Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614442 | 5ua8 RC | 30219 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -11.390 -7.632 -13.749
2 H2 GLY 1 2HT GLY 1 -12.839 -7.775 -12.873
3 H3 GLY 1 3HT GLY 1 -11.416 -7.273 -12.091
4 HA2 GLY 1 2HA GLY 1 -11.735 -5.497 -14.166
5 HA3 GLY 1 1HA GLY 1 -13.351 -5.721 -13.478
6 H VAL 2 H VAL 2 -13.581 -3.848 -12.336
7 HA VAL 2 HA VAL 2 -11.535 -2.605 -10.817
8 HB VAL 2 HB VAL 2 -14.509 -2.340 -10.355
9 HG11 VAL 2 1HG1 VAL 2 -13.936 -0.141 -9.555
10 HG12 VAL 2 2HG1 VAL 2 -12.271 -0.312 -10.111
11 HG13 VAL 2 3HG1 VAL 2 -12.852 -1.280 -8.755
12 HG21 VAL 2 1HG2 VAL 2 -14.100 -2.094 -12.745
13 HG22 VAL 2 2HG2 VAL 2 -12.729 -1.029 -12.434
14 HG23 VAL 2 3HG2 VAL 2 -14.365 -0.496 -12.048
15 H VAL 3 H VAL 3 -14.011 -4.989 -10.037
16 HA VAL 3 HA VAL 3 -13.884 -4.932 -7.250
17 HB VAL 3 HB VAL 3 -14.309 -7.294 -9.095
18 HG11 VAL 3 1HG1 VAL 3 -13.760 -8.160 -6.929
19 HG12 VAL 3 2HG1 VAL 3 -15.520 -8.200 -7.044
20 HG13 VAL 3 3HG1 VAL 3 -14.725 -6.926 -6.120
21 HG21 VAL 3 1HG2 VAL 3 -15.919 -5.437 -9.383
22 HG22 VAL 3 2HG2 VAL 3 -16.249 -5.458 -7.651
23 HG23 VAL 3 3HG2 VAL 3 -16.695 -6.841 -8.651
24 H ASP 4 H ASP 4 -12.033 -7.006 -9.492
25 HA ASP 4 HA ASP 4 -10.423 -8.223 -7.535
26 HB2 ASP 4 2HB ASP 4 -9.300 -9.189 -9.299
27 HB3 ASP 4 1HB ASP 4 -10.761 -8.672 -10.133
28 H ILE 5 H ILE 5 -9.764 -5.427 -9.632
29 HA ILE 5 HA ILE 5 -7.212 -4.793 -8.761
30 HB ILE 5 HB ILE 5 -9.413 -2.873 -9.511
31 HG12 ILE 5 2HG1 ILE 5 -8.417 -4.965 -11.016
32 HG13 ILE 5 1HG1 ILE 5 -9.157 -3.501 -11.669
33 HG21 ILE 5 1HG2 ILE 5 -6.405 -2.616 -9.417
34 HG22 ILE 5 2HG2 ILE 5 -7.591 -1.675 -8.514
35 HG23 ILE 5 3HG2 ILE 5 -7.454 -1.474 -10.260
36 HD11 ILE 5 1HD1 ILE 5 -7.014 -2.450 -11.935
37 HD12 ILE 5 2HD1 ILE 5 -6.901 -4.064 -12.635
38 HD13 ILE 5 3HD1 ILE 5 -6.209 -3.744 -11.046
39 H LEU 6 H LEU 6 -10.289 -4.261 -7.163
40 HA LEU 6 HA LEU 6 -9.515 -2.305 -5.313
41 HB2 LEU 6 2HB LEU 6 -11.595 -2.605 -4.448
42 HB3 LEU 6 1HB LEU 6 -11.835 -3.635 -5.860
43 HG LEU 6 HG LEU 6 -10.933 -5.561 -4.405
44 HD11 LEU 6 1HD1 LEU 6 -10.684 -3.376 -2.539
45 HD12 LEU 6 2HD1 LEU 6 -10.234 -5.065 -2.319
46 HD13 LEU 6 3HD1 LEU 6 -11.862 -4.529 -1.912
47 HD21 LEU 6 1HD2 LEU 6 -13.158 -5.900 -3.367
48 HD22 LEU 6 2HD2 LEU 6 -13.304 -5.313 -5.023
49 HD23 LEU 6 3HD2 LEU 6 -13.549 -4.208 -3.672
50 H LYS 7 H LYS 7 -8.898 -5.738 -5.431
51 HA LYS 7 HA LYS 7 -8.138 -6.107 -2.724
52 HB2 LYS 7 2HB LYS 7 -7.490 -8.235 -3.388
53 HB3 LYS 7 1HB LYS 7 -8.631 -7.806 -4.658
54 HG2 LYS 7 2HG LYS 7 -6.541 -6.881 -5.909
55 HG3 LYS 7 1HG LYS 7 -5.629 -7.894 -4.790
56 HD2 LYS 7 2HD LYS 7 -6.921 -9.859 -5.506
57 HD3 LYS 7 1HD LYS 7 -7.871 -8.843 -6.594
58 HE2 LYS 7 2HE LYS 7 -5.909 -10.127 -7.646
59 HE3 LYS 7 1HE LYS 7 -5.996 -8.400 -7.988
60 HZ1 LYS 7 1HZ LYS 7 -4.280 -7.937 -6.539
61 HZ2 LYS 7 2HZ LYS 7 -3.774 -9.406 -7.226
62 HZ3 LYS 7 3HZ LYS 7 -4.463 -9.383 -5.673
63 H GLY 8 H GLY 8 -6.362 -5.235 -5.633
64 HA2 GLY 8 2HA GLY 8 -3.763 -5.257 -4.521
65 HA3 GLY 8 1HA GLY 8 -4.254 -4.367 -5.966
66 H ALA 9 H ALA 9 -6.363 -2.939 -4.398
67 HA ALA 9 HA ALA 9 -4.918 -0.609 -3.768
68 HB1 ALA 9 1HB ALA 9 -6.981 0.299 -3.030
69 HB2 ALA 9 2HB ALA 9 -7.627 -1.293 -2.632
70 HB3 ALA 9 3HB ALA 9 -7.405 -0.829 -4.319
71 H ALA 10 H ALA 10 -6.466 -2.986 -1.598
72 HA ALA 10 HA ALA 10 -5.677 -1.873 0.832
73 HB1 ALA 10 1HB ALA 10 -7.269 -3.751 0.630
74 HB2 ALA 10 2HB ALA 10 -5.979 -4.115 1.776
75 HB3 ALA 10 3HB ALA 10 -5.944 -4.813 0.157
76 H LYS 11 H LYS 11 -3.905 -3.900 -1.428
77 HA LYS 11 HA LYS 11 -1.678 -4.367 0.318
78 HB2 LYS 11 2HB LYS 11 -2.482 -5.645 -1.860
79 HB3 LYS 11 1HB LYS 11 -1.415 -4.494 -2.663
80 HG2 LYS 11 2HG LYS 11 0.100 -6.192 -2.206
81 HG3 LYS 11 1HG LYS 11 0.271 -5.223 -0.735
82 HD2 LYS 11 2HD LYS 11 -1.604 -6.705 0.239
83 HD3 LYS 11 1HD LYS 11 -1.292 -7.782 -1.123
84 HE2 LYS 11 2HE LYS 11 0.098 -8.625 0.592
85 HE3 LYS 11 1HE LYS 11 1.190 -7.655 -0.397
86 HZ1 LYS 11 1HZ LYS 11 1.354 -7.265 2.046
87 HZ2 LYS 11 2HZ LYS 11 -0.212 -6.607 1.997
88 HZ3 LYS 11 3HZ LYS 11 1.050 -5.870 1.130
89 H ASP 12 H ASP 12 -2.473 -2.011 -2.184
90 HA ASP 12 HA ASP 12 0.118 -0.807 -2.280
91 HB2 ASP 12 2HB ASP 12 -1.456 -0.589 -4.140
92 HB3 ASP 12 1HB ASP 12 -2.589 0.280 -3.096
93 H ILE 13 H ILE 13 -2.971 0.268 -0.830
94 HA ILE 13 HA ILE 13 -1.949 2.543 0.458
95 HB ILE 13 HB ILE 13 -4.322 0.767 1.006
96 HG12 ILE 13 2HG1 ILE 13 -5.381 3.122 0.473
97 HG13 ILE 13 1HG1 ILE 13 -3.803 3.465 -0.242
98 HG21 ILE 13 1HG2 ILE 13 -5.004 2.702 2.577
99 HG22 ILE 13 2HG2 ILE 13 -3.290 3.117 2.600
100 HG23 ILE 13 3HG2 ILE 13 -3.824 1.544 3.190
101 HD11 ILE 13 1HD1 ILE 13 -4.013 1.502 -1.696
102 HD12 ILE 13 2HD1 ILE 13 -5.406 2.560 -1.911
103 HD13 ILE 13 3HD1 ILE 13 -5.556 1.090 -0.949
104 H ALA 14 H ALA 14 -2.391 -0.777 1.668
105 HA ALA 14 HA ALA 14 -1.314 -0.270 4.250
106 HB1 ALA 14 1HB ALA 14 -1.234 -2.689 4.484
107 HB2 ALA 14 2HB ALA 14 -1.411 -2.894 2.742
108 HB3 ALA 14 3HB ALA 14 -2.742 -2.233 3.692
109 H GLY 15 H GLY 15 0.086 -1.622 1.273
110 HA2 GLY 15 2HA GLY 15 2.665 -2.131 2.277
111 HA3 GLY 15 1HA GLY 15 2.268 -1.849 0.578
112 H HIS 16 H HIS 16 1.094 0.816 1.291
113 HA HIS 16 HA HIS 16 3.331 2.424 0.754
114 HB2 HIS 16 2HB HIS 16 0.802 2.917 0.455
115 HB3 HIS 16 1HB HIS 16 0.897 3.487 2.115
116 HD2 HIS 16 2HD HIS 16 0.709 5.457 -0.765
117 HE1 HIS 16 1HE HIS 16 4.359 6.891 0.796
118 HE2 HIS 16 2HE HIS 16 2.480 7.374 -0.842
119 H LEU 17 H LEU 17 1.738 1.562 3.778
120 HA LEU 17 HA LEU 17 2.942 3.347 5.527
121 HB2 LEU 17 2HB LEU 17 1.184 1.781 6.218
122 HB3 LEU 17 1HB LEU 17 2.292 0.424 5.999
123 HG LEU 17 HG LEU 17 3.779 1.352 7.739
124 HD11 LEU 17 1HD1 LEU 17 2.595 3.232 9.158
125 HD12 LEU 17 2HD1 LEU 17 1.764 3.581 7.642
126 HD13 LEU 17 3HD1 LEU 17 3.524 3.672 7.725
127 HD21 LEU 17 1HD2 LEU 17 0.863 1.053 8.517
128 HD22 LEU 17 2HD2 LEU 17 2.195 1.060 9.673
129 HD23 LEU 17 3HD2 LEU 17 2.083 -0.220 8.465
130 H ALA 18 H ALA 18 4.166 0.257 4.289
131 HA ALA 18 HA ALA 18 6.545 0.173 5.800
132 HB1 ALA 18 1HB ALA 18 7.287 -1.497 4.253
133 HB2 ALA 18 2HB ALA 18 6.190 -0.912 3.002
134 HB3 ALA 18 3HB ALA 18 5.546 -1.711 4.436
135 H SER 19 H SER 19 5.835 1.534 2.598
136 HA SER 19 HA SER 19 8.446 2.333 1.938
137 HB2 SER 19 2HB SER 19 6.629 2.306 0.297
138 HB3 SER 19 1HB SER 19 5.804 3.596 1.167
139 HG SER 19 HG SER 19 7.942 3.693 -0.549
140 H LYS 20 H LYS 20 5.922 3.907 3.837
141 HA LYS 20 HA LYS 20 7.051 6.454 4.068
142 HB2 LYS 20 2HB LYS 20 4.792 5.262 5.016
143 HB3 LYS 20 1HB LYS 20 5.751 5.405 6.491
144 HG2 LYS 20 2HG LYS 20 4.618 7.459 6.426
145 HG3 LYS 20 1HG LYS 20 6.176 7.856 5.703
146 HD2 LYS 20 2HD LYS 20 4.763 8.780 4.115
147 HD3 LYS 20 1HD LYS 20 4.923 7.152 3.456
148 HE2 LYS 20 2HE LYS 20 2.854 6.527 4.793
149 HE3 LYS 20 1HE LYS 20 2.651 8.245 5.133
150 HZ1 LYS 20 1HZ LYS 20 1.470 8.166 3.236
151 HZ2 LYS 20 2HZ LYS 20 2.267 6.785 2.651
152 HZ3 LYS 20 3HZ LYS 20 2.994 8.314 2.507
153 H VAL 21 H VAL 21 7.683 3.481 5.848
154 HA VAL 21 HA VAL 21 9.370 4.651 7.823
155 HB VAL 21 HB VAL 21 9.270 1.801 6.803
156 HG11 VAL 21 1HG1 VAL 21 10.238 1.321 9.078
157 HG12 VAL 21 2HG1 VAL 21 10.470 3.057 9.287
158 HG13 VAL 21 3HG1 VAL 21 11.333 2.199 8.011
159 HG21 VAL 21 1HG2 VAL 21 7.108 2.400 7.653
160 HG22 VAL 21 2HG2 VAL 21 7.814 3.275 9.011
161 HG23 VAL 21 3HG2 VAL 21 7.917 1.516 8.946
162 H MET 22 H MET 22 9.907 3.317 4.610
163 HA MET 22 HA MET 22 12.712 3.129 4.694
164 HB2 MET 22 2HB MET 22 10.839 2.470 2.863
165 HB3 MET 22 1HB MET 22 11.448 3.952 2.131
166 HG2 MET 22 2HG MET 22 12.796 2.170 1.261
167 HG3 MET 22 1HG MET 22 13.793 3.008 2.458
168 HE1 MET 22 1HE MET 22 14.119 0.239 1.165
169 HE2 MET 22 2HE MET 22 14.458 -0.942 2.427
170 HE3 MET 22 3HE MET 22 15.325 0.591 2.410
171 H ASN 23 H ASN 23 10.595 5.790 3.628
172 HA ASN 23 HA ASN 23 12.631 7.571 2.877
173 HB2 ASN 23 2HB ASN 23 10.928 9.048 2.515
174 HB3 ASN 23 1HB ASN 23 9.952 7.588 2.665
175 HD21 ASN 23 1HD2 ASN 23 11.329 10.192 4.762
176 HD22 ASN 23 2HD2 ASN 23 9.998 10.239 5.814
177 H LYS 24 H LYS 24 11.243 6.774 5.989
178 HA LYS 24 HA LYS 24 12.374 9.008 7.389
179 HB2 LYS 24 2HB LYS 24 10.346 7.588 8.070
180 HB3 LYS 24 1HB LYS 24 11.534 6.428 8.644
181 HG2 LYS 24 2HG LYS 24 11.528 7.612 10.582
182 HG3 LYS 24 1HG LYS 24 12.488 8.799 9.703
183 HD2 LYS 24 2HD LYS 24 9.456 8.800 9.808
184 HD3 LYS 24 1HD LYS 24 10.487 9.790 10.839
185 HE2 LYS 24 2HE LYS 24 11.528 10.727 8.725
186 HE3 LYS 24 1HE LYS 24 10.255 9.905 7.823
187 HZ1 LYS 24 1HZ LYS 24 10.095 12.380 8.997
188 HZ2 LYS 24 2HZ LYS 24 9.194 11.366 10.020
189 HZ3 LYS 24 3HZ LYS 24 8.807 11.473 8.369
190 H LEU 25 H LEU 25 13.109 5.519 7.405
191 HA LEU 25 HA LEU 25 15.957 6.091 7.598
192 HB2 LEU 25 2HB LEU 25 16.250 4.737 9.644
193 HB3 LEU 25 1HB LEU 25 15.274 6.181 9.944
194 HG LEU 25 HG LEU 25 13.342 4.346 9.232
195 HD11 LEU 25 1HD1 LEU 25 13.829 2.298 10.534
196 HD12 LEU 25 2HD1 LEU 25 15.455 2.897 10.860
197 HD13 LEU 25 3HD1 LEU 25 14.975 2.502 9.210
198 HD21 LEU 25 1HD2 LEU 25 13.104 5.811 11.122
199 HD22 LEU 25 2HD2 LEU 25 14.475 5.070 11.948
200 HD23 LEU 25 3HD2 LEU 25 12.975 4.166 11.744
201 HN1 NH2 26 HN1 NH2 26 13.317 3.970 6.867
202 HN2 NH2 26 HN2 NH2 26 14.262 2.670 6.272
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -11.596 -9.248 -13.133
2 H2 GLY 1 2HT GLY 1 -10.973 -8.730 -14.627
3 H3 GLY 1 3HT GLY 1 -12.277 -7.906 -13.915
4 HA2 GLY 1 2HA GLY 1 -9.482 -8.023 -12.916
5 HA3 GLY 1 1HA GLY 1 -10.311 -6.609 -13.585
6 H VAL 2 H VAL 2 -12.645 -8.243 -11.999
7 HA VAL 2 HA VAL 2 -13.052 -6.386 -9.977
8 HB VAL 2 HB VAL 2 -13.837 -9.294 -9.761
9 HG11 VAL 2 1HG1 VAL 2 -15.709 -8.435 -8.523
10 HG12 VAL 2 2HG1 VAL 2 -15.315 -6.774 -8.967
11 HG13 VAL 2 3HG1 VAL 2 -14.267 -7.663 -7.863
12 HG21 VAL 2 1HG2 VAL 2 -14.958 -7.075 -11.486
13 HG22 VAL 2 2HG2 VAL 2 -15.911 -8.486 -11.029
14 HG23 VAL 2 3HG2 VAL 2 -14.447 -8.685 -11.991
15 H VAL 3 H VAL 3 -11.207 -9.400 -9.916
16 HA VAL 3 HA VAL 3 -10.658 -9.314 -7.107
17 HB VAL 3 HB VAL 3 -9.237 -10.788 -9.338
18 HG11 VAL 3 1HG1 VAL 3 -7.798 -10.661 -7.404
19 HG12 VAL 3 2HG1 VAL 3 -8.522 -12.269 -7.418
20 HG13 VAL 3 3HG1 VAL 3 -9.137 -11.034 -6.320
21 HG21 VAL 3 1HG2 VAL 3 -11.471 -11.570 -7.440
22 HG22 VAL 3 2HG2 VAL 3 -10.596 -12.714 -8.457
23 HG23 VAL 3 3HG2 VAL 3 -11.572 -11.445 -9.196
24 H ASP 4 H ASP 4 -8.890 -8.339 -10.022
25 HA ASP 4 HA ASP 4 -6.495 -7.587 -8.726
26 HB2 ASP 4 2HB ASP 4 -5.808 -6.870 -10.799
27 HB3 ASP 4 1HB ASP 4 -7.160 -7.883 -11.290
28 H ILE 5 H ILE 5 -9.304 -5.678 -9.770
29 HA ILE 5 HA ILE 5 -8.477 -3.151 -8.999
30 HB ILE 5 HB ILE 5 -11.257 -4.296 -8.785
31 HG12 ILE 5 2HG1 ILE 5 -9.649 -4.202 -11.028
32 HG13 ILE 5 1HG1 ILE 5 -11.413 -4.220 -11.040
33 HG21 ILE 5 1HG2 ILE 5 -11.897 -1.896 -9.208
34 HG22 ILE 5 2HG2 ILE 5 -10.204 -1.470 -8.942
35 HG23 ILE 5 3HG2 ILE 5 -11.147 -2.193 -7.640
36 HD11 ILE 5 1HD1 ILE 5 -11.507 -1.823 -11.158
37 HD12 ILE 5 2HD1 ILE 5 -10.367 -2.367 -12.387
38 HD13 ILE 5 3HD1 ILE 5 -9.772 -1.687 -10.874
39 H LEU 6 H LEU 6 -9.587 -5.803 -6.993
40 HA LEU 6 HA LEU 6 -10.224 -4.343 -4.675
41 HB2 LEU 6 2HB LEU 6 -10.591 -6.385 -3.742
42 HB3 LEU 6 1HB LEU 6 -10.407 -6.951 -5.402
43 HG LEU 6 HG LEU 6 -7.886 -7.150 -4.866
44 HD11 LEU 6 1HD1 LEU 6 -8.227 -7.747 -2.094
45 HD12 LEU 6 2HD1 LEU 6 -8.853 -6.121 -2.354
46 HD13 LEU 6 3HD1 LEU 6 -7.199 -6.512 -2.816
47 HD21 LEU 6 1HD2 LEU 6 -8.202 -9.386 -3.947
48 HD22 LEU 6 2HD2 LEU 6 -9.490 -9.058 -5.105
