2HB CYS 38 15.451 -0.873 -10.160
242 H CYS 39 H CYS 39 14.869 -3.618 -9.161
243 HA CYS 39 HA CYS 39 13.406 -3.351 -6.617
244 HB2 CYS 39 1HB CYS 39 14.159 -5.684 -8.213
245 HB3 CYS 39 2HB CYS 39 14.639 -5.821 -6.524
246 H ARG 40 H ARG 40 14.668 -3.920 -4.669
247 HA ARG 40 HA ARG 40 16.995 -2.387 -4.465
248 HB2 ARG 40 1HB ARG 40 16.100 -4.636 -2.652
249 HB3 ARG 40 2HB ARG 40 17.252 -3.372 -2.240
250 HG2 ARG 40 1HG ARG 40 14.455 -2.702 -3.072
251 HG3 ARG 40 2HG ARG 40 14.838 -3.149 -1.408
252 HD2 ARG 40 1HD ARG 40 16.322 -0.984 -2.870
253 HD3 ARG 40 2HD ARG 40 14.834 -0.664 -1.981
254 HE ARG 40 HE ARG 40 16.188 -1.781 -0.061
255 HH11 ARG 40 1HH1 ARG 40 17.407 0.370 -2.511
256 HH12 ARG 40 2HH1 ARG 40 18.670 1.005 -1.510
257 HH21 ARG 40 1HH2 ARG 40 17.847 -0.953 1.267
258 HH22 ARG 40 2HH2 ARG 40 18.920 0.251 0.639
259 H ILE 41 H ILE 41 18.788 -2.817 -5.591
260 HA ILE 41 HA ILE 41 19.662 -5.579 -5.949
261 HB ILE 41 HB ILE 41 20.999 -3.115 -7.051
262 HG12 ILE 41 1HG1 ILE 41 18.757 -4.756 -8.248
263 HG13 ILE 41 2HG1 ILE 41 18.683 -3.061 -7.779
264 HG21 ILE 41 1HG2 ILE 41 22.195 -4.518 -8.411
265 HG22 ILE 41 2HG2 ILE 41 22.019 -5.534 -6.981
266 HG23 ILE 41 3HG2 ILE 41 20.965 -5.781 -8.374
267 HD11 ILE 41 3HD1 ILE 41 20.368 -4.218 -9.986
268 HD12 ILE 41 1HD1 ILE 41 18.881 -3.291 -10.180
269 HD13 ILE 41 2HD1 ILE 41 20.320 -2.521 -9.511
270 H GLY 42 H GLY 42 21.027 -2.487 -4.807
271 HA2 GLY 42 1HA GLY 42 22.757 -4.044 -2.999
272 HA3 GLY 42 2HA GLY 42 23.443 -2.769 -3.995
Start of MODEL 9
1 H1 ASP 1 1H ASP 1 2.258 0.521 -2.497
2 HA ASP 1 HA ASP 1 2.883 2.085 -4.104
3 HB2 ASP 1 1HB ASP 1 1.188 3.835 -4.815
4 HB3 ASP 1 2HB ASP 1 0.794 2.170 -5.234
5 H ASP 2 H ASP 2 3.204 2.149 -1.265
6 HA ASP 2 HA ASP 2 3.293 5.061 -0.811
7 HB2 ASP 2 1HB ASP 2 3.083 2.903 1.300
8 HB3 ASP 2 2HB ASP 2 3.076 4.643 1.575
9 H THR 3 H THR 3 5.365 4.653 -2.078
10 HA THR 3 HA THR 3 7.516 3.630 -0.363
11 HB THR 3 HB THR 3 8.791 4.187 -2.672
12 HG1 THR 3 HG1 THR 3 7.447 3.831 -4.403
13 HG21 THR 3 3HG2 THR 3 7.231 1.654 -2.654
14 HG22 THR 3 1HG2 THR 3 8.307 1.971 -1.294
15 HG23 THR 3 2HG2 THR 3 8.951 1.919 -2.935
16 HA PRO 4 HA PRO 4 9.211 7.588 0.484
17 HB2 PRO 4 1HB PRO 4 11.880 7.117 0.330
18 HB3 PRO 4 2HB PRO 4 10.873 6.517 1.654
19 HG2 PRO 4 1HG PRO 4 11.845 5.082 -0.786
20 HG3 PRO 4 2HG PRO 4 11.776 4.514 0.892
21 HD2 PRO 4 1HD PRO 4 9.925 3.819 -0.958
22 HD3 PRO 4 2HD PRO 4 9.530 4.012 0.762
23 H SER 5 H SER 5 11.294 8.971 -0.366
24 HA SER 5 HA SER 5 10.590 9.643 -3.078
25 HB2 SER 5 1HB SER 5 12.699 10.847 -1.269
26 HB3 SER 5 2HB SER 5 12.119 11.537 -2.784
27 HG SER 5 HG SER 5 10.479 12.326 -1.749
28 H SER 6 H SER 6 11.460 7.243 -3.452
29 HA SER 6 HA SER 6 14.294 7.429 -4.229
30 HB2 SER 6 1HB SER 6 12.558 5.064 -3.526
31 HB3 SER 6 2HB SER 6 14.100 4.876 -4.360
32 HG SER 6 HG SER 6 13.723 6.153 -1.851
33 H ARG 7 H ARG 7 14.929 6.499 -6.264
34 HA ARG 7 HA ARG 7 12.827 5.993 -8.212
35 HB2 ARG 7 1HB ARG 7 12.999 8.337 -8.502
36 HB3 ARG 7 2HB ARG 7 14.752 8.302 -8.374
37 HG2 ARG 7 1HG ARG 7 15.033 7.551 -10.530
38 HG3 ARG 7 2HG ARG 7 13.417 6.844 -10.605
39 HD2 ARG 7 1HD ARG 7 12.952 8.676 -11.830
40 HD3 ARG 7 2HD ARG 7 12.796 9.446 -10.251
41 HE ARG 7 HE ARG 7 14.581 10.736 -10.809
42 HH11 ARG 7 1HH1 ARG 7 14.777 7.767 -12.617
43 HH12 ARG 7 2HH1 ARG 7 16.201 8.237 -13.484
44 HH21 ARG 7 1HH2 ARG 7 16.457 11.366 -11.944
45 HH22 ARG 7 2HH2 ARG 7 17.157 10.283 -13.100
46 H CYS 8 H CYS 8 13.531 4.870 -10.052
47 HA CYS 8 HA CYS 8 15.537 3.006 -9.707
48 HB2 CYS 8 1HB CYS 8 14.266 4.076 -12.227
49 HB3 CYS 8 2HB CYS 8 15.403 2.731 -12.233
50 H GLY 9 H GLY 9 17.679 3.130 -9.702
51 HA2 GLY 9 1HA GLY 9 19.817 3.741 -10.334
52 HA3 GLY 9 2HA GLY 9 19.115 4.728 -11.607
53 H SER 10 H SER 10 17.987 5.215 -8.388
54 HA SER 10 HA SER 10 19.560 7.703 -8.242
55 HB2 SER 10 1HB SER 10 17.703 8.881 -7.708
56 HB3 SER 10 2HB SER 10 16.834 7.517 -8.412
57 HG SER 10 HG SER 10 17.030 8.314 -5.795
58 H GLY 11 H GLY 11 18.573 4.811 -6.630
59 HA2 GLY 11 1HA GLY 11 20.342 5.507 -4.391
60 HA3 GLY 11 2HA GLY 11 18.706 4.972 -4.036
61 H GLY 12 H GLY 12 18.260 2.831 -3.988
62 HA2 GLY 12 1HA GLY 12 20.542 1.033 -4.429
63 HA3 GLY 12 2HA GLY 12 19.138 0.683 -3.431
64 H TRP 13 H TRP 13 17.743 2.002 -5.989
65 HA TRP 13 HA TRP 13 17.123 -0.578 -7.158
66 HB2 TRP 13 1HB TRP 13 16.005 2.067 -8.063
67 HB3 TRP 13 2HB TRP 13 15.271 0.470 -8.172
68 HD1 TRP 13 HD1 TRP 13 15.681 3.418 -5.825
69 HE1 TRP 13 HE1 TRP 13 14.207 3.054 -3.747
70 HE3 TRP 13 HE3 TRP 13 14.294 -1.432 -6.654
71 HZ2 TRP 13 HZ2 TRP 13 12.661 0.984 -2.609
72 HZ3 TRP 13 HZ3 TRP 13 12.817 -2.532 -5.023
73 HH2 TRP 13 HH2 TRP 13 12.019 -1.347 -3.043
74 H GLY 14 H GLY 14 17.753 -1.300 -9.116
75 HA2 GLY 14 1HA GLY 14 19.985 -0.199 -10.399
76 HA3 GLY 14 2HA GLY 14 18.926 -1.423 -11.083
77 HA PRO 15 HA PRO 15 18.608 2.472 -13.617
78 HB2 PRO 15 1HB PRO 15 19.036 1.254 -16.005
79 HB3 PRO 15 2HB PRO 15 20.348 1.856 -14.985
80 HG2 PRO 15 1HG PRO 15 19.304 -0.934 -15.276
81 HG3 PRO 15 2HG PRO 15 20.984 -0.371 -15.189
82 HD2 PRO 15 1HD PRO 15 19.693 -1.441 -13.062
83 HD3 PRO 15 2HD PRO 15 20.932 -0.182 -12.892
84 H CYS 16 H CYS 16 17.568 -0.737 -14.799
85 HA CYS 16 HA CYS 16 14.809 -0.205 -14.535
86 HB2 CYS 16 1HB CYS 16 16.091 0.713 -16.998
87 HB3 CYS 16 2HB CYS 16 14.752 -0.391 -17.291
88 H LEU 17 H LEU 17 13.884 -2.130 -14.337
89 HA LEU 17 HA LEU 17 14.990 -4.393 -15.860
90 HB2 LEU 17 1HB LEU 17 15.761 -4.684 -13.634
91 HB3 LEU 17 2HB LEU 17 14.180 -4.288 -12.965
92 HG LEU 17 HG LEU 17 13.616 -6.497 -14.471
93 HD11 LEU 17 1HD1 LEU 17 16.296 -6.990 -13.186
94 HD12 LEU 17 2HD1 LEU 17 16.034 -6.805 -14.920
95 HD13 LEU 17 3HD1 LEU 17 15.300 -8.157 -14.057
96 HD21 LEU 17 3HD2 LEU 17 14.529 -7.010 -11.712
97 HD22 LEU 17 1HD2 LEU 17 12.986 -7.371 -12.486
98 HD23 LEU 17 2HD2 LEU 17 13.323 -5.738 -11.913
99 HA PRO 18 HA PRO 18 10.842 -5.000 -17.217
100 HB2 PRO 18 1HB PRO 18 11.052 -7.584 -18.024
101 HB3 PRO 18 2HB PRO 18 11.748 -6.235 -18.930
102 HG2 PRO 18 1HG PRO 18 13.079 -8.131 -17.035
103 HG3 PRO 18 2HG PRO 18 13.653 -7.527 -18.600
104 HD2 PRO 18 1HD PRO 18 14.522 -6.518 -16.242
105 HD3 PRO 18 2HD PRO 18 14.371 -5.527 -17.707
106 H ILE 19 H ILE 19 9.089 -5.322 -16.011
107 HA ILE 19 HA ILE 19 9.058 -6.624 -13.547
108 HB ILE 19 HB ILE 19 6.664 -6.176 -15.330
109 HG12 ILE 19 1HG1 ILE 19 7.957 -4.313 -13.325
110 HG13 ILE 19 2HG1 ILE 19 7.962 -4.108 -15.073
111 HG21 ILE 19 1HG2 ILE 19 6.971 -7.298 -12.728
112 HG22 ILE 19 2HG2 ILE 19 6.099 -5.771 -12.593
113 HG23 ILE 19 3HG2 ILE 19 5.493 -7.041 -13.657
114 HD11 ILE 19 3HD1 ILE 19 6.045 -3.224 -13.184
115 HD12 ILE 19 1HD1 ILE 19 6.075 -2.974 -14.929
116 HD13 ILE 19 2HD1 ILE 19 5.272 -4.393 -14.254
117 H VAL 20 H VAL 20 8.842 -7.906 -16.719
118 HA VAL 20 HA VAL 20 7.335 -10.221 -16.314
119 HB VAL 20 HB VAL 20 8.177 -9.350 -18.525
120 HG11 VAL 20 1HG1 VAL 20 10.638 -9.496 -17.400
121 HG12 VAL 20 2HG1 VAL 20 10.606 -10.991 -18.337
122 HG13 VAL 20 3HG1 VAL 20 10.339 -9.442 -19.137
123 HG21 VAL 20 3HG2 VAL 20 7.515 -11.316 -19.327
124 HG22 VAL 20 1HG2 VAL 20 8.990 -12.099 -18.760
125 HG23 VAL 20 2HG2 VAL 20 7.598 -11.956 -17.686
126 H ASP 21 H ASP 21 10.510 -9.396 -15.250
127 HA ASP 21 HA ASP 21 10.950 -12.173 -14.366
128 HB2 ASP 21 1HB ASP 21 12.634 -10.577 -15.868
129 HB3 ASP 21 2HB ASP 21 13.275 -10.405 -14.237
130 H LEU 22 H LEU 22 9.946 -9.237 -13.295
131 HA LEU 22 HA LEU 22 11.278 -8.588 -11.007
132 HB2 LEU 22 1HB LEU 22 8.874 -7.907 -12.126
133 HB3 LEU 22 2HB LEU 22 8.380 -8.667 -10.615
134 HG LEU 22 HG LEU 22 10.090 -7.046 -9.529
135 HD11 LEU 22 1HD1 LEU 22 9.483 -5.086 -11.594
136 HD12 LEU 22 2HD1 LEU 22 10.553 -6.372 -12.151
137 HD13 LEU 22 3HD1 LEU 22 10.994 -5.407 -10.742
138 HD21 LEU 22 3HD2 LEU 22 7.498 -7.044 -9.533
139 HD22 LEU 22 1HD2 LEU 22 7.671 -5.694 -10.655
140 HD23 LEU 22 2HD2 LEU 22 8.361 -5.587 -9.036
141 H LEU 23 H LEU 23 10.856 -9.060 -8.740
142 HA LEU 23 HA LEU 23 9.757 -11.730 -8.227
143 HB2 LEU 23 1HB LEU 23 12.015 -12.269 -8.349
144 HB3 LEU 23 2HB LEU 23 12.515 -10.751 -7.606
145 HG LEU 23 HG LEU 23 10.962 -12.668 -5.947
146 HD11 LEU 23 1HD1 LEU 23 12.931 -13.944 -5.386
147 HD12 LEU 23 2HD1 LEU 23 13.899 -13.014 -6.529
148 HD13 LEU 23 3HD1 LEU 23 12.618 -14.073 -7.117
149 HD21 LEU 23 3HD2 LEU 23 11.468 -10.844 -4.686
150 HD22 LEU 23 1HD2 LEU 23 12.937 -10.484 -5.593
151 HD23 LEU 23 2HD2 LEU 23 12.933 -11.785 -4.402
152 H CYS 24 H CYS 24 10.186 -8.486 -7.334
153 HA CYS 24 HA CYS 24 9.158 -8.978 -4.624
154 HB2 CYS 24 1HB CYS 24 9.898 -6.222 -5.335
155 HB3 CYS 24 2HB CYS 24 10.312 -7.169 -3.909
156 H ILE 25 H ILE 25 7.657 -7.152 -3.846
157 HA ILE 25 HA ILE 25 5.697 -6.574 -5.972
158 HB ILE 25 HB ILE 25 5.120 -7.139 -3.061
159 HG12 ILE 25 1HG1 ILE 25 4.537 -8.795 -5.526
160 HG13 ILE 25 2HG1 ILE 25 5.790 -9.145 -4.340
161 HG21 ILE 25 1HG2 ILE 25 2.761 -7.098 -3.765
162 HG22 ILE 25 2HG2 ILE 25 3.557 -5.541 -3.989
163 HG23 ILE 25 3HG2 ILE 25 3.268 -6.592 -5.376
164 HD11 ILE 25 3HD1 ILE 25 2.922 -9.661 -4.254
165 HD12 ILE 25 1HD1 ILE 25 4.250 -10.458 -3.411
166 HD13 ILE 25 2HD1 ILE 25 3.572 -8.960 -2.773
167 H VAL 26 H VAL 26 7.215 -5.444 -3.000
168 HA VAL 26 HA VAL 26 5.930 -2.842 -3.217
169 HB VAL 26 HB VAL 26 6.345 -4.016 -1.002
170 HG11 VAL 26 1HG1 VAL 26 8.417 -4.361 -0.186
171 HG12 VAL 26 2HG1 VAL 26 8.877 -4.327 -1.889
172 HG13 VAL 26 3HG1 VAL 26 9.059 -2.880 -0.897
173 HG21 VAL 26 3HG2 VAL 26 7.621 -1.311 -1.005
174 HG22 VAL 26 1HG2 VAL 26 5.931 -1.494 -1.474
175 HG23 VAL 26 2HG2 VAL 26 6.460 -2.001 0.130
176 H HIS 27 H HIS 27 8.117 -4.047 -5.058
177 HA HIS 27 HA HIS 27 10.477 -2.591 -4.810
178 HB2 HIS 27 1HB HIS 27 10.952 -3.203 -7.044
179 HB3 HIS 27 2HB HIS 27 9.960 -4.513 -6.410
180 HD1 HIS 27 HD1 HIS 27 10.323 -3.401 -9.475
181 HD2 HIS 27 HD2 HIS 27 7.020 -3.070 -6.977
182 HE1 HIS 27 HE1 HIS 27 8.353 -3.077 -11.005
183 H VAL 28 H VAL 28 10.964 -1.108 -7.000
184 HA VAL 28 HA VAL 28 9.035 1.114 -6.807
185 HB VAL 28 HB VAL 28 12.039 1.168 -6.855
186 HG11 VAL 28 1HG1 VAL 28 10.146 3.372 -7.642
187 HG12 VAL 28 2HG1 VAL 28 11.815 3.658 -7.144
188 HG13 VAL 28 3HG1 VAL 28 11.475 2.696 -8.583
189 HG21 VAL 28 3HG2 VAL 28 10.814 1.121 -4.693
190 HG22 VAL 28 1HG2 VAL 28 11.790 2.573 -4.920
191 HG23 VAL 28 2HG2 VAL 28 10.042 2.642 -5.141
192 H THR 29 H THR 29 8.483 2.190 -8.664
193 HA THR 29 HA THR 29 9.698 1.271 -11.178
194 HB THR 29 HB THR 29 7.259 1.544 -12.110
195 HG1 THR 29 HG1 THR 29 5.674 1.176 -10.632
196 HG21 THR 29 3HG2 THR 29 6.928 -0.955 -11.084
197 HG22 THR 29 1HG2 THR 29 8.664 -0.727 -10.882
198 HG23 THR 29 2HG2 THR 29 7.935 -0.575 -12.481
199 H VAL 30 H VAL 30 10.340 3.642 -9.867
200 HA VAL 30 HA VAL 30 8.929 5.714 -11.405
201 HB VAL 30 HB VAL 30 10.842 6.174 -9.120
202 HG11 VAL 30 1HG1 VAL 30 10.412 8.061 -10.658
203 HG12 VAL 30 2HG1 VAL 30 8.691 7.934 -10.292
204 HG13 VAL 30 3HG1 VAL 30 9.834 8.366 -9.020
205 HG21 VAL 30 3HG2 VAL 30 9.296 5.340 -7.749
206 HG22 VAL 30 1HG2 VAL 30 8.267 6.695 -8.213
207 HG23 VAL 30 2HG2 VAL 30 8.135 5.155 -9.063
208 H GLY 31 H GLY 31 10.000 7.045 -12.806
209 HA2 GLY 31 1HA GLY 31 11.794 7.968 -13.965
210 HA3 GLY 31 2HA GLY 31 12.889 7.026 -12.964
211 H CYS 32 H CYS 32 10.812 4.770 -13.884
212 HA CYS 32 HA CYS 32 12.464 3.995 -16.176
213 HB2 CYS 32 1HB CYS 32 10.871 2.512 -14.139
214 HB3 CYS 32 2HB CYS 32 11.053 1.781 -15.730
215 H SER 33 H SER 33 11.056 2.422 -17.687
216 HA SER 33 HA SER 33 9.029 4.167 -18.826
217 HB2 SER 33 1HB SER 33 10.937 2.862 -20.084
218 HB3 SER 33 2HB SER 33 9.782 1.530 -20.031
219 HG SER 33 HG SER 33 9.834 3.566 -21.713
220 H GLY 34 H GLY 34 6.915 3.474 -19.370
221 HA2 GLY 34 1HA GLY 34 5.545 2.098 -17.372
222 HA3 GLY 34 2HA GLY 34 4.908 2.434 -18.975
223 H GLY 35 H GLY 35 6.207 0.058 -16.864
224 HA2 GLY 35 1HA GLY 35 5.327 -2.223 -17.511
225 HA3 GLY 35 2HA GLY 35 6.135 -1.933 -19.044
226 H PHE 36 H PHE 36 8.129 -0.503 -16.965
227 HA PHE 36 HA PHE 36 9.557 -2.972 -16.246
228 HB2 PHE 36 1HB PHE 36 10.856 -0.493 -17.393
229 HB3 PHE 36 2HB PHE 36 11.670 -1.986 -16.938
230 HD1 PHE 36 HD1 PHE 36 9.234 -0.525 -19.305
231 HD2 PHE 36 HD2 PHE 36 11.832 -3.783 -18.438
232 HE1 PHE 36 HE1 PHE 36 8.903 -1.390 -21.585
233 HE2 PHE 36 HE2 PHE 36 11.506 -4.653 -20.716
234 HZ PHE 36 HZ PHE 36 10.041 -3.456 -22.293
235 H GLY 37 H GLY 37 10.289 -3.032 -14.210
236 HA2 GLY 37 1HA GLY 37 10.331 -0.490 -12.702
237 HA3 GLY 37 2HA GLY 37 9.743 -1.996 -12.013
238 H CYS 38 H CYS 38 11.398 -1.267 -10.364
239 HA CYS 38 HA CYS 38 13.901 -2.663 -10.938
240 HB2 CYS 38 1HB CYS 38 13.940 0.017 -9.557
241 HB3 CYS 38 2HB CYS 38 15.303 -0.908 -10.178
242 H CYS 39 H CYS 39 14.811 -3.675 -9.182
243 HA CYS 39 HA CYS 39 13.270 -3.519 -6.674
244 HB2 CYS 39 1HB CYS 39 14.231 -5.799 -8.267
245 HB3 CYS 39 2HB CYS 39 14.551 -5.933 -6.541
246 H ARG 40 H ARG 40 14.506 -4.066 -4.704
247 HA ARG 40 HA ARG 40 16.747 -2.438 -4.398
248 HB2 ARG 40 1HB ARG 40 15.948 -4.793 -2.679
249 HB3 ARG 40 2HB ARG 40 17.005 -3.472 -2.201
250 HG2 ARG 40 1HG ARG 40 14.179 -2.984 -3.069
251 HG3 ARG 40 2HG ARG 40 14.583 -3.413 -1.405
252 HD2 ARG 40 1HD ARG 40 15.784 -1.089 -2.902
253 HD3 ARG 40 2HD ARG 40 14.400 -0.961 -1.817
254 HE ARG 40 HE ARG 40 15.818 -1.387 0.007
255 HH11 ARG 40 1HH1 ARG 40 17.524 -1.326 -3.027
256 HH12 ARG 40 2HH1 ARG 40 19.085 -1.150 -2.295
257 HH21 ARG 40 1HH2 ARG 40 17.867 -1.155 0.983
258 HH22 ARG 40 2HH2 ARG 40 19.279 -1.054 -0.014
259 H ILE 41 H ILE 41 18.567 -2.740 -5.529
260 HA ILE 41 HA ILE 41 19.592 -5.427 -5.983
261 HB ILE 41 HB ILE 41 20.642 -2.755 -6.923
262 HG12 ILE 41 1HG1 ILE 41 19.060 -4.906 -8.345
263 HG13 ILE 41 2HG1 ILE 41 18.482 -3.301 -7.914
264 HG21 ILE 41 1HG2 ILE 41 22.418 -4.413 -6.745
265 HG22 ILE 41 2HG2 ILE 41 21.465 -5.551 -7.697
266 HG23 ILE 41 3HG2 ILE 41 22.055 -4.062 -8.435
267 HD11 ILE 41 3HD1 ILE 41 18.989 -3.275 -10.222
268 HD12 ILE 41 1HD1 ILE 41 20.263 -2.368 -9.407
269 HD13 ILE 41 2HD1 ILE 41 20.565 -4.018 -9.953
270 H GLY 42 H GLY 42 20.786 -2.362 -4.599
271 HA2 GLY 42 1HA GLY 42 21.839 -3.142 -2.271
272 HA3 GLY 42 2HA GLY 42 23.045 -3.746 -3.398
Start of MODEL 10
1 H1 ASP 1 1H ASP 1 6.551 -2.231 4.412
2 HA ASP 1 HA ASP 1 4.802 -1.248 2.401
3 HB2 ASP 1 1HB ASP 1 4.731 -1.191 5.412
4 HB3 ASP 1 2HB ASP 1 3.476 -0.427 4.440
5 H ASP 2 H ASP 2 6.750 0.215 1.685
6 HA ASP 2 HA ASP 2 5.964 2.906 2.280
7 HB2 ASP 2 1HB ASP 2 8.294 3.619 2.957
8 HB3 ASP 2 2HB ASP 2 7.408 2.693 4.165
9 H THR 3 H THR 3 6.443 4.270 0.627
10 HA THR 3 HA THR 3 8.471 3.543 -1.328
11 HB THR 3 HB THR 3 5.780 4.184 -2.455
12 HG1 THR 3 HG1 THR 3 5.045 2.423 -1.509
13 HG21 THR 3 3HG2 THR 3 6.702 2.557 -4.206
14 HG22 THR 3 1HG2 THR 3 8.236 2.697 -3.348
15 HG23 THR 3 2HG2 THR 3 7.493 4.127 -4.064
16 HA PRO 4 HA PRO 4 8.309 8.067 -0.583
17 HB2 PRO 4 1HB PRO 4 10.993 8.408 -0.811
18 HB3 PRO 4 2HB PRO 4 10.212 7.910 0.695
19 HG2 PRO 4 1HG PRO 4 11.609 6.237 -1.357
20 HG3 PRO 4 2HG PRO 4 11.705 6.150 0.411
21 HD2 PRO 4 1HD PRO 4 10.184 4.453 -1.051
22 HD3 PRO 4 2HD PRO 4 9.732 4.972 0.586
23 H SER 5 H SER 5 9.774 9.765 -1.915
24 HA SER 5 HA SER 5 8.973 9.388 -4.658
25 HB2 SER 5 1HB SER 5 10.450 11.686 -3.350
26 HB3 SER 5 2HB SER 5 9.766 11.698 -4.975
27 HG SER 5 HG SER 5 8.481 11.784 -2.493
28 H SER 6 H SER 6 10.587 7.434 -4.550
29 HA SER 6 HA SER 6 13.293 8.301 -5.274
30 HB2 SER 6 1HB SER 6 12.292 5.489 -4.774
31 HB3 SER 6 2HB SER 6 13.972 6.001 -4.931
32 HG SER 6 HG SER 6 13.592 5.894 -2.774
33 H ARG 7 H ARG 7 14.092 6.185 -6.842
34 HA ARG 7 HA ARG 7 12.357 5.550 -8.966
35 HB2 ARG 7 1HB ARG 7 12.970 7.038 -10.677
36 HB3 ARG 7 2HB ARG 7 12.699 8.068 -9.277
37 HG2 ARG 7 1HG ARG 7 15.199 7.952 -8.883
38 HG3 ARG 7 2HG ARG 7 15.313 7.237 -10.493
39 HD2 ARG 7 1HD ARG 7 13.984 9.271 -11.290
40 HD3 ARG 7 2HD ARG 7 14.366 9.980 -9.722
41 HE ARG 7 HE ARG 7 16.467 10.399 -10.494
42 HH11 ARG 7 1HH1 ARG 7 15.060 7.873 -12.433
43 HH12 ARG 7 2HH1 ARG 7 16.391 7.801 -13.539
44 HH21 ARG 7 1HH2 ARG 7 18.226 10.314 -11.944
45 HH22 ARG 7 2HH2 ARG 7 18.192 9.189 -13.260
46 H CYS 8 H CYS 8 13.650 4.754 -10.930
47 HA CYS 8 HA CYS 8 15.568 2.885 -10.017
48 HB2 CYS 8 1HB CYS 8 14.929 3.724 -12.854
49 HB3 CYS 8 2HB CYS 8 15.805 2.271 -12.382
50 H GLY 9 H GLY 9 17.666 3.147 -9.656
51 HA2 GLY 9 1HA GLY 9 19.852 3.835 -10.014
52 HA3 GLY 9 2HA GLY 9 19.296 4.784 -11.384
53 H SER 10 H SER 10 18.075 4.993 -8.084
54 HA SER 10 HA SER 10 19.205 7.711 -7.924
55 HB2 SER 10 1HB SER 10 16.476 6.867 -7.799
56 HB3 SER 10 2HB SER 10 16.935 7.505 -6.220
57 HG SER 10 HG SER 10 17.570 8.893 -8.591
58 H GLY 11 H GLY 11 18.495 4.716 -6.268
59 HA2 GLY 11 1HA GLY 11 20.450 5.409 -4.224
60 HA3 GLY 11 2HA GLY 11 18.816 5.108 -3.652
61 H GLY 12 H GLY 12 17.922 3.003 -3.871
62 HA2 GLY 12 1HA GLY 12 20.005 0.928 -4.004
63 HA3 GLY 12 2HA GLY 12 18.478 0.785 -3.146
64 H TRP 13 H TRP 13 17.497 2.183 -5.842
65 HA TRP 13 HA TRP 13 16.691 -0.338 -7.029
66 HB2 TRP 13 1HB TRP 13 15.976 2.390 -8.082
67 HB3 TRP 13 2HB TRP 13 15.070 0.885 -8.218
68 HD1 TRP 13 HD1 TRP 13 15.491 3.907 -6.019
69 HE1 TRP 13 HE1 TRP 13 13.861 3.762 -4.032
70 HE3 TRP 13 HE3 TRP 13 13.928 -0.925 -6.604
71 HZ2 TRP 13 HZ2 TRP 13 12.141 1.851 -2.867
72 HZ3 TRP 13 HZ3 TRP 13 12.289 -1.835 -5.011
73 HH2 TRP 13 HH2 TRP 13 11.415 -0.475 -3.181
74 H GLY 14 H GLY 14 17.522 -1.220 -8.821
75 HA2 GLY 14 1HA GLY 14 19.927 -0.320 -9.941
76 HA3 GLY 14 2HA GLY 14 18.871 -1.533 -10.650
77 HA PRO 15 HA PRO 15 19.015 2.184 -13.447
78 HB2 PRO 15 1HB PRO 15 19.564 0.776 -15.702
79 HB3 PRO 15 2HB PRO 15 20.821 1.369 -14.610
80 HG2 PRO 15 1HG PRO 15 19.622 -1.367 -14.811
81 HG3 PRO 15 2HG PRO 15 21.322 -0.902 -14.610
82 HD2 PRO 15 1HD PRO 15 19.786 -1.738 -12.543
83 HD3 PRO 15 2HD PRO 15 21.087 -0.547 -12.345
84 H CYS 16 H CYS 16 17.843 -1.043 -14.441
85 HA CYS 16 HA CYS 16 15.125 -0.361 -14.460
86 HB2 CYS 16 1HB CYS 16 16.622 0.446 -16.827
87 HB3 CYS 16 2HB CYS 16 15.297 -0.646 -17.217
88 H LEU 17 H LEU 17 14.087 -2.231 -14.285
89 HA LEU 17 HA LEU 17 15.208 -4.598 -15.631
90 HB2 LEU 17 1HB LEU 17 15.739 -4.832 -13.325
91 HB3 LEU 17 2HB LEU 17 14.113 -4.356 -12.839
92 HG LEU 17 HG LEU 17 13.615 -6.590 -14.325
93 HD11 LEU 17 1HD1 LEU 17 16.183 -6.846 -14.362
94 HD12 LEU 17 2HD1 LEU 17 15.192 -8.249 -13.963
95 HD13 LEU 17 3HD1 LEU 17 15.998 -7.346 -12.681
96 HD21 LEU 17 3HD2 LEU 17 13.618 -5.797 -11.553
97 HD22 LEU 17 1HD2 LEU 17 13.991 -7.513 -11.721
98 HD23 LEU 17 2HD2 LEU 17 12.507 -6.861 -12.418
99 HA PRO 18 HA PRO 18 11.185 -5.046 -17.375
100 HB2 PRO 18 1HB PRO 18 11.340 -7.661 -18.085
101 HB3 PRO 18 2HB PRO 18 12.189 -6.378 -18.955
102 HG2 PRO 18 1HG PRO 18 13.231 -8.273 -16.885
103 HG3 PRO 18 2HG PRO 18 13.984 -7.749 -18.403
104 HD2 PRO 18 1HD PRO 18 14.671 -6.706 -16.000
105 HD3 PRO 18 2HD PRO 18 14.713 -5.757 -17.500
106 H ILE 19 H ILE 19 9.310 -5.243 -16.339
107 HA ILE 19 HA ILE 19 8.974 -6.463 -13.855
108 HB ILE 19 HB ILE 19 6.790 -5.950 -15.875
109 HG12 ILE 19 1HG1 ILE 19 7.980 -4.095 -13.801
110 HG13 ILE 19 2HG1 ILE 19 8.164 -3.943 -15.545
111 HG21 ILE 19 1HG2 ILE 19 6.785 -7.004 -13.226
