Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
550519 | 2lq2 RC | 18289 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 2.989 -0.584 -1.081
3 HB VAL 1 HB VAL 1 1.848 -0.505 -3.308
4 HG11 VAL 1 1HG1 VAL 1 0.089 -2.384 -2.079
5 HG12 VAL 1 2HG1 VAL 1 1.573 -2.684 -2.985
6 HG13 VAL 1 3HG1 VAL 1 1.640 -2.418 -1.242
7 HG21 VAL 1 3HG2 VAL 1 -0.338 0.048 -3.583
8 HG22 VAL 1 1HG2 VAL 1 -0.799 -0.532 -1.982
9 HG23 VAL 1 2HG2 VAL 1 -0.007 1.034 -2.158
10 H LYS 2 H LYS 2 3.368 0.726 -3.304
11 HA LYS 2 HA LYS 2 3.928 3.417 -2.442
12 HB2 LYS 2 2HB LYS 2 5.273 3.605 -4.367
13 HB3 LYS 2 3HB LYS 2 5.456 1.934 -3.851
14 HG2 LYS 2 2HG LYS 2 5.126 1.571 -6.057
15 HG3 LYS 2 3HG LYS 2 3.436 1.602 -5.548
16 HD2 LYS 2 2HD LYS 2 3.306 3.081 -7.273
17 HD3 LYS 2 3HD LYS 2 3.763 4.206 -5.992
18 HE2 LYS 2 2HE LYS 2 5.784 4.595 -6.892
19 HE3 LYS 2 3HE LYS 2 6.025 2.902 -7.323
20 HZ1 LYS 2 3HZ LYS 2 5.878 4.399 -9.258
21 HZ2 LYS 2 1HZ LYS 2 4.287 4.780 -8.827
22 HZ3 LYS 2 2HZ LYS 2 4.687 3.197 -9.269
23 H GLY 3 H GLY 3 1.448 1.844 -4.204
24 HA2 GLY 3 2HA GLY 3 0.627 3.968 -5.886
25 HA3 GLY 3 3HA GLY 3 -0.371 2.615 -5.375
26 H ARG 4 H ARG 4 -0.153 3.136 -2.554
27 HA ARG 4 HA ARG 4 -2.307 4.950 -2.266
28 HB2 ARG 4 2HB ARG 4 -0.664 3.264 -0.495
29 HB3 ARG 4 3HB ARG 4 -1.328 4.703 0.266
30 HG2 ARG 4 2HG ARG 4 -2.954 3.119 0.673
31 HG3 ARG 4 3HG ARG 4 -3.566 3.930 -0.770
32 HD2 ARG 4 2HD ARG 4 -1.796 1.710 -1.397
33 HD3 ARG 4 3HD ARG 4 -3.197 1.211 -0.449
34 HE ARG 4 HE ARG 4 -4.040 2.880 -2.549
35 HH11 ARG 4 1HH1 ARG 4 -2.756 -0.307 -1.990
36 HH12 ARG 4 2HH1 ARG 4 -3.510 -0.998 -3.389
37 HH21 ARG 4 1HH2 ARG 4 -5.038 1.982 -4.393
38 HH22 ARG 4 2HH2 ARG 4 -4.807 0.305 -4.756
39 H ILE 5 H ILE 5 1.166 5.214 -1.685
40 HA ILE 5 HA ILE 5 0.919 7.931 -0.709
41 HB ILE 5 HB ILE 5 2.629 6.390 0.215
42 HG12 ILE 5 2HG1 ILE 5 4.353 8.440 -0.976
43 HG13 ILE 5 3HG1 ILE 5 2.842 9.080 -0.339
44 HG21 ILE 5 1HG2 ILE 5 4.540 5.731 -1.033
45 HG22 ILE 5 2HG2 ILE 5 3.126 5.310 -1.998
46 HG23 ILE 5 3HG2 ILE 5 4.074 6.741 -2.402
47 HD11 ILE 5 3HD1 ILE 5 4.357 9.241 1.424
48 HD12 ILE 5 1HD1 ILE 5 3.403 7.804 1.792
49 HD13 ILE 5 2HD1 ILE 5 5.024 7.637 1.117
50 H ASP 6 H ASP 6 1.373 6.339 -3.706
51 HA ASP 6 HA ASP 6 2.802 8.370 -5.081
52 HB2 ASP 6 2HB ASP 6 2.799 6.171 -6.018
53 HB3 ASP 6 3HB ASP 6 1.038 6.118 -6.045
54 H ALA 7 H ALA 7 -0.610 7.748 -4.514
55 HA ALA 7 HA ALA 7 -1.707 9.541 -6.357
56 HB1 ALA 7 1HB ALA 7 -3.616 8.785 -5.510
57 HB2 ALA 7 2HB ALA 7 -2.670 7.864 -4.340
58 HB3 ALA 7 3HB ALA 7 -3.251 9.478 -3.930
59 HA PRO 8 HA PRO 8 -1.654 12.864 -2.841
60 HB2 PRO 8 2HB PRO 8 -0.128 12.330 -0.659
61 HB3 PRO 8 3HB PRO 8 -1.831 11.871 -0.776
62 HG2 PRO 8 2HG PRO 8 0.615 10.204 -1.223
63 HG3 PRO 8 3HG PRO 8 -0.878 9.791 -0.360
64 HD2 PRO 8 2HD PRO 8 -0.383 8.968 -2.892
65 HD3 PRO 8 3HD PRO 8 -2.021 9.321 -2.306
66 H ASP 9 H ASP 9 1.254 10.979 -3.430
67 HA ASP 9 HA ASP 9 3.020 13.242 -3.169
68 HB2 ASP 9 2HB ASP 9 3.415 10.397 -4.090
69 HB3 ASP 9 3HB ASP 9 4.707 11.593 -4.149
70 H PHE 10 H PHE 10 1.039 11.942 -5.613
71 HA PHE 10 HA PHE 10 2.465 12.531 -7.936
72 HB2 PHE 10 2HB PHE 10 -0.091 11.610 -7.326
73 HB3 PHE 10 3HB PHE 10 -0.373 13.114 -8.197
74 HD1 PHE 10 HD2 PHE 10 1.529 13.277 -10.249
75 HD2 PHE 10 HD1 PHE 10 -0.328 9.784 -8.678
76 HE1 PHE 10 HE2 PHE 10 1.919 12.115 -12.382
77 HE2 PHE 10 HE1 PHE 10 0.061 8.615 -10.808
78 HZ PHE 10 HZ PHE 10 1.184 9.781 -12.664
79 HA PRO 11 HA PRO 11 0.402 16.911 -7.842
80 HB2 PRO 11 2HB PRO 11 -0.713 17.687 -5.491
81 HB3 PRO 11 3HB PRO 11 -1.618 16.838 -6.749
82 HG2 PRO 11 2HG PRO 11 -0.376 15.754 -4.251
83 HG3 PRO 11 3HG PRO 11 -1.962 15.395 -4.959
84 HD2 PRO 11 2HD PRO 11 0.168 13.748 -5.246
85 HD3 PRO 11 3HD PRO 11 -1.082 13.918 -6.494
86 H SER 12 H SER 12 1.987 15.660 -4.974
87 HA SER 12 HA SER 12 3.225 18.183 -4.315
88 HB2 SER 12 2HB SER 12 3.144 15.461 -3.144
89 HB3 SER 12 3HB SER 12 4.605 16.396 -2.831
90 HG SER 12 HG SER 12 2.556 16.585 -1.418
91 H SER 13 H SER 13 3.883 15.563 -6.394
92 HA SER 13 HA SER 13 6.670 15.481 -6.411
93 HB2 SER 13 2HB SER 13 4.631 14.279 -7.862
94 HB3 SER 13 3HB SER 13 5.517 15.202 -9.076
95 HG SER 13 HG SER 13 6.447 13.145 -7.384
96 HA PRO 14 HA PRO 14 6.509 18.898 -9.846
97 HB2 PRO 14 2HB PRO 14 4.198 20.309 -10.042
98 HB3 PRO 14 3HB PRO 14 4.504 18.835 -10.967
99 HG2 PRO 14 2HG PRO 14 2.933 19.196 -8.445
100 HG3 PRO 14 3HG PRO 14 2.540 18.230 -9.878
101 HD2 PRO 14 2HD PRO 14 3.554 17.137 -7.618
102 HD3 PRO 14 3HD PRO 14 3.904 16.488 -9.233
103 H ALA 15 H ALA 15 4.886 19.291 -6.780
104 HA ALA 15 HA ALA 15 5.523 22.090 -6.525
105 HB1 ALA 15 1HB ALA 15 3.936 20.147 -5.087
106 HB2 ALA 15 2HB ALA 15 4.905 21.133 -3.992
107 HB3 ALA 15 3HB ALA 15 3.801 21.905 -5.130
108 H ILE 16 H ILE 16 6.785 19.036 -5.264
109 HA ILE 16 HA ILE 16 8.734 20.246 -3.571
110 HB ILE 16 HB ILE 16 8.422 17.442 -4.625
111 HG12 ILE 16 2HG1 ILE 16 6.812 18.219 -2.915
112 HG13 ILE 16 3HG1 ILE 16 7.843 16.926 -2.314
113 HG21 ILE 16 1HG2 ILE 16 10.571 18.559 -2.838
114 HG22 ILE 16 2HG2 ILE 16 10.204 16.840 -2.966
115 HG23 ILE 16 3HG2 ILE 16 10.772 17.728 -4.380
116 HD11 ILE 16 3HD1 ILE 16 7.373 19.432 -1.162
117 HD12 ILE 16 1HD1 ILE 16 8.508 18.191 -0.631
118 HD13 ILE 16 2HD1 ILE 16 9.040 19.458 -1.738
119 H LEU 17 H LEU 17 8.782 18.917 -6.845
120 HA LEU 17 HA LEU 17 11.592 19.219 -7.207
121 HB2 LEU 17 2HB LEU 17 9.270 18.485 -8.867
122 HB3 LEU 17 3HB LEU 17 10.634 19.193 -9.730
123 HG LEU 17 HG LEU 17 11.064 16.883 -7.874
124 HD11 LEU 17 1HD1 LEU 17 9.175 16.511 -9.630
125 HD12 LEU 17 2HD1 LEU 17 10.437 15.299 -9.420
126 HD13 LEU 17 3HD1 LEU 17 10.517 16.428 -10.772
127 HD21 LEU 17 3HD2 LEU 17 12.672 16.584 -10.046
128 HD22 LEU 17 1HD2 LEU 17 13.133 17.413 -8.559
129 HD23 LEU 17 2HD2 LEU 17 12.549 18.341 -9.940
130 H GLY 18 H GLY 18 8.814 21.279 -7.677
131 HA2 GLY 18 2HA GLY 18 10.253 23.231 -9.246
132 HA3 GLY 18 3HA GLY 18 8.620 23.392 -8.618
133 H LYS 19 H LYS 19 9.468 22.749 -5.873
134 HA LYS 19 HA LYS 19 10.208 25.422 -5.098
135 HB2 LYS 19 2HB LYS 19 9.185 22.997 -3.759
136 HB3 LYS 19 3HB LYS 19 10.223 24.019 -2.772
137 HG2 LYS 19 2HG LYS 19 7.936 24.646 -2.425
138 HG3 LYS 19 3HG LYS 19 8.762 25.942 -3.293
139 HD2 LYS 19 2HD LYS 19 7.858 24.742 -5.414
140 HD3 LYS 19 3HD LYS 19 6.724 23.990 -4.291
141 HE2 LYS 19 2HE LYS 19 6.906 26.830 -3.827
142 HE3 LYS 19 3HE LYS 19 6.500 26.495 -5.510
143 HZ1 LYS 19 3HZ LYS 19 4.447 26.532 -4.509
144 HZ2 LYS 19 1HZ LYS 19 4.996 25.827 -3.072
145 HZ3 LYS 19 2HZ LYS 19 4.798 24.878 -4.457
146 H ALA 20 H ALA 20 11.739 22.280 -5.264
147 HA ALA 20 HA ALA 20 14.013 22.897 -3.690
148 HB1 ALA 20 1HB ALA 20 14.118 20.683 -3.901
149 HB2 ALA 20 2HB ALA 20 13.102 20.694 -5.343
150 HB3 ALA 20 3HB ALA 20 14.839 20.965 -5.486
151 H ALA 21 H ALA 21 13.219 23.353 -7.073
152 HA ALA 21 HA ALA 21 15.867 23.981 -7.927
153 HB1 ALA 21 1HB ALA 21 14.966 23.944 -9.963
154 HB2 ALA 21 2HB ALA 21 13.455 23.476 -9.184
155 HB3 ALA 21 3HB ALA 21 13.774 25.173 -9.541
156 H THR 22 H THR 22 13.083 25.890 -6.878
157 HA THR 22 HA THR 22 14.417 28.402 -7.347
158 HB THR 22 HB THR 22 11.973 28.240 -7.558
159 HG1 THR 22 HG1 THR 22 11.858 30.251 -6.899
160 HG21 THR 22 3HG2 THR 22 11.884 27.942 -4.561
161 HG22 THR 22 1HG2 THR 22 11.721 26.581 -5.670
162 HG23 THR 22 2HG2 THR 22 10.535 27.887 -5.695
163 H ASP 23 H ASP 23 14.138 26.143 -4.756
164 HA ASP 23 HA ASP 23 14.759 27.966 -2.639
165 HB2 ASP 23 2HB ASP 23 14.545 24.996 -2.905
166 HB3 ASP 23 3HB ASP 23 15.379 25.661 -1.503
167 H VAL 24 H VAL 24 16.608 25.777 -4.691
168 HA VAL 24 HA VAL 24 19.077 26.121 -3.306
169 HB VAL 24 HB VAL 24 18.566 25.173 -6.130
170 HG11 VAL 24 1HG1 VAL 24 21.039 25.225 -4.430
171 HG12 VAL 24 2HG1 VAL 24 20.843 24.071 -5.751
172 HG13 VAL 24 3HG1 VAL 24 20.821 25.804 -6.080
173 HG21 VAL 24 3HG2 VAL 24 18.140 23.123 -5.323
174 HG22 VAL 24 1HG2 VAL 24 19.390 23.247 -4.084
175 HG23 VAL 24 2HG2 VAL 24 17.801 23.960 -3.808
176 H VAL 25 H VAL 25 17.513 27.723 -6.013
177 HA VAL 25 HA VAL 25 19.773 29.231 -6.847
178 HB VAL 25 HB VAL 25 16.834 29.797 -7.264
179 HG11 VAL 25 1HG1 VAL 25 18.116 30.913 -9.374
180 HG12 VAL 25 2HG1 VAL 25 17.628 31.796 -7.926
181 HG13 VAL 25 3HG1 VAL 25 19.282 31.202 -8.083
182 HG21 VAL 25 3HG2 VAL 25 18.404 28.841 -9.527
183 HG22 VAL 25 1HG2 VAL 25 18.301 27.675 -8.208
184 HG23 VAL 25 2HG2 VAL 25 16.828 28.314 -8.938
185 H ALA 26 H ALA 26 17.155 29.803 -4.565
186 HA ALA 26 HA ALA 26 17.920 32.537 -4.074
187 HB1 ALA 26 1HB ALA 26 16.124 32.619 -2.541
188 HB2 ALA 26 2HB ALA 26 15.571 31.620 -3.886
189 HB3 ALA 26 3HB ALA 26 16.085 30.863 -2.378
190 H ALA 27 H ALA 27 18.494 29.405 -2.613
191 HA ALA 27 HA ALA 27 19.469 30.230 -0.122
192 HB1 ALA 27 1HB ALA 27 20.855 28.011 -0.400
193 HB2 ALA 27 2HB ALA 27 19.104 27.971 -0.188
194 HB3 ALA 27 3HB ALA 27 19.802 27.792 -1.798
195 H TRP 28 H TRP 28 20.830 30.506 -3.255
196 HA TRP 28 HA TRP 28 23.569 30.464 -2.682
197 HB2 TRP 28 2HB TRP 28 21.970 30.985 -4.921
198 HB3 TRP 28 3HB TRP 28 22.916 32.451 -4.685
199 HD1 TRP 28 HD1 TRP 28 23.707 28.638 -4.705
200 HE1 TRP 28 HE1 TRP 28 25.902 28.302 -6.007
201 HE3 TRP 28 HE3 TRP 28 24.736 33.517 -5.834
202 HZ2 TRP 28 HZ2 TRP 28 27.817 29.895 -7.336
203 HZ3 TRP 28 HZ3 TRP 28 26.769 34.026 -7.123
204 HH2 TRP 28 HH2 TRP 28 28.277 32.251 -7.857
205 H LYS 29 H LYS 29 21.141 32.848 -2.045
206 HA LYS 29 HA LYS 29 22.917 35.057 -1.680
207 HB2 LYS 29 2HB LYS 29 21.027 36.261 -0.916
208 HB3 LYS 29 3HB LYS 29 20.432 35.189 -2.178
209 HG2 LYS 29 2HG LYS 29 19.974 33.607 -0.105
210 HG3 LYS 29 3HG LYS 29 19.925 35.155 0.743
211 HD2 LYS 29 2HD LYS 29 18.413 34.967 -1.798
212 HD3 LYS 29 3HD LYS 29 17.777 34.063 -0.422
213 HE2 LYS 29 2HE LYS 29 18.552 36.955 -0.196
214 HE3 LYS 29 3HE LYS 29 16.956 36.466 -0.761
215 HZ1 LYS 29 3HZ LYS 29 16.684 35.220 1.324
216 HZ2 LYS 29 1HZ LYS 29 16.892 36.878 1.589
217 HZ3 LYS 29 2HZ LYS 29 18.173 35.810 1.867
218 H SER 30 H SER 30 21.636 32.527 0.369
219 HA SER 30 HA SER 30 22.380 33.699 2.850
220 HB2 SER 30 2HB SER 30 21.905 30.790 2.154
221 HB3 SER 30 3HB SER 30 21.994 31.451 3.786
222 HG SER 30 HG SER 30 19.993 31.744 1.847
Start of MODEL 2
1 H1 VAL 1 H VAL 1 1.168 -0.742 0.356
2 HA VAL 1 HA VAL 1 3.082 -0.467 -1.110
3 HB VAL 1 HB VAL 1 1.950 -0.355 -3.377
4 HG11 VAL 1 1HG1 VAL 1 0.672 -2.502 -2.967
5 HG12 VAL 1 2HG1 VAL 1 2.358 -2.489 -2.445
6 HG13 VAL 1 3HG1 VAL 1 1.065 -2.300 -1.260
7 HG21 VAL 1 3HG2 VAL 1 -0.705 -0.754 -2.324
8 HG22 VAL 1 1HG2 VAL 1 -0.088 0.840 -1.892
9 HG23 VAL 1 2HG2 VAL 1 -0.152 0.348 -3.584
10 H LYS 2 H LYS 2 3.511 0.821 -3.330
11 HA LYS 2 HA LYS 2 4.007 3.531 -2.488
12 HB2 LYS 2 2HB LYS 2 5.409 3.713 -4.372
13 HB3 LYS 2 3HB LYS 2 5.599 2.051 -3.828
14 HG2 LYS 2 2HG LYS 2 5.343 1.655 -6.038
15 HG3 LYS 2 3HG LYS 2 3.638 1.668 -5.582
16 HD2 LYS 2 2HD LYS 2 3.541 3.122 -7.330
17 HD3 LYS 2 3HD LYS 2 3.943 4.271 -6.051
18 HE2 LYS 2 2HE LYS 2 6.091 4.542 -6.783
19 HE3 LYS 2 3HE LYS 2 6.178 2.920 -7.468
20 HZ1 LYS 2 3HZ LYS 2 4.883 5.318 -8.624
21 HZ2 LYS 2 1HZ LYS 2 4.562 3.757 -9.193
22 HZ3 LYS 2 2HZ LYS 2 6.131 4.384 -9.282
23 H GLY 3 H GLY 3 1.605 1.899 -4.304
24 HA2 GLY 3 2HA GLY 3 0.809 3.989 -6.040
25 HA3 GLY 3 3HA GLY 3 -0.187 2.629 -5.542
26 H ARG 4 H ARG 4 -0.062 3.192 -2.722
27 HA ARG 4 HA ARG 4 -2.250 4.978 -2.527
28 HB2 ARG 4 2HB ARG 4 -0.455 3.923 -0.333
29 HB3 ARG 4 3HB ARG 4 -2.030 4.671 -0.104
30 HG2 ARG 4 2HG ARG 4 -1.618 2.164 -1.710
31 HG3 ARG 4 3HG ARG 4 -1.982 2.166 0.017
32 HD2 ARG 4 2HD ARG 4 -3.849 3.887 -1.180
33 HD3 ARG 4 3HD ARG 4 -3.756 2.468 -2.221
34 HE ARG 4 HE ARG 4 -4.004 1.838 0.571
35 HH11 ARG 4 1HH1 ARG 4 -5.727 2.609 -2.353
36 HH12 ARG 4 2HH1 ARG 4 -7.195 1.842 -1.846
37 HH21 ARG 4 1HH2 ARG 4 -5.931 0.824 1.251
38 HH22 ARG 4 2HH2 ARG 4 -7.311 0.828 0.205
39 H ILE 5 H ILE 5 1.200 5.299 -1.842
40 HA ILE 5 HA ILE 5 0.885 8.025 -0.912
41 HB ILE 5 HB ILE 5 2.586 6.519 0.086
42 HG12 ILE 5 2HG1 ILE 5 4.205 8.667 -1.168
43 HG13 ILE 5 3HG1 ILE 5 2.743 9.173 -0.329
44 HG21 ILE 5 1HG2 ILE 5 4.549 5.879 -1.093
45 HG22 ILE 5 2HG2 ILE 5 3.171 5.416 -2.090
46 HG23 ILE 5 3HG2 ILE 5 4.104 6.858 -2.490
47 HD11 ILE 5 3HD1 ILE 5 5.205 7.897 0.756
48 HD12 ILE 5 1HD1 ILE 5 4.322 9.312 1.329
49 HD13 ILE 5 2HD1 ILE 5 3.669 7.695 1.597
50 H ASP 6 H ASP 6 1.453 6.399 -3.871
51 HA ASP 6 HA ASP 6 2.900 8.429 -5.228
52 HB2 ASP 6 2HB ASP 6 2.952 6.222 -6.139
53 HB3 ASP 6 3HB ASP 6 1.194 6.141 -6.211
54 H ALA 7 H ALA 7 -0.523 7.770 -4.766
55 HA ALA 7 HA ALA 7 -1.580 9.531 -6.662
56 HB1 ALA 7 1HB ALA 7 -2.574 8.225 -4.205
57 HB2 ALA 7 2HB ALA 7 -3.474 9.632 -4.774
58 HB3 ALA 7 3HB ALA 7 -3.246 8.242 -5.835
59 HA PRO 8 HA PRO 8 -1.682 12.892 -3.184
60 HB2 PRO 8 2HB PRO 8 -0.224 12.400 -0.947
61 HB3 PRO 8 3HB PRO 8 -1.917 11.919 -1.116
62 HG2 PRO 8 2HG PRO 8 0.562 10.277 -1.461
63 HG3 PRO 8 3HG PRO 8 -0.954 9.856 -0.645
64 HD2 PRO 8 2HD PRO 8 -0.365 9.011 -3.149
65 HD3 PRO 8 3HD PRO 8 -2.026 9.351 -2.622
66 H ASP 9 H ASP 9 1.265 11.036 -3.659
67 HA ASP 9 HA ASP 9 2.996 13.322 -3.362
68 HB2 ASP 9 2HB ASP 9 3.881 11.173 -2.740
69 HB3 ASP 9 3HB ASP 9 3.496 10.500 -4.322
70 H PHE 10 H PHE 10 1.112 11.975 -5.857
71 HA PHE 10 HA PHE 10 2.605 12.560 -8.138
72 HB2 PHE 10 2HB PHE 10 0.031 11.629 -7.595
73 HB3 PHE 10 3HB PHE 10 -0.220 13.107 -8.518
74 HD1 PHE 10 HD1 PHE 10 2.172 10.241 -8.649
75 HD2 PHE 10 HD2 PHE 10 -0.552 12.748 -10.750
76 HE1 PHE 10 HE1 PHE 10 2.656 9.019 -10.729
77 HE2 PHE 10 HE2 PHE 10 -0.073 11.529 -12.832
78 HZ PHE 10 HZ PHE 10 1.532 9.661 -12.824
79 HA PRO 11 HA PRO 11 0.487 16.914 -8.153
80 HB2 PRO 11 2HB PRO 11 -0.712 17.698 -5.847
81 HB3 PRO 11 3HB PRO 11 -1.566 16.826 -7.126
82 HG2 PRO 11 2HG PRO 11 -0.392 15.781 -4.578
83 HG3 PRO 11 3HG PRO 11 -1.950 15.396 -5.333
84 HD2 PRO 11 2HD PRO 11 0.208 13.773 -5.536
85 HD3 PRO 11 3HD PRO 11 -1.003 13.916 -6.826
86 H SER 12 H SER 12 1.993 15.711 -5.223
87 HA SER 12 HA SER 12 3.178 18.255 -4.549
88 HB2 SER 12 2HB SER 12 2.839 15.686 -3.268
89 HB3 SER 12 3HB SER 12 4.513 16.226 -3.134
90 HG SER 12 HG SER 12 3.769 18.151 -2.216
91 H SER 13 H SER 13 3.936 15.623 -6.579
92 HA SER 13 HA SER 13 6.722 15.575 -6.505
93 HB2 SER 13 2HB SER 13 4.709 14.395 -8.064
94 HB3 SER 13 3HB SER 13 5.745 15.245 -9.210
95 HG SER 13 HG SER 13 7.435 14.018 -8.619
96 HA PRO 14 HA PRO 14 6.636 18.961 -9.974
97 HB2 PRO 14 2HB PRO 14 4.316 20.341 -10.261
98 HB3 PRO 14 3HB PRO 14 4.671 18.862 -11.162
99 HG2 PRO 14 2HG PRO 14 3.010 19.226 -8.698
100 HG3 PRO 14 3HG PRO 14 2.679 18.242 -10.136
101 HD2 PRO 14 2HD PRO 14 3.628 17.182 -7.832
102 HD3 PRO 14 3HD PRO 14 4.041 16.523 -9.428
103 H ALA 15 H ALA 15 4.909 19.357 -6.967
104 HA ALA 15 HA ALA 15 5.498 22.167 -6.716
105 HB1 ALA 15 1HB ALA 15 3.495 21.437 -5.684
106 HB2 ALA 15 2HB ALA 15 4.328 20.143 -4.821
107 HB3 ALA 15 3HB ALA 15 4.617 21.826 -4.379
108 H ILE 16 H ILE 16 6.767 19.142 -5.399
109 HA ILE 16 HA ILE 16 8.649 20.402 -3.660
110 HB ILE 16 HB ILE 16 8.394 17.576 -4.669
111 HG12 ILE 16 2HG1 ILE 16 8.175 18.561 -1.834
112 HG13 ILE 16 3HG1 ILE 16 6.801 18.640 -2.932
113 HG21 ILE 16 1HG2 ILE 16 10.473 18.748 -2.834
114 HG22 ILE 16 2HG2 ILE 16 10.128 17.023 -2.944
115 HG23 ILE 16 3HG2 ILE 16 10.732 17.892 -4.354
116 HD11 ILE 16 3HD1 ILE 16 6.873 16.238 -3.228
117 HD12 ILE 16 1HD1 ILE 16 8.293 16.136 -2.188
118 HD13 ILE 16 2HD1 ILE 16 6.745 16.651 -1.518
119 H LEU 17 H LEU 17 8.795 19.029 -6.910
120 HA LEU 17 HA LEU 17 11.618 19.357 -7.190
121 HB2 LEU 17 2HB LEU 17 10.114 17.757 -8.466
122 HB3 LEU 17 3HB LEU 17 9.619 19.149 -9.426
123 HG LEU 17 HG LEU 17 12.471 19.014 -9.402
124 HD11 LEU 17 1HD1 LEU 17 12.923 16.890 -10.317
125 HD12 LEU 17 2HD1 LEU 17 11.210 16.497 -10.456
126 HD13 LEU 17 3HD1 LEU 17 11.966 16.593 -8.866
127 HD21 LEU 17 3HD2 LEU 17 10.378 18.612 -11.534
128 HD22 LEU 17 1HD2 LEU 17 12.106 18.781 -11.847
129 HD23 LEU 17 2HD2 LEU 17 11.207 20.114 -11.122
130 H GLY 18 H GLY 18 8.822 21.355 -7.784
131 HA2 GLY 18 2HA GLY 18 10.269 23.288 -9.374
132 HA3 GLY 18 3HA GLY 18 8.616 23.437 -8.794
133 H LYS 19 H LYS 19 9.395 22.886 -6.011
134 HA LYS 19 HA LYS 19 10.084 25.593 -5.297
135 HB2 LYS 19 2HB LYS 19 9.496 25.009 -3.084
136 HB3 LYS 19 3HB LYS 19 8.365 24.139 -4.113
137 HG2 LYS 19 2HG LYS 19 9.664 22.100 -3.845
138 HG3 LYS 19 3HG LYS 19 10.835 22.966 -2.849
139 HD2 LYS 19 2HD LYS 19 8.861 23.541 -1.334
140 HD3 LYS 19 3HD LYS 19 7.970 22.304 -2.224
141 HE2 LYS 19 2HE LYS 19 9.702 20.660 -1.624
142 HE3 LYS 19 3HE LYS 19 10.541 21.903 -0.696
143 HZ1 LYS 19 3HZ LYS 19 7.732 21.456 -0.058
144 HZ2 LYS 19 1HZ LYS 19 9.031 21.813 0.965
145 HZ3 LYS 19 2HZ LYS 19 8.814 20.236 0.393
146 H ALA 20 H ALA 20 11.641 22.464 -5.331
147 HA ALA 20 HA ALA 20 13.852 23.135 -3.687
148 HB1 ALA 20 1HB ALA 20 14.923 21.144 -4.797
149 HB2 ALA 20 2HB ALA 20 13.377 20.835 -4.006
150 HB3 ALA 20 3HB ALA 20 13.454 20.992 -5.761
151 H ALA 21 H ALA 21 13.182 23.497 -7.109
152 HA ALA 21 HA ALA 21 15.853 24.129 -7.879
153 HB1 ALA 21 1HB ALA 21 14.674 25.060 -9.943
154 HB2 ALA 21 2HB ALA 21 14.479 23.339 -9.605
155 HB3 ALA 21 3HB ALA 21 13.183 24.468 -9.209
156 H THR 22 H THR 22 13.018 26.038 -6.981
157 HA THR 22 HA THR 22 14.348 28.550 -7.465
158 HB THR 22 HB THR 22 11.914 28.359 -7.760
159 HG1 THR 22 HG1 THR 22 12.373 30.088 -5.560
160 HG21 THR 22 3HG2 THR 22 11.715 28.143 -4.761
161 HG22 THR 22 1HG2 THR 22 11.613 26.748 -5.834
162 HG23 THR 22 2HG2 THR 22 10.413 28.036 -5.946
163 H ASP 23 H ASP 23 13.993 26.353 -4.829
164 HA ASP 23 HA ASP 23 14.523 28.234 -2.738
165 HB2 ASP 23 2HB ASP 23 14.311 25.264 -2.943
166 HB3 ASP 23 3HB ASP 23 15.132 25.945 -1.540
167 H VAL 24 H VAL 24 16.461 26.009 -4.666
168 HA VAL 24 HA VAL 24 18.875 26.407 -3.202
169 HB VAL 24 HB VAL 24 18.474 25.387 -6.018
170 HG11 VAL 24 1HG1 VAL 24 20.789 24.276 -5.060
171 HG12 VAL 24 2HG1 VAL 24 20.692 25.647 -6.167
172 HG13 VAL 24 3HG1 VAL 24 20.867 25.923 -4.434
173 HG21 VAL 24 3HG2 VAL 24 18.023 23.358 -5.175
174 HG22 VAL 24 1HG2 VAL 24 19.239 23.512 -3.907
175 HG23 VAL 24 2HG2 VAL 24 17.642 24.225 -3.687
176 H VAL 25 H VAL 25 17.400 27.930 -6.002
177 HA VAL 25 HA VAL 25 19.678 29.435 -6.791
178 HB VAL 25 HB VAL 25 16.752 29.968 -7.328
179 HG11 VAL 25 1HG1 VAL 25 19.225 31.360 -8.110
180 HG12 VAL 25 2HG1 VAL 25 18.080 31.050 -9.417
181 HG13 VAL 25 3HG1 VAL 25 17.571 31.959 -7.993
182 HG21 VAL 25 3HG2 VAL 25 16.816 28.430 -8.949
183 HG22 VAL 25 1HG2 VAL 25 18.395 28.976 -9.517
184 HG23 VAL 25 2HG2 VAL 25 18.285 27.839 -8.172
185 H ALA 26 H ALA 26 16.974 30.042 -4.620
186 HA ALA 26 HA ALA 26 17.701 32.793 -4.170
187 HB1 ALA 26 1HB ALA 26 15.995 32.166 -2.137
188 HB2 ALA 26 2HB ALA 26 15.505 32.734 -3.734
189 HB3 ALA 26 3HB ALA 26 15.523 31.007 -3.380
190 H ALA 27 H ALA 27 18.245 29.703 -2.612
191 HA ALA 27 HA ALA 27 19.123 30.596 -0.108
192 HB1 ALA 27 1HB ALA 27 18.612 28.268 -0.519
193 HB2 ALA 27 2HB ALA 27 19.954 28.146 -1.658
194 HB3 ALA 27 3HB ALA 27 20.273 28.423 0.054
195 H TRP 28 H TRP 28 20.594 30.806 -3.196
196 HA TRP 28 HA TRP 28 23.311 30.800 -2.523
197 HB2 TRP 28 2HB TRP 28 21.844 31.163 -4.837
198 HB3 TRP 28 3HB TRP 28 22.613 32.731 -4.605
199 HD1 TRP 28 HD1 TRP 28 25.220 32.886 -4.977
200 HE1 TRP 28 HE1 TRP 28 26.954 31.261 -5.964
201 HE3 TRP 28 HE3 TRP 28 22.411 28.614 -4.993
202 HZ2 TRP 28 HZ2 TRP 28 27.111 28.529 -6.659
203 HZ3 TRP 28 HZ3 TRP 28 23.428 26.538 -5.835
204 HH2 TRP 28 HH2 TRP 28 25.729 26.498 -6.651
205 H LYS 29 H LYS 29 20.844 33.179 -2.033
206 HA LYS 29 HA LYS 29 22.590 35.410 -1.659
207 HB2 LYS 29 2HB LYS 29 20.665 36.618 -0.993
208 HB3 LYS 29 3HB LYS 29 20.124 35.511 -2.249
209 HG2 LYS 29 2HG LYS 29 19.603 33.976 -0.157
210 HG3 LYS 29 3HG LYS 29 19.511 35.542 0.651
211 HD2 LYS 29 2HD LYS 29 18.063 35.092 -1.929
212 HD3 LYS 29 3HD LYS 29 17.370 34.516 -0.411
213 HE2 LYS 29 2HE LYS 29 16.443 36.627 -0.613
214 HE3 LYS 29 3HE LYS 29 17.836 36.924 0.425
215 HZ1 LYS 29 3HZ LYS 29 18.051 37.225 -2.501
216 HZ2 LYS 29 1HZ LYS 29 19.004 37.921 -1.288
217 HZ3 LYS 29 2HZ LYS 29 17.429 38.479 -1.551
218 H SER 30 H SER 30 21.254 32.921 0.405
219 HA SER 30 HA SER 30 21.927 34.168 2.877
220 HB2 SER 30 2HB SER 30 20.202 32.465 2.824
221 HB3 SER 30 3HB SER 30 21.344 31.276 2.197
222 HG SER 30 HG SER 30 20.941 31.179 4.512
Start of MODEL 3
1 H1 VAL 1 H VAL 1 1.526 -1.514 -3.296
2 HA VAL 1 HA VAL 1 0.823 0.026 -1.760
3 HB VAL 1 HB VAL 1 3.649 -0.123 -0.720
4 HG11 VAL 1 1HG1 VAL 1 1.240 1.094 0.208
5 HG12 VAL 1 2HG1 VAL 1 1.701 -0.196 1.320
6 HG13 VAL 1 3HG1 VAL 1 2.841 1.097 0.948
7 HG21 VAL 1 3HG2 VAL 1 3.058 -2.383 -1.048
8 HG22 VAL 1 1HG2 VAL 1 2.738 -2.053 0.654
9 HG23 VAL 1 2HG2 VAL 1 1.404 -2.113 -0.498
10 H LYS 2 H LYS 2 3.173 0.833 -3.966
11 HA LYS 2 HA LYS 2 3.734 3.502 -3.038
12 HB2 LYS 2 2HB LYS 2 5.086 3.735 -4.952
13 HB3 LYS 2 3HB LYS 2 5.265 2.051 -4.476
14 HG2 LYS 2 2HG LYS 2 4.944 1.742 -6.692
15 HG3 LYS 2 3HG LYS 2 3.252 1.763 -6.189
16 HD2 LYS 2 2HD LYS 2 3.130 3.284 -7.877
17 HD3 LYS 2 3HD LYS 2 3.584 4.377 -6.568
18 HE2 LYS 2 2HE LYS 2 5.908 3.169 -7.792
19 HE3 LYS 2 3HE LYS 2 4.915 4.002 -8.987
20 HZ1 LYS 2 3HZ LYS 2 5.051 6.008 -7.732
21 HZ2 LYS 2 1HZ LYS 2 6.625 5.419 -7.923
22 HZ3 LYS 2 2HZ LYS 2 5.826 5.232 -6.444
23 H GLY 3 H GLY 3 1.259 1.975 -4.847
24 HA2 GLY 3 2HA GLY 3 0.448 4.140 -6.481
25 HA3 GLY 3 3HA GLY 3 -0.555 2.777 -6.006
26 H ARG 4 H ARG 4 -0.345 3.231 -3.172
27 HA ARG 4 HA ARG 4 -2.499 5.041 -2.849
28 HB2 ARG 4 2HB ARG 4 -0.705 3.574 -0.936
29 HB3 ARG 4 3HB ARG 4 -1.885 4.739 -0.352
30 HG2 ARG 4 2HG ARG 4 -3.667 3.420 -0.898
31 HG3 ARG 4 3HG ARG 4 -2.806 2.609 -2.208
32 HD2 ARG 4 2HD ARG 4 -1.713 2.172 0.490
33 HD3 ARG 4 3HD ARG 4 -3.316 1.495 0.206
34 HE ARG 4 HE ARG 4 -1.456 0.867 -1.879
35 HH11 ARG 4 1HH1 ARG 4 -2.581 -0.046 1.286
36 HH12 ARG 4 2HH1 ARG 4 -2.081 -1.697 1.131
37 HH21 ARG 4 1HH2 ARG 4 -0.793 -1.305 -2.096
38 HH22 ARG 4 2HH2 ARG 4 -1.063 -2.412 -0.793
39 H ILE 5 H ILE 5 0.973 5.285 -2.249
40 HA ILE 5 HA ILE 5 0.726 7.978 -1.209
41 HB ILE 5 HB ILE 5 2.428 6.427 -0.305
42 HG12 ILE 5 2HG1 ILE 5 4.034 8.583 -1.580
43 HG13 ILE 5 3HG1 ILE 5 2.633 9.076 -0.634
44 HG21 ILE 5 1HG2 ILE 5 4.331 5.756 -1.556
45 HG22 ILE 5 2HG2 ILE 5 2.916 5.366 -2.532
46 HG23 ILE 5 3HG2 ILE 5 3.885 6.789 -2.913
47 HD11 ILE 5 3HD1 ILE 5 5.206 7.963 0.230
48 HD12 ILE 5 1HD1 ILE 5 4.107 9.071 1.052
49 HD13 ILE 5 2HD1 ILE 5 3.787 7.336 1.069
50 H ASP 6 H ASP 6 1.188 6.458 -4.241
51 HA ASP 6 HA ASP 6 2.629 8.516 -5.561
52 HB2 ASP 6 2HB ASP 6 2.648 6.379 -6.589
53 HB3 ASP 6 3HB ASP 6 0.891 6.260 -6.548
54 H ALA 7 H ALA 7 -0.790 7.890 -5.030
55 HA ALA 7 HA ALA 7 -1.870 9.737 -6.829
56 HB1 ALA 7 1HB ALA 7 -2.811 8.150 -4.611
57 HB2 ALA 7 2HB ALA 7 -3.576 9.740 -4.627
58 HB3 ALA 7 3HB ALA 7 -3.674 8.699 -6.048
59 HA PRO 8 HA PRO 8 -1.825 12.965 -3.225
60 HB2 PRO 8 2HB PRO 8 -0.315 12.367 -1.050
61 HB3 PRO 8 3HB PRO 8 -2.019 11.918 -1.189
62 HG2 PRO 8 2HG PRO 8 0.424 10.254 -1.665
63 HG3 PRO 8 3HG PRO 8 -1.076 9.824 -0.823
64 HD2 PRO 8 2HD PRO 8 -0.568 9.067 -3.372
65 HD3 PRO 8 3HD PRO 8 -2.209 9.411 -2.787
66 H ASP 9 H ASP 9 1.078 11.086 -3.851
67 HA ASP 9 HA ASP 9 2.853 13.332 -3.517
68 HB2 ASP 9 2HB ASP 9 3.603 11.036 -3.030
69 HB3 ASP 9 3HB ASP 9 3.369 10.605 -4.722
70 H PHE 10 H PHE 10 0.881 12.109 -6.007
71 HA PHE 10 HA PHE 10 2.321 12.758 -8.305
72 HB2 PHE 10 2HB PHE 10 -0.269 11.868 -7.714
73 HB3 PHE 10 3HB PHE 10 -0.493 13.365 -8.613
74 HD1 PHE 10 HD2 PHE 10 1.918 10.524 -8.852
75 HD2 PHE 10 HD1 PHE 10 -0.973 12.956 -10.812
76 HE1 PHE 10 HE2 PHE 10 2.335 9.317 -10.955
77 HE2 PHE 10 HE1 PHE 10 -0.561 11.752 -12.919
78 HZ PHE 10 HZ PHE 10 1.095 9.931 -12.992
79 HA PRO 11 HA PRO 11 0.272 17.141 -8.098
80 HB2 PRO 11 2HB PRO 11 -0.853 17.854 -5.733
81 HB3 PRO 11 3HB PRO 11 -1.754 17.044 -7.019
82 HG2 PRO 11 2HG PRO 11 -0.529 15.885 -4.545
83 HG3 PRO 11 3HG PRO 11 -2.112 15.552 -5.271
84 HD2 PRO 11 2HD PRO 11 0.014 13.907 -5.594
85 HD3 PRO 11 3HD PRO 11 -1.229 14.116 -6.844
86 H SER 12 H SER 12 1.838 15.804 -5.258
87 HA SER 12 HA SER 12 3.080 18.303 -4.522
88 HB2 SER 12 2HB SER 12 3.681 15.512 -3.516
89 HB3 SER 12 3HB SER 12 4.163 17.030 -2.758
90 HG SER 12 HG SER 12 2.226 17.242 -1.948
91 H SER 13 H SER 13 3.741 15.741 -6.670
92 HA SER 13 HA SER 13 6.528 15.649 -6.675
93 HB2 SER 13 2HB SER 13 4.472 14.527 -8.195
94 HB3 SER 13 3HB SER 13 5.432 15.442 -9.358
95 HG SER 13 HG SER 13 6.699 13.770 -7.484
96 HA PRO 14 HA PRO 14 6.397 19.163 -10.013
97 HB2 PRO 14 2HB PRO 14 4.092 20.587 -10.181
98 HB3 PRO 14 3HB PRO 14 4.398 19.138 -11.146
99 HG2 PRO 14 2HG PRO 14 2.814 19.434 -8.623
100 HG3 PRO 14 3HG PRO 14 2.426 18.509 -10.086
101 HD2 PRO 14 2HD PRO 14 3.424 17.350 -7.851
102 HD3 PRO 14 3HD PRO 14 3.781 16.745 -9.482
103 H ALA 15 H ALA 15 4.757 19.475 -6.946
104 HA ALA 15 HA ALA 15 5.403 22.263 -6.608
105 HB1 ALA 15 1HB ALA 15 3.582 20.529 -5.452
106 HB2 ALA 15 2HB ALA 15 4.743 20.852 -4.164
107 HB3 ALA 15 3HB ALA 15 3.912 22.190 -4.956
108 H ILE 16 H ILE 16 6.649 19.170 -5.434
109 HA ILE 16 HA ILE 16 8.592 20.325 -3.694
110 HB ILE 16 HB ILE 16 8.275 17.552 -4.825
111 HG12 ILE 16 2HG1 ILE 16 6.657 18.288 -3.106
112 HG13 ILE 16 3HG1 ILE 16 7.680 16.976 -2.532
113 HG21 ILE 16 1HG2 ILE 16 10.417 18.611 -2.995
114 HG22 ILE 16 2HG2 ILE 16 10.044 16.898 -3.173
