Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
15262 | 1xv3 RC | 6388 | cing | 1-original | 4 | MR format | nomenclature mapping |
Start of MODEL 1
1 1H HIS 1 HT1 HIS 1 17.834 17.048 4.867
2 2H HIS 1 HT2 HIS 1 16.450 18.025 4.738
3 3H HIS 1 HT3 HIS 1 17.656 18.400 5.875
4 HA HIS 1 HA HIS 1 17.931 18.530 2.911
5 1HB HIS 1 HB2 HIS 1 16.552 20.236 4.286
6 2HB HIS 1 HB1 HIS 1 18.097 20.730 4.980
7 HD1 HIS 1 HD1 HIS 1 16.262 20.568 1.675
8 HD2 HIS 1 HD2 HIS 1 19.725 22.258 3.268
9 HE1 HIS 1 HE1 HIS 1 17.173 22.136 -0.093
10 H SER 2 HN SER 2 20.051 19.048 2.188
11 HA SER 2 HA SER 2 22.405 18.925 2.221
12 1HB SER 2 HB2 SER 2 21.686 21.026 3.592
13 2HB SER 2 HB1 SER 2 22.176 20.086 4.999
14 HG SER 2 HG SER 2 24.223 20.133 4.334
15 H SER 3 HN SER 3 21.770 16.472 2.568
16 HA SER 3 HA SER 3 22.450 15.375 5.214
17 1HB SER 3 HB2 SER 3 21.668 14.272 2.511
18 2HB SER 3 HB1 SER 3 22.140 13.210 3.835
19 HG SER 3 HG SER 3 19.783 14.104 3.439
20 H GLY 4 HN GLY 4 24.195 13.717 5.408
21 1HA GLY 4 HA2 GLY 4 26.661 14.642 4.116
22 2HA GLY 4 HA1 GLY 4 26.553 13.432 5.393
23 H TYR 5 HN TYR 5 26.186 11.237 4.817
24 HA TYR 5 HA TYR 5 25.783 10.482 2.002
25 1HB TYR 5 HB2 TYR 5 28.310 11.145 2.699
26 2HB TYR 5 HB1 TYR 5 28.318 9.449 3.181
27 HD1 TYR 5 HD1 TYR 5 27.911 7.663 1.525
28 HD2 TYR 5 HD2 TYR 5 28.125 11.796 0.373
29 HE1 TYR 5 HE1 TYR 5 28.165 6.989 -0.846
30 HE2 TYR 5 HE2 TYR 5 28.379 11.122 -1.999
31 HH TYR 5 HH TYR 5 29.282 8.948 -3.206
32 H THR 6 HN THR 6 24.802 8.482 1.943
33 HA THR 6 HA THR 6 25.242 6.538 4.152
34 HB THR 6 HB THR 6 22.622 7.854 3.374
35 HG1 THR 6 HG1 THR 6 22.936 8.836 5.185
36 1HG2 THR 6 HG21 THR 6 21.679 6.229 5.141
37 2HG2 THR 6 HG22 THR 6 23.138 5.279 4.861
38 3HG2 THR 6 HG23 THR 6 22.009 5.574 3.538
39 H ARG 7 HN ARG 7 25.263 4.453 3.327
40 HA ARG 7 HA ARG 7 23.766 3.814 0.859
41 1HB ARG 7 HB2 ARG 7 26.333 4.758 0.688
42 2HB ARG 7 HB1 ARG 7 26.612 3.019 0.769
43 1HG ARG 7 HG2 ARG 7 26.350 3.457 -1.544
44 2HG ARG 7 HG1 ARG 7 24.781 2.826 -1.041
45 1HD ARG 7 HD2 ARG 7 23.727 4.816 -1.434
46 2HD ARG 7 HD1 ARG 7 25.066 5.761 -0.753
47 HE ARG 7 HE ARG 7 25.026 4.639 -3.526
48 1HH1 ARG 7 HH21 ARG 7 24.842 7.582 -3.157
49 2HH1 ARG 7 HH22 ARG 7 26.491 8.091 -3.314
50 1HH2 ARG 7 HH11 ARG 7 27.792 4.903 -2.833
51 2HH2 ARG 7 HH12 ARG 7 28.165 6.569 -3.130
52 HA PRO 8 HA PRO 8 24.174 0.353 3.939
53 1HB PRO 8 HB2 PRO 8 21.493 -0.045 4.295
54 2HB PRO 8 HB1 PRO 8 22.431 1.116 5.255
55 1HG PRO 8 HG2 PRO 8 20.593 1.594 2.975
56 2HG PRO 8 HG1 PRO 8 20.888 2.578 4.415
57 1HD PRO 8 HD2 PRO 8 21.929 3.105 1.917
58 2HD PRO 8 HD1 PRO 8 22.617 3.693 3.444
59 H LEU 9 HN LEU 9 23.476 -1.907 3.583
60 HA LEU 9 HA LEU 9 23.555 -2.755 0.859
61 1HB LEU 9 HB2 LEU 9 22.711 -4.062 3.459
62 2HB LEU 9 HB1 LEU 9 22.816 -4.960 1.945
63 HG LEU 9 HG LEU 9 25.156 -3.291 2.810
64 1HD1 LEU 9 HD11 LEU 9 26.045 -5.208 4.078
65 2HD1 LEU 9 HD12 LEU 9 24.540 -6.089 3.811
66 3HD1 LEU 9 HD13 LEU 9 24.543 -4.627 4.798
67 1HD2 LEU 9 HD21 LEU 9 24.936 -5.970 1.401
68 2HD2 LEU 9 HD22 LEU 9 26.387 -4.980 1.558
69 3HD2 LEU 9 HD23 LEU 9 25.039 -4.417 0.571
70 H ARG 10 HN ARG 10 21.886 -3.430 -0.564
71 HA ARG 10 HA ARG 10 19.069 -3.098 0.368
72 1HB ARG 10 HB2 ARG 10 20.292 -1.106 -0.883
73 2HB ARG 10 HB1 ARG 10 19.935 -2.073 -2.314
74 1HG ARG 10 HG2 ARG 10 17.524 -2.207 -1.215
75 2HG ARG 10 HG1 ARG 10 18.049 -0.723 -0.419
76 1HD ARG 10 HD2 ARG 10 18.580 0.274 -2.630
77 2HD ARG 10 HD1 ARG 10 18.010 -1.211 -3.421
78 HE ARG 10 HE ARG 10 15.782 -0.772 -2.286
79 1HH1 ARG 10 HH21 ARG 10 17.150 1.599 -0.752
80 2HH1 ARG 10 HH22 ARG 10 16.405 2.937 -1.560
81 1HH2 ARG 10 HH11 ARG 10 15.219 1.017 -4.205
82 2HH2 ARG 10 HH12 ARG 10 15.309 2.607 -3.523
83 H LYS 11 HN LYS 11 17.685 -4.626 -0.485
84 HA LYS 11 HA LYS 11 18.767 -6.879 -1.965
85 1HB LYS 11 HB2 LYS 11 16.236 -6.029 -0.661
86 2HB LYS 11 HB1 LYS 11 16.065 -7.210 -1.959
87 1HG LYS 11 HG2 LYS 11 17.020 -8.866 -0.736
88 2HG LYS 11 HG1 LYS 11 18.283 -7.801 -0.118
89 1HD LYS 11 HD2 LYS 11 17.024 -8.350 1.802
90 2HD LYS 11 HD1 LYS 11 16.416 -6.760 1.342
91 1HE LYS 11 HE2 LYS 11 14.338 -7.578 0.897
92 2HE LYS 11 HE1 LYS 11 14.993 -8.964 0.004
93 1HZ LYS 11 HZ1 LYS 11 15.080 -8.704 2.965
94 2HZ LYS 11 HZ2 LYS 11 15.522 -10.062 2.042
95 3HZ LYS 11 HZ3 LYS 11 13.895 -9.584 2.130
96 HA PRO 12 HA PRO 12 17.716 -5.610 -6.044
97 1HB PRO 12 HB2 PRO 12 17.088 -8.002 -7.213
98 2HB PRO 12 HB1 PRO 12 18.744 -7.550 -6.766
99 1HG PRO 12 HG2 PRO 12 16.862 -9.395 -5.424
100 2HG PRO 12 HG1 PRO 12 18.627 -9.450 -5.521
101 1HD PRO 12 HD2 PRO 12 17.151 -8.583 -3.330
102 2HD PRO 12 HD1 PRO 12 18.870 -8.247 -3.616
103 H SER 13 HN SER 13 15.842 -6.518 -7.830
104 HA SER 13 HA SER 13 13.396 -5.322 -7.019
105 1HB SER 13 HB2 SER 13 14.182 -7.266 -9.198
106 2HB SER 13 HB1 SER 13 12.554 -6.604 -9.086
107 HG SER 13 HG SER 13 13.845 -5.309 -10.418
108 H ARG 14 HN ARG 14 11.736 -6.106 -5.787
109 HA ARG 14 HA ARG 14 11.849 -8.819 -4.702
110 1HB ARG 14 HB2 ARG 14 10.035 -6.415 -4.425
111 2HB ARG 14 HB1 ARG 14 9.669 -7.941 -3.621
112 1HG ARG 14 HG2 ARG 14 12.381 -6.656 -3.333
113 2HG ARG 14 HG1 ARG 14 11.035 -6.172 -2.303
114 1HD ARG 14 HD2 ARG 14 11.274 -8.028 -1.025
115 2HD ARG 14 HD1 ARG 14 11.224 -9.076 -2.455
116 HE ARG 14 HE ARG 14 13.691 -7.764 -1.394
117 1HH1 ARG 14 HH21 ARG 14 13.476 -10.722 -1.284
118 2HH1 ARG 14 HH22 ARG 14 14.287 -11.221 -2.731
119 1HH2 ARG 14 HH11 ARG 14 14.154 -8.073 -4.201
120 2HH2 ARG 14 HH12 ARG 14 14.677 -9.714 -4.386
121 HA PRO 15 HA PRO 15 9.120 -10.711 -7.603
122 1HB PRO 15 HB2 PRO 15 7.986 -12.632 -6.018
123 2HB PRO 15 HB1 PRO 15 9.655 -12.730 -6.611
124 1HG PRO 15 HG2 PRO 15 8.641 -11.921 -3.935
125 2HG PRO 15 HG1 PRO 15 10.084 -12.854 -4.362
126 1HD PRO 15 HD2 PRO 15 10.130 -10.211 -3.667
127 2HD PRO 15 HD1 PRO 15 11.348 -10.985 -4.704
128 H ILE 16 HN ILE 16 6.816 -10.975 -8.068
129 HA ILE 16 HA ILE 16 5.160 -8.872 -6.964
130 HB ILE 16 HB ILE 16 3.487 -9.774 -8.522
131 1HG1 ILE 16 HG12 ILE 16 4.742 -11.888 -9.818
132 2HG1 ILE 16 HG11 ILE 16 5.053 -12.219 -8.115
133 1HG2 ILE 16 HG21 ILE 16 5.704 -8.573 -9.268
134 2HG2 ILE 16 HG22 ILE 16 4.653 -9.299 -10.484
135 3HG2 ILE 16 HG23 ILE 16 6.103 -10.150 -9.950
136 1HD1 ILE 16 HD11 ILE 16 2.367 -11.795 -9.447
137 2HD1 ILE 16 HD12 ILE 16 2.582 -11.822 -7.697
138 3HD1 ILE 16 HD13 ILE 16 2.952 -13.257 -8.653
139 H PHE 17 HN PHE 17 2.946 -9.317 -6.046
140 HA PHE 17 HA PHE 17 2.447 -11.871 -4.711
141 1HB PHE 17 HB2 PHE 17 4.283 -10.644 -3.408
142 2HB PHE 17 HB1 PHE 17 3.060 -9.441 -3.005
143 HD1 PHE 17 HD1 PHE 17 1.648 -9.775 -1.158
144 HD2 PHE 17 HD2 PHE 17 3.702 -13.132 -2.884
145 HE1 PHE 17 HE1 PHE 17 0.834 -11.220 0.684
146 HE2 PHE 17 HE2 PHE 17 2.886 -14.577 -1.040
147 HZ PHE 17 HZ PHE 17 1.453 -13.621 0.744
148 H ILE 18 HN ILE 18 0.395 -11.740 -3.413
149 HA ILE 18 HA ILE 18 -1.640 -10.192 -4.759
150 HB ILE 18 HB ILE 18 -3.126 -11.243 -3.128
151 1HG1 ILE 18 HG12 ILE 18 -0.582 -11.978 -1.643
152 2HG1 ILE 18 HG11 ILE 18 -1.772 -10.793 -1.112
153 1HG2 ILE 18 HG21 ILE 18 -1.794 -12.605 -4.945
154 2HG2 ILE 18 HG22 ILE 18 -2.755 -13.460 -3.738
155 3HG2 ILE 18 HG23 ILE 18 -1.007 -13.329 -3.542
156 1HD1 ILE 18 HD11 ILE 18 -3.496 -12.678 -1.222
157 2HD1 ILE 18 HD12 ILE 18 -2.297 -12.801 0.067
158 3HD1 ILE 18 HD13 ILE 18 -2.131 -13.783 -1.389
159 H ARG 19 HN ARG 19 -3.162 -8.729 -3.474
160 HA ARG 19 HA ARG 19 -1.563 -6.695 -2.069
161 1HB ARG 19 HB2 ARG 19 -3.411 -5.272 -2.553
162 2HB ARG 19 HB1 ARG 19 -3.291 -6.340 -3.948
163 1HG ARG 19 HG2 ARG 19 -5.278 -7.369 -3.493
164 2HG ARG 19 HG1 ARG 19 -5.008 -7.346 -1.754
165 1HD ARG 19 HD2 ARG 19 -6.331 -5.523 -1.548
166 2HD ARG 19 HD1 ARG 19 -5.333 -4.635 -2.719
167 HE ARG 19 HE ARG 19 -7.408 -6.598 -3.626
168 1HH1 ARG 19 HH21 ARG 19 -5.265 -4.463 -4.907
169 2HH1 ARG 19 HH22 ARG 19 -6.419 -3.470 -5.732
170 1HH2 ARG 19 HH11 ARG 19 -9.167 -4.927 -4.179
171 2HH2 ARG 19 HH12 ARG 19 -8.638 -3.739 -5.322
172 HA PRO 20 HA PRO 20 -2.930 -7.639 1.993
173 1HB PRO 20 HB2 PRO 20 -3.399 -5.149 3.043
174 2HB PRO 20 HB1 PRO 20 -1.770 -5.798 2.756
175 1HG PRO 20 HG2 PRO 20 -3.354 -3.869 1.141
176 2HG PRO 20 HG1 PRO 20 -1.617 -3.905 1.473
177 1HD PRO 20 HD2 PRO 20 -2.716 -4.741 -0.877
178 2HD PRO 20 HD1 PRO 20 -1.190 -5.367 -0.229
179 H ILE 21 HN ILE 21 -4.786 -7.311 3.552
180 HA ILE 21 HA ILE 21 -7.329 -7.610 2.212
181 HB ILE 21 HB ILE 21 -6.161 -7.715 4.948
182 1HG1 ILE 21 HG12 ILE 21 -6.461 -9.665 3.394
183 2HG1 ILE 21 HG11 ILE 21 -7.235 -9.870 4.960
184 1HG2 ILE 21 HG21 ILE 21 -9.150 -7.403 4.527
185 2HG2 ILE 21 HG22 ILE 21 -8.103 -6.250 5.354
186 3HG2 ILE 21 HG23 ILE 21 -8.367 -7.852 6.041
187 1HD1 ILE 21 HD11 ILE 21 -8.475 -10.197 2.502
188 2HD1 ILE 21 HD12 ILE 21 -8.993 -8.587 3.002
189 3HD1 ILE 21 HD13 ILE 21 -9.301 -9.975 4.044
190 H GLY 22 HN GLY 22 -9.254 -6.302 2.837
191 1HA GLY 22 HA2 GLY 22 -10.174 -4.184 3.699
192 2HA GLY 22 HA1 GLY 22 -8.616 -3.436 3.362
193 H CYS 23 HN CYS 23 -7.964 -3.818 0.912
194 HA CYS 23 HA CYS 23 -9.919 -2.418 -0.704
195 1HB CYS 23 HB2 CYS 23 -7.266 -3.758 -1.155
196 2HB CYS 23 HB1 CYS 23 -8.151 -3.070 -2.503
197 H ASP 24 HN ASP 24 -9.146 -5.797 -0.212
198 HA ASP 24 HA ASP 24 -10.483 -6.793 -2.600
199 1HB ASP 24 HB2 ASP 24 -9.490 -7.999 -0.004
200 2HB ASP 24 HB1 ASP 24 -10.185 -8.970 -1.296
201 H VAL 25 HN VAL 25 -11.825 -5.276 0.041
202 HA VAL 25 HA VAL 25 -14.390 -6.726 -0.284
203 HB VAL 25 HB VAL 25 -13.241 -5.937 2.413
204 1HG1 VAL 25 HG11 VAL 25 -15.201 -8.146 2.016
205 2HG1 VAL 25 HG12 VAL 25 -15.790 -6.502 1.770
206 3HG1 VAL 25 HG13 VAL 25 -15.086 -6.964 3.320
207 1HG2 VAL 25 HG21 VAL 25 -11.702 -7.592 1.655
208 2HG2 VAL 25 HG22 VAL 25 -12.976 -8.534 0.881
209 3HG2 VAL 25 HG23 VAL 25 -12.866 -8.479 2.640
210 H CYS 26 HN CYS 26 -14.438 -4.571 -1.594
211 HA CYS 26 HA CYS 26 -14.465 -1.989 -0.518
212 1HB CYS 26 HB2 CYS 26 -16.055 -3.398 -2.656
213 2HB CYS 26 HB1 CYS 26 -16.354 -1.698 -2.313
214 H TYR 27 HN TYR 27 -16.821 -4.550 -0.045
215 HA TYR 27 HA TYR 27 -18.644 -2.650 1.367
216 1HB TYR 27 HB2 TYR 27 -19.226 -5.520 0.628
217 2HB TYR 27 HB1 TYR 27 -20.370 -4.208 0.885
218 HD1 TYR 27 HD1 TYR 27 -18.393 -5.993 -1.531
219 HD2 TYR 27 HD2 TYR 27 -20.358 -2.247 -0.784
220 HE1 TYR 27 HE1 TYR 27 -18.351 -5.488 -3.957
221 HE2 TYR 27 HE2 TYR 27 -20.316 -1.741 -3.211
222 HH TYR 27 HH TYR 27 -20.196 -3.076 -5.369
223 H GLY 28 HN GLY 28 -18.577 -2.707 3.572
224 1HA GLY 28 HA2 GLY 28 -18.829 -4.115 5.605
225 2HA GLY 28 HA1 GLY 28 -17.669 -5.232 4.893
226 H ILE 29 HN ILE 29 -15.949 -2.962 3.931
227 HA ILE 29 HA ILE 29 -14.357 -2.687 6.360
228 HB ILE 29 HB ILE 29 -12.792 -1.530 4.859
229 1HG1 ILE 29 HG12 ILE 29 -15.003 -1.691 2.782
230 2HG1 ILE 29 HG11 ILE 29 -14.518 -0.217 3.621
231 1HG2 ILE 29 HG21 ILE 29 -12.642 -3.321 3.066
232 2HG2 ILE 29 HG22 ILE 29 -14.147 -3.978 3.709
233 3HG2 ILE 29 HG23 ILE 29 -12.706 -3.917 4.724
234 1HD1 ILE 29 HD11 ILE 29 -12.101 -1.061 2.730
235 2HD1 ILE 29 HD12 ILE 29 -13.142 0.026 1.812
236 3HD1 ILE 29 HD13 ILE 29 -13.136 -1.700 1.454
237 HA PRO 30 HA PRO 30 -15.736 1.238 7.702
238 1HB PRO 30 HB2 PRO 30 -13.403 2.387 8.574
239 2HB PRO 30 HB1 PRO 30 -14.257 1.102 9.451
240 1HG PRO 30 HG2 PRO 30 -11.824 0.955 7.783
241 2HG PRO 30 HG1 PRO 30 -12.286 -0.002 9.191
242 1HD PRO 30 HD2 PRO 30 -12.445 -0.860 6.561
243 2HD PRO 30 HD1 PRO 30 -13.332 -1.570 7.922
244 H SER 31 HN SER 31 -15.811 3.487 7.156
245 HA SER 31 HA SER 31 -15.412 4.169 4.438
246 1HB SER 31 HB2 SER 31 -16.837 5.202 6.373
247 2HB SER 31 HB1 SER 31 -15.409 6.185 6.679
248 HG SER 31 HG SER 31 -17.224 6.760 4.999
249 H SER 32 HN SER 32 -13.337 4.873 7.273
250 HA SER 32 HA SER 32 -11.434 6.532 5.942
251 1HB SER 32 HB2 SER 32 -11.825 5.925 8.458
252 2HB SER 32 HB1 SER 32 -10.740 4.576 8.133
253 HG SER 32 HG SER 32 -9.604 6.421 8.858
254 H THR 33 HN THR 33 -11.451 2.979 6.433
255 HA THR 33 HA THR 33 -8.965 2.520 5.022
256 HB THR 33 HB THR 33 -11.379 0.758 5.565
257 HG1 THR 33 HG1 THR 33 -8.891 1.012 6.915
258 1HG2 THR 33 HG21 THR 33 -8.762 0.249 4.261
259 2HG2 THR 33 HG22 THR 33 -10.301 -0.590 4.066
260 3HG2 THR 33 HG23 THR 33 -9.273 -0.944 5.455
261 H ALA 34 HN ALA 34 -12.396 2.516 4.080
262 HA ALA 34 HA ALA 34 -12.111 1.622 1.397
263 1HB ALA 34 HB1 ALA 34 -14.056 3.610 2.619
264 2HB ALA 34 HB2 ALA 34 -14.236 1.856 2.653
265 3HB ALA 34 HB3 ALA 34 -14.314 2.720 1.118
266 H ARG 35 HN ARG 35 -11.930 4.931 2.769
267 HA ARG 35 HA ARG 35 -11.590 6.314 0.271
268 1HB ARG 35 HB2 ARG 35 -10.700 6.901 3.118
269 2HB ARG 35 HB1 ARG 35 -10.539 8.058 1.800
270 1HG ARG 35 HG2 ARG 35 -12.793 8.458 1.679
271 2HG ARG 35 HG1 ARG 35 -13.219 6.812 2.144
272 1HD ARG 35 HD2 ARG 35 -13.750 7.767 4.158
273 2HD ARG 35 HD1 ARG 35 -11.998 7.737 4.437
274 HE ARG 35 HE ARG 35 -13.554 10.100 3.508
275 1HH1 ARG 35 HH11 ARG 35 -11.423 9.393 5.834
276 2HH1 ARG 35 HH12 ARG 35 -10.191 10.524 5.387
277 1HH2 ARG 35 HH21 ARG 35 -11.599 11.234 2.288
278 2HH2 ARG 35 HH22 ARG 35 -10.293 11.574 3.374
279 H LEU 36 HN LEU 36 -9.249 4.936 2.576
280 HA LEU 36 HA LEU 36 -6.852 5.720 1.198
281 1HB LEU 36 HB2 LEU 36 -7.234 4.844 3.586
282 2HB LEU 36 HB1 LEU 36 -7.285 3.234 2.873
283 HG LEU 36 HG LEU 36 -4.991 4.847 1.976
284 1HD1 LEU 36 HD11 LEU 36 -5.159 5.651 4.306
285 2HD1 LEU 36 HD12 LEU 36 -3.751 4.611 4.097
286 3HD1 LEU 36 HD13 LEU 36 -5.202 3.984 4.879
287 1HD2 LEU 36 HD21 LEU 36 -3.843 2.754 2.264
288 2HD2 LEU 36 HD22 LEU 36 -5.437 2.363 1.619
289 3HD2 LEU 36 HD23 LEU 36 -5.102 2.140 3.336
290 H CYS 37 HN CYS 37 -8.897 2.807 1.024
291 HA CYS 37 HA CYS 37 -7.260 1.285 -0.774
292 1HB CYS 37 HB2 CYS 37 -10.000 1.292 0.320
293 2HB CYS 37 HB1 CYS 37 -9.856 0.528 -1.259
294 H CYS 38 HN CYS 38 -9.627 3.855 -1.311
295 HA CYS 38 HA CYS 38 -9.704 3.434 -4.226
296 1HB CYS 38 HB2 CYS 38 -11.695 4.162 -3.040
297 2HB CYS 38 HB1 CYS 38 -10.823 5.508 -2.313
298 H PHE 39 HN PHE 39 -8.257 5.671 -1.885
299 HA PHE 39 HA PHE 39 -7.164 7.532 -3.798
300 1HB PHE 39 HB2 PHE 39 -7.431 8.315 -1.602
301 2HB PHE 39 HB1 PHE 39 -6.782 6.839 -0.894
302 HD1 PHE 39 HD1 PHE 39 -4.513 6.702 -0.279
303 HD2 PHE 39 HD2 PHE 39 -5.804 9.804 -2.955
304 HE1 PHE 39 HE1 PHE 39 -2.267 7.746 -0.153
305 HE2 PHE 39 HE2 PHE 39 -3.557 10.847 -2.831
306 HZ PHE 39 HZ PHE 39 -1.789 9.817 -1.430
307 H ARG 40 HN ARG 40 -5.833 4.638 -2.194
308 HA ARG 40 HA ARG 40 -3.247 5.014 -3.606
309 1HB ARG 40 HB2 ARG 40 -4.232 3.807 -1.161
310 2HB ARG 40 HB1 ARG 40 -3.240 2.665 -2.060
311 1HG ARG 40 HG2 ARG 40 -1.934 5.189 -2.196
312 2HG ARG 40 HG1 ARG 40 -2.385 4.922 -0.511
313 1HD ARG 40 HD2 ARG 40 -1.073 2.996 -0.322
314 2HD ARG 40 HD1 ARG 40 -1.123 2.673 -2.066
315 HE ARG 40 HE ARG 40 0.502 4.444 -2.408
316 1HH1 ARG 40 HH21 ARG 40 1.651 2.866 -0.056
317 2HH1 ARG 40 HH22 ARG 40 2.118 4.150 1.009
318 1HH2 ARG 40 HH11 ARG 40 0.213 6.553 -0.635
319 2HH2 ARG 40 HH12 ARG 40 1.300 6.249 0.679
320 H TYR 41 HN TYR 41 -5.486 2.244 -3.087
321 HA TYR 41 HA TYR 41 -4.338 0.806 -5.345
322 1HB TYR 41 HB2 TYR 41 -6.712 0.337 -3.531
323 2HB TYR 41 HB1 TYR 41 -6.170 -0.815 -4.745
324 HD1 TYR 41 HD1 TYR 41 -4.258 -2.199 -4.394
325 HD2 TYR 41 HD2 TYR 41 -5.186 0.959 -1.633
326 HE1 TYR 41 HE1 TYR 41 -2.578 -3.097 -2.806
327 HE2 TYR 41 HE2 TYR 41 -3.500 0.068 -0.048
328 HH TYR 41 HH TYR 41 -1.304 -1.407 -0.338
329 H GLY 42 HN GLY 42 -7.335 2.613 -4.759
330 1HA GLY 42 HA2 GLY 42 -8.480 3.777 -6.548
331 2HA GLY 42 HA1 GLY 42 -7.795 2.634 -7.696
332 H ASP 43 HN ASP 43 -9.005 1.121 -4.851
333 HA ASP 43 HA ASP 43 -11.402 0.203 -6.383
334 1HB ASP 43 HB2 ASP 43 -10.460 -1.150 -3.892
335 2HB ASP 43 HB1 ASP 43 -11.110 -1.856 -5.362
336 H CYS 44 HN CYS 44 -13.393 -0.111 -5.127
337 HA CYS 44 HA CYS 44 -15.068 0.616 -3.628
338 1HB CYS 44 HB2 CYS 44 -12.789 1.367 -1.791
339 2HB CYS 44 HB1 CYS 44 -14.390 0.801 -1.346
340 H CYS 45 HN CYS 45 -14.119 2.464 -5.592
341 HA CYS 45 HA CYS 45 -13.784 5.079 -4.262
342 1HB CYS 45 HB2 CYS 45 -13.830 4.046 -7.105
343 2HB CYS 45 HB1 CYS 45 -13.732 5.767 -6.743
344 H HIS 46 HN HIS 46 -15.998 3.806 -6.778
345 HA HIS 46 HA HIS 46 -18.059 5.768 -5.892
346 1HB HIS 46 HB2 HIS 46 -17.503 4.156 -8.382
347 2HB HIS 46 HB1 HIS 46 -19.079 4.906 -8.133
348 HD1 HIS 46 HD1 HIS 46 -19.134 7.543 -7.970
349 HD2 HIS 46 HD2 HIS 46 -15.430 5.951 -9.035
350 HE1 HIS 46 HE1 HIS 46 -17.750 9.474 -8.848
351 H LEU 47 HN LEU 47 -18.630 4.469 -3.965
352 HA LEU 47 HA LEU 47 -19.808 1.790 -4.415
353 1HB LEU 47 HB2 LEU 47 -18.819 3.454 -2.188
354 2HB LEU 47 HB1 LEU 47 -20.251 2.507 -1.787
355 HG LEU 47 HG LEU 47 -18.456 0.852 -3.297
356 1HD1 LEU 47 HD11 LEU 47 -16.719 2.450 -2.484
357 2HD1 LEU 47 HD12 LEU 47 -16.519 0.832 -1.812
358 3HD1 LEU 47 HD13 LEU 47 -17.225 2.114 -0.828
359 1HD2 LEU 47 HD21 LEU 47 -20.229 0.213 -1.604
360 2HD2 LEU 47 HD22 LEU 47 -19.128 0.765 -0.341
361 3HD2 LEU 47 HD23 LEU 47 -18.676 -0.591 -1.374
Start of MODEL 2
1 1H HIS 1 HT1 HIS 1 -25.500 -10.395 -19.530
2 2H HIS 1 HT2 HIS 1 -26.446 -9.352 -18.578
3 3H HIS 1 HT3 HIS 1 -25.613 -10.644 -17.856
4 HA HIS 1 HA HIS 1 -23.509 -9.640 -18.207
5 1HB HIS 1 HB2 HIS 1 -23.328 -7.638 -19.634
6 2HB HIS 1 HB1 HIS 1 -24.098 -8.950 -20.523
7 HD1 HIS 1 HD1 HIS 1 -24.899 -5.682 -18.788
8 HD2 HIS 1 HD2 HIS 1 -26.763 -8.449 -21.292
9 HE1 HIS 1 HE1 HIS 1 -27.082 -4.630 -19.523
10 H SER 2 HN SER 2 -22.713 -7.560 -17.166
11 HA SER 2 HA SER 2 -22.765 -6.047 -15.360
12 1HB SER 2 HB2 SER 2 -25.654 -5.759 -16.247
13 2HB SER 2 HB1 SER 2 -24.704 -4.568 -15.365
14 HG SER 2 HG SER 2 -23.888 -3.946 -17.195
15 H SER 3 HN SER 3 -22.561 -7.992 -13.921
16 HA SER 3 HA SER 3 -24.776 -8.064 -11.966
17 1HB SER 3 HB2 SER 3 -24.460 -9.993 -14.051
18 2HB SER 3 HB1 SER 3 -24.050 -10.781 -12.530
19 HG SER 3 HG SER 3 -26.180 -10.938 -12.491
20 H GLY 4 HN GLY 4 -24.103 -9.259 -9.976
21 1HA GLY 4 HA2 GLY 4 -22.482 -10.164 -8.483
22 2HA GLY 4 HA1 GLY 4 -21.254 -9.956 -9.730
23 H TYR 5 HN TYR 5 -19.805 -8.378 -9.319
24 HA TYR 5 HA TYR 5 -18.871 -6.342 -8.576
25 1HB TYR 5 HB2 TYR 5 -21.420 -5.765 -9.411
26 2HB TYR 5 HB1 TYR 5 -21.465 -5.197 -7.742
27 HD1 TYR 5 HD1 TYR 5 -19.760 -4.845 -11.010
28 HD2 TYR 5 HD2 TYR 5 -20.151 -3.303 -7.019
29 HE1 TYR 5 HE1 TYR 5 -18.478 -2.827 -11.665
30 HE2 TYR 5 HE2 TYR 5 -18.869 -1.284 -7.675
31 HH TYR 5 HH TYR 5 -17.027 -0.834 -9.630
32 H THR 6 HN THR 6 -18.346 -5.267 -6.562
33 HA THR 6 HA THR 6 -19.334 -6.732 -4.138
34 HB THR 6 HB THR 6 -16.663 -5.388 -4.675
35 HG1 THR 6 HG1 THR 6 -16.037 -7.241 -5.428
36 1HG2 THR 6 HG21 THR 6 -17.332 -5.500 -2.282
37 2HG2 THR 6 HG22 THR 6 -15.939 -6.522 -2.634
38 3HG2 THR 6 HG23 THR 6 -17.536 -7.244 -2.443
39 H ARG 7 HN ARG 7 -20.185 -5.491 -2.501
40 HA ARG 7 HA ARG 7 -20.814 -2.715 -2.898
41 1HB ARG 7 HB2 ARG 7 -21.598 -2.903 -0.526
42 2HB ARG 7 HB1 ARG 7 -22.170 -4.228 -1.536
43 1HG ARG 7 HG2 ARG 7 -21.119 -5.749 -0.246
44 2HG ARG 7 HG1 ARG 7 -19.590 -4.882 -0.384
45 1HD ARG 7 HD2 ARG 7 -20.162 -4.912 1.964
46 2HD ARG 7 HD1 ARG 7 -20.497 -3.267 1.389
47 HE ARG 7 HE ARG 7 -22.859 -4.750 0.953
48 1HH1 ARG 7 HH21 ARG 7 -22.233 -2.298 2.823
49 2HH1 ARG 7 HH22 ARG 7 -22.909 -2.891 4.304
50 1HH2 ARG 7 HH11 ARG 7 -23.136 -6.177 3.193
51 2HH2 ARG 7 HH12 ARG 7 -23.421 -5.095 4.514
52 HA PRO 8 HA PRO 8 -17.158 -0.744 -1.429
53 1HB PRO 8 HB2 PRO 8 -18.213 1.570 -0.415
54 2HB PRO 8 HB1 PRO 8 -18.075 1.249 -2.155
55 1HG PRO 8 HG2 PRO 8 -20.448 1.018 -0.371
56 2HG PRO 8 HG1 PRO 8 -20.340 1.617 -2.034
57 1HD PRO 8 HD2 PRO 8 -21.254 -0.865 -1.398
58 2HD PRO 8 HD1 PRO 8 -20.453 -0.485 -2.938
59 H LEU 9 HN LEU 9 -15.986 -0.423 0.513
60 HA LEU 9 HA LEU 9 -17.043 -1.722 2.901
61 1HB LEU 9 HB2 LEU 9 -14.553 -1.125 1.732
62 2HB LEU 9 HB1 LEU 9 -14.578 -0.219 3.245
63 HG LEU 9 HG LEU 9 -15.548 -2.519 4.187
64 1HD1 LEU 9 HD11 LEU 9 -15.550 -3.580 1.932
65 2HD1 LEU 9 HD12 LEU 9 -14.518 -4.440 3.074
66 3HD1 LEU 9 HD13 LEU 9 -13.799 -3.381 1.861
67 1HD2 LEU 9 HD21 LEU 9 -13.425 -1.295 4.827
68 2HD2 LEU 9 HD22 LEU 9 -12.597 -2.203 3.562
69 3HD2 LEU 9 HD23 LEU 9 -13.312 -3.052 4.932
70 H ARG 10 HN ARG 10 -16.587 -0.515 5.085
71 HA ARG 10 HA ARG 10 -18.333 1.767 5.261
72 1HB ARG 10 HB2 ARG 10 -17.682 1.707 7.622
73 2HB ARG 10 HB1 ARG 10 -17.902 0.059 7.037
74 1HG ARG 10 HG2 ARG 10 -15.298 0.288 6.495
75 2HG ARG 10 HG1 ARG 10 -15.382 1.486 7.786
76 1HD ARG 10 HD2 ARG 10 -16.873 -0.850 8.586
77 2HD ARG 10 HD1 ARG 10 -15.242 -1.334 8.082
78 HE ARG 10 HE ARG 10 -14.371 -0.116 9.915
79 1HH1 ARG 10 HH11 ARG 10 -17.326 -0.492 10.923
80 2HH1 ARG 10 HH12 ARG 10 -17.619 1.095 11.551
81 1HH2 ARG 10 HH21 ARG 10 -14.859 2.508 9.980
82 2HH2 ARG 10 HH22 ARG 10 -16.217 2.802 11.013
83 H LYS 11 HN LYS 11 -17.810 3.962 5.655
84 HA LYS 11 HA LYS 11 -14.951 4.754 5.298
85 1HB LYS 11 HB2 LYS 11 -17.072 4.975 3.438
86 2HB LYS 11 HB1 LYS 11 -16.797 6.604 4.054
87 1HG LYS 11 HG2 LYS 11 -14.286 5.219 3.529
88 2HG LYS 11 HG1 LYS 11 -15.295 5.309 2.085
89 1HD LYS 11 HD2 LYS 11 -15.596 7.769 2.537
90 2HD LYS 11 HD1 LYS 11 -14.409 7.622 3.833
91 1HE LYS 11 HE2 LYS 11 -13.400 6.396 1.396
92 2HE LYS 11 HE1 LYS 11 -13.849 8.090 1.115
93 1HZ LYS 11 HZ1 LYS 11 -12.635 8.692 3.139
94 2HZ LYS 11 HZ2 LYS 11 -11.609 7.958 2.001
95 3HZ LYS 11 HZ3 LYS 11 -12.158 7.077 3.346
96 HA PRO 12 HA PRO 12 -16.482 7.081 8.854
97 1HB PRO 12 HB2 PRO 12 -14.037 7.403 10.033
98 2HB PRO 12 HB1 PRO 12 -14.992 5.917 10.183
99 1HG PRO 12 HG2 PRO 12 -12.598 6.462 8.545
100 2HG PRO 12 HG1 PRO 12 -13.158 4.947 9.266
101 1HD PRO 12 HD2 PRO 12 -13.419 5.699 6.584
102 2HD PRO 12 HD1 PRO 12 -14.265 4.361 7.388
103 H SER 13 HN SER 13 -15.159 9.191 9.895
104 HA SER 13 HA SER 13 -14.795 11.028 7.572
105 1HB SER 13 HB2 SER 13 -15.566 11.433 10.476
106 2HB SER 13 HB1 SER 13 -15.351 12.753 9.330
107 HG SER 13 HG SER 13 -17.519 11.390 9.725
108 H ARG 14 HN ARG 14 -12.502 9.801 7.732
109 HA ARG 14 HA ARG 14 -10.737 11.170 9.700
110 1HB ARG 14 HB2 ARG 14 -10.698 8.653 8.085
111 2HB ARG 14 HB1 ARG 14 -9.149 9.372 8.524
112 1HG ARG 14 HG2 ARG 14 -9.838 9.389 10.903
113 2HG ARG 14 HG1 ARG 14 -11.369 8.636 10.455
114 1HD ARG 14 HD2 ARG 14 -10.209 6.700 10.931
115 2HD ARG 14 HD1 ARG 14 -9.625 6.909 9.269
116 HE ARG 14 HE ARG 14 -8.023 7.258 11.650
117 1HH1 ARG 14 HH11 ARG 14 -7.293 6.806 8.634
118 2HH1 ARG 14 HH12 ARG 14 -6.310 8.205 8.358
119 1HH2 ARG 14 HH21 ARG 14 -7.342 9.824 11.256
120 2HH2 ARG 14 HH22 ARG 14 -6.337 9.920 9.850
121 HA PRO 15 HA PRO 15 -9.338 13.805 6.405
122 1HB PRO 15 HB2 PRO 15 -7.163 14.855 7.685
123 2HB PRO 15 HB1 PRO 15 -8.828 15.346 8.052
124 1HG PRO 15 HG2 PRO 15 -7.032 13.494 9.528
125 2HG PRO 15 HG1 PRO 15 -8.208 14.663 10.148
126 1HD PRO 15 HD2 PRO 15 -8.659 11.966 10.000
127 2HD PRO 15 HD1 PRO 15 -9.944 13.192 9.985
128 H ILE 16 HN ILE 16 -7.203 14.186 5.208
129 HA ILE 16 HA ILE 16 -6.096 11.742 4.248
130 HB ILE 16 HB ILE 16 -4.443 13.258 3.150
131 1HG1 ILE 16 HG12 ILE 16 -5.774 15.589 4.506
132 2HG1 ILE 16 HG11 ILE 16 -4.436 14.771 5.312
133 1HG2 ILE 16 HG21 ILE 16 -6.011 14.328 1.767
134 2HG2 ILE 16 HG22 ILE 16 -7.122 14.634 3.101
135 3HG2 ILE 16 HG23 ILE 16 -6.939 13.000 2.464
136 1HD1 ILE 16 HD11 ILE 16 -3.753 16.729 3.856
137 2HD1 ILE 16 HD12 ILE 16 -4.283 15.788 2.462
138 3HD1 ILE 16 HD13 ILE 16 -2.954 15.206 3.465
139 H PHE 17 HN PHE 17 -3.677 11.217 4.342
140 HA PHE 17 HA PHE 17 -2.300 11.993 6.838
141 1HB PHE 17 HB2 PHE 17 -3.999 10.092 7.232
142 2HB PHE 17 HB1 PHE 17 -2.913 9.085 6.275
143 HD1 PHE 17 HD1 PHE 17 -2.842 11.478 9.169
144 HD2 PHE 17 HD2 PHE 17 -1.172 7.959 7.354
145 HE1 PHE 17 HE1 PHE 17 -1.404 11.132 11.160
146 HE2 PHE 17 HE2 PHE 17 0.264 7.615 9.346
147 HZ PHE 17 HZ PHE 17 0.148 9.201 11.248
148 H ILE 18 HN ILE 18 -0.086 11.007 6.920
149 HA ILE 18 HA ILE 18 1.235 11.130 4.336
150 HB ILE 18 HB ILE 18 3.250 10.742 5.693
151 1HG1 ILE 18 HG12 ILE 18 1.295 10.131 7.938
152 2HG1 ILE 18 HG11 ILE 18 2.333 8.954 7.138
153 1HG2 ILE 18 HG21 ILE 18 1.477 12.437 7.433
154 2HG2 ILE 18 HG22 ILE 18 1.823 12.941 5.778
155 3HG2 ILE 18 HG23 ILE 18 3.143 12.724 6.927
156 1HD1 ILE 18 HD11 ILE 18 3.077 11.156 9.034
157 2HD1 ILE 18 HD12 ILE 18 4.251 10.640 7.823
158 3HD1 ILE 18 HD13 ILE 18 3.628 9.481 8.997
159 H ARG 19 HN ARG 19 2.894 9.299 3.820
160 HA ARG 19 HA ARG 19 1.417 6.861 3.322
161 1HB ARG 19 HB2 ARG 19 3.160 6.435 1.868
162 2HB ARG 19 HB1 ARG 19 3.400 8.165 2.074
163 1HG ARG 19 HG2 ARG 19 4.789 6.147 3.850
164 2HG ARG 19 HG1 ARG 19 5.469 6.659 2.310
165 1HD ARG 19 HD2 ARG 19 4.921 9.092 3.350
166 2HD ARG 19 HD1 ARG 19 5.219 8.186 4.847
167 HE ARG 19 HE ARG 19 7.440 7.619 4.016
168 1HH1 ARG 19 HH11 ARG 19 6.749 7.665 1.067
169 2HH1 ARG 19 HH12 ARG 19 7.585 9.084 0.537
170 1HH2 ARG 19 HH21 ARG 19 8.025 10.340 3.749
171 2HH2 ARG 19 HH22 ARG 19 8.312 10.607 2.062
172 HA PRO 20 HA PRO 20 2.452 4.543 6.893
173 1HB PRO 20 HB2 PRO 20 2.538 2.012 5.843
174 2HB PRO 20 HB1 PRO 20 1.030 2.905 6.120
175 1HG PRO 20 HG2 PRO 20 2.544 2.494 3.594
176 2HG PRO 20 HG1 PRO 20 0.798 2.524 3.872
177 1HD PRO 20 HD2 PRO 20 2.187 4.621 2.820
178 2HD PRO 20 HD1 PRO 20 0.685 4.801 3.747
179 H ILE 21 HN ILE 21 4.132 3.071 7.790
180 HA ILE 21 HA ILE 21 6.797 3.790 6.851
181 HB ILE 21 HB ILE 21 5.799 1.976 9.076
182 1HG1 ILE 21 HG12 ILE 21 6.878 4.522 9.905
183 2HG1 ILE 21 HG11 ILE 21 5.592 4.780 8.730
184 1HG2 ILE 21 HG21 ILE 21 8.117 1.487 8.702
185 2HG2 ILE 21 HG22 ILE 21 8.062 2.585 10.081
186 3HG2 ILE 21 HG23 ILE 21 8.509 3.193 8.487
187 1HD1 ILE 21 HD11 ILE 21 4.313 2.981 10.167
188 2HD1 ILE 21 HD12 ILE 21 4.377 4.656 10.717
189 3HD1 ILE 21 HD13 ILE 21 5.459 3.455 11.421
190 H GLY 22 HN GLY 22 8.493 2.088 6.588
191 1HA GLY 22 HA2 GLY 22 9.094 -0.233 6.075
192 2HA GLY 22 HA1 GLY 22 7.465 -0.466 5.448
193 H CYS 23 HN CYS 23 6.983 1.332 3.657
194 HA CYS 23 HA CYS 23 8.686 0.749 1.417
195 1HB CYS 23 HB2 CYS 23 6.336 2.470 2.048
196 2HB CYS 23 HB1 CYS 23 7.195 2.806 0.553
197 H ASP 24 HN ASP 24 8.602 3.460 3.683
198 HA ASP 24 HA ASP 24 10.446 5.089 2.077
199 1HB ASP 24 HB2 ASP 24 8.530 5.614 3.909
200 2HB ASP 24 HB1 ASP 24 9.943 5.627 4.961
201 H VAL 25 HN VAL 25 11.051 2.289 3.575
202 HA VAL 25 HA VAL 25 13.774 3.112 4.436
203 HB VAL 25 HB VAL 25 12.074 1.051 5.876
204 1HG1 VAL 25 HG11 VAL 25 14.401 0.814 6.365
205 2HG1 VAL 25 HG12 VAL 25 13.709 1.681 7.735
206 3HG1 VAL 25 HG13 VAL 25 14.621 2.558 6.506
207 1HG2 VAL 25 HG21 VAL 25 11.828 2.916 7.631
208 2HG2 VAL 25 HG22 VAL 25 10.828 3.065 6.186
209 3HG2 VAL 25 HG23 VAL 25 12.293 4.034 6.349
210 H CYS 26 HN CYS 26 13.650 2.265 2.004
211 HA CYS 26 HA CYS 26 13.323 -0.366 1.189
212 1HB CYS 26 HB2 CYS 26 15.409 1.722 0.523
213 2HB CYS 26 HB1 CYS 26 15.264 0.222 -0.387
214 H TYR 27 HN TYR 27 15.895 0.905 3.230
215 HA TYR 27 HA TYR 27 17.288 -1.735 3.149
216 1HB TYR 27 HB2 TYR 27 18.154 0.953 4.252
217 2HB TYR 27 HB1 TYR 27 19.176 -0.469 4.081
218 HD1 TYR 27 HD1 TYR 27 17.819 2.444 2.431
219 HD2 TYR 27 HD2 TYR 27 19.575 -1.417 1.744
220 HE1 TYR 27 HE1 TYR 27 18.346 3.098 0.098
221 HE2 TYR 27 HE2 TYR 27 20.100 -0.762 -0.589
222 HH TYR 27 HH TYR 27 20.423 1.976 -1.699
223 H GLY 28 HN GLY 28 16.973 -3.071 4.862
224 1HA GLY 28 HA2 GLY 28 17.101 -3.344 7.331
225 2HA GLY 28 HA1 GLY 28 16.144 -1.872 7.474
226 H ILE 29 HN ILE 29 14.360 -2.712 5.207
227 HA ILE 29 HA ILE 29 12.474 -4.261 6.815
228 HB ILE 29 HB ILE 29 10.971 -3.868 4.917
229 1HG1 ILE 29 HG12 ILE 29 13.398 -2.733 3.484
230 2HG1 ILE 29 HG11 ILE 29 12.671 -4.302 3.131
231 1HG2 ILE 29 HG21 ILE 29 11.162 -1.372 4.801
232 2HG2 ILE 29 HG22 ILE 29 12.722 -1.496 5.612
233 3HG2 ILE 29 HG23 ILE 29 11.255 -2.010 6.442
234 1HD1 ILE 29 HD11 ILE 29 11.710 -2.806 1.549
235 2HD1 ILE 29 HD12 ILE 29 11.448 -1.561 2.771
236 3HD1 ILE 29 HD13 ILE 29 10.471 -3.028 2.783
237 HA PRO 30 HA PRO 30 13.267 -8.243 5.201
238 1HB PRO 30 HB2 PRO 30 10.742 -9.294 5.000
239 2HB PRO 30 HB1 PRO 30 11.596 -9.065 6.539
240 1HG PRO 30 HG2 PRO 30 9.428 -7.468 5.325
241 2HG PRO 30 HG1 PRO 30 9.787 -7.775 7.025
242 1HD PRO 30 HD2 PRO 30 10.370 -5.428 5.679
243 2HD PRO 30 HD1 PRO 30 11.142 -5.957 7.185
244 H SER 31 HN SER 31 13.157 -9.570 3.300
245 HA SER 31 HA SER 31 13.091 -8.231 0.808
246 1HB SER 31 HB2 SER 31 14.051 -10.539 1.670
247 2HB SER 31 HB1 SER 31 12.522 -11.169 1.066
248 HG SER 31 HG SER 31 14.661 -10.673 -0.322
249 H SER 32 HN SER 32 10.554 -10.223 2.366
250 HA SER 32 HA SER 32 8.709 -10.224 0.178
251 1HB SER 32 HB2 SER 32 8.810 -11.524 2.460
252 2HB SER 32 HB1 SER 32 7.886 -10.159 3.077
253 HG SER 32 HG SER 32 6.581 -11.900 2.263
254 H THR 33 HN THR 33 9.064 -7.972 2.938
255 HA THR 33 HA THR 33 6.827 -6.292 2.247
256 HB THR 33 HB THR 33 9.423 -5.794 3.739
257 HG1 THR 33 HG1 THR 33 6.802 -6.165 4.747
258 1HG2 THR 33 HG21 THR 33 7.001 -4.067 3.298
259 2HG2 THR 33 HG22 THR 33 8.706 -3.618 3.273
260 3HG2 THR 33 HG23 THR 33 7.903 -3.946 4.808
261 H ALA 34 HN ALA 34 10.290 -6.194 1.407
262 HA ALA 34 HA ALA 34 10.318 -3.735 -0.015
263 1HB ALA 34 HB1 ALA 34 12.240 -5.075 -1.255
264 2HB ALA 34 HB2 ALA 34 11.899 -6.288 -0.020
265 3HB ALA 34 HB3 ALA 34 12.408 -4.667 0.453
266 H ARG 35 HN ARG 35 9.571 -7.045 -1.159
267 HA ARG 35 HA ARG 35 9.260 -6.381 -3.938
268 1HB ARG 35 HB2 ARG 35 8.051 -8.546 -2.178
269 2HB ARG 35 HB1 ARG 35 7.911 -8.525 -3.934
270 1HG ARG 35 HG2 ARG 35 10.636 -8.122 -3.473
271 2HG ARG 35 HG1 ARG 35 10.170 -9.335 -2.281
272 1HD ARG 35 HD2 ARG 35 9.485 -10.875 -3.921
273 2HD ARG 35 HD1 ARG 35 9.270 -9.612 -5.149
274 HE ARG 35 HE ARG 35 11.953 -10.470 -4.116
275 1HH1 ARG 35 HH21 ARG 35 11.881 -7.832 -5.507
276 2HH1 ARG 35 HH22 ARG 35 12.214 -8.264 -7.150
277 1HH2 ARG 35 HH11 ARG 35 11.503 -11.635 -6.677
278 2HH2 ARG 35 HH12 ARG 35 12.000 -10.429 -7.815
279 H LEU 36 HN LEU 36 6.916 -6.494 -1.243
280 HA LEU 36 HA LEU 36 4.607 -5.777 -2.827
281 1HB LEU 36 HB2 LEU 36 5.141 -6.637 -0.261
282 2HB LEU 36 HB1 LEU 36 4.681 -4.958 0.011
283 HG LEU 36 HG LEU 36 2.694 -6.374 0.126
284 1HD1 LEU 36 HD11 LEU 36 2.624 -4.086 -1.006
285 2HD1 LEU 36 HD12 LEU 36 1.301 -5.182 -1.404
286 3HD1 LEU 36 HD13 LEU 36 2.627 -4.951 -2.543
287 1HD2 LEU 36 HD21 LEU 36 1.983 -7.754 -1.738
288 2HD2 LEU 36 HD22 LEU 36 3.638 -8.200 -1.325
289 3HD2 LEU 36 HD23 LEU 36 3.324 -7.182 -2.730
290 H CYS 37 HN CYS 37 7.018 -3.902 -1.002
291 HA CYS 37 HA CYS 37 5.734 -1.337 -1.223
292 1HB CYS 37 HB2 CYS 37 8.353 -2.490 -0.473
293 2HB CYS 37 HB1 CYS 37 8.417 -0.831 -1.061
294 H CYS 38 HN CYS 38 7.843 -3.165 -3.404
295 HA CYS 38 HA CYS 38 8.257 -0.864 -5.200
296 1HB CYS 38 HB2 CYS 38 10.035 -2.482 -4.865
297 2HB CYS 38 HB1 CYS 38 8.963 -3.817 -5.276
298 H PHE 39 HN PHE 39 6.337 -3.844 -5.078
299 HA PHE 39 HA PHE 39 5.270 -3.679 -7.753
300 1HB PHE 39 HB2 PHE 39 5.223 -5.787 -6.707
301 2HB PHE 39 HB1 PHE 39 4.617 -5.124 -5.192
302 HD1 PHE 39 HD1 PHE 39 3.610 -5.410 -8.802
303 HD2 PHE 39 HD2 PHE 39 2.354 -5.385 -4.694
304 HE1 PHE 39 HE1 PHE 39 1.287 -5.907 -9.510
305 HE2 PHE 39 HE2 PHE 39 0.031 -5.884 -5.402
306 HZ PHE 39 HZ PHE 39 -0.503 -6.144 -7.810
307 H ARG 40 HN ARG 40 4.086 -2.530 -4.589
308 HA ARG 40 HA ARG 40 1.660 -1.415 -5.891
309 1HB ARG 40 HB2 ARG 40 2.562 -2.157 -3.149
310 2HB ARG 40 HB1 ARG 40 1.358 -0.879 -3.278
311 1HG ARG 40 HG2 ARG 40 1.046 -3.494 -4.752
312 2HG ARG 40 HG1 ARG 40 0.481 -3.296 -3.094
313 1HD ARG 40 HD2 ARG 40 -1.352 -2.148 -3.780
314 2HD ARG 40 HD1 ARG 40 -0.369 -1.068 -4.789
315 HE ARG 40 HE ARG 40 -1.366 -3.753 -5.656
316 1HH1 ARG 40 HH21 ARG 40 -2.552 -1.414 -6.971
317 2HH1 ARG 40 HH22 ARG 40 -1.563 -1.201 -8.377
318 1HH2 ARG 40 HH11 ARG 40 1.036 -3.162 -7.166
319 2HH2 ARG 40 HH12 ARG 40 0.478 -2.191 -8.485
320 H TYR 41 HN TYR 41 4.043 -0.176 -3.489
321 HA TYR 41 HA TYR 41 3.339 2.586 -4.061
322 1HB TYR 41 HB2 TYR 41 5.510 1.201 -2.484
323 2HB TYR 41 HB1 TYR 41 5.381 2.955 -2.565
324 HD1 TYR 41 HD1 TYR 41 3.593 4.144 -1.442
325 HD2 TYR 41 HD2 TYR 41 3.746 -0.150 -1.416
326 HE1 TYR 41 HE1 TYR 41 1.866 4.094 0.342
327 HE2 TYR 41 HE2 TYR 41 2.015 -0.201 0.360
328 HH TYR 41 HH TYR 41 0.012 1.823 1.033
329 H GLY 42 HN GLY 42 6.062 0.479 -4.970
330 1HA GLY 42 HA2 GLY 42 7.184 0.735 -7.106
331 2HA GLY 42 HA1 GLY 42 6.735 2.435 -7.107
332 H ASP 43 HN ASP 43 7.885 1.401 -4.047
333 HA ASP 43 HA ASP 43 10.511 2.722 -4.596
334 1HB ASP 43 HB2 ASP 43 9.182 2.212 -1.924
335 2HB ASP 43 HB1 ASP 43 10.475 3.345 -2.276
336 H CYS 44 HN CYS 44 12.394 1.800 -3.474
337 HA CYS 44 HA CYS 44 13.807 0.014 -2.849
338 1HB CYS 44 HB2 CYS 44 11.232 -1.380 -2.082
339 2HB CYS 44 HB1 CYS 44 12.830 -1.658 -1.409
340 H CYS 45 HN CYS 45 12.766 0.199 -5.565
341 HA CYS 45 HA CYS 45 12.167 -2.557 -6.428
342 1HB CYS 45 HB2 CYS 45 12.506 0.136 -7.775
343 2HB CYS 45 HB1 CYS 45 12.200 -1.340 -8.685
344 H HIS 46 HN HIS 46 14.616 -0.121 -7.374
345 HA HIS 46 HA HIS 46 16.462 -2.260 -8.239
346 1HB HIS 46 HB2 HIS 46 16.515 0.776 -8.314
347 2HB HIS 46 HB1 HIS 46 17.792 -0.239 -8.984
348 HD1 HIS 46 HD1 HIS 46 14.542 1.225 -9.803
349 HD2 HIS 46 HD2 HIS 46 16.771 -2.043 -11.122
350 HE1 HIS 46 HE1 HIS 46 13.535 0.516 -12.017
351 H LEU 47 HN LEU 47 16.986 -3.165 -6.130
352 HA LEU 47 HA LEU 47 18.713 -1.388 -4.437
353 1HB LEU 47 HB2 LEU 47 16.298 -2.660 -3.821
354 2HB LEU 47 HB1 LEU 47 17.527 -3.698 -3.099
355 HG LEU 47 HG LEU 47 18.509 -1.324 -2.324
356 1HD1 LEU 47 HD11 LEU 47 16.840 0.300 -1.891
357 2HD1 LEU 47 HD12 LEU 47 15.531 -0.842 -2.197
358 3HD1 LEU 47 HD13 LEU 47 16.504 -0.236 -3.537
359 1HD2 LEU 47 HD21 LEU 47 17.911 -3.209 -0.848
360 2HD2 LEU 47 HD22 LEU 47 16.206 -2.777 -0.980
361 3HD2 LEU 47 HD23 LEU 47 17.333 -1.684 -0.175
Start of MODEL 3
1 1H HIS 1 HT1 HIS 1 -35.085 0.972 -16.112
2 2H HIS 1 HT2 HIS 1 -34.161 2.394 -16.220
3 3H HIS 1 HT3 HIS 1 -35.833 2.442 -16.512
4 HA HIS 1 HA HIS 1 -35.362 3.333 -14.314
5 1HB HIS 1 HB2 HIS 1 -36.993 1.013 -15.011
6 2HB HIS 1 HB1 HIS 1 -36.615 1.043 -13.289
7 HD1 HIS 1 HD1 HIS 1 -38.885 2.481 -15.726
8 HD2 HIS 1 HD2 HIS 1 -37.257 3.731 -12.096
9 HE1 HIS 1 HE1 HIS 1 -40.323 4.404 -14.919
10 H SER 2 HN SER 2 -33.951 3.290 -12.596
11 HA SER 2 HA SER 2 -32.667 0.724 -11.803
12 1HB SER 2 HB2 SER 2 -30.445 1.968 -11.879
13 2HB SER 2 HB1 SER 2 -31.163 1.629 -13.450
14 HG SER 2 HG SER 2 -30.602 4.004 -12.279
15 H SER 3 HN SER 3 -31.889 0.766 -9.614
16 HA SER 3 HA SER 3 -33.088 2.908 -7.942
17 1HB SER 3 HB2 SER 3 -33.283 0.329 -7.655
18 2HB SER 3 HB1 SER 3 -31.649 0.424 -7.005
19 HG SER 3 HG SER 3 -33.129 0.644 -5.330
20 H GLY 4 HN GLY 4 -31.789 4.609 -7.380
21 1HA GLY 4 HA2 GLY 4 -28.861 4.362 -7.533
22 2HA GLY 4 HA1 GLY 4 -29.759 5.847 -7.228
23 H TYR 5 HN TYR 5 -27.627 3.867 -5.774
24 HA TYR 5 HA TYR 5 -28.710 4.481 -3.051
25 1HB TYR 5 HB2 TYR 5 -28.322 1.943 -4.331
26 2HB TYR 5 HB1 TYR 5 -27.171 2.074 -3.002
27 HD1 TYR 5 HD1 TYR 5 -30.668 1.708 -3.927
28 HD2 TYR 5 HD2 TYR 5 -27.993 2.603 -0.687
29 HE1 TYR 5 HE1 TYR 5 -32.492 1.278 -2.302
30 HE2 TYR 5 HE2 TYR 5 -29.817 2.173 0.937
31 HH TYR 5 HH TYR 5 -32.982 2.102 0.167
32 H THR 6 HN THR 6 -27.205 5.426 -1.720
33 HA THR 6 HA THR 6 -24.435 5.765 -2.750
34 HB THR 6 HB THR 6 -25.858 7.044 -0.389
35 HG1 THR 6 HG1 THR 6 -26.960 7.998 -1.887
36 1HG2 THR 6 HG21 THR 6 -23.314 7.622 -1.902
37 2HG2 THR 6 HG22 THR 6 -23.539 7.435 -0.163
38 3HG2 THR 6 HG23 THR 6 -24.138 8.879 -0.980
39 H ARG 7 HN ARG 7 -23.245 3.942 -2.144
40 HA ARG 7 HA ARG 7 -22.788 3.519 0.732
41 1HB ARG 7 HB2 ARG 7 -24.859 2.187 -0.358
42 2HB ARG 7 HB1 ARG 7 -23.563 1.075 -0.795
43 1HG ARG 7 HG2 ARG 7 -24.332 0.341 1.339
44 2HG ARG 7 HG1 ARG 7 -22.825 1.201 1.654
45 1HD ARG 7 HD2 ARG 7 -24.326 2.072 3.281
46 2HD ARG 7 HD1 ARG 7 -24.356 3.294 1.995
47 HE ARG 7 HE ARG 7 -26.323 1.426 1.283
48 1HH1 ARG 7 HH21 ARG 7 -26.777 1.118 4.204
49 2HH1 ARG 7 HH22 ARG 7 -27.915 2.378 4.543
50 1HH2 ARG 7 HH11 ARG 7 -27.278 4.102 1.591
51 2HH2 ARG 7 HH12 ARG 7 -28.199 4.078 3.057
52 HA PRO 8 HA PRO 8 -18.849 2.598 -1.119
53 1HB PRO 8 HB2 PRO 8 -17.550 1.855 1.172
54 2HB PRO 8 HB1 PRO 8 -17.901 3.547 0.767
55 1HG PRO 8 HG2 PRO 8 -19.301 1.723 2.650
56 2HG PRO 8 HG1 PRO 8 -18.970 3.456 2.790
57 1HD PRO 8 HD2 PRO 8 -21.400 2.414 2.079
58 2HD PRO 8 HD1 PRO 8 -20.841 4.037 1.620
59 H LEU 9 HN LEU 9 -17.636 0.699 -1.662
60 HA LEU 9 HA LEU 9 -19.037 -1.767 -1.824
61 1HB LEU 9 HB2 LEU 9 -16.884 -2.627 -2.621
62 2HB LEU 9 HB1 LEU 9 -17.135 -0.999 -3.246
63 HG LEU 9 HG LEU 9 -15.864 -0.597 -0.785
64 1HD1 LEU 9 HD11 LEU 9 -15.407 -3.167 -1.073
65 2HD1 LEU 9 HD12 LEU 9 -14.085 -2.102 -0.596
66 3HD1 LEU 9 HD13 LEU 9 -14.226 -2.635 -2.271
67 1HD2 LEU 9 HD21 LEU 9 -15.513 0.653 -2.897
68 2HD2 LEU 9 HD22 LEU 9 -14.659 -0.736 -3.569
69 3HD2 LEU 9 HD23 LEU 9 -13.980 0.136 -2.195
70 H ARG 10 HN ARG 10 -18.623 -3.812 -0.718
71 HA ARG 10 HA ARG 10 -17.991 -3.453 2.152
72 1HB ARG 10 HB2 ARG 10 -19.856 -4.895 0.654
73 2HB ARG 10 HB1 ARG 10 -18.730 -6.125 1.227
74 1HG ARG 10 HG2 ARG 10 -20.476 -5.857 2.892
75 2HG ARG 10 HG1 ARG 10 -18.979 -5.195 3.544
76 1HD ARG 10 HD2 ARG 10 -20.887 -3.667 3.984
77 2HD ARG 10 HD1 ARG 10 -19.723 -2.905 2.885
78 HE ARG 10 HE ARG 10 -21.359 -3.015 1.182
79 1HH1 ARG 10 HH21 ARG 10 -23.555 -3.023 3.160
80 2HH1 ARG 10 HH22 ARG 10 -24.423 -4.472 2.773
81 1HH2 ARG 10 HH11 ARG 10 -21.827 -5.839 0.907
82 2HH2 ARG 10 HH12 ARG 10 -23.441 -6.071 1.489
83 H LYS 11 HN LYS 11 -16.047 -4.084 2.995
84 HA LYS 11 HA LYS 11 -13.982 -5.229 1.295
85 1HB LYS 11 HB2 LYS 11 -14.267 -4.285 4.134
86 2HB LYS 11 HB1 LYS 11 -12.832 -5.198 3.670
87 1HG LYS 11 HG2 LYS 11 -11.972 -3.253 2.916
88 2HG LYS 11 HG1 LYS 11 -13.148 -3.344 1.606
89 1HD LYS 11 HD2 LYS 11 -14.787 -2.273 3.345
90 2HD LYS 11 HD1 LYS 11 -13.308 -1.798 4.181
91 1HE LYS 11 HE2 LYS 11 -12.507 -0.772 2.002
92 2HE LYS 11 HE1 LYS 11 -14.133 -1.063 1.353
93 1HZ LYS 11 HZ1 LYS 11 -13.376 0.598 3.691
94 2HZ LYS 11 HZ2 LYS 11 -14.973 0.076 3.428
95 3HZ LYS 11 HZ3 LYS 11 -14.207 1.082 2.293
96 HA PRO 12 HA PRO 12 -14.718 -9.469 2.284
97 1HB PRO 12 HB2 PRO 12 -12.261 -10.471 1.605
98 2HB PRO 12 HB1 PRO 12 -13.455 -9.945 0.405
99 1HG PRO 12 HG2 PRO 12 -11.024 -8.557 1.390
100 2HG PRO 12 HG1 PRO 12 -11.738 -8.578 -0.229
101 1HD PRO 12 HD2 PRO 12 -11.997 -6.508 1.567
102 2HD PRO 12 HD1 PRO 12 -13.116 -6.827 0.225
103 H SER 13 HN SER 13 -12.631 -11.215 3.233
104 HA SER 13 HA SER 13 -12.763 -10.901 6.047
105 1HB SER 13 HB2 SER 13 -10.879 -12.387 4.196
106 2HB SER 13 HB1 SER 13 -10.868 -12.611 5.942
107 HG SER 13 HG SER 13 -12.713 -13.407 4.036
108 H ARG 14 HN ARG 14 -10.706 -10.717 7.466
109 HA ARG 14 HA ARG 14 -9.608 -8.178 7.524
110 1HB ARG 14 HB2 ARG 14 -9.443 -10.006 9.237
111 2HB ARG 14 HB1 ARG 14 -8.181 -10.754 8.258
112 1HG ARG 14 HG2 ARG 14 -6.703 -9.464 9.375
113 2HG ARG 14 HG1 ARG 14 -7.367 -8.091 8.490
114 1HD ARG 14 HD2 ARG 14 -9.165 -7.973 10.335
115 2HD ARG 14 HD1 ARG 14 -8.110 -9.058 11.261
116 HE ARG 14 HE ARG 14 -7.387 -6.305 10.373
117 1HH1 ARG 14 HH21 ARG 14 -7.440 -7.001 13.261
118 2HH1 ARG 14 HH22 ARG 14 -5.776 -7.333 13.603
119 1HH2 ARG 14 HH11 ARG 14 -4.891 -7.699 10.259
120 2HH2 ARG 14 HH12 ARG 14 -4.326 -7.729 11.896
121 HA PRO 15 HA PRO 15 -7.004 -8.144 3.895
122 1HB PRO 15 HB2 PRO 15 -5.957 -5.652 4.293
123 2HB PRO 15 HB1 PRO 15 -7.595 -5.924 3.666
124 1HG PRO 15 HG2 PRO 15 -6.717 -5.199 6.414
125 2HG PRO 15 HG1 PRO 15 -8.130 -4.652 5.497
126 1HD PRO 15 HD2 PRO 15 -8.238 -6.547 7.460
127 2HD PRO 15 HD1 PRO 15 -9.386 -6.459 6.106
128 H ILE 16 HN ILE 16 -4.587 -7.372 3.565
129 HA ILE 16 HA ILE 16 -2.841 -9.071 4.997
130 HB ILE 16 HB ILE 16 -2.386 -6.510 3.428
131 1HG1 ILE 16 HG12 ILE 16 -1.842 -9.353 2.563
132 2HG1 ILE 16 HG11 ILE 16 -3.443 -8.637 2.382
133 1HG2 ILE 16 HG21 ILE 16 -0.404 -6.846 4.764
134 2HG2 ILE 16 HG22 ILE 16 -0.043 -7.420 3.137
135 3HG2 ILE 16 HG23 ILE 16 -0.401 -8.576 4.419
136 1HD1 ILE 16 HD11 ILE 16 -2.384 -6.736 1.126
137 2HD1 ILE 16 HD12 ILE 16 -2.222 -8.294 0.314
138 3HD1 ILE 16 HD13 ILE 16 -0.852 -7.609 1.190
139 H PHE 17 HN PHE 17 -1.030 -8.437 6.454
140 HA PHE 17 HA PHE 17 -1.871 -7.039 8.803
141 1HB PHE 17 HB2 PHE 17 0.046 -8.817 8.197
142 2HB PHE 17 HB1 PHE 17 1.028 -7.355 8.135
143 HD1 PHE 17 HD1 PHE 17 -1.669 -8.826 10.308
144 HD2 PHE 17 HD2 PHE 17 2.077 -6.732 10.114
145 HE1 PHE 17 HE1 PHE 17 -1.555 -8.800 12.785
146 HE2 PHE 17 HE2 PHE 17 2.190 -6.706 12.591
147 HZ PHE 17 HZ PHE 17 0.375 -7.740 13.926
148 H ILE 18 HN ILE 18 -0.229 -5.246 9.695
149 HA ILE 18 HA ILE 18 -0.735 -2.809 8.307
150 HB ILE 18 HB ILE 18 0.793 -1.850 9.986
151 1HG1 ILE 18 HG12 ILE 18 1.546 -4.119 11.494
152 2HG1 ILE 18 HG11 ILE 18 1.973 -4.486 9.824
153 1HG2 ILE 18 HG21 ILE 18 -0.615 -4.090 11.408
154 2HG2 ILE 18 HG22 ILE 18 -1.553 -2.876 10.539
155 3HG2 ILE 18 HG23 ILE 18 -0.489 -2.390 11.859
156 1HD1 ILE 18 HD11 ILE 18 2.887 -1.980 9.894
157 2HD1 ILE 18 HD12 ILE 18 3.872 -3.332 10.452
158 3HD1 ILE 18 HD13 ILE 18 3.005 -2.331 11.618
159 H ARG 19 HN ARG 19 1.324 -1.278 7.946
160 HA ARG 19 HA ARG 19 2.534 -1.975 5.508
161 1HB ARG 19 HB2 ARG 19 2.793 0.254 5.789
162 2HB ARG 19 HB1 ARG 19 2.639 0.117 7.532
163 1HG ARG 19 HG2 ARG 19 5.225 -0.847 6.491
164 2HG ARG 19 HG1 ARG 19 4.925 0.865 6.212
165 1HD ARG 19 HD2 ARG 19 4.836 1.367 8.486
166 2HD ARG 19 HD1 ARG 19 4.360 -0.283 8.933
167 HE ARG 19 HE ARG 19 7.008 -0.078 7.674
168 1HH1 ARG 19 HH11 ARG 19 7.289 1.534 10.126
169 2HH1 ARG 19 HH12 ARG 19 7.662 0.347 11.333
170 1HH2 ARG 19 HH21 ARG 19 6.557 -2.333 9.402
171 2HH2 ARG 19 HH22 ARG 19 7.240 -1.856 10.922
172 HA PRO 20 HA PRO 20 5.508 -4.956 6.966
173 1HB PRO 20 HB2 PRO 20 6.628 -5.428 4.508
174 2HB PRO 20 HB1 PRO 20 5.084 -6.135 5.031
175 1HG PRO 20 HG2 PRO 20 5.595 -3.807 3.254
176 2HG PRO 20 HG1 PRO 20 4.352 -5.059 3.146
177 1HD PRO 20 HD2 PRO 20 3.874 -2.547 4.097