112 HG22 ILE 19 2HG2 ILE 19 5.982 -5.435 -13.220
113 HG23 ILE 19 3HG2 ILE 19 5.421 -6.709 -14.303
114 HD11 ILE 19 3HD1 ILE 19 6.518 -2.394 -14.954
115 HD12 ILE 19 1HD1 ILE 19 5.634 -3.759 -15.636
116 HD13 ILE 19 2HD1 ILE 19 5.702 -3.537 -13.887
117 H VAL 20 H VAL 20 9.001 -7.832 -16.996
118 HA VAL 20 HA VAL 20 7.339 -10.053 -16.687
119 HB VAL 20 HB VAL 20 8.450 -9.299 -18.821
120 HG11 VAL 20 1HG1 VAL 20 10.655 -9.520 -19.202
121 HG12 VAL 20 2HG1 VAL 20 10.772 -9.535 -17.441
122 HG13 VAL 20 3HG1 VAL 20 10.755 -11.054 -18.338
123 HG21 VAL 20 3HG2 VAL 20 7.819 -11.264 -19.663
124 HG22 VAL 20 1HG2 VAL 20 9.129 -12.111 -18.840
125 HG23 VAL 20 2HG2 VAL 20 7.605 -11.817 -18.002
126 H ASP 21 H ASP 21 10.435 -9.361 -15.329
127 HA ASP 21 HA ASP 21 10.625 -12.125 -14.324
128 HB2 ASP 21 1HB ASP 21 12.532 -11.349 -15.745
129 HB3 ASP 21 2HB ASP 21 12.861 -10.101 -14.546
130 H LEU 22 H LEU 22 9.687 -9.105 -13.446
131 HA LEU 22 HA LEU 22 10.816 -8.451 -11.052
132 HB2 LEU 22 1HB LEU 22 8.579 -7.680 -12.432
133 HB3 LEU 22 2HB LEU 22 7.894 -8.359 -10.957
134 HG LEU 22 HG LEU 22 9.569 -6.797 -9.746
135 HD11 LEU 22 1HD1 LEU 22 9.310 -4.874 -11.911
136 HD12 LEU 22 2HD1 LEU 22 10.338 -6.244 -12.330
137 HD13 LEU 22 3HD1 LEU 22 10.704 -5.271 -10.906
138 HD21 LEU 22 3HD2 LEU 22 6.981 -6.648 -10.085
139 HD22 LEU 22 1HD2 LEU 22 7.399 -5.307 -11.151
140 HD23 LEU 22 2HD2 LEU 22 7.877 -5.266 -9.454
141 H LEU 23 H LEU 23 10.202 -8.847 -8.833
142 HA LEU 23 HA LEU 23 8.856 -11.406 -8.348
143 HB2 LEU 23 1HB LEU 23 11.056 -12.138 -8.275
144 HB3 LEU 23 2HB LEU 23 11.635 -10.637 -7.556
145 HG LEU 23 HG LEU 23 9.816 -12.349 -5.941
146 HD11 LEU 23 1HD1 LEU 23 11.232 -14.068 -6.649
147 HD12 LEU 23 2HD1 LEU 23 11.928 -13.530 -5.121
148 HD13 LEU 23 3HD1 LEU 23 12.653 -13.023 -6.647
149 HD21 LEU 23 3HD2 LEU 23 10.378 -10.519 -4.714
150 HD22 LEU 23 1HD2 LEU 23 11.929 -10.309 -5.528
151 HD23 LEU 23 2HD2 LEU 23 11.743 -11.555 -4.293
152 H CYS 24 H CYS 24 9.499 -8.184 -7.486
153 HA CYS 24 HA CYS 24 8.278 -8.507 -4.837
154 HB2 CYS 24 1HB CYS 24 9.202 -5.832 -5.683
155 HB3 CYS 24 2HB CYS 24 9.424 -6.670 -4.150
156 H ILE 25 H ILE 25 6.905 -6.445 -4.252
157 HA ILE 25 HA ILE 25 5.051 -5.925 -6.483
158 HB ILE 25 HB ILE 25 4.281 -6.332 -3.591
159 HG12 ILE 25 1HG1 ILE 25 3.725 -8.101 -5.981
160 HG13 ILE 25 2HG1 ILE 25 4.979 -8.413 -4.786
161 HG21 ILE 25 1HG2 ILE 25 2.587 -5.879 -6.044
162 HG22 ILE 25 2HG2 ILE 25 1.980 -6.234 -4.428
163 HG23 ILE 25 3HG2 ILE 25 2.849 -4.730 -4.733
164 HD11 ILE 25 3HD1 ILE 25 3.066 -8.336 -3.075
165 HD12 ILE 25 1HD1 ILE 25 2.010 -8.530 -4.474
166 HD13 ILE 25 2HD1 ILE 25 3.222 -9.758 -4.107
167 H VAL 26 H VAL 26 6.465 -4.756 -3.476
168 HA VAL 26 HA VAL 26 5.320 -2.106 -3.856
169 HB VAL 26 HB VAL 26 5.554 -3.214 -1.581
170 HG11 VAL 26 1HG1 VAL 26 8.086 -3.724 -2.285
171 HG12 VAL 26 2HG1 VAL 26 8.328 -2.206 -1.417
172 HG13 VAL 26 3HG1 VAL 26 7.566 -3.575 -0.606
173 HG21 VAL 26 3HG2 VAL 26 5.617 -0.573 -2.348
174 HG22 VAL 26 1HG2 VAL 26 5.358 -1.166 -0.708
175 HG23 VAL 26 2HG2 VAL 26 6.975 -0.695 -1.229
176 H HIS 27 H HIS 27 7.543 -3.482 -5.526
177 HA HIS 27 HA HIS 27 9.953 -2.123 -5.193
178 HB2 HIS 27 1HB HIS 27 10.527 -2.849 -7.369
179 HB3 HIS 27 2HB HIS 27 9.445 -4.088 -6.740
180 HD1 HIS 27 HD1 HIS 27 10.027 -3.131 -9.823
181 HD2 HIS 27 HD2 HIS 27 6.607 -2.549 -7.536
182 HE1 HIS 27 HE1 HIS 27 8.162 -2.794 -11.476
183 H VAL 28 H VAL 28 10.627 -0.763 -7.418
184 HA VAL 28 HA VAL 28 8.799 1.551 -7.422
185 HB VAL 28 HB VAL 28 11.792 1.450 -7.268
186 HG11 VAL 28 1HG1 VAL 28 10.111 3.683 -8.383
187 HG12 VAL 28 2HG1 VAL 28 11.743 3.924 -7.757
188 HG13 VAL 28 3HG1 VAL 28 11.476 2.866 -9.143
189 HG21 VAL 28 3HG2 VAL 28 11.452 3.090 -5.500
190 HG22 VAL 28 1HG2 VAL 28 9.719 3.104 -5.829
191 HG23 VAL 28 2HG2 VAL 28 10.486 1.645 -5.200
192 H THR 29 H THR 29 8.402 2.573 -9.350
193 HA THR 29 HA THR 29 9.703 1.496 -11.755
194 HB THR 29 HB THR 29 7.315 1.825 -12.818
195 HG1 THR 29 HG1 THR 29 5.664 1.637 -11.420
196 HG21 THR 29 3HG2 THR 29 6.853 -0.634 -11.792
197 HG22 THR 29 1HG2 THR 29 8.572 -0.460 -11.439
198 HG23 THR 29 2HG2 THR 29 7.993 -0.314 -13.099
199 H VAL 30 H VAL 30 10.392 3.887 -10.544
200 HA VAL 30 HA VAL 30 9.147 5.930 -12.259
201 HB VAL 30 HB VAL 30 10.881 6.485 -9.860
202 HG11 VAL 30 1HG1 VAL 30 9.490 8.624 -9.936
203 HG12 VAL 30 2HG1 VAL 30 10.701 8.402 -11.201
204 HG13 VAL 30 3HG1 VAL 30 8.997 8.104 -11.547
205 HG21 VAL 30 3HG2 VAL 30 9.253 5.645 -8.581
206 HG22 VAL 30 1HG2 VAL 30 8.289 7.029 -9.095
207 HG23 VAL 30 2HG2 VAL 30 8.148 5.492 -9.947
208 H GLY 31 H GLY 31 10.371 7.151 -13.630
209 HA2 GLY 31 1HA GLY 31 12.279 7.967 -14.678
210 HA3 GLY 31 2HA GLY 31 13.260 7.078 -13.523
211 H CYS 32 H CYS 32 11.216 4.806 -14.505
212 HA CYS 32 HA CYS 32 13.075 3.842 -16.551
213 HB2 CYS 32 1HB CYS 32 11.220 2.546 -14.616
214 HB3 CYS 32 2HB CYS 32 11.517 1.712 -16.138
215 H SER 33 H SER 33 11.779 2.219 -18.116
216 HA SER 33 HA SER 33 10.022 3.960 -19.624
217 HB2 SER 33 1HB SER 33 11.918 2.112 -20.357
218 HB3 SER 33 2HB SER 33 10.416 1.232 -20.639
219 HG SER 33 HG SER 33 11.494 3.323 -22.017
220 H GLY 34 H GLY 34 7.964 3.227 -20.484
221 HA2 GLY 34 1HA GLY 34 6.245 2.241 -18.483
222 HA3 GLY 34 2HA GLY 34 5.825 2.457 -20.175
223 H GLY 35 H GLY 35 6.885 0.221 -17.738
224 HA2 GLY 35 1HA GLY 35 5.840 -2.052 -18.207
225 HA3 GLY 35 2HA GLY 35 6.750 -1.971 -19.709
226 H PHE 36 H PHE 36 8.641 -0.469 -17.515
227 HA PHE 36 HA PHE 36 9.909 -2.958 -16.593
228 HB2 PHE 36 1HB PHE 36 11.392 -0.562 -17.694
229 HB3 PHE 36 2HB PHE 36 12.110 -2.063 -17.116
230 HD1 PHE 36 HD1 PHE 36 9.953 -0.615 -19.747
231 HD2 PHE 36 HD2 PHE 36 12.347 -3.918 -18.532
232 HE1 PHE 36 HE1 PHE 36 9.804 -1.552 -22.016
233 HE2 PHE 36 HE2 PHE 36 12.203 -4.860 -20.800
234 HZ PHE 36 HZ PHE 36 10.931 -3.677 -22.546
235 H GLY 37 H GLY 37 10.446 -2.974 -14.496
236 HA2 GLY 37 1HA GLY 37 10.440 -0.385 -13.069
237 HA3 GLY 37 2HA GLY 37 9.743 -1.849 -12.391
238 H CYS 38 H CYS 38 11.257 -1.137 -10.616
239 HA CYS 38 HA CYS 38 13.701 -2.692 -10.851
240 HB2 CYS 38 1HB CYS 38 14.924 -0.699 -9.689
241 HB3 CYS 38 2HB CYS 38 14.727 -0.694 -11.439
242 H CYS 39 H CYS 39 14.425 -3.513 -8.912
243 HA CYS 39 HA CYS 39 12.747 -2.910 -6.564
244 HB2 CYS 39 1HB CYS 39 12.825 -5.295 -7.820
245 HB3 CYS 39 2HB CYS 39 14.160 -5.513 -6.693
246 H ARG 40 H ARG 40 13.843 -3.460 -4.457
247 HA ARG 40 HA ARG 40 16.163 -1.935 -4.152
248 HB2 ARG 40 1HB ARG 40 15.136 -4.100 -2.307
249 HB3 ARG 40 2HB ARG 40 16.244 -2.806 -1.873
250 HG2 ARG 40 1HG ARG 40 13.525 -2.185 -2.953
251 HG3 ARG 40 2HG ARG 40 13.757 -2.585 -1.250
252 HD2 ARG 40 1HD ARG 40 15.363 -0.456 -2.633
253 HD3 ARG 40 2HD ARG 40 13.803 -0.118 -1.885
254 HE ARG 40 HE ARG 40 14.992 -1.184 0.172
255 HH11 ARG 40 1HH1 ARG 40 16.401 0.924 -2.214
256 HH12 ARG 40 2HH1 ARG 40 17.568 1.593 -1.123
257 HH21 ARG 40 1HH2 ARG 40 16.525 -0.310 1.618
258 HH22 ARG 40 2HH2 ARG 40 17.639 0.890 1.056
259 H ILE 41 H ILE 41 18.016 -2.431 -5.150
260 HA ILE 41 HA ILE 41 18.885 -5.201 -5.361
261 HB ILE 41 HB ILE 41 20.328 -2.746 -6.354
262 HG12 ILE 41 1HG1 ILE 41 18.101 -2.783 -7.336
263 HG13 ILE 41 2HG1 ILE 41 19.292 -3.238 -8.549
264 HG21 ILE 41 1HG2 ILE 41 21.880 -4.414 -6.504
265 HG22 ILE 41 2HG2 ILE 41 20.665 -5.679 -6.681
266 HG23 ILE 41 3HG2 ILE 41 21.056 -4.636 -8.048
267 HD11 ILE 41 3HD1 ILE 41 17.971 -4.965 -8.983
268 HD12 ILE 41 1HD1 ILE 41 18.538 -5.650 -7.460
269 HD13 ILE 41 2HD1 ILE 41 17.037 -4.724 -7.506
270 H GLY 42 H GLY 42 20.176 -2.130 -4.088
271 HA2 GLY 42 1HA GLY 42 22.050 -3.707 -2.444
272 HA3 GLY 42 2HA GLY 42 22.302 -2.037 -2.929
Start of MODEL 11
1 H1 ASP 1 1H ASP 1 2.098 -0.581 -2.663
2 HA ASP 1 HA ASP 1 3.875 1.252 -4.120
3 HB2 ASP 1 1HB ASP 1 0.868 1.288 -4.018
4 HB3 ASP 1 2HB ASP 1 1.788 2.758 -4.326
5 H ASP 2 H ASP 2 4.770 0.957 -1.809
6 HA ASP 2 HA ASP 2 3.808 3.231 -0.241
7 HB2 ASP 2 1HB ASP 2 4.426 0.555 1.024
8 HB3 ASP 2 2HB ASP 2 3.853 2.007 1.841
9 H THR 3 H THR 3 5.901 3.617 -1.720
10 HA THR 3 HA THR 3 8.230 3.238 0.050
11 HB THR 3 HB THR 3 9.417 3.738 -2.322
12 HG1 THR 3 HG1 THR 3 7.403 1.959 -3.137
13 HG21 THR 3 3HG2 THR 3 10.143 1.548 -2.254
14 HG22 THR 3 1HG2 THR 3 8.559 0.924 -1.796
15 HG23 THR 3 2HG2 THR 3 9.555 1.762 -0.605
16 HA PRO 4 HA PRO 4 8.789 7.588 0.225
17 HB2 PRO 4 1HB PRO 4 11.493 7.823 0.157
18 HB3 PRO 4 2HB PRO 4 10.618 7.199 1.561
19 HG2 PRO 4 1HG PRO 4 12.044 5.700 -0.603
20 HG3 PRO 4 2HG PRO 4 12.048 5.413 1.147
21 HD2 PRO 4 1HD PRO 4 10.531 3.963 -0.564
22 HD3 PRO 4 2HD PRO 4 10.020 4.318 1.098
23 H SER 5 H SER 5 10.464 9.323 -0.840
24 HA SER 5 HA SER 5 9.709 9.383 -3.608
25 HB2 SER 5 1HB SER 5 11.053 11.254 -1.712
26 HB3 SER 5 2HB SER 5 11.287 11.521 -3.440
27 HG SER 5 HG SER 5 8.740 11.206 -2.237
28 H SER 6 H SER 6 10.977 7.282 -3.922
29 HA SER 6 HA SER 6 13.827 7.780 -4.395
30 HB2 SER 6 1HB SER 6 12.343 5.149 -4.557
31 HB3 SER 6 2HB SER 6 14.090 5.385 -4.522
32 HG SER 6 HG SER 6 13.618 6.445 -2.398
33 H ARG 7 H ARG 7 14.333 5.925 -6.368
34 HA ARG 7 HA ARG 7 12.652 6.037 -8.610
35 HB2 ARG 7 1HB ARG 7 13.096 8.416 -8.638
36 HB3 ARG 7 2HB ARG 7 14.829 8.131 -8.539
37 HG2 ARG 7 1HG ARG 7 14.750 7.042 -10.747
38 HG3 ARG 7 2HG ARG 7 13.029 7.423 -10.846
39 HD2 ARG 7 1HD ARG 7 14.202 9.842 -10.205
40 HD3 ARG 7 2HD ARG 7 15.347 9.110 -11.329
41 HE ARG 7 HE ARG 7 13.806 9.349 -13.019
42 HH11 ARG 7 1HH1 ARG 7 12.283 9.948 -9.946
43 HH12 ARG 7 2HH1 ARG 7 10.820 10.562 -10.643
44 HH21 ARG 7 1HH2 ARG 7 11.886 10.156 -13.949
45 HH22 ARG 7 2HH2 ARG 7 10.595 10.679 -12.920
46 H CYS 8 H CYS 8 13.528 4.964 -10.419
47 HA CYS 8 HA CYS 8 15.416 2.979 -9.854
48 HB2 CYS 8 1HB CYS 8 14.263 4.013 -12.438
49 HB3 CYS 8 2HB CYS 8 15.433 2.698 -12.407
50 H GLY 9 H GLY 9 17.555 3.057 -9.721
51 HA2 GLY 9 1HA GLY 9 19.742 3.620 -10.193
52 HA3 GLY 9 2HA GLY 9 19.159 4.515 -11.588
53 H SER 10 H SER 10 17.987 5.136 -8.358
54 HA SER 10 HA SER 10 19.436 7.703 -8.392
55 HB2 SER 10 1HB SER 10 16.814 7.597 -8.624
56 HB3 SER 10 2HB SER 10 16.874 7.362 -6.877
57 HG SER 10 HG SER 10 16.771 9.534 -7.186
58 H GLY 11 H GLY 11 18.884 4.794 -6.728
59 HA2 GLY 11 1HA GLY 11 20.649 5.644 -4.588
60 HA3 GLY 11 2HA GLY 11 19.021 5.218 -4.080
61 H GLY 12 H GLY 12 18.327 3.060 -4.225
62 HA2 GLY 12 1HA GLY 12 20.559 1.144 -4.435
63 HA3 GLY 12 2HA GLY 12 19.125 0.914 -3.446
64 H TRP 13 H TRP 13 17.829 2.169 -6.084
65 HA TRP 13 HA TRP 13 17.100 -0.433 -7.136
66 HB2 TRP 13 1HB TRP 13 16.129 2.216 -8.189
67 HB3 TRP 13 2HB TRP 13 15.318 0.653 -8.233
68 HD1 TRP 13 HD1 TRP 13 15.802 3.705 -6.050
69 HE1 TRP 13 HE1 TRP 13 14.295 3.510 -3.972
70 HE3 TRP 13 HE3 TRP 13 14.277 -1.143 -6.606
71 HZ2 TRP 13 HZ2 TRP 13 12.675 1.559 -2.733
72 HZ3 TRP 13 HZ3 TRP 13 12.749 -2.098 -4.931
73 HH2 TRP 13 HH2 TRP 13 11.967 -0.774 -3.035
74 H GLY 14 H GLY 14 17.710 -1.277 -9.053
75 HA2 GLY 14 1HA GLY 14 20.018 -0.362 -10.348
76 HA3 GLY 14 2HA GLY 14 18.901 -1.556 -10.994
77 HA PRO 15 HA PRO 15 18.839 2.235 -13.701
78 HB2 PRO 15 1HB PRO 15 19.242 0.891 -16.025
79 HB3 PRO 15 2HB PRO 15 20.567 1.469 -15.007
80 HG2 PRO 15 1HG PRO 15 19.380 -1.273 -15.198
81 HG3 PRO 15 2HG PRO 15 21.086 -0.796 -15.102
82 HD2 PRO 15 1HD PRO 15 19.703 -1.701 -12.957
83 HD3 PRO 15 2HD PRO 15 21.005 -0.503 -12.817
84 H CYS 16 H CYS 16 17.638 -0.970 -14.729
85 HA CYS 16 HA CYS 16 14.914 -0.299 -14.542
86 HB2 CYS 16 1HB CYS 16 16.259 0.525 -16.994
87 HB3 CYS 16 2HB CYS 16 14.909 -0.562 -17.305
88 H LEU 17 H LEU 17 13.910 -2.178 -14.292
89 HA LEU 17 HA LEU 17 14.922 -4.526 -15.751
90 HB2 LEU 17 1HB LEU 17 15.659 -4.786 -13.507
91 HB3 LEU 17 2HB LEU 17 14.085 -4.315 -12.869
92 HG LEU 17 HG LEU 17 13.453 -6.535 -14.326
93 HD11 LEU 17 1HD1 LEU 17 15.932 -6.867 -14.683
94 HD12 LEU 17 2HD1 LEU 17 15.058 -8.231 -13.987
95 HD13 LEU 17 3HD1 LEU 17 16.044 -7.197 -12.954
96 HD21 LEU 17 3HD2 LEU 17 13.200 -5.705 -11.774
97 HD22 LEU 17 1HD2 LEU 17 14.323 -7.047 -11.559
98 HD23 LEU 17 2HD2 LEU 17 12.760 -7.320 -12.330
99 HA PRO 18 HA PRO 18 10.761 -4.971 -17.133
100 HB2 PRO 18 1HB PRO 18 10.865 -7.576 -17.894
101 HB3 PRO 18 2HB PRO 18 11.625 -6.274 -18.817
102 HG2 PRO 18 1HG PRO 18 12.860 -8.192 -16.878
103 HG3 PRO 18 2HG PRO 18 13.470 -7.641 -18.450
104 HD2 PRO 18 1HD PRO 18 14.365 -6.628 -16.103
105 HD3 PRO 18 2HD PRO 18 14.267 -5.658 -17.587
106 H ILE 19 H ILE 19 8.991 -5.191 -15.930
107 HA ILE 19 HA ILE 19 8.890 -6.457 -13.447
108 HB ILE 19 HB ILE 19 6.534 -5.895 -15.250
109 HG12 ILE 19 1HG1 ILE 19 7.900 -4.107 -13.227
110 HG13 ILE 19 2HG1 ILE 19 7.933 -3.897 -14.974
111 HG21 ILE 19 1HG2 ILE 19 6.759 -6.215 -12.261
112 HG22 ILE 19 2HG2 ILE 19 5.309 -5.685 -13.113
113 HG23 ILE 19 3HG2 ILE 19 5.948 -7.306 -13.384
114 HD11 ILE 19 3HD1 ILE 19 5.303 -3.888 -14.627
115 HD12 ILE 19 1HD1 ILE 19 5.784 -3.318 -13.030
116 HD13 ILE 19 2HD1 ILE 19 6.286 -2.433 -14.471
117 H VAL 20 H VAL 20 8.622 -7.764 -16.604
118 HA VAL 20 HA VAL 20 6.995 -9.993 -16.183
119 HB VAL 20 HB VAL 20 7.898 -9.196 -18.397
120 HG11 VAL 20 1HG1 VAL 20 10.339 -9.440 -17.256
121 HG12 VAL 20 2HG1 VAL 20 10.242 -10.956 -18.154
122 HG13 VAL 20 3HG1 VAL 20 10.057 -9.417 -18.997
123 HG21 VAL 20 3HG2 VAL 20 6.693 -11.254 -18.313
124 HG22 VAL 20 1HG2 VAL 20 8.115 -11.513 -19.323
125 HG23 VAL 20 2HG2 VAL 20 8.090 -12.113 -17.665
126 H ASP 21 H ASP 21 10.212 -9.327 -15.121
127 HA ASP 21 HA ASP 21 10.505 -12.112 -14.206
128 HB2 ASP 21 1HB ASP 21 12.276 -11.276 -15.757
129 HB3 ASP 21 2HB ASP 21 12.691 -10.052 -14.560
130 H LEU 22 H LEU 22 9.636 -9.116 -13.162
131 HA LEU 22 HA LEU 22 10.959 -8.550 -10.843
132 HB2 LEU 22 1HB LEU 22 8.632 -7.712 -12.023
133 HB3 LEU 22 2HB LEU 22 8.057 -8.425 -10.517
134 HG LEU 22 HG LEU 22 9.793 -6.923 -9.369
135 HD11 LEU 22 1HD1 LEU 22 9.575 -4.915 -11.431
136 HD12 LEU 22 2HD1 LEU 22 10.448 -6.335 -12.005
137 HD13 LEU 22 3HD1 LEU 22 10.998 -5.487 -10.560
138 HD21 LEU 22 3HD2 LEU 22 7.212 -6.662 -9.610
139 HD22 LEU 22 1HD2 LEU 22 7.637 -5.336 -10.693
140 HD23 LEU 22 2HD2 LEU 22 8.181 -5.313 -9.015
141 H LEU 23 H LEU 23 10.523 -9.018 -8.600
142 HA LEU 23 HA LEU 23 9.172 -11.570 -8.094
143 HB2 LEU 23 1HB LEU 23 11.352 -12.346 -8.220
144 HB3 LEU 23 2HB LEU 23 12.021 -10.877 -7.513
145 HG LEU 23 HG LEU 23 10.311 -12.607 -5.799
146 HD11 LEU 23 1HD1 LEU 23 11.802 -14.187 -6.948
147 HD12 LEU 23 2HD1 LEU 23 12.180 -14.038 -5.232
148 HD13 LEU 23 3HD1 LEU 23 13.192 -13.232 -6.431
149 HD21 LEU 23 3HD2 LEU 23 10.999 -10.819 -4.574
150 HD22 LEU 23 1HD2 LEU 23 12.482 -10.608 -5.505
151 HD23 LEU 23 2HD2 LEU 23 12.376 -11.885 -4.292
152 H CYS 24 H CYS 24 9.943 -8.391 -7.180
153 HA CYS 24 HA CYS 24 8.958 -8.784 -4.445
154 HB2 CYS 24 1HB CYS 24 9.814 -6.090 -5.324
155 HB3 CYS 24 2HB CYS 24 10.149 -6.946 -3.822
156 H ILE 25 H ILE 25 7.653 -6.729 -3.684
157 HA ILE 25 HA ILE 25 5.599 -6.154 -5.716
158 HB ILE 25 HB ILE 25 5.068 -6.595 -2.777
159 HG12 ILE 25 1HG1 ILE 25 4.510 -8.411 -5.133
160 HG13 ILE 25 2HG1 ILE 25 5.724 -8.689 -3.889
161 HG21 ILE 25 1HG2 ILE 25 3.082 -5.684 -3.156
162 HG22 ILE 25 2HG2 ILE 25 3.572 -5.323 -4.810
163 HG23 ILE 25 3HG2 ILE 25 2.772 -6.850 -4.441
164 HD11 ILE 25 3HD1 ILE 25 3.886 -8.753 -2.214
165 HD12 ILE 25 1HD1 ILE 25 2.738 -8.674 -3.551
166 HD13 ILE 25 2HD1 ILE 25 3.834 -10.049 -3.409
167 H VAL 26 H VAL 26 7.344 -5.062 -2.870
168 HA VAL 26 HA VAL 26 6.138 -2.417 -3.007
169 HB VAL 26 HB VAL 26 8.402 -3.210 -1.193
170 HG11 VAL 26 1HG1 VAL 26 8.071 -0.932 -0.996
171 HG12 VAL 26 2HG1 VAL 26 6.329 -1.057 -1.253
172 HG13 VAL 26 3HG1 VAL 26 7.033 -1.563 0.283
173 HG21 VAL 26 3HG2 VAL 26 6.770 -4.922 -0.855
174 HG22 VAL 26 1HG2 VAL 26 6.638 -3.784 0.486
175 HG23 VAL 26 2HG2 VAL 26 5.458 -3.743 -0.824
176 H HIS 27 H HIS 27 8.134 -3.716 -5.001
177 HA HIS 27 HA HIS 27 10.551 -2.333 -4.955
178 HB2 HIS 27 1HB HIS 27 10.836 -2.991 -7.206
179 HB3 HIS 27 2HB HIS 27 9.845 -4.256 -6.485
180 HD1 HIS 27 HD1 HIS 27 10.039 -3.097 -9.579
181 HD2 HIS 27 HD2 HIS 27 6.913 -2.799 -6.859
182 HE1 HIS 27 HE1 HIS 27 7.973 -2.736 -10.966
183 H VAL 28 H VAL 28 10.920 -0.887 -7.187
184 HA VAL 28 HA VAL 28 9.031 1.364 -6.951
185 HB VAL 28 HB VAL 28 12.028 1.392 -6.926
186 HG11 VAL 28 1HG1 VAL 28 11.851 3.880 -7.318
187 HG12 VAL 28 2HG1 VAL 28 11.584 2.859 -8.733
188 HG13 VAL 28 3HG1 VAL 28 10.212 3.586 -7.897
189 HG21 VAL 28 3HG2 VAL 28 11.737 2.867 -5.056
190 HG22 VAL 28 1HG2 VAL 28 10.004 2.989 -5.363
191 HG23 VAL 28 2HG2 VAL 28 10.698 1.461 -4.819
192 H THR 29 H THR 29 8.452 2.400 -8.812
193 HA THR 29 HA THR 29 9.692 1.486 -11.319
194 HB THR 29 HB THR 29 7.241 1.791 -12.246
195 HG1 THR 29 HG1 THR 29 5.771 1.899 -10.738
196 HG21 THR 29 3HG2 THR 29 8.601 -0.526 -10.999
197 HG22 THR 29 1HG2 THR 29 8.025 -0.304 -12.651
198 HG23 THR 29 2HG2 THR 29 6.888 -0.719 -11.369
199 H VAL 30 H VAL 30 10.411 3.835 -10.090
200 HA VAL 30 HA VAL 30 9.016 5.909 -11.650
201 HB VAL 30 HB VAL 30 10.838 6.420 -9.306
202 HG11 VAL 30 1HG1 VAL 30 8.602 8.155 -10.295
203 HG12 VAL 30 2HG1 VAL 30 10.013 8.599 -9.331
204 HG13 VAL 30 3HG1 VAL 30 10.199 8.210 -11.042
205 HG21 VAL 30 3HG2 VAL 30 8.271 6.876 -8.413
206 HG22 VAL 30 1HG2 VAL 30 8.123 5.373 -9.324
207 HG23 VAL 30 2HG2 VAL 30 9.281 5.490 -7.999
208 H GLY 31 H GLY 31 10.136 7.185 -13.050
209 HA2 GLY 31 1HA GLY 31 11.977 8.104 -14.140
210 HA3 GLY 31 2HA GLY 31 13.032 7.199 -13.064
211 H CYS 32 H CYS 32 11.008 4.908 -14.036
212 HA CYS 32 HA CYS 32 12.779 4.093 -16.224
213 HB2 CYS 32 1HB CYS 32 11.182 2.661 -14.178
214 HB3 CYS 32 2HB CYS 32 11.295 1.891 -15.757
215 H SER 33 H SER 33 11.431 2.437 -17.732
216 HA SER 33 HA SER 33 9.488 4.143 -19.050
217 HB2 SER 33 1HB SER 33 10.902 1.597 -19.822
218 HB3 SER 33 2HB SER 33 9.561 2.229 -20.777
219 HG SER 33 HG SER 33 12.085 3.393 -20.282
220 H GLY 34 H GLY 34 7.371 3.509 -19.598
221 HA2 GLY 34 1HA GLY 34 5.898 2.261 -17.590
222 HA3 GLY 34 2HA GLY 34 5.321 2.549 -19.225
223 H GLY 35 H GLY 35 6.285 0.215 -16.957
224 HA2 GLY 35 1HA GLY 35 5.426 -2.053 -17.517
225 HA3 GLY 35 2HA GLY 35 6.245 -1.861 -19.060
226 H PHE 36 H PHE 36 8.271 -0.416 -17.003
227 HA PHE 36 HA PHE 36 9.619 -2.904 -16.203
228 HB2 PHE 36 1HB PHE 36 11.018 -0.498 -17.385
229 HB3 PHE 36 2HB PHE 36 11.761 -2.022 -16.913
230 HD1 PHE 36 HD1 PHE 36 9.430 -0.459 -19.316
231 HD2 PHE 36 HD2 PHE 36 11.825 -3.853 -18.386
232 HE1 PHE 36 HE1 PHE 36 9.072 -1.330 -21.589
233 HE2 PHE 36 HE2 PHE 36 11.472 -4.729 -20.658
234 HZ PHE 36 HZ PHE 36 10.093 -3.468 -22.263
235 H GLY 37 H GLY 37 10.290 -2.933 -14.149
236 HA2 GLY 37 1HA GLY 37 10.423 -0.350 -12.718
237 HA3 GLY 37 2HA GLY 37 9.758 -1.807 -11.995
238 H CYS 38 H CYS 38 11.427 -1.072 -10.348
239 HA CYS 38 HA CYS 38 13.856 -2.625 -10.811
240 HB2 CYS 38 1HB CYS 38 14.027 0.135 -9.609
241 HB3 CYS 38 2HB CYS 38 15.348 -0.906 -10.129
242 H CYS 39 H CYS 39 14.705 -3.565 -8.981
243 HA CYS 39 HA CYS 39 13.150 -3.173 -6.508
244 HB2 CYS 39 1HB CYS 39 13.192 -5.456 -7.901
245 HB3 CYS 39 2HB CYS 39 14.651 -5.705 -6.947
246 H ARG 40 H ARG 40 14.383 -3.826 -4.505
247 HA ARG 40 HA ARG 40 16.716 -2.260 -4.288
248 HB2 ARG 40 1HB ARG 40 15.730 -4.401 -2.395
249 HB3 ARG 40 2HB ARG 40 16.866 -3.115 -2.010