115 HG23 ILE 16 3HG2 ILE 16 10.624 17.821 -4.558
116 HD11 ILE 16 3HD1 ILE 16 9.084 18.652 -1.371
117 HD12 ILE 16 1HD1 ILE 16 7.930 19.895 -1.856
118 HD13 ILE 16 2HD1 ILE 16 7.421 18.587 -0.787
119 H LEU 17 H LEU 17 8.650 19.089 -7.004
120 HA LEU 17 HA LEU 17 11.463 19.376 -7.346
121 HB2 LEU 17 2HB LEU 17 9.728 17.969 -8.682
122 HB3 LEU 17 3HB LEU 17 9.519 19.449 -9.616
123 HG LEU 17 HG LEU 17 12.162 19.260 -9.795
124 HD11 LEU 17 1HD1 LEU 17 12.915 16.988 -9.958
125 HD12 LEU 17 2HD1 LEU 17 11.302 16.380 -9.591
126 HD13 LEU 17 3HD1 LEU 17 12.221 17.239 -8.357
127 HD21 LEU 17 3HD2 LEU 17 11.407 17.514 -11.781
128 HD22 LEU 17 1HD2 LEU 17 11.346 19.274 -11.873
129 HD23 LEU 17 2HD2 LEU 17 9.908 18.365 -11.407
130 H GLY 18 H GLY 18 8.697 21.470 -7.818
131 HA2 GLY 18 2HA GLY 18 10.200 23.467 -9.268
132 HA3 GLY 18 3HA GLY 18 8.543 23.613 -8.700
133 H LYS 19 H LYS 19 9.326 22.854 -5.946
134 HA LYS 19 HA LYS 19 10.004 25.505 -5.046
135 HB2 LYS 19 2HB LYS 19 9.206 22.947 -3.702
136 HB3 LYS 19 3HB LYS 19 9.889 24.259 -2.751
137 HG2 LYS 19 2HG LYS 19 8.096 25.678 -3.197
138 HG3 LYS 19 3HG LYS 19 7.563 24.720 -4.580
139 HD2 LYS 19 2HD LYS 19 7.186 22.847 -2.837
140 HD3 LYS 19 3HD LYS 19 7.248 24.155 -1.653
141 HE2 LYS 19 2HE LYS 19 5.472 24.391 -4.045
142 HE3 LYS 19 3HE LYS 19 4.963 23.414 -2.669
143 HZ1 LYS 19 3HZ LYS 19 5.277 26.306 -2.880
144 HZ2 LYS 19 1HZ LYS 19 5.693 25.600 -1.399
145 HZ3 LYS 19 2HZ LYS 19 4.133 25.401 -2.022
146 H ALA 20 H ALA 20 11.594 22.407 -5.332
147 HA ALA 20 HA ALA 20 13.813 22.975 -3.660
148 HB1 ALA 20 1HB ALA 20 13.647 20.729 -4.019
149 HB2 ALA 20 2HB ALA 20 13.165 20.919 -5.705
150 HB3 ALA 20 3HB ALA 20 14.854 21.129 -5.242
151 H ALA 21 H ALA 21 13.107 23.585 -7.040
152 HA ALA 21 HA ALA 21 15.764 24.305 -7.783
153 HB1 ALA 21 1HB ALA 21 14.565 23.741 -9.639
154 HB2 ALA 21 2HB ALA 21 13.079 24.482 -9.043
155 HB3 ALA 21 3HB ALA 21 14.371 25.494 -9.689
156 H THR 22 H THR 22 12.917 26.108 -6.718
157 HA THR 22 HA THR 22 14.214 28.664 -7.023
158 HB THR 22 HB THR 22 11.780 28.468 -7.309
159 HG1 THR 22 HG1 THR 22 11.354 30.356 -6.253
160 HG21 THR 22 3HG2 THR 22 11.610 28.028 -4.333
161 HG22 THR 22 1HG2 THR 22 11.519 26.713 -5.504
162 HG23 THR 22 2HG2 THR 22 10.301 27.988 -5.513
163 H ASP 23 H ASP 23 13.910 26.271 -4.557
164 HA ASP 23 HA ASP 23 14.445 27.998 -2.337
165 HB2 ASP 23 2HB ASP 23 13.305 26.001 -1.799
166 HB3 ASP 23 3HB ASP 23 14.447 25.009 -2.702
167 H VAL 24 H VAL 24 16.376 25.947 -4.451
168 HA VAL 24 HA VAL 24 18.803 26.244 -2.982
169 HB VAL 24 HB VAL 24 18.369 25.430 -5.859
170 HG11 VAL 24 1HG1 VAL 24 20.586 25.859 -5.960
171 HG12 VAL 24 2HG1 VAL 24 20.797 25.757 -4.211
172 HG13 VAL 24 3HG1 VAL 24 20.699 24.284 -5.176
173 HG21 VAL 24 3HG2 VAL 24 17.429 24.063 -3.822
174 HG22 VAL 24 1HG2 VAL 24 18.221 23.246 -5.170
175 HG23 VAL 24 2HG2 VAL 24 19.107 23.542 -3.674
176 H VAL 25 H VAL 25 17.290 27.964 -5.645
177 HA VAL 25 HA VAL 25 19.552 29.540 -6.339
178 HB VAL 25 HB VAL 25 16.618 30.091 -6.807
179 HG11 VAL 25 1HG1 VAL 25 17.929 32.123 -6.993
180 HG12 VAL 25 2HG1 VAL 25 19.070 31.314 -8.069
181 HG13 VAL 25 3HG1 VAL 25 17.408 31.590 -8.591
182 HG21 VAL 25 3HG2 VAL 25 16.676 28.691 -8.550
183 HG22 VAL 25 1HG2 VAL 25 18.256 29.275 -9.074
184 HG23 VAL 25 2HG2 VAL 25 18.143 28.039 -7.820
185 H ALA 26 H ALA 26 16.865 29.963 -4.104
186 HA ALA 26 HA ALA 26 17.580 32.678 -3.454
187 HB1 ALA 26 1HB ALA 26 15.656 32.759 -2.232
188 HB2 ALA 26 2HB ALA 26 15.250 31.436 -3.326
189 HB3 ALA 26 3HB ALA 26 15.799 31.087 -1.686
190 H ALA 27 H ALA 27 18.158 29.482 -2.140
191 HA ALA 27 HA ALA 27 19.273 30.459 0.331
192 HB1 ALA 27 1HB ALA 27 19.737 28.159 0.838
193 HB2 ALA 27 2HB ALA 27 18.119 28.268 0.143
194 HB3 ALA 27 3HB ALA 27 19.464 27.689 -0.840
195 H TRP 28 H TRP 28 20.409 29.893 -2.852
196 HA TRP 28 HA TRP 28 23.096 29.263 -2.384
197 HB2 TRP 28 2HB TRP 28 21.483 29.871 -4.619
198 HB3 TRP 28 3HB TRP 28 22.844 30.989 -4.673
199 HD1 TRP 28 HD1 TRP 28 21.962 27.329 -5.121
200 HE1 TRP 28 HE1 TRP 28 24.021 26.068 -6.012
201 HE3 TRP 28 HE3 TRP 28 25.464 31.015 -4.588
202 HZ2 TRP 28 HZ2 TRP 28 26.767 26.569 -6.432
203 HZ3 TRP 28 HZ3 TRP 28 27.784 30.543 -5.257
204 HH2 TRP 28 HH2 TRP 28 28.420 28.365 -6.160
205 H LYS 29 H LYS 29 21.393 32.327 -2.342
206 HA LYS 29 HA LYS 29 23.715 33.974 -2.283
207 HB2 LYS 29 2HB LYS 29 22.244 35.782 -1.867
208 HB3 LYS 29 3HB LYS 29 21.366 34.686 -2.926
209 HG2 LYS 29 2HG LYS 29 20.518 33.749 -0.581
210 HG3 LYS 29 3HG LYS 29 20.866 35.412 -0.103
211 HD2 LYS 29 2HD LYS 29 19.253 34.805 -2.560
212 HD3 LYS 29 3HD LYS 29 18.503 34.851 -0.962
213 HE2 LYS 29 2HE LYS 29 20.031 37.156 -1.047
214 HE3 LYS 29 3HE LYS 29 19.376 37.028 -2.679
215 HZ1 LYS 29 3HZ LYS 29 17.846 37.091 -0.138
216 HZ2 LYS 29 1HZ LYS 29 17.154 36.747 -1.643
217 HZ3 LYS 29 2HZ LYS 29 17.851 38.261 -1.360
218 H SER 30 H SER 30 21.790 32.352 0.145
219 HA SER 30 HA SER 30 22.968 33.741 2.365
220 HB2 SER 30 2HB SER 30 20.670 32.656 2.350
221 HB3 SER 30 3HB SER 30 21.498 31.103 2.463
222 HG SER 30 HG SER 30 20.800 32.249 4.491
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.060 0.626 0.189
2 HA VAL 1 HA VAL 1 3.114 -0.702 -1.393
3 HB VAL 1 HB VAL 1 1.726 -0.474 -3.476
4 HG11 VAL 1 1HG1 VAL 1 1.711 -2.675 -3.127
5 HG12 VAL 1 2HG1 VAL 1 1.531 -2.474 -1.383
6 HG13 VAL 1 3HG1 VAL 1 0.108 -2.454 -2.426
7 HG21 VAL 1 3HG2 VAL 1 -0.006 0.901 -1.854
8 HG22 VAL 1 1HG2 VAL 1 -0.386 0.264 -3.455
9 HG23 VAL 1 2HG2 VAL 1 -0.794 -0.669 -2.015
10 H LYS 2 H LYS 2 3.511 0.673 -3.464
11 HA LYS 2 HA LYS 2 4.024 3.361 -2.562
12 HB2 LYS 2 2HB LYS 2 5.400 3.587 -4.457
13 HB3 LYS 2 3HB LYS 2 5.587 1.908 -3.971
14 HG2 LYS 2 2HG LYS 2 5.298 1.592 -6.191
15 HG3 LYS 2 3HG LYS 2 3.601 1.589 -5.705
16 HD2 LYS 2 2HD LYS 2 3.246 3.752 -6.490
17 HD3 LYS 2 3HD LYS 2 4.968 4.141 -6.480
18 HE2 LYS 2 2HE LYS 2 4.838 2.026 -8.223
19 HE3 LYS 2 3HE LYS 2 3.334 2.885 -8.551
20 HZ1 LYS 2 3HZ LYS 2 4.470 4.798 -9.166
21 HZ2 LYS 2 1HZ LYS 2 5.410 3.564 -9.841
22 HZ3 LYS 2 2HZ LYS 2 5.909 4.322 -8.414
23 H GLY 3 H GLY 3 1.588 1.776 -4.371
24 HA2 GLY 3 2HA GLY 3 0.762 3.890 -6.056
25 HA3 GLY 3 3HA GLY 3 -0.235 2.537 -5.543
26 H ARG 4 H ARG 4 -0.025 3.080 -2.721
27 HA ARG 4 HA ARG 4 -2.190 4.886 -2.455
28 HB2 ARG 4 2HB ARG 4 -0.409 3.434 -0.531
29 HB3 ARG 4 3HB ARG 4 -1.508 4.672 0.061
30 HG2 ARG 4 2HG ARG 4 -2.347 2.269 -1.546
31 HG3 ARG 4 3HG ARG 4 -2.423 2.385 0.214
32 HD2 ARG 4 2HD ARG 4 -3.670 4.671 -1.021
33 HD3 ARG 4 3HD ARG 4 -4.373 3.172 -1.629
34 HE ARG 4 HE ARG 4 -4.629 4.257 1.019
35 HH11 ARG 4 1HH1 ARG 4 -4.722 1.357 -0.905
36 HH12 ARG 4 2HH1 ARG 4 -5.735 0.497 0.206
37 HH21 ARG 4 1HH2 ARG 4 -5.963 3.135 2.490
38 HH22 ARG 4 2HH2 ARG 4 -6.441 1.509 2.136
39 H ILE 5 H ILE 5 1.280 5.168 -1.860
40 HA ILE 5 HA ILE 5 1.016 7.892 -0.907
41 HB ILE 5 HB ILE 5 2.725 6.373 0.047
42 HG12 ILE 5 2HG1 ILE 5 4.484 8.379 -1.139
43 HG13 ILE 5 3HG1 ILE 5 2.955 9.059 -0.594
44 HG21 ILE 5 1HG2 ILE 5 4.160 6.674 -2.583
45 HG22 ILE 5 2HG2 ILE 5 4.658 5.718 -1.188
46 HG23 ILE 5 3HG2 ILE 5 3.242 5.241 -2.123
47 HD11 ILE 5 3HD1 ILE 5 4.270 7.239 1.299
48 HD12 ILE 5 1HD1 ILE 5 5.121 8.748 0.970
49 HD13 ILE 5 2HD1 ILE 5 3.463 8.783 1.573
50 H ASP 6 H ASP 6 1.495 6.276 -3.887
51 HA ASP 6 HA ASP 6 2.928 8.299 -5.270
52 HB2 ASP 6 2HB ASP 6 2.973 6.146 -6.243
53 HB3 ASP 6 3HB ASP 6 1.220 5.988 -6.172
54 H ALA 7 H ALA 7 -0.488 7.673 -4.723
55 HA ALA 7 HA ALA 7 -1.574 9.453 -6.585
56 HB1 ALA 7 1HB ALA 7 -3.441 8.581 -5.770
57 HB2 ALA 7 2HB ALA 7 -2.528 7.844 -4.454
58 HB3 ALA 7 3HB ALA 7 -3.203 9.462 -4.261
59 HA PRO 8 HA PRO 8 -1.555 12.798 -3.090
60 HB2 PRO 8 2HB PRO 8 -0.047 12.280 -0.892
61 HB3 PRO 8 3HB PRO 8 -1.748 11.817 -1.021
62 HG2 PRO 8 2HG PRO 8 0.704 10.152 -1.436
63 HG3 PRO 8 3HG PRO 8 -0.796 9.742 -0.584
64 HD2 PRO 8 2HD PRO 8 -0.277 8.904 -3.106
65 HD3 PRO 8 3HD PRO 8 -1.921 9.258 -2.536
66 H ASP 9 H ASP 9 1.360 10.915 -3.647
67 HA ASP 9 HA ASP 9 3.121 13.181 -3.383
68 HB2 ASP 9 2HB ASP 9 3.900 10.924 -2.812
69 HB3 ASP 9 3HB ASP 9 3.640 10.408 -4.476
70 H PHE 10 H PHE 10 1.162 11.865 -5.836
71 HA PHE 10 HA PHE 10 2.605 12.445 -8.150
72 HB2 PHE 10 2HB PHE 10 0.039 11.532 -7.551
73 HB3 PHE 10 3HB PHE 10 -0.227 13.023 -8.450
74 HD1 PHE 10 HD1 PHE 10 2.042 10.062 -8.654
75 HD2 PHE 10 HD2 PHE 10 -0.525 12.771 -10.702
76 HE1 PHE 10 HE1 PHE 10 2.458 8.860 -10.760
77 HE2 PHE 10 HE2 PHE 10 -0.113 11.572 -12.810
78 HZ PHE 10 HZ PHE 10 1.380 9.613 -12.841
79 HA PRO 11 HA PRO 11 0.532 16.821 -8.094
80 HB2 PRO 11 2HB PRO 11 -0.602 17.607 -5.756
81 HB3 PRO 11 3HB PRO 11 -1.496 16.749 -7.017
82 HG2 PRO 11 2HG PRO 11 -0.271 15.681 -4.503
83 HG3 PRO 11 3HG PRO 11 -1.851 15.315 -5.222
84 HD2 PRO 11 2HD PRO 11 0.285 13.671 -5.484
85 HD3 PRO 11 3HD PRO 11 -0.956 13.833 -6.743
86 H SER 12 H SER 12 2.097 15.588 -5.208
87 HA SER 12 HA SER 12 3.325 18.117 -4.552
88 HB2 SER 12 2HB SER 12 4.036 15.396 -3.446
89 HB3 SER 12 3HB SER 12 4.335 16.969 -2.708
90 HG SER 12 HG SER 12 2.007 15.464 -2.815
91 H SER 13 H SER 13 4.005 15.488 -6.612
92 HA SER 13 HA SER 13 6.792 15.411 -6.607
93 HB2 SER 13 2HB SER 13 4.777 14.183 -8.055
94 HB3 SER 13 3HB SER 13 5.637 15.120 -9.277
95 HG SER 13 HG SER 13 6.362 12.825 -8.164
96 HA PRO 14 HA PRO 14 6.651 18.811 -10.060
97 HB2 PRO 14 2HB PRO 14 4.339 20.217 -10.281
98 HB3 PRO 14 3HB PRO 14 4.655 18.738 -11.197
99 HG2 PRO 14 2HG PRO 14 3.063 19.109 -8.689
100 HG3 PRO 14 3HG PRO 14 2.684 18.135 -10.121
101 HD2 PRO 14 2HD PRO 14 3.682 17.055 -7.847
102 HD3 PRO 14 3HD PRO 14 4.046 16.399 -9.456
103 H ALA 15 H ALA 15 5.002 19.217 -7.010
104 HA ALA 15 HA ALA 15 5.633 22.018 -6.763
105 HB1 ALA 15 1HB ALA 15 4.524 21.952 -4.696
106 HB2 ALA 15 2HB ALA 15 3.635 20.827 -5.724
107 HB3 ALA 15 3HB ALA 15 4.771 20.214 -4.522
108 H ILE 16 H ILE 16 6.892 18.972 -5.484
109 HA ILE 16 HA ILE 16 8.825 20.194 -3.779
110 HB ILE 16 HB ILE 16 8.524 17.384 -4.818
111 HG12 ILE 16 2HG1 ILE 16 8.450 18.147 -1.938
112 HG13 ILE 16 3HG1 ILE 16 7.073 18.593 -2.940
113 HG21 ILE 16 1HG2 ILE 16 10.656 18.515 -3.019
114 HG22 ILE 16 2HG2 ILE 16 10.293 16.794 -3.141
115 HG23 ILE 16 3HG2 ILE 16 10.872 17.675 -4.554
116 HD11 ILE 16 3HD1 ILE 16 8.155 15.815 -2.536
117 HD12 ILE 16 1HD1 ILE 16 6.681 16.481 -1.834
118 HD13 ILE 16 2HD1 ILE 16 6.799 16.245 -3.578
119 H LEU 17 H LEU 17 8.897 18.850 -7.046
120 HA LEU 17 HA LEU 17 11.709 19.140 -7.390
121 HB2 LEU 17 2HB LEU 17 10.282 17.578 -8.686
122 HB3 LEU 17 3HB LEU 17 9.560 18.967 -9.497
123 HG LEU 17 HG LEU 17 12.458 18.944 -9.718
124 HD11 LEU 17 1HD1 LEU 17 12.565 17.051 -11.287
125 HD12 LEU 17 2HD1 LEU 17 10.919 16.606 -10.836
126 HD13 LEU 17 3HD1 LEU 17 12.209 16.541 -9.636
127 HD21 LEU 17 3HD2 LEU 17 12.019 19.641 -11.870
128 HD22 LEU 17 1HD2 LEU 17 10.576 20.195 -11.019
129 HD23 LEU 17 2HD2 LEU 17 10.520 18.716 -11.979
130 H GLY 18 H GLY 18 8.934 21.203 -7.938
131 HA2 GLY 18 2HA GLY 18 10.430 23.159 -9.450
132 HA3 GLY 18 3HA GLY 18 8.771 23.314 -8.891
133 H LYS 19 H LYS 19 9.550 22.651 -6.112
134 HA LYS 19 HA LYS 19 10.213 25.335 -5.298
135 HB2 LYS 19 2HB LYS 19 9.408 22.820 -3.882
136 HB3 LYS 19 3HB LYS 19 10.105 24.148 -2.963
137 HG2 LYS 19 2HG LYS 19 8.317 25.552 -3.383
138 HG3 LYS 19 3HG LYS 19 7.805 24.641 -4.806
139 HD2 LYS 19 2HD LYS 19 6.533 23.254 -3.590
140 HD3 LYS 19 3HD LYS 19 7.775 23.064 -2.349
141 HE2 LYS 19 2HE LYS 19 6.206 25.605 -2.546
142 HE3 LYS 19 3HE LYS 19 5.515 24.195 -1.745
143 HZ1 LYS 19 3HZ LYS 19 7.068 26.023 -0.541
144 HZ2 LYS 19 1HZ LYS 19 8.210 24.836 -0.930
145 HZ3 LYS 19 2HZ LYS 19 6.861 24.437 0.009
146 H ALA 20 H ALA 20 11.819 22.237 -5.478
147 HA ALA 20 HA ALA 20 14.030 22.871 -3.821
148 HB1 ALA 20 1HB ALA 20 13.731 20.833 -6.022
149 HB2 ALA 20 2HB ALA 20 15.116 20.933 -4.933
150 HB3 ALA 20 3HB ALA 20 13.514 20.574 -4.291
151 H ALA 21 H ALA 21 13.331 23.366 -7.220
152 HA ALA 21 HA ALA 21 15.986 24.076 -7.980
153 HB1 ALA 21 1HB ALA 21 14.436 25.258 -9.864
154 HB2 ALA 21 2HB ALA 21 14.917 23.561 -9.886
155 HB3 ALA 21 3HB ALA 21 13.339 24.022 -9.247
156 H THR 22 H THR 22 13.127 25.897 -6.982
157 HA THR 22 HA THR 22 14.412 28.449 -7.365
158 HB THR 22 HB THR 22 11.980 28.231 -7.652
159 HG1 THR 22 HG1 THR 22 11.742 30.216 -6.918
160 HG21 THR 22 3HG2 THR 22 10.498 27.802 -5.846
161 HG22 THR 22 1HG2 THR 22 11.803 27.888 -4.663
162 HG23 THR 22 2HG2 THR 22 11.723 26.535 -5.791
163 H ASP 23 H ASP 23 14.113 26.136 -4.824
164 HA ASP 23 HA ASP 23 14.628 27.935 -2.658
165 HB2 ASP 23 2HB ASP 23 13.522 25.967 -2.019
166 HB3 ASP 23 3HB ASP 23 14.613 24.943 -2.949
167 H VAL 24 H VAL 24 16.586 25.826 -4.693
168 HA VAL 24 HA VAL 24 19.005 26.199 -3.230
169 HB VAL 24 HB VAL 24 18.599 25.294 -6.084
170 HG11 VAL 24 1HG1 VAL 24 20.822 25.822 -6.104
171 HG12 VAL 24 2HG1 VAL 24 21.012 25.569 -4.368
172 HG13 VAL 24 3HG1 VAL 24 20.910 24.184 -5.456
173 HG21 VAL 24 3HG2 VAL 24 19.411 23.335 -4.073
174 HG22 VAL 24 1HG2 VAL 24 17.811 24.023 -3.792
175 HG23 VAL 24 2HG2 VAL 24 18.174 23.229 -5.325
176 H VAL 25 H VAL 25 17.485 27.816 -5.953
177 HA VAL 25 HA VAL 25 19.734 29.390 -6.692
178 HB VAL 25 HB VAL 25 16.796 29.898 -7.185
179 HG11 VAL 25 1HG1 VAL 25 19.167 31.456 -7.771
180 HG12 VAL 25 2HG1 VAL 25 18.274 31.036 -9.234
181 HG13 VAL 25 3HG1 VAL 25 17.465 31.892 -7.921
182 HG21 VAL 25 3HG2 VAL 25 18.436 29.028 -9.427
183 HG22 VAL 25 1HG2 VAL 25 18.355 27.835 -8.131
184 HG23 VAL 25 2HG2 VAL 25 16.871 28.433 -8.871
185 H ALA 26 H ALA 26 17.038 29.860 -4.478
186 HA ALA 26 HA ALA 26 17.725 32.601 -3.915
187 HB1 ALA 26 1HB ALA 26 15.551 32.526 -3.420
188 HB2 ALA 26 2HB ALA 26 15.564 30.771 -3.241
189 HB3 ALA 26 3HB ALA 26 16.046 31.799 -1.892
190 H ALA 27 H ALA 27 18.328 29.456 -2.494
191 HA ALA 27 HA ALA 27 19.212 30.255 0.039
192 HB1 ALA 27 1HB ALA 27 20.693 28.065 -0.331
193 HB2 ALA 27 2HB ALA 27 18.961 28.003 0.002
194 HB3 ALA 27 3HB ALA 27 19.546 27.853 -1.655
195 H TRP 28 H TRP 28 20.656 30.618 -3.048
196 HA TRP 28 HA TRP 28 23.378 30.625 -2.396
197 HB2 TRP 28 2HB TRP 28 21.751 31.347 -4.646
198 HB3 TRP 28 3HB TRP 28 22.951 32.608 -4.374
199 HD1 TRP 28 HD1 TRP 28 22.747 28.813 -5.056
200 HE1 TRP 28 HE1 TRP 28 24.952 28.077 -6.160
201 HE3 TRP 28 HE3 TRP 28 25.324 33.216 -4.733
202 HZ2 TRP 28 HZ2 TRP 28 27.454 29.213 -6.808
203 HZ3 TRP 28 HZ3 TRP 28 27.618 33.308 -5.618
204 HH2 TRP 28 HH2 TRP 28 28.659 31.346 -6.633
205 H LYS 29 H LYS 29 20.880 32.944 -1.788
206 HA LYS 29 HA LYS 29 22.595 35.184 -1.334
207 HB2 LYS 29 2HB LYS 29 20.657 36.332 -0.603
208 HB3 LYS 29 3HB LYS 29 20.123 35.271 -1.899
209 HG2 LYS 29 2HG LYS 29 19.642 33.641 0.130
210 HG3 LYS 29 3HG LYS 29 19.534 35.171 1.004
211 HD2 LYS 29 2HD LYS 29 18.073 34.815 -1.582
212 HD3 LYS 29 3HD LYS 29 17.402 34.152 -0.090
213 HE2 LYS 29 2HE LYS 29 16.588 36.159 0.401
214 HE3 LYS 29 3HE LYS 29 18.235 36.783 0.487
215 HZ1 LYS 29 3HZ LYS 29 17.057 36.509 -2.168
216 HZ2 LYS 29 1HZ LYS 29 18.094 37.700 -1.561
217 HZ3 LYS 29 2HZ LYS 29 16.446 37.743 -1.185
218 H SER 30 H SER 30 21.314 32.589 0.634
219 HA SER 30 HA SER 30 21.969 33.735 3.154
220 HB2 SER 30 2HB SER 30 20.835 31.254 2.172
221 HB3 SER 30 3HB SER 30 21.988 30.953 3.472
222 HG SER 30 HG SER 30 19.796 32.757 3.570
Start of MODEL 5
1 H1 VAL 1 H VAL 1 0.679 0.502 -0.480
2 HA VAL 1 HA VAL 1 3.022 -0.619 -1.874
3 HB VAL 1 HB VAL 1 1.772 -0.497 -3.990
4 HG11 VAL 1 1HG1 VAL 1 0.110 -2.134 -2.114
5 HG12 VAL 1 2HG1 VAL 1 0.671 -2.525 -3.741
6 HG13 VAL 1 3HG1 VAL 1 1.806 -2.530 -2.390
7 HG21 VAL 1 3HG2 VAL 1 -0.001 0.860 -4.043
8 HG22 VAL 1 1HG2 VAL 1 -0.888 -0.447 -3.258
9 HG23 VAL 1 2HG2 VAL 1 -0.170 0.839 -2.287
10 H LYS 2 H LYS 2 3.412 0.790 -3.963
11 HA LYS 2 HA LYS 2 3.958 3.451 -3.004
12 HB2 LYS 2 2HB LYS 2 5.313 3.711 -4.913
13 HB3 LYS 2 3HB LYS 2 5.499 2.023 -4.455
14 HG2 LYS 2 2HG LYS 2 5.183 1.737 -6.674
15 HG3 LYS 2 3HG LYS 2 3.490 1.745 -6.174
16 HD2 LYS 2 2HD LYS 2 3.364 3.283 -7.847
17 HD3 LYS 2 3HD LYS 2 3.810 4.364 -6.524
18 HE2 LYS 2 2HE LYS 2 6.122 4.301 -7.187
19 HE3 LYS 2 3HE LYS 2 5.780 3.077 -8.409
20 HZ1 LYS 2 3HZ LYS 2 5.922 5.663 -8.953
21 HZ2 LYS 2 1HZ LYS 2 4.269 5.555 -8.605
22 HZ3 LYS 2 2HZ LYS 2 4.941 4.597 -9.826
23 H GLY 3 H GLY 3 1.493 1.933 -4.833
24 HA2 GLY 3 2HA GLY 3 0.675 4.112 -6.445
25 HA3 GLY 3 3HA GLY 3 -0.322 2.739 -5.987
26 H ARG 4 H ARG 4 -0.120 3.162 -3.147
27 HA ARG 4 HA ARG 4 -2.282 4.958 -2.808
28 HB2 ARG 4 2HB ARG 4 -0.538 3.359 -0.988
29 HB3 ARG 4 3HB ARG 4 -1.520 4.641 -0.292
30 HG2 ARG 4 2HG ARG 4 -3.405 3.464 -0.491
31 HG3 ARG 4 3HG ARG 4 -2.994 2.903 -2.113
32 HD2 ARG 4 2HD ARG 4 -2.078 0.985 -1.358
33 HD3 ARG 4 3HD ARG 4 -1.380 1.759 0.064
34 HE ARG 4 HE ARG 4 -4.093 1.700 0.510
35 HH11 ARG 4 1HH1 ARG 4 -1.586 -0.638 -0.100
36 HH12 ARG 4 2HH1 ARG 4 -2.358 -1.896 0.808
37 HH21 ARG 4 1HH2 ARG 4 -5.119 0.052 1.708
38 HH22 ARG 4 2HH2 ARG 4 -4.368 -1.502 1.835
39 H ILE 5 H ILE 5 1.187 5.212 -2.200
40 HA ILE 5 HA ILE 5 0.927 7.892 -1.130
41 HB ILE 5 HB ILE 5 2.636 6.323 -0.250
42 HG12 ILE 5 2HG1 ILE 5 4.223 8.530 -1.456
43 HG13 ILE 5 3HG1 ILE 5 2.810 8.984 -0.511
44 HG21 ILE 5 1HG2 ILE 5 4.556 5.714 -1.509
45 HG22 ILE 5 2HG2 ILE 5 3.150 5.325 -2.498
46 HG23 ILE 5 3HG2 ILE 5 4.097 6.772 -2.843
47 HD11 ILE 5 3HD1 ILE 5 3.742 8.341 1.441
48 HD12 ILE 5 1HD1 ILE 5 4.652 7.022 0.704
49 HD13 ILE 5 2HD1 ILE 5 5.226 8.683 0.551
50 H ASP 6 H ASP 6 1.401 6.407 -4.178
51 HA ASP 6 HA ASP 6 2.834 8.487 -5.473
52 HB2 ASP 6 2HB ASP 6 2.878 6.381 -6.542
53 HB3 ASP 6 3HB ASP 6 1.125 6.217 -6.471
54 H ALA 7 H ALA 7 -0.582 7.840 -4.954
55 HA ALA 7 HA ALA 7 -1.668 9.701 -6.734
56 HB1 ALA 7 1HB ALA 7 -2.641 7.949 -4.785
57 HB2 ALA 7 2HB ALA 7 -3.230 9.547 -4.325
58 HB3 ALA 7 3HB ALA 7 -3.579 8.907 -5.931
59 HA PRO 8 HA PRO 8 -1.643 12.889 -3.095
60 HB2 PRO 8 2HB PRO 8 -0.134 12.274 -0.924
61 HB3 PRO 8 3HB PRO 8 -1.836 11.819 -1.071
62 HG2 PRO 8 2HG PRO 8 0.615 10.171 -1.561
63 HG3 PRO 8 3HG PRO 8 -0.884 9.725 -0.726
64 HD2 PRO 8 2HD PRO 8 -0.369 8.998 -3.283
65 HD3 PRO 8 3HD PRO 8 -2.012 9.329 -2.697
66 H ASP 9 H ASP 9 1.269 11.030 -3.737
67 HA ASP 9 HA ASP 9 3.033 13.281 -3.374
68 HB2 ASP 9 2HB ASP 9 3.711 10.903 -2.951
69 HB3 ASP 9 3HB ASP 9 3.634 10.626 -4.689
70 H PHE 10 H PHE 10 1.070 12.076 -5.882
71 HA PHE 10 HA PHE 10 2.511 12.757 -8.170
72 HB2 PHE 10 2HB PHE 10 -0.077 11.851 -7.592
73 HB3 PHE 10 3HB PHE 10 -0.303 13.355 -8.479
74 HD1 PHE 10 HD2 PHE 10 1.405 13.545 -10.572
75 HD2 PHE 10 HD1 PHE 10 -0.062 9.942 -8.845
76 HE1 PHE 10 HE2 PHE 10 1.830 12.362 -12.687
77 HE2 PHE 10 HE1 PHE 10 0.362 8.753 -10.957
78 HZ PHE 10 HZ PHE 10 1.308 9.964 -12.882
79 HA PRO 11 HA PRO 11 0.442 17.128 -7.918
80 HB2 PRO 11 2HB PRO 11 -0.689 17.810 -5.546
81 HB3 PRO 11 3HB PRO 11 -1.585 17.010 -6.843
82 HG2 PRO 11 2HG PRO 11 -0.358 15.830 -4.380
83 HG3 PRO 11 3HG PRO 11 -1.939 15.497 -5.112
84 HD2 PRO 11 2HD PRO 11 0.195 13.865 -5.450
85 HD3 PRO 11 3HD PRO 11 -1.047 14.083 -6.699
86 H SER 12 H SER 12 2.018 15.763 -5.100
87 HA SER 12 HA SER 12 3.245 18.260 -4.328
88 HB2 SER 12 2HB SER 12 2.707 15.866 -3.022
89 HB3 SER 12 3HB SER 12 4.461 15.865 -3.198
90 HG SER 12 HG SER 12 3.335 17.002 -1.306
91 H SER 13 H SER 13 3.924 15.720 -6.502
92 HA SER 13 HA SER 13 6.711 15.655 -6.509
93 HB2 SER 13 2HB SER 13 6.275 14.125 -8.085
94 HB3 SER 13 3HB SER 13 4.596 14.661 -8.149
95 HG SER 13 HG SER 13 5.155 15.205 -10.113
96 HA PRO 14 HA PRO 14 6.539 19.195 -9.818
97 HB2 PRO 14 2HB PRO 14 4.224 20.606 -9.958
98 HB3 PRO 14 3HB PRO 14 4.533 19.168 -10.938
99 HG2 PRO 14 2HG PRO 14 2.964 19.430 -8.403
100 HG3 PRO 14 3HG PRO 14 2.572 18.517 -9.872
101 HD2 PRO 14 2HD PRO 14 3.591 17.343 -7.655
102 HD3 PRO 14 3HD PRO 14 3.942 16.756 -9.294
103 H ALA 15 H ALA 15 4.912 19.471 -6.740
104 HA ALA 15 HA ALA 15 5.547 22.258 -6.380
105 HB1 ALA 15 1HB ALA 15 4.854 20.640 -4.017
106 HB2 ALA 15 2HB ALA 15 4.199 22.180 -4.573
107 HB3 ALA 15 3HB ALA 15 3.653 20.673 -5.308
108 H ILE 16 H ILE 16 6.812 19.160 -5.239
109 HA ILE 16 HA ILE 16 8.756 20.307 -3.495
110 HB ILE 16 HB ILE 16 8.449 17.545 -4.657
111 HG12 ILE 16 2HG1 ILE 16 8.388 18.201 -1.746
112 HG13 ILE 16 3HG1 ILE 16 6.999 18.653 -2.728
113 HG21 ILE 16 1HG2 ILE 16 10.593 18.596 -2.823
114 HG22 ILE 16 2HG2 ILE 16 10.229 16.882 -3.019
115 HG23 ILE 16 3HG2 ILE 16 10.798 17.825 -4.396
116 HD11 ILE 16 3HD1 ILE 16 6.462 16.559 -1.868
117 HD12 ILE 16 1HD1 ILE 16 6.995 16.227 -3.515
118 HD13 ILE 16 2HD1 ILE 16 8.080 15.922 -2.159
119 H LEU 17 H LEU 17 8.808 19.109 -6.819
120 HA LEU 17 HA LEU 17 11.618 19.417 -7.167
121 HB2 LEU 17 2HB LEU 17 9.299 18.730 -8.832
122 HB3 LEU 17 3HB LEU 17 10.612 19.534 -9.691
123 HG LEU 17 HG LEU 17 11.903 17.565 -8.247
124 HD11 LEU 17 1HD1 LEU 17 9.248 16.544 -9.232
125 HD12 LEU 17 2HD1 LEU 17 9.905 16.449 -7.598
126 HD13 LEU 17 3HD1 LEU 17 10.635 15.506 -8.898
127 HD21 LEU 17 3HD2 LEU 17 11.989 16.421 -10.507
128 HD22 LEU 17 1HD2 LEU 17 12.537 18.096 -10.455
129 HD23 LEU 17 2HD2 LEU 17 10.937 17.711 -11.091
130 H GLY 18 H GLY 18 8.838 21.499 -7.607
131 HA2 GLY 18 2HA GLY 18 10.323 23.521 -9.040
132 HA3 GLY 18 3HA GLY 18 8.668 23.650 -8.464
133 H LYS 19 H LYS 19 9.468 22.864 -5.722
134 HA LYS 19 HA LYS 19 10.130 25.510 -4.794
135 HB2 LYS 19 2HB LYS 19 9.344 22.932 -3.488
136 HB3 LYS 19 3HB LYS 19 10.048 24.216 -2.514
137 HG2 LYS 19 2HG LYS 19 8.258 25.646 -2.873
138 HG3 LYS 19 3HG LYS 19 7.720 24.769 -4.308
139 HD2 LYS 19 2HD LYS 19 6.614 23.192 -3.096
140 HD3 LYS 19 3HD LYS 19 7.747 23.280 -1.745
141 HE2 LYS 19 2HE LYS 19 6.188 25.723 -2.184
142 HE3 LYS 19 3HE LYS 19 5.222 24.314 -1.751
143 HZ1 LYS 19 3HZ LYS 19 5.808 24.663 0.341
144 HZ2 LYS 19 1HZ LYS 19 6.858 25.915 -0.097
145 HZ3 LYS 19 2HZ LYS 19 7.415 24.318 -0.061
146 H ALA 20 H ALA 20 11.741 22.424 -5.112
147 HA ALA 20 HA ALA 20 13.962 22.980 -3.448
148 HB1 ALA 20 1HB ALA 20 13.374 20.710 -4.114
149 HB2 ALA 20 2HB ALA 20 13.761 21.093 -5.792
150 HB3 ALA 20 3HB ALA 20 15.034 21.093 -4.572
151 H ALA 21 H ALA 21 13.290 23.575 -6.851
152 HA ALA 21 HA ALA 21 15.928 24.385 -7.545
153 HB1 ALA 21 1HB ALA 21 14.507 23.654 -9.298
154 HB2 ALA 21 2HB ALA 21 13.262 24.828 -8.868
155 HB3 ALA 21 3HB ALA 21 14.790 25.376 -9.557
156 H THR 22 H THR 22 13.036 26.096 -6.465
157 HA THR 22 HA THR 22 14.242 28.695 -6.766
158 HB THR 22 HB THR 22 11.708 27.933 -5.302
159 HG1 THR 22 HG1 THR 22 12.110 28.864 -7.969
160 HG21 THR 22 3HG2 THR 22 13.083 30.485 -5.829
161 HG22 THR 22 1HG2 THR 22 11.937 30.056 -4.560
162 HG23 THR 22 2HG2 THR 22 11.353 30.473 -6.171
163 H ASP 23 H ASP 23 14.034 26.283 -4.303
164 HA ASP 23 HA ASP 23 14.570 28.024 -2.091
165 HB2 ASP 23 2HB ASP 23 13.444 25.966 -1.620
166 HB3 ASP 23 3HB ASP 23 14.703 25.024 -2.414
167 H VAL 24 H VAL 24 16.501 25.979 -4.216
168 HA VAL 24 HA VAL 24 18.943 26.305 -2.788
169 HB VAL 24 HB VAL 24 18.489 25.527 -5.672
170 HG11 VAL 24 1HG1 VAL 24 20.707 26.021 -5.741
171 HG12 VAL 24 2HG1 VAL 24 20.928 25.783 -4.007
172 HG13 VAL 24 3HG1 VAL 24 20.820 24.389 -5.083
173 HG21 VAL 24 3HG2 VAL 24 19.342 23.483 -3.766
174 HG22 VAL 24 1HG2 VAL 24 17.746 24.152 -3.425
175 HG23 VAL 24 2HG2 VAL 24 18.081 23.429 -4.998
176 H VAL 25 H VAL 25 17.378 28.033 -5.418
177 HA VAL 25 HA VAL 25 19.617 29.652 -6.102
178 HB VAL 25 HB VAL 25 16.674 30.148 -6.579
179 HG11 VAL 25 1HG1 VAL 25 19.125 31.448 -7.759
180 HG12 VAL 25 2HG1 VAL 25 17.488 31.644 -8.390
181 HG13 VAL 25 3HG1 VAL 25 17.884 32.215 -6.768
182 HG21 VAL 25 3HG2 VAL 25 16.768 28.755 -8.325
183 HG22 VAL 25 1HG2 VAL 25 18.332 29.381 -8.847
184 HG23 VAL 25 2HG2 VAL 25 18.251 28.136 -7.601
185 H ALA 26 H ALA 26 16.878 30.040 -3.913
186 HA ALA 26 HA ALA 26 17.578 32.749 -3.224
187 HB1 ALA 26 1HB ALA 26 15.771 31.232 -1.451
188 HB2 ALA 26 2HB ALA 26 15.589 32.838 -2.158
189 HB3 ALA 26 3HB ALA 26 15.254 31.405 -3.128
190 H ALA 27 H ALA 27 18.268 29.559 -2.032
191 HA ALA 27 HA ALA 27 19.211 30.449 0.542
192 HB1 ALA 27 1HB ALA 27 19.435 27.788 -0.856
193 HB2 ALA 27 2HB ALA 27 19.968 28.102 0.796
194 HB3 ALA 27 3HB ALA 27 18.260 28.246 0.378
195 H TRP 28 H TRP 28 20.606 29.658 -2.582
196 HA TRP 28 HA TRP 28 23.315 29.630 -1.722
197 HB2 TRP 28 2HB TRP 28 22.617 28.545 -3.802
198 HB3 TRP 28 3HB TRP 28 22.149 30.105 -4.473
199 HD1 TRP 28 HD1 TRP 28 24.065 31.660 -5.420
200 HE1 TRP 28 HE1 TRP 28 26.552 31.254 -5.945
201 HE3 TRP 28 HE3 TRP 28 24.700 27.225 -2.958
202 HZ2 TRP 28 HZ2 TRP 28 28.522 29.311 -5.388
203 HZ3 TRP 28 HZ3 TRP 28 26.917 26.158 -3.003
204 HH2 TRP 28 HH2 TRP 28 28.787 27.181 -4.194
205 H LYS 29 H LYS 29 21.193 32.118 -3.055
206 HA LYS 29 HA LYS 29 23.247 34.108 -3.208
207 HB2 LYS 29 2HB LYS 29 21.331 35.670 -3.586
208 HB3 LYS 29 3HB LYS 29 21.372 34.303 -4.692
209 HG2 LYS 29 2HG LYS 29 19.239 33.981 -4.174
210 HG3 LYS 29 3HG LYS 29 19.805 33.404 -2.604
211 HD2 LYS 29 2HD LYS 29 18.388 35.027 -1.876
212 HD3 LYS 29 3HD LYS 29 19.827 36.024 -2.106
213 HE2 LYS 29 2HE LYS 29 18.292 37.282 -3.238
214 HE3 LYS 29 3HE LYS 29 18.859 36.248 -4.548
215 HZ1 LYS 29 3HZ LYS 29 16.260 36.540 -3.640
216 HZ2 LYS 29 1HZ LYS 29 16.740 34.986 -3.173
217 HZ3 LYS 29 2HZ LYS 29 16.826 35.445 -4.799
218 H SER 30 H SER 30 21.000 33.032 -0.786
219 HA SER 30 HA SER 30 21.020 35.319 0.867
220 HB2 SER 30 2HB SER 30 19.340 33.940 1.558
221 HB3 SER 30 3HB SER 30 20.234 32.475 1.156