178 2HD PRO 20 HD1 PRO 20 2.951 -3.979 4.589
179 H ILE 21 HN ILE 21 7.973 -5.223 6.551
180 HA ILE 21 HA ILE 21 9.268 -2.650 7.092
181 HB ILE 21 HB ILE 21 10.343 -5.486 6.867
182 1HG1 ILE 21 HG12 ILE 21 10.084 -4.424 9.548
183 2HG1 ILE 21 HG11 ILE 21 8.529 -4.378 8.725
184 1HG2 ILE 21 HG21 ILE 21 12.074 -4.506 8.488
185 2HG2 ILE 21 HG22 ILE 21 11.470 -2.920 8.006
186 3HG2 ILE 21 HG23 ILE 21 12.197 -3.989 6.806
187 1HD1 ILE 21 HD11 ILE 21 8.914 -6.784 8.051
188 2HD1 ILE 21 HD12 ILE 21 8.717 -6.537 9.786
189 3HD1 ILE 21 HD13 ILE 21 10.325 -6.786 9.109
190 H GLY 22 HN GLY 22 11.343 -2.123 5.957
191 1HA GLY 22 HA2 GLY 22 12.776 -2.344 3.973
192 2HA GLY 22 HA1 GLY 22 11.381 -2.970 3.099
193 H CYS 23 HN CYS 23 9.431 -1.309 3.271
194 HA CYS 23 HA CYS 23 10.202 1.068 1.835
195 1HB CYS 23 HB2 CYS 23 7.740 -0.128 3.026
196 2HB CYS 23 HB1 CYS 23 7.667 1.564 2.555
197 H ASP 24 HN ASP 24 9.604 0.425 5.245
198 HA ASP 24 HA ASP 24 9.581 3.282 5.955
199 1HB ASP 24 HB2 ASP 24 9.055 0.651 7.182
200 2HB ASP 24 HB1 ASP 24 9.784 1.818 8.280
201 H VAL 25 HN VAL 25 12.045 1.654 4.787
202 HA VAL 25 HA VAL 25 14.026 2.852 6.640
203 HB VAL 25 HB VAL 25 14.240 0.041 5.511
204 1HG1 VAL 25 HG11 VAL 25 15.814 0.067 7.687
205 2HG1 VAL 25 HG12 VAL 25 15.879 1.784 7.291
206 3HG1 VAL 25 HG13 VAL 25 16.395 0.585 6.105
207 1HG2 VAL 25 HG21 VAL 25 12.380 -0.061 7.024
208 2HG2 VAL 25 HG22 VAL 25 13.183 0.993 8.187
209 3HG2 VAL 25 HG23 VAL 25 13.774 -0.649 7.931
210 H CYS 26 HN CYS 26 13.531 4.220 4.500
211 HA CYS 26 HA CYS 26 14.415 3.609 1.934
212 1HB CYS 26 HB2 CYS 26 14.674 6.120 3.610
213 2HB CYS 26 HB1 CYS 26 14.993 6.096 1.879
214 H TYR 27 HN TYR 27 16.396 4.130 4.793
215 HA TYR 27 HA TYR 27 18.871 4.079 3.126
216 1HB TYR 27 HB2 TYR 27 18.448 4.730 6.058
217 2HB TYR 27 HB1 TYR 27 19.933 4.975 5.146
218 HD1 TYR 27 HD1 TYR 27 16.788 6.409 6.112
219 HD2 TYR 27 HD2 TYR 27 19.834 6.529 3.083
220 HE1 TYR 27 HE1 TYR 27 15.979 8.637 5.385
221 HE2 TYR 27 HE2 TYR 27 19.024 8.757 2.357
222 HH TYR 27 HH TYR 27 17.749 10.675 3.377
223 H GLY 28 HN GLY 28 20.036 2.216 3.087
224 1HA GLY 28 HA2 GLY 28 21.127 0.393 4.360
225 2HA GLY 28 HA1 GLY 28 19.637 0.231 5.286
226 H ILE 29 HN ILE 29 17.941 0.525 2.854
227 HA ILE 29 HA ILE 29 18.034 -2.287 2.014
228 HB ILE 29 HB ILE 29 15.895 -1.750 0.954
229 1HG1 ILE 29 HG12 ILE 29 16.454 1.140 1.703
230 2HG1 ILE 29 HG11 ILE 29 16.606 0.489 0.070
231 1HG2 ILE 29 HG21 ILE 29 16.169 -0.366 3.636
232 2HG2 ILE 29 HG22 ILE 29 15.927 -2.096 3.396
233 3HG2 ILE 29 HG23 ILE 29 14.667 -0.956 2.926
234 1HD1 ILE 29 HD11 ILE 29 14.178 -0.286 0.307
235 2HD1 ILE 29 HD12 ILE 29 14.427 1.454 0.167
236 3HD1 ILE 29 HD13 ILE 29 14.099 0.734 1.744
237 HA PRO 30 HA PRO 30 19.999 -1.668 -1.844
238 1HB PRO 30 HB2 PRO 30 18.692 -3.492 -3.419
239 2HB PRO 30 HB1 PRO 30 19.887 -3.935 -2.184
240 1HG PRO 30 HG2 PRO 30 16.940 -4.116 -2.113
241 2HG PRO 30 HG1 PRO 30 18.153 -5.129 -1.328
242 1HD PRO 30 HD2 PRO 30 16.657 -3.156 -0.071
243 2HD PRO 30 HD1 PRO 30 18.167 -3.850 0.547
244 H SER 31 HN SER 31 19.751 -0.685 -3.918
245 HA SER 31 HA SER 31 17.741 1.298 -4.182
246 1HB SER 31 HB2 SER 31 20.101 0.897 -5.286
247 2HB SER 31 HB1 SER 31 19.157 0.120 -6.554
248 HG SER 31 HG SER 31 19.003 2.138 -7.204
249 H SER 32 HN SER 32 17.877 -1.996 -5.561
250 HA SER 32 HA SER 32 15.631 -1.719 -7.325
251 1HB SER 32 HB2 SER 32 17.463 -3.561 -7.092
252 2HB SER 32 HB1 SER 32 16.395 -4.257 -5.877
253 HG SER 32 HG SER 32 16.004 -5.069 -8.001
254 H THR 33 HN THR 33 15.856 -2.865 -3.938
255 HA THR 33 HA THR 33 13.014 -3.357 -3.647
256 HB THR 33 HB THR 33 15.214 -2.736 -1.644
257 HG1 THR 33 HG1 THR 33 14.082 -5.218 -2.432
258 1HG2 THR 33 HG21 THR 33 13.466 -4.255 -0.267
259 2HG2 THR 33 HG22 THR 33 12.338 -3.430 -1.343
260 3HG2 THR 33 HG23 THR 33 13.388 -2.493 -0.281
261 H ALA 34 HN ALA 34 15.160 -0.610 -2.916
262 HA ALA 34 HA ALA 34 13.205 1.103 -1.721
263 1HB ALA 34 HB1 ALA 34 14.904 2.766 -1.972
264 2HB ALA 34 HB2 ALA 34 15.580 1.963 -3.389
265 3HB ALA 34 HB3 ALA 34 15.776 1.244 -1.790
266 H ARG 35 HN ARG 35 14.185 0.613 -5.120
267 HA ARG 35 HA ARG 35 12.668 2.774 -6.258
268 1HB ARG 35 HB2 ARG 35 14.497 1.427 -7.350
269 2HB ARG 35 HB1 ARG 35 13.376 0.071 -7.455
270 1HG ARG 35 HG2 ARG 35 11.884 1.335 -8.886
271 2HG ARG 35 HG1 ARG 35 12.837 2.802 -8.657
272 1HD ARG 35 HD2 ARG 35 13.609 2.005 -10.743
273 2HD ARG 35 HD1 ARG 35 14.812 1.343 -9.619
274 HE ARG 35 HE ARG 35 13.128 -0.697 -9.569
275 1HH1 ARG 35 HH21 ARG 35 11.505 0.410 -11.843
276 2HH1 ARG 35 HH22 ARG 35 12.218 -0.378 -13.210
277 1HH2 ARG 35 HH11 ARG 35 15.094 -1.319 -11.497
278 2HH2 ARG 35 HH12 ARG 35 14.258 -1.364 -13.013
279 H LEU 36 HN LEU 36 11.880 -0.651 -5.636
280 HA LEU 36 HA LEU 36 9.227 -0.618 -6.756
281 1HB LEU 36 HB2 LEU 36 10.926 -2.498 -5.844
282 2HB LEU 36 HB1 LEU 36 9.919 -2.333 -4.406
283 HG LEU 36 HG LEU 36 7.906 -2.587 -5.982
284 1HD1 LEU 36 HD11 LEU 36 8.893 -2.233 -8.123
285 2HD1 LEU 36 HD12 LEU 36 8.551 -3.961 -8.054
286 3HD1 LEU 36 HD13 LEU 36 10.195 -3.377 -7.796
287 1HD2 LEU 36 HD21 LEU 36 8.588 -4.377 -4.473
288 2HD2 LEU 36 HD22 LEU 36 9.870 -4.867 -5.580
289 3HD2 LEU 36 HD23 LEU 36 8.180 -5.079 -6.038
290 H CYS 37 HN CYS 37 10.506 0.053 -3.507
291 HA CYS 37 HA CYS 37 8.046 0.325 -2.087
292 1HB CYS 37 HB2 CYS 37 10.893 1.087 -1.826
293 2HB CYS 37 HB1 CYS 37 9.775 2.098 -0.919
294 H CYS 38 HN CYS 38 9.842 2.609 -4.138
295 HA CYS 38 HA CYS 38 8.182 4.912 -3.439
296 1HB CYS 38 HB2 CYS 38 10.495 5.175 -4.123
297 2HB CYS 38 HB1 CYS 38 10.202 4.297 -5.620
298 H PHE 39 HN PHE 39 8.346 2.554 -6.085
299 HA PHE 39 HA PHE 39 6.401 3.764 -7.812
300 1HB PHE 39 HB2 PHE 39 7.822 2.180 -8.784
301 2HB PHE 39 HB1 PHE 39 7.668 1.065 -7.430
302 HD1 PHE 39 HD1 PHE 39 6.179 -0.739 -7.555
303 HD2 PHE 39 HD2 PHE 39 5.671 2.605 -10.203
304 HE1 PHE 39 HE1 PHE 39 4.387 -1.962 -8.757
305 HE2 PHE 39 HE2 PHE 39 3.879 1.382 -11.404
306 HZ PHE 39 HZ PHE 39 3.237 -0.901 -10.680
307 H ARG 40 HN ARG 40 6.081 1.341 -5.207
308 HA ARG 40 HA ARG 40 3.141 1.251 -5.669
309 1HB ARG 40 HB2 ARG 40 5.246 -0.491 -4.567
310 2HB ARG 40 HB1 ARG 40 3.732 -0.532 -3.664
311 1HG ARG 40 HG2 ARG 40 3.556 -0.647 -6.641
312 2HG ARG 40 HG1 ARG 40 4.132 -2.089 -5.805
313 1HD ARG 40 HD2 ARG 40 1.755 -0.842 -4.559
314 2HD ARG 40 HD1 ARG 40 1.476 -1.511 -6.179
315 HE ARG 40 HE ARG 40 3.012 -3.435 -4.832
316 1HH1 ARG 40 HH11 ARG 40 0.158 -3.764 -5.893
317 2HH1 ARG 40 HH12 ARG 40 -0.675 -4.248 -4.454
318 1HH2 ARG 40 HH21 ARG 40 1.878 -3.233 -2.324
319 2HH2 ARG 40 HH22 ARG 40 0.304 -3.948 -2.424
320 H TYR 41 HN TYR 41 5.319 1.531 -2.812
321 HA TYR 41 HA TYR 41 3.138 2.550 -1.159
322 1HB TYR 41 HB2 TYR 41 6.111 2.167 -0.790
323 2HB TYR 41 HB1 TYR 41 5.065 2.778 0.488
324 HD1 TYR 41 HD1 TYR 41 3.622 1.316 1.720
325 HD2 TYR 41 HD2 TYR 41 5.707 -0.116 -1.753
326 HE1 TYR 41 HE1 TYR 41 2.963 -1.011 2.283
327 HE2 TYR 41 HE2 TYR 41 5.045 -2.439 -1.193
328 HH TYR 41 HH TYR 41 4.237 -3.513 1.515
329 H GLY 42 HN GLY 42 5.971 3.952 -2.773
330 1HA GLY 42 HA2 GLY 42 5.972 6.230 -3.586
331 2HA GLY 42 HA1 GLY 42 4.768 6.639 -2.371
332 H ASP 43 HN ASP 43 7.281 4.706 -1.074
333 HA ASP 43 HA ASP 43 8.503 7.139 0.161
334 1HB ASP 43 HB2 ASP 43 8.679 4.288 1.150
335 2HB ASP 43 HB1 ASP 43 8.926 5.764 2.065
336 H CYS 44 HN CYS 44 10.828 7.109 0.498
337 HA CYS 44 HA CYS 44 13.065 6.765 -0.166
338 1HB CYS 44 HB2 CYS 44 12.069 4.092 -1.172
339 2HB CYS 44 HB1 CYS 44 13.690 4.485 -0.632
340 H CYS 45 HN CYS 45 11.270 8.105 -1.959
341 HA CYS 45 HA CYS 45 11.705 7.094 -4.679
342 1HB CYS 45 HB2 CYS 45 10.505 9.568 -3.413
343 2HB CYS 45 HB1 CYS 45 10.617 9.377 -5.160
344 H HIS 46 HN HIS 46 12.618 10.113 -2.984
345 HA HIS 46 HA HIS 46 14.827 10.545 -4.912
346 1HB HIS 46 HB2 HIS 46 13.391 12.125 -2.788
347 2HB HIS 46 HB1 HIS 46 14.954 12.686 -3.381
348 HD1 HIS 46 HD1 HIS 46 15.113 13.197 -5.992
349 HD2 HIS 46 HD2 HIS 46 11.254 12.536 -4.557
350 HE1 HIS 46 HE1 HIS 46 13.529 14.025 -7.787
351 H LEU 47 HN LEU 47 16.247 8.817 -4.195
352 HA LEU 47 HA LEU 47 17.406 9.174 -1.453
353 1HB LEU 47 HB2 LEU 47 16.551 6.911 -3.082
354 2HB LEU 47 HB1 LEU 47 18.215 6.715 -2.532
355 HG LEU 47 HG LEU 47 16.148 7.643 -0.567
356 1HD1 LEU 47 HD11 LEU 47 15.663 5.261 -0.026
357 2HD1 LEU 47 HD12 LEU 47 16.573 4.774 -1.455
358 3HD1 LEU 47 HD13 LEU 47 15.090 5.711 -1.632
359 1HD2 LEU 47 HD21 LEU 47 18.488 5.739 -0.276
360 2HD2 LEU 47 HD22 LEU 47 17.621 6.577 1.010
361 3HD2 LEU 47 HD23 LEU 47 18.645 7.487 -0.101
Start of MODEL 4
1 1H HIS 1 HT1 HIS 1 15.546 9.348 -1.219
2 2H HIS 1 HT2 HIS 1 16.031 7.738 -1.460
3 3H HIS 1 HT3 HIS 1 17.126 8.873 -0.826
4 HA HIS 1 HA HIS 1 14.683 7.824 0.518
5 1HB HIS 1 HB2 HIS 1 16.895 6.485 0.228
6 2HB HIS 1 HB1 HIS 1 17.580 7.651 1.361
7 HD1 HIS 1 HD1 HIS 1 14.817 5.059 1.127
8 HD2 HIS 1 HD2 HIS 1 16.872 7.231 4.033
9 HE1 HIS 1 HE1 HIS 1 14.092 4.126 3.367
10 H SER 2 HN SER 2 14.308 8.765 2.625
11 HA SER 2 HA SER 2 14.952 11.610 2.813
12 1HB SER 2 HB2 SER 2 13.638 11.261 5.007
13 2HB SER 2 HB1 SER 2 12.786 10.907 3.508
14 HG SER 2 HG SER 2 13.034 9.304 5.489
15 H SER 3 HN SER 3 16.331 12.593 4.326
16 HA SER 3 HA SER 3 18.111 12.814 5.851
17 1HB SER 3 HB2 SER 3 17.189 10.040 6.671
18 2HB SER 3 HB1 SER 3 18.227 11.098 7.619
19 HG SER 3 HG SER 3 15.998 11.226 8.212
20 H GLY 4 HN GLY 4 20.132 12.783 4.975
21 1HA GLY 4 HA2 GLY 4 21.072 10.552 3.353
22 2HA GLY 4 HA1 GLY 4 21.991 12.004 3.745
23 H TYR 5 HN TYR 5 21.047 8.814 4.931
24 HA TYR 5 HA TYR 5 23.166 9.011 7.043
25 1HB TYR 5 HB2 TYR 5 20.519 8.490 7.311
26 2HB TYR 5 HB1 TYR 5 21.120 6.851 7.064
27 HD1 TYR 5 HD1 TYR 5 22.715 5.835 8.637
28 HD2 TYR 5 HD2 TYR 5 21.142 9.782 9.276
29 HE1 TYR 5 HE1 TYR 5 23.521 5.778 10.980
30 HE2 TYR 5 HE2 TYR 5 21.949 9.724 11.619
31 HH TYR 5 HH TYR 5 22.484 7.523 13.323
32 H THR 6 HN THR 6 24.779 7.432 7.077
33 HA THR 6 HA THR 6 25.174 5.857 4.640
34 HB THR 6 HB THR 6 27.018 7.017 5.782
35 HG1 THR 6 HG1 THR 6 28.362 5.433 5.401
36 1HG2 THR 6 HG21 THR 6 25.805 5.964 8.126
37 2HG2 THR 6 HG22 THR 6 27.214 7.017 8.019
38 3HG2 THR 6 HG23 THR 6 27.421 5.266 8.023
39 H ARG 7 HN ARG 7 23.496 4.279 4.645
40 HA ARG 7 HA ARG 7 23.975 1.963 6.411
41 1HB ARG 7 HB2 ARG 7 22.034 3.950 6.979
42 2HB ARG 7 HB1 ARG 7 21.144 2.547 6.392
43 1HG ARG 7 HG2 ARG 7 21.703 1.269 8.198
44 2HG ARG 7 HG1 ARG 7 23.327 1.949 8.303
45 1HD ARG 7 HD2 ARG 7 22.663 3.351 9.950
46 2HD ARG 7 HD1 ARG 7 21.380 4.003 8.912
47 HE ARG 7 HE ARG 7 19.879 2.287 9.744
48 1HH1 ARG 7 HH21 ARG 7 21.513 3.348 12.202
49 2HH1 ARG 7 HH22 ARG 7 21.757 1.861 13.055
50 1HH2 ARG 7 HH11 ARG 7 20.847 -0.136 10.359
51 2HH2 ARG 7 HH12 ARG 7 21.378 -0.119 12.007
52 HA PRO 8 HA PRO 8 22.774 -0.035 2.658
53 1HB PRO 8 HB2 PRO 8 22.279 -2.544 3.630
54 2HB PRO 8 HB1 PRO 8 23.915 -1.887 3.428
55 1HG PRO 8 HG2 PRO 8 22.275 -2.155 5.890
56 2HG PRO 8 HG1 PRO 8 24.019 -2.352 5.667
57 1HD PRO 8 HD2 PRO 8 22.846 -0.120 6.747
58 2HD PRO 8 HD1 PRO 8 24.431 -0.126 5.944
59 H LEU 9 HN LEU 9 20.824 0.023 1.611
60 HA LEU 9 HA LEU 9 18.320 0.169 3.140
61 1HB LEU 9 HB2 LEU 9 19.168 0.447 0.256
62 2HB LEU 9 HB1 LEU 9 17.462 0.433 0.700
63 HG LEU 9 HG LEU 9 19.387 2.263 2.122
64 1HD1 LEU 9 HD11 LEU 9 18.566 4.020 0.446
65 2HD1 LEU 9 HD12 LEU 9 18.067 2.667 -0.568
66 3HD1 LEU 9 HD13 LEU 9 19.767 2.875 -0.149
67 1HD2 LEU 9 HD21 LEU 9 17.091 3.599 2.008
68 2HD2 LEU 9 HD22 LEU 9 17.336 2.333 3.211
69 3HD2 LEU 9 HD23 LEU 9 16.426 1.987 1.741
70 H ARG 10 HN ARG 10 16.906 -1.521 3.420
71 HA ARG 10 HA ARG 10 17.610 -4.199 2.536
72 1HB ARG 10 HB2 ARG 10 15.434 -2.857 4.108
73 2HB ARG 10 HB1 ARG 10 15.180 -4.515 3.564
74 1HG ARG 10 HG2 ARG 10 17.005 -5.338 4.800
75 2HG ARG 10 HG1 ARG 10 17.736 -3.740 4.958
76 1HD ARG 10 HD2 ARG 10 16.775 -4.203 7.104
77 2HD ARG 10 HD1 ARG 10 15.622 -3.108 6.317
78 HE ARG 10 HE ARG 10 15.220 -6.033 5.953
79 1HH1 ARG 10 HH21 ARG 10 13.088 -4.152 5.166
80 2HH1 ARG 10 HH22 ARG 10 12.025 -4.170 6.534
81 1HH2 ARG 10 HH11 ARG 10 14.380 -5.574 8.672
82 2HH2 ARG 10 HH12 ARG 10 12.761 -4.978 8.528
83 H LYS 11 HN LYS 11 17.548 -4.131 0.224
84 HA LYS 11 HA LYS 11 14.825 -4.352 -0.913
85 1HB LYS 11 HB2 LYS 11 15.459 -1.959 -1.055
86 2HB LYS 11 HB1 LYS 11 16.930 -2.407 -1.918
87 1HG LYS 11 HG2 LYS 11 15.353 -1.771 -3.601
88 2HG LYS 11 HG1 LYS 11 15.421 -3.533 -3.644
89 1HD LYS 11 HD2 LYS 11 13.444 -3.358 -1.907
90 2HD LYS 11 HD1 LYS 11 13.245 -1.747 -2.597
91 1HE LYS 11 HE2 LYS 11 13.604 -3.872 -4.622
92 2HE LYS 11 HE1 LYS 11 12.119 -4.020 -3.663
93 1HZ LYS 11 HZ1 LYS 11 13.066 -1.577 -5.074
94 2HZ LYS 11 HZ2 LYS 11 11.698 -1.646 -4.066
95 3HZ LYS 11 HZ3 LYS 11 11.736 -2.535 -5.514
96 HA PRO 12 HA PRO 12 17.499 -7.466 -2.802
97 1HB PRO 12 HB2 PRO 12 15.480 -9.213 -3.396
98 2HB PRO 12 HB1 PRO 12 16.209 -9.095 -1.784
99 1HG PRO 12 HG2 PRO 12 13.618 -8.056 -2.767
100 2HG PRO 12 HG1 PRO 12 14.064 -8.652 -1.163
101 1HD PRO 12 HD2 PRO 12 13.821 -5.984 -1.879
102 2HD PRO 12 HD1 PRO 12 14.692 -6.593 -0.457
103 H SER 13 HN SER 13 16.642 -8.880 -5.018
104 HA SER 13 HA SER 13 16.432 -6.770 -7.064
105 1HB SER 13 HB2 SER 13 16.958 -8.655 -8.572
106 2HB SER 13 HB1 SER 13 18.067 -8.627 -7.205
107 HG SER 13 HG SER 13 16.655 -10.641 -7.962
108 H ARG 14 HN ARG 14 14.845 -6.990 -8.844
109 HA ARG 14 HA ARG 14 12.691 -7.312 -9.736
110 1HB ARG 14 HB2 ARG 14 13.413 -9.706 -9.071
111 2HB ARG 14 HB1 ARG 14 12.359 -9.493 -7.675
112 1HG ARG 14 HG2 ARG 14 10.705 -8.646 -9.658
113 2HG ARG 14 HG1 ARG 14 11.659 -9.841 -10.534
114 1HD ARG 14 HD2 ARG 14 10.996 -11.602 -9.085
115 2HD ARG 14 HD1 ARG 14 10.426 -10.471 -7.841
116 HE ARG 14 HE ARG 14 9.112 -10.401 -10.513
117 1HH1 ARG 14 HH21 ARG 14 8.149 -8.990 -7.974
118 2HH1 ARG 14 HH22 ARG 14 6.832 -10.015 -7.505
119 1HH2 ARG 14 HH11 ARG 14 7.809 -12.648 -9.556
120 2HH2 ARG 14 HH12 ARG 14 6.639 -12.096 -8.405
121 HA PRO 15 HA PRO 15 10.361 -4.837 -6.868
122 1HB PRO 15 HB2 PRO 15 8.111 -4.545 -8.401
123 2HB PRO 15 HB1 PRO 15 9.612 -3.648 -8.706
124 1HG PRO 15 HG2 PRO 15 8.556 -6.084 -10.059
125 2HG PRO 15 HG1 PRO 15 9.365 -4.670 -10.754
126 1HD PRO 15 HD2 PRO 15 10.632 -7.029 -10.325
127 2HD PRO 15 HD1 PRO 15 11.462 -5.459 -10.258
128 H ILE 16 HN ILE 16 8.339 -5.036 -5.620
129 HA ILE 16 HA ILE 16 7.709 -7.788 -4.925
130 HB ILE 16 HB ILE 16 6.154 -6.666 -3.323
131 1HG1 ILE 16 HG12 ILE 16 7.116 -3.972 -4.128
132 2HG1 ILE 16 HG11 ILE 16 5.924 -4.710 -5.199
133 1HG2 ILE 16 HG21 ILE 16 8.323 -4.900 -2.801
134 2HG2 ILE 16 HG22 ILE 16 8.999 -6.360 -3.524
135 3HG2 ILE 16 HG23 ILE 16 8.006 -6.473 -2.071
136 1HD1 ILE 16 HD11 ILE 16 5.331 -4.952 -2.310
137 2HD1 ILE 16 HD12 ILE 16 4.255 -4.567 -3.653
138 3HD1 ILE 16 HD13 ILE 16 5.274 -3.311 -2.951
139 H PHE 17 HN PHE 17 5.240 -8.318 -4.637
140 HA PHE 17 HA PHE 17 4.055 -8.595 -7.224
141 1HB PHE 17 HB2 PHE 17 2.426 -9.813 -6.053
142 2HB PHE 17 HB1 PHE 17 3.814 -9.923 -4.979
143 HD1 PHE 17 HD1 PHE 17 0.456 -9.637 -4.837
144 HD2 PHE 17 HD2 PHE 17 3.913 -7.451 -3.517
145 HE1 PHE 17 HE1 PHE 17 -0.882 -8.613 -3.019
146 HE2 PHE 17 HE2 PHE 17 2.572 -6.427 -1.703
147 HZ PHE 17 HZ PHE 17 0.174 -7.008 -1.453
148 H ILE 18 HN ILE 18 1.745 -7.813 -7.685
149 HA ILE 18 HA ILE 18 1.686 -4.917 -7.691
150 HB ILE 18 HB ILE 18 -0.421 -5.244 -8.891
151 1HG1 ILE 18 HG12 ILE 18 -0.228 -8.187 -8.196
152 2HG1 ILE 18 HG11 ILE 18 -1.229 -7.059 -7.284
153 1HG2 ILE 18 HG21 ILE 18 1.210 -7.593 -9.787
154 2HG2 ILE 18 HG22 ILE 18 1.943 -5.990 -9.826
155 3HG2 ILE 18 HG23 ILE 18 0.473 -6.310 -10.746
156 1HD1 ILE 18 HD11 ILE 18 -2.289 -6.410 -9.521
157 2HD1 ILE 18 HD12 ILE 18 -2.681 -8.019 -8.915
158 3HD1 ILE 18 HD13 ILE 18 -1.485 -7.828 -10.197
159 H ARG 19 HN ARG 19 -0.562 -3.869 -7.038
160 HA ARG 19 HA ARG 19 -0.735 -3.833 -4.210
161 1HB ARG 19 HB2 ARG 19 -2.420 -2.231 -4.574
162 2HB ARG 19 HB1 ARG 19 -1.481 -2.152 -6.060
163 1HG ARG 19 HG2 ARG 19 -3.963 -3.866 -5.759
164 2HG ARG 19 HG1 ARG 19 -3.997 -2.219 -6.378
165 1HD ARG 19 HD2 ARG 19 -2.323 -2.917 -8.140
166 2HD ARG 19 HD1 ARG 19 -2.554 -4.592 -7.599
167 HE ARG 19 HE ARG 19 -4.969 -2.993 -8.306
168 1HH1 ARG 19 HH21 ARG 19 -5.257 -5.879 -7.831
169 2HH1 ARG 19 HH22 ARG 19 -5.188 -6.552 -9.425
170 1HH2 ARG 19 HH11 ARG 19 -3.785 -3.707 -10.843
171 2HH2 ARG 19 HH12 ARG 19 -4.348 -5.317 -11.137
172 HA PRO 20 HA PRO 20 -3.103 -7.458 -3.354
173 1HB PRO 20 HB2 PRO 20 -3.892 -6.773 -0.818
174 2HB PRO 20 HB1 PRO 20 -2.257 -7.347 -1.214
175 1HG PRO 20 HG2 PRO 20 -3.236 -4.572 -0.767
176 2HG PRO 20 HG1 PRO 20 -1.712 -5.322 -0.276
177 1HD PRO 20 HD2 PRO 20 -1.917 -3.661 -2.413
178 2HD PRO 20 HD1 PRO 20 -0.726 -4.970 -2.312
179 H ILE 21 HN ILE 21 -5.358 -7.955 -2.377
180 HA ILE 21 HA ILE 21 -7.365 -6.510 -3.882
181 HB ILE 21 HB ILE 21 -7.123 -8.900 -2.116
182 1HG1 ILE 21 HG12 ILE 21 -6.877 -8.899 -4.617
183 2HG1 ILE 21 HG11 ILE 21 -8.119 -9.991 -4.019
184 1HG2 ILE 21 HG21 ILE 21 -9.808 -7.638 -2.759
185 2HG2 ILE 21 HG22 ILE 21 -9.108 -7.810 -1.149
186 3HG2 ILE 21 HG23 ILE 21 -9.570 -9.242 -2.067
187 1HD1 ILE 21 HD11 ILE 21 -8.892 -7.191 -4.765
188 2HD1 ILE 21 HD12 ILE 21 -9.864 -8.662 -4.799
189 3HD1 ILE 21 HD13 ILE 21 -8.646 -8.381 -6.042
190 H GLY 22 HN GLY 22 -9.373 -5.696 -2.832
191 1HA GLY 22 HA2 GLY 22 -10.506 -4.797 -0.852
192 2HA GLY 22 HA1 GLY 22 -8.924 -4.516 -0.132
193 H CYS 23 HN CYS 23 -7.498 -3.109 -1.796
194 HA CYS 23 HA CYS 23 -8.800 -0.512 -1.927
195 1HB CYS 23 HB2 CYS 23 -6.146 -1.704 -2.655
196 2HB CYS 23 HB1 CYS 23 -6.514 -0.059 -3.149
197 H ASP 24 HN ASP 24 -8.167 -3.067 -4.268
198 HA ASP 24 HA ASP 24 -8.740 -1.399 -6.604
199 1HB ASP 24 HB2 ASP 24 -7.557 -3.878 -6.026
200 2HB ASP 24 HB1 ASP 24 -8.997 -4.277 -6.960
201 H VAL 25 HN VAL 25 -10.796 -2.266 -4.221
202 HA VAL 25 HA VAL 25 -13.113 -2.473 -6.062
203 HB VAL 25 HB VAL 25 -12.776 -4.156 -3.556
204 1HG1 VAL 25 HG11 VAL 25 -15.042 -4.153 -4.086
205 2HG1 VAL 25 HG12 VAL 25 -14.483 -5.543 -5.016
206 3HG1 VAL 25 HG13 VAL 25 -14.743 -3.993 -5.817
207 1HG2 VAL 25 HG21 VAL 25 -12.008 -4.764 -6.419
208 2HG2 VAL 25 HG22 VAL 25 -12.391 -6.046 -5.270
209 3HG2 VAL 25 HG23 VAL 25 -11.033 -4.964 -4.962
210 H CYS 26 HN CYS 26 -12.773 -0.094 -5.200
211 HA CYS 26 HA CYS 26 -13.241 0.782 -2.590
212 1HB CYS 26 HB2 CYS 26 -14.049 1.810 -5.311
213 2HB CYS 26 HB1 CYS 26 -14.409 2.732 -3.856
214 H TYR 27 HN TYR 27 -15.541 -0.711 -4.782
215 HA TYR 27 HA TYR 27 -17.789 -0.028 -2.938
216 1HB TYR 27 HB2 TYR 27 -17.974 -1.308 -5.669
217 2HB TYR 27 HB1 TYR 27 -19.206 -0.385 -4.818
218 HD1 TYR 27 HD1 TYR 27 -16.555 -0.245 -7.212
219 HD2 TYR 27 HD2 TYR 27 -18.679 2.116 -4.318
220 HE1 TYR 27 HE1 TYR 27 -15.762 1.825 -8.319
221 HE2 TYR 27 HE2 TYR 27 -17.884 4.187 -5.427
222 HH TYR 27 HH TYR 27 -15.619 4.657 -7.027
223 H GLY 28 HN GLY 28 -18.493 -1.625 -1.592
224 1HA GLY 28 HA2 GLY 28 -19.354 -3.939 -1.390
225 2HA GLY 28 HA1 GLY 28 -17.998 -4.466 -2.381
226 H ILE 29 HN ILE 29 -16.139 -2.613 -0.859
227 HA ILE 29 HA ILE 29 -15.484 -4.523 1.262
228 HB ILE 29 HB ILE 29 -13.477 -3.137 1.505
229 1HG1 ILE 29 HG12 ILE 29 -14.797 -1.236 -0.462
230 2HG1 ILE 29 HG11 ILE 29 -14.646 -0.936 1.269
231 1HG2 ILE 29 HG21 ILE 29 -13.581 -4.726 -0.374
232 2HG2 ILE 29 HG22 ILE 29 -12.625 -3.306 -0.795
233 3HG2 ILE 29 HG23 ILE 29 -14.273 -3.470 -1.400
234 1HD1 ILE 29 HD11 ILE 29 -12.418 -1.208 -0.761
235 2HD1 ILE 29 HD12 ILE 29 -12.134 -1.263 0.979
236 3HD1 ILE 29 HD13 ILE 29 -12.803 0.192 0.241
237 HA PRO 30 HA PRO 30 -17.226 -2.378 4.650
238 1HB PRO 30 HB2 PRO 30 -15.364 -2.852 6.607
239 2HB PRO 30 HB1 PRO 30 -16.499 -4.079 6.010
240 1HG PRO 30 HG2 PRO 30 -13.623 -3.723 5.429
241 2HG PRO 30 HG1 PRO 30 -14.584 -5.200 5.509
242 1HD PRO 30 HD2 PRO 30 -13.778 -3.952 3.171
243 2HD PRO 30 HD1 PRO 30 -15.115 -5.109 3.302
244 H SER 31 HN SER 31 -17.037 -0.466 5.967
245 HA SER 31 HA SER 31 -15.646 1.727 4.827
246 1HB SER 31 HB2 SER 31 -17.670 1.558 6.452
247 2HB SER 31 HB1 SER 31 -16.456 1.555 7.728
248 HG SER 31 HG SER 31 -17.367 3.663 6.919
249 H SER 32 HN SER 32 -14.740 -0.352 7.594
250 HA SER 32 HA SER 32 -12.464 1.150 8.452
251 1HB SER 32 HB2 SER 32 -13.740 -0.868 9.501
252 2HB SER 32 HB1 SER 32 -12.665 -1.863 8.524
253 HG SER 32 HG SER 32 -12.022 -1.190 10.786
254 H THR 33 HN THR 33 -12.728 -1.553 6.119
255 HA THR 33 HA THR 33 -9.908 -1.570 5.435
256 HB THR 33 HB THR 33 -12.392 -2.502 3.955
257 HG1 THR 33 HG1 THR 33 -10.543 -4.016 5.477
258 1HG2 THR 33 HG21 THR 33 -9.490 -2.676 3.354
259 2HG2 THR 33 HG22 THR 33 -10.872 -2.688 2.258
260 3HG2 THR 33 HG23 THR 33 -10.420 -4.157 3.123
261 H ALA 34 HN ALA 34 -12.811 -0.031 4.075
262 HA ALA 34 HA ALA 34 -11.589 1.133 1.763
263 1HB ALA 34 HB1 ALA 34 -13.621 2.570 1.827
264 2HB ALA 34 HB2 ALA 34 -13.943 2.014 3.470
265 3HB ALA 34 HB3 ALA 34 -14.016 0.877 2.123
266 H ARG 35 HN ARG 35 -11.971 2.327 5.112
267 HA ARG 35 HA ARG 35 -10.949 4.979 4.628
268 1HB ARG 35 HB2 ARG 35 -12.251 4.150 6.632
269 2HB ARG 35 HB1 ARG 35 -10.799 3.297 7.154
270 1HG ARG 35 HG2 ARG 35 -9.735 5.743 6.761
271 2HG ARG 35 HG1 ARG 35 -11.388 6.216 7.155
272 1HD ARG 35 HD2 ARG 35 -10.273 6.129 9.263
273 2HD ARG 35 HD1 ARG 35 -11.154 4.592 9.175
274 HE ARG 35 HE ARG 35 -8.697 4.075 7.947
275 1HH1 ARG 35 HH21 ARG 35 -7.663 6.104 9.938
276 2HH1 ARG 35 HH22 ARG 35 -7.258 5.095 11.285
277 1HH2 ARG 35 HH11 ARG 35 -9.113 2.382 10.145
278 2HH2 ARG 35 HH12 ARG 35 -8.085 2.979 11.406
279 H LEU 36 HN LEU 36 -9.396 1.928 5.637
280 HA LEU 36 HA LEU 36 -6.734 2.999 5.946
281 1HB LEU 36 HB2 LEU 36 -7.934 0.713 6.617
282 2HB LEU 36 HB1 LEU 36 -7.266 0.178 5.075
283 HG LEU 36 HG LEU 36 -5.048 1.265 5.973
284 1HD1 LEU 36 HD11 LEU 36 -6.376 2.169 7.999
285 2HD1 LEU 36 HD12 LEU 36 -4.824 1.399 8.327
286 3HD1 LEU 36 HD13 LEU 36 -6.324 0.514 8.605
287 1HD2 LEU 36 HD21 LEU 36 -5.296 -1.123 5.534
288 2HD2 LEU 36 HD22 LEU 36 -6.201 -1.336 7.033
289 3HD2 LEU 36 HD23 LEU 36 -4.490 -0.907 7.088
290 H CYS 37 HN CYS 37 -8.494 1.554 3.210
291 HA CYS 37 HA CYS 37 -6.326 1.375 1.353
292 1HB CYS 37 HB2 CYS 37 -9.279 1.348 1.372
293 2HB CYS 37 HB1 CYS 37 -8.571 1.888 -0.145
294 H CYS 38 HN CYS 38 -8.377 4.093 2.332
295 HA CYS 38 HA CYS 38 -7.405 5.857 0.187
296 1HB CYS 38 HB2 CYS 38 -9.675 6.076 1.015
297 2HB CYS 38 HB1 CYS 38 -9.107 6.211 2.677
298 H PHE 39 HN PHE 39 -6.871 5.347 3.654
299 HA PHE 39 HA PHE 39 -5.111 7.599 4.071
300 1HB PHE 39 HB2 PHE 39 -6.135 6.767 5.995
301 2HB PHE 39 HB1 PHE 39 -5.930 5.090 5.503
302 HD1 PHE 39 HD1 PHE 39 -4.168 3.814 6.377
303 HD2 PHE 39 HD2 PHE 39 -3.959 8.101 6.550
304 HE1 PHE 39 HE1 PHE 39 -2.106 3.659 7.745
305 HE2 PHE 39 HE2 PHE 39 -1.896 7.945 7.917
306 HZ PHE 39 HZ PHE 39 -0.969 5.724 8.514
307 H ARG 40 HN ARG 40 -4.564 4.194 3.198
308 HA ARG 40 HA ARG 40 -1.624 4.614 3.284
309 1HB ARG 40 HB2 ARG 40 -3.542 2.362 3.385
310 2HB ARG 40 HB1 ARG 40 -2.029 2.021 2.552
311 1HG ARG 40 HG2 ARG 40 -1.916 3.440 5.186
312 2HG ARG 40 HG1 ARG 40 -2.220 1.703 5.176
313 1HD ARG 40 HD2 ARG 40 -0.042 1.267 4.723
314 2HD ARG 40 HD1 ARG 40 -0.058 2.384 3.344
315 HE ARG 40 HE ARG 40 0.237 4.244 5.040
316 1HH1 ARG 40 HH11 ARG 40 -0.189 2.409 7.437
317 2HH1 ARG 40 HH12 ARG 40 1.437 2.195 7.991
318 1HH2 ARG 40 HH21 ARG 40 2.871 3.357 5.046
319 2HH2 ARG 40 HH22 ARG 40 3.177 2.733 6.632
320 H TYR 41 HN TYR 41 -3.973 3.223 0.936
321 HA TYR 41 HA TYR 41 -2.016 3.518 -1.237
322 1HB TYR 41 HB2 TYR 41 -4.864 2.525 -1.046
323 2HB TYR 41 HB1 TYR 41 -3.933 2.510 -2.540
324 HD1 TYR 41 HD1 TYR 41 -2.275 0.854 -2.958
325 HD2 TYR 41 HD2 TYR 41 -4.049 1.200 0.940
326 HE1 TYR 41 HE1 TYR 41 -1.229 -1.292 -2.293
327 HE2 TYR 41 HE2 TYR 41 -2.996 -0.944 1.608
328 HH TYR 41 HH TYR 41 -0.648 -2.250 0.541
329 H GLY 42 HN GLY 42 -5.049 5.046 -0.229
330 1HA GLY 42 HA2 GLY 42 -5.505 7.381 -0.716
331 2HA GLY 42 HA1 GLY 42 -4.482 7.253 -2.142
332 H ASP 43 HN ASP 43 -6.559 4.546 -1.781
333 HA ASP 43 HA ASP 43 -8.324 5.621 -3.938
334 1HB ASP 43 HB2 ASP 43 -8.219 2.728 -3.169
335 2HB ASP 43 HB1 ASP 43 -8.429 3.445 -4.756
336 H CYS 44 HN CYS 44 -10.620 5.028 -3.824
337 HA CYS 44 HA CYS 44 -12.699 4.883 -2.715
338 1HB CYS 44 HB2 CYS 44 -11.175 3.486 -0.512
339 2HB CYS 44 HB1 CYS 44 -12.838 3.223 -1.004
340 H CYS 45 HN CYS 45 -11.048 7.226 -2.291
341 HA CYS 45 HA CYS 45 -11.165 7.926 0.558
342 1HB CYS 45 HB2 CYS 45 -10.401 9.295 -2.028
343 2HB CYS 45 HB1 CYS 45 -10.430 10.170 -0.499
344 H HIS 46 HN HIS 46 -12.606 9.341 -2.401
345 HA HIS 46 HA HIS 46 -14.759 10.564 -0.771
346 1HB HIS 46 HB2 HIS 46 -13.481 10.939 -3.424
347 2HB HIS 46 HB1 HIS 46 -15.206 11.300 -3.363
348 HD1 HIS 46 HD1 HIS 46 -15.876 12.897 -1.176
349 HD2 HIS 46 HD2 HIS 46 -11.942 13.056 -2.550
350 HE1 HIS 46 HE1 HIS 46 -14.881 15.039 -0.259
351 H LEU 47 HN LEU 47 -15.903 8.558 -0.266
352 HA LEU 47 HA LEU 47 -17.316 7.335 -2.613
353 1HB LEU 47 HB2 LEU 47 -15.638 6.190 -0.718
354 2HB LEU 47 HB1 LEU 47 -17.246 5.824 -0.094
355 HG LEU 47 HG LEU 47 -17.649 5.229 -2.694
356 1HD1 LEU 47 HD11 LEU 47 -15.099 5.813 -2.966
357 2HD1 LEU 47 HD12 LEU 47 -15.758 4.398 -3.786
358 3HD1 LEU 47 HD13 LEU 47 -14.852 4.205 -2.285
359 1HD2 LEU 47 HD21 LEU 47 -16.306 3.369 -0.705
360 2HD2 LEU 47 HD22 LEU 47 -17.329 2.887 -2.058
361 3HD2 LEU 47 HD23 LEU 47 -18.023 3.771 -0.699
Start of MODEL 5
1 1H HIS 1 HT1 HIS 1 16.087 16.983 15.585
2 2H HIS 1 HT2 HIS 1 14.871 16.046 16.314
3 3H HIS 1 HT3 HIS 1 14.555 17.655 15.869
4 HA HIS 1 HA HIS 1 13.548 16.147 14.266
5 1HB HIS 1 HB2 HIS 1 14.623 18.407 13.738
6 2HB HIS 1 HB1 HIS 1 16.016 17.503 13.144
7 HD1 HIS 1 HD1 HIS 1 12.573 18.530 12.236
8 HD2 HIS 1 HD2 HIS 1 15.426 15.835 10.826
9 HE1 HIS 1 HE1 HIS 1 11.811 17.821 9.928
10 H SER 2 HN SER 2 13.677 14.122 13.354
11 HA SER 2 HA SER 2 16.261 12.975 12.526
12 1HB SER 2 HB2 SER 2 15.569 12.670 15.133
13 2HB SER 2 HB1 SER 2 14.737 11.280 14.441
14 HG SER 2 HG SER 2 16.603 10.362 14.124
15 H SER 3 HN SER 3 15.669 12.194 10.537
16 HA SER 3 HA SER 3 12.954 11.425 9.855
17 1HB SER 3 HB2 SER 3 15.600 10.955 8.444
18 2HB SER 3 HB1 SER 3 14.007 10.862 7.698
19 HG SER 3 HG SER 3 13.759 13.028 7.963
20 H GLY 4 HN GLY 4 12.105 9.331 9.598
21 1HA GLY 4 HA2 GLY 4 13.545 7.174 11.004
22 2HA GLY 4 HA1 GLY 4 11.859 7.126 10.493
23 H TYR 5 HN TYR 5 14.925 5.960 9.788
24 HA TYR 5 HA TYR 5 14.036 5.143 7.049
25 1HB TYR 5 HB2 TYR 5 16.265 5.584 6.227
26 2HB TYR 5 HB1 TYR 5 15.745 7.014 7.112
27 HD1 TYR 5 HD1 TYR 5 18.055 4.173 7.042
28 HD2 TYR 5 HD2 TYR 5 16.661 7.506 9.369
29 HE1 TYR 5 HE1 TYR 5 20.038 3.974 8.517
30 HE2 TYR 5 HE2 TYR 5 18.644 7.304 10.843
31 HH TYR 5 HH TYR 5 21.301 5.978 10.179
32 H THR 6 HN THR 6 14.420 2.989 6.548
33 HA THR 6 HA THR 6 16.108 1.347 8.374
34 HB THR 6 HB THR 6 13.201 0.800 7.671
35 HG1 THR 6 HG1 THR 6 13.032 2.191 9.266
36 1HG2 THR 6 HG21 THR 6 13.529 -1.001 9.454
37 2HG2 THR 6 HG22 THR 6 15.262 -0.723 9.274
38 3HG2 THR 6 HG23 THR 6 14.313 -1.296 7.902
39 H ARG 7 HN ARG 7 17.435 0.166 7.040
40 HA ARG 7 HA ARG 7 16.580 -0.352 4.244
41 1HB ARG 7 HB2 ARG 7 18.895 0.581 5.368
42 2HB ARG 7 HB1 ARG 7 19.277 -1.129 5.169
43 1HG ARG 7 HG2 ARG 7 18.062 -0.540 2.772
44 2HG ARG 7 HG1 ARG 7 18.916 0.963 3.127
45 1HD ARG 7 HD2 ARG 7 21.018 -0.057 3.060
46 2HD ARG 7 HD1 ARG 7 20.362 -1.658 3.458
47 HE ARG 7 HE ARG 7 19.484 -1.811 1.176
48 1HH1 ARG 7 HH11 ARG 7 22.464 -0.884 1.038
49 2HH1 ARG 7 HH12 ARG 7 22.357 0.277 -0.243
50 1HH2 ARG 7 HH21 ARG 7 18.886 0.468 -0.126
51 2HH2 ARG 7 HH22 ARG 7 20.321 1.046 -0.906
52 HA PRO 8 HA PRO 8 15.759 -4.554 5.506
53 1HB PRO 8 HB2 PRO 8 15.012 -5.473 3.043
54 2HB PRO 8 HB1 PRO 8 13.952 -4.483 4.065
55 1HG PRO 8 HG2 PRO 8 15.555 -3.708 1.692
56 2HG PRO 8 HG1 PRO 8 13.975 -3.122 2.231
57 1HD PRO 8 HD2 PRO 8 16.356 -1.772 2.574
58 2HD PRO 8 HD1 PRO 8 14.891 -1.507 3.544
59 H LEU 9 HN LEU 9 16.749 -6.648 5.140
60 HA LEU 9 HA LEU 9 19.495 -6.496 4.110
61 1HB LEU 9 HB2 LEU 9 18.606 -7.676 6.228
62 2HB LEU 9 HB1 LEU 9 18.006 -8.924 5.136
63 HG LEU 9 HG LEU 9 20.533 -8.719 4.210
64 1HD1 LEU 9 HD11 LEU 9 22.033 -8.548 6.218
65 2HD1 LEU 9 HD12 LEU 9 20.643 -7.994 7.153
66 3HD1 LEU 9 HD13 LEU 9 21.239 -7.028 5.803
67 1HD2 LEU 9 HD21 LEU 9 19.426 -10.788 4.953
68 2HD2 LEU 9 HD22 LEU 9 19.649 -10.315 6.638
69 3HD2 LEU 9 HD23 LEU 9 21.050 -10.686 5.633
70 H ARG 10 HN ARG 10 18.189 -6.015 1.911
71 HA ARG 10 HA ARG 10 18.658 -8.270 0.154
72 1HB ARG 10 HB2 ARG 10 16.090 -7.986 1.441
73 2HB ARG 10 HB1 ARG 10 15.894 -7.732 -0.293
74 1HG ARG 10 HG2 ARG 10 17.557 -10.040 0.671
75 2HG ARG 10 HG1 ARG 10 15.799 -10.175 0.693
76 1HD ARG 10 HD2 ARG 10 17.023 -9.112 -1.816
77 2HD ARG 10 HD1 ARG 10 17.229 -10.843 -1.485
78 HE ARG 10 HE ARG 10 14.620 -10.666 -0.989
79 1HH1 ARG 10 HH11 ARG 10 15.696 -11.258 -3.813
80 2HH1 ARG 10 HH12 ARG 10 14.732 -10.172 -4.757
81 1HH2 ARG 10 HH21 ARG 10 13.689 -8.301 -2.019
82 2HH2 ARG 10 HH22 ARG 10 13.593 -8.491 -3.738
83 H LYS 11 HN LYS 11 19.058 -7.422 -1.887
84 HA LYS 11 HA LYS 11 17.953 -4.717 -2.528
85 1HB LYS 11 HB2 LYS 11 20.762 -5.736 -2.395
86 2HB LYS 11 HB1 LYS 11 20.376 -4.561 -3.652
87 1HG LYS 11 HG2 LYS 11 19.647 -2.941 -2.045
88 2HG LYS 11 HG1 LYS 11 19.654 -4.132 -0.744
89 1HD LYS 11 HD2 LYS 11 21.666 -2.975 -0.390
90 2HD LYS 11 HD1 LYS 11 22.187 -4.388 -1.308
91 1HE LYS 11 HE2 LYS 11 21.927 -2.959 -3.418
92 2HE LYS 11 HE1 LYS 11 21.772 -1.563 -2.333
93 1HZ LYS 11 HZ1 LYS 11 23.858 -2.158 -1.291
94 2HZ LYS 11 HZ2 LYS 11 24.095 -1.974 -2.963
95 3HZ LYS 11 HZ3 LYS 11 24.006 -3.527 -2.282
96 HA PRO 12 HA PRO 12 17.188 -7.554 -6.045
97 1HB PRO 12 HB2 PRO 12 14.651 -6.669 -6.556
98 2HB PRO 12 HB1 PRO 12 15.014 -7.909 -5.342
99 1HG PRO 12 HG2 PRO 12 14.360 -5.046 -4.982
100 2HG PRO 12 HG1 PRO 12 13.991 -6.430 -3.946
101 1HD PRO 12 HD2 PRO 12 16.020 -4.587 -3.513
102 2HD PRO 12 HD1 PRO 12 15.914 -6.197 -2.773
103 H SER 13 HN SER 13 15.753 -6.556 -8.204
104 HA SER 13 HA SER 13 17.529 -4.423 -9.194
105 1HB SER 13 HB2 SER 13 16.921 -6.515 -10.452
106 2HB SER 13 HB1 SER 13 15.258 -5.940 -10.523
107 HG SER 13 HG SER 13 15.976 -5.029 -12.297
108 H ARG 14 HN ARG 14 15.760 -3.182 -11.017
109 HA ARG 14 HA ARG 14 14.664 -1.028 -9.559
110 1HB ARG 14 HB2 ARG 14 15.212 -1.235 -12.030
111 2HB ARG 14 HB1 ARG 14 13.694 -2.112 -12.221
112 1HG ARG 14 HG2 ARG 14 12.393 -0.227 -11.625
113 2HG ARG 14 HG1 ARG 14 13.775 0.607 -10.912
114 1HD ARG 14 HD2 ARG 14 13.529 1.697 -12.997
115 2HD ARG 14 HD1 ARG 14 14.770 0.479 -13.348
116 HE ARG 14 HE ARG 14 12.439 -0.898 -13.835
117 1HH1 ARG 14 HH21 ARG 14 11.092 1.708 -14.392
118 2HH1 ARG 14 HH22 ARG 14 11.384 1.925 -16.085
119 1HH2 ARG 14 HH11 ARG 14 13.940 -0.426 -16.214
120 2HH2 ARG 14 HH12 ARG 14 13.002 0.713 -17.120
121 HA PRO 15 HA PRO 15 11.072 -3.090 -7.860
122 1HB PRO 15 HB2 PRO 15 10.034 -0.891 -6.603
123 2HB PRO 15 HB1 PRO 15 11.399 -1.824 -5.957
124 1HG PRO 15 HG2 PRO 15 11.404 0.754 -7.445
125 2HG PRO 15 HG1 PRO 15 12.399 0.241 -6.073
126 1HD PRO 15 HD2 PRO 15 13.294 0.262 -8.644
127 2HD PRO 15 HD1 PRO 15 13.905 -0.855 -7.403
128 H ILE 16 HN ILE 16 8.700 -2.814 -8.034
129 HA ILE 16 HA ILE 16 7.880 -1.943 -10.688
130 HB ILE 16 HB ILE 16 6.294 -2.871 -8.265
131 1HG1 ILE 16 HG12 ILE 16 6.736 -4.784 -10.434
132 2HG1 ILE 16 HG11 ILE 16 8.246 -4.263 -9.690
133 1HG2 ILE 16 HG21 ILE 16 4.776 -3.720 -10.199
134 2HG2 ILE 16 HG22 ILE 16 5.633 -2.537 -11.187
135 3HG2 ILE 16 HG23 ILE 16 4.711 -2.008 -9.779
136 1HD1 ILE 16 HD11 ILE 16 7.404 -6.200 -8.481
137 2HD1 ILE 16 HD12 ILE 16 5.837 -5.420 -8.259
138 3HD1 ILE 16 HD13 ILE 16 7.265 -4.778 -7.447
139 H PHE 17 HN PHE 17 5.950 -0.447 -10.960
140 HA PHE 17 HA PHE 17 6.413 2.160 -9.967
141 1HB PHE 17 HB2 PHE 17 4.006 0.753 -11.146
142 2HB PHE 17 HB1 PHE 17 4.004 2.481 -10.806
143 HD1 PHE 17 HD1 PHE 17 5.014 -0.091 -13.114
144 HD2 PHE 17 HD2 PHE 17 5.850 3.929 -11.848
145 HE1 PHE 17 HE1 PHE 17 6.208 0.333 -15.245
146 HE2 PHE 17 HE2 PHE 17 7.046 4.351 -13.980
147 HZ PHE 17 HZ PHE 17 7.225 2.552 -15.677
148 H ILE 18 HN ILE 18 5.273 3.415 -8.386
149 HA ILE 18 HA ILE 18 4.625 2.053 -5.927
150 HB ILE 18 HB ILE 18 4.147 4.316 -5.127
151 1HG1 ILE 18 HG12 ILE 18 4.224 5.101 -8.059
152 2HG1 ILE 18 HG11 ILE 18 2.783 5.065 -7.047
153 1HG2 ILE 18 HG21 ILE 18 6.288 5.184 -5.401
154 2HG2 ILE 18 HG22 ILE 18 6.362 4.741 -7.106
155 3HG2 ILE 18 HG23 ILE 18 6.542 3.502 -5.865
156 1HD1 ILE 18 HD11 ILE 18 4.126 6.664 -5.485
157 2HD1 ILE 18 HD12 ILE 18 3.419 7.325 -6.959
158 3HD1 ILE 18 HD13 ILE 18 5.139 6.936 -6.903
159 H ARG 19 HN ARG 19 2.493 2.494 -4.774
160 HA ARG 19 HA ARG 19 0.245 1.884 -6.614
161 1HB ARG 19 HB2 ARG 19 -0.587 0.588 -4.880
162 2HB ARG 19 HB1 ARG 19 1.130 0.517 -4.504
163 1HG ARG 19 HG2 ARG 19 -0.710 2.607 -3.311
164 2HG ARG 19 HG1 ARG 19 -0.422 1.047 -2.549
165 1HD ARG 19 HD2 ARG 19 2.070 1.570 -2.650
166 2HD ARG 19 HD1 ARG 19 1.612 3.225 -3.099
167 HE ARG 19 HE ARG 19 0.725 1.897 -0.560
168 1HH1 ARG 19 HH21 ARG 19 -0.723 4.367 -1.660
169 2HH1 ARG 19 HH22 ARG 19 0.038 5.626 -0.749
170 1HH2 ARG 19 HH11 ARG 19 2.695 3.631 0.276
171 2HH2 ARG 19 HH12 ARG 19 1.981 5.206 0.360
172 HA PRO 20 HA PRO 20 -1.643 5.784 -5.918
173 1HB PRO 20 HB2 PRO 20 -4.288 5.088 -6.111
174 2HB PRO 20 HB1 PRO 20 -3.200 5.200 -7.509
175 1HG PRO 20 HG2 PRO 20 -4.118 2.796 -6.016
176 2HG PRO 20 HG1 PRO 20 -3.864 3.017 -7.752
177 1HD PRO 20 HD2 PRO 20 -2.090 1.730 -6.138
178 2HD PRO 20 HD1 PRO 20 -1.621 2.599 -7.613
179 H ILE 21 HN ILE 21 -3.525 6.774 -4.557
180 HA ILE 21 HA ILE 21 -3.117 5.983 -1.759
181 HB ILE 21 HB ILE 21 -4.099 8.295 -3.357
182 1HG1 ILE 21 HG12 ILE 21 -1.780 7.986 -2.389
183 2HG1 ILE 21 HG11 ILE 21 -2.576 9.495 -1.964
184 1HG2 ILE 21 HG21 ILE 21 -4.906 7.917 -0.456
185 2HG2 ILE 21 HG22 ILE 21 -6.007 7.957 -1.833
186 3HG2 ILE 21 HG23 ILE 21 -5.096 9.400 -1.390
187 1HD1 ILE 21 HD11 ILE 21 -1.401 8.069 -0.087
188 2HD1 ILE 21 HD12 ILE 21 -2.888 7.124 -0.152
189 3HD1 ILE 21 HD13 ILE 21 -2.952 8.841 0.243
190 H GLY 22 HN GLY 22 -5.065 5.972 -0.296
191 1HA GLY 22 HA2 GLY 22 -7.455 5.591 0.029
192 2HA GLY 22 HA1 GLY 22 -7.523 4.898 -1.587
193 H CYS 23 HN CYS 23 -5.808 2.980 -1.764
194 HA CYS 23 HA CYS 23 -6.735 0.876 -0.024
195 1HB CYS 23 HB2 CYS 23 -4.725 1.245 -2.205
196 2HB CYS 23 HB1 CYS 23 -4.652 -0.235 -1.261
197 H ASP 24 HN ASP 24 -3.913 2.985 0.077
198 HA ASP 24 HA ASP 24 -2.526 1.365 2.096
199 1HB ASP 24 HB2 ASP 24 -1.782 3.170 0.209
200 2HB ASP 24 HB1 ASP 24 -1.818 4.209 1.632
201 H VAL 25 HN VAL 25 -5.318 2.948 2.426
202 HA VAL 25 HA VAL 25 -4.728 3.819 5.201
203 HB VAL 25 HB VAL 25 -6.462 5.380 3.257
204 1HG1 VAL 25 HG11 VAL 25 -7.045 6.084 5.393
205 2HG1 VAL 25 HG12 VAL 25 -5.715 7.187 5.040
206 3HG1 VAL 25 HG13 VAL 25 -5.439 5.768 6.049
207 1HG2 VAL 25 HG21 VAL 25 -4.456 7.007 3.295
208 2HG2 VAL 25 HG22 VAL 25 -4.297 5.568 2.288
209 3HG2 VAL 25 HG23 VAL 25 -3.509 5.633 3.864
210 H CYS 26 HN CYS 26 -5.745 1.463 5.062
211 HA CYS 26 HA CYS 26 -8.396 0.865 4.441
212 1HB CYS 26 HB2 CYS 26 -6.584 0.044 6.720
213 2HB CYS 26 HB1 CYS 26 -8.155 -0.708 6.472
214 H TYR 27 HN TYR 27 -7.215 2.863 7.081
215 HA TYR 27 HA TYR 27 -9.962 3.008 8.240
216 1HB TYR 27 HB2 TYR 27 -7.350 4.055 9.362
217 2HB TYR 27 HB1 TYR 27 -8.849 3.770 10.238
218 HD1 TYR 27 HD1 TYR 27 -5.704 2.381 9.308
219 HD2 TYR 27 HD2 TYR 27 -9.768 1.314 10.207
220 HE1 TYR 27 HE1 TYR 27 -4.990 0.053 9.779
221 HE2 TYR 27 HE2 TYR 27 -9.052 -1.013 10.677
222 HH TYR 27 HH TYR 27 -6.474 -2.020 11.467
223 H GLY 28 HN GLY 28 -11.138 4.809 7.788
224 1HA GLY 28 HA2 GLY 28 -11.230 7.294 7.841
225 2HA GLY 28 HA1 GLY 28 -9.683 7.300 6.999
226 H ILE 29 HN ILE 29 -10.541 5.058 5.203
227 HA ILE 29 HA ILE 29 -11.857 6.723 3.186
228 HB ILE 29 HB ILE 29 -11.427 4.801 1.726
229 1HG1 ILE 29 HG12 ILE 29 -10.533 3.344 4.237
230 2HG1 ILE 29 HG11 ILE 29 -12.058 3.049 3.401
231 1HG2 ILE 29 HG21 ILE 29 -9.550 6.306 2.256
232 2HG2 ILE 29 HG22 ILE 29 -8.987 4.654 2.004
233 3HG2 ILE 29 HG23 ILE 29 -9.129 5.299 3.640
234 1HD1 ILE 29 HD11 ILE 29 -9.254 2.584 2.364
235 2HD1 ILE 29 HD12 ILE 29 -10.662 2.615 1.302
236 3HD1 ILE 29 HD13 ILE 29 -10.543 1.399 2.574
237 HA PRO 30 HA PRO 30 -15.947 5.280 3.698
238 1HB PRO 30 HB2 PRO 30 -16.825 5.156 1.103
239 2HB PRO 30 HB1 PRO 30 -16.591 6.672 1.995
240 1HG PRO 30 HG2 PRO 30 -14.902 5.420 -0.079
241 2HG PRO 30 HG1 PRO 30 -15.157 7.126 0.291
242 1HD PRO 30 HD2 PRO 30 -12.919 5.660 1.010
243 2HD PRO 30 HD1 PRO 30 -13.428 7.182 1.764
244 H SER 31 HN SER 31 -17.336 3.443 3.486
245 HA SER 31 HA SER 31 -16.123 0.891 3.481
246 1HB SER 31 HB2 SER 31 -18.346 1.639 4.429
247 2HB SER 31 HB1 SER 31 -18.995 1.580 2.795
248 HG SER 31 HG SER 31 -18.810 -0.570 2.783
249 H SER 32 HN SER 32 -17.859 2.559 0.837
250 HA SER 32 HA SER 32 -17.824 0.398 -1.035
251 1HB SER 32 HB2 SER 32 -19.025 2.736 -0.990
252 2HB SER 32 HB1 SER 32 -17.576 3.296 -1.821
253 HG SER 32 HG SER 32 -19.419 2.473 -3.134
254 H THR 33 HN THR 33 -15.503 3.090 -0.557
255 HA THR 33 HA THR 33 -13.698 2.266 -2.657
256 HB THR 33 HB THR 33 -13.272 3.839 -0.095
257 HG1 THR 33 HG1 THR 33 -13.678 4.764 -2.745
258 1HG2 THR 33 HG21 THR 33 -11.474 4.848 -1.849
259 2HG2 THR 33 HG22 THR 33 -11.498 3.165 -2.376
260 3HG2 THR 33 HG23 THR 33 -11.088 3.560 -0.707
261 H ALA 34 HN ALA 34 -13.883 1.588 0.834
262 HA ALA 34 HA ALA 34 -11.461 0.100 1.092
263 1HB ALA 34 HB1 ALA 34 -14.125 -0.129 2.535
264 2HB ALA 34 HB2 ALA 34 -12.819 0.977 2.958
265 3HB ALA 34 HB3 ALA 34 -12.592 -0.764 3.133
266 H ARG 35 HN ARG 35 -14.778 -0.938 0.226
267 HA ARG 35 HA ARG 35 -14.241 -3.758 0.128
268 1HB ARG 35 HB2 ARG 35 -16.241 -1.948 -1.268
269 2HB ARG 35 HB1 ARG 35 -16.274 -3.702 -1.430
270 1HG ARG 35 HG2 ARG 35 -16.031 -2.941 1.361
271 2HG ARG 35 HG1 ARG 35 -17.447 -2.190 0.627
272 1HD ARG 35 HD2 ARG 35 -18.550 -4.167 0.655
273 2HD ARG 35 HD1 ARG 35 -17.240 -4.943 -0.255
274 HE ARG 35 HE ARG 35 -16.043 -5.190 1.963
275 1HH1 ARG 35 HH11 ARG 35 -18.295 -3.433 3.263
276 2HH1 ARG 35 HH12 ARG 35 -19.116 -4.648 4.183
277 1HH2 ARG 35 HH21 ARG 35 -17.582 -7.302 2.537
278 2HH2 ARG 35 HH22 ARG 35 -18.711 -6.850 3.770
279 H LEU 36 HN LEU 36 -14.047 -1.217 -2.377
280 HA LEU 36 HA LEU 36 -13.294 -2.951 -4.552
281 1HB LEU 36 HB2 LEU 36 -14.095 -0.419 -4.359
282 2HB LEU 36 HB1 LEU 36 -12.360 -0.107 -4.322
283 HG LEU 36 HG LEU 36 -13.462 -1.946 -6.423
284 1HD1 LEU 36 HD11 LEU 36 -13.689 1.065 -6.346
285 2HD1 LEU 36 HD12 LEU 36 -14.930 -0.119 -6.757
286 3HD1 LEU 36 HD13 LEU 36 -13.600 0.188 -7.874
287 1HD2 LEU 36 HD21 LEU 36 -11.064 -0.197 -5.985
288 2HD2 LEU 36 HD22 LEU 36 -11.571 -0.534 -7.640
289 3HD2 LEU 36 HD23 LEU 36 -11.142 -1.861 -6.562
290 H CYS 37 HN CYS 37 -11.430 -1.133 -2.124
291 HA CYS 37 HA CYS 37 -8.805 -1.609 -3.164
292 1HB CYS 37 HB2 CYS 37 -10.115 -0.713 -0.677
293 2HB CYS 37 HB1 CYS 37 -8.546 -1.467 -0.428
294 H CYS 38 HN CYS 38 -10.982 -3.616 -1.237
295 HA CYS 38 HA CYS 38 -8.900 -5.604 -0.601
296 1HB CYS 38 HB2 CYS 38 -10.663 -5.116 1.001
297 2HB CYS 38 HB1 CYS 38 -11.906 -5.422 -0.207
298 H PHE 39 HN PHE 39 -11.663 -5.226 -2.790
299 HA PHE 39 HA PHE 39 -11.619 -7.896 -3.883
300 1HB PHE 39 HB2 PHE 39 -13.625 -6.683 -4.089
301 2HB PHE 39 HB1 PHE 39 -12.795 -5.217 -4.601
302 HD1 PHE 39 HD1 PHE 39 -13.668 -8.681 -5.675
303 HD2 PHE 39 HD2 PHE 39 -12.427 -4.755 -6.900
304 HE1 PHE 39 HE1 PHE 39 -14.018 -9.311 -8.047
305 HE2 PHE 39 HE2 PHE 39 -12.777 -5.385 -9.272
306 HZ PHE 39 HZ PHE 39 -13.572 -7.663 -9.846
307 H ARG 40 HN ARG 40 -10.082 -4.834 -4.858
308 HA ARG 40 HA ARG 40 -8.902 -6.167 -7.237
309 1HB ARG 40 HB2 ARG 40 -9.498 -3.411 -6.311
310 2HB ARG 40 HB1 ARG 40 -8.075 -3.589 -7.332
311 1HG ARG 40 HG2 ARG 40 -10.444 -5.082 -8.267
312 2HG ARG 40 HG1 ARG 40 -10.626 -3.328 -8.288
313 1HD ARG 40 HD2 ARG 40 -9.604 -3.569 -10.346
314 2HD ARG 40 HD1 ARG 40 -8.133 -3.540 -9.354
315 HE ARG 40 HE ARG 40 -8.860 -6.190 -9.254
316 1HH1 ARG 40 HH21 ARG 40 -10.259 -5.733 -11.880
317 2HH1 ARG 40 HH22 ARG 40 -9.010 -6.106 -13.020
318 1HH2 ARG 40 HH11 ARG 40 -6.453 -5.889 -10.670
319 2HH2 ARG 40 HH12 ARG 40 -6.841 -6.194 -12.331
320 H TYR 41 HN TYR 41 -7.665 -4.039 -4.603
321 HA TYR 41 HA TYR 41 -4.918 -4.901 -5.126
322 1HB TYR 41 HB2 TYR 41 -6.251 -3.150 -3.055
323 2HB TYR 41 HB1 TYR 41 -4.511 -3.407 -3.121
324 HD1 TYR 41 HD1 TYR 41 -3.146 -2.355 -4.786
325 HD2 TYR 41 HD2 TYR 41 -7.427 -2.040 -4.961
326 HE1 TYR 41 HE1 TYR 41 -2.945 -0.594 -6.519
327 HE2 TYR 41 HE2 TYR 41 -7.226 -0.282 -6.698
328 HH TYR 41 HH TYR 41 -4.928 0.228 -8.541
329 H GLY 42 HN GLY 42 -7.362 -5.520 -2.629
330 1HA GLY 42 HA2 GLY 42 -7.443 -7.638 -1.447
331 2HA GLY 42 HA1 GLY 42 -5.712 -7.814 -1.702
332 H ASP 43 HN ASP 43 -6.570 -4.633 -0.751
333 HA ASP 43 HA ASP 43 -5.558 -5.188 2.003
334 1HB ASP 43 HB2 ASP 43 -5.845 -2.439 0.835
335 2HB ASP 43 HB1 ASP 43 -4.633 -3.046 1.947
336 H CYS 44 HN CYS 44 -6.599 -4.007 3.779
337 HA CYS 44 HA CYS 44 -8.483 -3.302 5.016
338 1HB CYS 44 HB2 CYS 44 -9.583 -2.401 2.344
339 2HB CYS 44 HB1 CYS 44 -9.913 -1.712 3.924
340 H CYS 45 HN CYS 45 -8.390 -6.007 4.061
341 HA CYS 45 HA CYS 45 -11.098 -6.681 3.085
342 1HB CYS 45 HB2 CYS 45 -8.550 -8.188 3.717
343 2HB CYS 45 HB1 CYS 45 -10.035 -9.017 3.262
344 H HIS 46 HN HIS 46 -9.046 -7.776 5.810
345 HA HIS 46 HA HIS 46 -11.463 -8.518 7.353
346 1HB HIS 46 HB2 HIS 46 -8.474 -8.873 7.746
347 2HB HIS 46 HB1 HIS 46 -9.680 -9.465 8.887
348 HD1 HIS 46 HD1 HIS 46 -7.950 -10.368 5.795
349 HD2 HIS 46 HD2 HIS 46 -11.553 -11.404 7.620
350 HE1 HIS 46 HE1 HIS 46 -8.746 -12.488 4.660
351 H LEU 47 HN LEU 47 -12.193 -6.285 7.753
352 HA LEU 47 HA LEU 47 -10.548 -4.862 9.821
353 1HB LEU 47 HB2 LEU 47 -11.032 -3.990 7.318
354 2HB LEU 47 HB1 LEU 47 -12.502 -3.405 8.097
355 HG LEU 47 HG LEU 47 -9.813 -2.907 9.360
356 1HD1 LEU 47 HD11 LEU 47 -9.802 -0.704 8.176