250 HG2 ARG 40 1HG ARG 40 14.114 -2.476 -2.992
251 HG3 ARG 40 2HG ARG 40 14.407 -2.866 -1.296
252 HD2 ARG 40 1HD ARG 40 15.944 -0.746 -2.779
253 HD3 ARG 40 2HD ARG 40 14.447 -0.410 -1.909
254 HE ARG 40 HE ARG 40 15.784 -1.479 0.047
255 HH11 ARG 40 1HH1 ARG 40 17.033 0.606 -2.445
256 HH12 ARG 40 2HH1 ARG 40 18.290 1.261 -1.448
257 HH21 ARG 40 1HH2 ARG 40 17.434 -0.625 1.369
258 HH22 ARG 40 2HH2 ARG 40 18.518 0.560 0.720
259 H ILE 41 H ILE 41 18.523 -2.790 -5.351
260 HA ILE 41 HA ILE 41 19.359 -5.588 -5.486
261 HB ILE 41 HB ILE 41 20.508 -3.149 -6.848
262 HG12 ILE 41 1HG1 ILE 41 18.803 -5.409 -7.916
263 HG13 ILE 41 2HG1 ILE 41 18.271 -3.750 -7.661
264 HG21 ILE 41 1HG2 ILE 41 21.170 -6.071 -7.183
265 HG22 ILE 41 2HG2 ILE 41 21.781 -4.764 -8.195
266 HG23 ILE 41 3HG2 ILE 41 22.215 -4.833 -6.487
267 HD11 ILE 41 3HD1 ILE 41 18.685 -3.909 -9.949
268 HD12 ILE 41 1HD1 ILE 41 20.105 -3.092 -9.298
269 HD13 ILE 41 2HD1 ILE 41 20.184 -4.806 -9.707
270 H GLY 42 H GLY 42 20.748 -2.420 -4.609
271 HA2 GLY 42 1HA GLY 42 22.248 -3.701 -2.467
272 HA3 GLY 42 2HA GLY 42 23.207 -2.955 -3.737
Start of MODEL 12
1 H1 ASP 1 1H ASP 1 0.662 3.520 3.521
2 HA ASP 1 HA ASP 1 1.368 1.852 1.721
3 HB2 ASP 1 1HB ASP 1 -1.044 3.611 1.230
4 HB3 ASP 1 2HB ASP 1 -0.759 2.057 0.452
5 H ASP 2 H ASP 2 3.319 3.553 1.191
6 HA ASP 2 HA ASP 2 3.382 3.670 -1.633
7 HB2 ASP 2 1HB ASP 2 3.622 6.158 -1.846
8 HB3 ASP 2 2HB ASP 2 1.995 5.621 -1.439
9 H THR 3 H THR 3 5.450 3.807 -2.371
10 HA THR 3 HA THR 3 7.560 3.490 -0.510
11 HB THR 3 HB THR 3 8.879 4.039 -2.824
12 HG1 THR 3 HG1 THR 3 7.587 3.258 -4.528
13 HG21 THR 3 3HG2 THR 3 7.516 1.390 -2.432
14 HG22 THR 3 1HG2 THR 3 8.791 1.940 -1.346
15 HG23 THR 3 2HG2 THR 3 9.130 1.719 -3.063
16 HA PRO 4 HA PRO 4 9.013 7.569 0.207
17 HB2 PRO 4 1HB PRO 4 11.707 7.231 0.193
18 HB3 PRO 4 2HB PRO 4 10.672 6.644 1.500
19 HG2 PRO 4 1HG PRO 4 11.826 5.145 -0.819
20 HG3 PRO 4 2HG PRO 4 11.709 4.657 0.882
21 HD2 PRO 4 1HD PRO 4 9.982 3.776 -1.009
22 HD3 PRO 4 2HD PRO 4 9.499 4.032 0.680
23 H SER 5 H SER 5 11.069 9.010 -0.622
24 HA SER 5 HA SER 5 10.436 9.561 -3.369
25 HB2 SER 5 1HB SER 5 10.986 11.254 -1.483
26 HB3 SER 5 2HB SER 5 12.671 10.879 -1.845
27 HG SER 5 HG SER 5 10.890 11.582 -3.909
28 H SER 6 H SER 6 11.316 7.176 -3.696
29 HA SER 6 HA SER 6 14.171 7.342 -4.399
30 HB2 SER 6 1HB SER 6 12.408 5.031 -3.626
31 HB3 SER 6 2HB SER 6 13.895 4.763 -4.536
32 HG SER 6 HG SER 6 15.070 5.408 -2.849
33 H ARG 7 H ARG 7 14.854 6.369 -6.401
34 HA ARG 7 HA ARG 7 12.825 5.793 -8.393
35 HB2 ARG 7 1HB ARG 7 12.872 8.127 -8.726
36 HB3 ARG 7 2HB ARG 7 14.616 8.207 -8.515
37 HG2 ARG 7 1HG ARG 7 15.048 7.561 -10.652
38 HG3 ARG 7 2HG ARG 7 13.573 6.599 -10.777
39 HD2 ARG 7 1HD ARG 7 12.340 8.346 -11.494
40 HD3 ARG 7 2HD ARG 7 13.168 9.494 -10.444
41 HE ARG 7 HE ARG 7 13.780 8.907 -13.178
42 HH11 ARG 7 1HH1 ARG 7 15.109 9.982 -10.145
43 HH12 ARG 7 2HH1 ARG 7 16.418 10.849 -10.877
44 HH21 ARG 7 1HH2 ARG 7 15.499 10.045 -14.153
45 HH22 ARG 7 2HH2 ARG 7 16.638 10.886 -13.157
46 H CYS 8 H CYS 8 13.609 4.657 -10.178
47 HA CYS 8 HA CYS 8 15.698 2.909 -9.787
48 HB2 CYS 8 1HB CYS 8 14.615 3.908 -12.430
49 HB3 CYS 8 2HB CYS 8 15.588 2.457 -12.215
50 H GLY 9 H GLY 9 17.831 3.136 -9.726
51 HA2 GLY 9 1HA GLY 9 19.953 3.838 -10.319
52 HA3 GLY 9 2HA GLY 9 19.235 4.794 -11.607
53 H SER 10 H SER 10 18.045 5.208 -8.392
54 HA SER 10 HA SER 10 19.498 7.767 -8.214
55 HB2 SER 10 1HB SER 10 16.988 7.885 -8.639
56 HB3 SER 10 2HB SER 10 16.779 7.232 -7.014
57 HG SER 10 HG SER 10 16.720 9.458 -6.887
58 H GLY 11 H GLY 11 18.535 4.850 -6.611
59 HA2 GLY 11 1HA GLY 11 20.239 5.597 -4.338
60 HA3 GLY 11 2HA GLY 11 18.608 5.025 -4.018
61 H GLY 12 H GLY 12 18.200 2.871 -3.998
62 HA2 GLY 12 1HA GLY 12 20.535 1.125 -4.377
63 HA3 GLY 12 2HA GLY 12 19.128 0.751 -3.393
64 H TRP 13 H TRP 13 17.736 2.020 -5.978
65 HA TRP 13 HA TRP 13 17.180 -0.581 -7.131
66 HB2 TRP 13 1HB TRP 13 16.032 2.036 -8.079
67 HB3 TRP 13 2HB TRP 13 15.327 0.426 -8.186
68 HD1 TRP 13 HD1 TRP 13 15.684 3.387 -5.835
69 HE1 TRP 13 HE1 TRP 13 14.169 3.019 -3.786
70 HE3 TRP 13 HE3 TRP 13 14.311 -1.461 -6.700
71 HZ2 TRP 13 HZ2 TRP 13 12.601 0.947 -2.683
72 HZ3 TRP 13 HZ3 TRP 13 12.802 -2.563 -5.100
73 HH2 TRP 13 HH2 TRP 13 11.966 -1.383 -3.133
74 H GLY 14 H GLY 14 17.826 -1.305 -9.088
75 HA2 GLY 14 1HA GLY 14 20.071 -0.202 -10.344
76 HA3 GLY 14 2HA GLY 14 19.022 -1.427 -11.042
77 HA PRO 15 HA PRO 15 18.735 2.464 -13.584
78 HB2 PRO 15 1HB PRO 15 19.182 1.239 -15.965
79 HB3 PRO 15 2HB PRO 15 20.486 1.839 -14.934
80 HG2 PRO 15 1HG PRO 15 19.435 -0.948 -15.230
81 HG3 PRO 15 2HG PRO 15 21.116 -0.391 -15.127
82 HD2 PRO 15 1HD PRO 15 19.801 -1.452 -13.011
83 HD3 PRO 15 2HD PRO 15 21.044 -0.196 -12.832
84 H CYS 16 H CYS 16 17.701 -0.737 -14.792
85 HA CYS 16 HA CYS 16 14.941 -0.211 -14.540
86 HB2 CYS 16 1HB CYS 16 16.238 0.733 -16.987
87 HB3 CYS 16 2HB CYS 16 14.896 -0.363 -17.297
88 H LEU 17 H LEU 17 13.999 -2.135 -14.395
89 HA LEU 17 HA LEU 17 15.137 -4.382 -15.919
90 HB2 LEU 17 1HB LEU 17 15.853 -4.690 -13.674
91 HB3 LEU 17 2HB LEU 17 14.250 -4.316 -13.046
92 HG LEU 17 HG LEU 17 13.742 -6.506 -14.593
93 HD11 LEU 17 1HD1 LEU 17 15.432 -8.160 -14.161
94 HD12 LEU 17 2HD1 LEU 17 16.401 -6.993 -13.261
95 HD13 LEU 17 3HD1 LEU 17 16.168 -6.793 -14.998
96 HD21 LEU 17 3HD2 LEU 17 12.794 -6.906 -12.623
97 HD22 LEU 17 1HD2 LEU 17 13.923 -5.834 -11.794
98 HD23 LEU 17 2HD2 LEU 17 14.352 -7.522 -12.070
99 HA PRO 18 HA PRO 18 11.020 -4.965 -17.381
100 HB2 PRO 18 1HB PRO 18 11.247 -7.538 -18.218
101 HB3 PRO 18 2HB PRO 18 11.965 -6.177 -19.089
102 HG2 PRO 18 1HG PRO 18 13.250 -8.100 -17.189
103 HG3 PRO 18 2HG PRO 18 13.860 -7.476 -18.732
104 HD2 PRO 18 1HD PRO 18 14.676 -6.500 -16.342
105 HD3 PRO 18 2HD PRO 18 14.559 -5.489 -17.796
106 H ILE 19 H ILE 19 9.237 -5.306 -16.227
107 HA ILE 19 HA ILE 19 9.149 -6.640 -13.779
108 HB ILE 19 HB ILE 19 6.795 -6.167 -15.608
109 HG12 ILE 19 1HG1 ILE 19 8.056 -4.324 -13.565
110 HG13 ILE 19 2HG1 ILE 19 8.084 -4.102 -15.311
111 HG21 ILE 19 1HG2 ILE 19 7.044 -7.320 -13.017
112 HG22 ILE 19 2HG2 ILE 19 6.185 -5.787 -12.873
113 HG23 ILE 19 3HG2 ILE 19 5.584 -7.035 -13.964
114 HD11 ILE 19 3HD1 ILE 19 5.539 -4.069 -15.168
115 HD12 ILE 19 1HD1 ILE 19 5.767 -3.865 -13.431
116 HD13 ILE 19 2HD1 ILE 19 6.415 -2.667 -14.553
117 H VAL 20 H VAL 20 9.013 -7.878 -16.971
118 HA VAL 20 HA VAL 20 7.489 -10.194 -16.637
119 HB VAL 20 HB VAL 20 8.387 -9.295 -18.814
120 HG11 VAL 20 1HG1 VAL 20 10.564 -9.375 -19.370
121 HG12 VAL 20 2HG1 VAL 20 10.822 -9.468 -17.627
122 HG13 VAL 20 3HG1 VAL 20 10.808 -10.941 -18.597
123 HG21 VAL 20 3HG2 VAL 20 9.111 -12.182 -18.627
124 HG22 VAL 20 1HG2 VAL 20 7.456 -11.685 -18.276
125 HG23 VAL 20 2HG2 VAL 20 8.166 -11.335 -19.851
126 H ASP 21 H ASP 21 10.637 -9.391 -15.481
127 HA ASP 21 HA ASP 21 11.050 -12.181 -14.627
128 HB2 ASP 21 1HB ASP 21 12.778 -10.540 -16.049
129 HB3 ASP 21 2HB ASP 21 13.381 -10.444 -14.396
130 H LEU 22 H LEU 22 10.025 -9.259 -13.540
131 HA LEU 22 HA LEU 22 11.297 -8.646 -11.209
132 HB2 LEU 22 1HB LEU 22 8.923 -7.946 -12.379
133 HB3 LEU 22 2HB LEU 22 8.391 -8.726 -10.891
134 HG LEU 22 HG LEU 22 10.090 -7.119 -9.751
135 HD11 LEU 22 1HD1 LEU 22 9.481 -5.145 -11.812
136 HD12 LEU 22 2HD1 LEU 22 10.596 -6.403 -12.343
137 HD13 LEU 22 3HD1 LEU 22 10.974 -5.433 -10.919
138 HD21 LEU 22 3HD2 LEU 22 7.500 -7.136 -9.773
139 HD22 LEU 22 1HD2 LEU 22 7.667 -5.773 -10.880
140 HD23 LEU 22 2HD2 LEU 22 8.346 -5.677 -9.254
141 H LEU 23 H LEU 23 10.831 -9.156 -8.963
142 HA LEU 23 HA LEU 23 9.704 -11.825 -8.514
143 HB2 LEU 23 1HB LEU 23 11.954 -12.390 -8.594
144 HB3 LEU 23 2HB LEU 23 12.460 -10.879 -7.839
145 HG LEU 23 HG LEU 23 10.866 -12.793 -6.211
146 HD11 LEU 23 1HD1 LEU 23 13.781 -13.162 -6.880
147 HD12 LEU 23 2HD1 LEU 23 12.463 -14.269 -7.260
148 HD13 LEU 23 3HD1 LEU 23 12.924 -13.991 -5.581
149 HD21 LEU 23 3HD2 LEU 23 11.356 -10.982 -4.928
150 HD22 LEU 23 1HD2 LEU 23 12.834 -10.611 -5.816
151 HD23 LEU 23 2HD2 LEU 23 12.821 -11.920 -4.633
152 H CYS 24 H CYS 24 10.136 -8.598 -7.563
153 HA CYS 24 HA CYS 24 9.082 -9.119 -4.871
154 HB2 CYS 24 1HB CYS 24 9.786 -6.350 -5.572
155 HB3 CYS 24 2HB CYS 24 10.197 -7.290 -4.142
156 H ILE 25 H ILE 25 7.629 -7.159 -4.129
157 HA ILE 25 HA ILE 25 5.645 -6.654 -6.249
158 HB ILE 25 HB ILE 25 4.933 -7.072 -3.352
159 HG12 ILE 25 1HG1 ILE 25 5.958 -9.128 -4.304
160 HG13 ILE 25 2HG1 ILE 25 4.255 -9.333 -3.907
161 HG21 ILE 25 1HG2 ILE 25 2.715 -7.663 -4.674
162 HG22 ILE 25 2HG2 ILE 25 3.131 -6.004 -4.248
163 HG23 ILE 25 3HG2 ILE 25 3.446 -6.601 -5.877
164 HD11 ILE 25 3HD1 ILE 25 4.614 -8.462 -6.636
165 HD12 ILE 25 1HD1 ILE 25 5.490 -9.954 -6.299
166 HD13 ILE 25 2HD1 ILE 25 3.754 -9.863 -5.998
167 H VAL 26 H VAL 26 7.105 -5.535 -3.239
168 HA VAL 26 HA VAL 26 5.819 -2.934 -3.476
169 HB VAL 26 HB VAL 26 6.176 -4.120 -1.257
170 HG11 VAL 26 1HG1 VAL 26 8.328 -3.954 -0.201
171 HG12 VAL 26 2HG1 VAL 26 8.516 -4.800 -1.738
172 HG13 VAL 26 3HG1 VAL 26 8.995 -3.108 -1.596
173 HG21 VAL 26 3HG2 VAL 26 7.377 -1.695 -0.520
174 HG22 VAL 26 1HG2 VAL 26 6.433 -1.350 -1.969
175 HG23 VAL 26 2HG2 VAL 26 5.655 -2.073 -0.561
176 H HIS 27 H HIS 27 8.061 -4.129 -5.260
177 HA HIS 27 HA HIS 27 10.406 -2.660 -4.938
178 HB2 HIS 27 1HB HIS 27 10.956 -3.275 -7.153
179 HB3 HIS 27 2HB HIS 27 9.949 -4.588 -6.550
180 HD1 HIS 27 HD1 HIS 27 10.406 -3.493 -9.604
181 HD2 HIS 27 HD2 HIS 27 7.026 -3.141 -7.215
182 HE1 HIS 27 HE1 HIS 27 8.487 -3.174 -11.197
183 H VAL 28 H VAL 28 10.943 -1.184 -7.129
184 HA VAL 28 HA VAL 28 9.016 1.042 -6.964
185 HB VAL 28 HB VAL 28 12.021 1.080 -7.033
186 HG11 VAL 28 1HG1 VAL 28 10.131 3.294 -7.802
187 HG12 VAL 28 2HG1 VAL 28 11.809 3.568 -7.329
188 HG13 VAL 28 3HG1 VAL 28 11.441 2.606 -8.761
189 HG21 VAL 28 3HG2 VAL 28 11.789 2.501 -5.100
190 HG22 VAL 28 1HG2 VAL 28 10.037 2.552 -5.304
191 HG23 VAL 28 2HG2 VAL 28 10.829 1.041 -4.858
192 H THR 29 H THR 29 8.496 2.139 -8.829
193 HA THR 29 HA THR 29 9.691 1.193 -11.340
194 HB THR 29 HB THR 29 7.238 1.462 -12.259
195 HG1 THR 29 HG1 THR 29 5.819 0.534 -10.533
196 HG21 THR 29 3HG2 THR 29 6.940 -1.050 -11.269
197 HG22 THR 29 1HG2 THR 29 8.674 -0.809 -11.062
198 HG23 THR 29 2HG2 THR 29 7.945 -0.642 -12.659
199 H VAL 30 H VAL 30 10.293 3.583 -10.009
200 HA VAL 30 HA VAL 30 8.890 5.631 -11.585
201 HB VAL 30 HB VAL 30 10.731 6.088 -9.238
202 HG11 VAL 30 1HG1 VAL 30 10.644 8.149 -10.159
203 HG12 VAL 30 2HG1 VAL 30 9.151 7.812 -11.037
204 HG13 VAL 30 3HG1 VAL 30 9.094 8.217 -9.322
205 HG21 VAL 30 3HG2 VAL 30 8.038 5.088 -9.281
206 HG22 VAL 30 1HG2 VAL 30 9.105 5.367 -7.905
207 HG23 VAL 30 2HG2 VAL 30 8.087 6.674 -8.509
208 H GLY 31 H GLY 31 9.983 6.994 -12.948
209 HA2 GLY 31 1HA GLY 31 11.791 7.927 -14.074
210 HA3 GLY 31 2HA GLY 31 12.873 6.992 -13.053
211 H CYS 32 H CYS 32 10.841 4.716 -14.012
212 HA CYS 32 HA CYS 32 12.542 3.961 -16.274
213 HB2 CYS 32 1HB CYS 32 10.916 2.459 -14.276
214 HB3 CYS 32 2HB CYS 32 11.152 1.732 -15.862
215 H SER 33 H SER 33 11.182 2.380 -17.818
216 HA SER 33 HA SER 33 9.210 4.114 -19.040
217 HB2 SER 33 1HB SER 33 10.779 3.127 -20.550
218 HB3 SER 33 2HB SER 33 10.484 1.513 -19.904
219 HG SER 33 HG SER 33 9.392 2.269 -21.974
220 H GLY 34 H GLY 34 7.119 3.316 -19.764
221 HA2 GLY 34 1HA GLY 34 5.639 2.138 -17.676
222 HA3 GLY 34 2HA GLY 34 5.055 2.422 -19.309
223 H GLY 35 H GLY 35 6.451 0.117 -17.115
224 HA2 GLY 35 1HA GLY 35 5.464 -2.178 -17.629
225 HA3 GLY 35 2HA GLY 35 6.245 -1.969 -19.189
226 H PHE 36 H PHE 36 8.247 -0.492 -17.092
227 HA PHE 36 HA PHE 36 9.691 -2.958 -16.396
228 HB2 PHE 36 1HB PHE 36 10.967 -0.452 -17.512
229 HB3 PHE 36 2HB PHE 36 11.802 -1.933 -17.052
230 HD1 PHE 36 HD1 PHE 36 9.350 -0.519 -19.435
231 HD2 PHE 36 HD2 PHE 36 12.026 -3.712 -18.560
232 HE1 PHE 36 HE1 PHE 36 9.059 -1.385 -21.720
233 HE2 PHE 36 HE2 PHE 36 11.739 -4.582 -20.843
234 HZ PHE 36 HZ PHE 36 10.255 -3.419 -22.427
235 H GLY 37 H GLY 37 10.392 -3.042 -14.352
236 HA2 GLY 37 1HA GLY 37 10.419 -0.518 -12.813
237 HA3 GLY 37 2HA GLY 37 9.822 -2.031 -12.149
238 H CYS 38 H CYS 38 11.451 -1.348 -10.468
239 HA CYS 38 HA CYS 38 13.949 -2.751 -11.016
240 HB2 CYS 38 1HB CYS 38 15.115 -0.821 -9.699
241 HB3 CYS 38 2HB CYS 38 14.803 -0.631 -11.422
242 H CYS 39 H CYS 39 14.846 -3.743 -9.237
243 HA CYS 39 HA CYS 39 13.279 -3.551 -6.748
244 HB2 CYS 39 1HB CYS 39 14.305 -5.858 -8.281
245 HB3 CYS 39 2HB CYS 39 14.518 -5.959 -6.536
246 H ARG 40 H ARG 40 14.497 -4.088 -4.758
247 HA ARG 40 HA ARG 40 16.726 -2.448 -4.437
248 HB2 ARG 40 1HB ARG 40 15.921 -4.803 -2.720
249 HB3 ARG 40 2HB ARG 40 16.974 -3.481 -2.235
250 HG2 ARG 40 1HG ARG 40 14.152 -2.998 -3.123
251 HG3 ARG 40 2HG ARG 40 14.548 -3.420 -1.456
252 HD2 ARG 40 1HD ARG 40 15.758 -1.101 -2.954
253 HD3 ARG 40 2HD ARG 40 14.363 -0.969 -1.883
254 HE ARG 40 HE ARG 40 15.763 -1.383 -0.043
255 HH11 ARG 40 1HH1 ARG 40 17.500 -1.343 -3.060
256 HH12 ARG 40 2HH1 ARG 40 19.053 -1.163 -2.313
257 HH21 ARG 40 1HH2 ARG 40 17.803 -1.146 0.952
258 HH22 ARG 40 2HH2 ARG 40 19.224 -1.053 -0.032
259 H ILE 41 H ILE 41 18.591 -2.725 -5.482
260 HA ILE 41 HA ILE 41 19.627 -5.410 -5.949
261 HB ILE 41 HB ILE 41 20.670 -2.730 -6.871
262 HG12 ILE 41 1HG1 ILE 41 19.136 -4.898 -8.321
263 HG13 ILE 41 2HG1 ILE 41 18.531 -3.300 -7.897
264 HG21 ILE 41 1HG2 ILE 41 22.461 -4.364 -6.665
265 HG22 ILE 41 2HG2 ILE 41 21.536 -5.518 -7.625
266 HG23 ILE 41 3HG2 ILE 41 22.120 -4.025 -8.361
267 HD11 ILE 41 3HD1 ILE 41 20.341 -2.350 -9.355
268 HD12 ILE 41 1HD1 ILE 41 20.648 -3.996 -9.908
269 HD13 ILE 41 2HD1 ILE 41 19.076 -3.249 -10.192
270 H GLY 42 H GLY 42 20.778 -2.342 -4.540
271 HA2 GLY 42 1HA GLY 42 22.037 -3.637 -2.348
272 HA3 GLY 42 2HA GLY 42 23.225 -3.228 -3.577
Start of MODEL 13
1 H1 ASP 1 1H ASP 1 2.658 -1.474 0.523
2 HA ASP 1 HA ASP 1 2.306 1.110 0.575
3 HB2 ASP 1 1HB ASP 1 1.486 1.041 2.870
4 HB3 ASP 1 2HB ASP 1 1.043 -0.439 2.024
5 H ASP 2 H ASP 2 5.103 0.814 0.229
6 HA ASP 2 HA ASP 2 6.007 2.881 2.047
7 HB2 ASP 2 1HB ASP 2 6.540 0.713 3.194
8 HB3 ASP 2 2HB ASP 2 7.578 0.307 1.830
9 H THR 3 H THR 3 5.614 3.575 -0.359
10 HA THR 3 HA THR 3 8.143 3.256 -1.839
11 HB THR 3 HB THR 3 5.687 4.303 -3.179
12 HG1 THR 3 HG1 THR 3 4.689 2.446 -3.043
13 HG21 THR 3 3HG2 THR 3 7.403 2.302 -4.469
14 HG22 THR 3 1HG2 THR 3 8.230 3.794 -4.022
15 HG23 THR 3 2HG2 THR 3 6.815 3.850 -5.075
16 HA PRO 4 HA PRO 4 8.209 7.618 -0.415
17 HB2 PRO 4 1HB PRO 4 10.917 7.737 -0.248
18 HB3 PRO 4 2HB PRO 4 9.901 7.098 1.050
19 HG2 PRO 4 1HG PRO 4 11.443 5.622 -1.049
20 HG3 PRO 4 2HG PRO 4 11.287 5.268 0.681
21 HD2 PRO 4 1HD PRO 4 9.863 3.953 -1.209
22 HD3 PRO 4 2HD PRO 4 9.228 4.266 0.419
23 H SER 5 H SER 5 10.032 9.320 -1.264
24 HA SER 5 HA SER 5 9.523 9.514 -4.082
25 HB2 SER 5 1HB SER 5 11.267 11.289 -2.360
26 HB3 SER 5 2HB SER 5 10.594 11.685 -3.941
27 HG SER 5 HG SER 5 9.420 12.524 -2.075
28 H SER 6 H SER 6 10.728 7.394 -4.408
29 HA SER 6 HA SER 6 13.621 7.844 -4.671
30 HB2 SER 6 1HB SER 6 12.144 5.210 -4.843
31 HB3 SER 6 2HB SER 6 13.886 5.448 -4.714
32 HG SER 6 HG SER 6 13.632 6.144 -2.630
33 H ARG 7 H ARG 7 14.218 5.935 -6.566
34 HA ARG 7 HA ARG 7 12.660 5.967 -8.890
35 HB2 ARG 7 1HB ARG 7 13.033 8.336 -9.007
36 HB3 ARG 7 2HB ARG 7 14.757 8.133 -8.732
37 HG2 ARG 7 1HG ARG 7 14.909 6.935 -10.898
38 HG3 ARG 7 2HG ARG 7 13.207 7.308 -11.176
39 HD2 ARG 7 1HD ARG 7 14.372 9.740 -10.480
40 HD3 ARG 7 2HD ARG 7 15.545 8.966 -11.544
41 HE ARG 7 HE ARG 7 14.078 9.205 -13.299
42 HH11 ARG 7 1HH1 ARG 7 12.452 9.903 -10.301
43 HH12 ARG 7 2HH1 ARG 7 11.035 10.540 -11.067
44 HH21 ARG 7 1HH2 ARG 7 12.218 10.041 -14.320
45 HH22 ARG 7 2HH2 ARG 7 10.902 10.617 -13.353
46 H CYS 8 H CYS 8 13.624 4.833 -10.601
47 HA CYS 8 HA CYS 8 15.528 2.917 -9.899
48 HB2 CYS 8 1HB CYS 8 14.668 3.858 -12.642
49 HB3 CYS 8 2HB CYS 8 15.614 2.405 -12.336
50 H GLY 9 H GLY 9 17.647 3.077 -9.622
51 HA2 GLY 9 1HA GLY 9 19.847 3.654 -10.026
52 HA3 GLY 9 2HA GLY 9 19.314 4.511 -11.464
53 H SER 10 H SER 10 17.964 5.178 -8.317
54 HA SER 10 HA SER 10 19.375 7.766 -8.325
55 HB2 SER 10 1HB SER 10 16.715 7.494 -8.627
56 HB3 SER 10 2HB SER 10 16.800 7.529 -6.866
57 HG SER 10 HG SER 10 16.705 9.623 -7.362
58 H GLY 11 H GLY 11 18.764 4.884 -6.629
59 HA2 GLY 11 1HA GLY 11 20.400 5.803 -4.415
60 HA3 GLY 11 2HA GLY 11 18.753 5.366 -3.988
61 H GLY 12 H GLY 12 18.092 3.195 -4.130
62 HA2 GLY 12 1HA GLY 12 20.356 1.304 -4.197
63 HA3 GLY 12 2HA GLY 12 18.893 1.082 -3.249
64 H TRP 13 H TRP 13 17.680 2.257 -5.967
65 HA TRP 13 HA TRP 13 17.000 -0.377 -6.968
66 HB2 TRP 13 1HB TRP 13 16.067 2.238 -8.135
67 HB3 TRP 13 2HB TRP 13 15.262 0.672 -8.170
68 HD1 TRP 13 HD1 TRP 13 15.678 3.773 -6.032
69 HE1 TRP 13 HE1 TRP 13 14.078 3.633 -4.021
70 HE3 TRP 13 HE3 TRP 13 14.122 -1.068 -6.568
71 HZ2 TRP 13 HZ2 TRP 13 12.381 1.723 -2.820
72 HZ3 TRP 13 HZ3 TRP 13 12.509 -1.975 -4.945
73 HH2 TRP 13 HH2 TRP 13 11.658 -0.607 -3.111
74 H GLY 14 H GLY 14 17.662 -1.271 -8.849
75 HA2 GLY 14 1HA GLY 14 20.028 -0.414 -10.074
76 HA3 GLY 14 2HA GLY 14 18.918 -1.602 -10.741
77 HA PRO 15 HA PRO 15 19.022 2.131 -13.522
78 HB2 PRO 15 1HB PRO 15 19.476 0.732 -15.803
79 HB3 PRO 15 2HB PRO 15 20.777 1.303 -14.752
80 HG2 PRO 15 1HG PRO 15 19.540 -1.418 -14.928
81 HG3 PRO 15 2HG PRO 15 21.250 -0.974 -14.783
82 HD2 PRO 15 1HD PRO 15 19.777 -1.805 -12.669
83 HD3 PRO 15 2HD PRO 15 21.099 -0.631 -12.509
84 H CYS 16 H CYS 16 17.788 -1.070 -14.523
85 HA CYS 16 HA CYS 16 15.076 -0.368 -14.431
86 HB2 CYS 16 1HB CYS 16 16.495 0.464 -16.837
87 HB3 CYS 16 2HB CYS 16 15.148 -0.611 -17.196
88 H LEU 17 H LEU 17 14.023 -2.230 -14.256
89 HA LEU 17 HA LEU 17 15.076 -4.585 -15.675
90 HB2 LEU 17 1HB LEU 17 15.689 -4.852 -13.390
91 HB3 LEU 17 2HB LEU 17 14.081 -4.383 -12.843
92 HG LEU 17 HG LEU 17 13.523 -6.589 -14.344
93 HD11 LEU 17 1HD1 LEU 17 16.029 -7.295 -12.846
94 HD12 LEU 17 2HD1 LEU 17 16.032 -6.905 -14.566
95 HD13 LEU 17 3HD1 LEU 17 15.106 -8.285 -13.977
96 HD21 LEU 17 3HD2 LEU 17 13.644 -5.851 -11.559
97 HD22 LEU 17 1HD2 LEU 17 14.003 -7.564 -11.777
98 HD23 LEU 17 2HD2 LEU 17 12.494 -6.894 -12.398
99 HA PRO 18 HA PRO 18 10.987 -4.967 -17.276
100 HB2 PRO 18 1HB PRO 18 11.096 -7.569 -18.043
101 HB3 PRO 18 2HB PRO 18 11.921 -6.274 -18.919
102 HG2 PRO 18 1HG PRO 18 13.026 -8.217 -16.928
103 HG3 PRO 18 2HG PRO 18 13.725 -7.667 -18.462
104 HD2 PRO 18 1HD PRO 18 14.510 -6.678 -16.067
105 HD3 PRO 18 2HD PRO 18 14.503 -5.699 -17.548
106 H ILE 19 H ILE 19 9.152 -5.170 -16.172
107 HA ILE 19 HA ILE 19 8.897 -6.428 -13.701
108 HB ILE 19 HB ILE 19 6.648 -5.884 -15.641
109 HG12 ILE 19 1HG1 ILE 19 7.927 -4.069 -13.584
110 HG13 ILE 19 2HG1 ILE 19 8.010 -3.877 -15.332
111 HG21 ILE 19 1HG2 ILE 19 5.980 -7.275 -13.776
112 HG22 ILE 19 2HG2 ILE 19 6.699 -6.138 -12.638
113 HG23 ILE 19 3HG2 ILE 19 5.297 -5.660 -13.594
114 HD11 ILE 19 3HD1 ILE 19 5.923 -3.107 -13.458
115 HD12 ILE 19 1HD1 ILE 19 6.285 -2.498 -15.073
116 HD13 ILE 19 2HD1 ILE 19 5.316 -3.959 -14.877
117 H VAL 20 H VAL 20 8.791 -7.750 -16.866
118 HA VAL 20 HA VAL 20 7.149 -9.979 -16.516
119 HB VAL 20 HB VAL 20 8.163 -9.190 -18.685