222 HG SER 30 HG SER 30 20.899 32.373 3.141
Start of MODEL 6
1 H1 VAL 1 H VAL 1 1.010 -0.707 0.765
2 HA VAL 1 HA VAL 1 2.912 -0.475 -0.697
3 HB VAL 1 HB VAL 1 1.888 -0.539 -2.962
4 HG11 VAL 1 1HG1 VAL 1 0.397 -2.520 -2.481
5 HG12 VAL 1 2HG1 VAL 1 2.026 -2.601 -1.807
6 HG13 VAL 1 3HG1 VAL 1 0.660 -2.192 -0.769
7 HG21 VAL 1 3HG2 VAL 1 -0.294 -0.020 -3.396
8 HG22 VAL 1 1HG2 VAL 1 -0.826 -0.402 -1.759
9 HG23 VAL 1 2HG2 VAL 1 0.017 1.113 -2.081
10 H LYS 2 H LYS 2 3.354 0.752 -2.963
11 HA LYS 2 HA LYS 2 3.856 3.480 -2.185
12 HB2 LYS 2 2HB LYS 2 5.265 3.612 -4.068
13 HB3 LYS 2 3HB LYS 2 5.447 1.963 -3.483
14 HG2 LYS 2 2HG LYS 2 5.198 1.514 -5.684
15 HG3 LYS 2 3HG LYS 2 3.491 1.544 -5.235
16 HD2 LYS 2 2HD LYS 2 3.404 2.957 -7.017
17 HD3 LYS 2 3HD LYS 2 3.807 4.134 -5.765
18 HE2 LYS 2 2HE LYS 2 6.126 4.068 -6.363
19 HE3 LYS 2 3HE LYS 2 5.852 2.724 -7.470
20 HZ1 LYS 2 3HZ LYS 2 4.635 5.409 -7.801
21 HZ2 LYS 2 1HZ LYS 2 4.606 4.131 -8.909
22 HZ3 LYS 2 2HZ LYS 2 6.062 4.920 -8.567
23 H GLY 3 H GLY 3 1.455 1.813 -3.969
24 HA2 GLY 3 2HA GLY 3 0.671 3.862 -5.758
25 HA3 GLY 3 3HA GLY 3 -0.330 2.518 -5.231
26 H ARG 4 H ARG 4 -0.214 3.148 -2.424
27 HA ARG 4 HA ARG 4 -2.396 4.946 -2.280
28 HB2 ARG 4 2HB ARG 4 -0.619 3.989 -0.030
29 HB3 ARG 4 3HB ARG 4 -2.232 4.670 0.130
30 HG2 ARG 4 2HG ARG 4 -1.510 2.057 -1.177
31 HG3 ARG 4 3HG ARG 4 -2.321 2.276 0.374
32 HD2 ARG 4 2HD ARG 4 -4.018 3.653 -1.108
33 HD3 ARG 4 3HD ARG 4 -3.363 2.635 -2.390
34 HE ARG 4 HE ARG 4 -5.118 1.830 -0.270
35 HH11 ARG 4 1HH1 ARG 4 -2.672 0.759 -2.504
36 HH12 ARG 4 2HH1 ARG 4 -3.198 -0.891 -2.492
37 HH21 ARG 4 1HH2 ARG 4 -5.821 -0.340 -0.246
38 HH22 ARG 4 2HH2 ARG 4 -4.990 -1.515 -1.208
39 H ILE 5 H ILE 5 1.052 5.272 -1.592
40 HA ILE 5 HA ILE 5 0.743 8.021 -0.728
41 HB ILE 5 HB ILE 5 2.435 6.545 0.318
42 HG12 ILE 5 2HG1 ILE 5 4.012 8.677 -1.049
43 HG13 ILE 5 3HG1 ILE 5 2.608 9.163 -0.104
44 HG21 ILE 5 1HG2 ILE 5 4.386 5.835 -0.832
45 HG22 ILE 5 2HG2 ILE 5 3.008 5.368 -1.828
46 HG23 ILE 5 3HG2 ILE 5 3.969 6.783 -2.260
47 HD11 ILE 5 3HD1 ILE 5 4.340 9.320 1.410
48 HD12 ILE 5 1HD1 ILE 5 3.664 7.730 1.762
49 HD13 ILE 5 2HD1 ILE 5 5.139 7.869 0.805
50 H ASP 6 H ASP 6 1.316 6.322 -3.645
51 HA ASP 6 HA ASP 6 2.774 8.314 -5.046
52 HB2 ASP 6 2HB ASP 6 2.848 6.118 -5.938
53 HB3 ASP 6 3HB ASP 6 1.092 5.979 -5.944
54 H ALA 7 H ALA 7 -0.652 7.678 -4.580
55 HA ALA 7 HA ALA 7 -1.697 9.396 -6.522
56 HB1 ALA 7 1HB ALA 7 -3.572 9.549 -4.585
57 HB2 ALA 7 2HB ALA 7 -3.402 8.184 -5.690
58 HB3 ALA 7 3HB ALA 7 -2.698 8.104 -4.075
59 HA PRO 8 HA PRO 8 -1.799 12.840 -3.126
60 HB2 PRO 8 2HB PRO 8 -0.351 12.397 -0.873
61 HB3 PRO 8 3HB PRO 8 -2.044 11.918 -1.036
62 HG2 PRO 8 2HG PRO 8 0.430 10.260 -1.333
63 HG3 PRO 8 3HG PRO 8 -1.090 9.863 -0.512
64 HD2 PRO 8 2HD PRO 8 -0.495 8.957 -2.993
65 HD3 PRO 8 3HD PRO 8 -2.157 9.315 -2.480
66 H ASP 9 H ASP 9 1.143 10.964 -3.546
67 HA ASP 9 HA ASP 9 2.881 13.250 -3.298
68 HB2 ASP 9 2HB ASP 9 3.581 10.934 -2.673
69 HB3 ASP 9 3HB ASP 9 3.518 10.498 -4.378
70 H PHE 10 H PHE 10 1.001 11.850 -5.766
71 HA PHE 10 HA PHE 10 2.504 12.374 -8.055
72 HB2 PHE 10 2HB PHE 10 -0.069 11.457 -7.504
73 HB3 PHE 10 3HB PHE 10 -0.323 12.921 -8.448
74 HD1 PHE 10 HD2 PHE 10 1.803 9.856 -8.482
75 HD2 PHE 10 HD1 PHE 10 -0.388 12.729 -10.731
76 HE1 PHE 10 HE2 PHE 10 2.285 8.604 -10.544
77 HE2 PHE 10 HE1 PHE 10 0.090 11.481 -12.797
78 HZ PHE 10 HZ PHE 10 1.429 9.416 -12.705
79 HA PRO 11 HA PRO 11 0.401 16.734 -8.183
80 HB2 PRO 11 2HB PRO 11 -0.804 17.578 -5.901
81 HB3 PRO 11 3HB PRO 11 -1.656 16.678 -7.161
82 HG2 PRO 11 2HG PRO 11 -0.495 15.690 -4.584
83 HG3 PRO 11 3HG PRO 11 -2.051 15.292 -5.336
84 HD2 PRO 11 2HD PRO 11 0.102 13.658 -5.491
85 HD3 PRO 11 3HD PRO 11 -1.104 13.774 -6.789
86 H SER 12 H SER 12 1.894 15.595 -5.221
87 HA SER 12 HA SER 12 3.086 18.151 -4.603
88 HB2 SER 12 2HB SER 12 2.397 16.301 -2.930
89 HB3 SER 12 3HB SER 12 3.915 15.527 -3.383
90 HG SER 12 HG SER 12 5.022 17.087 -2.422
91 H SER 13 H SER 13 3.841 15.469 -6.567
92 HA SER 13 HA SER 13 6.627 15.413 -6.482
93 HB2 SER 13 2HB SER 13 4.637 14.165 -7.983
94 HB3 SER 13 3HB SER 13 5.603 15.030 -9.178
95 HG SER 13 HG SER 13 7.429 13.961 -8.427
96 HA PRO 14 HA PRO 14 6.559 18.714 -10.033
97 HB2 PRO 14 2HB PRO 14 4.245 20.097 -10.354
98 HB3 PRO 14 3HB PRO 14 4.595 18.596 -11.219
99 HG2 PRO 14 2HG PRO 14 2.934 19.026 -8.766
100 HG3 PRO 14 3HG PRO 14 2.599 18.010 -10.180
101 HD2 PRO 14 2HD PRO 14 3.542 17.001 -7.851
102 HD3 PRO 14 3HD PRO 14 3.953 16.302 -9.430
103 H ALA 15 H ALA 15 4.848 19.182 -7.030
104 HA ALA 15 HA ALA 15 5.443 21.997 -6.848
105 HB1 ALA 15 1HB ALA 15 3.864 20.064 -5.363
106 HB2 ALA 15 2HB ALA 15 4.753 21.165 -4.309
107 HB3 ALA 15 3HB ALA 15 3.655 21.807 -5.531
108 H ILE 16 H ILE 16 6.677 19.004 -5.416
109 HA ILE 16 HA ILE 16 8.597 20.329 -3.759
110 HB ILE 16 HB ILE 16 7.648 18.051 -3.290
111 HG12 ILE 16 2HG1 ILE 16 9.876 17.094 -2.557
112 HG13 ILE 16 3HG1 ILE 16 10.642 18.436 -3.400
113 HG21 ILE 16 1HG2 ILE 16 9.564 17.203 -5.459
114 HG22 ILE 16 2HG2 ILE 16 8.650 16.127 -4.404
115 HG23 ILE 16 3HG2 ILE 16 7.804 17.156 -5.559
116 HD11 ILE 16 3HD1 ILE 16 9.370 18.351 -0.799
117 HD12 ILE 16 1HD1 ILE 16 10.498 19.526 -1.473
118 HD13 ILE 16 2HD1 ILE 16 8.772 19.671 -1.805
119 H LEU 17 H LEU 17 8.613 18.903 -6.964
120 HA LEU 17 HA LEU 17 11.458 19.019 -7.281
121 HB2 LEU 17 2HB LEU 17 9.840 17.483 -8.495
122 HB3 LEU 17 3HB LEU 17 9.416 18.880 -9.484
123 HG LEU 17 HG LEU 17 12.223 18.669 -9.568
124 HD11 LEU 17 1HD1 LEU 17 11.991 16.376 -8.745
125 HD12 LEU 17 2HD1 LEU 17 12.563 16.416 -10.413
126 HD13 LEU 17 3HD1 LEU 17 10.881 16.015 -10.068
127 HD21 LEU 17 3HD2 LEU 17 11.666 17.970 -11.968
128 HD22 LEU 17 1HD2 LEU 17 11.070 19.532 -11.408
129 HD23 LEU 17 2HD2 LEU 17 9.977 18.150 -11.490
130 H GLY 18 H GLY 18 8.757 21.136 -7.987
131 HA2 GLY 18 2HA GLY 18 10.349 22.957 -9.572
132 HA3 GLY 18 3HA GLY 18 8.680 23.190 -9.071
133 H LYS 19 H LYS 19 9.377 22.659 -6.236
134 HA LYS 19 HA LYS 19 10.084 25.368 -5.554
135 HB2 LYS 19 2HB LYS 19 9.287 22.946 -3.955
136 HB3 LYS 19 3HB LYS 19 9.840 24.421 -3.173
137 HG2 LYS 19 2HG LYS 19 7.537 24.335 -5.104
138 HG3 LYS 19 3HG LYS 19 7.358 24.168 -3.356
139 HD2 LYS 19 2HD LYS 19 8.787 26.394 -3.359
140 HD3 LYS 19 3HD LYS 19 8.100 26.550 -4.978
141 HE2 LYS 19 2HE LYS 19 5.927 26.685 -4.180
142 HE3 LYS 19 3HE LYS 19 6.334 25.910 -2.650
143 HZ1 LYS 19 3HZ LYS 19 6.901 27.853 -1.733
144 HZ2 LYS 19 1HZ LYS 19 6.022 28.559 -2.994
145 HZ3 LYS 19 2HZ LYS 19 7.702 28.406 -3.117
146 H ALA 20 H ALA 20 11.626 22.237 -5.549
147 HA ALA 20 HA ALA 20 13.810 22.902 -3.866
148 HB1 ALA 20 1HB ALA 20 13.186 20.702 -5.765
149 HB2 ALA 20 2HB ALA 20 14.862 20.920 -5.259
150 HB3 ALA 20 3HB ALA 20 13.607 20.636 -4.053
151 H ALA 21 H ALA 21 13.205 23.244 -7.304
152 HA ALA 21 HA ALA 21 15.892 23.865 -8.028
153 HB1 ALA 21 1HB ALA 21 15.063 23.608 -10.067
154 HB2 ALA 21 2HB ALA 21 13.450 23.433 -9.374
155 HB3 ALA 21 3HB ALA 21 14.035 25.026 -9.856
156 H THR 22 H THR 22 13.048 25.789 -7.189
157 HA THR 22 HA THR 22 14.393 28.294 -7.663
158 HB THR 22 HB THR 22 11.964 28.108 -7.997
159 HG1 THR 22 HG1 THR 22 12.599 29.857 -5.836
160 HG21 THR 22 3HG2 THR 22 11.708 27.919 -5.001
161 HG22 THR 22 1HG2 THR 22 11.635 26.510 -6.059
162 HG23 THR 22 2HG2 THR 22 10.432 27.792 -6.212
163 H ASP 23 H ASP 23 13.987 26.112 -5.022
164 HA ASP 23 HA ASP 23 14.490 28.003 -2.933
165 HB2 ASP 23 2HB ASP 23 14.311 25.023 -3.112
166 HB3 ASP 23 3HB ASP 23 15.044 25.749 -1.685
167 H VAL 24 H VAL 24 16.449 25.759 -4.816
168 HA VAL 24 HA VAL 24 18.841 26.151 -3.314
169 HB VAL 24 HB VAL 24 18.481 25.119 -6.131
170 HG11 VAL 24 1HG1 VAL 24 20.861 25.197 -4.299
171 HG12 VAL 24 2HG1 VAL 24 20.734 24.046 -5.631
172 HG13 VAL 24 3HG1 VAL 24 20.731 25.779 -5.959
173 HG21 VAL 24 3HG2 VAL 24 17.603 23.973 -3.812
174 HG22 VAL 24 1HG2 VAL 24 18.010 23.096 -5.287
175 HG23 VAL 24 2HG2 VAL 24 19.201 23.251 -3.996
176 H VAL 25 H VAL 25 17.420 27.667 -6.147
177 HA VAL 25 HA VAL 25 19.719 29.157 -6.905
178 HB VAL 25 HB VAL 25 16.806 29.701 -7.494
179 HG11 VAL 25 1HG1 VAL 25 19.259 31.136 -8.155
180 HG12 VAL 25 2HG1 VAL 25 18.278 30.731 -9.565
181 HG13 VAL 25 3HG1 VAL 25 17.579 31.663 -8.240
182 HG21 VAL 25 3HG2 VAL 25 18.324 27.556 -8.296
183 HG22 VAL 25 1HG2 VAL 25 16.892 28.170 -9.122
184 HG23 VAL 25 2HG2 VAL 25 18.497 28.683 -9.641
185 H ALA 26 H ALA 26 16.983 29.788 -4.783
186 HA ALA 26 HA ALA 26 17.715 32.538 -4.334
187 HB1 ALA 26 1HB ALA 26 15.717 32.746 -3.323
188 HB2 ALA 26 2HB ALA 26 15.380 31.197 -4.098
189 HB3 ALA 26 3HB ALA 26 15.902 31.245 -2.414
190 H ALA 27 H ALA 27 18.218 29.453 -2.752
191 HA ALA 27 HA ALA 27 19.059 30.356 -0.238
192 HB1 ALA 27 1HB ALA 27 20.475 28.129 -0.407
193 HB2 ALA 27 2HB ALA 27 18.720 28.100 -0.226
194 HB3 ALA 27 3HB ALA 27 19.447 27.869 -1.816
195 H TRP 28 H TRP 28 20.580 30.546 -3.302
196 HA TRP 28 HA TRP 28 23.286 30.524 -2.590
197 HB2 TRP 28 2HB TRP 28 21.896 30.838 -4.928
198 HB3 TRP 28 3HB TRP 28 22.560 32.452 -4.689
199 HD1 TRP 28 HD1 TRP 28 23.888 28.798 -4.706
200 HE1 TRP 28 HE1 TRP 28 26.237 28.822 -5.759
201 HE3 TRP 28 HE3 TRP 28 24.387 33.829 -5.466
202 HZ2 TRP 28 HZ2 TRP 28 28.060 30.721 -6.776
203 HZ3 TRP 28 HZ3 TRP 28 26.464 34.668 -6.483
204 HH2 TRP 28 HH2 TRP 28 28.262 33.145 -7.124
205 H LYS 29 H LYS 29 20.829 32.839 -1.982
206 HA LYS 29 HA LYS 29 22.457 35.151 -1.728
207 HB2 LYS 29 2HB LYS 29 20.553 36.178 -0.679
208 HB3 LYS 29 3HB LYS 29 19.976 35.180 -2.007
209 HG2 LYS 29 2HG LYS 29 18.481 34.558 -0.426
210 HG3 LYS 29 3HG LYS 29 19.753 33.389 -0.063
211 HD2 LYS 29 2HD LYS 29 20.054 34.247 1.971
212 HD3 LYS 29 3HD LYS 29 20.213 35.880 1.320
213 HE2 LYS 29 2HE LYS 29 17.962 36.335 1.560
214 HE3 LYS 29 3HE LYS 29 17.508 34.632 1.524
215 HZ1 LYS 29 3HZ LYS 29 17.446 34.706 3.723
216 HZ2 LYS 29 1HZ LYS 29 18.072 36.277 3.758
217 HZ3 LYS 29 2HZ LYS 29 19.120 34.950 3.743
218 H SER 30 H SER 30 21.564 32.553 0.445
219 HA SER 30 HA SER 30 22.401 33.769 2.854
220 HB2 SER 30 2HB SER 30 21.148 31.928 3.360
221 HB3 SER 30 3HB SER 30 21.724 31.021 1.963
222 HG SER 30 HG SER 30 22.512 30.157 3.929
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.011 -0.885 -0.182
2 HA VAL 1 HA VAL 1 3.187 -0.596 -1.467
3 HB VAL 1 HB VAL 1 2.090 -0.474 -3.721
4 HG11 VAL 1 1HG1 VAL 1 0.420 -2.485 -2.927
5 HG12 VAL 1 2HG1 VAL 1 2.148 -2.662 -3.239
6 HG13 VAL 1 3HG1 VAL 1 1.570 -2.411 -1.592
7 HG21 VAL 1 3HG2 VAL 1 0.260 1.050 -3.043
8 HG22 VAL 1 1HG2 VAL 1 -0.317 -0.397 -3.869
9 HG23 VAL 1 2HG2 VAL 1 -0.456 -0.268 -2.116
10 H LYS 2 H LYS 2 3.593 0.769 -3.653
11 HA LYS 2 HA LYS 2 4.087 3.450 -2.720
12 HB2 LYS 2 2HB LYS 2 5.472 3.703 -4.609
13 HB3 LYS 2 3HB LYS 2 5.672 2.024 -4.125
14 HG2 LYS 2 2HG LYS 2 5.398 1.705 -6.346
15 HG3 LYS 2 3HG LYS 2 3.697 1.696 -5.875
16 HD2 LYS 2 2HD LYS 2 3.580 3.211 -7.570
17 HD3 LYS 2 3HD LYS 2 3.989 4.315 -6.254
18 HE2 LYS 2 2HE LYS 2 5.491 4.922 -7.910
19 HE3 LYS 2 3HE LYS 2 6.439 3.813 -6.920
20 HZ1 LYS 2 3HZ LYS 2 5.117 2.300 -8.851
21 HZ2 LYS 2 1HZ LYS 2 6.778 2.590 -8.715
22 HZ3 LYS 2 2HZ LYS 2 5.814 3.618 -9.651
23 H GLY 3 H GLY 3 1.675 1.874 -4.572
24 HA2 GLY 3 2HA GLY 3 0.856 4.021 -6.226
25 HA3 GLY 3 3HA GLY 3 -0.130 2.641 -5.768
26 H ARG 4 H ARG 4 0.015 3.103 -2.931
27 HA ARG 4 HA ARG 4 -2.176 4.874 -2.654
28 HB2 ARG 4 2HB ARG 4 -0.360 3.765 -0.505
29 HB3 ARG 4 3HB ARG 4 -1.950 4.474 -0.252
30 HG2 ARG 4 2HG ARG 4 -1.384 1.965 -1.818
31 HG3 ARG 4 3HG ARG 4 -2.009 2.034 -0.169
32 HD2 ARG 4 2HD ARG 4 -3.888 3.480 -1.176
33 HD3 ARG 4 3HD ARG 4 -3.342 2.848 -2.729
34 HE ARG 4 HE ARG 4 -3.729 0.701 -0.970
35 HH11 ARG 4 1HH1 ARG 4 -5.567 3.119 -2.671
36 HH12 ARG 4 2HH1 ARG 4 -6.992 2.140 -2.789
37 HH21 ARG 4 1HH2 ARG 4 -5.598 -0.598 -1.119
38 HH22 ARG 4 2HH2 ARG 4 -7.008 0.026 -1.905
39 H ILE 5 H ILE 5 1.278 5.183 -1.988
40 HA ILE 5 HA ILE 5 0.963 7.873 -0.959
41 HB ILE 5 HB ILE 5 2.677 6.347 -0.024
42 HG12 ILE 5 2HG1 ILE 5 4.444 8.397 -1.098
43 HG13 ILE 5 3HG1 ILE 5 2.890 9.059 -0.606
44 HG21 ILE 5 1HG2 ILE 5 4.178 6.758 -2.599
45 HG22 ILE 5 2HG2 ILE 5 4.620 5.728 -1.239
46 HG23 ILE 5 3HG2 ILE 5 3.234 5.311 -2.247
47 HD11 ILE 5 3HD1 ILE 5 4.871 8.909 1.079
48 HD12 ILE 5 1HD1 ILE 5 3.224 8.556 1.601
49 HD13 ILE 5 2HD1 ILE 5 4.339 7.236 1.245
50 H ASP 6 H ASP 6 1.511 6.355 -3.978
51 HA ASP 6 HA ASP 6 2.939 8.437 -5.276
52 HB2 ASP 6 2HB ASP 6 2.989 6.262 -6.263
53 HB3 ASP 6 3HB ASP 6 1.231 6.180 -6.326
54 H ALA 7 H ALA 7 -0.477 7.751 -4.808
55 HA ALA 7 HA ALA 7 -1.556 9.574 -6.631
56 HB1 ALA 7 1HB ALA 7 -3.233 8.285 -5.849
57 HB2 ALA 7 2HB ALA 7 -2.521 8.147 -4.240
58 HB3 ALA 7 3HB ALA 7 -3.417 9.599 -4.686
59 HA PRO 8 HA PRO 8 -1.638 12.809 -3.035
60 HB2 PRO 8 2HB PRO 8 -0.160 12.243 -0.829
61 HB3 PRO 8 3HB PRO 8 -1.852 11.763 -1.001
62 HG2 PRO 8 2HG PRO 8 0.629 10.142 -1.425
63 HG3 PRO 8 3HG PRO 8 -0.879 9.687 -0.611
64 HD2 PRO 8 2HD PRO 8 -0.309 8.934 -3.149
65 HD3 PRO 8 3HD PRO 8 -1.966 9.249 -2.596
66 H ASP 9 H ASP 9 1.310 10.981 -3.601
67 HA ASP 9 HA ASP 9 3.037 13.260 -3.238
68 HB2 ASP 9 2HB ASP 9 3.737 10.895 -2.772
69 HB3 ASP 9 3HB ASP 9 3.698 10.598 -4.508
70 H PHE 10 H PHE 10 1.135 11.997 -5.763
71 HA PHE 10 HA PHE 10 2.607 12.667 -8.034
72 HB2 PHE 10 2HB PHE 10 0.046 11.701 -7.507
73 HB3 PHE 10 3HB PHE 10 -0.228 13.217 -8.360
74 HD1 PHE 10 HD1 PHE 10 2.214 10.407 -8.657
75 HD2 PHE 10 HD2 PHE 10 -0.617 12.927 -10.593
76 HE1 PHE 10 HE1 PHE 10 2.681 9.282 -10.795
77 HE2 PHE 10 HE2 PHE 10 -0.156 11.806 -12.734
78 HZ PHE 10 HZ PHE 10 1.494 9.980 -12.837
79 HA PRO 11 HA PRO 11 0.475 17.012 -7.876
80 HB2 PRO 11 2HB PRO 11 -0.707 17.710 -5.534
81 HB3 PRO 11 3HB PRO 11 -1.569 16.881 -6.835
82 HG2 PRO 11 2HG PRO 11 -0.370 15.750 -4.336
83 HG3 PRO 11 3HG PRO 11 -1.933 15.386 -5.091
84 HD2 PRO 11 2HD PRO 11 0.229 13.779 -5.370
85 HD3 PRO 11 3HD PRO 11 -0.994 13.964 -6.643
86 H SER 12 H SER 12 2.012 15.709 -5.006
87 HA SER 12 HA SER 12 3.195 18.233 -4.251
88 HB2 SER 12 2HB SER 12 3.333 15.425 -3.200
89 HB3 SER 12 3HB SER 12 4.524 16.616 -2.678
90 HG SER 12 HG SER 12 2.157 16.278 -1.682
91 H SER 13 H SER 13 3.942 15.677 -6.380
92 HA SER 13 HA SER 13 6.730 15.636 -6.332
93 HB2 SER 13 2HB SER 13 4.728 14.467 -7.882
94 HB3 SER 13 3HB SER 13 5.678 15.406 -9.034
95 HG SER 13 HG SER 13 6.295 13.080 -8.253
96 HA PRO 14 HA PRO 14 6.598 19.141 -9.678
97 HB2 PRO 14 2HB PRO 14 4.272 20.525 -9.889
98 HB3 PRO 14 3HB PRO 14 4.620 19.080 -10.846
99 HG2 PRO 14 2HG PRO 14 2.987 19.352 -8.352
100 HG3 PRO 14 3HG PRO 14 2.641 18.420 -9.820
101 HD2 PRO 14 2HD PRO 14 3.619 17.280 -7.567
102 HD3 PRO 14 3HD PRO 14 4.014 16.679 -9.190
103 H ALA 15 H ALA 15 4.921 19.418 -6.633
104 HA ALA 15 HA ALA 15 5.501 22.221 -6.290
105 HB1 ALA 15 1HB ALA 15 4.854 21.182 -3.797
106 HB2 ALA 15 2HB ALA 15 3.758 21.971 -4.932
107 HB3 ALA 15 3HB ALA 15 3.919 20.215 -4.938
108 H ILE 16 H ILE 16 6.771 19.156 -5.053
109 HA ILE 16 HA ILE 16 8.702 20.394 -3.343
110 HB ILE 16 HB ILE 16 7.773 18.086 -3.000
111 HG12 ILE 16 2HG1 ILE 16 9.982 17.110 -2.307
112 HG13 ILE 16 3HG1 ILE 16 10.773 18.444 -3.140
113 HG21 ILE 16 1HG2 ILE 16 7.907 17.329 -5.320
114 HG22 ILE 16 2HG2 ILE 16 9.667 17.382 -5.237
115 HG23 ILE 16 3HG2 ILE 16 8.771 16.237 -4.238
116 HD11 ILE 16 3HD1 ILE 16 10.192 18.459 -0.531
117 HD12 ILE 16 1HD1 ILE 16 10.282 19.920 -1.515
118 HD13 ILE 16 2HD1 ILE 16 8.716 19.185 -1.167
119 H LEU 17 H LEU 17 8.688 19.161 -6.628
120 HA LEU 17 HA LEU 17 11.528 19.315 -6.971
121 HB2 LEU 17 2HB LEU 17 9.186 18.838 -8.757
122 HB3 LEU 17 3HB LEU 17 10.748 19.232 -9.472
123 HG LEU 17 HG LEU 17 10.671 17.020 -7.494
124 HD11 LEU 17 1HD1 LEU 17 10.045 16.214 -10.249
125 HD12 LEU 17 2HD1 LEU 17 8.725 16.984 -9.370
126 HD13 LEU 17 3HD1 LEU 17 9.498 15.542 -8.713
127 HD21 LEU 17 3HD2 LEU 17 12.336 16.087 -9.018
128 HD22 LEU 17 1HD2 LEU 17 12.764 17.727 -8.532
129 HD23 LEU 17 2HD2 LEU 17 12.080 17.432 -10.130
130 H GLY 18 H GLY 18 8.806 21.452 -7.518
131 HA2 GLY 18 2HA GLY 18 10.367 23.374 -9.011
132 HA3 GLY 18 3HA GLY 18 8.703 23.566 -8.477
133 H LYS 19 H LYS 19 9.438 22.872 -5.687
134 HA LYS 19 HA LYS 19 10.136 25.541 -4.855
135 HB2 LYS 19 2HB LYS 19 9.373 23.023 -3.394
136 HB3 LYS 19 3HB LYS 19 9.930 24.451 -2.531
137 HG2 LYS 19 2HG LYS 19 8.086 25.734 -3.278
138 HG3 LYS 19 3HG LYS 19 7.614 24.497 -4.446
139 HD2 LYS 19 2HD LYS 19 7.244 22.953 -2.488
140 HD3 LYS 19 3HD LYS 19 7.459 24.356 -1.440
141 HE2 LYS 19 2HE LYS 19 5.586 25.470 -2.540
142 HE3 LYS 19 3HE LYS 19 5.383 24.086 -3.613
143 HZ1 LYS 19 3HZ LYS 19 5.266 22.907 -1.224
144 HZ2 LYS 19 1HZ LYS 19 3.906 23.461 -2.063
145 HZ3 LYS 19 2HZ LYS 19 4.593 24.412 -0.845
146 H ALA 20 H ALA 20 11.698 22.426 -5.053
147 HA ALA 20 HA ALA 20 13.899 23.004 -3.360
148 HB1 ALA 20 1HB ALA 20 13.349 20.941 -5.451
149 HB2 ALA 20 2HB ALA 20 14.968 21.104 -4.770
150 HB3 ALA 20 3HB ALA 20 13.601 20.741 -3.717
151 H ALA 21 H ALA 21 13.250 23.545 -6.764
152 HA ALA 21 HA ALA 21 15.923 24.227 -7.482
153 HB1 ALA 21 1HB ALA 21 13.336 24.091 -8.788
154 HB2 ALA 21 2HB ALA 21 14.284 25.480 -9.321
155 HB3 ALA 21 3HB ALA 21 14.953 23.853 -9.452
156 H THR 22 H THR 22 13.078 26.077 -6.497
157 HA THR 22 HA THR 22 14.402 28.615 -6.837
158 HB THR 22 HB THR 22 11.970 28.433 -7.153
159 HG1 THR 22 HG1 THR 22 11.926 30.444 -6.518
160 HG21 THR 22 3HG2 THR 22 10.462 28.001 -5.373
161 HG22 THR 22 1HG2 THR 22 11.751 28.066 -4.171
162 HG23 THR 22 2HG2 THR 22 11.674 26.722 -5.310
163 H ASP 23 H ASP 23 14.042 26.279 -4.326
164 HA ASP 23 HA ASP 23 14.557 28.045 -2.134
165 HB2 ASP 23 2HB ASP 23 13.373 25.995 -1.699
166 HB3 ASP 23 3HB ASP 23 14.684 25.036 -2.381
167 H VAL 24 H VAL 24 16.509 25.930 -4.169
168 HA VAL 24 HA VAL 24 18.916 26.249 -2.675
169 HB VAL 24 HB VAL 24 18.529 25.392 -5.547
170 HG11 VAL 24 1HG1 VAL 24 20.928 25.510 -3.768
171 HG12 VAL 24 2HG1 VAL 24 20.808 24.262 -5.010
172 HG13 VAL 24 3HG1 VAL 24 20.767 25.966 -5.464
173 HG21 VAL 24 3HG2 VAL 24 17.948 23.379 -4.794
174 HG22 VAL 24 1HG2 VAL 24 19.311 23.337 -3.675
175 HG23 VAL 24 2HG2 VAL 24 17.796 24.099 -3.191
176 H VAL 25 H VAL 25 17.462 27.916 -5.409
177 HA VAL 25 HA VAL 25 19.744 29.477 -6.075
178 HB VAL 25 HB VAL 25 16.824 29.998 -6.649
179 HG11 VAL 25 1HG1 VAL 25 17.681 31.459 -8.451
180 HG12 VAL 25 2HG1 VAL 25 18.087 32.046 -6.837
181 HG13 VAL 25 3HG1 VAL 25 19.311 31.239 -7.817
182 HG21 VAL 25 3HG2 VAL 25 17.066 28.837 -8.638
183 HG22 VAL 25 1HG2 VAL 25 18.824 28.979 -8.625
184 HG23 VAL 25 2HG2 VAL 25 18.021 27.863 -7.521
185 H ALA 26 H ALA 26 16.988 29.949 -3.936
186 HA ALA 26 HA ALA 26 17.681 32.679 -3.329
187 HB1 ALA 26 1HB ALA 26 15.405 32.336 -3.158
188 HB2 ALA 26 2HB ALA 26 15.593 30.768 -2.371
189 HB3 ALA 26 3HB ALA 26 15.914 32.250 -1.471
190 H ALA 27 H ALA 27 18.276 29.520 -1.964
191 HA ALA 27 HA ALA 27 19.272 30.536 0.542
192 HB1 ALA 27 1HB ALA 27 19.878 28.206 0.998
193 HB2 ALA 27 2HB ALA 27 18.205 28.353 0.458
194 HB3 ALA 27 3HB ALA 27 19.444 27.774 -0.657
195 H TRP 28 H TRP 28 20.625 29.423 -2.510
196 HA TRP 28 HA TRP 28 23.329 29.352 -1.662
197 HB2 TRP 28 2HB TRP 28 22.577 28.164 -3.664
198 HB3 TRP 28 3HB TRP 28 22.169 29.694 -4.436
199 HD1 TRP 28 HD1 TRP 28 25.166 27.514 -3.507
200 HE1 TRP 28 HE1 TRP 28 27.233 28.366 -4.782
201 HE3 TRP 28 HE3 TRP 28 23.190 31.791 -5.490
202 HZ2 TRP 28 HZ2 TRP 28 27.933 30.561 -6.413
203 HZ3 TRP 28 HZ3 TRP 28 24.625 33.212 -6.897
204 HH2 TRP 28 HH2 TRP 28 26.947 32.608 -7.347
205 H LYS 29 H LYS 29 21.318 31.843 -3.152
206 HA LYS 29 HA LYS 29 23.443 33.721 -3.477
207 HB2 LYS 29 2HB LYS 29 21.638 35.340 -3.940
208 HB3 LYS 29 3HB LYS 29 21.463 33.860 -4.874
209 HG2 LYS 29 2HG LYS 29 19.312 34.177 -4.185
210 HG3 LYS 29 3HG LYS 29 19.915 33.155 -2.878
211 HD2 LYS 29 2HD LYS 29 19.409 34.740 -1.405
212 HD3 LYS 29 3HD LYS 29 20.504 35.856 -2.225
213 HE2 LYS 29 2HE LYS 29 18.655 36.389 -3.810
214 HE3 LYS 29 3HE LYS 29 17.584 35.398 -2.821
215 HZ1 LYS 29 3HZ LYS 29 19.007 37.313 -1.257
216 HZ2 LYS 29 1HZ LYS 29 17.340 37.041 -1.368
217 HZ3 LYS 29 2HZ LYS 29 18.107 38.060 -2.479
218 H SER 30 H SER 30 21.219 32.927 -0.918
219 HA SER 30 HA SER 30 21.556 35.319 0.588
220 HB2 SER 30 2HB SER 30 19.612 34.092 1.102
221 HB3 SER 30 3HB SER 30 20.501 32.574 1.239
222 HG SER 30 HG SER 30 21.053 33.062 3.230
Start of MODEL 8
1 H1 VAL 1 H VAL 1 1.197 -1.049 -0.174
2 HA VAL 1 HA VAL 1 3.154 -0.905 -1.946
3 HB VAL 1 HB VAL 1 1.457 -0.454 -3.775
4 HG11 VAL 1 1HG1 VAL 1 0.610 -2.610 -3.653
5 HG12 VAL 1 2HG1 VAL 1 2.046 -2.701 -2.632
6 HG13 VAL 1 3HG1 VAL 1 0.448 -2.556 -1.898
7 HG21 VAL 1 3HG2 VAL 1 -0.755 -0.025 -3.312
8 HG22 VAL 1 1HG2 VAL 1 -0.652 -0.682 -1.678
9 HG23 VAL 1 2HG2 VAL 1 0.037 0.902 -2.037
10 H LYS 2 H LYS 2 3.622 0.540 -3.805
11 HA LYS 2 HA LYS 2 4.089 3.218 -2.852
12 HB2 LYS 2 2HB LYS 2 5.499 3.488 -4.719
13 HB3 LYS 2 3HB LYS 2 5.701 1.807 -4.241
14 HG2 LYS 2 2HG LYS 2 5.460 1.498 -6.467
15 HG3 LYS 2 3HG LYS 2 3.753 1.478 -6.021
16 HD2 LYS 2 2HD LYS 2 3.651 3.001 -7.709
17 HD3 LYS 2 3HD LYS 2 4.037 4.101 -6.382
18 HE2 LYS 2 2HE LYS 2 6.518 3.374 -7.122
19 HE3 LYS 2 3HE LYS 2 5.687 3.221 -8.669
20 HZ1 LYS 2 3HZ LYS 2 5.037 5.641 -7.267
21 HZ2 LYS 2 1HZ LYS 2 5.527 5.420 -8.871
22 HZ3 LYS 2 2HZ LYS 2 6.683 5.519 -7.641
23 H GLY 3 H GLY 3 1.711 1.640 -4.745
24 HA2 GLY 3 2HA GLY 3 0.905 3.791 -6.400
25 HA3 GLY 3 3HA GLY 3 -0.081 2.404 -5.963
26 H ARG 4 H ARG 4 0.023 2.853 -3.122
27 HA ARG 4 HA ARG 4 -2.181 4.611 -2.867
28 HB2 ARG 4 2HB ARG 4 -0.417 3.181 -0.898
29 HB3 ARG 4 3HB ARG 4 -1.645 4.315 -0.352
30 HG2 ARG 4 2HG ARG 4 -2.163 1.879 -2.044
31 HG3 ARG 4 3HG ARG 4 -2.419 1.990 -0.302
32 HD2 ARG 4 2HD ARG 4 -3.896 4.038 -0.918
33 HD3 ARG 4 3HD ARG 4 -3.912 3.318 -2.527
34 HE ARG 4 HE ARG 4 -5.339 1.711 -1.749
35 HH11 ARG 4 1HH1 ARG 4 -3.818 3.282 0.960
36 HH12 ARG 4 2HH1 ARG 4 -4.801 2.483 2.142
37 HH21 ARG 4 1HH2 ARG 4 -6.640 0.653 -0.202
38 HH22 ARG 4 2HH2 ARG 4 -6.405 0.988 1.480
39 H ILE 5 H ILE 5 1.262 4.934 -2.151
40 HA ILE 5 HA ILE 5 0.918 7.618 -1.113
41 HB ILE 5 HB ILE 5 2.626 6.095 -0.162
42 HG12 ILE 5 2HG1 ILE 5 4.298 8.245 -1.297
43 HG13 ILE 5 3HG1 ILE 5 2.787 8.782 -0.571
44 HG21 ILE 5 1HG2 ILE 5 4.121 6.515 -2.743
45 HG22 ILE 5 2HG2 ILE 5 4.617 5.537 -1.363
46 HG23 ILE 5 3HG2 ILE 5 3.235 5.044 -2.341
47 HD11 ILE 5 3HD1 ILE 5 3.378 7.864 1.532
48 HD12 ILE 5 1HD1 ILE 5 4.764 7.019 0.843
49 HD13 ILE 5 2HD1 ILE 5 4.768 8.779 0.949
50 H ASP 6 H ASP 6 1.516 6.117 -4.132
51 HA ASP 6 HA ASP 6 2.952 8.213 -5.399
52 HB2 ASP 6 2HB ASP 6 3.061 6.089 -6.438
53 HB3 ASP 6 3HB ASP 6 1.308 5.912 -6.440
54 H ALA 7 H ALA 7 -0.467 7.507 -4.983
55 HA ALA 7 HA ALA 7 -1.529 9.333 -6.812
56 HB1 ALA 7 1HB ALA 7 -2.529 7.586 -4.863
57 HB2 ALA 7 2HB ALA 7 -3.174 9.179 -4.465
58 HB3 ALA 7 3HB ALA 7 -3.444 8.494 -6.067
59 HA PRO 8 HA PRO 8 -1.679 12.550 -3.202
60 HB2 PRO 8 2HB PRO 8 -0.229 11.981 -0.978
61 HB3 PRO 8 3HB PRO 8 -1.916 11.493 -1.176
62 HG2 PRO 8 2HG PRO 8 0.579 9.887 -1.574
63 HG3 PRO 8 3HG PRO 8 -0.938 9.420 -0.783
64 HD2 PRO 8 2HD PRO 8 -0.328 8.682 -3.316
65 HD3 PRO 8 3HD PRO 8 -1.995 8.987 -2.785
66 H ASP 9 H ASP 9 1.286 10.740 -3.735
67 HA ASP 9 HA ASP 9 2.996 13.026 -3.336
68 HB2 ASP 9 2HB ASP 9 3.852 10.817 -2.806
69 HB3 ASP 9 3HB ASP 9 3.559 10.274 -4.456
70 H PHE 10 H PHE 10 1.137 11.765 -5.894
71 HA PHE 10 HA PHE 10 2.637 12.455 -8.141
72 HB2 PHE 10 2HB PHE 10 0.046 11.509 -7.636
73 HB3 PHE 10 3HB PHE 10 -0.175 12.998 -8.549
74 HD1 PHE 10 HD2 PHE 10 1.261 13.240 -10.698
75 HD2 PHE 10 HD1 PHE 10 0.473 9.538 -8.752
76 HE1 PHE 10 HE2 PHE 10 1.775 12.040 -12.783
77 HE2 PHE 10 HE1 PHE 10 0.987 8.331 -10.834
78 HZ PHE 10 HZ PHE 10 1.638 9.582 -12.853
79 HA PRO 11 HA PRO 11 0.481 16.788 -7.992
80 HB2 PRO 11 2HB PRO 11 -0.737 17.468 -5.663
81 HB3 PRO 11 3HB PRO 11 -1.577 16.641 -6.981
82 HG2 PRO 11 2HG PRO 11 -0.407 15.504 -4.471
83 HG3 PRO 11 3HG PRO 11 -1.957 15.136 -5.250
84 HD2 PRO 11 2HD PRO 11 0.216 13.541 -5.505
85 HD3 PRO 11 3HD PRO 11 -0.990 13.726 -6.795
86 H SER 12 H SER 12 1.992 15.474 -5.115
87 HA SER 12 HA SER 12 3.148 18.001 -4.326
88 HB2 SER 12 2HB SER 12 4.000 15.307 -3.284
89 HB3 SER 12 3HB SER 12 4.019 16.864 -2.457
90 HG SER 12 HG SER 12 1.906 16.713 -2.078
91 H SER 13 H SER 13 3.942 15.456 -6.455
92 HA SER 13 HA SER 13 6.729 15.441 -6.374
93 HB2 SER 13 2HB SER 13 6.372 13.892 -7.950
94 HB3 SER 13 3HB SER 13 4.686 14.395 -8.070
95 HG SER 13 HG SER 13 5.229 15.037 -9.992
96 HA PRO 14 HA PRO 14 6.597 18.953 -9.715
97 HB2 PRO 14 2HB PRO 14 4.263 20.321 -9.937
98 HB3 PRO 14 3HB PRO 14 4.627 18.882 -10.896
99 HG2 PRO 14 2HG PRO 14 2.976 19.135 -8.412
100 HG3 PRO 14 3HG PRO 14 2.646 18.204 -9.885
101 HD2 PRO 14 2HD PRO 14 3.617 17.064 -7.629
102 HD3 PRO 14 3HD PRO 14 4.028 16.472 -9.251
103 H ALA 15 H ALA 15 4.892 19.211 -6.682
104 HA ALA 15 HA ALA 15 5.456 22.016 -6.327
105 HB1 ALA 15 1HB ALA 15 3.513 21.429 -5.237
106 HB2 ALA 15 2HB ALA 15 4.168 19.892 -4.671
107 HB3 ALA 15 3HB ALA 15 4.681 21.401 -3.916
108 H ILE 16 H ILE 16 6.730 18.954 -5.088
109 HA ILE 16 HA ILE 16 8.638 20.195 -3.355
110 HB ILE 16 HB ILE 16 7.721 17.881 -3.030
111 HG12 ILE 16 2HG1 ILE 16 9.975 16.903 -2.385
112 HG13 ILE 16 3HG1 ILE 16 10.706 18.325 -3.120
113 HG21 ILE 16 1HG2 ILE 16 7.876 17.136 -5.352