49 HD23 LEU 6 3HD2 LEU 6 -9.814 -8.958 -3.376
50 H LYS 7 H LYS 7 -7.161 -5.354 -6.023
51 HA LYS 7 HA LYS 7 -5.573 -5.073 -3.696
52 HB2 LYS 7 2HB LYS 7 -3.759 -5.376 -5.112
53 HB3 LYS 7 1HB LYS 7 -5.064 -6.092 -6.051
54 HG2 LYS 7 2HG LYS 7 -5.334 -3.706 -7.067
55 HG3 LYS 7 1HG LYS 7 -3.700 -3.445 -6.458
56 HD2 LYS 7 2HD LYS 7 -2.936 -5.448 -7.695
57 HD3 LYS 7 1HD LYS 7 -4.575 -5.676 -8.311
58 HE2 LYS 7 2HE LYS 7 -4.486 -3.507 -9.441
59 HE3 LYS 7 1HE LYS 7 -2.884 -3.200 -8.770
60 HZ1 LYS 7 1HZ LYS 7 -2.172 -4.126 -10.660
61 HZ2 LYS 7 2HZ LYS 7 -3.665 -4.866 -10.992
62 HZ3 LYS 7 3HZ LYS 7 -2.565 -5.604 -9.927
63 H GLY 8 H GLY 8 -6.493 -2.828 -6.244
64 HA2 GLY 8 2HA GLY 8 -4.920 -0.631 -5.634
65 HA3 GLY 8 1HA GLY 8 -6.555 -0.520 -6.295
66 H ALA 9 H ALA 9 -7.717 -1.881 -3.936
67 HA ALA 9 HA ALA 9 -8.186 0.456 -2.345
68 HB1 ALA 9 1HB ALA 9 -8.969 -2.368 -1.624
69 HB2 ALA 9 2HB ALA 9 -9.840 -1.428 -2.837
70 HB3 ALA 9 3HB ALA 9 -9.769 -0.864 -1.167
71 H ALA 10 H ALA 10 -6.694 -2.710 -1.637
72 HA ALA 10 HA ALA 10 -5.856 -2.012 0.979
73 HB1 ALA 10 1HB ALA 10 -6.105 -4.354 -0.026
74 HB2 ALA 10 2HB ALA 10 -4.690 -4.073 0.989
75 HB3 ALA 10 3HB ALA 10 -4.528 -4.081 -0.767
76 H LYS 11 H LYS 11 -4.251 -1.933 -2.177
77 HA LYS 11 HA LYS 11 -1.653 -1.370 -1.433
78 HB2 LYS 11 2HB LYS 11 -2.859 -1.574 -3.802
79 HB3 LYS 11 1HB LYS 11 -2.814 0.185 -3.706
80 HG2 LYS 11 2HG LYS 11 -0.756 -0.234 -4.704
81 HG3 LYS 11 1HG LYS 11 -0.290 -0.236 -2.998
82 HD2 LYS 11 2HD LYS 11 -0.753 -2.769 -3.054
83 HD3 LYS 11 1HD LYS 11 -0.766 -2.611 -4.810
84 HE2 LYS 11 2HE LYS 11 1.477 -3.177 -4.270
85 HE3 LYS 11 1HE LYS 11 1.507 -1.437 -4.556
86 HZ1 LYS 11 1HZ LYS 11 1.984 -1.018 -2.429
87 HZ2 LYS 11 2HZ LYS 11 2.448 -2.650 -2.346
88 HZ3 LYS 11 3HZ LYS 11 0.897 -2.177 -1.838
89 H ASP 12 H ASP 12 -4.431 0.800 -1.553
90 HA ASP 12 HA ASP 12 -3.118 3.251 -1.247
91 HB2 ASP 12 2HB ASP 12 -5.519 3.053 -1.745
92 HB3 ASP 12 1HB ASP 12 -5.802 2.416 -0.120
93 H ILE 13 H ILE 13 -4.239 0.941 1.213
94 HA ILE 13 HA ILE 13 -3.326 2.555 3.412
95 HB ILE 13 HB ILE 13 -4.177 -0.344 3.256
96 HG12 ILE 13 2HG1 ILE 13 -6.056 0.911 4.734
97 HG13 ILE 13 1HG1 ILE 13 -5.546 2.276 3.736
98 HG21 ILE 13 1HG2 ILE 13 -2.753 -0.187 5.158
99 HG22 ILE 13 2HG2 ILE 13 -4.389 -0.011 5.792
100 HG23 ILE 13 3HG2 ILE 13 -3.367 1.410 5.582
101 HD11 ILE 13 1HD1 ILE 13 -5.960 0.954 1.701
102 HD12 ILE 13 2HD1 ILE 13 -7.416 1.038 2.690
103 HD13 ILE 13 3HD1 ILE 13 -6.439 -0.428 2.684
104 H ALA 14 H ALA 14 -2.180 -0.462 1.895
105 HA ALA 14 HA ALA 14 0.083 -0.882 3.459
106 HB1 ALA 14 1HB ALA 14 -0.217 -1.429 0.495
107 HB2 ALA 14 2HB ALA 14 -0.768 -2.494 1.789
108 HB3 ALA 14 3HB ALA 14 0.956 -2.181 1.578
109 H GLY 15 H GLY 15 -0.268 1.062 0.503
110 HA2 GLY 15 2HA GLY 15 2.383 1.820 0.126
111 HA3 GLY 15 1HA GLY 15 0.987 2.810 -0.320
112 H HIS 16 H HIS 16 -0.058 3.152 2.316
113 HA HIS 16 HA HIS 16 1.417 5.416 3.153
114 HB2 HIS 16 2HB HIS 16 -1.083 4.862 3.502
115 HB3 HIS 16 1HB HIS 16 -0.520 3.977 4.912
116 HD2 HIS 16 2HD HIS 16 -2.096 7.127 4.808
117 HE1 HIS 16 1HE HIS 16 1.432 8.153 6.887
118 HE2 HIS 16 2HE HIS 16 -0.923 8.908 6.316
119 H LEU 17 H LEU 17 1.040 2.184 4.592
120 HA LEU 17 HA LEU 17 2.701 2.605 6.822
121 HB2 LEU 17 2HB LEU 17 1.116 0.654 6.402
122 HB3 LEU 17 1HB LEU 17 2.380 -0.027 5.373
123 HG LEU 17 HG LEU 17 3.919 0.428 7.477
124 HD11 LEU 17 1HD1 LEU 17 2.232 1.594 8.812
125 HD12 LEU 17 2HD1 LEU 17 2.642 0.067 9.590
126 HD13 LEU 17 3HD1 LEU 17 1.140 0.216 8.681
127 HD21 LEU 17 1HD2 LEU 17 3.432 -1.793 6.519
128 HD22 LEU 17 2HD2 LEU 17 1.889 -1.829 7.373
129 HD23 LEU 17 3HD2 LEU 17 3.401 -1.856 8.282
130 H ALA 18 H ALA 18 3.422 1.492 3.539
131 HA ALA 18 HA ALA 18 6.073 0.712 3.871
132 HB1 ALA 18 1HB ALA 18 6.343 1.262 1.467
133 HB2 ALA 18 2HB ALA 18 4.785 2.086 1.501
134 HB3 ALA 18 3HB ALA 18 4.869 0.348 1.784
135 H SER 19 H SER 19 4.662 3.885 3.864
136 HA SER 19 HA SER 19 6.818 5.498 3.175
137 HB2 SER 19 2HB SER 19 4.457 6.240 3.705
138 HB3 SER 19 1HB SER 19 4.876 6.106 5.410
139 HG SER 19 HG SER 19 5.183 8.227 4.396
140 H LYS 20 H LYS 20 5.989 4.124 6.350
141 HA LYS 20 HA LYS 20 8.066 5.293 7.822
142 HB2 LYS 20 2HB LYS 20 6.019 3.395 8.277
143 HB3 LYS 20 1HB LYS 20 7.532 2.633 8.777
144 HG2 LYS 20 2HG LYS 20 6.752 3.792 10.705
145 HG3 LYS 20 1HG LYS 20 8.033 4.805 10.044
146 HD2 LYS 20 2HD LYS 20 6.388 6.410 10.338
147 HD3 LYS 20 1HD LYS 20 6.000 5.892 8.699
148 HE2 LYS 20 2HE LYS 20 3.924 5.845 9.850
149 HE3 LYS 20 1HE LYS 20 4.441 4.160 9.798
150 HZ1 LYS 20 1HZ LYS 20 4.782 4.104 12.002
151 HZ2 LYS 20 2HZ LYS 20 3.711 5.422 12.029
152 HZ3 LYS 20 3HZ LYS 20 5.388 5.687 12.071
153 H VAL 21 H VAL 21 7.946 2.201 6.078
154 HA VAL 21 HA VAL 21 10.616 1.441 6.751
155 HB VAL 21 HB VAL 21 8.872 0.510 4.458
156 HG11 VAL 21 1HG1 VAL 21 10.321 -1.540 4.665
157 HG12 VAL 21 2HG1 VAL 21 11.350 -0.637 5.776
158 HG13 VAL 21 3HG1 VAL 21 11.186 -0.111 4.101
159 HG21 VAL 21 1HG2 VAL 21 9.253 -0.591 7.263
160 HG22 VAL 21 2HG2 VAL 21 8.289 -1.343 5.991
161 HG23 VAL 21 3HG2 VAL 21 7.801 0.212 6.666
162 H MET 22 H MET 22 9.147 3.231 4.104
163 HA MET 22 HA MET 22 11.276 3.210 2.284
164 HB2 MET 22 2HB MET 22 8.807 4.233 2.208
165 HB3 MET 22 1HB MET 22 9.679 5.713 2.597
166 HG2 MET 22 2HG MET 22 10.272 3.867 0.261
167 HG3 MET 22 1HG MET 22 9.493 5.453 0.159
168 HE1 MET 22 1HE MET 22 11.548 4.837 -1.601
169 HE2 MET 22 2HE MET 22 13.008 5.812 -1.447
170 HE3 MET 22 3HE MET 22 11.435 6.601 -1.525
171 H ASN 23 H ASN 23 10.535 5.497 4.905
172 HA ASN 23 HA ASN 23 12.750 7.193 4.486
173 HB2 ASN 23 2HB ASN 23 11.890 8.350 6.230
174 HB3 ASN 23 1HB ASN 23 10.546 7.210 6.128
175 HD21 ASN 23 1HD2 ASN 23 13.397 8.107 7.999
176 HD22 ASN 23 2HD2 ASN 23 13.116 7.030 9.280
177 H LYS 24 H LYS 24 12.394 4.142 6.143
178 HA LYS 24 HA LYS 24 14.906 4.308 7.541
179 HB2 LYS 24 2HB LYS 24 12.840 2.927 8.199
180 HB3 LYS 24 1HB LYS 24 13.401 1.788 6.984
181 HG2 LYS 24 2HG LYS 24 14.370 1.035 9.020
182 HG3 LYS 24 1HG LYS 24 15.668 1.847 8.155
183 HD2 LYS 24 2HD LYS 24 14.286 3.822 9.712
184 HD3 LYS 24 1HD LYS 24 14.642 2.449 10.754
185 HE2 LYS 24 2HE LYS 24 17.013 2.520 9.990
186 HE3 LYS 24 1HE LYS 24 16.637 3.961 9.046
187 HZ1 LYS 24 1HZ LYS 24 17.300 3.808 11.747
188 HZ2 LYS 24 2HZ LYS 24 15.677 4.302 11.662
189 HZ3 LYS 24 3HZ LYS 24 16.881 5.187 10.854
190 H LEU 25 H LEU 25 13.716 2.315 4.834
191 HA LEU 25 HA LEU 25 16.305 2.490 3.525
192 HB2 LEU 25 2HB LEU 25 16.616 0.049 3.403
193 HB3 LEU 25 1HB LEU 25 16.660 0.625 5.075
194 HG LEU 25 HG LEU 25 13.972 0.113 4.742
195 HD11 LEU 25 1HD1 LEU 25 13.826 -2.126 3.691
196 HD12 LEU 25 2HD1 LEU 25 15.522 -2.010 3.224
197 HD13 LEU 25 3HD1 LEU 25 14.339 -0.903 2.530
198 HD21 LEU 25 1HD2 LEU 25 15.249 -0.581 6.678
199 HD22 LEU 25 2HD2 LEU 25 16.189 -1.717 5.710
200 HD23 LEU 25 3HD2 LEU 25 14.475 -2.015 6.001
201 HN1 NH2 26 HN1 NH2 26 12.956 2.291 3.381
202 HN2 NH2 26 HN2 NH2 26 12.799 1.836 1.737
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -11.595 -9.315 -12.766
2 H2 GLY 1 2HT GLY 1 -11.103 -9.408 -14.390
3 H3 GLY 1 3HT GLY 1 -12.595 -8.701 -13.991
4 HA2 GLY 1 2HA GLY 1 -9.872 -7.630 -13.639
5 HA3 GLY 1 1HA GLY 1 -11.294 -6.851 -14.352
6 H VAL 2 H VAL 2 -13.231 -7.292 -12.483
7 HA VAL 2 HA VAL 2 -12.866 -5.268 -10.617
8 HB VAL 2 HB VAL 2 -14.662 -7.657 -10.179
9 HG11 VAL 2 1HG1 VAL 2 -14.380 -5.844 -8.408
10 HG12 VAL 2 2HG1 VAL 2 -16.030 -6.107 -8.973
11 HG13 VAL 2 3HG1 VAL 2 -15.104 -4.727 -9.565
12 HG21 VAL 2 1HG2 VAL 2 -14.954 -5.285 -12.039
13 HG22 VAL 2 2HG2 VAL 2 -16.332 -6.239 -11.490
14 HG23 VAL 2 3HG2 VAL 2 -15.061 -6.998 -12.448
15 H VAL 3 H VAL 3 -12.124 -8.697 -10.385
16 HA VAL 3 HA VAL 3 -11.682 -8.836 -7.602
17 HB VAL 3 HB VAL 3 -10.327 -10.430 -9.791
18 HG11 VAL 3 1HG1 VAL 3 -9.244 -10.683 -7.610
19 HG12 VAL 3 2HG1 VAL 3 -10.155 -12.144 -7.990
20 HG13 VAL 3 3HG1 VAL 3 -10.807 -10.973 -6.844
21 HG21 VAL 3 1HG2 VAL 3 -12.930 -10.864 -8.290
22 HG22 VAL 3 2HG2 VAL 3 -12.170 -12.061 -9.339
23 HG23 VAL 3 3HG2 VAL 3 -12.757 -10.542 -10.015
24 H ASP 4 H ASP 4 -9.350 -8.407 -10.272
25 HA ASP 4 HA ASP 4 -7.054 -8.088 -8.720
26 HB2 ASP 4 2HB ASP 4 -6.015 -7.496 -10.682
27 HB3 ASP 4 1HB ASP 4 -7.493 -8.179 -11.352
28 H ILE 5 H ILE 5 -9.292 -5.617 -9.946
29 HA ILE 5 HA ILE 5 -8.050 -3.338 -8.983
30 HB ILE 5 HB ILE 5 -11.013 -3.889 -9.082
31 HG12 ILE 5 2HG1 ILE 5 -9.199 -4.057 -11.160
32 HG13 ILE 5 1HG1 ILE 5 -10.921 -3.713 -11.335
33 HG21 ILE 5 1HG2 ILE 5 -11.107 -1.396 -9.436
34 HG22 ILE 5 2HG2 ILE 5 -9.398 -1.337 -8.999
35 HG23 ILE 5 3HG2 ILE 5 -10.590 -1.890 -7.824
36 HD11 ILE 5 1HD1 ILE 5 -8.828 -1.577 -10.892
37 HD12 ILE 5 2HD1 ILE 5 -10.520 -1.344 -11.336
38 HD13 ILE 5 3HD1 ILE 5 -9.399 -2.071 -12.485
39 H LEU 6 H LEU 6 -9.841 -5.777 -7.228
40 HA LEU 6 HA LEU 6 -10.430 -4.320 -4.900
41 HB2 LEU 6 2HB LEU 6 -11.203 -6.306 -4.097
42 HB3 LEU 6 1HB LEU 6 -10.989 -6.823 -5.769
43 HG LEU 6 HG LEU 6 -8.585 -7.475 -5.067
44 HD11 LEU 6 1HD1 LEU 6 -7.971 -7.081 -2.935
45 HD12 LEU 6 2HD1 LEU 6 -9.260 -8.140 -2.370
46 HD13 LEU 6 3HD1 LEU 6 -9.562 -6.416 -2.577
47 HD21 LEU 6 1HD2 LEU 6 -9.340 -9.668 -4.342
48 HD22 LEU 6 2HD2 LEU 6 -10.481 -9.056 -5.539
49 HD23 LEU 6 3HD2 LEU 6 -10.890 -9.006 -3.825
50 H LYS 7 H LYS 7 -7.469 -5.787 -6.033
51 HA LYS 7 HA LYS 7 -6.055 -5.922 -3.604
52 HB2 LYS 7 2HB LYS 7 -4.161 -6.293 -4.921
53 HB3 LYS 7 1HB LYS 7 -5.477 -6.809 -5.972
54 HG2 LYS 7 2HG LYS 7 -5.451 -4.368 -6.853
55 HG3 LYS 7 1HG LYS 7 -3.848 -4.284 -6.123
56 HD2 LYS 7 2HD LYS 7 -3.162 -6.265 -7.429
57 HD3 LYS 7 1HD LYS 7 -4.770 -6.331 -8.156
58 HE2 LYS 7 2HE LYS 7 -4.450 -4.161 -9.195
59 HE3 LYS 7 1HE LYS 7 -2.915 -3.941 -8.355
60 HZ1 LYS 7 1HZ LYS 7 -3.544 -5.991 -10.407
61 HZ2 LYS 7 2HZ LYS 7 -2.100 -5.947 -9.511
62 HZ3 LYS 7 3HZ LYS 7 -2.485 -4.677 -10.572
63 H GLY 8 H GLY 8 -6.338 -3.346 -5.997
64 HA2 GLY 8 2HA GLY 8 -4.560 -1.470 -5.086
65 HA3 GLY 8 1HA GLY 8 -6.138 -1.049 -5.762
66 H ALA 9 H ALA 9 -7.263 -2.714 -3.390
67 HA ALA 9 HA ALA 9 -7.874 -0.504 -1.721
68 HB1 ALA 9 1HB ALA 9 -8.136 -3.440 -1.042
69 HB2 ALA 9 2HB ALA 9 -9.304 -2.543 -2.014
70 HB3 ALA 9 3HB ALA 9 -9.031 -2.098 -0.328
71 H ALA 10 H ALA 10 -5.835 -3.379 -1.144
72 HA ALA 10 HA ALA 10 -4.900 -2.561 1.392
73 HB1 ALA 10 1HB ALA 10 -3.659 -4.413 -0.654
74 HB2 ALA 10 2HB ALA 10 -4.715 -4.876 0.679
75 HB3 ALA 10 3HB ALA 10 -3.102 -4.243 1.011
76 H LYS 11 H LYS 11 -3.748 -1.963 -1.881
77 HA LYS 11 HA LYS 11 -1.211 -0.929 -1.290
78 HB2 LYS 11 2HB LYS 11 -2.196 -1.469 -3.580
79 HB3 LYS 11 1HB LYS 11 -2.994 0.102 -3.496
80 HG2 LYS 11 2HG LYS 11 -0.773 1.175 -3.121
81 HG3 LYS 11 1HG LYS 11 -0.007 -0.405 -3.332
82 HD2 LYS 11 2HD LYS 11 -1.861 0.699 -5.441
83 HD3 LYS 11 1HD LYS 11 -0.165 1.177 -5.396
84 HE2 LYS 11 2HE LYS 11 0.444 -1.271 -5.409
85 HE3 LYS 11 1HE LYS 11 -1.260 -1.634 -5.680
86 HZ1 LYS 11 1HZ LYS 11 -1.153 -0.187 -7.662
87 HZ2 LYS 11 2HZ LYS 11 -0.150 -1.554 -7.774
88 HZ3 LYS 11 3HZ LYS 11 0.520 -0.032 -7.431
89 H ASP 12 H ASP 12 -4.398 0.586 -1.246
90 HA ASP 12 HA ASP 12 -3.627 3.266 -1.018
91 HB2 ASP 12 2HB ASP 12 -5.944 2.663 -1.381
92 HB3 ASP 12 1HB ASP 12 -6.006 1.821 0.174
93 H ILE 13 H ILE 13 -4.199 0.848 1.539
94 HA ILE 13 HA ILE 13 -3.392 2.654 3.635
95 HB ILE 13 HB ILE 13 -3.885 -0.331 3.624
96 HG12 ILE 13 2HG1 ILE 13 -5.828 0.757 5.164
97 HG13 ILE 13 1HG1 ILE 13 -5.550 2.113 4.067
98 HG21 ILE 13 1HG2 ILE 13 -2.396 0.087 5.437
99 HG22 ILE 13 2HG2 ILE 13 -4.008 0.073 6.153