357 2HD1 LEU 47 HD12 LEU 47 -11.155 -1.263 7.191
358 3HD1 LEU 47 HD13 LEU 47 -9.590 -2.069 7.079
359 1HD2 LEU 47 HD21 LEU 47 -12.536 -1.575 9.415
360 2HD2 LEU 47 HD22 LEU 47 -11.100 -0.869 10.157
361 3HD2 LEU 47 HD23 LEU 47 -11.726 -2.410 10.740
Start of MODEL 6
1 1H HIS 1 HT1 HIS 1 -11.568 5.754 14.773
2 2H HIS 1 HT2 HIS 1 -10.485 6.806 13.996
3 3H HIS 1 HT3 HIS 1 -10.054 5.185 14.267
4 HA HIS 1 HA HIS 1 -12.328 6.012 12.533
5 1HB HIS 1 HB2 HIS 1 -10.791 5.744 10.679
6 2HB HIS 1 HB1 HIS 1 -10.042 6.845 11.833
7 HD1 HIS 1 HD1 HIS 1 -7.914 6.045 13.039
8 HD2 HIS 1 HD2 HIS 1 -9.592 3.125 10.579
9 HE1 HIS 1 HE1 HIS 1 -6.218 4.170 12.891
10 H SER 2 HN SER 2 -12.740 4.127 10.970
11 HA SER 2 HA SER 2 -12.888 1.615 12.523
12 1HB SER 2 HB2 SER 2 -14.730 2.769 11.104
13 2HB SER 2 HB1 SER 2 -13.869 2.125 9.709
14 HG SER 2 HG SER 2 -15.609 0.880 11.214
15 H SER 3 HN SER 3 -11.175 0.215 12.374
16 HA SER 3 HA SER 3 -9.302 0.318 10.110
17 1HB SER 3 HB2 SER 3 -9.529 -1.404 12.597
18 2HB SER 3 HB1 SER 3 -8.169 -1.461 11.480
19 HG SER 3 HG SER 3 -7.521 0.465 12.152
20 H GLY 4 HN GLY 4 -10.342 -0.501 8.259
21 1HA GLY 4 HA2 GLY 4 -10.336 -3.162 7.598
22 2HA GLY 4 HA1 GLY 4 -11.915 -2.963 8.360
23 H TYR 5 HN TYR 5 -13.247 -3.109 6.546
24 HA TYR 5 HA TYR 5 -12.646 -1.797 4.029
25 1HB TYR 5 HB2 TYR 5 -14.709 -2.742 3.342
26 2HB TYR 5 HB1 TYR 5 -14.127 -3.861 4.569
27 HD1 TYR 5 HD1 TYR 5 -16.710 -1.465 3.655
28 HD2 TYR 5 HD2 TYR 5 -15.082 -3.770 6.896
29 HE1 TYR 5 HE1 TYR 5 -18.790 -1.109 4.957
30 HE2 TYR 5 HE2 TYR 5 -17.162 -3.410 8.196
31 HH TYR 5 HH TYR 5 -19.195 -1.191 7.832
32 H THR 6 HN THR 6 -13.086 0.297 3.441
33 HA THR 6 HA THR 6 -15.080 1.873 4.999
34 HB THR 6 HB THR 6 -12.220 2.748 4.462
35 HG1 THR 6 HG1 THR 6 -11.918 1.365 6.049
36 1HG2 THR 6 HG21 THR 6 -13.455 4.708 4.713
37 2HG2 THR 6 HG22 THR 6 -12.980 4.376 6.378
38 3HG2 THR 6 HG23 THR 6 -14.603 3.963 5.825
39 H ARG 7 HN ARG 7 -16.326 3.033 3.582
40 HA ARG 7 HA ARG 7 -17.071 4.033 1.583
41 1HB ARG 7 HB2 ARG 7 -15.017 5.393 2.403
42 2HB ARG 7 HB1 ARG 7 -14.152 4.605 1.085
43 1HG ARG 7 HG2 ARG 7 -16.062 5.400 -0.434
44 2HG ARG 7 HG1 ARG 7 -16.546 6.439 0.906
45 1HD ARG 7 HD2 ARG 7 -14.864 7.909 0.490
46 2HD ARG 7 HD1 ARG 7 -13.669 6.606 0.345
47 HE ARG 7 HE ARG 7 -15.519 6.710 -1.915
48 1HH1 ARG 7 HH11 ARG 7 -14.271 9.444 -1.774
49 2HH1 ARG 7 HH12 ARG 7 -12.842 9.238 -2.731
50 1HH2 ARG 7 HH21 ARG 7 -12.952 5.764 -2.610
51 2HH2 ARG 7 HH22 ARG 7 -12.092 7.143 -3.207
52 HA PRO 8 HA PRO 8 -15.783 0.311 -0.829
53 1HB PRO 8 HB2 PRO 8 -18.335 -0.424 -1.501
54 2HB PRO 8 HB1 PRO 8 -17.542 -0.927 0.005
55 1HG PRO 8 HG2 PRO 8 -19.538 1.232 -0.453
56 2HG PRO 8 HG1 PRO 8 -19.381 0.108 0.906
57 1HD PRO 8 HD2 PRO 8 -18.553 2.704 0.997
58 2HD PRO 8 HD1 PRO 8 -17.822 1.411 1.970
59 H LEU 9 HN LEU 9 -15.770 0.103 -3.118
60 HA LEU 9 HA LEU 9 -17.207 2.175 -4.706
61 1HB LEU 9 HB2 LEU 9 -14.742 2.682 -3.888
62 2HB LEU 9 HB1 LEU 9 -14.297 1.585 -5.192
63 HG LEU 9 HG LEU 9 -14.353 4.022 -5.853
64 1HD1 LEU 9 HD11 LEU 9 -16.493 2.680 -7.441
65 2HD1 LEU 9 HD12 LEU 9 -14.935 1.863 -7.323
66 3HD1 LEU 9 HD13 LEU 9 -15.028 3.493 -7.989
67 1HD2 LEU 9 HD21 LEU 9 -16.320 5.257 -5.846
68 2HD2 LEU 9 HD22 LEU 9 -16.559 4.276 -4.400
69 3HD2 LEU 9 HD23 LEU 9 -17.345 3.824 -5.912
70 H ARG 10 HN ARG 10 -17.995 1.307 -6.605
71 HA ARG 10 HA ARG 10 -17.697 -1.514 -7.181
72 1HB ARG 10 HB2 ARG 10 -19.678 0.036 -7.615
73 2HB ARG 10 HB1 ARG 10 -18.760 0.694 -8.969
74 1HG ARG 10 HG2 ARG 10 -18.510 -1.888 -9.588
75 2HG ARG 10 HG1 ARG 10 -20.002 -2.008 -8.654
76 1HD ARG 10 HD2 ARG 10 -21.113 -0.397 -10.090
77 2HD ARG 10 HD1 ARG 10 -19.597 -0.055 -10.948
78 HE ARG 10 HE ARG 10 -19.681 -2.649 -11.431
79 1HH1 ARG 10 HH21 ARG 10 -21.027 -0.974 -13.473
80 2HH1 ARG 10 HH22 ARG 10 -22.619 -1.653 -13.539
81 1HH2 ARG 10 HH11 ARG 10 -22.311 -3.327 -10.507
82 2HH2 ARG 10 HH12 ARG 10 -23.349 -2.991 -11.852
83 H LYS 11 HN LYS 11 -15.443 -1.874 -7.548
84 HA LYS 11 HA LYS 11 -14.475 -1.000 -10.223
85 1HB LYS 11 HB2 LYS 11 -13.723 0.535 -8.330
86 2HB LYS 11 HB1 LYS 11 -12.820 -0.837 -7.689
87 1HG LYS 11 HG2 LYS 11 -11.399 -0.931 -9.584
88 2HG LYS 11 HG1 LYS 11 -12.476 0.083 -10.545
89 1HD LYS 11 HD2 LYS 11 -10.752 1.565 -9.917
90 2HD LYS 11 HD1 LYS 11 -12.028 1.900 -8.747
91 1HE LYS 11 HE2 LYS 11 -10.145 1.673 -7.352
92 2HE LYS 11 HE1 LYS 11 -10.802 0.025 -7.327
93 1HZ LYS 11 HZ1 LYS 11 -8.487 -0.094 -7.892
94 2HZ LYS 11 HZ2 LYS 11 -8.669 1.065 -9.121
95 3HZ LYS 11 HZ3 LYS 11 -9.387 -0.466 -9.280
96 HA PRO 12 HA PRO 12 -13.530 -5.386 -9.744
97 1HB PRO 12 HB2 PRO 12 -13.449 -5.946 -12.417
98 2HB PRO 12 HB1 PRO 12 -14.964 -5.822 -11.502
99 1HG PRO 12 HG2 PRO 12 -13.740 -3.914 -13.392
100 2HG PRO 12 HG1 PRO 12 -15.443 -4.198 -13.012
101 1HD PRO 12 HD2 PRO 12 -13.872 -2.089 -12.071
102 2HD PRO 12 HD1 PRO 12 -15.451 -2.585 -11.433
103 H SER 13 HN SER 13 -11.761 -6.761 -10.902
104 HA SER 13 HA SER 13 -9.449 -7.120 -11.183
105 1HB SER 13 HB2 SER 13 -10.507 -5.706 -13.237
106 2HB SER 13 HB1 SER 13 -9.265 -4.578 -12.710
107 HG SER 13 HG SER 13 -8.906 -6.616 -14.241
108 H ARG 14 HN ARG 14 -10.252 -5.459 -8.839
109 HA ARG 14 HA ARG 14 -7.681 -4.632 -7.900
110 1HB ARG 14 HB2 ARG 14 -8.966 -2.830 -9.690
111 2HB ARG 14 HB1 ARG 14 -9.078 -2.114 -8.084
112 1HG ARG 14 HG2 ARG 14 -6.811 -1.828 -7.900
113 2HG ARG 14 HG1 ARG 14 -6.449 -3.296 -8.808
114 1HD ARG 14 HD2 ARG 14 -7.450 -1.938 -10.846
115 2HD ARG 14 HD1 ARG 14 -7.037 -0.534 -9.841
116 HE ARG 14 HE ARG 14 -4.713 -1.190 -9.930
117 1HH1 ARG 14 HH21 ARG 14 -4.888 -4.122 -9.839
118 2HH1 ARG 14 HH22 ARG 14 -4.502 -4.595 -11.460
119 1HH2 ARG 14 HH11 ARG 14 -5.079 -1.437 -12.795
120 2HH2 ARG 14 HH12 ARG 14 -4.612 -3.068 -13.141
121 HA PRO 15 HA PRO 15 -10.166 -4.740 -4.235
122 1HB PRO 15 HB2 PRO 15 -8.418 -3.597 -2.471
123 2HB PRO 15 HB1 PRO 15 -8.228 -5.250 -3.086
124 1HG PRO 15 HG2 PRO 15 -6.827 -2.758 -3.896
125 2HG PRO 15 HG1 PRO 15 -6.207 -4.410 -3.762
126 1HD PRO 15 HD2 PRO 15 -6.878 -3.208 -6.132
127 2HD PRO 15 HD1 PRO 15 -6.873 -4.965 -5.871
128 H ILE 16 HN ILE 16 -11.282 -3.292 -2.749
129 HA ILE 16 HA ILE 16 -12.148 -0.805 -3.853
130 HB ILE 16 HB ILE 16 -12.240 -2.035 -1.081
131 1HG1 ILE 16 HG12 ILE 16 -14.488 -1.631 -3.064
132 2HG1 ILE 16 HG11 ILE 16 -13.457 -3.061 -3.109
133 1HG2 ILE 16 HG21 ILE 16 -13.610 0.466 -2.116
134 2HG2 ILE 16 HG22 ILE 16 -12.470 0.362 -0.775
135 3HG2 ILE 16 HG23 ILE 16 -14.067 -0.368 -0.631
136 1HD1 ILE 16 HD11 ILE 16 -15.223 -3.766 -1.740
137 2HD1 ILE 16 HD12 ILE 16 -15.381 -2.189 -0.967
138 3HD1 ILE 16 HD13 ILE 16 -14.023 -3.238 -0.560
139 H PHE 17 HN PHE 17 -11.619 1.376 -3.239
140 HA PHE 17 HA PHE 17 -10.216 3.144 -2.555
141 1HB PHE 17 HB2 PHE 17 -10.773 2.314 -0.342
142 2HB PHE 17 HB1 PHE 17 -9.587 1.020 -0.476
143 HD1 PHE 17 HD1 PHE 17 -9.891 4.756 -0.460
144 HD2 PHE 17 HD2 PHE 17 -7.384 1.342 0.258
145 HE1 PHE 17 HE1 PHE 17 -8.151 6.235 0.509
146 HE2 PHE 17 HE2 PHE 17 -5.645 2.822 1.223
147 HZ PHE 17 HZ PHE 17 -6.028 5.268 1.350
148 H ILE 18 HN ILE 18 -7.867 3.774 -2.464
149 HA ILE 18 HA ILE 18 -6.310 2.399 -4.483
150 HB ILE 18 HB ILE 18 -4.641 4.145 -3.934
151 1HG1 ILE 18 HG12 ILE 18 -6.508 5.099 -1.759
152 2HG1 ILE 18 HG11 ILE 18 -5.197 3.975 -1.405
153 1HG2 ILE 18 HG21 ILE 18 -7.425 5.327 -3.829
154 2HG2 ILE 18 HG22 ILE 18 -6.726 4.637 -5.294
155 3HG2 ILE 18 HG23 ILE 18 -5.976 6.042 -4.537
156 1HD1 ILE 18 HD11 ILE 18 -4.295 6.150 -1.018
157 2HD1 ILE 18 HD12 ILE 18 -4.987 6.780 -2.513
158 3HD1 ILE 18 HD13 ILE 18 -3.645 5.638 -2.576
159 H ARG 19 HN ARG 19 -3.754 2.245 -3.692
160 HA ARG 19 HA ARG 19 -3.573 -0.181 -2.218
161 1HB ARG 19 HB2 ARG 19 -1.325 -0.020 -2.755
162 2HB ARG 19 HB1 ARG 19 -1.970 1.159 -3.889
163 1HG ARG 19 HG2 ARG 19 -0.627 2.716 -2.960
164 2HG ARG 19 HG1 ARG 19 -1.535 2.558 -1.463
165 1HD ARG 19 HD2 ARG 19 0.734 2.094 -0.864
166 2HD ARG 19 HD1 ARG 19 -0.041 0.503 -0.974
167 HE ARG 19 HE ARG 19 1.392 0.056 -2.792
168 1HH1 ARG 19 HH21 ARG 19 2.102 3.174 -1.879
169 2HH1 ARG 19 HH22 ARG 19 2.589 3.730 -3.444
170 1HH2 ARG 19 HH11 ARG 19 1.494 0.876 -5.092
171 2HH2 ARG 19 HH12 ARG 19 2.250 2.424 -5.265
172 HA PRO 20 HA PRO 20 -3.707 1.079 1.981
173 1HB PRO 20 HB2 PRO 20 -1.984 -0.737 3.108
174 2HB PRO 20 HB1 PRO 20 -3.627 -1.145 2.569
175 1HG PRO 20 HG2 PRO 20 -1.021 -1.603 1.204
176 2HG PRO 20 HG1 PRO 20 -2.444 -2.649 1.299
177 1HD PRO 20 HD2 PRO 20 -1.860 -1.164 -0.893
178 2HD PRO 20 HD1 PRO 20 -3.520 -1.569 -0.414
179 H ILE 21 HN ILE 21 -2.221 1.699 3.850
180 HA ILE 21 HA ILE 21 -0.248 3.616 2.948
181 HB ILE 21 HB ILE 21 -1.550 2.702 5.473
182 1HG1 ILE 21 HG12 ILE 21 -2.402 4.533 3.988
183 2HG1 ILE 21 HG11 ILE 21 -2.096 5.047 5.643
184 1HG2 ILE 21 HG21 ILE 21 0.971 4.392 5.482
185 2HG2 ILE 21 HG22 ILE 21 0.822 2.767 6.152
186 3HG2 ILE 21 HG23 ILE 21 -0.077 4.103 6.869
187 1HD1 ILE 21 HD11 ILE 21 -1.162 6.380 3.462
188 2HD1 ILE 21 HD12 ILE 21 0.204 5.317 3.796
189 3HD1 ILE 21 HD13 ILE 21 -0.377 6.424 5.040
190 H GLY 22 HN GLY 22 1.960 3.678 3.958
191 1HA GLY 22 HA2 GLY 22 3.887 2.509 4.896
192 2HA GLY 22 HA1 GLY 22 3.156 0.986 4.392
193 H CYS 23 HN CYS 23 2.656 1.060 1.878
194 HA CYS 23 HA CYS 23 5.179 1.131 0.495
195 1HB CYS 23 HB2 CYS 23 2.279 0.797 -0.193
196 2HB CYS 23 HB1 CYS 23 3.449 0.934 -1.496
197 H ASP 24 HN ASP 24 2.554 3.465 0.808
198 HA ASP 24 HA ASP 24 3.588 5.226 -1.299
199 1HB ASP 24 HB2 ASP 24 1.182 4.769 0.056
200 2HB ASP 24 HB1 ASP 24 1.691 6.361 0.606
201 H VAL 25 HN VAL 25 4.992 4.517 1.516
202 HA VAL 25 HA VAL 25 5.993 7.277 1.950
203 HB VAL 25 HB VAL 25 5.278 5.346 4.182
204 1HG1 VAL 25 HG11 VAL 25 6.762 6.931 5.050
205 2HG1 VAL 25 HG12 VAL 25 5.200 7.681 5.377
206 3HG1 VAL 25 HG13 VAL 25 6.163 8.214 3.998
207 1HG2 VAL 25 HG21 VAL 25 3.162 5.833 3.202
208 2HG2 VAL 25 HG22 VAL 25 3.613 7.505 2.868
209 3HG2 VAL 25 HG23 VAL 25 3.317 6.986 4.528
210 H CYS 26 HN CYS 26 7.518 5.826 0.467
211 HA CYS 26 HA CYS 26 9.126 3.727 1.346
212 1HB CYS 26 HB2 CYS 26 9.693 6.182 -0.328
213 2HB CYS 26 HB1 CYS 26 10.864 4.879 -0.164
214 H TYR 27 HN TYR 27 9.220 7.068 2.425
215 HA TYR 27 HA TYR 27 11.756 6.552 3.911
216 1HB TYR 27 HB2 TYR 27 10.288 9.173 3.554
217 2HB TYR 27 HB1 TYR 27 11.984 8.934 3.956
218 HD1 TYR 27 HD1 TYR 27 9.645 9.476 1.315
219 HD2 TYR 27 HD2 TYR 27 13.442 7.669 2.195
220 HE1 TYR 27 HE1 TYR 27 10.217 9.502 -1.096
221 HE2 TYR 27 HE2 TYR 27 14.013 7.696 -0.218
222 HH TYR 27 HH TYR 27 12.828 9.480 -2.366
223 H GLY 28 HN GLY 28 11.606 6.168 6.073
224 1HA GLY 28 HA2 GLY 28 10.764 6.951 8.270
225 2HA GLY 28 HA1 GLY 28 9.180 7.143 7.525
226 H ILE 29 HN ILE 29 9.505 4.534 6.042
227 HA ILE 29 HA ILE 29 8.500 2.821 8.206
228 HB ILE 29 HB ILE 29 7.912 1.317 6.373
229 1HG1 ILE 29 HG12 ILE 29 9.462 3.208 4.570
230 2HG1 ILE 29 HG11 ILE 29 10.039 1.623 5.086
231 1HG2 ILE 29 HG21 ILE 29 6.483 3.292 6.756
232 2HG2 ILE 29 HG22 ILE 29 6.498 2.830 5.054
233 3HG2 ILE 29 HG23 ILE 29 7.448 4.211 5.601
234 1HD1 ILE 29 HD11 ILE 29 8.789 0.578 3.532
235 2HD1 ILE 29 HD12 ILE 29 8.446 2.165 2.846
236 3HD1 ILE 29 HD13 ILE 29 7.339 1.455 4.021
237 HA PRO 30 HA PRO 30 12.143 0.488 8.843
238 1HB PRO 30 HB2 PRO 30 11.110 -2.008 9.313
239 2HB PRO 30 HB1 PRO 30 11.029 -0.674 10.479
240 1HG PRO 30 HG2 PRO 30 8.933 -1.767 8.710
241 2HG PRO 30 HG1 PRO 30 8.789 -1.022 10.302
242 1HD PRO 30 HD2 PRO 30 8.198 0.224 7.894
243 2HD PRO 30 HD1 PRO 30 8.518 1.056 9.427
244 H SER 31 HN SER 31 13.561 -1.079 7.875
245 HA SER 31 HA SER 31 13.473 -1.305 5.051
246 1HB SER 31 HB2 SER 31 15.388 -1.557 6.790
247 2HB SER 31 HB1 SER 31 14.899 -3.246 6.868
248 HG SER 31 HG SER 31 15.908 -1.764 4.687
249 H SER 32 HN SER 32 12.504 -3.678 7.550
250 HA SER 32 HA SER 32 11.968 -5.872 5.803
251 1HB SER 32 HB2 SER 32 12.053 -5.632 8.414
252 2HB SER 32 HB1 SER 32 10.341 -5.246 8.264
253 HG SER 32 HG SER 32 11.600 -7.636 8.095
254 H THR 33 HN THR 33 9.802 -3.265 6.972
255 HA THR 33 HA THR 33 7.475 -4.171 5.518
256 HB THR 33 HB THR 33 8.339 -1.430 6.507
257 HG1 THR 33 HG1 THR 33 6.588 -3.340 7.668
258 1HG2 THR 33 HG21 THR 33 6.565 -0.828 5.178
259 2HG2 THR 33 HG22 THR 33 5.657 -1.337 6.602
260 3HG2 THR 33 HG23 THR 33 5.840 -2.434 5.233
261 H ALA 34 HN ALA 34 10.091 -1.859 4.798
262 HA ALA 34 HA ALA 34 9.121 -0.944 2.270
263 1HB ALA 34 HB1 ALA 34 11.800 -0.720 2.036
264 2HB ALA 34 HB2 ALA 34 11.701 -1.047 3.767
265 3HB ALA 34 HB3 ALA 34 10.860 0.344 3.082
266 H ARG 35 HN ARG 35 11.164 -3.734 3.161
267 HA ARG 35 HA ARG 35 11.842 -4.600 0.520
268 1HB ARG 35 HB2 ARG 35 11.433 -6.065 3.151
269 2HB ARG 35 HB1 ARG 35 12.068 -6.850 1.709
270 1HG ARG 35 HG2 ARG 35 13.451 -4.343 2.230
271 2HG ARG 35 HG1 ARG 35 13.553 -5.434 3.612
272 1HD ARG 35 HD2 ARG 35 15.411 -6.026 2.226
273 2HD ARG 35 HD1 ARG 35 14.185 -7.262 1.879
274 HE ARG 35 HE ARG 35 13.688 -5.107 0.117
275 1HH1 ARG 35 HH21 ARG 35 16.685 -4.990 0.051
276 2HH1 ARG 35 HH22 ARG 35 17.061 -6.092 -1.232
277 1HH2 ARG 35 HH11 ARG 35 13.920 -7.583 -1.216
278 2HH2 ARG 35 HH12 ARG 35 15.485 -7.566 -1.955
279 H LEU 36 HN LEU 36 9.065 -5.432 2.613
280 HA LEU 36 HA LEU 36 7.819 -7.282 0.791
281 1HB LEU 36 HB2 LEU 36 7.465 -6.351 3.381
282 2HB LEU 36 HB1 LEU 36 6.059 -5.698 2.544
283 HG LEU 36 HG LEU 36 5.562 -7.923 3.470
284 1HD1 LEU 36 HD11 LEU 36 5.835 -8.155 0.466
285 2HD1 LEU 36 HD12 LEU 36 4.618 -7.140 1.238
286 3HD1 LEU 36 HD13 LEU 36 4.605 -8.884 1.499
287 1HD2 LEU 36 HD21 LEU 36 6.772 -9.884 2.831
288 2HD2 LEU 36 HD22 LEU 36 7.993 -8.693 3.277
289 3HD2 LEU 36 HD23 LEU 36 7.656 -9.016 1.576
290 H CYS 37 HN CYS 37 7.518 -3.771 1.269
291 HA CYS 37 HA CYS 37 5.318 -3.278 -0.492
292 1HB CYS 37 HB2 CYS 37 7.506 -1.809 0.852
293 2HB CYS 37 HB1 CYS 37 6.885 -1.035 -0.600
294 H CYS 38 HN CYS 38 8.817 -3.575 -1.098
295 HA CYS 38 HA CYS 38 8.625 -2.730 -3.892
296 1HB CYS 38 HB2 CYS 38 10.643 -2.369 -2.593
297 2HB CYS 38 HB1 CYS 38 10.748 -4.081 -2.193
298 H PHE 39 HN PHE 39 8.837 -5.812 -2.133
299 HA PHE 39 HA PHE 39 9.084 -7.529 -4.426
300 1HB PHE 39 HB2 PHE 39 9.719 -8.407 -2.338
301 2HB PHE 39 HB1 PHE 39 8.274 -7.796 -1.537
302 HD1 PHE 39 HD1 PHE 39 9.392 -10.245 -4.138
303 HD2 PHE 39 HD2 PHE 39 6.396 -9.183 -1.248
304 HE1 PHE 39 HE1 PHE 39 8.264 -12.421 -4.509
305 HE2 PHE 39 HE2 PHE 39 5.268 -11.360 -1.619
306 HZ PHE 39 HZ PHE 39 6.201 -12.978 -3.250
307 H ARG 40 HN ARG 40 6.248 -6.349 -2.612
308 HA ARG 40 HA ARG 40 4.437 -7.882 -4.397
309 1HB ARG 40 HB2 ARG 40 4.454 -6.891 -1.694
310 2HB ARG 40 HB1 ARG 40 3.028 -6.287 -2.526
311 1HG ARG 40 HG2 ARG 40 3.034 -8.873 -3.380
312 2HG ARG 40 HG1 ARG 40 3.733 -9.060 -1.771
313 1HD ARG 40 HD2 ARG 40 1.472 -9.165 -1.224
314 2HD ARG 40 HD1 ARG 40 1.707 -7.409 -1.126
315 HE ARG 40 HE ARG 40 0.671 -8.800 -3.575
316 1HH1 ARG 40 HH21 ARG 40 -1.325 -7.448 -1.834
317 2HH1 ARG 40 HH22 ARG 40 -1.439 -5.871 -2.540
318 1HH2 ARG 40 HH11 ARG 40 1.522 -6.178 -4.339
319 2HH2 ARG 40 HH12 ARG 40 0.180 -5.150 -3.967
320 H TYR 41 HN TYR 41 4.577 -4.480 -3.216
321 HA TYR 41 HA TYR 41 2.867 -3.622 -5.427
322 1HB TYR 41 HB2 TYR 41 4.269 -2.247 -3.139
323 2HB TYR 41 HB1 TYR 41 3.282 -1.378 -4.310
324 HD1 TYR 41 HD1 TYR 41 0.868 -1.647 -4.388
325 HD2 TYR 41 HD2 TYR 41 3.253 -3.856 -1.579
326 HE1 TYR 41 HE1 TYR 41 -1.181 -2.260 -3.135
327 HE2 TYR 41 HE2 TYR 41 1.202 -4.478 -0.330
328 HH TYR 41 HH TYR 41 -2.028 -3.494 -1.465
329 H GLY 42 HN GLY 42 6.296 -3.372 -4.588
330 1HA GLY 42 HA2 GLY 42 8.011 -3.179 -6.277
331 2HA GLY 42 HA1 GLY 42 6.827 -2.467 -7.365
332 H ASP 43 HN ASP 43 6.650 -1.136 -4.199
333 HA ASP 43 HA ASP 43 8.054 1.313 -5.182
334 1HB ASP 43 HB2 ASP 43 6.394 1.313 -2.706
335 2HB ASP 43 HB1 ASP 43 6.517 2.533 -3.961
336 H CYS 44 HN CYS 44 9.435 2.458 -3.668
337 HA CYS 44 HA CYS 44 11.129 2.610 -2.031
338 1HB CYS 44 HB2 CYS 44 9.645 0.363 -0.655
339 2HB CYS 44 HB1 CYS 44 10.616 1.618 0.094
340 H CYS 45 HN CYS 45 11.504 0.857 -4.316
341 HA CYS 45 HA CYS 45 12.739 -1.634 -3.397
342 1HB CYS 45 HB2 CYS 45 12.483 -0.126 -6.005
343 2HB CYS 45 HB1 CYS 45 13.428 -1.608 -5.889
344 H HIS 46 HN HIS 46 14.023 1.245 -5.107
345 HA HIS 46 HA HIS 46 16.756 0.595 -4.172
346 1HB HIS 46 HB2 HIS 46 15.938 1.353 -6.543
347 2HB HIS 46 HB1 HIS 46 15.933 2.970 -5.838
348 HD1 HIS 46 HD1 HIS 46 18.301 3.701 -4.688
349 HD2 HIS 46 HD2 HIS 46 18.449 0.505 -7.361
350 HE1 HIS 46 HE1 HIS 46 20.732 3.426 -5.342
351 H LEU 47 HN LEU 47 15.772 1.114 -1.868
352 HA LEU 47 HA LEU 47 15.561 4.008 -1.279
353 1HB LEU 47 HB2 LEU 47 14.185 1.960 -0.351
354 2HB LEU 47 HB1 LEU 47 15.556 1.780 0.745
355 HG LEU 47 HG LEU 47 15.234 4.342 1.169
356 1HD1 LEU 47 HD11 LEU 47 12.878 5.059 0.930
357 2HD1 LEU 47 HD12 LEU 47 12.498 3.534 0.130
358 3HD1 LEU 47 HD13 LEU 47 13.591 4.684 -0.639
359 1HD2 LEU 47 HD21 LEU 47 14.864 2.808 2.956
360 2HD2 LEU 47 HD22 LEU 47 13.431 2.132 2.180
361 3HD2 LEU 47 HD23 LEU 47 13.383 3.760 2.857
Start of MODEL 7
1 1H HIS 1 HT1 HIS 1 26.292 14.349 -2.224
2 2H HIS 1 HT2 HIS 1 27.917 14.688 -2.590
3 3H HIS 1 HT3 HIS 1 27.523 13.806 -1.192
4 HA HIS 1 HA HIS 1 26.562 12.037 -2.672
5 1HB HIS 1 HB2 HIS 1 27.784 13.992 -4.632
6 2HB HIS 1 HB1 HIS 1 27.521 12.303 -5.065
7 HD1 HIS 1 HD1 HIS 1 25.053 11.483 -5.267
8 HD2 HIS 1 HD2 HIS 1 25.412 15.541 -4.379
9 HE1 HIS 1 HE1 HIS 1 22.759 12.499 -5.613
10 H SER 2 HN SER 2 27.893 10.283 -2.353
11 HA SER 2 HA SER 2 30.812 10.512 -2.799
12 1HB SER 2 HB2 SER 2 31.130 9.595 -0.413
13 2HB SER 2 HB1 SER 2 30.665 11.287 -0.547
14 HG SER 2 HG SER 2 29.190 9.064 0.300
15 H SER 3 HN SER 3 29.961 8.947 -4.489
16 HA SER 3 HA SER 3 29.960 6.166 -3.390
17 1HB SER 3 HB2 SER 3 27.997 7.485 -5.275
18 2HB SER 3 HB1 SER 3 28.157 5.734 -5.177
19 HG SER 3 HG SER 3 27.291 5.755 -3.227
20 H GLY 4 HN GLY 4 30.965 4.644 -4.786
21 1HA GLY 4 HA2 GLY 4 31.740 5.388 -7.507
22 2HA GLY 4 HA1 GLY 4 33.093 5.307 -6.380
23 H TYR 5 HN TYR 5 30.241 3.354 -7.327
24 HA TYR 5 HA TYR 5 29.981 1.025 -7.572
25 1HB TYR 5 HB2 TYR 5 31.658 1.721 -9.347
26 2HB TYR 5 HB1 TYR 5 32.932 1.187 -8.252
27 HD1 TYR 5 HD1 TYR 5 29.692 -0.049 -9.701
28 HD2 TYR 5 HD2 TYR 5 33.675 -1.015 -8.413
29 HE1 TYR 5 HE1 TYR 5 29.373 -2.386 -10.466
30 HE2 TYR 5 HE2 TYR 5 33.355 -3.351 -9.179
31 HH TYR 5 HH TYR 5 31.098 -4.881 -9.526
32 H THR 6 HN THR 6 29.680 0.683 -5.253
33 HA THR 6 HA THR 6 31.972 -0.794 -4.011
34 HB THR 6 HB THR 6 30.048 1.093 -2.607
35 HG1 THR 6 HG1 THR 6 31.323 2.422 -3.716
36 1HG2 THR 6 HG21 THR 6 31.936 0.930 -0.855
37 2HG2 THR 6 HG22 THR 6 32.464 -0.496 -1.749
38 3HG2 THR 6 HG23 THR 6 30.860 -0.457 -1.017
39 H ARG 7 HN ARG 7 30.816 -2.719 -4.803
40 HA ARG 7 HA ARG 7 29.485 -4.617 -4.392
41 1HB ARG 7 HB2 ARG 7 30.097 -3.949 -2.020
42 2HB ARG 7 HB1 ARG 7 28.561 -3.090 -1.946
43 1HG ARG 7 HG2 ARG 7 27.733 -5.511 -2.885
44 2HG ARG 7 HG1 ARG 7 29.096 -5.997 -1.876
45 1HD ARG 7 HD2 ARG 7 27.772 -4.092 -0.315
46 2HD ARG 7 HD1 ARG 7 26.462 -5.031 -1.058
47 HE ARG 7 HE ARG 7 28.743 -6.542 0.103
48 1HH1 ARG 7 HH11 ARG 7 25.792 -7.321 -0.733
49 2HH1 ARG 7 HH12 ARG 7 25.150 -7.698 0.831
50 1HH2 ARG 7 HH21 ARG 7 27.790 -6.228 2.554
51 2HH2 ARG 7 HH22 ARG 7 26.288 -7.077 2.701
52 HA PRO 8 HA PRO 8 25.745 -3.148 -6.297
53 1HB PRO 8 HB2 PRO 8 24.625 -5.604 -6.769
54 2HB PRO 8 HB1 PRO 8 25.938 -4.931 -7.756
55 1HG PRO 8 HG2 PRO 8 26.055 -6.954 -5.577
56 2HG PRO 8 HG1 PRO 8 26.955 -6.881 -7.099
57 1HD PRO 8 HD2 PRO 8 28.011 -6.158 -4.692
58 2HD PRO 8 HD1 PRO 8 28.547 -5.476 -6.242
59 H LEU 9 HN LEU 9 23.600 -2.807 -5.589
60 HA LEU 9 HA LEU 9 23.021 -3.670 -2.816
61 1HB LEU 9 HB2 LEU 9 21.345 -1.872 -2.922
62 2HB LEU 9 HB1 LEU 9 22.906 -1.285 -3.487
63 HG LEU 9 HG LEU 9 21.600 -2.328 -5.771
64 1HD1 LEU 9 HD11 LEU 9 19.486 -1.115 -5.808
65 2HD1 LEU 9 HD12 LEU 9 19.791 -0.471 -4.195
66 3HD1 LEU 9 HD13 LEU 9 19.501 -2.197 -4.415
67 1HD2 LEU 9 HD21 LEU 9 21.566 0.105 -6.417
68 2HD2 LEU 9 HD22 LEU 9 23.127 -0.441 -5.805
69 3HD2 LEU 9 HD23 LEU 9 22.053 0.499 -4.768
70 H ARG 10 HN ARG 10 21.442 -5.141 -2.317
71 HA ARG 10 HA ARG 10 19.340 -5.803 -4.303
72 1HB ARG 10 HB2 ARG 10 21.396 -7.240 -4.662
73 2HB ARG 10 HB1 ARG 10 21.155 -7.879 -3.035
74 1HG ARG 10 HG2 ARG 10 18.994 -8.779 -3.631
75 2HG ARG 10 HG1 ARG 10 19.034 -7.971 -5.199
76 1HD ARG 10 HD2 ARG 10 20.298 -9.622 -6.125
77 2HD ARG 10 HD1 ARG 10 21.384 -9.683 -4.722
78 HE ARG 10 HE ARG 10 19.726 -11.110 -3.583
79 1HH1 ARG 10 HH11 ARG 10 20.326 -12.765 -5.920
80 2HH1 ARG 10 HH12 ARG 10 18.768 -13.074 -6.610
81 1HH2 ARG 10 HH21 ARG 10 17.206 -10.485 -4.894
82 2HH2 ARG 10 HH22 ARG 10 16.995 -11.777 -6.027
83 H LYS 11 HN LYS 11 17.566 -5.399 -3.021
84 HA LYS 11 HA LYS 11 17.582 -5.884 -0.140
85 1HB LYS 11 HB2 LYS 11 16.166 -4.329 -2.035
86 2HB LYS 11 HB1 LYS 11 14.977 -5.413 -1.313
87 1HG LYS 11 HG2 LYS 11 16.317 -4.653 0.916
88 2HG LYS 11 HG1 LYS 11 16.529 -3.207 -0.070
89 1HD LYS 11 HD2 LYS 11 14.489 -2.672 0.838
90 2HD LYS 11 HD1 LYS 11 13.908 -3.638 -0.517
91 1HE LYS 11 HE2 LYS 11 12.770 -4.650 1.260
92 2HE LYS 11 HE1 LYS 11 14.238 -5.644 1.212
93 1HZ LYS 11 HZ1 LYS 11 13.867 -4.832 3.451
94 2HZ LYS 11 HZ2 LYS 11 13.813 -3.226 2.898
95 3HZ LYS 11 HZ3 LYS 11 15.260 -4.112 2.808
96 HA PRO 12 HA PRO 12 16.035 -10.020 -0.388
97 1HB PRO 12 HB2 PRO 12 15.135 -10.256 2.188
98 2HB PRO 12 HB1 PRO 12 16.856 -10.280 1.761
99 1HG PRO 12 HG2 PRO 12 15.223 -8.090 2.915
100 2HG PRO 12 HG1 PRO 12 16.915 -8.515 3.209
101 1HD PRO 12 HD2 PRO 12 16.073 -6.450 1.589
102 2HD PRO 12 HD1 PRO 12 17.658 -7.242 1.477
103 H SER 13 HN SER 13 13.777 -10.959 1.052
104 HA SER 13 HA SER 13 11.585 -10.345 -0.608
105 1HB SER 13 HB2 SER 13 11.855 -11.408 2.208
106 2HB SER 13 HB1 SER 13 10.287 -11.297 1.413
107 HG SER 13 HG SER 13 11.135 -13.307 0.977
108 H ARG 14 HN ARG 14 9.815 -8.917 -0.399
109 HA ARG 14 HA ARG 14 10.279 -6.351 0.766
110 1HB ARG 14 HB2 ARG 14 7.922 -7.840 -0.374
111 2HB ARG 14 HB1 ARG 14 7.688 -6.244 0.336
112 1HG ARG 14 HG2 ARG 14 9.939 -6.579 -1.602
113 2HG ARG 14 HG1 ARG 14 8.299 -6.543 -2.249
114 1HD ARG 14 HD2 ARG 14 8.466 -4.444 -0.326
115 2HD ARG 14 HD1 ARG 14 9.898 -4.322 -1.366
116 HE ARG 14 HE ARG 14 8.310 -4.425 -3.330
117 1HH1 ARG 14 HH21 ARG 14 5.885 -5.179 -1.665
118 2HH1 ARG 14 HH22 ARG 14 5.042 -3.668 -1.579
119 1HH2 ARG 14 HH11 ARG 14 7.786 -1.783 -2.582
120 2HH2 ARG 14 HH12 ARG 14 6.124 -1.737 -2.099
121 HA PRO 15 HA PRO 15 9.135 -7.459 4.950
122 1HB PRO 15 HB2 PRO 15 9.656 -5.013 6.048
123 2HB PRO 15 HB1 PRO 15 10.933 -6.172 5.631
124 1HG PRO 15 HG2 PRO 15 10.063 -3.724 4.206
125 2HG PRO 15 HG1 PRO 15 11.675 -4.438 4.350
126 1HD PRO 15 HD2 PRO 15 10.034 -4.645 2.132
127 2HD PRO 15 HD1 PRO 15 11.390 -5.728 2.506
128 H ILE 16 HN ILE 16 7.631 -6.380 6.632
129 HA ILE 16 HA ILE 16 5.044 -5.918 5.511
130 HB ILE 16 HB ILE 16 4.453 -5.306 7.850
131 1HG1 ILE 16 HG12 ILE 16 7.381 -5.611 8.527
132 2HG1 ILE 16 HG11 ILE 16 6.687 -4.034 8.159
133 1HG2 ILE 16 HG21 ILE 16 4.884 -7.428 8.771
134 2HG2 ILE 16 HG22 ILE 16 6.457 -7.553 7.986
135 3HG2 ILE 16 HG23 ILE 16 4.981 -7.716 7.034
136 1HD1 ILE 16 HD11 ILE 16 6.748 -4.797 10.646
137 2HD1 ILE 16 HD12 ILE 16 5.395 -5.837 10.199
138 3HD1 ILE 16 HD13 ILE 16 5.257 -4.087 10.027
139 H PHE 17 HN PHE 17 3.749 -3.899 5.687
140 HA PHE 17 HA PHE 17 5.348 -1.383 5.708
141 1HB PHE 17 HB2 PHE 17 5.021 -2.476 3.395
142 2HB PHE 17 HB1 PHE 17 3.321 -2.043 3.564
143 HD1 PHE 17 HD1 PHE 17 6.749 -0.542 3.834
144 HD2 PHE 17 HD2 PHE 17 2.604 0.080 2.890
145 HE1 PHE 17 HE1 PHE 17 7.262 1.770 3.098
146 HE2 PHE 17 HE2 PHE 17 3.119 2.390 2.153
147 HZ PHE 17 HZ PHE 17 5.448 3.236 2.257
148 H ILE 18 HN ILE 18 3.904 0.561 5.822
149 HA ILE 18 HA ILE 18 1.816 0.236 7.795
150 HB ILE 18 HB ILE 18 1.598 2.667 7.541
151 1HG1 ILE 18 HG12 ILE 18 3.429 2.398 5.137
152 2HG1 ILE 18 HG11 ILE 18 1.686 2.633 5.022
153 1HG2 ILE 18 HG21 ILE 18 4.529 2.239 7.116
154 2HG2 ILE 18 HG22 ILE 18 3.760 1.444 8.490
155 3HG2 ILE 18 HG23 ILE 18 3.701 3.200 8.341
156 1HD1 ILE 18 HD11 ILE 18 1.934 4.728 6.377
157 2HD1 ILE 18 HD12 ILE 18 2.768 4.799 4.826
158 3HD1 ILE 18 HD13 ILE 18 3.683 4.518 6.307
159 H ARG 19 HN ARG 19 -0.388 1.373 7.341
160 HA ARG 19 HA ARG 19 -1.672 -0.032 5.120
161 1HB ARG 19 HB2 ARG 19 -2.775 -0.021 7.233
162 2HB ARG 19 HB1 ARG 19 -2.561 1.718 7.420
163 1HG ARG 19 HG2 ARG 19 -4.803 1.559 6.770
164 2HG ARG 19 HG1 ARG 19 -3.997 1.876 5.238
165 1HD ARG 19 HD2 ARG 19 -5.131 0.013 4.527
166 2HD ARG 19 HD1 ARG 19 -3.867 -0.882 5.396
167 HE ARG 19 HE ARG 19 -5.366 -0.871 7.390
168 1HH1 ARG 19 HH21 ARG 19 -7.100 1.350 6.015
169 2HH1 ARG 19 HH22 ARG 19 -8.550 0.447 5.728
170 1HH2 ARG 19 HH11 ARG 19 -7.053 -2.640 6.306
171 2HH2 ARG 19 HH12 ARG 19 -8.524 -1.825 5.883
172 HA PRO 20 HA PRO 20 -1.302 3.501 2.438
173 1HB PRO 20 HB2 PRO 20 -2.782 2.461 0.380
174 2HB PRO 20 HB1 PRO 20 -1.100 1.995 0.702
175 1HG PRO 20 HG2 PRO 20 -3.617 0.560 1.359
176 2HG PRO 20 HG1 PRO 20 -2.052 -0.081 0.843
177 1HD PRO 20 HD2 PRO 20 -2.929 -0.102 3.438
178 2HD PRO 20 HD1 PRO 20 -1.222 -0.109 2.968
179 H ILE 21 HN ILE 21 -2.787 5.072 1.460
180 HA ILE 21 HA ILE 21 -5.149 5.556 3.084
181 HB ILE 21 HB ILE 21 -3.500 6.912 1.001
182 1HG1 ILE 21 HG12 ILE 21 -3.160 7.102 3.479
183 2HG1 ILE 21 HG11 ILE 21 -3.426 8.645 2.677
184 1HG2 ILE 21 HG21 ILE 21 -5.765 7.274 0.107
185 2HG2 ILE 21 HG22 ILE 21 -5.121 8.767 0.789
186 3HG2 ILE 21 HG23 ILE 21 -6.311 7.829 1.691
187 1HD1 ILE 21 HD11 ILE 21 -5.850 7.243 3.681
188 2HD1 ILE 21 HD12 ILE 21 -5.475 8.966 3.665
189 3HD1 ILE 21 HD13 ILE 21 -4.771 7.921 4.899
190 H GLY 22 HN GLY 22 -7.243 6.145 2.029
191 1HA GLY 22 HA2 GLY 22 -8.785 5.906 0.125
192 2HA GLY 22 HA1 GLY 22 -7.844 4.508 -0.392
193 H CYS 23 HN CYS 23 -7.657 2.821 1.517
194 HA CYS 23 HA CYS 23 -10.302 1.809 2.052
195 1HB CYS 23 HB2 CYS 23 -7.470 1.168 2.783
196 2HB CYS 23 HB1 CYS 23 -8.753 0.346 3.658
197 H ASP 24 HN ASP 24 -8.065 3.804 3.902
198 HA ASP 24 HA ASP 24 -9.619 3.555 6.390
199 1HB ASP 24 HB2 ASP 24 -7.017 4.455 5.492
200 2HB ASP 24 HB1 ASP 24 -7.763 5.689 6.505
201 H VAL 25 HN VAL 25 -10.585 4.928 3.682
202 HA VAL 25 HA VAL 25 -11.838 7.250 5.034
203 HB VAL 25 HB VAL 25 -10.569 7.353 2.274
204 1HG1 VAL 25 HG11 VAL 25 -10.714 9.912 3.222
205 2HG1 VAL 25 HG12 VAL 25 -12.145 9.198 3.965
206 3HG1 VAL 25 HG13 VAL 25 -11.950 9.163 2.212
207 1HG2 VAL 25 HG21 VAL 25 -9.470 8.144 4.982
208 2HG2 VAL 25 HG22 VAL 25 -8.867 8.856 3.486
209 3HG2 VAL 25 HG23 VAL 25 -8.715 7.121 3.759
210 H CYS 26 HN CYS 26 -13.366 5.179 4.844
211 HA CYS 26 HA CYS 26 -14.585 4.252 2.521
212 1HB CYS 26 HB2 CYS 26 -15.739 4.992 5.224
213 2HB CYS 26 HB1 CYS 26 -16.636 4.070 4.024
214 H TYR 27 HN TYR 27 -14.900 7.448 3.951
215 HA TYR 27 HA TYR 27 -17.062 8.139 2.010
216 1HB TYR 27 HB2 TYR 27 -16.059 9.827 4.307
217 2HB TYR 27 HB1 TYR 27 -17.641 9.867 3.536
218 HD1 TYR 27 HD1 TYR 27 -15.717 8.539 6.242
219 HD2 TYR 27 HD2 TYR 27 -19.118 7.736 3.742
220 HE1 TYR 27 HE1 TYR 27 -16.568 6.925 7.919
221 HE2 TYR 27 HE2 TYR 27 -19.969 6.123 5.421
222 HH TYR 27 HH TYR 27 -18.622 4.636 7.382
223 H GLY 28 HN GLY 28 -16.468 9.325 0.251
224 1HA GLY 28 HA2 GLY 28 -15.349 11.388 -0.575
225 2HA GLY 28 HA1 GLY 28 -13.959 10.945 0.414
226 H ILE 29 HN ILE 29 -14.154 8.074 -0.320
227 HA ILE 29 HA ILE 29 -12.630 8.231 -2.815
228 HB ILE 29 HB ILE 29 -12.249 5.849 -2.408
229 1HG1 ILE 29 HG12 ILE 29 -14.284 6.100 -0.166
230 2HG1 ILE 29 HG11 ILE 29 -14.592 5.311 -1.714
231 1HG2 ILE 29 HG21 ILE 29 -11.278 5.989 -0.146
232 2HG2 ILE 29 HG22 ILE 29 -12.215 7.450 0.165
233 3HG2 ILE 29 HG23 ILE 29 -10.958 7.456 -1.071
234 1HD1 ILE 29 HD11 ILE 29 -12.743 4.455 0.503
235 2HD1 ILE 29 HD12 ILE 29 -12.459 3.915 -1.152
236 3HD1 ILE 29 HD13 ILE 29 -13.972 3.512 -0.341
237 HA PRO 30 HA PRO 30 -15.825 7.164 -5.594
238 1HB PRO 30 HB2 PRO 30 -14.506 5.548 -7.375
239 2HB PRO 30 HB1 PRO 30 -14.309 7.310 -7.308
240 1HG PRO 30 HG2 PRO 30 -12.526 5.172 -6.325
241 2HG PRO 30 HG1 PRO 30 -12.130 6.774 -6.948
242 1HD PRO 30 HD2 PRO 30 -12.143 6.064 -4.268
243 2HD PRO 30 HD1 PRO 30 -12.230 7.724 -4.886
244 H SER 31 HN SER 31 -17.294 5.493 -6.192
245 HA SER 31 HA SER 31 -17.771 3.438 -4.308
246 1HB SER 31 HB2 SER 31 -19.155 4.622 -6.261
247 2HB SER 31 HB1 SER 31 -18.693 3.170 -7.142
248 HG SER 31 HG SER 31 -20.621 3.455 -5.364
249 H SER 32 HN SER 32 -16.062 3.277 -7.441
250 HA SER 32 HA SER 32 -15.788 0.420 -7.540
251 1HB SER 32 HB2 SER 32 -15.389 2.346 -9.292
252 2HB SER 32 HB1 SER 32 -13.755 2.354 -8.635
253 HG SER 32 HG SER 32 -14.155 0.911 -10.468
254 H THR 33 HN THR 33 -13.620 2.970 -6.257
255 HA THR 33 HA THR 33 -11.520 1.182 -5.423
256 HB THR 33 HB THR 33 -12.432 3.903 -4.433
257 HG1 THR 33 HG1 THR 33 -10.276 3.190 -6.134
258 1HG2 THR 33 HG21 THR 33 -11.024 3.379 -2.705
259 2HG2 THR 33 HG22 THR 33 -9.788 3.835 -3.877
260 3HG2 THR 33 HG23 THR 33 -10.183 2.134 -3.629
261 H ALA 34 HN ALA 34 -14.405 2.486 -3.773
262 HA ALA 34 HA ALA 34 -13.942 1.433 -1.180
263 1HB ALA 34 HB1 ALA 34 -16.250 2.323 -2.836
264 2HB ALA 34 HB2 ALA 34 -15.758 2.849 -1.225
265 3HB ALA 34 HB3 ALA 34 -16.646 1.339 -1.427
266 H ARG 35 HN ARG 35 -15.435 -0.081 -4.050
267 HA ARG 35 HA ARG 35 -16.171 -2.561 -2.767
268 1HB ARG 35 HB2 ARG 35 -15.540 -1.793 -5.642
269 2HB ARG 35 HB1 ARG 35 -16.186 -3.364 -5.177
270 1HG ARG 35 HG2 ARG 35 -17.637 -1.013 -4.095
271 2HG ARG 35 HG1 ARG 35 -17.760 -1.257 -5.837
272 1HD ARG 35 HD2 ARG 35 -18.469 -3.616 -5.438
273 2HD ARG 35 HD1 ARG 35 -18.424 -3.307 -3.691
274 HE ARG 35 HE ARG 35 -19.985 -1.278 -5.027
275 1HH1 ARG 35 HH11 ARG 35 -21.255 -3.612 -6.270
276 2HH1 ARG 35 HH12 ARG 35 -22.421 -4.110 -5.091
277 1HH2 ARG 35 HH21 ARG 35 -20.951 -2.321 -2.497
278 2HH2 ARG 35 HH22 ARG 35 -22.249 -3.376 -2.948
279 H LEU 36 HN LEU 36 -13.265 -1.477 -4.523
280 HA LEU 36 HA LEU 36 -11.833 -3.970 -4.444
281 1HB LEU 36 HB2 LEU 36 -11.518 -1.372 -5.442
282 2HB LEU 36 HB1 LEU 36 -10.207 -1.542 -4.277
283 HG LEU 36 HG LEU 36 -10.324 -3.982 -5.720
284 1HD1 LEU 36 HD11 LEU 36 -9.823 -2.953 -8.033
285 2HD1 LEU 36 HD12 LEU 36 -10.633 -1.509 -7.426
286 3HD1 LEU 36 HD13 LEU 36 -11.514 -3.033 -7.538
287 1HD2 LEU 36 HD21 LEU 36 -8.091 -3.090 -6.591
288 2HD2 LEU 36 HD22 LEU 36 -8.268 -3.127 -4.837
289 3HD2 LEU 36 HD23 LEU 36 -8.447 -1.605 -5.709
290 H CYS 37 HN CYS 37 -11.982 -1.173 -2.239
291 HA CYS 37 HA CYS 37 -9.992 -2.049 -0.361
292 1HB CYS 37 HB2 CYS 37 -12.179 -0.066 -0.573
293 2HB CYS 37 HB1 CYS 37 -11.798 -0.563 1.072
294 H CYS 38 HN CYS 38 -13.520 -2.558 -0.558
295 HA CYS 38 HA CYS 38 -13.736 -4.006 1.947
296 1HB CYS 38 HB2 CYS 38 -15.617 -2.841 0.950
297 2HB CYS 38 HB1 CYS 38 -15.460 -3.765 -0.540
298 H PHE 39 HN PHE 39 -13.357 -4.933 -1.462
299 HA PHE 39 HA PHE 39 -13.661 -7.768 -1.119
300 1HB PHE 39 HB2 PHE 39 -13.922 -6.842 -3.282
301 2HB PHE 39 HB1 PHE 39 -12.424 -5.923 -3.161
302 HD1 PHE 39 HD1 PHE 39 -13.779 -9.391 -3.390
303 HD2 PHE 39 HD2 PHE 39 -10.364 -6.836 -3.895
304 HE1 PHE 39 HE1 PHE 39 -12.548 -11.252 -4.470
305 HE2 PHE 39 HE2 PHE 39 -9.132 -8.697 -4.976
306 HZ PHE 39 HZ PHE 39 -10.224 -10.906 -5.263
307 H ARG 40 HN ARG 40 -10.794 -5.646 -1.031
308 HA ARG 40 HA ARG 40 -9.057 -8.007 -0.529
309 1HB ARG 40 HB2 ARG 40 -8.750 -5.186 -1.458
310 2HB ARG 40 HB1 ARG 40 -7.367 -5.941 -0.672
311 1HG ARG 40 HG2 ARG 40 -8.402 -7.871 -2.460
312 2HG ARG 40 HG1 ARG 40 -8.360 -6.348 -3.347
313 1HD ARG 40 HD2 ARG 40 -6.124 -6.594 -3.604
314 2HD ARG 40 HD1 ARG 40 -5.934 -6.518 -1.842
315 HE ARG 40 HE ARG 40 -6.867 -9.120 -2.834
316 1HH1 ARG 40 HH11 ARG 40 -4.118 -8.268 -4.003
317 2HH1 ARG 40 HH12 ARG 40 -3.053 -9.055 -2.887
318 1HH2 ARG 40 HH21 ARG 40 -5.535 -9.645 -0.527
319 2HH2 ARG 40 HH22 ARG 40 -3.858 -9.839 -0.913
320 H TYR 41 HN TYR 41 -9.382 -4.716 0.889
321 HA TYR 41 HA TYR 41 -8.019 -5.518 3.333
322 1HB TYR 41 HB2 TYR 41 -9.519 -3.071 2.405
323 2HB TYR 41 HB1 TYR 41 -8.770 -3.173 3.995
324 HD1 TYR 41 HD1 TYR 41 -6.445 -2.835 4.279
325 HD2 TYR 41 HD2 TYR 41 -8.066 -3.385 0.339
326 HE1 TYR 41 HE1 TYR 41 -4.262 -2.197 3.295
327 HE2 TYR 41 HE2 TYR 41 -5.880 -2.756 -0.647
328 HH TYR 41 HH TYR 41 -3.025 -2.554 1.179
329 H GLY 42 HN GLY 42 -11.404 -4.878 2.447
330 1HA GLY 42 HA2 GLY 42 -13.228 -6.089 3.498
331 2HA GLY 42 HA1 GLY 42 -12.227 -6.300 4.928
332 H ASP 43 HN ASP 43 -12.084 -3.114 3.627
333 HA ASP 43 HA ASP 43 -13.927 -2.164 5.789
334 1HB ASP 43 HB2 ASP 43 -11.686 -0.659 4.417
335 2HB ASP 43 HB1 ASP 43 -12.511 -0.214 5.900
336 H CYS 44 HN CYS 44 -15.199 -0.235 5.287
337 HA CYS 44 HA CYS 44 -16.637 1.059 3.934
338 1HB CYS 44 HB2 CYS 44 -14.612 0.442 1.769
339 2HB CYS 44 HB1 CYS 44 -15.704 1.814 1.823
340 H CYS 45 HN CYS 45 -17.153 -1.756 4.223
341 HA CYS 45 HA CYS 45 -17.873 -2.862 1.603
342 1HB CYS 45 HB2 CYS 45 -18.217 -3.654 4.502
343 2HB CYS 45 HB1 CYS 45 -18.899 -4.615 3.191
344 H HIS 46 HN HIS 46 -19.763 -2.049 4.538
345 HA HIS 46 HA HIS 46 -22.240 -1.865 2.947
346 1HB HIS 46 HB2 HIS 46 -21.560 -2.605 5.533
347 2HB HIS 46 HB1 HIS 46 -22.280 -1.013 5.764
348 HD1 HIS 46 HD1 HIS 46 -23.093 -4.507 4.721
349 HD2 HIS 46 HD2 HIS 46 -25.041 -0.831 4.988
350 HE1 HIS 46 HE1 HIS 46 -25.565 -4.986 4.459
351 H LEU 47 HN LEU 47 -21.593 0.017 1.632
352 HA LEU 47 HA LEU 47 -21.467 2.602 3.140
353 1HB LEU 47 HB2 LEU 47 -19.962 1.432 1.019
354 2HB LEU 47 HB1 LEU 47 -20.818 2.821 0.349
355 HG LEU 47 HG LEU 47 -19.592 3.272 3.004
356 1HD1 LEU 47 HD11 LEU 47 -17.337 3.340 2.280
357 2HD1 LEU 47 HD12 LEU 47 -17.790 3.189 0.583
358 3HD1 LEU 47 HD13 LEU 47 -17.947 1.805 1.664
359 1HD2 LEU 47 HD21 LEU 47 -18.870 5.369 1.753
360 2HD2 LEU 47 HD22 LEU 47 -20.613 5.116 1.848
361 3HD2 LEU 47 HD23 LEU 47 -19.746 4.741 0.358
Start of MODEL 8
1 1H HIS 1 HT1 HIS 1 31.065 9.013 7.265
2 2H HIS 1 HT2 HIS 1 30.624 9.627 5.744
3 3H HIS 1 HT3 HIS 1 31.400 10.630 6.874
4 HA HIS 1 HA HIS 1 32.955 9.909 5.142
5 1HB HIS 1 HB2 HIS 1 33.495 10.342 7.603
6 2HB HIS 1 HB1 HIS 1 33.481 8.592 7.822
7 HD1 HIS 1 HD1 HIS 1 35.379 11.339 6.061
8 HD2 HIS 1 HD2 HIS 1 35.730 7.245 6.769
9 HE1 HIS 1 HE1 HIS 1 37.704 10.678 5.307
10 H SER 2 HN SER 2 33.549 8.261 3.765
11 HA SER 2 HA SER 2 33.681 6.118 2.789
12 1HB SER 2 HB2 SER 2 34.656 5.828 5.204
13 2HB SER 2 HB1 SER 2 33.147 4.978 5.526
14 HG SER 2 HG SER 2 34.844 3.598 4.774
15 H SER 3 HN SER 3 32.352 3.980 2.625
16 HA SER 3 HA SER 3 29.469 4.404 3.272
17 1HB SER 3 HB2 SER 3 29.113 3.615 0.805
18 2HB SER 3 HB1 SER 3 29.572 5.290 1.093
19 HG SER 3 HG SER 3 30.976 4.581 -0.424
20 H GLY 4 HN GLY 4 28.541 2.508 3.968
21 1HA GLY 4 HA2 GLY 4 30.132 0.087 4.137
22 2HA GLY 4 HA1 GLY 4 28.460 0.260 4.667
23 H TYR 5 HN TYR 5 29.790 -1.882 3.038
24 HA TYR 5 HA TYR 5 29.118 -3.320 1.294
25 1HB TYR 5 HB2 TYR 5 26.855 -2.199 2.207
26 2HB TYR 5 HB1 TYR 5 26.850 -1.510 0.584
27 HD1 TYR 5 HD1 TYR 5 26.645 -4.604 2.561
28 HD2 TYR 5 HD2 TYR 5 26.682 -2.942 -1.401
29 HE1 TYR 5 HE1 TYR 5 25.823 -6.758 1.650
30 HE2 TYR 5 HE2 TYR 5 25.859 -5.096 -2.311
31 HH TYR 5 HH TYR 5 26.092 -7.817 -1.088
32 H THR 6 HN THR 6 29.658 -3.471 -0.885
33 HA THR 6 HA THR 6 30.952 -1.184 -2.139
34 HB THR 6 HB THR 6 30.192 -3.844 -3.383
35 HG1 THR 6 HG1 THR 6 31.672 -4.777 -2.202
36 1HG2 THR 6 HG21 THR 6 31.187 -2.112 -4.858
37 2HG2 THR 6 HG22 THR 6 32.253 -3.503 -4.661
38 3HG2 THR 6 HG23 THR 6 32.575 -2.012 -3.775
39 H ARG 7 HN ARG 7 29.745 0.418 -3.058
40 HA ARG 7 HA ARG 7 28.061 1.517 -4.281
41 1HB ARG 7 HB2 ARG 7 29.157 -0.050 -5.961
42 2HB ARG 7 HB1 ARG 7 27.831 -1.172 -5.661
43 1HG ARG 7 HG2 ARG 7 26.337 0.075 -6.836
44 2HG ARG 7 HG1 ARG 7 26.981 1.597 -6.221
45 1HD ARG 7 HD2 ARG 7 29.061 0.833 -7.789
46 2HD ARG 7 HD1 ARG 7 27.714 0.100 -8.682
47 HE ARG 7 HE ARG 7 26.610 2.389 -8.565
48 1HH1 ARG 7 HH11 ARG 7 28.764 2.554 -10.567
49 2HH1 ARG 7 HH12 ARG 7 29.698 3.910 -10.031
50 1HH2 ARG 7 HH21 ARG 7 28.346 3.906 -6.828
51 2HH2 ARG 7 HH22 ARG 7 29.459 4.680 -7.905
52 HA PRO 8 HA PRO 8 24.815 -0.726 -1.787
53 1HB PRO 8 HB2 PRO 8 24.375 1.277 0.025
54 2HB PRO 8 HB1 PRO 8 25.608 0.021 0.253
55 1HG PRO 8 HG2 PRO 8 25.918 2.837 -0.636
56 2HG PRO 8 HG1 PRO 8 26.979 1.847 0.376
57 1HD PRO 8 HD2 PRO 8 27.425 2.379 -2.283
58 2HD PRO 8 HD1 PRO 8 28.078 0.973 -1.418
59 H LEU 9 HN LEU 9 22.574 -0.322 -2.013
60 HA LEU 9 HA LEU 9 21.751 1.504 -4.088
61 1HB LEU 9 HB2 LEU 9 19.523 0.629 -3.555
62 2HB LEU 9 HB1 LEU 9 20.695 -0.686 -3.525
63 HG LEU 9 HG LEU 9 20.745 0.294 -0.915
64 1HD1 LEU 9 HD11 LEU 9 18.472 0.520 -0.192
65 2HD1 LEU 9 HD12 LEU 9 17.853 0.032 -1.770
66 3HD1 LEU 9 HD13 LEU 9 18.656 1.591 -1.581
67 1HD2 LEU 9 HD21 LEU 9 19.672 -1.835 -0.368
68 2HD2 LEU 9 HD22 LEU 9 20.801 -2.077 -1.700
69 3HD2 LEU 9 HD23 LEU 9 19.069 -1.984 -2.019
70 H ARG 10 HN ARG 10 20.334 3.362 -3.866
71 HA ARG 10 HA ARG 10 20.615 4.767 -1.242
72 1HB ARG 10 HB2 ARG 10 21.658 5.622 -3.436
73 2HB ARG 10 HB1 ARG 10 20.007 5.967 -3.952
74 1HG ARG 10 HG2 ARG 10 19.667 7.487 -2.116
75 2HG ARG 10 HG1 ARG 10 21.187 7.004 -1.363
76 1HD ARG 10 HD2 ARG 10 22.076 7.777 -3.833
77 2HD ARG 10 HD1 ARG 10 20.718 8.894 -3.593
78 HE ARG 10 HE ARG 10 21.818 9.218 -1.227
79 1HH1 ARG 10 HH21 ARG 10 22.863 10.944 -3.477
80 2HH1 ARG 10 HH22 ARG 10 24.573 10.716 -3.331
81 1HH2 ARG 10 HH11 ARG 10 24.288 7.887 -1.331
82 2HH2 ARG 10 HH12 ARG 10 25.384 8.978 -2.111
83 H LYS 11 HN LYS 11 18.712 4.396 -0.116
84 HA LYS 11 HA LYS 11 16.212 5.465 -1.183
85 1HB LYS 11 HB2 LYS 11 16.930 2.680 -1.499
86 2HB LYS 11 HB1 LYS 11 15.507 2.815 -0.467
87 1HG LYS 11 HG2 LYS 11 14.199 3.376 -2.215
88 2HG LYS 11 HG1 LYS 11 15.325 4.635 -2.725
89 1HD LYS 11 HD2 LYS 11 16.760 2.827 -3.746
90 2HD LYS 11 HD1 LYS 11 15.464 1.683 -3.396
91 1HE LYS 11 HE2 LYS 11 14.570 4.138 -4.789
92 2HE LYS 11 HE1 LYS 11 15.643 3.091 -5.739
93 1HZ LYS 11 HZ1 LYS 11 13.319 2.079 -4.187
94 2HZ LYS 11 HZ2 LYS 11 14.267 1.220 -5.307
95 3HZ LYS 11 HZ3 LYS 11 13.239 2.464 -5.838
96 HA PRO 12 HA PRO 12 15.936 5.859 3.254
97 1HB PRO 12 HB2 PRO 12 13.615 7.306 3.300
98 2HB PRO 12 HB1 PRO 12 15.180 8.014 2.860
99 1HG PRO 12 HG2 PRO 12 12.923 7.188 1.128
100 2HG PRO 12 HG1 PRO 12 14.068 8.523 0.936
101 1HD PRO 12 HD2 PRO 12 14.185 6.114 -0.421
102 2HD PRO 12 HD1 PRO 12 15.543 7.239 -0.212
103 H SER 13 HN SER 13 13.435 5.883 4.584
104 HA SER 13 HA SER 13 12.780 3.121 4.820
105 1HB SER 13 HB2 SER 13 11.340 5.685 5.547
106 2HB SER 13 HB1 SER 13 10.764 4.098 6.045
107 HG SER 13 HG SER 13 12.094 4.962 7.644
108 H ARG 14 HN ARG 14 11.502 1.839 3.534
109 HA ARG 14 HA ARG 14 9.762 3.177 1.511
110 1HB ARG 14 HB2 ARG 14 10.013 0.897 0.361
111 2HB ARG 14 HB1 ARG 14 11.468 1.882 0.464
112 1HG ARG 14 HG2 ARG 14 12.446 0.517 2.069
113 2HG ARG 14 HG1 ARG 14 10.895 -0.063 2.674
114 1HD ARG 14 HD2 ARG 14 11.728 -0.741 -0.142
115 2HD ARG 14 HD1 ARG 14 12.359 -1.687 1.221
116 HE ARG 14 HE ARG 14 9.547 -1.590 0.352
117 1HH1 ARG 14 HH21 ARG 14 10.874 -4.132 1.128
118 2HH1 ARG 14 HH22 ARG 14 10.257 -4.414 2.722
119 1HH2 ARG 14 HH11 ARG 14 9.144 -1.143 3.150
120 2HH2 ARG 14 HH12 ARG 14 9.273 -2.714 3.872
121 HA PRO 15 HA PRO 15 6.380 1.482 3.872
122 1HB PRO 15 HB2 PRO 15 4.392 2.338 2.207
123 2HB PRO 15 HB1 PRO 15 5.233 3.415 3.338
124 1HG PRO 15 HG2 PRO 15 5.608 3.082 0.408
125 2HG PRO 15 HG1 PRO 15 5.677 4.548 1.398
126 1HD PRO 15 HD2 PRO 15 7.885 3.216 0.480
127 2HD PRO 15 HD1 PRO 15 7.870 4.235 1.936
128 H ILE 16 HN ILE 16 4.262 0.233 3.105
129 HA ILE 16 HA ILE 16 5.068 -2.253 1.930
130 HB ILE 16 HB ILE 16 2.621 -2.725 1.983
131 1HG1 ILE 16 HG12 ILE 16 2.011 -0.075 3.175
132 2HG1 ILE 16 HG11 ILE 16 2.285 -0.078 1.432
133 1HG2 ILE 16 HG21 ILE 16 2.331 -2.459 4.380
134 2HG2 ILE 16 HG22 ILE 16 3.551 -1.187 4.423
135 3HG2 ILE 16 HG23 ILE 16 4.020 -2.846 4.051
136 1HD1 ILE 16 HD11 ILE 16 0.618 -1.901 1.189
137 2HD1 ILE 16 HD12 ILE 16 -0.092 -0.455 1.906
138 3HD1 ILE 16 HD13 ILE 16 0.314 -1.835 2.926
139 H PHE 17 HN PHE 17 3.772 -3.189 -0.016
140 HA PHE 17 HA PHE 17 4.547 -1.991 -2.430
141 1HB PHE 17 HB2 PHE 17 3.117 -3.652 -3.443
142 2HB PHE 17 HB1 PHE 17 3.765 -4.353 -1.967
143 HD1 PHE 17 HD1 PHE 17 0.769 -3.149 -3.680
144 HD2 PHE 17 HD2 PHE 17 2.330 -4.566 0.063
145 HE1 PHE 17 HE1 PHE 17 -1.540 -3.533 -2.863
146 HE2 PHE 17 HE2 PHE 17 0.020 -4.948 0.880
147 HZ PHE 17 HZ PHE 17 -1.914 -4.431 -0.582
148 H ILE 18 HN ILE 18 3.361 -0.829 -4.051
149 HA ILE 18 HA ILE 18 1.801 1.375 -3.156
150 HB ILE 18 HB ILE 18 2.203 0.055 -5.856
151 1HG1 ILE 18 HG12 ILE 18 3.311 2.720 -5.212
152 2HG1 ILE 18 HG11 ILE 18 3.972 1.394 -4.260
153 1HG2 ILE 18 HG21 ILE 18 1.380 2.172 -6.836
154 2HG2 ILE 18 HG22 ILE 18 0.985 2.764 -5.222
155 3HG2 ILE 18 HG23 ILE 18 0.118 1.381 -5.891
156 1HD1 ILE 18 HD11 ILE 18 3.772 1.352 -7.284
157 2HD1 ILE 18 HD12 ILE 18 4.612 0.190 -6.257
158 3HD1 ILE 18 HD13 ILE 18 5.222 1.837 -6.405
159 H ARG 19 HN ARG 19 -0.404 1.687 -2.988
160 HA ARG 19 HA ARG 19 -2.133 -0.686 -3.444
161 1HB ARG 19 HB2 ARG 19 -3.322 -0.026 -1.555
162 2HB ARG 19 HB1 ARG 19 -1.712 0.549 -1.149
163 1HG ARG 19 HG2 ARG 19 -3.789 2.303 -2.491
164 2HG ARG 19 HG1 ARG 19 -3.606 2.201 -0.743
165 1HD ARG 19 HD2 ARG 19 -1.072 2.717 -1.233
166 2HD ARG 19 HD1 ARG 19 -1.699 3.355 -2.766
167 HE ARG 19 HE ARG 19 -3.002 4.235 -0.236
168 1HH1 ARG 19 HH11 ARG 19 -0.357 5.580 -0.593
169 2HH1 ARG 19 HH12 ARG 19 -0.774 6.976 -1.528
170 1HH2 ARG 19 HH21 ARG 19 -3.871 5.724 -2.495
171 2HH2 ARG 19 HH22 ARG 19 -2.774 7.060 -2.607
172 HA PRO 20 HA PRO 20 -4.057 1.502 -6.760
173 1HB PRO 20 HB2 PRO 20 -6.280 -0.091 -6.972
174 2HB PRO 20 HB1 PRO 20 -4.680 -0.560 -7.585
175 1HG PRO 20 HG2 PRO 20 -6.058 -1.367 -5.075
176 2HG PRO 20 HG1 PRO 20 -5.047 -2.324 -6.164
177 1HD PRO 20 HD2 PRO 20 -4.148 -1.317 -3.802
178 2HD PRO 20 HD1 PRO 20 -3.099 -1.607 -5.202