114 HG22 ILE 16 2HG2 ILE 16 9.635 17.198 -5.257
115 HG23 ILE 16 3HG2 ILE 16 8.739 16.043 -4.270
116 HD11 ILE 16 3HD1 ILE 16 8.719 19.259 -1.368
117 HD12 ILE 16 1HD1 ILE 16 9.614 18.007 -0.509
118 HD13 ILE 16 2HD1 ILE 16 10.469 19.386 -1.200
119 H LEU 17 H LEU 17 8.662 18.979 -6.646
120 HA LEU 17 HA LEU 17 11.504 19.152 -6.961
121 HB2 LEU 17 2HB LEU 17 10.393 17.600 -8.344
122 HB3 LEU 17 3HB LEU 17 9.213 18.799 -8.871
123 HG LEU 17 HG LEU 17 11.969 19.469 -9.589
124 HD11 LEU 17 1HD1 LEU 17 10.860 16.812 -10.231
125 HD12 LEU 17 2HD1 LEU 17 12.535 17.356 -10.141
126 HD13 LEU 17 3HD1 LEU 17 11.569 17.709 -11.573
127 HD21 LEU 17 3HD2 LEU 17 10.271 20.765 -10.543
128 HD22 LEU 17 1HD2 LEU 17 9.289 19.353 -10.936
129 HD23 LEU 17 2HD2 LEU 17 10.770 19.676 -11.839
130 H GLY 18 H GLY 18 8.774 21.273 -7.524
131 HA2 GLY 18 2HA GLY 18 10.335 23.212 -8.994
132 HA3 GLY 18 3HA GLY 18 8.666 23.391 -8.474
133 H LYS 19 H LYS 19 9.383 22.689 -5.681
134 HA LYS 19 HA LYS 19 10.053 25.358 -4.830
135 HB2 LYS 19 2HB LYS 19 9.282 22.826 -3.401
136 HB3 LYS 19 3HB LYS 19 9.852 24.232 -2.511
137 HG2 LYS 19 2HG LYS 19 7.502 24.252 -4.392
138 HG3 LYS 19 3HG LYS 19 7.385 24.052 -2.642
139 HD2 LYS 19 2HD LYS 19 8.936 26.289 -2.850
140 HD3 LYS 19 3HD LYS 19 7.862 26.464 -4.240
141 HE2 LYS 19 2HE LYS 19 6.271 27.196 -2.875
142 HE3 LYS 19 3HE LYS 19 6.261 25.622 -2.082
143 HZ1 LYS 19 3HZ LYS 19 7.091 28.081 -1.037
144 HZ2 LYS 19 1HZ LYS 19 8.449 27.075 -1.119
145 HZ3 LYS 19 2HZ LYS 19 7.074 26.571 -0.273
146 H ALA 20 H ALA 20 11.640 22.253 -5.018
147 HA ALA 20 HA ALA 20 13.821 22.831 -3.308
148 HB1 ALA 20 1HB ALA 20 14.879 20.993 -4.940
149 HB2 ALA 20 2HB ALA 20 13.747 20.595 -3.646
150 HB3 ALA 20 3HB ALA 20 13.170 20.753 -5.306
151 H ALA 21 H ALA 21 13.248 23.337 -6.745
152 HA ALA 21 HA ALA 21 15.911 24.105 -7.388
153 HB1 ALA 21 1HB ALA 21 15.047 24.770 -9.508
154 HB2 ALA 21 2HB ALA 21 14.203 23.298 -9.027
155 HB3 ALA 21 3HB ALA 21 13.404 24.862 -8.874
156 H THR 22 H THR 22 13.008 25.872 -6.436
157 HA THR 22 HA THR 22 14.248 28.450 -6.773
158 HB THR 22 HB THR 22 11.655 27.716 -5.399
159 HG1 THR 22 HG1 THR 22 12.325 28.447 -8.053
160 HG21 THR 22 3HG2 THR 22 11.378 30.284 -6.234
161 HG22 THR 22 1HG2 THR 22 13.082 30.260 -5.785
162 HG23 THR 22 2HG2 THR 22 11.852 29.818 -4.601
163 H ASP 23 H ASP 23 13.948 26.108 -4.252
164 HA ASP 23 HA ASP 23 14.439 27.902 -2.073
165 HB2 ASP 23 2HB ASP 23 13.298 25.907 -1.508
166 HB3 ASP 23 3HB ASP 23 14.477 24.902 -2.346
167 H VAL 24 H VAL 24 16.409 25.784 -4.089
168 HA VAL 24 HA VAL 24 18.813 26.126 -2.603
169 HB VAL 24 HB VAL 24 18.432 25.279 -5.478
170 HG11 VAL 24 1HG1 VAL 24 20.682 26.012 -5.214
171 HG12 VAL 24 2HG1 VAL 24 20.837 25.179 -3.666
172 HG13 VAL 24 3HG1 VAL 24 20.699 24.249 -5.159
173 HG21 VAL 24 3HG2 VAL 24 17.971 23.209 -4.759
174 HG22 VAL 24 1HG2 VAL 24 19.214 23.271 -3.510
175 HG23 VAL 24 2HG2 VAL 24 17.623 23.969 -3.206
176 H VAL 25 H VAL 25 17.339 27.800 -5.319
177 HA VAL 25 HA VAL 25 19.609 29.379 -5.986
178 HB VAL 25 HB VAL 25 16.684 29.896 -6.543
179 HG11 VAL 25 1HG1 VAL 25 17.802 31.954 -6.813
180 HG12 VAL 25 2HG1 VAL 25 19.195 31.187 -7.577
181 HG13 VAL 25 3HG1 VAL 25 17.656 31.278 -8.435
182 HG21 VAL 25 3HG2 VAL 25 18.275 27.847 -7.484
183 HG22 VAL 25 1HG2 VAL 25 16.800 28.450 -8.241
184 HG23 VAL 25 2HG2 VAL 25 18.371 29.059 -8.761
185 H ALA 26 H ALA 26 16.855 29.822 -3.837
186 HA ALA 26 HA ALA 26 17.534 32.552 -3.215
187 HB1 ALA 26 1HB ALA 26 15.271 32.246 -3.008
188 HB2 ALA 26 2HB ALA 26 15.440 30.629 -2.324
189 HB3 ALA 26 3HB ALA 26 15.780 32.047 -1.331
190 H ALA 27 H ALA 27 18.152 29.388 -1.872
191 HA ALA 27 HA ALA 27 19.145 30.393 0.640
192 HB1 ALA 27 1HB ALA 27 19.765 28.065 1.080
193 HB2 ALA 27 2HB ALA 27 18.092 28.202 0.536
194 HB3 ALA 27 3HB ALA 27 19.339 27.641 -0.578
195 H TRP 28 H TRP 28 20.501 29.307 -2.421
196 HA TRP 28 HA TRP 28 23.207 29.252 -1.578
197 HB2 TRP 28 2HB TRP 28 22.381 28.093 -3.605
198 HB3 TRP 28 3HB TRP 28 22.103 29.656 -4.366
199 HD1 TRP 28 HD1 TRP 28 24.960 27.347 -3.245
200 HE1 TRP 28 HE1 TRP 28 27.104 28.043 -4.487
201 HE3 TRP 28 HE3 TRP 28 23.235 31.583 -5.529
202 HZ2 TRP 28 HZ2 TRP 28 27.952 30.114 -6.207
203 HZ3 TRP 28 HZ3 TRP 28 24.776 32.864 -6.956
204 HH2 TRP 28 HH2 TRP 28 27.086 32.144 -7.286
205 H LYS 29 H LYS 29 21.176 31.737 -3.050
206 HA LYS 29 HA LYS 29 23.287 33.632 -3.366
207 HB2 LYS 29 2HB LYS 29 21.469 35.241 -3.816
208 HB3 LYS 29 3HB LYS 29 21.303 33.766 -4.759
209 HG2 LYS 29 2HG LYS 29 19.151 34.063 -4.064
210 HG3 LYS 29 3HG LYS 29 19.764 33.037 -2.764
211 HD2 LYS 29 2HD LYS 29 19.201 34.608 -1.296
212 HD3 LYS 29 3HD LYS 29 20.351 35.709 -2.059
213 HE2 LYS 29 2HE LYS 29 18.714 36.667 -3.415
214 HE3 LYS 29 3HE LYS 29 17.608 35.311 -3.199
215 HZ1 LYS 29 3HZ LYS 29 16.860 36.113 -1.238
216 HZ2 LYS 29 1HZ LYS 29 17.328 37.592 -1.912
217 HZ3 LYS 29 2HZ LYS 29 18.340 36.808 -0.808
218 H SER 30 H SER 30 21.073 32.807 -0.808
219 HA SER 30 HA SER 30 21.270 35.166 0.717
220 HB2 SER 30 2HB SER 30 19.564 33.900 1.549
221 HB3 SER 30 3HB SER 30 20.381 32.378 1.195
222 HG SER 30 HG SER 30 20.733 34.103 3.402
Start of MODEL 9
1 H1 VAL 1 H VAL 1 1.561 -0.873 0.640
2 HA VAL 1 HA VAL 1 3.117 -0.632 -1.082
3 HB VAL 1 HB VAL 1 1.924 -0.562 -3.255
4 HG11 VAL 1 1HG1 VAL 1 2.021 -2.567 -1.580
5 HG12 VAL 1 2HG1 VAL 1 0.283 -2.289 -1.459
6 HG13 VAL 1 3HG1 VAL 1 1.011 -2.660 -3.022
7 HG21 VAL 1 3HG2 VAL 1 -0.630 -0.543 -3.058
8 HG22 VAL 1 1HG2 VAL 1 -0.373 0.230 -1.493
9 HG23 VAL 1 2HG2 VAL 1 0.209 1.006 -2.967
10 H LYS 2 H LYS 2 3.521 0.718 -3.224
11 HA LYS 2 HA LYS 2 4.008 3.414 -2.333
12 HB2 LYS 2 2HB LYS 2 5.390 3.643 -4.229
13 HB3 LYS 2 3HB LYS 2 5.602 1.975 -3.710
14 HG2 LYS 2 2HG LYS 2 5.332 1.606 -5.922
15 HG3 LYS 2 3HG LYS 2 3.630 1.598 -5.454
16 HD2 LYS 2 2HD LYS 2 3.281 3.770 -6.259
17 HD3 LYS 2 3HD LYS 2 5.009 4.128 -6.297
18 HE2 LYS 2 2HE LYS 2 4.406 1.854 -7.958
19 HE3 LYS 2 3HE LYS 2 3.403 3.232 -8.409
20 HZ1 LYS 2 3HZ LYS 2 6.354 3.351 -8.116
21 HZ2 LYS 2 1HZ LYS 2 5.342 4.564 -8.721
22 HZ3 LYS 2 2HZ LYS 2 5.556 3.130 -9.591
23 H GLY 3 H GLY 3 1.605 1.802 -4.167
24 HA2 GLY 3 2HA GLY 3 0.781 3.903 -5.867
25 HA3 GLY 3 3HA GLY 3 -0.213 2.546 -5.357
26 H ARG 4 H ARG 4 0.003 3.129 -2.527
27 HA ARG 4 HA ARG 4 -2.191 4.912 -2.293
28 HB2 ARG 4 2HB ARG 4 -0.532 3.289 -0.467
29 HB3 ARG 4 3HB ARG 4 -1.267 4.716 0.253
30 HG2 ARG 4 2HG ARG 4 -2.740 2.891 0.610
31 HG3 ARG 4 3HG ARG 4 -3.469 3.922 -0.623
32 HD2 ARG 4 2HD ARG 4 -1.721 1.787 -1.641
33 HD3 ARG 4 3HD ARG 4 -3.188 1.234 -0.836
34 HE ARG 4 HE ARG 4 -3.002 2.577 -3.371
35 HH11 ARG 4 1HH1 ARG 4 -5.050 1.867 -0.647
36 HH12 ARG 4 2HH1 ARG 4 -6.524 2.086 -1.532
37 HH21 ARG 4 1HH2 ARG 4 -4.934 2.867 -4.547
38 HH22 ARG 4 2HH2 ARG 4 -6.456 2.653 -3.750
39 H ILE 5 H ILE 5 1.273 5.225 -1.690
40 HA ILE 5 HA ILE 5 0.987 7.951 -0.748
41 HB ILE 5 HB ILE 5 2.706 6.457 0.218
42 HG12 ILE 5 2HG1 ILE 5 4.503 8.415 -0.938
43 HG13 ILE 5 3HG1 ILE 5 2.952 9.143 -0.533
44 HG21 ILE 5 1HG2 ILE 5 3.249 5.261 -1.876
45 HG22 ILE 5 2HG2 ILE 5 4.074 6.707 -2.456
46 HG23 ILE 5 3HG2 ILE 5 4.679 5.858 -1.034
47 HD11 ILE 5 3HD1 ILE 5 4.587 9.315 1.283
48 HD12 ILE 5 1HD1 ILE 5 3.160 8.391 1.750
49 HD13 ILE 5 2HD1 ILE 5 4.664 7.555 1.363
50 H ASP 6 H ASP 6 1.492 6.324 -3.720
51 HA ASP 6 HA ASP 6 2.905 8.357 -5.108
52 HB2 ASP 6 2HB ASP 6 1.540 5.839 -5.787
53 HB3 ASP 6 3HB ASP 6 1.532 7.043 -7.073
54 H ALA 7 H ALA 7 -0.506 7.694 -4.571
55 HA ALA 7 HA ALA 7 -1.607 9.452 -6.444
56 HB1 ALA 7 1HB ALA 7 -2.568 7.784 -4.419
57 HB2 ALA 7 2HB ALA 7 -3.174 9.394 -4.031
58 HB3 ALA 7 3HB ALA 7 -3.514 8.681 -5.607
59 HA PRO 8 HA PRO 8 -1.636 12.815 -2.966
60 HB2 PRO 8 2HB PRO 8 -0.131 12.326 -0.761
61 HB3 PRO 8 3HB PRO 8 -1.826 11.844 -0.893
62 HG2 PRO 8 2HG PRO 8 0.646 10.203 -1.291
63 HG3 PRO 8 3HG PRO 8 -0.852 9.781 -0.441
64 HD2 PRO 8 2HD PRO 8 -0.315 8.936 -2.957
65 HD3 PRO 8 3HD PRO 8 -1.965 9.275 -2.395
66 H ASP 9 H ASP 9 1.300 10.962 -3.505
67 HA ASP 9 HA ASP 9 3.036 13.248 -3.245
68 HB2 ASP 9 2HB ASP 9 3.814 10.978 -2.670
69 HB3 ASP 9 3HB ASP 9 3.608 10.490 -4.350
70 H PHE 10 H PHE 10 1.099 11.900 -5.699
71 HA PHE 10 HA PHE 10 2.543 12.486 -8.011
72 HB2 PHE 10 2HB PHE 10 -0.040 11.581 -7.399
73 HB3 PHE 10 3HB PHE 10 -0.275 13.034 -8.365
74 HD1 PHE 10 HD2 PHE 10 1.356 13.148 -10.486
75 HD2 PHE 10 HD1 PHE 10 0.092 9.592 -8.518
76 HE1 PHE 10 HE2 PHE 10 1.806 11.859 -12.533
77 HE2 PHE 10 HE1 PHE 10 0.541 8.297 -10.561
78 HZ PHE 10 HZ PHE 10 1.398 9.430 -12.573
79 HA PRO 11 HA PRO 11 0.420 16.838 -7.981
80 HB2 PRO 11 2HB PRO 11 -0.730 17.621 -5.650
81 HB3 PRO 11 3HB PRO 11 -1.610 16.748 -6.909
82 HG2 PRO 11 2HG PRO 11 -0.380 15.704 -4.387
83 HG3 PRO 11 3HG PRO 11 -1.953 15.317 -5.109
84 HD2 PRO 11 2HD PRO 11 0.202 13.697 -5.358
85 HD3 PRO 11 3HD PRO 11 -1.037 13.839 -6.621
86 H SER 12 H SER 12 1.992 15.635 -5.086
87 HA SER 12 HA SER 12 3.189 18.181 -4.437
88 HB2 SER 12 2HB SER 12 2.674 15.843 -3.018
89 HB3 SER 12 3HB SER 12 4.430 15.868 -3.177
90 HG SER 12 HG SER 12 3.351 17.048 -1.335
91 H SER 13 H SER 13 3.905 15.549 -6.482
92 HA SER 13 HA SER 13 6.692 15.503 -6.469
93 HB2 SER 13 2HB SER 13 4.691 14.254 -7.925
94 HB3 SER 13 3HB SER 13 5.558 15.189 -9.143
95 HG SER 13 HG SER 13 6.501 13.132 -7.473
96 HA PRO 14 HA PRO 14 6.525 18.890 -9.934
97 HB2 PRO 14 2HB PRO 14 4.200 20.271 -10.165
98 HB3 PRO 14 3HB PRO 14 4.533 18.793 -11.075
99 HG2 PRO 14 2HG PRO 14 2.932 19.156 -8.572
100 HG3 PRO 14 3HG PRO 14 2.566 18.173 -10.002
101 HD2 PRO 14 2HD PRO 14 3.569 17.111 -7.723
102 HD3 PRO 14 3HD PRO 14 3.944 16.453 -9.328
103 H ALA 15 H ALA 15 4.904 19.268 -6.874
104 HA ALA 15 HA ALA 15 5.483 22.084 -6.637
105 HB1 ALA 15 1HB ALA 15 4.626 21.800 -4.321
106 HB2 ALA 15 2HB ALA 15 3.501 21.259 -5.568
107 HB3 ALA 15 3HB ALA 15 4.433 20.078 -4.648
108 H ILE 16 H ILE 16 6.772 19.063 -5.315
109 HA ILE 16 HA ILE 16 8.728 20.355 -3.676
110 HB ILE 16 HB ILE 16 7.817 18.063 -3.237
111 HG12 ILE 16 2HG1 ILE 16 10.126 17.080 -2.696
112 HG13 ILE 16 3HG1 ILE 16 10.787 18.538 -3.426
113 HG21 ILE 16 1HG2 ILE 16 9.647 17.276 -5.501
114 HG22 ILE 16 2HG2 ILE 16 8.766 16.173 -4.446
115 HG23 ILE 16 3HG2 ILE 16 7.884 17.238 -5.540
116 HD11 ILE 16 3HD1 ILE 16 10.183 19.843 -1.689
117 HD12 ILE 16 1HD1 ILE 16 8.722 18.915 -1.352
118 HD13 ILE 16 2HD1 ILE 16 10.293 18.311 -0.823
119 H LEU 17 H LEU 17 8.675 19.005 -6.917
120 HA LEU 17 HA LEU 17 11.508 19.165 -7.306
121 HB2 LEU 17 2HB LEU 17 9.636 17.758 -8.533
122 HB3 LEU 17 3HB LEU 17 9.612 19.162 -9.598
123 HG LEU 17 HG LEU 17 11.023 17.365 -10.475
124 HD11 LEU 17 1HD1 LEU 17 12.907 19.526 -9.643
125 HD12 LEU 17 2HD1 LEU 17 11.524 19.912 -10.667
126 HD13 LEU 17 3HD1 LEU 17 12.721 18.736 -11.209
127 HD21 LEU 17 3HD2 LEU 17 12.621 16.300 -9.306
128 HD22 LEU 17 1HD2 LEU 17 11.731 16.890 -7.903
129 HD23 LEU 17 2HD2 LEU 17 13.145 17.770 -8.483
130 H GLY 18 H GLY 18 8.767 21.268 -7.886
131 HA2 GLY 18 2HA GLY 18 10.294 23.146 -9.468
132 HA3 GLY 18 3HA GLY 18 8.638 23.348 -8.913
133 H LYS 19 H LYS 19 9.425 22.752 -6.114
134 HA LYS 19 HA LYS 19 10.120 25.451 -5.383
135 HB2 LYS 19 2HB LYS 19 9.387 22.978 -3.836
136 HB3 LYS 19 3HB LYS 19 9.975 24.421 -3.019
137 HG2 LYS 19 2HG LYS 19 8.118 25.691 -3.699
138 HG3 LYS 19 3HG LYS 19 7.635 24.489 -4.898
139 HD2 LYS 19 2HD LYS 19 6.281 23.598 -3.374
140 HD3 LYS 19 3HD LYS 19 7.706 23.141 -2.437
141 HE2 LYS 19 2HE LYS 19 7.648 25.392 -1.376
142 HE3 LYS 19 3HE LYS 19 6.135 25.706 -2.223
143 HZ1 LYS 19 3HZ LYS 19 6.160 24.758 0.203
144 HZ2 LYS 19 1HZ LYS 19 6.333 23.278 -0.598
145 HZ3 LYS 19 2HZ LYS 19 4.991 24.259 -0.912
146 H ALA 20 H ALA 20 11.697 22.335 -5.486
147 HA ALA 20 HA ALA 20 13.922 22.978 -3.858
148 HB1 ALA 20 1HB ALA 20 14.036 20.762 -4.085
149 HB2 ALA 20 2HB ALA 20 13.105 20.782 -5.583
150 HB3 ALA 20 3HB ALA 20 14.844 21.076 -5.621
151 H ALA 21 H ALA 21 13.260 23.347 -7.296
152 HA ALA 21 HA ALA 21 15.906 24.078 -8.039
153 HB1 ALA 21 1HB ALA 21 13.808 23.308 -9.465
154 HB2 ALA 21 2HB ALA 21 13.596 25.052 -9.627
155 HB3 ALA 21 3HB ALA 21 15.098 24.293 -10.156
156 H THR 22 H THR 22 13.033 25.893 -7.085
157 HA THR 22 HA THR 22 14.272 28.451 -7.558
158 HB THR 22 HB THR 22 11.707 27.766 -6.108
159 HG1 THR 22 HG1 THR 22 12.024 28.884 -8.703
160 HG21 THR 22 3HG2 THR 22 12.848 30.409 -7.008
161 HG22 THR 22 1HG2 THR 22 12.468 29.914 -5.360
162 HG23 THR 22 2HG2 THR 22 11.169 30.175 -6.524
163 H ASP 23 H ASP 23 14.031 26.213 -4.938
164 HA ASP 23 HA ASP 23 14.581 28.092 -2.846
165 HB2 ASP 23 2HB ASP 23 13.435 26.085 -2.234
166 HB3 ASP 23 3HB ASP 23 14.676 25.077 -2.972
167 H VAL 24 H VAL 24 16.496 25.889 -4.823
168 HA VAL 24 HA VAL 24 18.938 26.282 -3.415
169 HB VAL 24 HB VAL 24 18.482 25.331 -6.247
170 HG11 VAL 24 1HG1 VAL 24 20.905 25.849 -4.705
171 HG12 VAL 24 2HG1 VAL 24 20.826 24.215 -5.369
172 HG13 VAL 24 3HG1 VAL 24 20.693 25.611 -6.440
173 HG21 VAL 24 3HG2 VAL 24 17.728 24.106 -3.912
174 HG22 VAL 24 1HG2 VAL 24 18.042 23.289 -5.444
175 HG23 VAL 24 2HG2 VAL 24 19.312 23.396 -4.225
176 H VAL 25 H VAL 25 17.388 27.870 -6.137
177 HA VAL 25 HA VAL 25 19.640 29.410 -6.938
178 HB VAL 25 HB VAL 25 16.699 29.936 -7.395
179 HG11 VAL 25 1HG1 VAL 25 19.183 31.201 -8.506
180 HG12 VAL 25 2HG1 VAL 25 17.656 31.224 -9.392
181 HG13 VAL 25 3HG1 VAL 25 17.765 31.978 -7.800
182 HG21 VAL 25 3HG2 VAL 25 16.739 28.454 -9.070
183 HG22 VAL 25 1HG2 VAL 25 18.312 29.011 -9.639
184 HG23 VAL 25 2HG2 VAL 25 18.214 27.838 -8.326
185 H ALA 26 H ALA 26 16.984 29.939 -4.690
186 HA ALA 26 HA ALA 26 17.702 32.683 -4.184
187 HB1 ALA 26 1HB ALA 26 15.852 30.943 -2.565
188 HB2 ALA 26 2HB ALA 26 15.903 32.706 -2.621
189 HB3 ALA 26 3HB ALA 26 15.366 31.794 -4.032
190 H ALA 27 H ALA 27 18.304 29.557 -2.722
191 HA ALA 27 HA ALA 27 19.234 30.390 -0.217
192 HB1 ALA 27 1HB ALA 27 20.099 27.995 -1.833
193 HB2 ALA 27 2HB ALA 27 20.362 28.225 -0.104
194 HB3 ALA 27 3HB ALA 27 18.723 28.061 -0.733
195 H TRP 28 H TRP 28 20.631 30.694 -3.331
196 HA TRP 28 HA TRP 28 23.363 30.691 -2.723
197 HB2 TRP 28 2HB TRP 28 21.819 31.135 -4.988
198 HB3 TRP 28 3HB TRP 28 22.638 32.673 -4.733
199 HD1 TRP 28 HD1 TRP 28 24.882 32.825 -5.933
200 HE1 TRP 28 HE1 TRP 28 26.679 31.159 -6.721
201 HE3 TRP 28 HE3 TRP 28 22.801 28.496 -4.181
202 HZ2 TRP 28 HZ2 TRP 28 27.152 28.378 -6.613
203 HZ3 TRP 28 HZ3 TRP 28 23.990 26.377 -4.565
204 HH2 TRP 28 HH2 TRP 28 26.120 26.321 -5.757
205 H LYS 29 H LYS 29 20.891 33.038 -2.112
206 HA LYS 29 HA LYS 29 22.630 35.271 -1.720
207 HB2 LYS 29 2HB LYS 29 20.712 36.446 -0.978
208 HB3 LYS 29 3HB LYS 29 20.150 35.368 -2.250
209 HG2 LYS 29 2HG LYS 29 19.688 33.775 -0.187
210 HG3 LYS 29 3HG LYS 29 19.604 35.320 0.663
211 HD2 LYS 29 2HD LYS 29 18.136 35.168 -1.892
212 HD3 LYS 29 3HD LYS 29 17.502 34.175 -0.577
213 HE2 LYS 29 2HE LYS 29 18.222 37.004 0.000
214 HE3 LYS 29 3HE LYS 29 16.746 36.685 -0.910
215 HZ1 LYS 29 3HZ LYS 29 16.810 36.751 1.725
216 HZ2 LYS 29 1HZ LYS 29 17.163 35.111 1.506
217 HZ3 LYS 29 2HZ LYS 29 15.737 35.761 0.870
218 H SER 30 H SER 30 21.359 32.718 0.307
219 HA SER 30 HA SER 30 21.896 33.823 2.824
220 HB2 SER 30 2HB SER 30 20.541 31.847 2.677
221 HB3 SER 30 3HB SER 30 21.839 30.946 1.892
222 HG SER 30 HG SER 30 21.613 31.763 4.579
Start of MODEL 10
1 H1 VAL 1 H VAL 1 1.643 -0.987 0.550
2 HA VAL 1 HA VAL 1 2.965 -0.740 -1.418
3 HB VAL 1 HB VAL 1 1.310 -0.418 -3.261
4 HG11 VAL 1 1HG1 VAL 1 1.621 -2.513 -1.579
5 HG12 VAL 1 2HG1 VAL 1 -0.110 -2.211 -1.412
6 HG13 VAL 1 3HG1 VAL 1 0.581 -2.532 -3.003
7 HG21 VAL 1 3HG2 VAL 1 -1.005 -0.410 -1.498
8 HG22 VAL 1 1HG2 VAL 1 -0.063 1.078 -1.396
9 HG23 VAL 1 2HG2 VAL 1 -0.688 0.535 -2.953
10 H LYS 2 H LYS 2 3.423 0.619 -3.355
11 HA LYS 2 HA LYS 2 3.976 3.318 -2.514
12 HB2 LYS 2 2HB LYS 2 5.352 3.482 -4.419
13 HB3 LYS 2 3HB LYS 2 5.523 1.816 -3.882
14 HG2 LYS 2 2HG LYS 2 5.227 1.430 -6.089
15 HG3 LYS 2 3HG LYS 2 3.530 1.470 -5.607
16 HD2 LYS 2 2HD LYS 2 3.429 2.930 -7.349
17 HD3 LYS 2 3HD LYS 2 3.870 4.068 -6.074
18 HE2 LYS 2 2HE LYS 2 6.082 4.190 -6.776
19 HE3 LYS 2 3HE LYS 2 5.988 2.666 -7.658
20 HZ1 LYS 2 3HZ LYS 2 4.171 4.142 -8.950
21 HZ2 LYS 2 1HZ LYS 2 5.790 4.010 -9.423
22 HZ3 LYS 2 2HZ LYS 2 5.282 5.339 -8.510
23 H GLY 3 H GLY 3 1.521 1.731 -4.297
24 HA2 GLY 3 2HA GLY 3 0.732 3.838 -6.016
25 HA3 GLY 3 3HA GLY 3 -0.278 2.493 -5.505
26 H ARG 4 H ARG 4 -0.103 3.045 -2.687
27 HA ARG 4 HA ARG 4 -2.257 4.867 -2.453
28 HB2 ARG 4 2HB ARG 4 -0.468 3.533 -0.429
29 HB3 ARG 4 3HB ARG 4 -1.750 4.639 0.044
30 HG2 ARG 4 2HG ARG 4 -2.206 2.173 -1.616
31 HG3 ARG 4 3HG ARG 4 -2.348 2.218 0.143
32 HD2 ARG 4 2HD ARG 4 -3.825 4.319 -1.288
33 HD3 ARG 4 3HD ARG 4 -4.393 2.676 -1.579
34 HE ARG 4 HE ARG 4 -4.006 3.295 1.202
35 HH11 ARG 4 1HH1 ARG 4 -6.218 3.419 -1.484
36 HH12 ARG 4 2HH1 ARG 4 -7.633 3.466 -0.484
37 HH21 ARG 4 1HH2 ARG 4 -5.861 3.357 2.528
38 HH22 ARG 4 2HH2 ARG 4 -7.429 3.432 1.797
39 H ILE 5 H ILE 5 1.207 5.129 -1.821
40 HA ILE 5 HA ILE 5 0.952 7.857 -0.878
41 HB ILE 5 HB ILE 5 3.430 7.801 -0.742
42 HG12 ILE 5 2HG1 ILE 5 3.251 4.872 -1.414
43 HG13 ILE 5 3HG1 ILE 5 3.570 6.078 -2.656
44 HG21 ILE 5 1HG2 ILE 5 1.546 6.428 0.820
45 HG22 ILE 5 2HG2 ILE 5 2.952 5.372 0.702
46 HG23 ILE 5 3HG2 ILE 5 3.133 7.016 1.313
47 HD11 ILE 5 3HD1 ILE 5 5.461 4.797 -1.185
48 HD12 ILE 5 1HD1 ILE 5 5.692 6.333 -2.019
49 HD13 ILE 5 2HD1 ILE 5 5.283 6.314 -0.303
50 H ASP 6 H ASP 6 1.449 6.232 -3.850
51 HA ASP 6 HA ASP 6 2.905 8.245 -5.224
52 HB2 ASP 6 2HB ASP 6 2.907 6.031 -6.132
53 HB3 ASP 6 3HB ASP 6 1.147 5.990 -6.196
54 H ALA 7 H ALA 7 -0.518 7.636 -4.705
55 HA ALA 7 HA ALA 7 -1.581 9.411 -6.584
56 HB1 ALA 7 1HB ALA 7 -2.551 8.109 -4.118
57 HB2 ALA 7 2HB ALA 7 -3.437 9.538 -4.653
58 HB3 ALA 7 3HB ALA 7 -3.258 8.156 -5.733
59 HA PRO 8 HA PRO 8 -1.575 12.772 -3.105
60 HB2 PRO 8 2HB PRO 8 -0.086 12.259 -0.894
61 HB3 PRO 8 3HB PRO 8 -1.787 11.802 -1.033
62 HG2 PRO 8 2HG PRO 8 0.662 10.126 -1.422
63 HG3 PRO 8 3HG PRO 8 -0.846 9.725 -0.579
64 HD2 PRO 8 2HD PRO 8 -0.312 8.873 -3.093
65 HD3 PRO 8 3HD PRO 8 -1.959 9.237 -2.537
66 H ASP 9 H ASP 9 1.338 10.875 -3.625
67 HA ASP 9 HA ASP 9 3.105 13.137 -3.362
68 HB2 ASP 9 2HB ASP 9 3.507 10.282 -4.246
69 HB3 ASP 9 3HB ASP 9 4.803 11.474 -4.298
70 H PHE 10 H PHE 10 1.160 11.814 -5.823
71 HA PHE 10 HA PHE 10 2.622 12.375 -8.130
72 HB2 PHE 10 2HB PHE 10 0.030 11.502 -7.532
73 HB3 PHE 10 3HB PHE 10 -0.192 12.968 -8.482
74 HD1 PHE 10 HD1 PHE 10 1.568 13.061 -10.558
75 HD2 PHE 10 HD2 PHE 10 0.006 9.554 -8.722
76 HE1 PHE 10 HE1 PHE 10 2.001 11.793 -12.621
77 HE2 PHE 10 HE2 PHE 10 0.438 8.279 -10.781
78 HZ PHE 10 HZ PHE 10 1.437 9.398 -12.734
79 HA PRO 11 HA PRO 11 0.572 16.761 -8.117
80 HB2 PRO 11 2HB PRO 11 -0.584 17.565 -5.796
81 HB3 PRO 11 3HB PRO 11 -1.468 16.705 -7.062
82 HG2 PRO 11 2HG PRO 11 -0.276 15.645 -4.529
83 HG3 PRO 11 3HG PRO 11 -1.849 15.282 -5.262
84 HD2 PRO 11 2HD PRO 11 0.281 13.627 -5.493
85 HD3 PRO 11 3HD PRO 11 -0.945 13.787 -6.766
86 H SER 12 H SER 12 2.137 15.515 -5.246
87 HA SER 12 HA SER 12 3.352 18.047 -4.565
88 HB2 SER 12 2HB SER 12 2.818 15.692 -3.173
89 HB3 SER 12 3HB SER 12 4.575 15.716 -3.324
90 HG SER 12 HG SER 12 2.913 17.736 -2.226
91 H SER 13 H SER 13 4.053 15.401 -6.611
92 HA SER 13 HA SER 13 6.840 15.354 -6.604
93 HB2 SER 13 2HB SER 13 5.945 13.619 -7.839
94 HB3 SER 13 3HB SER 13 4.739 14.649 -8.609
95 HG SER 13 HG SER 13 7.294 14.048 -9.396
96 HA PRO 14 HA PRO 14 6.660 18.726 -10.084
97 HB2 PRO 14 2HB PRO 14 4.340 20.119 -10.296
98 HB3 PRO 14 3HB PRO 14 4.657 18.636 -11.205
99 HG2 PRO 14 2HG PRO 14 3.082 19.015 -8.687
100 HG3 PRO 14 3HG PRO 14 2.696 18.030 -10.111
101 HD2 PRO 14 2HD PRO 14 3.717 16.969 -7.838
102 HD3 PRO 14 3HD PRO 14 4.072 16.304 -9.445
103 H ALA 15 H ALA 15 5.027 19.145 -7.026
104 HA ALA 15 HA ALA 15 5.651 21.949 -6.801
105 HB1 ALA 15 1HB ALA 15 5.010 20.633 -4.300
106 HB2 ALA 15 2HB ALA 15 4.163 21.930 -5.145
107 HB3 ALA 15 3HB ALA 15 3.848 20.248 -5.571
108 H ILE 16 H ILE 16 6.925 18.915 -5.509
109 HA ILE 16 HA ILE 16 8.861 20.152 -3.819
110 HB ILE 16 HB ILE 16 8.568 17.337 -4.847
111 HG12 ILE 16 2HG1 ILE 16 8.397 18.368 -2.017
112 HG13 ILE 16 3HG1 ILE 16 7.000 18.321 -3.087
113 HG21 ILE 16 1HG2 ILE 16 10.704 18.483 -3.062
114 HG22 ILE 16 2HG2 ILE 16 10.347 16.761 -3.176
115 HG23 ILE 16 3HG2 ILE 16 10.915 17.638 -4.596
116 HD11 ILE 16 3HD1 ILE 16 8.207 16.216 -1.541
117 HD12 ILE 16 1HD1 ILE 16 6.648 16.260 -2.364
118 HD13 ILE 16 2HD1 ILE 16 8.098 15.775 -3.245
119 H LEU 17 H LEU 17 8.925 18.796 -7.081
120 HA LEU 17 HA LEU 17 11.734 19.098 -7.439
121 HB2 LEU 17 2HB LEU 17 10.352 17.516 -8.727
122 HB3 LEU 17 3HB LEU 17 9.554 18.879 -9.510
123 HG LEU 17 HG LEU 17 12.497 18.772 -9.761
124 HD11 LEU 17 1HD1 LEU 17 12.577 17.044 -11.341
125 HD12 LEU 17 2HD1 LEU 17 10.820 16.942 -11.450
126 HD13 LEU 17 3HD1 LEU 17 11.647 16.382 -9.996
127 HD21 LEU 17 3HD2 LEU 17 10.827 20.433 -10.796
128 HD22 LEU 17 1HD2 LEU 17 10.447 19.127 -11.918
129 HD23 LEU 17 2HD2 LEU 17 12.090 19.762 -11.829
130 H GLY 18 H GLY 18 8.948 21.145 -7.984
131 HA2 GLY 18 2HA GLY 18 10.428 23.102 -9.510
132 HA3 GLY 18 3HA GLY 18 8.771 23.252 -8.944
133 H LYS 19 H LYS 19 9.568 22.602 -6.166
134 HA LYS 19 HA LYS 19 10.218 25.292 -5.364
135 HB2 LYS 19 2HB LYS 19 9.494 22.770 -3.902
136 HB3 LYS 19 3HB LYS 19 10.104 24.168 -3.026
137 HG2 LYS 19 2HG LYS 19 8.265 25.510 -3.744
138 HG3 LYS 19 3HG LYS 19 7.711 24.249 -4.848
139 HD2 LYS 19 2HD LYS 19 6.306 23.856 -3.090
140 HD3 LYS 19 3HD LYS 19 7.658 22.827 -2.614
141 HE2 LYS 19 2HE LYS 19 7.555 25.683 -1.733
142 HE3 LYS 19 3HE LYS 19 6.606 24.462 -0.886
143 HZ1 LYS 19 3HZ LYS 19 8.609 24.539 0.263
144 HZ2 LYS 19 1HZ LYS 19 9.542 24.657 -1.143
145 HZ3 LYS 19 2HZ LYS 19 8.796 23.192 -0.744
146 H ALA 20 H ALA 20 11.842 22.201 -5.531
147 HA ALA 20 HA ALA 20 14.056 22.845 -3.891
148 HB1 ALA 20 1HB ALA 20 13.271 20.672 -5.658
149 HB2 ALA 20 2HB ALA 20 15.005 20.993 -5.695
150 HB3 ALA 20 3HB ALA 20 14.208 20.636 -4.163
151 H ALA 21 H ALA 21 13.388 23.278 -7.319
152 HA ALA 21 HA ALA 21 16.025 24.062 -8.046
153 HB1 ALA 21 1HB ALA 21 15.213 24.008 -10.119
154 HB2 ALA 21 2HB ALA 21 13.696 23.457 -9.409
155 HB3 ALA 21 3HB ALA 21 13.945 25.172 -9.735
156 H THR 22 H THR 22 13.125 25.813 -7.055
157 HA THR 22 HA THR 22 14.324 28.399 -7.474
158 HB THR 22 HB THR 22 11.769 27.641 -6.045
159 HG1 THR 22 HG1 THR 22 12.440 28.209 -8.703
160 HG21 THR 22 3HG2 THR 22 11.180 30.024 -6.313
161 HG22 THR 22 1HG2 THR 22 12.803 30.339 -6.927
162 HG23 THR 22 2HG2 THR 22 12.579 29.794 -5.264
163 H ASP 23 H ASP 23 14.117 26.104 -4.901
164 HA ASP 23 HA ASP 23 14.639 27.947 -2.771
165 HB2 ASP 23 2HB ASP 23 14.519 24.973 -3.043
166 HB3 ASP 23 3HB ASP 23 15.318 25.659 -1.630
167 H VAL 24 H VAL 24 16.587 25.814 -4.792
168 HA VAL 24 HA VAL 24 19.022 26.215 -3.376
169 HB VAL 24 HB VAL 24 18.580 25.315 -6.226
170 HG11 VAL 24 1HG1 VAL 24 20.870 24.317 -5.939
171 HG12 VAL 24 2HG1 VAL 24 20.825 26.078 -6.042
172 HG13 VAL 24 3HG1 VAL 24 21.031 25.290 -4.477
173 HG21 VAL 24 3HG2 VAL 24 17.886 24.033 -3.881
174 HG22 VAL 24 1HG2 VAL 24 18.125 23.271 -5.453
175 HG23 VAL 24 2HG2 VAL 24 19.450 23.328 -4.291
176 H VAL 25 H VAL 25 17.452 27.831 -6.070
177 HA VAL 25 HA VAL 25 19.680 29.422 -6.836
178 HB VAL 25 HB VAL 25 16.733 29.910 -7.289
179 HG11 VAL 25 1HG1 VAL 25 19.175 31.169 -8.527
180 HG12 VAL 25 2HG1 VAL 25 17.542 31.327 -9.176
181 HG13 VAL 25 3HG1 VAL 25 17.922 31.967 -7.577
182 HG21 VAL 25 3HG2 VAL 25 16.800 28.471 -9.002
183 HG22 VAL 25 1HG2 VAL 25 18.376 29.050 -9.541
184 HG23 VAL 25 2HG2 VAL 25 18.270 27.850 -8.253
185 H ALA 26 H ALA 26 17.014 29.863 -4.582
186 HA ALA 26 HA ALA 26 17.685 32.609 -4.021
187 HB1 ALA 26 1HB ALA 26 15.710 32.703 -2.963
188 HB2 ALA 26 2HB ALA 26 15.407 31.150 -3.743
189 HB3 ALA 26 3HB ALA 26 15.996 31.203 -2.082
190 H ALA 27 H ALA 27 18.340 29.466 -2.620
191 HA ALA 27 HA ALA 27 19.254 30.265 -0.098
192 HB1 ALA 27 1HB ALA 27 18.871 27.977 -0.369
193 HB2 ALA 27 2HB ALA 27 19.864 27.889 -1.825
194 HB3 ALA 27 3HB ALA 27 20.626 28.109 -0.250
195 H TRP 28 H TRP 28 20.647 30.654 -3.205
196 HA TRP 28 HA TRP 28 23.378 30.687 -2.594
197 HB2 TRP 28 2HB TRP 28 21.874 31.083 -4.860
198 HB3 TRP 28 3HB TRP 28 22.541 32.687 -4.571
199 HD1 TRP 28 HD1 TRP 28 23.501 29.224 -5.743
200 HE1 TRP 28 HE1 TRP 28 25.952 29.241 -6.529
201 HE3 TRP 28 HE3 TRP 28 24.857 33.862 -4.072
202 HZ2 TRP 28 HZ2 TRP 28 28.167 30.989 -6.450
203 HZ3 TRP 28 HZ3 TRP 28 27.161 34.631 -4.468
204 HH2 TRP 28 HH2 TRP 28 28.780 33.223 -5.632
205 H LYS 29 H LYS 29 20.866 32.979 -1.942
206 HA LYS 29 HA LYS 29 22.564 35.234 -1.505
207 HB2 LYS 29 2HB LYS 29 20.626 36.359 -0.739
208 HB3 LYS 29 3HB LYS 29 20.083 35.297 -2.031
209 HG2 LYS 29 2HG LYS 29 19.652 33.654 -0.001
210 HG3 LYS 29 3HG LYS 29 19.541 35.180 0.881
211 HD2 LYS 29 2HD LYS 29 18.042 34.812 -1.683
212 HD3 LYS 29 3HD LYS 29 17.401 34.147 -0.178
213 HE2 LYS 29 2HE LYS 29 18.211 36.776 0.398
214 HE3 LYS 29 3HE LYS 29 17.354 36.851 -1.141
215 HZ1 LYS 29 3HZ LYS 29 16.275 36.612 1.427
216 HZ2 LYS 29 1HZ LYS 29 15.918 35.184 0.591
217 HZ3 LYS 29 2HZ LYS 29 15.452 36.678 -0.050
218 H SER 30 H SER 30 21.342 32.619 0.473
219 HA SER 30 HA SER 30 22.007 33.756 2.990
220 HB2 SER 30 2HB SER 30 20.460 31.720 2.391
221 HB3 SER 30 3HB SER 30 21.950 30.791 2.550