100 HG23 ILE 13 3HG2 ILE 13 -3.195 1.607 5.841
101 HD11 ILE 13 1HD1 ILE 13 -7.290 0.644 3.161
102 HD12 ILE 13 2HD1 ILE 13 -6.198 -0.737 3.252
103 HD13 ILE 13 3HD1 ILE 13 -5.858 0.584 2.135
104 H ALA 14 H ALA 14 -1.977 -0.272 2.164
105 HA ALA 14 HA ALA 14 0.418 -0.298 3.608
106 HB1 ALA 14 1HB ALA 14 -0.284 -1.266 0.838
107 HB2 ALA 14 2HB ALA 14 -0.092 -2.215 2.311
108 HB3 ALA 14 3HB ALA 14 1.320 -1.498 1.534
109 H GLY 15 H GLY 15 -0.582 1.629 0.864
110 HA2 GLY 15 2HA GLY 15 1.818 2.518 -0.176
111 HA3 GLY 15 1HA GLY 15 0.362 3.515 -0.074
112 H HIS 16 H HIS 16 0.117 3.672 2.721
113 HA HIS 16 HA HIS 16 2.051 5.724 3.277
114 HB2 HIS 16 2HB HIS 16 0.224 6.416 4.399
115 HB3 HIS 16 1HB HIS 16 -0.479 4.806 4.378
116 HD2 HIS 16 2HD HIS 16 -0.099 3.315 6.743
117 HE1 HIS 16 1HE HIS 16 2.169 6.228 8.792
118 HE2 HIS 16 2HE HIS 16 0.979 3.996 9.022
119 H LEU 17 H LEU 17 1.295 2.542 4.680
120 HA LEU 17 HA LEU 17 3.253 2.497 6.669
121 HB2 LEU 17 2HB LEU 17 1.429 0.820 6.423
122 HB3 LEU 17 1HB LEU 17 2.275 0.148 5.026
123 HG LEU 17 HG LEU 17 4.262 -0.276 6.485
124 HD11 LEU 17 1HD1 LEU 17 3.529 -0.288 9.035
125 HD12 LEU 17 2HD1 LEU 17 2.429 0.983 8.502
126 HD13 LEU 17 3HD1 LEU 17 4.170 1.178 8.296
127 HD21 LEU 17 1HD2 LEU 17 2.804 -2.134 6.121
128 HD22 LEU 17 2HD2 LEU 17 1.588 -1.486 7.222
129 HD23 LEU 17 3HD2 LEU 17 3.112 -2.105 7.857
130 H ALA 18 H ALA 18 3.458 1.676 3.237
131 HA ALA 18 HA ALA 18 6.044 0.566 3.240
132 HB1 ALA 18 1HB ALA 18 4.885 2.197 0.982
133 HB2 ALA 18 2HB ALA 18 4.328 0.564 1.348
134 HB3 ALA 18 3HB ALA 18 6.007 0.840 0.883
135 H SER 19 H SER 19 4.971 3.908 2.616
136 HA SER 19 HA SER 19 7.443 5.073 2.122
137 HB2 SER 19 2HB SER 19 5.286 6.249 1.865
138 HB3 SER 19 1HB SER 19 5.111 6.297 3.617
139 HG SER 19 HG SER 19 7.523 7.201 3.023
140 H LYS 20 H LYS 20 5.876 4.335 5.203
141 HA LYS 20 HA LYS 20 7.650 5.665 6.916
142 HB2 LYS 20 2HB LYS 20 5.521 3.747 7.145
143 HB3 LYS 20 1HB LYS 20 6.852 3.279 8.208
144 HG2 LYS 20 2HG LYS 20 5.693 6.079 8.107
145 HG3 LYS 20 1HG LYS 20 5.167 4.852 9.256
146 HD2 LYS 20 2HD LYS 20 8.086 5.097 9.177
147 HD3 LYS 20 1HD LYS 20 7.305 6.617 9.611
148 HE2 LYS 20 2HE LYS 20 7.837 5.060 11.556
149 HE3 LYS 20 1HE LYS 20 6.166 5.614 11.457
150 HZ1 LYS 20 1HZ LYS 20 6.270 3.350 9.910
151 HZ2 LYS 20 2HZ LYS 20 5.588 3.488 11.460
152 HZ3 LYS 20 3HZ LYS 20 7.196 2.968 11.279
153 H VAL 21 H VAL 21 7.715 2.313 5.723
154 HA VAL 21 HA VAL 21 10.177 1.655 7.010
155 HB VAL 21 HB VAL 21 8.755 0.365 4.668
156 HG11 VAL 21 1HG1 VAL 21 11.045 -0.330 4.591
157 HG12 VAL 21 2HG1 VAL 21 10.167 -1.628 5.398
158 HG13 VAL 21 3HG1 VAL 21 11.124 -0.489 6.346
159 HG21 VAL 21 1HG2 VAL 21 8.805 -0.202 7.648
160 HG22 VAL 21 2HG2 VAL 21 8.104 -1.288 6.449
161 HG23 VAL 21 3HG2 VAL 21 7.415 0.317 6.694
162 H MET 22 H MET 22 9.303 2.959 3.863
163 HA MET 22 HA MET 22 11.766 2.599 2.551
164 HB2 MET 22 2HB MET 22 9.368 3.527 1.772
165 HB3 MET 22 1HB MET 22 10.196 5.068 1.985
166 HG2 MET 22 2HG MET 22 12.025 4.289 0.512
167 HG3 MET 22 1HG MET 22 11.179 2.750 0.287
168 HE1 MET 22 1HE MET 22 9.978 2.383 -1.891
169 HE2 MET 22 2HE MET 22 11.527 3.172 -2.182
170 HE3 MET 22 3HE MET 22 10.106 3.676 -3.092
171 H ASN 23 H ASN 23 10.520 5.346 4.442
172 HA ASN 23 HA ASN 23 12.759 7.013 4.152
173 HB2 ASN 23 2HB ASN 23 11.649 8.408 5.575
174 HB3 ASN 23 1HB ASN 23 10.308 7.318 5.224
175 HD21 ASN 23 1HD2 ASN 23 9.300 6.476 7.048
176 HD22 ASN 23 2HD2 ASN 23 10.018 6.333 8.579
177 H LYS 24 H LYS 24 12.026 4.445 6.460
178 HA LYS 24 HA LYS 24 14.218 4.932 8.198
179 HB2 LYS 24 2HB LYS 24 12.071 3.472 8.522
180 HB3 LYS 24 1HB LYS 24 13.068 2.213 7.807
181 HG2 LYS 24 2HG LYS 24 13.539 1.942 10.079
182 HG3 LYS 24 1HG LYS 24 14.857 2.987 9.559
183 HD2 LYS 24 2HD LYS 24 14.174 4.267 11.334
184 HD3 LYS 24 1HD LYS 24 12.998 4.872 10.168
185 HE2 LYS 24 2HE LYS 24 11.349 3.232 10.942
186 HE3 LYS 24 1HE LYS 24 12.530 2.551 12.061
187 HZ1 LYS 24 1HZ LYS 24 11.816 5.414 12.150
188 HZ2 LYS 24 2HZ LYS 24 12.513 4.454 13.365
189 HZ3 LYS 24 3HZ LYS 24 10.876 4.256 12.957
190 H LEU 25 H LEU 25 13.739 2.508 5.630
191 HA LEU 25 HA LEU 25 16.545 2.659 4.909
192 HB2 LEU 25 2HB LEU 25 16.984 0.266 5.260
193 HB3 LEU 25 1HB LEU 25 16.603 1.075 6.787
194 HG LEU 25 HG LEU 25 14.098 0.306 5.937
195 HD11 LEU 25 1HD1 LEU 25 15.878 -2.066 5.358
196 HD12 LEU 25 2HD1 LEU 25 15.349 -0.977 4.075
197 HD13 LEU 25 3HD1 LEU 25 14.158 -1.875 5.014
198 HD21 LEU 25 1HD2 LEU 25 14.381 -1.571 7.596
199 HD22 LEU 25 2HD2 LEU 25 14.919 -0.003 8.197
200 HD23 LEU 25 3HD2 LEU 25 16.103 -1.191 7.652
201 HN1 NH2 26 HN1 NH2 26 13.289 1.430 4.344
202 HN2 NH2 26 HN2 NH2 26 13.531 1.051 2.691
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -12.428 -9.699 -11.752
2 H2 GLY 1 2HT GLY 1 -13.691 -9.876 -12.875
3 H3 GLY 1 3HT GLY 1 -13.927 -8.960 -11.463
4 HA2 GLY 1 2HA GLY 1 -11.821 -8.206 -13.382
5 HA3 GLY 1 1HA GLY 1 -13.502 -7.730 -13.665
6 H VAL 2 H VAL 2 -14.552 -6.369 -12.139
7 HA VAL 2 HA VAL 2 -12.916 -4.332 -11.045
8 HB VAL 2 HB VAL 2 -15.801 -4.931 -10.352
9 HG11 VAL 2 1HG1 VAL 2 -14.813 -3.260 -8.903
10 HG12 VAL 2 2HG1 VAL 2 -15.841 -2.428 -10.070
11 HG13 VAL 2 3HG1 VAL 2 -14.090 -2.428 -10.279
12 HG21 VAL 2 1HG2 VAL 2 -15.536 -4.847 -12.785
13 HG22 VAL 2 2HG2 VAL 2 -14.602 -3.358 -12.655
14 HG23 VAL 2 3HG2 VAL 2 -16.314 -3.365 -12.229
15 H VAL 3 H VAL 3 -14.346 -7.236 -9.699
16 HA VAL 3 HA VAL 3 -14.116 -6.659 -6.964
17 HB VAL 3 HB VAL 3 -13.762 -9.346 -8.311
18 HG11 VAL 3 1HG1 VAL 3 -13.124 -9.514 -6.015
19 HG12 VAL 3 2HG1 VAL 3 -14.789 -10.091 -6.089
20 HG13 VAL 3 3HG1 VAL 3 -14.444 -8.466 -5.499
21 HG21 VAL 3 1HG2 VAL 3 -15.846 -8.141 -8.985
22 HG22 VAL 3 2HG2 VAL 3 -16.277 -7.992 -7.281
23 HG23 VAL 3 3HG2 VAL 3 -16.180 -9.587 -8.031
24 H ASP 4 H ASP 4 -11.829 -8.397 -9.088
25 HA ASP 4 HA ASP 4 -9.798 -8.714 -7.178
26 HB2 ASP 4 2HB ASP 4 -10.069 -9.758 -9.538
27 HB3 ASP 4 1HB ASP 4 -9.203 -8.327 -10.075
28 H ILE 5 H ILE 5 -10.279 -6.183 -9.629
29 HA ILE 5 HA ILE 5 -7.989 -4.684 -9.205
30 HB ILE 5 HB ILE 5 -10.759 -3.652 -9.798
31 HG12 ILE 5 2HG1 ILE 5 -9.322 -5.524 -11.233
32 HG13 ILE 5 1HG1 ILE 5 -10.561 -4.460 -11.901
33 HG21 ILE 5 1HG2 ILE 5 -9.318 -1.830 -9.203
34 HG22 ILE 5 2HG2 ILE 5 -9.451 -1.838 -10.960
35 HG23 ILE 5 3HG2 ILE 5 -8.003 -2.479 -10.182
36 HD11 ILE 5 1HD1 ILE 5 -8.914 -2.853 -12.586
37 HD12 ILE 5 2HD1 ILE 5 -8.365 -4.436 -13.136
38 HD13 ILE 5 3HD1 ILE 5 -7.641 -3.702 -11.706
39 H LEU 6 H LEU 6 -10.903 -4.878 -7.257
40 HA LEU 6 HA LEU 6 -10.597 -2.559 -5.725
41 HB2 LEU 6 2HB LEU 6 -12.357 -3.362 -4.523
42 HB3 LEU 6 1HB LEU 6 -12.438 -4.545 -5.828
43 HG LEU 6 HG LEU 6 -10.814 -5.962 -4.397
44 HD11 LEU 6 1HD1 LEU 6 -11.073 -3.646 -2.711
45 HD12 LEU 6 2HD1 LEU 6 -10.114 -5.097 -2.437
46 HD13 LEU 6 3HD1 LEU 6 -11.782 -5.026 -1.876
47 HD21 LEU 6 1HD2 LEU 6 -12.662 -6.976 -3.212
48 HD22 LEU 6 2HD2 LEU 6 -13.281 -6.380 -4.751
49 HD23 LEU 6 3HD2 LEU 6 -13.585 -5.475 -3.269
50 H LYS 7 H LYS 7 -8.930 -5.629 -5.581
51 HA LYS 7 HA LYS 7 -7.858 -5.431 -2.978
52 HB2 LYS 7 2HB LYS 7 -6.528 -7.244 -3.576
53 HB3 LYS 7 1HB LYS 7 -7.870 -7.379 -4.707
54 HG2 LYS 7 2HG LYS 7 -6.407 -5.931 -6.289
55 HG3 LYS 7 1HG LYS 7 -5.074 -6.406 -5.236
56 HD2 LYS 7 2HD LYS 7 -5.627 -8.779 -5.615
57 HD3 LYS 7 1HD LYS 7 -6.967 -8.296 -6.658
58 HE2 LYS 7 2HE LYS 7 -4.085 -7.512 -7.168
59 HE3 LYS 7 1HE LYS 7 -4.859 -8.915 -7.906
60 HZ1 LYS 7 1HZ LYS 7 -5.140 -7.214 -9.448
61 HZ2 LYS 7 2HZ LYS 7 -5.507 -6.055 -8.262
62 HZ3 LYS 7 3HZ LYS 7 -6.632 -7.270 -8.644
63 H GLY 8 H GLY 8 -6.700 -4.302 -6.103
64 HA2 GLY 8 2HA GLY 8 -4.163 -3.454 -5.640
65 HA3 GLY 8 1HA GLY 8 -5.304 -2.506 -6.601
66 H ALA 9 H ALA 9 -7.098 -2.018 -4.342
67 HA ALA 9 HA ALA 9 -6.023 0.412 -3.408
68 HB1 ALA 9 1HB ALA 9 -8.477 -0.270 -3.526
69 HB2 ALA 9 2HB ALA 9 -7.981 0.595 -2.071
70 HB3 ALA 9 3HB ALA 9 -8.201 -1.154 -2.024
71 H ALA 10 H ALA 10 -6.372 -2.747 -1.806
72 HA ALA 10 HA ALA 10 -5.328 -2.024 0.693
73 HB1 ALA 10 1HB ALA 10 -5.078 -4.698 -0.704
74 HB2 ALA 10 2HB ALA 10 -6.481 -4.170 0.223
75 HB3 ALA 10 3HB ALA 10 -4.931 -4.406 1.030
76 H LYS 11 H LYS 11 -3.747 -2.816 -2.331
77 HA LYS 11 HA LYS 11 -1.127 -3.160 -1.232
78 HB2 LYS 11 2HB LYS 11 -1.982 -3.996 -3.495
79 HB3 LYS 11 1HB LYS 11 -1.753 -2.344 -4.067
80 HG2 LYS 11 2HG LYS 11 0.637 -2.537 -3.098
81 HG3 LYS 11 1HG LYS 11 0.328 -4.279 -3.040
82 HD2 LYS 11 2HD LYS 11 1.253 -4.105 -5.162
83 HD3 LYS 11 1HD LYS 11 -0.452 -3.883 -5.553
84 HE2 LYS 11 2HE LYS 11 0.636 -2.104 -6.676
85 HE3 LYS 11 1HE LYS 11 -0.006 -1.359 -5.212
86 HZ1 LYS 11 1HZ LYS 11 2.123 -0.640 -5.084
87 HZ2 LYS 11 2HZ LYS 11 2.757 -1.966 -5.936
88 HZ3 LYS 11 3HZ LYS 11 2.331 -2.129 -4.299
89 H ASP 12 H ASP 12 -2.931 -0.444 -2.585
90 HA ASP 12 HA ASP 12 -0.805 1.394 -2.774
91 HB2 ASP 12 2HB ASP 12 -2.908 1.872 -3.849
92 HB3 ASP 12 1HB ASP 12 -3.764 1.822 -2.303
93 H ILE 13 H ILE 13 -3.228 0.988 -0.177
94 HA ILE 13 HA ILE 13 -2.084 2.861 1.591
95 HB ILE 13 HB ILE 13 -3.863 0.465 2.047
96 HG12 ILE 13 2HG1 ILE 13 -5.360 2.548 2.717
97 HG13 ILE 13 1HG1 ILE 13 -4.214 3.439 1.713
98 HG21 ILE 13 1HG2 ILE 13 -2.706 2.448 4.010
99 HG22 ILE 13 2HG2 ILE 13 -2.741 0.689 4.126
100 HG23 ILE 13 3HG2 ILE 13 -4.228 1.614 4.326
101 HD11 ILE 13 1HD1 ILE 13 -5.717 0.968 0.793
102 HD12 ILE 13 2HD1 ILE 13 -4.701 2.017 -0.194
103 HD13 ILE 13 3HD1 ILE 13 -6.224 2.621 0.452
104 H ALA 14 H ALA 14 -1.668 -0.661 1.318
105 HA ALA 14 HA ALA 14 0.063 -0.989 3.512
106 HB1 ALA 14 1HB ALA 14 0.076 -2.593 0.948
107 HB2 ALA 14 2HB ALA 14 -1.077 -2.836 2.259
108 HB3 ALA 14 3HB ALA 14 0.641 -3.117 2.534
109 H GLY 15 H GLY 15 0.864 -0.713 0.041
110 HA2 GLY 15 2HA GLY 15 3.653 -0.622 0.348
111 HA3 GLY 15 1HA GLY 15 2.760 0.031 -1.029
112 H HIS 16 H HIS 16 1.341 1.610 1.350
113 HA HIS 16 HA HIS 16 2.875 4.013 0.937
114 HB2 HIS 16 2HB HIS 16 0.287 3.709 1.242
115 HB3 HIS 16 1HB HIS 16 0.691 3.808 2.950
116 HD2 HIS 16 2HD HIS 16 -0.873 6.362 1.430
117 HE1 HIS 16 1HE HIS 16 2.837 8.319 1.917
118 HE2 HIS 16 2HE HIS 16 0.365 8.662 1.451
119 H LEU 17 H LEU 17 2.315 1.752 3.582
120 HA LEU 17 HA LEU 17 3.622 3.249 5.605
121 HB2 LEU 17 2HB LEU 17 2.072 1.255 5.921
122 HB3 LEU 17 1HB LEU 17 3.443 0.237 5.470
123 HG LEU 17 HG LEU 17 4.709 1.651 7.316
124 HD11 LEU 17 1HD1 LEU 17 3.170 2.219 9.192
125 HD12 LEU 17 2HD1 LEU 17 1.796 1.874 8.141
126 HD13 LEU 17 3HD1 LEU 17 2.880 3.215 7.766
127 HD21 LEU 17 1HD2 LEU 17 2.724 -0.581 7.816
128 HD22 LEU 17 2HD2 LEU 17 3.871 -0.030 9.037
129 HD23 LEU 17 3HD2 LEU 17 4.457 -0.727 7.527
130 H ALA 18 H ALA 18 4.751 0.756 3.349
131 HA ALA 18 HA ALA 18 7.305 0.310 4.303
132 HB1 ALA 18 1HB ALA 18 7.920 -0.144 1.916
133 HB2 ALA 18 2HB ALA 18 6.343 0.486 1.440
134 HB3 ALA 18 3HB ALA 18 6.449 -0.963 2.440
135 H SER 19 H SER 19 6.258 2.860 2.043
136 HA SER 19 HA SER 19 8.714 4.078 1.589
137 HB2 SER 19 2HB SER 19 6.944 4.879 0.280
138 HB3 SER 19 1HB SER 19 5.897 5.124 1.676
139 HG SER 19 HG SER 19 6.775 7.015 1.981
140 H LYS 20 H LYS 20 6.442 4.540 4.268
141 HA LYS 20 HA LYS 20 7.770 6.690 5.508
142 HB2 LYS 20 2HB LYS 20 5.464 5.217 5.985
143 HB3 LYS 20 1HB LYS 20 6.487 4.859 7.378
144 HG2 LYS 20 2HG LYS 20 5.325 6.804 8.032
145 HG3 LYS 20 1HG LYS 20 6.887 7.415 7.494
146 HD2 LYS 20 2HD LYS 20 5.469 8.850 6.343
147 HD3 LYS 20 1HD LYS 20 5.654 7.569 5.146
148 HE2 LYS 20 2HE LYS 20 3.565 6.526 5.908
149 HE3 LYS 20 1HE LYS 20 3.387 7.761 7.154
150 HZ1 LYS 20 1HZ LYS 20 2.115 8.633 5.490
151 HZ2 LYS 20 2HZ LYS 20 3.078 7.992 4.246