179 H ILE 21 HN ILE 21 -6.360 2.371 -7.227
180 HA ILE 21 HA ILE 21 -7.228 3.983 -4.958
181 HB ILE 21 HB ILE 21 -8.333 3.650 -7.772
182 1HG1 ILE 21 HG12 ILE 21 -6.810 6.058 -7.302
183 2HG1 ILE 21 HG11 ILE 21 -5.832 4.651 -6.895
184 1HG2 ILE 21 HG21 ILE 21 -8.735 5.721 -5.606
185 2HG2 ILE 21 HG22 ILE 21 -9.963 4.821 -6.498
186 3HG2 ILE 21 HG23 ILE 21 -9.034 6.084 -7.306
187 1HD1 ILE 21 HD11 ILE 21 -5.560 5.206 -9.270
188 2HD1 ILE 21 HD12 ILE 21 -7.304 5.097 -9.509
189 3HD1 ILE 21 HD13 ILE 21 -6.378 3.653 -9.101
190 H GLY 22 HN GLY 22 -9.616 4.116 -4.450
191 1HA GLY 22 HA2 GLY 22 -11.813 3.007 -4.381
192 2HA GLY 22 HA1 GLY 22 -10.983 1.471 -4.626
193 H CYS 23 HN CYS 23 -9.143 1.187 -2.858
194 HA CYS 23 HA CYS 23 -10.447 0.942 -0.294
195 1HB CYS 23 HB2 CYS 23 -7.644 0.652 -1.357
196 2HB CYS 23 HB1 CYS 23 -7.971 0.431 0.352
197 H ASP 24 HN ASP 24 -8.308 3.342 -1.724
198 HA ASP 24 HA ASP 24 -7.662 4.763 0.713
199 1HB ASP 24 HB2 ASP 24 -7.640 5.460 -2.238
200 2HB ASP 24 HB1 ASP 24 -6.961 6.503 -0.994
201 H VAL 25 HN VAL 25 -10.652 4.464 -0.803
202 HA VAL 25 HA VAL 25 -11.625 6.986 0.409
203 HB VAL 25 HB VAL 25 -12.317 6.045 -2.398
204 1HG1 VAL 25 HG11 VAL 25 -13.667 7.756 -0.718
205 2HG1 VAL 25 HG12 VAL 25 -13.768 7.787 -2.477
206 3HG1 VAL 25 HG13 VAL 25 -12.657 8.869 -1.639
207 1HG2 VAL 25 HG21 VAL 25 -10.054 6.707 -2.603
208 2HG2 VAL 25 HG22 VAL 25 -10.232 7.999 -1.415
209 3HG2 VAL 25 HG23 VAL 25 -10.952 8.168 -3.016
210 H CYS 26 HN CYS 26 -12.273 5.174 1.936
211 HA CYS 26 HA CYS 26 -14.003 3.046 1.426
212 1HB CYS 26 HB2 CYS 26 -13.702 5.002 3.702
213 2HB CYS 26 HB1 CYS 26 -14.863 3.683 3.804
214 H TYR 27 HN TYR 27 -14.756 6.468 1.295
215 HA TYR 27 HA TYR 27 -17.676 5.868 1.154
216 1HB TYR 27 HB2 TYR 27 -16.310 8.566 1.284
217 2HB TYR 27 HB1 TYR 27 -17.973 8.179 1.713
218 HD1 TYR 27 HD1 TYR 27 -14.587 8.453 2.899
219 HD2 TYR 27 HD2 TYR 27 -18.375 6.589 3.695
220 HE1 TYR 27 HE1 TYR 27 -13.878 8.006 5.231
221 HE2 TYR 27 HE2 TYR 27 -17.664 6.142 6.028
222 HH TYR 27 HH TYR 27 -15.081 5.870 7.135
223 H GLY 28 HN GLY 28 -18.647 5.904 -0.827
224 1HA GLY 28 HA2 GLY 28 -19.054 7.117 -2.940
225 2HA GLY 28 HA1 GLY 28 -17.322 7.419 -3.036
226 H ILE 29 HN ILE 29 -16.816 4.536 -2.147
227 HA ILE 29 HA ILE 29 -16.782 3.407 -4.839
228 HB ILE 29 HB ILE 29 -15.547 1.587 -3.755
229 1HG1 ILE 29 HG12 ILE 29 -16.287 2.947 -1.140
230 2HG1 ILE 29 HG11 ILE 29 -16.971 1.429 -1.721
231 1HG2 ILE 29 HG21 ILE 29 -13.748 2.950 -2.682
232 2HG2 ILE 29 HG22 ILE 29 -14.830 4.342 -2.719
233 3HG2 ILE 29 HG23 ILE 29 -14.289 3.605 -4.227
234 1HD1 ILE 29 HD11 ILE 29 -14.357 0.819 -1.928
235 2HD1 ILE 29 HD12 ILE 29 -15.276 0.548 -0.448
236 3HD1 ILE 29 HD13 ILE 29 -14.267 1.985 -0.609
237 HA PRO 30 HA PRO 30 -20.371 0.919 -4.632
238 1HB PRO 30 HB2 PRO 30 -19.561 -1.311 -6.009
239 2HB PRO 30 HB1 PRO 30 -19.941 0.241 -6.782
240 1HG PRO 30 HG2 PRO 30 -17.319 -0.985 -6.189
241 2HG PRO 30 HG1 PRO 30 -17.796 0.075 -7.518
242 1HD PRO 30 HD2 PRO 30 -16.356 0.873 -5.292
243 2HD PRO 30 HD1 PRO 30 -17.268 1.957 -6.358
244 H SER 31 HN SER 31 -21.301 -0.978 -3.656
245 HA SER 31 HA SER 31 -20.248 -1.780 -1.159
246 1HB SER 31 HB2 SER 31 -22.617 -1.897 -2.187
247 2HB SER 31 HB1 SER 31 -22.109 -3.438 -2.868
248 HG SER 31 HG SER 31 -21.798 -4.224 -0.823
249 H SER 32 HN SER 32 -20.065 -3.460 -4.314
250 HA SER 32 HA SER 32 -18.836 -5.866 -3.357
251 1HB SER 32 HB2 SER 32 -19.915 -5.191 -5.649
252 2HB SER 32 HB1 SER 32 -18.294 -4.634 -6.056
253 HG SER 32 HG SER 32 -17.547 -6.744 -5.560
254 H THR 33 HN THR 33 -17.405 -2.829 -4.598
255 HA THR 33 HA THR 33 -14.660 -3.682 -4.402
256 HB THR 33 HB THR 33 -16.014 -0.970 -4.267
257 HG1 THR 33 HG1 THR 33 -15.257 -0.909 -6.445
258 1HG2 THR 33 HG21 THR 33 -13.922 -0.496 -3.342
259 2HG2 THR 33 HG22 THR 33 -13.613 -0.265 -5.063
260 3HG2 THR 33 HG23 THR 33 -13.114 -1.759 -4.270
261 H ALA 34 HN ALA 34 -16.865 -2.032 -2.139
262 HA ALA 34 HA ALA 34 -15.052 -1.491 -0.035
263 1HB ALA 34 HB1 ALA 34 -17.103 -1.442 1.337
264 2HB ALA 34 HB2 ALA 34 -17.965 -2.340 0.088
265 3HB ALA 34 HB3 ALA 34 -17.403 -0.700 -0.235
266 H ARG 35 HN ARG 35 -16.938 -4.455 -0.704
267 HA ARG 35 HA ARG 35 -16.100 -5.912 1.633
268 1HB ARG 35 HB2 ARG 35 -17.016 -6.775 -1.134
269 2HB ARG 35 HB1 ARG 35 -16.824 -7.882 0.223
270 1HG ARG 35 HG2 ARG 35 -18.605 -6.975 1.405
271 2HG ARG 35 HG1 ARG 35 -18.479 -5.411 0.600
272 1HD ARG 35 HD2 ARG 35 -19.708 -6.100 -1.232
273 2HD ARG 35 HD1 ARG 35 -19.160 -7.783 -1.096
274 HE ARG 35 HE ARG 35 -21.045 -6.587 0.904
275 1HH1 ARG 35 HH21 ARG 35 -22.477 -7.816 -1.338
276 2HH1 ARG 35 HH22 ARG 35 -22.646 -9.468 -0.851
277 1HH2 ARG 35 HH11 ARG 35 -20.180 -9.272 1.593
278 2HH2 ARG 35 HH12 ARG 35 -21.338 -10.299 0.816
279 H LEU 36 HN LEU 36 -14.786 -5.709 -1.675
280 HA LEU 36 HA LEU 36 -12.642 -7.609 -1.261
281 1HB LEU 36 HB2 LEU 36 -13.789 -6.382 -3.384
282 2HB LEU 36 HB1 LEU 36 -12.362 -5.362 -3.200
283 HG LEU 36 HG LEU 36 -11.024 -7.567 -3.086
284 1HD1 LEU 36 HD11 LEU 36 -13.587 -8.579 -4.361
285 2HD1 LEU 36 HD12 LEU 36 -13.012 -9.024 -2.754
286 3HD1 LEU 36 HD13 LEU 36 -12.087 -9.489 -4.181
287 1HD2 LEU 36 HD21 LEU 36 -12.450 -6.832 -5.665
288 2HD2 LEU 36 HD22 LEU 36 -10.917 -7.696 -5.540
289 3HD2 LEU 36 HD23 LEU 36 -11.025 -6.013 -5.025
290 H CYS 37 HN CYS 37 -12.917 -4.078 -0.899
291 HA CYS 37 HA CYS 37 -10.127 -3.547 -0.403
292 1HB CYS 37 HB2 CYS 37 -12.754 -2.199 -0.214
293 2HB CYS 37 HB1 CYS 37 -11.538 -1.587 0.900
294 H CYS 38 HN CYS 38 -12.819 -4.550 1.673
295 HA CYS 38 HA CYS 38 -11.271 -4.158 4.151
296 1HB CYS 38 HB2 CYS 38 -13.655 -3.714 4.129
297 2HB CYS 38 HB1 CYS 38 -13.993 -5.307 3.461
298 H PHE 39 HN PHE 39 -12.318 -6.808 2.043
299 HA PHE 39 HA PHE 39 -11.500 -8.975 3.759
300 1HB PHE 39 HB2 PHE 39 -13.095 -9.414 2.066
301 2HB PHE 39 HB1 PHE 39 -12.130 -8.610 0.831
302 HD1 PHE 39 HD1 PHE 39 -12.089 -11.547 3.151
303 HD2 PHE 39 HD2 PHE 39 -10.669 -9.853 -0.532
304 HE1 PHE 39 HE1 PHE 39 -11.035 -13.713 2.562
305 HE2 PHE 39 HE2 PHE 39 -9.615 -12.019 -1.121
306 HZ PHE 39 HZ PHE 39 -9.798 -13.948 0.426
307 H ARG 40 HN ARG 40 -9.854 -7.264 1.084
308 HA ARG 40 HA ARG 40 -7.439 -8.948 1.492
309 1HB ARG 40 HB2 ARG 40 -8.741 -7.560 -0.665
310 2HB ARG 40 HB1 ARG 40 -7.083 -6.991 -0.528
311 1HG ARG 40 HG2 ARG 40 -6.629 -9.625 -0.247
312 2HG ARG 40 HG1 ARG 40 -8.099 -9.703 -1.219
313 1HD ARG 40 HD2 ARG 40 -6.371 -9.612 -2.844
314 2HD ARG 40 HD1 ARG 40 -6.904 -7.924 -2.730
315 HE ARG 40 HE ARG 40 -4.998 -7.529 -1.165
316 1HH1 ARG 40 HH21 ARG 40 -4.384 -10.380 -0.491
317 2HH1 ARG 40 HH22 ARG 40 -2.986 -10.693 -1.463
318 1HH2 ARG 40 HH11 ARG 40 -3.481 -7.938 -3.525
319 2HH2 ARG 40 HH12 ARG 40 -2.472 -9.304 -3.188
320 H TYR 41 HN TYR 41 -8.164 -5.430 1.229
321 HA TYR 41 HA TYR 41 -5.539 -4.761 2.326
322 1HB TYR 41 HB2 TYR 41 -7.972 -3.126 1.578
323 2HB TYR 41 HB1 TYR 41 -6.422 -2.437 2.048
324 HD1 TYR 41 HD1 TYR 41 -4.515 -2.488 0.572
325 HD2 TYR 41 HD2 TYR 41 -8.189 -4.427 -0.525
326 HE1 TYR 41 HE1 TYR 41 -3.690 -2.737 -1.751
327 HE2 TYR 41 HE2 TYR 41 -7.361 -4.679 -2.848
328 HH TYR 41 HH TYR 41 -4.616 -4.735 -3.823
329 H GLY 42 HN GLY 42 -8.882 -4.762 3.503
330 1HA GLY 42 HA2 GLY 42 -9.417 -5.092 5.833
331 2HA GLY 42 HA1 GLY 42 -7.822 -4.487 6.262
332 H ASP 43 HN ASP 43 -9.348 -2.556 3.869
333 HA ASP 43 HA ASP 43 -9.972 -0.503 5.948
334 1HB ASP 43 HB2 ASP 43 -9.839 0.106 3.020
335 2HB ASP 43 HB1 ASP 43 -9.326 1.087 4.382
336 H CYS 44 HN CYS 44 -11.926 0.793 5.617
337 HA CYS 44 HA CYS 44 -14.233 1.063 5.177
338 1HB CYS 44 HB2 CYS 44 -13.761 -0.786 2.834
339 2HB CYS 44 HB1 CYS 44 -14.935 0.513 2.956
340 H CYS 45 HN CYS 45 -13.381 -1.053 6.955
341 HA CYS 45 HA CYS 45 -15.028 -3.421 6.333
342 1HB CYS 45 HB2 CYS 45 -13.172 -2.553 8.558
343 2HB CYS 45 HB1 CYS 45 -14.080 -4.060 8.639
344 H HIS 46 HN HIS 46 -14.811 -1.169 9.113
345 HA HIS 46 HA HIS 46 -17.662 -1.732 9.754
346 1HB HIS 46 HB2 HIS 46 -15.234 -0.700 11.189
347 2HB HIS 46 HB1 HIS 46 -16.828 -0.290 11.822
348 HD1 HIS 46 HD1 HIS 46 -18.461 -2.448 12.229
349 HD2 HIS 46 HD2 HIS 46 -14.382 -3.242 11.896
350 HE1 HIS 46 HE1 HIS 46 -18.101 -4.765 13.188
351 H LEU 47 HN LEU 47 -17.978 -0.334 7.627
352 HA LEU 47 HA LEU 47 -17.845 2.589 8.194
353 1HB LEU 47 HB2 LEU 47 -17.221 1.070 6.002
354 2HB LEU 47 HB1 LEU 47 -18.867 1.568 5.608
355 HG LEU 47 HG LEU 47 -18.030 3.946 6.350
356 1HD1 LEU 47 HD11 LEU 47 -15.446 2.530 5.625
357 2HD1 LEU 47 HD12 LEU 47 -15.854 3.200 7.205
358 3HD1 LEU 47 HD13 LEU 47 -15.623 4.272 5.825
359 1HD2 LEU 47 HD21 LEU 47 -18.699 3.706 4.110
360 2HD2 LEU 47 HD22 LEU 47 -17.472 2.485 3.775
361 3HD2 LEU 47 HD23 LEU 47 -17.007 4.177 3.951
Start of MODEL 9
1 1H HIS 1 HT1 HIS 1 -7.422 -4.627 -9.618
2 2H HIS 1 HT2 HIS 1 -8.562 -3.539 -8.979
3 3H HIS 1 HT3 HIS 1 -7.846 -4.710 -7.978
4 HA HIS 1 HA HIS 1 -5.714 -3.645 -8.111
5 1HB HIS 1 HB2 HIS 1 -7.141 -2.430 -10.410
6 2HB HIS 1 HB1 HIS 1 -6.065 -1.338 -9.541
7 HD1 HIS 1 HD1 HIS 1 -3.641 -1.495 -10.131
8 HD2 HIS 1 HD2 HIS 1 -5.713 -4.951 -11.201
9 HE1 HIS 1 HE1 HIS 1 -1.990 -2.969 -11.362
10 H SER 2 HN SER 2 -5.267 -2.085 -6.507
11 HA SER 2 HA SER 2 -7.649 -0.719 -5.322
12 1HB SER 2 HB2 SER 2 -6.178 -2.388 -4.049
13 2HB SER 2 HB1 SER 2 -4.909 -1.169 -4.107
14 HG SER 2 HG SER 2 -6.201 0.205 -2.931
15 H SER 3 HN SER 3 -7.785 1.334 -6.212
16 HA SER 3 HA SER 3 -5.298 3.008 -6.184
17 1HB SER 3 HB2 SER 3 -6.426 4.101 -8.232
18 2HB SER 3 HB1 SER 3 -5.755 2.490 -8.464
19 HG SER 3 HG SER 3 -8.450 3.280 -8.123
20 H GLY 4 HN GLY 4 -6.257 3.528 -3.969
21 1HA GLY 4 HA2 GLY 4 -7.144 5.302 -2.682
22 2HA GLY 4 HA1 GLY 4 -7.815 5.992 -4.159
23 H TYR 5 HN TYR 5 -9.412 5.993 -1.939
24 HA TYR 5 HA TYR 5 -11.459 3.901 -2.593
25 1HB TYR 5 HB2 TYR 5 -10.363 4.861 0.058
26 2HB TYR 5 HB1 TYR 5 -11.935 4.071 -0.049
27 HD1 TYR 5 HD1 TYR 5 -8.341 3.606 -0.044
28 HD2 TYR 5 HD2 TYR 5 -12.082 1.739 -1.036
29 HE1 TYR 5 HE1 TYR 5 -7.227 1.391 -0.078
30 HE2 TYR 5 HE2 TYR 5 -10.966 -0.475 -1.071
31 HH TYR 5 HH TYR 5 -7.828 -0.949 -1.364
32 H THR 6 HN THR 6 -13.513 4.758 -2.891
33 HA THR 6 HA THR 6 -13.854 7.682 -2.368
34 HB THR 6 HB THR 6 -14.025 6.836 -4.707
35 HG1 THR 6 HG1 THR 6 -16.522 7.667 -3.645
36 1HG2 THR 6 HG21 THR 6 -15.138 4.943 -5.191
37 2HG2 THR 6 HG22 THR 6 -16.624 5.606 -4.512
38 3HG2 THR 6 HG23 THR 6 -15.489 4.745 -3.474
39 H ARG 7 HN ARG 7 -14.140 6.320 -0.084
40 HA ARG 7 HA ARG 7 -15.613 5.996 1.722
41 1HB ARG 7 HB2 ARG 7 -16.460 8.164 0.776
42 2HB ARG 7 HB1 ARG 7 -17.618 7.241 -0.178
43 1HG ARG 7 HG2 ARG 7 -17.916 6.244 2.418
44 2HG ARG 7 HG1 ARG 7 -17.736 7.986 2.632
45 1HD ARG 7 HD2 ARG 7 -20.094 7.573 2.295
46 2HD ARG 7 HD1 ARG 7 -19.487 8.255 0.773
47 HE ARG 7 HE ARG 7 -19.651 5.288 1.168
48 1HH1 ARG 7 HH11 ARG 7 -22.177 6.526 0.187
49 2HH1 ARG 7 HH12 ARG 7 -21.991 6.452 -1.532
50 1HH2 ARG 7 HH21 ARG 7 -18.561 5.907 -1.400
51 2HH2 ARG 7 HH22 ARG 7 -19.938 6.105 -2.434
52 HA PRO 8 HA PRO 8 -17.350 2.100 0.366
53 1HB PRO 8 HB2 PRO 8 -17.583 1.015 2.863
54 2HB PRO 8 HB1 PRO 8 -16.043 1.100 1.987
55 1HG PRO 8 HG2 PRO 8 -17.045 2.777 4.213
56 2HG PRO 8 HG1 PRO 8 -15.395 2.262 3.838
57 1HD PRO 8 HD2 PRO 8 -16.439 4.771 3.313
58 2HD PRO 8 HD1 PRO 8 -15.011 4.072 2.522
59 H LEU 9 HN LEU 9 -19.417 0.943 0.782
60 HA LEU 9 HA LEU 9 -21.646 2.774 1.158
61 1HB LEU 9 HB2 LEU 9 -21.129 0.306 -0.070
62 2HB LEU 9 HB1 LEU 9 -22.268 -0.081 1.217
63 HG LEU 9 HG LEU 9 -23.417 0.505 -0.909
64 1HD1 LEU 9 HD11 LEU 9 -24.355 1.018 1.417
65 2HD1 LEU 9 HD12 LEU 9 -25.057 1.924 0.077
66 3HD1 LEU 9 HD13 LEU 9 -23.869 2.690 1.132
67 1HD2 LEU 9 HD21 LEU 9 -21.510 2.253 -1.419
68 2HD2 LEU 9 HD22 LEU 9 -22.548 3.357 -0.517
69 3HD2 LEU 9 HD23 LEU 9 -23.154 2.569 -1.973
70 H ARG 10 HN ARG 10 -22.068 3.470 3.229
71 HA ARG 10 HA ARG 10 -22.630 3.404 5.514
72 1HB ARG 10 HB2 ARG 10 -24.186 1.664 4.457
73 2HB ARG 10 HB1 ARG 10 -23.047 0.442 5.022
74 1HG ARG 10 HG2 ARG 10 -24.617 0.559 6.774
75 2HG ARG 10 HG1 ARG 10 -23.302 1.588 7.342
76 1HD ARG 10 HD2 ARG 10 -24.582 3.552 6.271
77 2HD ARG 10 HD1 ARG 10 -25.962 2.440 6.171
78 HE ARG 10 HE ARG 10 -24.550 2.897 8.773
79 1HH1 ARG 10 HH11 ARG 10 -26.739 0.954 8.838
80 2HH1 ARG 10 HH12 ARG 10 -28.119 1.913 9.256
81 1HH2 ARG 10 HH21 ARG 10 -26.600 4.929 8.431
82 2HH2 ARG 10 HH22 ARG 10 -28.041 4.173 9.025
83 H LYS 11 HN LYS 11 -20.511 3.843 6.281
84 HA LYS 11 HA LYS 11 -18.392 1.941 6.546
85 1HB LYS 11 HB2 LYS 11 -19.125 4.637 7.580
86 2HB LYS 11 HB1 LYS 11 -17.866 3.770 8.460
87 1HG LYS 11 HG2 LYS 11 -16.460 3.642 6.566
88 2HG LYS 11 HG1 LYS 11 -17.781 4.001 5.454
89 1HD LYS 11 HD2 LYS 11 -16.511 6.015 5.602
90 2HD LYS 11 HD1 LYS 11 -17.941 6.282 6.598
91 1HE LYS 11 HE2 LYS 11 -16.148 7.039 7.965
92 2HE LYS 11 HE1 LYS 11 -16.460 5.399 8.564
93 1HZ LYS 11 HZ1 LYS 11 -14.075 5.871 8.025
94 2HZ LYS 11 HZ2 LYS 11 -14.524 6.003 6.392
95 3HZ LYS 11 HZ3 LYS 11 -14.727 4.531 7.216
96 HA PRO 12 HA PRO 12 -20.324 -0.197 10.020
97 1HB PRO 12 HB2 PRO 12 -18.763 -2.436 9.835
98 2HB PRO 12 HB1 PRO 12 -20.159 -2.150 8.780
99 1HG PRO 12 HG2 PRO 12 -17.270 -1.881 8.205
100 2HG PRO 12 HG1 PRO 12 -18.599 -2.351 7.137
101 1HD PRO 12 HD2 PRO 12 -17.392 0.153 7.213
102 2HD PRO 12 HD1 PRO 12 -18.970 -0.216 6.490
103 H SER 13 HN SER 13 -18.642 -1.848 11.629
104 HA SER 13 HA SER 13 -17.265 0.102 13.251
105 1HB SER 13 HB2 SER 13 -16.782 -1.835 14.630
106 2HB SER 13 HB1 SER 13 -18.394 -2.055 13.960
107 HG SER 13 HG SER 13 -16.019 -3.402 13.429
108 H ARG 14 HN ARG 14 -14.856 -0.436 13.918
109 HA ARG 14 HA ARG 14 -13.060 0.211 11.890
110 1HB ARG 14 HB2 ARG 14 -11.352 -0.834 13.470
111 2HB ARG 14 HB1 ARG 14 -12.449 0.332 14.206
112 1HG ARG 14 HG2 ARG 14 -13.298 -1.230 15.599
113 2HG ARG 14 HG1 ARG 14 -13.575 -2.354 14.270
114 1HD ARG 14 HD2 ARG 14 -11.991 -3.405 15.771
115 2HD ARG 14 HD1 ARG 14 -11.071 -2.874 14.350
116 HE ARG 14 HE ARG 14 -10.069 -1.168 15.675
117 1HH1 ARG 14 HH21 ARG 14 -10.558 -3.302 17.867
118 2HH1 ARG 14 HH22 ARG 14 -11.187 -2.307 19.137
119 1HH2 ARG 14 HH11 ARG 14 -11.816 0.404 17.053
120 2HH2 ARG 14 HH12 ARG 14 -11.905 -0.200 18.673
121 HA PRO 15 HA PRO 15 -13.123 -3.755 9.734
122 1HB PRO 15 HB2 PRO 15 -12.403 -2.744 7.305
123 2HB PRO 15 HB1 PRO 15 -14.063 -2.675 7.923
124 1HG PRO 15 HG2 PRO 15 -12.065 -0.533 7.670
125 2HG PRO 15 HG1 PRO 15 -13.829 -0.436 7.706
126 1HD PRO 15 HD2 PRO 15 -12.039 0.130 9.825
127 2HD PRO 15 HD1 PRO 15 -13.811 0.053 9.905
128 H ILE 16 HN ILE 16 -11.412 -5.055 8.796
129 HA ILE 16 HA ILE 16 -8.768 -4.535 9.857
130 HB ILE 16 HB ILE 16 -8.216 -6.638 8.672
131 1HG1 ILE 16 HG12 ILE 16 -11.014 -6.472 7.508
132 2HG1 ILE 16 HG11 ILE 16 -9.557 -6.068 6.603
133 1HG2 ILE 16 HG21 ILE 16 -9.702 -6.497 10.811
134 2HG2 ILE 16 HG22 ILE 16 -9.608 -8.032 9.947
135 3HG2 ILE 16 HG23 ILE 16 -11.012 -6.986 9.736
136 1HD1 ILE 16 HD11 ILE 16 -8.682 -8.347 6.998
137 2HD1 ILE 16 HD12 ILE 16 -10.235 -8.396 6.164
138 3HD1 ILE 16 HD13 ILE 16 -10.149 -8.752 7.889
139 H PHE 17 HN PHE 17 -6.792 -4.266 8.518
140 HA PHE 17 HA PHE 17 -7.344 -2.931 5.897
141 1HB PHE 17 HB2 PHE 17 -6.861 -1.327 7.689
142 2HB PHE 17 HB1 PHE 17 -5.374 -2.190 8.078
143 HD1 PHE 17 HD1 PHE 17 -3.480 -1.037 7.365
144 HD2 PHE 17 HD2 PHE 17 -6.990 -1.025 4.886
145 HE1 PHE 17 HE1 PHE 17 -2.265 0.277 5.648
146 HE2 PHE 17 HE2 PHE 17 -5.774 0.288 3.171
147 HZ PHE 17 HZ PHE 17 -3.412 0.940 3.552
148 H ILE 18 HN ILE 18 -5.989 -3.461 4.232
149 HA ILE 18 HA ILE 18 -4.023 -5.650 4.678
150 HB ILE 18 HB ILE 18 -4.230 -5.934 2.244
151 1HG1 ILE 18 HG12 ILE 18 -6.125 -3.564 2.288
152 2HG1 ILE 18 HG11 ILE 18 -4.438 -3.439 1.794
153 1HG2 ILE 18 HG21 ILE 18 -6.448 -6.724 2.204
154 2HG2 ILE 18 HG22 ILE 18 -7.027 -5.424 3.245
155 3HG2 ILE 18 HG23 ILE 18 -6.046 -6.724 3.921
156 1HD1 ILE 18 HD11 ILE 18 -5.934 -5.633 0.501
157 2HD1 ILE 18 HD12 ILE 18 -4.818 -4.461 -0.203
158 3HD1 ILE 18 HD13 ILE 18 -6.499 -4.014 0.088
159 H ARG 19 HN ARG 19 -2.129 -5.372 2.880
160 HA ARG 19 HA ARG 19 -0.377 -3.362 3.770
161 1HB ARG 19 HB2 ARG 19 1.042 -4.161 2.073
162 2HB ARG 19 HB1 ARG 19 -0.048 -5.520 2.317
163 1HG ARG 19 HG2 ARG 19 -0.476 -3.396 0.191
164 2HG ARG 19 HG1 ARG 19 0.357 -4.918 -0.109
165 1HD ARG 19 HD2 ARG 19 -1.660 -6.175 0.584
166 2HD ARG 19 HD1 ARG 19 -2.507 -4.643 0.877
167 HE ARG 19 HE ARG 19 -1.906 -4.149 -1.606
168 1HH1 ARG 19 HH11 ARG 19 -4.007 -6.396 -0.596
169 2HH1 ARG 19 HH12 ARG 19 -3.852 -7.484 -1.933
170 1HH2 ARG 19 HH21 ARG 19 -1.012 -5.932 -3.206
171 2HH2 ARG 19 HH22 ARG 19 -2.150 -7.222 -3.418
172 HA PRO 20 HA PRO 20 -2.023 0.293 1.932
173 1HB PRO 20 HB2 PRO 20 0.220 1.861 2.133
174 2HB PRO 20 HB1 PRO 20 -0.835 1.481 3.512
175 1HG PRO 20 HG2 PRO 20 1.774 0.279 2.735
176 2HG PRO 20 HG1 PRO 20 1.144 0.665 4.341
177 1HD PRO 20 HD2 PRO 20 1.163 -1.855 3.320
178 2HD PRO 20 HD1 PRO 20 -0.041 -1.287 4.491
179 H ILE 21 HN ILE 21 -1.362 1.892 0.154
180 HA ILE 21 HA ILE 21 -0.576 0.417 -2.230
181 HB ILE 21 HB ILE 21 -1.138 3.367 -1.752
182 1HG1 ILE 21 HG12 ILE 21 -3.261 1.876 -3.024
183 2HG1 ILE 21 HG11 ILE 21 -2.843 1.124 -1.487
184 1HG2 ILE 21 HG21 ILE 21 -1.885 3.163 -4.209
185 2HG2 ILE 21 HG22 ILE 21 -0.986 1.647 -4.233
186 3HG2 ILE 21 HG23 ILE 21 -0.148 3.164 -3.904
187 1HD1 ILE 21 HD11 ILE 21 -4.482 2.769 -0.952
188 2HD1 ILE 21 HD12 ILE 21 -3.716 3.974 -1.987
189 3HD1 ILE 21 HD13 ILE 21 -2.939 3.482 -0.482
190 H GLY 22 HN GLY 22 1.103 1.382 -3.720
191 1HA GLY 22 HA2 GLY 22 3.162 2.711 -3.982
192 2HA GLY 22 HA1 GLY 22 3.415 2.556 -2.244
193 H CYS 23 HN CYS 23 3.365 0.089 -1.564
194 HA CYS 23 HA CYS 23 5.638 -1.205 -2.778
195 1HB CYS 23 HB2 CYS 23 3.505 -1.925 -0.780
196 2HB CYS 23 HB1 CYS 23 4.664 -3.139 -1.292
197 H ASP 24 HN ASP 24 2.171 -1.441 -3.260
198 HA ASP 24 HA ASP 24 2.199 -3.917 -4.779
199 1HB ASP 24 HB2 ASP 24 0.237 -1.628 -4.437
200 2HB ASP 24 HB1 ASP 24 -0.151 -3.117 -5.293
201 H VAL 25 HN VAL 25 3.535 -0.974 -5.610
202 HA VAL 25 HA VAL 25 3.185 -1.504 -8.505
203 HB VAL 25 HB VAL 25 2.949 1.253 -7.257
204 1HG1 VAL 25 HG11 VAL 25 2.307 1.976 -9.392
205 2HG1 VAL 25 HG12 VAL 25 1.842 0.355 -9.908
206 3HG1 VAL 25 HG13 VAL 25 3.547 0.778 -9.760
207 1HG2 VAL 25 HG21 VAL 25 0.809 -0.795 -7.870
208 2HG2 VAL 25 HG22 VAL 25 0.451 0.931 -7.847
209 3HG2 VAL 25 HG23 VAL 25 1.040 0.134 -6.389
210 H CYS 26 HN CYS 26 5.420 -2.349 -7.793
211 HA CYS 26 HA CYS 26 7.588 -0.820 -6.911
212 1HB CYS 26 HB2 CYS 26 7.278 -3.071 -8.898
213 2HB CYS 26 HB1 CYS 26 8.871 -2.438 -8.499
214 H TYR 27 HN TYR 27 5.955 -0.605 -10.007
215 HA TYR 27 HA TYR 27 8.155 1.096 -11.095
216 1HB TYR 27 HB2 TYR 27 5.725 0.016 -12.539
217 2HB TYR 27 HB1 TYR 27 7.246 0.554 -13.242
218 HD1 TYR 27 HD1 TYR 27 5.404 -2.254 -12.015
219 HD2 TYR 27 HD2 TYR 27 9.392 -0.754 -12.566
220 HE1 TYR 27 HE1 TYR 27 6.295 -4.560 -11.842
221 HE2 TYR 27 HE2 TYR 27 10.282 -3.062 -12.394
222 HH TYR 27 HH TYR 27 9.107 -5.387 -11.098
223 H GLY 28 HN GLY 28 7.835 3.275 -11.182
224 1HA GLY 28 HA2 GLY 28 6.361 5.147 -11.858
225 2HA GLY 28 HA1 GLY 28 5.032 4.307 -11.066
226 H ILE 29 HN ILE 29 6.836 3.588 -8.741
227 HA ILE 29 HA ILE 29 6.384 6.068 -7.236
228 HB ILE 29 HB ILE 29 6.952 4.673 -5.308
229 1HG1 ILE 29 HG12 ILE 29 7.686 2.522 -7.320
230 2HG1 ILE 29 HG11 ILE 29 8.857 3.474 -6.408
231 1HG2 ILE 29 HG21 ILE 29 5.231 2.972 -5.543
232 2HG2 ILE 29 HG22 ILE 29 5.319 3.080 -7.301
233 3HG2 ILE 29 HG23 ILE 29 4.705 4.442 -6.363
234 1HD1 ILE 29 HD11 ILE 29 7.723 2.666 -4.293
235 2HD1 ILE 29 HD12 ILE 29 8.543 1.405 -5.214
236 3HD1 ILE 29 HD13 ILE 29 6.788 1.559 -5.298
237 HA PRO 30 HA PRO 30 10.500 7.547 -7.255
238 1HB PRO 30 HB2 PRO 30 10.702 8.601 -4.731
239 2HB PRO 30 HB1 PRO 30 9.778 9.359 -6.043
240 1HG PRO 30 HG2 PRO 30 8.829 7.810 -3.714
241 2HG PRO 30 HG1 PRO 30 8.052 9.136 -4.580
242 1HD PRO 30 HD2 PRO 30 7.402 6.455 -4.855
243 2HD PRO 30 HD1 PRO 30 7.005 7.728 -6.023
244 H SER 31 HN SER 31 12.653 7.154 -6.427
245 HA SER 31 HA SER 31 13.222 4.488 -5.642
246 1HB SER 31 HB2 SER 31 14.678 6.319 -6.732
247 2HB SER 31 HB1 SER 31 14.987 6.877 -5.091
248 HG SER 31 HG SER 31 16.508 5.293 -5.968
249 H SER 32 HN SER 32 12.994 7.451 -3.646
250 HA SER 32 HA SER 32 13.885 6.320 -1.182
251 1HB SER 32 HB2 SER 32 13.373 8.766 -1.886
252 2HB SER 32 HB1 SER 32 11.705 8.400 -1.455
253 HG SER 32 HG SER 32 12.931 9.288 0.291
254 H THR 33 HN THR 33 10.586 6.573 -2.546
255 HA THR 33 HA THR 33 9.293 5.190 -0.348
256 HB THR 33 HB THR 33 8.526 5.578 -3.261
257 HG1 THR 33 HG1 THR 33 7.778 7.046 -0.948
258 1HG2 THR 33 HG21 THR 33 7.127 4.388 -0.926
259 2HG2 THR 33 HG22 THR 33 6.932 4.055 -2.647
260 3HG2 THR 33 HG23 THR 33 6.177 5.481 -1.934
261 H ALA 34 HN ALA 34 10.598 4.200 -3.506
262 HA ALA 34 HA ALA 34 9.783 1.457 -3.434
263 1HB ALA 34 HB1 ALA 34 11.493 1.229 -5.193
264 2HB ALA 34 HB2 ALA 34 12.214 2.763 -4.707
265 3HB ALA 34 HB3 ALA 34 10.600 2.733 -5.416
266 H ARG 35 HN ARG 35 12.707 3.108 -2.200
267 HA ARG 35 HA ARG 35 14.141 0.737 -1.419
268 1HB ARG 35 HB2 ARG 35 15.023 3.099 -1.646
269 2HB ARG 35 HB1 ARG 35 14.182 3.496 -0.147
270 1HG ARG 35 HG2 ARG 35 15.457 1.553 0.920
271 2HG ARG 35 HG1 ARG 35 16.449 1.530 -0.539
272 1HD ARG 35 HD2 ARG 35 17.627 3.350 0.135
273 2HD ARG 35 HD1 ARG 35 16.146 4.239 0.540
274 HE ARG 35 HE ARG 35 16.208 2.466 2.581
275 1HH1 ARG 35 HH21 ARG 35 17.194 5.274 2.996
276 2HH1 ARG 35 HH22 ARG 35 18.788 5.008 3.618
277 1HH2 ARG 35 HH11 ARG 35 18.925 1.696 2.570
278 2HH2 ARG 35 HH12 ARG 35 19.773 2.973 3.375
279 H LEU 36 HN LEU 36 11.837 2.845 0.302
280 HA LEU 36 HA LEU 36 11.945 1.516 2.852
281 1HB LEU 36 HB2 LEU 36 10.960 3.803 2.103
282 2HB LEU 36 HB1 LEU 36 9.527 2.880 1.656
283 HG LEU 36 HG LEU 36 10.594 2.280 4.348
284 1HD1 LEU 36 HD11 LEU 36 9.409 4.984 3.655
285 2HD1 LEU 36 HD12 LEU 36 10.990 4.671 4.372
286 3HD1 LEU 36 HD13 LEU 36 9.523 4.350 5.297
287 1HD2 LEU 36 HD21 LEU 36 8.311 2.018 4.856
288 2HD2 LEU 36 HD22 LEU 36 8.386 1.539 3.161
289 3HD2 LEU 36 HD23 LEU 36 7.804 3.145 3.599
290 H CYS 37 HN CYS 37 9.927 1.050 -0.043
291 HA CYS 37 HA CYS 37 8.137 -0.925 1.007
292 1HB CYS 37 HB2 CYS 37 9.006 0.182 -1.589
293 2HB CYS 37 HB1 CYS 37 8.409 -1.470 -1.673
294 H CYS 38 HN CYS 38 11.423 -1.142 -0.276
295 HA CYS 38 HA CYS 38 11.387 -4.087 -0.399
296 1HB CYS 38 HB2 CYS 38 12.642 -2.851 -2.053
297 2HB CYS 38 HB1 CYS 38 13.464 -1.915 -0.809
298 H PHE 39 HN PHE 39 12.709 -1.504 1.638
299 HA PHE 39 HA PHE 39 14.285 -3.143 3.390
300 1HB PHE 39 HB2 PHE 39 14.746 -0.832 3.323
301 2HB PHE 39 HB1 PHE 39 13.044 -0.397 3.449
302 HD1 PHE 39 HD1 PHE 39 15.830 -2.000 5.364
303 HD2 PHE 39 HD2 PHE 39 12.087 0.102 5.543
304 HE1 PHE 39 HE1 PHE 39 16.059 -1.801 7.825
305 HE2 PHE 39 HE2 PHE 39 12.318 0.301 8.003
306 HZ PHE 39 HZ PHE 39 14.303 -0.650 9.144
307 H ARG 40 HN ARG 40 10.897 -2.032 3.566
308 HA ARG 40 HA ARG 40 10.557 -3.482 6.141
309 1HB ARG 40 HB2 ARG 40 9.325 -1.221 4.698
310 2HB ARG 40 HB1 ARG 40 8.192 -2.234 5.589
311 1HG ARG 40 HG2 ARG 40 9.203 -1.792 7.649
312 2HG ARG 40 HG1 ARG 40 10.738 -1.341 6.908
313 1HD ARG 40 HD2 ARG 40 9.526 0.659 7.765
314 2HD ARG 40 HD1 ARG 40 9.687 0.721 5.999
315 HE ARG 40 HE ARG 40 7.344 0.419 5.830
316 1HH1 ARG 40 HH21 ARG 40 7.264 1.578 8.663
317 2HH1 ARG 40 HH22 ARG 40 6.249 0.426 9.463
318 1HH2 ARG 40 HH11 ARG 40 6.564 -1.973 6.966
319 2HH2 ARG 40 HH12 ARG 40 5.852 -1.594 8.498
320 H TYR 41 HN TYR 41 8.743 -3.213 3.036
321 HA TYR 41 HA TYR 41 7.233 -5.643 3.657
322 1HB TYR 41 HB2 TYR 41 7.396 -3.805 1.259
323 2HB TYR 41 HB1 TYR 41 6.270 -5.152 1.382
324 HD1 TYR 41 HD1 TYR 41 4.329 -5.050 2.796
325 HD2 TYR 41 HD2 TYR 41 7.227 -1.878 2.832
326 HE1 TYR 41 HE1 TYR 41 2.760 -3.632 4.087
327 HE2 TYR 41 HE2 TYR 41 5.658 -0.460 4.127
328 HH TYR 41 HH TYR 41 2.757 -1.721 5.525
329 H GLY 42 HN GLY 42 9.892 -4.759 1.486
330 1HA GLY 42 HA2 GLY 42 11.579 -6.372 0.841
331 2HA GLY 42 HA1 GLY 42 10.399 -7.657 1.067
332 H ASP 43 HN ASP 43 9.057 -4.986 -0.604
333 HA ASP 43 HA ASP 43 9.287 -6.493 -3.173
334 1HB ASP 43 HB2 ASP 43 7.371 -4.231 -2.763
335 2HB ASP 43 HB1 ASP 43 7.152 -5.722 -3.663
336 H CYS 44 HN CYS 44 9.606 -5.228 -5.140
337 HA CYS 44 HA CYS 44 10.690 -3.588 -6.447
338 1HB CYS 44 HB2 CYS 44 10.302 -1.741 -4.088
339 2HB CYS 44 HB1 CYS 44 10.317 -1.324 -5.792
340 H CYS 45 HN CYS 45 12.286 -5.327 -4.788
341 HA CYS 45 HA CYS 45 14.384 -3.709 -3.517
342 1HB CYS 45 HB2 CYS 45 13.872 -6.641 -4.050
343 2HB CYS 45 HB1 CYS 45 15.386 -6.088 -3.341
344 H HIS 46 HN HIS 46 14.379 -6.124 -6.163
345 HA HIS 46 HA HIS 46 16.851 -4.912 -7.267
346 1HB HIS 46 HB2 HIS 46 15.409 -7.500 -7.353
347 2HB HIS 46 HB1 HIS 46 16.220 -7.049 -8.853
348 HD1 HIS 46 HD1 HIS 46 18.835 -6.174 -8.414
349 HD2 HIS 46 HD2 HIS 46 17.132 -8.687 -5.556
350 HE1 HIS 46 HE1 HIS 46 20.756 -7.146 -7.078
351 H LEU 47 HN LEU 47 15.864 -2.944 -8.113
352 HA LEU 47 HA LEU 47 14.165 -3.403 -10.542
353 1HB LEU 47 HB2 LEU 47 13.568 -2.046 -8.166
354 2HB LEU 47 HB1 LEU 47 13.964 -0.764 -9.309
355 HG LEU 47 HG LEU 47 12.413 -2.321 -10.892
356 1HD1 LEU 47 HD11 LEU 47 11.091 -2.508 -8.178
357 2HD1 LEU 47 HD12 LEU 47 12.044 -3.830 -8.852
358 3HD1 LEU 47 HD13 LEU 47 10.592 -3.277 -9.685
359 1HD2 LEU 47 HD21 LEU 47 11.235 -0.351 -8.916
360 2HD2 LEU 47 HD22 LEU 47 10.691 -0.681 -10.560
361 3HD2 LEU 47 HD23 LEU 47 12.224 0.148 -10.288
Start of MODEL 10
1 1H HIS 1 HT1 HIS 1 30.988 4.439 -11.491
2 2H HIS 1 HT2 HIS 1 31.275 3.154 -12.564
3 3H HIS 1 HT3 HIS 1 30.796 2.838 -10.964
4 HA HIS 1 HA HIS 1 29.113 4.243 -12.983
5 1HB HIS 1 HB2 HIS 1 29.592 1.397 -12.225
6 2HB HIS 1 HB1 HIS 1 27.918 1.867 -12.514
7 HD1 HIS 1 HD1 HIS 1 27.371 2.885 -14.912
8 HD2 HIS 1 HD2 HIS 1 31.171 1.209 -14.536
9 HE1 HIS 1 HE1 HIS 1 28.261 2.590 -17.265
10 H SER 2 HN SER 2 27.178 5.003 -12.116
11 HA SER 2 HA SER 2 25.641 5.703 -10.476
12 1HB SER 2 HB2 SER 2 26.494 3.073 -9.219
13 2HB SER 2 HB1 SER 2 24.994 3.939 -8.898
14 HG SER 2 HG SER 2 24.508 2.439 -10.432
15 H SER 3 HN SER 3 27.315 7.407 -9.962
16 HA SER 3 HA SER 3 29.184 7.115 -7.791
17 1HB SER 3 HB2 SER 3 29.051 9.668 -7.890
18 2HB SER 3 HB1 SER 3 29.450 8.869 -9.407
19 HG SER 3 HG SER 3 27.817 10.404 -9.727
20 H GLY 4 HN GLY 4 28.929 7.546 -5.584
21 1HA GLY 4 HA2 GLY 4 27.772 8.415 -3.651
22 2HA GLY 4 HA1 GLY 4 26.298 8.509 -4.613
23 H TYR 5 HN TYR 5 25.551 6.254 -5.453
24 HA TYR 5 HA TYR 5 24.818 4.062 -4.999
25 1HB TYR 5 HB2 TYR 5 27.508 4.158 -4.386
26 2HB TYR 5 HB1 TYR 5 26.806 3.554 -2.885
27 HD1 TYR 5 HD1 TYR 5 27.832 2.706 -6.205
28 HD2 TYR 5 HD2 TYR 5 25.100 1.604 -3.077
29 HE1 TYR 5 HE1 TYR 5 27.556 0.467 -7.234
30 HE2 TYR 5 HE2 TYR 5 24.825 -0.634 -4.107
31 HH TYR 5 HH TYR 5 25.248 -1.446 -6.879
32 H THR 6 HN THR 6 22.904 3.998 -3.902
33 HA THR 6 HA THR 6 22.683 5.112 -1.171
34 HB THR 6 HB THR 6 20.662 3.867 -3.070
35 HG1 THR 6 HG1 THR 6 20.276 5.902 -3.712
36 1HG2 THR 6 HG21 THR 6 20.289 5.509 -0.548
37 2HG2 THR 6 HG22 THR 6 19.913 3.796 -0.732
38 3HG2 THR 6 HG23 THR 6 18.994 5.002 -1.632
39 H ARG 7 HN ARG 7 22.631 3.839 0.640
40 HA ARG 7 HA ARG 7 23.103 0.966 0.438
41 1HB ARG 7 HB2 ARG 7 22.676 2.943 2.692
42 2HB ARG 7 HB1 ARG 7 22.964 1.229 2.986
43 1HG ARG 7 HG2 ARG 7 25.175 1.519 2.705
44 2HG ARG 7 HG1 ARG 7 24.904 2.177 1.091
45 1HD ARG 7 HD2 ARG 7 25.449 4.244 1.834
46 2HD ARG 7 HD1 ARG 7 24.150 4.165 3.040
47 HE ARG 7 HE ARG 7 26.928 3.145 3.483
48 1HH1 ARG 7 HH11 ARG 7 24.675 1.883 5.100
49 2HH1 ARG 7 HH12 ARG 7 24.718 2.839 6.544
50 1HH2 ARG 7 HH21 ARG 7 26.628 5.372 5.121
51 2HH2 ARG 7 HH22 ARG 7 25.828 4.823 6.555
52 HA PRO 8 HA PRO 8 18.839 -0.210 0.625
53 1HB PRO 8 HB2 PRO 8 19.163 -2.815 1.392
54 2HB PRO 8 HB1 PRO 8 19.510 -2.242 -0.251
55 1HG PRO 8 HG2 PRO 8 21.377 -2.853 1.975
56 2HG PRO 8 HG1 PRO 8 21.574 -3.099 0.234
57 1HD PRO 8 HD2 PRO 8 22.708 -1.035 1.655
58 2HD PRO 8 HD1 PRO 8 22.390 -0.999 -0.092
59 H LEU 9 HN LEU 9 17.224 -0.375 2.218
60 HA LEU 9 HA LEU 9 17.970 0.224 4.969
61 1HB LEU 9 HB2 LEU 9 15.550 0.033 3.273
62 2HB LEU 9 HB1 LEU 9 15.284 -0.313 4.981
63 HG LEU 9 HG LEU 9 16.609 1.843 5.452
64 1HD1 LEU 9 HD11 LEU 9 15.952 2.251 2.517
65 2HD1 LEU 9 HD12 LEU 9 17.570 2.102 3.203
66 3HD1 LEU 9 HD13 LEU 9 16.567 3.496 3.604
67 1HD2 LEU 9 HD21 LEU 9 14.280 1.904 5.878
68 2HD2 LEU 9 HD22 LEU 9 13.877 1.753 4.167
69 3HD2 LEU 9 HD23 LEU 9 14.546 3.263 4.786
70 H ARG 10 HN ARG 10 16.915 -1.101 6.793
71 HA ARG 10 HA ARG 10 17.948 -3.748 6.866
72 1HB ARG 10 HB2 ARG 10 16.900 -1.931 8.627
73 2HB ARG 10 HB1 ARG 10 15.610 -3.132 8.578
74 1HG ARG 10 HG2 ARG 10 17.873 -4.706 8.731
75 2HG ARG 10 HG1 ARG 10 18.302 -3.325 9.742
76 1HD ARG 10 HD2 ARG 10 16.566 -3.725 11.261
77 2HD ARG 10 HD1 ARG 10 15.596 -4.611 10.067
78 HE ARG 10 HE ARG 10 17.295 -6.450 10.219
79 1HH1 ARG 10 HH21 ARG 10 19.505 -5.079 11.608
80 2HH1 ARG 10 HH22 ARG 10 19.294 -5.563 13.257
81 1HH2 ARG 10 HH11 ARG 10 16.013 -6.616 12.804
82 2HH2 ARG 10 HH12 ARG 10 17.309 -6.432 13.938
83 H LYS 11 HN LYS 11 17.234 -5.426 5.616
84 HA LYS 11 HA LYS 11 14.723 -5.558 4.274
85 1HB LYS 11 HB2 LYS 11 15.415 -7.962 3.933
86 2HB LYS 11 HB1 LYS 11 16.670 -6.793 3.527
87 1HG LYS 11 HG2 LYS 11 18.063 -7.732 5.023
88 2HG LYS 11 HG1 LYS 11 16.898 -7.452 6.315
89 1HD LYS 11 HD2 LYS 11 15.694 -9.545 5.566
90 2HD LYS 11 HD1 LYS 11 17.045 -9.854 4.475
91 1HE LYS 11 HE2 LYS 11 17.780 -11.046 6.333
92 2HE LYS 11 HE1 LYS 11 18.451 -9.453 6.736
93 1HZ LYS 11 HZ1 LYS 11 17.222 -9.974 8.615
94 2HZ LYS 11 HZ2 LYS 11 15.980 -10.726 7.734
95 3HZ LYS 11 HZ3 LYS 11 16.122 -9.032 7.730
96 HA PRO 12 HA PRO 12 12.303 -6.773 7.841
97 1HB PRO 12 HB2 PRO 12 9.879 -6.629 6.583
98 2HB PRO 12 HB1 PRO 12 10.758 -5.197 7.149
99 1HG PRO 12 HG2 PRO 12 10.475 -6.280 4.407
100 2HG PRO 12 HG1 PRO 12 10.605 -4.603 4.955
101 1HD PRO 12 HD2 PRO 12 12.664 -6.083 3.840
102 2HD PRO 12 HD1 PRO 12 12.867 -4.619 4.823
103 H SER 13 HN SER 13 9.973 -8.316 7.539
104 HA SER 13 HA SER 13 11.106 -10.913 6.644
105 1HB SER 13 HB2 SER 13 9.081 -9.929 8.594
106 2HB SER 13 HB1 SER 13 8.784 -11.516 7.891
107 HG SER 13 HG SER 13 10.851 -10.631 9.554
108 H ARG 14 HN ARG 14 10.605 -9.703 4.381
109 HA ARG 14 HA ARG 14 9.451 -9.924 2.343
110 1HB ARG 14 HB2 ARG 14 9.181 -12.263 3.403
111 2HB ARG 14 HB1 ARG 14 7.552 -11.745 3.826
112 1HG ARG 14 HG2 ARG 14 7.222 -12.771 1.746
113 2HG ARG 14 HG1 ARG 14 7.376 -11.071 1.307
114 1HD ARG 14 HD2 ARG 14 9.778 -11.418 0.790
115 2HD ARG 14 HD1 ARG 14 9.609 -13.135 1.209
116 HE ARG 14 HE ARG 14 7.648 -12.190 -0.762
117 1HH1 ARG 14 HH21 ARG 14 8.529 -15.009 -0.683
118 2HH1 ARG 14 HH22 ARG 14 9.634 -15.109 -2.012
119 1HH2 ARG 14 HH11 ARG 14 10.045 -11.665 -2.265
120 2HH2 ARG 14 HH12 ARG 14 10.497 -13.207 -2.912
121 HA PRO 15 HA PRO 15 6.282 -6.870 2.964
122 1HB PRO 15 HB2 PRO 15 5.625 -6.496 0.338
123 2HB PRO 15 HB1 PRO 15 7.109 -5.844 1.062
124 1HG PRO 15 HG2 PRO 15 6.736 -8.239 -0.656
125 2HG PRO 15 HG1 PRO 15 8.068 -7.075 -0.613
126 1HD PRO 15 HD2 PRO 15 8.165 -9.567 0.525
127 2HD PRO 15 HD1 PRO 15 9.154 -8.188 1.051
128 H ILE 16 HN ILE 16 3.931 -6.573 2.263
129 HA ILE 16 HA ILE 16 2.366 -8.892 2.830
130 HB ILE 16 HB ILE 16 1.781 -6.186 1.589
131 1HG1 ILE 16 HG12 ILE 16 1.131 -7.341 4.321
132 2HG1 ILE 16 HG11 ILE 16 2.535 -6.329 3.983
133 1HG2 ILE 16 HG21 ILE 16 -0.619 -6.667 2.066
134 2HG2 ILE 16 HG22 ILE 16 -0.185 -8.329 2.461
135 3HG2 ILE 16 HG23 ILE 16 0.038 -7.726 0.819
136 1HD1 ILE 16 HD11 ILE 16 0.796 -4.893 4.852
137 2HD1 ILE 16 HD12 ILE 16 -0.384 -5.552 3.719
138 3HD1 ILE 16 HD13 ILE 16 0.948 -4.560 3.127
139 H PHE 17 HN PHE 17 0.838 -9.997 1.367
140 HA PHE 17 HA PHE 17 2.002 -11.000 -1.037
141 1HB PHE 17 HB2 PHE 17 -0.660 -11.077 0.337
142 2HB PHE 17 HB1 PHE 17 -0.564 -11.673 -1.317
143 HD1 PHE 17 HD1 PHE 17 1.154 -13.462 -1.885
144 HD2 PHE 17 HD2 PHE 17 0.177 -12.364 2.152
145 HE1 PHE 17 HE1 PHE 17 2.143 -15.583 -1.069
146 HE2 PHE 17 HE2 PHE 17 1.167 -14.487 2.968
147 HZ PHE 17 HZ PHE 17 2.150 -16.096 1.358
148 H ILE 18 HN ILE 18 0.553 -10.953 -3.147
149 HA ILE 18 HA ILE 18 0.835 -8.550 -4.512
150 HB ILE 18 HB ILE 18 -1.185 -10.793 -4.779
151 1HG1 ILE 18 HG12 ILE 18 0.933 -10.414 -6.782
152 2HG1 ILE 18 HG11 ILE 18 1.551 -10.720 -5.162
153 1HG2 ILE 18 HG21 ILE 18 -2.149 -8.919 -5.954
154 2HG2 ILE 18 HG22 ILE 18 -1.405 -9.964 -7.164
155 3HG2 ILE 18 HG23 ILE 18 -0.589 -8.486 -6.654
156 1HD1 ILE 18 HD11 ILE 18 0.026 -12.703 -5.010
157 2HD1 ILE 18 HD12 ILE 18 1.235 -12.854 -6.285
158 3HD1 ILE 18 HD13 ILE 18 -0.429 -12.432 -6.692
159 H ARG 19 HN ARG 19 -0.293 -6.649 -4.666
160 HA ARG 19 HA ARG 19 -2.251 -5.946 -2.672
161 1HB ARG 19 HB2 ARG 19 -0.764 -4.278 -3.463
162 2HB ARG 19 HB1 ARG 19 -1.098 -4.662 -5.148
163 1HG ARG 19 HG2 ARG 19 -2.271 -2.633 -4.697
164 2HG ARG 19 HG1 ARG 19 -3.497 -3.897 -4.715
165 1HD ARG 19 HD2 ARG 19 -4.042 -3.487 -2.549
166 2HD ARG 19 HD1 ARG 19 -2.340 -3.566 -2.048
167 HE ARG 19 HE ARG 19 -3.689 -1.124 -3.124
168 1HH1 ARG 19 HH11 ARG 19 -0.580 -1.932 -3.286
169 2HH1 ARG 19 HH12 ARG 19 0.027 -0.831 -2.096
170 1HH2 ARG 19 HH21 ARG 19 -3.118 -0.011 -0.867
171 2HH2 ARG 19 HH22 ARG 19 -1.413 0.254 -0.719
172 HA PRO 20 HA PRO 20 -5.694 -7.576 -4.995
173 1HB PRO 20 HB2 PRO 20 -7.585 -6.942 -3.113
174 2HB PRO 20 HB1 PRO 20 -6.527 -8.363 -2.993
175 1HG PRO 20 HG2 PRO 20 -6.335 -5.740 -1.614
176 2HG PRO 20 HG1 PRO 20 -5.948 -7.360 -1.021
177 1HD PRO 20 HD2 PRO 20 -4.068 -5.545 -1.856
178 2HD PRO 20 HD1 PRO 20 -3.830 -7.299 -1.866
179 H ILE 21 HN ILE 21 -7.676 -6.630 -5.909
180 HA ILE 21 HA ILE 21 -7.327 -3.878 -6.760
181 HB ILE 21 HB ILE 21 -9.578 -5.892 -7.114
182 1HG1 ILE 21 HG12 ILE 21 -7.905 -5.387 -9.424
183 2HG1 ILE 21 HG11 ILE 21 -6.919 -5.905 -8.060
184 1HG2 ILE 21 HG21 ILE 21 -10.039 -4.508 -9.185
185 2HG2 ILE 21 HG22 ILE 21 -8.936 -3.294 -8.537
186 3HG2 ILE 21 HG23 ILE 21 -10.414 -3.699 -7.664
187 1HD1 ILE 21 HD11 ILE 21 -7.565 -7.938 -9.062
188 2HD1 ILE 21 HD12 ILE 21 -9.197 -7.360 -9.394
189 3HD1 ILE 21 HD13 ILE 21 -8.719 -7.753 -7.742
190 H GLY 22 HN GLY 22 -9.061 -2.247 -6.551
191 1HA GLY 22 HA2 GLY 22 -11.102 -1.472 -5.384
192 2HA GLY 22 HA1 GLY 22 -10.619 -2.472 -4.015
193 H CYS 23 HN CYS 23 -8.219 -1.901 -3.321
194 HA CYS 23 HA CYS 23 -8.233 0.783 -2.287
195 1HB CYS 23 HB2 CYS 23 -6.325 -1.520 -2.450
196 2HB CYS 23 HB1 CYS 23 -5.728 0.022 -1.860
197 H ASP 24 HN ASP 24 -6.775 -0.650 -5.160
198 HA ASP 24 HA ASP 24 -5.144 1.718 -5.751
199 1HB ASP 24 HB2 ASP 24 -5.583 -1.029 -6.740
200 2HB ASP 24 HB1 ASP 24 -5.196 0.136 -8.004
201 H VAL 25 HN VAL 25 -8.350 1.542 -5.734
202 HA VAL 25 HA VAL 25 -8.672 3.261 -8.128
203 HB VAL 25 HB VAL 25 -10.567 1.007 -7.380
204 1HG1 VAL 25 HG11 VAL 25 -10.422 3.083 -9.513
205 2HG1 VAL 25 HG12 VAL 25 -11.832 2.375 -8.725
206 3HG1 VAL 25 HG13 VAL 25 -10.992 1.485 -9.994
207 1HG2 VAL 25 HG21 VAL 25 -9.594 -0.087 -9.489
208 2HG2 VAL 25 HG22 VAL 25 -8.565 -0.114 -8.057
209 3HG2 VAL 25 HG23 VAL 25 -8.260 1.056 -9.341
210 H CYS 26 HN CYS 26 -8.477 4.562 -5.923
211 HA CYS 26 HA CYS 26 -10.436 4.712 -3.944
212 1HB CYS 26 HB2 CYS 26 -8.813 6.802 -5.405
213 2HB CYS 26 HB1 CYS 26 -9.825 7.222 -4.028
214 H TYR 27 HN TYR 27 -10.740 5.655 -7.313
215 HA TYR 27 HA TYR 27 -13.381 6.926 -6.746
216 1HB TYR 27 HB2 TYR 27 -11.671 6.916 -9.251
217 2HB TYR 27 HB1 TYR 27 -13.088 7.921 -8.963
218 HD1 TYR 27 HD1 TYR 27 -9.538 7.699 -8.650
219 HD2 TYR 27 HD2 TYR 27 -13.022 9.481 -6.877
220 HE1 TYR 27 HE1 TYR 27 -8.110 9.406 -7.557
221 HE2 TYR 27 HE2 TYR 27 -11.594 11.187 -5.785
222 HH TYR 27 HH TYR 27 -8.931 11.155 -5.055
223 H GLY 28 HN GLY 28 -15.197 5.811 -7.287
224 1HA GLY 28 HA2 GLY 28 -16.423 4.508 -9.004
225 2HA GLY 28 HA1 GLY 28 -14.958 3.559 -9.238
226 H ILE 29 HN ILE 29 -14.436 3.422 -6.299
227 HA ILE 29 HA ILE 29 -16.168 1.110 -5.758
228 HB ILE 29 HB ILE 29 -14.631 0.743 -3.896
229 1HG1 ILE 29 HG12 ILE 29 -13.424 3.443 -4.584
230 2HG1 ILE 29 HG11 ILE 29 -14.487 3.152 -3.207
231 1HG2 ILE 29 HG21 ILE 29 -13.077 1.764 -6.287
232 2HG2 ILE 29 HG22 ILE 29 -13.891 0.201 -6.225
233 3HG2 ILE 29 HG23 ILE 29 -12.554 0.543 -5.127
234 1HD1 ILE 29 HD11 ILE 29 -12.251 1.248 -3.395
235 2HD1 ILE 29 HD12 ILE 29 -12.847 2.152 -2.004
236 3HD1 ILE 29 HD13 ILE 29 -11.745 2.919 -3.146
237 HA PRO 30 HA PRO 30 -18.921 3.103 -3.008
238 1HB PRO 30 HB2 PRO 30 -19.349 1.138 -1.144
239 2HB PRO 30 HB1 PRO 30 -20.034 1.109 -2.780
240 1HG PRO 30 HG2 PRO 30 -17.752 -0.395 -1.661
241 2HG PRO 30 HG1 PRO 30 -18.895 -0.853 -2.925
242 1HD PRO 30 HD2 PRO 30 -16.297 0.017 -3.359
243 2HD PRO 30 HD1 PRO 30 -17.589 0.009 -4.572
244 H SER 31 HN SER 31 -19.071 4.131 -0.933
245 HA SER 31 HA SER 31 -16.648 5.032 0.229
246 1HB SER 31 HB2 SER 31 -19.079 5.938 0.293
247 2HB SER 31 HB1 SER 31 -19.284 4.886 1.690
248 HG SER 31 HG SER 31 -17.601 7.116 1.338
249 H SER 32 HN SER 32 -18.824 2.392 1.278
250 HA SER 32 HA SER 32 -17.544 1.826 3.771
251 1HB SER 32 HB2 SER 32 -19.768 0.984 2.662
252 2HB SER 32 HB1 SER 32 -18.749 -0.277 1.973
253 HG SER 32 HG SER 32 -19.574 0.144 4.580
254 H THR 33 HN THR 33 -16.987 0.452 0.510
255 HA THR 33 HA THR 33 -14.815 -1.280 1.310
256 HB THR 33 HB THR 33 -15.538 0.020 -1.338
257 HG1 THR 33 HG1 THR 33 -16.075 -2.595 -0.376
258 1HG2 THR 33 HG21 THR 33 -13.470 -1.983 -0.556
259 2HG2 THR 33 HG22 THR 33 -13.426 -0.757 -1.823
260 3HG2 THR 33 HG23 THR 33 -14.331 -2.251 -2.073
261 H ALA 34 HN ALA 34 -14.992 2.039 0.037
262 HA ALA 34 HA ALA 34 -12.181 2.507 -0.215
263 1HB ALA 34 HB1 ALA 34 -13.272 4.960 0.322
264 2HB ALA 34 HB2 ALA 34 -14.714 4.045 -0.118
265 3HB ALA 34 HB3 ALA 34 -13.370 4.171 -1.252
266 H ARG 35 HN ARG 35 -14.435 2.972 2.521
267 HA ARG 35 HA ARG 35 -12.587 4.259 4.301
268 1HB ARG 35 HB2 ARG 35 -15.082 2.579 4.647
269 2HB ARG 35 HB1 ARG 35 -14.197 3.190 6.043
270 1HG ARG 35 HG2 ARG 35 -14.562 5.444 5.449
271 2HG ARG 35 HG1 ARG 35 -15.008 5.028 3.795
272 1HD ARG 35 HD2 ARG 35 -16.967 3.696 4.940
273 2HD ARG 35 HD1 ARG 35 -16.644 4.779 6.309
274 HE ARG 35 HE ARG 35 -17.598 5.615 3.633
275 1HH1 ARG 35 HH11 ARG 35 -18.627 6.434 6.432
276 2HH1 ARG 35 HH12 ARG 35 -18.102 8.083 6.490
277 1HH2 ARG 35 HH21 ARG 35 -15.908 7.749 3.812
278 2HH2 ARG 35 HH22 ARG 35 -16.555 8.832 4.998
279 H LEU 36 HN LEU 36 -13.353 0.807 3.774
280 HA LEU 36 HA LEU 36 -11.628 -0.264 5.807
281 1HB LEU 36 HB2 LEU 36 -13.460 -1.199 3.970
282 2HB LEU 36 HB1 LEU 36 -11.946 -1.795 3.295
283 HG LEU 36 HG LEU 36 -12.927 -3.446 4.839
284 1HD1 LEU 36 HD11 LEU 36 -10.513 -2.190 6.162
285 2HD1 LEU 36 HD12 LEU 36 -10.409 -3.083 4.645
286 3HD1 LEU 36 HD13 LEU 36 -10.954 -3.897 6.111
287 1HD2 LEU 36 HD21 LEU 36 -13.285 -2.969 7.164
288 2HD2 LEU 36 HD22 LEU 36 -14.064 -1.667 6.265
289 3HD2 LEU 36 HD23 LEU 36 -12.497 -1.397 7.029
290 H CYS 37 HN CYS 37 -11.096 0.569 2.392
291 HA CYS 37 HA CYS 37 -8.427 -0.418 2.092
292 1HB CYS 37 HB2 CYS 37 -10.320 1.429 0.773
293 2HB CYS 37 HB1 CYS 37 -8.628 1.800 0.473
294 H CYS 38 HN CYS 38 -9.695 2.641 3.387
295 HA CYS 38 HA CYS 38 -7.098 3.946 3.590
296 1HB CYS 38 HB2 CYS 38 -9.166 5.200 3.356
297 2HB CYS 38 HB1 CYS 38 -9.842 4.437 4.791
298 H PHE 39 HN PHE 39 -9.226 2.152 5.800
299 HA PHE 39 HA PHE 39 -7.741 2.615 8.213
300 1HB PHE 39 HB2 PHE 39 -9.960 1.895 8.446
301 2HB PHE 39 HB1 PHE 39 -9.789 0.651 7.212
302 HD1 PHE 39 HD1 PHE 39 -8.367 1.587 10.563
303 HD2 PHE 39 HD2 PHE 39 -9.543 -1.562 7.889
304 HE1 PHE 39 HE1 PHE 39 -7.857 -0.092 12.315
305 HE2 PHE 39 HE2 PHE 39 -9.033 -3.240 9.641
306 HZ PHE 39 HZ PHE 39 -8.188 -2.505 11.853
307 H ARG 40 HN ARG 40 -7.538 0.030 5.760
308 HA ARG 40 HA ARG 40 -5.356 -1.260 7.311
309 1HB ARG 40 HB2 ARG 40 -7.272 -2.011 5.152
310 2HB ARG 40 HB1 ARG 40 -5.741 -2.878 5.211
311 1HG ARG 40 HG2 ARG 40 -7.683 -2.586 7.521
312 2HG ARG 40 HG1 ARG 40 -7.471 -4.036 6.544
313 1HD ARG 40 HD2 ARG 40 -5.219 -2.752 8.135
314 2HD ARG 40 HD1 ARG 40 -6.202 -4.103 8.727
315 HE ARG 40 HE ARG 40 -5.063 -4.534 6.054
316 1HH1 ARG 40 HH21 ARG 40 -5.667 -6.826 7.776
317 2HH1 ARG 40 HH22 ARG 40 -4.120 -7.265 8.420
318 1HH2 ARG 40 HH11 ARG 40 -2.629 -4.231 7.610
319 2HH2 ARG 40 HH12 ARG 40 -2.393 -5.792 8.324
320 H TYR 41 HN TYR 41 -5.883 -0.345 3.868
321 HA TYR 41 HA TYR 41 -3.012 -0.472 3.332
322 1HB TYR 41 HB2 TYR 41 -5.444 0.378 1.754
323 2HB TYR 41 HB1 TYR 41 -3.819 0.351 1.079
324 HD1 TYR 41 HD1 TYR 41 -2.745 -1.704 0.471
325 HD2 TYR 41 HD2 TYR 41 -6.508 -1.749 2.540
326 HE1 TYR 41 HE1 TYR 41 -2.980 -4.127 -0.010
327 HE2 TYR 41 HE2 TYR 41 -6.739 -4.170 2.065
328 HH TYR 41 HH TYR 41 -4.315 -6.112 1.206
329 H GLY 42 HN GLY 42 -5.418 2.094 3.772
330 1HA GLY 42 HA2 GLY 42 -4.841 4.263 4.667
331 2HA GLY 42 HA1 GLY 42 -3.191 4.032 4.100
332 H ASP 43 HN ASP 43 -5.515 3.105 1.753
333 HA ASP 43 HA ASP 43 -4.986 5.629 0.249
334 1HB ASP 43 HB2 ASP 43 -6.158 3.173 -1.008
335 2HB ASP 43 HB1 ASP 43 -5.034 4.338 -1.687
336 H CYS 44 HN CYS 44 -6.758 6.590 -0.931
337 HA CYS 44 HA CYS 44 -8.979 7.350 -1.193
338 1HB CYS 44 HB2 CYS 44 -9.807 4.669 -0.078
339 2HB CYS 44 HB1 CYS 44 -10.646 5.647 -1.270
340 H CYS 45 HN CYS 45 -7.619 7.983 1.231
341 HA CYS 45 HA CYS 45 -9.422 7.505 3.502
342 1HB CYS 45 HB2 CYS 45 -6.855 9.010 2.987
343 2HB CYS 45 HB1 CYS 45 -7.691 9.137 4.531
344 H HIS 46 HN HIS 46 -8.226 10.435 1.837
345 HA HIS 46 HA HIS 46 -10.542 11.968 2.891
346 1HB HIS 46 HB2 HIS 46 -9.185 13.906 1.951
347 2HB HIS 46 HB1 HIS 46 -8.382 12.979 3.214
348 HD1 HIS 46 HD1 HIS 46 -6.188 11.869 2.620
349 HD2 HIS 46 HD2 HIS 46 -8.209 13.259 -0.752
350 HE1 HIS 46 HE1 HIS 46 -4.604 11.581 0.665
351 H LEU 47 HN LEU 47 -11.547 10.238 1.075
352 HA LEU 47 HA LEU 47 -11.521 11.343 -1.649
353 1HB LEU 47 HB2 LEU 47 -11.776 8.879 -0.765
354 2HB LEU 47 HB1 LEU 47 -13.476 9.316 -0.584
355 HG LEU 47 HG LEU 47 -13.158 10.235 -3.054