222 HG SER 30 HG SER 30 20.363 31.781 4.477
Start of MODEL 11
1 H1 VAL 1 H VAL 1 1.020 -1.007 -0.158
2 HA VAL 1 HA VAL 1 3.174 -0.736 -1.475
3 HB VAL 1 HB VAL 1 2.052 -0.603 -3.716
4 HG11 VAL 1 1HG1 VAL 1 1.300 -2.510 -1.563
5 HG12 VAL 1 2HG1 VAL 1 0.472 -2.633 -3.116
6 HG13 VAL 1 3HG1 VAL 1 2.228 -2.778 -3.038
7 HG21 VAL 1 3HG2 VAL 1 -0.386 -0.552 -3.794
8 HG22 VAL 1 1HG2 VAL 1 -0.445 -0.308 -2.048
9 HG23 VAL 1 2HG2 VAL 1 0.251 0.934 -3.089
10 H LYS 2 H LYS 2 3.588 0.624 -3.653
11 HA LYS 2 HA LYS 2 4.102 3.303 -2.728
12 HB2 LYS 2 2HB LYS 2 5.486 3.542 -4.619
13 HB3 LYS 2 3HB LYS 2 5.676 1.862 -4.131
14 HG2 LYS 2 2HG LYS 2 5.398 1.539 -6.350
15 HG3 LYS 2 3HG LYS 2 3.697 1.543 -5.878
16 HD2 LYS 2 2HD LYS 2 3.588 3.055 -7.576
17 HD3 LYS 2 3HD LYS 2 4.007 4.159 -6.264
18 HE2 LYS 2 2HE LYS 2 6.284 4.205 -6.910
19 HE3 LYS 2 3HE LYS 2 6.077 2.836 -8.001
20 HZ1 LYS 2 3HZ LYS 2 4.605 4.248 -9.358
21 HZ2 LYS 2 1HZ LYS 2 6.184 4.850 -9.267
22 HZ3 LYS 2 2HZ LYS 2 4.954 5.562 -8.350
23 H GLY 3 H GLY 3 1.677 1.740 -4.574
24 HA2 GLY 3 2HA GLY 3 0.872 3.888 -6.232
25 HA3 GLY 3 3HA GLY 3 -0.124 2.517 -5.769
26 H ARG 4 H ARG 4 0.028 2.985 -2.934
27 HA ARG 4 HA ARG 4 -2.150 4.772 -2.660
28 HB2 ARG 4 2HB ARG 4 -0.340 3.494 -0.607
29 HB3 ARG 4 3HB ARG 4 -1.760 4.447 -0.196
30 HG2 ARG 4 2HG ARG 4 -1.827 1.967 -1.899
31 HG3 ARG 4 3HG ARG 4 -2.126 1.992 -0.160
32 HD2 ARG 4 2HD ARG 4 -3.691 3.957 -1.652
33 HD3 ARG 4 3HD ARG 4 -4.026 2.289 -2.114
34 HE ARG 4 HE ARG 4 -4.011 2.726 0.728
35 HH11 ARG 4 1HH1 ARG 4 -5.927 2.821 -2.177
36 HH12 ARG 4 2HH1 ARG 4 -7.435 2.635 -1.344
37 HH21 ARG 4 1HH2 ARG 4 -5.989 2.480 1.836
38 HH22 ARG 4 2HH2 ARG 4 -7.469 2.442 0.939
39 H ILE 5 H ILE 5 1.307 5.058 -1.998
40 HA ILE 5 HA ILE 5 1.011 7.753 -0.975
41 HB ILE 5 HB ILE 5 3.490 7.723 -0.827
42 HG12 ILE 5 2HG1 ILE 5 3.351 4.812 -1.583
43 HG13 ILE 5 3HG1 ILE 5 3.659 6.057 -2.789
44 HG21 ILE 5 1HG2 ILE 5 1.643 6.441 0.750
45 HG22 ILE 5 2HG2 ILE 5 2.872 5.203 0.497
46 HG23 ILE 5 3HG2 ILE 5 3.322 6.764 1.184
47 HD11 ILE 5 3HD1 ILE 5 5.803 5.749 -2.292
48 HD12 ILE 5 1HD1 ILE 5 5.464 6.674 -0.829
49 HD13 ILE 5 2HD1 ILE 5 5.428 4.911 -0.786
50 H ASP 6 H ASP 6 1.546 6.224 -3.992
51 HA ASP 6 HA ASP 6 2.985 8.296 -5.295
52 HB2 ASP 6 2HB ASP 6 3.036 6.130 -6.288
53 HB3 ASP 6 3HB ASP 6 1.278 6.031 -6.326
54 H ALA 7 H ALA 7 -0.433 7.629 -4.816
55 HA ALA 7 HA ALA 7 -1.508 9.447 -6.648
56 HB1 ALA 7 1HB ALA 7 -3.177 8.153 -5.848
57 HB2 ALA 7 2HB ALA 7 -2.476 8.053 -4.233
58 HB3 ALA 7 3HB ALA 7 -3.372 9.493 -4.718
59 HA PRO 8 HA PRO 8 -1.564 12.702 -3.069
60 HB2 PRO 8 2HB PRO 8 -0.081 12.141 -0.865
61 HB3 PRO 8 3HB PRO 8 -1.776 11.667 -1.028
62 HG2 PRO 8 2HG PRO 8 0.696 10.033 -1.453
63 HG3 PRO 8 3HG PRO 8 -0.811 9.589 -0.631
64 HD2 PRO 8 2HD PRO 8 -0.252 8.820 -3.166
65 HD3 PRO 8 3HD PRO 8 -1.906 9.146 -2.610
66 H ASP 9 H ASP 9 1.376 10.857 -3.628
67 HA ASP 9 HA ASP 9 3.112 13.132 -3.286
68 HB2 ASP 9 2HB ASP 9 3.556 10.310 -4.253
69 HB3 ASP 9 3HB ASP 9 4.836 11.519 -4.261
70 H PHE 10 H PHE 10 1.199 11.860 -5.797
71 HA PHE 10 HA PHE 10 2.667 12.507 -8.077
72 HB2 PHE 10 2HB PHE 10 0.109 11.551 -7.542
73 HB3 PHE 10 3HB PHE 10 -0.171 13.070 -8.386
74 HD1 PHE 10 HD1 PHE 10 2.244 10.239 -8.708
75 HD2 PHE 10 HD2 PHE 10 -0.555 12.810 -10.623
76 HE1 PHE 10 HE1 PHE 10 2.692 9.122 -10.854
77 HE2 PHE 10 HE2 PHE 10 -0.112 11.697 -12.772
78 HZ PHE 10 HZ PHE 10 1.513 9.849 -12.889
79 HA PRO 11 HA PRO 11 0.562 16.866 -7.946
80 HB2 PRO 11 2HB PRO 11 -0.617 17.586 -5.609
81 HB3 PRO 11 3HB PRO 11 -1.483 16.753 -6.905
82 HG2 PRO 11 2HG PRO 11 -0.292 15.631 -4.398
83 HG3 PRO 11 3HG PRO 11 -1.857 15.272 -5.152
84 HD2 PRO 11 2HD PRO 11 0.296 13.651 -5.418
85 HD3 PRO 11 3HD PRO 11 -0.925 13.834 -6.694
86 H SER 12 H SER 12 2.126 15.553 -5.104
87 HA SER 12 HA SER 12 3.306 18.078 -4.339
88 HB2 SER 12 2HB SER 12 4.247 15.430 -3.290
89 HB3 SER 12 3HB SER 12 4.123 16.979 -2.456
90 HG SER 12 HG SER 12 2.042 15.197 -3.163
91 H SER 13 H SER 13 4.052 15.504 -6.460
92 HA SER 13 HA SER 13 6.839 15.491 -6.437
93 HB2 SER 13 2HB SER 13 5.973 13.783 -7.729
94 HB3 SER 13 3HB SER 13 4.758 14.821 -8.475
95 HG SER 13 HG SER 13 7.226 14.190 -9.353
96 HA PRO 14 HA PRO 14 6.637 18.964 -9.816
97 HB2 PRO 14 2HB PRO 14 4.300 20.334 -10.000
98 HB3 PRO 14 3HB PRO 14 4.641 18.883 -10.951
99 HG2 PRO 14 2HG PRO 14 3.047 19.166 -8.433
100 HG3 PRO 14 3HG PRO 14 2.682 18.220 -9.887
101 HD2 PRO 14 2HD PRO 14 3.703 17.104 -7.641
102 HD3 PRO 14 3HD PRO 14 4.076 16.492 -9.266
103 H ALA 15 H ALA 15 4.981 19.270 -6.756
104 HA ALA 15 HA ALA 15 5.568 22.074 -6.444
105 HB1 ALA 15 1HB ALA 15 4.228 19.982 -4.819
106 HB2 ALA 15 2HB ALA 15 4.872 21.394 -3.980
107 HB3 ALA 15 3HB ALA 15 3.679 21.599 -5.263
108 H ILE 16 H ILE 16 6.873 19.019 -5.235
109 HA ILE 16 HA ILE 16 8.784 20.228 -3.497
110 HB ILE 16 HB ILE 16 8.532 17.441 -4.610
111 HG12 ILE 16 2HG1 ILE 16 6.892 18.157 -2.901
112 HG13 ILE 16 3HG1 ILE 16 7.938 16.868 -2.317
113 HG21 ILE 16 1HG2 ILE 16 10.643 18.560 -2.779
114 HG22 ILE 16 2HG2 ILE 16 10.308 16.838 -2.946
115 HG23 ILE 16 3HG2 ILE 16 10.874 17.764 -4.336
116 HD11 ILE 16 3HD1 ILE 16 9.131 19.357 -1.657
117 HD12 ILE 16 1HD1 ILE 16 7.440 19.390 -1.159
118 HD13 ILE 16 2HD1 ILE 16 8.505 18.107 -0.583
119 H LEU 17 H LEU 17 8.883 18.972 -6.798
120 HA LEU 17 HA LEU 17 11.690 19.319 -7.130
121 HB2 LEU 17 2HB LEU 17 10.176 17.795 -8.459
122 HB3 LEU 17 3HB LEU 17 9.619 19.234 -9.310
123 HG LEU 17 HG LEU 17 12.539 18.810 -9.282
124 HD11 LEU 17 1HD1 LEU 17 10.675 16.755 -10.213
125 HD12 LEU 17 2HD1 LEU 17 12.399 16.652 -9.859
126 HD13 LEU 17 3HD1 LEU 17 11.854 17.270 -11.418
127 HD21 LEU 17 3HD2 LEU 17 11.148 20.604 -10.495
128 HD22 LEU 17 1HD2 LEU 17 10.747 19.316 -11.631
129 HD23 LEU 17 2HD2 LEU 17 12.430 19.789 -11.392
130 H GLY 18 H GLY 18 8.881 21.347 -7.630
131 HA2 GLY 18 2HA GLY 18 10.345 23.367 -9.087
132 HA3 GLY 18 3HA GLY 18 8.683 23.479 -8.527
133 H LYS 19 H LYS 19 9.473 22.756 -5.765
134 HA LYS 19 HA LYS 19 10.084 25.429 -4.880
135 HB2 LYS 19 2HB LYS 19 9.393 22.855 -3.492
136 HB3 LYS 19 3HB LYS 19 9.967 24.242 -2.577
137 HG2 LYS 19 2HG LYS 19 8.090 25.514 -3.086
138 HG3 LYS 19 3HG LYS 19 7.659 24.499 -4.464
139 HD2 LYS 19 2HD LYS 19 6.536 23.030 -3.183
140 HD3 LYS 19 3HD LYS 19 7.739 23.089 -1.892
141 HE2 LYS 19 2HE LYS 19 6.167 25.545 -2.216
142 HE3 LYS 19 3HE LYS 19 5.227 24.133 -1.738
143 HZ1 LYS 19 3HZ LYS 19 7.233 25.612 -0.251
144 HZ2 LYS 19 1HZ LYS 19 7.299 23.929 -0.086
145 HZ3 LYS 19 2HZ LYS 19 5.880 24.762 0.304
146 H ALA 20 H ALA 20 11.748 22.364 -5.129
147 HA ALA 20 HA ALA 20 13.945 22.987 -3.457
148 HB1 ALA 20 1HB ALA 20 13.443 20.956 -5.590
149 HB2 ALA 20 2HB ALA 20 15.069 21.167 -4.938
150 HB3 ALA 20 3HB ALA 20 13.740 20.725 -3.867
151 H ALA 21 H ALA 21 13.291 23.512 -6.875
152 HA ALA 21 HA ALA 21 15.921 24.351 -7.563
153 HB1 ALA 21 1HB ALA 21 13.557 23.803 -8.940
154 HB2 ALA 21 2HB ALA 21 13.899 25.504 -9.259
155 HB3 ALA 21 3HB ALA 21 15.110 24.276 -9.629
156 H THR 22 H THR 22 12.994 26.034 -6.537
157 HA THR 22 HA THR 22 14.162 28.647 -6.874
158 HB THR 22 HB THR 22 11.621 27.852 -5.438
159 HG1 THR 22 HG1 THR 22 11.721 29.075 -7.975
160 HG21 THR 22 3HG2 THR 22 11.168 30.360 -6.200
161 HG22 THR 22 1HG2 THR 22 12.920 30.458 -6.031
162 HG23 THR 22 2HG2 THR 22 11.927 29.976 -4.655
163 H ASP 23 H ASP 23 13.971 26.275 -4.370
164 HA ASP 23 HA ASP 23 14.459 28.062 -2.185
165 HB2 ASP 23 2HB ASP 23 13.348 25.924 -1.803
166 HB3 ASP 23 3HB ASP 23 14.764 25.059 -2.392
167 H VAL 24 H VAL 24 16.442 26.012 -4.257
168 HA VAL 24 HA VAL 24 18.865 26.404 -2.815
169 HB VAL 24 HB VAL 24 18.450 25.570 -5.690
170 HG11 VAL 24 1HG1 VAL 24 20.894 25.402 -3.931
171 HG12 VAL 24 2HG1 VAL 24 20.735 24.660 -5.524
172 HG13 VAL 24 3HG1 VAL 24 20.694 26.416 -5.360
173 HG21 VAL 24 3HG2 VAL 24 17.732 24.221 -3.404
174 HG22 VAL 24 1HG2 VAL 24 18.044 23.490 -4.978
175 HG23 VAL 24 2HG2 VAL 24 19.326 23.560 -3.768
176 H VAL 25 H VAL 25 17.297 28.060 -5.489
177 HA VAL 25 HA VAL 25 19.512 29.703 -6.185
178 HB VAL 25 HB VAL 25 16.565 30.148 -6.683
179 HG11 VAL 25 1HG1 VAL 25 17.776 31.440 -8.688
180 HG12 VAL 25 2HG1 VAL 25 17.342 32.221 -7.166
181 HG13 VAL 25 3HG1 VAL 25 18.993 31.661 -7.431
182 HG21 VAL 25 3HG2 VAL 25 16.688 28.737 -8.414
183 HG22 VAL 25 1HG2 VAL 25 18.254 29.367 -8.926
184 HG23 VAL 25 2HG2 VAL 25 18.168 28.140 -7.663
185 H ALA 26 H ALA 26 16.790 30.056 -3.980
186 HA ALA 26 HA ALA 26 17.409 32.799 -3.348
187 HB1 ALA 26 1HB ALA 26 15.733 31.697 -1.361
188 HB2 ALA 26 2HB ALA 26 15.290 32.764 -2.695
189 HB3 ALA 26 3HB ALA 26 15.228 31.014 -2.907
190 H ALA 27 H ALA 27 18.135 29.642 -2.044
191 HA ALA 27 HA ALA 27 19.152 30.653 0.457
192 HB1 ALA 27 1HB ALA 27 19.625 27.912 -0.686
193 HB2 ALA 27 2HB ALA 27 19.640 28.408 1.006
194 HB3 ALA 27 3HB ALA 27 18.120 28.369 0.112
195 H TRP 28 H TRP 28 20.474 29.627 -2.639
196 HA TRP 28 HA TRP 28 23.197 29.635 -1.850
197 HB2 TRP 28 2HB TRP 28 22.550 28.435 -3.835
198 HB3 TRP 28 3HB TRP 28 21.895 29.898 -4.565
199 HD1 TRP 28 HD1 TRP 28 23.508 31.316 -6.007
200 HE1 TRP 28 HE1 TRP 28 26.016 31.191 -6.575
201 HE3 TRP 28 HE3 TRP 28 24.913 27.691 -2.687
202 HZ2 TRP 28 HZ2 TRP 28 28.288 29.746 -5.729
203 HZ3 TRP 28 HZ3 TRP 28 27.272 26.994 -2.630
204 HH2 TRP 28 HH2 TRP 28 28.923 28.001 -4.121
205 H LYS 29 H LYS 29 21.073 32.078 -3.260
206 HA LYS 29 HA LYS 29 23.129 34.030 -3.602
207 HB2 LYS 29 2HB LYS 29 21.261 35.595 -4.003
208 HB3 LYS 29 3HB LYS 29 21.115 34.123 -4.955
209 HG2 LYS 29 2HG LYS 29 18.970 34.358 -4.215
210 HG3 LYS 29 3HG LYS 29 19.635 33.339 -2.937
211 HD2 LYS 29 2HD LYS 29 19.103 34.885 -1.432
212 HD3 LYS 29 3HD LYS 29 20.151 36.045 -2.252
213 HE2 LYS 29 2HE LYS 29 18.395 36.893 -3.543
214 HE3 LYS 29 3HE LYS 29 17.372 35.491 -3.234
215 HZ1 LYS 29 3HZ LYS 29 18.183 37.421 -1.133
216 HZ2 LYS 29 1HZ LYS 29 17.026 36.194 -1.007
217 HZ3 LYS 29 2HZ LYS 29 16.733 37.534 -1.997
218 H SER 30 H SER 30 20.988 33.127 -1.008
219 HA SER 30 HA SER 30 21.094 35.459 0.538
220 HB2 SER 30 2HB SER 30 19.966 34.252 2.101
221 HB3 SER 30 3HB SER 30 19.826 33.077 0.794
222 HG SER 30 HG SER 30 21.488 33.056 3.047
Start of MODEL 12
1 H1 VAL 1 H VAL 1 1.412 -1.163 -0.200
2 HA VAL 1 HA VAL 1 3.169 -0.780 -1.876
3 HB VAL 1 HB VAL 1 1.720 -0.430 -3.913
4 HG11 VAL 1 1HG1 VAL 1 0.850 -2.590 -3.826
5 HG12 VAL 1 2HG1 VAL 1 2.182 -2.634 -2.669
6 HG13 VAL 1 3HG1 VAL 1 0.519 -2.491 -2.097
7 HG21 VAL 1 3HG2 VAL 1 -0.365 0.345 -3.761
8 HG22 VAL 1 1HG2 VAL 1 -0.766 -0.790 -2.472
9 HG23 VAL 1 2HG2 VAL 1 0.000 0.751 -2.084
10 H LYS 2 H LYS 2 3.621 0.681 -3.825
11 HA LYS 2 HA LYS 2 4.063 3.344 -2.817
12 HB2 LYS 2 2HB LYS 2 5.498 3.654 -4.655
13 HB3 LYS 2 3HB LYS 2 5.695 1.962 -4.219
14 HG2 LYS 2 2HG LYS 2 5.484 1.716 -6.457
15 HG3 LYS 2 3HG LYS 2 3.772 1.674 -6.029
16 HD2 LYS 2 2HD LYS 2 3.413 3.859 -6.752
17 HD3 LYS 2 3HD LYS 2 5.128 4.268 -6.674
18 HE2 LYS 2 2HE LYS 2 5.504 2.647 -8.548
19 HE3 LYS 2 3HE LYS 2 3.753 2.496 -8.687
20 HZ1 LYS 2 3HZ LYS 2 5.215 5.068 -8.920
21 HZ2 LYS 2 1HZ LYS 2 3.576 4.793 -9.239
22 HZ3 LYS 2 2HZ LYS 2 4.758 4.119 -10.243
23 H GLY 3 H GLY 3 1.713 1.789 -4.759
24 HA2 GLY 3 2HA GLY 3 0.913 3.947 -6.399
25 HA3 GLY 3 3HA GLY 3 -0.081 2.564 -5.966
26 H ARG 4 H ARG 4 0.027 3.013 -3.122
27 HA ARG 4 HA ARG 4 -2.173 4.778 -2.869
28 HB2 ARG 4 2HB ARG 4 -0.394 3.428 -0.843
29 HB3 ARG 4 3HB ARG 4 -1.739 4.461 -0.378
30 HG2 ARG 4 2HG ARG 4 -2.026 2.035 -2.132
31 HG3 ARG 4 3HG ARG 4 -2.238 2.018 -0.380
32 HD2 ARG 4 2HD ARG 4 -3.748 4.099 -1.807
33 HD3 ARG 4 3HD ARG 4 -4.233 2.443 -2.168
34 HE ARG 4 HE ARG 4 -4.765 3.877 0.215
35 HH11 ARG 4 1HH1 ARG 4 -3.959 0.701 -0.962
36 HH12 ARG 4 2HH1 ARG 4 -4.719 -0.124 0.359
37 HH21 ARG 4 1HH2 ARG 4 -5.769 2.803 1.959
38 HH22 ARG 4 2HH2 ARG 4 -5.749 1.073 2.019
39 H ILE 5 H ILE 5 1.271 5.088 -2.147
40 HA ILE 5 HA ILE 5 0.935 7.775 -1.113
41 HB ILE 5 HB ILE 5 2.633 6.246 -0.154
42 HG12 ILE 5 2HG1 ILE 5 4.148 8.512 -1.392
43 HG13 ILE 5 3HG1 ILE 5 2.782 8.869 -0.341
44 HG21 ILE 5 1HG2 ILE 5 4.149 6.659 -2.723
45 HG22 ILE 5 2HG2 ILE 5 4.619 5.666 -1.345
46 HG23 ILE 5 3HG2 ILE 5 3.241 5.196 -2.340
47 HD11 ILE 5 3HD1 ILE 5 5.185 7.227 0.420
48 HD12 ILE 5 1HD1 ILE 5 4.908 8.912 0.856
49 HD13 ILE 5 2HD1 ILE 5 3.836 7.654 1.471
50 H ASP 6 H ASP 6 1.537 6.268 -4.128
51 HA ASP 6 HA ASP 6 2.985 8.356 -5.392
52 HB2 ASP 6 2HB ASP 6 3.085 6.224 -6.423
53 HB3 ASP 6 3HB ASP 6 1.331 6.065 -6.442
54 H ALA 7 H ALA 7 -0.437 7.665 -4.984
55 HA ALA 7 HA ALA 7 -1.487 9.492 -6.821
56 HB1 ALA 7 1HB ALA 7 -2.487 7.797 -4.779
57 HB2 ALA 7 2HB ALA 7 -3.192 9.398 -4.552
58 HB3 ALA 7 3HB ALA 7 -3.368 8.568 -6.098
59 HA PRO 8 HA PRO 8 -1.635 12.716 -3.216
60 HB2 PRO 8 2HB PRO 8 -0.195 12.144 -0.987
61 HB3 PRO 8 3HB PRO 8 -1.883 11.663 -1.189
62 HG2 PRO 8 2HG PRO 8 0.607 10.047 -1.576
63 HG3 PRO 8 3HG PRO 8 -0.915 9.587 -0.790
64 HD2 PRO 8 2HD PRO 8 -0.300 8.842 -3.319
65 HD3 PRO 8 3HD PRO 8 -1.967 9.154 -2.794
66 H ASP 9 H ASP 9 1.324 10.893 -3.737
67 HA ASP 9 HA ASP 9 3.042 13.173 -3.337
68 HB2 ASP 9 2HB ASP 9 3.747 10.818 -2.860
69 HB3 ASP 9 3HB ASP 9 3.718 10.507 -4.593
70 H PHE 10 H PHE 10 1.186 11.914 -5.898
71 HA PHE 10 HA PHE 10 2.696 12.592 -8.142
72 HB2 PHE 10 2HB PHE 10 0.131 11.618 -7.665
73 HB3 PHE 10 3HB PHE 10 -0.136 13.139 -8.510
74 HD1 PHE 10 HD1 PHE 10 2.191 10.228 -8.763
75 HD2 PHE 10 HD2 PHE 10 -0.359 12.977 -10.778
76 HE1 PHE 10 HE1 PHE 10 2.693 9.120 -10.903
77 HE2 PHE 10 HE2 PHE 10 0.138 11.873 -12.920
78 HZ PHE 10 HZ PHE 10 1.665 9.942 -12.984
79 HA PRO 11 HA PRO 11 0.557 16.935 -8.009
80 HB2 PRO 11 2HB PRO 11 -0.665 17.625 -5.686
81 HB3 PRO 11 3HB PRO 11 -1.504 16.799 -7.004
82 HG2 PRO 11 2HG PRO 11 -0.347 15.662 -4.488
83 HG3 PRO 11 3HG PRO 11 -1.896 15.299 -5.271
84 HD2 PRO 11 2HD PRO 11 0.271 13.695 -5.516
85 HD3 PRO 11 3HD PRO 11 -0.930 13.882 -6.810
86 H SER 12 H SER 12 2.055 15.621 -5.124
87 HA SER 12 HA SER 12 3.218 18.145 -4.338
88 HB2 SER 12 2HB SER 12 2.680 16.647 -2.554
89 HB3 SER 12 3HB SER 12 3.549 15.318 -3.321
90 HG SER 12 HG SER 12 4.690 17.700 -2.277
91 H SER 13 H SER 13 4.008 15.592 -6.458
92 HA SER 13 HA SER 13 6.795 15.566 -6.368
93 HB2 SER 13 2HB SER 13 6.436 14.015 -7.942
94 HB3 SER 13 3HB SER 13 4.753 14.524 -8.068
95 HG SER 13 HG SER 13 5.309 15.153 -9.992
96 HA PRO 14 HA PRO 14 6.688 19.071 -9.718
97 HB2 PRO 14 2HB PRO 14 4.360 20.448 -9.950
98 HB3 PRO 14 3HB PRO 14 4.722 19.005 -10.905
99 HG2 PRO 14 2HG PRO 14 3.064 19.270 -8.426
100 HG3 PRO 14 3HG PRO 14 2.735 18.338 -9.898
101 HD2 PRO 14 2HD PRO 14 3.694 17.199 -7.637
102 HD3 PRO 14 3HD PRO 14 4.107 16.601 -9.256
103 H ALA 15 H ALA 15 4.975 19.343 -6.691
104 HA ALA 15 HA ALA 15 5.549 22.146 -6.339
105 HB1 ALA 15 1HB ALA 15 4.518 20.111 -4.367
106 HB2 ALA 15 2HB ALA 15 4.564 21.857 -4.123
107 HB3 ALA 15 3HB ALA 15 3.531 21.169 -5.376
108 H ILE 16 H ILE 16 6.806 19.082 -5.090
109 HA ILE 16 HA ILE 16 8.714 20.319 -3.354
110 HB ILE 16 HB ILE 16 7.786 18.009 -3.026
111 HG12 ILE 16 2HG1 ILE 16 10.063 17.020 -2.407
112 HG13 ILE 16 3HG1 ILE 16 10.765 18.482 -3.092
113 HG21 ILE 16 1HG2 ILE 16 7.945 17.258 -5.346
114 HG22 ILE 16 2HG2 ILE 16 9.704 17.313 -5.246
115 HG23 ILE 16 3HG2 ILE 16 8.801 16.165 -4.259
116 HD11 ILE 16 3HD1 ILE 16 9.576 18.048 -0.511
117 HD12 ILE 16 1HD1 ILE 16 10.537 19.406 -1.096
118 HD13 ILE 16 2HD1 ILE 16 8.792 19.383 -1.354
119 H LEU 17 H LEU 17 8.743 19.095 -6.642
120 HA LEU 17 HA LEU 17 11.587 19.256 -6.949
121 HB2 LEU 17 2HB LEU 17 9.310 18.927 -8.881
122 HB3 LEU 17 3HB LEU 17 10.985 19.055 -9.413
123 HG LEU 17 HG LEU 17 10.138 16.944 -7.457
124 HD11 LEU 17 1HD1 LEU 17 9.380 15.529 -9.073
125 HD12 LEU 17 2HD1 LEU 17 10.312 16.307 -10.352
126 HD13 LEU 17 3HD1 LEU 17 8.834 17.062 -9.754
127 HD21 LEU 17 3HD2 LEU 17 12.102 16.045 -9.226
128 HD22 LEU 17 1HD2 LEU 17 12.317 16.520 -7.541
129 HD23 LEU 17 2HD2 LEU 17 12.556 17.703 -8.827
130 H GLY 18 H GLY 18 8.867 21.387 -7.524
131 HA2 GLY 18 2HA GLY 18 10.441 23.316 -8.994
132 HA3 GLY 18 3HA GLY 18 8.771 23.503 -8.480
133 H LYS 19 H LYS 19 9.476 22.804 -5.683
134 HA LYS 19 HA LYS 19 10.154 25.473 -4.835
135 HB2 LYS 19 2HB LYS 19 9.280 22.959 -3.464
136 HB3 LYS 19 3HB LYS 19 9.990 24.256 -2.513
137 HG2 LYS 19 2HG LYS 19 8.231 25.683 -2.888
138 HG3 LYS 19 3HG LYS 19 7.761 24.882 -4.389
139 HD2 LYS 19 2HD LYS 19 6.458 23.384 -3.326
140 HD3 LYS 19 3HD LYS 19 7.590 23.201 -1.984
141 HE2 LYS 19 2HE LYS 19 5.530 24.170 -1.179
142 HE3 LYS 19 3HE LYS 19 6.822 25.366 -1.083
143 HZ1 LYS 19 3HZ LYS 19 4.980 25.244 -3.394
144 HZ2 LYS 19 1HZ LYS 19 5.978 26.522 -2.912
145 HZ3 LYS 19 2HZ LYS 19 4.607 26.132 -2.003
146 H ALA 20 H ALA 20 11.730 22.360 -5.012
147 HA ALA 20 HA ALA 20 13.907 22.935 -3.297
148 HB1 ALA 20 1HB ALA 20 14.985 21.001 -4.329
149 HB2 ALA 20 2HB ALA 20 13.305 20.653 -3.919
150 HB3 ALA 20 3HB ALA 20 13.753 20.984 -5.592
151 H ALA 21 H ALA 21 13.345 23.438 -6.735
152 HA ALA 21 HA ALA 21 16.013 24.191 -7.373
153 HB1 ALA 21 1HB ALA 21 13.836 25.291 -9.025
154 HB2 ALA 21 2HB ALA 21 15.273 24.382 -9.494
155 HB3 ALA 21 3HB ALA 21 13.863 23.535 -8.857
156 H THR 22 H THR 22 13.116 25.975 -6.433
157 HA THR 22 HA THR 22 14.372 28.546 -6.769
158 HB THR 22 HB THR 22 11.788 27.887 -5.342
159 HG1 THR 22 HG1 THR 22 12.196 28.732 -8.035
160 HG21 THR 22 3HG2 THR 22 13.108 30.426 -6.214
161 HG22 THR 22 1HG2 THR 22 12.287 30.055 -4.699
162 HG23 THR 22 2HG2 THR 22 11.348 30.324 -6.167
163 H ASP 23 H ASP 23 14.051 26.209 -4.247
164 HA ASP 23 HA ASP 23 14.542 28.003 -2.068
165 HB2 ASP 23 2HB ASP 23 14.409 25.030 -2.390
166 HB3 ASP 23 3HB ASP 23 15.128 25.704 -0.930
167 H VAL 24 H VAL 24 16.509 25.876 -4.075
168 HA VAL 24 HA VAL 24 18.910 26.209 -2.580
169 HB VAL 24 HB VAL 24 18.535 25.355 -5.454
170 HG11 VAL 24 1HG1 VAL 24 20.793 26.120 -5.116
171 HG12 VAL 24 2HG1 VAL 24 20.933 25.171 -3.635
172 HG13 VAL 24 3HG1 VAL 24 20.790 24.358 -5.194
173 HG21 VAL 24 3HG2 VAL 24 17.818 24.055 -3.089
174 HG22 VAL 24 1HG2 VAL 24 17.941 23.349 -4.700
175 HG23 VAL 24 2HG2 VAL 24 19.321 23.290 -3.604
176 H VAL 25 H VAL 25 17.453 27.882 -5.306
177 HA VAL 25 HA VAL 25 19.733 29.449 -5.968
178 HB VAL 25 HB VAL 25 16.812 29.977 -6.538
179 HG11 VAL 25 1HG1 VAL 25 17.749 31.379 -8.401
180 HG12 VAL 25 2HG1 VAL 25 17.999 32.026 -6.778
181 HG13 VAL 25 3HG1 VAL 25 19.326 31.230 -7.626
182 HG21 VAL 25 3HG2 VAL 25 16.929 28.526 -8.233
183 HG22 VAL 25 1HG2 VAL 25 18.506 29.129 -8.745
184 HG23 VAL 25 2HG2 VAL 25 18.397 27.919 -7.467
185 H ALA 26 H ALA 26 16.972 29.910 -3.832
186 HA ALA 26 HA ALA 26 17.661 32.639 -3.214
187 HB1 ALA 26 1HB ALA 26 15.797 30.993 -1.555
188 HB2 ALA 26 2HB ALA 26 15.729 32.712 -1.947
189 HB3 ALA 26 3HB ALA 26 15.323 31.511 -3.173
190 H ALA 27 H ALA 27 18.259 29.476 -1.861
191 HA ALA 27 HA ALA 27 19.247 30.483 0.653
192 HB1 ALA 27 1HB ALA 27 19.285 27.743 -0.596
193 HB2 ALA 27 2HB ALA 27 19.955 28.102 0.996
194 HB3 ALA 27 3HB ALA 27 18.233 28.330 0.692
195 H TRP 28 H TRP 28 20.611 29.382 -2.400
196 HA TRP 28 HA TRP 28 23.313 29.318 -1.546
197 HB2 TRP 28 2HB TRP 28 22.657 28.119 -3.536
198 HB3 TRP 28 3HB TRP 28 22.097 29.604 -4.299
199 HD1 TRP 28 HD1 TRP 28 25.452 28.175 -2.954
200 HE1 TRP 28 HE1 TRP 28 27.334 28.997 -4.505
201 HE3 TRP 28 HE3 TRP 28 22.686 31.094 -6.110
202 HZ2 TRP 28 HZ2 TRP 28 27.610 30.663 -6.768
203 HZ3 TRP 28 HZ3 TRP 28 23.835 32.268 -7.941
204 HH2 TRP 28 HH2 TRP 28 26.246 32.056 -8.261
205 H LYS 29 H LYS 29 21.298 31.808 -3.032
206 HA LYS 29 HA LYS 29 23.419 33.693 -3.344
207 HB2 LYS 29 2HB LYS 29 21.610 35.309 -3.806
208 HB3 LYS 29 3HB LYS 29 21.441 33.832 -4.746
209 HG2 LYS 29 2HG LYS 29 19.288 34.140 -4.060
210 HG3 LYS 29 3HG LYS 29 19.891 33.115 -2.755
211 HD2 LYS 29 2HD LYS 29 19.554 34.715 -1.239
212 HD3 LYS 29 3HD LYS 29 20.396 35.914 -2.224
213 HE2 LYS 29 2HE LYS 29 18.447 36.541 -3.338
214 HE3 LYS 29 3HE LYS 29 17.604 35.058 -2.896
215 HZ1 LYS 29 3HZ LYS 29 17.758 37.537 -1.491
216 HZ2 LYS 29 1HZ LYS 29 18.217 36.238 -0.508
217 HZ3 LYS 29 2HZ LYS 29 16.702 36.235 -1.261
218 H SER 30 H SER 30 21.192 32.884 -0.793
219 HA SER 30 HA SER 30 21.485 35.266 0.723
220 HB2 SER 30 2HB SER 30 19.631 33.565 0.972
221 HB3 SER 30 3HB SER 30 20.793 32.526 1.796
222 HG SER 30 HG SER 30 19.896 35.094 2.595
Start of MODEL 13
1 H1 VAL 1 H VAL 1 1.650 -1.584 -2.385
2 HA VAL 1 HA VAL 1 0.860 0.032 -0.962
3 HB VAL 1 HB VAL 1 3.658 -0.046 0.161
4 HG11 VAL 1 1HG1 VAL 1 0.959 0.688 1.210
5 HG12 VAL 1 2HG1 VAL 1 2.192 0.071 2.312
6 HG13 VAL 1 3HG1 VAL 1 2.496 1.536 1.376
7 HG21 VAL 1 3HG2 VAL 1 2.468 -1.913 1.609
8 HG22 VAL 1 1HG2 VAL 1 1.526 -2.117 0.132
9 HG23 VAL 1 2HG2 VAL 1 3.280 -2.299 0.092
10 H LYS 2 H LYS 2 3.261 0.804 -3.126
11 HA LYS 2 HA LYS 2 3.760 3.508 -2.265
12 HB2 LYS 2 2HB LYS 2 5.161 3.702 -4.151
13 HB3 LYS 2 3HB LYS 2 5.355 2.040 -3.608
14 HG2 LYS 2 2HG LYS 2 5.102 1.644 -5.819
15 HG3 LYS 2 3HG LYS 2 3.396 1.655 -5.365
16 HD2 LYS 2 2HD LYS 2 3.071 3.818 -6.202
17 HD3 LYS 2 3HD LYS 2 4.802 4.163 -6.229
18 HE2 LYS 2 2HE LYS 2 3.583 2.015 -7.938
19 HE3 LYS 2 3HE LYS 2 3.645 3.697 -8.463
20 HZ1 LYS 2 3HZ LYS 2 6.182 3.112 -7.582
21 HZ2 LYS 2 1HZ LYS 2 5.680 3.266 -9.190
22 HZ3 LYS 2 2HZ LYS 2 5.708 1.743 -8.456
23 H GLY 3 H GLY 3 1.362 1.890 -4.099
24 HA2 GLY 3 2HA GLY 3 0.568 3.974 -5.834
25 HA3 GLY 3 3HA GLY 3 -0.440 2.632 -5.315
26 H ARG 4 H ARG 4 -0.244 3.251 -2.491
27 HA ARG 4 HA ARG 4 -2.427 5.052 -2.299
28 HB2 ARG 4 2HB ARG 4 -0.654 4.189 -0.018
29 HB3 ARG 4 3HB ARG 4 -2.344 4.669 0.049
30 HG2 ARG 4 2HG ARG 4 -1.244 2.164 -1.206
31 HG3 ARG 4 3HG ARG 4 -2.144 2.280 0.307
32 HD2 ARG 4 2HD ARG 4 -3.853 1.703 -1.080
33 HD3 ARG 4 3HD ARG 4 -3.916 3.454 -1.278
34 HE ARG 4 HE ARG 4 -2.183 2.527 -3.214
35 HH11 ARG 4 1HH1 ARG 4 -5.526 2.065 -2.359
36 HH12 ARG 4 2HH1 ARG 4 -6.035 1.758 -3.986
37 HH21 ARG 4 1HH2 ARG 4 -2.841 2.124 -5.360
38 HH22 ARG 4 2HH2 ARG 4 -4.507 1.790 -5.693
39 H ILE 5 H ILE 5 1.034 5.347 -1.670
40 HA ILE 5 HA ILE 5 0.760 8.087 -0.765
41 HB ILE 5 HB ILE 5 3.235 8.050 -0.619
42 HG12 ILE 5 2HG1 ILE 5 3.051 5.122 -1.317
43 HG13 ILE 5 3HG1 ILE 5 3.446 6.350 -2.515
44 HG21 ILE 5 1HG2 ILE 5 2.090 5.613 0.715
45 HG22 ILE 5 2HG2 ILE 5 3.334 6.709 1.315
46 HG23 ILE 5 3HG2 ILE 5 1.659 7.252 1.204
47 HD11 ILE 5 3HD1 ILE 5 5.264 4.999 -1.059
48 HD12 ILE 5 1HD1 ILE 5 5.536 6.600 -1.749
49 HD13 ILE 5 2HD1 ILE 5 5.051 6.437 -0.060
50 H ASP 6 H ASP 6 1.279 6.419 -3.712
51 HA ASP 6 HA ASP 6 2.719 8.423 -5.113
52 HB2 ASP 6 2HB ASP 6 1.342 5.906 -5.772
53 HB3 ASP 6 3HB ASP 6 1.354 7.093 -7.073
54 H ALA 7 H ALA 7 -0.701 7.791 -4.598
55 HA ALA 7 HA ALA 7 -1.773 9.533 -6.503
56 HB1 ALA 7 1HB ALA 7 -3.537 9.646 -4.377
57 HB2 ALA 7 2HB ALA 7 -3.552 8.468 -5.689
58 HB3 ALA 7 3HB ALA 7 -2.730 8.091 -4.176
59 HA PRO 8 HA PRO 8 -1.808 12.942 -3.070
60 HB2 PRO 8 2HB PRO 8 -0.325 12.470 -0.845
61 HB3 PRO 8 3HB PRO 8 -2.023 11.998 -0.986
62 HG2 PRO 8 2HG PRO 8 0.441 10.335 -1.340
63 HG3 PRO 8 3HG PRO 8 -1.068 9.935 -0.499
64 HD2 PRO 8 2HD PRO 8 -0.516 9.053 -2.999
65 HD3 PRO 8 3HD PRO 8 -2.168 9.411 -2.456
66 H ASP 9 H ASP 9 1.120 11.060 -3.558
67 HA ASP 9 HA ASP 9 2.870 13.337 -3.313
68 HB2 ASP 9 2HB ASP 9 3.581 11.023 -2.720
69 HB3 ASP 9 3HB ASP 9 3.471 10.589 -4.424
70 H PHE 10 H PHE 10 0.945 11.971 -5.766
71 HA PHE 10 HA PHE 10 2.413 12.516 -8.073
72 HB2 PHE 10 2HB PHE 10 -0.173 11.627 -7.477
73 HB3 PHE 10 3HB PHE 10 -0.405 13.079 -8.445
74 HD1 PHE 10 HD2 PHE 10 1.622 9.950 -8.425
75 HD2 PHE 10 HD1 PHE 10 -0.433 12.877 -10.732
76 HE1 PHE 10 HE2 PHE 10 2.078 8.655 -10.466
77 HE2 PHE 10 HE1 PHE 10 0.019 11.587 -12.778
78 HZ PHE 10 HZ PHE 10 1.276 9.473 -12.647
79 HA PRO 11 HA PRO 11 0.322 16.884 -8.118
80 HB2 PRO 11 2HB PRO 11 -0.843 17.705 -5.808
81 HB3 PRO 11 3HB PRO 11 -1.719 16.822 -7.064
82 HG2 PRO 11 2HG PRO 11 -0.519 15.803 -4.518
83 HG3 PRO 11 3HG PRO 11 -2.089 15.417 -5.248
84 HD2 PRO 11 2HD PRO 11 0.057 13.779 -5.456
85 HD3 PRO 11 3HD PRO 11 -1.170 13.913 -6.733
86 H SER 12 H SER 12 1.859 15.707 -5.193
87 HA SER 12 HA SER 12 3.069 18.253 -4.567
88 HB2 SER 12 2HB SER 12 2.823 15.637 -3.287
89 HB3 SER 12 3HB SER 12 4.427 16.342 -3.093
90 HG SER 12 HG SER 12 1.996 17.152 -2.060
91 H SER 13 H SER 13 3.783 15.590 -6.572
92 HA SER 13 HA SER 13 6.570 15.525 -6.533
93 HB2 SER 13 2HB SER 13 4.578 14.263 -7.983
94 HB3 SER 13 3HB SER 13 5.448 15.182 -9.210
95 HG SER 13 HG SER 13 6.934 13.729 -7.341
96 HA PRO 14 HA PRO 14 6.456 18.864 -10.046
97 HB2 PRO 14 2HB PRO 14 4.142 20.259 -10.314
98 HB3 PRO 14 3HB PRO 14 4.473 18.766 -11.201
99 HG2 PRO 14 2HG PRO 14 2.853 19.174 -8.717
100 HG3 PRO 14 3HG PRO 14 2.492 18.175 -10.136
101 HD2 PRO 14 2HD PRO 14 3.469 17.137 -7.834
102 HD3 PRO 14 3HD PRO 14 3.852 16.454 -9.428
103 H ALA 15 H ALA 15 4.795 19.304 -7.010
104 HA ALA 15 HA ALA 15 5.403 22.116 -6.806
105 HB1 ALA 15 1HB ALA 15 3.454 21.575 -5.680
106 HB2 ALA 15 2HB ALA 15 4.137 20.099 -4.995
107 HB3 ALA 15 3HB ALA 15 4.636 21.673 -4.374
108 H ILE 16 H ILE 16 6.649 19.103 -5.428
109 HA ILE 16 HA ILE 16 8.600 20.404 -3.787
110 HB ILE 16 HB ILE 16 7.651 18.124 -3.329
111 HG12 ILE 16 2HG1 ILE 16 9.926 17.143 -2.692
112 HG13 ILE 16 3HG1 ILE 16 10.633 18.559 -3.462
113 HG21 ILE 16 1HG2 ILE 16 9.529 17.294 -5.537
114 HG22 ILE 16 2HG2 ILE 16 8.629 16.208 -4.479