120 HG11 VAL 20 1HG1 VAL 20 10.348 -9.433 -19.185
121 HG12 VAL 20 2HG1 VAL 20 10.542 -9.420 -17.431
122 HG13 VAL 20 3HG1 VAL 20 10.489 -10.953 -18.301
123 HG21 VAL 20 3HG2 VAL 20 8.422 -12.120 -18.013
124 HG22 VAL 20 1HG2 VAL 20 6.951 -11.293 -18.526
125 HG23 VAL 20 2HG2 VAL 20 8.311 -11.447 -19.639
126 H ASP 21 H ASP 21 10.284 -9.294 -15.263
127 HA ASP 21 HA ASP 21 10.537 -12.077 -14.329
128 HB2 ASP 21 1HB ASP 21 12.384 -11.264 -15.797
129 HB3 ASP 21 2HB ASP 21 12.741 -10.024 -14.598
130 H LEU 22 H LEU 22 9.621 -9.073 -13.353
131 HA LEU 22 HA LEU 22 10.831 -8.483 -10.980
132 HB2 LEU 22 1HB LEU 22 8.552 -7.671 -12.275
133 HB3 LEU 22 2HB LEU 22 7.920 -8.361 -10.782
134 HG LEU 22 HG LEU 22 9.645 -6.831 -9.614
135 HD11 LEU 22 1HD1 LEU 22 9.358 -4.885 -11.756
136 HD12 LEU 22 2HD1 LEU 22 10.352 -6.267 -12.213
137 HD13 LEU 22 3HD1 LEU 22 10.772 -5.311 -10.791
138 HD21 LEU 22 3HD2 LEU 22 7.066 -6.635 -9.835
139 HD22 LEU 22 1HD2 LEU 22 7.437 -5.328 -10.960
140 HD23 LEU 22 2HD2 LEU 22 7.998 -5.240 -9.290
141 H LEU 23 H LEU 23 10.309 -8.940 -8.759
142 HA LEU 23 HA LEU 23 8.930 -11.482 -8.287
143 HB2 LEU 23 1HB LEU 23 11.111 -12.267 -8.325
144 HB3 LEU 23 2HB LEU 23 11.756 -10.796 -7.599
145 HG LEU 23 HG LEU 23 9.972 -12.509 -5.945
146 HD11 LEU 23 1HD1 LEU 23 12.602 -13.325 -7.019
147 HD12 LEU 23 2HD1 LEU 23 11.240 -14.305 -6.475
148 HD13 LEU 23 3HD1 LEU 23 12.331 -13.580 -5.294
149 HD21 LEU 23 3HD2 LEU 23 10.624 -10.719 -4.703
150 HD22 LEU 23 1HD2 LEU 23 12.144 -10.523 -5.576
151 HD23 LEU 23 2HD2 LEU 23 11.981 -11.793 -4.362
152 H CYS 24 H CYS 24 9.684 -8.301 -7.363
153 HA CYS 24 HA CYS 24 8.585 -8.670 -4.670
154 HB2 CYS 24 1HB CYS 24 9.502 -5.989 -5.522
155 HB3 CYS 24 2HB CYS 24 9.768 -6.843 -4.005
156 H ILE 25 H ILE 25 7.263 -6.611 -3.970
157 HA ILE 25 HA ILE 25 5.297 -6.032 -6.089
158 HB ILE 25 HB ILE 25 4.692 -6.490 -3.165
159 HG12 ILE 25 1HG1 ILE 25 3.974 -8.182 -5.569
160 HG13 ILE 25 2HG1 ILE 25 5.270 -8.554 -4.437
161 HG21 ILE 25 1HG2 ILE 25 2.897 -5.875 -5.507
162 HG22 ILE 25 2HG2 ILE 25 2.331 -6.374 -3.913
163 HG23 ILE 25 3HG2 ILE 25 3.201 -4.852 -4.103
164 HD11 ILE 25 3HD1 ILE 25 2.322 -8.452 -3.858
165 HD12 ILE 25 1HD1 ILE 25 3.366 -9.873 -3.878
166 HD13 ILE 25 2HD1 ILE 25 3.570 -8.645 -2.628
167 H VAL 26 H VAL 26 6.938 -4.918 -3.187
168 HA VAL 26 HA VAL 26 5.773 -2.261 -3.418
169 HB VAL 26 HB VAL 26 7.939 -3.056 -1.488
170 HG11 VAL 26 1HG1 VAL 26 6.516 -1.366 -0.106
171 HG12 VAL 26 2HG1 VAL 26 7.637 -0.773 -1.333
172 HG13 VAL 26 3HG1 VAL 26 5.912 -0.871 -1.687
173 HG21 VAL 26 3HG2 VAL 26 5.000 -3.652 -1.364
174 HG22 VAL 26 1HG2 VAL 26 6.364 -4.731 -1.070
175 HG23 VAL 26 2HG2 VAL 26 5.967 -3.473 0.100
176 H HIS 27 H HIS 27 7.839 -3.613 -5.300
177 HA HIS 27 HA HIS 27 10.271 -2.264 -5.162
178 HB2 HIS 27 1HB HIS 27 10.649 -2.959 -7.386
179 HB3 HIS 27 2HB HIS 27 9.602 -4.197 -6.698
180 HD1 HIS 27 HD1 HIS 27 9.960 -3.108 -9.795
181 HD2 HIS 27 HD2 HIS 27 6.723 -2.666 -7.228
182 HE1 HIS 27 HE1 HIS 27 7.970 -2.722 -11.283
183 H VAL 28 H VAL 28 10.757 -0.856 -7.399
184 HA VAL 28 HA VAL 28 8.915 1.441 -7.240
185 HB VAL 28 HB VAL 28 11.913 1.384 -7.202
186 HG11 VAL 28 1HG1 VAL 28 11.512 2.833 -9.034
187 HG12 VAL 28 2HG1 VAL 28 10.162 3.616 -8.209
188 HG13 VAL 28 3HG1 VAL 28 11.812 3.866 -7.636
189 HG21 VAL 28 3HG2 VAL 28 10.661 1.519 -5.087
190 HG22 VAL 28 1HG2 VAL 28 11.624 2.967 -5.384
191 HG23 VAL 28 2HG2 VAL 28 9.881 2.995 -5.657
192 H THR 29 H THR 29 8.416 2.496 -9.124
193 HA THR 29 HA THR 29 9.628 1.488 -11.606
194 HB THR 29 HB THR 29 7.191 1.857 -12.552
195 HG1 THR 29 HG1 THR 29 5.609 1.619 -11.086
196 HG21 THR 29 3HG2 THR 29 6.779 -0.638 -11.602
197 HG22 THR 29 1HG2 THR 29 8.511 -0.474 -11.311
198 HG23 THR 29 2HG2 THR 29 7.867 -0.269 -12.941
199 H VAL 30 H VAL 30 10.398 3.839 -10.396
200 HA VAL 30 HA VAL 30 9.092 5.922 -12.020
201 HB VAL 30 HB VAL 30 10.860 6.409 -9.628
202 HG11 VAL 30 1HG1 VAL 30 10.115 8.621 -9.711
203 HG12 VAL 30 2HG1 VAL 30 10.388 8.200 -11.403
204 HG13 VAL 30 3HG1 VAL 30 8.749 8.220 -10.750
205 HG21 VAL 30 3HG2 VAL 30 9.218 5.615 -8.345
206 HG22 VAL 30 1HG2 VAL 30 8.257 6.994 -8.879
207 HG23 VAL 30 2HG2 VAL 30 8.126 5.449 -9.719
208 H GLY 31 H GLY 31 10.276 7.136 -13.420
209 HA2 GLY 31 1HA GLY 31 12.159 7.981 -14.492
210 HA3 GLY 31 2HA GLY 31 13.169 7.096 -13.359
211 H CYS 32 H CYS 32 11.129 4.810 -14.320
212 HA CYS 32 HA CYS 32 12.963 3.873 -16.400
213 HB2 CYS 32 1HB CYS 32 11.164 2.558 -14.432
214 HB3 CYS 32 2HB CYS 32 11.403 1.736 -15.971
215 H SER 33 H SER 33 11.646 2.242 -17.948
216 HA SER 33 HA SER 33 9.882 3.981 -19.443
217 HB2 SER 33 1HB SER 33 11.308 1.414 -19.975
218 HB3 SER 33 2HB SER 33 9.888 1.792 -20.951
219 HG SER 33 HG SER 33 12.377 2.800 -21.116
220 H GLY 34 H GLY 34 7.803 3.260 -20.271
221 HA2 GLY 34 1HA GLY 34 6.098 2.329 -18.229
222 HA3 GLY 34 2HA GLY 34 5.656 2.531 -19.918
223 H GLY 35 H GLY 35 6.734 0.309 -17.473
224 HA2 GLY 35 1HA GLY 35 5.657 -1.955 -17.870
225 HA3 GLY 35 2HA GLY 35 6.498 -1.904 -19.413
226 H PHE 36 H PHE 36 8.480 -0.404 -17.275
227 HA PHE 36 HA PHE 36 9.777 -2.903 -16.425
228 HB2 PHE 36 1HB PHE 36 11.229 -0.496 -17.542
229 HB3 PHE 36 2HB PHE 36 11.958 -2.010 -17.017
230 HD1 PHE 36 HD1 PHE 36 9.728 -0.497 -19.547
231 HD2 PHE 36 HD2 PHE 36 12.123 -3.847 -18.470
232 HE1 PHE 36 HE1 PHE 36 9.493 -1.393 -21.826
233 HE2 PHE 36 HE2 PHE 36 11.893 -4.748 -20.748
234 HZ PHE 36 HZ PHE 36 10.577 -3.521 -22.430
235 H GLY 37 H GLY 37 10.380 -2.944 -14.348
236 HA2 GLY 37 1HA GLY 37 10.429 -0.371 -12.893
237 HA3 GLY 37 2HA GLY 37 9.750 -1.840 -12.208
238 H CYS 38 H CYS 38 11.324 -1.155 -10.476
239 HA CYS 38 HA CYS 38 13.762 -2.702 -10.819
240 HB2 CYS 38 1HB CYS 38 15.030 -0.750 -9.665
241 HB3 CYS 38 2HB CYS 38 14.738 -0.667 -11.399
242 H CYS 39 H CYS 39 14.529 -3.587 -8.931
243 HA CYS 39 HA CYS 39 12.916 -3.055 -6.522
244 HB2 CYS 39 1HB CYS 39 12.966 -5.399 -7.823
245 HB3 CYS 39 2HB CYS 39 14.372 -5.632 -6.789
246 H ARG 40 H ARG 40 14.080 -3.654 -4.458
247 HA ARG 40 HA ARG 40 16.402 -2.104 -4.197
248 HB2 ARG 40 1HB ARG 40 15.379 -4.257 -2.336
249 HB3 ARG 40 2HB ARG 40 16.530 -2.994 -1.920
250 HG2 ARG 40 1HG ARG 40 13.791 -2.321 -2.927
251 HG3 ARG 40 2HG ARG 40 14.081 -2.696 -1.227
252 HD2 ARG 40 1HD ARG 40 15.683 -0.626 -2.702
253 HD3 ARG 40 2HD ARG 40 14.149 -0.239 -1.924
254 HE ARG 40 HE ARG 40 15.361 -1.278 0.129
255 HH11 ARG 40 1HH1 ARG 40 16.771 0.725 -2.344
256 HH12 ARG 40 2HH1 ARG 40 17.982 1.390 -1.299
257 HH21 ARG 40 1HH2 ARG 40 16.951 -0.411 1.516
258 HH22 ARG 40 2HH2 ARG 40 18.084 0.742 0.896
259 H ILE 41 H ILE 41 18.402 -2.538 -4.825
260 HA ILE 41 HA ILE 41 19.231 -5.353 -5.058
261 HB ILE 41 HB ILE 41 20.341 -2.921 -6.463
262 HG12 ILE 41 1HG1 ILE 41 19.057 -5.259 -7.824
263 HG13 ILE 41 2HG1 ILE 41 18.038 -4.015 -7.107
264 HG21 ILE 41 1HG2 ILE 41 21.234 -5.262 -7.704
265 HG22 ILE 41 2HG2 ILE 41 22.188 -4.115 -6.764
266 HG23 ILE 41 3HG2 ILE 41 21.470 -5.519 -5.975
267 HD11 ILE 41 3HD1 ILE 41 19.766 -3.915 -9.493
268 HD12 ILE 41 1HD1 ILE 41 18.213 -3.142 -9.177
269 HD13 ILE 41 2HD1 ILE 41 19.692 -2.457 -8.503
270 H GLY 42 H GLY 42 20.487 -2.128 -4.202
271 HA2 GLY 42 1HA GLY 42 21.911 -1.520 -2.489
272 HA3 GLY 42 2HA GLY 42 21.846 -3.176 -1.905
Start of MODEL 14
1 H1 ASP 1 1H ASP 1 4.026 -2.533 1.969
2 HA ASP 1 HA ASP 1 3.426 -0.726 0.425
3 HB2 ASP 1 1HB ASP 1 1.645 0.421 1.918
4 HB3 ASP 1 2HB ASP 1 1.521 -1.314 1.641
5 H ASP 2 H ASP 2 5.939 0.081 1.119
6 HA ASP 2 HA ASP 2 5.519 2.916 1.796
7 HB2 ASP 2 1HB ASP 2 7.868 2.863 2.742
8 HB3 ASP 2 2HB ASP 2 6.654 1.996 3.677
9 H THR 3 H THR 3 5.812 4.072 0.016
10 HA THR 3 HA THR 3 8.114 3.441 -1.704
11 HB THR 3 HB THR 3 5.642 4.551 -2.960
12 HG1 THR 3 HG1 THR 3 4.877 2.423 -3.285
13 HG21 THR 3 3HG2 THR 3 6.618 3.920 -4.909
14 HG22 THR 3 1HG2 THR 3 7.302 2.450 -4.217
15 HG23 THR 3 2HG2 THR 3 8.087 4.005 -3.938
16 HA PRO 4 HA PRO 4 8.408 7.829 -0.394
17 HB2 PRO 4 1HB PRO 4 11.122 7.848 -0.351
18 HB3 PRO 4 2HB PRO 4 10.144 7.279 1.007
19 HG2 PRO 4 1HG PRO 4 11.533 5.696 -1.121
20 HG3 PRO 4 2HG PRO 4 11.443 5.388 0.623
21 HD2 PRO 4 1HD PRO 4 9.886 4.085 -1.169
22 HD3 PRO 4 2HD PRO 4 9.338 4.460 0.477
23 H SER 5 H SER 5 10.174 9.476 -1.369
24 HA SER 5 HA SER 5 9.589 9.572 -4.177
25 HB2 SER 5 1HB SER 5 11.481 11.430 -2.751
26 HB3 SER 5 2HB SER 5 10.444 11.767 -4.137
27 HG SER 5 HG SER 5 9.481 12.656 -2.342
28 H SER 6 H SER 6 10.804 7.424 -4.409
29 HA SER 6 HA SER 6 13.690 7.843 -4.731
30 HB2 SER 6 1HB SER 6 12.145 5.247 -4.913
31 HB3 SER 6 2HB SER 6 13.896 5.435 -4.816
32 HG SER 6 HG SER 6 13.712 6.094 -2.723
33 H ARG 7 H ARG 7 14.255 5.947 -6.645
34 HA ARG 7 HA ARG 7 12.709 5.999 -8.966
35 HB2 ARG 7 1HB ARG 7 13.024 8.352 -9.124
36 HB3 ARG 7 2HB ARG 7 14.736 8.218 -8.746
37 HG2 ARG 7 1HG ARG 7 15.302 7.775 -10.870
38 HG3 ARG 7 2HG ARG 7 13.888 6.753 -11.141
39 HD2 ARG 7 1HD ARG 7 12.613 8.480 -11.879
40 HD3 ARG 7 2HD ARG 7 13.392 9.649 -10.814
41 HE ARG 7 HE ARG 7 14.083 9.072 -13.518
42 HH11 ARG 7 1HH1 ARG 7 15.387 10.055 -10.443
43 HH12 ARG 7 2HH1 ARG 7 16.737 10.891 -11.136
44 HH21 ARG 7 1HH2 ARG 7 15.856 10.170 -14.442
45 HH22 ARG 7 2HH2 ARG 7 17.003 10.957 -13.410
46 H CYS 8 H CYS 8 13.595 4.738 -10.568
47 HA CYS 8 HA CYS 8 15.545 2.894 -9.921
48 HB2 CYS 8 1HB CYS 8 14.698 3.840 -12.667
49 HB3 CYS 8 2HB CYS 8 15.633 2.381 -12.354
50 H GLY 9 H GLY 9 17.671 3.032 -9.677
51 HA2 GLY 9 1HA GLY 9 19.866 3.632 -10.058
52 HA3 GLY 9 2HA GLY 9 19.333 4.485 -11.499
53 H SER 10 H SER 10 17.976 5.150 -8.353
54 HA SER 10 HA SER 10 19.367 7.749 -8.370
55 HB2 SER 10 1HB SER 10 17.430 8.838 -7.833
56 HB3 SER 10 2HB SER 10 16.709 7.453 -8.653
57 HG SER 10 HG SER 10 16.300 6.515 -6.680
58 H GLY 11 H GLY 11 18.745 4.872 -6.644
59 HA2 GLY 11 1HA GLY 11 20.420 5.796 -4.458
60 HA3 GLY 11 2HA GLY 11 18.775 5.365 -4.011
61 H GLY 12 H GLY 12 18.102 3.192 -4.165
62 HA2 GLY 12 1HA GLY 12 20.362 1.296 -4.224
63 HA3 GLY 12 2HA GLY 12 18.899 1.080 -3.274
64 H TRP 13 H TRP 13 17.689 2.251 -5.995
65 HA TRP 13 HA TRP 13 16.999 -0.383 -6.988
66 HB2 TRP 13 1HB TRP 13 16.079 2.229 -8.171
67 HB3 TRP 13 2HB TRP 13 15.265 0.667 -8.191
68 HD1 TRP 13 HD1 TRP 13 15.727 3.772 -6.059
69 HE1 TRP 13 HE1 TRP 13 14.119 3.662 -4.053
70 HE3 TRP 13 HE3 TRP 13 14.081 -1.038 -6.601
71 HZ2 TRP 13 HZ2 TRP 13 12.383 1.784 -2.857
72 HZ3 TRP 13 HZ3 TRP 13 12.448 -1.915 -4.983
73 HH2 TRP 13 HH2 TRP 13 11.618 -0.532 -3.151
74 H GLY 14 H GLY 14 17.659 -1.287 -8.866
75 HA2 GLY 14 1HA GLY 14 20.030 -0.446 -10.091
76 HA3 GLY 14 2HA GLY 14 18.915 -1.631 -10.755
77 HA PRO 15 HA PRO 15 19.039 2.096 -13.546
78 HB2 PRO 15 1HB PRO 15 19.502 0.691 -15.822
79 HB3 PRO 15 2HB PRO 15 20.799 1.263 -14.766
80 HG2 PRO 15 1HG PRO 15 19.560 -1.456 -14.941
81 HG3 PRO 15 2HG PRO 15 21.271 -1.014 -14.790
82 HD2 PRO 15 1HD PRO 15 19.787 -1.839 -12.680
83 HD3 PRO 15 2HD PRO 15 21.109 -0.666 -12.517
84 H CYS 16 H CYS 16 17.797 -1.111 -14.517
85 HA CYS 16 HA CYS 16 15.089 -0.397 -14.450
86 HB2 CYS 16 1HB CYS 16 16.522 0.411 -16.855
87 HB3 CYS 16 2HB CYS 16 15.177 -0.668 -17.214
88 H LEU 17 H LEU 17 14.031 -2.255 -14.258
89 HA LEU 17 HA LEU 17 15.089 -4.628 -15.643
90 HB2 LEU 17 1HB LEU 17 15.669 -4.885 -13.354
91 HB3 LEU 17 2HB LEU 17 14.064 -4.381 -12.826
92 HG LEU 17 HG LEU 17 13.487 -6.600 -14.307
93 HD11 LEU 17 1HD1 LEU 17 15.955 -7.004 -14.527
94 HD12 LEU 17 2HD1 LEU 17 15.036 -8.329 -13.814
95 HD13 LEU 17 3HD1 LEU 17 15.996 -7.267 -12.784
96 HD21 LEU 17 3HD2 LEU 17 14.173 -7.091 -11.480
97 HD22 LEU 17 1HD2 LEU 17 12.666 -7.373 -12.352
98 HD23 LEU 17 2HD2 LEU 17 13.069 -5.750 -11.791
99 HA PRO 18 HA PRO 18 11.023 -5.015 -17.300
100 HB2 PRO 18 1HB PRO 18 11.130 -7.628 -18.029
101 HB3 PRO 18 2HB PRO 18 11.975 -6.350 -18.910
102 HG2 PRO 18 1HG PRO 18 13.039 -8.270 -16.874
103 HG3 PRO 18 2HG PRO 18 13.765 -7.746 -18.405
104 HD2 PRO 18 1HD PRO 18 14.518 -6.726 -16.013
105 HD3 PRO 18 2HD PRO 18 14.539 -5.769 -17.508
106 H ILE 19 H ILE 19 9.170 -5.193 -16.223
107 HA ILE 19 HA ILE 19 8.872 -6.418 -13.739
108 HB ILE 19 HB ILE 19 6.658 -5.873 -15.718
109 HG12 ILE 19 1HG1 ILE 19 7.909 -4.055 -13.648
110 HG13 ILE 19 2HG1 ILE 19 8.037 -3.877 -15.394
111 HG21 ILE 19 1HG2 ILE 19 6.655 -6.110 -12.713
112 HG22 ILE 19 2HG2 ILE 19 5.275 -5.623 -13.695
113 HG23 ILE 19 3HG2 ILE 19 5.944 -7.246 -13.858
114 HD11 ILE 19 3HD1 ILE 19 5.865 -3.143 -13.572
115 HD12 ILE 19 1HD1 ILE 19 6.344 -2.443 -15.118
116 HD13 ILE 19 2HD1 ILE 19 5.353 -3.902 -15.080
117 H VAL 20 H VAL 20 8.799 -7.775 -16.890
118 HA VAL 20 HA VAL 20 7.136 -9.991 -16.523
119 HB VAL 20 HB VAL 20 8.152 -9.227 -18.700
120 HG11 VAL 20 1HG1 VAL 20 10.476 -10.991 -18.293
121 HG12 VAL 20 2HG1 VAL 20 10.337 -9.482 -19.198
122 HG13 VAL 20 3HG1 VAL 20 10.530 -9.447 -17.445
123 HG21 VAL 20 3HG2 VAL 20 6.938 -11.273 -18.670
124 HG22 VAL 20 1HG2 VAL 20 8.423 -11.569 -19.573
125 HG23 VAL 20 2HG2 VAL 20 8.277 -12.131 -17.907
126 H ASP 21 H ASP 21 10.301 -9.320 -15.314
127 HA ASP 21 HA ASP 21 10.536 -12.092 -14.345
128 HB2 ASP 21 1HB ASP 21 12.380 -10.682 -15.786
129 HB3 ASP 21 2HB ASP 21 12.912 -10.368 -14.136
130 H LEU 22 H LEU 22 9.618 -9.086 -13.386
131 HA LEU 22 HA LEU 22 10.829 -8.477 -11.019
132 HB2 LEU 22 1HB LEU 22 8.562 -7.663 -12.314
133 HB3 LEU 22 2HB LEU 22 7.909 -8.375 -10.840
134 HG LEU 22 HG LEU 22 9.622 -6.851 -9.633
135 HD11 LEU 22 1HD1 LEU 22 9.321 -4.878 -11.749
136 HD12 LEU 22 2HD1 LEU 22 10.336 -6.241 -12.217
137 HD13 LEU 22 3HD1 LEU 22 10.734 -5.298 -10.781
138 HD21 LEU 22 3HD2 LEU 22 7.044 -6.679 -9.853
139 HD22 LEU 22 1HD2 LEU 22 7.399 -5.359 -10.968
140 HD23 LEU 22 2HD2 LEU 22 7.958 -5.276 -9.297
141 H LEU 23 H LEU 23 10.282 -8.908 -8.789
142 HA LEU 23 HA LEU 23 8.938 -11.469 -8.307
143 HB2 LEU 23 1HB LEU 23 11.136 -12.213 -8.313
144 HB3 LEU 23 2HB LEU 23 11.744 -10.726 -7.588
145 HG LEU 23 HG LEU 23 9.966 -12.457 -5.946
146 HD11 LEU 23 1HD1 LEU 23 12.190 -13.550 -7.236
147 HD12 LEU 23 2HD1 LEU 23 11.310 -14.220 -5.863
148 HD13 LEU 23 3HD1 LEU 23 12.722 -13.199 -5.591
149 HD21 LEU 23 3HD2 LEU 23 10.576 -10.653 -4.705
150 HD22 LEU 23 1HD2 LEU 23 12.101 -10.434 -5.565
151 HD23 LEU 23 2HD2 LEU 23 11.950 -11.700 -4.347
152 H CYS 24 H CYS 24 9.622 -8.265 -7.411
153 HA CYS 24 HA CYS 24 8.482 -8.628 -4.731
154 HB2 CYS 24 1HB CYS 24 9.392 -5.943 -5.564
155 HB3 CYS 24 2HB CYS 24 9.654 -6.804 -4.050
156 H ILE 25 H ILE 25 7.129 -6.583 -4.066
157 HA ILE 25 HA ILE 25 5.208 -6.021 -6.229
158 HB ILE 25 HB ILE 25 4.547 -6.483 -3.317
159 HG12 ILE 25 1HG1 ILE 25 3.832 -8.166 -5.726
160 HG13 ILE 25 2HG1 ILE 25 5.159 -8.531 -4.629
161 HG21 ILE 25 1HG2 ILE 25 2.214 -6.585 -4.787
162 HG22 ILE 25 2HG2 ILE 25 2.751 -5.245 -3.775
163 HG23 ILE 25 3HG2 ILE 25 3.098 -5.238 -5.504
164 HD11 ILE 25 3HD1 ILE 25 2.517 -9.359 -4.414
165 HD12 ILE 25 1HD1 ILE 25 3.788 -9.519 -3.203
166 HD13 ILE 25 2HD1 ILE 25 2.713 -8.121 -3.173
167 H VAL 26 H VAL 26 6.750 -4.890 -3.275
168 HA VAL 26 HA VAL 26 5.590 -2.236 -3.565
169 HB VAL 26 HB VAL 26 5.933 -3.373 -1.318
170 HG11 VAL 26 1HG1 VAL 26 8.017 -3.615 -0.382
171 HG12 VAL 26 2HG1 VAL 26 8.369 -3.981 -2.072
172 HG13 VAL 26 3HG1 VAL 26 8.745 -2.387 -1.417
173 HG21 VAL 26 3HG2 VAL 26 7.373 -0.796 -1.177
174 HG22 VAL 26 1HG2 VAL 26 5.802 -0.777 -1.979
175 HG23 VAL 26 2HG2 VAL 26 5.935 -1.343 -0.314
176 H HIS 27 H HIS 27 7.730 -3.591 -5.358
177 HA HIS 27 HA HIS 27 10.154 -2.239 -5.125
178 HB2 HIS 27 1HB HIS 27 10.621 -2.937 -7.334
179 HB3 HIS 27 2HB HIS 27 9.562 -4.180 -6.675
180 HD1 HIS 27 HD1 HIS 27 10.012 -3.146 -9.766
181 HD2 HIS 27 HD2 HIS 27 6.695 -2.644 -7.315
182 HE1 HIS 27 HE1 HIS 27 8.073 -2.779 -11.325
183 H VAL 28 H VAL 28 10.721 -0.847 -7.360
184 HA VAL 28 HA VAL 28 8.889 1.461 -7.258
185 HB VAL 28 HB VAL 28 11.886 1.377 -7.187
186 HG11 VAL 28 1HG1 VAL 28 11.811 3.857 -7.638
187 HG12 VAL 28 2HG1 VAL 28 11.512 2.818 -9.033
188 HG13 VAL 28 3HG1 VAL 28 10.165 3.618 -8.223
189 HG21 VAL 28 3HG2 VAL 28 11.591 2.974 -5.381
190 HG22 VAL 28 1HG2 VAL 28 9.852 3.014 -5.674
191 HG23 VAL 28 2HG2 VAL 28 10.614 1.536 -5.085
192 H THR 29 H THR 29 8.415 2.499 -9.156
193 HA THR 29 HA THR 29 9.651 1.463 -11.615
194 HB THR 29 HB THR 29 7.229 1.834 -12.595
195 HG1 THR 29 HG1 THR 29 5.836 2.204 -11.049
196 HG21 THR 29 3HG2 THR 29 6.794 -0.648 -11.606
197 HG22 THR 29 1HG2 THR 29 8.527 -0.487 -11.323
198 HG23 THR 29 2HG2 THR 29 7.878 -0.301 -12.952
199 H VAL 30 H VAL 30 10.401 3.828 -10.395
200 HA VAL 30 HA VAL 30 9.132 5.901 -12.059
201 HB VAL 30 HB VAL 30 10.860 6.373 -9.632
202 HG11 VAL 30 1HG1 VAL 30 9.429 8.071 -11.564
203 HG12 VAL 30 2HG1 VAL 30 9.247 8.526 -9.869
204 HG13 VAL 30 3HG1 VAL 30 10.855 8.415 -10.586
205 HG21 VAL 30 3HG2 VAL 30 9.159 5.690 -8.369
206 HG22 VAL 30 1HG2 VAL 30 8.222 7.038 -9.012
207 HG23 VAL 30 2HG2 VAL 30 8.130 5.454 -9.782
208 H GLY 31 H GLY 31 10.345 7.127 -13.431
209 HA2 GLY 31 1HA GLY 31 12.250 7.956 -14.478
210 HA3 GLY 31 2HA GLY 31 13.237 7.044 -13.346
211 H CYS 32 H CYS 32 11.191 4.786 -14.329
212 HA CYS 32 HA CYS 32 13.017 3.855 -16.418
213 HB2 CYS 32 1HB CYS 32 11.205 2.533 -14.465
214 HB3 CYS 32 2HB CYS 32 11.455 1.721 -16.007
215 H SER 33 H SER 33 11.692 2.245 -17.979
216 HA SER 33 HA SER 33 9.930 4.004 -19.454
217 HB2 SER 33 1HB SER 33 11.650 2.720 -20.650
218 HB3 SER 33 2HB SER 33 10.916 1.214 -20.101
219 HG SER 33 HG SER 33 10.200 2.852 -22.161
220 H GLY 34 H GLY 34 7.848 3.306 -20.279
221 HA2 GLY 34 1HA GLY 34 6.145 2.349 -18.248
222 HA3 GLY 34 2HA GLY 34 5.700 2.574 -19.934
223 H GLY 35 H GLY 35 6.774 0.317 -17.518
224 HA2 GLY 35 1HA GLY 35 5.683 -1.937 -17.961
225 HA3 GLY 35 2HA GLY 35 6.552 -1.870 -19.487
226 H PHE 36 H PHE 36 8.517 -0.402 -17.326
227 HA PHE 36 HA PHE 36 9.778 -2.913 -16.459
228 HB2 PHE 36 1HB PHE 36 11.262 -0.523 -17.569
229 HB3 PHE 36 2HB PHE 36 11.976 -2.036 -17.023
230 HD1 PHE 36 HD1 PHE 36 9.770 -0.542 -19.587
231 HD2 PHE 36 HD2 PHE 36 12.166 -3.876 -18.465
232 HE1 PHE 36 HE1 PHE 36 9.559 -1.455 -21.862
233 HE2 PHE 36 HE2 PHE 36 11.960 -4.793 -20.738
234 HZ PHE 36 HZ PHE 36 10.656 -3.582 -22.441
235 H GLY 37 H GLY 37 10.382 -2.956 -14.379
236 HA2 GLY 37 1HA GLY 37 10.420 -0.384 -12.922
237 HA3 GLY 37 2HA GLY 37 9.740 -1.855 -12.242
238 H CYS 38 H CYS 38 11.305 -1.163 -10.503
239 HA CYS 38 HA CYS 38 13.744 -2.711 -10.829
240 HB2 CYS 38 1HB CYS 38 15.015 -0.758 -9.687
241 HB3 CYS 38 2HB CYS 38 14.718 -0.676 -11.421
242 H CYS 39 H CYS 39 14.512 -3.577 -8.929
243 HA CYS 39 HA CYS 39 12.882 -3.038 -6.533
244 HB2 CYS 39 1HB CYS 39 12.998 -5.400 -7.832
245 HB3 CYS 39 2HB CYS 39 14.357 -5.601 -6.731
246 H ARG 40 H ARG 40 14.029 -3.581 -4.457
247 HA ARG 40 HA ARG 40 16.341 -2.021 -4.198
248 HB2 ARG 40 1HB ARG 40 15.332 -4.162 -2.315
249 HB3 ARG 40 2HB ARG 40 16.454 -2.870 -1.909
250 HG2 ARG 40 1HG ARG 40 13.699 -2.289 -2.936
251 HG3 ARG 40 2HG ARG 40 14.012 -2.594 -1.226
252 HD2 ARG 40 1HD ARG 40 15.416 -0.488 -2.863
253 HD3 ARG 40 2HD ARG 40 14.003 -0.181 -1.853
254 HE ARG 40 HE ARG 40 15.321 -0.530 0.061
255 HH11 ARG 40 1HH1 ARG 40 17.141 -0.844 -2.891
256 HH12 ARG 40 2HH1 ARG 40 18.681 -0.700 -2.110
257 HH21 ARG 40 1HH2 ARG 40 17.343 -0.340 1.100