356 1HD1 LEU 47 HD11 LEU 47 -10.898 9.859 -3.503
357 2HD1 LEU 47 HD12 LEU 47 -11.642 8.418 -4.195
358 3HD1 LEU 47 HD13 LEU 47 -10.871 8.337 -2.611
359 1HD2 LEU 47 HD21 LEU 47 -14.759 8.504 -2.489
360 2HD2 LEU 47 HD22 LEU 47 -13.470 7.318 -2.280
361 3HD2 LEU 47 HD23 LEU 47 -13.833 7.953 -3.885
Start of MODEL 11
1 1H HIS 1 HT1 HIS 1 -31.934 -5.811 -12.626
2 2H HIS 1 HT2 HIS 1 -30.425 -6.512 -12.965
3 3H HIS 1 HT3 HIS 1 -30.514 -5.067 -12.074
4 HA HIS 1 HA HIS 1 -31.579 -7.697 -11.160
5 1HB HIS 1 HB2 HIS 1 -28.969 -6.949 -11.465
6 2HB HIS 1 HB1 HIS 1 -29.293 -6.343 -9.841
7 HD1 HIS 1 HD1 HIS 1 -28.858 -9.482 -11.790
8 HD2 HIS 1 HD2 HIS 1 -30.043 -8.396 -7.943
9 HE1 HIS 1 HE1 HIS 1 -28.836 -11.603 -10.407
10 H SER 2 HN SER 2 -32.153 -7.581 -8.827
11 HA SER 2 HA SER 2 -33.198 -4.877 -8.083
12 1HB SER 2 HB2 SER 2 -34.283 -7.502 -8.185
13 2HB SER 2 HB1 SER 2 -34.186 -7.064 -6.481
14 HG SER 2 HG SER 2 -36.090 -6.239 -7.202
15 H SER 3 HN SER 3 -31.808 -3.860 -6.665
16 HA SER 3 HA SER 3 -30.730 -5.465 -4.377
17 1HB SER 3 HB2 SER 3 -29.085 -4.987 -6.262
18 2HB SER 3 HB1 SER 3 -29.255 -3.277 -5.871
19 HG SER 3 HG SER 3 -28.177 -3.577 -4.054
20 H GLY 4 HN GLY 4 -31.787 -4.613 -2.621
21 1HA GLY 4 HA2 GLY 4 -32.912 -1.985 -2.496
22 2HA GLY 4 HA1 GLY 4 -32.643 -3.039 -1.108
23 H TYR 5 HN TYR 5 -29.897 -3.322 -1.097
24 HA TYR 5 HA TYR 5 -29.039 -0.631 -0.230
25 1HB TYR 5 HB2 TYR 5 -28.690 -3.191 0.700
26 2HB TYR 5 HB1 TYR 5 -27.162 -2.916 -0.138
27 HD1 TYR 5 HD1 TYR 5 -25.931 -0.680 0.357
28 HD2 TYR 5 HD2 TYR 5 -29.026 -2.309 2.852
29 HE1 TYR 5 HE1 TYR 5 -25.145 0.719 2.246
30 HE2 TYR 5 HE2 TYR 5 -28.239 -0.910 4.742
31 HH TYR 5 HH TYR 5 -26.921 1.349 4.935
32 H THR 6 HN THR 6 -27.507 0.599 -1.307
33 HA THR 6 HA THR 6 -26.611 -0.363 -3.975
34 HB THR 6 HB THR 6 -26.343 2.397 -2.753
35 HG1 THR 6 HG1 THR 6 -28.555 1.210 -4.076
36 1HG2 THR 6 HG21 THR 6 -26.665 2.976 -5.237
37 2HG2 THR 6 HG22 THR 6 -26.379 1.264 -5.549
38 3HG2 THR 6 HG23 THR 6 -25.128 2.241 -4.780
39 H ARG 7 HN ARG 7 -24.332 0.073 -4.592
40 HA ARG 7 HA ARG 7 -22.438 0.209 -2.286
41 1HB ARG 7 HB2 ARG 7 -23.149 -2.114 -3.458
42 2HB ARG 7 HB1 ARG 7 -21.853 -1.634 -4.553
43 1HG ARG 7 HG2 ARG 7 -20.733 -2.875 -2.887
44 2HG ARG 7 HG1 ARG 7 -20.475 -1.200 -2.398
45 1HD ARG 7 HD2 ARG 7 -22.938 -1.936 -1.231
46 2HD ARG 7 HD1 ARG 7 -21.846 -3.308 -0.955
47 HE ARG 7 HE ARG 7 -20.190 -1.625 -0.053
48 1HH1 ARG 7 HH11 ARG 7 -22.553 -1.855 1.807
49 2HH1 ARG 7 HH12 ARG 7 -22.942 -0.193 2.096
50 1HH2 ARG 7 HH21 ARG 7 -21.102 0.974 -0.615
51 2HH2 ARG 7 HH22 ARG 7 -22.117 1.418 0.715
52 HA PRO 8 HA PRO 8 -21.204 3.007 -5.779
53 1HB PRO 8 HB2 PRO 8 -20.824 5.234 -4.232
54 2HB PRO 8 HB1 PRO 8 -22.396 4.800 -4.933
55 1HG PRO 8 HG2 PRO 8 -21.397 4.439 -2.158
56 2HG PRO 8 HG1 PRO 8 -23.019 4.856 -2.731
57 1HD PRO 8 HD2 PRO 8 -22.280 2.353 -1.888
58 2HD PRO 8 HD1 PRO 8 -23.615 2.670 -3.015
59 H LEU 9 HN LEU 9 -19.040 3.236 -6.319
60 HA LEU 9 HA LEU 9 -16.701 3.058 -6.136
61 1HB LEU 9 HB2 LEU 9 -17.350 5.124 -4.745
62 2HB LEU 9 HB1 LEU 9 -17.156 4.095 -3.326
63 HG LEU 9 HG LEU 9 -14.825 3.566 -4.105
64 1HD1 LEU 9 HD11 LEU 9 -15.568 5.640 -6.181
65 2HD1 LEU 9 HD12 LEU 9 -14.960 4.007 -6.454
66 3HD1 LEU 9 HD13 LEU 9 -13.894 5.246 -5.790
67 1HD2 LEU 9 HD21 LEU 9 -15.143 5.273 -2.406
68 2HD2 LEU 9 HD22 LEU 9 -15.553 6.473 -3.632
69 3HD2 LEU 9 HD23 LEU 9 -13.910 5.838 -3.534
70 H ARG 10 HN ARG 10 -17.499 0.636 -5.999
71 HA ARG 10 HA ARG 10 -17.357 -0.818 -3.534
72 1HB ARG 10 HB2 ARG 10 -18.188 -1.380 -5.986
73 2HB ARG 10 HB1 ARG 10 -16.540 -1.977 -6.183
74 1HG ARG 10 HG2 ARG 10 -16.940 -3.273 -3.988
75 2HG ARG 10 HG1 ARG 10 -18.650 -2.918 -4.241
76 1HD ARG 10 HD2 ARG 10 -18.809 -4.567 -5.788
77 2HD ARG 10 HD1 ARG 10 -17.448 -3.889 -6.703
78 HE ARG 10 HE ARG 10 -15.920 -5.183 -5.303
79 1HH1 ARG 10 HH11 ARG 10 -17.681 -5.299 -2.844
80 2HH1 ARG 10 HH12 ARG 10 -18.160 -6.964 -2.835
81 1HH2 ARG 10 HH21 ARG 10 -17.222 -7.520 -6.137
82 2HH2 ARG 10 HH22 ARG 10 -17.897 -8.226 -4.708
83 H LYS 11 HN LYS 11 -15.568 -1.027 -2.267
84 HA LYS 11 HA LYS 11 -13.330 -1.272 -1.590
85 1HB LYS 11 HB2 LYS 11 -13.809 -3.201 -3.285
86 2HB LYS 11 HB1 LYS 11 -12.794 -2.269 -4.384
87 1HG LYS 11 HG2 LYS 11 -11.264 -3.718 -3.319
88 2HG LYS 11 HG1 LYS 11 -11.090 -2.205 -2.428
89 1HD LYS 11 HD2 LYS 11 -12.996 -3.225 -0.912
90 2HD LYS 11 HD1 LYS 11 -12.432 -4.754 -1.585
91 1HE LYS 11 HE2 LYS 11 -10.317 -2.895 -0.599
92 2HE LYS 11 HE1 LYS 11 -11.325 -3.683 0.631
93 1HZ LYS 11 HZ1 LYS 11 -10.919 -5.813 -0.464
94 2HZ LYS 11 HZ2 LYS 11 -9.459 -5.098 0.030
95 3HZ LYS 11 HZ3 LYS 11 -9.918 -5.053 -1.605
96 HA PRO 12 HA PRO 12 -12.130 2.584 -3.828
97 1HB PRO 12 HB2 PRO 12 -11.837 4.125 -1.585
98 2HB PRO 12 HB1 PRO 12 -13.389 3.912 -2.416
99 1HG PRO 12 HG2 PRO 12 -12.392 2.660 0.078
100 2HG PRO 12 HG1 PRO 12 -14.033 3.149 -0.367
101 1HD PRO 12 HD2 PRO 12 -13.086 0.557 -0.419
102 2HD PRO 12 HD1 PRO 12 -14.494 1.146 -1.329
103 H SER 13 HN SER 13 -10.156 4.149 -2.566
104 HA SER 13 HA SER 13 -7.889 2.233 -2.476
105 1HB SER 13 HB2 SER 13 -8.273 4.481 -3.888
106 2HB SER 13 HB1 SER 13 -7.551 5.198 -2.451
107 HG SER 13 HG SER 13 -5.851 4.651 -3.704
108 H ARG 14 HN ARG 14 -9.614 2.483 -0.126
109 HA ARG 14 HA ARG 14 -9.381 2.584 2.209
110 1HB ARG 14 HB2 ARG 14 -7.236 1.483 1.672
111 2HB ARG 14 HB1 ARG 14 -6.480 3.059 1.447
112 1HG ARG 14 HG2 ARG 14 -7.325 3.550 3.866
113 2HG ARG 14 HG1 ARG 14 -7.475 1.798 3.994
114 1HD ARG 14 HD2 ARG 14 -4.906 2.904 2.910
115 2HD ARG 14 HD1 ARG 14 -5.197 3.004 4.658
116 HE ARG 14 HE ARG 14 -5.749 0.492 4.485
117 1HH1 ARG 14 HH21 ARG 14 -5.091 0.823 1.419
118 2HH1 ARG 14 HH22 ARG 14 -3.566 0.003 1.368
119 1HH2 ARG 14 HH11 ARG 14 -3.159 -0.003 4.821
120 2HH2 ARG 14 HH12 ARG 14 -2.467 -0.467 3.302
121 HA PRO 15 HA PRO 15 -9.677 6.930 3.033
122 1HB PRO 15 HB2 PRO 15 -10.023 6.783 5.741
123 2HB PRO 15 HB1 PRO 15 -11.305 6.372 4.584
124 1HG PRO 15 HG2 PRO 15 -9.512 4.583 6.139
125 2HG PRO 15 HG1 PRO 15 -11.218 4.381 5.712
126 1HD PRO 15 HD2 PRO 15 -9.156 3.114 4.430
127 2HD PRO 15 HD1 PRO 15 -10.732 3.457 3.685
128 H ILE 16 HN ILE 16 -8.622 8.514 4.686
129 HA ILE 16 HA ILE 16 -5.820 8.546 4.421
130 HB ILE 16 HB ILE 16 -5.911 10.267 6.217
131 1HG1 ILE 16 HG12 ILE 16 -8.725 9.187 6.567
132 2HG1 ILE 16 HG11 ILE 16 -7.442 9.218 7.773
133 1HG2 ILE 16 HG21 ILE 16 -8.402 10.608 4.564
134 2HG2 ILE 16 HG22 ILE 16 -6.823 10.553 3.780
135 3HG2 ILE 16 HG23 ILE 16 -7.170 11.801 4.977
136 1HD1 ILE 16 HD11 ILE 16 -8.987 11.551 6.636
137 2HD1 ILE 16 HD12 ILE 16 -7.453 11.774 7.477
138 3HD1 ILE 16 HD13 ILE 16 -8.828 11.066 8.324
139 H PHE 17 HN PHE 17 -4.144 7.614 5.537
140 HA PHE 17 HA PHE 17 -4.544 6.465 8.226
141 1HB PHE 17 HB2 PHE 17 -5.373 4.834 6.451
142 2HB PHE 17 HB1 PHE 17 -3.709 4.737 5.878
143 HD1 PHE 17 HD1 PHE 17 -5.750 4.399 9.005
144 HD2 PHE 17 HD2 PHE 17 -2.234 3.196 6.848
145 HE1 PHE 17 HE1 PHE 17 -5.237 2.734 10.769
146 HE2 PHE 17 HE2 PHE 17 -1.722 1.531 8.613
147 HZ PHE 17 HZ PHE 17 -3.224 1.299 10.574
148 H ILE 18 HN ILE 18 -2.440 5.594 9.081
149 HA ILE 18 HA ILE 18 -0.218 7.355 8.522
150 HB ILE 18 HB ILE 18 0.930 5.914 10.176
151 1HG1 ILE 18 HG12 ILE 18 -1.526 4.181 10.326
152 2HG1 ILE 18 HG11 ILE 18 -0.264 3.803 9.154
153 1HG2 ILE 18 HG21 ILE 18 -1.014 7.593 10.732
154 2HG2 ILE 18 HG22 ILE 18 -0.400 6.521 11.991
155 3HG2 ILE 18 HG23 ILE 18 -1.902 6.128 11.153
156 1HD1 ILE 18 HD11 ILE 18 1.389 3.572 10.881
157 2HD1 ILE 18 HD12 ILE 18 -0.020 2.649 11.404
158 3HD1 ILE 18 HD13 ILE 18 0.299 4.239 12.097
159 H ARG 19 HN ARG 19 2.046 5.917 8.390
160 HA ARG 19 HA ARG 19 2.529 5.301 5.730
161 1HB ARG 19 HB2 ARG 19 4.319 5.559 7.270
162 2HB ARG 19 HB1 ARG 19 3.705 4.287 8.322
163 1HG ARG 19 HG2 ARG 19 5.528 3.302 7.161
164 2HG ARG 19 HG1 ARG 19 4.090 2.688 6.352
165 1HD ARG 19 HD2 ARG 19 4.820 3.565 4.396
166 2HD ARG 19 HD1 ARG 19 4.826 5.183 5.121
167 HE ARG 19 HE ARG 19 7.173 3.625 4.637
168 1HH1 ARG 19 HH21 ARG 19 6.327 6.512 5.918
169 2HH1 ARG 19 HH22 ARG 19 7.499 6.543 7.192
170 1HH2 ARG 19 HH11 ARG 19 8.414 3.213 6.786
171 2HH2 ARG 19 HH12 ARG 19 8.685 4.669 7.685
172 HA PRO 20 HA PRO 20 0.091 1.600 5.229
173 1HB PRO 20 HB2 PRO 20 0.740 1.213 2.593
174 2HB PRO 20 HB1 PRO 20 -0.469 2.394 3.140
175 1HG PRO 20 HG2 PRO 20 2.351 2.821 2.306
176 2HG PRO 20 HG1 PRO 20 0.926 3.830 2.028
177 1HD PRO 20 HD2 PRO 20 2.806 4.360 3.938
178 2HD PRO 20 HD1 PRO 20 1.117 4.880 4.048
179 H ILE 21 HN ILE 21 0.575 -0.660 4.404
180 HA ILE 21 HA ILE 21 3.098 -1.594 5.505
181 HB ILE 21 HB ILE 21 0.533 -2.691 4.449
182 1HG1 ILE 21 HG12 ILE 21 0.971 -2.124 6.846
183 2HG1 ILE 21 HG11 ILE 21 0.530 -3.808 6.594
184 1HG2 ILE 21 HG21 ILE 21 1.382 -5.011 4.535
185 2HG2 ILE 21 HG22 ILE 21 3.019 -4.402 4.772
186 3HG2 ILE 21 HG23 ILE 21 2.173 -4.089 3.257
187 1HD1 ILE 21 HD11 ILE 21 3.434 -3.193 6.476
188 2HD1 ILE 21 HD12 ILE 21 2.608 -4.584 7.177
189 3HD1 ILE 21 HD13 ILE 21 2.676 -3.060 8.062
190 H GLY 22 HN GLY 22 4.446 -3.177 4.267
191 1HA GLY 22 HA2 GLY 22 5.271 -4.012 2.113
192 2HA GLY 22 HA1 GLY 22 4.638 -2.550 1.359
193 H CYS 23 HN CYS 23 5.586 -0.478 2.480
194 HA CYS 23 HA CYS 23 8.457 -0.488 2.055
195 1HB CYS 23 HB2 CYS 23 6.287 1.404 2.815
196 2HB CYS 23 HB1 CYS 23 7.929 1.902 3.202
197 H ASP 24 HN ASP 24 6.402 -0.720 4.910
198 HA ASP 24 HA ASP 24 8.636 -0.275 6.774
199 1HB ASP 24 HB2 ASP 24 5.844 -0.105 6.806
200 2HB ASP 24 HB1 ASP 24 6.203 -1.486 7.842
201 H VAL 25 HN VAL 25 8.271 -2.725 4.754
202 HA VAL 25 HA VAL 25 9.205 -4.765 6.695
203 HB VAL 25 HB VAL 25 7.170 -5.230 4.480
204 1HG1 VAL 25 HG11 VAL 25 8.013 -7.335 4.817
205 2HG1 VAL 25 HG12 VAL 25 6.906 -7.309 6.190
206 3HG1 VAL 25 HG13 VAL 25 8.616 -6.950 6.430
207 1HG2 VAL 25 HG21 VAL 25 5.993 -3.958 6.105
208 2HG2 VAL 25 HG22 VAL 25 6.837 -4.734 7.445
209 3HG2 VAL 25 HG23 VAL 25 5.632 -5.633 6.522
210 H CYS 26 HN CYS 26 11.120 -3.608 5.487
211 HA CYS 26 HA CYS 26 11.834 -3.888 2.820
212 1HB CYS 26 HB2 CYS 26 13.436 -4.204 5.370
213 2HB CYS 26 HB1 CYS 26 14.190 -4.080 3.786
214 H TYR 27 HN TYR 27 11.562 -6.470 5.190
215 HA TYR 27 HA TYR 27 12.892 -8.385 3.332
216 1HB TYR 27 HB2 TYR 27 11.901 -8.857 6.153
217 2HB TYR 27 HB1 TYR 27 13.106 -9.786 5.269
218 HD1 TYR 27 HD1 TYR 27 12.580 -7.119 7.576
219 HD2 TYR 27 HD2 TYR 27 15.248 -8.494 4.501
220 HE1 TYR 27 HE1 TYR 27 14.363 -5.642 8.462
221 HE2 TYR 27 HE2 TYR 27 17.031 -7.016 5.389
222 HH TYR 27 HH TYR 27 17.243 -5.876 8.191
223 H GLY 28 HN GLY 28 11.622 -9.704 2.109
224 1HA GLY 28 HA2 GLY 28 9.778 -11.346 2.026
225 2HA GLY 28 HA1 GLY 28 8.829 -10.248 3.023
226 H ILE 29 HN ILE 29 9.832 -7.898 1.367
227 HA ILE 29 HA ILE 29 7.755 -8.107 -0.710
228 HB ILE 29 HB ILE 29 8.114 -5.704 -0.931
229 1HG1 ILE 29 HG12 ILE 29 10.465 -6.055 0.962
230 2HG1 ILE 29 HG11 ILE 29 10.616 -5.796 -0.777
231 1HG2 ILE 29 HG21 ILE 29 7.589 -5.014 1.334
232 2HG2 ILE 29 HG22 ILE 29 8.310 -6.484 1.990
233 3HG2 ILE 29 HG23 ILE 29 6.833 -6.578 1.031
234 1HD1 ILE 29 HD11 ILE 29 9.139 -3.699 -0.378
235 2HD1 ILE 29 HD12 ILE 29 10.830 -3.625 0.118
236 3HD1 ILE 29 HD13 ILE 29 9.568 -3.899 1.321
237 HA PRO 30 HA PRO 30 10.451 -8.756 -4.089
238 1HB PRO 30 HB2 PRO 30 9.230 -7.285 -6.053
239 2HB PRO 30 HB1 PRO 30 8.603 -8.831 -5.449
240 1HG PRO 30 HG2 PRO 30 7.700 -6.076 -4.886
241 2HG PRO 30 HG1 PRO 30 6.772 -7.575 -4.956
242 1HD PRO 30 HD2 PRO 30 7.565 -6.291 -2.629
243 2HD PRO 30 HD1 PRO 30 7.069 -7.991 -2.743
244 H SER 31 HN SER 31 12.111 -7.775 -5.382
245 HA SER 31 HA SER 31 13.460 -5.545 -4.254
246 1HB SER 31 HB2 SER 31 14.213 -7.484 -5.831
247 2HB SER 31 HB1 SER 31 13.736 -6.397 -7.132
248 HG SER 31 HG SER 31 15.907 -6.070 -6.615
249 H SER 32 HN SER 32 11.259 -5.710 -7.070
250 HA SER 32 HA SER 32 11.614 -3.048 -8.017
251 1HB SER 32 HB2 SER 32 10.369 -5.012 -9.069
252 2HB SER 32 HB1 SER 32 9.041 -4.656 -7.971
253 HG SER 32 HG SER 32 10.197 -2.768 -9.756
254 H THR 33 HN THR 33 9.288 -4.345 -5.627
255 HA THR 33 HA THR 33 8.090 -1.779 -5.013
256 HB THR 33 HB THR 33 8.319 -4.349 -3.405
257 HG1 THR 33 HG1 THR 33 6.253 -4.732 -4.348
258 1HG2 THR 33 HG21 THR 33 7.457 -1.946 -2.461
259 2HG2 THR 33 HG22 THR 33 6.819 -3.494 -1.908
260 3HG2 THR 33 HG23 THR 33 5.958 -2.576 -3.143
261 H ALA 34 HN ALA 34 10.723 -3.709 -3.587
262 HA ALA 34 HA ALA 34 11.298 -2.027 -1.353
263 1HB ALA 34 HB1 ALA 34 13.105 -3.790 -3.042
264 2HB ALA 34 HB2 ALA 34 12.117 -4.339 -1.687
265 3HB ALA 34 HB3 ALA 34 13.462 -3.234 -1.407
266 H ARG 35 HN ARG 35 12.446 -1.933 -4.738
267 HA ARG 35 HA ARG 35 14.401 0.154 -4.366
268 1HB ARG 35 HB2 ARG 35 14.166 -1.424 -6.326
269 2HB ARG 35 HB1 ARG 35 12.740 -0.514 -6.822
270 1HG ARG 35 HG2 ARG 35 14.116 1.540 -6.979
271 2HG ARG 35 HG1 ARG 35 15.542 0.611 -6.514
272 1HD ARG 35 HD2 ARG 35 15.846 0.004 -8.673
273 2HD ARG 35 HD1 ARG 35 14.241 -0.754 -8.688
274 HE ARG 35 HE ARG 35 13.287 1.404 -9.367
275 1HH1 ARG 35 HH21 ARG 35 15.374 3.228 -8.239
276 2HH1 ARG 35 HH22 ARG 35 16.228 3.735 -9.657
277 1HH2 ARG 35 HH11 ARG 35 14.970 1.176 -11.647
278 2HH2 ARG 35 HH12 ARG 35 15.998 2.569 -11.595
279 H LEU 36 HN LEU 36 10.959 0.202 -5.317
280 HA LEU 36 HA LEU 36 10.759 3.069 -5.631
281 1HB LEU 36 HB2 LEU 36 9.198 0.812 -6.076
282 2HB LEU 36 HB1 LEU 36 8.350 1.617 -4.758
283 HG LEU 36 HG LEU 36 7.502 2.410 -6.918
284 1HD1 LEU 36 HD11 LEU 36 9.230 4.533 -5.615
285 2HD1 LEU 36 HD12 LEU 36 7.674 3.992 -4.986
286 3HD1 LEU 36 HD13 LEU 36 7.759 4.800 -6.551
287 1HD2 LEU 36 HD21 LEU 36 9.715 1.959 -8.113
288 2HD2 LEU 36 HD22 LEU 36 10.278 3.495 -7.455
289 3HD2 LEU 36 HD23 LEU 36 8.900 3.459 -8.555
290 H CYS 37 HN CYS 37 10.293 0.836 -2.917
291 HA CYS 37 HA CYS 37 9.143 2.614 -1.010
292 1HB CYS 37 HB2 CYS 37 10.609 0.039 -1.095
293 2HB CYS 37 HB1 CYS 37 10.671 0.882 0.444
294 H CYS 38 HN CYS 38 12.505 2.152 -2.047
295 HA CYS 38 HA CYS 38 13.599 3.801 0.130
296 1HB CYS 38 HB2 CYS 38 14.863 1.925 -0.746
297 2HB CYS 38 HB1 CYS 38 14.719 2.535 -2.391
298 H PHE 39 HN PHE 39 12.885 4.131 -3.331
299 HA PHE 39 HA PHE 39 14.078 6.726 -3.700
300 1HB PHE 39 HB2 PHE 39 13.705 5.446 -5.632
301 2HB PHE 39 HB1 PHE 39 12.087 4.974 -5.122
302 HD1 PHE 39 HD1 PHE 39 10.195 6.184 -5.844
303 HD2 PHE 39 HD2 PHE 39 14.103 7.928 -6.219
304 HE1 PHE 39 HE1 PHE 39 9.231 8.064 -7.140
305 HE2 PHE 39 HE2 PHE 39 13.139 9.807 -7.517
306 HZ PHE 39 HZ PHE 39 10.702 9.876 -7.977
307 H ARG 40 HN ARG 40 10.767 5.698 -2.856
308 HA ARG 40 HA ARG 40 9.905 8.539 -2.739
309 1HB ARG 40 HB2 ARG 40 8.696 5.884 -3.119
310 2HB ARG 40 HB1 ARG 40 7.740 6.964 -2.107
311 1HG ARG 40 HG2 ARG 40 8.795 8.392 -4.399
312 2HG ARG 40 HG1 ARG 40 7.882 6.975 -4.917
313 1HD ARG 40 HD2 ARG 40 6.054 8.328 -4.651
314 2HD ARG 40 HD1 ARG 40 6.265 8.000 -2.921
315 HE ARG 40 HE ARG 40 7.612 10.319 -4.266
316 1HH1 ARG 40 HH11 ARG 40 8.449 9.857 -1.497
317 2HH1 ARG 40 HH12 ARG 40 7.339 10.810 -0.573
318 1HH2 ARG 40 HH21 ARG 40 5.047 11.129 -3.171
319 2HH2 ARG 40 HH22 ARG 40 5.404 11.538 -1.526
320 H TYR 41 HN TYR 41 9.576 5.660 -0.594
321 HA TYR 41 HA TYR 41 8.936 7.350 1.700
322 1HB TYR 41 HB2 TYR 41 9.426 4.420 1.216
323 2HB TYR 41 HB1 TYR 41 9.141 5.048 2.836
324 HD1 TYR 41 HD1 TYR 41 6.969 6.004 3.458
325 HD2 TYR 41 HD2 TYR 41 7.668 4.406 -0.467
326 HE1 TYR 41 HE1 TYR 41 4.524 5.981 3.032
327 HE2 TYR 41 HE2 TYR 41 5.226 4.388 -0.894
328 HH TYR 41 HH TYR 41 3.071 4.249 0.799
329 H GLY 42 HN GLY 42 11.771 5.512 0.613
330 1HA GLY 42 HA2 GLY 42 14.027 6.210 1.149
331 2HA GLY 42 HA1 GLY 42 13.409 7.016 2.586
332 H ASP 43 HN ASP 43 12.034 3.905 2.143
333 HA ASP 43 HA ASP 43 13.783 2.828 4.309
334 1HB ASP 43 HB2 ASP 43 11.156 1.674 3.371
335 2HB ASP 43 HB1 ASP 43 11.907 1.519 4.946
336 H CYS 44 HN CYS 44 14.474 0.578 4.124
337 HA CYS 44 HA CYS 44 15.403 -1.264 2.967
338 1HB CYS 44 HB2 CYS 44 13.446 -0.557 0.767
339 2HB CYS 44 HB1 CYS 44 14.084 -2.144 1.167
340 H CYS 45 HN CYS 45 16.634 1.318 2.693
341 HA CYS 45 HA CYS 45 17.360 1.652 -0.150
342 1HB CYS 45 HB2 CYS 45 17.934 3.060 2.460
343 2HB CYS 45 HB1 CYS 45 18.777 3.505 0.979
344 H HIS 46 HN HIS 46 19.211 1.254 2.893
345 HA HIS 46 HA HIS 46 21.548 0.265 1.394
346 1HB HIS 46 HB2 HIS 46 22.538 0.224 3.730
347 2HB HIS 46 HB1 HIS 46 21.931 1.795 3.220
348 HD1 HIS 46 HD1 HIS 46 20.311 2.896 4.773
349 HD2 HIS 46 HD2 HIS 46 20.530 -1.212 5.449
350 HE1 HIS 46 HE1 HIS 46 18.864 2.424 6.796
351 H LEU 47 HN LEU 47 19.546 -1.536 0.929
352 HA LEU 47 HA LEU 47 20.035 -3.812 2.809
353 1HB LEU 47 HB2 LEU 47 17.703 -2.830 2.324
354 2HB LEU 47 HB1 LEU 47 17.866 -3.542 0.719
355 HG LEU 47 HG LEU 47 18.549 -5.394 2.900
356 1HD1 LEU 47 HD11 LEU 47 16.719 -4.114 3.984
357 2HD1 LEU 47 HD12 LEU 47 16.229 -5.765 3.608
358 3HD1 LEU 47 HD13 LEU 47 15.689 -4.432 2.588
359 1HD2 LEU 47 HD21 LEU 47 17.258 -6.922 1.534
360 2HD2 LEU 47 HD22 LEU 47 18.248 -5.939 0.454
361 3HD2 LEU 47 HD23 LEU 47 16.530 -5.585 0.644
Start of MODEL 12
1 1H HIS 1 HT1 HIS 1 24.811 5.872 7.025
2 2H HIS 1 HT2 HIS 1 25.778 5.196 8.249
3 3H HIS 1 HT3 HIS 1 24.977 4.188 7.140
4 HA HIS 1 HA HIS 1 26.340 5.066 5.323
5 1HB HIS 1 HB2 HIS 1 26.912 6.939 7.520
6 2HB HIS 1 HB1 HIS 1 28.358 6.423 6.652
7 HD1 HIS 1 HD1 HIS 1 25.530 8.717 6.414
8 HD2 HIS 1 HD2 HIS 1 28.088 6.838 3.710
9 HE1 HIS 1 HE1 HIS 1 25.296 9.963 4.222
10 H SER 2 HN SER 2 27.925 3.579 4.787
11 HA SER 2 HA SER 2 29.795 2.521 6.796
12 1HB SER 2 HB2 SER 2 27.297 1.372 6.625
13 2HB SER 2 HB1 SER 2 28.232 0.366 5.521
14 HG SER 2 HG SER 2 28.476 0.743 8.276
15 H SER 3 HN SER 3 31.313 0.931 5.771
16 HA SER 3 HA SER 3 32.800 0.335 4.047
17 1HB SER 3 HB2 SER 3 30.525 -0.697 3.392
18 2HB SER 3 HB1 SER 3 30.394 0.626 2.236
19 HG SER 3 HG SER 3 32.065 -0.165 1.120
20 H GLY 4 HN GLY 4 33.769 2.555 4.350
21 1HA GLY 4 HA2 GLY 4 33.044 4.600 2.366
22 2HA GLY 4 HA1 GLY 4 34.313 4.742 3.581
23 H TYR 5 HN TYR 5 33.713 2.388 0.947
24 HA TYR 5 HA TYR 5 35.974 3.241 -0.651
25 1HB TYR 5 HB2 TYR 5 37.518 1.472 -0.080
26 2HB TYR 5 HB1 TYR 5 37.019 2.219 1.435
27 HD1 TYR 5 HD1 TYR 5 37.126 -0.826 -0.499
28 HD2 TYR 5 HD2 TYR 5 35.144 1.115 2.781
29 HE1 TYR 5 HE1 TYR 5 36.308 -3.023 0.307
30 HE2 TYR 5 HE2 TYR 5 34.326 -1.082 3.586
31 HH TYR 5 HH TYR 5 34.274 -3.810 1.754
32 H THR 6 HN THR 6 36.134 1.975 -2.597
33 HA THR 6 HA THR 6 35.344 0.612 -4.338
34 HB THR 6 HB THR 6 35.307 -0.847 -1.899
35 HG1 THR 6 HG1 THR 6 36.318 -2.090 -3.223
36 1HG2 THR 6 HG21 THR 6 33.517 -2.436 -2.181
37 2HG2 THR 6 HG22 THR 6 33.029 -1.700 -3.707
38 3HG2 THR 6 HG23 THR 6 32.791 -0.829 -2.192
39 H ARG 7 HN ARG 7 33.286 -0.062 -5.434
40 HA ARG 7 HA ARG 7 31.179 1.922 -4.958
41 1HB ARG 7 HB2 ARG 7 32.198 0.297 -7.094
42 2HB ARG 7 HB1 ARG 7 30.468 0.003 -6.946
43 1HG ARG 7 HG2 ARG 7 31.271 2.843 -6.741
44 2HG ARG 7 HG1 ARG 7 31.543 2.105 -8.319
45 1HD ARG 7 HD2 ARG 7 29.054 1.167 -7.853
46 2HD ARG 7 HD1 ARG 7 28.971 2.677 -6.925
47 HE ARG 7 HE ARG 7 29.707 2.530 -9.824
48 1HH1 ARG 7 HH21 ARG 7 30.715 4.972 -8.461
49 2HH1 ARG 7 HH22 ARG 7 29.408 6.089 -8.669
50 1HH2 ARG 7 HH11 ARG 7 27.090 3.628 -9.480
51 2HH2 ARG 7 HH12 ARG 7 27.347 5.325 -9.248
52 HA PRO 8 HA PRO 8 28.737 -0.846 -2.506
53 1HB PRO 8 HB2 PRO 8 26.418 0.605 -2.515
54 2HB PRO 8 HB1 PRO 8 27.832 1.047 -1.537
55 1HG PRO 8 HG2 PRO 8 26.874 2.190 -4.104
56 2HG PRO 8 HG1 PRO 8 27.642 2.991 -2.725
57 1HD PRO 8 HD2 PRO 8 28.934 2.336 -5.062
58 2HD PRO 8 HD1 PRO 8 29.744 2.575 -3.500
59 H LEU 9 HN LEU 9 27.036 -2.376 -2.826
60 HA LEU 9 HA LEU 9 26.474 -3.080 -5.601
61 1HB LEU 9 HB2 LEU 9 25.898 -4.150 -2.855
62 2HB LEU 9 HB1 LEU 9 25.009 -4.808 -4.227
63 HG LEU 9 HG LEU 9 27.518 -4.852 -5.247
64 1HD1 LEU 9 HD11 LEU 9 28.600 -4.027 -3.237
65 2HD1 LEU 9 HD12 LEU 9 29.001 -5.735 -3.419
66 3HD1 LEU 9 HD13 LEU 9 27.779 -5.237 -2.250
67 1HD2 LEU 9 HD21 LEU 9 26.056 -6.771 -5.255
68 2HD2 LEU 9 HD22 LEU 9 26.140 -6.910 -3.498
69 3HD2 LEU 9 HD23 LEU 9 27.560 -7.268 -4.480
70 H ARG 10 HN ARG 10 24.072 -3.721 -6.099
71 HA ARG 10 HA ARG 10 22.464 -1.328 -6.098
72 1HB ARG 10 HB2 ARG 10 22.574 -3.308 -7.752
73 2HB ARG 10 HB1 ARG 10 21.515 -4.153 -6.623
74 1HG ARG 10 HG2 ARG 10 19.738 -2.670 -6.970
75 2HG ARG 10 HG1 ARG 10 20.795 -1.385 -7.555
76 1HD ARG 10 HD2 ARG 10 20.495 -3.981 -9.086
77 2HD ARG 10 HD1 ARG 10 19.388 -2.617 -9.339
78 HE ARG 10 HE ARG 10 22.329 -2.552 -9.844
79 1HH1 ARG 10 HH21 ARG 10 20.470 -2.139 -12.105
80 2HH1 ARG 10 HH22 ARG 10 20.369 -0.413 -12.216
81 1HH2 ARG 10 HH11 ARG 10 21.659 0.125 -9.032
82 2HH2 ARG 10 HH12 ARG 10 21.045 0.875 -10.468
83 H LYS 11 HN LYS 11 22.079 -0.735 -3.902
84 HA LYS 11 HA LYS 11 19.874 -2.203 -2.600
85 1HB LYS 11 HB2 LYS 11 22.615 -2.592 -1.917
86 2HB LYS 11 HB1 LYS 11 21.882 -1.674 -0.602
87 1HG LYS 11 HG2 LYS 11 20.376 -4.016 -1.705
88 2HG LYS 11 HG1 LYS 11 21.752 -4.327 -0.646
89 1HD LYS 11 HD2 LYS 11 20.750 -2.793 1.050
90 2HD LYS 11 HD1 LYS 11 19.342 -2.602 0.005
91 1HE LYS 11 HE2 LYS 11 18.578 -4.351 1.329
92 2HE LYS 11 HE1 LYS 11 19.425 -5.299 0.091
93 1HZ LYS 11 HZ1 LYS 11 20.209 -5.955 2.261
94 2HZ LYS 11 HZ2 LYS 11 20.562 -4.345 2.670
95 3HZ LYS 11 HZ3 LYS 11 21.453 -5.131 1.455
96 HA PRO 12 HA PRO 12 19.674 2.362 -2.110
97 1HB PRO 12 HB2 PRO 12 17.024 2.592 -2.754
98 2HB PRO 12 HB1 PRO 12 18.314 2.560 -3.971
99 1HG PRO 12 HG2 PRO 12 16.428 0.426 -3.156
100 2HG PRO 12 HG1 PRO 12 17.134 0.770 -4.741
101 1HD PRO 12 HD2 PRO 12 17.972 -1.228 -3.019
102 2HD PRO 12 HD1 PRO 12 18.935 -0.552 -4.348
103 H SER 13 HN SER 13 17.340 3.416 -0.997
104 HA SER 13 HA SER 13 17.465 2.436 1.746
105 1HB SER 13 HB2 SER 13 15.781 4.524 0.328
106 2HB SER 13 HB1 SER 13 15.817 4.306 2.074
107 HG SER 13 HG SER 13 18.120 4.663 1.921
108 H ARG 14 HN ARG 14 15.400 1.939 2.965
109 HA ARG 14 HA ARG 14 14.000 -0.283 1.889
110 1HB ARG 14 HB2 ARG 14 12.536 0.050 3.870
111 2HB ARG 14 HB1 ARG 14 14.239 0.227 4.286
112 1HG ARG 14 HG2 ARG 14 13.906 2.343 4.981
113 2HG ARG 14 HG1 ARG 14 13.161 2.777 3.444
114 1HD ARG 14 HD2 ARG 14 11.081 2.710 4.350
115 2HD ARG 14 HD1 ARG 14 11.385 1.118 5.075
116 HE ARG 14 HE ARG 14 12.260 3.705 6.310
117 1HH1 ARG 14 HH11 ARG 14 13.344 0.764 6.877
118 2HH1 ARG 14 HH12 ARG 14 12.576 0.486 8.404
119 1HH2 ARG 14 HH21 ARG 14 10.411 3.189 8.100
120 2HH2 ARG 14 HH22 ARG 14 10.908 1.865 9.099
121 HA PRO 15 HA PRO 15 10.966 1.573 -0.709
122 1HB PRO 15 HB2 PRO 15 9.008 -0.337 -0.585
123 2HB PRO 15 HB1 PRO 15 10.511 -0.543 -1.506
124 1HG PRO 15 HG2 PRO 15 9.781 -1.595 1.182
125 2HG PRO 15 HG1 PRO 15 10.672 -2.379 -0.132
126 1HD PRO 15 HD2 PRO 15 11.883 -1.309 2.054
127 2HD PRO 15 HD1 PRO 15 12.662 -1.404 0.458
128 H ILE 16 HN ILE 16 8.944 2.677 -0.597
129 HA ILE 16 HA ILE 16 8.063 3.331 2.152
130 HB ILE 16 HB ILE 16 6.877 5.171 0.986
131 1HG1 ILE 16 HG12 ILE 16 8.105 4.551 -1.634
132 2HG1 ILE 16 HG11 ILE 16 6.789 3.475 -1.166
133 1HG2 ILE 16 HG21 ILE 16 9.711 4.814 -0.032
134 2HG2 ILE 16 HG22 ILE 16 9.290 5.382 1.583
135 3HG2 ILE 16 HG23 ILE 16 8.853 6.342 0.170
136 1HD1 ILE 16 HD11 ILE 16 5.850 5.359 -2.381
137 2HD1 ILE 16 HD12 ILE 16 6.681 6.500 -1.324
138 3HD1 ILE 16 HD13 ILE 16 5.382 5.493 -0.686
139 H PHE 17 HN PHE 17 5.592 3.672 2.383
140 HA PHE 17 HA PHE 17 4.122 1.419 1.076
141 1HB PHE 17 HB2 PHE 17 2.880 1.444 3.375
142 2HB PHE 17 HB1 PHE 17 4.470 0.699 3.289
143 HD1 PHE 17 HD1 PHE 17 2.579 3.684 4.395
144 HD2 PHE 17 HD2 PHE 17 6.387 1.697 4.380
145 HE1 PHE 17 HE1 PHE 17 3.403 5.249 6.132
146 HE2 PHE 17 HE2 PHE 17 7.212 3.263 6.116
147 HZ PHE 17 HZ PHE 17 5.719 5.039 6.993
148 H ILE 18 HN ILE 18 2.059 1.907 0.329
149 HA ILE 18 HA ILE 18 0.960 4.626 0.925
150 HB ILE 18 HB ILE 18 0.415 4.808 -1.487
151 1HG1 ILE 18 HG12 ILE 18 2.017 2.248 -1.788
152 2HG1 ILE 18 HG11 ILE 18 0.258 2.325 -1.869
153 1HG2 ILE 18 HG21 ILE 18 2.606 5.337 -2.232
154 2HG2 ILE 18 HG22 ILE 18 3.337 4.087 -1.226
155 3HG2 ILE 18 HG23 ILE 18 2.665 5.537 -0.481
156 1HD1 ILE 18 HD11 ILE 18 0.797 4.241 -3.652
157 2HD1 ILE 18 HD12 ILE 18 0.739 2.541 -4.117
158 3HD1 ILE 18 HD13 ILE 18 2.293 3.321 -3.818
159 H ARG 19 HN ARG 19 -1.387 4.661 -0.156
160 HA ARG 19 HA ARG 19 -3.042 2.848 1.276
161 1HB ARG 19 HB2 ARG 19 -3.858 4.988 0.633
162 2HB ARG 19 HB1 ARG 19 -3.431 4.733 -1.057
163 1HG ARG 19 HG2 ARG 19 -5.822 4.475 -0.854
164 2HG ARG 19 HG1 ARG 19 -5.134 2.876 -1.128
165 1HD ARG 19 HD2 ARG 19 -6.436 2.329 0.698
166 2HD ARG 19 HD1 ARG 19 -5.056 2.978 1.600
167 HE ARG 19 HE ARG 19 -6.422 4.791 2.209
168 1HH1 ARG 19 HH21 ARG 19 -8.130 2.911 -0.048
169 2HH1 ARG 19 HH22 ARG 19 -9.226 4.167 -0.509
170 1HH2 ARG 19 HH11 ARG 19 -7.586 6.636 1.298
171 2HH2 ARG 19 HH12 ARG 19 -8.917 6.275 0.251
172 HA PRO 20 HA PRO 20 -2.629 -0.654 -1.441
173 1HB PRO 20 HB2 PRO 20 -4.446 -2.245 -0.141
174 2HB PRO 20 HB1 PRO 20 -2.789 -1.980 0.438
175 1HG PRO 20 HG2 PRO 20 -5.332 -0.748 1.357
176 2HG PRO 20 HG1 PRO 20 -3.915 -1.244 2.291
177 1HD PRO 20 HD2 PRO 20 -4.449 1.346 1.613
178 2HD PRO 20 HD1 PRO 20 -2.819 0.724 1.915
179 H ILE 21 HN ILE 21 -4.134 -1.960 -2.811
180 HA ILE 21 HA ILE 21 -6.155 -0.265 -4.051
181 HB ILE 21 HB ILE 21 -4.796 -2.894 -4.534
182 1HG1 ILE 21 HG12 ILE 21 -3.820 -0.730 -5.252
183 2HG1 ILE 21 HG11 ILE 21 -4.175 -1.786 -6.613
184 1HG2 ILE 21 HG21 ILE 21 -7.135 -3.404 -5.078
185 2HG2 ILE 21 HG22 ILE 21 -6.185 -3.261 -6.556
186 3HG2 ILE 21 HG23 ILE 21 -7.242 -1.941 -6.058
187 1HD1 ILE 21 HD11 ILE 21 -5.039 0.271 -7.336
188 2HD1 ILE 21 HD12 ILE 21 -5.620 0.698 -5.727
189 3HD1 ILE 21 HD13 ILE 21 -6.466 -0.526 -6.674
190 H GLY 22 HN GLY 22 -8.309 -1.204 -4.613
191 1HA GLY 22 HA2 GLY 22 -10.142 -2.747 -4.082
192 2HA GLY 22 HA1 GLY 22 -9.423 -2.978 -2.491
193 H CYS 23 HN CYS 23 -9.105 -0.703 -1.345
194 HA CYS 23 HA CYS 23 -11.727 0.358 -0.817
195 1HB CYS 23 HB2 CYS 23 -8.889 0.916 -0.067
196 2HB CYS 23 HB1 CYS 23 -10.086 2.144 0.321
197 H ASP 24 HN ASP 24 -9.143 1.375 -2.987
198 HA ASP 24 HA ASP 24 -10.402 3.978 -3.542
199 1HB ASP 24 HB2 ASP 24 -7.873 2.617 -3.954
200 2HB ASP 24 HB1 ASP 24 -8.422 3.358 -5.457
201 H VAL 25 HN VAL 25 -11.567 1.093 -4.251
202 HA VAL 25 HA VAL 25 -12.491 1.875 -6.962
203 HB VAL 25 HB VAL 25 -11.645 -0.930 -6.154
204 1HG1 VAL 25 HG11 VAL 25 -12.679 0.379 -8.635
205 2HG1 VAL 25 HG12 VAL 25 -13.011 -1.229 -7.992
206 3HG1 VAL 25 HG13 VAL 25 -11.488 -0.908 -8.821
207 1HG2 VAL 25 HG21 VAL 25 -9.601 0.285 -6.145
208 2HG2 VAL 25 HG22 VAL 25 -10.093 1.282 -7.513
209 3HG2 VAL 25 HG23 VAL 25 -9.687 -0.416 -7.761
210 H CYS 26 HN CYS 26 -14.120 2.491 -5.056
211 HA CYS 26 HA CYS 26 -15.725 0.713 -3.641
212 1HB CYS 26 HB2 CYS 26 -16.361 3.256 -5.155
213 2HB CYS 26 HB1 CYS 26 -17.519 2.491 -4.075
214 H TYR 27 HN TYR 27 -15.666 1.192 -7.121
215 HA TYR 27 HA TYR 27 -18.111 -0.492 -7.430
216 1HB TYR 27 HB2 TYR 27 -16.581 1.115 -9.494
217 2HB TYR 27 HB1 TYR 27 -18.202 0.453 -9.662
218 HD1 TYR 27 HD1 TYR 27 -16.266 3.288 -8.637
219 HD2 TYR 27 HD2 TYR 27 -20.007 1.275 -7.993
220 HE1 TYR 27 HE1 TYR 27 -17.216 5.362 -7.668
221 HE2 TYR 27 HE2 TYR 27 -20.955 3.351 -7.023
222 HH TYR 27 HH TYR 27 -19.722 5.531 -5.793
223 H GLY 28 HN GLY 28 -17.818 -2.592 -8.016
224 1HA GLY 28 HA2 GLY 28 -16.810 -4.190 -9.616
225 2HA GLY 28 HA1 GLY 28 -15.280 -3.345 -9.403
226 H ILE 29 HN ILE 29 -15.724 -3.144 -6.431
227 HA ILE 29 HA ILE 29 -14.594 -5.769 -5.766
228 HB ILE 29 HB ILE 29 -14.187 -4.736 -3.585
229 1HG1 ILE 29 HG12 ILE 29 -15.807 -2.378 -4.604
230 2HG1 ILE 29 HG11 ILE 29 -16.401 -3.565 -3.442
231 1HG2 ILE 29 HG21 ILE 29 -13.709 -2.771 -5.843
232 2HG2 ILE 29 HG22 ILE 29 -12.684 -4.151 -5.452
233 3HG2 ILE 29 HG23 ILE 29 -12.839 -2.817 -4.310
234 1HD1 ILE 29 HD11 ILE 29 -15.581 -1.702 -2.165
235 2HD1 ILE 29 HD12 ILE 29 -14.081 -1.649 -3.091
236 3HD1 ILE 29 HD13 ILE 29 -14.394 -2.995 -1.995
237 HA PRO 30 HA PRO 30 -18.212 -7.597 -4.135
238 1HB PRO 30 HB2 PRO 30 -17.189 -9.046 -2.044
239 2HB PRO 30 HB1 PRO 30 -16.990 -9.498 -3.749
240 1HG PRO 30 HG2 PRO 30 -15.063 -8.257 -1.887
241 2HG PRO 30 HG1 PRO 30 -14.779 -9.348 -3.243
242 1HD PRO 30 HD2 PRO 30 -14.362 -6.605 -3.285
243 2HD PRO 30 HD1 PRO 30 -14.546 -7.635 -4.716
244 H SER 31 HN SER 31 -19.747 -7.485 -2.421
245 HA SER 31 HA SER 31 -19.937 -5.071 -0.967
246 1HB SER 31 HB2 SER 31 -21.726 -6.757 -1.586
247 2HB SER 31 HB1 SER 31 -21.163 -7.748 -0.246
248 HG SER 31 HG SER 31 -21.896 -6.294 1.159
249 H SER 32 HN SER 32 -18.759 -8.263 0.131
250 HA SER 32 HA SER 32 -18.423 -7.599 2.890
251 1HB SER 32 HB2 SER 32 -18.306 -9.856 1.566
252 2HB SER 32 HB1 SER 32 -16.602 -9.456 1.363
253 HG SER 32 HG SER 32 -16.487 -9.265 3.658
254 H THR 33 HN THR 33 -16.107 -7.400 0.159
255 HA THR 33 HA THR 33 -13.933 -6.340 1.748
256 HB THR 33 HB THR 33 -14.604 -6.133 -1.207
257 HG1 THR 33 HG1 THR 33 -12.896 -7.905 0.215
258 1HG2 THR 33 HG21 THR 33 -12.913 -4.590 -1.099
259 2HG2 THR 33 HG22 THR 33 -11.911 -6.041 -1.118
260 3HG2 THR 33 HG23 THR 33 -12.274 -5.240 0.411
261 H ALA 34 HN ALA 34 -16.517 -4.870 -0.217
262 HA ALA 34 HA ALA 34 -15.722 -2.140 0.047
263 1HB ALA 34 HB1 ALA 34 -17.357 -2.594 -1.571
264 2HB ALA 34 HB2 ALA 34 -18.333 -1.896 -0.278
265 3HB ALA 34 HB3 ALA 34 -18.270 -3.646 -0.490
266 H ARG 35 HN ARG 35 -17.765 -4.214 2.120
267 HA ARG 35 HA ARG 35 -18.621 -2.188 3.962
268 1HB ARG 35 HB2 ARG 35 -19.590 -4.456 3.770
269 2HB ARG 35 HB1 ARG 35 -18.075 -5.158 4.331
270 1HG ARG 35 HG2 ARG 35 -19.478 -5.081 6.255
271 2HG ARG 35 HG1 ARG 35 -18.363 -3.728 6.439
272 1HD ARG 35 HD2 ARG 35 -20.493 -2.784 6.924
273 2HD ARG 35 HD1 ARG 35 -20.215 -2.331 5.232
274 HE ARG 35 HE ARG 35 -21.535 -4.931 5.566
275 1HH1 ARG 35 HH11 ARG 35 -21.952 -3.280 3.152
276 2HH1 ARG 35 HH12 ARG 35 -23.517 -2.588 3.421
277 1HH2 ARG 35 HH21 ARG 35 -23.523 -3.276 6.830
278 2HH2 ARG 35 HH22 ARG 35 -24.410 -2.582 5.514
279 H LEU 36 HN LEU 36 -15.813 -4.389 3.986
280 HA LEU 36 HA LEU 36 -14.676 -3.532 6.476
281 1HB LEU 36 HB2 LEU 36 -14.049 -5.184 4.150
282 2HB LEU 36 HB1 LEU 36 -12.619 -4.363 4.763
283 HG LEU 36 HG LEU 36 -13.609 -5.175 7.109
284 1HD1 LEU 36 HD11 LEU 36 -15.616 -6.180 5.983
285 2HD1 LEU 36 HD12 LEU 36 -14.686 -7.347 6.923
286 3HD1 LEU 36 HD13 LEU 36 -14.537 -7.312 5.166
287 1HD2 LEU 36 HD21 LEU 36 -12.120 -6.981 5.173
288 2HD2 LEU 36 HD22 LEU 36 -12.137 -7.149 6.928
289 3HD2 LEU 36 HD23 LEU 36 -11.383 -5.739 6.184
290 H CYS 37 HN CYS 37 -14.286 -2.400 3.130
291 HA CYS 37 HA CYS 37 -12.117 -0.578 3.542
292 1HB CYS 37 HB2 CYS 37 -14.211 -1.182 1.541
293 2HB CYS 37 HB1 CYS 37 -13.600 0.466 1.494
294 H CYS 38 HN CYS 38 -15.623 -0.241 3.999
295 HA CYS 38 HA CYS 38 -15.496 2.659 4.429
296 1HB CYS 38 HB2 CYS 38 -17.464 1.649 3.451
297 2HB CYS 38 HB1 CYS 38 -17.604 0.506 4.783
298 H PHE 39 HN PHE 39 -15.742 -0.274 6.407
299 HA PHE 39 HA PHE 39 -16.158 0.994 8.947
300 1HB PHE 39 HB2 PHE 39 -16.695 -1.284 8.788
301 2HB PHE 39 HB1 PHE 39 -15.209 -1.673 7.927
302 HD1 PHE 39 HD1 PHE 39 -13.387 -2.569 9.092
303 HD2 PHE 39 HD2 PHE 39 -16.423 -0.431 11.251
304 HE1 PHE 39 HE1 PHE 39 -12.301 -3.189 11.232
305 HE2 PHE 39 HE2 PHE 39 -15.336 -1.052 13.392
306 HZ PHE 39 HZ PHE 39 -13.275 -2.430 13.382
307 H ARG 40 HN ARG 40 -13.181 0.051 7.223
308 HA ARG 40 HA ARG 40 -11.558 1.107 9.488
309 1HB ARG 40 HB2 ARG 40 -11.262 -0.874 7.311
310 2HB ARG 40 HB1 ARG 40 -9.805 0.044 7.689
311 1HG ARG 40 HG2 ARG 40 -10.522 -0.513 10.191
312 2HG ARG 40 HG1 ARG 40 -11.339 -1.865 9.407
313 1HD ARG 40 HD2 ARG 40 -8.476 -1.273 8.687
314 2HD ARG 40 HD1 ARG 40 -8.839 -2.163 10.178
315 HE ARG 40 HE ARG 40 -10.288 -3.138 7.817
316 1HH1 ARG 40 HH11 ARG 40 -7.252 -3.328 7.406
317 2HH1 ARG 40 HH12 ARG 40 -6.945 -4.935 7.975
318 1HH2 ARG 40 HH21 ARG 40 -10.013 -5.224 9.589
319 2HH2 ARG 40 HH22 ARG 40 -8.517 -6.014 9.219
320 H TYR 41 HN TYR 41 -11.427 1.310 5.891
321 HA TYR 41 HA TYR 41 -9.755 3.691 5.989
322 1HB TYR 41 HB2 TYR 41 -11.220 2.173 3.832
323 2HB TYR 41 HB1 TYR 41 -10.265 3.610 3.482
324 HD1 TYR 41 HD1 TYR 41 -7.841 3.583 3.632
325 HD2 TYR 41 HD2 TYR 41 -10.156 0.116 4.664
326 HE1 TYR 41 HE1 TYR 41 -5.779 2.201 3.615
327 HE2 TYR 41 HE2 TYR 41 -8.095 -1.264 4.654
328 HH TYR 41 HH TYR 41 -5.231 -0.293 4.977
329 H GLY 42 HN GLY 42 -13.197 3.080 5.352
330 1HA GLY 42 HA2 GLY 42 -14.898 4.706 5.931
331 2HA GLY 42 HA1 GLY 42 -13.699 5.981 5.764
332 H ASP 43 HN ASP 43 -13.509 3.705 3.210
333 HA ASP 43 HA ASP 43 -14.925 5.621 1.403
334 1HB ASP 43 HB2 ASP 43 -12.986 3.448 0.597
335 2HB ASP 43 HB1 ASP 43 -13.409 4.902 -0.288
336 H CYS 44 HN CYS 44 -16.235 4.704 -0.318
337 HA CYS 44 HA CYS 44 -17.869 3.242 -1.188
338 1HB CYS 44 HB2 CYS 44 -16.340 1.064 0.248
339 2HB CYS 44 HB1 CYS 44 -17.284 0.917 -1.224
340 H CYS 45 HN CYS 45 -18.433 4.559 1.254
341 HA CYS 45 HA CYS 45 -19.586 2.619 3.145
342 1HB CYS 45 HB2 CYS 45 -19.373 5.623 2.904
343 2HB CYS 45 HB1 CYS 45 -20.348 4.879 4.167
344 H HIS 46 HN HIS 46 -20.902 5.367 1.260
345 HA HIS 46 HA HIS 46 -23.610 4.156 1.397
346 1HB HIS 46 HB2 HIS 46 -22.417 6.841 0.735
347 2HB HIS 46 HB1 HIS 46 -24.074 6.477 0.257
348 HD1 HIS 46 HD1 HIS 46 -25.764 5.868 2.224
349 HD2 HIS 46 HD2 HIS 46 -22.078 7.364 3.470
350 HE1 HIS 46 HE1 HIS 46 -26.041 6.520 4.656
351 H LEU 47 HN LEU 47 -22.437 2.450 -0.163
352 HA LEU 47 HA LEU 47 -22.291 3.319 -2.982
353 1HB LEU 47 HB2 LEU 47 -21.161 1.319 -1.345
354 2HB LEU 47 HB1 LEU 47 -22.194 0.455 -2.482
355 HG LEU 47 HG LEU 47 -19.925 0.712 -3.398
356 1HD1 LEU 47 HD11 LEU 47 -20.568 1.395 -5.547
357 2HD1 LEU 47 HD12 LEU 47 -21.648 2.646 -4.931
358 3HD1 LEU 47 HD13 LEU 47 -22.106 0.947 -4.808
359 1HD2 LEU 47 HD21 LEU 47 -19.466 3.251 -4.094
360 2HD2 LEU 47 HD22 LEU 47 -18.947 2.619 -2.532
361 3HD2 LEU 47 HD23 LEU 47 -20.430 3.564 -2.651
Start of MODEL 13
1 1H HIS 1 HT1 HIS 1 -1.955 0.407 -14.937
2 2H HIS 1 HT2 HIS 1 -0.682 0.200 -13.831
3 3H HIS 1 HT3 HIS 1 -0.449 1.131 -15.233
4 HA HIS 1 HA HIS 1 -0.731 2.560 -13.277
5 1HB HIS 1 HB2 HIS 1 -1.465 3.099 -15.648
6 2HB HIS 1 HB1 HIS 1 -3.093 2.604 -15.185
7 HD1 HIS 1 HD1 HIS 1 -4.309 4.071 -13.343
8 HD2 HIS 1 HD2 HIS 1 -0.687 5.635 -14.702
9 HE1 HIS 1 HE1 HIS 1 -4.229 6.480 -12.567
10 H SER 2 HN SER 2 -2.177 3.286 -11.582
11 HA SER 2 HA SER 2 -3.661 1.218 -10.237
12 1HB SER 2 HB2 SER 2 -2.494 3.279 -9.288
13 2HB SER 2 HB1 SER 2 -3.866 4.221 -9.866
14 HG SER 2 HG SER 2 -3.975 3.425 -7.636
15 H SER 3 HN SER 3 -5.985 1.113 -9.902
16 HA SER 3 HA SER 3 -7.562 2.314 -12.146
17 1HB SER 3 HB2 SER 3 -7.207 -0.297 -11.335
18 2HB SER 3 HB1 SER 3 -8.726 0.127 -10.551
19 HG SER 3 HG SER 3 -8.915 -0.682 -12.744
20 H GLY 4 HN GLY 4 -9.258 3.674 -11.644
21 1HA GLY 4 HA2 GLY 4 -9.597 4.581 -8.904
22 2HA GLY 4 HA1 GLY 4 -10.523 5.138 -10.298
23 H TYR 5 HN TYR 5 -10.399 2.823 -7.689
24 HA TYR 5 HA TYR 5 -12.587 1.134 -8.513
25 1HB TYR 5 HB2 TYR 5 -10.787 0.715 -6.767
26 2HB TYR 5 HB1 TYR 5 -11.670 1.811 -5.703
27 HD1 TYR 5 HD1 TYR 5 -13.561 1.070 -4.489
28 HD2 TYR 5 HD2 TYR 5 -12.018 -1.319 -7.709
29 HE1 TYR 5 HE1 TYR 5 -15.098 -0.770 -3.861
30 HE2 TYR 5 HE2 TYR 5 -13.556 -3.159 -7.079
31 HH TYR 5 HH TYR 5 -14.792 -3.733 -4.542
32 H THR 6 HN THR 6 -14.780 1.177 -7.789
33 HA THR 6 HA THR 6 -15.936 3.847 -7.492
34 HB THR 6 HB THR 6 -17.311 1.158 -7.253
35 HG1 THR 6 HG1 THR 6 -16.572 2.561 -9.609
36 1HG2 THR 6 HG21 THR 6 -19.138 2.439 -8.410
37 2HG2 THR 6 HG22 THR 6 -18.152 3.893 -8.247
38 3HG2 THR 6 HG23 THR 6 -18.738 3.059 -6.808
39 H ARG 7 HN ARG 7 -16.405 4.810 -5.568
40 HA ARG 7 HA ARG 7 -15.681 3.782 -3.030
41 1HB ARG 7 HB2 ARG 7 -17.061 5.696 -2.193
42 2HB ARG 7 HB1 ARG 7 -15.989 6.156 -3.514
43 1HG ARG 7 HG2 ARG 7 -18.420 5.266 -4.696
44 2HG ARG 7 HG1 ARG 7 -18.856 6.358 -3.382
45 1HD ARG 7 HD2 ARG 7 -16.605 7.210 -5.157
46 2HD ARG 7 HD1 ARG 7 -18.249 7.295 -5.819
47 HE ARG 7 HE ARG 7 -17.675 8.470 -3.132
48 1HH1 ARG 7 HH21 ARG 7 -16.944 10.104 -5.623
49 2HH1 ARG 7 HH22 ARG 7 -18.363 11.080 -5.803
50 1HH2 ARG 7 HH11 ARG 7 -20.299 9.116 -3.685
51 2HH2 ARG 7 HH12 ARG 7 -20.270 10.518 -4.701
52 HA PRO 8 HA PRO 8 -19.136 0.935 -2.623
53 1HB PRO 8 HB2 PRO 8 -18.208 -0.288 -0.359
54 2HB PRO 8 HB1 PRO 8 -17.600 -0.671 -1.982
55 1HG PRO 8 HG2 PRO 8 -16.391 1.018 0.142
56 2HG PRO 8 HG1 PRO 8 -15.614 -0.072 -1.015
57 1HD PRO 8 HD2 PRO 8 -15.678 2.656 -1.274
58 2HD PRO 8 HD1 PRO 8 -15.496 1.528 -2.635
59 H LEU 9 HN LEU 9 -20.965 0.899 -1.235
60 HA LEU 9 HA LEU 9 -21.323 3.245 0.480
61 1HB LEU 9 HB2 LEU 9 -22.906 1.225 -0.902
62 2HB LEU 9 HB1 LEU 9 -23.513 1.499 0.729
63 HG LEU 9 HG LEU 9 -24.553 3.017 -0.960
64 1HD1 LEU 9 HD11 LEU 9 -22.783 4.534 0.974
65 2HD1 LEU 9 HD12 LEU 9 -24.223 3.645 1.471
66 3HD1 LEU 9 HD13 LEU 9 -24.369 5.014 0.369
67 1HD2 LEU 9 HD21 LEU 9 -21.841 4.348 -1.123
68 2HD2 LEU 9 HD22 LEU 9 -23.271 4.673 -2.102
69 3HD2 LEU 9 HD23 LEU 9 -22.379 3.167 -2.317
70 H ARG 10 HN ARG 10 -22.318 2.921 2.710
71 HA ARG 10 HA ARG 10 -22.243 2.072 4.910
72 1HB ARG 10 HB2 ARG 10 -22.899 0.009 3.383
73 2HB ARG 10 HB1 ARG 10 -21.283 -0.547 3.810
74 1HG ARG 10 HG2 ARG 10 -21.799 -0.452 6.172
75 2HG ARG 10 HG1 ARG 10 -23.351 0.323 5.846
76 1HD ARG 10 HD2 ARG 10 -23.386 -2.020 4.286
77 2HD ARG 10 HD1 ARG 10 -22.704 -2.512 5.849
78 HE ARG 10 HE ARG 10 -24.732 -1.083 6.780
79 1HH1 ARG 10 HH11 ARG 10 -25.009 -4.071 5.936
80 2HH1 ARG 10 HH12 ARG 10 -26.530 -4.011 5.111
81 1HH2 ARG 10 HH21 ARG 10 -26.555 -0.545 4.857
82 2HH2 ARG 10 HH22 ARG 10 -27.409 -2.008 4.499
83 H LYS 11 HN LYS 11 -20.655 1.432 6.560
84 HA LYS 11 HA LYS 11 -18.080 2.552 6.211
85 1HB LYS 11 HB2 LYS 11 -17.617 1.463 8.391
86 2HB LYS 11 HB1 LYS 11 -19.213 2.208 8.372
87 1HG LYS 11 HG2 LYS 11 -20.319 0.169 8.341
88 2HG LYS 11 HG1 LYS 11 -18.981 -0.666 7.554
89 1HD LYS 11 HD2 LYS 11 -17.916 0.216 9.989
90 2HD LYS 11 HD1 LYS 11 -19.535 -0.351 10.395
91 1HE LYS 11 HE2 LYS 11 -18.519 -2.409 10.468
92 2HE LYS 11 HE1 LYS 11 -18.687 -2.344 8.703
93 1HZ LYS 11 HZ1 LYS 11 -16.367 -2.738 9.493
94 2HZ LYS 11 HZ2 LYS 11 -16.381 -1.184 10.179
95 3HZ LYS 11 HZ3 LYS 11 -16.535 -1.376 8.495
96 HA PRO 12 HA PRO 12 -15.853 -0.630 4.130
97 1HB PRO 12 HB2 PRO 12 -13.309 0.077 4.857
98 2HB PRO 12 HB1 PRO 12 -14.268 0.993 3.680
99 1HG PRO 12 HG2 PRO 12 -13.719 1.577 6.539
100 2HG PRO 12 HG1 PRO 12 -13.869 2.684 5.167
101 1HD PRO 12 HD2 PRO 12 -15.839 2.248 7.030
102 2HD PRO 12 HD1 PRO 12 -16.132 2.838 5.381
103 H SER 13 HN SER 13 -13.447 -1.815 5.044
104 HA SER 13 HA SER 13 -14.405 -3.823 6.864
105 1HB SER 13 HB2 SER 13 -11.712 -3.027 5.748
106 2HB SER 13 HB1 SER 13 -11.895 -4.411 6.822
107 HG SER 13 HG SER 13 -12.102 -5.095 4.697
108 H ARG 14 HN ARG 14 -13.277 -4.345 8.968
109 HA ARG 14 HA ARG 14 -13.472 -2.236 10.867
110 1HB ARG 14 HB2 ARG 14 -12.415 -3.912 12.379
111 2HB ARG 14 HB1 ARG 14 -13.683 -4.629 11.388
112 1HG ARG 14 HG2 ARG 14 -12.203 -6.121 10.583
113 2HG ARG 14 HG1 ARG 14 -11.243 -4.802 9.915
114 1HD ARG 14 HD2 ARG 14 -9.623 -5.437 11.381
115 2HD ARG 14 HD1 ARG 14 -10.648 -4.738 12.649
116 HE ARG 14 HE ARG 14 -10.556 -7.618 11.900
117 1HH1 ARG 14 HH11 ARG 14 -10.302 -5.891 14.600
118 2HH1 ARG 14 HH12 ARG 14 -11.670 -6.537 15.441
119 1HH2 ARG 14 HH21 ARG 14 -12.995 -8.097 12.631
120 2HH2 ARG 14 HH22 ARG 14 -13.200 -7.791 14.323
121 HA PRO 15 HA PRO 15 -9.599 -0.173 10.550
122 1HB PRO 15 HB2 PRO 15 -9.245 0.647 13.137
123 2HB PRO 15 HB1 PRO 15 -10.421 1.388 12.034
124 1HG PRO 15 HG2 PRO 15 -10.853 -0.611 14.196
125 2HG PRO 15 HG1 PRO 15 -11.855 0.768 13.719
126 1HD PRO 15 HD2 PRO 15 -12.419 -1.805 13.028
127 2HD PRO 15 HD1 PRO 15 -12.902 -0.401 12.051
128 H ILE 16 HN ILE 16 -7.363 -0.460 11.014
129 HA ILE 16 HA ILE 16 -6.625 -2.738 12.802
130 HB ILE 16 HB ILE 16 -5.105 -3.508 10.949
131 1HG1 ILE 16 HG12 ILE 16 -6.720 -1.747 9.109
132 2HG1 ILE 16 HG11 ILE 16 -5.240 -1.138 9.851
133 1HG2 ILE 16 HG21 ILE 16 -7.420 -4.439 11.342
134 2HG2 ILE 16 HG22 ILE 16 -6.839 -4.608 9.686
135 3HG2 ILE 16 HG23 ILE 16 -8.005 -3.347 10.087
136 1HD1 ILE 16 HD11 ILE 16 -3.998 -2.248 8.341
137 2HD1 ILE 16 HD12 ILE 16 -5.477 -2.800 7.555
138 3HD1 ILE 16 HD13 ILE 16 -4.739 -3.774 8.827
139 H PHE 17 HN PHE 17 -4.058 -2.807 12.831
140 HA PHE 17 HA PHE 17 -3.112 -0.357 13.988
141 1HB PHE 17 HB2 PHE 17 -1.845 -2.930 13.028
142 2HB PHE 17 HB1 PHE 17 -0.885 -1.649 13.763
143 HD1 PHE 17 HD1 PHE 17 -3.207 -4.371 14.353
144 HD2 PHE 17 HD2 PHE 17 -1.443 -0.866 16.105
145 HE1 PHE 17 HE1 PHE 17 -3.885 -5.154 16.606
146 HE2 PHE 17 HE2 PHE 17 -2.122 -1.651 18.357
147 HZ PHE 17 HZ PHE 17 -3.343 -3.794 18.607
148 H ILE 18 HN ILE 18 -0.970 0.653 13.131
149 HA ILE 18 HA ILE 18 -1.456 1.856 10.560
150 HB ILE 18 HB ILE 18 0.691 2.952 10.967
151 1HG1 ILE 18 HG12 ILE 18 1.066 0.906 13.179
152 2HG1 ILE 18 HG11 ILE 18 1.938 0.912 11.648
153 1HG2 ILE 18 HG21 ILE 18 -0.002 4.140 12.800
154 2HG2 ILE 18 HG22 ILE 18 -0.300 2.692 13.761
155 3HG2 ILE 18 HG23 ILE 18 -1.475 3.203 12.549
156 1HD1 ILE 18 HD11 ILE 18 2.587 3.353 12.292
157 2HD1 ILE 18 HD12 ILE 18 3.422 2.022 13.094
158 3HD1 ILE 18 HD13 ILE 18 2.121 2.875 13.925
159 H ARG 19 HN ARG 19 0.279 1.820 8.803
160 HA ARG 19 HA ARG 19 0.729 -0.942 7.967
161 1HB ARG 19 HB2 ARG 19 0.906 0.006 5.868
162 2HB ARG 19 HB1 ARG 19 0.043 1.307 6.678
163 1HG ARG 19 HG2 ARG 19 3.064 1.231 6.566
164 2HG ARG 19 HG1 ARG 19 2.101 1.959 5.286
165 1HD ARG 19 HD2 ARG 19 0.945 3.182 7.386
166 2HD ARG 19 HD1 ARG 19 2.565 2.923 8.066
167 HE ARG 19 HE ARG 19 3.489 4.077 6.056
168 1HH1 ARG 19 HH11 ARG 19 0.570 3.724 4.816
169 2HH1 ARG 19 HH12 ARG 19 0.134 5.395 4.691
170 1HH2 ARG 19 HH21 ARG 19 2.755 6.500 6.691
171 2HH2 ARG 19 HH22 ARG 19 1.377 6.974 5.754
172 HA PRO 20 HA PRO 20 4.874 -1.325 9.350
173 1HB PRO 20 HB2 PRO 20 5.877 -3.000 7.422
174 2HB PRO 20 HB1 PRO 20 4.779 -3.535 8.710
175 1HG PRO 20 HG2 PRO 20 4.180 -2.884 5.868
176 2HG PRO 20 HG1 PRO 20 3.534 -4.174 6.891