152 HZ3 LYS 20 3HZ LYS 20 3.606 9.351 5.118
153 H VAL 21 H VAL 21 7.889 3.205 6.266
154 HA VAL 21 HA VAL 21 9.874 3.365 8.244
155 HB VAL 21 HB VAL 21 9.447 1.050 6.344
156 HG11 VAL 21 1HG1 VAL 21 10.223 -0.277 8.251
157 HG12 VAL 21 2HG1 VAL 21 10.359 1.180 9.236
158 HG13 VAL 21 3HG1 VAL 21 11.426 0.949 7.851
159 HG21 VAL 21 1HG2 VAL 21 7.793 0.271 8.040
160 HG22 VAL 21 2HG2 VAL 21 7.287 1.768 7.256
161 HG23 VAL 21 3HG2 VAL 21 7.966 1.810 8.883
162 H MET 22 H MET 22 10.117 3.010 4.730
163 HA MET 22 HA MET 22 12.884 2.521 4.581
164 HB2 MET 22 2HB MET 22 10.919 2.550 2.758
165 HB3 MET 22 1HB MET 22 11.590 4.148 2.444
166 HG2 MET 22 2HG MET 22 13.837 3.154 2.166
167 HG3 MET 22 1HG MET 22 13.157 1.547 2.468
168 HE1 MET 22 1HE MET 22 14.752 1.622 0.057
169 HE2 MET 22 2HE MET 22 13.696 0.992 -1.205
170 HE3 MET 22 3HE MET 22 13.639 0.292 0.411
171 H ASN 23 H ASN 23 11.039 5.552 4.426
172 HA ASN 23 HA ASN 23 13.379 7.199 4.234
173 HB2 ASN 23 2HB ASN 23 10.925 7.688 3.486
174 HB3 ASN 23 1HB ASN 23 10.737 8.222 5.158
175 HD21 ASN 23 1HD2 ASN 23 11.185 10.404 5.452
176 HD22 ASN 23 2HD2 ASN 23 12.251 11.315 4.497
177 H LYS 24 H LYS 24 11.349 6.012 6.827
178 HA LYS 24 HA LYS 24 12.644 7.709 8.810
179 HB2 LYS 24 2HB LYS 24 10.143 6.920 8.733
180 HB3 LYS 24 1HB LYS 24 10.797 5.484 9.508
181 HG2 LYS 24 2HG LYS 24 10.279 6.816 11.357
182 HG3 LYS 24 1HG LYS 24 11.980 7.190 11.105
183 HD2 LYS 24 2HD LYS 24 11.231 9.355 11.154
184 HD3 LYS 24 1HD LYS 24 10.859 9.040 9.460
185 HE2 LYS 24 2HE LYS 24 8.565 8.418 10.050
186 HE3 LYS 24 1HE LYS 24 8.928 8.639 11.761
187 HZ1 LYS 24 1HZ LYS 24 7.829 10.578 10.828
188 HZ2 LYS 24 2HZ LYS 24 9.068 10.752 9.679
189 HZ3 LYS 24 3HZ LYS 24 9.402 10.962 11.332
190 H LEU 25 H LEU 25 13.294 4.798 7.301
191 HA LEU 25 HA LEU 25 14.334 2.809 8.058
192 HB2 LEU 25 2HB LEU 25 16.767 3.428 8.475
193 HB3 LEU 25 1HB LEU 25 16.066 4.000 6.955
194 HG LEU 25 HG LEU 25 15.846 5.809 9.327
195 HD11 LEU 25 1HD1 LEU 25 18.418 5.201 7.858
196 HD12 LEU 25 2HD1 LEU 25 18.138 5.208 9.600
197 HD13 LEU 25 3HD1 LEU 25 18.147 6.726 8.701
198 HD21 LEU 25 1HD2 LEU 25 16.751 6.567 6.563
199 HD22 LEU 25 2HD2 LEU 25 15.755 7.476 7.701
200 HD23 LEU 25 3HD2 LEU 25 15.064 6.119 6.813
201 HN1 NH2 26 HN1 NH2 26 12.865 2.702 10.127
202 HN2 NH2 26 HN2 NH2 26 13.696 2.787 11.623
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -15.102 -8.874 -10.038
2 H2 GLY 1 2HT GLY 1 -14.075 -10.136 -10.529
3 H3 GLY 1 3HT GLY 1 -15.250 -9.528 -11.596
4 HA2 GLY 1 2HA GLY 1 -12.678 -8.789 -11.618
5 HA3 GLY 1 1HA GLY 1 -14.007 -7.791 -12.225
6 H VAL 2 H VAL 2 -15.272 -6.852 -10.093
7 HA VAL 2 HA VAL 2 -13.641 -4.794 -9.115
8 HB VAL 2 HB VAL 2 -16.133 -5.832 -7.757
9 HG11 VAL 2 1HG1 VAL 2 -14.690 -4.003 -6.704
10 HG12 VAL 2 2HG1 VAL 2 -16.378 -3.579 -6.991
11 HG13 VAL 2 3HG1 VAL 2 -15.124 -2.998 -8.086
12 HG21 VAL 2 1HG2 VAL 2 -17.301 -4.194 -9.301
13 HG22 VAL 2 2HG2 VAL 2 -16.672 -5.635 -10.101
14 HG23 VAL 2 3HG2 VAL 2 -15.803 -4.106 -10.227
15 H VAL 3 H VAL 3 -14.382 -7.974 -7.816
16 HA VAL 3 HA VAL 3 -13.434 -7.601 -5.191
17 HB VAL 3 HB VAL 3 -13.253 -10.153 -6.804
18 HG11 VAL 3 1HG1 VAL 3 -12.147 -10.036 -4.538
19 HG12 VAL 3 2HG1 VAL 3 -13.437 -11.234 -4.648
20 HG13 VAL 3 3HG1 VAL 3 -13.733 -9.691 -3.847
21 HG21 VAL 3 1HG2 VAL 3 -15.589 -8.840 -5.392
22 HG22 VAL 3 2HG2 VAL 3 -15.555 -10.560 -5.775
23 HG23 VAL 3 3HG2 VAL 3 -15.503 -9.366 -7.072
24 H ASP 4 H ASP 4 -11.761 -8.946 -8.044
25 HA ASP 4 HA ASP 4 -9.246 -9.216 -6.794
26 HB2 ASP 4 2HB ASP 4 -8.503 -9.928 -8.845
27 HB3 ASP 4 1HB ASP 4 -10.235 -10.064 -9.129
28 H ILE 5 H ILE 5 -10.548 -6.660 -8.895
29 HA ILE 5 HA ILE 5 -8.343 -4.995 -9.035
30 HB ILE 5 HB ILE 5 -11.241 -4.192 -8.817
31 HG12 ILE 5 2HG1 ILE 5 -10.062 -5.852 -10.688
32 HG13 ILE 5 1HG1 ILE 5 -11.528 -4.904 -10.943
33 HG21 ILE 5 1HG2 ILE 5 -10.439 -2.213 -10.158
34 HG22 ILE 5 2HG2 ILE 5 -8.789 -2.738 -9.813
35 HG23 ILE 5 3HG2 ILE 5 -9.857 -2.261 -8.495
36 HD11 ILE 5 1HD1 ILE 5 -10.276 -3.102 -11.923
37 HD12 ILE 5 2HD1 ILE 5 -9.755 -4.595 -12.703
38 HD13 ILE 5 3HD1 ILE 5 -8.743 -3.849 -11.466
39 H LEU 6 H LEU 6 -10.525 -5.519 -6.347
40 HA LEU 6 HA LEU 6 -9.964 -3.195 -4.870
41 HB2 LEU 6 2HB LEU 6 -11.277 -4.141 -3.269
42 HB3 LEU 6 1HB LEU 6 -11.646 -5.297 -4.548
43 HG LEU 6 HG LEU 6 -9.620 -6.642 -3.677
44 HD11 LEU 6 1HD1 LEU 6 -8.435 -5.764 -1.973
45 HD12 LEU 6 2HD1 LEU 6 -9.869 -5.829 -0.953
46 HD13 LEU 6 3HD1 LEU 6 -9.522 -4.380 -1.893
47 HD21 LEU 6 1HD2 LEU 6 -11.004 -7.779 -2.046
48 HD22 LEU 6 2HD2 LEU 6 -12.056 -7.204 -3.338
49 HD23 LEU 6 3HD2 LEU 6 -11.986 -6.336 -1.806
50 H LYS 7 H LYS 7 -8.163 -6.154 -5.329
51 HA LYS 7 HA LYS 7 -6.398 -5.859 -3.117
52 HB2 LYS 7 2HB LYS 7 -5.315 -7.720 -3.969
53 HB3 LYS 7 1HB LYS 7 -6.900 -7.882 -4.719
54 HG2 LYS 7 2HG LYS 7 -5.867 -6.491 -6.667
55 HG3 LYS 7 1HG LYS 7 -4.321 -6.978 -5.971
56 HD2 LYS 7 2HD LYS 7 -5.043 -9.351 -6.108
57 HD3 LYS 7 1HD LYS 7 -6.552 -8.825 -6.858
58 HE2 LYS 7 2HE LYS 7 -5.111 -7.677 -8.629
59 HE3 LYS 7 1HE LYS 7 -3.747 -8.575 -7.963
60 HZ1 LYS 7 1HZ LYS 7 -5.655 -9.471 -9.778
61 HZ2 LYS 7 2HZ LYS 7 -5.916 -10.324 -8.332
62 HZ3 LYS 7 3HZ LYS 7 -4.390 -10.356 -9.078
63 H GLY 8 H GLY 8 -6.269 -4.859 -6.490
64 HA2 GLY 8 2HA GLY 8 -3.634 -3.862 -6.526
65 HA3 GLY 8 1HA GLY 8 -4.935 -3.350 -7.607
66 H ALA 9 H ALA 9 -6.710 -2.347 -5.640
67 HA ALA 9 HA ALA 9 -5.737 0.293 -5.351
68 HB1 ALA 9 1HB ALA 9 -8.154 -0.368 -5.488
69 HB2 ALA 9 2HB ALA 9 -7.788 0.736 -4.162
70 HB3 ALA 9 3HB ALA 9 -8.026 -0.982 -3.839
71 H ALA 10 H ALA 10 -6.199 -2.329 -2.987
72 HA ALA 10 HA ALA 10 -5.407 -0.979 -0.685
73 HB1 ALA 10 1HB ALA 10 -4.830 -3.205 0.214
74 HB2 ALA 10 2HB ALA 10 -4.931 -3.879 -1.413
75 HB3 ALA 10 3HB ALA 10 -6.375 -3.228 -0.636
76 H LYS 11 H LYS 11 -3.497 -2.267 -3.310
77 HA LYS 11 HA LYS 11 -0.979 -2.153 -1.947
78 HB2 LYS 11 2HB LYS 11 -1.671 -3.467 -4.111
79 HB3 LYS 11 1HB LYS 11 -1.229 -1.972 -4.934
80 HG2 LYS 11 2HG LYS 11 0.980 -2.063 -3.676
81 HG3 LYS 11 1HG LYS 11 0.529 -3.698 -3.172
82 HD2 LYS 11 2HD LYS 11 0.178 -4.213 -5.651
83 HD3 LYS 11 1HD LYS 11 0.994 -2.685 -5.984
84 HE2 LYS 11 2HE LYS 11 2.892 -3.535 -4.495
85 HE3 LYS 11 1HE LYS 11 2.113 -5.115 -4.577
86 HZ1 LYS 11 1HZ LYS 11 3.832 -3.999 -6.430
87 HZ2 LYS 11 2HZ LYS 11 2.297 -3.970 -7.158
88 HZ3 LYS 11 3HZ LYS 11 2.944 -5.435 -6.590
89 H ASP 12 H ASP 12 -2.826 0.048 -3.990
90 HA ASP 12 HA ASP 12 -0.860 1.972 -4.499
91 HB2 ASP 12 2HB ASP 12 -3.200 1.861 -5.473
92 HB3 ASP 12 1HB ASP 12 -3.770 2.587 -3.966
93 H ILE 13 H ILE 13 -3.228 1.856 -1.824
94 HA ILE 13 HA ILE 13 -2.075 4.121 -0.490
95 HB ILE 13 HB ILE 13 -4.029 2.010 0.454
96 HG12 ILE 13 2HG1 ILE 13 -5.385 4.371 0.363
97 HG13 ILE 13 1HG1 ILE 13 -4.232 4.636 -0.950
98 HG21 ILE 13 1HG2 ILE 13 -2.998 2.853 2.423
99 HG22 ILE 13 2HG2 ILE 13 -4.479 3.796 2.247
100 HG23 ILE 13 3HG2 ILE 13 -2.928 4.494 1.780
101 HD11 ILE 13 1HD1 ILE 13 -6.124 2.280 -0.670
102 HD12 ILE 13 2HD1 ILE 13 -4.917 2.456 -1.942
103 HD13 ILE 13 3HD1 ILE 13 -6.258 3.596 -1.836
104 H ALA 14 H ALA 14 -2.126 0.624 0.220
105 HA ALA 14 HA ALA 14 -0.529 0.605 2.479
106 HB1 ALA 14 1HB ALA 14 0.033 -1.706 1.896
107 HB2 ALA 14 2HB ALA 14 -0.520 -1.436 0.243
108 HB3 ALA 14 3HB ALA 14 -1.673 -1.391 1.577
109 H GLY 15 H GLY 15 0.421 0.781 -0.913
110 HA2 GLY 15 2HA GLY 15 3.144 0.318 -0.758
111 HA3 GLY 15 1HA GLY 15 2.399 1.451 -1.891
112 H HIS 16 H HIS 16 1.324 3.135 0.279
113 HA HIS 16 HA HIS 16 3.523 4.915 0.541
114 HB2 HIS 16 2HB HIS 16 1.928 6.395 1.156
115 HB3 HIS 16 1HB HIS 16 0.773 5.115 0.796
116 HD2 HIS 16 2HD HIS 16 0.247 3.429 3.240
117 HE1 HIS 16 1HE HIS 16 1.047 6.676 5.816
118 HE2 HIS 16 2HE HIS 16 0.029 4.355 5.672
119 H LEU 17 H LEU 17 1.997 2.600 2.731
120 HA LEU 17 HA LEU 17 3.167 3.245 5.139
121 HB2 LEU 17 2HB LEU 17 1.520 1.359 4.623
122 HB3 LEU 17 1HB LEU 17 2.930 0.398 4.164
123 HG LEU 17 HG LEU 17 3.845 1.234 6.520
124 HD11 LEU 17 1HD1 LEU 17 0.877 1.104 7.079
125 HD12 LEU 17 2HD1 LEU 17 1.700 2.636 6.790
126 HD13 LEU 17 3HD1 LEU 17 2.169 1.628 8.158
127 HD21 LEU 17 1HD2 LEU 17 2.672 -0.811 7.541
128 HD22 LEU 17 2HD2 LEU 17 3.615 -1.099 6.079
129 HD23 LEU 17 3HD2 LEU 17 1.859 -0.985 5.985
130 H ALA 18 H ALA 18 4.612 1.643 2.364
131 HA ALA 18 HA ALA 18 6.959 0.679 3.570
132 HB1 ALA 18 1HB ALA 18 6.350 0.013 1.321
133 HB2 ALA 18 2HB ALA 18 7.925 0.805 1.272
134 HB3 ALA 18 3HB ALA 18 6.483 1.677 0.753
135 H SER 19 H SER 19 6.095 3.875 2.373
136 HA SER 19 HA SER 19 8.646 5.052 2.380
137 HB2 SER 19 2HB SER 19 6.550 6.060 1.423
138 HB3 SER 19 1HB SER 19 6.041 6.425 3.069
139 HG SER 19 HG SER 19 7.924 7.670 3.302
140 H LYS 20 H LYS 20 6.199 4.795 4.946
141 HA LYS 20 HA LYS 20 7.550 6.291 6.897
142 HB2 LYS 20 2HB LYS 20 5.189 4.742 6.742
143 HB3 LYS 20 1HB LYS 20 6.114 4.115 8.110
144 HG2 LYS 20 2HG LYS 20 4.770 5.879 8.995
145 HG3 LYS 20 1HG LYS 20 6.396 6.544 8.854
146 HD2 LYS 20 2HD LYS 20 5.214 8.252 7.836
147 HD3 LYS 20 1HD LYS 20 5.508 7.236 6.426
148 HE2 LYS 20 2HE LYS 20 3.171 7.785 6.402
149 HE3 LYS 20 1HE LYS 20 3.287 6.102 6.918
150 HZ1 LYS 20 1HZ LYS 20 2.554 6.592 8.962
151 HZ2 LYS 20 2HZ LYS 20 1.932 7.998 8.237
152 HZ3 LYS 20 3HZ LYS 20 3.421 8.047 9.053
153 H VAL 21 H VAL 21 7.665 2.824 6.148
154 HA VAL 21 HA VAL 21 9.399 2.082 8.252
155 HB VAL 21 HB VAL 21 9.139 0.795 5.525
156 HG11 VAL 21 1HG1 VAL 21 9.804 -1.245 6.789
157 HG12 VAL 21 2HG1 VAL 21 10.038 -0.252 8.227
158 HG13 VAL 21 3HG1 VAL 21 11.061 -0.009 6.811
159 HG21 VAL 21 1HG2 VAL 21 7.575 0.358 8.090
160 HG22 VAL 21 2HG2 VAL 21 7.436 -0.631 6.636
161 HG23 VAL 21 3HG2 VAL 21 6.943 1.062 6.603
162 H MET 22 H MET 22 10.014 3.162 4.933
163 HA MET 22 HA MET 22 12.791 2.720 4.888
164 HB2 MET 22 2HB MET 22 11.031 3.527 3.040
165 HB3 MET 22 1HB MET 22 11.683 5.103 3.475
166 HG2 MET 22 2HG MET 22 13.983 4.237 3.079
167 HG3 MET 22 1HG MET 22 13.289 2.691 2.568
168 HE1 MET 22 1HE MET 22 14.216 2.501 0.427
169 HE2 MET 22 2HE MET 22 15.190 3.968 0.498
170 HE3 MET 22 3HE MET 22 14.178 3.659 -0.910
171 H ASN 23 H ASN 23 10.917 5.609 5.773
172 HA ASN 23 HA ASN 23 13.128 7.246 6.392
173 HB2 ASN 23 2HB ASN 23 11.553 8.801 6.922
174 HB3 ASN 23 1HB ASN 23 10.465 7.656 6.137
175 HD21 ASN 23 1HD2 ASN 23 11.797 8.449 9.395
176 HD22 ASN 23 2HD2 ASN 23 10.415 7.941 10.238
177 H LYS 24 H LYS 24 11.207 4.996 8.326
178 HA LYS 24 HA LYS 24 12.388 5.674 10.827
179 HB2 LYS 24 2HB LYS 24 10.184 4.370 10.275
180 HB3 LYS 24 1HB LYS 24 11.256 2.976 10.274
181 HG2 LYS 24 2HG LYS 24 10.586 3.060 12.515
182 HG3 LYS 24 1HG LYS 24 12.108 3.938 12.551
183 HD2 LYS 24 2HD LYS 24 10.382 5.969 11.966
184 HD3 LYS 24 1HD LYS 24 9.362 4.930 12.954
185 HE2 LYS 24 2HE LYS 24 10.439 6.400 14.489
186 HE3 LYS 24 1HE LYS 24 11.287 4.860 14.634
187 HZ1 LYS 24 1HZ LYS 24 13.017 6.323 14.407
188 HZ2 LYS 24 2HZ LYS 24 12.169 7.357 13.359
189 HZ3 LYS 24 3HZ LYS 24 12.776 5.877 12.788
190 H LEU 25 H LEU 25 13.052 3.188 8.397
191 HA LEU 25 HA LEU 25 15.789 2.976 9.317
192 HB2 LEU 25 2HB LEU 25 15.710 0.565 9.748
193 HB3 LEU 25 1HB LEU 25 14.634 1.435 10.851
194 HG LEU 25 HG LEU 25 12.956 0.925 8.721
195 HD11 LEU 25 1HD1 LEU 25 13.270 -1.469 8.167
196 HD12 LEU 25 2HD1 LEU 25 14.779 -1.475 9.079
197 HD13 LEU 25 3HD1 LEU 25 14.636 -0.498 7.619
198 HD21 LEU 25 1HD2 LEU 25 13.500 -0.739 11.197
199 HD22 LEU 25 2HD2 LEU 25 12.069 -0.922 10.183
200 HD23 LEU 25 3HD2 LEU 25 12.351 0.590 11.046
201 HN1 NH2 26 HN1 NH2 26 13.237 1.747 7.130