115 HG23 ILE 16 3HG2 ILE 16 7.768 17.253 -5.609
116 HD11 ILE 16 3HD1 ILE 16 9.693 20.014 -1.878
117 HD12 ILE 16 1HD1 ILE 16 8.597 18.773 -1.271
118 HD13 ILE 16 2HD1 ILE 16 10.328 18.651 -0.957
119 H LEU 17 H LEU 17 8.560 19.013 -7.008
120 HA LEU 17 HA LEU 17 11.400 19.124 -7.369
121 HB2 LEU 17 2HB LEU 17 10.131 17.523 -8.622
122 HB3 LEU 17 3HB LEU 17 9.115 18.791 -9.303
123 HG LEU 17 HG LEU 17 11.140 19.658 -10.493
124 HD11 LEU 17 1HD1 LEU 17 12.675 17.291 -10.532
125 HD12 LEU 17 2HD1 LEU 17 12.425 17.725 -8.841
126 HD13 LEU 17 3HD1 LEU 17 13.145 18.889 -9.952
127 HD21 LEU 17 3HD2 LEU 17 9.704 18.467 -11.864
128 HD22 LEU 17 1HD2 LEU 17 9.977 16.950 -11.006
129 HD23 LEU 17 2HD2 LEU 17 11.227 17.600 -12.067
130 H GLY 18 H GLY 18 8.695 21.257 -8.008
131 HA2 GLY 18 2HA GLY 18 10.267 23.090 -9.598
132 HA3 GLY 18 3HA GLY 18 8.608 23.323 -9.068
133 H LYS 19 H LYS 19 9.348 22.759 -6.251
134 HA LYS 19 HA LYS 19 10.074 25.457 -5.551
135 HB2 LYS 19 2HB LYS 19 9.277 23.021 -3.978
136 HB3 LYS 19 3HB LYS 19 9.878 24.465 -3.174
137 HG2 LYS 19 2HG LYS 19 8.064 25.772 -4.017
138 HG3 LYS 19 3HG LYS 19 7.521 24.444 -5.045
139 HD2 LYS 19 2HD LYS 19 6.193 23.792 -3.383
140 HD3 LYS 19 3HD LYS 19 7.640 23.391 -2.454
141 HE2 LYS 19 2HE LYS 19 6.645 24.840 -1.000
142 HE3 LYS 19 3HE LYS 19 7.597 25.984 -1.946
143 HZ1 LYS 19 3HZ LYS 19 5.599 26.349 -3.332
144 HZ2 LYS 19 1HZ LYS 19 5.389 26.822 -1.721
145 HZ3 LYS 19 2HZ LYS 19 4.711 25.374 -2.272
146 H ALA 20 H ALA 20 11.607 22.322 -5.605
147 HA ALA 20 HA ALA 20 13.820 22.961 -3.950
148 HB1 ALA 20 1HB ALA 20 14.867 20.986 -5.261
149 HB2 ALA 20 2HB ALA 20 13.491 20.685 -4.199
150 HB3 ALA 20 3HB ALA 20 13.250 20.805 -5.942
151 H ALA 21 H ALA 21 13.161 23.343 -7.373
152 HA ALA 21 HA ALA 21 15.837 23.964 -8.134
153 HB1 ALA 21 1HB ALA 21 13.659 23.282 -9.531
154 HB2 ALA 21 2HB ALA 21 13.605 25.031 -9.751
155 HB3 ALA 21 3HB ALA 21 15.035 24.124 -10.244
156 H THR 22 H THR 22 13.013 25.887 -7.228
157 HA THR 22 HA THR 22 14.359 28.393 -7.696
158 HB THR 22 HB THR 22 11.925 28.219 -7.993
159 HG1 THR 22 HG1 THR 22 11.517 30.182 -7.064
160 HG21 THR 22 3HG2 THR 22 11.717 27.997 -4.995
161 HG22 THR 22 1HG2 THR 22 11.621 26.601 -6.068
162 HG23 THR 22 2HG2 THR 22 10.421 27.888 -6.186
163 H ASP 23 H ASP 23 13.988 26.184 -5.073
164 HA ASP 23 HA ASP 23 14.531 28.050 -2.971
165 HB2 ASP 23 2HB ASP 23 14.353 25.069 -3.178
166 HB3 ASP 23 3HB ASP 23 15.091 25.788 -1.750
167 H VAL 24 H VAL 24 16.452 25.820 -4.911
168 HA VAL 24 HA VAL 24 18.869 26.189 -3.443
169 HB VAL 24 HB VAL 24 18.461 25.191 -6.266
170 HG11 VAL 24 1HG1 VAL 24 20.699 25.687 -6.271
171 HG12 VAL 24 2HG1 VAL 24 20.869 25.445 -4.531
172 HG13 VAL 24 3HG1 VAL 24 20.737 24.053 -5.607
173 HG21 VAL 24 3HG2 VAL 24 17.946 23.183 -5.429
174 HG22 VAL 24 1HG2 VAL 24 19.220 23.270 -4.212
175 HG23 VAL 24 2HG2 VAL 24 17.655 24.024 -3.906
176 H VAL 25 H VAL 25 17.407 27.743 -6.234
177 HA VAL 25 HA VAL 25 19.698 29.234 -7.013
178 HB VAL 25 HB VAL 25 16.777 29.794 -7.547
179 HG11 VAL 25 1HG1 VAL 25 19.279 31.135 -8.377
180 HG12 VAL 25 2HG1 VAL 25 18.049 30.905 -9.621
181 HG13 VAL 25 3HG1 VAL 25 17.660 31.794 -8.148
182 HG21 VAL 25 3HG2 VAL 25 18.276 27.654 -8.400
183 HG22 VAL 25 1HG2 VAL 25 16.830 28.280 -9.191
184 HG23 VAL 25 2HG2 VAL 25 18.426 28.797 -9.735
185 H ALA 26 H ALA 26 16.999 29.849 -4.839
186 HA ALA 26 HA ALA 26 17.748 32.591 -4.370
187 HB1 ALA 26 1HB ALA 26 16.020 31.638 -2.328
188 HB2 ALA 26 2HB ALA 26 15.648 32.717 -3.673
189 HB3 ALA 26 3HB ALA 26 15.475 30.973 -3.868
190 H ALA 27 H ALA 27 18.265 29.486 -2.832
191 HA ALA 27 HA ALA 27 19.150 30.356 -0.323
192 HB1 ALA 27 1HB ALA 27 18.609 28.025 -0.813
193 HB2 ALA 27 2HB ALA 27 20.022 27.914 -1.863
194 HB3 ALA 27 3HB ALA 27 20.229 28.177 -0.131
195 H TRP 28 H TRP 28 20.622 30.577 -3.408
196 HA TRP 28 HA TRP 28 23.339 30.537 -2.741
197 HB2 TRP 28 2HB TRP 28 22.552 30.491 -5.057
198 HB3 TRP 28 3HB TRP 28 21.933 32.132 -4.894
199 HD1 TRP 28 HD1 TRP 28 23.581 34.074 -5.381
200 HE1 TRP 28 HE1 TRP 28 26.072 34.213 -6.013
201 HE3 TRP 28 HE3 TRP 28 24.892 29.197 -4.589
202 HZ2 TRP 28 HZ2 TRP 28 28.298 32.484 -6.156
203 HZ3 TRP 28 HZ3 TRP 28 27.222 28.521 -4.997
204 HH2 TRP 28 HH2 TRP 28 28.889 30.131 -5.765
205 H LYS 29 H LYS 29 20.901 32.854 -2.065
206 HA LYS 29 HA LYS 29 22.541 35.157 -1.812
207 HB2 LYS 29 2HB LYS 29 20.659 36.178 -0.719
208 HB3 LYS 29 3HB LYS 29 20.057 35.197 -2.050
209 HG2 LYS 29 2HG LYS 29 18.585 34.563 -0.452
210 HG3 LYS 29 3HG LYS 29 19.859 33.385 -0.123
211 HD2 LYS 29 2HD LYS 29 20.170 34.207 1.922
212 HD3 LYS 29 3HD LYS 29 20.374 35.841 1.286
213 HE2 LYS 29 2HE LYS 29 18.520 36.155 2.584
214 HE3 LYS 29 3HE LYS 29 17.749 35.707 1.063
215 HZ1 LYS 29 3HZ LYS 29 18.420 33.619 3.024
216 HZ2 LYS 29 1HZ LYS 29 17.205 33.632 1.846
217 HZ3 LYS 29 2HZ LYS 29 17.032 34.559 3.250
218 H SER 30 H SER 30 21.674 32.537 0.346
219 HA SER 30 HA SER 30 22.661 33.769 2.722
220 HB2 SER 30 2HB SER 30 21.027 31.717 2.380
221 HB3 SER 30 3HB SER 30 22.529 30.794 2.445
222 HG SER 30 HG SER 30 21.468 31.135 4.510
Start of MODEL 14
1 H1 VAL 1 H VAL 1 0.297 0.809 -0.171
2 HA VAL 1 HA VAL 1 2.736 -0.389 -1.307
3 HB VAL 1 HB VAL 1 1.601 -0.259 -3.554
4 HG11 VAL 1 1HG1 VAL 1 -0.080 -2.246 -2.640
5 HG12 VAL 1 2HG1 VAL 1 1.609 -2.447 -3.112
6 HG13 VAL 1 3HG1 VAL 1 1.190 -2.188 -1.418
7 HG21 VAL 1 3HG2 VAL 1 -0.862 -0.266 -3.564
8 HG22 VAL 1 1HG2 VAL 1 -0.854 0.088 -1.836
9 HG23 VAL 1 2HG2 VAL 1 -0.200 1.261 -2.980
10 H LYS 2 H LYS 2 3.165 0.919 -3.516
11 HA LYS 2 HA LYS 2 3.728 3.607 -2.644
12 HB2 LYS 2 2HB LYS 2 5.111 3.784 -4.543
13 HB3 LYS 2 3HB LYS 2 5.273 2.112 -4.023
14 HG2 LYS 2 2HG LYS 2 4.982 1.750 -6.235
15 HG3 LYS 2 3HG LYS 2 3.283 1.793 -5.758
16 HD2 LYS 2 2HD LYS 2 3.196 3.272 -7.486
17 HD3 LYS 2 3HD LYS 2 3.637 4.395 -6.197
18 HE2 LYS 2 2HE LYS 2 5.453 4.947 -7.348
19 HE3 LYS 2 3HE LYS 2 6.040 3.295 -7.166
20 HZ1 LYS 2 3HZ LYS 2 4.977 4.607 -9.482
21 HZ2 LYS 2 1HZ LYS 2 4.240 3.112 -9.189
22 HZ3 LYS 2 2HZ LYS 2 5.919 3.206 -9.373
23 H GLY 3 H GLY 3 1.271 2.050 -4.452
24 HA2 GLY 3 2HA GLY 3 0.498 4.179 -6.151
25 HA3 GLY 3 3HA GLY 3 -0.520 2.833 -5.658
26 H ARG 4 H ARG 4 -0.353 3.353 -2.834
27 HA ARG 4 HA ARG 4 -2.500 5.182 -2.588
28 HB2 ARG 4 2HB ARG 4 -0.722 4.198 -0.355
29 HB3 ARG 4 3HB ARG 4 -2.382 4.764 -0.230
30 HG2 ARG 4 2HG ARG 4 -3.076 2.819 -1.624
31 HG3 ARG 4 3HG ARG 4 -1.416 2.228 -1.527
32 HD2 ARG 4 2HD ARG 4 -1.684 2.380 1.001
33 HD3 ARG 4 3HD ARG 4 -3.409 2.576 0.695
34 HE ARG 4 HE ARG 4 -2.605 0.320 -0.695
35 HH11 ARG 4 1HH1 ARG 4 -2.744 1.392 2.615
36 HH12 ARG 4 2HH1 ARG 4 -2.961 -0.202 3.259
37 HH21 ARG 4 1HH2 ARG 4 -2.891 -1.783 0.141
38 HH22 ARG 4 2HH2 ARG 4 -3.043 -2.007 1.851
39 H ILE 5 H ILE 5 0.964 5.424 -1.941
40 HA ILE 5 HA ILE 5 0.716 8.143 -0.972
41 HB ILE 5 HB ILE 5 2.393 6.677 0.034
42 HG12 ILE 5 2HG1 ILE 5 3.885 8.775 -1.526
43 HG13 ILE 5 3HG1 ILE 5 2.710 9.215 -0.292
44 HG21 ILE 5 1HG2 ILE 5 4.436 6.113 -1.314
45 HG22 ILE 5 2HG2 ILE 5 2.973 5.241 -1.767
46 HG23 ILE 5 3HG2 ILE 5 3.533 6.593 -2.750
47 HD11 ILE 5 3HD1 ILE 5 4.082 8.661 1.389
48 HD12 ILE 5 1HD1 ILE 5 4.718 7.248 0.546
49 HD13 ILE 5 2HD1 ILE 5 5.339 8.855 0.167
50 H ASP 6 H ASP 6 1.218 6.545 -3.958
51 HA ASP 6 HA ASP 6 2.687 8.565 -5.307
52 HB2 ASP 6 2HB ASP 6 2.725 6.417 -6.294
53 HB3 ASP 6 3HB ASP 6 0.969 6.277 -6.251
54 H ALA 7 H ALA 7 -0.740 7.968 -4.805
55 HA ALA 7 HA ALA 7 -1.788 9.769 -6.669
56 HB1 ALA 7 1HB ALA 7 -3.596 8.737 -5.886
57 HB2 ALA 7 2HB ALA 7 -2.766 8.262 -4.403
58 HB3 ALA 7 3HB ALA 7 -3.537 9.844 -4.514
59 HA PRO 8 HA PRO 8 -1.779 13.092 -3.153
60 HB2 PRO 8 2HB PRO 8 -0.300 12.547 -0.942
61 HB3 PRO 8 3HB PRO 8 -2.004 12.101 -1.092
62 HG2 PRO 8 2HG PRO 8 0.438 10.416 -1.491
63 HG3 PRO 8 3HG PRO 8 -1.074 10.014 -0.657
64 HD2 PRO 8 2HD PRO 8 -0.536 9.187 -3.179
65 HD3 PRO 8 3HD PRO 8 -2.182 9.552 -2.625
66 H ASP 9 H ASP 9 1.125 11.186 -3.689
67 HA ASP 9 HA ASP 9 2.902 13.437 -3.393
68 HB2 ASP 9 2HB ASP 9 3.295 10.589 -4.304
69 HB3 ASP 9 3HB ASP 9 4.597 11.775 -4.338
70 H PHE 10 H PHE 10 0.960 12.149 -5.874
71 HA PHE 10 HA PHE 10 2.435 12.725 -8.169
72 HB2 PHE 10 2HB PHE 10 -0.166 11.861 -7.589
73 HB3 PHE 10 3HB PHE 10 -0.372 13.332 -8.535
74 HD1 PHE 10 HD1 PHE 10 0.962 13.489 -10.734
75 HD2 PHE 10 HD2 PHE 10 0.247 9.848 -8.649
76 HE1 PHE 10 HE1 PHE 10 1.401 12.225 -12.799
77 HE2 PHE 10 HE2 PHE 10 0.687 8.578 -10.710
78 HZ PHE 10 HZ PHE 10 1.265 9.766 -12.788
79 HA PRO 11 HA PRO 11 0.398 17.119 -8.114
80 HB2 PRO 11 2HB PRO 11 -0.746 17.905 -5.781
81 HB3 PRO 11 3HB PRO 11 -1.638 17.061 -7.052
82 HG2 PRO 11 2HG PRO 11 -0.441 15.971 -4.534
83 HG3 PRO 11 3HG PRO 11 -2.018 15.622 -5.265
84 HD2 PRO 11 2HD PRO 11 0.105 13.961 -5.519
85 HD3 PRO 11 3HD PRO 11 -1.126 14.138 -6.786
86 H SER 12 H SER 12 1.944 15.854 -5.234
87 HA SER 12 HA SER 12 3.185 18.372 -4.554
88 HB2 SER 12 2HB SER 12 3.010 15.677 -3.366
89 HB3 SER 12 3HB SER 12 4.535 16.515 -3.081
90 HG SER 12 HG SER 12 1.967 17.613 -2.573
91 H SER 13 H SER 13 3.866 15.720 -6.599
92 HA SER 13 HA SER 13 6.643 15.616 -6.586
93 HB2 SER 13 2HB SER 13 4.586 14.499 -8.118
94 HB3 SER 13 3HB SER 13 5.592 15.365 -9.279
95 HG SER 13 HG SER 13 7.178 14.002 -8.937
96 HA PRO 14 HA PRO 14 6.578 19.071 -9.989
97 HB2 PRO 14 2HB PRO 14 4.297 20.529 -10.185
98 HB3 PRO 14 3HB PRO 14 4.582 19.060 -11.126
99 HG2 PRO 14 2HG PRO 14 2.998 19.422 -8.611
100 HG3 PRO 14 3HG PRO 14 2.598 18.480 -10.060
101 HD2 PRO 14 2HD PRO 14 3.573 17.341 -7.805
102 HD3 PRO 14 3HD PRO 14 3.923 16.704 -9.425
103 H ALA 15 H ALA 15 5.063 19.392 -6.886
104 HA ALA 15 HA ALA 15 5.668 22.200 -6.596
105 HB1 ALA 15 1HB ALA 15 4.174 22.101 -4.958
106 HB2 ALA 15 2HB ALA 15 3.955 20.389 -5.324
107 HB3 ALA 15 3HB ALA 15 5.123 20.886 -4.099
108 H ILE 16 H ILE 16 6.962 19.133 -5.385
109 HA ILE 16 HA ILE 16 8.984 20.365 -3.781
110 HB ILE 16 HB ILE 16 9.901 18.119 -3.515
111 HG12 ILE 16 2HG1 ILE 16 7.844 17.339 -5.592
112 HG13 ILE 16 3HG1 ILE 16 9.593 17.281 -5.781
113 HG21 ILE 16 1HG2 ILE 16 7.930 17.045 -2.510
114 HG22 ILE 16 2HG2 ILE 16 8.033 18.759 -2.112
115 HG23 ILE 16 3HG2 ILE 16 6.892 18.206 -3.338
116 HD11 ILE 16 3HD1 ILE 16 7.772 15.443 -4.359
117 HD12 ILE 16 1HD1 ILE 16 9.226 15.106 -5.300
118 HD13 ILE 16 2HD1 ILE 16 9.363 15.711 -3.648
119 H LEU 17 H LEU 17 8.825 19.058 -7.042
120 HA LEU 17 HA LEU 17 11.641 19.203 -7.519
121 HB2 LEU 17 2HB LEU 17 9.228 18.507 -9.035
122 HB3 LEU 17 3HB LEU 17 10.513 19.233 -9.998
123 HG LEU 17 HG LEU 17 10.655 16.823 -10.100
124 HD11 LEU 17 1HD1 LEU 17 12.900 17.535 -8.277
125 HD12 LEU 17 2HD1 LEU 17 12.722 18.406 -9.800
126 HD13 LEU 17 3HD1 LEU 17 12.921 16.654 -9.805
127 HD21 LEU 17 3HD2 LEU 17 11.141 16.768 -7.136
128 HD22 LEU 17 1HD2 LEU 17 10.859 15.414 -8.231
129 HD23 LEU 17 2HD2 LEU 17 9.541 16.516 -7.834
130 H GLY 18 H GLY 18 8.913 21.356 -7.969
131 HA2 GLY 18 2HA GLY 18 10.419 23.249 -9.551
132 HA3 GLY 18 3HA GLY 18 8.784 23.461 -8.943
133 H LYS 19 H LYS 19 9.637 22.794 -6.183
134 HA LYS 19 HA LYS 19 10.399 25.464 -5.414
135 HB2 LYS 19 2HB LYS 19 9.594 22.980 -3.940
136 HB3 LYS 19 3HB LYS 19 10.329 24.318 -3.067
137 HG2 LYS 19 2HG LYS 19 8.542 25.729 -3.458
138 HG3 LYS 19 3HG LYS 19 7.985 24.803 -4.854
139 HD2 LYS 19 2HD LYS 19 6.556 23.728 -3.534
140 HD3 LYS 19 3HD LYS 19 7.921 23.061 -2.635
141 HE2 LYS 19 2HE LYS 19 7.704 24.551 -0.936
142 HE3 LYS 19 3HE LYS 19 7.133 25.840 -1.994
143 HZ1 LYS 19 3HZ LYS 19 5.206 23.817 -1.976
144 HZ2 LYS 19 1HZ LYS 19 5.077 25.388 -1.360
145 HZ3 LYS 19 2HZ LYS 19 5.623 24.132 -0.367
146 H ALA 20 H ALA 20 11.921 22.335 -5.657
147 HA ALA 20 HA ALA 20 14.200 22.905 -4.065
148 HB1 ALA 20 1HB ALA 20 13.543 20.622 -4.580
149 HB2 ALA 20 2HB ALA 20 13.859 20.901 -6.293
150 HB3 ALA 20 3HB ALA 20 15.188 20.933 -5.135
151 H ALA 21 H ALA 21 13.415 23.403 -7.451
152 HA ALA 21 HA ALA 21 16.059 24.066 -8.282
153 HB1 ALA 21 1HB ALA 21 14.725 25.153 -10.230
154 HB2 ALA 21 2HB ALA 21 14.721 23.399 -10.041
155 HB3 ALA 21 3HB ALA 21 13.341 24.348 -9.490
156 H THR 22 H THR 22 13.265 25.942 -7.206
157 HA THR 22 HA THR 22 14.582 28.470 -7.635
158 HB THR 22 HB THR 22 12.139 28.293 -7.847
159 HG1 THR 22 HG1 THR 22 11.744 30.063 -6.151
160 HG21 THR 22 3HG2 THR 22 11.930 26.610 -5.956
161 HG22 THR 22 1HG2 THR 22 10.703 27.875 -6.012
162 HG23 THR 22 2HG2 THR 22 12.029 27.983 -4.853
163 H ASP 23 H ASP 23 14.342 26.161 -5.090
164 HA ASP 23 HA ASP 23 14.953 27.960 -2.943
165 HB2 ASP 23 2HB ASP 23 14.707 25.002 -3.253
166 HB3 ASP 23 3HB ASP 23 15.584 25.622 -1.858
167 H VAL 24 H VAL 24 16.796 25.797 -5.028
168 HA VAL 24 HA VAL 24 19.263 26.043 -3.654
169 HB VAL 24 HB VAL 24 18.719 25.330 -6.539
170 HG11 VAL 24 1HG1 VAL 24 20.937 25.792 -6.691
171 HG12 VAL 24 2HG1 VAL 24 21.222 25.542 -4.968
172 HG13 VAL 24 3HG1 VAL 24 21.058 24.156 -6.046
173 HG21 VAL 24 3HG2 VAL 24 19.607 23.277 -4.634
174 HG22 VAL 24 1HG2 VAL 24 17.997 23.931 -4.330
175 HG23 VAL 24 2HG2 VAL 24 18.372 23.202 -5.891
176 H VAL 25 H VAL 25 17.805 27.803 -6.350
177 HA VAL 25 HA VAL 25 20.084 29.401 -6.923
178 HB VAL 25 HB VAL 25 18.334 29.092 -8.586
179 HG11 VAL 25 1HG1 VAL 25 16.575 30.702 -6.737
180 HG12 VAL 25 2HG1 VAL 25 16.147 30.142 -8.355
181 HG13 VAL 25 3HG1 VAL 25 16.421 28.975 -7.061
182 HG21 VAL 25 3HG2 VAL 25 18.031 31.455 -9.257
183 HG22 VAL 25 1HG2 VAL 25 18.628 31.952 -7.673
184 HG23 VAL 25 2HG2 VAL 25 19.688 31.082 -8.783
185 H ALA 26 H ALA 26 17.339 29.746 -4.765
186 HA ALA 26 HA ALA 26 17.942 32.484 -4.096
187 HB1 ALA 26 1HB ALA 26 16.132 32.290 -2.491
188 HB2 ALA 26 2HB ALA 26 15.638 31.638 -4.054
189 HB3 ALA 26 3HB ALA 26 16.072 30.545 -2.740
190 H ALA 27 H ALA 27 18.716 29.321 -2.860
191 HA ALA 27 HA ALA 27 19.480 29.987 -0.250
192 HB1 ALA 27 1HB ALA 27 19.929 27.744 -2.088
193 HB2 ALA 27 2HB ALA 27 21.173 27.955 -0.855
194 HB3 ALA 27 3HB ALA 27 19.487 27.746 -0.381
195 H TRP 28 H TRP 28 20.955 30.702 -3.260
196 HA TRP 28 HA TRP 28 23.653 30.871 -2.535
197 HB2 TRP 28 2HB TRP 28 22.436 31.146 -4.857
198 HB3 TRP 28 3HB TRP 28 22.474 32.856 -4.437
199 HD1 TRP 28 HD1 TRP 28 24.737 34.119 -4.728
200 HE1 TRP 28 HE1 TRP 28 27.061 33.447 -5.607
201 HE3 TRP 28 HE3 TRP 28 24.100 29.050 -4.915
202 HZ2 TRP 28 HZ2 TRP 28 28.441 31.081 -6.289
203 HZ3 TRP 28 HZ3 TRP 28 25.970 27.654 -5.693
204 HH2 TRP 28 HH2 TRP 28 28.095 28.650 -6.366
205 H LYS 29 H LYS 29 20.966 32.983 -1.896
206 HA LYS 29 HA LYS 29 22.475 35.295 -1.212
207 HB2 LYS 29 2HB LYS 29 20.438 36.214 -0.429
208 HB3 LYS 29 3HB LYS 29 20.009 35.209 -1.807
209 HG2 LYS 29 2HG LYS 29 19.655 33.399 0.091
210 HG3 LYS 29 3HG LYS 29 19.407 34.845 1.072
211 HD2 LYS 29 2HD LYS 29 18.011 34.648 -1.551
212 HD3 LYS 29 3HD LYS 29 17.406 33.685 -0.201
213 HE2 LYS 29 2HE LYS 29 17.685 36.032 1.044
214 HE3 LYS 29 3HE LYS 29 17.420 36.622 -0.596
215 HZ1 LYS 29 3HZ LYS 29 15.484 35.893 1.174
216 HZ2 LYS 29 1HZ LYS 29 15.580 34.557 0.140
217 HZ3 LYS 29 2HZ LYS 29 15.276 36.096 -0.492
218 H SER 30 H SER 30 21.408 32.462 0.543
219 HA SER 30 HA SER 30 21.864 33.432 3.156
220 HB2 SER 30 2HB SER 30 20.625 31.277 2.331
221 HB3 SER 30 3HB SER 30 22.221 30.536 2.454
222 HG SER 30 HG SER 30 20.719 30.549 4.380
Start of MODEL 15
1 H1 VAL 1 H VAL 1 0.849 -0.808 0.230
2 HA VAL 1 HA VAL 1 2.870 -0.591 -1.261
3 HB VAL 1 HB VAL 1 1.628 -0.481 -3.404
4 HG11 VAL 1 1HG1 VAL 1 1.600 -2.441 -1.553
5 HG12 VAL 1 2HG1 VAL 1 -0.132 -2.170 -1.753
6 HG13 VAL 1 3HG1 VAL 1 0.863 -2.587 -3.148
7 HG21 VAL 1 3HG2 VAL 1 -0.386 0.459 -3.608
8 HG22 VAL 1 1HG2 VAL 1 -1.017 -0.417 -2.214
9 HG23 VAL 1 2HG2 VAL 1 -0.145 1.098 -1.982
10 H LYS 2 H LYS 2 3.333 0.739 -3.370
11 HA LYS 2 HA LYS 2 3.866 3.432 -2.497
12 HB2 LYS 2 2HB LYS 2 5.280 3.613 -4.372
13 HB3 LYS 2 3HB LYS 2 5.442 1.943 -3.844
14 HG2 LYS 2 2HG LYS 2 5.192 1.573 -6.059
15 HG3 LYS 2 3HG LYS 2 3.485 1.608 -5.613
16 HD2 LYS 2 2HD LYS 2 3.421 3.081 -7.347
17 HD3 LYS 2 3HD LYS 2 3.831 4.210 -6.053
18 HE2 LYS 2 2HE LYS 2 6.296 3.411 -6.764
19 HE3 LYS 2 3HE LYS 2 5.465 3.219 -8.307
20 HZ1 LYS 2 3HZ LYS 2 4.844 5.493 -8.296
21 HZ2 LYS 2 1HZ LYS 2 6.497 5.440 -7.938
22 HZ3 LYS 2 2HZ LYS 2 5.373 5.712 -6.704
23 H GLY 3 H GLY 3 1.450 1.857 -4.343
24 HA2 GLY 3 2HA GLY 3 0.694 3.976 -6.061
25 HA3 GLY 3 3HA GLY 3 -0.325 2.627 -5.582
26 H ARG 4 H ARG 4 -0.208 3.157 -2.756
27 HA ARG 4 HA ARG 4 -2.369 4.975 -2.553
28 HB2 ARG 4 2HB ARG 4 -0.602 3.738 -0.437
29 HB3 ARG 4 3HB ARG 4 -2.034 4.695 -0.083
30 HG2 ARG 4 2HG ARG 4 -1.978 2.112 -1.630
31 HG3 ARG 4 3HG ARG 4 -2.505 2.313 0.042
32 HD2 ARG 4 2HD ARG 4 -4.264 3.869 -0.750
33 HD3 ARG 4 3HD ARG 4 -3.771 3.531 -2.409
34 HE ARG 4 HE ARG 4 -4.906 1.550 -2.298
35 HH11 ARG 4 1HH1 ARG 4 -4.404 2.748 0.932
36 HH12 ARG 4 2HH1 ARG 4 -5.395 1.537 1.675
37 HH21 ARG 4 1HH2 ARG 4 -6.213 -0.049 -1.331
38 HH22 ARG 4 2HH2 ARG 4 -6.423 -0.054 0.387
39 H ILE 5 H ILE 5 1.081 5.236 -1.847
40 HA ILE 5 HA ILE 5 0.804 7.956 -0.889
41 HB ILE 5 HB ILE 5 3.212 7.920 -0.573
42 HG12 ILE 5 2HG1 ILE 5 3.113 5.190 -1.877
43 HG13 ILE 5 3HG1 ILE 5 3.807 6.642 -2.591
44 HG21 ILE 5 1HG2 ILE 5 2.773 5.270 0.491
45 HG22 ILE 5 2HG2 ILE 5 2.946 6.808 1.335
46 HG23 ILE 5 3HG2 ILE 5 1.366 6.305 0.734
47 HD11 ILE 5 3HD1 ILE 5 5.682 5.621 -1.799
48 HD12 ILE 5 1HD1 ILE 5 5.263 6.624 -0.410
49 HD13 ILE 5 2HD1 ILE 5 4.848 4.909 -0.417
50 H ASP 6 H ASP 6 1.364 6.354 -3.863
51 HA ASP 6 HA ASP 6 2.845 8.379 -5.190
52 HB2 ASP 6 2HB ASP 6 2.868 6.172 -6.115
53 HB3 ASP 6 3HB ASP 6 1.110 6.131 -6.217
54 H ALA 7 H ALA 7 -0.586 7.763 -4.747
55 HA ALA 7 HA ALA 7 -1.613 9.551 -6.634
56 HB1 ALA 7 1HB ALA 7 -2.624 7.987 -4.459
57 HB2 ALA 7 2HB ALA 7 -3.352 9.593 -4.428
58 HB3 ALA 7 3HB ALA 7 -3.470 8.600 -5.880
59 HA PRO 8 HA PRO 8 -1.683 12.886 -3.130
60 HB2 PRO 8 2HB PRO 8 -0.238 12.357 -0.893
61 HB3 PRO 8 3HB PRO 8 -1.936 11.900 -1.070
62 HG2 PRO 8 2HG PRO 8 0.522 10.229 -1.422
63 HG3 PRO 8 3HG PRO 8 -1.002 9.820 -0.612
64 HD2 PRO 8 2HD PRO 8 -0.416 8.988 -3.122
65 HD3 PRO 8 3HD PRO 8 -2.074 9.345 -2.597
66 H ASP 9 H ASP 9 1.243 10.996 -3.604
67 HA ASP 9 HA ASP 9 3.001 13.257 -3.287
68 HB2 ASP 9 2HB ASP 9 3.425 10.409 -4.185
69 HB3 ASP 9 3HB ASP 9 4.720 11.603 -4.201
70 H PHE 10 H PHE 10 1.109 11.951 -5.798
71 HA PHE 10 HA PHE 10 2.618 12.531 -8.070
72 HB2 PHE 10 2HB PHE 10 0.042 11.615 -7.551
73 HB3 PHE 10 3HB PHE 10 -0.209 13.119 -8.431
74 HD1 PHE 10 HD2 PHE 10 1.918 13.216 -10.346
75 HD2 PHE 10 HD1 PHE 10 -0.305 9.853 -8.981
76 HE1 PHE 10 HE2 PHE 10 2.382 12.054 -12.464
77 HE2 PHE 10 HE1 PHE 10 0.156 8.685 -11.097
78 HZ PHE 10 HZ PHE 10 1.500 9.786 -12.842
79 HA PRO 11 HA PRO 11 0.563 16.915 -8.066
80 HB2 PRO 11 2HB PRO 11 -0.641 17.700 -5.763
81 HB3 PRO 11 3HB PRO 11 -1.498 16.849 -7.053
82 HG2 PRO 11 2HG PRO 11 -0.357 15.770 -4.505
83 HG3 PRO 11 3HG PRO 11 -1.914 15.412 -5.273
84 HD2 PRO 11 2HD PRO 11 0.222 13.761 -5.472
85 HD3 PRO 11 3HD PRO 11 -0.978 13.930 -6.769
86 H SER 12 H SER 12 2.071 15.648 -5.173
87 HA SER 12 HA SER 12 3.269 18.176 -4.448
88 HB2 SER 12 2HB SER 12 2.603 16.445 -2.758
89 HB3 SER 12 3HB SER 12 3.901 15.420 -3.368
90 HG SER 12 HG SER 12 4.019 17.678 -1.781
91 H SER 13 H SER 13 4.015 15.547 -6.499
92 HA SER 13 HA SER 13 6.801 15.501 -6.435
93 HB2 SER 13 2HB SER 13 5.930 13.775 -7.701
94 HB3 SER 13 3HB SER 13 4.742 14.813 -8.491
95 HG SER 13 HG SER 13 7.538 14.944 -8.955
96 HA PRO 14 HA PRO 14 6.689 18.901 -9.891
97 HB2 PRO 14 2HB PRO 14 4.372 20.296 -10.137
98 HB3 PRO 14 3HB PRO 14 4.707 18.821 -11.051
99 HG2 PRO 14 2HG PRO 14 3.084 19.178 -8.562
100 HG3 PRO 14 3HG PRO 14 2.726 18.205 -10.000
101 HD2 PRO 14 2HD PRO 14 3.702 17.126 -7.717
102 HD3 PRO 14 3HD PRO 14 4.089 16.474 -9.323
103 H ALA 15 H ALA 15 5.015 19.284 -6.854
104 HA ALA 15 HA ALA 15 5.623 22.091 -6.596
105 HB1 ALA 15 1HB ALA 15 4.803 20.356 -4.302
106 HB2 ALA 15 2HB ALA 15 4.416 22.047 -4.623
107 HB3 ALA 15 3HB ALA 15 3.643 20.772 -5.564
108 H ILE 16 H ILE 16 6.862 19.052 -5.267
109 HA ILE 16 HA ILE 16 8.804 20.320 -3.592
110 HB ILE 16 HB ILE 16 7.858 18.032 -3.182
111 HG12 ILE 16 2HG1 ILE 16 10.872 18.231 -3.373
112 HG13 ILE 16 3HG1 ILE 16 9.887 18.829 -2.042
113 HG21 ILE 16 1HG2 ILE 16 7.972 17.211 -5.481
114 HG22 ILE 16 2HG2 ILE 16 9.733 17.246 -5.408
115 HG23 ILE 16 3HG2 ILE 16 8.831 16.139 -4.374
116 HD11 ILE 16 3HD1 ILE 16 10.228 15.957 -2.868
117 HD12 ILE 16 1HD1 ILE 16 10.913 16.737 -1.443
118 HD13 ILE 16 2HD1 ILE 16 9.167 16.525 -1.579
119 H LEU 17 H LEU 17 8.783 18.998 -6.842
120 HA LEU 17 HA LEU 17 11.624 19.120 -7.186
121 HB2 LEU 17 2HB LEU 17 10.260 17.554 -8.456
122 HB3 LEU 17 3HB LEU 17 9.395 18.896 -9.205
123 HG LEU 17 HG LEU 17 11.837 19.536 -10.013
124 HD11 LEU 17 1HD1 LEU 17 12.353 16.757 -10.503
125 HD12 LEU 17 2HD1 LEU 17 12.292 17.068 -8.769
126 HD13 LEU 17 3HD1 LEU 17 13.402 17.982 -9.790
127 HD21 LEU 17 3HD2 LEU 17 10.003 19.175 -11.513
128 HD22 LEU 17 1HD2 LEU 17 10.050 17.435 -11.228
129 HD23 LEU 17 2HD2 LEU 17 11.378 18.225 -12.079
130 H GLY 18 H GLY 18 8.919 21.262 -7.794
131 HA2 GLY 18 2HA GLY 18 10.496 23.130 -9.337
132 HA3 GLY 18 3HA GLY 18 8.834 23.350 -8.810
133 H LYS 19 H LYS 19 9.564 22.726 -6.002
134 HA LYS 19 HA LYS 19 10.280 25.411 -5.241
135 HB2 LYS 19 2HB LYS 19 9.451 22.940 -3.750
136 HB3 LYS 19 3HB LYS 19 10.102 24.326 -2.884
137 HG2 LYS 19 2HG LYS 19 8.308 25.693 -3.482
138 HG3 LYS 19 3HG LYS 19 7.805 24.615 -4.786
139 HD2 LYS 19 2HD LYS 19 6.756 23.161 -3.362
140 HD3 LYS 19 3HD LYS 19 7.821 23.549 -2.008
141 HE2 LYS 19 2HE LYS 19 6.619 25.432 -1.434
142 HE3 LYS 19 3HE LYS 19 5.960 25.634 -3.056
143 HZ1 LYS 19 3HZ LYS 19 4.227 24.325 -2.593
144 HZ2 LYS 19 1HZ LYS 19 4.623 24.586 -0.968
145 HZ3 LYS 19 2HZ LYS 19 5.161 23.189 -1.756
146 H ALA 20 H ALA 20 11.821 22.278 -5.345
147 HA ALA 20 HA ALA 20 14.022 22.873 -3.669
148 HB1 ALA 20 1HB ALA 20 13.231 20.720 -5.473
149 HB2 ALA 20 2HB ALA 20 14.974 20.986 -5.412
150 HB3 ALA 20 3HB ALA 20 14.081 20.654 -3.928
151 H ALA 21 H ALA 21 13.482 23.203 -7.145
152 HA ALA 21 HA ALA 21 16.141 23.970 -7.787
153 HB1 ALA 21 1HB ALA 21 14.171 23.137 -9.306
154 HB2 ALA 21 2HB ALA 21 13.834 24.863 -9.447
155 HB3 ALA 21 3HB ALA 21 15.403 24.228 -9.942
156 H THR 22 H THR 22 13.235 25.746 -6.893
157 HA THR 22 HA THR 22 14.427 28.323 -7.383
158 HB THR 22 HB THR 22 11.889 27.664 -5.877
159 HG1 THR 22 HG1 THR 22 11.866 26.968 -8.085
160 HG21 THR 22 3HG2 THR 22 13.291 30.145 -6.460
161 HG22 THR 22 1HG2 THR 22 11.948 29.841 -5.358
162 HG23 THR 22 2HG2 THR 22 11.635 30.148 -7.066
163 H ASP 23 H ASP 23 14.197 26.109 -4.738
164 HA ASP 23 HA ASP 23 14.748 28.036 -2.681
165 HB2 ASP 23 2HB ASP 23 14.526 25.057 -2.810
166 HB3 ASP 23 3HB ASP 23 15.318 25.791 -1.418
167 H VAL 24 H VAL 24 16.623 25.767 -4.612
168 HA VAL 24 HA VAL 24 19.063 26.113 -3.185
169 HB VAL 24 HB VAL 24 18.590 25.126 -6.001
170 HG11 VAL 24 1HG1 VAL 24 20.883 23.995 -5.436
171 HG12 VAL 24 2HG1 VAL 24 20.830 25.647 -6.052
172 HG13 VAL 24 3HG1 VAL 24 21.047 25.355 -4.326
173 HG21 VAL 24 3HG2 VAL 24 19.385 23.266 -3.864
174 HG22 VAL 24 1HG2 VAL 24 17.765 23.947 -3.711
175 HG23 VAL 24 2HG2 VAL 24 18.216 23.064 -5.170
176 H VAL 25 H VAL 25 17.660 27.602 -6.065
177 HA VAL 25 HA VAL 25 19.949 29.127 -6.765
178 HB VAL 25 HB VAL 25 18.148 28.650 -8.370
179 HG11 VAL 25 1HG1 VAL 25 16.518 30.612 -6.761
180 HG12 VAL 25 2HG1 VAL 25 16.032 29.832 -8.267
181 HG13 VAL 25 3HG1 VAL 25 16.261 28.868 -6.808
182 HG21 VAL 25 3HG2 VAL 25 17.931 31.543 -8.401
183 HG22 VAL 25 1HG2 VAL 25 19.578 31.000 -8.081
184 HG23 VAL 25 2HG2 VAL 25 18.738 30.459 -9.534
185 H ALA 26 H ALA 26 17.211 29.687 -4.649
186 HA ALA 26 HA ALA 26 17.823 32.473 -4.242
187 HB1 ALA 26 1HB ALA 26 16.129 31.955 -2.245
188 HB2 ALA 26 2HB ALA 26 15.596 32.219 -3.905
189 HB3 ALA 26 3HB ALA 26 15.763 30.577 -3.284
190 H ALA 27 H ALA 27 18.500 29.433 -2.642
191 HA ALA 27 HA ALA 27 19.330 30.395 -0.148
192 HB1 ALA 27 1HB ALA 27 19.058 28.110 -0.191
193 HB2 ALA 27 2HB ALA 27 19.914 27.928 -1.723
194 HB3 ALA 27 3HB ALA 27 20.815 28.253 -0.242
195 H TRP 28 H TRP 28 20.798 30.637 -3.236
196 HA TRP 28 HA TRP 28 23.510 30.765 -2.558
197 HB2 TRP 28 2HB TRP 28 21.920 31.231 -4.866
198 HB3 TRP 28 3HB TRP 28 22.957 32.638 -4.648
199 HD1 TRP 28 HD1 TRP 28 23.205 28.817 -5.129
200 HE1 TRP 28 HE1 TRP 28 25.513 28.283 -6.135
201 HE3 TRP 28 HE3 TRP 28 25.265 33.493 -4.964
202 HZ2 TRP 28 HZ2 TRP 28 27.892 29.661 -6.775
203 HZ3 TRP 28 HZ3 TRP 28 27.562 33.800 -5.792
204 HH2 TRP 28 HH2 TRP 28 28.846 31.922 -6.678
205 H LYS 29 H LYS 29 20.942 33.108 -2.251
206 HA LYS 29 HA LYS 29 22.561 35.401 -1.872
207 HB2 LYS 29 2HB LYS 29 20.583 36.508 -1.187
208 HB3 LYS 29 3HB LYS 29 20.082 35.348 -2.410
209 HG2 LYS 29 2HG LYS 29 19.693 33.827 -0.279
210 HG3 LYS 29 3HG LYS 29 19.527 35.402 0.501
211 HD2 LYS 29 2HD LYS 29 18.080 35.094 -2.045
212 HD3 LYS 29 3HD LYS 29 17.501 34.084 -0.719
213 HE2 LYS 29 2HE LYS 29 17.943 37.055 -0.492
214 HE3 LYS 29 3HE LYS 29 16.394 36.328 -0.916
215 HZ1 LYS 29 3HZ LYS 29 17.347 36.805 1.615
216 HZ2 LYS 29 1HZ LYS 29 17.490 35.131 1.419
217 HZ3 LYS 29 2HZ LYS 29 15.990 35.883 1.205
218 H SER 30 H SER 30 21.413 32.879 0.265
219 HA SER 30 HA SER 30 21.941 34.154 2.721
220 HB2 SER 30 2HB SER 30 21.372 32.160 3.691
221 HB3 SER 30 3HB SER 30 20.730 31.851 2.078