177 1HD PRO 20 HD2 PRO 20 2.168 -1.889 6.347
178 2HD PRO 20 HD1 PRO 20 1.966 -2.811 7.850
179 H ILE 21 HN ILE 21 7.165 -0.991 8.607
180 HA ILE 21 HA ILE 21 7.378 1.430 6.987
181 HB ILE 21 HB ILE 21 9.436 -0.314 8.385
182 1HG1 ILE 21 HG12 ILE 21 8.842 2.210 9.656
183 2HG1 ILE 21 HG11 ILE 21 7.355 1.293 9.434
184 1HG2 ILE 21 HG21 ILE 21 10.729 1.879 8.414
185 2HG2 ILE 21 HG22 ILE 21 9.558 2.490 7.246
186 3HG2 ILE 21 HG23 ILE 21 10.581 1.114 6.832
187 1HD1 ILE 21 HD11 ILE 21 8.190 0.544 11.519
188 2HD1 ILE 21 HD12 ILE 21 9.850 0.481 10.926
189 3HD1 ILE 21 HD13 ILE 21 8.674 -0.716 10.383
190 H GLY 22 HN GLY 22 9.098 1.580 5.287
191 1HA GLY 22 HA2 GLY 22 10.509 0.487 3.608
192 2HA GLY 22 HA1 GLY 22 9.498 -0.947 3.760
193 H CYS 23 HN CYS 23 7.041 -0.310 3.362
194 HA CYS 23 HA CYS 23 6.785 0.431 0.599
195 1HB CYS 23 HB2 CYS 23 4.998 -0.140 2.927
196 2HB CYS 23 HB1 CYS 23 4.271 0.535 1.478
197 H ASP 24 HN ASP 24 6.521 2.292 3.582
198 HA ASP 24 HA ASP 24 5.335 4.627 2.250
199 1HB ASP 24 HB2 ASP 24 5.260 3.661 4.748
200 2HB ASP 24 HB1 ASP 24 6.641 4.738 4.935
201 H VAL 25 HN VAL 25 8.280 3.386 1.821
202 HA VAL 25 HA VAL 25 9.599 6.041 1.608
203 HB VAL 25 HB VAL 25 10.930 3.492 2.596
204 1HG1 VAL 25 HG11 VAL 25 11.754 6.374 2.300
205 2HG1 VAL 25 HG12 VAL 25 12.607 4.919 1.783
206 3HG1 VAL 25 HG13 VAL 25 12.540 5.342 3.494
207 1HG2 VAL 25 HG21 VAL 25 9.635 5.760 4.122
208 2HG2 VAL 25 HG22 VAL 25 10.909 4.773 4.839
209 3HG2 VAL 25 HG23 VAL 25 9.393 4.026 4.333
210 H CYS 26 HN CYS 26 8.516 5.258 -0.585
211 HA CYS 26 HA CYS 26 9.454 3.228 -2.242
212 1HB CYS 26 HB2 CYS 26 8.633 6.092 -2.741
213 2HB CYS 26 HB1 CYS 26 8.968 4.989 -4.071
214 H TYR 27 HN TYR 27 11.219 6.086 -1.227
215 HA TYR 27 HA TYR 27 13.339 5.533 -3.255
216 1HB TYR 27 HB2 TYR 27 13.071 7.898 -1.386
217 2HB TYR 27 HB1 TYR 27 14.021 7.803 -2.864
218 HD1 TYR 27 HD1 TYR 27 10.936 8.847 -1.468
219 HD2 TYR 27 HD2 TYR 27 12.658 7.237 -5.060
220 HE1 TYR 27 HE1 TYR 27 8.991 9.667 -2.768
221 HE2 TYR 27 HE2 TYR 27 10.712 8.057 -6.360
222 HH TYR 27 HH TYR 27 8.182 8.608 -5.725
223 H GLY 28 HN GLY 28 15.158 4.505 -2.563
224 1HA GLY 28 HA2 GLY 28 17.047 4.474 -0.967
225 2HA GLY 28 HA1 GLY 28 15.878 4.685 0.331
226 H ILE 29 HN ILE 29 14.048 2.648 -1.063
227 HA ILE 29 HA ILE 29 15.257 0.305 0.238
228 HB ILE 29 HB ILE 29 13.063 -0.698 -0.113
229 1HG1 ILE 29 HG12 ILE 29 12.417 1.759 -1.776
230 2HG1 ILE 29 HG11 ILE 29 12.728 0.152 -2.434
231 1HG2 ILE 29 HG21 ILE 29 11.690 0.908 1.094
232 2HG2 ILE 29 HG22 ILE 29 12.755 2.227 0.609
233 3HG2 ILE 29 HG23 ILE 29 13.343 0.978 1.705
234 1HD1 ILE 29 HD11 ILE 29 10.351 1.164 -0.947
235 2HD1 ILE 29 HD12 ILE 29 10.838 -0.503 -0.641
236 3HD1 ILE 29 HD13 ILE 29 10.438 0.012 -2.280
237 HA PRO 30 HA PRO 30 16.690 -1.687 -3.381
238 1HB PRO 30 HB2 PRO 30 16.268 -4.314 -2.718
239 2HB PRO 30 HB1 PRO 30 17.565 -3.320 -2.022
240 1HG PRO 30 HG2 PRO 30 14.982 -4.150 -0.851
241 2HG PRO 30 HG1 PRO 30 16.534 -3.851 -0.065
242 1HD PRO 30 HD2 PRO 30 14.380 -2.106 -0.057
243 2HD PRO 30 HD1 PRO 30 16.061 -1.655 0.278
244 H SER 31 HN SER 31 16.008 -2.907 -5.270
245 HA SER 31 HA SER 31 13.355 -2.422 -6.164
246 1HB SER 31 HB2 SER 31 15.574 -2.945 -7.412
247 2HB SER 31 HB1 SER 31 15.129 -4.635 -7.195
248 HG SER 31 HG SER 31 13.339 -4.324 -8.414
249 H SER 32 HN SER 32 14.805 -5.395 -4.793
250 HA SER 32 HA SER 32 12.593 -7.144 -5.215
251 1HB SER 32 HB2 SER 32 15.005 -7.594 -4.398
252 2HB SER 32 HB1 SER 32 14.418 -7.150 -2.798
253 HG SER 32 HG SER 32 14.296 -9.427 -3.272
254 H THR 33 HN THR 33 13.360 -5.002 -2.461
255 HA THR 33 HA THR 33 10.994 -5.667 -0.929
256 HB THR 33 HB THR 33 12.810 -3.233 -0.973
257 HG1 THR 33 HG1 THR 33 13.781 -4.336 0.782
258 1HG2 THR 33 HG21 THR 33 11.029 -2.443 0.277
259 2HG2 THR 33 HG22 THR 33 11.935 -3.275 1.541
260 3HG2 THR 33 HG23 THR 33 10.541 -4.056 0.795
261 H ALA 34 HN ALA 34 11.812 -3.105 -3.266
262 HA ALA 34 HA ALA 34 9.367 -1.630 -3.088
263 1HB ALA 34 HB1 ALA 34 11.636 -1.956 -5.008
264 2HB ALA 34 HB2 ALA 34 11.051 -0.497 -4.208
265 3HB ALA 34 HB3 ALA 34 10.184 -1.147 -5.599
266 H ARG 35 HN ARG 35 10.330 -4.432 -5.074
267 HA ARG 35 HA ARG 35 8.019 -4.563 -6.757
268 1HB ARG 35 HB2 ARG 35 10.075 -5.818 -7.167
269 2HB ARG 35 HB1 ARG 35 9.896 -6.677 -5.641
270 1HG ARG 35 HG2 ARG 35 9.161 -8.098 -7.503
271 2HG ARG 35 HG1 ARG 35 7.792 -7.693 -6.470
272 1HD ARG 35 HD2 ARG 35 8.103 -5.667 -8.522
273 2HD ARG 35 HD1 ARG 35 7.972 -7.277 -9.257
274 HE ARG 35 HE ARG 35 5.944 -6.032 -7.467
275 1HH1 ARG 35 HH21 ARG 35 6.057 -8.911 -6.849
276 2HH1 ARG 35 HH22 ARG 35 4.972 -9.604 -8.006
277 1HH2 ARG 35 HH11 ARG 35 4.972 -6.807 -10.071
278 2HH2 ARG 35 HH12 ARG 35 4.362 -8.412 -9.844
279 H LEU 36 HN LEU 36 8.736 -6.076 -3.602
280 HA LEU 36 HA LEU 36 6.210 -7.439 -3.310
281 1HB LEU 36 HB2 LEU 36 8.650 -7.311 -2.012
282 2HB LEU 36 HB1 LEU 36 7.577 -6.513 -0.864
283 HG LEU 36 HG LEU 36 7.640 -8.908 -0.391
284 1HD1 LEU 36 HD11 LEU 36 5.462 -7.578 -0.241
285 2HD1 LEU 36 HD12 LEU 36 5.292 -9.331 -0.338
286 3HD1 LEU 36 HD13 LEU 36 5.007 -8.337 -1.766
287 1HD2 LEU 36 HD21 LEU 36 7.006 -10.570 -2.025
288 2HD2 LEU 36 HD22 LEU 36 8.249 -9.557 -2.758
289 3HD2 LEU 36 HD23 LEU 36 6.555 -9.327 -3.192
290 H CYS 37 HN CYS 37 7.353 -4.197 -2.398
291 HA CYS 37 HA CYS 37 5.056 -3.427 -0.832
292 1HB CYS 37 HB2 CYS 37 7.465 -2.224 -2.059
293 2HB CYS 37 HB1 CYS 37 6.111 -1.116 -1.863
294 H CYS 38 HN CYS 38 5.870 -3.162 -4.287
295 HA CYS 38 HA CYS 38 3.462 -1.628 -4.948
296 1HB CYS 38 HB2 CYS 38 5.523 -1.355 -6.206
297 2HB CYS 38 HB1 CYS 38 5.595 -3.080 -6.547
298 H PHE 39 HN PHE 39 4.503 -5.005 -5.045
299 HA PHE 39 HA PHE 39 2.291 -6.027 -6.584
300 1HB PHE 39 HB2 PHE 39 4.273 -7.303 -6.499
301 2HB PHE 39 HB1 PHE 39 4.407 -7.144 -4.751
302 HD1 PHE 39 HD1 PHE 39 3.571 -8.822 -3.341
303 HD2 PHE 39 HD2 PHE 39 2.216 -8.609 -7.412
304 HE1 PHE 39 HE1 PHE 39 2.347 -10.959 -3.047
305 HE2 PHE 39 HE2 PHE 39 0.993 -10.745 -7.117
306 HZ PHE 39 HZ PHE 39 1.058 -11.920 -4.934
307 H ARG 40 HN ARG 40 2.878 -5.802 -3.060
308 HA ARG 40 HA ARG 40 0.185 -6.950 -2.545
309 1HB ARG 40 HB2 ARG 40 2.776 -6.795 -1.222
310 2HB ARG 40 HB1 ARG 40 1.465 -6.357 -0.133
311 1HG ARG 40 HG2 ARG 40 0.587 -8.616 -1.626
312 2HG ARG 40 HG1 ARG 40 2.216 -8.971 -1.048
313 1HD ARG 40 HD2 ARG 40 1.568 -8.473 1.252
314 2HD ARG 40 HD1 ARG 40 -0.042 -7.952 0.716
315 HE ARG 40 HE ARG 40 0.292 -10.535 -0.332
316 1HH1 ARG 40 HH11 ARG 40 -1.888 -9.803 1.599
317 2HH1 ARG 40 HH12 ARG 40 -1.538 -10.832 2.947
318 1HH2 ARG 40 HH21 ARG 40 1.704 -11.534 1.906
319 2HH2 ARG 40 HH22 ARG 40 0.502 -11.816 3.121
320 H TYR 41 HN TYR 41 2.065 -4.075 -1.457
321 HA TYR 41 HA TYR 41 -0.352 -2.834 -0.377
322 1HB TYR 41 HB2 TYR 41 2.509 -1.919 -0.734
323 2HB TYR 41 HB1 TYR 41 1.277 -0.981 0.101
324 HD1 TYR 41 HD1 TYR 41 0.533 -1.558 2.307
325 HD2 TYR 41 HD2 TYR 41 3.236 -4.129 0.174
326 HE1 TYR 41 HE1 TYR 41 0.959 -2.836 4.388
327 HE2 TYR 41 HE2 TYR 41 3.658 -5.409 2.254
328 HH TYR 41 HH TYR 41 2.129 -5.767 4.533
329 H GLY 42 HN GLY 42 1.712 -2.372 -3.225
330 1HA GLY 42 HA2 GLY 42 0.850 -1.523 -5.314
331 2HA GLY 42 HA1 GLY 42 -0.453 -0.737 -4.431
332 H ASP 43 HN ASP 43 2.630 -0.326 -2.957
333 HA ASP 43 HA ASP 43 2.726 2.482 -3.979
334 1HB ASP 43 HB2 ASP 43 4.272 1.516 -1.598
335 2HB ASP 43 HB1 ASP 43 3.541 3.086 -1.878
336 H CYS 44 HN CYS 44 4.831 3.370 -4.484
337 HA CYS 44 HA CYS 44 6.987 3.326 -5.442
338 1HB CYS 44 HB2 CYS 44 7.251 0.610 -4.136
339 2HB CYS 44 HB1 CYS 44 8.530 1.762 -4.481
340 H CYS 45 HN CYS 45 4.784 2.411 -6.999
341 HA CYS 45 HA CYS 45 5.638 -0.046 -8.397
342 1HB CYS 45 HB2 CYS 45 3.328 1.901 -8.583
343 2HB CYS 45 HB1 CYS 45 3.533 0.590 -9.741
344 H HIS 46 HN HIS 46 4.787 3.269 -9.462
345 HA HIS 46 HA HIS 46 6.543 2.969 -11.830
346 1HB HIS 46 HB2 HIS 46 4.133 3.881 -11.775
347 2HB HIS 46 HB1 HIS 46 4.815 5.323 -11.025
348 HD1 HIS 46 HD1 HIS 46 4.195 6.728 -13.164
349 HD2 HIS 46 HD2 HIS 46 6.922 3.651 -13.865
350 HE1 HIS 46 HE1 HIS 46 5.194 7.161 -15.450
351 H LEU 47 HN LEU 47 8.510 2.984 -10.342
352 HA LEU 47 HA LEU 47 9.177 5.560 -9.059
353 1HB LEU 47 HB2 LEU 47 9.841 2.821 -8.769
354 2HB LEU 47 HB1 LEU 47 11.334 3.637 -9.232
355 HG LEU 47 HG LEU 47 10.369 5.403 -7.405
356 1HD1 LEU 47 HD11 LEU 47 9.634 3.948 -5.454
357 2HD1 LEU 47 HD12 LEU 47 9.412 2.640 -6.616
358 3HD1 LEU 47 HD13 LEU 47 8.452 4.114 -6.751
359 1HD2 LEU 47 HD21 LEU 47 11.991 4.412 -5.848
360 2HD2 LEU 47 HD22 LEU 47 12.637 4.382 -7.489
361 3HD2 LEU 47 HD23 LEU 47 11.983 2.909 -6.772
Start of MODEL 14
1 1H HIS 1 HT1 HIS 1 -43.395 5.019 1.911
2 2H HIS 1 HT2 HIS 1 -41.985 5.962 1.800
3 3H HIS 1 HT3 HIS 1 -43.094 6.233 3.056
4 HA HIS 1 HA HIS 1 -42.588 4.134 4.073
5 1HB HIS 1 HB2 HIS 1 -41.122 2.560 2.951
6 2HB HIS 1 HB1 HIS 1 -42.353 3.058 1.794
7 HD1 HIS 1 HD1 HIS 1 -38.698 3.558 2.628
8 HD2 HIS 1 HD2 HIS 1 -41.375 4.504 -0.428
9 HE1 HIS 1 HE1 HIS 1 -37.310 4.458 0.712
10 H SER 2 HN SER 2 -40.552 3.731 5.320
11 HA SER 2 HA SER 2 -39.084 6.220 5.790
12 1HB SER 2 HB2 SER 2 -39.884 4.479 7.492
13 2HB SER 2 HB1 SER 2 -38.568 3.456 6.923
14 HG SER 2 HG SER 2 -38.256 5.035 8.792
15 H SER 3 HN SER 3 -36.954 6.654 5.173
16 HA SER 3 HA SER 3 -35.588 4.577 3.491
17 1HB SER 3 HB2 SER 3 -36.508 7.103 2.828
18 2HB SER 3 HB1 SER 3 -34.804 7.393 3.165
19 HG SER 3 HG SER 3 -35.180 6.775 0.985
20 H GLY 4 HN GLY 4 -33.692 3.842 4.367
21 1HA GLY 4 HA2 GLY 4 -31.611 5.428 5.404
22 2HA GLY 4 HA1 GLY 4 -32.579 4.921 6.788
23 H TYR 5 HN TYR 5 -32.390 2.824 7.526
24 HA TYR 5 HA TYR 5 -31.554 0.637 7.754
25 1HB TYR 5 HB2 TYR 5 -32.553 0.820 5.258
26 2HB TYR 5 HB1 TYR 5 -30.863 0.514 4.854
27 HD1 TYR 5 HD1 TYR 5 -33.958 -0.960 5.878
28 HD2 TYR 5 HD2 TYR 5 -29.695 -1.466 6.068
29 HE1 TYR 5 HE1 TYR 5 -34.266 -3.362 6.411
30 HE2 TYR 5 HE2 TYR 5 -30.004 -3.868 6.600
31 HH TYR 5 HH TYR 5 -32.358 -5.196 7.792
32 H THR 6 HN THR 6 -29.662 0.934 8.919
33 HA THR 6 HA THR 6 -27.237 2.103 7.870
34 HB THR 6 HB THR 6 -27.670 0.212 10.210
35 HG1 THR 6 HG1 THR 6 -27.850 3.039 10.025
36 1HG2 THR 6 HG21 THR 6 -25.734 1.682 11.111
37 2HG2 THR 6 HG22 THR 6 -25.474 2.118 9.422
38 3HG2 THR 6 HG23 THR 6 -25.344 0.434 9.929
39 H ARG 7 HN ARG 7 -26.385 1.073 6.055
40 HA ARG 7 HA ARG 7 -26.312 -1.836 5.787
41 1HB ARG 7 HB2 ARG 7 -26.435 0.168 4.044
42 2HB ARG 7 HB1 ARG 7 -24.677 0.061 4.136
43 1HG ARG 7 HG2 ARG 7 -24.637 -2.130 3.296
44 2HG ARG 7 HG1 ARG 7 -26.325 -2.423 3.713
45 1HD ARG 7 HD2 ARG 7 -25.733 -0.234 1.749
46 2HD ARG 7 HD1 ARG 7 -25.638 -1.916 1.191
47 HE ARG 7 HE ARG 7 -28.053 -0.956 2.674
48 1HH1 ARG 7 HH11 ARG 7 -27.613 -3.781 1.523
49 2HH1 ARG 7 HH12 ARG 7 -28.591 -3.700 0.096
50 1HH2 ARG 7 HH21 ARG 7 -28.847 -0.232 0.156
51 2HH2 ARG 7 HH22 ARG 7 -29.293 -1.681 -0.682
52 HA PRO 8 HA PRO 8 -22.445 -2.354 7.899
53 1HB PRO 8 HB2 PRO 8 -21.828 -4.856 6.981
54 2HB PRO 8 HB1 PRO 8 -23.069 -4.557 8.213
55 1HG PRO 8 HG2 PRO 8 -23.381 -5.104 5.308
56 2HG PRO 8 HG1 PRO 8 -24.374 -5.639 6.671
57 1HD PRO 8 HD2 PRO 8 -25.057 -3.586 4.997
58 2HD PRO 8 HD1 PRO 8 -25.625 -3.729 6.675
59 H LEU 9 HN LEU 9 -20.256 -2.036 7.398
60 HA LEU 9 HA LEU 9 -19.563 -1.164 4.725
61 1HB LEU 9 HB2 LEU 9 -18.388 -1.326 7.420
62 2HB LEU 9 HB1 LEU 9 -17.201 -1.511 6.129
63 HG LEU 9 HG LEU 9 -19.244 0.717 6.110
64 1HD1 LEU 9 HD11 LEU 9 -16.422 0.798 7.224
65 2HD1 LEU 9 HD12 LEU 9 -17.895 0.855 8.192
66 3HD1 LEU 9 HD13 LEU 9 -17.520 2.171 7.080
67 1HD2 LEU 9 HD21 LEU 9 -18.124 0.221 3.983
68 2HD2 LEU 9 HD22 LEU 9 -16.549 0.306 4.772
69 3HD2 LEU 9 HD23 LEU 9 -17.539 1.757 4.621
70 H ARG 10 HN ARG 10 -18.966 -2.481 3.048
71 HA ARG 10 HA ARG 10 -17.620 -5.080 3.672
72 1HB ARG 10 HB2 ARG 10 -20.188 -4.916 2.944
73 2HB ARG 10 HB1 ARG 10 -19.470 -4.813 1.336
74 1HG ARG 10 HG2 ARG 10 -18.483 -6.937 1.499
75 2HG ARG 10 HG1 ARG 10 -18.577 -6.950 3.260
76 1HD ARG 10 HD2 ARG 10 -20.382 -8.331 2.803
77 2HD ARG 10 HD1 ARG 10 -21.216 -6.769 2.696
78 HE ARG 10 HE ARG 10 -20.962 -6.859 0.257
79 1HH1 ARG 10 HH21 ARG 10 -22.171 -9.553 1.166
80 2HH1 ARG 10 HH22 ARG 10 -21.276 -10.652 0.172
81 1HH2 ARG 10 HH11 ARG 10 -18.844 -8.316 -0.673
82 2HH2 ARG 10 HH12 ARG 10 -19.383 -9.950 -0.872
83 H LYS 11 HN LYS 11 -15.876 -5.551 2.329
84 HA LYS 11 HA LYS 11 -14.771 -3.437 0.691
85 1HB LYS 11 HB2 LYS 11 -12.953 -5.053 0.368
86 2HB LYS 11 HB1 LYS 11 -13.462 -5.059 2.055
87 1HG LYS 11 HG2 LYS 11 -15.063 -6.959 0.613
88 2HG LYS 11 HG1 LYS 11 -13.366 -7.263 0.251
89 1HD LYS 11 HD2 LYS 11 -13.017 -8.120 2.303
90 2HD LYS 11 HD1 LYS 11 -13.706 -6.690 3.070
91 1HE LYS 11 HE2 LYS 11 -15.396 -8.079 3.723
92 2HE LYS 11 HE1 LYS 11 -15.947 -7.977 2.040
93 1HZ LYS 11 HZ1 LYS 11 -14.063 -9.972 3.184
94 2HZ LYS 11 HZ2 LYS 11 -14.370 -9.805 1.521
95 3HZ LYS 11 HZ3 LYS 11 -15.617 -10.275 2.576
96 HA PRO 12 HA PRO 12 -16.673 -4.604 -3.129
97 1HB PRO 12 HB2 PRO 12 -15.080 -3.140 -4.804
98 2HB PRO 12 HB1 PRO 12 -16.321 -2.406 -3.771
99 1HG PRO 12 HG2 PRO 12 -13.380 -2.499 -3.419
100 2HG PRO 12 HG1 PRO 12 -14.534 -1.234 -2.974
101 1HD PRO 12 HD2 PRO 12 -13.419 -3.060 -1.219
102 2HD PRO 12 HD1 PRO 12 -14.910 -2.140 -0.930
103 H SER 13 HN SER 13 -15.349 -4.934 -5.564
104 HA SER 13 HA SER 13 -13.416 -7.157 -5.015
105 1HB SER 13 HB2 SER 13 -15.938 -7.363 -6.001
106 2HB SER 13 HB1 SER 13 -15.045 -7.136 -7.500
107 HG SER 13 HG SER 13 -14.690 -9.126 -5.510
108 H ARG 14 HN ARG 14 -12.462 -4.543 -5.377
109 HA ARG 14 HA ARG 14 -11.822 -3.996 -8.165
110 1HB ARG 14 HB2 ARG 14 -11.324 -2.869 -5.469
111 2HB ARG 14 HB1 ARG 14 -10.076 -2.521 -6.665
112 1HG ARG 14 HG2 ARG 14 -11.450 -0.801 -7.247
113 2HG ARG 14 HG1 ARG 14 -12.329 -2.048 -8.132
114 1HD ARG 14 HD2 ARG 14 -14.057 -2.110 -6.598
115 2HD ARG 14 HD1 ARG 14 -12.998 -1.699 -5.235
116 HE ARG 14 HE ARG 14 -13.224 0.457 -7.199
117 1HH1 ARG 14 HH11 ARG 14 -12.871 0.753 -4.195
118 2HH1 ARG 14 HH12 ARG 14 -14.415 1.384 -3.730
119 1HH2 ARG 14 HH21 ARG 14 -15.970 0.497 -6.710
120 2HH2 ARG 14 HH22 ARG 14 -16.176 1.240 -5.159
121 HA PRO 15 HA PRO 15 -8.160 -6.417 -8.547
122 1HB PRO 15 HB2 PRO 15 -6.660 -4.849 -10.209
123 2HB PRO 15 HB1 PRO 15 -8.089 -5.747 -10.757
124 1HG PRO 15 HG2 PRO 15 -7.799 -2.863 -10.112
125 2HG PRO 15 HG1 PRO 15 -8.767 -3.649 -11.367
126 1HD PRO 15 HD2 PRO 15 -9.782 -2.689 -9.004
127 2HD PRO 15 HD1 PRO 15 -10.538 -3.974 -9.972
128 H ILE 16 HN ILE 16 -5.739 -6.312 -8.221
129 HA ILE 16 HA ILE 16 -5.013 -5.178 -5.722
130 HB ILE 16 HB ILE 16 -3.325 -6.037 -8.099
131 1HG1 ILE 16 HG12 ILE 16 -3.412 -7.857 -5.850
132 2HG1 ILE 16 HG11 ILE 16 -5.050 -7.499 -6.395
133 1HG2 ILE 16 HG21 ILE 16 -2.626 -5.556 -5.191
134 2HG2 ILE 16 HG22 ILE 16 -1.914 -4.786 -6.608
135 3HG2 ILE 16 HG23 ILE 16 -1.607 -6.492 -6.284
136 1HD1 ILE 16 HD11 ILE 16 -3.711 -9.447 -7.538
137 2HD1 ILE 16 HD12 ILE 16 -2.921 -8.138 -8.417
138 3HD1 ILE 16 HD13 ILE 16 -4.668 -8.352 -8.536
139 H PHE 17 HN PHE 17 -3.852 -3.286 -5.169
140 HA PHE 17 HA PHE 17 -4.181 -0.976 -6.883
141 1HB PHE 17 HB2 PHE 17 -4.210 -1.124 -4.337
142 2HB PHE 17 HB1 PHE 17 -2.455 -1.277 -4.409
143 HD1 PHE 17 HD1 PHE 17 -5.279 0.924 -5.502
144 HD2 PHE 17 HD2 PHE 17 -1.093 0.642 -4.574
145 HE1 PHE 17 HE1 PHE 17 -5.070 3.386 -5.694
146 HE2 PHE 17 HE2 PHE 17 -0.886 3.105 -4.766
147 HZ PHE 17 HZ PHE 17 -2.875 4.478 -5.326
148 H ILE 18 HN ILE 18 -2.360 0.417 -7.573
149 HA ILE 18 HA ILE 18 -0.270 -1.085 -8.950
150 HB ILE 18 HB ILE 18 0.315 1.147 -9.814
151 1HG1 ILE 18 HG12 ILE 18 -1.849 2.470 -8.251
152 2HG1 ILE 18 HG11 ILE 18 -0.359 2.112 -7.380
153 1HG2 ILE 18 HG21 ILE 18 -1.766 -0.129 -10.598
154 2HG2 ILE 18 HG22 ILE 18 -1.721 1.596 -10.958
155 3HG2 ILE 18 HG23 ILE 18 -2.697 1.002 -9.616
156 1HD1 ILE 18 HD11 ILE 18 -0.393 3.526 -10.056
157 2HD1 ILE 18 HD12 ILE 18 0.958 3.381 -8.930
158 3HD1 ILE 18 HD13 ILE 18 -0.431 4.387 -8.517
159 H ARG 19 HN ARG 19 2.000 0.294 -8.809
160 HA ARG 19 HA ARG 19 3.353 -0.523 -6.498
161 1HB ARG 19 HB2 ARG 19 4.726 0.021 -8.262
162 2HB ARG 19 HB1 ARG 19 3.755 1.410 -8.725
163 1HG ARG 19 HG2 ARG 19 4.917 1.904 -6.134
164 2HG ARG 19 HG1 ARG 19 6.178 1.402 -7.255
165 1HD ARG 19 HD2 ARG 19 4.260 3.302 -8.439
166 2HD ARG 19 HD1 ARG 19 5.200 3.971 -7.093
167 HE ARG 19 HE ARG 19 6.615 2.459 -9.243
168 1HH1 ARG 19 HH11 ARG 19 5.755 5.394 -9.760
169 2HH1 ARG 19 HH12 ARG 19 7.226 6.221 -9.368
170 1HH2 ARG 19 HH21 ARG 19 8.635 3.493 -7.740
171 2HH2 ARG 19 HH22 ARG 19 8.862 5.141 -8.221
172 HA PRO 20 HA PRO 20 1.584 2.405 -3.611
173 1HB PRO 20 HB2 PRO 20 2.778 1.302 -1.406
174 2HB PRO 20 HB1 PRO 20 1.320 0.628 -2.164
175 1HG PRO 20 HG2 PRO 20 4.146 -0.259 -2.379
176 2HG PRO 20 HG1 PRO 20 2.662 -1.217 -2.328
177 1HD PRO 20 HD2 PRO 20 4.055 -0.682 -4.627
178 2HD PRO 20 HD1 PRO 20 2.321 -1.041 -4.574
179 H ILE 21 HN ILE 21 2.562 3.858 -1.906
180 HA ILE 21 HA ILE 21 4.972 5.143 -2.909
181 HB ILE 21 HB ILE 21 2.809 5.593 -0.909
182 1HG1 ILE 21 HG12 ILE 21 2.807 6.425 -3.277
183 2HG1 ILE 21 HG11 ILE 21 2.633 7.695 -2.073
184 1HG2 ILE 21 HG21 ILE 21 4.805 6.024 0.470
185 2HG2 ILE 21 HG22 ILE 21 3.973 7.530 0.086
186 3HG2 ILE 21 HG23 ILE 21 5.445 7.092 -0.780
187 1HD1 ILE 21 HD11 ILE 21 5.374 6.969 -3.068
188 2HD1 ILE 21 HD12 ILE 21 4.802 8.502 -2.411
189 3HD1 ILE 21 HD13 ILE 21 4.341 8.015 -4.042
190 H GLY 22 HN GLY 22 6.751 5.735 -1.367
191 1HA GLY 22 HA2 GLY 22 8.014 5.217 0.686
192 2HA GLY 22 HA1 GLY 22 7.314 3.601 0.640
193 H CYS 23 HN CYS 23 7.735 2.579 -1.698
194 HA CYS 23 HA CYS 23 10.622 2.239 -1.932
195 1HB CYS 23 HB2 CYS 23 8.153 1.233 -3.335
196 2HB CYS 23 HB1 CYS 23 9.746 0.817 -3.937
197 H ASP 24 HN ASP 24 8.297 4.347 -3.377
198 HA ASP 24 HA ASP 24 9.639 4.767 -5.920
199 1HB ASP 24 HB2 ASP 24 7.686 6.565 -4.457
200 2HB ASP 24 HB1 ASP 24 7.948 6.471 -6.192
201 H VAL 25 HN VAL 25 10.520 5.732 -2.780
202 HA VAL 25 HA VAL 25 12.245 7.880 -3.879
203 HB VAL 25 HB VAL 25 10.555 8.177 -1.371
204 1HG1 VAL 25 HG11 VAL 25 11.567 10.191 -1.115
205 2HG1 VAL 25 HG12 VAL 25 11.477 10.553 -2.839
206 3HG1 VAL 25 HG13 VAL 25 12.792 9.558 -2.214
207 1HG2 VAL 25 HG21 VAL 25 9.208 9.788 -2.815
208 2HG2 VAL 25 HG22 VAL 25 8.991 8.082 -3.207
209 3HG2 VAL 25 HG23 VAL 25 10.024 9.094 -4.216
210 H CYS 26 HN CYS 26 13.683 5.940 -3.548
211 HA CYS 26 HA CYS 26 14.344 4.645 -1.179
212 1HB CYS 26 HB2 CYS 26 15.900 5.655 -3.548
213 2HB CYS 26 HB1 CYS 26 16.744 4.823 -2.247
214 H TYR 27 HN TYR 27 15.007 7.996 -2.023
215 HA TYR 27 HA TYR 27 16.641 8.304 0.461
216 1HB TYR 27 HB2 TYR 27 16.308 10.012 -2.020
217 2HB TYR 27 HB1 TYR 27 17.335 10.438 -0.656
218 HD1 TYR 27 HD1 TYR 27 16.935 8.248 -3.571
219 HD2 TYR 27 HD2 TYR 27 19.356 9.117 -0.130
220 HE1 TYR 27 HE1 TYR 27 18.763 6.859 -4.506
221 HE2 TYR 27 HE2 TYR 27 21.184 7.728 -1.066
222 HH TYR 27 HH TYR 27 21.776 7.021 -3.728
223 H GLY 28 HN GLY 28 15.722 9.364 2.150
224 1HA GLY 28 HA2 GLY 28 14.472 11.350 2.953
225 2HA GLY 28 HA1 GLY 28 13.342 11.096 1.626
226 H ILE 29 HN ILE 29 13.363 8.120 2.083
227 HA ILE 29 HA ILE 29 11.235 8.079 4.089
228 HB ILE 29 HB ILE 29 11.028 5.730 3.403
229 1HG1 ILE 29 HG12 ILE 29 13.540 6.190 1.762
230 2HG1 ILE 29 HG11 ILE 29 13.499 5.296 3.281
231 1HG2 ILE 29 HG21 ILE 29 10.098 7.488 1.933
232 2HG2 ILE 29 HG22 ILE 29 10.621 6.080 1.010
233 3HG2 ILE 29 HG23 ILE 29 11.617 7.535 1.040
234 1HD1 ILE 29 HD11 ILE 29 12.721 3.449 2.253
235 2HD1 ILE 29 HD12 ILE 29 13.017 4.261 0.717
236 3HD1 ILE 29 HD13 ILE 29 11.428 4.359 1.474
237 HA PRO 30 HA PRO 30 13.559 6.722 7.538
238 1HB PRO 30 HB2 PRO 30 11.813 4.974 8.728
239 2HB PRO 30 HB1 PRO 30 11.622 6.738 8.769
240 1HG PRO 30 HG2 PRO 30 10.211 4.721 7.133
241 2HG PRO 30 HG1 PRO 30 9.633 6.260 7.774
242 1HD PRO 30 HD2 PRO 30 10.391 5.818 5.149
243 2HD PRO 30 HD1 PRO 30 10.297 7.408 5.928
244 H SER 31 HN SER 31 14.776 4.934 8.410
245 HA SER 31 HA SER 31 15.778 3.056 6.537
246 1HB SER 31 HB2 SER 31 16.662 3.973 8.821
247 2HB SER 31 HB1 SER 31 15.800 2.603 9.514
248 HG SER 31 HG SER 31 17.740 1.769 9.043
249 H SER 32 HN SER 32 13.262 2.645 9.048
250 HA SER 32 HA SER 32 12.932 -0.182 8.785
251 1HB SER 32 HB2 SER 32 11.996 1.564 10.492
252 2HB SER 32 HB1 SER 32 10.684 1.758 9.333
253 HG SER 32 HG SER 32 10.522 0.077 11.087
254 H THR 33 HN THR 33 11.265 2.520 7.128
255 HA THR 33 HA THR 33 9.617 0.836 5.448
256 HB THR 33 HB THR 33 10.657 3.674 5.131
257 HG1 THR 33 HG1 THR 33 8.095 2.835 5.980
258 1HG2 THR 33 HG21 THR 33 8.771 2.014 3.529
259 2HG2 THR 33 HG22 THR 33 9.842 3.315 3.012
260 3HG2 THR 33 HG23 THR 33 8.317 3.695 3.813
261 H ALA 34 HN ALA 34 12.790 2.400 5.044
262 HA ALA 34 HA ALA 34 13.267 1.649 2.327
263 1HB ALA 34 HB1 ALA 34 15.612 2.159 2.932
264 2HB ALA 34 HB2 ALA 34 15.187 2.079 4.642
265 3HB ALA 34 HB3 ALA 34 14.517 3.356 3.626
266 H ARG 35 HN ARG 35 13.889 -0.041 5.404
267 HA ARG 35 HA ARG 35 15.397 -2.235 4.324
268 1HB ARG 35 HB2 ARG 35 15.177 -1.562 6.740
269 2HB ARG 35 HB1 ARG 35 13.518 -2.159 6.713
270 1HG ARG 35 HG2 ARG 35 14.709 -3.995 7.559
271 2HG ARG 35 HG1 ARG 35 14.588 -4.376 5.841
272 1HD ARG 35 HD2 ARG 35 16.853 -3.380 5.487
273 2HD ARG 35 HD1 ARG 35 16.978 -3.119 7.238
274 HE ARG 35 HE ARG 35 16.321 -5.868 6.331
275 1HH1 ARG 35 HH11 ARG 35 17.229 -5.422 9.095
276 2HH1 ARG 35 HH12 ARG 35 18.916 -5.806 9.024
277 1HH2 ARG 35 HH21 ARG 35 19.088 -5.572 5.559
278 2HH2 ARG 35 HH22 ARG 35 19.974 -5.892 7.013
279 H LEU 36 HN LEU 36 11.905 -1.801 4.935
280 HA LEU 36 HA LEU 36 11.092 -4.414 4.021
281 1HB LEU 36 HB2 LEU 36 9.953 -2.239 5.272
282 2HB LEU 36 HB1 LEU 36 9.227 -2.145 3.669
283 HG LEU 36 HG LEU 36 7.819 -3.510 5.130
284 1HD1 LEU 36 HD11 LEU 36 8.187 -4.135 2.685
285 2HD1 LEU 36 HD12 LEU 36 7.585 -5.427 3.722
286 3HD1 LEU 36 HD13 LEU 36 9.287 -5.385 3.264
287 1HD2 LEU 36 HD21 LEU 36 9.727 -4.203 6.641
288 2HD2 LEU 36 HD22 LEU 36 10.193 -5.374 5.408
289 3HD2 LEU 36 HD23 LEU 36 8.628 -5.512 6.208
290 H CYS 37 HN CYS 37 11.499 -1.274 2.395
291 HA CYS 37 HA CYS 37 10.354 -2.009 -0.136
292 1HB CYS 37 HB2 CYS 37 12.028 0.134 1.042
293 2HB CYS 37 HB1 CYS 37 12.221 -0.091 -0.694
294 H CYS 38 HN CYS 38 13.573 -2.484 1.265
295 HA CYS 38 HA CYS 38 14.726 -3.378 -1.302
296 1HB CYS 38 HB2 CYS 38 16.088 -2.092 0.233
297 2HB CYS 38 HB1 CYS 38 15.708 -3.181 1.562
298 H PHE 39 HN PHE 39 13.613 -4.754 1.767
299 HA PHE 39 HA PHE 39 14.490 -7.460 1.266
300 1HB PHE 39 HB2 PHE 39 14.130 -6.784 3.507
301 2HB PHE 39 HB1 PHE 39 12.562 -6.076 3.130
302 HD1 PHE 39 HD1 PHE 39 10.610 -7.306 3.526
303 HD2 PHE 39 HD2 PHE 39 14.355 -9.369 3.105
304 HE1 PHE 39 HE1 PHE 39 9.502 -9.443 4.121
305 HE2 PHE 39 HE2 PHE 39 13.245 -11.506 3.699
306 HZ PHE 39 HZ PHE 39 10.818 -11.543 4.207
307 H ARG 40 HN ARG 40 11.410 -5.751 0.714
308 HA ARG 40 HA ARG 40 10.232 -8.242 -0.409
309 1HB ARG 40 HB2 ARG 40 9.289 -5.688 0.781
310 2HB ARG 40 HB1 ARG 40 8.255 -6.399 -0.454
311 1HG ARG 40 HG2 ARG 40 8.930 -8.595 1.072
312 2HG ARG 40 HG1 ARG 40 8.801 -7.320 2.283
313 1HD ARG 40 HD2 ARG 40 6.591 -8.235 2.072
314 2HD ARG 40 HD1 ARG 40 6.555 -6.712 1.162
315 HE ARG 40 HE ARG 40 7.344 -9.081 -0.405
316 1HH1 ARG 40 HH21 ARG 40 6.173 -6.646 -1.654
317 2HH1 ARG 40 HH22 ARG 40 4.540 -7.130 -1.966
318 1HH2 ARG 40 HH11 ARG 40 4.656 -9.852 0.192
319 2HH2 ARG 40 HH12 ARG 40 3.678 -8.949 -0.916
320 H TYR 41 HN TYR 41 10.423 -4.772 -1.364
321 HA TYR 41 HA TYR 41 9.723 -5.402 -4.130
322 1HB TYR 41 HB2 TYR 41 10.648 -2.923 -2.670
323 2HB TYR 41 HB1 TYR 41 10.229 -2.922 -4.379
324 HD1 TYR 41 HD1 TYR 41 7.941 -3.032 -5.106
325 HD2 TYR 41 HD2 TYR 41 8.936 -3.464 -0.949
326 HE1 TYR 41 HE1 TYR 41 5.545 -2.796 -4.508
327 HE2 TYR 41 HE2 TYR 41 6.540 -3.237 -0.352
328 HH TYR 41 HH TYR 41 4.116 -3.700 -2.264
329 H GLY 42 HN GLY 42 12.713 -4.576 -2.396
330 1HA GLY 42 HA2 GLY 42 14.864 -5.429 -3.105
331 2HA GLY 42 HA1 GLY 42 14.245 -5.556 -4.747
332 H ASP 43 HN ASP 43 13.367 -2.595 -3.253
333 HA ASP 43 HA ASP 43 15.508 -1.193 -4.799
334 1HB ASP 43 HB2 ASP 43 12.891 -0.043 -3.811
335 2HB ASP 43 HB1 ASP 43 13.914 0.558 -5.104
336 H CYS 44 HN CYS 44 16.367 0.790 -3.822
337 HA CYS 44 HA CYS 44 17.314 2.027 -2.045
338 1HB CYS 44 HB2 CYS 44 15.104 0.881 -0.332
339 2HB CYS 44 HB1 CYS 44 15.886 2.443 -0.177
340 H CYS 45 HN CYS 45 18.297 -0.603 -2.578
341 HA CYS 45 HA CYS 45 18.687 -1.939 0.029
342 1HB CYS 45 HB2 CYS 45 19.470 -2.467 -2.847
343 2HB CYS 45 HB1 CYS 45 20.025 -3.490 -1.525
344 H HIS 46 HN HIS 46 20.876 -0.805 -2.573
345 HA HIS 46 HA HIS 46 23.079 -0.514 -0.621
346 1HB HIS 46 HB2 HIS 46 22.733 -0.468 -3.612
347 2HB HIS 46 HB1 HIS 46 24.214 0.169 -2.898
348 HD1 HIS 46 HD1 HIS 46 25.574 -1.546 -1.325
349 HD2 HIS 46 HD2 HIS 46 22.624 -3.253 -3.726
350 HE1 HIS 46 HE1 HIS 46 26.037 -4.037 -1.369
351 H LEU 47 HN LEU 47 21.694 1.301 0.427
352 HA LEU 47 HA LEU 47 21.809 3.886 -1.041
353 1HB LEU 47 HB2 LEU 47 19.915 2.700 0.525
354 2HB LEU 47 HB1 LEU 47 20.739 3.701 1.721
355 HG LEU 47 HG LEU 47 20.501 5.423 -0.423
356 1HD1 LEU 47 HD11 LEU 47 19.057 3.828 -1.619
357 2HD1 LEU 47 HD12 LEU 47 18.137 5.253 -1.134
358 3HD1 LEU 47 HD13 LEU 47 17.977 3.749 -0.225
359 1HD2 LEU 47 HD21 LEU 47 20.022 6.245 1.721
360 2HD2 LEU 47 HD22 LEU 47 18.888 4.941 2.073
361 3HD2 LEU 47 HD23 LEU 47 18.428 6.233 0.965
Start of MODEL 15
1 1H HIS 1 HT1 HIS 1 -25.165 -4.999 12.128
2 2H HIS 1 HT2 HIS 1 -25.073 -3.925 10.815
3 3H HIS 1 HT3 HIS 1 -26.044 -3.548 12.156
4 HA HIS 1 HA HIS 1 -24.064 -2.240 12.334
5 1HB HIS 1 HB2 HIS 1 -25.155 -3.521 14.293
6 2HB HIS 1 HB1 HIS 1 -23.786 -4.628 14.174
7 HD1 HIS 1 HD1 HIS 1 -21.490 -3.781 14.956
8 HD2 HIS 1 HD2 HIS 1 -24.459 -0.861 15.147
9 HE1 HIS 1 HE1 HIS 1 -20.505 -1.841 16.251
10 H SER 2 HN SER 2 -21.775 -2.090 12.148
11 HA SER 2 HA SER 2 -20.298 -4.557 11.329
12 1HB SER 2 HB2 SER 2 -20.977 -2.135 9.770
13 2HB SER 2 HB1 SER 2 -19.293 -2.639 9.652
14 HG SER 2 HG SER 2 -19.908 -4.289 8.510
15 H SER 3 HN SER 3 -18.059 -4.486 11.846
16 HA SER 3 HA SER 3 -17.095 -2.046 13.290
17 1HB SER 3 HB2 SER 3 -17.877 -4.422 14.458
18 2HB SER 3 HB1 SER 3 -16.141 -4.655 14.278
19 HG SER 3 HG SER 3 -17.571 -2.826 15.816
20 H GLY 4 HN GLY 4 -15.796 -1.457 11.465
21 1HA GLY 4 HA2 GLY 4 -13.184 -1.999 11.253
22 2HA GLY 4 HA1 GLY 4 -13.840 -3.419 10.439
23 H TYR 5 HN TYR 5 -12.794 -2.659 8.459
24 HA TYR 5 HA TYR 5 -13.932 -0.185 7.245
25 1HB TYR 5 HB2 TYR 5 -11.401 -1.259 7.376
26 2HB TYR 5 HB1 TYR 5 -11.932 -1.786 5.779
27 HD1 TYR 5 HD1 TYR 5 -11.350 1.159 7.950
28 HD2 TYR 5 HD2 TYR 5 -12.294 -0.212 3.990
29 HE1 TYR 5 HE1 TYR 5 -10.956 3.442 7.067
30 HE2 TYR 5 HE2 TYR 5 -11.898 2.071 3.106
31 HH TYR 5 HH TYR 5 -12.029 4.538 4.270
32 H THR 6 HN THR 6 -14.957 -0.262 5.175
33 HA THR 6 HA THR 6 -15.933 -2.976 4.346
34 HB THR 6 HB THR 6 -17.286 -0.259 4.204
35 HG1 THR 6 HG1 THR 6 -17.674 -0.757 6.205
36 1HG2 THR 6 HG21 THR 6 -18.283 -3.041 3.528
37 2HG2 THR 6 HG22 THR 6 -18.006 -1.726 2.386
38 3HG2 THR 6 HG23 THR 6 -19.291 -1.596 3.587
39 H ARG 7 HN ARG 7 -15.631 -3.503 2.199
40 HA ARG 7 HA ARG 7 -14.031 -1.723 0.517
41 1HB ARG 7 HB2 ARG 7 -14.043 -3.667 -0.997
42 2HB ARG 7 HB1 ARG 7 -13.704 -4.183 0.654
43 1HG ARG 7 HG2 ARG 7 -16.548 -4.192 0.278
44 2HG ARG 7 HG1 ARG 7 -15.807 -5.064 -1.064
45 1HD ARG 7 HD2 ARG 7 -14.354 -6.134 0.920
46 2HD ARG 7 HD1 ARG 7 -15.810 -5.728 1.850
47 HE ARG 7 HE ARG 7 -17.107 -6.976 0.053
48 1HH1 ARG 7 HH11 ARG 7 -15.662 -8.955 1.732
49 2HH1 ARG 7 HH12 ARG 7 -14.827 -9.914 0.557
50 1HH2 ARG 7 HH21 ARG 7 -15.200 -7.577 -1.991
51 2HH2 ARG 7 HH22 ARG 7 -14.566 -9.131 -1.564
52 HA PRO 8 HA PRO 8 -17.404 0.132 -1.648
53 1HB PRO 8 HB2 PRO 8 -16.147 0.754 -3.999
54 2HB PRO 8 HB1 PRO 8 -15.869 1.645 -2.489
55 1HG PRO 8 HG2 PRO 8 -14.211 -0.470 -3.771
56 2HG PRO 8 HG1 PRO 8 -13.708 1.007 -2.933
57 1HD PRO 8 HD2 PRO 8 -13.630 -1.461 -1.788
58 2HD PRO 8 HD1 PRO 8 -13.853 0.039 -0.862
59 H LEU 9 HN LEU 9 -18.797 -0.229 -3.536
60 HA LEU 9 HA LEU 9 -19.183 -2.994 -4.208
61 1HB LEU 9 HB2 LEU 9 -20.681 -0.752 -4.241
62 2HB LEU 9 HB1 LEU 9 -20.264 -0.827 -5.952
63 HG LEU 9 HG LEU 9 -20.994 -3.459 -5.005
64 1HD1 LEU 9 HD11 LEU 9 -22.318 -2.260 -3.319
65 2HD1 LEU 9 HD12 LEU 9 -23.381 -2.982 -4.526
66 3HD1 LEU 9 HD13 LEU 9 -23.035 -1.254 -4.578
67 1HD2 LEU 9 HD21 LEU 9 -22.379 -1.574 -6.941
68 2HD2 LEU 9 HD22 LEU 9 -22.541 -3.329 -6.887
69 3HD2 LEU 9 HD23 LEU 9 -21.007 -2.600 -7.360
70 H ARG 10 HN ARG 10 -18.751 -4.101 -6.183
71 HA ARG 10 HA ARG 10 -16.326 -3.464 -7.564
72 1HB ARG 10 HB2 ARG 10 -18.574 -5.409 -7.766
73 2HB ARG 10 HB1 ARG 10 -17.584 -5.210 -9.211
74 1HG ARG 10 HG2 ARG 10 -16.211 -6.726 -8.221
75 2HG ARG 10 HG1 ARG 10 -15.663 -5.352 -7.260
76 1HD ARG 10 HD2 ARG 10 -16.911 -5.987 -5.390
77 2HD ARG 10 HD1 ARG 10 -18.091 -6.891 -6.362
78 HE ARG 10 HE ARG 10 -15.300 -7.819 -5.804
79 1HH1 ARG 10 HH11 ARG 10 -17.708 -9.159 -4.567
80 2HH1 ARG 10 HH12 ARG 10 -17.943 -10.510 -5.625
81 1HH2 ARG 10 HH21 ARG 10 -15.957 -9.204 -8.161
82 2HH2 ARG 10 HH22 ARG 10 -16.948 -10.535 -7.667
83 H LYS 11 HN LYS 11 -16.206 -1.583 -8.765
84 HA LYS 11 HA LYS 11 -18.307 -1.140 -10.846
85 1HB LYS 11 HB2 LYS 11 -18.278 0.340 -8.706
86 2HB LYS 11 HB1 LYS 11 -16.828 1.061 -9.404
87 1HG LYS 11 HG2 LYS 11 -18.035 1.744 -11.384
88 2HG LYS 11 HG1 LYS 11 -19.468 0.848 -10.876
89 1HD LYS 11 HD2 LYS 11 -19.116 2.409 -8.694
90 2HD LYS 11 HD1 LYS 11 -18.440 3.471 -9.930
91 1HE LYS 11 HE2 LYS 11 -20.660 2.743 -11.246
92 2HE LYS 11 HE1 LYS 11 -21.256 2.521 -9.589
93 1HZ LYS 11 HZ1 LYS 11 -20.421 4.738 -9.041
94 2HZ LYS 11 HZ2 LYS 11 -21.568 4.810 -10.292
95 3HZ LYS 11 HZ3 LYS 11 -19.914 4.958 -10.646
96 HA PRO 12 HA PRO 12 -14.745 -1.072 -13.494
97 1HB PRO 12 HB2 PRO 12 -15.968 -0.086 -15.740
98 2HB PRO 12 HB1 PRO 12 -16.173 -1.758 -15.183
99 1HG PRO 12 HG2 PRO 12 -17.993 0.571 -14.889
100 2HG PRO 12 HG1 PRO 12 -18.374 -1.132 -15.184
101 1HD PRO 12 HD2 PRO 12 -18.589 0.093 -12.743
102 2HD PRO 12 HD1 PRO 12 -18.345 -1.652 -12.965
103 H SER 13 HN SER 13 -14.297 0.869 -15.483
104 HA SER 13 HA SER 13 -13.313 3.001 -15.732
105 1HB SER 13 HB2 SER 13 -15.910 3.268 -15.417
106 2HB SER 13 HB1 SER 13 -15.462 3.985 -13.874
107 HG SER 13 HG SER 13 -15.234 5.708 -15.086
108 H ARG 14 HN ARG 14 -11.916 1.591 -13.879
109 HA ARG 14 HA ARG 14 -11.726 3.094 -11.350
110 1HB ARG 14 HB2 ARG 14 -10.602 0.590 -12.557
111 2HB ARG 14 HB1 ARG 14 -9.774 1.305 -11.173
112 1HG ARG 14 HG2 ARG 14 -11.678 1.092 -9.778
113 2HG ARG 14 HG1 ARG 14 -12.753 0.820 -11.149
114 1HD ARG 14 HD2 ARG 14 -11.596 -1.345 -11.600
115 2HD ARG 14 HD1 ARG 14 -10.601 -1.083 -10.153
116 HE ARG 14 HE ARG 14 -13.592 -1.295 -10.084
117 1HH1 ARG 14 HH21 ARG 14 -11.997 -0.049 -7.769
118 2HH1 ARG 14 HH22 ARG 14 -11.868 -1.402 -6.695
119 1HH2 ARG 14 HH11 ARG 14 -12.785 -3.735 -9.103
120 2HH2 ARG 14 HH12 ARG 14 -12.319 -3.497 -7.452
121 HA PRO 15 HA PRO 15 -8.316 5.631 -12.496
122 1HB PRO 15 HB2 PRO 15 -6.800 5.620 -10.223
123 2HB PRO 15 HB1 PRO 15 -8.351 6.473 -10.345
124 1HG PRO 15 HG2 PRO 15 -7.724 3.860 -9.078
125 2HG PRO 15 HG1 PRO 15 -8.850 5.124 -8.564
126 1HD PRO 15 HD2 PRO 15 -9.608 2.812 -9.823
127 2HD PRO 15 HD1 PRO 15 -10.541 4.323 -9.868
128 H ILE 16 HN ILE 16 -5.761 5.652 -12.300
129 HA ILE 16 HA ILE 16 -4.716 3.440 -13.782
130 HB ILE 16 HB ILE 16 -2.534 4.557 -13.332
131 1HG1 ILE 16 HG12 ILE 16 -3.886 6.701 -11.758
132 2HG1 ILE 16 HG11 ILE 16 -3.516 5.202 -10.905
133 1HG2 ILE 16 HG21 ILE 16 -4.586 6.716 -13.770
134 2HG2 ILE 16 HG22 ILE 16 -4.363 5.433 -14.960
135 3HG2 ILE 16 HG23 ILE 16 -3.021 6.502 -14.553
136 1HD1 ILE 16 HD11 ILE 16 -1.578 7.011 -12.368
137 2HD1 ILE 16 HD12 ILE 16 -1.153 5.392 -11.811
138 3HD1 ILE 16 HD13 ILE 16 -1.605 6.636 -10.645
139 H PHE 17 HN PHE 17 -2.608 2.298 -12.926
140 HA PHE 17 HA PHE 17 -3.285 0.418 -10.922
141 1HB PHE 17 HB2 PHE 17 -0.720 1.374 -12.188
142 2HB PHE 17 HB1 PHE 17 -0.700 0.103 -10.970
143 HD1 PHE 17 HD1 PHE 17 -2.040 -2.003 -11.346
144 HD2 PHE 17 HD2 PHE 17 -1.454 0.940 -14.420
145 HE1 PHE 17 HE1 PHE 17 -2.710 -3.662 -13.063
146 HE2 PHE 17 HE2 PHE 17 -2.122 -0.720 -16.136
147 HZ PHE 17 HZ PHE 17 -2.751 -3.020 -15.458
148 H ILE 18 HN ILE 18 -2.543 0.184 -8.743
149 HA ILE 18 HA ILE 18 -2.180 2.739 -7.297
150 HB ILE 18 HB ILE 18 -2.711 1.380 -5.340
151 1HG1 ILE 18 HG12 ILE 18 -2.885 -1.095 -7.045
152 2HG1 ILE 18 HG11 ILE 18 -1.331 -0.624 -6.359
153 1HG2 ILE 18 HG21 ILE 18 -4.493 0.275 -7.499
154 2HG2 ILE 18 HG22 ILE 18 -4.488 2.003 -7.150
155 3HG2 ILE 18 HG23 ILE 18 -4.925 0.850 -5.889
156 1HD1 ILE 18 HD11 ILE 18 -2.264 -2.046 -4.718
157 2HD1 ILE 18 HD12 ILE 18 -3.874 -1.353 -4.910
158 3HD1 ILE 18 HD13 ILE 18 -2.604 -0.425 -4.115
159 H ARG 19 HN ARG 19 -0.706 2.163 -5.156
160 HA ARG 19 HA ARG 19 1.978 2.387 -5.912
161 1HB ARG 19 HB2 ARG 19 2.386 2.327 -3.611
162 2HB ARG 19 HB1 ARG 19 0.672 2.717 -3.651
163 1HG ARG 19 HG2 ARG 19 1.609 -0.151 -3.483
164 2HG ARG 19 HG1 ARG 19 1.454 0.845 -2.041
165 1HD ARG 19 HD2 ARG 19 -0.918 1.096 -3.704
166 2HD ARG 19 HD1 ARG 19 -0.612 -0.595 -3.265
167 HE ARG 19 HE ARG 19 -0.366 0.259 -0.871
168 1HH1 ARG 19 HH21 ARG 19 -0.569 3.164 -1.342
169 2HH1 ARG 19 HH22 ARG 19 -2.246 3.491 -1.061
170 1HH2 ARG 19 HH11 ARG 19 -3.206 0.159 -1.346
171 2HH2 ARG 19 HH12 ARG 19 -3.748 1.779 -1.062
172 HA PRO 20 HA PRO 20 3.214 -1.631 -7.187
173 1HB PRO 20 HB2 PRO 20 5.905 -1.416 -6.707
174 2HB PRO 20 HB1 PRO 20 5.087 -0.639 -8.079
175 1HG PRO 20 HG2 PRO 20 5.943 0.528 -5.478
176 2HG PRO 20 HG1 PRO 20 6.002 1.227 -7.102
177 1HD PRO 20 HD2 PRO 20 4.093 1.873 -5.280
178 2HD PRO 20 HD1 PRO 20 3.819 1.911 -7.031
179 H ILE 21 HN ILE 21 4.573 -3.523 -6.364
180 HA ILE 21 HA ILE 21 3.755 -4.211 -3.662
181 HB ILE 21 HB ILE 21 5.003 -5.461 -6.062
182 1HG1 ILE 21 HG12 ILE 21 2.548 -5.431 -5.534
183 2HG1 ILE 21 HG11 ILE 21 3.214 -7.044 -5.756
184 1HG2 ILE 21 HG21 ILE 21 5.178 -6.761 -3.326
185 2HG2 ILE 21 HG22 ILE 21 6.551 -6.196 -4.278
186 3HG2 ILE 21 HG23 ILE 21 5.563 -7.533 -4.863
187 1HD1 ILE 21 HD11 ILE 21 1.670 -6.416 -3.647
188 2HD1 ILE 21 HD12 ILE 21 3.237 -5.956 -2.983
189 3HD1 ILE 21 HD13 ILE 21 2.966 -7.607 -3.539
190 H GLY 22 HN GLY 22 5.390 -5.241 -2.157
191 1HA GLY 22 HA2 GLY 22 7.660 -5.356 -1.277
192 2HA GLY 22 HA1 GLY 22 8.061 -3.930 -2.232
193 H CYS 23 HN CYS 23 6.468 -2.020 -1.669
194 HA CYS 23 HA CYS 23 6.944 -1.267 1.077
195 1HB CYS 23 HB2 CYS 23 5.548 -0.213 -1.342
196 2HB CYS 23 HB1 CYS 23 5.170 0.549 0.197
197 H ASP 24 HN ASP 24 4.194 -2.703 -0.602
198 HA ASP 24 HA ASP 24 2.350 -2.321 1.654
199 1HB ASP 24 HB2 ASP 24 2.212 -2.823 -1.104
200 2HB ASP 24 HB1 ASP 24 1.611 -4.300 -0.354
201 H VAL 25 HN VAL 25 4.990 -4.158 1.591
202 HA VAL 25 HA VAL 25 3.740 -6.378 3.112
203 HB VAL 25 HB VAL 25 5.917 -6.712 1.016
204 1HG1 VAL 25 HG11 VAL 25 4.785 -9.138 1.281
205 2HG1 VAL 25 HG12 VAL 25 4.455 -8.506 2.894
206 3HG1 VAL 25 HG13 VAL 25 6.115 -8.602 2.308
207 1HG2 VAL 25 HG21 VAL 25 3.999 -7.880 -0.261
208 2HG2 VAL 25 HG22 VAL 25 3.994 -6.117 -0.253
209 3HG2 VAL 25 HG23 VAL 25 2.912 -7.006 0.819
210 H CYS 26 HN CYS 26 4.699 -4.535 4.618
211 HA CYS 26 HA CYS 26 7.401 -4.031 5.073
212 1HB CYS 26 HB2 CYS 26 5.094 -4.509 6.978
213 2HB CYS 26 HB1 CYS 26 6.641 -3.859 7.505
214 H TYR 27 HN TYR 27 5.686 -7.047 5.626
215 HA TYR 27 HA TYR 27 8.032 -8.160 7.097
216 1HB TYR 27 HB2 TYR 27 5.318 -9.425 6.659
217 2HB TYR 27 HB1 TYR 27 6.492 -9.798 7.916
218 HD1 TYR 27 HD1 TYR 27 3.595 -7.889 7.086
219 HD2 TYR 27 HD2 TYR 27 7.104 -7.866 9.563
220 HE1 TYR 27 HE1 TYR 27 2.538 -6.207 8.568
221 HE2 TYR 27 HE2 TYR 27 6.046 -6.184 11.046
222 HH TYR 27 HH TYR 27 4.010 -4.292 10.508
223 H GLY 28 HN GLY 28 9.394 -9.479 5.981
224 1HA GLY 28 HA2 GLY 28 9.645 -11.491 4.556
225 2HA GLY 28 HA1 GLY 28 8.363 -10.849 3.532
226 H ILE 29 HN ILE 29 9.504 -8.075 3.705
227 HA ILE 29 HA ILE 29 11.410 -8.370 1.494
228 HB ILE 29 HB ILE 29 11.186 -5.940 1.341
229 1HG1 ILE 29 HG12 ILE 29 9.595 -6.107 3.923
230 2HG1 ILE 29 HG11 ILE 29 11.252 -5.512 3.810
231 1HG2 ILE 29 HG21 ILE 29 9.355 -7.355 0.462
232 2HG2 ILE 29 HG22 ILE 29 8.764 -5.791 1.021
233 3HG2 ILE 29 HG23 ILE 29 8.526 -7.229 2.013
234 1HD1 ILE 29 HD11 ILE 29 8.757 -4.311 2.597
235 2HD1 ILE 29 HD12 ILE 29 10.372 -3.861 2.051
236 3HD1 ILE 29 HD13 ILE 29 9.891 -3.562 3.721
237 HA PRO 30 HA PRO 30 15.086 -7.816 3.786
238 1HB PRO 30 HB2 PRO 30 16.594 -6.307 2.062
239 2HB PRO 30 HB1 PRO 30 16.264 -8.036 1.831
240 1HG PRO 30 HG2 PRO 30 15.072 -5.690 0.490
241 2HG PRO 30 HG1 PRO 30 15.364 -7.316 -0.129
242 1HD PRO 30 HD2 PRO 30 12.902 -6.339 0.690
243 2HD PRO 30 HD1 PRO 30 13.320 -8.055 0.535
244 H SER 31 HN SER 31 16.303 -6.307 5.046
245 HA SER 31 HA SER 31 14.897 -4.107 6.141
246 1HB SER 31 HB2 SER 31 16.980 -5.551 6.887
247 2HB SER 31 HB1 SER 31 17.897 -4.251 6.132
248 HG SER 31 HG SER 31 16.777 -4.285 8.522
249 H SER 32 HN SER 32 17.397 -4.148 3.584
250 HA SER 32 HA SER 32 17.727 -1.308 3.375
251 1HB SER 32 HB2 SER 32 19.065 -3.337 2.400
252 2HB SER 32 HB1 SER 32 17.928 -3.231 1.059
253 HG SER 32 HG SER 32 19.951 -1.958 0.923
254 H THR 33 HN THR 33 15.570 -3.566 1.618
255 HA THR 33 HA THR 33 14.339 -1.550 -0.043
256 HB THR 33 HB THR 33 13.370 -4.237 0.991
257 HG1 THR 33 HG1 THR 33 14.411 -3.601 -1.561
258 1HG2 THR 33 HG21 THR 33 12.188 -2.250 -0.882
259 2HG2 THR 33 HG22 THR 33 11.391 -3.432 0.155
260 3HG2 THR 33 HG23 THR 33 12.109 -3.942 -1.373
261 H ALA 34 HN ALA 34 13.511 -2.955 3.127
262 HA ALA 34 HA ALA 34 11.029 -1.607 3.526
263 1HB ALA 34 HB1 ALA 34 13.116 -2.967 5.164
264 2HB ALA 34 HB2 ALA 34 11.385 -3.291 5.064
265 3HB ALA 34 HB3 ALA 34 11.975 -1.941 6.034
266 H ARG 35 HN ARG 35 14.383 -0.603 4.206
267 HA ARG 35 HA ARG 35 13.768 1.803 5.651
268 1HB ARG 35 HB2 ARG 35 15.982 0.752 5.606
269 2HB ARG 35 HB1 ARG 35 16.096 1.007 3.866
270 1HG ARG 35 HG2 ARG 35 16.513 3.263 4.079
271 2HG ARG 35 HG1 ARG 35 15.572 3.405 5.564
272 1HD ARG 35 HD2 ARG 35 17.740 1.662 6.156
273 2HD ARG 35 HD1 ARG 35 18.418 3.057 5.293
274 HE ARG 35 HE ARG 35 17.207 4.515 6.939
275 1HH1 ARG 35 HH11 ARG 35 15.447 2.324 8.064
276 2HH1 ARG 35 HH12 ARG 35 16.226 1.990 9.574
277 1HH2 ARG 35 HH21 ARG 35 19.184 3.594 8.701
278 2HH2 ARG 35 HH22 ARG 35 18.351 2.712 9.936
279 H LEU 36 HN LEU 36 14.397 1.200 2.187
280 HA LEU 36 HA LEU 36 14.056 3.913 1.294
281 1HB LEU 36 HB2 LEU 36 14.778 1.453 0.237
282 2HB LEU 36 HB1 LEU 36 13.233 1.768 -0.551
283 HG LEU 36 HG LEU 36 15.066 2.688 -1.895
284 1HD1 LEU 36 HD11 LEU 36 12.851 3.900 -1.703
285 2HD1 LEU 36 HD12 LEU 36 14.210 4.917 -2.182
286 3HD1 LEU 36 HD13 LEU 36 13.615 4.965 -0.523
287 1HD2 LEU 36 HD21 LEU 36 16.573 4.363 -1.045
288 2HD2 LEU 36 HD22 LEU 36 16.596 3.023 0.101
289 3HD2 LEU 36 HD23 LEU 36 15.679 4.483 0.469
290 H CYS 37 HN CYS 37 11.779 1.213 1.718
291 HA CYS 37 HA CYS 37 9.473 2.393 0.506
292 1HB CYS 37 HB2 CYS 37 10.165 0.193 2.360
293 2HB CYS 37 HB1 CYS 37 8.521 0.799 2.517
294 H CYS 38 HN CYS 38 10.896 2.764 3.733
295 HA CYS 38 HA CYS 38 8.586 4.228 4.807
296 1HB CYS 38 HB2 CYS 38 9.934 2.816 6.246
297 2HB CYS 38 HB1 CYS 38 11.409 3.644 5.757
298 H PHE 39 HN PHE 39 11.815 4.967 3.541
299 HA PHE 39 HA PHE 39 11.827 7.773 4.189
300 1HB PHE 39 HB2 PHE 39 13.908 6.762 3.778
301 2HB PHE 39 HB1 PHE 39 13.320 5.911 2.353
302 HD1 PHE 39 HD1 PHE 39 13.939 9.378 3.640
303 HD2 PHE 39 HD2 PHE 39 13.735 6.787 0.221
304 HE1 PHE 39 HE1 PHE 39 14.765 11.218 2.197
305 HE2 PHE 39 HE2 PHE 39 14.561 8.626 -1.222
306 HZ PHE 39 HZ PHE 39 15.075 10.842 -0.234
307 H ARG 40 HN ARG 40 10.785 5.966 1.298
308 HA ARG 40 HA ARG 40 10.045 8.524 -0.027
309 1HB ARG 40 HB2 ARG 40 10.807 5.792 -0.808
310 2HB ARG 40 HB1 ARG 40 9.493 6.462 -1.770
311 1HG ARG 40 HG2 ARG 40 12.121 7.880 -1.246
312 2HG ARG 40 HG1 ARG 40 11.745 6.986 -2.719
313 1HD ARG 40 HD2 ARG 40 9.598 8.549 -2.748
314 2HD ARG 40 HD1 ARG 40 10.628 9.602 -1.759
315 HE ARG 40 HE ARG 40 12.362 8.999 -3.725
316 1HH1 ARG 40 HH21 ARG 40 9.879 8.087 -5.303
317 2HH1 ARG 40 HH22 ARG 40 9.563 9.502 -6.250
318 1HH2 ARG 40 HH11 ARG 40 11.588 11.565 -4.318
319 2HH2 ARG 40 HH12 ARG 40 10.535 11.479 -5.690
320 H TYR 41 HN TYR 41 8.475 5.304 0.371
321 HA TYR 41 HA TYR 41 5.842 6.424 -0.155
322 1HB TYR 41 HB2 TYR 41 6.934 3.765 0.744
323 2HB TYR 41 HB1 TYR 41 5.202 4.048 0.601
324 HD1 TYR 41 HD1 TYR 41 4.157 4.458 -1.577
325 HD2 TYR 41 HD2 TYR 41 8.371 3.705 -1.221
326 HE1 TYR 41 HE1 TYR 41 4.291 4.062 -4.022
327 HE2 TYR 41 HE2 TYR 41 8.508 3.316 -3.667
328 HH TYR 41 HH TYR 41 5.599 3.440 -5.725
329 H GLY 42 HN GLY 42 7.566 5.373 2.774
330 1HA GLY 42 HA2 GLY 42 7.182 6.471 4.907
331 2HA GLY 42 HA1 GLY 42 5.552 6.864 4.378
332 H ASP 43 HN ASP 43 6.427 3.638 3.604
333 HA ASP 43 HA ASP 43 4.795 2.653 5.911
334 1HB ASP 43 HB2 ASP 43 5.426 1.241 3.310
335 2HB ASP 43 HB1 ASP 43 4.152 0.853 4.453
336 H CYS 44 HN CYS 44 5.468 0.605 6.879
337 HA CYS 44 HA CYS 44 7.054 -0.857 7.839
338 1HB CYS 44 HB2 CYS 44 8.725 -0.203 5.400
339 2HB CYS 44 HB1 CYS 44 8.783 -1.668 6.364
340 H CYS 45 HN CYS 45 7.057 1.868 8.638
341 HA CYS 45 HA CYS 45 9.858 2.792 8.746
342 1HB CYS 45 HB2 CYS 45 7.171 3.796 9.709
343 2HB CYS 45 HB1 CYS 45 8.671 4.625 10.113
344 H HIS 46 HN HIS 46 7.322 2.210 11.211
345 HA HIS 46 HA HIS 46 9.398 1.748 13.266
346 1HB HIS 46 HB2 HIS 46 6.410 2.129 13.173
347 2HB HIS 46 HB1 HIS 46 7.174 1.516 14.639
348 HD1 HIS 46 HD1 HIS 46 6.646 4.609 12.681
349 HD2 HIS 46 HD2 HIS 46 9.112 3.368 15.805
350 HE1 HIS 46 HE1 HIS 46 7.640 6.709 13.687
351 H LEU 47 HN LEU 47 10.114 -0.299 12.109
352 HA LEU 47 HA LEU 47 8.265 -2.612 12.484
353 1HB LEU 47 HB2 LEU 47 9.416 -2.071 10.286
354 2HB LEU 47 HB1 LEU 47 10.946 -2.449 11.076
355 HG LEU 47 HG LEU 47 9.749 -4.690 11.732
356 1HD1 LEU 47 HD11 LEU 47 8.131 -3.743 9.347