202 HN2 NH2 26 HN2 NH2 26 14.293 1.474 5.809
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -11.028 -7.200 -13.773
2 H2 GLY 1 2HT GLY 1 -11.573 -8.533 -14.674
3 H3 GLY 1 3HT GLY 1 -10.541 -8.767 -13.345
4 HA2 GLY 1 2HA GLY 1 -13.413 -8.190 -13.405
5 HA3 GLY 1 1HA GLY 1 -12.507 -9.295 -12.359
6 H VAL 2 H VAL 2 -14.418 -7.359 -11.461
7 HA VAL 2 HA VAL 2 -13.207 -4.989 -10.494
8 HB VAL 2 HB VAL 2 -15.505 -6.456 -9.194
9 HG11 VAL 2 1HG1 VAL 2 -16.164 -4.280 -8.450
10 HG12 VAL 2 2HG1 VAL 2 -15.009 -3.489 -9.522
11 HG13 VAL 2 3HG1 VAL 2 -14.436 -4.398 -8.124
12 HG21 VAL 2 1HG2 VAL 2 -16.942 -5.143 -10.768
13 HG22 VAL 2 2HG2 VAL 2 -15.950 -6.346 -11.592
14 HG23 VAL 2 3HG2 VAL 2 -15.486 -4.645 -11.629
15 H VAL 3 H VAL 3 -13.519 -8.243 -9.163
16 HA VAL 3 HA VAL 3 -12.667 -7.731 -6.541
17 HB VAL 3 HB VAL 3 -12.099 -10.220 -8.163
18 HG11 VAL 3 1HG1 VAL 3 -10.945 -10.069 -5.980
19 HG12 VAL 3 2HG1 VAL 3 -12.194 -11.316 -5.957
20 HG13 VAL 3 3HG1 VAL 3 -12.491 -9.756 -5.190
21 HG21 VAL 3 1HG2 VAL 3 -14.463 -9.679 -8.350
22 HG22 VAL 3 2HG2 VAL 3 -14.566 -9.358 -6.620
23 HG23 VAL 3 3HG2 VAL 3 -14.285 -11.000 -7.197
24 H ASP 4 H ASP 4 -10.832 -8.319 -9.503
25 HA ASP 4 HA ASP 4 -8.285 -8.548 -8.312
26 HB2 ASP 4 2HB ASP 4 -9.059 -9.066 -10.736
27 HB3 ASP 4 1HB ASP 4 -8.688 -7.372 -11.022
28 H ILE 5 H ILE 5 -9.942 -5.754 -9.765
29 HA ILE 5 HA ILE 5 -7.964 -3.842 -9.460
30 HB ILE 5 HB ILE 5 -10.934 -3.463 -9.107
31 HG12 ILE 5 2HG1 ILE 5 -9.621 -4.530 -11.292
32 HG13 ILE 5 1HG1 ILE 5 -11.183 -3.709 -11.342
33 HG21 ILE 5 1HG2 ILE 5 -9.765 -1.508 -8.358
34 HG22 ILE 5 2HG2 ILE 5 -10.388 -1.161 -9.970
35 HG23 ILE 5 3HG2 ILE 5 -8.682 -1.556 -9.749
36 HD11 ILE 5 1HD1 ILE 5 -10.143 -1.614 -11.890
37 HD12 ILE 5 2HD1 ILE 5 -9.479 -2.834 -12.976
38 HD13 ILE 5 3HD1 ILE 5 -8.534 -2.275 -11.598
39 H LEU 6 H LEU 6 -10.037 -5.267 -7.030
40 HA LEU 6 HA LEU 6 -9.767 -3.307 -5.029
41 HB2 LEU 6 2HB LEU 6 -10.982 -4.742 -3.752
42 HB3 LEU 6 1HB LEU 6 -11.188 -5.608 -5.274
43 HG LEU 6 HG LEU 6 -9.024 -6.871 -4.646
44 HD11 LEU 6 1HD1 LEU 6 -7.983 -6.278 -2.737
45 HD12 LEU 6 2HD1 LEU 6 -9.416 -6.740 -1.821
46 HD13 LEU 6 3HD1 LEU 6 -9.232 -5.084 -2.394
47 HD21 LEU 6 1HD2 LEU 6 -10.285 -8.495 -3.340
48 HD22 LEU 6 2HD2 LEU 6 -11.349 -7.804 -4.562
49 HD23 LEU 6 3HD2 LEU 6 -11.464 -7.266 -2.887
50 H LYS 7 H LYS 7 -7.619 -5.851 -6.107
51 HA LYS 7 HA LYS 7 -5.943 -6.046 -3.865
52 HB2 LYS 7 2HB LYS 7 -4.448 -7.170 -5.274
53 HB3 LYS 7 1HB LYS 7 -6.008 -7.424 -6.050
54 HG2 LYS 7 2HG LYS 7 -5.445 -5.277 -7.401
55 HG3 LYS 7 1HG LYS 7 -3.785 -5.577 -6.883
56 HD2 LYS 7 2HD LYS 7 -3.912 -7.852 -7.835
57 HD3 LYS 7 1HD LYS 7 -5.570 -7.537 -8.350
58 HE2 LYS 7 2HE LYS 7 -3.204 -5.858 -9.223
59 HE3 LYS 7 1HE LYS 7 -3.838 -7.208 -10.163
60 HZ1 LYS 7 1HZ LYS 7 -6.075 -5.969 -9.840
61 HZ2 LYS 7 2HZ LYS 7 -4.988 -5.446 -11.037
62 HZ3 LYS 7 3HZ LYS 7 -5.090 -4.619 -9.556
63 H GLY 8 H GLY 8 -5.766 -3.922 -6.682
64 HA2 GLY 8 2HA GLY 8 -3.395 -2.565 -5.956
65 HA3 GLY 8 1HA GLY 8 -4.625 -1.958 -7.070
66 H ALA 9 H ALA 9 -6.665 -2.290 -4.841
67 HA ALA 9 HA ALA 9 -6.485 0.389 -3.843
68 HB1 ALA 9 1HB ALA 9 -8.624 -0.865 -4.361
69 HB2 ALA 9 2HB ALA 9 -8.594 -0.042 -2.802
70 HB3 ALA 9 3HB ALA 9 -8.349 -1.786 -2.882
71 H ALA 10 H ALA 10 -6.383 -2.810 -2.261
72 HA ALA 10 HA ALA 10 -5.876 -1.924 0.340
73 HB1 ALA 10 1HB ALA 10 -5.047 -4.469 -1.068
74 HB2 ALA 10 2HB ALA 10 -6.464 -4.223 -0.045
75 HB3 ALA 10 3HB ALA 10 -4.849 -4.201 0.664
76 H LYS 11 H LYS 11 -3.744 -2.258 -2.411
77 HA LYS 11 HA LYS 11 -1.276 -2.190 -1.040
78 HB2 LYS 11 2HB LYS 11 -2.129 -1.480 -3.841
79 HB3 LYS 11 1HB LYS 11 -0.462 -1.328 -3.309
80 HG2 LYS 11 2HG LYS 11 -1.968 -3.902 -2.872
81 HG3 LYS 11 1HG LYS 11 -1.211 -3.560 -4.434
82 HD2 LYS 11 2HD LYS 11 0.935 -3.069 -3.093
83 HD3 LYS 11 1HD LYS 11 0.123 -3.846 -1.734
84 HE2 LYS 11 2HE LYS 11 -0.324 -5.801 -3.362
85 HE3 LYS 11 1HE LYS 11 0.900 -5.052 -4.388
86 HZ1 LYS 11 1HZ LYS 11 1.664 -5.282 -1.620
87 HZ2 LYS 11 2HZ LYS 11 2.534 -5.675 -3.024
88 HZ3 LYS 11 3HZ LYS 11 1.411 -6.775 -2.381
89 H ASP 12 H ASP 12 -3.444 0.324 -2.235
90 HA ASP 12 HA ASP 12 -1.761 2.544 -1.989
91 HB2 ASP 12 2HB ASP 12 -3.982 2.610 -3.064
92 HB3 ASP 12 1HB ASP 12 -4.743 2.411 -1.479
93 H ILE 13 H ILE 13 -3.985 1.129 0.415
94 HA ILE 13 HA ILE 13 -3.240 2.964 2.481
95 HB ILE 13 HB ILE 13 -4.640 0.283 2.614
96 HG12 ILE 13 2HG1 ILE 13 -6.485 2.212 3.234
97 HG13 ILE 13 1HG1 ILE 13 -5.487 3.082 2.064
98 HG21 ILE 13 1HG2 ILE 13 -3.726 0.697 4.778
99 HG22 ILE 13 2HG2 ILE 13 -5.403 1.233 4.863
100 HG23 ILE 13 3HG2 ILE 13 -4.108 2.416 4.691
101 HD11 ILE 13 1HD1 ILE 13 -5.716 0.938 0.609
102 HD12 ILE 13 2HD1 ILE 13 -7.104 2.020 0.719
103 HD13 ILE 13 3HD1 ILE 13 -7.063 0.540 1.677
104 H ALA 14 H ALA 14 -2.453 -0.453 1.837
105 HA ALA 14 HA ALA 14 -0.756 -0.845 4.038
106 HB1 ALA 14 1HB ALA 14 -1.580 -2.712 2.709
107 HB2 ALA 14 2HB ALA 14 0.184 -2.722 2.712
108 HB3 ALA 14 3HB ALA 14 -0.692 -2.131 1.298
109 H GLY 15 H GLY 15 0.116 -0.093 0.656
110 HA2 GLY 15 2HA GLY 15 2.871 0.227 1.081
111 HA3 GLY 15 1HA GLY 15 1.956 0.948 -0.248
112 H HIS 16 H HIS 16 0.376 2.054 2.340
113 HA HIS 16 HA HIS 16 1.603 4.655 2.196
114 HB2 HIS 16 2HB HIS 16 -0.915 4.016 2.521
115 HB3 HIS 16 1HB HIS 16 -0.463 3.938 4.218
116 HD2 HIS 16 2HD HIS 16 -1.210 6.612 1.529
117 HE1 HIS 16 1HE HIS 16 0.262 8.656 4.917
118 HE2 HIS 16 2HE HIS 16 -0.844 8.942 2.648
119 H LEU 17 H LEU 17 1.204 2.182 4.717
120 HA LEU 17 HA LEU 17 2.560 3.588 6.756
121 HB2 LEU 17 2HB LEU 17 1.141 1.698 7.295
122 HB3 LEU 17 1HB LEU 17 2.152 0.617 6.330
123 HG LEU 17 HG LEU 17 4.034 0.954 7.846
124 HD11 LEU 17 1HD1 LEU 17 2.199 3.030 9.030
125 HD12 LEU 17 2HD1 LEU 17 3.901 3.177 8.589
126 HD13 LEU 17 3HD1 LEU 17 3.439 2.271 10.028
127 HD21 LEU 17 1HD2 LEU 17 1.386 0.305 9.160
128 HD22 LEU 17 2HD2 LEU 17 2.926 0.109 9.996
129 HD23 LEU 17 3HD2 LEU 17 2.591 -0.821 8.535
130 H ALA 18 H ALA 18 3.677 1.157 4.413
131 HA ALA 18 HA ALA 18 6.294 0.833 5.257
132 HB1 ALA 18 1HB ALA 18 5.294 -0.474 3.434
133 HB2 ALA 18 2HB ALA 18 6.817 0.252 2.922
134 HB3 ALA 18 3HB ALA 18 5.286 0.958 2.405
135 H SER 19 H SER 19 4.809 3.574 3.725
136 HA SER 19 HA SER 19 6.981 4.874 2.584
137 HB2 SER 19 2HB SER 19 4.544 5.596 2.558
138 HB3 SER 19 1HB SER 19 4.817 6.274 4.161
139 HG SER 19 HG SER 19 6.598 6.877 2.079
140 H LYS 20 H LYS 20 5.957 4.762 5.967
141 HA LYS 20 HA LYS 20 7.777 6.671 6.961
142 HB2 LYS 20 2HB LYS 20 5.881 4.777 8.026
143 HB3 LYS 20 1HB LYS 20 7.363 4.753 8.988
144 HG2 LYS 20 2HG LYS 20 5.932 6.442 9.936
145 HG3 LYS 20 1HG LYS 20 7.222 7.283 9.080
146 HD2 LYS 20 2HD LYS 20 5.385 8.438 8.260
147 HD3 LYS 20 1HD LYS 20 5.496 7.159 7.053
148 HE2 LYS 20 2HE LYS 20 3.217 7.149 7.676
149 HE3 LYS 20 1HE LYS 20 3.912 5.827 8.614
150 HZ1 LYS 20 1HZ LYS 20 2.532 7.983 9.597
151 HZ2 LYS 20 2HZ LYS 20 4.155 8.313 9.976
152 HZ3 LYS 20 3HZ LYS 20 3.435 6.865 10.498
153 H VAL 21 H VAL 21 7.974 3.115 6.849
154 HA VAL 21 HA VAL 21 10.605 2.958 7.902
155 HB VAL 21 HB VAL 21 9.320 0.941 6.059
156 HG11 VAL 21 1HG1 VAL 21 11.209 0.665 8.417
157 HG12 VAL 21 2HG1 VAL 21 11.699 0.612 6.724
158 HG13 VAL 21 3HG1 VAL 21 10.644 -0.640 7.376
159 HG21 VAL 21 1HG2 VAL 21 7.651 1.481 7.721
160 HG22 VAL 21 2HG2 VAL 21 8.856 1.468 9.009
161 HG23 VAL 21 3HG2 VAL 21 8.407 -0.036 8.207
162 H MET 22 H MET 22 9.325 3.313 4.644
163 HA MET 22 HA MET 22 11.559 2.667 3.127
164 HB2 MET 22 2HB MET 22 9.091 3.618 2.545
165 HB3 MET 22 1HB MET 22 10.041 5.077 2.274
166 HG2 MET 22 2HG MET 22 11.519 3.852 0.737
167 HG3 MET 22 1HG MET 22 10.611 2.363 1.034
168 HE1 MET 22 1HE MET 22 10.317 6.091 -0.079
169 HE2 MET 22 2HE MET 22 9.657 5.842 -1.692
170 HE3 MET 22 3HE MET 22 11.201 5.114 -1.259
171 H ASN 23 H ASN 23 10.712 5.760 4.651
172 HA ASN 23 HA ASN 23 12.967 7.195 3.731
173 HB2 ASN 23 2HB ASN 23 12.051 8.923 4.882
174 HB3 ASN 23 1HB ASN 23 10.668 7.840 5.051
175 HD21 ASN 23 1HD2 ASN 23 13.730 8.735 6.734
176 HD22 ASN 23 2HD2 ASN 23 13.128 8.433 8.292
177 H LYS 24 H LYS 24 12.455 5.017 6.416
178 HA LYS 24 HA LYS 24 14.843 5.731 7.835
179 HB2 LYS 24 2HB LYS 24 12.706 4.561 8.724
180 HB3 LYS 24 1HB LYS 24 13.458 3.102 8.101
181 HG2 LYS 24 2HG LYS 24 14.520 2.997 10.109
182 HG3 LYS 24 1HG LYS 24 15.556 4.266 9.463
183 HD2 LYS 24 2HD LYS 24 12.987 4.772 10.997
184 HD3 LYS 24 1HD LYS 24 14.599 4.825 11.708
185 HE2 LYS 24 2HE LYS 24 15.208 6.564 9.975
186 HE3 LYS 24 1HE LYS 24 13.504 6.609 9.519
187 HZ1 LYS 24 1HZ LYS 24 13.268 8.090 11.137
188 HZ2 LYS 24 2HZ LYS 24 14.810 7.773 11.777
189 HZ3 LYS 24 3HZ LYS 24 13.484 6.817 12.238
190 H LEU 25 H LEU 25 13.944 2.742 6.108
191 HA LEU 25 HA LEU 25 16.574 2.600 4.881
192 HB2 LEU 25 2HB LEU 25 17.115 0.393 5.810
193 HB3 LEU 25 1HB LEU 25 16.983 1.602 7.094
194 HG LEU 25 HG LEU 25 14.385 0.695 6.923
195 HD11 LEU 25 1HD1 LEU 25 16.233 -1.669 6.469
196 HD12 LEU 25 2HD1 LEU 25 15.005 -1.089 5.345
197 HD13 LEU 25 3HD1 LEU 25 14.526 -1.780 6.895
198 HD21 LEU 25 1HD2 LEU 25 15.611 1.013 9.002
199 HD22 LEU 25 2HD2 LEU 25 16.668 -0.348 8.627
200 HD23 LEU 25 3HD2 LEU 25 14.962 -0.628 8.975
201 HN1 NH2 26 HN1 NH2 26 13.244 1.876 4.925
202 HN2 NH2 26 HN2 NH2 26 13.219 0.828 3.570
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -11.667 -9.705 -13.904
2 H2 GLY 1 2HT GLY 1 -12.938 -8.656 -13.488
3 H3 GLY 1 3HT GLY 1 -12.199 -9.614 -12.296
4 HA2 GLY 1 2HA GLY 1 -10.126 -8.415 -12.558
5 HA3 GLY 1 1HA GLY 1 -10.883 -7.426 -13.816
6 H VAL 2 H VAL 2 -13.469 -7.295 -12.536
7 HA VAL 2 HA VAL 2 -13.204 -4.961 -11.028
8 HB VAL 2 HB VAL 2 -15.477 -6.947 -10.826
9 HG11 VAL 2 1HG1 VAL 2 -15.266 -3.948 -10.427
10 HG12 VAL 2 2HG1 VAL 2 -15.595 -5.154 -9.183
11 HG13 VAL 2 3HG1 VAL 2 -16.784 -4.843 -10.448
12 HG21 VAL 2 1HG2 VAL 2 -14.925 -6.445 -13.188
13 HG22 VAL 2 2HG2 VAL 2 -15.012 -4.719 -12.836
14 HG23 VAL 2 3HG2 VAL 2 -16.462 -5.716 -12.722
15 H VAL 3 H VAL 3 -13.232 -8.334 -10.039
16 HA VAL 3 HA VAL 3 -13.478 -7.834 -7.236
17 HB VAL 3 HB VAL 3 -12.223 -10.254 -8.540
18 HG11 VAL 3 1HG1 VAL 3 -11.979 -10.183 -6.126
19 HG12 VAL 3 2HG1 VAL 3 -13.230 -11.362 -6.523
20 HG13 VAL 3 3HG1 VAL 3 -13.681 -9.765 -5.927
21 HG21 VAL 3 1HG2 VAL 3 -14.390 -9.764 -9.613
22 HG22 VAL 3 2HG2 VAL 3 -15.154 -9.645 -8.028
23 HG23 VAL 3 3HG2 VAL 3 -14.515 -11.192 -8.584
24 H ASP 4 H ASP 4 -10.738 -8.397 -9.416
25 HA ASP 4 HA ASP 4 -8.726 -8.407 -7.431
26 HB2 ASP 4 2HB ASP 4 -7.266 -8.601 -9.184
27 HB3 ASP 4 1HB ASP 4 -8.750 -8.975 -10.055
28 H ILE 5 H ILE 5 -10.015 -5.833 -9.499
29 HA ILE 5 HA ILE 5 -8.336 -3.746 -8.795
30 HB ILE 5 HB ILE 5 -11.304 -3.600 -9.306
31 HG12 ILE 5 2HG1 ILE 5 -9.367 -4.668 -10.961
32 HG13 ILE 5 1HG1 ILE 5 -10.901 -3.979 -11.499
33 HG21 ILE 5 1HG2 ILE 5 -10.688 -1.307 -10.152
34 HG22 ILE 5 2HG2 ILE 5 -9.093 -1.549 -9.435
35 HG23 ILE 5 3HG2 ILE 5 -10.526 -1.518 -8.409
36 HD11 ILE 5 1HD1 ILE 5 -8.862 -3.057 -12.657
37 HD12 ILE 5 2HD1 ILE 5 -8.385 -2.347 -11.115
38 HD13 ILE 5 3HD1 ILE 5 -9.886 -1.841 -11.896
39 H LEU 6 H LEU 6 -11.108 -5.055 -7.032
40 HA LEU 6 HA LEU 6 -11.347 -2.997 -5.128
41 HB2 LEU 6 2HB LEU 6 -12.970 -4.307 -4.224
42 HB3 LEU 6 1HB LEU 6 -12.754 -5.253 -5.697
43 HG LEU 6 HG LEU 6 -10.942 -6.546 -4.362
44 HD11 LEU 6 1HD1 LEU 6 -11.675 -4.631 -2.395
45 HD12 LEU 6 2HD1 LEU 6 -10.600 -6.012 -2.197
46 HD13 LEU 6 3HD1 LEU 6 -12.319 -6.176 -1.845
47 HD21 LEU 6 1HD2 LEU 6 -12.792 -7.907 -3.218
48 HD22 LEU 6 2HD2 LEU 6 -12.956 -7.663 -4.957
49 HD23 LEU 6 3HD2 LEU 6 -13.914 -6.694 -3.835