222 HG SER 30 HG SER 30 22.267 30.434 1.725
Start of MODEL 16
1 H1 VAL 1 H VAL 1 1.601 -1.661 -3.210
2 HA VAL 1 HA VAL 1 0.608 0.058 -1.936
3 HB VAL 1 HB VAL 1 3.368 -0.101 -0.731
4 HG11 VAL 1 1HG1 VAL 1 2.219 1.397 0.569
5 HG12 VAL 1 2HG1 VAL 1 0.654 0.650 0.242
6 HG13 VAL 1 3HG1 VAL 1 1.781 -0.114 1.365
7 HG21 VAL 1 3HG2 VAL 1 1.124 -2.104 -0.679
8 HG22 VAL 1 1HG2 VAL 1 2.805 -2.355 -1.150
9 HG23 VAL 1 2HG2 VAL 1 2.397 -2.067 0.542
10 H LYS 2 H LYS 2 3.081 0.925 -3.979
11 HA LYS 2 HA LYS 2 3.568 3.576 -2.961
12 HB2 LYS 2 2HB LYS 2 5.029 3.858 -4.789
13 HB3 LYS 2 3HB LYS 2 5.196 2.169 -4.330
14 HG2 LYS 2 2HG LYS 2 5.011 1.892 -6.565
15 HG3 LYS 2 3HG LYS 2 3.292 1.892 -6.165
16 HD2 LYS 2 2HD LYS 2 3.006 4.099 -6.896
17 HD3 LYS 2 3HD LYS 2 4.739 4.431 -6.850
18 HE2 LYS 2 2HE LYS 2 4.197 4.210 -9.131
19 HE3 LYS 2 3HE LYS 2 4.973 2.693 -8.682
20 HZ1 LYS 2 3HZ LYS 2 2.255 3.195 -9.527
21 HZ2 LYS 2 1HZ LYS 2 2.393 2.149 -8.204
22 HZ3 LYS 2 2HZ LYS 2 3.187 1.789 -9.654
23 H GLY 3 H GLY 3 1.219 2.076 -4.953
24 HA2 GLY 3 2HA GLY 3 0.494 4.255 -6.598
25 HA3 GLY 3 3HA GLY 3 -0.538 2.894 -6.183
26 H ARG 4 H ARG 4 -0.430 3.360 -3.326
27 HA ARG 4 HA ARG 4 -2.606 5.166 -3.107
28 HB2 ARG 4 2HB ARG 4 -0.877 3.826 -1.026
29 HB3 ARG 4 3HB ARG 4 -2.268 4.826 -0.628
30 HG2 ARG 4 2HG ARG 4 -3.776 3.305 -1.569
31 HG3 ARG 4 3HG ARG 4 -2.504 2.459 -2.452
32 HD2 ARG 4 2HD ARG 4 -1.819 2.360 0.284
33 HD3 ARG 4 3HD ARG 4 -3.530 1.949 0.167
34 HE ARG 4 HE ARG 4 -2.311 0.466 -1.785
35 HH11 ARG 4 1HH1 ARG 4 -1.960 0.810 1.661
36 HH12 ARG 4 2HH1 ARG 4 -1.424 -0.820 1.901
37 HH21 ARG 4 1HH2 ARG 4 -1.607 -1.682 -1.483
38 HH22 ARG 4 2HH2 ARG 4 -1.223 -2.237 0.112
39 H ILE 5 H ILE 5 0.835 5.401 -2.355
40 HA ILE 5 HA ILE 5 0.548 8.091 -1.315
41 HB ILE 5 HB ILE 5 3.017 8.028 -1.093
42 HG12 ILE 5 2HG1 ILE 5 2.835 5.143 -1.955
43 HG13 ILE 5 3HG1 ILE 5 3.282 6.431 -3.068
44 HG21 ILE 5 1HG2 ILE 5 2.628 7.170 0.915
45 HG22 ILE 5 2HG2 ILE 5 1.084 6.554 0.328
46 HG23 ILE 5 3HG2 ILE 5 2.528 5.546 0.234
47 HD11 ILE 5 3HD1 ILE 5 5.071 5.006 -1.730
48 HD12 ILE 5 1HD1 ILE 5 5.330 6.699 -2.149
49 HD13 ILE 5 2HD1 ILE 5 4.784 6.264 -0.529
50 H ASP 6 H ASP 6 1.151 6.577 -4.328
51 HA ASP 6 HA ASP 6 2.646 8.642 -5.576
52 HB2 ASP 6 2HB ASP 6 1.275 6.174 -6.410
53 HB3 ASP 6 3HB ASP 6 1.336 7.428 -7.645
54 H ALA 7 H ALA 7 -0.792 8.010 -5.202
55 HA ALA 7 HA ALA 7 -1.793 9.858 -7.045
56 HB1 ALA 7 1HB ALA 7 -2.849 8.145 -5.083
57 HB2 ALA 7 2HB ALA 7 -3.481 9.755 -4.735
58 HB3 ALA 7 3HB ALA 7 -3.725 9.037 -6.328
59 HA PRO 8 HA PRO 8 -1.916 13.081 -3.438
60 HB2 PRO 8 2HB PRO 8 -0.507 12.481 -1.196
61 HB3 PRO 8 3HB PRO 8 -2.203 12.030 -1.415
62 HG2 PRO 8 2HG PRO 8 0.261 10.369 -1.780
63 HG3 PRO 8 3HG PRO 8 -1.276 9.937 -1.008
64 HD2 PRO 8 2HD PRO 8 -0.650 9.184 -3.533
65 HD3 PRO 8 3HD PRO 8 -2.316 9.525 -3.024
66 H ASP 9 H ASP 9 1.015 11.205 -3.933
67 HA ASP 9 HA ASP 9 2.770 13.452 -3.513
68 HB2 ASP 9 2HB ASP 9 3.461 11.117 -3.015
69 HB3 ASP 9 3HB ASP 9 3.377 10.753 -4.736
70 H PHE 10 H PHE 10 0.915 12.233 -6.094
71 HA PHE 10 HA PHE 10 2.459 12.888 -8.322
72 HB2 PHE 10 2HB PHE 10 -0.142 11.978 -7.861
73 HB3 PHE 10 3HB PHE 10 -0.348 13.490 -8.739
74 HD1 PHE 10 HD2 PHE 10 1.709 13.624 -10.653
75 HD2 PHE 10 HD1 PHE 10 -0.346 10.172 -9.247
76 HE1 PHE 10 HE2 PHE 10 2.217 12.466 -12.764
77 HE2 PHE 10 HE1 PHE 10 0.160 9.008 -11.355
78 HZ PHE 10 HZ PHE 10 1.442 10.156 -13.118
79 HA PRO 11 HA PRO 11 0.397 17.268 -8.201
80 HB2 PRO 11 2HB PRO 11 -0.835 17.975 -5.888
81 HB3 PRO 11 3HB PRO 11 -1.676 17.166 -7.216
82 HG2 PRO 11 2HG PRO 11 -0.564 16.004 -4.691
83 HG3 PRO 11 3HG PRO 11 -2.112 15.670 -5.489
84 HD2 PRO 11 2HD PRO 11 0.029 14.028 -5.717
85 HD3 PRO 11 3HD PRO 11 -1.156 14.239 -7.023
86 H SER 12 H SER 12 1.834 15.926 -5.296
87 HA SER 12 HA SER 12 3.038 18.426 -4.497
88 HB2 SER 12 2HB SER 12 3.748 15.685 -3.450
89 HB3 SER 12 3HB SER 12 3.916 17.240 -2.634
90 HG SER 12 HG SER 12 2.094 16.311 -1.818
91 H SER 13 H SER 13 3.800 15.867 -6.617
92 HA SER 13 HA SER 13 6.584 15.778 -6.494
93 HB2 SER 13 2HB SER 13 4.564 14.733 -8.174
94 HB3 SER 13 3HB SER 13 5.716 15.553 -9.227
95 HG SER 13 HG SER 13 7.292 14.212 -8.579
96 HA PRO 14 HA PRO 14 6.602 19.300 -9.827
97 HB2 PRO 14 2HB PRO 14 4.306 20.724 -10.093
98 HB3 PRO 14 3HB PRO 14 4.655 19.278 -11.048
99 HG2 PRO 14 2HG PRO 14 2.961 19.567 -8.597
100 HG3 PRO 14 3HG PRO 14 2.638 18.647 -10.078
101 HD2 PRO 14 2HD PRO 14 3.536 17.481 -7.805
102 HD3 PRO 14 3HD PRO 14 3.965 16.881 -9.420
103 H ALA 15 H ALA 15 4.848 19.592 -6.826
104 HA ALA 15 HA ALA 15 5.466 22.383 -6.454
105 HB1 ALA 15 1HB ALA 15 3.437 21.116 -5.533
106 HB2 ALA 15 2HB ALA 15 4.540 20.526 -4.289
107 HB3 ALA 15 3HB ALA 15 4.253 22.257 -4.464
108 H ILE 16 H ILE 16 6.650 19.292 -5.199
109 HA ILE 16 HA ILE 16 8.555 20.489 -3.431
110 HB ILE 16 HB ILE 16 7.579 18.196 -3.125
111 HG12 ILE 16 2HG1 ILE 16 10.600 18.327 -3.224
112 HG13 ILE 16 3HG1 ILE 16 9.604 18.980 -1.928
113 HG21 ILE 16 1HG2 ILE 16 8.579 16.336 -4.345
114 HG22 ILE 16 2HG2 ILE 16 7.762 17.447 -5.443
115 HG23 ILE 16 3HG2 ILE 16 9.521 17.469 -5.314
116 HD11 ILE 16 3HD1 ILE 16 8.734 16.652 -1.575
117 HD12 ILE 16 1HD1 ILE 16 9.985 16.102 -2.689
118 HD13 ILE 16 2HD1 ILE 16 10.434 16.902 -1.182
119 H LEU 17 H LEU 17 8.609 19.272 -6.721
120 HA LEU 17 HA LEU 17 11.460 19.380 -6.987
121 HB2 LEU 17 2HB LEU 17 9.691 18.015 -8.332
122 HB3 LEU 17 3HB LEU 17 9.583 19.477 -9.311
123 HG LEU 17 HG LEU 17 12.334 18.686 -8.971
124 HD11 LEU 17 1HD1 LEU 17 11.723 16.443 -8.752
125 HD12 LEU 17 2HD1 LEU 17 12.057 16.635 -10.473
126 HD13 LEU 17 3HD1 LEU 17 10.391 16.597 -9.897
127 HD21 LEU 17 3HD2 LEU 17 12.407 18.989 -11.306
128 HD22 LEU 17 1HD2 LEU 17 11.243 20.174 -10.712
129 HD23 LEU 17 2HD2 LEU 17 10.677 18.691 -11.480
130 H GLY 18 H GLY 18 8.789 21.564 -7.596
131 HA2 GLY 18 2HA GLY 18 10.421 23.467 -9.036
132 HA3 GLY 18 3HA GLY 18 8.748 23.684 -8.546
133 H LYS 19 H LYS 19 9.395 22.966 -5.742
134 HA LYS 19 HA LYS 19 10.115 25.618 -4.877
135 HB2 LYS 19 2HB LYS 19 9.271 23.106 -3.449
136 HB3 LYS 19 3HB LYS 19 9.827 24.521 -2.565
137 HG2 LYS 19 2HG LYS 19 8.002 25.800 -3.208
138 HG3 LYS 19 3HG LYS 19 7.625 24.750 -4.576
139 HD2 LYS 19 2HD LYS 19 6.095 23.795 -3.261
140 HD3 LYS 19 3HD LYS 19 7.444 23.074 -2.379
141 HE2 LYS 19 2HE LYS 19 6.665 25.846 -1.667
142 HE3 LYS 19 3HE LYS 19 5.574 24.549 -1.186
143 HZ1 LYS 19 3HZ LYS 19 8.086 25.295 -0.072
144 HZ2 LYS 19 1HZ LYS 19 8.076 23.660 -0.507
145 HZ3 LYS 19 2HZ LYS 19 6.901 24.260 0.551
146 H ALA 20 H ALA 20 11.630 22.478 -5.049
147 HA ALA 20 HA ALA 20 13.793 23.013 -3.294
148 HB1 ALA 20 1HB ALA 20 13.801 20.793 -3.582
149 HB2 ALA 20 2HB ALA 20 13.030 20.898 -5.165
150 HB3 ALA 20 3HB ALA 20 14.771 21.133 -5.015
151 H ALA 21 H ALA 21 13.245 23.579 -6.712
152 HA ALA 21 HA ALA 21 15.947 24.219 -7.354
153 HB1 ALA 21 1HB ALA 21 14.654 23.564 -9.180
154 HB2 ALA 21 2HB ALA 21 13.324 24.637 -8.744
155 HB3 ALA 21 3HB ALA 21 14.822 25.307 -9.389
156 H THR 22 H THR 22 13.107 26.113 -6.438
157 HA THR 22 HA THR 22 14.481 28.630 -6.731
158 HB THR 22 HB THR 22 12.056 28.489 -7.112
159 HG1 THR 22 HG1 THR 22 11.767 30.450 -6.280
160 HG21 THR 22 3HG2 THR 22 11.683 26.775 -5.285
161 HG22 THR 22 1HG2 THR 22 10.494 28.073 -5.373
162 HG23 THR 22 2HG2 THR 22 11.752 28.112 -4.138
163 H ASP 23 H ASP 23 14.016 26.289 -4.240
164 HA ASP 23 HA ASP 23 14.509 28.042 -2.030
165 HB2 ASP 23 2HB ASP 23 14.277 25.084 -2.398
166 HB3 ASP 23 3HB ASP 23 15.015 25.700 -0.921
167 H VAL 24 H VAL 24 16.463 25.903 -4.032
168 HA VAL 24 HA VAL 24 18.838 26.161 -2.469
169 HB VAL 24 HB VAL 24 18.495 25.295 -5.344
170 HG11 VAL 24 1HG1 VAL 24 20.727 25.693 -5.345
171 HG12 VAL 24 2HG1 VAL 24 20.865 25.559 -3.591
172 HG13 VAL 24 3HG1 VAL 24 20.760 24.104 -4.582
173 HG21 VAL 24 3HG2 VAL 24 19.092 23.438 -3.090
174 HG22 VAL 24 1HG2 VAL 24 17.436 24.001 -3.319
175 HG23 VAL 24 2HG2 VAL 24 18.259 23.130 -4.614
176 H VAL 25 H VAL 25 17.490 27.853 -5.240
177 HA VAL 25 HA VAL 25 19.823 29.358 -5.857
178 HB VAL 25 HB VAL 25 16.932 29.958 -6.497
179 HG11 VAL 25 1HG1 VAL 25 18.088 31.242 -8.413
180 HG12 VAL 25 2HG1 VAL 25 18.029 31.985 -6.813
181 HG13 VAL 25 3HG1 VAL 25 19.511 31.207 -7.373
182 HG21 VAL 25 3HG2 VAL 25 18.470 27.849 -7.373
183 HG22 VAL 25 1HG2 VAL 25 17.050 28.504 -8.190
184 HG23 VAL 25 2HG2 VAL 25 18.663 29.046 -8.655
185 H ALA 26 H ALA 26 17.024 29.906 -3.791
186 HA ALA 26 HA ALA 26 17.773 32.619 -3.171
187 HB1 ALA 26 1HB ALA 26 15.835 31.078 -1.511
188 HB2 ALA 26 2HB ALA 26 15.798 32.769 -2.010
189 HB3 ALA 26 3HB ALA 26 15.405 31.499 -3.169
190 H ALA 27 H ALA 27 18.250 29.448 -1.788
191 HA ALA 27 HA ALA 27 19.199 30.441 0.746
192 HB1 ALA 27 1HB ALA 27 19.351 27.674 -0.446
193 HB2 ALA 27 2HB ALA 27 19.727 28.100 1.224
194 HB3 ALA 27 3HB ALA 27 18.081 28.280 0.617
195 H TRP 28 H TRP 28 20.613 29.286 -2.264
196 HA TRP 28 HA TRP 28 23.289 29.156 -1.339
197 HB2 TRP 28 2HB TRP 28 22.655 27.963 -3.340
198 HB3 TRP 28 3HB TRP 28 22.152 29.457 -4.124
199 HD1 TRP 28 HD1 TRP 28 25.486 28.333 -2.453
200 HE1 TRP 28 HE1 TRP 28 27.407 28.949 -4.051
201 HE3 TRP 28 HE3 TRP 28 22.754 30.393 -6.251
202 HZ2 TRP 28 HZ2 TRP 28 27.723 30.150 -6.585
203 HZ3 TRP 28 HZ3 TRP 28 23.942 31.253 -8.227
204 HH2 TRP 28 HH2 TRP 28 26.375 31.133 -8.388
205 H LYS 29 H LYS 29 21.380 31.689 -2.890
206 HA LYS 29 HA LYS 29 23.558 33.516 -3.158
207 HB2 LYS 29 2HB LYS 29 21.804 35.176 -3.674
208 HB3 LYS 29 3HB LYS 29 21.620 33.699 -4.610
209 HG2 LYS 29 2HG LYS 29 19.459 34.067 -3.982
210 HG3 LYS 29 3HG LYS 29 20.002 33.035 -2.657
211 HD2 LYS 29 2HD LYS 29 19.681 34.654 -1.156
212 HD3 LYS 29 3HD LYS 29 20.560 35.829 -2.136
213 HE2 LYS 29 2HE LYS 29 18.327 35.723 -3.569
214 HE3 LYS 29 3HE LYS 29 17.651 35.238 -2.015
215 HZ1 LYS 29 3HZ LYS 29 17.564 37.386 -1.528
216 HZ2 LYS 29 1HZ LYS 29 18.461 37.818 -2.896
217 HZ3 LYS 29 2HZ LYS 29 19.254 37.397 -1.463
218 H SER 30 H SER 30 21.244 32.781 -0.661
219 HA SER 30 HA SER 30 21.596 35.168 0.850
220 HB2 SER 30 2HB SER 30 20.370 32.487 1.363
221 HB3 SER 30 3HB SER 30 20.689 33.554 2.731
222 HG SER 30 HG SER 30 19.186 34.905 2.051
Start of MODEL 17
1 H1 VAL 1 H VAL 1 1.644 -0.505 0.444
2 HA VAL 1 HA VAL 1 2.704 -0.616 -1.568
3 HB VAL 1 HB VAL 1 1.326 -0.405 -3.640
4 HG11 VAL 1 1HG1 VAL 1 -0.296 -2.189 -1.956
5 HG12 VAL 1 2HG1 VAL 1 0.628 -2.535 -3.419
6 HG13 VAL 1 3HG1 VAL 1 1.447 -2.438 -1.860
7 HG21 VAL 1 3HG2 VAL 1 -0.428 0.955 -1.871
8 HG22 VAL 1 1HG2 VAL 1 -0.604 0.690 -3.605
9 HG23 VAL 1 2HG2 VAL 1 -1.258 -0.483 -2.462
10 H LYS 2 H LYS 2 3.133 0.731 -3.646
11 HA LYS 2 HA LYS 2 3.715 3.413 -2.769
12 HB2 LYS 2 2HB LYS 2 5.085 3.591 -4.677
13 HB3 LYS 2 3HB LYS 2 5.242 1.916 -4.164
14 HG2 LYS 2 2HG LYS 2 4.934 1.563 -6.375
15 HG3 LYS 2 3HG LYS 2 3.239 1.613 -5.886
16 HD2 LYS 2 2HD LYS 2 3.146 3.099 -7.608
17 HD3 LYS 2 3HD LYS 2 3.602 4.215 -6.318
18 HE2 LYS 2 2HE LYS 2 5.253 4.799 -7.727
19 HE3 LYS 2 3HE LYS 2 6.036 3.338 -7.127
20 HZ1 LYS 2 3HZ LYS 2 5.706 3.781 -9.686
21 HZ2 LYS 2 1HZ LYS 2 4.203 3.065 -9.388
22 HZ3 LYS 2 2HZ LYS 2 5.626 2.219 -9.043
23 H GLY 3 H GLY 3 1.238 1.875 -4.565
24 HA2 GLY 3 2HA GLY 3 0.463 4.014 -6.250
25 HA3 GLY 3 3HA GLY 3 -0.558 2.671 -5.756
26 H ARG 4 H ARG 4 -0.368 3.179 -2.930
27 HA ARG 4 HA ARG 4 -2.505 5.016 -2.662
28 HB2 ARG 4 2HB ARG 4 -0.908 3.299 -0.882
29 HB3 ARG 4 3HB ARG 4 -1.549 4.748 -0.119
30 HG2 ARG 4 2HG ARG 4 -3.763 4.118 -0.507
31 HG3 ARG 4 3HG ARG 4 -3.302 2.921 -1.720
32 HD2 ARG 4 2HD ARG 4 -1.958 2.037 0.484
33 HD3 ARG 4 3HD ARG 4 -3.425 2.703 1.200
34 HE ARG 4 HE ARG 4 -4.299 1.165 -0.887
35 HH11 ARG 4 1HH1 ARG 4 -2.354 0.626 1.949
36 HH12 ARG 4 2HH1 ARG 4 -2.831 -1.031 2.121
37 HH21 ARG 4 1HH2 ARG 4 -4.935 -1.015 -0.672
38 HH22 ARG 4 2HH2 ARG 4 -4.298 -1.963 0.628
39 H ILE 5 H ILE 5 0.964 5.240 -2.039
40 HA ILE 5 HA ILE 5 0.736 7.956 -1.056
41 HB ILE 5 HB ILE 5 2.421 6.355 -0.142
42 HG12 ILE 5 2HG1 ILE 5 4.273 7.999 -0.086
43 HG13 ILE 5 3HG1 ILE 5 3.508 8.883 -1.402
44 HG21 ILE 5 1HG2 ILE 5 3.858 6.810 -2.752
45 HG22 ILE 5 2HG2 ILE 5 4.403 5.829 -1.392
46 HG23 ILE 5 3HG2 ILE 5 2.997 5.330 -2.331
47 HD11 ILE 5 3HD1 ILE 5 2.164 8.387 1.236
48 HD12 ILE 5 1HD1 ILE 5 3.151 9.809 0.901
49 HD13 ILE 5 2HD1 ILE 5 1.686 9.511 -0.036
50 H ASP 6 H ASP 6 1.211 6.368 -4.053
51 HA ASP 6 HA ASP 6 2.679 8.386 -5.404
52 HB2 ASP 6 2HB ASP 6 2.658 6.193 -6.351
53 HB3 ASP 6 3HB ASP 6 0.898 6.159 -6.394
54 H ALA 7 H ALA 7 -0.749 7.804 -4.885
55 HA ALA 7 HA ALA 7 -1.798 9.622 -6.730
56 HB1 ALA 7 1HB ALA 7 -3.552 9.706 -4.599
57 HB2 ALA 7 2HB ALA 7 -3.589 8.558 -5.938
58 HB3 ALA 7 3HB ALA 7 -2.769 8.134 -4.435
59 HA PRO 8 HA PRO 8 -1.750 12.924 -3.195
60 HB2 PRO 8 2HB PRO 8 -0.265 12.358 -0.995
61 HB3 PRO 8 3HB PRO 8 -1.972 11.922 -1.140
62 HG2 PRO 8 2HG PRO 8 0.458 10.225 -1.559
63 HG3 PRO 8 3HG PRO 8 -1.053 9.828 -0.721
64 HD2 PRO 8 2HD PRO 8 -0.531 9.012 -3.250
65 HD3 PRO 8 3HD PRO 8 -2.173 9.384 -2.686
66 H ASP 9 H ASP 9 1.138 11.004 -3.760
67 HA ASP 9 HA ASP 9 2.932 13.240 -3.456
68 HB2 ASP 9 2HB ASP 9 3.665 10.957 -2.912
69 HB3 ASP 9 3HB ASP 9 3.423 10.478 -4.590
70 H PHE 10 H PHE 10 0.968 11.985 -5.937
71 HA PHE 10 HA PHE 10 2.434 12.572 -8.236
72 HB2 PHE 10 2HB PHE 10 -0.143 11.682 -7.667
73 HB3 PHE 10 3HB PHE 10 -0.391 13.193 -8.537
74 HD1 PHE 10 HD2 PHE 10 1.864 10.225 -8.798
75 HD2 PHE 10 HD1 PHE 10 -0.704 12.975 -10.789
76 HE1 PHE 10 HE2 PHE 10 2.273 9.061 -10.926
77 HE2 PHE 10 HE1 PHE 10 -0.300 11.814 -12.920
78 HZ PHE 10 HZ PHE 10 1.191 9.855 -12.991
79 HA PRO 11 HA PRO 11 0.424 16.977 -8.135
80 HB2 PRO 11 2HB PRO 11 -0.709 17.750 -5.792
81 HB3 PRO 11 3HB PRO 11 -1.610 16.921 -7.067
82 HG2 PRO 11 2HG PRO 11 -0.411 15.803 -4.562
83 HG3 PRO 11 3HG PRO 11 -1.993 15.470 -5.292
84 HD2 PRO 11 2HD PRO 11 0.120 13.798 -5.566
85 HD3 PRO 11 3HD PRO 11 -1.113 13.994 -6.828
86 H SER 12 H SER 12 1.962 15.683 -5.261
87 HA SER 12 HA SER 12 3.222 18.186 -4.567
88 HB2 SER 12 2HB SER 12 3.137 15.440 -3.431
89 HB3 SER 12 3HB SER 12 4.559 16.414 -3.059
90 HG SER 12 HG SER 12 3.039 18.070 -2.373
91 H SER 13 H SER 13 3.876 15.565 -6.649
92 HA SER 13 HA SER 13 6.659 15.446 -6.638
93 HB2 SER 13 2HB SER 13 4.577 14.365 -8.189
94 HB3 SER 13 3HB SER 13 5.638 15.193 -9.329
95 HG SER 13 HG SER 13 6.394 13.111 -9.041
96 HA PRO 14 HA PRO 14 6.593 18.905 -10.035
97 HB2 PRO 14 2HB PRO 14 4.308 20.356 -10.239
98 HB3 PRO 14 3HB PRO 14 4.601 18.888 -11.178
99 HG2 PRO 14 2HG PRO 14 3.007 19.245 -8.669
100 HG3 PRO 14 3HG PRO 14 2.615 18.303 -10.119
101 HD2 PRO 14 2HD PRO 14 3.585 17.166 -7.861
102 HD3 PRO 14 3HD PRO 14 3.942 16.531 -9.479
103 H ALA 15 H ALA 15 4.972 19.271 -6.970
104 HA ALA 15 HA ALA 15 5.630 22.062 -6.675
105 HB1 ALA 15 1HB ALA 15 4.976 20.679 -4.211
106 HB2 ALA 15 2HB ALA 15 4.153 22.020 -5.008
107 HB3 ALA 15 3HB ALA 15 3.803 20.360 -5.489
108 H ILE 16 H ILE 16 6.852 18.982 -5.434
109 HA ILE 16 HA ILE 16 8.821 20.162 -3.740
110 HB ILE 16 HB ILE 16 8.569 17.356 -4.824
111 HG12 ILE 16 2HG1 ILE 16 6.785 18.121 -3.269
112 HG13 ILE 16 3HG1 ILE 16 7.749 16.805 -2.609
113 HG21 ILE 16 1HG2 ILE 16 10.133 17.334 -2.509
114 HG22 ILE 16 2HG2 ILE 16 10.659 17.009 -4.159
115 HG23 ILE 16 3HG2 ILE 16 10.777 18.641 -3.502
116 HD11 ILE 16 3HD1 ILE 16 7.259 18.518 -0.942
117 HD12 ILE 16 1HD1 ILE 16 8.990 18.374 -1.242
118 HD13 ILE 16 2HD1 ILE 16 8.084 19.718 -1.936
119 H LEU 17 H LEU 17 8.840 18.839 -7.016
120 HA LEU 17 HA LEU 17 11.655 19.086 -7.383
121 HB2 LEU 17 2HB LEU 17 9.322 18.364 -9.011
122 HB3 LEU 17 3HB LEU 17 10.641 19.115 -9.906
123 HG LEU 17 HG LEU 17 10.743 16.665 -9.969
124 HD11 LEU 17 1HD1 LEU 17 12.858 18.410 -8.974
125 HD12 LEU 17 2HD1 LEU 17 12.883 17.223 -10.278
126 HD13 LEU 17 3HD1 LEU 17 13.119 16.704 -8.609
127 HD21 LEU 17 3HD2 LEU 17 11.284 16.790 -7.009
128 HD22 LEU 17 1HD2 LEU 17 11.144 15.354 -8.023
129 HD23 LEU 17 2HD2 LEU 17 9.723 16.347 -7.701
130 H GLY 18 H GLY 18 8.907 21.192 -7.892
131 HA2 GLY 18 2HA GLY 18 10.415 23.130 -9.415
132 HA3 GLY 18 3HA GLY 18 8.765 23.309 -8.836
133 H LYS 19 H LYS 19 9.567 22.624 -6.069
134 HA LYS 19 HA LYS 19 10.278 25.294 -5.253
135 HB2 LYS 19 2HB LYS 19 9.488 22.780 -3.819
136 HB3 LYS 19 3HB LYS 19 10.169 24.131 -2.922
137 HG2 LYS 19 2HG LYS 19 8.367 25.524 -3.415
138 HG3 LYS 19 3HG LYS 19 7.828 24.506 -4.753
139 HD2 LYS 19 2HD LYS 19 6.331 24.194 -2.901
140 HD3 LYS 19 3HD LYS 19 7.290 22.725 -3.100
141 HE2 LYS 19 2HE LYS 19 7.747 22.898 -0.923
142 HE3 LYS 19 3HE LYS 19 8.798 24.243 -1.361
143 HZ1 LYS 19 3HZ LYS 19 6.123 25.130 -1.164
144 HZ2 LYS 19 1HZ LYS 19 7.477 25.632 -0.281
145 HZ3 LYS 19 2HZ LYS 19 6.554 24.321 0.257
146 H ALA 20 H ALA 20 11.835 22.168 -5.445
147 HA ALA 20 HA ALA 20 14.074 22.758 -3.818
148 HB1 ALA 20 1HB ALA 20 15.132 20.835 -5.041
149 HB2 ALA 20 2HB ALA 20 13.585 20.478 -4.271
150 HB3 ALA 20 3HB ALA 20 13.663 20.739 -6.013
151 H ALA 21 H ALA 21 13.392 23.218 -7.241
152 HA ALA 21 HA ALA 21 16.040 23.950 -7.982
153 HB1 ALA 21 1HB ALA 21 13.430 24.578 -9.357
154 HB2 ALA 21 2HB ALA 21 15.039 24.714 -10.068
155 HB3 ALA 21 3HB ALA 21 14.408 23.132 -9.610
156 H THR 22 H THR 22 13.184 25.756 -6.963
157 HA THR 22 HA THR 22 14.431 28.319 -7.384
158 HB THR 22 HB THR 22 11.894 27.665 -5.873
159 HG1 THR 22 HG1 THR 22 11.534 27.078 -7.964
160 HG21 THR 22 3HG2 THR 22 11.923 29.821 -5.306
161 HG22 THR 22 1HG2 THR 22 11.763 30.216 -7.016
162 HG23 THR 22 2HG2 THR 22 13.363 30.113 -6.281
163 H ASP 23 H ASP 23 14.198 26.020 -4.816
164 HA ASP 23 HA ASP 23 14.774 27.845 -2.684
165 HB2 ASP 23 2HB ASP 23 14.646 24.863 -2.952
166 HB3 ASP 23 3HB ASP 23 15.385 25.576 -1.520
167 H VAL 24 H VAL 24 16.662 25.675 -4.725
168 HA VAL 24 HA VAL 24 19.116 26.020 -3.328
169 HB VAL 24 HB VAL 24 18.633 25.144 -6.179
170 HG11 VAL 24 1HG1 VAL 24 21.091 25.298 -4.490
171 HG12 VAL 24 2HG1 VAL 24 20.933 24.014 -5.690
172 HG13 VAL 24 3HG1 VAL 24 20.870 25.704 -6.192
173 HG21 VAL 24 3HG2 VAL 24 19.464 23.160 -4.200
174 HG22 VAL 24 1HG2 VAL 24 17.879 23.865 -3.880
175 HG23 VAL 24 2HG2 VAL 24 18.199 23.078 -5.426
176 H VAL 25 H VAL 25 17.559 27.683 -6.001
177 HA VAL 25 HA VAL 25 19.814 29.230 -6.777
178 HB VAL 25 HB VAL 25 16.874 29.783 -7.204
179 HG11 VAL 25 1HG1 VAL 25 19.360 31.107 -8.198
180 HG12 VAL 25 2HG1 VAL 25 17.920 31.066 -9.217
181 HG13 VAL 25 3HG1 VAL 25 17.855 31.828 -7.627
182 HG21 VAL 25 3HG2 VAL 25 18.363 27.698 -8.192
183 HG22 VAL 25 1HG2 VAL 25 16.895 28.349 -8.920
184 HG23 VAL 25 2HG2 VAL 25 18.475 28.900 -9.477
185 H ALA 26 H ALA 26 17.176 29.717 -4.500
186 HA ALA 26 HA ALA 26 17.909 32.445 -3.932
187 HB1 ALA 26 1HB ALA 26 15.927 32.574 -2.906
188 HB2 ALA 26 2HB ALA 26 15.611 30.990 -3.615
189 HB3 ALA 26 3HB ALA 26 16.216 31.111 -1.963
190 H ALA 27 H ALA 27 18.509 29.281 -2.551
191 HA ALA 27 HA ALA 27 19.460 30.049 -0.033
192 HB1 ALA 27 1HB ALA 27 20.948 27.831 -0.634
193 HB2 ALA 27 2HB ALA 27 19.318 27.819 0.040
194 HB3 ALA 27 3HB ALA 27 19.554 27.655 -1.700
195 H TRP 28 H TRP 28 20.836 30.424 -3.149
196 HA TRP 28 HA TRP 28 23.572 30.396 -2.560
197 HB2 TRP 28 2HB TRP 28 22.474 30.503 -4.851
198 HB3 TRP 28 3HB TRP 28 22.266 32.230 -4.571
199 HD1 TRP 28 HD1 TRP 28 25.385 30.000 -3.940
200 HE1 TRP 28 HE1 TRP 28 27.375 31.063 -5.179
201 HE3 TRP 28 HE3 TRP 28 22.956 33.899 -6.185
202 HZ2 TRP 28 HZ2 TRP 28 27.853 33.263 -6.881
203 HZ3 TRP 28 HZ3 TRP 28 24.253 35.437 -7.602
204 HH2 TRP 28 HH2 TRP 28 26.650 35.124 -7.941
205 H LYS 29 H LYS 29 21.114 32.766 -1.926
206 HA LYS 29 HA LYS 29 22.856 34.976 -1.482
207 HB2 LYS 29 2HB LYS 29 20.949 36.130 -0.682
208 HB3 LYS 29 3HB LYS 29 20.368 35.081 -1.968
209 HG2 LYS 29 2HG LYS 29 19.942 33.440 0.064
210 HG3 LYS 29 3HG LYS 29 19.870 34.964 0.951
211 HD2 LYS 29 2HD LYS 29 18.346 34.761 -1.592
212 HD3 LYS 29 3HD LYS 29 17.724 33.895 -0.186
213 HE2 LYS 29 2HE LYS 29 16.766 35.822 0.403
214 HE3 LYS 29 3HE LYS 29 18.385 36.374 0.828
215 HZ1 LYS 29 3HZ LYS 29 18.515 37.025 -1.642
216 HZ2 LYS 29 1HZ LYS 29 17.628 38.010 -0.590
217 HZ3 LYS 29 2HZ LYS 29 16.827 36.925 -1.610
218 H SER 30 H SER 30 21.622 32.375 0.508
219 HA SER 30 HA SER 30 22.359 33.498 3.015
220 HB2 SER 30 2HB SER 30 20.719 31.787 3.080
221 HB3 SER 30 3HB SER 30 21.712 30.691 2.119
222 HG SER 30 HG SER 30 22.507 31.620 4.670
Start of MODEL 18
1 H1 VAL 1 H VAL 1 0.816 -0.742 0.211
2 HA VAL 1 HA VAL 1 2.692 -0.509 -1.323
3 HB VAL 1 HB VAL 1 1.553 -0.519 -3.507
4 HG11 VAL 1 1HG1 VAL 1 0.605 -2.572 -3.199
5 HG12 VAL 1 2HG1 VAL 1 1.460 -2.415 -1.663
6 HG13 VAL 1 3HG1 VAL 1 -0.269 -2.075 -1.750
7 HG21 VAL 1 3HG2 VAL 1 -0.164 0.947 -3.615
8 HG22 VAL 1 1HG2 VAL 1 -1.105 -0.451 -3.095
9 HG23 VAL 1 2HG2 VAL 1 -0.583 0.749 -1.913
10 H LYS 2 H LYS 2 3.186 0.768 -3.475
11 HA LYS 2 HA LYS 2 3.662 3.492 -2.658
12 HB2 LYS 2 2HB LYS 2 5.141 3.637 -4.485
13 HB3 LYS 2 3HB LYS 2 5.305 1.985 -3.904
14 HG2 LYS 2 2HG LYS 2 5.139 1.548 -6.114
15 HG3 LYS 2 3HG LYS 2 3.416 1.575 -5.731
16 HD2 LYS 2 2HD LYS 2 3.403 2.996 -7.510
17 HD3 LYS 2 3HD LYS 2 3.746 4.166 -6.235
18 HE2 LYS 2 2HE LYS 2 6.206 3.728 -6.718
19 HE3 LYS 2 3HE LYS 2 5.662 2.905 -8.179
20 HZ1 LYS 2 3HZ LYS 2 6.233 5.485 -8.108
21 HZ2 LYS 2 1HZ LYS 2 4.589 5.570 -7.715
22 HZ3 LYS 2 2HZ LYS 2 5.077 4.835 -9.158
23 H GLY 3 H GLY 3 1.322 1.831 -4.517
24 HA2 GLY 3 2HA GLY 3 0.603 3.889 -6.329
25 HA3 GLY 3 3HA GLY 3 -0.411 2.536 -5.851
26 H ARG 4 H ARG 4 -0.362 3.172 -3.025
27 HA ARG 4 HA ARG 4 -2.563 4.969 -2.962
28 HB2 ARG 4 2HB ARG 4 -2.666 4.535 -0.639
29 HB3 ARG 4 3HB ARG 4 -2.123 3.033 -1.377
30 HG2 ARG 4 2HG ARG 4 0.256 4.017 -0.846
31 HG3 ARG 4 3HG ARG 4 -0.646 4.942 0.356
32 HD2 ARG 4 2HD ARG 4 -1.580 2.823 1.225
33 HD3 ARG 4 3HD ARG 4 -0.578 1.940 0.074
34 HE ARG 4 HE ARG 4 1.173 3.511 1.472
35 HH11 ARG 4 1HH1 ARG 4 -1.188 1.087 2.291
36 HH12 ARG 4 2HH1 ARG 4 -0.333 0.543 3.696
37 HH21 ARG 4 1HH2 ARG 4 2.308 2.802 3.320
38 HH22 ARG 4 2HH2 ARG 4 1.655 1.519 4.281
39 H ILE 5 H ILE 5 0.860 5.256 -2.188
40 HA ILE 5 HA ILE 5 0.542 7.981 -1.243
41 HB ILE 5 HB ILE 5 2.180 6.570 -0.126
42 HG12 ILE 5 2HG1 ILE 5 3.784 8.575 -1.689
43 HG13 ILE 5 3HG1 ILE 5 2.524 9.103 -0.579
44 HG21 ILE 5 1HG2 ILE 5 4.345 6.179 -1.588
45 HG22 ILE 5 2HG2 ILE 5 3.015 5.022 -1.580
46 HG23 ILE 5 3HG2 ILE 5 3.168 6.180 -2.901
47 HD11 ILE 5 3HD1 ILE 5 5.089 7.689 0.019
48 HD12 ILE 5 1HD1 ILE 5 4.464 9.197 0.686
49 HD13 ILE 5 2HD1 ILE 5 3.741 7.658 1.156
50 H ASP 6 H ASP 6 1.202 6.350 -4.181
51 HA ASP 6 HA ASP 6 2.707 8.380 -5.480
52 HB2 ASP 6 2HB ASP 6 2.855 6.234 -6.444
53 HB3 ASP 6 3HB ASP 6 1.106 6.028 -6.463
54 H ALA 7 H ALA 7 -0.729 7.706 -5.165
55 HA ALA 7 HA ALA 7 -1.712 9.460 -7.106
56 HB1 ALA 7 1HB ALA 7 -2.784 7.847 -5.038
57 HB2 ALA 7 2HB ALA 7 -3.492 9.456 -4.893
58 HB3 ALA 7 3HB ALA 7 -3.620 8.570 -6.412
59 HA PRO 8 HA PRO 8 -1.973 12.823 -3.637
60 HB2 PRO 8 2HB PRO 8 -0.600 12.342 -1.345
61 HB3 PRO 8 3HB PRO 8 -2.282 11.850 -1.579
62 HG2 PRO 8 2HG PRO 8 0.219 10.223 -1.827
63 HG3 PRO 8 3HG PRO 8 -1.325 9.793 -1.069
64 HD2 PRO 8 2HD PRO 8 -0.634 8.951 -3.548
65 HD3 PRO 8 3HD PRO 8 -2.316 9.281 -3.086
66 H ASP 9 H ASP 9 1.003 10.985 -3.990
67 HA ASP 9 HA ASP 9 2.705 13.283 -3.632
68 HB2 ASP 9 2HB ASP 9 3.503 11.065 -2.986
69 HB3 ASP 9 3HB ASP 9 3.323 10.500 -4.645
70 H PHE 10 H PHE 10 0.930 11.916 -6.195
71 HA PHE 10 HA PHE 10 2.510 12.502 -8.417
72 HB2 PHE 10 2HB PHE 10 -0.064 11.540 -7.983
73 HB3 PHE 10 3HB PHE 10 -0.313 13.030 -8.887
74 HD1 PHE 10 HD1 PHE 10 1.431 13.289 -10.923
75 HD2 PHE 10 HD2 PHE 10 0.124 9.620 -9.207
76 HE1 PHE 10 HE1 PHE 10 1.993 12.116 -13.012
77 HE2 PHE 10 HE2 PHE 10 0.685 8.441 -11.292
78 HZ PHE 10 HZ PHE 10 1.621 9.689 -13.198
79 HA PRO 11 HA PRO 11 0.371 16.845 -8.533
80 HB2 PRO 11 2HB PRO 11 -0.923 17.630 -6.280
81 HB3 PRO 11 3HB PRO 11 -1.721 16.749 -7.588
82 HG2 PRO 11 2HG PRO 11 -0.645 15.719 -4.992
83 HG3 PRO 11 3HG PRO 11 -2.169 15.323 -5.807
84 HD2 PRO 11 2HD PRO 11 0.004 13.711 -5.917
85 HD3 PRO 11 3HD PRO 11 -1.155 13.844 -7.255
86 H SER 12 H SER 12 1.768 15.658 -5.542
87 HA SER 12 HA SER 12 2.911 18.211 -4.830
88 HB2 SER 12 2HB SER 12 2.624 15.584 -3.587
89 HB3 SER 12 3HB SER 12 4.214 16.295 -3.308
90 HG SER 12 HG SER 12 1.826 17.756 -2.913
91 H SER 13 H SER 13 3.763 15.577 -6.819
92 HA SER 13 HA SER 13 6.544 15.545 -6.635
93 HB2 SER 13 2HB SER 13 4.646 14.275 -8.200
94 HB3 SER 13 3HB SER 13 5.570 15.215 -9.371
95 HG SER 13 HG SER 13 7.177 13.893 -9.117
96 HA PRO 14 HA PRO 14 6.572 18.918 -10.118
97 HB2 PRO 14 2HB PRO 14 4.258 20.286 -10.495
98 HB3 PRO 14 3HB PRO 14 4.653 18.806 -11.377
99 HG2 PRO 14 2HG PRO 14 2.901 19.170 -8.977
100 HG3 PRO 14 3HG PRO 14 2.627 18.181 -10.423
101 HD2 PRO 14 2HD PRO 14 3.496 17.132 -8.082
102 HD3 PRO 14 3HD PRO 14 3.970 16.470 -9.659
103 H ALA 15 H ALA 15 4.750 19.308 -7.170
104 HA ALA 15 HA ALA 15 5.310 22.124 -6.909
105 HB1 ALA 15 1HB ALA 15 4.419 20.431 -4.618
106 HB2 ALA 15 2HB ALA 15 3.983 22.090 -5.028
107 HB3 ALA 15 3HB ALA 15 3.309 20.748 -5.951
108 H ILE 16 H ILE 16 6.521 19.113 -5.494
109 HA ILE 16 HA ILE 16 8.366 20.422 -3.742
110 HB ILE 16 HB ILE 16 7.423 18.126 -3.354
111 HG12 ILE 16 2HG1 ILE 16 9.597 17.184 -2.519
112 HG13 ILE 16 3HG1 ILE 16 10.426 18.487 -3.363
113 HG21 ILE 16 1HG2 ILE 16 9.425 17.340 -5.469
114 HG22 ILE 16 2HG2 ILE 16 8.484 16.234 -4.470
