Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614426 | 5ua6 RC | 30217 | 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 -15.448 -4.163 0.353
2 H2 GLY 1 2HT GLY 1 -14.934 -2.595 -0.050
3 H3 GLY 1 3HT GLY 1 -16.589 -2.927 0.139
4 HA2 GLY 1 2HA GLY 1 -16.510 -2.504 2.296
5 HA3 GLY 1 1HA GLY 1 -15.193 -3.671 2.484
6 H VAL 2 H VAL 2 -15.837 -0.690 3.296
7 HA VAL 2 HA VAL 2 -13.923 1.019 2.213
8 HB VAL 2 HB VAL 2 -14.850 0.940 5.094
9 HG11 VAL 2 1HG1 VAL 2 -14.399 3.392 4.953
10 HG12 VAL 2 2HG1 VAL 2 -13.727 3.147 3.340
11 HG13 VAL 2 3HG1 VAL 2 -12.941 2.422 4.743
12 HG21 VAL 2 1HG2 VAL 2 -16.659 2.391 4.382
13 HG22 VAL 2 2HG2 VAL 2 -16.694 0.944 3.373
14 HG23 VAL 2 3HG2 VAL 2 -16.024 2.447 2.736
15 H VAL 3 H VAL 3 -13.560 -1.619 4.453
16 HA VAL 3 HA VAL 3 -10.981 -0.856 5.446
17 HB VAL 3 HB VAL 3 -12.220 -3.615 5.375
18 HG11 VAL 3 1HG1 VAL 3 -10.776 -3.960 7.361
19 HG12 VAL 3 2HG1 VAL 3 -10.120 -2.335 7.153
20 HG13 VAL 3 3HG1 VAL 3 -9.825 -3.568 5.928
21 HG21 VAL 3 1HG2 VAL 3 -12.538 -1.303 7.304
22 HG22 VAL 3 2HG2 VAL 3 -12.914 -2.969 7.746
23 HG23 VAL 3 3HG2 VAL 3 -13.809 -2.176 6.449
24 H ASP 4 H ASP 4 -12.043 -3.356 3.125
25 HA ASP 4 HA ASP 4 -9.457 -4.148 2.332
26 HB2 ASP 4 2HB ASP 4 -10.538 -5.233 0.466
27 HB3 ASP 4 1HB ASP 4 -11.568 -5.418 1.884
28 H ILE 5 H ILE 5 -11.486 -1.475 1.368
29 HA ILE 5 HA ILE 5 -10.071 -0.837 -1.033
30 HB ILE 5 HB ILE 5 -11.920 0.775 0.736
31 HG12 ILE 5 2HG1 ILE 5 -12.342 -0.289 -2.068
32 HG13 ILE 5 1HG1 ILE 5 -12.757 -1.228 -0.629
33 HG21 ILE 5 1HG2 ILE 5 -12.000 2.280 -1.344
34 HG22 ILE 5 2HG2 ILE 5 -10.509 1.481 -1.844
35 HG23 ILE 5 3HG2 ILE 5 -10.554 2.404 -0.341
36 HD11 ILE 5 1HD1 ILE 5 -14.613 0.237 -1.705
37 HD12 ILE 5 2HD1 ILE 5 -13.760 1.596 -0.972
38 HD13 ILE 5 3HD1 ILE 5 -14.411 0.310 0.045
39 H LEU 6 H LEU 6 -9.903 0.325 2.325
40 HA LEU 6 HA LEU 6 -7.876 2.256 1.791
41 HB2 LEU 6 2HB LEU 6 -8.163 2.852 3.959
42 HB3 LEU 6 1HB LEU 6 -9.586 1.818 3.858
43 HG LEU 6 HG LEU 6 -8.026 -0.102 4.594
44 HD11 LEU 6 1HD1 LEU 6 -5.845 0.358 4.945
45 HD12 LEU 6 2HD1 LEU 6 -6.279 1.584 6.135
46 HD13 LEU 6 3HD1 LEU 6 -6.112 2.024 4.437
47 HD21 LEU 6 1HD2 LEU 6 -8.354 0.452 6.944
48 HD22 LEU 6 2HD2 LEU 6 -9.748 1.019 6.024
49 HD23 LEU 6 3HD2 LEU 6 -8.515 2.164 6.550
50 H LYS 7 H LYS 7 -7.868 -1.134 2.728
51 HA LYS 7 HA LYS 7 -5.177 -1.357 3.513
52 HB2 LYS 7 2HB LYS 7 -7.358 -3.150 2.853
53 HB3 LYS 7 1HB LYS 7 -5.852 -3.745 2.188
54 HG2 LYS 7 2HG LYS 7 -6.061 -4.639 4.415
55 HG3 LYS 7 1HG LYS 7 -4.789 -3.416 4.445