50 H LYS 7 H LYS 7 -9.189 -5.757 -5.340
51 HA LYS 7 HA LYS 7 -8.212 -5.539 -2.661
52 HB2 LYS 7 2HB LYS 7 -7.816 -7.656 -3.395
53 HB3 LYS 7 1HB LYS 7 -7.606 -7.145 -5.060
54 HG2 LYS 7 2HG LYS 7 -5.512 -6.319 -3.085
55 HG3 LYS 7 1HG LYS 7 -5.547 -8.005 -3.590
56 HD2 LYS 7 2HD LYS 7 -5.012 -7.522 -5.786
57 HD3 LYS 7 1HD LYS 7 -5.744 -5.921 -5.728
58 HE2 LYS 7 2HE LYS 7 -3.338 -5.645 -5.828
59 HE3 LYS 7 1HE LYS 7 -3.868 -5.198 -4.207
60 HZ1 LYS 7 1HZ LYS 7 -2.903 -7.911 -4.909
61 HZ2 LYS 7 2HZ LYS 7 -3.170 -7.273 -3.357
62 HZ3 LYS 7 3HZ LYS 7 -1.887 -6.693 -4.308
63 H GLY 8 H GLY 8 -7.244 -4.292 -5.808
64 HA2 GLY 8 2HA GLY 8 -4.701 -3.339 -5.300
65 HA3 GLY 8 1HA GLY 8 -5.857 -2.536 -6.368
66 H ALA 9 H ALA 9 -7.652 -2.358 -3.848
67 HA ALA 9 HA ALA 9 -7.032 0.328 -3.199
68 HB1 ALA 9 1HB ALA 9 -9.301 -0.428 -2.982
69 HB2 ALA 9 2HB ALA 9 -8.731 -0.012 -1.366
70 HB3 ALA 9 3HB ALA 9 -8.828 -1.703 -1.859
71 H ALA 10 H ALA 10 -6.717 -2.666 -1.281
72 HA ALA 10 HA ALA 10 -5.506 -1.501 0.968
73 HB1 ALA 10 1HB ALA 10 -4.949 -4.292 -0.039
74 HB2 ALA 10 2HB ALA 10 -6.458 -3.850 0.758
75 HB3 ALA 10 3HB ALA 10 -4.930 -3.717 1.628
76 H LYS 11 H LYS 11 -4.205 -2.475 -2.125
77 HA LYS 11 HA LYS 11 -1.473 -2.600 -1.455
78 HB2 LYS 11 2HB LYS 11 -2.649 -3.290 -3.643
79 HB3 LYS 11 1HB LYS 11 -2.489 -1.597 -4.107
80 HG2 LYS 11 2HG LYS 11 -0.054 -1.716 -3.761
81 HG3 LYS 11 1HG LYS 11 -0.204 -3.410 -3.270
82 HD2 LYS 11 2HD LYS 11 -1.334 -3.792 -5.552
83 HD3 LYS 11 1HD LYS 11 -0.708 -2.202 -5.995
84 HE2 LYS 11 2HE LYS 11 0.979 -3.682 -6.722
85 HE3 LYS 11 1HE LYS 11 1.580 -3.102 -5.168
86 HZ1 LYS 11 1HZ LYS 11 1.759 -5.513 -5.375
87 HZ2 LYS 11 2HZ LYS 11 0.078 -5.629 -5.592
88 HZ3 LYS 11 3HZ LYS 11 0.711 -5.079 -4.115
89 H ASP 12 H ASP 12 -3.561 0.116 -2.323
90 HA ASP 12 HA ASP 12 -1.593 2.077 -2.699
91 HB2 ASP 12 2HB ASP 12 -3.903 2.502 -3.292
92 HB3 ASP 12 1HB ASP 12 -4.403 2.331 -1.605
93 H ILE 13 H ILE 13 -3.321 1.117 0.265
94 HA ILE 13 HA ILE 13 -1.873 2.952 1.931
95 HB ILE 13 HB ILE 13 -3.575 0.542 2.604
96 HG12 ILE 13 2HG1 ILE 13 -4.947 2.697 3.482
97 HG13 ILE 13 1HG1 ILE 13 -4.072 3.459 2.150
98 HG21 ILE 13 1HG2 ILE 13 -2.136 0.852 4.469
99 HG22 ILE 13 2HG2 ILE 13 -3.615 1.717 4.891
100 HG23 ILE 13 3HG2 ILE 13 -2.201 2.610 4.327
101 HD11 ILE 13 1HD1 ILE 13 -6.266 2.561 1.418
102 HD12 ILE 13 2HD1 ILE 13 -5.759 0.946 1.916
103 HD13 ILE 13 3HD1 ILE 13 -4.927 1.764 0.594
104 H ALA 14 H ALA 14 -1.704 -0.548 1.327
105 HA ALA 14 HA ALA 14 0.280 -1.241 3.139
106 HB1 ALA 14 1HB ALA 14 -1.037 -2.791 1.631
107 HB2 ALA 14 2HB ALA 14 0.679 -3.169 1.781
108 HB3 ALA 14 3HB ALA 14 0.078 -2.354 0.337
109 H GLY 15 H GLY 15 0.745 -0.314 -0.284
110 HA2 GLY 15 2HA GLY 15 3.558 -0.275 -0.219
111 HA3 GLY 15 1HA GLY 15 2.551 0.597 -1.380
112 H HIS 16 H HIS 16 1.183 2.337 0.255
113 HA HIS 16 HA HIS 16 2.953 4.466 0.568
114 HB2 HIS 16 2HB HIS 16 0.516 4.720 0.356
115 HB3 HIS 16 1HB HIS 16 0.333 4.048 1.969
116 HD2 HIS 16 2HD HIS 16 -0.090 6.189 3.658
117 HE1 HIS 16 1HE HIS 16 2.719 8.848 1.964
118 HE2 HIS 16 2HE HIS 16 1.024 8.544 3.831
119 H LEU 17 H LEU 17 2.116 1.886 2.743
120 HA LEU 17 HA LEU 17 3.030 3.107 5.148
121 HB2 LEU 17 2HB LEU 17 1.518 1.083 4.976
122 HB3 LEU 17 1HB LEU 17 2.950 0.147 4.541
123 HG LEU 17 HG LEU 17 4.033 0.935 6.670
124 HD11 LEU 17 1HD1 LEU 17 2.101 1.648 8.378
125 HD12 LEU 17 2HD1 LEU 17 1.375 2.296 6.907
126 HD13 LEU 17 3HD1 LEU 17 2.970 2.846 7.421
127 HD21 LEU 17 1HD2 LEU 17 1.424 -0.603 6.834
128 HD22 LEU 17 2HD2 LEU 17 2.603 -0.531 8.144
129 HD23 LEU 17 3HD2 LEU 17 3.040 -1.271 6.604
130 H ALA 18 H ALA 18 4.580 1.225 2.612
131 HA ALA 18 HA ALA 18 6.996 0.620 3.906
132 HB1 ALA 18 1HB ALA 18 6.432 1.170 0.985
133 HB2 ALA 18 2HB ALA 18 6.439 -0.402 1.783
134 HB3 ALA 18 3HB ALA 18 7.943 0.499 1.597
135 H SER 19 H SER 19 5.845 3.563 2.395
136 HA SER 19 HA SER 19 8.249 4.949 2.071
137 HB2 SER 19 2HB SER 19 6.075 5.766 1.236
138 HB3 SER 19 1HB SER 19 5.554 6.063 2.892
139 HG SER 19 HG SER 19 6.379 7.961 2.042
140 H LYS 20 H LYS 20 6.233 4.482 4.928
141 HA LYS 20 HA LYS 20 7.542 6.313 6.624
142 HB2 LYS 20 2HB LYS 20 5.457 4.394 6.833
143 HB3 LYS 20 1HB LYS 20 6.614 4.054 8.124
144 HG2 LYS 20 2HG LYS 20 5.099 5.643 9.044
145 HG3 LYS 20 1HG LYS 20 6.546 6.564 8.641
146 HD2 LYS 20 2HD LYS 20 4.904 7.921 7.705
147 HD3 LYS 20 1HD LYS 20 5.313 6.905 6.322
148 HE2 LYS 20 2HE LYS 20 3.411 5.463 6.742
149 HE3 LYS 20 1HE LYS 20 3.058 6.295 8.256
150 HZ1 LYS 20 1HZ LYS 20 1.635 7.045 6.435
151 HZ2 LYS 20 2HZ LYS 20 3.005 7.548 5.564
152 HZ3 LYS 20 3HZ LYS 20 2.603 8.305 7.031
153 H VAL 21 H VAL 21 7.957 2.791 6.276
154 HA VAL 21 HA VAL 21 10.114 2.546 8.071
155 HB VAL 21 HB VAL 21 9.534 0.842 5.637
156 HG11 VAL 21 1HG1 VAL 21 11.707 0.351 6.573
157 HG12 VAL 21 2HG1 VAL 21 10.601 -0.917 7.099
158 HG13 VAL 21 3HG1 VAL 21 11.059 0.371 8.213
159 HG21 VAL 21 1HG2 VAL 21 8.558 0.503 8.489
160 HG22 VAL 21 2HG2 VAL 21 8.127 -0.488 7.095
161 HG23 VAL 21 3HG2 VAL 21 7.576 1.186 7.193
162 H MET 22 H MET 22 9.968 3.373 4.655
163 HA MET 22 HA MET 22 12.719 3.096 4.072
164 HB2 MET 22 2HB MET 22 10.547 3.563 2.563
165 HB3 MET 22 1HB MET 22 11.153 5.213 2.681
166 HG2 MET 22 2HG MET 22 12.665 2.788 1.667
167 HG3 MET 22 1HG MET 22 12.153 4.194 0.725
168 HE1 MET 22 1HE MET 22 14.970 4.456 -0.061
169 HE2 MET 22 2HE MET 22 14.798 2.902 0.751
170 HE3 MET 22 3HE MET 22 16.115 3.981 1.202
171 H ASN 23 H ASN 23 10.785 5.923 5.044
172 HA ASN 23 HA ASN 23 12.838 7.820 4.983
173 HB2 ASN 23 2HB ASN 23 11.290 9.236 5.881
174 HB3 ASN 23 1HB ASN 23 10.190 7.933 5.431
175 HD21 ASN 23 1HD2 ASN 23 12.257 8.929 8.228
176 HD22 ASN 23 2HD2 ASN 23 11.167 8.379 9.406
177 H LYS 24 H LYS 24 11.804 5.627 7.571
178 HA LYS 24 HA LYS 24 13.585 6.679 9.533
179 HB2 LYS 24 2HB LYS 24 11.459 5.212 9.838
180 HB3 LYS 24 1HB LYS 24 12.570 3.875 9.578
181 HG2 LYS 24 2HG LYS 24 12.693 4.102 11.893
182 HG3 LYS 24 1HG LYS 24 14.044 5.106 11.376
183 HD2 LYS 24 2HD LYS 24 13.035 6.666 12.721
184 HD3 LYS 24 1HD LYS 24 12.049 6.949 11.287
185 HE2 LYS 24 2HE LYS 24 10.355 5.378 12.116
186 HE3 LYS 24 1HE LYS 24 11.352 5.031 13.529
187 HZ1 LYS 24 1HZ LYS 24 9.456 6.928 13.432
188 HZ2 LYS 24 2HZ LYS 24 10.847 7.836 13.075
189 HZ3 LYS 24 3HZ LYS 24 10.764 6.934 14.513
190 H LEU 25 H LEU 25 13.641 3.522 7.876
191 HA LEU 25 HA LEU 25 16.437 3.741 7.259
192 HB2 LEU 25 2HB LEU 25 17.264 1.983 8.705
193 HB3 LEU 25 1HB LEU 25 16.513 3.240 9.696
194 HG LEU 25 HG LEU 25 14.368 1.584 9.191
195 HD11 LEU 25 1HD1 LEU 25 15.129 -0.717 9.592
196 HD12 LEU 25 2HD1 LEU 25 16.807 -0.175 9.600
197 HD13 LEU 25 3HD1 LEU 25 15.859 -0.086 8.116
198 HD21 LEU 25 1HD2 LEU 25 16.368 1.458 11.470
199 HD22 LEU 25 2HD2 LEU 25 14.747 0.764 11.521
200 HD23 LEU 25 3HD2 LEU 25 14.955 2.510 11.375
201 HN1 NH2 26 HN1 NH2 26 13.584 1.606 7.573
202 HN2 NH2 26 HN2 NH2 26 13.954 0.662 6.192
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -12.392 -8.991 -13.971
2 H2 GLY 1 2HT GLY 1 -12.702 -7.353 -14.296
3 H3 GLY 1 3HT GLY 1 -13.368 -8.090 -12.917
4 HA2 GLY 1 2HA GLY 1 -10.795 -8.561 -12.467
5 HA3 GLY 1 1HA GLY 1 -10.698 -7.037 -13.361
6 H VAL 2 H VAL 2 -13.686 -7.340 -11.865
7 HA VAL 2 HA VAL 2 -13.439 -5.119 -10.219
8 HB VAL 2 HB VAL 2 -15.264 -7.472 -9.687
9 HG11 VAL 2 1HG1 VAL 2 -15.192 -5.702 -7.954
10 HG12 VAL 2 2HG1 VAL 2 -16.746 -5.725 -8.788
11 HG13 VAL 2 3HG1 VAL 2 -15.549 -4.492 -9.186
12 HG21 VAL 2 1HG2 VAL 2 -15.444 -6.878 -12.041
13 HG22 VAL 2 2HG2 VAL 2 -15.526 -5.163 -11.639
14 HG23 VAL 2 3HG2 VAL 2 -16.852 -6.238 -11.192
15 H VAL 3 H VAL 3 -12.737 -8.503 -9.542
16 HA VAL 3 HA VAL 3 -12.397 -8.196 -6.726
17 HB VAL 3 HB VAL 3 -11.087 -10.292 -8.461
18 HG11 VAL 3 1HG1 VAL 3 -12.103 -10.258 -5.602
19 HG12 VAL 3 2HG1 VAL 3 -10.412 -10.250 -6.102
20 HG13 VAL 3 3HG1 VAL 3 -11.418 -11.665 -6.415
21 HG21 VAL 3 1HG2 VAL 3 -13.922 -10.189 -7.378
22 HG22 VAL 3 2HG2 VAL 3 -13.176 -11.604 -8.121
23 HG23 VAL 3 3HG2 VAL 3 -13.458 -10.150 -9.080
24 H ASP 4 H ASP 4 -10.186 -8.124 -9.495
25 HA ASP 4 HA ASP 4 -7.769 -7.972 -8.078
26 HB2 ASP 4 2HB ASP 4 -6.822 -7.665 -10.129
27 HB3 ASP 4 1HB ASP 4 -8.433 -8.083 -10.702
28 H ILE 5 H ILE 5 -9.967 -5.424 -9.185
29 HA ILE 5 HA ILE 5 -8.499 -3.171 -8.515
30 HB ILE 5 HB ILE 5 -11.474 -3.566 -8.222
31 HG12 ILE 5 2HG1 ILE 5 -9.943 -3.924 -10.495
32 HG13 ILE 5 1HG1 ILE 5 -11.657 -3.500 -10.474
33 HG21 ILE 5 1HG2 ILE 5 -9.742 -1.104 -8.468
34 HG22 ILE 5 2HG2 ILE 5 -10.804 -1.538 -7.129
35 HG23 ILE 5 3HG2 ILE 5 -11.494 -1.091 -8.689
36 HD11 ILE 5 1HD1 ILE 5 -11.153 -1.157 -10.645
37 HD12 ILE 5 2HD1 ILE 5 -10.217 -1.992 -11.885
38 HD13 ILE 5 3HD1 ILE 5 -9.431 -1.456 -10.402
39 H LEU 6 H LEU 6 -10.602 -5.152 -6.451
40 HA LEU 6 HA LEU 6 -10.333 -3.517 -4.143
41 HB2 LEU 6 2HB LEU 6 -11.827 -4.959 -3.242
42 HB3 LEU 6 1HB LEU 6 -11.913 -5.654 -4.860
43 HG LEU 6 HG LEU 6 -9.946 -7.154 -4.148
44 HD11 LEU 6 1HD1 LEU 6 -9.060 -6.855 -2.097
45 HD12 LEU 6 2HD1 LEU 6 -10.624 -7.206 -1.364
46 HD13 LEU 6 3HD1 LEU 6 -10.198 -5.548 -1.782
47 HD21 LEU 6 1HD2 LEU 6 -11.501 -8.700 -2.918
48 HD22 LEU 6 2HD2 LEU 6 -12.189 -8.038 -4.401
49 HD23 LEU 6 3HD2 LEU 6 -12.670 -7.381 -2.836
50 H LYS 7 H LYS 7 -8.431 -6.125 -5.501
51 HA LYS 7 HA LYS 7 -6.869 -6.697 -3.218
52 HB2 LYS 7 2HB LYS 7 -7.214 -7.860 -5.613
53 HB3 LYS 7 1HB LYS 7 -5.715 -7.002 -5.915
54 HG2 LYS 7 2HG LYS 7 -5.138 -9.190 -5.076
55 HG3 LYS 7 1HG LYS 7 -4.785 -8.022 -3.803
56 HD2 LYS 7 2HD LYS 7 -6.270 -9.001 -2.404
57 HD3 LYS 7 1HD LYS 7 -7.545 -8.903 -3.618
58 HE2 LYS 7 2HE LYS 7 -6.950 -11.256 -2.863
59 HE3 LYS 7 1HE LYS 7 -6.884 -10.989 -4.605
60 HZ1 LYS 7 1HZ LYS 7 -4.506 -10.701 -2.865
61 HZ2 LYS 7 2HZ LYS 7 -4.558 -10.843 -4.558
62 HZ3 LYS 7 3HZ LYS 7 -4.932 -12.180 -3.577
63 H GLY 8 H GLY 8 -6.167 -4.749 -6.123
64 HA2 GLY 8 2HA GLY 8 -3.680 -3.762 -5.210
65 HA3 GLY 8 1HA GLY 8 -4.661 -3.049 -6.494
66 H ALA 9 H ALA 9 -6.954 -2.861 -4.521
67 HA ALA 9 HA ALA 9 -6.740 -0.186 -3.823
68 HB1 ALA 9 1HB ALA 9 -8.831 -1.626 -3.823
69 HB2 ALA 9 2HB ALA 9 -8.681 -0.504 -2.470
70 HB3 ALA 9 3HB ALA 9 -8.321 -2.216 -2.241
71 H ALA 10 H ALA 10 -5.960 -3.063 -1.903
72 HA ALA 10 HA ALA 10 -5.335 -1.755 0.507
73 HB1 ALA 10 1HB ALA 10 -3.929 -3.816 0.944
74 HB2 ALA 10 2HB ALA 10 -4.350 -4.353 -0.682
75 HB3 ALA 10 3HB ALA 10 -5.614 -4.132 0.528
76 H LYS 11 H LYS 11 -3.526 -2.206 -2.448
77 HA LYS 11 HA LYS 11 -0.929 -1.694 -1.515
78 HB2 LYS 11 2HB LYS 11 -1.721 -2.447 -3.860
79 HB3 LYS 11 1HB LYS 11 -1.934 -0.728 -4.186
80 HG2 LYS 11 2HG LYS 11 0.263 -0.987 -4.879
81 HG3 LYS 11 1HG LYS 11 0.530 -0.581 -3.178
82 HD2 LYS 11 2HD LYS 11 0.600 -3.013 -2.640
83 HD3 LYS 11 1HD LYS 11 0.422 -3.376 -4.357
84 HE2 LYS 11 2HE LYS 11 2.760 -3.471 -3.971
85 HE3 LYS 11 1HE LYS 11 2.498 -1.890 -4.707
86 HZ1 LYS 11 1HZ LYS 11 3.933 -1.841 -2.711
87 HZ2 LYS 11 2HZ LYS 11 2.613 -2.368 -1.779
88 HZ3 LYS 11 3HZ LYS 11 2.553 -0.864 -2.569
89 H ASP 12 H ASP 12 -3.553 0.485 -2.425
90 HA ASP 12 HA ASP 12 -2.114 2.898 -2.436
91 HB2 ASP 12 2HB ASP 12 -4.452 2.617 -3.258
92 HB3 ASP 12 1HB ASP 12 -4.988 2.492 -1.576
93 H ILE 13 H ILE 13 -3.801 1.211 0.200
94 HA ILE 13 HA ILE 13 -3.077 3.195 2.164
95 HB ILE 13 HB ILE 13 -4.207 0.402 2.456
96 HG12 ILE 13 2HG1 ILE 13 -6.163 2.111 3.242
97 HG13 ILE 13 1HG1 ILE 13 -5.354 3.131 2.047
98 HG21 ILE 13 1HG2 ILE 13 -3.646 2.603 4.454
99 HG22 ILE 13 2HG2 ILE 13 -3.117 0.921 4.512
100 HG23 ILE 13 3HG2 ILE 13 -4.816 1.320 4.769