258 HH22 ARG 40 2HH2 ARG 40 18.795 -0.415 0.160
259 H ILE 41 H ILE 41 18.228 -2.499 -5.116
260 HA ILE 41 HA ILE 41 19.093 -5.281 -5.315
261 HB ILE 41 HB ILE 41 20.337 -2.775 -6.455
262 HG12 ILE 41 1HG1 ILE 41 18.699 -4.959 -7.762
263 HG13 ILE 41 2HG1 ILE 41 18.166 -3.308 -7.463
264 HG21 ILE 41 1HG2 ILE 41 21.999 -4.505 -6.057
265 HG22 ILE 41 2HG2 ILE 41 21.008 -5.677 -6.924
266 HG23 ILE 41 3HG2 ILE 41 21.711 -4.308 -7.785
267 HD11 ILE 41 3HD1 ILE 41 20.187 -4.303 -9.430
268 HD12 ILE 41 1HD1 ILE 41 18.744 -3.328 -9.711
269 HD13 ILE 41 2HD1 ILE 41 20.151 -2.615 -8.922
270 H GLY 42 H GLY 42 20.400 -2.164 -4.173
271 HA2 GLY 42 1HA GLY 42 21.704 -3.522 -1.964
272 HA3 GLY 42 2HA GLY 42 22.792 -2.801 -3.141
Start of MODEL 15
1 H1 ASP 1 1H ASP 1 1.611 2.681 -4.318
2 HA ASP 1 HA ASP 1 1.663 0.575 -3.438
3 HB2 ASP 1 1HB ASP 1 4.236 0.502 -4.996
4 HB3 ASP 1 2HB ASP 1 3.774 -0.830 -3.940
5 H ASP 2 H ASP 2 2.494 2.886 -1.989
6 HA ASP 2 HA ASP 2 3.437 3.477 -0.004
7 HB2 ASP 2 1HB ASP 2 3.314 0.489 0.209
8 HB3 ASP 2 2HB ASP 2 4.102 1.425 1.476
9 H THR 3 H THR 3 5.195 4.278 -1.459
10 HA THR 3 HA THR 3 7.740 3.088 -0.621
11 HB THR 3 HB THR 3 7.702 2.219 -2.779
12 HG1 THR 3 HG1 THR 3 9.581 3.143 -3.085
13 HG21 THR 3 3HG2 THR 3 6.232 4.724 -3.488
14 HG22 THR 3 1HG2 THR 3 5.801 3.045 -3.808
15 HG23 THR 3 2HG2 THR 3 7.077 3.822 -4.745
16 HA PRO 4 HA PRO 4 8.835 7.245 0.309
17 HB2 PRO 4 1HB PRO 4 11.540 7.048 0.178
18 HB3 PRO 4 2HB PRO 4 10.590 6.365 1.503
19 HG2 PRO 4 1HG PRO 4 11.723 5.007 -0.912
20 HG3 PRO 4 2HG PRO 4 11.700 4.456 0.774
21 HD2 PRO 4 1HD PRO 4 9.944 3.552 -1.079
22 HD3 PRO 4 2HD PRO 4 9.518 3.724 0.636
23 H SER 5 H SER 5 10.702 8.865 -0.539
24 HA SER 5 HA SER 5 9.994 9.374 -3.287
25 HB2 SER 5 1HB SER 5 11.788 10.890 -1.377
26 HB3 SER 5 2HB SER 5 11.325 11.453 -2.983
27 HG SER 5 HG SER 5 9.623 12.228 -2.046
28 H SER 6 H SER 6 11.118 7.222 -3.820
29 HA SER 6 HA SER 6 13.995 7.641 -4.264
30 HB2 SER 6 1HB SER 6 12.442 5.050 -4.452
31 HB3 SER 6 2HB SER 6 14.195 5.239 -4.490
32 HG SER 6 HG SER 6 14.225 5.437 -2.386
33 H ARG 7 H ARG 7 14.425 5.850 -6.306
34 HA ARG 7 HA ARG 7 12.702 6.030 -8.502
35 HB2 ARG 7 1HB ARG 7 13.084 8.397 -8.518
36 HB3 ARG 7 2HB ARG 7 14.822 8.174 -8.365
37 HG2 ARG 7 1HG ARG 7 15.096 7.906 -10.564
38 HG3 ARG 7 2HG ARG 7 13.680 6.862 -10.708
39 HD2 ARG 7 1HD ARG 7 12.295 8.583 -11.211
40 HD3 ARG 7 2HD ARG 7 13.156 9.719 -10.173
41 HE ARG 7 HE ARG 7 13.563 9.300 -12.967
42 HH11 ARG 7 1HH1 ARG 7 15.143 10.206 -10.001
43 HH12 ARG 7 2HH1 ARG 7 16.375 11.136 -10.788
44 HH21 ARG 7 1HH2 ARG 7 15.179 10.521 -14.016
45 HH22 ARG 7 2HH2 ARG 7 16.394 11.315 -13.072
46 H CYS 8 H CYS 8 13.446 4.843 -10.231
47 HA CYS 8 HA CYS 8 15.384 2.923 -9.821
48 HB2 CYS 8 1HB CYS 8 14.185 4.043 -12.346
49 HB3 CYS 8 2HB CYS 8 15.369 2.741 -12.390
50 H GLY 9 H GLY 9 17.525 2.986 -9.722
51 HA2 GLY 9 1HA GLY 9 19.707 3.574 -10.170
52 HA3 GLY 9 2HA GLY 9 19.119 4.471 -11.562
53 H SER 10 H SER 10 17.981 5.066 -8.309
54 HA SER 10 HA SER 10 19.402 7.648 -8.354
55 HB2 SER 10 1HB SER 10 16.853 7.677 -8.609
56 HB3 SER 10 2HB SER 10 16.790 7.158 -6.925
57 HG SER 10 HG SER 10 16.865 9.248 -6.602
58 H GLY 11 H GLY 11 18.941 4.720 -6.715
59 HA2 GLY 11 1HA GLY 11 20.715 5.579 -4.591
60 HA3 GLY 11 2HA GLY 11 19.100 5.134 -4.059
61 H GLY 12 H GLY 12 18.402 2.963 -4.290
62 HA2 GLY 12 1HA GLY 12 20.657 1.073 -4.514
63 HA3 GLY 12 2HA GLY 12 19.238 0.820 -3.508
64 H TRP 13 H TRP 13 17.898 2.088 -6.119
65 HA TRP 13 HA TRP 13 17.180 -0.511 -7.186
66 HB2 TRP 13 1HB TRP 13 16.169 2.139 -8.198
67 HB3 TRP 13 2HB TRP 13 15.373 0.568 -8.250
68 HD1 TRP 13 HD1 TRP 13 15.877 3.591 -6.023
69 HE1 TRP 13 HE1 TRP 13 14.390 3.360 -3.935
70 HE3 TRP 13 HE3 TRP 13 14.339 -1.244 -6.652
71 HZ2 TRP 13 HZ2 TRP 13 12.779 1.388 -2.715
72 HZ3 TRP 13 HZ3 TRP 13 12.826 -2.228 -4.980
73 HH2 TRP 13 HH2 TRP 13 12.063 -0.937 -3.053
74 H GLY 14 H GLY 14 17.772 -1.330 -9.120
75 HA2 GLY 14 1HA GLY 14 20.054 -0.380 -10.436
76 HA3 GLY 14 2HA GLY 14 18.939 -1.577 -11.080
77 HA PRO 15 HA PRO 15 18.807 2.241 -13.746
78 HB2 PRO 15 1HB PRO 15 19.188 0.925 -16.089
79 HB3 PRO 15 2HB PRO 15 20.522 1.502 -15.084
80 HG2 PRO 15 1HG PRO 15 19.354 -1.247 -15.286
81 HG3 PRO 15 2HG PRO 15 21.057 -0.757 -15.210
82 HD2 PRO 15 1HD PRO 15 19.713 -1.696 -13.055
83 HD3 PRO 15 2HD PRO 15 21.007 -0.488 -12.921
84 H CYS 16 H CYS 16 17.616 -0.964 -14.788
85 HA CYS 16 HA CYS 16 14.889 -0.306 -14.560
86 HB2 CYS 16 1HB CYS 16 16.203 0.517 -17.033
87 HB3 CYS 16 2HB CYS 16 14.843 -0.564 -17.320
88 H LEU 17 H LEU 17 13.892 -2.188 -14.306
89 HA LEU 17 HA LEU 17 14.897 -4.531 -15.778
90 HB2 LEU 17 1HB LEU 17 15.666 -4.792 -13.545
91 HB3 LEU 17 2HB LEU 17 14.100 -4.326 -12.885
92 HG LEU 17 HG LEU 17 13.456 -6.548 -14.337
93 HD11 LEU 17 1HD1 LEU 17 15.068 -8.229 -14.057
94 HD12 LEU 17 2HD1 LEU 17 16.046 -7.232 -12.980
95 HD13 LEU 17 3HD1 LEU 17 15.955 -6.846 -14.699
96 HD21 LEU 17 3HD2 LEU 17 14.083 -7.502 -11.800
97 HD22 LEU 17 1HD2 LEU 17 12.544 -6.822 -12.328
98 HD23 LEU 17 2HD2 LEU 17 13.750 -5.785 -11.567
99 HA PRO 18 HA PRO 18 10.721 -5.000 -17.103
100 HB2 PRO 18 1HB PRO 18 10.823 -7.607 -17.853
101 HB3 PRO 18 2HB PRO 18 11.567 -6.308 -18.792
102 HG2 PRO 18 1HG PRO 18 12.832 -8.213 -16.859
103 HG3 PRO 18 2HG PRO 18 13.421 -7.668 -18.441
104 HD2 PRO 18 1HD PRO 18 14.342 -6.642 -16.110
105 HD3 PRO 18 2HD PRO 18 14.223 -5.679 -17.597
106 H ILE 19 H ILE 19 8.961 -5.226 -15.886
107 HA ILE 19 HA ILE 19 8.886 -6.457 -13.390
108 HB ILE 19 HB ILE 19 6.509 -5.982 -15.190
109 HG12 ILE 19 1HG1 ILE 19 7.854 -4.111 -13.228
110 HG13 ILE 19 2HG1 ILE 19 7.875 -3.952 -14.980
111 HG21 ILE 19 1HG2 ILE 19 6.777 -7.040 -12.555
112 HG22 ILE 19 2HG2 ILE 19 5.944 -5.489 -12.470
113 HG23 ILE 19 3HG2 ILE 19 5.312 -6.774 -13.499
114 HD11 ILE 19 3HD1 ILE 19 6.230 -2.472 -14.418
115 HD12 ILE 19 1HD1 ILE 19 5.277 -3.928 -14.704
116 HD13 ILE 19 2HD1 ILE 19 5.670 -3.441 -13.055
117 H VAL 20 H VAL 20 8.616 -7.823 -16.526
118 HA VAL 20 HA VAL 20 7.045 -10.082 -16.032
119 HB VAL 20 HB VAL 20 7.864 -9.293 -18.281
120 HG11 VAL 20 1HG1 VAL 20 10.009 -9.469 -18.940
121 HG12 VAL 20 2HG1 VAL 20 10.343 -9.467 -17.207
122 HG13 VAL 20 3HG1 VAL 20 10.255 -10.993 -18.087
123 HG21 VAL 20 3HG2 VAL 20 7.051 -11.748 -17.461
124 HG22 VAL 20 1HG2 VAL 20 7.332 -11.300 -19.144
125 HG23 VAL 20 2HG2 VAL 20 8.588 -12.140 -18.233
126 H ASP 21 H ASP 21 10.272 -9.320 -15.071
127 HA ASP 21 HA ASP 21 10.662 -12.084 -14.129
128 HB2 ASP 21 1HB ASP 21 12.479 -10.109 -15.324
129 HB3 ASP 21 2HB ASP 21 13.121 -10.895 -13.885
130 H LEU 22 H LEU 22 9.736 -9.106 -13.096
131 HA LEU 22 HA LEU 22 11.109 -8.457 -10.832
132 HB2 LEU 22 1HB LEU 22 8.721 -7.718 -11.941
133 HB3 LEU 22 2HB LEU 22 8.211 -8.448 -10.421
134 HG LEU 22 HG LEU 22 9.981 -6.865 -9.364
135 HD11 LEU 22 1HD1 LEU 22 9.384 -4.926 -11.462
136 HD12 LEU 22 2HD1 LEU 22 10.453 -6.229 -11.981
137 HD13 LEU 22 3HD1 LEU 22 10.887 -5.234 -10.591
138 HD21 LEU 22 3HD2 LEU 22 7.391 -6.802 -9.330
139 HD22 LEU 22 1HD2 LEU 22 7.578 -5.468 -10.469
140 HD23 LEU 22 2HD2 LEU 22 8.294 -5.361 -8.861
141 H LEU 23 H LEU 23 10.678 -8.875 -8.550
142 HA LEU 23 HA LEU 23 9.518 -11.508 -7.989
143 HB2 LEU 23 1HB LEU 23 11.762 -12.104 -8.110
144 HB3 LEU 23 2HB LEU 23 12.302 -10.586 -7.394
145 HG LEU 23 HG LEU 23 10.708 -12.434 -5.696
146 HD11 LEU 23 1HD1 LEU 23 12.952 -13.506 -5.073
147 HD12 LEU 23 2HD1 LEU 23 13.500 -12.952 -6.654
148 HD13 LEU 23 3HD1 LEU 23 12.141 -14.069 -6.534
149 HD21 LEU 23 3HD2 LEU 23 11.271 -10.601 -4.471
150 HD22 LEU 23 1HD2 LEU 23 12.747 -10.301 -5.389
151 HD23 LEU 23 2HD2 LEU 23 12.710 -11.579 -4.175
152 H CYS 24 H CYS 24 10.046 -8.261 -7.145
153 HA CYS 24 HA CYS 24 9.017 -8.681 -4.424
154 HB2 CYS 24 1HB CYS 24 9.820 -5.959 -5.210
155 HB3 CYS 24 2HB CYS 24 10.195 -6.869 -3.750
156 H ILE 25 H ILE 25 7.577 -6.778 -3.678
157 HA ILE 25 HA ILE 25 5.608 -6.210 -5.798
158 HB ILE 25 HB ILE 25 5.012 -6.661 -2.872
159 HG12 ILE 25 1HG1 ILE 25 4.503 -8.453 -5.257
160 HG13 ILE 25 2HG1 ILE 25 5.705 -8.736 -4.002
161 HG21 ILE 25 1HG2 ILE 25 3.496 -5.100 -4.045
162 HG22 ILE 25 2HG2 ILE 25 3.134 -6.371 -5.211
163 HG23 ILE 25 3HG2 ILE 25 2.690 -6.577 -3.517
164 HD11 ILE 25 3HD1 ILE 25 4.124 -9.996 -3.066
165 HD12 ILE 25 1HD1 ILE 25 3.427 -8.465 -2.539
166 HD13 ILE 25 2HD1 ILE 25 2.834 -9.246 -4.005
167 H VAL 26 H VAL 26 7.176 -5.058 -2.861
168 HA VAL 26 HA VAL 26 5.946 -2.432 -3.117
169 HB VAL 26 HB VAL 26 6.355 -3.572 -0.884
170 HG11 VAL 26 1HG1 VAL 26 8.671 -4.306 -1.459
171 HG12 VAL 26 2HG1 VAL 26 9.183 -2.623 -1.319
172 HG13 VAL 26 3HG1 VAL 26 8.538 -3.470 0.088
173 HG21 VAL 26 3HG2 VAL 26 6.041 -1.529 -0.066
174 HG22 VAL 26 1HG2 VAL 26 7.709 -1.085 -0.428
175 HG23 VAL 26 2HG2 VAL 26 6.455 -0.872 -1.650
176 H HIS 27 H HIS 27 8.089 -3.721 -4.954
177 HA HIS 27 HA HIS 27 10.482 -2.309 -4.752
178 HB2 HIS 27 1HB HIS 27 10.929 -2.980 -6.975
179 HB3 HIS 27 2HB HIS 27 9.915 -4.255 -6.305
180 HD1 HIS 27 HD1 HIS 27 10.281 -3.206 -9.397
181 HD2 HIS 27 HD2 HIS 27 6.999 -2.776 -6.885
182 HE1 HIS 27 HE1 HIS 27 8.307 -2.879 -10.920
183 H VAL 28 H VAL 28 10.975 -0.890 -6.989
184 HA VAL 28 HA VAL 28 9.091 1.374 -6.834
185 HB VAL 28 HB VAL 28 12.093 1.365 -6.862
186 HG11 VAL 28 1HG1 VAL 28 11.602 2.836 -8.656
187 HG12 VAL 28 2HG1 VAL 28 10.267 3.578 -7.772
188 HG13 VAL 28 3HG1 VAL 28 11.930 3.849 -7.251
189 HG21 VAL 28 3HG2 VAL 28 10.133 2.985 -5.244
190 HG22 VAL 28 1HG2 VAL 28 10.804 1.439 -4.724
191 HG23 VAL 28 2HG2 VAL 28 11.868 2.822 -4.977
192 H THR 29 H THR 29 8.538 2.400 -8.714
193 HA THR 29 HA THR 29 9.741 1.412 -11.209
194 HB THR 29 HB THR 29 7.291 1.715 -12.130
195 HG1 THR 29 HG1 THR 29 5.842 1.911 -10.612
196 HG21 THR 29 3HG2 THR 29 6.942 -0.775 -11.118
197 HG22 THR 29 1HG2 THR 29 8.678 -0.568 -10.891
198 HG23 THR 29 2HG2 THR 29 7.973 -0.406 -12.499
199 H VAL 30 H VAL 30 10.418 3.803 -9.951
200 HA VAL 30 HA VAL 30 9.055 5.849 -11.570
201 HB VAL 30 HB VAL 30 10.896 6.392 -9.248
202 HG11 VAL 30 1HG1 VAL 30 9.283 7.990 -11.087
203 HG12 VAL 30 2HG1 VAL 30 9.031 8.391 -9.387
204 HG13 VAL 30 3HG1 VAL 30 10.653 8.457 -10.078
205 HG21 VAL 30 3HG2 VAL 30 9.342 5.421 -7.952
206 HG22 VAL 30 1HG2 VAL 30 8.389 6.868 -8.284
207 HG23 VAL 30 2HG2 VAL 30 8.137 5.407 -9.239
208 H GLY 31 H GLY 31 10.194 7.165 -12.940
209 HA2 GLY 31 1HA GLY 31 12.046 8.052 -14.037
210 HA3 GLY 31 2HA GLY 31 13.089 7.094 -12.997
211 H CYS 32 H CYS 32 11.033 4.853 -13.950
212 HA CYS 32 HA CYS 32 12.724 4.057 -16.206
213 HB2 CYS 32 1HB CYS 32 11.131 2.605 -14.161
214 HB3 CYS 32 2HB CYS 32 11.252 1.861 -15.752
215 H SER 33 H SER 33 11.321 2.457 -17.713
216 HA SER 33 HA SER 33 9.347 4.209 -18.928
217 HB2 SER 33 1HB SER 33 11.270 2.543 -19.979
218 HB3 SER 33 2HB SER 33 9.794 1.604 -20.203
219 HG SER 33 HG SER 33 10.361 4.215 -21.143
220 H GLY 34 H GLY 34 7.212 3.623 -19.393
221 HA2 GLY 34 1HA GLY 34 5.798 2.292 -17.412
222 HA3 GLY 34 2HA GLY 34 5.179 2.625 -19.023
223 H GLY 35 H GLY 35 6.244 0.232 -16.852
224 HA2 GLY 35 1HA GLY 35 5.350 -2.022 -17.484
225 HA3 GLY 35 2HA GLY 35 6.179 -1.782 -19.015
226 H PHE 36 H PHE 36 8.216 -0.395 -16.957
227 HA PHE 36 HA PHE 36 9.543 -2.901 -16.177
228 HB2 PHE 36 1HB PHE 36 10.951 -0.500 -17.363
229 HB3 PHE 36 2HB PHE 36 11.693 -2.025 -16.887
230 HD1 PHE 36 HD1 PHE 36 9.347 -0.472 -19.284
231 HD2 PHE 36 HD2 PHE 36 11.757 -3.856 -18.358
232 HE1 PHE 36 HE1 PHE 36 8.980 -1.350 -21.553
233 HE2 PHE 36 HE2 PHE 36 11.394 -4.739 -20.625
234 HZ PHE 36 HZ PHE 36 10.005 -3.486 -22.227
235 H GLY 37 H GLY 37 10.270 -2.945 -14.138
236 HA2 GLY 37 1HA GLY 37 10.396 -0.374 -12.684
237 HA3 GLY 37 2HA GLY 37 9.760 -1.846 -11.965
238 H CYS 38 H CYS 38 11.440 -1.125 -10.333
239 HA CYS 38 HA CYS 38 13.892 -2.622 -10.866
240 HB2 CYS 38 1HB CYS 38 14.003 0.114 -9.599
241 HB3 CYS 38 2HB CYS 38 15.352 -0.890 -10.121
242 H CYS 39 H CYS 39 14.781 -3.599 -9.075
243 HA CYS 39 HA CYS 39 13.238 -3.326 -6.579
244 HB2 CYS 39 1HB CYS 39 14.132 -5.672 -8.102
245 HB3 CYS 39 2HB CYS 39 14.490 -5.762 -6.380
246 H ARG 40 H ARG 40 14.458 -3.845 -4.587
247 HA ARG 40 HA ARG 40 16.741 -2.255 -4.337
248 HB2 ARG 40 1HB ARG 40 15.852 -4.501 -2.518
249 HB3 ARG 40 2HB ARG 40 16.953 -3.197 -2.092
250 HG2 ARG 40 1HG ARG 40 14.152 -2.647 -3.005
251 HG3 ARG 40 2HG ARG 40 14.527 -3.019 -1.321
252 HD2 ARG 40 1HD ARG 40 15.818 -0.804 -2.906
253 HD3 ARG 40 2HD ARG 40 14.438 -0.583 -1.831
254 HE ARG 40 HE ARG 40 15.839 -0.986 0.013
255 HH11 ARG 40 1HH1 ARG 40 17.549 -1.102 -3.017
256 HH12 ARG 40 2HH1 ARG 40 19.114 -0.950 -2.290
257 HH21 ARG 40 1HH2 ARG 40 17.894 -0.785 0.983
258 HH22 ARG 40 2HH2 ARG 40 19.309 -0.770 -0.015
259 H ILE 41 H ILE 41 18.560 -2.665 -5.436
260 HA ILE 41 HA ILE 41 19.509 -5.406 -5.728
261 HB ILE 41 HB ILE 41 20.589 -2.824 -6.865
262 HG12 ILE 41 1HG1 ILE 41 19.018 -5.081 -8.130
263 HG13 ILE 41 2HG1 ILE 41 18.424 -3.455 -7.809
264 HG21 ILE 41 1HG2 ILE 41 21.415 -5.676 -7.394
265 HG22 ILE 41 2HG2 ILE 41 21.990 -4.263 -8.278
266 HG23 ILE 41 3HG2 ILE 41 22.370 -4.446 -6.566
267 HD11 ILE 41 3HD1 ILE 41 20.240 -2.628 -9.350
268 HD12 ILE 41 1HD1 ILE 41 20.488 -4.312 -9.810
269 HD13 ILE 41 2HD1 ILE 41 18.930 -3.538 -10.102
270 H GLY 42 H GLY 42 20.781 -2.281 -4.567
271 HA2 GLY 42 1HA GLY 42 21.816 -2.513 -2.263
272 HA3 GLY 42 2HA GLY 42 22.770 -3.795 -2.995
Start of MODEL 16
1 H1 ASP 1 1H ASP 1 2.289 -0.915 -1.733
2 HA ASP 1 HA ASP 1 3.864 0.590 -3.702
3 HB2 ASP 1 1HB ASP 1 1.449 -0.367 -4.108
4 HB3 ASP 1 2HB ASP 1 0.948 1.074 -3.227
5 H ASP 2 H ASP 2 4.667 1.024 -1.143
6 HA ASP 2 HA ASP 2 3.840 3.803 -0.736
7 HB2 ASP 2 1HB ASP 2 3.993 3.308 1.797
8 HB3 ASP 2 2HB ASP 2 2.532 2.826 0.940
9 H THR 3 H THR 3 5.999 3.699 -1.982
10 HA THR 3 HA THR 3 8.268 3.404 -0.142
11 HB THR 3 HB THR 3 9.473 3.920 -2.489
12 HG1 THR 3 HG1 THR 3 7.278 2.354 -3.331
13 HG21 THR 3 3HG2 THR 3 10.138 1.744 -2.418
14 HG22 THR 3 1HG2 THR 3 8.495 1.134 -2.225
15 HG23 THR 3 2HG2 THR 3 9.351 1.815 -0.842
16 HA PRO 4 HA PRO 4 9.019 7.717 0.176
17 HB2 PRO 4 1HB PRO 4 11.730 7.836 0.093
18 HB3 PRO 4 2HB PRO 4 10.838 7.204 1.482
19 HG2 PRO 4 1HG PRO 4 12.181 5.718 -0.743
20 HG3 PRO 4 2HG PRO 4 12.185 5.371 0.996
21 HD2 PRO 4 1HD PRO 4 10.594 4.048 -0.750
22 HD3 PRO 4 2HD PRO 4 10.111 4.368 0.928
23 H SER 5 H SER 5 10.757 9.415 -0.844
24 HA SER 5 HA SER 5 9.993 9.592 -3.606
25 HB2 SER 5 1HB SER 5 10.123 11.572 -2.087
26 HB3 SER 5 2HB SER 5 11.876 11.385 -2.056
27 HG SER 5 HG SER 5 10.346 11.757 -4.417
28 H SER 6 H SER 6 11.206 7.441 -3.941
29 HA SER 6 HA SER 6 14.057 7.897 -4.463
30 HB2 SER 6 1HB SER 6 12.533 5.284 -4.549
31 HB3 SER 6 2HB SER 6 14.284 5.491 -4.585
32 HG SER 6 HG SER 6 13.661 4.977 -2.498
33 H ARG 7 H ARG 7 14.507 6.024 -6.427
34 HA ARG 7 HA ARG 7 12.794 6.080 -8.631
35 HB2 ARG 7 1HB ARG 7 13.097 8.444 -8.770
36 HB3 ARG 7 2HB ARG 7 14.837 8.297 -8.558
37 HG2 ARG 7 1HG ARG 7 15.196 7.855 -10.730
38 HG3 ARG 7 2HG ARG 7 13.737 6.874 -10.880
39 HD2 ARG 7 1HD ARG 7 12.488 8.615 -11.565
40 HD3 ARG 7 2HD ARG 7 13.255 9.734 -10.439
41 HE ARG 7 HE ARG 7 13.977 9.265 -13.182
42 HH11 ARG 7 1HH1 ARG 7 15.086 10.379 -10.076
43 HH12 ARG 7 2HH1 ARG 7 16.353 11.360 -10.735
44 HH21 ARG 7 1HH2 ARG 7 15.642 10.552 -14.062
45 HH22 ARG 7 2HH2 ARG 7 16.668 11.459 -13.002
46 H CYS 8 H CYS 8 13.589 4.879 -10.339
47 HA CYS 8 HA CYS 8 15.567 3.013 -9.846
48 HB2 CYS 8 1HB CYS 8 14.475 4.029 -12.474
49 HB3 CYS 8 2HB CYS 8 15.546 2.638 -12.343
50 H GLY 9 H GLY 9 17.706 3.131 -9.737
51 HA2 GLY 9 1HA GLY 9 19.876 3.733 -10.244
52 HA3 GLY 9 2HA GLY 9 19.254 4.650 -11.608
53 H SER 10 H SER 10 18.016 5.239 -8.421
54 HA SER 10 HA SER 10 19.506 7.782 -8.360
55 HB2 SER 10 1HB SER 10 16.949 7.821 -8.736
56 HB3 SER 10 2HB SER 10 16.833 7.376 -7.034
57 HG SER 10 HG SER 10 17.826 9.736 -8.195
58 H GLY 11 H GLY 11 18.696 4.894 -6.693
59 HA2 GLY 11 1HA GLY 11 20.419 5.701 -4.479
60 HA3 GLY 11 2HA GLY 11 18.773 5.243 -4.070
61 H GLY 12 H GLY 12 18.184 3.102 -4.067
62 HA2 GLY 12 1HA GLY 12 20.426 1.212 -4.324
63 HA3 GLY 12 2HA GLY 12 18.989 0.959 -3.346
64 H TRP 13 H TRP 13 17.700 2.206 -5.994
65 HA TRP 13 HA TRP 13 17.009 -0.402 -7.057
66 HB2 TRP 13 1HB TRP 13 16.022 2.238 -8.118
67 HB3 TRP 13 2HB TRP 13 15.227 0.667 -8.170
68 HD1 TRP 13 HD1 TRP 13 15.678 3.716 -5.969
69 HE1 TRP 13 HE1 TRP 13 14.146 3.508 -3.911
70 HE3 TRP 13 HE3 TRP 13 14.163 -1.129 -6.571
71 HZ2 TRP 13 HZ2 TRP 13 12.512 1.549 -2.703
72 HZ3 TRP 13 HZ3 TRP 13 12.615 -2.095 -4.920
73 HH2 TRP 13 HH2 TRP 13 11.808 -0.782 -3.026
74 H GLY 14 H GLY 14 17.654 -1.241 -8.962
75 HA2 GLY 14 1HA GLY 14 19.962 -0.298 -10.236
76 HA3 GLY 14 2HA GLY 14 18.868 -1.506 -10.891
77 HA PRO 15 HA PRO 15 18.783 2.274 -13.610
78 HB2 PRO 15 1HB PRO 15 19.211 0.926 -15.927
79 HB3 PRO 15 2HB PRO 15 20.525 1.518 -14.903
80 HG2 PRO 15 1HG PRO 15 19.363 -1.235 -15.091
81 HG3 PRO 15 2HG PRO 15 21.063 -0.743 -14.987
82 HD2 PRO 15 1HD PRO 15 19.677 -1.652 -12.846
83 HD3 PRO 15 2HD PRO 15 20.967 -0.442 -12.703
84 H CYS 16 H CYS 16 17.622 -0.941 -14.652
85 HA CYS 16 HA CYS 16 14.889 -0.308 -14.471
86 HB2 CYS 16 1HB CYS 16 16.231 0.557 -16.911
87 HB3 CYS 16 2HB CYS 16 14.894 -0.541 -17.236
88 H LEU 17 H LEU 17 13.897 -2.199 -14.262
89 HA LEU 17 HA LEU 17 14.958 -4.521 -15.728
90 HB2 LEU 17 1HB LEU 17 15.666 -4.799 -13.479
91 HB3 LEU 17 2HB LEU 17 14.081 -4.344 -12.857
92 HG LEU 17 HG LEU 17 13.489 -6.559 -14.346
93 HD11 LEU 17 1HD1 LEU 17 15.991 -7.308 -12.884
94 HD12 LEU 17 2HD1 LEU 17 16.044 -6.800 -14.571
95 HD13 LEU 17 3HD1 LEU 17 15.098 -8.214 -14.105
96 HD21 LEU 17 3HD2 LEU 17 12.525 -6.903 -12.376
97 HD22 LEU 17 1HD2 LEU 17 13.641 -5.791 -11.583
98 HD23 LEU 17 2HD2 LEU 17 14.074 -7.491 -11.769
99 HA PRO 18 HA PRO 18 10.823 -5.005 -17.176
100 HB2 PRO 18 1HB PRO 18 10.968 -7.602 -17.953
101 HB3 PRO 18 2HB PRO 18 11.727 -6.285 -18.856
102 HG2 PRO 18 1HG PRO 18 12.954 -8.203 -16.912
103 HG3 PRO 18 2HG PRO 18 13.582 -7.634 -18.470
104 HD2 PRO 18 1HD PRO 18 14.430 -6.629 -16.103
105 HD3 PRO 18 2HD PRO 18 14.344 -5.649 -17.581
106 H ILE 19 H ILE 19 9.041 -5.248 -15.996
107 HA ILE 19 HA ILE 19 8.919 -6.542 -13.528
108 HB ILE 19 HB ILE 19 6.582 -5.972 -15.352
109 HG12 ILE 19 1HG1 ILE 19 7.886 -4.198 -13.275
110 HG13 ILE 19 2HG1 ILE 19 7.991 -3.977 -15.018
111 HG21 ILE 19 1HG2 ILE 19 5.356 -6.847 -13.722
112 HG22 ILE 19 2HG2 ILE 19 6.792 -7.113 -12.734
113 HG23 ILE 19 3HG2 ILE 19 5.934 -5.575 -12.647
114 HD11 ILE 19 3HD1 ILE 19 5.452 -3.812 -14.977
115 HD12 ILE 19 1HD1 ILE 19 5.614 -3.635 -13.230
116 HD13 ILE 19 2HD1 ILE 19 6.368 -2.461 -14.310
117 H VAL 20 H VAL 20 8.703 -7.815 -16.700
118 HA VAL 20 HA VAL 20 7.082 -10.058 -16.324
119 HB VAL 20 HB VAL 20 8.000 -9.229 -18.519
120 HG11 VAL 20 1HG1 VAL 20 10.165 -9.442 -19.110
121 HG12 VAL 20 2HG1 VAL 20 10.430 -9.454 -17.366
122 HG13 VAL 20 3HG1 VAL 20 10.358 -10.974 -18.258
123 HG21 VAL 20 3HG2 VAL 20 7.523 -11.928 -17.633
124 HG22 VAL 20 1HG2 VAL 20 7.079 -11.151 -19.152
125 HG23 VAL 20 2HG2 VAL 20 8.663 -11.905 -18.978
126 H ASP 21 H ASP 21 10.290 -9.386 -15.231
127 HA ASP 21 HA ASP 21 10.584 -12.178 -14.336