56 HD2 LYS 7 2HD LYS 7 -6.089 -1.891 5.612
57 HD3 LYS 7 1HD LYS 7 -7.596 -2.560 4.991
58 HE2 LYS 7 2HE LYS 7 -7.457 -4.460 6.455
59 HE3 LYS 7 1HE LYS 7 -5.805 -4.052 6.922
60 HZ1 LYS 7 1HZ LYS 7 -7.805 -3.395 8.431
61 HZ2 LYS 7 2HZ LYS 7 -7.936 -2.083 7.361
62 HZ3 LYS 7 3HZ LYS 7 -6.499 -2.331 8.233
63 H GLY 8 H GLY 8 -6.499 -0.492 0.567
64 HA2 GLY 8 2HA GLY 8 -4.741 -1.699 -1.290
65 HA3 GLY 8 1HA GLY 8 -5.635 -0.196 -1.547
66 H ALA 9 H ALA 9 -4.607 1.411 0.427
67 HA ALA 9 HA ALA 9 -2.059 2.138 -0.696
68 HB1 ALA 9 1HB ALA 9 -3.485 3.940 -0.064
69 HB2 ALA 9 2HB ALA 9 -2.164 3.932 1.105
70 HB3 ALA 9 3HB ALA 9 -3.737 3.266 1.546
71 H ALA 10 H ALA 10 -3.197 0.516 2.192
72 HA ALA 10 HA ALA 10 -1.045 0.718 3.901
73 HB1 ALA 10 1HB ALA 10 -3.129 -0.451 4.472
74 HB2 ALA 10 2HB ALA 10 -1.725 -1.468 4.797
75 HB3 ALA 10 3HB ALA 10 -2.707 -1.754 3.359
76 H LYS 11 H LYS 11 -1.472 -1.695 1.303
77 HA LYS 11 HA LYS 11 0.955 -3.047 1.689
78 HB2 LYS 11 2HB LYS 11 0.597 -4.032 -0.434
79 HB3 LYS 11 1HB LYS 11 -1.015 -3.726 0.213
80 HG2 LYS 11 2HG LYS 11 -0.651 -1.384 -1.057
81 HG3 LYS 11 1HG LYS 11 0.410 -2.390 -2.051
82 HD2 LYS 11 2HD LYS 11 -2.489 -3.038 -1.419
83 HD3 LYS 11 1HD LYS 11 -1.928 -2.308 -2.923
84 HE2 LYS 11 2HE LYS 11 -0.555 -4.265 -3.410
85 HE3 LYS 11 1HE LYS 11 -0.990 -4.989 -1.862
86 HZ1 LYS 11 1HZ LYS 11 -3.301 -5.018 -2.564
87 HZ2 LYS 11 2HZ LYS 11 -2.328 -5.885 -3.656
88 HZ3 LYS 11 3HZ LYS 11 -2.880 -4.328 -4.055
89 H ASP 12 H ASP 12 0.225 -0.034 0.076
90 HA ASP 12 HA ASP 12 2.633 0.218 -1.408
91 HB2 ASP 12 2HB ASP 12 0.354 1.546 -1.459
92 HB3 ASP 12 1HB ASP 12 1.190 2.605 -0.323
93 H ILE 13 H ILE 13 1.615 1.448 1.766
94 HA ILE 13 HA ILE 13 3.886 2.877 2.472
95 HB ILE 13 HB ILE 13 2.106 1.166 4.229
96 HG12 ILE 13 2HG1 ILE 13 2.082 4.159 3.742
97 HG13 ILE 13 1HG1 ILE 13 1.032 3.027 2.889
98 HG21 ILE 13 1HG2 ILE 13 2.945 2.770 6.015
99 HG22 ILE 13 2HG2 ILE 13 4.183 3.276 4.867
100 HG23 ILE 13 3HG2 ILE 13 4.137 1.607 5.434
101 HD11 ILE 13 1HD1 ILE 13 0.239 2.217 5.159
102 HD12 ILE 13 2HD1 ILE 13 -0.229 3.869 4.754
103 HD13 ILE 13 3HD1 ILE 13 1.109 3.578 5.865
104 H ALA 14 H ALA 14 3.368 -0.512 2.144
105 HA ALA 14 HA ALA 14 5.951 -1.140 3.434
106 HB1 ALA 14 1HB ALA 14 4.169 -2.500 4.271
107 HB2 ALA 14 2HB ALA 14 5.137 -3.520 3.208
108 HB3 ALA 14 3HB ALA 14 3.601 -2.865 2.641
109 H GLY 15 H GLY 15 4.388 -0.923 0.359
110 HA2 GLY 15 2HA GLY 15 6.514 -2.486 -0.956
111 HA3 GLY 15 1HA GLY 15 4.990 -1.984 -1.695
112 H HIS 16 H HIS 16 4.749 0.549 -1.649
113 HA HIS 16 HA HIS 16 6.552 1.641 -3.440