101 HD11 ILE 13 1HD1 ILE 13 -7.149 1.795 1.003
102 HD12 ILE 13 2HD1 ILE 13 -6.372 0.313 1.559
103 HD13 ILE 13 3HD1 ILE 13 -5.570 1.336 0.368
104 H ALA 14 H ALA 14 -2.159 -0.220 1.656
105 HA ALA 14 HA ALA 14 -0.130 -0.308 3.593
106 HB1 ALA 14 1HB ALA 14 0.613 -2.322 2.504
107 HB2 ALA 14 2HB ALA 14 -0.182 -1.861 0.997
108 HB3 ALA 14 3HB ALA 14 -1.148 -2.283 2.412
109 H GLY 15 H GLY 15 -0.022 0.548 0.153
110 HA2 GLY 15 2HA GLY 15 2.720 0.755 -0.228
111 HA3 GLY 15 1HA GLY 15 1.522 1.757 -1.056
112 H HIS 16 H HIS 16 0.466 3.168 1.096
113 HA HIS 16 HA HIS 16 2.343 5.253 1.399
114 HB2 HIS 16 2HB HIS 16 -0.241 5.310 1.558
115 HB3 HIS 16 1HB HIS 16 0.025 4.879 3.242
116 HD2 HIS 16 2HD HIS 16 -0.383 7.366 4.450
117 HE1 HIS 16 1HE HIS 16 2.374 9.547 2.113
118 HE2 HIS 16 2HE HIS 16 0.815 9.662 4.114
119 H LEU 17 H LEU 17 1.500 2.506 3.406
120 HA LEU 17 HA LEU 17 2.849 3.387 5.758
121 HB2 LEU 17 2HB LEU 17 1.075 1.575 5.622
122 HB3 LEU 17 1HB LEU 17 2.322 0.523 4.947
123 HG LEU 17 HG LEU 17 3.720 1.225 7.038
124 HD11 LEU 17 1HD1 LEU 17 0.907 2.017 7.827
125 HD12 LEU 17 2HD1 LEU 17 2.378 2.982 7.943
126 HD13 LEU 17 3HD1 LEU 17 2.140 1.605 9.017
127 HD21 LEU 17 1HD2 LEU 17 2.675 -0.600 8.354
128 HD22 LEU 17 2HD2 LEU 17 2.852 -1.043 6.656
129 HD23 LEU 17 3HD2 LEU 17 1.275 -0.557 7.282
130 H ALA 18 H ALA 18 3.827 1.694 2.856
131 HA ALA 18 HA ALA 18 6.269 0.617 3.746
132 HB1 ALA 18 1HB ALA 18 5.753 1.695 0.972
133 HB2 ALA 18 2HB ALA 18 5.093 0.162 1.541
134 HB3 ALA 18 3HB ALA 18 6.839 0.387 1.441
135 H SER 19 H SER 19 5.492 3.782 2.330
136 HA SER 19 HA SER 19 8.086 4.808 2.147
137 HB2 SER 19 2HB SER 19 6.413 6.091 1.110
138 HB3 SER 19 1HB SER 19 5.391 6.087 2.545
139 HG SER 19 HG SER 19 6.423 8.072 2.378
140 H LYS 20 H LYS 20 5.888 4.589 4.888
141 HA LYS 20 HA LYS 20 7.239 6.282 6.670
142 HB2 LYS 20 2HB LYS 20 5.078 4.416 6.772
143 HB3 LYS 20 1HB LYS 20 6.158 4.086 8.131
144 HG2 LYS 20 2HG LYS 20 4.591 5.728 8.901
145 HG3 LYS 20 1HG LYS 20 6.105 6.586 8.621
146 HD2 LYS 20 2HD LYS 20 4.646 8.003 7.510
147 HD3 LYS 20 1HD LYS 20 5.062 6.917 6.187
148 HE2 LYS 20 2HE LYS 20 2.697 7.026 6.129
149 HE3 LYS 20 1HE LYS 20 3.040 5.505 6.954
150 HZ1 LYS 20 1HZ LYS 20 3.009 7.163 9.017
151 HZ2 LYS 20 2HZ LYS 20 1.618 6.367 8.453
152 HZ3 LYS 20 3HZ LYS 20 1.921 7.977 8.001
153 H VAL 21 H VAL 21 7.557 2.775 6.155
154 HA VAL 21 HA VAL 21 9.709 2.496 8.031
155 HB VAL 21 HB VAL 21 8.802 0.650 5.809
156 HG11 VAL 21 1HG1 VAL 21 11.008 0.009 6.461
157 HG12 VAL 21 2HG1 VAL 21 9.923 -1.058 7.350
158 HG13 VAL 21 3HG1 VAL 21 10.670 0.315 8.165
159 HG21 VAL 21 1HG2 VAL 21 8.085 0.857 8.749
160 HG22 VAL 21 2HG2 VAL 21 7.703 -0.544 7.748
161 HG23 VAL 21 3HG2 VAL 21 6.995 1.027 7.373
162 H MET 22 H MET 22 9.454 3.021 4.564
163 HA MET 22 HA MET 22 12.098 2.440 3.824
164 HB2 MET 22 2HB MET 22 9.911 3.146 2.446
165 HB3 MET 22 1HB MET 22 10.708 4.716 2.489
166 HG2 MET 22 2HG MET 22 12.789 3.633 1.613
167 HG3 MET 22 1HG MET 22 11.887 2.118 1.454
168 HE1 MET 22 1HE MET 22 13.015 5.224 -0.563
169 HE2 MET 22 2HE MET 22 12.043 5.767 0.803
170 HE3 MET 22 3HE MET 22 11.462 6.026 -0.841
171 H ASN 23 H ASN 23 10.618 5.511 4.841
172 HA ASN 23 HA ASN 23 12.834 7.165 4.574
173 HB2 ASN 23 2HB ASN 23 11.547 8.725 5.614
174 HB3 ASN 23 1HB ASN 23 10.278 7.518 5.401
175 HD21 ASN 23 1HD2 ASN 23 12.851 8.398 7.784
176 HD22 ASN 23 2HD2 ASN 23 11.926 7.980 9.144
177 H LYS 24 H LYS 24 12.043 4.840 7.074
178 HA LYS 24 HA LYS 24 14.089 5.722 8.894
179 HB2 LYS 24 2HB LYS 24 11.895 4.384 9.378
180 HB3 LYS 24 1HB LYS 24 12.893 2.996 8.975
181 HG2 LYS 24 2HG LYS 24 13.121 3.251 11.330
182 HG3 LYS 24 1HG LYS 24 14.603 3.906 10.643
183 HD2 LYS 24 2HD LYS 24 12.705 6.037 10.729
184 HD3 LYS 24 1HD LYS 24 12.687 5.238 12.299
185 HE2 LYS 24 2HE LYS 24 15.216 6.124 10.889
186 HE3 LYS 24 1HE LYS 24 14.394 7.065 12.127
187 HZ1 LYS 24 1HZ LYS 24 16.054 4.738 12.401
188 HZ2 LYS 24 2HZ LYS 24 14.592 4.622 13.259
189 HZ3 LYS 24 3HZ LYS 24 15.649 5.920 13.547
190 H LEU 25 H LEU 25 13.688 2.787 6.908
191 HA LEU 25 HA LEU 25 16.446 2.793 6.117
192 HB2 LEU 25 2HB LEU 25 17.188 0.814 7.268
193 HB3 LEU 25 1HB LEU 25 16.578 1.949 8.479
194 HG LEU 25 HG LEU 25 14.292 0.549 7.836
195 HD11 LEU 25 1HD1 LEU 25 14.759 -1.757 7.595
196 HD12 LEU 25 2HD1 LEU 25 16.454 -1.549 8.039
197 HD13 LEU 25 3HD1 LEU 25 15.876 -0.980 6.474
198 HD21 LEU 25 1HD2 LEU 25 15.110 1.098 10.103
199 HD22 LEU 25 2HD2 LEU 25 16.347 -0.152 9.959
200 HD23 LEU 25 3HD2 LEU 25 14.642 -0.600 9.996
201 HN1 NH2 26 HN1 NH2 26 13.278 1.258 6.192
202 HN2 NH2 26 HN2 NH2 26 13.496 0.338 4.763
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -9.953 -9.374 -12.961
2 H2 GLY 1 2HT GLY 1 -11.463 -9.417 -13.741
3 H3 GLY 1 3HT GLY 1 -11.345 -8.866 -12.138
4 HA2 GLY 1 2HA GLY 1 -9.604 -7.355 -13.760
5 HA3 GLY 1 1HA GLY 1 -11.229 -7.353 -14.461
6 H VAL 2 H VAL 2 -12.888 -6.309 -13.406
7 HA VAL 2 HA VAL 2 -12.324 -4.148 -11.749
8 HB VAL 2 HB VAL 2 -14.959 -5.629 -11.817
9 HG11 VAL 2 1HG1 VAL 2 -15.889 -3.410 -11.393
10 HG12 VAL 2 2HG1 VAL 2 -14.280 -2.692 -11.478
11 HG13 VAL 2 3HG1 VAL 2 -14.688 -3.784 -10.156
12 HG21 VAL 2 1HG2 VAL 2 -15.451 -4.040 -13.734
13 HG22 VAL 2 2HG2 VAL 2 -14.288 -5.311 -14.111
14 HG23 VAL 2 3HG2 VAL 2 -13.726 -3.673 -13.779
15 H VAL 3 H VAL 3 -13.099 -7.477 -10.935
16 HA VAL 3 HA VAL 3 -13.518 -7.020 -8.143
17 HB VAL 3 HB VAL 3 -12.674 -9.598 -9.479
18 HG11 VAL 3 1HG1 VAL 3 -14.282 -9.014 -6.973
19 HG12 VAL 3 2HG1 VAL 3 -12.600 -9.540 -7.001
20 HG13 VAL 3 3HG1 VAL 3 -13.870 -10.614 -7.587
21 HG21 VAL 3 1HG2 VAL 3 -15.432 -8.381 -9.124
22 HG22 VAL 3 2HG2 VAL 3 -15.128 -10.038 -9.644
23 HG23 VAL 3 3HG2 VAL 3 -14.615 -8.687 -10.657
24 H ASP 4 H ASP 4 -10.794 -8.421 -9.977
25 HA ASP 4 HA ASP 4 -9.043 -8.717 -7.812
26 HB2 ASP 4 2HB ASP 4 -8.854 -9.570 -10.249
27 HB3 ASP 4 1HB ASP 4 -8.080 -8.022 -10.550
28 H ILE 5 H ILE 5 -9.320 -6.046 -10.150
29 HA ILE 5 HA ILE 5 -7.301 -4.406 -9.202
30 HB ILE 5 HB ILE 5 -9.987 -3.557 -10.278
31 HG12 ILE 5 2HG1 ILE 5 -8.123 -5.198 -11.494
32 HG13 ILE 5 1HG1 ILE 5 -9.307 -4.196 -12.338
33 HG21 ILE 5 1HG2 ILE 5 -8.651 -1.565 -11.050
34 HG22 ILE 5 2HG2 ILE 5 -7.329 -2.143 -10.033
35 HG23 ILE 5 3HG2 ILE 5 -8.864 -1.676 -9.303
36 HD11 ILE 5 1HD1 ILE 5 -6.564 -3.219 -11.528
37 HD12 ILE 5 2HD1 ILE 5 -7.722 -2.407 -12.584
38 HD13 ILE 5 3HD1 ILE 5 -6.934 -3.893 -13.114
39 H LEU 6 H LEU 6 -10.475 -5.010 -7.847
40 HA LEU 6 HA LEU 6 -10.669 -2.762 -6.171
41 HB2 LEU 6 2HB LEU 6 -12.587 -3.738 -5.452
42 HB3 LEU 6 1HB LEU 6 -12.282 -4.889 -6.754
43 HG LEU 6 HG LEU 6 -10.919 -6.229 -5.022
44 HD11 LEU 6 1HD1 LEU 6 -10.696 -5.358 -2.955
45 HD12 LEU 6 2HD1 LEU 6 -12.444 -5.417 -2.748
46 HD13 LEU 6 3HD1 LEU 6 -11.683 -3.970 -3.405
47 HD21 LEU 6 1HD2 LEU 6 -13.101 -6.963 -5.839
48 HD22 LEU 6 2HD2 LEU 6 -13.916 -5.877 -4.714
49 HD23 LEU 6 3HD2 LEU 6 -13.001 -7.255 -4.102
50 H LYS 7 H LYS 7 -8.853 -5.736 -5.871
51 HA LYS 7 HA LYS 7 -8.315 -5.559 -3.083
52 HB2 LYS 7 2HB LYS 7 -6.946 -7.396 -3.416
53 HB3 LYS 7 1HB LYS 7 -7.998 -7.503 -4.824
54 HG2 LYS 7 2HG LYS 7 -6.182 -6.038 -5.996
55 HG3 LYS 7 1HG LYS 7 -5.138 -6.592 -4.686
56 HD2 LYS 7 2HD LYS 7 -5.677 -8.934 -5.266
57 HD3 LYS 7 1HD LYS 7 -6.706 -8.362 -6.581
58 HE2 LYS 7 2HE LYS 7 -4.799 -7.342 -7.694
59 HE3 LYS 7 1HE LYS 7 -3.746 -7.750 -6.338
60 HZ1 LYS 7 1HZ LYS 7 -3.787 -9.974 -6.856
61 HZ2 LYS 7 2HZ LYS 7 -3.817 -9.277 -8.404
62 HZ3 LYS 7 3HZ LYS 7 -5.249 -9.873 -7.711
63 H GLY 8 H GLY 8 -6.677 -4.393 -5.965
64 HA2 GLY 8 2HA GLY 8 -4.255 -3.525 -5.048
65 HA3 GLY 8 1HA GLY 8 -5.210 -2.613 -6.224
66 H ALA 9 H ALA 9 -7.348 -2.440 -4.014
67 HA ALA 9 HA ALA 9 -6.695 0.164 -3.116
68 HB1 ALA 9 1HB ALA 9 -9.017 -0.791 -3.367
69 HB2 ALA 9 2HB ALA 9 -8.730 0.061 -1.849
70 HB3 ALA 9 3HB ALA 9 -8.730 -1.702 -1.885
71 H ALA 10 H ALA 10 -6.770 -2.968 -1.414
72 HA ALA 10 HA ALA 10 -5.997 -2.090 1.112
73 HB1 ALA 10 1HB ALA 10 -5.261 -4.372 1.520
74 HB2 ALA 10 2HB ALA 10 -5.200 -4.692 -0.213
75 HB3 ALA 10 3HB ALA 10 -6.750 -4.399 0.575
76 H LYS 11 H LYS 11 -4.053 -2.767 -1.747
77 HA LYS 11 HA LYS 11 -1.508 -2.726 -0.547
78 HB2 LYS 11 2HB LYS 11 -1.935 -3.478 -2.869
79 HB3 LYS 11 1HB LYS 11 -2.270 -1.809 -3.331
80 HG2 LYS 11 2HG LYS 11 -0.040 -1.130 -2.986
81 HG3 LYS 11 1HG LYS 11 0.327 -2.539 -1.979
82 HD2 LYS 11 2HD LYS 11 0.103 -4.007 -3.951
83 HD3 LYS 11 1HD LYS 11 -0.257 -2.602 -4.957
84 HE2 LYS 11 2HE LYS 11 1.930 -1.698 -4.648
85 HE3 LYS 11 1HE LYS 11 2.284 -2.817 -3.331
86 HZ1 LYS 11 1HZ LYS 11 1.538 -4.095 -5.806
87 HZ2 LYS 11 2HZ LYS 11 2.822 -4.439 -4.748
88 HZ3 LYS 11 3HZ LYS 11 2.976 -3.201 -5.903
89 H ASP 12 H ASP 12 -3.612 -0.138 -1.690
90 HA ASP 12 HA ASP 12 -1.806 1.998 -1.610
91 HB2 ASP 12 2HB ASP 12 -4.110 2.115 -2.538
92 HB3 ASP 12 1HB ASP 12 -4.745 2.071 -0.888
93 H ILE 13 H ILE 13 -3.811 0.589 0.961
94 HA ILE 13 HA ILE 13 -2.962 2.474 2.954
95 HB ILE 13 HB ILE 13 -4.343 -0.209 3.154
96 HG12 ILE 13 2HG1 ILE 13 -6.134 1.603 4.019
97 HG13 ILE 13 1HG1 ILE 13 -5.200 2.658 2.953
98 HG21 ILE 13 1HG2 ILE 13 -4.866 0.675 5.515
99 HG22 ILE 13 2HG2 ILE 13 -3.529 1.798 5.262
100 HG23 ILE 13 3HG2 ILE 13 -3.238 0.059 5.238
101 HD11 ILE 13 1HD1 ILE 13 -5.542 1.101 1.086
102 HD12 ILE 13 2HD1 ILE 13 -7.095 1.591 1.761
103 HD13 ILE 13 3HD1 ILE 13 -6.430 0.004 2.143
104 H ALA 14 H ALA 14 -2.243 -0.976 2.381
105 HA ALA 14 HA ALA 14 -0.347 -1.320 4.394
106 HB1 ALA 14 1HB ALA 14 -0.634 -2.614 1.681
107 HB2 ALA 14 2HB ALA 14 -1.135 -3.253 3.246
108 HB3 ALA 14 3HB ALA 14 0.579 -3.124 2.854
109 H GLY 15 H GLY 15 0.091 -0.229 1.042
110 HA2 GLY 15 2HA GLY 15 2.889 -0.031 1.046
111 HA3 GLY 15 1HA GLY 15 1.805 0.911 0.017
112 H HIS 16 H HIS 16 0.401 2.356 1.923
113 HA HIS 16 HA HIS 16 2.005 4.570 2.361
114 HB2 HIS 16 2HB HIS 16 -0.064 5.338 2.778
115 HB3 HIS 16 1HB HIS 16 -0.654 3.712 3.094
116 HD2 HIS 16 2HD HIS 16 -0.918 3.063 5.819
117 HE1 HIS 16 1HE HIS 16 0.615 6.689 7.345
118 HE2 HIS 16 2HE HIS 16 -0.533 4.508 7.960
119 H LEU 17 H LEU 17 1.469 1.761 4.408
120 HA LEU 17 HA LEU 17 2.705 2.769 6.752
121 HB2 LEU 17 2HB LEU 17 1.233 0.687 6.520
122 HB3 LEU 17 1HB LEU 17 2.676 -0.130 5.912
123 HG LEU 17 HG LEU 17 3.779 0.915 8.097
124 HD11 LEU 17 1HD1 LEU 17 1.534 2.077 8.601
125 HD12 LEU 17 2HD1 LEU 17 2.292 1.197 9.928
126 HD13 LEU 17 3HD1 LEU 17 0.944 0.478 9.048
127 HD21 LEU 17 1HD2 LEU 17 1.995 -1.528 7.948
128 HD22 LEU 17 2HD2 LEU 17 3.041 -1.193 9.327
129 HD23 LEU 17 3HD2 LEU 17 3.744 -1.455 7.730
130 H ALA 18 H ALA 18 3.939 0.927 3.984
131 HA ALA 18 HA ALA 18 6.541 0.470 4.906
132 HB1 ALA 18 1HB ALA 18 7.118 0.020 2.643
133 HB2 ALA 18 2HB ALA 18 5.836 1.066 2.031
134 HB3 ALA 18 3HB ALA 18 5.430 -0.464 2.811
135 H SER 19 H SER 19 5.003 3.381 3.919
136 HA SER 19 HA SER 19 7.099 4.915 2.930
137 HB2 SER 19 2HB SER 19 4.642 5.562 3.169
138 HB3 SER 19 1HB SER 19 5.016 5.976 4.839
139 HG SER 19 HG SER 19 5.803 7.186 2.454
140 H LYS 20 H LYS 20 6.269 4.125 6.273
141 HA LYS 20 HA LYS 20 7.985 5.880 7.600
142 HB2 LYS 20 2HB LYS 20 6.307 3.754 8.313
143 HB3 LYS 20 1HB LYS 20 7.909 3.281 8.886
144 HG2 LYS 20 2HG LYS 20 6.995 4.523 10.683
145 HG3 LYS 20 1HG LYS 20 8.064 5.663 9.867
146 HD2 LYS 20 2HD LYS 20 6.163 6.976 10.031
147 HD3 LYS 20 1HD LYS 20 5.845 6.200 8.479
148 HE2 LYS 20 2HE LYS 20 3.838 5.986 9.783
149 HE3 LYS 20 1HE LYS 20 4.598 4.396 9.761
150 HZ1 LYS 20 1HZ LYS 20 4.991 6.382 11.929
151 HZ2 LYS 20 2HZ LYS 20 5.493 4.759 11.917
152 HZ3 LYS 20 3HZ LYS 20 3.839 5.139 11.990