128 HB2 ASP 21 1HB ASP 21 12.365 -11.359 -15.868
129 HB3 ASP 21 2HB ASP 21 12.758 -10.105 -14.696
130 H LEU 22 H LEU 22 9.696 -9.198 -13.273
131 HA LEU 22 HA LEU 22 11.008 -8.630 -10.951
132 HB2 LEU 22 1HB LEU 22 8.676 -7.811 -12.124
133 HB3 LEU 22 2HB LEU 22 8.100 -8.555 -10.634
134 HG LEU 22 HG LEU 22 9.767 -7.048 -9.428
135 HD11 LEU 22 1HD1 LEU 22 9.633 -5.070 -11.556
136 HD12 LEU 22 2HD1 LEU 22 10.607 -6.476 -11.983
137 HD13 LEU 22 3HD1 LEU 22 10.988 -5.547 -10.533
138 HD21 LEU 22 3HD2 LEU 22 7.215 -6.767 -9.730
139 HD22 LEU 22 1HD2 LEU 22 7.653 -5.481 -10.855
140 HD23 LEU 22 2HD2 LEU 22 8.165 -5.390 -9.170
141 H LEU 23 H LEU 23 10.534 -9.099 -8.702
142 HA LEU 23 HA LEU 23 9.260 -11.695 -8.223
143 HB2 LEU 23 1HB LEU 23 11.466 -12.398 -8.308
144 HB3 LEU 23 2HB LEU 23 12.072 -10.907 -7.590
145 HG LEU 23 HG LEU 23 10.391 -12.695 -5.906
146 HD11 LEU 23 1HD1 LEU 23 13.226 -13.264 -6.732
147 HD12 LEU 23 2HD1 LEU 23 11.826 -14.333 -6.826
148 HD13 LEU 23 3HD1 LEU 23 12.503 -13.903 -5.255
149 HD21 LEU 23 3HD2 LEU 23 10.992 -10.886 -4.667
150 HD22 LEU 23 1HD2 LEU 23 12.481 -10.618 -5.574
151 HD23 LEU 23 2HD2 LEU 23 12.404 -11.900 -4.364
152 H CYS 24 H CYS 24 9.897 -8.493 -7.296
153 HA CYS 24 HA CYS 24 8.878 -8.922 -4.579
154 HB2 CYS 24 1HB CYS 24 9.651 -6.198 -5.435
155 HB3 CYS 24 2HB CYS 24 9.996 -7.049 -3.933
156 H ILE 25 H ILE 25 7.541 -6.816 -3.879
157 HA ILE 25 HA ILE 25 5.494 -6.335 -5.940
158 HB ILE 25 HB ILE 25 4.848 -6.738 -3.024
159 HG12 ILE 25 1HG1 ILE 25 5.770 -8.819 -4.030
160 HG13 ILE 25 2HG1 ILE 25 4.076 -8.969 -3.575
161 HG21 ILE 25 1HG2 ILE 25 2.553 -7.174 -4.134
162 HG22 ILE 25 2HG2 ILE 25 3.122 -5.513 -3.970
163 HG23 ILE 25 3HG2 ILE 25 3.251 -6.340 -5.522
164 HD11 ILE 25 3HD1 ILE 25 5.248 -9.534 -6.049
165 HD12 ILE 25 1HD1 ILE 25 3.533 -9.541 -5.638
166 HD13 ILE 25 2HD1 ILE 25 4.279 -8.080 -6.288
167 H VAL 26 H VAL 26 7.086 -5.225 -3.003
168 HA VAL 26 HA VAL 26 5.830 -2.606 -3.192
169 HB VAL 26 HB VAL 26 6.276 -3.785 -0.986
170 HG11 VAL 26 1HG1 VAL 26 8.813 -4.060 -1.958
171 HG12 VAL 26 2HG1 VAL 26 8.986 -2.690 -0.858
172 HG13 VAL 26 3HG1 VAL 26 8.351 -4.225 -0.264
173 HG21 VAL 26 3HG2 VAL 26 7.569 -1.083 -1.063
174 HG22 VAL 26 1HG2 VAL 26 5.852 -1.278 -1.416
175 HG23 VAL 26 2HG2 VAL 26 6.491 -1.766 0.154
176 H HIS 27 H HIS 27 7.961 -3.841 -5.078
177 HA HIS 27 HA HIS 27 10.344 -2.413 -4.880
178 HB2 HIS 27 1HB HIS 27 10.767 -3.036 -7.122
179 HB3 HIS 27 2HB HIS 27 9.776 -4.334 -6.462
180 HD1 HIS 27 HD1 HIS 27 10.095 -3.171 -9.536
181 HD2 HIS 27 HD2 HIS 27 6.831 -2.927 -6.977
182 HE1 HIS 27 HE1 HIS 27 8.096 -2.848 -11.026
183 H VAL 28 H VAL 28 10.805 -0.942 -7.084
184 HA VAL 28 HA VAL 28 8.872 1.277 -6.917
185 HB VAL 28 HB VAL 28 11.864 1.343 -6.769
186 HG11 VAL 28 1HG1 VAL 28 11.675 3.829 -7.165
187 HG12 VAL 28 2HG1 VAL 28 11.482 2.809 -8.591
188 HG13 VAL 28 3HG1 VAL 28 10.066 3.518 -7.814
189 HG21 VAL 28 3HG2 VAL 28 11.501 2.751 -4.890
190 HG22 VAL 28 1HG2 VAL 28 9.799 2.966 -5.299
191 HG23 VAL 28 2HG2 VAL 28 10.379 1.399 -4.736
192 H THR 29 H THR 29 8.363 2.329 -8.792
193 HA THR 29 HA THR 29 9.694 1.422 -11.256
194 HB THR 29 HB THR 29 7.308 1.731 -12.293
195 HG1 THR 29 HG1 THR 29 5.651 1.494 -10.901
196 HG21 THR 29 3HG2 THR 29 6.864 -0.746 -11.279
197 HG22 THR 29 1HG2 THR 29 8.589 -0.561 -10.964
198 HG23 THR 29 2HG2 THR 29 7.971 -0.404 -12.608
199 H VAL 30 H VAL 30 10.401 3.755 -9.996
200 HA VAL 30 HA VAL 30 9.063 5.865 -11.552
201 HB VAL 30 HB VAL 30 10.917 6.300 -9.216
202 HG11 VAL 30 1HG1 VAL 30 10.597 8.470 -9.585
203 HG12 VAL 30 2HG1 VAL 30 9.818 8.031 -11.106
204 HG13 VAL 30 3HG1 VAL 30 8.848 8.261 -9.651
205 HG21 VAL 30 3HG2 VAL 30 8.185 5.326 -9.226
206 HG22 VAL 30 1HG2 VAL 30 9.334 5.453 -7.895
207 HG23 VAL 30 2HG2 VAL 30 8.346 6.843 -8.342
208 H GLY 31 H GLY 31 10.203 7.145 -12.939
209 HA2 GLY 31 1HA GLY 31 12.052 8.024 -14.044
210 HA3 GLY 31 2HA GLY 31 13.096 7.079 -12.992
211 H CYS 32 H CYS 32 11.023 4.840 -13.951
212 HA CYS 32 HA CYS 32 12.739 4.012 -16.176
213 HB2 CYS 32 1HB CYS 32 11.086 2.585 -14.156
214 HB3 CYS 32 2HB CYS 32 11.258 1.829 -15.737
215 H SER 33 H SER 33 11.347 2.421 -17.698
216 HA SER 33 HA SER 33 9.369 4.178 -18.916
217 HB2 SER 33 1HB SER 33 11.331 2.845 -20.095
218 HB3 SER 33 2HB SER 33 10.135 1.550 -20.119
219 HG SER 33 HG SER 33 8.710 3.059 -21.163
220 H GLY 34 H GLY 34 7.269 3.505 -19.493
221 HA2 GLY 34 1HA GLY 34 5.838 2.122 -17.556
222 HA3 GLY 34 2HA GLY 34 5.259 2.441 -19.184
223 H GLY 35 H GLY 35 6.177 0.064 -16.985
224 HA2 GLY 35 1HA GLY 35 5.438 -2.207 -17.648
225 HA3 GLY 35 2HA GLY 35 6.296 -1.938 -19.157
226 H PHE 36 H PHE 36 8.248 -0.499 -17.060
227 HA PHE 36 HA PHE 36 9.624 -2.967 -16.245
228 HB2 PHE 36 1HB PHE 36 11.001 -0.535 -17.400
229 HB3 PHE 36 2HB PHE 36 11.762 -2.049 -16.920
230 HD1 PHE 36 HD1 PHE 36 9.428 -0.526 -19.348
231 HD2 PHE 36 HD2 PHE 36 11.890 -3.866 -18.402
232 HE1 PHE 36 HE1 PHE 36 9.118 -1.396 -21.629
233 HE2 PHE 36 HE2 PHE 36 11.586 -4.740 -20.682
234 HZ PHE 36 HZ PHE 36 10.199 -3.505 -22.299
235 H GLY 37 H GLY 37 10.277 -2.990 -14.185
236 HA2 GLY 37 1HA GLY 37 10.336 -0.410 -12.743
237 HA3 GLY 37 2HA GLY 37 9.694 -1.884 -12.033
238 H CYS 38 H CYS 38 11.328 -1.112 -10.365
239 HA CYS 38 HA CYS 38 13.795 -2.614 -10.801
240 HB2 CYS 38 1HB CYS 38 13.927 0.124 -9.557
241 HB3 CYS 38 2HB CYS 38 15.250 -0.874 -10.151
242 H CYS 39 H CYS 39 14.649 -3.530 -8.959
243 HA CYS 39 HA CYS 39 13.052 -3.182 -6.507
244 HB2 CYS 39 1HB CYS 39 13.322 -5.484 -7.961
245 HB3 CYS 39 2HB CYS 39 14.600 -5.670 -6.764
246 H ARG 40 H ARG 40 14.231 -3.666 -4.478
247 HA ARG 40 HA ARG 40 16.500 -2.072 -4.201
248 HB2 ARG 40 1HB ARG 40 15.612 -4.328 -2.393
249 HB3 ARG 40 2HB ARG 40 16.696 -3.014 -1.953
250 HG2 ARG 40 1HG ARG 40 13.898 -2.495 -2.896
251 HG3 ARG 40 2HG ARG 40 14.264 -2.854 -1.207
252 HD2 ARG 40 1HD ARG 40 15.556 -0.637 -2.788
253 HD3 ARG 40 2HD ARG 40 14.150 -0.419 -1.746
254 HE ARG 40 HE ARG 40 15.512 -0.788 0.133
255 HH11 ARG 40 1HH1 ARG 40 17.292 -0.932 -2.856
256 HH12 ARG 40 2HH1 ARG 40 18.839 -0.763 -2.094
257 HH21 ARG 40 1HH2 ARG 40 17.543 -0.565 1.147
258 HH22 ARG 40 2HH2 ARG 40 18.980 -0.555 0.183
259 H ILE 41 H ILE 41 18.335 -2.461 -5.278
260 HA ILE 41 HA ILE 41 19.315 -5.185 -5.584
261 HB ILE 41 HB ILE 41 20.628 -2.658 -6.576
262 HG12 ILE 41 1HG1 ILE 41 18.366 -2.718 -7.462
263 HG13 ILE 41 2HG1 ILE 41 19.506 -3.130 -8.739
264 HG21 ILE 41 1HG2 ILE 41 21.487 -4.316 -8.309
265 HG22 ILE 41 2HG2 ILE 41 22.154 -4.437 -6.682
266 HG23 ILE 41 3HG2 ILE 41 20.919 -5.577 -7.216
267 HD11 ILE 41 3HD1 ILE 41 18.964 -5.583 -7.962
268 HD12 ILE 41 1HD1 ILE 41 17.485 -4.820 -7.376
269 HD13 ILE 41 2HD1 ILE 41 17.915 -4.717 -9.084
270 H GLY 42 H GLY 42 20.539 -2.081 -4.322
271 HA2 GLY 42 1HA GLY 42 21.889 -1.688 -2.484
272 HA3 GLY 42 2HA GLY 42 21.847 -3.410 -2.133
Start of MODEL 17
1 H1 ASP 1 1H ASP 1 1.948 1.625 4.349
2 HA ASP 1 HA ASP 1 3.960 -0.301 3.475
3 HB2 ASP 1 1HB ASP 1 1.538 -0.897 4.142
4 HB3 ASP 1 2HB ASP 1 1.092 -0.244 2.568
5 H ASP 2 H ASP 2 4.725 2.077 2.582
6 HA ASP 2 HA ASP 2 4.477 1.795 -0.283
7 HB2 ASP 2 1HB ASP 2 2.696 3.510 0.904
8 HB3 ASP 2 2HB ASP 2 4.025 4.591 0.495
9 H THR 3 H THR 3 6.270 2.487 -1.343
10 HA THR 3 HA THR 3 8.564 3.162 0.242
11 HB THR 3 HB THR 3 9.429 3.485 -2.318
12 HG1 THR 3 HG1 THR 3 7.474 1.431 -2.485
13 HG21 THR 3 3HG2 THR 3 9.420 1.379 -0.324
14 HG22 THR 3 1HG2 THR 3 10.711 1.895 -1.409
15 HG23 THR 3 2HG2 THR 3 9.506 0.731 -1.961
16 HA PRO 4 HA PRO 4 8.666 7.532 -0.151
17 HB2 PRO 4 1HB PRO 4 11.311 8.015 -0.522
18 HB3 PRO 4 2HB PRO 4 10.638 7.493 1.027
19 HG2 PRO 4 1HG PRO 4 12.018 5.875 -1.080
20 HG3 PRO 4 2HG PRO 4 12.209 5.814 0.681
21 HD2 PRO 4 1HD PRO 4 10.710 4.020 -0.684
22 HD3 PRO 4 2HD PRO 4 10.315 4.532 0.969
23 H SER 5 H SER 5 9.905 9.306 -1.570
24 HA SER 5 HA SER 5 9.028 8.821 -4.273
25 HB2 SER 5 1HB SER 5 10.421 11.273 -3.180
26 HB3 SER 5 2HB SER 5 9.454 11.164 -4.650
27 HG SER 5 HG SER 5 7.733 11.447 -3.490
28 H SER 6 H SER 6 10.771 7.022 -4.298
29 HA SER 6 HA SER 6 13.406 8.069 -5.017
30 HB2 SER 6 1HB SER 6 12.517 5.711 -3.716
31 HB3 SER 6 2HB SER 6 13.253 5.214 -5.239
32 HG SER 6 HG SER 6 14.991 6.787 -4.507
33 H ARG 7 H ARG 7 14.279 6.128 -6.760
34 HA ARG 7 HA ARG 7 12.521 5.643 -8.925
35 HB2 ARG 7 1HB ARG 7 13.211 7.244 -10.524
36 HB3 ARG 7 2HB ARG 7 12.850 8.156 -9.064
37 HG2 ARG 7 1HG ARG 7 15.561 7.509 -8.882
38 HG3 ARG 7 2HG ARG 7 15.295 7.992 -10.559
39 HD2 ARG 7 1HD ARG 7 13.874 9.881 -9.197
40 HD3 ARG 7 2HD ARG 7 15.221 9.583 -8.099
41 HE ARG 7 HE ARG 7 16.583 10.679 -9.562
42 HH11 ARG 7 1HH1 ARG 7 13.719 9.660 -11.259
43 HH12 ARG 7 2HH1 ARG 7 14.140 10.476 -12.728
44 HH21 ARG 7 1HH2 ARG 7 17.149 11.758 -11.491
45 HH22 ARG 7 2HH2 ARG 7 16.092 11.669 -12.859
46 H CYS 8 H CYS 8 13.726 4.856 -10.880
47 HA CYS 8 HA CYS 8 15.682 2.976 -10.104
48 HB2 CYS 8 1HB CYS 8 14.876 3.922 -12.863
49 HB3 CYS 8 2HB CYS 8 15.880 2.513 -12.538
50 H GLY 9 H GLY 9 17.791 3.224 -9.802
51 HA2 GLY 9 1HA GLY 9 19.967 3.917 -10.227
52 HA3 GLY 9 2HA GLY 9 19.356 4.947 -11.513
53 H SER 10 H SER 10 18.465 4.881 -8.081
54 HA SER 10 HA SER 10 19.583 7.592 -7.815
55 HB2 SER 10 1HB SER 10 16.811 6.676 -7.416
56 HB3 SER 10 2HB SER 10 17.456 7.655 -6.098
57 HG SER 10 HG SER 10 17.759 8.472 -8.777
58 H GLY 11 H GLY 11 18.605 4.600 -6.226
59 HA2 GLY 11 1HA GLY 11 20.667 5.080 -4.200
60 HA3 GLY 11 2HA GLY 11 19.028 4.774 -3.646
61 H GLY 12 H GLY 12 18.094 2.707 -3.995
62 HA2 GLY 12 1HA GLY 12 20.135 0.605 -4.289
63 HA3 GLY 12 2HA GLY 12 18.621 0.436 -3.412
64 H TRP 13 H TRP 13 17.625 2.024 -5.996
65 HA TRP 13 HA TRP 13 16.738 -0.397 -7.322
66 HB2 TRP 13 1HB TRP 13 16.075 2.399 -8.210
67 HB3 TRP 13 2HB TRP 13 15.122 0.929 -8.393
68 HD1 TRP 13 HD1 TRP 13 15.604 3.866 -6.126
69 HE1 TRP 13 HE1 TRP 13 14.052 3.658 -4.084
70 HE3 TRP 13 HE3 TRP 13 14.083 -0.974 -6.753
71 HZ2 TRP 13 HZ2 TRP 13 12.402 1.700 -2.895
72 HZ3 TRP 13 HZ3 TRP 13 12.517 -1.939 -5.119
73 HH2 TRP 13 HH2 TRP 13 11.695 -0.628 -3.230
74 H GLY 14 H GLY 14 17.620 -1.229 -9.101
75 HA2 GLY 14 1HA GLY 14 19.981 -0.234 -10.239
76 HA3 GLY 14 2HA GLY 14 18.956 -1.471 -10.950
77 HA PRO 15 HA PRO 15 18.930 2.270 -13.709
78 HB2 PRO 15 1HB PRO 15 19.441 0.892 -15.992
79 HB3 PRO 15 2HB PRO 15 20.717 1.499 -14.930
80 HG2 PRO 15 1HG PRO 15 19.566 -1.257 -15.123
81 HG3 PRO 15 2HG PRO 15 21.261 -0.761 -14.965
82 HD2 PRO 15 1HD PRO 15 19.800 -1.645 -12.863
83 HD3 PRO 15 2HD PRO 15 21.084 -0.431 -12.691
84 H CYS 16 H CYS 16 17.803 -0.964 -14.731
85 HA CYS 16 HA CYS 16 15.067 -0.314 -14.669
86 HB2 CYS 16 1HB CYS 16 16.509 0.466 -17.082
87 HB3 CYS 16 2HB CYS 16 15.174 -0.631 -17.421
88 H LEU 17 H LEU 17 14.063 -2.194 -14.429
89 HA LEU 17 HA LEU 17 15.160 -4.564 -15.789
90 HB2 LEU 17 1HB LEU 17 15.791 -4.775 -13.510
91 HB3 LEU 17 2HB LEU 17 14.188 -4.297 -12.955
92 HG LEU 17 HG LEU 17 13.634 -6.552 -14.393
93 HD11 LEU 17 1HD1 LEU 17 15.233 -8.246 -13.807
94 HD12 LEU 17 2HD1 LEU 17 16.219 -7.073 -12.936
95 HD13 LEU 17 3HD1 LEU 17 16.059 -6.961 -14.688
96 HD21 LEU 17 3HD2 LEU 17 13.234 -5.667 -11.886
97 HD22 LEU 17 1HD2 LEU 17 14.369 -6.980 -11.569
98 HD23 LEU 17 2HD2 LEU 17 12.856 -7.308 -12.413
99 HA PRO 18 HA PRO 18 11.073 -5.077 -17.358
100 HB2 PRO 18 1HB PRO 18 11.229 -7.698 -18.046
101 HB3 PRO 18 2HB PRO 18 12.026 -6.415 -18.964
102 HG2 PRO 18 1HG PRO 18 13.176 -8.275 -16.920
103 HG3 PRO 18 2HG PRO 18 13.858 -7.759 -18.473
104 HD2 PRO 18 1HD PRO 18 14.633 -6.682 -16.113
105 HD3 PRO 18 2HD PRO 18 14.601 -5.750 -17.623
106 H ILE 19 H ILE 19 9.249 -5.278 -16.236
107 HA ILE 19 HA ILE 19 9.038 -6.490 -13.731
108 HB ILE 19 HB ILE 19 6.766 -5.968 -15.650
109 HG12 ILE 19 1HG1 ILE 19 8.010 -4.134 -13.589
110 HG13 ILE 19 2HG1 ILE 19 8.174 -3.970 -15.334
111 HG21 ILE 19 1HG2 ILE 19 6.883 -7.023 -12.989
112 HG22 ILE 19 2HG2 ILE 19 6.029 -5.480 -12.984
113 HG23 ILE 19 3HG2 ILE 19 5.483 -6.787 -14.035
114 HD11 ILE 19 3HD1 ILE 19 5.738 -3.565 -13.639
115 HD12 ILE 19 1HD1 ILE 19 6.537 -2.423 -14.719
116 HD13 ILE 19 2HD1 ILE 19 5.639 -3.787 -15.386
117 H VAL 20 H VAL 20 8.928 -7.865 -16.865
118 HA VAL 20 HA VAL 20 7.280 -10.085 -16.482
119 HB VAL 20 HB VAL 20 8.297 -9.336 -18.662
120 HG11 VAL 20 1HG1 VAL 20 10.626 -11.086 -18.253
121 HG12 VAL 20 2HG1 VAL 20 10.485 -9.571 -19.146
122 HG13 VAL 20 3HG1 VAL 20 10.675 -9.548 -17.392
123 HG21 VAL 20 3HG2 VAL 20 7.665 -11.951 -17.729
124 HG22 VAL 20 1HG2 VAL 20 7.466 -11.277 -19.347
125 HG23 VAL 20 2HG2 VAL 20 8.976 -12.074 -18.903
126 H ASP 21 H ASP 21 10.443 -9.397 -15.275
127 HA ASP 21 HA ASP 21 10.676 -12.158 -14.274
128 HB2 ASP 21 1HB ASP 21 12.527 -11.422 -15.754
129 HB3 ASP 21 2HB ASP 21 12.877 -10.112 -14.629
130 H LEU 22 H LEU 22 9.767 -9.140 -13.352
131 HA LEU 22 HA LEU 22 10.988 -8.497 -11.000
132 HB2 LEU 22 1HB LEU 22 8.711 -7.706 -12.294
133 HB3 LEU 22 2HB LEU 22 8.069 -8.396 -10.805
134 HG LEU 22 HG LEU 22 9.725 -6.857 -9.599
135 HD11 LEU 22 1HD1 LEU 22 9.623 -4.885 -11.698
136 HD12 LEU 22 2HD1 LEU 22 10.514 -6.316 -12.214
137 HD13 LEU 22 3HD1 LEU 22 11.000 -5.455 -10.754
138 HD21 LEU 22 3HD2 LEU 22 7.171 -6.612 -9.955
139 HD22 LEU 22 1HD2 LEU 22 7.622 -5.339 -11.090
140 HD23 LEU 22 2HD2 LEU 22 8.100 -5.220 -9.396
141 H LEU 23 H LEU 23 10.436 -8.891 -8.759
142 HA LEU 23 HA LEU 23 9.113 -11.455 -8.239
143 HB2 LEU 23 1HB LEU 23 11.315 -12.181 -8.229
144 HB3 LEU 23 2HB LEU 23 11.910 -10.678 -7.528
145 HG LEU 23 HG LEU 23 10.146 -12.399 -5.861
146 HD11 LEU 23 1HD1 LEU 23 11.642 -14.043 -6.771
147 HD12 LEU 23 2HD1 LEU 23 12.130 -13.683 -5.116
148 HD13 LEU 23 3HD1 LEU 23 13.035 -13.004 -6.469
149 HD21 LEU 23 3HD2 LEU 23 10.730 -10.567 -4.649
150 HD22 LEU 23 1HD2 LEU 23 12.254 -10.344 -5.507
151 HD23 LEU 23 2HD2 LEU 23 12.114 -11.591 -4.268
152 H CYS 24 H CYS 24 9.752 -8.231 -7.400
153 HA CYS 24 HA CYS 24 8.616 -8.562 -4.714
154 HB2 CYS 24 1HB CYS 24 9.501 -5.881 -5.586
155 HB3 CYS 24 2HB CYS 24 9.771 -6.717 -4.061
156 H ILE 25 H ILE 25 7.263 -6.484 -4.096
157 HA ILE 25 HA ILE 25 5.341 -5.974 -6.271
158 HB ILE 25 HB ILE 25 4.635 -6.394 -3.365
159 HG12 ILE 25 1HG1 ILE 25 4.129 -8.183 -5.753
160 HG13 ILE 25 2HG1 ILE 25 5.330 -8.481 -4.501
161 HG21 ILE 25 1HG2 ILE 25 3.256 -5.120 -5.501
162 HG22 ILE 25 2HG2 ILE 25 2.408 -6.612 -5.097
163 HG23 ILE 25 3HG2 ILE 25 2.710 -5.404 -3.849
164 HD11 ILE 25 3HD1 ILE 25 3.786 -9.624 -3.410
165 HD12 ILE 25 1HD1 ILE 25 2.929 -8.106 -3.138
166 HD13 ILE 25 2HD1 ILE 25 2.531 -9.106 -4.535
167 H VAL 26 H VAL 26 6.842 -4.819 -3.305
168 HA VAL 26 HA VAL 26 5.658 -2.178 -3.614
169 HB VAL 26 HB VAL 26 5.994 -3.304 -1.361
170 HG11 VAL 26 1HG1 VAL 26 8.749 -2.267 -1.251
171 HG12 VAL 26 2HG1 VAL 26 8.040 -3.697 -0.497
172 HG13 VAL 26 3HG1 VAL 26 8.522 -3.740 -2.194
173 HG21 VAL 26 3HG2 VAL 26 5.701 -0.772 -1.926
174 HG22 VAL 26 1HG2 VAL 26 6.141 -1.267 -0.291
175 HG23 VAL 26 2HG2 VAL 26 7.378 -0.657 -1.391
176 H HIS 27 H HIS 27 7.830 -3.517 -5.381
177 HA HIS 27 HA HIS 27 10.236 -2.135 -5.132
178 HB2 HIS 27 1HB HIS 27 10.729 -2.833 -7.339
179 HB3 HIS 27 2HB HIS 27 9.690 -4.091 -6.676
180 HD1 HIS 27 HD1 HIS 27 10.135 -3.081 -9.772
181 HD2 HIS 27 HD2 HIS 27 6.800 -2.602 -7.340
182 HE1 HIS 27 HE1 HIS 27 8.198 -2.758 -11.343
183 H VAL 28 H VAL 28 10.817 -0.741 -7.355
184 HA VAL 28 HA VAL 28 8.945 1.537 -7.301
185 HB VAL 28 HB VAL 28 11.943 1.510 -7.167
186 HG11 VAL 28 1HG1 VAL 28 11.581 2.956 -9.006
187 HG12 VAL 28 2HG1 VAL 28 10.190 3.714 -8.229
188 HG13 VAL 28 3HG1 VAL 28 11.814 3.994 -7.601
189 HG21 VAL 28 3HG2 VAL 28 10.616 1.628 -5.091
190 HG22 VAL 28 1HG2 VAL 28 11.589 3.075 -5.353
191 HG23 VAL 28 2HG2 VAL 28 9.857 3.106 -5.681
192 H THR 29 H THR 29 8.462 2.521 -9.214
193 HA THR 29 HA THR 29 9.793 1.518 -11.638
194 HB THR 29 HB THR 29 7.393 1.820 -12.682
195 HG1 THR 29 HG1 THR 29 5.913 2.121 -11.209
196 HG21 THR 29 3HG2 THR 29 6.974 -0.656 -11.684
197 HG22 THR 29 1HG2 THR 29 8.691 -0.460 -11.331
198 HG23 THR 29 2HG2 THR 29 8.108 -0.305 -12.989
199 H VAL 30 H VAL 30 10.460 3.904 -10.414
200 HA VAL 30 HA VAL 30 9.164 5.948 -12.091
201 HB VAL 30 HB VAL 30 10.905 6.462 -9.683
202 HG11 VAL 30 1HG1 VAL 30 9.249 8.127 -11.512
203 HG12 VAL 30 2HG1 VAL 30 9.380 8.604 -9.818
204 HG13 VAL 30 3HG1 VAL 30 10.832 8.455 -10.808
205 HG21 VAL 30 3HG2 VAL 30 9.221 5.552 -8.502
206 HG22 VAL 30 1HG2 VAL 30 8.391 7.066 -8.859
207 HG23 VAL 30 2HG2 VAL 30 8.090 5.640 -9.853
208 H GLY 31 H GLY 31 10.352 7.199 -13.466
209 HA2 GLY 31 1HA GLY 31 12.242 8.060 -14.517
210 HA3 GLY 31 2HA GLY 31 13.247 7.145 -13.402
211 H CYS 32 H CYS 32 11.208 4.882 -14.393
212 HA CYS 32 HA CYS 32 13.015 4.002 -16.525
213 HB2 CYS 32 1HB CYS 32 11.305 2.625 -14.523
214 HB3 CYS 32 2HB CYS 32 11.501 1.831 -16.083
215 H SER 33 H SER 33 11.677 2.362 -18.053
216 HA SER 33 HA SER 33 9.752 4.086 -19.397
217 HB2 SER 33 1HB SER 33 10.409 1.459 -20.583
218 HB3 SER 33 2HB SER 33 10.364 3.056 -21.329
219 HG SER 33 HG SER 33 12.410 3.388 -20.791
220 H GLY 34 H GLY 34 7.654 3.470 -19.942
221 HA2 GLY 34 1HA GLY 34 6.166 2.111 -18.048
222 HA3 GLY 34 2HA GLY 34 5.632 2.408 -19.695
223 H GLY 35 H GLY 35 6.463 0.060 -17.434
224 HA2 GLY 35 1HA GLY 35 5.719 -2.214 -18.087
225 HA3 GLY 35 2HA GLY 35 6.632 -1.978 -19.569
226 H PHE 36 H PHE 36 8.534 -0.525 -17.444
227 HA PHE 36 HA PHE 36 9.848 -2.992 -16.529
228 HB2 PHE 36 1HB PHE 36 11.290 -0.606 -17.702
229 HB3 PHE 36 2HB PHE 36 12.021 -2.111 -17.152
230 HD1 PHE 36 HD1 PHE 36 9.778 -0.645 -19.700
231 HD2 PHE 36 HD2 PHE 36 12.186 -3.970 -18.576
232 HE1 PHE 36 HE1 PHE 36 9.537 -1.580 -21.963
233 HE2 PHE 36 HE2 PHE 36 11.949 -4.910 -20.837
234 HZ PHE 36 HZ PHE 36 10.624 -3.715 -22.534
235 H GLY 37 H GLY 37 10.432 -2.976 -14.448
236 HA2 GLY 37 1HA GLY 37 10.487 -0.364 -13.065
237 HA3 GLY 37 2HA GLY 37 9.796 -1.810 -12.344
238 H CYS 38 H CYS 38 11.388 -1.025 -10.641
239 HA CYS 38 HA CYS 38 13.838 -2.582 -10.955
240 HB2 CYS 38 1HB CYS 38 13.971 0.197 -9.800
241 HB3 CYS 38 2HB CYS 38 15.302 -0.848 -10.285
242 H CYS 39 H CYS 39 14.611 -3.465 -9.064
243 HA CYS 39 HA CYS 39 12.956 -3.003 -6.669
244 HB2 CYS 39 1HB CYS 39 13.023 -5.321 -7.997
245 HB3 CYS 39 2HB CYS 39 14.445 -5.560 -6.986
246 H ARG 40 H ARG 40 14.120 -3.675 -4.608
247 HA ARG 40 HA ARG 40 16.438 -2.097 -4.316
248 HB2 ARG 40 1HB ARG 40 15.425 -4.244 -2.445
249 HB3 ARG 40 2HB ARG 40 16.506 -2.920 -2.033
250 HG2 ARG 40 1HG ARG 40 13.791 -2.344 -3.133
251 HG3 ARG 40 2HG ARG 40 13.993 -2.764 -1.431
252 HD2 ARG 40 1HD ARG 40 15.521 -0.562 -2.808
253 HD3 ARG 40 2HD ARG 40 14.011 -0.305 -1.935
254 HE ARG 40 HE ARG 40 15.372 -1.406 -0.013
255 HH11 ARG 40 1HH1 ARG 40 16.564 0.813 -2.417
256 HH12 ARG 40 2HH1 ARG 40 17.794 1.469 -1.389
257 HH21 ARG 40 1HH2 ARG 40 16.989 -0.549 1.350
258 HH22 ARG 40 2HH2 ARG 40 18.036 0.694 0.753
259 H ILE 41 H ILE 41 18.371 -2.576 -5.112
260 HA ILE 41 HA ILE 41 19.211 -5.391 -5.217
261 HB ILE 41 HB ILE 41 20.308 -3.006 -6.710
262 HG12 ILE 41 1HG1 ILE 41 18.692 -5.378 -7.670
263 HG13 ILE 41 2HG1 ILE 41 18.088 -3.734 -7.489
264 HG21 ILE 41 1HG2 ILE 41 22.133 -4.211 -7.080
265 HG22 ILE 41 2HG2 ILE 41 21.478 -5.538 -6.123