115 HG23 ILE 16 3HG2 ILE 16 7.670 17.279 -5.634
116 HD11 ILE 16 3HD1 ILE 16 9.846 18.668 -0.819
117 HD12 ILE 16 1HD1 ILE 16 9.731 20.073 -1.878
118 HD13 ILE 16 2HD1 ILE 16 8.276 19.181 -1.435
119 H LEU 17 H LEU 17 8.512 19.062 -6.973
120 HA LEU 17 HA LEU 17 11.366 19.212 -7.184
121 HB2 LEU 17 2HB LEU 17 9.769 17.699 -8.487
122 HB3 LEU 17 3HB LEU 17 9.438 19.113 -9.484
123 HG LEU 17 HG LEU 17 12.133 19.050 -9.622
124 HD11 LEU 17 1HD1 LEU 17 12.329 16.424 -10.200
125 HD12 LEU 17 2HD1 LEU 17 11.245 16.365 -8.811
126 HD13 LEU 17 3HD1 LEU 17 12.824 17.136 -8.663
127 HD21 LEU 17 3HD2 LEU 17 10.561 17.280 -11.446
128 HD22 LEU 17 1HD2 LEU 17 11.842 18.431 -11.827
129 HD23 LEU 17 2HD2 LEU 17 10.233 19.013 -11.397
130 H GLY 18 H GLY 18 8.669 21.314 -7.945
131 HA2 GLY 18 2HA GLY 18 10.295 23.181 -9.438
132 HA3 GLY 18 3HA GLY 18 8.608 23.388 -8.991
133 H LYS 19 H LYS 19 9.213 22.809 -6.144
134 HA LYS 19 HA LYS 19 9.863 25.511 -5.386
135 HB2 LYS 19 2HB LYS 19 8.987 23.050 -3.906
136 HB3 LYS 19 3HB LYS 19 9.589 24.449 -3.026
137 HG2 LYS 19 2HG LYS 19 7.829 25.817 -3.802
138 HG3 LYS 19 3HG LYS 19 7.343 24.627 -5.012
139 HD2 LYS 19 2HD LYS 19 6.345 23.251 -3.450
140 HD3 LYS 19 3HD LYS 19 7.323 23.877 -2.121
141 HE2 LYS 19 2HE LYS 19 5.926 25.613 -1.736
142 HE3 LYS 19 3HE LYS 19 5.540 25.820 -3.444
143 HZ1 LYS 19 3HZ LYS 19 3.907 24.727 -1.569
144 HZ2 LYS 19 1HZ LYS 19 4.527 23.367 -2.362
145 HZ3 LYS 19 2HZ LYS 19 3.727 24.569 -3.243
146 H ALA 20 H ALA 20 11.440 22.394 -5.375
147 HA ALA 20 HA ALA 20 13.556 23.042 -3.609
148 HB1 ALA 20 1HB ALA 20 12.909 20.734 -4.231
149 HB2 ALA 20 2HB ALA 20 13.579 21.014 -5.839
150 HB3 ALA 20 3HB ALA 20 14.633 21.051 -4.426
151 H ALA 21 H ALA 21 13.116 23.401 -7.083
152 HA ALA 21 HA ALA 21 15.806 24.126 -7.658
153 HB1 ALA 21 1HB ALA 21 13.351 24.817 -9.262
154 HB2 ALA 21 2HB ALA 21 15.016 24.719 -9.836
155 HB3 ALA 21 3HB ALA 21 14.170 23.257 -9.329
156 H THR 22 H THR 22 12.880 25.949 -6.897
157 HA THR 22 HA THR 22 14.153 28.503 -7.294
158 HB THR 22 HB THR 22 11.513 27.887 -5.953
159 HG1 THR 22 HG1 THR 22 12.205 28.439 -8.656
160 HG21 THR 22 3HG2 THR 22 12.997 30.347 -6.446
161 HG22 THR 22 1HG2 THR 22 11.602 30.059 -5.406
162 HG23 THR 22 2HG2 THR 22 11.369 30.381 -7.124
163 H ASP 23 H ASP 23 13.737 26.273 -4.691
164 HA ASP 23 HA ASP 23 14.151 28.156 -2.572
165 HB2 ASP 23 2HB ASP 23 14.047 25.168 -2.770
166 HB3 ASP 23 3HB ASP 23 14.683 25.918 -1.309
167 H VAL 24 H VAL 24 16.189 25.949 -4.416
168 HA VAL 24 HA VAL 24 18.533 26.344 -2.851
169 HB VAL 24 HB VAL 24 18.263 25.380 -5.702
170 HG11 VAL 24 1HG1 VAL 24 20.589 25.645 -3.861
171 HG12 VAL 24 2HG1 VAL 24 20.527 24.269 -4.965
172 HG13 VAL 24 3HG1 VAL 24 20.490 25.914 -5.601
173 HG21 VAL 24 3HG2 VAL 24 18.959 23.449 -3.630
174 HG22 VAL 24 1HG2 VAL 24 17.364 24.168 -3.409
175 HG23 VAL 24 2HG2 VAL 24 17.759 23.345 -4.918
176 H VAL 25 H VAL 25 17.171 27.916 -5.682
177 HA VAL 25 HA VAL 25 19.472 29.452 -6.336
178 HB VAL 25 HB VAL 25 16.569 29.975 -6.994
179 HG11 VAL 25 1HG1 VAL 25 17.453 31.998 -7.517
180 HG12 VAL 25 2HG1 VAL 25 19.088 31.361 -7.705
181 HG13 VAL 25 3HG1 VAL 25 17.901 31.140 -8.991
182 HG21 VAL 25 3HG2 VAL 25 18.137 27.870 -7.807
183 HG22 VAL 25 1HG2 VAL 25 16.722 28.489 -8.659
184 HG23 VAL 25 2HG2 VAL 25 18.335 29.034 -9.117
185 H ALA 26 H ALA 26 16.671 29.992 -4.274
186 HA ALA 26 HA ALA 26 17.351 32.740 -3.737
187 HB1 ALA 26 1HB ALA 26 15.558 31.753 -1.781
188 HB2 ALA 26 2HB ALA 26 15.215 32.810 -3.150
189 HB3 ALA 26 3HB ALA 26 15.092 31.061 -3.335
190 H ALA 27 H ALA 27 17.859 29.623 -2.220
191 HA ALA 27 HA ALA 27 18.844 30.738 0.247
192 HB1 ALA 27 1HB ALA 27 19.411 28.404 0.803
193 HB2 ALA 27 2HB ALA 27 17.734 28.591 0.288
194 HB3 ALA 27 3HB ALA 27 18.928 27.920 -0.823
195 H TRP 28 H TRP 28 20.144 30.004 -2.837
196 HA TRP 28 HA TRP 28 22.801 29.401 -2.199
197 HB2 TRP 28 2HB TRP 28 21.298 29.973 -4.550
198 HB3 TRP 28 3HB TRP 28 22.745 30.978 -4.578
199 HD1 TRP 28 HD1 TRP 28 22.381 27.308 -3.365
200 HE1 TRP 28 HE1 TRP 28 24.074 25.875 -4.671
201 HE3 TRP 28 HE3 TRP 28 24.265 30.905 -6.472
202 HZ2 TRP 28 HZ2 TRP 28 25.958 26.223 -6.744
203 HZ3 TRP 28 HZ3 TRP 28 26.010 30.272 -8.087
204 HH2 TRP 28 HH2 TRP 28 26.838 27.979 -8.218
205 H LYS 29 H LYS 29 21.055 32.365 -2.031
206 HA LYS 29 HA LYS 29 23.229 34.170 -2.220
207 HB2 LYS 29 2HB LYS 29 21.721 35.826 -1.341
208 HB3 LYS 29 3HB LYS 29 20.830 34.803 -2.460
209 HG2 LYS 29 2HG LYS 29 19.323 34.875 -0.772
210 HG3 LYS 29 3HG LYS 29 20.272 33.490 -0.225
211 HD2 LYS 29 2HD LYS 29 20.675 34.573 1.675
212 HD3 LYS 29 3HD LYS 29 21.572 35.785 0.757
213 HE2 LYS 29 2HE LYS 29 19.106 36.668 0.284
214 HE3 LYS 29 3HE LYS 29 18.802 35.859 1.820
215 HZ1 LYS 29 3HZ LYS 29 21.151 37.359 2.068
216 HZ2 LYS 29 1HZ LYS 29 19.673 37.590 2.859
217 HZ3 LYS 29 2HZ LYS 29 19.973 38.362 1.385
218 H SER 30 H SER 30 21.851 32.318 0.414
219 HA SER 30 HA SER 30 23.044 33.660 2.568
220 HB2 SER 30 2HB SER 30 21.272 31.690 2.457
221 HB3 SER 30 3HB SER 30 22.710 30.693 2.679
222 HG SER 30 HG SER 30 21.656 31.366 4.657
Start of MODEL 19
1 H1 VAL 1 H VAL 1 2.211 -1.033 0.461
2 HA VAL 1 HA VAL 1 2.845 -0.673 -1.796
3 HB VAL 1 HB VAL 1 0.083 0.529 -1.690
4 HG11 VAL 1 1HG1 VAL 1 0.475 -1.387 -3.756
5 HG12 VAL 1 2HG1 VAL 1 0.155 0.342 -3.900
6 HG13 VAL 1 3HG1 VAL 1 1.816 -0.242 -3.792
7 HG21 VAL 1 3HG2 VAL 1 -0.380 -2.103 -2.064
8 HG22 VAL 1 1HG2 VAL 1 1.004 -2.175 -0.973
9 HG23 VAL 1 2HG2 VAL 1 -0.454 -1.307 -0.492
10 H LYS 2 H LYS 2 3.473 0.740 -3.399
11 HA LYS 2 HA LYS 2 3.985 3.446 -2.551
12 HB2 LYS 2 2HB LYS 2 5.390 3.623 -4.434
13 HB3 LYS 2 3HB LYS 2 5.569 1.959 -3.893
14 HG2 LYS 2 2HG LYS 2 5.313 1.569 -6.105
15 HG3 LYS 2 3HG LYS 2 3.607 1.592 -5.650
16 HD2 LYS 2 2HD LYS 2 3.520 3.052 -7.394
17 HD3 LYS 2 3HD LYS 2 3.929 4.194 -6.112
18 HE2 LYS 2 2HE LYS 2 6.245 4.140 -6.719
19 HE3 LYS 2 3HE LYS 2 5.968 2.823 -7.857
20 HZ1 LYS 2 3HZ LYS 2 5.176 4.218 -9.415
21 HZ2 LYS 2 1HZ LYS 2 6.069 5.379 -8.568
22 HZ3 LYS 2 2HZ LYS 2 4.406 5.230 -8.300
23 H GLY 3 H GLY 3 1.577 1.832 -4.377
24 HA2 GLY 3 2HA GLY 3 0.795 3.932 -6.107
25 HA3 GLY 3 3HA GLY 3 -0.209 2.576 -5.615
26 H ARG 4 H ARG 4 -0.088 3.127 -2.793
27 HA ARG 4 HA ARG 4 -2.266 4.925 -2.595
28 HB2 ARG 4 2HB ARG 4 -0.501 3.976 -0.336
29 HB3 ARG 4 3HB ARG 4 -2.162 4.541 -0.226
30 HG2 ARG 4 2HG ARG 4 -1.300 2.056 -1.689
31 HG3 ARG 4 3HG ARG 4 -1.932 2.088 -0.042
32 HD2 ARG 4 2HD ARG 4 -3.427 3.187 -2.413
33 HD3 ARG 4 3HD ARG 4 -3.601 1.527 -1.844
34 HE ARG 4 HE ARG 4 -4.705 3.891 -0.649
35 HH11 ARG 4 1HH1 ARG 4 -3.640 0.629 -0.060
36 HH12 ARG 4 2HH1 ARG 4 -4.636 0.418 1.341
37 HH21 ARG 4 1HH2 ARG 4 -6.021 3.625 1.195
38 HH22 ARG 4 2HH2 ARG 4 -5.991 2.123 2.054
39 H ILE 5 H ILE 5 1.184 5.226 -1.904
40 HA ILE 5 HA ILE 5 0.882 7.950 -0.965
41 HB ILE 5 HB ILE 5 2.576 6.416 0.020
42 HG12 ILE 5 2HG1 ILE 5 4.426 8.392 -0.934
43 HG13 ILE 5 3HG1 ILE 5 2.847 9.138 -0.718
44 HG21 ILE 5 1HG2 ILE 5 4.587 5.872 -1.181
45 HG22 ILE 5 2HG2 ILE 5 3.198 5.315 -2.112
46 HG23 ILE 5 3HG2 ILE 5 4.043 6.788 -2.586
47 HD11 ILE 5 3HD1 ILE 5 3.466 9.390 1.403
48 HD12 ILE 5 1HD1 ILE 5 3.117 7.669 1.570
49 HD13 ILE 5 2HD1 ILE 5 4.767 8.208 1.260
50 H ASP 6 H ASP 6 1.448 6.331 -3.928
51 HA ASP 6 HA ASP 6 2.905 8.361 -5.277
52 HB2 ASP 6 2HB ASP 6 2.948 6.149 -6.187
53 HB3 ASP 6 3HB ASP 6 1.190 6.086 -6.278
54 H ALA 7 H ALA 7 -0.519 7.715 -4.816
55 HA ALA 7 HA ALA 7 -1.570 9.479 -6.713
56 HB1 ALA 7 1HB ALA 7 -3.449 9.585 -4.789
57 HB2 ALA 7 2HB ALA 7 -3.260 8.227 -5.899
58 HB3 ALA 7 3HB ALA 7 -2.566 8.146 -4.280
59 HA PRO 8 HA PRO 8 -1.660 12.838 -3.232
60 HB2 PRO 8 2HB PRO 8 -0.203 12.340 -0.996
61 HB3 PRO 8 3HB PRO 8 -1.898 11.864 -1.164
62 HG2 PRO 8 2HG PRO 8 0.576 10.215 -1.512
63 HG3 PRO 8 3HG PRO 8 -0.941 9.797 -0.695
64 HD2 PRO 8 2HD PRO 8 -0.355 8.953 -3.200
65 HD3 PRO 8 3HD PRO 8 -2.015 9.298 -2.672
66 H ASP 9 H ASP 9 1.281 10.973 -3.705
67 HA ASP 9 HA ASP 9 3.018 13.254 -3.410
68 HB2 ASP 9 2HB ASP 9 3.468 10.404 -4.287
69 HB3 ASP 9 3HB ASP 9 4.751 11.611 -4.316
70 H PHE 10 H PHE 10 1.130 11.912 -5.904
71 HA PHE 10 HA PHE 10 2.626 12.489 -8.185
72 HB2 PHE 10 2HB PHE 10 0.042 11.577 -7.637
73 HB3 PHE 10 3HB PHE 10 -0.193 13.048 -8.576
74 HD1 PHE 10 HD1 PHE 10 2.158 10.145 -8.663
75 HD2 PHE 10 HD2 PHE 10 -0.498 12.685 -10.810
76 HE1 PHE 10 HE1 PHE 10 2.641 8.898 -10.728
77 HE2 PHE 10 HE2 PHE 10 -0.020 11.441 -12.879
78 HZ PHE 10 HZ PHE 10 1.550 9.544 -12.839
79 HA PRO 11 HA PRO 11 0.524 16.851 -8.205
80 HB2 PRO 11 2HB PRO 11 -0.673 17.642 -5.901
81 HB3 PRO 11 3HB PRO 11 -1.530 16.772 -7.179
82 HG2 PRO 11 2HG PRO 11 -0.361 15.725 -4.629
83 HG3 PRO 11 3HG PRO 11 -1.920 15.344 -5.385
84 HD2 PRO 11 2HD PRO 11 0.233 13.714 -5.585
85 HD3 PRO 11 3HD PRO 11 -0.977 13.860 -6.876
86 H SER 12 H SER 12 2.027 15.643 -5.275
87 HA SER 12 HA SER 12 3.220 18.184 -4.602
88 HB2 SER 12 2HB SER 12 2.950 15.562 -3.351
89 HB3 SER 12 3HB SER 12 4.563 16.242 -3.142
90 HG SER 12 HG SER 12 2.215 16.976 -1.991
91 H SER 13 H SER 13 3.969 15.548 -6.630
92 HA SER 13 HA SER 13 6.755 15.490 -6.555
93 HB2 SER 13 2HB SER 13 4.728 14.333 -8.128
94 HB3 SER 13 3HB SER 13 5.804 15.153 -9.259
95 HG SER 13 HG SER 13 6.637 13.131 -8.934
96 HA PRO 14 HA PRO 14 6.677 18.872 -10.028
97 HB2 PRO 14 2HB PRO 14 4.363 20.263 -10.310
98 HB3 PRO 14 3HB PRO 14 4.709 18.782 -11.211
99 HG2 PRO 14 2HG PRO 14 3.056 19.155 -8.743
100 HG3 PRO 14 3HG PRO 14 2.717 18.172 -10.179
101 HD2 PRO 14 2HD PRO 14 3.667 17.109 -7.877
102 HD3 PRO 14 3HD PRO 14 4.073 16.447 -9.473
103 H ALA 15 H ALA 15 4.976 19.270 -7.010
104 HA ALA 15 HA ALA 15 5.572 22.081 -6.764
105 HB1 ALA 15 1HB ALA 15 3.799 21.874 -5.434
106 HB2 ALA 15 2HB ALA 15 3.983 20.123 -5.334
107 HB3 ALA 15 3HB ALA 15 4.891 21.169 -4.242
108 H ILE 16 H ILE 16 6.810 19.055 -5.406
109 HA ILE 16 HA ILE 16 8.735 20.342 -3.724
110 HB ILE 16 HB ILE 16 7.787 18.053 -3.306
111 HG12 ILE 16 2HG1 ILE 16 10.090 17.068 -2.694
112 HG13 ILE 16 3HG1 ILE 16 10.757 18.548 -3.374
113 HG21 ILE 16 1HG2 ILE 16 8.784 16.155 -4.467
114 HG22 ILE 16 2HG2 ILE 16 7.936 17.211 -5.595
115 HG23 ILE 16 3HG2 ILE 16 9.696 17.255 -5.500
116 HD11 ILE 16 3HD1 ILE 16 10.447 19.542 -1.430
117 HD12 ILE 16 1HD1 ILE 16 8.707 19.312 -1.604
118 HD13 ILE 16 2HD1 ILE 16 9.680 18.091 -0.783
119 H LEU 17 H LEU 17 8.741 18.990 -6.962
120 HA LEU 17 HA LEU 17 11.585 19.114 -7.285
121 HB2 LEU 17 2HB LEU 17 10.305 17.526 -8.564
122 HB3 LEU 17 3HB LEU 17 9.341 18.819 -9.274
123 HG LEU 17 HG LEU 17 11.875 19.515 -10.033
124 HD11 LEU 17 1HD1 LEU 17 11.770 16.573 -10.537
125 HD12 LEU 17 2HD1 LEU 17 12.502 17.194 -9.059
126 HD13 LEU 17 3HD1 LEU 17 13.140 17.679 -10.629
127 HD21 LEU 17 3HD2 LEU 17 11.095 18.163 -12.187
128 HD22 LEU 17 1HD2 LEU 17 10.335 19.677 -11.695
129 HD23 LEU 17 2HD2 LEU 17 9.573 18.137 -11.294
130 H GLY 18 H GLY 18 8.881 21.245 -7.933
131 HA2 GLY 18 2HA GLY 18 10.466 23.102 -9.483
132 HA3 GLY 18 3HA GLY 18 8.800 23.323 -8.970
133 H LYS 19 H LYS 19 9.508 22.728 -6.151
134 HA LYS 19 HA LYS 19 10.214 25.421 -5.410
135 HB2 LYS 19 2HB LYS 19 9.391 22.963 -3.889
136 HB3 LYS 19 3HB LYS 19 10.006 24.379 -3.046
137 HG2 LYS 19 2HG LYS 19 8.220 25.736 -3.929
138 HG3 LYS 19 3HG LYS 19 7.638 24.386 -4.906
139 HD2 LYS 19 2HD LYS 19 6.260 24.569 -2.945
140 HD3 LYS 19 3HD LYS 19 7.245 23.111 -2.808
141 HE2 LYS 19 2HE LYS 19 8.759 24.213 -1.301
142 HE3 LYS 19 3HE LYS 19 7.945 25.758 -1.545
143 HZ1 LYS 19 3HZ LYS 19 6.681 25.243 0.183
144 HZ2 LYS 19 1HZ LYS 19 7.317 23.677 0.275
145 HZ3 LYS 19 2HZ LYS 19 5.991 23.994 -0.725
146 H ALA 20 H ALA 20 11.760 22.291 -5.476
147 HA ALA 20 HA ALA 20 13.946 22.903 -3.785
148 HB1 ALA 20 1HB ALA 20 15.001 20.989 -5.287
149 HB2 ALA 20 2HB ALA 20 13.783 20.649 -4.057
150 HB3 ALA 20 3HB ALA 20 13.313 20.775 -5.753
151 H ALA 21 H ALA 21 13.436 23.198 -7.269
152 HA ALA 21 HA ALA 21 16.100 23.966 -7.890
153 HB1 ALA 21 1HB ALA 21 15.278 23.487 -9.897
154 HB2 ALA 21 2HB ALA 21 13.618 23.592 -9.309
155 HB3 ALA 21 3HB ALA 21 14.452 25.045 -9.860
156 H THR 22 H THR 22 13.173 25.742 -7.065
157 HA THR 22 HA THR 22 14.367 28.317 -7.565
158 HB THR 22 HB THR 22 11.784 27.610 -6.158
159 HG1 THR 22 HG1 THR 22 10.898 28.313 -8.205
160 HG21 THR 22 3HG2 THR 22 13.147 30.175 -6.717
161 HG22 THR 22 1HG2 THR 22 12.014 29.750 -5.435
162 HG23 THR 22 2HG2 THR 22 11.417 30.117 -7.053
163 H ASP 23 H ASP 23 14.137 26.123 -4.914
164 HA ASP 23 HA ASP 23 14.615 28.074 -2.859
165 HB2 ASP 23 2HB ASP 23 14.451 25.089 -2.970
166 HB3 ASP 23 3HB ASP 23 15.199 25.851 -1.569
167 H VAL 24 H VAL 24 16.560 25.791 -4.711
168 HA VAL 24 HA VAL 24 18.965 26.134 -3.266
169 HB VAL 24 HB VAL 24 18.553 25.297 -6.139
170 HG11 VAL 24 1HG1 VAL 24 20.985 25.422 -4.405
171 HG12 VAL 24 2HG1 VAL 24 20.849 24.186 -5.657
172 HG13 VAL 24 3HG1 VAL 24 20.788 25.894 -6.093
173 HG21 VAL 24 3HG2 VAL 24 19.366 23.304 -4.159
174 HG22 VAL 24 1HG2 VAL 24 17.767 23.991 -3.871
175 HG23 VAL 24 2HG2 VAL 24 18.131 23.218 -5.414
176 H VAL 25 H VAL 25 17.610 27.764 -6.094
177 HA VAL 25 HA VAL 25 19.897 29.351 -6.650
178 HB VAL 25 HB VAL 25 18.295 30.771 -7.963
179 HG11 VAL 25 1HG1 VAL 25 17.644 28.058 -8.863
180 HG12 VAL 25 2HG1 VAL 25 18.505 29.355 -9.693
181 HG13 VAL 25 3HG1 VAL 25 19.355 28.330 -8.536
182 HG21 VAL 25 3HG2 VAL 25 16.006 30.054 -8.217
183 HG22 VAL 25 1HG2 VAL 25 16.272 28.699 -7.120
184 HG23 VAL 25 2HG2 VAL 25 16.330 30.353 -6.510
185 H ALA 26 H ALA 26 17.135 29.731 -4.540
186 HA ALA 26 HA ALA 26 17.655 32.513 -3.991
187 HB1 ALA 26 1HB ALA 26 15.493 32.351 -3.488
188 HB2 ALA 26 2HB ALA 26 15.573 30.592 -3.384
189 HB3 ALA 26 3HB ALA 26 15.993 31.578 -1.984
190 H ALA 27 H ALA 27 18.376 29.414 -2.509
191 HA ALA 27 HA ALA 27 19.192 30.299 0.018
192 HB1 ALA 27 1HB ALA 27 19.759 27.888 -1.636
193 HB2 ALA 27 2HB ALA 27 20.716 28.172 -0.181
194 HB3 ALA 27 3HB ALA 27 18.962 28.020 -0.068
195 H TRP 28 H TRP 28 20.664 30.657 -3.056
196 HA TRP 28 HA TRP 28 23.373 30.785 -2.369
197 HB2 TRP 28 2HB TRP 28 21.985 31.017 -4.691
198 HB3 TRP 28 3HB TRP 28 22.449 32.696 -4.424
199 HD1 TRP 28 HD1 TRP 28 25.123 33.219 -4.350
200 HE1 TRP 28 HE1 TRP 28 27.093 31.997 -5.466
201 HE3 TRP 28 HE3 TRP 28 22.830 28.771 -5.396
202 HZ2 TRP 28 HZ2 TRP 28 27.608 29.480 -6.636
203 HZ3 TRP 28 HZ3 TRP 28 24.131 27.008 -6.516
204 HH2 TRP 28 HH2 TRP 28 26.471 27.357 -7.122
205 H LYS 29 H LYS 29 20.778 33.010 -1.832
206 HA LYS 29 HA LYS 29 22.283 35.375 -1.488
207 HB2 LYS 29 2HB LYS 29 20.324 36.319 -0.549
208 HB3 LYS 29 3HB LYS 29 19.769 35.180 -1.768
209 HG2 LYS 29 2HG LYS 29 19.697 33.546 0.309
210 HG3 LYS 29 3HG LYS 29 19.531 35.069 1.186
211 HD2 LYS 29 2HD LYS 29 17.831 34.667 -1.215
212 HD3 LYS 29 3HD LYS 29 17.432 33.741 0.234
213 HE2 LYS 29 2HE LYS 29 16.445 35.528 1.105
214 HE3 LYS 29 3HE LYS 29 17.966 36.416 1.020
215 HZ1 LYS 29 3HZ LYS 29 15.636 36.812 -0.486
216 HZ2 LYS 29 1HZ LYS 29 16.867 36.340 -1.546
217 HZ3 LYS 29 2HZ LYS 29 17.084 37.685 -0.544
218 H SER 30 H SER 30 21.522 32.698 0.635
219 HA SER 30 HA SER 30 22.267 33.925 3.071
220 HB2 SER 30 2HB SER 30 20.926 31.900 3.069
221 HB3 SER 30 3HB SER 30 22.221 31.005 2.274
222 HG SER 30 HG SER 30 21.849 31.417 4.879
Start of MODEL 20
1 H1 VAL 1 H VAL 1 1.383 -1.556 -3.012
2 HA VAL 1 HA VAL 1 0.579 0.027 -1.566
3 HB VAL 1 HB VAL 1 3.342 -0.097 -0.365
4 HG11 VAL 1 1HG1 VAL 1 2.311 1.363 1.006
5 HG12 VAL 1 2HG1 VAL 1 0.696 0.854 0.507
6 HG13 VAL 1 3HG1 VAL 1 1.594 -0.094 1.693
7 HG21 VAL 1 3HG2 VAL 1 2.006 -1.965 1.014
8 HG22 VAL 1 1HG2 VAL 1 1.237 -2.164 -0.560
9 HG23 VAL 1 2HG2 VAL 1 2.986 -2.335 -0.404
10 H LYS 2 H LYS 2 3.048 0.809 -3.648
11 HA LYS 2 HA LYS 2 3.549 3.494 -2.729
12 HB2 LYS 2 2HB LYS 2 5.007 3.701 -4.568
13 HB3 LYS 2 3HB LYS 2 5.163 2.026 -4.056
14 HG2 LYS 2 2HG LYS 2 4.968 1.682 -6.281
15 HG3 LYS 2 3HG LYS 2 3.250 1.705 -5.875
16 HD2 LYS 2 2HD LYS 2 3.220 3.200 -7.591
17 HD3 LYS 2 3HD LYS 2 3.597 4.314 -6.275
18 HE2 LYS 2 2HE LYS 2 6.068 3.347 -7.062
19 HE3 LYS 2 3HE LYS 2 5.190 3.540 -8.578
20 HZ1 LYS 2 3HZ LYS 2 6.489 5.527 -7.690
21 HZ2 LYS 2 1HZ LYS 2 5.242 5.694 -6.559
22 HZ3 LYS 2 2HZ LYS 2 4.904 5.803 -8.212
23 H GLY 3 H GLY 3 1.184 1.931 -4.652
24 HA2 GLY 3 2HA GLY 3 0.462 4.069 -6.362
25 HA3 GLY 3 3HA GLY 3 -0.563 2.710 -5.925
26 H ARG 4 H ARG 4 -0.518 3.205 -3.091
27 HA ARG 4 HA ARG 4 -2.691 5.011 -2.918
28 HB2 ARG 4 2HB ARG 4 -0.974 3.904 -0.688
29 HB3 ARG 4 3HB ARG 4 -2.560 4.639 -0.504
30 HG2 ARG 4 2HG ARG 4 -2.027 2.138 -2.090
31 HG3 ARG 4 3HG ARG 4 -2.572 2.163 -0.412
32 HD2 ARG 4 2HD ARG 4 -4.320 3.864 -1.748
33 HD3 ARG 4 3HD ARG 4 -4.082 2.513 -2.855
34 HE ARG 4 HE ARG 4 -5.551 2.481 -0.421
35 HH11 ARG 4 1HH1 ARG 4 -3.520 0.531 -2.469
36 HH12 ARG 4 2HH1 ARG 4 -4.205 -0.970 -1.940
37 HH21 ARG 4 1HH2 ARG 4 -6.461 0.512 0.283
38 HH22 ARG 4 2HH2 ARG 4 -5.879 -0.980 -0.375
39 H ILE 5 H ILE 5 0.740 5.279 -2.126
40 HA ILE 5 HA ILE 5 0.427 7.986 -1.143
41 HB ILE 5 HB ILE 5 2.084 6.431 -0.136
42 HG12 ILE 5 2HG1 ILE 5 3.929 8.452 -1.097
43 HG13 ILE 5 3HG1 ILE 5 2.353 9.150 -0.740
44 HG21 ILE 5 1HG2 ILE 5 4.083 5.822 -1.275
45 HG22 ILE 5 2HG2 ILE 5 2.731 5.387 -2.320
46 HG23 ILE 5 3HG2 ILE 5 3.676 6.838 -2.658
47 HD11 ILE 5 3HD1 ILE 5 4.428 8.313 1.051
48 HD12 ILE 5 1HD1 ILE 5 2.957 9.227 1.384
49 HD13 ILE 5 2HD1 ILE 5 2.925 7.463 1.408
50 H ASP 6 H ASP 6 1.067 6.421 -4.120
51 HA ASP 6 HA ASP 6 2.572 8.467 -5.388
52 HB2 ASP 6 2HB ASP 6 2.643 6.292 -6.357
53 HB3 ASP 6 3HB ASP 6 0.886 6.206 -6.460
54 H ALA 7 H ALA 7 -0.867 7.835 -5.034
55 HA ALA 7 HA ALA 7 -1.854 9.643 -6.924
56 HB1 ALA 7 1HB ALA 7 -2.912 8.042 -4.803
57 HB2 ALA 7 2HB ALA 7 -3.642 9.647 -4.752
58 HB3 ALA 7 3HB ALA 7 -3.730 8.685 -6.228
59 HA PRO 8 HA PRO 8 -2.022 12.933 -3.381
60 HB2 PRO 8 2HB PRO 8 -0.632 12.381 -1.115
61 HB3 PRO 8 3HB PRO 8 -2.323 11.920 -1.341
62 HG2 PRO 8 2HG PRO 8 0.150 10.261 -1.652
63 HG3 PRO 8 3HG PRO 8 -1.393 9.838 -0.886
64 HD2 PRO 8 2HD PRO 8 -0.742 9.039 -3.390
65 HD3 PRO 8 3HD PRO 8 -2.414 9.385 -2.902
66 H ASP 9 H ASP 9 0.919 11.059 -3.813
67 HA ASP 9 HA ASP 9 2.661 13.322 -3.423
68 HB2 ASP 9 2HB ASP 9 3.119 10.487 -4.343
69 HB3 ASP 9 3HB ASP 9 4.409 11.685 -4.312
70 H PHE 10 H PHE 10 0.836 12.041 -5.994
71 HA PHE 10 HA PHE 10 2.399 12.652 -8.221
72 HB2 PHE 10 2HB PHE 10 -0.213 11.756 -7.759
73 HB3 PHE 10 3HB PHE 10 -0.398 13.236 -8.694
74 HD1 PHE 10 HD1 PHE 10 1.505 13.357 -10.663
75 HD2 PHE 10 HD2 PHE 10 -0.219 9.840 -8.998
76 HE1 PHE 10 HE1 PHE 10 2.042 12.123 -12.723
77 HE2 PHE 10 HE2 PHE 10 0.316 8.600 -11.055
78 HZ PHE 10 HZ PHE 10 1.449 9.741 -12.921
79 HA PRO 11 HA PRO 11 0.320 17.026 -8.211
80 HB2 PRO 11 2HB PRO 11 -0.927 17.780 -5.920
81 HB3 PRO 11 3HB PRO 11 -1.758 16.940 -7.234
82 HG2 PRO 11 2HG PRO 11 -0.655 15.837 -4.679
83 HG3 PRO 11 3HG PRO 11 -2.198 15.481 -5.478
84 HD2 PRO 11 2HD PRO 11 -0.050 13.841 -5.658
85 HD3 PRO 11 3HD PRO 11 -1.229 14.019 -6.974
86 H SER 12 H SER 12 1.756 15.748 -5.279
87 HA SER 12 HA SER 12 2.944 18.270 -4.525
88 HB2 SER 12 2HB SER 12 2.809 15.537 -3.387
89 HB3 SER 12 3HB SER 12 4.246 16.475 -2.983
90 HG SER 12 HG SER 12 1.880 16.652 -1.878
91 H SER 13 H SER 13 3.735 15.645 -6.564
92 HA SER 13 HA SER 13 6.510 15.567 -6.437
93 HB2 SER 13 2HB SER 13 4.506 14.491 -8.103
94 HB3 SER 13 3HB SER 13 5.638 15.318 -9.174
95 HG SER 13 HG SER 13 6.642 13.453 -8.940
96 HA PRO 14 HA PRO 14 6.554 19.053 -9.809
97 HB2 PRO 14 2HB PRO 14 4.268 20.490 -10.088
98 HB3 PRO 14 3HB PRO 14 4.608 19.033 -11.029
99 HG2 PRO 14 2HG PRO 14 2.916 19.356 -8.580
100 HG3 PRO 14 3HG PRO 14 2.586 18.424 -10.053
101 HD2 PRO 14 2HD PRO 14 3.477 17.274 -7.769
102 HD3 PRO 14 3HD PRO 14 3.901 16.656 -9.378
103 H ALA 15 H ALA 15 4.897 19.335 -6.774
104 HA ALA 15 HA ALA 15 5.460 22.144 -6.432
105 HB1 ALA 15 1HB ALA 15 3.978 22.038 -4.771
106 HB2 ALA 15 2HB ALA 15 3.661 20.386 -5.301
107 HB3 ALA 15 3HB ALA 15 4.814 20.689 -4.002
108 H ILE 16 H ILE 16 6.744 19.082 -5.201
109 HA ILE 16 HA ILE 16 8.694 20.338 -3.519
110 HB ILE 16 HB ILE 16 9.600 18.102 -3.183
111 HG12 ILE 16 2HG1 ILE 16 7.656 17.289 -5.353
112 HG13 ILE 16 3HG1 ILE 16 9.413 17.235 -5.449
113 HG21 ILE 16 1HG2 ILE 16 7.596 17.026 -2.257
114 HG22 ILE 16 2HG2 ILE 16 7.656 18.748 -1.884
115 HG23 ILE 16 3HG2 ILE 16 6.586 18.158 -3.156
116 HD11 ILE 16 3HD1 ILE 16 8.902 15.720 -3.234
117 HD12 ILE 16 1HD1 ILE 16 7.538 15.337 -4.284
118 HD13 ILE 16 2HD1 ILE 16 9.189 15.102 -4.860
119 H LEU 17 H LEU 17 8.649 19.019 -6.774
120 HA LEU 17 HA LEU 17 11.489 19.185 -7.140
121 HB2 LEU 17 2HB LEU 17 9.595 17.783 -8.382
122 HB3 LEU 17 3HB LEU 17 9.651 19.169 -9.469
123 HG LEU 17 HG LEU 17 11.039 17.329 -10.275
124 HD11 LEU 17 1HD1 LEU 17 12.663 18.693 -11.048
125 HD12 LEU 17 2HD1 LEU 17 13.087 19.285 -9.442
126 HD13 LEU 17 3HD1 LEU 17 11.674 19.932 -10.276
127 HD21 LEU 17 3HD2 LEU 17 11.831 17.205 -7.527
128 HD22 LEU 17 1HD2 LEU 17 13.253 17.436 -8.545
129 HD23 LEU 17 2HD2 LEU 17 12.171 16.074 -8.838
130 H GLY 18 H GLY 18 8.750 21.284 -7.682
131 HA2 GLY 18 2HA GLY 18 10.244 23.155 -9.304
132 HA3 GLY 18 3HA GLY 18 8.601 23.361 -8.715
133 H LYS 19 H LYS 19 9.403 22.793 -5.933
134 HA LYS 19 HA LYS 19 10.166 25.485 -5.238
135 HB2 LYS 19 2HB LYS 19 9.588 24.927 -3.018
136 HB3 LYS 19 3HB LYS 19 8.428 24.072 -4.027
137 HG2 LYS 19 2HG LYS 19 8.960 22.376 -2.637
138 HG3 LYS 19 3HG LYS 19 10.265 22.154 -3.805
139 HD2 LYS 19 2HD LYS 19 11.743 22.438 -2.170
140 HD3 LYS 19 3HD LYS 19 11.144 24.082 -1.936
141 HE2 LYS 19 2HE LYS 19 10.960 23.037 0.166
142 HE3 LYS 19 3HE LYS 19 9.325 23.058 -0.494
143 HZ1 LYS 19 3HZ LYS 19 10.453 20.889 0.532
144 HZ2 LYS 19 1HZ LYS 19 10.912 20.696 -1.085
145 HZ3 LYS 19 2HZ LYS 19 9.275 20.828 -0.681
146 H ALA 20 H ALA 20 11.650 22.324 -5.300
147 HA ALA 20 HA ALA 20 13.895 22.937 -3.679
148 HB1 ALA 20 1HB ALA 20 13.247 20.779 -5.640
149 HB2 ALA 20 2HB ALA 20 14.890 20.941 -5.019
150 HB3 ALA 20 3HB ALA 20 13.550 20.667 -3.906
151 H ALA 21 H ALA 21 13.194 23.319 -7.094
152 HA ALA 21 HA ALA 21 15.870 23.895 -7.893
153 HB1 ALA 21 1HB ALA 21 14.302 23.097 -9.527
154 HB2 ALA 21 2HB ALA 21 13.230 24.467 -9.231
155 HB3 ALA 21 3HB ALA 21 14.807 24.726 -9.978
156 H THR 22 H THR 22 13.089 25.865 -6.957
157 HA THR 22 HA THR 22 14.468 28.347 -7.452
158 HB THR 22 HB THR 22 12.027 28.211 -7.716
159 HG1 THR 22 HG1 THR 22 12.576 29.926 -5.523
160 HG21 THR 22 3HG2 THR 22 11.720 26.604 -5.786
161 HG22 THR 22 1HG2 THR 22 10.542 27.912 -5.887
162 HG23 THR 22 2HG2 THR 22 11.857 27.999 -4.715
163 H ASP 23 H ASP 23 14.097 26.153 -4.816
164 HA ASP 23 HA ASP 23 14.696 28.018 -2.729
165 HB2 ASP 23 2HB ASP 23 14.437 25.047 -2.930
166 HB3 ASP 23 3HB ASP 23 15.255 25.729 -1.527
167 H VAL 24 H VAL 24 16.558 25.753 -4.685
168 HA VAL 24 HA VAL 24 18.999 26.090 -3.251
169 HB VAL 24 HB VAL 24 18.539 25.087 -6.063
170 HG11 VAL 24 1HG1 VAL 24 20.968 25.453 -4.432
171 HG12 VAL 24 2HG1 VAL 24 20.824 23.909 -5.273
172 HG13 VAL 24 3HG1 VAL 24 20.770 25.419 -6.183
173 HG21 VAL 24 3HG2 VAL 24 17.811 23.943 -3.633
174 HG22 VAL 24 1HG2 VAL 24 17.931 23.130 -5.193
175 HG23 VAL 24 2HG2 VAL 24 19.304 23.121 -4.087
176 H VAL 25 H VAL 25 17.523 27.655 -6.028
177 HA VAL 25 HA VAL 25 19.826 29.108 -6.843
178 HB VAL 25 HB VAL 25 16.907 29.710 -7.340
179 HG11 VAL 25 1HG1 VAL 25 17.759 31.684 -8.014
180 HG12 VAL 25 2HG1 VAL 25 19.400 31.049 -8.150
181 HG13 VAL 25 3HG1 VAL 25 18.234 30.767 -9.443
182 HG21 VAL 25 3HG2 VAL 25 18.496 28.688 -9.554
183 HG22 VAL 25 1HG2 VAL 25 18.381 27.552 -8.210
184 HG23 VAL 25 2HG2 VAL 25 16.914 28.176 -8.965
185 H ALA 26 H ALA 26 17.166 29.773 -4.636
186 HA ALA 26 HA ALA 26 17.964 32.505 -4.188
187 HB1 ALA 26 1HB ALA 26 15.982 30.777 -2.710
188 HB2 ALA 26 2HB ALA 26 16.195 32.514 -2.491
189 HB3 ALA 26 3HB ALA 26 15.618 31.885 -4.034
190 H ALA 27 H ALA 27 18.453 29.398 -2.644
191 HA ALA 27 HA ALA 27 19.384 30.264 -0.150
192 HB1 ALA 27 1HB ALA 27 18.806 27.944 -0.598
193 HB2 ALA 27 2HB ALA 27 20.174 27.801 -1.702
194 HB3 ALA 27 3HB ALA 27 20.453 28.067 0.018
195 H TRP 28 H TRP 28 20.820 30.446 -3.256
196 HA TRP 28 HA TRP 28 23.545 30.373 -2.619
197 HB2 TRP 28 2HB TRP 28 22.761 30.312 -4.925
198 HB3 TRP 28 3HB TRP 28 22.117 31.944 -4.775
199 HD1 TRP 28 HD1 TRP 28 25.643 30.592 -3.857
200 HE1 TRP 28 HE1 TRP 28 27.384 32.053 -5.065
201 HE3 TRP 28 HE3 TRP 28 22.475 33.655 -6.449
202 HZ2 TRP 28 HZ2 TRP 28 27.411 34.217 -6.877
203 HZ3 TRP 28 HZ3 TRP 28 23.439 35.395 -7.898
204 HH2 TRP 28 HH2 TRP 28 25.856 35.669 -8.105
205 H LYS 29 H LYS 29 21.142 32.813 -2.097
206 HA LYS 29 HA LYS 29 22.946 35.000 -1.740
207 HB2 LYS 29 2HB LYS 29 21.058 36.251 -1.046
208 HB3 LYS 29 3HB LYS 29 20.475 35.159 -2.296
209 HG2 LYS 29 2HG LYS 29 19.946 33.633 -0.199
210 HG3 LYS 29 3HG LYS 29 19.902 35.200 0.612
211 HD2 LYS 29 2HD LYS 29 18.449 35.011 -1.954
212 HD3 LYS 29 3HD LYS 29 17.772 34.099 -0.603
213 HE2 LYS 29 2HE LYS 29 17.750 36.133 0.755
214 HE3 LYS 29 3HE LYS 29 18.438 37.043 -0.589
215 HZ1 LYS 29 3HZ LYS 29 15.807 36.795 -0.091
216 HZ2 LYS 29 1HZ LYS 29 16.039 35.583 -1.248
217 HZ3 LYS 29 2HZ LYS 29 16.464 37.182 -1.601
218 H SER 30 H SER 30 21.579 32.538 0.337
219 HA SER 30 HA SER 30 22.154 33.702 2.827
220 HB2 SER 30 2HB SER 30 20.703 31.833 2.842
221 HB3 SER 30 3HB SER 30 21.841 30.839 1.933
222 HG SER 30 HG SER 30 22.358 30.160 3.863