357 2HD1 LEU 47 HD12 LEU 47 7.516 -4.079 10.965
358 3HD1 LEU 47 HD13 LEU 47 8.128 -5.395 9.963
359 1HD2 LEU 47 HD21 LEU 47 11.687 -4.537 10.226
360 2HD2 LEU 47 HD22 LEU 47 10.631 -4.076 8.891
361 3HD2 LEU 47 HD23 LEU 47 10.516 -5.692 9.589
Start of MODEL 16
1 1H HIS 1 HT1 HIS 1 -27.858 -0.650 -0.977
2 2H HIS 1 HT2 HIS 1 -26.952 0.061 0.271
3 3H HIS 1 HT3 HIS 1 -27.114 -1.629 0.192
4 HA HIS 1 HA HIS 1 -25.565 0.135 -1.636
5 1HB HIS 1 HB2 HIS 1 -24.984 -2.142 0.283
6 2HB HIS 1 HB1 HIS 1 -23.790 -1.526 -0.857
7 HD1 HIS 1 HD1 HIS 1 -23.082 1.036 -0.552
8 HD2 HIS 1 HD2 HIS 1 -25.330 -0.568 2.572
9 HE1 HIS 1 HE1 HIS 1 -22.832 2.628 1.402
10 H SER 2 HN SER 2 -25.046 -0.720 -3.665
11 HA SER 2 HA SER 2 -26.290 -3.357 -4.371
12 1HB SER 2 HB2 SER 2 -27.026 -1.019 -5.342
13 2HB SER 2 HB1 SER 2 -25.582 -1.192 -6.336
14 HG SER 2 HG SER 2 -27.387 -2.104 -7.366
15 H SER 3 HN SER 3 -24.923 -4.921 -5.171
16 HA SER 3 HA SER 3 -22.930 -5.983 -5.844
17 1HB SER 3 HB2 SER 3 -23.524 -4.002 -7.592
18 2HB SER 3 HB1 SER 3 -21.944 -3.443 -7.051
19 HG SER 3 HG SER 3 -21.898 -4.914 -8.863
20 H GLY 4 HN GLY 4 -22.376 -5.861 -3.443
21 1HA GLY 4 HA2 GLY 4 -20.463 -3.816 -2.603
22 2HA GLY 4 HA1 GLY 4 -20.970 -5.211 -1.653
23 H TYR 5 HN TYR 5 -18.967 -4.334 -4.475
24 HA TYR 5 HA TYR 5 -17.515 -6.862 -4.494
25 1HB TYR 5 HB2 TYR 5 -17.793 -4.478 -6.068
26 2HB TYR 5 HB1 TYR 5 -16.076 -4.745 -5.772
27 HD1 TYR 5 HD1 TYR 5 -19.091 -6.006 -7.412
28 HD2 TYR 5 HD2 TYR 5 -14.991 -6.869 -6.463
29 HE1 TYR 5 HE1 TYR 5 -19.081 -7.819 -9.102
30 HE2 TYR 5 HE2 TYR 5 -14.982 -8.683 -8.154
31 HH TYR 5 HH TYR 5 -17.256 -10.197 -9.234
32 H THR 6 HN THR 6 -15.364 -7.217 -3.770
33 HA THR 6 HA THR 6 -14.522 -5.490 -1.512
34 HB THR 6 HB THR 6 -14.687 -7.912 -1.188
35 HG1 THR 6 HG1 THR 6 -12.866 -8.005 -0.112
36 1HG2 THR 6 HG21 THR 6 -14.160 -9.331 -2.849
37 2HG2 THR 6 HG22 THR 6 -12.464 -8.877 -2.684
38 3HG2 THR 6 HG23 THR 6 -13.507 -7.999 -3.803
39 H ARG 7 HN ARG 7 -13.680 -3.668 -2.707
40 HA ARG 7 HA ARG 7 -10.916 -4.045 -3.642
41 1HB ARG 7 HB2 ARG 7 -12.552 -4.530 -5.554
42 2HB ARG 7 HB1 ARG 7 -12.981 -2.822 -5.484
43 1HG ARG 7 HG2 ARG 7 -11.290 -2.833 -7.101
44 2HG ARG 7 HG1 ARG 7 -10.397 -2.428 -5.636
45 1HD ARG 7 HD2 ARG 7 -9.635 -4.713 -5.379
46 2HD ARG 7 HD1 ARG 7 -10.696 -5.262 -6.692
47 HE ARG 7 HE ARG 7 -9.350 -3.638 -8.167
48 1HH1 ARG 7 HH11 ARG 7 -7.609 -2.655 -5.904
49 2HH1 ARG 7 HH12 ARG 7 -6.175 -3.601 -6.126
50 1HH2 ARG 7 HH21 ARG 7 -7.719 -5.927 -8.199
51 2HH2 ARG 7 HH22 ARG 7 -6.238 -5.463 -7.431
52 HA PRO 8 HA PRO 8 -10.980 -0.020 -1.722
53 1HB PRO 8 HB2 PRO 8 -8.312 0.515 -1.993
54 2HB PRO 8 HB1 PRO 8 -8.953 -0.595 -0.766
55 1HG PRO 8 HG2 PRO 8 -7.631 -1.195 -3.354
56 2HG PRO 8 HG1 PRO 8 -7.543 -2.058 -1.812
57 1HD PRO 8 HD2 PRO 8 -9.067 -2.852 -3.963
58 2HD PRO 8 HD1 PRO 8 -9.376 -3.323 -2.279
59 H LEU 9 HN LEU 9 -11.365 1.988 -2.628
60 HA LEU 9 HA LEU 9 -10.967 2.341 -5.526
61 1HB LEU 9 HB2 LEU 9 -12.228 4.033 -3.342
62 2HB LEU 9 HB1 LEU 9 -12.286 4.426 -5.060
63 HG LEU 9 HG LEU 9 -13.214 1.726 -4.103
64 1HD1 LEU 9 HD11 LEU 9 -14.342 3.612 -2.793
65 2HD1 LEU 9 HD12 LEU 9 -15.418 2.544 -3.694
66 3HD1 LEU 9 HD13 LEU 9 -15.021 4.140 -4.333
67 1HD2 LEU 9 HD21 LEU 9 -14.476 1.754 -6.142
68 2HD2 LEU 9 HD22 LEU 9 -12.869 2.350 -6.557
69 3HD2 LEU 9 HD23 LEU 9 -14.207 3.483 -6.362
70 H ARG 10 HN ARG 10 -9.773 4.144 -6.425
71 HA ARG 10 HA ARG 10 -7.235 4.691 -5.267
72 1HB ARG 10 HB2 ARG 10 -7.148 6.447 -7.067
73 2HB ARG 10 HB1 ARG 10 -7.682 4.873 -7.652
74 1HG ARG 10 HG2 ARG 10 -9.887 5.570 -7.930
75 2HG ARG 10 HG1 ARG 10 -9.742 6.853 -6.729
76 1HD ARG 10 HD2 ARG 10 -7.993 7.858 -8.442
77 2HD ARG 10 HD1 ARG 10 -8.879 6.853 -9.607
78 HE ARG 10 HE ARG 10 -9.963 9.179 -8.175
79 1HH1 ARG 10 HH11 ARG 10 -10.601 8.707 -11.016
80 2HH1 ARG 10 HH12 ARG 10 -12.203 8.052 -10.955
81 1HH2 ARG 10 HH21 ARG 10 -12.032 7.260 -7.573
82 2HH2 ARG 10 HH22 ARG 10 -13.017 7.230 -8.997
83 H LYS 11 HN LYS 11 -6.481 6.345 -3.967
84 HA LYS 11 HA LYS 11 -6.583 8.046 -2.333
85 1HB LYS 11 HB2 LYS 11 -6.860 9.180 -4.602
86 2HB LYS 11 HB1 LYS 11 -8.593 9.219 -4.276
87 1HG LYS 11 HG2 LYS 11 -7.291 10.194 -1.943
88 2HG LYS 11 HG1 LYS 11 -6.552 11.008 -3.322
89 1HD LYS 11 HD2 LYS 11 -8.581 11.949 -4.021
90 2HD LYS 11 HD1 LYS 11 -9.545 10.752 -3.156
91 1HE LYS 11 HE2 LYS 11 -9.050 11.754 -1.027
92 2HE LYS 11 HE1 LYS 11 -7.801 12.795 -1.740
93 1HZ LYS 11 HZ1 LYS 11 -10.058 13.853 -1.427
94 2HZ LYS 11 HZ2 LYS 11 -10.623 12.828 -2.658
95 3HZ LYS 11 HZ3 LYS 11 -9.403 13.966 -2.988
96 HA PRO 12 HA PRO 12 -10.698 6.552 -0.758
97 1HB PRO 12 HB2 PRO 12 -9.759 5.010 1.296
98 2HB PRO 12 HB1 PRO 12 -9.991 4.391 -0.350
99 1HG PRO 12 HG2 PRO 12 -7.499 5.146 1.050
100 2HG PRO 12 HG1 PRO 12 -7.774 3.916 -0.190
101 1HD PRO 12 HD2 PRO 12 -6.639 6.423 -0.607
102 2HD PRO 12 HD1 PRO 12 -7.292 5.356 -1.866
103 H SER 13 HN SER 13 -11.097 6.462 1.932
104 HA SER 13 HA SER 13 -9.986 9.053 2.943
105 1HB SER 13 HB2 SER 13 -12.702 7.735 3.188
106 2HB SER 13 HB1 SER 13 -12.233 9.140 4.139
107 HG SER 13 HG SER 13 -13.348 9.434 1.994
108 H ARG 14 HN ARG 14 -8.400 6.995 3.594
109 HA ARG 14 HA ARG 14 -9.283 5.706 6.099
110 1HB ARG 14 HB2 ARG 14 -6.714 5.630 4.482
111 2HB ARG 14 HB1 ARG 14 -7.046 4.605 5.877
112 1HG ARG 14 HG2 ARG 14 -9.224 4.531 3.934
113 2HG ARG 14 HG1 ARG 14 -7.691 4.026 3.223
114 1HD ARG 14 HD2 ARG 14 -8.846 2.907 5.807
115 2HD ARG 14 HD1 ARG 14 -8.904 2.096 4.231
116 HE ARG 14 HE ARG 14 -6.607 2.154 5.943
117 1HH1 ARG 14 HH11 ARG 14 -7.213 0.475 3.393
118 2HH1 ARG 14 HH12 ARG 14 -5.848 0.904 2.417
119 1HH2 ARG 14 HH21 ARG 14 -4.979 3.645 4.371
120 2HH2 ARG 14 HH22 ARG 14 -4.583 2.710 2.969
121 HA PRO 15 HA PRO 15 -7.463 9.159 8.335
122 1HB PRO 15 HB2 PRO 15 -8.230 8.318 10.819
123 2HB PRO 15 HB1 PRO 15 -9.336 9.122 9.688
124 1HG PRO 15 HG2 PRO 15 -9.077 6.239 10.354
125 2HG PRO 15 HG1 PRO 15 -10.525 7.191 9.993
126 1HD PRO 15 HD2 PRO 15 -9.303 5.504 8.208
127 2HD PRO 15 HD1 PRO 15 -10.316 6.887 7.745
128 H ILE 16 HN ILE 16 -5.952 9.250 10.321
129 HA ILE 16 HA ILE 16 -3.580 7.810 9.916
130 HB ILE 16 HB ILE 16 -3.009 8.556 12.228
131 1HG1 ILE 16 HG12 ILE 16 -5.973 9.198 12.318
132 2HG1 ILE 16 HG11 ILE 16 -5.092 8.101 13.377
133 1HG2 ILE 16 HG21 ILE 16 -4.618 10.760 10.957
134 2HG2 ILE 16 HG22 ILE 16 -3.213 10.097 10.122
135 3HG2 ILE 16 HG23 ILE 16 -3.025 10.840 11.710
136 1HD1 ILE 16 HD11 ILE 16 -5.344 10.109 14.632
137 2HD1 ILE 16 HD12 ILE 16 -4.900 11.115 13.254
138 3HD1 ILE 16 HD13 ILE 16 -3.677 10.128 14.056
139 H PHE 17 HN PHE 17 -2.877 5.782 10.454
140 HA PHE 17 HA PHE 17 -4.300 4.202 12.528
141 1HB PHE 17 HB2 PHE 17 -5.101 4.059 9.950
142 2HB PHE 17 HB1 PHE 17 -3.798 2.872 9.908
143 HD1 PHE 17 HD1 PHE 17 -6.612 3.858 12.203
144 HD2 PHE 17 HD2 PHE 17 -4.387 0.673 10.371
145 HE1 PHE 17 HE1 PHE 17 -8.087 2.195 13.302
146 HE2 PHE 17 HE2 PHE 17 -5.861 -0.990 11.471
147 HZ PHE 17 HZ PHE 17 -7.711 -0.229 12.936
148 H ILE 18 HN ILE 18 -3.134 1.948 12.659
149 HA ILE 18 HA ILE 18 -0.335 2.405 13.211
150 HB ILE 18 HB ILE 18 -0.365 0.029 13.824
151 1HG1 ILE 18 HG12 ILE 18 -3.101 -0.045 12.507
152 2HG1 ILE 18 HG11 ILE 18 -1.640 -0.761 11.830
153 1HG2 ILE 18 HG21 ILE 18 -3.093 1.074 14.570
154 2HG2 ILE 18 HG22 ILE 18 -1.633 1.858 15.173
155 3HG2 ILE 18 HG23 ILE 18 -1.948 0.166 15.558
156 1HD1 ILE 18 HD11 ILE 18 -2.565 -2.597 12.923
157 2HD1 ILE 18 HD12 ILE 18 -3.233 -1.614 14.226
158 3HD1 ILE 18 HD13 ILE 18 -1.504 -1.959 14.180
159 H ARG 19 HN ARG 19 1.323 0.747 12.285
160 HA ARG 19 HA ARG 19 1.876 1.268 9.590
161 1HB ARG 19 HB2 ARG 19 3.590 0.512 11.003
162 2HB ARG 19 HB1 ARG 19 2.651 -0.864 11.563
163 1HG ARG 19 HG2 ARG 19 2.868 -1.298 8.813
164 2HG ARG 19 HG1 ARG 19 4.444 -0.658 9.268
165 1HD ARG 19 HD2 ARG 19 4.778 -2.917 9.742
166 2HD ARG 19 HD1 ARG 19 4.164 -2.361 11.310
167 HE ARG 19 HE ARG 19 2.311 -3.450 9.221
168 1HH1 ARG 19 HH11 ARG 19 1.043 -2.437 11.663
169 2HH1 ARG 19 HH12 ARG 19 0.950 -3.836 12.678
170 1HH2 ARG 19 HH21 ARG 19 3.295 -5.637 10.847
171 2HH2 ARG 19 HH22 ARG 19 2.229 -5.660 12.212
172 HA PRO 20 HA PRO 20 -1.294 -1.333 7.756
173 1HB PRO 20 HB2 PRO 20 -0.910 -0.375 5.219
174 2HB PRO 20 HB1 PRO 20 -1.859 0.485 6.450
175 1HG PRO 20 HG2 PRO 20 0.923 0.968 5.526
176 2HG PRO 20 HG1 PRO 20 -0.324 2.124 6.009
177 1HD PRO 20 HD2 PRO 20 1.765 1.365 7.615
178 2HD PRO 20 HD1 PRO 20 0.213 1.969 8.219
179 H ILE 21 HN ILE 21 -1.229 -2.859 5.814
180 HA ILE 21 HA ILE 21 1.208 -4.467 5.898
181 HB ILE 21 HB ILE 21 -1.605 -4.626 4.930
182 1HG1 ILE 21 HG12 ILE 21 -0.760 -5.465 7.141
183 2HG1 ILE 21 HG11 ILE 21 -1.560 -6.691 6.165
184 1HG2 ILE 21 HG21 ILE 21 0.558 -6.451 3.835
185 2HG2 ILE 21 HG22 ILE 21 -0.394 -5.302 2.894
186 3HG2 ILE 21 HG23 ILE 21 -1.178 -6.691 3.646
187 1HD1 ILE 21 HD11 ILE 21 0.438 -7.788 5.657
188 2HD1 ILE 21 HD12 ILE 21 0.746 -7.243 7.305
189 3HD1 ILE 21 HD13 ILE 21 1.415 -6.348 5.941
190 H GLY 22 HN GLY 22 2.135 -5.298 3.798
191 1HA GLY 22 HA2 GLY 22 2.557 -4.947 1.402
192 2HA GLY 22 HA1 GLY 22 2.110 -3.258 1.623
193 H CYS 23 HN CYS 23 3.531 -2.334 3.620
194 HA CYS 23 HA CYS 23 6.294 -2.314 2.655
195 1HB CYS 23 HB2 CYS 23 4.677 -0.992 4.823
196 2HB CYS 23 HB1 CYS 23 6.416 -0.772 4.765
197 H ASP 24 HN ASP 24 4.538 -4.173 4.955
198 HA ASP 24 HA ASP 24 6.735 -4.671 6.810
199 1HB ASP 24 HB2 ASP 24 4.203 -6.275 6.383
200 2HB ASP 24 HB1 ASP 24 5.134 -6.119 7.864
201 H VAL 25 HN VAL 25 6.266 -5.730 3.646
202 HA VAL 25 HA VAL 25 7.965 -8.112 4.127
203 HB VAL 25 HB VAL 25 5.463 -8.129 2.403
204 1HG1 VAL 25 HG11 VAL 25 5.948 -10.323 1.965
205 2HG1 VAL 25 HG12 VAL 25 6.641 -10.596 3.564
206 3HG1 VAL 25 HG13 VAL 25 7.595 -9.800 2.314
207 1HG2 VAL 25 HG21 VAL 25 5.869 -8.988 5.285
208 2HG2 VAL 25 HG22 VAL 25 4.525 -9.561 4.298
209 3HG2 VAL 25 HG23 VAL 25 4.681 -7.843 4.663
210 H CYS 26 HN CYS 26 9.412 -6.333 3.232
211 HA CYS 26 HA CYS 26 9.325 -5.167 0.700
212 1HB CYS 26 HB2 CYS 26 11.514 -6.289 2.439
213 2HB CYS 26 HB1 CYS 26 11.913 -5.559 0.890
214 H TYR 27 HN TYR 27 9.858 -8.550 1.483
215 HA TYR 27 HA TYR 27 10.579 -9.125 -1.359
216 1HB TYR 27 HB2 TYR 27 10.706 -11.035 0.977
217 2HB TYR 27 HB1 TYR 27 11.630 -11.082 -0.519
218 HD1 TYR 27 HD1 TYR 27 11.552 -9.932 2.885
219 HD2 TYR 27 HD2 TYR 27 13.316 -9.182 -0.961
220 HE1 TYR 27 HE1 TYR 27 13.361 -8.630 3.969
221 HE2 TYR 27 HE2 TYR 27 15.125 -7.880 0.125
222 HH TYR 27 HH TYR 27 15.244 -6.521 2.484
223 H GLY 28 HN GLY 28 9.010 -10.027 -2.620
224 1HA GLY 28 HA2 GLY 28 7.366 -11.862 -2.896
225 2HA GLY 28 HA1 GLY 28 6.784 -11.500 -1.274
226 H ILE 29 HN ILE 29 6.965 -8.532 -1.829
227 HA ILE 29 HA ILE 29 4.287 -8.264 -2.975
228 HB ILE 29 HB ILE 29 4.571 -5.904 -2.361
229 1HG1 ILE 29 HG12 ILE 29 7.440 -6.637 -1.689
230 2HG1 ILE 29 HG11 ILE 29 6.951 -5.724 -3.117
231 1HG2 ILE 29 HG21 ILE 29 5.120 -6.217 0.058
232 2HG2 ILE 29 HG22 ILE 29 5.677 -7.847 -0.316
233 3HG2 ILE 29 HG23 ILE 29 3.985 -7.416 -0.559
234 1HD1 ILE 29 HD11 ILE 29 6.748 -3.818 -1.931
235 2HD1 ILE 29 HD12 ILE 29 7.541 -4.660 -0.601
236 3HD1 ILE 29 HD13 ILE 29 5.781 -4.615 -0.691
237 HA PRO 30 HA PRO 30 5.392 -7.204 -7.069
238 1HB PRO 30 HB2 PRO 30 3.522 -5.289 -7.667
239 2HB PRO 30 HB1 PRO 30 3.157 -7.023 -7.557
240 1HG PRO 30 HG2 PRO 30 2.605 -4.849 -5.634
241 2HG PRO 30 HG1 PRO 30 1.695 -6.324 -5.961
242 1HD PRO 30 HD2 PRO 30 3.358 -5.934 -3.782
243 2HD PRO 30 HD1 PRO 30 2.842 -7.513 -4.402
244 H SER 31 HN SER 31 6.410 -5.581 -8.386
245 HA SER 31 HA SER 31 8.179 -3.795 -7.079
246 1HB SER 31 HB2 SER 31 8.189 -4.819 -9.447
247 2HB SER 31 HB1 SER 31 7.150 -3.472 -9.902
248 HG SER 31 HG SER 31 9.835 -3.504 -9.129
249 H SER 32 HN SER 32 5.007 -3.147 -8.596
250 HA SER 32 HA SER 32 5.039 -0.303 -8.378
251 1HB SER 32 HB2 SER 32 3.420 -1.840 -9.618
252 2HB SER 32 HB1 SER 32 2.648 -2.144 -8.065
253 HG SER 32 HG SER 32 2.936 0.328 -9.433
254 H THR 33 HN THR 33 3.793 -2.769 -6.101
255 HA THR 33 HA THR 33 3.027 -0.867 -4.056
256 HB THR 33 HB THR 33 3.775 -3.809 -3.940
257 HG1 THR 33 HG1 THR 33 1.511 -4.066 -4.084
258 1HG2 THR 33 HG21 THR 33 2.799 -1.880 -1.913
259 2HG2 THR 33 HG22 THR 33 3.705 -3.378 -1.699
260 3HG2 THR 33 HG23 THR 33 1.960 -3.431 -1.954
261 H ALA 34 HN ALA 34 5.950 -2.798 -4.682
262 HA ALA 34 HA ALA 34 7.404 -2.105 -2.320
263 1HB ALA 34 HB1 ALA 34 8.312 -2.801 -5.134
264 2HB ALA 34 HB2 ALA 34 7.974 -3.953 -3.842
265 3HB ALA 34 HB3 ALA 34 9.343 -2.850 -3.704
266 H ARG 35 HN ARG 35 7.132 -0.500 -5.499
267 HA ARG 35 HA ARG 35 9.149 1.503 -5.043
268 1HB ARG 35 HB2 ARG 35 8.077 0.847 -7.238
269 2HB ARG 35 HB1 ARG 35 6.616 1.683 -6.711
270 1HG ARG 35 HG2 ARG 35 8.237 3.704 -6.305
271 2HG ARG 35 HG1 ARG 35 9.310 2.833 -7.401
272 1HD ARG 35 HD2 ARG 35 8.135 3.652 -9.155
273 2HD ARG 35 HD1 ARG 35 6.695 2.801 -8.564
274 HE ARG 35 HE ARG 35 6.780 4.982 -6.906
275 1HH1 ARG 35 HH21 ARG 35 8.356 6.406 -9.035
276 2HH1 ARG 35 HH22 ARG 35 7.103 7.151 -9.971
277 1HH2 ARG 35 HH11 ARG 35 4.577 5.156 -8.658
278 2HH2 ARG 35 HH12 ARG 35 4.955 6.440 -9.756
279 H LEU 36 HN LEU 36 5.629 1.444 -4.473
280 HA LEU 36 HA LEU 36 5.416 4.141 -3.471
281 1HB LEU 36 HB2 LEU 36 3.668 2.314 -4.278
282 2HB LEU 36 HB1 LEU 36 3.642 1.894 -2.565
283 HG LEU 36 HG LEU 36 3.402 4.781 -3.331
284 1HD1 LEU 36 HD11 LEU 36 1.774 3.809 -4.808
285 2HD1 LEU 36 HD12 LEU 36 0.891 4.419 -3.409
286 3HD1 LEU 36 HD13 LEU 36 1.220 2.693 -3.561
287 1HD2 LEU 36 HD21 LEU 36 2.580 2.963 -1.080
288 2HD2 LEU 36 HD22 LEU 36 1.714 4.479 -1.330
289 3HD2 LEU 36 HD23 LEU 36 3.448 4.496 -1.010
290 H CYS 37 HN CYS 37 5.977 0.987 -1.901
291 HA CYS 37 HA CYS 37 5.852 1.890 0.819
292 1HB CYS 37 HB2 CYS 37 6.766 -0.455 -0.730
293 2HB CYS 37 HB1 CYS 37 7.606 -0.222 0.799
294 H CYS 38 HN CYS 38 8.402 2.012 -1.618
295 HA CYS 38 HA CYS 38 10.469 2.799 0.338
296 1HB CYS 38 HB2 CYS 38 11.074 1.370 -1.523
297 2HB CYS 38 HB1 CYS 38 10.348 2.483 -2.678
298 H PHE 39 HN PHE 39 8.484 4.249 -2.218
299 HA PHE 39 HA PHE 39 9.713 6.862 -2.159
300 1HB PHE 39 HB2 PHE 39 8.563 6.282 -4.121
301 2HB PHE 39 HB1 PHE 39 7.197 5.610 -3.236
302 HD1 PHE 39 HD1 PHE 39 5.302 6.934 -2.729
303 HD2 PHE 39 HD2 PHE 39 8.936 8.818 -4.036
304 HE1 PHE 39 HE1 PHE 39 4.113 9.102 -2.908
305 HE2 PHE 39 HE2 PHE 39 7.746 10.986 -4.215
306 HZ PHE 39 HZ PHE 39 5.335 11.128 -3.651
307 H ARG 40 HN ARG 40 6.843 5.481 -0.541
308 HA ARG 40 HA ARG 40 6.359 8.087 0.807
309 1HB ARG 40 HB2 ARG 40 4.837 5.662 0.083
310 2HB ARG 40 HB1 ARG 40 4.399 6.367 1.636
311 1HG ARG 40 HG2 ARG 40 4.742 8.456 -0.334
312 2HG ARG 40 HG1 ARG 40 3.595 7.252 -0.920
313 1HD ARG 40 HD2 ARG 40 2.090 8.444 0.340
314 2HD ARG 40 HD1 ARG 40 2.783 7.530 1.692
315 HE ARG 40 HE ARG 40 3.874 10.195 0.850
316 1HH1 ARG 40 HH21 ARG 40 5.502 8.785 2.839
317 2HH1 ARG 40 HH22 ARG 40 4.854 9.327 4.350
318 1HH2 ARG 40 HH11 ARG 40 1.899 10.515 2.953
319 2HH2 ARG 40 HH12 ARG 40 2.806 10.314 4.415
320 H TYR 41 HN TYR 41 6.678 4.635 1.789
321 HA TYR 41 HA TYR 41 6.991 5.407 4.599
322 1HB TYR 41 HB2 TYR 41 7.127 2.807 3.066
323 2HB TYR 41 HB1 TYR 41 7.319 2.899 4.813
324 HD1 TYR 41 HD1 TYR 41 5.438 3.252 6.259
325 HD2 TYR 41 HD2 TYR 41 4.987 3.509 1.994
326 HE1 TYR 41 HE1 TYR 41 2.974 3.270 6.522
327 HE2 TYR 41 HE2 TYR 41 2.521 3.533 2.256
328 HH TYR 41 HH TYR 41 0.840 2.806 3.912
329 H GLY 42 HN GLY 42 9.108 4.207 2.008
330 1HA GLY 42 HA2 GLY 42 11.440 4.865 1.894
331 2HA GLY 42 HA1 GLY 42 11.439 5.070 3.641
332 H ASP 43 HN ASP 43 9.834 2.196 2.684
333 HA ASP 43 HA ASP 43 12.244 0.602 3.453
334 1HB ASP 43 HB2 ASP 43 9.341 -0.249 3.490
335 2HB ASP 43 HB1 ASP 43 10.685 -0.995 4.335
336 H CYS 44 HN CYS 44 12.508 -1.483 2.333
337 HA CYS 44 HA CYS 44 12.661 -2.823 0.392
338 1HB CYS 44 HB2 CYS 44 10.112 -1.466 -0.499
339 2HB CYS 44 HB1 CYS 44 10.642 -3.099 -0.856
340 H CYS 45 HN CYS 45 13.987 -0.273 0.446
341 HA CYS 45 HA CYS 45 13.573 0.975 -2.199
342 1HB CYS 45 HB2 CYS 45 15.329 1.476 0.216
343 2HB CYS 45 HB1 CYS 45 15.488 2.418 -1.264
344 H HIS 46 HN HIS 46 16.446 -0.273 -0.455
345 HA HIS 46 HA HIS 46 17.765 -0.847 -3.046
346 1HB HIS 46 HB2 HIS 46 18.570 -0.712 -0.139
347 2HB HIS 46 HB1 HIS 46 19.653 -1.419 -1.338
348 HD1 HIS 46 HD1 HIS 46 20.530 0.174 -3.245
349 HD2 HIS 46 HD2 HIS 46 18.334 2.098 -0.269
350 HE1 HIS 46 HE1 HIS 46 20.944 2.656 -3.540
351 H LEU 47 HN LEU 47 15.875 -2.586 -3.189
352 HA LEU 47 HA LEU 47 16.242 -5.031 -1.621
353 1HB LEU 47 HB2 LEU 47 14.218 -3.843 -3.055
354 2HB LEU 47 HB1 LEU 47 14.732 -5.119 -4.158
355 HG LEU 47 HG LEU 47 14.650 -6.650 -2.050
356 1HD1 LEU 47 HD11 LEU 47 12.490 -4.842 -1.094
357 2HD1 LEU 47 HD12 LEU 47 14.143 -4.342 -0.739
358 3HD1 LEU 47 HD13 LEU 47 13.555 -5.906 -0.176
359 1HD2 LEU 47 HD21 LEU 47 12.093 -5.543 -3.256
360 2HD2 LEU 47 HD22 LEU 47 12.272 -7.114 -2.474
361 3HD2 LEU 47 HD23 LEU 47 13.106 -6.785 -3.992
Start of MODEL 17
1 1H HIS 1 HT1 HIS 1 -16.382 -9.913 -12.732
2 2H HIS 1 HT2 HIS 1 -17.853 -10.116 -11.905
3 3H HIS 1 HT3 HIS 1 -16.959 -8.683 -11.717
4 HA HIS 1 HA HIS 1 -17.308 -8.180 -14.106
5 1HB HIS 1 HB2 HIS 1 -18.821 -10.778 -13.770
6 2HB HIS 1 HB1 HIS 1 -19.190 -9.668 -15.089
7 HD1 HIS 1 HD1 HIS 1 -17.095 -9.066 -16.704
8 HD2 HIS 1 HD2 HIS 1 -16.595 -12.384 -14.228
9 HE1 HIS 1 HE1 HIS 1 -15.140 -10.373 -17.643
10 H SER 2 HN SER 2 -19.237 -6.933 -14.700
11 HA SER 2 HA SER 2 -21.113 -5.586 -14.233
12 1HB SER 2 HB2 SER 2 -21.732 -7.899 -12.366
13 2HB SER 2 HB1 SER 2 -22.885 -6.690 -12.918
14 HG SER 2 HG SER 2 -23.106 -7.825 -14.661
15 H SER 3 HN SER 3 -22.260 -4.452 -12.312
16 HA SER 3 HA SER 3 -20.661 -4.281 -9.830
17 1HB SER 3 HB2 SER 3 -20.328 -1.800 -10.247
18 2HB SER 3 HB1 SER 3 -19.411 -2.851 -11.322
19 HG SER 3 HG SER 3 -20.502 -1.194 -12.464
20 H GLY 4 HN GLY 4 -21.801 -3.121 -8.150
21 1HA GLY 4 HA2 GLY 4 -24.128 -1.576 -8.415
22 2HA GLY 4 HA1 GLY 4 -24.673 -3.251 -8.325
23 H TYR 5 HN TYR 5 -25.498 -3.398 -6.274
24 HA TYR 5 HA TYR 5 -25.567 -3.432 -3.920
25 1HB TYR 5 HB2 TYR 5 -23.383 -4.743 -4.768
26 2HB TYR 5 HB1 TYR 5 -22.576 -3.457 -3.873
27 HD1 TYR 5 HD1 TYR 5 -24.661 -6.450 -3.639
28 HD2 TYR 5 HD2 TYR 5 -23.007 -3.147 -1.445
29 HE1 TYR 5 HE1 TYR 5 -25.166 -7.612 -1.508
30 HE2 TYR 5 HE2 TYR 5 -23.513 -4.309 0.686
31 HH TYR 5 HH TYR 5 -23.923 -7.277 1.105
32 H THR 6 HN THR 6 -26.264 -1.120 -4.040
33 HA THR 6 HA THR 6 -24.236 0.951 -3.496
34 HB THR 6 HB THR 6 -27.265 1.134 -3.431
35 HG1 THR 6 HG1 THR 6 -25.486 1.356 -5.633
36 1HG2 THR 6 HG21 THR 6 -26.864 3.465 -4.051
37 2HG2 THR 6 HG22 THR 6 -25.127 3.170 -4.120
38 3HG2 THR 6 HG23 THR 6 -25.976 3.081 -2.576
39 H ARG 7 HN ARG 7 -23.504 -0.148 -1.437
40 HA ARG 7 HA ARG 7 -25.015 0.925 0.868
41 1HB ARG 7 HB2 ARG 7 -25.138 -1.792 -0.036
42 2HB ARG 7 HB1 ARG 7 -24.292 -1.764 1.510
43 1HG ARG 7 HG2 ARG 7 -26.744 -0.088 1.299
44 2HG ARG 7 HG1 ARG 7 -26.978 -1.836 1.339
45 1HD ARG 7 HD2 ARG 7 -25.278 -1.718 3.368
46 2HD ARG 7 HD1 ARG 7 -25.836 -0.035 3.455
47 HE ARG 7 HE ARG 7 -28.121 -0.858 3.761
48 1HH1 ARG 7 HH11 ARG 7 -28.076 -3.446 2.380
49 2HH1 ARG 7 HH12 ARG 7 -27.975 -4.591 3.675
50 1HH2 ARG 7 HH21 ARG 7 -26.930 -2.244 6.017
51 2HH2 ARG 7 HH22 ARG 7 -27.322 -3.908 5.741
52 HA PRO 8 HA PRO 8 -20.370 1.026 1.199
53 1HB PRO 8 HB2 PRO 8 -20.153 3.731 1.540
54 2HB PRO 8 HB1 PRO 8 -20.165 2.956 -0.056
55 1HG PRO 8 HG2 PRO 8 -22.341 4.391 1.368
56 2HG PRO 8 HG1 PRO 8 -21.956 4.348 -0.359
57 1HD PRO 8 HD2 PRO 8 -23.979 2.904 0.820
58 2HD PRO 8 HD1 PRO 8 -23.194 2.466 -0.710
59 H LEU 9 HN LEU 9 -19.533 0.705 3.236
60 HA LEU 9 HA LEU 9 -21.157 1.240 5.602
61 1HB LEU 9 HB2 LEU 9 -19.272 -0.600 4.858
62 2HB LEU 9 HB1 LEU 9 -18.312 0.463 5.886
63 HG LEU 9 HG LEU 9 -20.471 0.253 7.459
64 1HD1 LEU 9 HD11 LEU 9 -20.364 -2.492 6.208
65 2HD1 LEU 9 HD12 LEU 9 -21.493 -1.267 5.628
66 3HD1 LEU 9 HD13 LEU 9 -21.581 -1.828 7.298
67 1HD2 LEU 9 HD21 LEU 9 -18.311 -1.869 7.215
68 2HD2 LEU 9 HD22 LEU 9 -19.281 -1.553 8.653
69 3HD2 LEU 9 HD23 LEU 9 -18.146 -0.335 8.070
70 H ARG 10 HN ARG 10 -21.298 3.527 5.836
71 HA ARG 10 HA ARG 10 -18.994 5.287 5.722
72 1HB ARG 10 HB2 ARG 10 -21.841 5.482 6.732
73 2HB ARG 10 HB1 ARG 10 -20.724 6.841 6.845
74 1HG ARG 10 HG2 ARG 10 -20.672 5.642 4.190
75 2HG ARG 10 HG1 ARG 10 -22.296 6.169 4.629
76 1HD ARG 10 HD2 ARG 10 -21.572 8.225 3.922
77 2HD ARG 10 HD1 ARG 10 -20.761 8.293 5.499
78 HE ARG 10 HE ARG 10 -19.400 7.110 3.106
79 1HH1 ARG 10 HH11 ARG 10 -19.151 10.105 3.600
80 2HH1 ARG 10 HH12 ARG 10 -17.665 10.181 4.485
81 1HH2 ARG 10 HH21 ARG 10 -17.632 6.786 5.229
82 2HH2 ARG 10 HH22 ARG 10 -16.800 8.294 5.410
83 H LYS 11 HN LYS 11 -17.380 5.077 7.249
84 HA LYS 11 HA LYS 11 -18.163 5.067 10.121
85 1HB LYS 11 HB2 LYS 11 -17.741 2.737 9.181
86 2HB LYS 11 HB1 LYS 11 -16.069 3.235 8.920
87 1HG LYS 11 HG2 LYS 11 -15.609 2.733 11.063
88 2HG LYS 11 HG1 LYS 11 -16.742 3.982 11.578
89 1HD LYS 11 HD2 LYS 11 -17.679 1.225 10.773
90 2HD LYS 11 HD1 LYS 11 -17.184 1.591 12.426
91 1HE LYS 11 HE2 LYS 11 -18.899 3.294 12.638
92 2HE LYS 11 HE1 LYS 11 -19.314 3.151 10.918
93 1HZ LYS 11 HZ1 LYS 11 -19.870 0.822 11.281
94 2HZ LYS 11 HZ2 LYS 11 -20.810 1.819 12.285
95 3HZ LYS 11 HZ3 LYS 11 -19.491 0.964 12.928
96 HA PRO 12 HA PRO 12 -14.904 8.116 9.907
97 1HB PRO 12 HB2 PRO 12 -15.064 8.923 12.517
98 2HB PRO 12 HB1 PRO 12 -16.223 9.437 11.276
99 1HG PRO 12 HG2 PRO 12 -16.508 7.380 13.393
100 2HG PRO 12 HG1 PRO 12 -17.713 8.491 12.724
101 1HD PRO 12 HD2 PRO 12 -17.497 5.827 12.064
102 2HD PRO 12 HD1 PRO 12 -18.275 7.059 11.050
103 H SER 13 HN SER 13 -13.060 8.609 11.796
104 HA SER 13 HA SER 13 -11.037 7.782 12.693
105 1HB SER 13 HB2 SER 13 -13.068 7.003 14.199
106 2HB SER 13 HB1 SER 13 -12.617 5.404 13.620
107 HG SER 13 HG SER 13 -11.441 5.805 15.461
108 H ARG 14 HN ARG 14 -11.162 7.212 10.033
109 HA ARG 14 HA ARG 14 -10.962 4.394 9.385
110 1HB ARG 14 HB2 ARG 14 -10.267 7.002 8.024
111 2HB ARG 14 HB1 ARG 14 -9.958 5.450 7.250
112 1HG ARG 14 HG2 ARG 14 -12.676 6.136 8.374
113 2HG ARG 14 HG1 ARG 14 -12.215 6.589 6.733
114 1HD ARG 14 HD2 ARG 14 -11.727 3.750 7.550
115 2HD ARG 14 HD1 ARG 14 -13.402 4.240 7.231
116 HE ARG 14 HE ARG 14 -12.626 5.051 4.993
117 1HH1 ARG 14 HH11 ARG 14 -12.326 2.153 4.801
118 2HH1 ARG 14 HH12 ARG 14 -10.672 1.943 4.329
119 1HH2 ARG 14 HH21 ARG 14 -9.728 5.157 5.264
120 2HH2 ARG 14 HH22 ARG 14 -9.193 3.651 4.598
121 HA PRO 15 HA PRO 15 -6.739 3.661 10.450
122 1HB PRO 15 HB2 PRO 15 -6.110 1.727 8.626
123 2HB PRO 15 HB1 PRO 15 -7.161 1.429 10.024
124 1HG PRO 15 HG2 PRO 15 -7.883 1.890 7.178
125 2HG PRO 15 HG1 PRO 15 -8.613 0.802 8.367
126 1HD PRO 15 HD2 PRO 15 -9.685 3.212 7.639
127 2HD PRO 15 HD1 PRO 15 -9.976 2.426 9.206
128 H ILE 16 HN ILE 16 -4.541 3.260 9.124
129 HA ILE 16 HA ILE 16 -3.793 5.685 7.866
130 HB ILE 16 HB ILE 16 -1.774 4.379 7.175
131 1HG1 ILE 16 HG12 ILE 16 -3.162 1.975 8.386
132 2HG1 ILE 16 HG11 ILE 16 -3.173 2.285 6.651
133 1HG2 ILE 16 HG21 ILE 16 -1.020 3.943 9.387
134 2HG2 ILE 16 HG22 ILE 16 -2.644 3.543 9.946
135 3HG2 ILE 16 HG23 ILE 16 -2.232 5.213 9.558
136 1HD1 ILE 16 HD11 ILE 16 -1.323 0.778 7.223
137 2HD1 ILE 16 HD12 ILE 16 -0.706 1.953 8.385
138 3HD1 ILE 16 HD13 ILE 16 -0.689 2.325 6.661
139 H PHE 17 HN PHE 17 -2.963 5.880 5.561
140 HA PHE 17 HA PHE 17 -5.012 5.564 3.643
141 1HB PHE 17 HB2 PHE 17 -2.057 6.078 3.606
142 2HB PHE 17 HB1 PHE 17 -2.892 5.827 2.076
143 HD1 PHE 17 HD1 PHE 17 -4.859 7.289 1.475
144 HD2 PHE 17 HD2 PHE 17 -2.306 8.117 4.830
145 HE1 PHE 17 HE1 PHE 17 -5.710 9.616 1.549
146 HE2 PHE 17 HE2 PHE 17 -3.157 10.444 4.902
147 HZ PHE 17 HZ PHE 17 -4.859 11.194 3.262
148 H ILE 18 HN ILE 18 -5.150 4.158 1.792
149 HA ILE 18 HA ILE 18 -4.356 1.375 2.362
150 HB ILE 18 HB ILE 18 -5.888 0.893 0.465
151 1HG1 ILE 18 HG12 ILE 18 -6.078 3.921 0.283
152 2HG1 ILE 18 HG11 ILE 18 -5.376 2.857 -0.929
153 1HG2 ILE 18 HG21 ILE 18 -7.878 1.472 1.600
154 2HG2 ILE 18 HG22 ILE 18 -7.198 2.981 2.207
155 3HG2 ILE 18 HG23 ILE 18 -6.659 1.440 2.875
156 1HD1 ILE 18 HD11 ILE 18 -8.023 1.928 -0.281
157 2HD1 ILE 18 HD12 ILE 18 -7.399 2.484 -1.834
158 3HD1 ILE 18 HD13 ILE 18 -8.088 3.641 -0.695
159 H ARG 19 HN ARG 19 -2.024 2.387 1.968
160 HA ARG 19 HA ARG 19 -1.040 2.943 -0.628
161 1HB ARG 19 HB2 ARG 19 1.009 2.910 0.441
162 2HB ARG 19 HB1 ARG 19 -0.037 2.979 1.853
163 1HG ARG 19 HG2 ARG 19 0.873 0.339 0.690
164 2HG ARG 19 HG1 ARG 19 1.849 1.223 1.859
165 1HD ARG 19 HD2 ARG 19 -0.502 1.298 3.173
166 2HD ARG 19 HD1 ARG 19 -0.730 -0.213 2.269
167 HE ARG 19 HE ARG 19 1.412 -1.018 3.240
168 1HH1 ARG 19 HH11 ARG 19 1.962 2.013 4.040
169 2HH1 ARG 19 HH12 ARG 19 1.951 1.839 5.762
170 1HH2 ARG 19 HH21 ARG 19 0.563 -1.347 5.696
171 2HH2 ARG 19 HH22 ARG 19 1.158 -0.071 6.705
172 HA PRO 20 HA PRO 20 -1.189 -0.895 -2.740
173 1HB PRO 20 HB2 PRO 20 0.981 -0.622 -4.395
174 2HB PRO 20 HB1 PRO 20 -0.550 0.242 -4.639
175 1HG PRO 20 HG2 PRO 20 1.992 1.209 -3.430
176 2HG PRO 20 HG1 PRO 20 0.863 2.046 -4.503
177 1HD PRO 20 HD2 PRO 20 0.941 2.462 -1.820
178 2HD PRO 20 HD1 PRO 20 -0.535 2.638 -2.790
179 H ILE 21 HN ILE 21 0.098 -2.882 -3.145
180 HA ILE 21 HA ILE 21 1.679 -3.630 -0.822
181 HB ILE 21 HB ILE 21 0.449 -4.884 -3.240
182 1HG1 ILE 21 HG12 ILE 21 -0.742 -4.595 -1.077
183 2HG1 ILE 21 HG11 ILE 21 -0.590 -6.284 -1.545
184 1HG2 ILE 21 HG21 ILE 21 2.516 -6.302 -1.528
185 2HG2 ILE 21 HG22 ILE 21 2.702 -5.890 -3.233
186 3HG2 ILE 21 HG23 ILE 21 1.485 -7.065 -2.737
187 1HD1 ILE 21 HD11 ILE 21 1.594 -6.229 -0.103
188 2HD1 ILE 21 HD12 ILE 21 0.036 -6.334 0.715
189 3HD1 ILE 21 HD13 ILE 21 0.875 -4.787 0.614
190 H GLY 22 HN GLY 22 3.755 -4.858 -1.144
191 1HA GLY 22 HA2 GLY 22 5.802 -5.242 -2.415
192 2HA GLY 22 HA1 GLY 22 5.427 -3.814 -3.375
193 H CYS 23 HN CYS 23 5.100 -1.797 -1.807
194 HA CYS 23 HA CYS 23 7.663 -1.202 -0.656
195 1HB CYS 23 HB2 CYS 23 4.966 0.053 -0.886
196 2HB CYS 23 HB1 CYS 23 6.079 0.755 0.281
197 H ASP 24 HN ASP 24 4.661 -2.400 0.759
198 HA ASP 24 HA ASP 24 5.597 -1.968 3.516
199 1HB ASP 24 HB2 ASP 24 3.178 -2.055 2.336
200 2HB ASP 24 HB1 ASP 24 3.297 -3.739 2.840
201 H VAL 25 HN VAL 25 6.784 -4.001 1.338
202 HA VAL 25 HA VAL 25 7.170 -6.206 3.291
203 HB VAL 25 HB VAL 25 6.691 -6.589 0.316
204 1HG1 VAL 25 HG11 VAL 25 7.109 -8.359 2.687
205 2HG1 VAL 25 HG12 VAL 25 7.674 -8.552 1.028
206 3HG1 VAL 25 HG13 VAL 25 5.997 -8.914 1.435
207 1HG2 VAL 25 HG21 VAL 25 4.740 -6.580 2.628
208 2HG2 VAL 25 HG22 VAL 25 4.418 -7.492 1.153
209 3HG2 VAL 25 HG23 VAL 25 4.606 -5.740 1.082
210 H CYS 26 HN CYS 26 9.078 -4.449 3.271
211 HA CYS 26 HA CYS 26 11.033 -4.201 1.301
212 1HB CYS 26 HB2 CYS 26 11.234 -4.529 4.307
213 2HB CYS 26 HB1 CYS 26 12.601 -4.040 3.313
214 H TYR 27 HN TYR 27 10.297 -7.050 3.223
215 HA TYR 27 HA TYR 27 12.736 -8.427 2.196
216 1HB TYR 27 HB2 TYR 27 10.798 -9.533 4.221
217 2HB TYR 27 HB1 TYR 27 12.523 -9.843 4.069
218 HD1 TYR 27 HD1 TYR 27 10.061 -8.041 5.859
219 HD2 TYR 27 HD2 TYR 27 14.083 -7.712 4.380
220 HE1 TYR 27 HE1 TYR 27 10.522 -6.249 7.509
221 HE2 TYR 27 HE2 TYR 27 14.541 -5.919 6.032
222 HH TYR 27 HH TYR 27 13.473 -5.296 8.415
223 H GLY 28 HN GLY 28 12.463 -9.798 0.495
224 1HA GLY 28 HA2 GLY 28 11.273 -11.803 -0.368
225 2HA GLY 28 HA1 GLY 28 9.762 -11.012 0.073
226 H ILE 29 HN ILE 29 10.745 -8.367 -0.953
227 HA ILE 29 HA ILE 29 9.969 -8.799 -3.753
228 HB ILE 29 HB ILE 29 9.870 -6.356 -3.815
229 1HG1 ILE 29 HG12 ILE 29 11.080 -6.417 -1.031
230 2HG1 ILE 29 HG11 ILE 29 11.966 -5.978 -2.492
231 1HG2 ILE 29 HG21 ILE 29 8.014 -7.569 -2.732
232 2HG2 ILE 29 HG22 ILE 29 8.257 -5.983 -2.001
233 3HG2 ILE 29 HG23 ILE 29 8.835 -7.432 -1.178
234 1HD1 ILE 29 HD11 ILE 29 10.093 -4.240 -2.877
235 2HD1 ILE 29 HD12 ILE 29 11.264 -3.901 -1.603
236 3HD1 ILE 29 HD13 ILE 29 9.666 -4.521 -1.189
237 HA PRO 30 HA PRO 30 13.967 -8.603 -5.504
238 1HB PRO 30 HB2 PRO 30 13.476 -7.242 -7.834
239 2HB PRO 30 HB1 PRO 30 13.007 -8.932 -7.562
240 1HG PRO 30 HG2 PRO 30 11.355 -6.484 -7.528
241 2HG PRO 30 HG1 PRO 30 10.923 -8.132 -7.987
242 1HD PRO 30 HD2 PRO 30 10.267 -6.921 -5.579
243 2HD PRO 30 HD1 PRO 30 10.274 -8.668 -5.877
244 H SER 31 HN SER 31 15.773 -7.205 -5.907
245 HA SER 31 HA SER 31 15.968 -4.876 -4.301
246 1HB SER 31 HB2 SER 31 17.709 -6.503 -5.434
247 2HB SER 31 HB1 SER 31 17.684 -5.308 -6.728
248 HG SER 31 HG SER 31 19.196 -5.101 -4.777
249 H SER 32 HN SER 32 15.305 -5.176 -7.803
250 HA SER 32 HA SER 32 15.469 -2.388 -8.436
251 1HB SER 32 HB2 SER 32 15.316 -4.510 -9.933
252 2HB SER 32 HB1 SER 32 13.574 -4.364 -9.718
253 HG SER 32 HG SER 32 15.393 -2.597 -10.958
254 H THR 33 HN THR 33 12.680 -4.417 -7.466
255 HA THR 33 HA THR 33 10.752 -2.259 -7.517
256 HB THR 33 HB THR 33 10.860 -4.885 -5.992
257 HG1 THR 33 HG1 THR 33 9.549 -4.193 -8.416
258 1HG2 THR 33 HG21 THR 33 8.224 -4.406 -6.364
259 2HG2 THR 33 HG22 THR 33 8.806 -2.750 -6.198
260 3HG2 THR 33 HG23 THR 33 9.093 -3.918 -4.909
261 H ALA 34 HN ALA 34 12.807 -3.695 -4.990
262 HA ALA 34 HA ALA 34 11.854 -2.160 -2.775
263 1HB ALA 34 HB1 ALA 34 13.949 -2.904 -1.743
264 2HB ALA 34 HB2 ALA 34 14.636 -3.248 -3.330
265 3HB ALA 34 HB3 ALA 34 13.293 -4.216 -2.722
266 H ARG 35 HN ARG 35 14.445 -1.526 -5.159
267 HA ARG 35 HA ARG 35 15.444 0.893 -3.986
268 1HB ARG 35 HB2 ARG 35 15.382 -0.296 -6.764
269 2HB ARG 35 HB1 ARG 35 16.047 1.313 -6.502
270 1HG ARG 35 HG2 ARG 35 17.432 0.213 -4.604
271 2HG ARG 35 HG1 ARG 35 17.015 -1.313 -5.383
272 1HD ARG 35 HD2 ARG 35 19.177 -0.489 -6.245
273 2HD ARG 35 HD1 ARG 35 17.958 -0.427 -7.533
274 HE ARG 35 HE ARG 35 17.975 2.036 -6.011
275 1HH1 ARG 35 HH21 ARG 35 17.756 1.698 -9.036
276 2HH1 ARG 35 HH22 ARG 35 19.229 2.441 -9.563
277 1HH2 ARG 35 HH11 ARG 35 20.700 2.364 -6.414
278 2HH2 ARG 35 HH12 ARG 35 20.903 2.820 -8.072
279 H LEU 36 HN LEU 36 12.865 0.330 -6.395
280 HA LEU 36 HA LEU 36 12.185 3.083 -6.858
281 1HB LEU 36 HB2 LEU 36 11.567 0.905 -8.115
282 2HB LEU 36 HB1 LEU 36 10.293 0.721 -6.911
283 HG LEU 36 HG LEU 36 10.446 3.410 -8.124
284 1HD1 LEU 36 HD11 LEU 36 9.357 2.680 -10.226
285 2HD1 LEU 36 HD12 LEU 36 9.608 0.996 -9.764
286 3HD1 LEU 36 HD13 LEU 36 10.994 2.037 -10.093
287 1HD2 LEU 36 HD21 LEU 36 8.663 2.296 -6.559
288 2HD2 LEU 36 HD22 LEU 36 8.076 1.550 -8.045
289 3HD2 LEU 36 HD23 LEU 36 8.109 3.307 -7.894
290 H CYS 37 HN CYS 37 11.036 0.674 -4.508
291 HA CYS 37 HA CYS 37 8.913 2.192 -3.340
292 1HB CYS 37 HB2 CYS 37 10.562 -0.191 -2.763
293 2HB CYS 37 HB1 CYS 37 9.894 0.597 -1.338
294 H CYS 38 HN CYS 38 12.411 2.207 -2.780
295 HA CYS 38 HA CYS 38 12.227 3.851 -0.354
296 1HB CYS 38 HB2 CYS 38 14.014 2.240 -0.606
297 2HB CYS 38 HB1 CYS 38 14.467 2.908 -2.171
298 H PHE 39 HN PHE 39 13.026 4.311 -3.783
299 HA PHE 39 HA PHE 39 13.821 7.071 -3.603
300 1HB PHE 39 HB2 PHE 39 14.534 5.891 -5.497
301 2HB PHE 39 HB1 PHE 39 12.962 5.137 -5.740
302 HD1 PHE 39 HD1 PHE 39 14.439 8.596 -5.606
303 HD2 PHE 39 HD2 PHE 39 11.672 5.916 -7.508
304 HE1 PHE 39 HE1 PHE 39 13.829 10.373 -7.224
305 HE2 PHE 39 HE2 PHE 39 11.064 7.693 -9.125
306 HZ PHE 39 HZ PHE 39 12.141 9.922 -8.984
307 H ARG 40 HN ARG 40 10.675 5.508 -4.178
308 HA ARG 40 HA ARG 40 9.408 8.184 -4.497
309 1HB ARG 40 HB2 ARG 40 8.774 5.345 -5.188
310 2HB ARG 40 HB1 ARG 40 7.427 6.460 -4.971
311 1HG ARG 40 HG2 ARG 40 9.783 7.164 -6.720
312 2HG ARG 40 HG1 ARG 40 8.413 6.250 -7.348
313 1HD ARG 40 HD2 ARG 40 7.026 8.077 -7.327
314 2HD ARG 40 HD1 ARG 40 7.712 8.700 -5.813
315 HE ARG 40 HE ARG 40 9.721 9.403 -7.182
316 1HH1 ARG 40 HH11 ARG 40 8.686 7.896 -9.664
317 2HH1 ARG 40 HH12 ARG 40 8.139 9.220 -10.637
318 1HH2 ARG 40 HH21 ARG 40 8.156 11.495 -8.007
319 2HH2 ARG 40 HH22 ARG 40 7.837 11.268 -9.694
320 H TYR 41 HN TYR 41 8.636 5.151 -2.715
321 HA TYR 41 HA TYR 41 6.847 6.579 -0.903
322 1HB TYR 41 HB2 TYR 41 7.936 3.766 -1.069
323 2HB TYR 41 HB1 TYR 41 6.789 4.271 0.167
324 HD1 TYR 41 HD1 TYR 41 4.470 4.610 -0.343
325 HD2 TYR 41 HD2 TYR 41 7.301 3.853 -3.484
326 HE1 TYR 41 HE1 TYR 41 2.604 4.270 -1.941
327 HE2 TYR 41 HE2 TYR 41 5.437 3.517 -5.084
328 HH TYR 41 HH TYR 41 3.107 2.975 -5.110
329 H GLY 42 HN GLY 42 10.118 5.208 -0.673
330 1HA GLY 42 HA2 GLY 42 11.798 6.213 0.763
331 2HA GLY 42 HA1 GLY 42 10.513 6.799 1.810
332 H ASP 43 HN ASP 43 9.990 3.557 0.838
333 HA ASP 43 HA ASP 43 10.946 2.605 3.508
334 1HB ASP 43 HB2 ASP 43 8.948 1.269 1.672
335 2HB ASP 43 HB1 ASP 43 9.164 1.015 3.396
336 H CYS 44 HN CYS 44 11.909 0.454 3.582
337 HA CYS 44 HA CYS 44 13.396 -1.224 2.842
338 1HB CYS 44 HB2 CYS 44 12.274 -0.641 0.093
339 2HB CYS 44 HB1 CYS 44 12.941 -2.157 0.672
340 H CYS 45 HN CYS 45 14.380 1.419 3.082
341 HA CYS 45 HA CYS 45 15.983 2.057 0.695
342 1HB CYS 45 HB2 CYS 45 15.571 3.207 3.458
343 2HB CYS 45 HB1 CYS 45 16.811 3.842 2.382
344 H HIS 46 HN HIS 46 16.750 1.392 4.133
345 HA HIS 46 HA HIS 46 19.311 0.132 3.229
346 1HB HIS 46 HB2 HIS 46 19.388 2.423 4.364
347 2HB HIS 46 HB1 HIS 46 18.817 1.614 5.824
348 HD1 HIS 46 HD1 HIS 46 20.386 -0.575 6.521
349 HD2 HIS 46 HD2 HIS 46 22.137 2.343 4.111
350 HE1 HIS 46 HE1 HIS 46 22.890 -0.904 6.702
351 H LEU 47 HN LEU 47 18.968 -2.045 3.506
352 HA LEU 47 HA LEU 47 17.316 -3.062 5.735
353 1HB LEU 47 HB2 LEU 47 17.850 -3.825 3.128
354 2HB LEU 47 HB1 LEU 47 18.822 -4.960 4.064
355 HG LEU 47 HG LEU 47 16.085 -4.501 5.097
356 1HD1 LEU 47 HD11 LEU 47 15.273 -6.242 3.342
357 2HD1 LEU 47 HD12 LEU 47 16.639 -5.680 2.379
358 3HD1 LEU 47 HD13 LEU 47 15.371 -4.550 2.854
359 1HD2 LEU 47 HD21 LEU 47 17.862 -6.186 5.886
360 2HD2 LEU 47 HD22 LEU 47 17.498 -7.087 4.415
361 3HD2 LEU 47 HD23 LEU 47 16.239 -6.821 5.619
Start of MODEL 18
1 1H HIS 1 HT1 HIS 1 -22.825 -18.274 -0.174
2 2H HIS 1 HT2 HIS 1 -22.018 -16.802 -0.441
3 3H HIS 1 HT3 HIS 1 -21.365 -18.252 -1.036
4 HA HIS 1 HA HIS 1 -23.011 -18.471 -2.686
5 1HB HIS 1 HB2 HIS 1 -25.080 -17.235 -2.575
6 2HB HIS 1 HB1 HIS 1 -24.778 -17.864 -0.958
7 HD1 HIS 1 HD1 HIS 1 -25.110 -14.705 -2.877
8 HD2 HIS 1 HD2 HIS 1 -23.863 -15.848 0.934
9 HE1 HIS 1 HE1 HIS 1 -25.005 -12.588 -1.492
10 H SER 2 HN SER 2 -23.392 -16.964 -4.582
11 HA SER 2 HA SER 2 -22.642 -15.304 -6.085
12 1HB SER 2 HB2 SER 2 -23.363 -14.027 -3.858
13 2HB SER 2 HB1 SER 2 -21.637 -13.691 -3.768
14 HG SER 2 HG SER 2 -22.617 -12.081 -4.968
15 H SER 3 HN SER 3 -20.534 -13.942 -6.557
16 HA SER 3 HA SER 3 -18.061 -15.100 -5.429
17 1HB SER 3 HB2 SER 3 -19.372 -16.068 -7.828
18 2HB SER 3 HB1 SER 3 -17.781 -15.423 -8.221
19 HG SER 3 HG SER 3 -17.848 -17.681 -7.545
20 H GLY 4 HN GLY 4 -16.526 -13.494 -5.428
21 1HA GLY 4 HA2 GLY 4 -15.315 -11.851 -6.961
22 2HA GLY 4 HA1 GLY 4 -16.915 -11.197 -7.298
23 H TYR 5 HN TYR 5 -15.307 -9.327 -6.396
24 HA TYR 5 HA TYR 5 -16.175 -8.900 -3.576
25 1HB TYR 5 HB2 TYR 5 -13.811 -7.979 -3.181
26 2HB TYR 5 HB1 TYR 5 -13.947 -9.727 -3.333
27 HD1 TYR 5 HD1 TYR 5 -12.754 -6.632 -4.922
28 HD2 TYR 5 HD2 TYR 5 -13.154 -10.888 -5.352
29 HE1 TYR 5 HE1 TYR 5 -11.144 -6.594 -6.806
30 HE2 TYR 5 HE2 TYR 5 -11.545 -10.848 -7.238
31 HH TYR 5 HH TYR 5 -10.841 -8.546 -9.002
32 H THR 6 HN THR 6 -17.054 -6.888 -3.350
33 HA THR 6 HA THR 6 -16.140 -4.664 -5.111
34 HB THR 6 HB THR 6 -19.030 -5.546 -4.776
35 HG1 THR 6 HG1 THR 6 -18.270 -6.981 -6.163
36 1HG2 THR 6 HG21 THR 6 -17.695 -3.393 -6.434
37 2HG2 THR 6 HG22 THR 6 -18.901 -3.173 -5.166
38 3HG2 THR 6 HG23 THR 6 -19.355 -3.931 -6.692
39 H ARG 7 HN ARG 7 -16.519 -2.588 -4.166
40 HA ARG 7 HA ARG 7 -17.873 -2.500 -1.518
41 1HB ARG 7 HB2 ARG 7 -14.990 -2.156 -2.165
42 2HB ARG 7 HB1 ARG 7 -15.671 -0.998 -1.022
43 1HG ARG 7 HG2 ARG 7 -16.549 -2.880 0.339
44 2HG ARG 7 HG1 ARG 7 -15.805 -4.019 -0.782
45 1HD ARG 7 HD2 ARG 7 -14.106 -1.879 0.489
46 2HD ARG 7 HD1 ARG 7 -14.490 -3.356 1.394
47 HE ARG 7 HE ARG 7 -13.705 -4.460 -0.924
48 1HH1 ARG 7 HH11 ARG 7 -12.454 -1.854 -1.763
49 2HH1 ARG 7 HH12 ARG 7 -10.824 -2.043 -1.208
50 1HH2 ARG 7 HH21 ARG 7 -11.582 -4.691 0.916
51 2HH2 ARG 7 HH22 ARG 7 -10.328 -3.660 0.316
52 HA PRO 8 HA PRO 8 -19.309 1.354 -3.100
53 1HB PRO 8 HB2 PRO 8 -19.897 2.646 -0.761
54 2HB PRO 8 HB1 PRO 8 -20.883 1.320 -1.407
55 1HG PRO 8 HG2 PRO 8 -18.858 1.287 0.769
56 2HG PRO 8 HG1 PRO 8 -20.388 0.407 0.635
57 1HD PRO 8 HD2 PRO 8 -17.932 -0.706 0.156
58 2HD PRO 8 HD1 PRO 8 -19.449 -1.298 -0.554
59 H LEU 9 HN LEU 9 -18.545 3.481 -3.485
60 HA LEU 9 HA LEU 9 -15.761 4.006 -2.730
61 1HB LEU 9 HB2 LEU 9 -16.922 4.397 -4.986
62 2HB LEU 9 HB1 LEU 9 -17.692 5.793 -4.232
63 HG LEU 9 HG LEU 9 -14.833 5.762 -3.695
64 1HD1 LEU 9 HD11 LEU 9 -15.686 5.900 -6.604
65 2HD1 LEU 9 HD12 LEU 9 -14.784 4.568 -5.880
66 3HD1 LEU 9 HD13 LEU 9 -14.059 6.173 -5.980
67 1HD2 LEU 9 HD21 LEU 9 -16.490 7.725 -5.305
68 2HD2 LEU 9 HD22 LEU 9 -15.009 8.053 -4.405
69 3HD2 LEU 9 HD23 LEU 9 -16.500 7.680 -3.541
70 H ARG 10 HN ARG 10 -15.869 4.416 -0.444
71 HA ARG 10 HA ARG 10 -16.663 7.156 0.275
72 1HB ARG 10 HB2 ARG 10 -18.465 4.994 0.561
73 2HB ARG 10 HB1 ARG 10 -17.867 5.338 2.184
74 1HG ARG 10 HG2 ARG 10 -18.747 7.481 2.208
75 2HG ARG 10 HG1 ARG 10 -18.664 7.649 0.454
76 1HD ARG 10 HD2 ARG 10 -20.545 5.640 1.706
77 2HD ARG 10 HD1 ARG 10 -21.021 7.339 1.515
78 HE ARG 10 HE ARG 10 -20.469 5.443 -0.692
79 1HH1 ARG 10 HH21 ARG 10 -22.899 7.263 -0.467
80 2HH1 ARG 10 HH22 ARG 10 -22.525 8.480 -1.641
81 1HH2 ARG 10 HH11 ARG 10 -19.158 7.612 -1.843
82 2HH2 ARG 10 HH12 ARG 10 -20.394 8.680 -2.424
83 H LYS 11 HN LYS 11 -16.018 7.627 2.567
84 HA LYS 11 HA LYS 11 -13.376 6.796 3.176
85 1HB LYS 11 HB2 LYS 11 -14.614 8.850 3.953
86 2HB LYS 11 HB1 LYS 11 -15.500 7.825 5.084
87 1HG LYS 11 HG2 LYS 11 -13.715 7.604 6.486
88 2HG LYS 11 HG1 LYS 11 -12.558 7.511 5.157
89 1HD LYS 11 HD2 LYS 11 -13.005 10.018 4.807
90 2HD LYS 11 HD1 LYS 11 -13.785 9.982 6.389
91 1HE LYS 11 HE2 LYS 11 -11.670 9.015 7.353
92 2HE LYS 11 HE1 LYS 11 -10.898 9.258 5.773
93 1HZ LYS 11 HZ1 LYS 11 -11.564 11.603 5.876
94 2HZ LYS 11 HZ2 LYS 11 -10.535 11.189 7.163
95 3HZ LYS 11 HZ3 LYS 11 -12.205 11.357 7.428
96 HA PRO 12 HA PRO 12 -14.531 2.779 4.840
97 1HB PRO 12 HB2 PRO 12 -11.977 1.800 4.950
98 2HB PRO 12 HB1 PRO 12 -12.922 1.867 3.451
99 1HG PRO 12 HG2 PRO 12 -10.741 3.640 4.394
100 2HG PRO 12 HG1 PRO 12 -11.140 3.111 2.754
101 1HD PRO 12 HD2 PRO 12 -11.755 5.586 3.804
102 2HD PRO 12 HD1 PRO 12 -12.579 4.835 2.422
103 H SER 13 HN SER 13 -12.758 1.505 6.647
104 HA SER 13 HA SER 13 -13.347 2.797 9.135
105 1HB SER 13 HB2 SER 13 -11.578 0.530 8.216
106 2HB SER 13 HB1 SER 13 -11.646 0.987 9.914
107 HG SER 13 HG SER 13 -13.182 -0.630 9.370
108 H ARG 14 HN ARG 14 -11.482 3.230 10.782
109 HA ARG 14 HA ARG 14 -9.959 5.486 10.031
110 1HB ARG 14 HB2 ARG 14 -9.920 3.468 12.255
111 2HB ARG 14 HB1 ARG 14 -8.624 4.661 12.169
112 1HG ARG 14 HG2 ARG 14 -10.494 6.419 11.940
113 2HG ARG 14 HG1 ARG 14 -11.589 5.144 12.477
114 1HD ARG 14 HD2 ARG 14 -9.772 4.850 14.402
115 2HD ARG 14 HD1 ARG 14 -9.425 6.546 14.007
116 HE ARG 14 HE ARG 14 -12.077 5.509 14.907
117 1HH1 ARG 14 HH21 ARG 14 -10.265 7.542 16.359
118 2HH1 ARG 14 HH22 ARG 14 -11.111 9.016 16.026
119 1HH2 ARG 14 HH11 ARG 14 -13.043 7.639 13.485
120 2HH2 ARG 14 HH12 ARG 14 -12.690 9.071 14.392
121 HA PRO 15 HA PRO 15 -6.348 3.972 8.044
122 1HB PRO 15 HB2 PRO 15 -4.371 5.518 9.142
123 2HB PRO 15 HB1 PRO 15 -5.556 6.137 7.973
124 1HG PRO 15 HG2 PRO 15 -5.506 6.404 10.940
125 2HG PRO 15 HG1 PRO 15 -5.955 7.594 9.707
126 1HD PRO 15 HD2 PRO 15 -7.781 6.209 11.161
127 2HD PRO 15 HD1 PRO 15 -8.091 6.779 9.507
128 H ILE 16 HN ILE 16 -4.391 2.725 8.363
129 HA ILE 16 HA ILE 16 -4.450 1.021 10.731
130 HB ILE 16 HB ILE 16 -2.628 -0.144 9.533
131 1HG1 ILE 16 HG12 ILE 16 -2.704 1.555 7.145
132 2HG1 ILE 16 HG11 ILE 16 -2.029 2.391 8.544
133 1HG2 ILE 16 HG21 ILE 16 -4.612 0.700 7.432
134 2HG2 ILE 16 HG22 ILE 16 -5.139 -0.223 8.840
135 3HG2 ILE 16 HG23 ILE 16 -3.937 -0.900 7.741
136 1HD1 ILE 16 HD11 ILE 16 -1.115 -0.407 8.032
137 2HD1 ILE 16 HD12 ILE 16 -0.226 0.959 8.707
138 3HD1 ILE 16 HD13 ILE 16 -0.506 0.862 6.969
139 H PHE 17 HN PHE 17 -1.908 0.461 11.367
140 HA PHE 17 HA PHE 17 -1.093 2.561 13.144
141 1HB PHE 17 HB2 PHE 17 0.030 -0.050 12.152
142 2HB PHE 17 HB1 PHE 17 1.009 0.983 13.190
143 HD1 PHE 17 HD1 PHE 17 -1.876 -1.244 13.014
144 HD2 PHE 17 HD2 PHE 17 0.215 1.588 15.477
145 HE1 PHE 17 HE1 PHE 17 -3.108 -2.063 15.003
146 HE2 PHE 17 HE2 PHE 17 -1.019 0.769 17.466
147 HZ PHE 17 HZ PHE 17 -2.680 -1.057 17.229
148 H ILE 18 HN ILE 18 1.482 3.039 13.048
149 HA ILE 18 HA ILE 18 1.934 5.029 11.110
150 HB ILE 18 HB ILE 18 3.610 3.378 12.975
151 1HG1 ILE 18 HG12 ILE 18 2.239 5.229 13.827
152 2HG1 ILE 18 HG11 ILE 18 3.952 5.588 14.012
153 1HG2 ILE 18 HG21 ILE 18 4.720 5.446 11.052
154 2HG2 ILE 18 HG22 ILE 18 5.098 3.723 11.049
155 3HG2 ILE 18 HG23 ILE 18 5.601 4.733 12.402
156 1HD1 ILE 18 HD11 ILE 18 3.092 7.589 13.128
157 2HD1 ILE 18 HD12 ILE 18 1.987 6.743 12.045
158 3HD1 ILE 18 HD13 ILE 18 3.716 6.767 11.699
159 H ARG 19 HN ARG 19 3.638 5.050 9.423
160 HA ARG 19 HA ARG 19 3.217 3.383 7.256
161 1HB ARG 19 HB2 ARG 19 4.428 5.422 7.052
162 2HB ARG 19 HB1 ARG 19 5.648 4.901 8.212
163 1HG ARG 19 HG2 ARG 19 5.496 2.988 6.066
164 2HG ARG 19 HG1 ARG 19 5.707 4.603 5.394
165 1HD ARG 19 HD2 ARG 19 7.404 3.787 7.738
166 2HD ARG 19 HD1 ARG 19 7.836 3.214 6.114
167 HE ARG 19 HE ARG 19 7.935 5.578 5.386
168 1HH1 ARG 19 HH11 ARG 19 6.281 6.892 7.448
169 2HH1 ARG 19 HH12 ARG 19 7.460 7.592 8.506
170 1HH2 ARG 19 HH21 ARG 19 10.073 5.636 7.312
171 2HH2 ARG 19 HH22 ARG 19 9.613 6.874 8.433
172 HA PRO 20 HA PRO 20 4.993 -0.456 8.658
173 1HB PRO 20 HB2 PRO 20 4.429 -1.857 6.370
174 2HB PRO 20 HB1 PRO 20 3.220 -1.507 7.622
175 1HG PRO 20 HG2 PRO 20 3.661 -0.186 5.000
176 2HG PRO 20 HG1 PRO 20 2.152 -0.522 5.858
177 1HD PRO 20 HD2 PRO 20 3.364 1.939 5.785
178 2HD PRO 20 HD1 PRO 20 2.267 1.403 7.069
179 H ILE 21 HN ILE 21 6.728 -1.923 7.804