266 HG23 ILE 41 3HG2 ILE 41 21.143 -5.449 -7.852
267 HD11 ILE 41 3HD1 ILE 41 20.411 -3.662 -9.121
268 HD12 ILE 41 1HD1 ILE 41 19.329 -4.915 -9.729
269 HD13 ILE 41 2HD1 ILE 41 18.745 -3.261 -9.541
270 H GLY 42 H GLY 42 20.519 -2.148 -4.511
271 HA2 GLY 42 1HA GLY 42 22.184 -3.377 -2.422
272 HA3 GLY 42 2HA GLY 42 22.947 -2.355 -3.631
Start of MODEL 18
1 H1 ASP 1 1H ASP 1 1.698 0.329 -0.872
2 HA ASP 1 HA ASP 1 3.306 1.024 -2.324
3 HB2 ASP 1 1HB ASP 1 2.470 2.456 -4.297
4 HB3 ASP 1 2HB ASP 1 1.842 0.818 -4.145
5 H ASP 2 H ASP 2 3.289 2.366 0.005
6 HA ASP 2 HA ASP 2 3.544 5.211 -0.682
7 HB2 ASP 2 1HB ASP 2 3.519 3.947 2.066
8 HB3 ASP 2 2HB ASP 2 3.431 5.666 1.693
9 H THR 3 H THR 3 5.560 4.636 -1.825
10 HA THR 3 HA THR 3 7.821 3.963 -0.107
11 HB THR 3 HB THR 3 8.976 4.342 -2.509
12 HG1 THR 3 HG1 THR 3 7.497 4.509 -4.004
13 HG21 THR 3 3HG2 THR 3 9.412 2.254 -1.786
14 HG22 THR 3 1HG2 THR 3 8.069 1.793 -2.831
15 HG23 THR 3 2HG2 THR 3 7.798 2.046 -1.107
16 HA PRO 4 HA PRO 4 9.412 8.032 0.304
17 HB2 PRO 4 1HB PRO 4 12.086 7.632 0.064
18 HB3 PRO 4 2HB PRO 4 11.162 7.123 1.482
19 HG2 PRO 4 1HG PRO 4 12.073 5.504 -0.865
20 HG3 PRO 4 2HG PRO 4 12.100 5.089 0.859
21 HD2 PRO 4 1HD PRO 4 10.193 4.173 -0.832
22 HD3 PRO 4 2HD PRO 4 9.870 4.507 0.881
23 H SER 5 H SER 5 11.406 9.396 -0.764
24 HA SER 5 HA SER 5 10.559 9.793 -3.492
25 HB2 SER 5 1HB SER 5 12.300 11.672 -3.376
26 HB3 SER 5 2HB SER 5 10.919 11.797 -2.286
27 HG SER 5 HG SER 5 13.382 11.931 -1.583
28 H SER 6 H SER 6 11.526 7.391 -3.650
29 HA SER 6 HA SER 6 14.303 7.623 -4.599
30 HB2 SER 6 1HB SER 6 12.737 5.309 -3.483
31 HB3 SER 6 2HB SER 6 14.175 5.038 -4.467
32 HG SER 6 HG SER 6 14.954 5.161 -2.446
33 H ARG 7 H ARG 7 14.881 6.494 -6.552
34 HA ARG 7 HA ARG 7 12.705 5.692 -8.313
35 HB2 ARG 7 1HB ARG 7 14.631 7.914 -9.019
36 HB3 ARG 7 2HB ARG 7 13.488 7.174 -10.131
37 HG2 ARG 7 1HG ARG 7 11.644 7.939 -8.651
38 HG3 ARG 7 2HG ARG 7 12.843 8.798 -7.682
39 HD2 ARG 7 1HD ARG 7 12.262 9.248 -10.608
40 HD3 ARG 7 2HD ARG 7 11.767 10.295 -9.278
41 HE ARG 7 HE ARG 7 13.961 11.048 -9.073
42 HH11 ARG 7 1HH1 ARG 7 13.694 8.556 -11.490
43 HH12 ARG 7 2HH1 ARG 7 15.251 8.874 -12.178
44 HH21 ARG 7 1HH2 ARG 7 16.014 11.477 -9.971
45 HH22 ARG 7 2HH2 ARG 7 16.571 10.535 -11.313
46 H CYS 8 H CYS 8 13.563 4.808 -10.403
47 HA CYS 8 HA CYS 8 15.520 2.855 -9.895
48 HB2 CYS 8 1HB CYS 8 14.399 3.848 -12.524
49 HB3 CYS 8 2HB CYS 8 15.384 2.400 -12.341
50 H GLY 9 H GLY 9 17.605 3.273 -9.562
51 HA2 GLY 9 1HA GLY 9 19.772 3.801 -10.266
52 HA3 GLY 9 2HA GLY 9 19.089 4.727 -11.596
53 H SER 10 H SER 10 17.926 5.255 -8.375
54 HA SER 10 HA SER 10 19.383 7.817 -8.313
55 HB2 SER 10 1HB SER 10 16.897 7.985 -8.665
56 HB3 SER 10 2HB SER 10 16.680 7.260 -7.072
57 HG SER 10 HG SER 10 18.077 9.066 -6.332
58 H GLY 11 H GLY 11 18.503 4.940 -6.598
59 HA2 GLY 11 1HA GLY 11 20.293 5.746 -4.417
60 HA3 GLY 11 2HA GLY 11 18.668 5.215 -4.008
61 H GLY 12 H GLY 12 18.174 3.055 -4.019
62 HA2 GLY 12 1HA GLY 12 20.484 1.261 -4.351
63 HA3 GLY 12 2HA GLY 12 19.078 0.935 -3.349
64 H TRP 13 H TRP 13 17.690 2.172 -5.952
65 HA TRP 13 HA TRP 13 17.078 -0.443 -7.043
66 HB2 TRP 13 1HB TRP 13 15.974 2.182 -8.027
67 HB3 TRP 13 2HB TRP 13 15.243 0.582 -8.122
68 HD1 TRP 13 HD1 TRP 13 15.574 3.582 -5.841
69 HE1 TRP 13 HE1 TRP 13 14.083 3.242 -3.771
70 HE3 TRP 13 HE3 TRP 13 14.298 -1.317 -6.555
71 HZ2 TRP 13 HZ2 TRP 13 12.566 1.172 -2.596
72 HZ3 TRP 13 HZ3 TRP 13 12.823 -2.403 -4.911
73 HH2 TRP 13 HH2 TRP 13 11.977 -1.183 -2.973
74 H GLY 14 H GLY 14 17.697 -1.222 -8.987
75 HA2 GLY 14 1HA GLY 14 19.955 -0.198 -10.281
76 HA3 GLY 14 2HA GLY 14 18.869 -1.407 -10.951
77 HA PRO 15 HA PRO 15 18.668 2.466 -13.538
78 HB2 PRO 15 1HB PRO 15 19.128 1.217 -15.904
79 HB3 PRO 15 2HB PRO 15 20.427 1.815 -14.865
80 HG2 PRO 15 1HG PRO 15 19.354 -0.966 -15.147
81 HG3 PRO 15 2HG PRO 15 21.038 -0.423 -15.033
82 HD2 PRO 15 1HD PRO 15 19.693 -1.454 -12.921
83 HD3 PRO 15 2HD PRO 15 20.945 -0.208 -12.740
84 H CYS 16 H CYS 16 17.587 -0.760 -14.630
85 HA CYS 16 HA CYS 16 14.845 -0.216 -14.434
86 HB2 CYS 16 1HB CYS 16 16.138 0.780 -16.849
87 HB3 CYS 16 2HB CYS 16 14.844 -0.358 -17.208
88 H LEU 17 H LEU 17 13.909 -2.142 -14.290
89 HA LEU 17 HA LEU 17 15.040 -4.380 -15.832
90 HB2 LEU 17 1HB LEU 17 15.755 -4.703 -13.587
91 HB3 LEU 17 2HB LEU 17 14.151 -4.329 -12.958
92 HG LEU 17 HG LEU 17 13.640 -6.510 -14.517
93 HD11 LEU 17 1HD1 LEU 17 15.316 -8.149 -14.213
94 HD12 LEU 17 2HD1 LEU 17 16.248 -7.103 -13.143
95 HD13 LEU 17 3HD1 LEU 17 16.128 -6.724 -14.861
96 HD21 LEU 17 3HD2 LEU 17 12.983 -7.438 -12.563
97 HD22 LEU 17 1HD2 LEU 17 13.284 -5.811 -11.954
98 HD23 LEU 17 2HD2 LEU 17 14.503 -7.068 -11.748
99 HA PRO 18 HA PRO 18 10.924 -4.945 -17.300
100 HB2 PRO 18 1HB PRO 18 11.149 -7.510 -18.159
101 HB3 PRO 18 2HB PRO 18 11.867 -6.143 -19.018
102 HG2 PRO 18 1HG PRO 18 13.152 -8.083 -17.135
103 HG3 PRO 18 2HG PRO 18 13.762 -7.446 -18.673
104 HD2 PRO 18 1HD PRO 18 14.578 -6.491 -16.274
105 HD3 PRO 18 2HD PRO 18 14.462 -5.468 -17.720
106 H ILE 19 H ILE 19 9.146 -5.287 -16.138
107 HA ILE 19 HA ILE 19 9.059 -6.652 -13.708
108 HB ILE 19 HB ILE 19 6.705 -6.130 -15.524
109 HG12 ILE 19 1HG1 ILE 19 7.967 -4.344 -13.432
110 HG13 ILE 19 2HG1 ILE 19 8.018 -4.084 -15.172
111 HG21 ILE 19 1HG2 ILE 19 5.500 -7.053 -13.907
112 HG22 ILE 19 2HG2 ILE 19 6.952 -7.326 -12.945
113 HG23 ILE 19 3HG2 ILE 19 6.070 -5.806 -12.798
114 HD11 ILE 19 3HD1 ILE 19 5.679 -3.873 -13.315
115 HD12 ILE 19 1HD1 ILE 19 6.353 -2.651 -14.392
116 HD13 ILE 19 2HD1 ILE 19 5.474 -4.027 -15.059
117 H VAL 20 H VAL 20 8.902 -7.846 -16.915
118 HA VAL 20 HA VAL 20 7.363 -10.154 -16.615
119 HB VAL 20 HB VAL 20 8.279 -9.236 -18.776
120 HG11 VAL 20 1HG1 VAL 20 10.693 -10.910 -18.502
121 HG12 VAL 20 2HG1 VAL 20 10.458 -9.385 -19.357
122 HG13 VAL 20 3HG1 VAL 20 10.697 -9.389 -17.610
123 HG21 VAL 20 3HG2 VAL 20 8.574 -12.169 -18.150
124 HG22 VAL 20 1HG2 VAL 20 7.158 -11.341 -18.798
125 HG23 VAL 20 2HG2 VAL 20 8.610 -11.507 -19.785
126 H ASP 21 H ASP 21 10.516 -9.396 -15.441
127 HA ASP 21 HA ASP 21 10.896 -12.199 -14.615
128 HB2 ASP 21 1HB ASP 21 12.754 -10.157 -15.636
129 HB3 ASP 21 2HB ASP 21 13.338 -11.031 -14.222
130 H LEU 22 H LEU 22 9.903 -9.274 -13.500
131 HA LEU 22 HA LEU 22 11.179 -8.706 -11.158
132 HB2 LEU 22 1HB LEU 22 8.818 -7.957 -12.331
133 HB3 LEU 22 2HB LEU 22 8.272 -8.737 -10.848
134 HG LEU 22 HG LEU 22 9.942 -7.176 -9.662
135 HD11 LEU 22 1HD1 LEU 22 9.548 -5.176 -11.742
136 HD12 LEU 22 2HD1 LEU 22 10.608 -6.497 -12.235
137 HD13 LEU 22 3HD1 LEU 22 10.983 -5.558 -10.790
138 HD21 LEU 22 3HD2 LEU 22 7.338 -7.068 -9.891
139 HD22 LEU 22 1HD2 LEU 22 7.689 -5.666 -10.901
140 HD23 LEU 22 2HD2 LEU 22 8.234 -5.703 -9.224
141 H LEU 23 H LEU 23 10.746 -9.250 -8.929
142 HA LEU 23 HA LEU 23 9.531 -11.883 -8.498
143 HB2 LEU 23 1HB LEU 23 11.754 -12.532 -8.624
144 HB3 LEU 23 2HB LEU 23 12.332 -11.049 -7.866
145 HG LEU 23 HG LEU 23 10.700 -12.916 -6.222
146 HD11 LEU 23 1HD1 LEU 23 12.424 -14.421 -5.808
147 HD12 LEU 23 2HD1 LEU 23 13.640 -13.386 -6.555
148 HD13 LEU 23 3HD1 LEU 23 12.460 -14.226 -7.560
149 HD21 LEU 23 3HD2 LEU 23 11.287 -11.133 -4.939
150 HD22 LEU 23 1HD2 LEU 23 12.765 -10.821 -5.849
151 HD23 LEU 23 2HD2 LEU 23 12.714 -12.136 -4.675
152 H CYS 24 H CYS 24 10.126 -8.691 -7.496
153 HA CYS 24 HA CYS 24 9.124 -9.206 -4.787
154 HB2 CYS 24 1HB CYS 24 9.872 -6.453 -5.566
155 HB3 CYS 24 2HB CYS 24 10.230 -7.344 -4.091
156 H ILE 25 H ILE 25 7.722 -7.229 -3.991
157 HA ILE 25 HA ILE 25 5.676 -6.685 -6.041
158 HB ILE 25 HB ILE 25 5.151 -7.280 -3.126
159 HG12 ILE 25 1HG1 ILE 25 4.429 -8.947 -5.541
160 HG13 ILE 25 2HG1 ILE 25 5.849 -9.245 -4.546
161 HG21 ILE 25 1HG2 ILE 25 3.609 -5.930 -5.101
162 HG22 ILE 25 2HG2 ILE 25 2.826 -7.464 -4.725
163 HG23 ILE 25 3HG2 ILE 25 3.178 -6.315 -3.435
164 HD11 ILE 25 3HD1 ILE 25 2.966 -9.422 -3.719
165 HD12 ILE 25 1HD1 ILE 25 4.136 -10.735 -3.852
166 HD13 ILE 25 2HD1 ILE 25 4.321 -9.513 -2.594
167 H VAL 26 H VAL 26 7.292 -5.609 -3.106
168 HA VAL 26 HA VAL 26 5.997 -3.004 -3.227
169 HB VAL 26 HB VAL 26 6.493 -4.219 -1.050
170 HG11 VAL 26 1HG1 VAL 26 8.642 -4.327 -0.187
171 HG12 VAL 26 2HG1 VAL 26 8.891 -4.730 -1.887
172 HG13 VAL 26 3HG1 VAL 26 9.260 -3.107 -1.300
173 HG21 VAL 26 3HG2 VAL 26 7.795 -1.547 -0.951
174 HG22 VAL 26 1HG2 VAL 26 6.131 -1.646 -1.528
175 HG23 VAL 26 2HG2 VAL 26 6.543 -2.233 0.083
176 H HIS 27 H HIS 27 8.116 -4.174 -5.167
177 HA HIS 27 HA HIS 27 10.482 -2.716 -4.977
178 HB2 HIS 27 1HB HIS 27 10.883 -3.296 -7.232
179 HB3 HIS 27 2HB HIS 27 9.913 -4.617 -6.586
180 HD1 HIS 27 HD1 HIS 27 10.181 -3.421 -9.642
181 HD2 HIS 27 HD2 HIS 27 6.951 -3.204 -7.038
182 HE1 HIS 27 HE1 HIS 27 8.161 -3.085 -11.102
183 H VAL 28 H VAL 28 10.889 -1.200 -7.161
184 HA VAL 28 HA VAL 28 8.947 1.002 -6.893
185 HB VAL 28 HB VAL 28 11.947 1.083 -6.934
186 HG11 VAL 28 1HG1 VAL 28 10.054 3.272 -7.761
187 HG12 VAL 28 2HG1 VAL 28 11.709 3.576 -7.228
188 HG13 VAL 28 3HG1 VAL 28 11.410 2.605 -8.670
189 HG21 VAL 28 3HG2 VAL 28 11.643 2.547 -5.022
190 HG22 VAL 28 1HG2 VAL 28 9.894 2.503 -5.240
191 HG23 VAL 28 2HG2 VAL 28 10.762 1.039 -4.777
192 H THR 29 H THR 29 8.398 2.135 -8.727
193 HA THR 29 HA THR 29 9.596 1.269 -11.266
194 HB THR 29 HB THR 29 7.144 1.531 -12.175
195 HG1 THR 29 HG1 THR 29 5.803 1.853 -10.563
196 HG21 THR 29 3HG2 THR 29 8.554 -0.763 -10.962
197 HG22 THR 29 1HG2 THR 29 7.917 -0.558 -12.593
198 HG23 THR 29 2HG2 THR 29 6.833 -0.990 -11.270
199 H VAL 30 H VAL 30 10.249 3.613 -9.951
200 HA VAL 30 HA VAL 30 8.799 5.694 -11.445
201 HB VAL 30 HB VAL 30 10.694 6.208 -9.164
202 HG11 VAL 30 1HG1 VAL 30 8.595 7.780 -10.613
203 HG12 VAL 30 2HG1 VAL 30 9.103 8.226 -8.983
204 HG13 VAL 30 3HG1 VAL 30 10.279 8.198 -10.298
205 HG21 VAL 30 3HG2 VAL 30 9.250 5.136 -7.829
206 HG22 VAL 30 1HG2 VAL 30 8.188 6.518 -8.101
207 HG23 VAL 30 2HG2 VAL 30 8.009 5.061 -9.079
208 H GLY 31 H GLY 31 9.853 7.018 -12.849
209 HA2 GLY 31 1HA GLY 31 11.638 7.989 -13.982
210 HA3 GLY 31 2HA GLY 31 12.744 7.101 -12.944
211 H CYS 32 H CYS 32 10.737 4.780 -13.908
212 HA CYS 32 HA CYS 32 12.494 4.012 -16.121
213 HB2 CYS 32 1HB CYS 32 10.858 2.531 -14.125
214 HB3 CYS 32 2HB CYS 32 11.069 1.787 -15.707
215 H SER 33 H SER 33 11.165 2.393 -17.667
216 HA SER 33 HA SER 33 9.207 4.109 -18.948
217 HB2 SER 33 1HB SER 33 11.023 2.004 -19.782
218 HB3 SER 33 2HB SER 33 9.401 1.740 -20.422
219 HG SER 33 HG SER 33 11.252 3.567 -21.153
220 H GLY 34 H GLY 34 7.117 3.379 -19.617
221 HA2 GLY 34 1HA GLY 34 5.631 2.132 -17.595
222 HA3 GLY 34 2HA GLY 34 5.065 2.428 -19.233
223 H GLY 35 H GLY 35 6.330 0.103 -17.014
224 HA2 GLY 35 1HA GLY 35 5.413 -2.187 -17.573
225 HA3 GLY 35 2HA GLY 35 6.209 -1.961 -19.123
226 H PHE 36 H PHE 36 8.188 -0.492 -17.002
227 HA PHE 36 HA PHE 36 9.632 -2.958 -16.305
228 HB2 PHE 36 1HB PHE 36 10.921 -0.446 -17.391
229 HB3 PHE 36 2HB PHE 36 11.743 -1.939 -16.950
230 HD1 PHE 36 HD1 PHE 36 9.326 -0.462 -19.327
231 HD2 PHE 36 HD2 PHE 36 11.946 -3.708 -18.477
232 HE1 PHE 36 HE1 PHE 36 9.038 -1.292 -21.625
233 HE2 PHE 36 HE2 PHE 36 11.662 -4.542 -20.774
234 HZ PHE 36 HZ PHE 36 10.207 -3.334 -22.352
235 H GLY 37 H GLY 37 10.312 -3.049 -14.255
236 HA2 GLY 37 1HA GLY 37 10.318 -0.531 -12.706
237 HA3 GLY 37 2HA GLY 37 9.729 -2.051 -12.052
238 H CYS 38 H CYS 38 11.346 -1.354 -10.360
239 HA CYS 38 HA CYS 38 13.832 -2.780 -10.864
240 HB2 CYS 38 1HB CYS 38 15.043 -0.814 -9.656
241 HB3 CYS 38 2HB CYS 38 14.709 -0.690 -11.380
242 H CYS 39 H CYS 39 14.713 -3.711 -9.048
243 HA CYS 39 HA CYS 39 13.180 -3.354 -6.556
244 HB2 CYS 39 1HB CYS 39 13.264 -5.635 -7.964
245 HB3 CYS 39 2HB CYS 39 14.720 -5.857 -7.000
246 H ARG 40 H ARG 40 14.458 -4.019 -4.573
247 HA ARG 40 HA ARG 40 16.726 -2.383 -4.332
248 HB2 ARG 40 1HB ARG 40 15.880 -4.664 -2.536
249 HB3 ARG 40 2HB ARG 40 16.982 -3.363 -2.107
250 HG2 ARG 40 1HG ARG 40 14.174 -2.788 -2.972
251 HG3 ARG 40 2HG ARG 40 14.553 -3.225 -1.305
252 HD2 ARG 40 1HD ARG 40 15.974 -1.004 -2.748
253 HD3 ARG 40 2HD ARG 40 14.469 -0.741 -1.867
254 HE ARG 40 HE ARG 40 15.850 -1.816 0.057
255 HH11 ARG 40 1HH1 ARG 40 17.009 0.385 -2.379
256 HH12 ARG 40 2HH1 ARG 40 18.243 1.061 -1.367
257 HH21 ARG 40 1HH2 ARG 40 17.471 -0.934 1.399
258 HH22 ARG 40 2HH2 ARG 40 18.505 0.309 0.781
259 H ILE 41 H ILE 41 18.702 -2.705 -5.087
260 HA ILE 41 HA ILE 41 19.634 -5.470 -5.478
261 HB ILE 41 HB ILE 41 20.581 -2.935 -6.821
262 HG12 ILE 41 1HG1 ILE 41 19.315 -5.260 -8.223
263 HG13 ILE 41 2HG1 ILE 41 18.291 -4.082 -7.408
264 HG21 ILE 41 1HG2 ILE 41 21.755 -4.693 -8.306
265 HG22 ILE 41 2HG2 ILE 41 22.474 -4.273 -6.752
266 HG23 ILE 41 3HG2 ILE 41 21.549 -5.765 -6.920
267 HD11 ILE 41 3HD1 ILE 41 20.102 -3.697 -9.754
268 HD12 ILE 41 1HD1 ILE 41 18.385 -3.330 -9.598
269 HD13 ILE 41 2HD1 ILE 41 19.579 -2.332 -8.768
270 H GLY 42 H GLY 42 20.831 -2.232 -4.575
271 HA2 GLY 42 1HA GLY 42 23.311 -3.149 -3.561
272 HA3 GLY 42 2HA GLY 42 22.573 -1.590 -3.222
Start of MODEL 19
1 H1 ASP 1 1H ASP 1 4.885 -0.244 -2.920
2 HA ASP 1 HA ASP 1 2.152 -0.291 -1.928
3 HB2 ASP 1 1HB ASP 1 3.371 -2.462 -1.261
4 HB3 ASP 1 2HB ASP 1 4.320 -1.442 -0.185
5 H ASP 2 H ASP 2 3.015 1.997 -2.551
6 HA ASP 2 HA ASP 2 3.509 4.104 -1.850
7 HB2 ASP 2 1HB ASP 2 2.657 2.693 0.592
8 HB3 ASP 2 2HB ASP 2 3.624 4.137 0.876
9 H THR 3 H THR 3 5.607 4.066 -2.704
10 HA THR 3 HA THR 3 7.781 3.368 -0.867
11 HB THR 3 HB THR 3 9.067 4.058 -3.147
12 HG1 THR 3 HG1 THR 3 7.573 4.261 -4.645
13 HG21 THR 3 3HG2 THR 3 9.726 1.991 -2.576
14 HG22 THR 3 1HG2 THR 3 8.444 1.425 -3.646
15 HG23 THR 3 2HG2 THR 3 8.145 1.577 -1.914
16 HA PRO 4 HA PRO 4 8.948 7.515 -0.029
17 HB2 PRO 4 1HB PRO 4 11.658 7.367 -0.058
18 HB3 PRO 4 2HB PRO 4 10.672 6.671 1.233
19 HG2 PRO 4 1HG PRO 4 11.920 5.326 -1.133
20 HG3 PRO 4 2HG PRO 4 11.843 4.781 0.552
21 HD2 PRO 4 1HD PRO 4 10.175 3.838 -1.361
22 HD3 PRO 4 2HD PRO 4 9.683 4.008 0.336
23 H SER 5 H SER 5 10.806 9.170 -0.812
24 HA SER 5 HA SER 5 10.175 9.693 -3.566
25 HB2 SER 5 1HB SER 5 11.941 11.159 -1.593
26 HB3 SER 5 2HB SER 5 11.578 11.738 -3.219
27 HG SER 5 HG SER 5 10.018 11.744 -0.955
28 H SER 6 H SER 6 11.311 7.465 -3.976
29 HA SER 6 HA SER 6 14.177 7.895 -4.470
30 HB2 SER 6 1HB SER 6 12.644 5.287 -4.546
31 HB3 SER 6 2HB SER 6 14.395 5.488 -4.605
32 HG SER 6 HG SER 6 14.249 6.398 -2.484
33 H ARG 7 H ARG 7 14.606 6.026 -6.443
34 HA ARG 7 HA ARG 7 12.874 6.089 -8.632
35 HB2 ARG 7 1HB ARG 7 13.170 8.449 -8.777
36 HB3 ARG 7 2HB ARG 7 14.910 8.312 -8.562
37 HG2 ARG 7 1HG ARG 7 15.277 7.866 -10.734
38 HG3 ARG 7 2HG ARG 7 13.816 6.888 -10.889
39 HD2 ARG 7 1HD ARG 7 12.553 8.644 -11.535
40 HD3 ARG 7 2HD ARG 7 13.378 9.767 -10.454
41 HE ARG 7 HE ARG 7 13.977 9.270 -13.210
42 HH11 ARG 7 1HH1 ARG 7 15.308 10.277 -10.155
43 HH12 ARG 7 2HH1 ARG 7 16.599 11.186 -10.869
44 HH21 ARG 7 1HH2 ARG 7 15.672 10.463 -14.162
45 HH22 ARG 7 2HH2 ARG 7 16.805 11.292 -13.148
46 H CYS 8 H CYS 8 13.647 4.876 -10.336
47 HA CYS 8 HA CYS 8 15.644 3.024 -9.863
48 HB2 CYS 8 1HB CYS 8 14.484 4.011 -12.472
49 HB3 CYS 8 2HB CYS 8 15.582 2.639 -12.364
50 H GLY 9 H GLY 9 17.784 3.157 -9.795
51 HA2 GLY 9 1HA GLY 9 19.940 3.759 -10.370
52 HA3 GLY 9 2HA GLY 9 19.279 4.692 -11.705
53 H SER 10 H SER 10 18.079 5.269 -8.514
54 HA SER 10 HA SER 10 19.605 7.790 -8.434
55 HB2 SER 10 1HB SER 10 17.133 8.022 -8.843
56 HB3 SER 10 2HB SER 10 16.862 7.317 -7.249
57 HG SER 10 HG SER 10 16.922 9.689 -7.383
58 H GLY 11 H GLY 11 18.665 4.929 -6.748
59 HA2 GLY 11 1HA GLY 11 20.413 5.702 -4.529
60 HA3 GLY 11 2HA GLY 11 18.765 5.230 -4.144
61 H GLY 12 H GLY 12 18.227 3.096 -4.070
62 HA2 GLY 12 1HA GLY 12 20.470 1.221 -4.383
63 HA3 GLY 12 2HA GLY 12 19.044 0.953 -3.392
64 H TRP 13 H TRP 13 17.725 2.203 -6.025
65 HA TRP 13 HA TRP 13 17.036 -0.404 -7.090
66 HB2 TRP 13 1HB TRP 13 16.031 2.236 -8.133
67 HB3 TRP 13 2HB TRP 13 15.243 0.662 -8.189
68 HD1 TRP 13 HD1 TRP 13 15.677 3.706 -5.984
69 HE1 TRP 13 HE1 TRP 13 14.165 3.476 -3.914
70 HE3 TRP 13 HE3 TRP 13 14.219 -1.158 -6.580
71 HZ2 TRP 13 HZ2 TRP 13 12.566 1.495 -2.694
72 HZ3 TRP 13 HZ3 TRP 13 12.697 -2.145 -4.917
73 HH2 TRP 13 HH2 TRP 13 11.890 -0.844 -3.015
74 H GLY 14 H GLY 14 17.662 -1.234 -9.008
75 HA2 GLY 14 1HA GLY 14 19.960 -0.284 -10.295
76 HA3 GLY 14 2HA GLY 14 18.860 -1.488 -10.948
77 HA PRO 15 HA PRO 15 18.755 2.309 -13.643
78 HB2 PRO 15 1HB PRO 15 19.169 0.976 -15.971
79 HB3 PRO 15 2HB PRO 15 20.489 1.563 -14.953
80 HG2 PRO 15 1HG PRO 15 19.328 -1.190 -15.150
81 HG3 PRO 15 2HG PRO 15 21.029 -0.697 -15.054
82 HD2 PRO 15 1HD PRO 15 19.657 -1.621 -12.910
83 HD3 PRO 15 2HD PRO 15 20.948 -0.411 -12.768
84 H CYS 16 H CYS 16 17.591 -0.900 -14.702
85 HA CYS 16 HA CYS 16 14.858 -0.265 -14.499
86 HB2 CYS 16 1HB CYS 16 16.189 0.598 -16.948
87 HB3 CYS 16 2HB CYS 16 14.843 -0.493 -17.263
88 H LEU 17 H LEU 17 13.874 -2.158 -14.275
89 HA LEU 17 HA LEU 17 14.914 -4.476 -15.763
90 HB2 LEU 17 1HB LEU 17 15.657 -4.749 -13.519
91 HB3 LEU 17 2HB LEU 17 14.074 -4.314 -12.878
92 HG LEU 17 HG LEU 17 13.480 -6.525 -14.364
93 HD11 LEU 17 1HD1 LEU 17 15.922 -7.411 -12.932
94 HD12 LEU 17 2HD1 LEU 17 16.122 -6.654 -14.512
95 HD13 LEU 17 3HD1 LEU 17 15.123 -8.098 -14.347
96 HD21 LEU 17 3HD2 LEU 17 12.575 -6.928 -12.379
97 HD22 LEU 17 1HD2 LEU 17 13.659 -5.768 -11.609
98 HD23 LEU 17 2HD2 LEU 17 14.155 -7.451 -11.794
99 HA PRO 18 HA PRO 18 10.756 -4.954 -17.145
100 HB2 PRO 18 1HB PRO 18 10.891 -7.547 -17.939
101 HB3 PRO 18 2HB PRO 18 11.633 -6.224 -18.846
102 HG2 PRO 18 1HG PRO 18 12.895 -8.151 -16.934
103 HG3 PRO 18 2HG PRO 18 13.496 -7.573 -18.499
104 HD2 PRO 18 1HD PRO 18 14.382 -6.580 -16.142
105 HD3 PRO 18 2HD PRO 18 14.270 -5.591 -17.612
106 H ILE 19 H ILE 19 8.997 -5.203 -15.932
107 HA ILE 19 HA ILE 19 8.917 -6.510 -13.470
108 HB ILE 19 HB ILE 19 6.550 -5.936 -15.255
109 HG12 ILE 19 1HG1 ILE 19 7.876 -4.174 -13.182
110 HG13 ILE 19 2HG1 ILE 19 7.962 -3.940 -14.925
111 HG21 ILE 19 1HG2 ILE 19 6.804 -7.088 -12.643
112 HG22 ILE 19 2HG2 ILE 19 5.933 -5.558 -12.544
113 HG23 ILE 19 3HG2 ILE 19 5.355 -6.835 -13.615
114 HD11 ILE 19 3HD1 ILE 19 5.373 -3.863 -14.771
115 HD12 ILE 19 1HD1 ILE 19 5.671 -3.515 -13.068
116 HD13 ILE 19 2HD1 ILE 19 6.326 -2.451 -14.314
117 H VAL 20 H VAL 20 8.647 -7.770 -16.645
118 HA VAL 20 HA VAL 20 7.040 -10.018 -16.255
119 HB VAL 20 HB VAL 20 7.931 -9.178 -18.458
120 HG11 VAL 20 1HG1 VAL 20 10.087 -9.408 -19.088
121 HG12 VAL 20 2HG1 VAL 20 10.373 -9.392 -17.346
122 HG13 VAL 20 3HG1 VAL 20 10.293 -10.926 -18.214
123 HG21 VAL 20 3HG2 VAL 20 8.464 -12.113 -18.119
124 HG22 VAL 20 1HG2 VAL 20 6.837 -11.445 -17.991
125 HG23 VAL 20 2HG2 VAL 20 7.746 -11.271 -19.492
126 H ASP 21 H ASP 21 10.246 -9.338 -15.177
127 HA ASP 21 HA ASP 21 10.564 -12.135 -14.308
128 HB2 ASP 21 1HB ASP 21 12.330 -11.322 -15.845
129 HB3 ASP 21 2HB ASP 21 12.718 -10.046 -14.694
130 H LEU 22 H LEU 22 9.685 -9.156 -13.222
131 HA LEU 22 HA LEU 22 11.016 -8.612 -10.903
132 HB2 LEU 22 1HB LEU 22 8.674 -7.777 -12.060
133 HB3 LEU 22 2HB LEU 22 8.116 -8.509 -10.557
134 HG LEU 22 HG LEU 22 9.772 -7.010 -9.366
135 HD11 LEU 22 1HD1 LEU 22 9.811 -4.960 -11.340