153 H VAL 21 H VAL 21 8.613 2.628 6.325
154 HA VAL 21 HA VAL 21 11.319 2.513 7.212
155 HB VAL 21 HB VAL 21 9.998 1.010 4.939
156 HG11 VAL 21 1HG1 VAL 21 11.778 -0.675 5.499
157 HG12 VAL 21 2HG1 VAL 21 12.499 0.517 6.583
158 HG13 VAL 21 3HG1 VAL 21 12.417 0.836 4.850
159 HG21 VAL 21 1HG2 VAL 21 9.662 -0.754 6.663
160 HG22 VAL 21 2HG2 VAL 21 8.771 0.720 7.046
161 HG23 VAL 21 3HG2 VAL 21 10.276 0.354 7.890
162 H MET 22 H MET 22 9.805 3.335 4.101
163 HA MET 22 HA MET 22 12.067 3.695 2.545
164 HB2 MET 22 2HB MET 22 9.391 4.102 2.180
165 HB3 MET 22 1HB MET 22 9.977 5.763 2.195
166 HG2 MET 22 2HG MET 22 10.133 5.098 -0.077
167 HG3 MET 22 1HG MET 22 11.784 4.955 0.542
168 HE1 MET 22 1HE MET 22 12.442 3.487 -1.422
169 HE2 MET 22 2HE MET 22 10.817 3.569 -2.098
170 HE3 MET 22 3HE MET 22 11.615 2.008 -1.930
171 H ASN 23 H ASN 23 10.550 5.938 4.823
172 HA ASN 23 HA ASN 23 12.167 8.178 4.304
173 HB2 ASN 23 2HB ASN 23 10.010 7.987 5.708
174 HB3 ASN 23 1HB ASN 23 11.101 7.538 7.020
175 HD21 ASN 23 1HD2 ASN 23 10.534 9.591 8.132
176 HD22 ASN 23 2HD2 ASN 23 11.213 11.054 7.604
177 H LYS 24 H LYS 24 12.561 5.486 6.570
178 HA LYS 24 HA LYS 24 14.991 6.514 7.697
179 HB2 LYS 24 2HB LYS 24 13.261 4.810 8.683
180 HB3 LYS 24 1HB LYS 24 14.244 3.635 7.821
181 HG2 LYS 24 2HG LYS 24 15.362 3.672 9.855
182 HG3 LYS 24 1HG LYS 24 16.243 4.920 8.989
183 HD2 LYS 24 2HD LYS 24 15.750 5.985 11.016
184 HD3 LYS 24 1HD LYS 24 14.443 6.541 9.969
185 HE2 LYS 24 2HE LYS 24 13.086 5.784 11.639
186 HE3 LYS 24 1HE LYS 24 13.401 4.200 10.933
187 HZ1 LYS 24 1HZ LYS 24 14.828 3.640 12.576
188 HZ2 LYS 24 2HZ LYS 24 13.876 4.733 13.461
189 HZ3 LYS 24 3HZ LYS 24 15.369 5.228 12.821
190 H LEU 25 H LEU 25 14.300 3.703 5.613
191 HA LEU 25 HA LEU 25 16.749 4.176 4.113
192 HB2 LEU 25 2HB LEU 25 17.664 1.941 4.531
193 HB3 LEU 25 1HB LEU 25 17.533 2.853 6.040
194 HG LEU 25 HG LEU 25 15.063 1.628 5.911
195 HD11 LEU 25 1HD1 LEU 25 15.292 -0.619 5.190
196 HD12 LEU 25 2HD1 LEU 25 17.049 -0.497 5.093
197 HD13 LEU 25 3HD1 LEU 25 16.042 0.331 3.907
198 HD21 LEU 25 1HD2 LEU 25 16.034 0.044 7.602
199 HD22 LEU 25 2HD2 LEU 25 16.448 1.731 7.906
200 HD23 LEU 25 3HD2 LEU 25 17.638 0.648 7.184
201 HN1 NH2 26 HN1 NH2 26 13.742 2.368 4.583
202 HN2 NH2 26 HN2 NH2 26 13.597 1.858 2.954
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -10.031 -8.509 -12.309
2 H2 GLY 1 2HT GLY 1 -9.353 -7.395 -13.397
3 H3 GLY 1 3HT GLY 1 -10.021 -8.849 -13.971
4 HA2 GLY 1 2HA GLY 1 -11.450 -6.856 -14.325
5 HA3 GLY 1 1HA GLY 1 -12.216 -8.177 -13.428
6 H VAL 2 H VAL 2 -13.602 -6.315 -12.700
7 HA VAL 2 HA VAL 2 -12.668 -4.235 -11.067
8 HB VAL 2 HB VAL 2 -15.326 -5.672 -10.879
9 HG11 VAL 2 1HG1 VAL 2 -14.374 -2.924 -10.024
10 HG12 VAL 2 2HG1 VAL 2 -14.964 -4.216 -8.978
11 HG13 VAL 2 3HG1 VAL 2 -16.071 -3.400 -10.083
12 HG21 VAL 2 1HG2 VAL 2 -16.096 -3.906 -12.446
13 HG22 VAL 2 2HG2 VAL 2 -14.855 -4.923 -13.175
14 HG23 VAL 2 3HG2 VAL 2 -14.439 -3.317 -12.578
15 H VAL 3 H VAL 3 -13.386 -7.599 -10.354
16 HA VAL 3 HA VAL 3 -13.443 -7.434 -7.538
17 HB VAL 3 HB VAL 3 -12.457 -9.762 -9.201
18 HG11 VAL 3 1HG1 VAL 3 -13.351 -11.067 -7.278
19 HG12 VAL 3 2HG1 VAL 3 -13.721 -9.555 -6.450
20 HG13 VAL 3 3HG1 VAL 3 -12.046 -9.983 -6.796
21 HG21 VAL 3 1HG2 VAL 3 -14.815 -10.500 -9.190
22 HG22 VAL 3 2HG2 VAL 3 -14.648 -8.948 -10.008
23 HG23 VAL 3 3HG2 VAL 3 -15.278 -9.013 -8.362
24 H ASP 4 H ASP 4 -10.768 -8.315 -9.730
25 HA ASP 4 HA ASP 4 -8.781 -8.583 -7.778
26 HB2 ASP 4 2HB ASP 4 -7.317 -8.790 -9.538
27 HB3 ASP 4 1HB ASP 4 -8.830 -9.018 -10.409
28 H ILE 5 H ILE 5 -9.642 -5.751 -9.754
29 HA ILE 5 HA ILE 5 -7.765 -3.944 -8.814
30 HB ILE 5 HB ILE 5 -10.645 -3.371 -9.502
31 HG12 ILE 5 2HG1 ILE 5 -8.758 -4.609 -11.093
32 HG13 ILE 5 1HG1 ILE 5 -10.143 -3.688 -11.684
33 HG21 ILE 5 1HG2 ILE 5 -9.657 -1.464 -8.437
34 HG22 ILE 5 2HG2 ILE 5 -9.670 -1.145 -10.170
35 HG23 ILE 5 3HG2 ILE 5 -8.175 -1.639 -9.374
36 HD11 ILE 5 1HD1 ILE 5 -7.926 -2.997 -12.657
37 HD12 ILE 5 2HD1 ILE 5 -7.461 -2.446 -11.048
38 HD13 ILE 5 3HD1 ILE 5 -8.823 -1.692 -11.883
39 H LEU 6 H LEU 6 -10.661 -5.139 -7.248
40 HA LEU 6 HA LEU 6 -10.984 -3.159 -5.292
41 HB2 LEU 6 2HB LEU 6 -12.610 -4.526 -4.483
42 HB3 LEU 6 1HB LEU 6 -12.302 -5.453 -5.952
43 HG LEU 6 HG LEU 6 -10.523 -6.720 -4.577
44 HD11 LEU 6 1HD1 LEU 6 -10.170 -6.051 -2.453
45 HD12 LEU 6 2HD1 LEU 6 -11.838 -6.454 -2.058
46 HD13 LEU 6 3HD1 LEU 6 -11.430 -4.828 -2.598
47 HD21 LEU 6 1HD2 LEU 6 -13.414 -7.009 -3.706
48 HD22 LEU 6 2HD2 LEU 6 -12.185 -8.273 -3.738
49 HD23 LEU 6 3HD2 LEU 6 -12.787 -7.591 -5.249
50 H LYS 7 H LYS 7 -8.696 -5.782 -5.568
51 HA LYS 7 HA LYS 7 -7.826 -5.782 -2.851
52 HB2 LYS 7 2HB LYS 7 -6.290 -7.369 -3.539
53 HB3 LYS 7 1HB LYS 7 -7.492 -7.499 -4.819
54 HG2 LYS 7 2HG LYS 7 -6.055 -5.691 -6.032
55 HG3 LYS 7 1HG LYS 7 -4.784 -6.198 -4.918
56 HD2 LYS 7 2HD LYS 7 -5.116 -8.547 -5.667
57 HD3 LYS 7 1HD LYS 7 -6.323 -7.980 -6.825
58 HE2 LYS 7 2HE LYS 7 -4.614 -6.556 -7.904
59 HE3 LYS 7 1HE LYS 7 -3.408 -7.139 -6.756
60 HZ1 LYS 7 1HZ LYS 7 -4.577 -9.398 -7.783
61 HZ2 LYS 7 2HZ LYS 7 -3.041 -8.786 -8.174
62 HZ3 LYS 7 3HZ LYS 7 -4.389 -8.376 -9.124
63 H GLY 8 H GLY 8 -6.790 -4.140 -5.776
64 HA2 GLY 8 2HA GLY 8 -4.401 -3.003 -5.085
65 HA3 GLY 8 1HA GLY 8 -5.620 -2.154 -6.041
66 H ALA 9 H ALA 9 -7.481 -2.411 -3.637
67 HA ALA 9 HA ALA 9 -7.071 0.160 -2.564
68 HB1 ALA 9 1HB ALA 9 -9.247 -1.092 -2.601
69 HB2 ALA 9 2HB ALA 9 -8.862 -0.367 -1.040
70 HB3 ALA 9 3HB ALA 9 -8.630 -2.097 -1.291
71 H ALA 10 H ALA 10 -6.535 -3.049 -1.097
72 HA ALA 10 HA ALA 10 -5.448 -2.135 1.326
73 HB1 ALA 10 1HB ALA 10 -4.407 -4.429 1.430
74 HB2 ALA 10 2HB ALA 10 -5.026 -4.712 -0.197
75 HB3 ALA 10 3HB ALA 10 -6.147 -4.425 1.135
76 H LYS 11 H LYS 11 -4.040 -2.548 -1.844
77 HA LYS 11 HA LYS 11 -1.312 -2.559 -1.140
78 HB2 LYS 11 2HB LYS 11 -2.366 -3.030 -3.425
79 HB3 LYS 11 1HB LYS 11 -2.418 -1.280 -3.638
80 HG2 LYS 11 2HG LYS 11 0.005 -1.135 -3.296
81 HG3 LYS 11 1HG LYS 11 0.082 -2.879 -3.003
82 HD2 LYS 11 2HD LYS 11 -0.982 -3.143 -5.332
83 HD3 LYS 11 1HD LYS 11 -0.578 -1.444 -5.581
84 HE2 LYS 11 2HE LYS 11 1.265 -3.789 -5.205
85 HE3 LYS 11 1HE LYS 11 1.322 -2.516 -6.425
86 HZ1 LYS 11 1HZ LYS 11 2.995 -2.421 -4.520
87 HZ2 LYS 11 2HZ LYS 11 1.692 -1.906 -3.560
88 HZ3 LYS 11 3HZ LYS 11 2.168 -0.993 -4.912
89 H ASP 12 H ASP 12 -3.606 0.077 -1.633
90 HA ASP 12 HA ASP 12 -1.800 2.223 -1.682
91 HB2 ASP 12 2HB ASP 12 -4.303 2.263 -2.164
92 HB3 ASP 12 1HB ASP 12 -4.536 2.325 -0.412
93 H ILE 13 H ILE 13 -3.402 0.618 1.053
94 HA ILE 13 HA ILE 13 -2.263 2.348 3.030
95 HB ILE 13 HB ILE 13 -3.555 -0.380 3.241
96 HG12 ILE 13 2HG1 ILE 13 -5.236 1.332 4.465
97 HG13 ILE 13 1HG1 ILE 13 -4.492 2.467 3.335
98 HG21 ILE 13 1HG2 ILE 13 -3.749 0.330 5.700
99 HG22 ILE 13 2HG2 ILE 13 -2.508 1.529 5.339
100 HG23 ILE 13 3HG2 ILE 13 -2.153 -0.189 5.156
101 HD11 ILE 13 1HD1 ILE 13 -6.526 1.404 2.383
102 HD12 ILE 13 2HD1 ILE 13 -5.766 -0.177 2.560
103 HD13 ILE 13 3HD1 ILE 13 -5.081 1.011 1.451
104 H ALA 14 H ALA 14 -1.611 -1.045 2.129
105 HA ALA 14 HA ALA 14 0.661 -1.346 3.783
106 HB1 ALA 14 1HB ALA 14 -0.541 -3.269 2.866
107 HB2 ALA 14 2HB ALA 14 1.153 -3.320 2.375
108 HB3 ALA 14 3HB ALA 14 -0.082 -2.795 1.229
109 H GLY 15 H GLY 15 0.230 -0.080 0.544
110 HA2 GLY 15 2HA GLY 15 2.953 -0.120 -0.254
111 HA3 GLY 15 1HA GLY 15 1.683 0.890 -0.953
112 H HIS 16 H HIS 16 0.977 2.741 0.577
113 HA HIS 16 HA HIS 16 3.104 4.514 0.904
114 HB2 HIS 16 2HB HIS 16 1.518 6.024 1.599
115 HB3 HIS 16 1HB HIS 16 0.444 4.806 0.917
116 HD2 HIS 16 2HD HIS 16 1.843 5.683 4.545
117 HE1 HIS 16 1HE HIS 16 -1.894 3.752 4.918
118 HE2 HIS 16 2HE HIS 16 -0.018 4.890 6.197
119 H LEU 17 H LEU 17 1.394 2.597 3.357
120 HA LEU 17 HA LEU 17 2.702 3.419 5.641
121 HB2 LEU 17 2HB LEU 17 0.859 1.871 5.773
122 HB3 LEU 17 1HB LEU 17 1.760 0.645 4.876
123 HG LEU 17 HG LEU 17 3.164 1.649 7.279
124 HD11 LEU 17 1HD1 LEU 17 0.595 0.058 7.551
125 HD12 LEU 17 2HD1 LEU 17 0.869 1.695 8.148
126 HD13 LEU 17 3HD1 LEU 17 1.757 0.342 8.847
127 HD21 LEU 17 1HD2 LEU 17 3.782 -0.639 7.489
128 HD22 LEU 17 2HD2 LEU 17 3.728 -0.348 5.750
129 HD23 LEU 17 3HD2 LEU 17 2.395 -1.183 6.545
130 H ALA 18 H ALA 18 3.845 1.251 3.121
131 HA ALA 18 HA ALA 18 6.177 0.381 4.549
132 HB1 ALA 18 1HB ALA 18 5.057 -0.848 2.631
133 HB2 ALA 18 2HB ALA 18 6.811 -0.702 2.519
134 HB3 ALA 18 3HB ALA 18 5.776 0.352 1.556
135 H SER 19 H SER 19 5.380 3.058 2.456
136 HA SER 19 HA SER 19 7.950 3.851 1.662
137 HB2 SER 19 2HB SER 19 5.703 4.765 0.869
138 HB3 SER 19 1HB SER 19 5.710 5.762 2.321
139 HG SER 19 HG SER 19 7.154 5.992 0.007
140 H LYS 20 H LYS 20 6.198 4.336 4.667
141 HA LYS 20 HA LYS 20 7.754 6.367 5.800
142 HB2 LYS 20 2HB LYS 20 5.663 4.671 6.633
143 HB3 LYS 20 1HB LYS 20 6.972 4.432 7.794
144 HG2 LYS 20 2HG LYS 20 5.723 6.260 8.658
145 HG3 LYS 20 1HG LYS 20 7.133 6.997 7.898
146 HD2 LYS 20 2HD LYS 20 5.461 8.315 6.982
147 HD3 LYS 20 1HD LYS 20 5.530 7.041 5.767
148 HE2 LYS 20 2HE LYS 20 3.208 7.373 6.339
149 HE3 LYS 20 1HE LYS 20 3.713 5.840 7.048
150 HZ1 LYS 20 1HZ LYS 20 4.244 7.243 9.099
151 HZ2 LYS 20 2HZ LYS 20 2.612 6.910 8.765
152 HZ3 LYS 20 3HZ LYS 20 3.266 8.431 8.386
153 H VAL 21 H VAL 21 8.121 2.833 6.062
154 HA VAL 21 HA VAL 21 10.442 2.851 7.650
155 HB VAL 21 HB VAL 21 9.546 0.810 5.601
156 HG11 VAL 21 1HG1 VAL 21 10.913 -0.714 7.139
157 HG12 VAL 21 2HG1 VAL 21 11.608 0.760 7.814
158 HG13 VAL 21 3HG1 VAL 21 11.839 0.377 6.108
159 HG21 VAL 21 1HG2 VAL 21 7.870 1.252 7.356
160 HG22 VAL 21 2HG2 VAL 21 9.101 1.018 8.597
161 HG23 VAL 21 3HG2 VAL 21 8.600 -0.337 7.585
162 H MET 22 H MET 22 9.998 2.974 4.146
163 HA MET 22 HA MET 22 12.679 2.644 3.376
164 HB2 MET 22 2HB MET 22 10.368 2.903 2.020
165 HB3 MET 22 1HB MET 22 10.991 4.539 1.818
166 HG2 MET 22 2HG MET 22 13.113 3.628 0.942
167 HG3 MET 22 1HG MET 22 12.487 1.985 1.142
168 HE1 MET 22 1HE MET 22 11.671 5.056 -2.072
169 HE2 MET 22 2HE MET 22 13.231 4.402 -1.579
170 HE3 MET 22 3HE MET 22 12.278 5.346 -0.435
171 H ASN 23 H ASN 23 10.823 5.584 4.098
172 HA ASN 23 HA ASN 23 13.077 7.327 3.722
173 HB2 ASN 23 2HB ASN 23 10.505 7.815 3.536
174 HB3 ASN 23 1HB ASN 23 10.660 8.126 5.265
175 HD21 ASN 23 1HD2 ASN 23 10.756 10.372 5.488
176 HD22 ASN 23 2HD2 ASN 23 11.765 11.386 4.574
177 H LYS 24 H LYS 24 11.580 5.680 6.427
178 HA LYS 24 HA LYS 24 13.191 7.122 8.380
179 HB2 LYS 24 2HB LYS 24 10.727 6.207 8.612
180 HB3 LYS 24 1HB LYS 24 11.568 4.735 9.073
181 HG2 LYS 24 2HG LYS 24 11.287 5.840 11.130
182 HG3 LYS 24 1HG LYS 24 12.933 6.256 10.670
183 HD2 LYS 24 2HD LYS 24 11.433 8.242 9.437
184 HD3 LYS 24 1HD LYS 24 10.602 7.992 10.968
185 HE2 LYS 24 2HE LYS 24 12.287 9.662 11.352
186 HE3 LYS 24 1HE LYS 24 12.848 8.174 12.116
187 HZ1 LYS 24 1HZ LYS 24 14.668 8.982 10.915
188 HZ2 LYS 24 2HZ LYS 24 13.725 9.360 9.552
189 HZ3 LYS 24 3HZ LYS 24 14.039 7.738 9.947
190 H LEU 25 H LEU 25 13.600 4.490 6.354
191 HA LEU 25 HA LEU 25 14.799 2.464 6.600
192 HB2 LEU 25 2HB LEU 25 17.252 3.121 6.650
193 HB3 LEU 25 1HB LEU 25 16.270 3.891 5.397
194 HG LEU 25 HG LEU 25 16.474 5.296 8.029
195 HD11 LEU 25 1HD1 LEU 25 18.608 6.381 7.240
196 HD12 LEU 25 2HD1 LEU 25 18.724 5.124 6.008
197 HD13 LEU 25 3HD1 LEU 25 18.791 4.694 7.718
198 HD21 LEU 25 1HD2 LEU 25 16.052 7.190 6.740
199 HD22 LEU 25 2HD2 LEU 25 15.234 5.959 5.780
200 HD23 LEU 25 3HD2 LEU 25 16.836 6.520 5.310
201 HN1 NH2 26 HN1 NH2 26 13.603 2.634 9.099
202 HN2 NH2 26 HN2 NH2 26 14.754 2.266 10.315