180 HA ILE 21 HA ILE 21 8.891 -0.372 6.591
181 HB ILE 21 HB ILE 21 8.685 -3.241 7.566
182 1HG1 ILE 21 HG12 ILE 21 10.183 -1.655 9.338
183 2HG1 ILE 21 HG11 ILE 21 8.775 -0.679 8.933
184 1HG2 ILE 21 HG21 ILE 21 11.198 -2.924 7.857
185 2HG2 ILE 21 HG22 ILE 21 11.044 -1.478 6.861
186 3HG2 ILE 21 HG23 ILE 21 10.639 -3.058 6.190
187 1HD1 ILE 21 HD11 ILE 21 8.820 -2.686 10.829
188 2HD1 ILE 21 HD12 ILE 21 8.129 -3.502 9.427
189 3HD1 ILE 21 HD13 ILE 21 7.366 -2.045 10.066
190 H GLY 22 HN GLY 22 10.220 -1.348 4.828
191 1HA GLY 22 HA2 GLY 22 10.405 -2.871 2.918
192 2HA GLY 22 HA1 GLY 22 8.649 -2.987 2.899
193 H CYS 23 HN CYS 23 7.623 -0.643 2.711
194 HA CYS 23 HA CYS 23 8.337 0.390 0.119
195 1HB CYS 23 HB2 CYS 23 6.459 1.032 2.347
196 2HB CYS 23 HB1 CYS 23 6.690 2.259 1.109
197 H ASP 24 HN ASP 24 9.186 1.394 3.395
198 HA ASP 24 HA ASP 24 10.351 3.938 2.480
199 1HB ASP 24 HB2 ASP 24 9.196 3.120 4.758
200 2HB ASP 24 HB1 ASP 24 10.868 2.766 5.176
201 H VAL 25 HN VAL 25 11.378 0.985 1.828
202 HA VAL 25 HA VAL 25 14.249 1.666 2.153
203 HB VAL 25 HB VAL 25 13.030 -1.069 2.687
204 1HG1 VAL 25 HG11 VAL 25 15.379 -1.120 3.952
205 2HG1 VAL 25 HG12 VAL 25 15.780 0.106 2.749
206 3HG1 VAL 25 HG13 VAL 25 15.256 -1.497 2.233
207 1HG2 VAL 25 HG21 VAL 25 13.665 -0.493 5.113
208 2HG2 VAL 25 HG22 VAL 25 12.228 0.302 4.470
209 3HG2 VAL 25 HG23 VAL 25 13.751 1.185 4.576
210 H CYS 26 HN CYS 26 13.323 2.234 -0.172
211 HA CYS 26 HA CYS 26 12.657 0.411 -2.168
212 1HB CYS 26 HB2 CYS 26 14.463 2.843 -2.186
213 2HB CYS 26 HB1 CYS 26 13.922 2.053 -3.661
214 H TYR 27 HN TYR 27 15.769 0.754 -0.575
215 HA TYR 27 HA TYR 27 17.045 -1.043 -2.585
216 1HB TYR 27 HB2 TYR 27 18.295 0.493 -0.290
217 2HB TYR 27 HB1 TYR 27 19.124 -0.208 -1.676
218 HD1 TYR 27 HD1 TYR 27 17.647 2.743 -0.357
219 HD2 TYR 27 HD2 TYR 27 18.336 0.639 -4.039
220 HE1 TYR 27 HE1 TYR 27 17.309 4.847 -1.624
221 HE2 TYR 27 HE2 TYR 27 17.998 2.744 -5.305
222 HH TYR 27 HH TYR 27 16.561 5.080 -4.628
223 H GLY 28 HN GLY 28 17.371 -3.153 -2.038
224 1HA GLY 28 HA2 GLY 28 18.223 -4.789 -0.390
225 2HA GLY 28 HA1 GLY 28 17.358 -3.895 0.857
226 H ILE 29 HN ILE 29 14.961 -3.584 -0.943
227 HA ILE 29 HA ILE 29 13.739 -6.179 -0.284
228 HB ILE 29 HB ILE 29 11.653 -5.025 -0.798
229 1HG1 ILE 29 HG12 ILE 29 13.371 -2.722 -1.782
230 2HG1 ILE 29 HG11 ILE 29 12.500 -3.838 -2.835
231 1HG2 ILE 29 HG21 ILE 29 12.783 -4.537 1.363
232 2HG2 ILE 29 HG22 ILE 29 11.796 -3.190 0.798
233 3HG2 ILE 29 HG23 ILE 29 13.550 -3.134 0.619
234 1HD1 ILE 29 HD11 ILE 29 11.387 -1.781 -0.939
235 2HD1 ILE 29 HD12 ILE 29 10.414 -3.173 -1.412
236 3HD1 ILE 29 HD13 ILE 29 10.996 -2.047 -2.637
237 HA PRO 30 HA PRO 30 13.776 -7.818 -4.337
238 1HB PRO 30 HB2 PRO 30 11.383 -9.153 -4.403
239 2HB PRO 30 HB1 PRO 30 12.800 -9.718 -3.497
240 1HG PRO 30 HG2 PRO 30 10.341 -8.400 -2.528
241 2HG PRO 30 HG1 PRO 30 11.379 -9.582 -1.728
242 1HD PRO 30 HD2 PRO 30 11.361 -6.856 -1.211
243 2HD PRO 30 HD1 PRO 30 12.674 -7.970 -0.788
244 H SER 31 HN SER 31 12.883 -7.573 -6.466
245 HA SER 31 HA SER 31 11.753 -5.049 -7.096
246 1HB SER 31 HB2 SER 31 13.035 -6.843 -8.496
247 2HB SER 31 HB1 SER 31 11.433 -7.498 -8.821
248 HG SER 31 HG SER 31 11.911 -5.996 -10.401
249 H SER 32 HN SER 32 10.155 -8.232 -6.721
250 HA SER 32 HA SER 32 7.555 -7.452 -7.608
251 1HB SER 32 HB2 SER 32 8.621 -9.766 -6.970
252 2HB SER 32 HB1 SER 32 8.036 -9.392 -5.351
253 HG SER 32 HG SER 32 6.576 -10.577 -6.842
254 H THR 33 HN THR 33 9.014 -7.379 -4.338
255 HA THR 33 HA THR 33 6.679 -6.267 -3.032
256 HB THR 33 HB THR 33 9.645 -6.198 -2.371
257 HG1 THR 33 HG1 THR 33 7.651 -7.857 -1.253
258 1HG2 THR 33 HG21 THR 33 7.221 -5.248 -0.918
259 2HG2 THR 33 HG22 THR 33 8.872 -4.628 -0.879
260 3HG2 THR 33 HG23 THR 33 8.454 -6.079 0.031
261 H ALA 34 HN ALA 34 9.623 -4.885 -4.480
262 HA ALA 34 HA ALA 34 9.140 -2.145 -3.822
263 1HB ALA 34 HB1 ALA 34 10.563 -2.024 -6.126
264 2HB ALA 34 HB2 ALA 34 10.785 -3.730 -5.735
265 3HB ALA 34 HB3 ALA 34 11.288 -2.489 -4.587
266 H ARG 35 HN ARG 35 8.085 -4.143 -6.583
267 HA ARG 35 HA ARG 35 6.934 -2.029 -8.155
268 1HB ARG 35 HB2 ARG 35 7.454 -4.393 -8.873
269 2HB ARG 35 HB1 ARG 35 6.077 -4.937 -7.916
270 1HG ARG 35 HG2 ARG 35 4.675 -4.429 -9.600
271 2HG ARG 35 HG1 ARG 35 5.235 -2.756 -9.588
272 1HD ARG 35 HD2 ARG 35 6.394 -3.082 -11.508
273 2HD ARG 35 HD1 ARG 35 7.232 -4.482 -10.811
274 HE ARG 35 HE ARG 35 5.118 -5.801 -11.365
275 1HH1 ARG 35 HH21 ARG 35 3.392 -3.590 -12.296
276 2HH1 ARG 35 HH22 ARG 35 3.595 -3.634 -14.015
277 1HH2 ARG 35 HH11 ARG 35 6.488 -5.557 -13.886
278 2HH2 ARG 35 HH12 ARG 35 5.355 -4.753 -14.919
279 H LEU 36 HN LEU 36 5.541 -4.204 -5.683
280 HA LEU 36 HA LEU 36 2.857 -3.174 -5.777
281 1HB LEU 36 HB2 LEU 36 4.259 -5.201 -4.511
282 2HB LEU 36 HB1 LEU 36 3.865 -4.124 -3.174
283 HG LEU 36 HG LEU 36 2.092 -5.804 -3.499
284 1HD1 LEU 36 HD11 LEU 36 0.229 -4.303 -3.467
285 2HD1 LEU 36 HD12 LEU 36 1.086 -3.112 -4.445
286 3HD1 LEU 36 HD13 LEU 36 1.589 -3.413 -2.781
287 1HD2 LEU 36 HD21 LEU 36 0.878 -6.024 -5.528
288 2HD2 LEU 36 HD22 LEU 36 2.566 -5.940 -6.032
289 3HD2 LEU 36 HD23 LEU 36 1.530 -4.520 -6.177
290 H CYS 37 HN CYS 37 5.730 -2.260 -3.891
291 HA CYS 37 HA CYS 37 4.521 -0.365 -2.124
292 1HB CYS 37 HB2 CYS 37 7.200 -1.108 -3.142
293 2HB CYS 37 HB1 CYS 37 7.062 0.551 -2.571
294 H CYS 38 HN CYS 38 5.662 -0.079 -5.475
295 HA CYS 38 HA CYS 38 5.399 2.838 -5.550
296 1HB CYS 38 HB2 CYS 38 7.051 1.704 -6.911
297 2HB CYS 38 HB1 CYS 38 5.825 0.651 -7.610
298 H PHE 39 HN PHE 39 3.514 0.025 -6.617
299 HA PHE 39 HA PHE 39 1.484 1.463 -8.060
300 1HB PHE 39 HB2 PHE 39 1.761 -0.843 -8.502
301 2HB PHE 39 HB1 PHE 39 1.775 -1.259 -6.790
302 HD1 PHE 39 HD1 PHE 39 -0.406 -0.023 -9.548
303 HD2 PHE 39 HD2 PHE 39 -0.237 -1.774 -5.629
304 HE1 PHE 39 HE1 PHE 39 -2.849 -0.436 -9.629
305 HE2 PHE 39 HE2 PHE 39 -2.680 -2.188 -5.710
306 HZ PHE 39 HZ PHE 39 -3.987 -1.518 -7.709
307 H ARG 40 HN ARG 40 1.730 0.411 -4.664
308 HA ARG 40 HA ARG 40 -0.946 1.569 -4.097
309 1HB ARG 40 HB2 ARG 40 0.890 -0.442 -2.935
310 2HB ARG 40 HB1 ARG 40 -0.050 0.483 -1.769
311 1HG ARG 40 HG2 ARG 40 -1.570 -0.488 -4.114
312 2HG ARG 40 HG1 ARG 40 -0.981 -1.745 -3.028
313 1HD ARG 40 HD2 ARG 40 -2.944 -1.255 -1.913
314 2HD ARG 40 HD1 ARG 40 -1.940 0.023 -1.199
315 HE ARG 40 HE ARG 40 -2.795 1.226 -3.496
316 1HH1 ARG 40 HH21 ARG 40 -5.107 -0.685 -3.546
317 2HH1 ARG 40 HH22 ARG 40 -6.310 0.176 -2.646
318 1HH2 ARG 40 HH11 ARG 40 -4.031 2.408 -1.256
319 2HH2 ARG 40 HH12 ARG 40 -5.696 1.940 -1.340
320 H TYR 41 HN TYR 41 2.264 1.676 -2.471
321 HA TYR 41 HA TYR 41 1.560 4.104 -1.026
322 1HB TYR 41 HB2 TYR 41 4.058 2.460 -1.411
323 2HB TYR 41 HB1 TYR 41 4.047 3.921 -0.427
324 HD1 TYR 41 HD1 TYR 41 2.951 3.982 1.726
325 HD2 TYR 41 HD2 TYR 41 2.697 0.494 -0.769
326 HE1 TYR 41 HE1 TYR 41 2.037 2.685 3.634
327 HE2 TYR 41 HE2 TYR 41 1.778 -0.801 1.136
328 HH TYR 41 HH TYR 41 0.408 -0.016 3.403
329 H GLY 42 HN GLY 42 3.620 3.364 -3.829
330 1HA GLY 42 HA2 GLY 42 3.881 4.957 -5.647
331 2HA GLY 42 HA1 GLY 42 3.591 6.263 -4.506
332 H ASP 43 HN ASP 43 5.699 3.878 -3.231
333 HA ASP 43 HA ASP 43 8.035 5.671 -3.755
334 1HB ASP 43 HB2 ASP 43 7.774 3.536 -1.628
335 2HB ASP 43 HB1 ASP 43 8.886 4.893 -1.658
336 H CYS 44 HN CYS 44 10.110 4.623 -4.158
337 HA CYS 44 HA CYS 44 11.521 3.071 -5.242
338 1HB CYS 44 HB2 CYS 44 9.410 1.032 -4.502
339 2HB CYS 44 HB1 CYS 44 11.126 0.752 -4.732
340 H CYS 45 HN CYS 45 9.590 4.511 -6.795
341 HA CYS 45 HA CYS 45 8.322 2.648 -8.682
342 1HB CYS 45 HB2 CYS 45 8.586 5.642 -8.367
343 2HB CYS 45 HB1 CYS 45 7.830 4.936 -9.792
344 H HIS 46 HN HIS 46 10.700 5.303 -9.037
345 HA HIS 46 HA HIS 46 11.630 4.238 -11.611
346 1HB HIS 46 HB2 HIS 46 12.182 6.621 -9.852
347 2HB HIS 46 HB1 HIS 46 13.262 6.260 -11.199
348 HD1 HIS 46 HD1 HIS 46 12.126 6.179 -13.623
349 HD2 HIS 46 HD2 HIS 46 9.749 7.783 -10.597
350 HE1 HIS 46 HE1 HIS 46 10.228 7.400 -14.773
351 H LEU 47 HN LEU 47 12.535 2.182 -10.946
352 HA LEU 47 HA LEU 47 15.017 2.368 -9.274
353 1HB LEU 47 HB2 LEU 47 12.704 0.637 -9.313
354 2HB LEU 47 HB1 LEU 47 14.161 -0.315 -9.597
355 HG LEU 47 HG LEU 47 14.302 1.737 -7.444
356 1HD1 LEU 47 HD11 LEU 47 13.337 -0.675 -6.267
357 2HD1 LEU 47 HD12 LEU 47 12.194 -0.202 -7.522
358 3HD1 LEU 47 HD13 LEU 47 12.596 0.924 -6.227
359 1HD2 LEU 47 HD21 LEU 47 16.092 0.013 -8.257
360 2HD2 LEU 47 HD22 LEU 47 15.145 -1.154 -7.335
361 3HD2 LEU 47 HD23 LEU 47 15.861 0.237 -6.523
Start of MODEL 19
1 1H HIS 1 HT1 HIS 1 25.379 4.941 6.316
2 2H HIS 1 HT2 HIS 1 26.124 3.489 5.840
3 3H HIS 1 HT3 HIS 1 24.432 3.633 5.801
4 HA HIS 1 HA HIS 1 24.617 5.351 4.065
5 1HB HIS 1 HB2 HIS 1 27.185 5.466 5.123
6 2HB HIS 1 HB1 HIS 1 27.436 4.692 3.558
7 HD1 HIS 1 HD1 HIS 1 27.236 7.947 5.007
8 HD2 HIS 1 HD2 HIS 1 25.894 6.290 1.424
9 HE1 HIS 1 HE1 HIS 1 26.809 9.886 3.436
10 H SER 2 HN SER 2 24.402 4.588 1.897
11 HA SER 2 HA SER 2 24.383 1.664 1.589
12 1HB SER 2 HB2 SER 2 23.481 2.397 -0.712
13 2HB SER 2 HB1 SER 2 22.530 2.874 0.690
14 HG SER 2 HG SER 2 24.321 4.424 -0.866
15 H SER 3 HN SER 3 26.880 1.765 1.930
16 HA SER 3 HA SER 3 28.532 2.719 -0.273
17 1HB SER 3 HB2 SER 3 29.040 0.819 2.041
18 2HB SER 3 HB1 SER 3 30.295 1.505 1.013
19 HG SER 3 HG SER 3 30.229 3.046 2.460
20 H GLY 4 HN GLY 4 29.001 1.623 -2.143
21 1HA GLY 4 HA2 GLY 4 29.637 -0.428 -3.316
22 2HA GLY 4 HA1 GLY 4 28.600 -1.328 -2.210
23 H TYR 5 HN TYR 5 26.241 0.076 -2.284
24 HA TYR 5 HA TYR 5 25.457 0.579 -5.083
25 1HB TYR 5 HB2 TYR 5 25.431 -1.854 -4.961
26 2HB TYR 5 HB1 TYR 5 24.500 -1.805 -3.464
27 HD1 TYR 5 HD1 TYR 5 24.355 -0.621 -7.021
28 HD2 TYR 5 HD2 TYR 5 22.163 -1.915 -3.560
29 HE1 TYR 5 HE1 TYR 5 22.249 -0.547 -8.326
30 HE2 TYR 5 HE2 TYR 5 20.058 -1.842 -4.867
31 HH TYR 5 HH TYR 5 19.727 -2.004 -7.827
32 H THR 6 HN THR 6 23.757 2.021 -5.108
33 HA THR 6 HA THR 6 22.511 2.754 -2.507
34 HB THR 6 HB THR 6 22.300 4.104 -5.217
35 HG1 THR 6 HG1 THR 6 24.310 4.588 -4.954
36 1HG2 THR 6 HG21 THR 6 20.674 4.840 -3.534
37 2HG2 THR 6 HG22 THR 6 21.867 6.105 -3.824
38 3HG2 THR 6 HG23 THR 6 21.976 5.106 -2.375
39 H ARG 7 HN ARG 7 20.736 1.440 -2.125
40 HA ARG 7 HA ARG 7 19.106 0.201 -4.115
41 1HB ARG 7 HB2 ARG 7 17.540 -0.106 -2.154
42 2HB ARG 7 HB1 ARG 7 19.198 -0.607 -1.835
43 1HG ARG 7 HG2 ARG 7 19.190 0.761 -0.045
44 2HG ARG 7 HG1 ARG 7 19.105 2.126 -1.157
45 1HD ARG 7 HD2 ARG 7 16.548 1.695 -1.197
46 2HD ARG 7 HD1 ARG 7 16.834 0.722 0.259
47 HE ARG 7 HE ARG 7 17.208 2.736 1.429
48 1HH1 ARG 7 HH21 ARG 7 15.744 4.299 -0.656
49 2HH1 ARG 7 HH22 ARG 7 16.914 5.487 -1.122
50 1HH2 ARG 7 HH11 ARG 7 19.598 3.777 0.275
51 2HH2 ARG 7 HH12 ARG 7 19.102 5.196 -0.585
52 HA PRO 8 HA PRO 8 16.953 3.966 -5.278
53 1HB PRO 8 HB2 PRO 8 15.692 2.894 -7.450
54 2HB PRO 8 HB1 PRO 8 17.392 3.400 -7.474
55 1HG PRO 8 HG2 PRO 8 16.232 0.679 -7.276
56 2HG PRO 8 HG1 PRO 8 17.713 1.223 -8.075
57 1HD PRO 8 HD2 PRO 8 17.615 -0.049 -5.627
58 2HD PRO 8 HD1 PRO 8 18.962 0.958 -6.198
59 H LEU 9 HN LEU 9 14.603 4.473 -5.703
60 HA LEU 9 HA LEU 9 12.315 4.371 -5.162
61 1HB LEU 9 HB2 LEU 9 12.846 2.034 -6.248
62 2HB LEU 9 HB1 LEU 9 12.662 1.437 -4.603
63 HG LEU 9 HG LEU 9 10.539 1.333 -5.920
64 1HD1 LEU 9 HD11 LEU 9 10.722 1.759 -3.362
65 2HD1 LEU 9 HD12 LEU 9 9.167 2.035 -4.147
66 3HD1 LEU 9 HD13 LEU 9 10.210 3.401 -3.754
67 1HD2 LEU 9 HD21 LEU 9 11.192 3.597 -7.092
68 2HD2 LEU 9 HD22 LEU 9 10.374 4.329 -5.711
69 3HD2 LEU 9 HD23 LEU 9 9.494 3.237 -6.781
70 H ARG 10 HN ARG 10 11.849 5.349 -3.240
71 HA ARG 10 HA ARG 10 13.033 4.696 -0.705
72 1HB ARG 10 HB2 ARG 10 11.921 6.859 -1.520
73 2HB ARG 10 HB1 ARG 10 10.376 6.067 -1.213
74 1HG ARG 10 HG2 ARG 10 10.534 6.614 0.960
75 2HG ARG 10 HG1 ARG 10 12.012 5.660 1.085
76 1HD ARG 10 HD2 ARG 10 12.875 7.973 -0.197
77 2HD ARG 10 HD1 ARG 10 11.699 8.572 0.990
78 HE ARG 10 HE ARG 10 13.005 7.543 2.756
79 1HH1 ARG 10 HH21 ARG 10 14.920 8.707 0.423
80 2HH1 ARG 10 HH22 ARG 10 16.223 7.581 0.597
81 1HH2 ARG 10 HH11 ARG 10 14.426 5.413 2.635
82 2HH2 ARG 10 HH12 ARG 10 15.943 5.711 1.854
83 H LYS 11 HN LYS 11 12.713 2.618 0.077
84 HA LYS 11 HA LYS 11 11.579 0.792 1.041
85 1HB LYS 11 HB2 LYS 11 10.277 2.870 1.931
86 2HB LYS 11 HB1 LYS 11 9.049 2.413 0.752
87 1HG LYS 11 HG2 LYS 11 8.255 1.053 2.389
88 2HG LYS 11 HG1 LYS 11 9.603 0.000 1.959
89 1HD LYS 11 HD2 LYS 11 9.902 0.259 4.267
90 2HD LYS 11 HD1 LYS 11 10.969 1.502 3.614
91 1HE LYS 11 HE2 LYS 11 9.557 3.245 4.251
92 2HE LYS 11 HE1 LYS 11 8.107 2.223 4.202
93 1HZ LYS 11 HZ1 LYS 11 8.912 1.006 6.112
94 2HZ LYS 11 HZ2 LYS 11 8.840 2.661 6.491
95 3HZ LYS 11 HZ3 LYS 11 10.335 1.929 6.152
96 HA PRO 12 HA PRO 12 10.232 -0.405 -3.189
97 1HB PRO 12 HB2 PRO 12 11.705 -2.715 -3.275
98 2HB PRO 12 HB1 PRO 12 12.362 -1.128 -3.718
99 1HG PRO 12 HG2 PRO 12 12.703 -2.684 -1.214
100 2HG PRO 12 HG1 PRO 12 13.859 -1.655 -2.073
101 1HD PRO 12 HD2 PRO 12 12.490 -0.896 0.177
102 2HD PRO 12 HD1 PRO 12 13.140 0.238 -1.026
103 H SER 13 HN SER 13 9.789 -3.102 -3.663
104 HA SER 13 HA SER 13 7.325 -3.682 -2.464
105 1HB SER 13 HB2 SER 13 9.445 -5.184 -3.918
106 2HB SER 13 HB1 SER 13 8.207 -6.143 -3.110
107 HG SER 13 HG SER 13 7.676 -5.503 -5.289
108 H ARG 14 HN ARG 14 6.687 -4.593 -0.555
109 HA ARG 14 HA ARG 14 8.784 -5.348 1.418
110 1HB ARG 14 HB2 ARG 14 5.829 -4.691 1.667
111 2HB ARG 14 HB1 ARG 14 6.910 -4.999 3.025
112 1HG ARG 14 HG2 ARG 14 7.965 -2.969 2.826
113 2HG ARG 14 HG1 ARG 14 7.778 -2.924 1.072
114 1HD ARG 14 HD2 ARG 14 5.150 -2.815 1.961
115 2HD ARG 14 HD1 ARG 14 6.018 -1.823 3.148
116 HE ARG 14 HE ARG 14 6.735 -0.368 1.365
117 1HH1 ARG 14 HH11 ARG 14 3.859 -0.746 0.540
118 2HH1 ARG 14 HH12 ARG 14 4.022 -1.145 -1.138
119 1HH2 ARG 14 HH21 ARG 14 7.408 -1.880 -0.906
120 2HH2 ARG 14 HH22 ARG 14 6.037 -1.782 -1.961
121 HA PRO 15 HA PRO 15 7.553 -9.593 1.378
122 1HB PRO 15 HB2 PRO 15 7.797 -10.276 4.013
123 2HB PRO 15 HB1 PRO 15 9.195 -9.977 2.961
124 1HG PRO 15 HG2 PRO 15 7.956 -8.217 5.007
125 2HG PRO 15 HG1 PRO 15 9.659 -8.419 4.570
126 1HD PRO 15 HD2 PRO 15 8.093 -6.312 3.765
127 2HD PRO 15 HD1 PRO 15 9.543 -6.870 2.904
128 H ILE 16 HN ILE 16 5.979 -11.172 2.519
129 HA ILE 16 HA ILE 16 3.315 -10.174 2.441
130 HB ILE 16 HB ILE 16 2.740 -12.384 3.408
131 1HG1 ILE 16 HG12 ILE 16 5.733 -12.696 3.806
132 2HG1 ILE 16 HG11 ILE 16 4.578 -12.413 5.106
133 1HG2 ILE 16 HG21 ILE 16 5.083 -12.864 1.584
134 2HG2 ILE 16 HG22 ILE 16 3.667 -11.996 0.990
135 3HG2 ILE 16 HG23 ILE 16 3.502 -13.645 1.592
136 1HD1 ILE 16 HD11 ILE 16 4.933 -14.783 5.029
137 2HD1 ILE 16 HD12 ILE 16 4.742 -14.819 3.276
138 3HD1 ILE 16 HD13 ILE 16 3.349 -14.495 4.309
139 H PHE 17 HN PHE 17 1.803 -9.723 4.138
140 HA PHE 17 HA PHE 17 2.654 -9.685 6.942
141 1HB PHE 17 HB2 PHE 17 3.798 -7.717 6.033
142 2HB PHE 17 HB1 PHE 17 2.289 -7.135 5.331
143 HD1 PHE 17 HD1 PHE 17 3.953 -7.959 8.570
144 HD2 PHE 17 HD2 PHE 17 0.754 -5.860 6.616
145 HE1 PHE 17 HE1 PHE 17 3.397 -6.823 10.701
146 HE2 PHE 17 HE2 PHE 17 0.198 -4.724 8.748
147 HZ PHE 17 HZ PHE 17 1.519 -5.205 10.791
148 H ILE 18 HN ILE 18 0.889 -9.031 8.366
149 HA ILE 18 HA ILE 18 -1.759 -9.713 7.332
150 HB ILE 18 HB ILE 18 -2.386 -9.448 9.727
151 1HG1 ILE 18 HG12 ILE 18 0.463 -8.423 9.977
152 2HG1 ILE 18 HG11 ILE 18 -1.009 -7.518 10.304
153 1HG2 ILE 18 HG21 ILE 18 0.286 -10.843 9.637
154 2HG2 ILE 18 HG22 ILE 18 -1.094 -11.476 8.740
155 3HG2 ILE 18 HG23 ILE 18 -1.180 -11.320 10.494
156 1HD1 ILE 18 HD11 ILE 18 -1.552 -9.317 12.048
157 2HD1 ILE 18 HD12 ILE 18 -0.229 -8.219 12.440
158 3HD1 ILE 18 HD13 ILE 18 0.120 -9.848 11.861
159 H ARG 19 HN ARG 19 -1.532 -7.736 5.807
160 HA ARG 19 HA ARG 19 -1.612 -5.051 6.458
161 1HB ARG 19 HB2 ARG 19 -2.590 -4.764 4.332
162 2HB ARG 19 HB1 ARG 19 -1.810 -6.337 4.204
163 1HG ARG 19 HG2 ARG 19 -4.734 -5.969 4.935
164 2HG ARG 19 HG1 ARG 19 -4.167 -6.274 3.295
165 1HD ARG 19 HD2 ARG 19 -2.937 -8.332 4.376
166 2HD ARG 19 HD1 ARG 19 -4.130 -8.119 5.672
167 HE ARG 19 HE ARG 19 -5.903 -8.504 4.059
168 1HH1 ARG 19 HH11 ARG 19 -3.317 -10.343 3.441
169 2HH1 ARG 19 HH12 ARG 19 -3.509 -10.464 1.724
170 1HH2 ARG 19 HH21 ARG 19 -5.910 -7.955 1.549
171 2HH2 ARG 19 HH22 ARG 19 -4.979 -9.104 0.649
172 HA PRO 20 HA PRO 20 -5.182 -4.317 8.905
173 1HB PRO 20 HB2 PRO 20 -5.666 -1.704 8.231
174 2HB PRO 20 HB1 PRO 20 -4.338 -2.209 9.297
175 1HG PRO 20 HG2 PRO 20 -4.276 -1.474 6.416
176 2HG PRO 20 HG1 PRO 20 -3.105 -1.127 7.695
177 1HD PRO 20 HD2 PRO 20 -2.766 -3.099 5.845
178 2HD PRO 20 HD1 PRO 20 -2.067 -3.149 7.474
179 H ILE 21 HN ILE 21 -7.477 -3.486 8.693
180 HA ILE 21 HA ILE 21 -8.764 -4.659 6.363
181 HB ILE 21 HB ILE 21 -9.468 -3.495 9.019
182 1HG1 ILE 21 HG12 ILE 21 -9.024 -5.914 8.609
183 2HG1 ILE 21 HG11 ILE 21 -10.634 -5.608 9.247
184 1HG2 ILE 21 HG21 ILE 21 -11.059 -2.318 7.551
185 2HG2 ILE 21 HG22 ILE 21 -11.884 -3.540 8.518
186 3HG2 ILE 21 HG23 ILE 21 -11.529 -3.854 6.821
187 1HD1 ILE 21 HD11 ILE 21 -11.396 -6.836 7.504
188 2HD1 ILE 21 HD12 ILE 21 -9.844 -6.753 6.671
189 3HD1 ILE 21 HD13 ILE 21 -11.007 -5.439 6.502
190 H GLY 22 HN GLY 22 -10.519 -3.405 5.223
191 1HA GLY 22 HA2 GLY 22 -11.408 -1.256 4.456
192 2HA GLY 22 HA1 GLY 22 -9.862 -0.521 4.869
193 H CYS 23 HN CYS 23 -7.965 -1.798 3.670
194 HA CYS 23 HA CYS 23 -8.254 -1.275 0.859
195 1HB CYS 23 HB2 CYS 23 -6.250 -2.499 2.708
196 2HB CYS 23 HB1 CYS 23 -6.013 -2.739 0.982
197 H ASP 24 HN ASP 24 -8.599 -4.220 2.766
198 HA ASP 24 HA ASP 24 -8.738 -5.960 0.402
199 1HB ASP 24 HB2 ASP 24 -7.939 -6.322 2.916
200 2HB ASP 24 HB1 ASP 24 -9.631 -6.746 3.149
201 H VAL 25 HN VAL 25 -10.835 -3.686 1.292
202 HA VAL 25 HA VAL 25 -13.215 -5.293 0.544
203 HB VAL 25 HB VAL 25 -13.172 -3.219 2.764
204 1HG1 VAL 25 HG11 VAL 25 -15.264 -4.765 3.330
205 2HG1 VAL 25 HG12 VAL 25 -15.184 -5.105 1.601
206 3HG1 VAL 25 HG13 VAL 25 -15.394 -3.447 2.165
207 1HG2 VAL 25 HG21 VAL 25 -13.383 -5.287 4.272
208 2HG2 VAL 25 HG22 VAL 25 -11.783 -4.977 3.599
209 3HG2 VAL 25 HG23 VAL 25 -12.810 -6.224 2.892
210 H CYS 26 HN CYS 26 -12.202 -3.990 -1.433
211 HA CYS 26 HA CYS 26 -12.352 -1.241 -1.835
212 1HB CYS 26 HB2 CYS 26 -13.117 -3.568 -3.619
213 2HB CYS 26 HB1 CYS 26 -12.959 -1.922 -4.219
214 H TYR 27 HN TYR 27 -15.041 -3.481 -1.465
215 HA TYR 27 HA TYR 27 -16.995 -1.382 -2.267
216 1HB TYR 27 HB2 TYR 27 -17.284 -4.325 -1.593
217 2HB TYR 27 HB1 TYR 27 -18.584 -3.294 -2.178
218 HD1 TYR 27 HD1 TYR 27 -15.527 -5.107 -3.078
219 HD2 TYR 27 HD2 TYR 27 -18.558 -2.405 -4.483
220 HE1 TYR 27 HE1 TYR 27 -14.822 -5.532 -5.416
221 HE2 TYR 27 HE2 TYR 27 -17.852 -2.832 -6.820
222 HH TYR 27 HH TYR 27 -16.442 -5.150 -7.922
223 H GLY 28 HN GLY 28 -18.054 -0.250 -0.696
224 1HA GLY 28 HA2 GLY 28 -19.377 -0.271 1.384
225 2HA GLY 28 HA1 GLY 28 -18.222 -1.422 2.046
226 H ILE 29 HN ILE 29 -15.936 0.217 0.874
227 HA ILE 29 HA ILE 29 -15.717 2.060 3.162
228 HB ILE 29 HB ILE 29 -13.377 2.199 2.489
229 1HG1 ILE 29 HG12 ILE 29 -14.162 0.584 0.041
230 2HG1 ILE 29 HG11 ILE 29 -13.824 2.315 0.024
231 1HG2 ILE 29 HG21 ILE 29 -12.765 -0.136 2.689
232 2HG2 ILE 29 HG22 ILE 29 -14.356 -0.643 2.120
233 3HG2 ILE 29 HG23 ILE 29 -14.193 0.158 3.682
234 1HD1 ILE 29 HD11 ILE 29 -11.915 0.063 0.684
235 2HD1 ILE 29 HD12 ILE 29 -11.562 1.748 1.067
236 3HD1 ILE 29 HD13 ILE 29 -11.781 1.252 -0.611
237 HA PRO 30 HA PRO 30 -16.518 5.733 0.936
238 1HB PRO 30 HB2 PRO 30 -14.810 7.487 2.171
239 2HB PRO 30 HB1 PRO 30 -16.308 6.885 2.908
240 1HG PRO 30 HG2 PRO 30 -13.506 6.117 3.429
241 2HG PRO 30 HG1 PRO 30 -14.894 6.132 4.518
242 1HD PRO 30 HD2 PRO 30 -13.814 3.866 3.326
243 2HD PRO 30 HD1 PRO 30 -15.435 3.982 4.034
244 H SER 31 HN SER 31 -15.690 7.153 -0.683
245 HA SER 31 HA SER 31 -13.744 6.127 -2.458
246 1HB SER 31 HB2 SER 31 -15.599 7.822 -2.838
247 2HB SER 31 HB1 SER 31 -14.549 9.028 -2.104
248 HG SER 31 HG SER 31 -13.221 8.923 -3.792
249 H SER 32 HN SER 32 -13.393 8.654 0.050
250 HA SER 32 HA SER 32 -10.712 9.416 -0.570
251 1HB SER 32 HB2 SER 32 -12.559 10.375 1.050
252 2HB SER 32 HB1 SER 32 -11.786 9.329 2.239
253 HG SER 32 HG SER 32 -10.977 11.590 1.947
254 H THR 33 HN THR 33 -11.935 6.953 1.734
255 HA THR 33 HA THR 33 -9.312 6.093 2.600
256 HB THR 33 HB THR 33 -12.009 4.699 2.517
257 HG1 THR 33 HG1 THR 33 -10.709 5.976 4.688
258 1HG2 THR 33 HG21 THR 33 -10.654 2.906 2.994
259 2HG2 THR 33 HG22 THR 33 -10.768 3.580 4.620
260 3HG2 THR 33 HG23 THR 33 -9.354 3.919 3.621
261 H ALA 34 HN ALA 34 -11.572 4.990 0.077
262 HA ALA 34 HA ALA 34 -10.066 2.728 -0.817
263 1HB ALA 34 HB1 ALA 34 -11.988 4.600 -2.239
264 2HB ALA 34 HB2 ALA 34 -12.418 3.125 -1.373
265 3HB ALA 34 HB3 ALA 34 -11.481 3.031 -2.864
266 H ARG 35 HN ARG 35 -9.968 6.175 -1.731
267 HA ARG 35 HA ARG 35 -8.175 5.956 -3.954
268 1HB ARG 35 HB2 ARG 35 -9.530 7.952 -3.325
269 2HB ARG 35 HB1 ARG 35 -8.515 8.173 -1.901
270 1HG ARG 35 HG2 ARG 35 -6.945 9.241 -3.112
271 2HG ARG 35 HG1 ARG 35 -6.872 7.914 -4.272
272 1HD ARG 35 HD2 ARG 35 -8.832 8.825 -5.466
273 2HD ARG 35 HD1 ARG 35 -8.934 10.151 -4.292
274 HE ARG 35 HE ARG 35 -7.057 11.149 -5.331
275 1HH1 ARG 35 HH21 ARG 35 -8.023 9.210 -7.642
276 2HH1 ARG 35 HH22 ARG 35 -6.481 8.643 -8.188
277 1HH2 ARG 35 HH11 ARG 35 -4.765 9.827 -5.405
278 2HH2 ARG 35 HH12 ARG 35 -4.629 8.997 -6.920
279 H LEU 36 HN LEU 36 -7.569 6.499 -0.475
280 HA LEU 36 HA LEU 36 -4.703 6.650 -0.632
281 1HB LEU 36 HB2 LEU 36 -6.584 7.076 1.259
282 2HB LEU 36 HB1 LEU 36 -6.050 5.471 1.758
283 HG LEU 36 HG LEU 36 -4.022 7.611 1.148
284 1HD1 LEU 36 HD11 LEU 36 -5.272 8.786 2.748
285 2HD1 LEU 36 HD12 LEU 36 -4.091 7.931 3.740
286 3HD1 LEU 36 HD13 LEU 36 -5.739 7.317 3.605
287 1HD2 LEU 36 HD21 LEU 36 -4.149 4.975 2.550
288 2HD2 LEU 36 HD22 LEU 36 -3.035 6.182 3.194
289 3HD2 LEU 36 HD23 LEU 36 -2.878 5.640 1.523
290 H CYS 37 HN CYS 37 -6.955 3.931 -0.203
291 HA CYS 37 HA CYS 37 -5.075 1.859 0.363
292 1HB CYS 37 HB2 CYS 37 -7.862 2.175 -0.574
293 2HB CYS 37 HB1 CYS 37 -7.097 0.666 -1.057
294 H CYS 38 HN CYS 38 -6.153 3.280 -2.717
295 HA CYS 38 HA CYS 38 -4.757 1.301 -4.366
296 1HB CYS 38 HB2 CYS 38 -6.762 2.347 -5.181
297 2HB CYS 38 HB1 CYS 38 -6.135 3.957 -4.843
298 H PHE 39 HN PHE 39 -4.187 4.596 -3.206
299 HA PHE 39 HA PHE 39 -1.841 5.176 -4.749
300 1HB PHE 39 HB2 PHE 39 -2.978 6.988 -3.777
301 2HB PHE 39 HB1 PHE 39 -3.138 6.175 -2.223
302 HD1 PHE 39 HD1 PHE 39 -1.602 6.594 -0.499
303 HD2 PHE 39 HD2 PHE 39 -0.576 7.614 -4.543
304 HE1 PHE 39 HE1 PHE 39 0.459 7.714 0.306
305 HE2 PHE 39 HE2 PHE 39 1.485 8.733 -3.738
306 HZ PHE 39 HZ PHE 39 2.003 8.782 -1.314
307 H ARG 40 HN ARG 40 -2.251 3.719 -1.511
308 HA ARG 40 HA ARG 40 0.702 3.387 -1.309
309 1HB ARG 40 HB2 ARG 40 -1.591 3.698 0.501
310 2HB ARG 40 HB1 ARG 40 -0.437 2.478 1.033
311 1HG ARG 40 HG2 ARG 40 1.224 4.518 0.218
312 2HG ARG 40 HG1 ARG 40 -0.141 5.402 0.902
313 1HD ARG 40 HD2 ARG 40 0.243 4.611 3.041
314 2HD ARG 40 HD1 ARG 40 0.901 3.068 2.461
315 HE ARG 40 HE ARG 40 2.428 5.617 2.089
316 1HH1 ARG 40 HH21 ARG 40 2.661 4.017 4.715
317 2HH1 ARG 40 HH22 ARG 40 4.094 3.097 4.401
318 1HH2 ARG 40 HH11 ARG 40 4.059 3.708 0.979
319 2HH2 ARG 40 HH12 ARG 40 4.890 2.927 2.282
320 H TYR 41 HN TYR 41 -2.221 1.357 -0.747
321 HA TYR 41 HA TYR 41 -0.605 -1.079 -0.797
322 1HB TYR 41 HB2 TYR 41 -3.568 -0.503 -0.645
323 2HB TYR 41 HB1 TYR 41 -2.886 -2.122 -0.525
324 HD1 TYR 41 HD1 TYR 41 -1.764 -2.867 1.469
325 HD2 TYR 41 HD2 TYR 41 -3.031 1.220 1.080
326 HE1 TYR 41 HE1 TYR 41 -1.319 -2.498 3.882
327 HE2 TYR 41 HE2 TYR 41 -2.585 1.588 3.490
328 HH TYR 41 HH TYR 41 -2.499 0.052 5.598
329 H GLY 42 HN GLY 42 -2.855 0.540 -3.008
330 1HA GLY 42 HA2 GLY 42 -2.630 0.344 -5.409
331 2HA GLY 42 HA1 GLY 42 -1.849 -1.215 -5.184
332 H ASP 43 HN ASP 43 -4.620 -0.913 -3.201
333 HA ASP 43 HA ASP 43 -6.168 -2.602 -5.124
334 1HB ASP 43 HB2 ASP 43 -6.641 -2.310 -2.154
335 2HB ASP 43 HB1 ASP 43 -7.121 -3.634 -3.202
336 H CYS 44 HN CYS 44 -8.473 -2.223 -5.286
337 HA CYS 44 HA CYS 44 -10.396 -0.874 -5.511
338 1HB CYS 44 HB2 CYS 44 -9.214 0.755 -3.255
339 2HB CYS 44 HB1 CYS 44 -10.911 0.545 -3.644
340 H CYS 45 HN CYS 45 -8.171 -0.313 -7.177
341 HA CYS 45 HA CYS 45 -7.644 2.570 -7.223
342 1HB CYS 45 HB2 CYS 45 -6.994 0.163 -8.921
343 2HB CYS 45 HB1 CYS 45 -6.579 1.787 -9.461
344 H HIS 46 HN HIS 46 -9.287 0.294 -9.446
345 HA HIS 46 HA HIS 46 -10.492 2.456 -10.983
346 1HB HIS 46 HB2 HIS 46 -11.504 0.584 -12.224
347 2HB HIS 46 HB1 HIS 46 -9.798 0.264 -11.937
348 HD1 HIS 46 HD1 HIS 46 -9.194 -1.722 -10.430
349 HD2 HIS 46 HD2 HIS 46 -13.299 -1.035 -10.643
350 HE1 HIS 46 HE1 HIS 46 -10.312 -3.722 -9.352
351 H LEU 47 HN LEU 47 -13.111 1.355 -11.310
352 HA LEU 47 HA LEU 47 -15.271 1.577 -10.409
353 1HB LEU 47 HB2 LEU 47 -14.049 -0.355 -9.147
354 2HB LEU 47 HB1 LEU 47 -14.027 0.766 -7.788
355 HG LEU 47 HG LEU 47 -16.633 0.539 -9.171
356 1HD1 LEU 47 HD11 LEU 47 -17.188 -1.612 -8.115
357 2HD1 LEU 47 HD12 LEU 47 -15.534 -1.755 -7.518
358 3HD1 LEU 47 HD13 LEU 47 -15.854 -1.810 -9.252
359 1HD2 LEU 47 HD21 LEU 47 -15.585 0.657 -6.343
360 2HD2 LEU 47 HD22 LEU 47 -17.274 0.267 -6.667
361 3HD2 LEU 47 HD23 LEU 47 -16.613 1.817 -7.184
Start of MODEL 20
1 1H HIS 1 HT1 HIS 1 -35.409 -2.489 -10.033
2 2H HIS 1 HT2 HIS 1 -36.180 -2.839 -8.560
3 3H HIS 1 HT3 HIS 1 -36.539 -3.752 -9.947
4 HA HIS 1 HA HIS 1 -35.066 -4.978 -8.431
5 1HB HIS 1 HB2 HIS 1 -35.074 -5.357 -10.858
6 2HB HIS 1 HB1 HIS 1 -33.939 -4.027 -11.089
7 HD1 HIS 1 HD1 HIS 1 -34.077 -7.301 -9.114
8 HD2 HIS 1 HD2 HIS 1 -31.318 -4.879 -11.090
9 HE1 HIS 1 HE1 HIS 1 -31.850 -8.497 -8.982
10 H SER 2 HN SER 2 -33.521 -4.713 -6.874
11 HA SER 2 HA SER 2 -31.868 -3.669 -5.550
12 1HB SER 2 HB2 SER 2 -30.812 -3.167 -8.352
13 2HB SER 2 HB1 SER 2 -29.846 -3.146 -6.880
14 HG SER 2 HG SER 2 -30.065 -5.186 -8.252
15 H SER 3 HN SER 3 -33.720 -1.970 -5.214
16 HA SER 3 HA SER 3 -33.264 0.645 -6.496
17 1HB SER 3 HB2 SER 3 -35.133 1.221 -4.782
18 2HB SER 3 HB1 SER 3 -35.529 0.095 -6.076
19 HG SER 3 HG SER 3 -34.794 -0.511 -3.397
20 H GLY 4 HN GLY 4 -31.006 0.891 -5.691
21 1HA GLY 4 HA2 GLY 4 -29.633 2.205 -4.264
22 2HA GLY 4 HA1 GLY 4 -30.960 2.287 -3.108
23 H TYR 5 HN TYR 5 -31.258 0.539 -1.627
24 HA TYR 5 HA TYR 5 -30.599 -1.265 -0.254
25 1HB TYR 5 HB2 TYR 5 -30.249 -2.121 -2.769
26 2HB TYR 5 HB1 TYR 5 -28.559 -2.115 -2.269
27 HD1 TYR 5 HD1 TYR 5 -31.891 -3.577 -1.661
28 HD2 TYR 5 HD2 TYR 5 -27.746 -3.618 -0.533
29 HE1 TYR 5 HE1 TYR 5 -32.246 -5.703 -0.436
30 HE2 TYR 5 HE2 TYR 5 -28.101 -5.744 0.692
31 HH TYR 5 HH TYR 5 -30.231 -6.880 1.821
32 H THR 6 HN THR 6 -28.878 -1.803 1.210
33 HA THR 6 HA THR 6 -26.915 0.334 1.594
34 HB THR 6 HB THR 6 -27.381 -2.295 3.045
35 HG1 THR 6 HG1 THR 6 -28.382 0.321 3.510
36 1HG2 THR 6 HG21 THR 6 -26.317 -1.060 4.952
37 2HG2 THR 6 HG22 THR 6 -25.920 0.241 3.830
38 3HG2 THR 6 HG23 THR 6 -25.216 -1.361 3.608
39 H ARG 7 HN ARG 7 -24.800 0.262 0.947
40 HA ARG 7 HA ARG 7 -23.810 -1.911 -0.700
41 1HB ARG 7 HB2 ARG 7 -22.635 0.609 0.499
42 2HB ARG 7 HB1 ARG 7 -21.685 -0.472 -0.519
43 1HG ARG 7 HG2 ARG 7 -24.242 0.060 -1.763
44 2HG ARG 7 HG1 ARG 7 -23.431 1.578 -1.375
45 1HD ARG 7 HD2 ARG 7 -21.471 0.951 -2.631
46 2HD ARG 7 HD1 ARG 7 -22.058 -0.712 -2.823
47 HE ARG 7 HE ARG 7 -23.400 1.673 -4.051
48 1HH1 ARG 7 HH11 ARG 7 -25.096 -0.770 -3.812
49 2HH1 ARG 7 HH12 ARG 7 -24.810 -1.574 -5.318
50 1HH2 ARG 7 HH21 ARG 7 -21.940 0.250 -6.044
51 2HH2 ARG 7 HH22 ARG 7 -23.017 -0.992 -6.590
52 HA PRO 8 HA PRO 8 -22.026 -4.416 2.457
53 1HB PRO 8 HB2 PRO 8 -20.018 -5.614 1.031
54 2HB PRO 8 HB1 PRO 8 -21.731 -6.038 0.838
55 1HG PRO 8 HG2 PRO 8 -20.008 -4.302 -0.858
56 2HG PRO 8 HG1 PRO 8 -21.261 -5.459 -1.334
57 1HD PRO 8 HD2 PRO 8 -21.650 -2.763 -1.271
58 2HD PRO 8 HD1 PRO 8 -22.953 -3.948 -1.034
59 H LEU 9 HN LEU 9 -20.531 -4.038 4.049
60 HA LEU 9 HA LEU 9 -18.643 -3.221 5.184
61 1HB LEU 9 HB2 LEU 9 -17.620 -4.377 3.110
62 2HB LEU 9 HB1 LEU 9 -17.433 -2.750 2.459
63 HG LEU 9 HG LEU 9 -16.240 -2.156 4.637
64 1HD1 LEU 9 HD11 LEU 9 -16.850 -3.909 6.106
65 2HD1 LEU 9 HD12 LEU 9 -15.178 -4.274 5.683
66 3HD1 LEU 9 HD13 LEU 9 -16.496 -5.153 4.908
67 1HD2 LEU 9 HD21 LEU 9 -14.120 -3.356 3.900
68 2HD2 LEU 9 HD22 LEU 9 -14.941 -2.442 2.634
69 3HD2 LEU 9 HD23 LEU 9 -15.107 -4.197 2.704
70 H ARG 10 HN ARG 10 -18.076 -1.201 5.987
71 HA ARG 10 HA ARG 10 -19.520 1.130 5.191
72 1HB ARG 10 HB2 ARG 10 -17.073 0.572 6.877
73 2HB ARG 10 HB1 ARG 10 -17.667 2.218 6.663
74 1HG ARG 10 HG2 ARG 10 -19.761 0.254 7.351
75 2HG ARG 10 HG1 ARG 10 -18.550 0.497 8.609
76 1HD ARG 10 HD2 ARG 10 -18.984 3.080 7.958
77 2HD ARG 10 HD1 ARG 10 -20.575 2.410 7.545
78 HE ARG 10 HE ARG 10 -20.735 1.541 9.849
79 1HH1 ARG 10 HH21 ARG 10 -17.912 1.377 10.655
80 2HH1 ARG 10 HH22 ARG 10 -17.696 2.786 11.638
81 1HH2 ARG 10 HH11 ARG 10 -20.562 4.365 10.462
82 2HH2 ARG 10 HH12 ARG 10 -19.203 4.485 11.528
83 H LYS 11 HN LYS 11 -19.046 2.696 3.676
84 HA LYS 11 HA LYS 11 -17.955 3.839 1.945
85 1HB LYS 11 HB2 LYS 11 -15.473 2.728 3.295
86 2HB LYS 11 HB1 LYS 11 -15.566 4.137 2.246
87 1HG LYS 11 HG2 LYS 11 -17.350 4.965 4.005
88 2HG LYS 11 HG1 LYS 11 -16.524 3.824 5.068
89 1HD LYS 11 HD2 LYS 11 -14.364 4.925 4.558
90 2HD LYS 11 HD1 LYS 11 -15.209 6.085 3.531
91 1HE LYS 11 HE2 LYS 11 -16.589 6.758 5.536
92 2HE LYS 11 HE1 LYS 11 -15.544 5.724 6.530
93 1HZ LYS 11 HZ1 LYS 11 -13.616 6.933 5.689
94 2HZ LYS 11 HZ2 LYS 11 -14.694 7.990 6.467
95 3HZ LYS 11 HZ3 LYS 11 -14.625 7.942 4.771
96 HA PRO 12 HA PRO 12 -17.567 0.015 -0.508
97 1HB PRO 12 HB2 PRO 12 -19.000 0.952 -2.644
98 2HB PRO 12 HB1 PRO 12 -19.760 0.256 -1.201
99 1HG PRO 12 HG2 PRO 12 -19.458 3.097 -1.995
100 2HG PRO 12 HG1 PRO 12 -20.787 2.294 -1.146
101 1HD PRO 12 HD2 PRO 12 -18.861 3.846 0.065
102 2HD PRO 12 HD1 PRO 12 -19.833 2.610 0.892
103 H SER 13 HN SER 13 -17.330 0.369 -3.312
104 HA SER 13 HA SER 13 -15.816 0.991 -5.001
105 1HB SER 13 HB2 SER 13 -16.627 3.265 -4.020
106 2HB SER 13 HB1 SER 13 -15.045 3.321 -3.250
107 HG SER 13 HG SER 13 -14.436 4.083 -5.119
108 H ARG 14 HN ARG 14 -13.288 1.849 -5.068
109 HA ARG 14 HA ARG 14 -11.794 -0.248 -3.708
110 1HB ARG 14 HB2 ARG 14 -9.915 0.697 -5.005
111 2HB ARG 14 HB1 ARG 14 -11.343 0.506 -6.018
112 1HG ARG 14 HG2 ARG 14 -11.559 3.082 -4.879
113 2HG ARG 14 HG1 ARG 14 -9.876 2.919 -5.381
114 1HD ARG 14 HD2 ARG 14 -10.933 1.938 -7.597
115 2HD ARG 14 HD1 ARG 14 -12.366 2.839 -7.064
116 HE ARG 14 HE ARG 14 -10.013 4.483 -6.798
117 1HH1 ARG 14 HH21 ARG 14 -9.724 3.331 -9.580
118 2HH1 ARG 14 HH22 ARG 14 -10.579 4.497 -10.532
119 1HH2 ARG 14 HH11 ARG 14 -12.195 5.925 -7.804
120 2HH2 ARG 14 HH12 ARG 14 -11.983 5.974 -9.523
121 HA PRO 15 HA PRO 15 -10.765 2.182 -0.133
122 1HB PRO 15 HB2 PRO 15 -8.912 0.476 0.925
123 2HB PRO 15 HB1 PRO 15 -10.659 0.176 1.007
124 1HG PRO 15 HG2 PRO 15 -8.618 -1.009 -0.794
125 2HG PRO 15 HG1 PRO 15 -10.050 -1.750 -0.064
126 1HD PRO 15 HD2 PRO 15 -9.896 -0.903 -2.675
127 2HD PRO 15 HD1 PRO 15 -11.410 -1.084 -1.763
128 H ILE 16 HN ILE 16 -8.787 3.174 0.838
129 HA ILE 16 HA ILE 16 -7.024 4.270 -1.190
130 HB ILE 16 HB ILE 16 -6.036 5.439 0.773
131 1HG1 ILE 16 HG12 ILE 16 -8.022 4.172 2.605
132 2HG1 ILE 16 HG11 ILE 16 -6.590 3.224 2.205
133 1HG2 ILE 16 HG21 ILE 16 -8.019 6.669 1.389
134 2HG2 ILE 16 HG22 ILE 16 -9.056 5.306 0.970
135 3HG2 ILE 16 HG23 ILE 16 -8.195 6.180 -0.296
136 1HD1 ILE 16 HD11 ILE 16 -6.099 4.526 4.190
137 2HD1 ILE 16 HD12 ILE 16 -6.648 6.007 3.404
138 3HD1 ILE 16 HD13 ILE 16 -5.180 5.204 2.846
139 H PHE 17 HN PHE 17 -4.564 4.287 -0.741
140 HA PHE 17 HA PHE 17 -3.526 1.610 -0.933
141 1HB PHE 17 HB2 PHE 17 -2.338 4.372 -0.599
142 2HB PHE 17 HB1 PHE 17 -1.327 2.939 -0.758
143 HD1 PHE 17 HD1 PHE 17 -3.394 5.351 -2.499
144 HD2 PHE 17 HD2 PHE 17 -1.572 1.472 -2.814
145 HE1 PHE 17 HE1 PHE 17 -3.686 5.413 -4.960
146 HE2 PHE 17 HE2 PHE 17 -1.864 1.536 -5.276
147 HZ PHE 17 HZ PHE 17 -2.921 3.507 -6.348
148 H ILE 18 HN ILE 18 -2.152 0.506 0.577
149 HA ILE 18 HA ILE 18 -2.599 1.280 3.430
150 HB ILE 18 HB ILE 18 -2.255 -1.125 3.862
151 1HG1 ILE 18 HG12 ILE 18 -2.032 -1.485 0.863
152 2HG1 ILE 18 HG11 ILE 18 -0.615 -1.375 1.905
153 1HG2 ILE 18 HG21 ILE 18 -4.264 -1.947 2.782
154 2HG2 ILE 18 HG22 ILE 18 -4.143 -0.716 1.525
155 3HG2 ILE 18 HG23 ILE 18 -4.509 -0.248 3.186
156 1HD1 ILE 18 HD11 ILE 18 -1.378 -3.738 1.446
157 2HD1 ILE 18 HD12 ILE 18 -2.856 -3.369 2.333
158 3HD1 ILE 18 HD13 ILE 18 -1.298 -3.324 3.158
159 H ARG 19 HN ARG 19 -0.706 0.129 4.797
160 HA ARG 19 HA ARG 19 1.520 0.153 5.476
161 1HB ARG 19 HB2 ARG 19 2.865 -0.836 3.943
162 2HB ARG 19 HB1 ARG 19 1.425 -0.877 2.940
163 1HG ARG 19 HG2 ARG 19 2.502 0.378 1.423
164 2HG ARG 19 HG1 ARG 19 2.552 1.697 2.579
165 1HD ARG 19 HD2 ARG 19 4.835 1.363 2.068
166 2HD ARG 19 HD1 ARG 19 4.633 0.431 3.562
167 HE ARG 19 HE ARG 19 5.168 -1.459 2.259
168 1HH1 ARG 19 HH21 ARG 19 4.855 0.970 0.009
169 2HH1 ARG 19 HH22 ARG 19 4.247 -0.027 -1.269
170 1HH2 ARG 19 HH11 ARG 19 3.793 -2.811 0.760
171 2HH2 ARG 19 HH12 ARG 19 3.644 -2.174 -0.842
172 HA PRO 20 HA PRO 20 2.550 4.406 5.753
173 1HB PRO 20 HB2 PRO 20 5.129 4.200 6.659
174 2HB PRO 20 HB1 PRO 20 3.705 3.895 7.678
175 1HG PRO 20 HG2 PRO 20 5.516 1.966 6.322
176 2HG PRO 20 HG1 PRO 20 4.747 1.866 7.911
177 1HD PRO 20 HD2 PRO 20 3.837 0.525 5.727
178 2HD PRO 20 HD1 PRO 20 2.791 1.046 7.062
179 H ILE 21 HN ILE 21 4.439 5.936 5.121
180 HA ILE 21 HA ILE 21 4.941 5.663 2.276
181 HB ILE 21 HB ILE 21 5.314 7.635 4.483
182 1HG1 ILE 21 HG12 ILE 21 3.301 7.482 2.988
183 2HG1 ILE 21 HG11 ILE 21 4.086 9.056 2.976
184 1HG2 ILE 21 HG21 ILE 21 7.539 7.688 3.426
185 2HG2 ILE 21 HG22 ILE 21 6.633 9.153 3.051
186 3HG2 ILE 21 HG23 ILE 21 6.788 7.880 1.842
187 1HD1 ILE 21 HD11 ILE 21 3.485 7.516 0.734
188 2HD1 ILE 21 HD12 ILE 21 5.215 7.267 0.965
189 3HD1 ILE 21 HD13 ILE 21 4.576 8.900 0.776
190 H GLY 22 HN GLY 22 7.175 6.011 1.397
191 1HA GLY 22 HA2 GLY 22 9.602 5.794 1.666
192 2HA GLY 22 HA1 GLY 22 9.307 4.750 3.053
193 H CYS 23 HN CYS 23 7.812 2.790 2.389
194 HA CYS 23 HA CYS 23 9.286 1.198 0.472
195 1HB CYS 23 HB2 CYS 23 6.840 0.946 2.176
196 2HB CYS 23 HB1 CYS 23 7.118 -0.271 0.941
197 H ASP 24 HN ASP 24 6.363 3.144 0.261
198 HA ASP 24 HA ASP 24 5.497 2.011 -2.294
199 1HB ASP 24 HB2 ASP 24 4.385 3.451 -0.219
200 2HB ASP 24 HB1 ASP 24 4.517 4.665 -1.486
201 H VAL 25 HN VAL 25 8.198 3.729 -1.694
202 HA VAL 25 HA VAL 25 8.101 5.132 -4.310
203 HB VAL 25 HB VAL 25 9.335 6.268 -1.776
204 1HG1 VAL 25 HG11 VAL 25 8.855 7.239 -4.577
205 2HG1 VAL 25 HG12 VAL 25 10.297 7.396 -3.574
206 3HG1 VAL 25 HG13 VAL 25 8.887 8.405 -3.254
207 1HG2 VAL 25 HG21 VAL 25 7.024 6.241 -1.247
208 2HG2 VAL 25 HG22 VAL 25 6.551 6.585 -2.911
209 3HG2 VAL 25 HG23 VAL 25 7.284 7.849 -1.922
210 H CYS 26 HN CYS 26 9.198 2.825 -4.475
211 HA CYS 26 HA CYS 26 11.703 2.121 -3.478
212 1HB CYS 26 HB2 CYS 26 10.398 1.809 -6.186
213 2HB CYS 26 HB1 CYS 26 11.946 1.054 -5.825
214 H TYR 27 HN TYR 27 10.976 4.678 -5.775
215 HA TYR 27 HA TYR 27 13.879 5.041 -6.361
216 1HB TYR 27 HB2 TYR 27 11.545 6.490 -7.620
217 2HB TYR 27 HB1 TYR 27 13.148 6.224 -8.295
218 HD1 TYR 27 HD1 TYR 27 9.790 5.019 -8.135
219 HD2 TYR 27 HD2 TYR 27 13.851 3.748 -8.725
220 HE1 TYR 27 HE1 TYR 27 8.982 2.941 -9.217
221 HE2 TYR 27 HE2 TYR 27 13.042 1.669 -9.808
222 HH TYR 27 HH TYR 27 10.361 1.202 -11.114
223 H GLY 28 HN GLY 28 14.942 6.650 -5.296
224 1HA GLY 28 HA2 GLY 28 15.038 9.052 -4.715
225 2HA GLY 28 HA1 GLY 28 13.348 8.944 -4.232
226 H ILE 29 HN ILE 29 13.887 6.284 -2.878
227 HA ILE 29 HA ILE 29 14.691 7.421 -0.299
228 HB ILE 29 HB ILE 29 14.003 5.236 0.566
229 1HG1 ILE 29 HG12 ILE 29 13.713 4.397 -2.338
230 2HG1 ILE 29 HG11 ILE 29 15.025 3.886 -1.276
231 1HG2 ILE 29 HG21 ILE 29 12.243 6.856 0.005
232 2HG2 ILE 29 HG22 ILE 29 11.685 5.207 -0.271
233 3HG2 ILE 29 HG23 ILE 29 12.165 6.216 -1.636
234 1HD1 ILE 29 HD11 ILE 29 13.420 2.128 -1.175
235 2HD1 ILE 29 HD12 ILE 29 12.077 3.262 -1.021
236 3HD1 ILE 29 HD13 ILE 29 13.203 3.041 0.318
237 HA PRO 30 HA PRO 30 18.833 6.030 -0.248
238 1HB PRO 30 HB2 PRO 30 19.147 5.365 2.393
239 2HB PRO 30 HB1 PRO 30 19.068 7.037 1.800
240 1HG PRO 30 HG2 PRO 30 17.010 5.417 3.170
241 2HG PRO 30 HG1 PRO 30 17.296 7.158 3.222
242 1HD PRO 30 HD2 PRO 30 15.297 5.917 1.760
243 2HD PRO 30 HD1 PRO 30 15.917 7.551 1.461
244 H SER 31 HN SER 31 20.187 4.140 -0.114
245 HA SER 31 HA SER 31 19.000 1.670 -0.850
246 1HB SER 31 HB2 SER 31 21.423 2.664 -1.044
247 2HB SER 31 HB1 SER 31 21.679 1.869 0.506
248 HG SER 31 HG SER 31 21.840 0.768 -1.828
249 H SER 32 HN SER 32 20.107 2.804 2.355
250 HA SER 32 HA SER 32 19.802 0.321 3.743
251 1HB SER 32 HB2 SER 32 20.897 2.587 4.418
252 2HB SER 32 HB1 SER 32 19.276 3.049 4.931
253 HG SER 32 HG SER 32 20.595 2.052 6.587
254 H THR 33 HN THR 33 17.515 3.029 3.252
255 HA THR 33 HA THR 33 15.331 1.776 4.693
256 HB THR 33 HB THR 33 15.405 3.900 2.522
257 HG1 THR 33 HG1 THR 33 15.253 4.162 5.345
258 1HG2 THR 33 HG21 THR 33 13.217 2.736 4.149
259 2HG2 THR 33 HG22 THR 33 13.153 3.529 2.574
260 3HG2 THR 33 HG23 THR 33 13.240 4.497 4.046
261 H ALA 34 HN ALA 34 16.324 1.937 1.281
262 HA ALA 34 HA ALA 34 14.099 0.548 0.144
263 1HB ALA 34 HB1 ALA 34 15.835 1.888 -1.059
264 2HB ALA 34 HB2 ALA 34 15.624 0.284 -1.761
265 3HB ALA 34 HB3 ALA 34 17.009 0.616 -0.722
266 H ARG 35 HN ARG 35 17.198 -0.640 1.487
267 HA ARG 35 HA ARG 35 16.834 -3.404 0.777
268 1HB ARG 35 HB2 ARG 35 18.954 -2.256 1.538
269 2HB ARG 35 HB1 ARG 35 18.287 -2.224 3.170
270 1HG ARG 35 HG2 ARG 35 18.545 -4.489 3.469
271 2HG ARG 35 HG1 ARG 35 18.269 -4.852 1.766
272 1HD ARG 35 HD2 ARG 35 20.784 -3.447 2.713
273 2HD ARG 35 HD1 ARG 35 20.670 -5.214 2.591
274 HE ARG 35 HE ARG 35 20.443 -3.318 0.298
275 1HH1 ARG 35 HH11 ARG 35 22.639 -5.243 0.225
276 2HH1 ARG 35 HH12 ARG 35 21.995 -6.563 -0.692
277 1HH2 ARG 35 HH21 ARG 35 18.688 -5.563 -0.298
278 2HH2 ARG 35 HH22 ARG 35 19.747 -6.744 -0.992
279 H LEU 36 HN LEU 36 15.984 -1.544 3.703
280 HA LEU 36 HA LEU 36 14.871 -3.760 5.183
281 1HB LEU 36 HB2 LEU 36 15.590 -1.242 5.761
282 2HB LEU 36 HB1 LEU 36 13.870 -0.956 5.498
283 HG LEU 36 HG LEU 36 13.529 -3.010 7.071
284 1HD1 LEU 36 HD11 LEU 36 16.007 -3.557 7.023
285 2HD1 LEU 36 HD12 LEU 36 15.309 -3.431 8.637
286 3HD1 LEU 36 HD13 LEU 36 16.273 -2.105 7.987
287 1HD2 LEU 36 HD21 LEU 36 12.865 -0.764 7.711
288 2HD2 LEU 36 HD22 LEU 36 14.540 -0.314 8.030
289 3HD2 LEU 36 HD23 LEU 36 13.728 -1.487 9.068
290 H CYS 37 HN CYS 37 13.513 -1.388 2.911
291 HA CYS 37 HA CYS 37 10.741 -2.023 3.222
292 1HB CYS 37 HB2 CYS 37 12.540 -0.627 1.341
293 2HB CYS 37 HB1 CYS 37 11.072 -1.251 0.602
294 H CYS 38 HN CYS 38 13.336 -3.577 1.392
295 HA CYS 38 HA CYS 38 11.476 -5.350 -0.065
296 1HB CYS 38 HB2 CYS 38 13.446 -4.516 -1.199
297 2HB CYS 38 HB1 CYS 38 14.489 -5.039 0.120
298 H PHE 39 HN PHE 39 13.808 -5.480 2.598
299 HA PHE 39 HA PHE 39 13.752 -8.325 3.018
300 1HB PHE 39 HB2 PHE 39 15.581 -7.138 3.901
301 2HB PHE 39 HB1 PHE 39 14.557 -5.869 4.565
302 HD1 PHE 39 HD1 PHE 39 15.295 -9.526 4.917
303 HD2 PHE 39 HD2 PHE 39 13.923 -5.928 6.823
304 HE1 PHE 39 HE1 PHE 39 15.244 -10.701 7.100
305 HE2 PHE 39 HE2 PHE 39 13.873 -7.104 9.005
306 HZ PHE 39 HZ PHE 39 14.533 -9.490 9.144
307 H ARG 40 HN ARG 40 11.860 -5.645 4.419
308 HA ARG 40 HA ARG 40 10.322 -7.591 6.060
309 1HB ARG 40 HB2 ARG 40 11.096 -4.779 6.174
310 2HB ARG 40 HB1 ARG 40 9.388 -5.010 6.533
311 1HG ARG 40 HG2 ARG 40 10.414 -7.039 7.988
312 2HG ARG 40 HG1 ARG 40 11.778 -5.922 8.046
313 1HD ARG 40 HD2 ARG 40 10.676 -4.863 9.729
314 2HD ARG 40 HD1 ARG 40 9.529 -4.300 8.499
315 HE ARG 40 HE ARG 40 9.188 -6.923 9.915
316 1HH1 ARG 40 HH21 ARG 40 7.923 -4.132 10.685
317 2HH1 ARG 40 HH22 ARG 40 6.309 -4.389 10.113
318 1HH2 ARG 40 HH11 ARG 40 7.135 -7.211 8.256
319 2HH2 ARG 40 HH12 ARG 40 5.861 -6.139 8.733
320 H TYR 41 HN TYR 41 9.447 -4.740 4.044
321 HA TYR 41 HA TYR 41 6.719 -5.653 3.719
322 1HB TYR 41 HB2 TYR 41 8.428 -3.527 2.426
323 2HB TYR 41 HB1 TYR 41 6.733 -3.755 2.017
324 HD1 TYR 41 HD1 TYR 41 4.962 -3.300 3.647
325 HD2 TYR 41 HD2 TYR 41 9.100 -2.652 4.600
326 HE1 TYR 41 HE1 TYR 41 4.294 -1.942 5.608
327 HE2 TYR 41 HE2 TYR 41 8.434 -1.299 6.569
328 HH TYR 41 HH TYR 41 6.295 0.113 7.184
329 H GLY 42 HN GLY 42 9.571 -5.655 1.586
330 1HA GLY 42 HA2 GLY 42 9.932 -7.513 0.036
331 2HA GLY 42 HA1 GLY 42 8.187 -7.687 -0.101
332 H ASP 43 HN ASP 43 9.113 -4.396 -0.141
333 HA ASP 43 HA ASP 43 8.698 -4.315 -3.097
334 1HB ASP 43 HB2 ASP 43 8.713 -1.921 -1.280
335 2HB ASP 43 HB1 ASP 43 7.801 -2.173 -2.756
336 H CYS 44 HN CYS 44 10.042 -2.779 -4.328
337 HA CYS 44 HA CYS 44 12.124 -1.891 -5.003
338 1HB CYS 44 HB2 CYS 44 12.711 -1.637 -2.045
339 2HB CYS 44 HB1 CYS 44 13.292 -0.615 -3.348
340 H CYS 45 HN CYS 45 11.882 -4.736 -4.714
341 HA CYS 45 HA CYS 45 14.359 -5.690 -3.411
342 1HB CYS 45 HB2 CYS 45 11.974 -6.933 -4.793
343 2HB CYS 45 HB1 CYS 45 13.363 -7.900 -4.305
344 H HIS 46 HN HIS 46 12.877 -6.099 -6.648
345 HA HIS 46 HA HIS 46 15.513 -6.685 -7.831
346 1HB HIS 46 HB2 HIS 46 12.658 -6.595 -8.848
347 2HB HIS 46 HB1 HIS 46 14.029 -7.000 -9.879
348 HD1 HIS 46 HD1 HIS 46 11.677 -8.479 -7.508
349 HD2 HIS 46 HD2 HIS 46 15.517 -9.376 -8.862
350 HE1 HIS 46 HE1 HIS 46 12.121 -10.887 -6.861
351 H LEU 47 HN LEU 47 16.511 -4.560 -7.570
352 HA LEU 47 HA LEU 47 15.389 -2.449 -9.384
353 1HB LEU 47 HB2 LEU 47 16.527 -2.474 -6.647
354 2HB LEU 47 HB1 LEU 47 17.075 -1.147 -7.671
355 HG LEU 47 HG LEU 47 14.146 -1.832 -7.499
356 1HD1 LEU 47 HD11 LEU 47 13.867 -0.343 -5.638
357 2HD1 LEU 47 HD12 LEU 47 15.556 0.160 -5.704
358 3HD1 LEU 47 HD13 LEU 47 15.141 -1.473 -5.182
359 1HD2 LEU 47 HD21 LEU 47 14.903 -0.294 -9.266
360 2HD2 LEU 47 HD22 LEU 47 15.705 0.713 -8.061
361 3HD2 LEU 47 HD23 LEU 47 13.947 0.577 -8.066