136 HD12 LEU 22 2HD1 LEU 22 10.517 -6.422 -12.027
137 HD13 LEU 22 3HD1 LEU 22 11.167 -5.748 -10.533
138 HD21 LEU 22 3HD2 LEU 22 7.211 -6.657 -9.836
139 HD22 LEU 22 1HD2 LEU 22 7.800 -5.320 -10.824
140 HD23 LEU 22 2HD2 LEU 22 8.182 -5.380 -9.103
141 H LEU 23 H LEU 23 10.571 -9.101 -8.660
142 HA LEU 23 HA LEU 23 9.255 -11.676 -8.183
143 HB2 LEU 23 1HB LEU 23 11.442 -12.427 -8.309
144 HB3 LEU 23 2HB LEU 23 12.094 -10.953 -7.596
145 HG LEU 23 HG LEU 23 10.407 -12.710 -5.888
146 HD11 LEU 23 1HD1 LEU 23 12.989 -13.480 -7.089
147 HD12 LEU 23 2HD1 LEU 23 11.681 -14.482 -6.460
148 HD13 LEU 23 3HD1 LEU 23 12.827 -13.730 -5.351
149 HD21 LEU 23 3HD2 LEU 23 11.076 -10.927 -4.648
150 HD22 LEU 23 1HD2 LEU 23 12.547 -10.682 -5.589
151 HD23 LEU 23 2HD2 LEU 23 12.475 -11.970 -4.386
152 H CYS 24 H CYS 24 9.993 -8.498 -7.229
153 HA CYS 24 HA CYS 24 9.019 -8.930 -4.499
154 HB2 CYS 24 1HB CYS 24 9.808 -6.213 -5.377
155 HB3 CYS 24 2HB CYS 24 10.157 -7.058 -3.872
156 H ILE 25 H ILE 25 7.709 -6.836 -3.747
157 HA ILE 25 HA ILE 25 5.617 -6.324 -5.754
158 HB ILE 25 HB ILE 25 5.042 -6.705 -2.821
159 HG12 ILE 25 1HG1 ILE 25 5.935 -8.800 -3.816
160 HG13 ILE 25 2HG1 ILE 25 4.247 -8.940 -3.336
161 HG21 ILE 25 1HG2 ILE 25 2.752 -7.247 -4.127
162 HG22 ILE 25 2HG2 ILE 25 3.190 -5.642 -3.545
163 HG23 ILE 25 3HG2 ILE 25 3.470 -6.075 -5.231
164 HD11 ILE 25 3HD1 ILE 25 4.434 -8.079 -6.065
165 HD12 ILE 25 1HD1 ILE 25 5.373 -9.550 -5.813
166 HD13 ILE 25 2HD1 ILE 25 3.661 -9.512 -5.388
167 H VAL 26 H VAL 26 7.335 -5.219 -2.894
168 HA VAL 26 HA VAL 26 6.080 -2.596 -3.021
169 HB VAL 26 HB VAL 26 8.345 -3.363 -1.196
170 HG11 VAL 26 1HG1 VAL 26 6.920 -1.746 0.276
171 HG12 VAL 26 2HG1 VAL 26 7.987 -1.097 -0.970
172 HG13 VAL 26 3HG1 VAL 26 6.255 -1.233 -1.274
173 HG21 VAL 26 3HG2 VAL 26 5.488 -4.186 -1.089
174 HG22 VAL 26 1HG2 VAL 26 6.937 -5.061 -0.593
175 HG23 VAL 26 2HG2 VAL 26 6.298 -3.767 0.421
176 H HIS 27 H HIS 27 8.107 -3.839 -5.015
177 HA HIS 27 HA HIS 27 10.502 -2.424 -4.945
178 HB2 HIS 27 1HB HIS 27 10.804 -3.052 -7.200
179 HB3 HIS 27 2HB HIS 27 9.815 -4.333 -6.506
180 HD1 HIS 27 HD1 HIS 27 10.028 -3.101 -9.579
181 HD2 HIS 27 HD2 HIS 27 6.875 -2.908 -6.880
182 HE1 HIS 27 HE1 HIS 27 7.969 -2.735 -10.975
183 H VAL 28 H VAL 28 10.862 -0.938 -7.148
184 HA VAL 28 HA VAL 28 8.929 1.274 -6.910
185 HB VAL 28 HB VAL 28 11.923 1.366 -6.793
186 HG11 VAL 28 1HG1 VAL 28 11.504 2.854 -8.588
187 HG12 VAL 28 2HG1 VAL 28 10.092 3.540 -7.782
188 HG13 VAL 28 3HG1 VAL 28 11.709 3.854 -7.150
189 HG21 VAL 28 3HG2 VAL 28 9.850 2.934 -5.271
190 HG22 VAL 28 1HG2 VAL 28 10.479 1.374 -4.740
191 HG23 VAL 28 2HG2 VAL 28 11.564 2.756 -4.893
192 H THR 29 H THR 29 8.404 2.355 -8.766
193 HA THR 29 HA THR 29 9.708 1.477 -11.254
194 HB THR 29 HB THR 29 7.313 1.808 -12.263
195 HG1 THR 29 HG1 THR 29 5.727 1.069 -10.684
196 HG21 THR 29 3HG2 THR 29 7.997 -0.322 -12.604
197 HG22 THR 29 1HG2 THR 29 6.858 -0.678 -11.306
198 HG23 THR 29 2HG2 THR 29 8.577 -0.512 -10.950
199 H VAL 30 H VAL 30 10.445 3.789 -9.982
200 HA VAL 30 HA VAL 30 9.094 5.925 -11.491
201 HB VAL 30 HB VAL 30 10.981 6.309 -9.171
202 HG11 VAL 30 1HG1 VAL 30 10.863 8.390 -10.033
203 HG12 VAL 30 2HG1 VAL 30 9.363 8.061 -10.902
204 HG13 VAL 30 3HG1 VAL 30 9.322 8.434 -9.178
205 HG21 VAL 30 3HG2 VAL 30 8.248 5.361 -9.165
206 HG22 VAL 30 1HG2 VAL 30 9.394 5.503 -7.832
207 HG23 VAL 30 2HG2 VAL 30 8.406 6.888 -8.296
208 H GLY 31 H GLY 31 10.212 7.199 -12.894
209 HA2 GLY 31 1HA GLY 31 12.044 8.082 -14.024
210 HA3 GLY 31 2HA GLY 31 13.104 7.138 -12.988
211 H CYS 32 H CYS 32 11.010 4.904 -13.931
212 HA CYS 32 HA CYS 32 12.702 4.079 -16.177
213 HB2 CYS 32 1HB CYS 32 11.082 2.646 -14.135
214 HB3 CYS 32 2HB CYS 32 11.230 1.892 -15.719
215 H SER 33 H SER 33 11.293 2.488 -17.682
216 HA SER 33 HA SER 33 9.284 4.240 -18.860
217 HB2 SER 33 1HB SER 33 10.012 3.431 -20.822
218 HB3 SER 33 2HB SER 33 11.257 2.561 -19.925
219 HG SER 33 HG SER 33 9.012 1.616 -21.164
220 H GLY 34 H GLY 34 7.169 3.614 -19.321
221 HA2 GLY 34 1HA GLY 34 5.795 2.167 -17.410
222 HA3 GLY 34 2HA GLY 34 5.179 2.506 -19.020
223 H GLY 35 H GLY 35 6.113 0.100 -16.876
224 HA2 GLY 35 1HA GLY 35 5.384 -2.162 -17.571
225 HA3 GLY 35 2HA GLY 35 6.234 -1.866 -19.081
226 H PHE 36 H PHE 36 8.209 -0.452 -17.004
227 HA PHE 36 HA PHE 36 9.583 -2.926 -16.205
228 HB2 PHE 36 1HB PHE 36 10.952 -0.502 -17.387
229 HB3 PHE 36 2HB PHE 36 11.719 -2.011 -16.905
230 HD1 PHE 36 HD1 PHE 36 9.343 -0.517 -19.313
231 HD2 PHE 36 HD2 PHE 36 11.846 -3.831 -18.379
232 HE1 PHE 36 HE1 PHE 36 9.008 -1.405 -21.583
233 HE2 PHE 36 HE2 PHE 36 11.516 -4.723 -20.648
234 HZ PHE 36 HZ PHE 36 10.096 -3.510 -22.254
235 H GLY 37 H GLY 37 10.253 -2.950 -14.151
236 HA2 GLY 37 1HA GLY 37 10.352 -0.368 -12.715
237 HA3 GLY 37 2HA GLY 37 9.703 -1.834 -11.996
238 H CYS 38 H CYS 38 11.357 -1.088 -10.343
239 HA CYS 38 HA CYS 38 13.809 -2.605 -10.808
240 HB2 CYS 38 1HB CYS 38 13.950 0.139 -9.569
241 HB3 CYS 38 2HB CYS 38 15.277 -0.874 -10.129
242 H CYS 39 H CYS 39 14.663 -3.549 -8.983
243 HA CYS 39 HA CYS 39 13.094 -3.198 -6.513
244 HB2 CYS 39 1HB CYS 39 13.184 -5.470 -7.927
245 HB3 CYS 39 2HB CYS 39 14.633 -5.703 -6.955
246 H ARG 40 H ARG 40 14.333 -3.860 -4.511
247 HA ARG 40 HA ARG 40 16.636 -2.255 -4.266
248 HB2 ARG 40 1HB ARG 40 15.676 -4.440 -2.410
249 HB3 ARG 40 2HB ARG 40 16.802 -3.153 -2.001
250 HG2 ARG 40 1HG ARG 40 14.040 -2.528 -2.969
251 HG3 ARG 40 2HG ARG 40 14.349 -2.928 -1.278
252 HD2 ARG 40 1HD ARG 40 15.854 -0.781 -2.753
253 HD3 ARG 40 2HD ARG 40 14.357 -0.466 -1.875
254 HE ARG 40 HE ARG 40 15.711 -1.533 0.069
255 HH11 ARG 40 1HH1 ARG 40 16.933 0.578 -2.415
256 HH12 ARG 40 2HH1 ARG 40 18.188 1.238 -1.419
257 HH21 ARG 40 1HH2 ARG 40 17.359 -0.672 1.390
258 HH22 ARG 40 2HH2 ARG 40 18.430 0.526 0.745
259 H ILE 41 H ILE 41 18.461 -2.731 -5.322
260 HA ILE 41 HA ILE 41 19.354 -5.514 -5.478
261 HB ILE 41 HB ILE 41 20.428 -3.051 -6.859
262 HG12 ILE 41 1HG1 ILE 41 19.058 -5.353 -8.209
263 HG13 ILE 41 2HG1 ILE 41 18.099 -4.079 -7.464
264 HG21 ILE 41 1HG2 ILE 41 21.541 -4.892 -8.292
265 HG22 ILE 41 2HG2 ILE 41 22.258 -4.469 -6.738
266 HG23 ILE 41 3HG2 ILE 41 21.271 -5.922 -6.886
267 HD11 ILE 41 3HD1 ILE 41 19.647 -4.070 -9.940
268 HD12 ILE 41 1HD1 ILE 41 18.252 -3.102 -9.463
269 HD13 ILE 41 2HD1 ILE 41 19.870 -2.638 -8.936
270 H GLY 42 H GLY 42 20.480 -2.324 -4.405
271 HA2 GLY 42 1HA GLY 42 22.851 -3.535 -3.200
272 HA3 GLY 42 2HA GLY 42 22.515 -1.815 -3.331
Start of MODEL 20
1 H1 ASP 1 1H ASP 1 3.121 0.476 3.349
2 HA ASP 1 HA ASP 1 2.986 0.865 0.457
3 HB2 ASP 1 1HB ASP 1 1.455 2.849 0.826
4 HB3 ASP 1 2HB ASP 1 0.712 1.266 1.039
5 H ASP 2 H ASP 2 5.331 1.002 1.403
6 HA ASP 2 HA ASP 2 5.879 3.773 2.227
7 HB2 ASP 2 1HB ASP 2 6.699 1.724 3.597
8 HB3 ASP 2 2HB ASP 2 7.902 1.554 2.322
9 H THR 3 H THR 3 5.697 4.623 0.111
10 HA THR 3 HA THR 3 7.958 3.924 -1.647
11 HB THR 3 HB THR 3 5.493 5.163 -2.790
12 HG1 THR 3 HG1 THR 3 4.394 3.309 -2.752
13 HG21 THR 3 3HG2 THR 3 7.738 3.423 -3.741
14 HG22 THR 3 1HG2 THR 3 7.176 4.966 -4.382
15 HG23 THR 3 2HG2 THR 3 6.228 3.502 -4.647
16 HA PRO 4 HA PRO 4 8.573 8.300 -0.412
17 HB2 PRO 4 1HB PRO 4 11.283 8.160 -0.507
18 HB3 PRO 4 2HB PRO 4 10.344 7.663 0.906
19 HG2 PRO 4 1HG PRO 4 11.528 5.981 -1.269
20 HG3 PRO 4 2HG PRO 4 11.509 5.696 0.482
21 HD2 PRO 4 1HD PRO 4 9.790 4.469 -1.212
22 HD3 PRO 4 2HD PRO 4 9.350 4.891 0.455
23 H SER 5 H SER 5 10.462 9.786 -1.497
24 HA SER 5 HA SER 5 9.722 9.889 -4.282
25 HB2 SER 5 1HB SER 5 10.120 11.860 -2.575
26 HB3 SER 5 2HB SER 5 11.797 11.694 -3.098
27 HG SER 5 HG SER 5 11.040 11.967 -5.259
28 H SER 6 H SER 6 10.924 7.606 -4.247
29 HA SER 6 HA SER 6 13.721 8.053 -5.052
30 HB2 SER 6 1HB SER 6 12.307 5.660 -3.898
31 HB3 SER 6 2HB SER 6 13.825 5.479 -4.777
32 HG SER 6 HG SER 6 13.319 6.719 -2.321
33 H ARG 7 H ARG 7 14.519 6.913 -6.908
34 HA ARG 7 HA ARG 7 12.530 5.828 -8.745
35 HB2 ARG 7 1HB ARG 7 13.044 7.293 -10.538
36 HB3 ARG 7 2HB ARG 7 12.746 8.318 -9.141
37 HG2 ARG 7 1HG ARG 7 15.495 7.772 -9.124
38 HG3 ARG 7 2HG ARG 7 15.072 8.137 -10.798
39 HD2 ARG 7 1HD ARG 7 13.695 10.062 -9.456
40 HD3 ARG 7 2HD ARG 7 15.119 9.876 -8.434
41 HE ARG 7 HE ARG 7 16.402 10.810 -10.094
42 HH11 ARG 7 1HH1 ARG 7 13.259 10.007 -11.359
43 HH12 ARG 7 2HH1 ARG 7 13.506 10.840 -12.858
44 HH21 ARG 7 1HH2 ARG 7 16.739 11.910 -12.064
45 HH22 ARG 7 2HH2 ARG 7 15.486 11.921 -13.258
46 H CYS 8 H CYS 8 13.510 4.753 -10.613
47 HA CYS 8 HA CYS 8 15.507 2.975 -9.937
48 HB2 CYS 8 1HB CYS 8 14.669 3.940 -12.678
49 HB3 CYS 8 2HB CYS 8 15.713 2.550 -12.399
50 H GLY 9 H GLY 9 17.622 3.175 -9.633
51 HA2 GLY 9 1HA GLY 9 19.812 3.823 -10.032
52 HA3 GLY 9 2HA GLY 9 19.239 4.829 -11.354
53 H SER 10 H SER 10 18.283 4.889 -7.943
54 HA SER 10 HA SER 10 19.477 7.571 -7.729
55 HB2 SER 10 1HB SER 10 17.137 7.972 -8.011
56 HB3 SER 10 2HB SER 10 16.715 6.694 -6.871
57 HG SER 10 HG SER 10 16.590 8.424 -5.616
58 H GLY 11 H GLY 11 18.354 4.668 -6.068
59 HA2 GLY 11 1HA GLY 11 20.347 5.196 -3.973
60 HA3 GLY 11 2HA GLY 11 18.692 4.837 -3.504
61 H GLY 12 H GLY 12 17.849 2.738 -3.887
62 HA2 GLY 12 1HA GLY 12 19.973 0.706 -4.102
63 HA3 GLY 12 2HA GLY 12 18.452 0.492 -3.248
64 H TRP 13 H TRP 13 17.437 2.022 -5.858
65 HA TRP 13 HA TRP 13 16.665 -0.441 -7.180
66 HB2 TRP 13 1HB TRP 13 15.904 2.323 -8.091
67 HB3 TRP 13 2HB TRP 13 15.014 0.815 -8.283
68 HD1 TRP 13 HD1 TRP 13 15.382 3.761 -5.991
69 HE1 TRP 13 HE1 TRP 13 13.793 3.503 -3.983
70 HE3 TRP 13 HE3 TRP 13 13.971 -1.102 -6.693
71 HZ2 TRP 13 HZ2 TRP 13 12.159 1.502 -2.846
72 HZ3 TRP 13 HZ3 TRP 13 12.392 -2.113 -5.100
73 HH2 TRP 13 HH2 TRP 13 11.506 -0.837 -3.217
74 H GLY 14 H GLY 14 17.493 -1.208 -9.026
75 HA2 GLY 14 1HA GLY 14 19.874 -0.169 -10.108
76 HA3 GLY 14 2HA GLY 14 18.876 -1.413 -10.846
77 HA PRO 15 HA PRO 15 18.814 2.362 -13.557
78 HB2 PRO 15 1HB PRO 15 19.356 1.019 -15.853
79 HB3 PRO 15 2HB PRO 15 20.618 1.629 -14.777
80 HG2 PRO 15 1HG PRO 15 19.502 -1.139 -15.010
81 HG3 PRO 15 2HG PRO 15 21.190 -0.624 -14.837
82 HD2 PRO 15 1HD PRO 15 19.729 -1.552 -12.755
83 HD3 PRO 15 2HD PRO 15 20.996 -0.324 -12.560
84 H CYS 16 H CYS 16 17.738 -0.871 -14.636
85 HA CYS 16 HA CYS 16 14.993 -0.274 -14.570
86 HB2 CYS 16 1HB CYS 16 16.421 0.610 -16.953
87 HB3 CYS 16 2HB CYS 16 15.117 -0.510 -17.333
88 H LEU 17 H LEU 17 14.028 -2.180 -14.383
89 HA LEU 17 HA LEU 17 15.169 -4.487 -15.814
90 HB2 LEU 17 1HB LEU 17 15.810 -4.745 -13.539
91 HB3 LEU 17 2HB LEU 17 14.194 -4.328 -12.972
92 HG LEU 17 HG LEU 17 13.699 -6.551 -14.478
93 HD11 LEU 17 1HD1 LEU 17 16.320 -6.674 -14.541
94 HD12 LEU 17 2HD1 LEU 17 15.349 -8.128 -14.314
95 HD13 LEU 17 3HD1 LEU 17 16.110 -7.351 -12.926
96 HD21 LEU 17 3HD2 LEU 17 13.774 -5.797 -11.702
97 HD22 LEU 17 1HD2 LEU 17 14.223 -7.491 -11.898
98 HD23 LEU 17 2HD2 LEU 17 12.685 -6.908 -12.534
99 HA PRO 18 HA PRO 18 11.088 -5.030 -17.388
100 HB2 PRO 18 1HB PRO 18 11.297 -7.623 -18.163
101 HB3 PRO 18 2HB PRO 18 12.062 -6.294 -19.041
102 HG2 PRO 18 1HG PRO 18 13.259 -8.196 -17.063
103 HG3 PRO 18 2HG PRO 18 13.925 -7.614 -18.601
104 HD2 PRO 18 1HD PRO 18 14.685 -6.600 -16.208
105 HD3 PRO 18 2HD PRO 18 14.628 -5.619 -17.686
106 H ILE 19 H ILE 19 9.276 -5.301 -16.260
107 HA ILE 19 HA ILE 19 9.096 -6.594 -13.798
108 HB ILE 19 HB ILE 19 6.812 -6.073 -15.703
109 HG12 ILE 19 1HG1 ILE 19 7.996 -4.278 -13.573
110 HG13 ILE 19 2HG1 ILE 19 8.172 -4.052 -15.310
111 HG21 ILE 19 1HG2 ILE 19 6.044 -5.694 -13.034
112 HG22 ILE 19 2HG2 ILE 19 5.554 -6.991 -14.123
113 HG23 ILE 19 3HG2 ILE 19 6.954 -7.205 -13.072
114 HD11 ILE 19 3HD1 ILE 19 6.290 -2.903 -15.366
115 HD12 ILE 19 1HD1 ILE 19 5.404 -4.273 -14.696
116 HD13 ILE 19 2HD1 ILE 19 6.142 -3.087 -13.618
117 H VAL 20 H VAL 20 9.000 -7.879 -16.974
118 HA VAL 20 HA VAL 20 7.419 -10.155 -16.642
119 HB VAL 20 HB VAL 20 8.396 -9.312 -18.808
120 HG11 VAL 20 1HG1 VAL 20 10.583 -9.486 -19.323
121 HG12 VAL 20 2HG1 VAL 20 10.789 -9.496 -17.570
122 HG13 VAL 20 3HG1 VAL 20 10.772 -11.015 -18.466
123 HG21 VAL 20 3HG2 VAL 20 8.067 -11.337 -19.799
124 HG22 VAL 20 1HG2 VAL 20 9.077 -12.195 -18.635
125 HG23 VAL 20 2HG2 VAL 20 7.438 -11.715 -18.195
126 H ASP 21 H ASP 21 10.558 -9.408 -15.423
127 HA ASP 21 HA ASP 21 10.887 -12.193 -14.519
128 HB2 ASP 21 1HB ASP 21 12.704 -11.335 -15.985
129 HB3 ASP 21 2HB ASP 21 13.026 -10.072 -14.801
130 H LEU 22 H LEU 22 9.902 -9.226 -13.497
131 HA LEU 22 HA LEU 22 11.116 -8.636 -11.125
132 HB2 LEU 22 1HB LEU 22 8.813 -7.858 -12.392
133 HB3 LEU 22 2HB LEU 22 8.200 -8.594 -10.912
134 HG LEU 22 HG LEU 22 9.790 -7.053 -9.664
135 HD11 LEU 22 1HD1 LEU 22 9.767 -5.076 -11.776
136 HD12 LEU 22 2HD1 LEU 22 10.706 -6.500 -12.220
137 HD13 LEU 22 3HD1 LEU 22 11.093 -5.614 -10.745
138 HD21 LEU 22 3HD2 LEU 22 7.232 -6.786 -10.195
139 HD22 LEU 22 1HD2 LEU 22 7.797 -5.435 -11.177
140 HD23 LEU 22 2HD2 LEU 22 8.143 -5.473 -9.448
141 H LEU 23 H LEU 23 10.579 -9.118 -8.899
142 HA LEU 23 HA LEU 23 9.300 -11.719 -8.462
143 HB2 LEU 23 1HB LEU 23 11.511 -12.414 -8.487
144 HB3 LEU 23 2HB LEU 23 12.090 -10.925 -7.742
145 HG LEU 23 HG LEU 23 10.361 -12.724 -6.120
146 HD11 LEU 23 1HD1 LEU 23 12.178 -14.146 -5.505
147 HD12 LEU 23 2HD1 LEU 23 13.300 -13.243 -6.522
148 HD13 LEU 23 3HD1 LEU 23 12.016 -14.199 -7.261
149 HD21 LEU 23 3HD2 LEU 23 10.929 -10.923 -4.853
150 HD22 LEU 23 1HD2 LEU 23 12.444 -10.653 -5.714
151 HD23 LEU 23 2HD2 LEU 23 12.329 -11.940 -4.514
152 H CYS 24 H CYS 24 9.912 -8.517 -7.507
153 HA CYS 24 HA CYS 24 8.803 -8.955 -4.827
154 HB2 CYS 24 1HB CYS 24 9.622 -6.232 -5.641
155 HB3 CYS 24 2HB CYS 24 9.910 -7.092 -4.133
156 H ILE 25 H ILE 25 7.397 -6.951 -4.124
157 HA ILE 25 HA ILE 25 5.437 -6.421 -6.259
158 HB ILE 25 HB ILE 25 4.778 -6.908 -3.353
159 HG12 ILE 25 1HG1 ILE 25 4.292 -8.695 -5.746
160 HG13 ILE 25 2HG1 ILE 25 5.542 -8.956 -4.535
161 HG21 ILE 25 1HG2 ILE 25 3.262 -5.364 -4.517
162 HG22 ILE 25 2HG2 ILE 25 2.976 -6.592 -5.750
163 HG23 ILE 25 3HG2 ILE 25 2.465 -6.877 -4.086
164 HD11 ILE 25 3HD1 ILE 25 2.847 -9.806 -4.508
165 HD12 ILE 25 1HD1 ILE 25 4.102 -10.082 -3.300
166 HD13 ILE 25 2HD1 ILE 25 3.068 -8.657 -3.189
167 H VAL 26 H VAL 26 6.995 -5.294 -3.318
168 HA VAL 26 HA VAL 26 5.724 -2.683 -3.514
169 HB VAL 26 HB VAL 26 7.903 -3.425 -1.577
170 HG11 VAL 26 1HG1 VAL 26 5.790 -1.320 -1.756
171 HG12 VAL 26 2HG1 VAL 26 6.404 -1.818 -0.178
172 HG13 VAL 26 3HG1 VAL 26 7.507 -1.159 -1.387
173 HG21 VAL 26 3HG2 VAL 26 6.314 -5.178 -1.312
174 HG22 VAL 26 1HG2 VAL 26 6.037 -4.028 -0.004
175 HG23 VAL 26 2HG2 VAL 26 4.961 -4.051 -1.401
176 H HIS 27 H HIS 27 7.859 -3.912 -5.401
177 HA HIS 27 HA HIS 27 10.236 -2.476 -5.216
178 HB2 HIS 27 1HB HIS 27 10.651 -3.098 -7.457
179 HB3 HIS 27 2HB HIS 27 9.651 -4.393 -6.804
180 HD1 HIS 27 HD1 HIS 27 9.980 -3.191 -9.870
181 HD2 HIS 27 HD2 HIS 27 6.712 -2.990 -7.312
182 HE1 HIS 27 HE1 HIS 27 7.982 -2.854 -11.358
183 H VAL 28 H VAL 28 10.691 -0.990 -7.401
184 HA VAL 28 HA VAL 28 8.738 1.212 -7.248
185 HB VAL 28 HB VAL 28 11.723 1.306 -7.016
186 HG11 VAL 28 1HG1 VAL 28 9.945 3.462 -8.130
187 HG12 VAL 28 2HG1 VAL 28 11.528 3.792 -7.423
188 HG13 VAL 28 3HG1 VAL 28 11.396 2.765 -8.850
189 HG21 VAL 28 3HG2 VAL 28 9.555 2.861 -5.610
190 HG22 VAL 28 1HG2 VAL 28 10.246 1.352 -5.014
191 HG23 VAL 28 2HG2 VAL 28 11.263 2.783 -5.178
192 H THR 29 H THR 29 8.254 2.267 -9.126
193 HA THR 29 HA THR 29 9.659 1.406 -11.565
194 HB THR 29 HB THR 29 7.283 1.686 -12.649
195 HG1 THR 29 HG1 THR 29 5.709 1.818 -11.252
196 HG21 THR 29 3HG2 THR 29 6.875 -0.820 -11.726
197 HG22 THR 29 1HG2 THR 29 8.577 -0.609 -11.318
198 HG23 THR 29 2HG2 THR 29 8.040 -0.420 -12.987
199 H VAL 30 H VAL 30 10.295 3.740 -10.277
200 HA VAL 30 HA VAL 30 8.957 5.833 -11.857
201 HB VAL 30 HB VAL 30 10.685 6.246 -9.418
202 HG11 VAL 30 1HG1 VAL 30 9.857 8.474 -9.415
203 HG12 VAL 30 2HG1 VAL 30 10.394 8.130 -11.061
204 HG13 VAL 30 3HG1 VAL 30 8.674 8.105 -10.670
205 HG21 VAL 30 3HG2 VAL 30 8.020 6.844 -8.801
206 HG22 VAL 30 1HG2 VAL 30 7.986 5.274 -9.603
207 HG23 VAL 30 2HG2 VAL 30 8.993 5.513 -8.175
208 H GLY 31 H GLY 31 10.110 7.120 -13.216
209 HA2 GLY 31 1HA GLY 31 11.975 8.052 -14.250
210 HA3 GLY 31 2HA GLY 31 13.004 7.148 -13.149
211 H CYS 32 H CYS 32 11.014 4.857 -14.200
212 HA CYS 32 HA CYS 32 12.859 4.058 -16.333
213 HB2 CYS 32 1HB CYS 32 11.179 2.603 -14.363
214 HB3 CYS 32 2HB CYS 32 11.392 1.844 -15.937
215 H SER 33 H SER 33 11.570 2.413 -17.898
216 HA SER 33 HA SER 33 9.605 4.113 -19.216
217 HB2 SER 33 1HB SER 33 11.664 2.771 -20.268
218 HB3 SER 33 2HB SER 33 10.437 1.511 -20.402
219 HG SER 33 HG SER 33 10.466 4.084 -21.562
220 H GLY 34 H GLY 34 7.531 3.441 -19.795
221 HA2 GLY 34 1HA GLY 34 6.072 1.998 -17.941
222 HA3 GLY 34 2HA GLY 34 5.543 2.310 -19.588
223 H GLY 35 H GLY 35 6.334 -0.061 -17.370
224 HA2 GLY 35 1HA GLY 35 5.705 -2.340 -18.062
225 HA3 GLY 35 2HA GLY 35 6.611 -2.049 -19.540
226 H PHE 36 H PHE 36 8.467 -0.581 -17.382
227 HA PHE 36 HA PHE 36 9.854 -3.025 -16.517
228 HB2 PHE 36 1HB PHE 36 11.232 -0.573 -17.630
229 HB3 PHE 36 2HB PHE 36 11.998 -2.076 -17.126
230 HD1 PHE 36 HD1 PHE 36 9.734 -0.578 -19.633
231 HD2 PHE 36 HD2 PHE 36 12.187 -3.898 -18.598
232 HE1 PHE 36 HE1 PHE 36 9.511 -1.452 -21.922
233 HE2 PHE 36 HE2 PHE 36 11.969 -4.777 -20.886
234 HZ PHE 36 HZ PHE 36 10.628 -3.554 -22.551
235 H GLY 37 H GLY 37 10.413 -3.035 -14.431
236 HA2 GLY 37 1HA GLY 37 10.406 -0.449 -12.999
237 HA3 GLY 37 2HA GLY 37 9.744 -1.923 -12.309
238 H CYS 38 H CYS 38 11.308 -1.140 -10.581
239 HA CYS 38 HA CYS 38 13.796 -2.632 -10.915
240 HB2 CYS 38 1HB CYS 38 13.859 0.123 -9.698
241 HB3 CYS 38 2HB CYS 38 15.215 -0.880 -10.201
242 H CYS 39 H CYS 39 14.579 -3.538 -9.038
243 HA CYS 39 HA CYS 39 12.889 -3.179 -6.650
244 HB2 CYS 39 1HB CYS 39 13.053 -5.464 -8.017
245 HB3 CYS 39 2HB CYS 39 14.485 -5.668 -7.014
246 H ARG 40 H ARG 40 14.048 -3.819 -4.585
247 HA ARG 40 HA ARG 40 16.304 -2.167 -4.243
248 HB2 ARG 40 1HB ARG 40 15.332 -4.370 -2.416
249 HB3 ARG 40 2HB ARG 40 16.377 -3.028 -1.969
250 HG2 ARG 40 1HG ARG 40 13.659 -2.505 -3.092
251 HG3 ARG 40 2HG ARG 40 13.858 -2.936 -1.393
252 HD2 ARG 40 1HD ARG 40 15.360 -0.691 -2.722
253 HD3 ARG 40 2HD ARG 40 13.819 -0.469 -1.895
254 HE ARG 40 HE ARG 40 15.144 -1.549 0.064
255 HH11 ARG 40 1HH1 ARG 40 16.359 0.705 -2.294
256 HH12 ARG 40 2HH1 ARG 40 17.544 1.384 -1.227
257 HH21 ARG 40 1HH2 ARG 40 16.699 -0.665 1.478
258 HH22 ARG 40 2HH2 ARG 40 17.737 0.603 0.919
259 H ILE 41 H ILE 41 18.179 -2.613 -5.226
260 HA ILE 41 HA ILE 41 19.135 -5.375 -5.333
261 HB ILE 41 HB ILE 41 20.218 -2.887 -6.660
262 HG12 ILE 41 1HG1 ILE 41 18.675 -5.238 -7.778
263 HG13 ILE 41 2HG1 ILE 41 18.053 -3.606 -7.562
264 HG21 ILE 41 1HG2 ILE 41 21.995 -4.477 -6.219
265 HG22 ILE 41 2HG2 ILE 41 21.046 -5.772 -6.946
266 HG23 ILE 41 3HG2 ILE 41 21.629 -4.440 -7.943
267 HD11 ILE 41 3HD1 ILE 41 20.330 -3.256 -9.086
268 HD12 ILE 41 1HD1 ILE 41 19.601 -4.727 -9.727
269 HD13 ILE 41 2HD1 ILE 41 18.663 -3.235 -9.659
270 H GLY 42 H GLY 42 20.350 -2.149 -4.413
271 HA2 GLY 42 1HA GLY 42 21.880 -1.515 -2.823
272 HA3 GLY 42 2HA GLY 42 21.549 -3.047 -2.026
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