114 HB2 HIS 16 2HB HIS 16 4.474 2.733 -3.197
115 HB3 HIS 16 1HB HIS 16 4.668 2.889 -1.451
116 HD2 HIS 16 2HD HIS 16 5.191 5.530 -0.936
117 HE1 HIS 16 1HE HIS 16 7.690 6.331 -4.243
118 HE2 HIS 16 2HE HIS 16 6.663 7.321 -2.139
119 H LEU 17 H LEU 17 6.571 1.737 0.100
120 HA LEU 17 HA LEU 17 8.755 3.525 0.370
121 HB2 LEU 17 2HB LEU 17 7.454 1.465 2.138
122 HB3 LEU 17 1HB LEU 17 8.864 2.378 2.670
123 HG LEU 17 HG LEU 17 6.539 3.316 3.271
124 HD11 LEU 17 1HD1 LEU 17 7.350 5.531 3.229
125 HD12 LEU 17 2HD1 LEU 17 8.246 5.269 1.734
126 HD13 LEU 17 3HD1 LEU 17 8.814 4.549 3.240
127 HD21 LEU 17 1HD2 LEU 17 6.645 4.292 0.408
128 HD22 LEU 17 2HD2 LEU 17 5.371 4.573 1.591
129 HD23 LEU 17 3HD2 LEU 17 5.626 2.956 0.944
130 H ALA 18 H ALA 18 8.477 0.011 0.202
131 HA ALA 18 HA ALA 18 11.245 -0.513 0.696
132 HB1 ALA 18 1HB ALA 18 9.518 -2.214 1.084
133 HB2 ALA 18 2HB ALA 18 10.718 -2.793 -0.072
134 HB3 ALA 18 3HB ALA 18 9.143 -2.236 -0.639
135 H SER 19 H SER 19 9.266 -0.462 -2.267
136 HA SER 19 HA SER 19 11.268 -1.098 -4.103
137 HB2 SER 19 2HB SER 19 8.705 -0.758 -4.433
138 HB3 SER 19 1HB SER 19 9.141 0.919 -4.748
139 HG SER 19 HG SER 19 9.814 -1.421 -6.154
140 H LYS 20 H LYS 20 10.436 1.977 -2.601
141 HA LYS 20 HA LYS 20 11.910 3.719 -4.193
142 HB2 LYS 20 2HB LYS 20 10.315 4.224 -2.231
143 HB3 LYS 20 1HB LYS 20 11.752 4.031 -1.225
144 HG2 LYS 20 2HG LYS 20 12.917 5.775 -2.469
145 HG3 LYS 20 1HG LYS 20 11.554 5.928 -3.577
146 HD2 LYS 20 2HD LYS 20 11.458 7.706 -1.895
147 HD3 LYS 20 1HD LYS 20 10.105 6.597 -1.674
148 HE2 LYS 20 2HE LYS 20 12.650 6.073 -0.172
149 HE3 LYS 20 1HE LYS 20 11.572 7.346 0.401
150 HZ1 LYS 20 1HZ LYS 20 9.874 5.314 -0.120
151 HZ2 LYS 20 2HZ LYS 20 10.500 5.695 1.413
152 HZ3 LYS 20 3HZ LYS 20 11.235 4.490 0.467
153 H VAL 21 H VAL 21 12.941 1.864 -1.346
154 HA VAL 21 HA VAL 21 15.681 2.797 -1.627
155 HB VAL 21 HB VAL 21 14.842 2.497 0.617
156 HG11 VAL 21 1HG1 VAL 21 14.273 -0.337 -0.287
157 HG12 VAL 21 2HG1 VAL 21 13.092 0.871 0.216
158 HG13 VAL 21 3HG1 VAL 21 14.214 0.189 1.394
159 HG21 VAL 21 1HG2 VAL 21 16.670 0.148 0.071
160 HG22 VAL 21 2HG2 VAL 21 16.607 1.160 1.514
161 HG23 VAL 21 3HG2 VAL 21 17.237 1.816 0.003
162 H MET 22 H MET 22 13.768 0.260 -2.872
163 HA MET 22 HA MET 22 16.171 -1.353 -3.499
164 HB2 MET 22 2HB MET 22 13.239 -2.115 -3.547
165 HB3 MET 22 1HB MET 22 14.573 -3.174 -4.022
166 HG2 MET 22 2HG MET 22 15.461 -2.400 -1.577
167 HG3 MET 22 1HG MET 22 13.715 -2.307 -1.309
168 HE1 MET 22 1HE MET 22 12.228 -3.973 -2.538
169 HE2 MET 22 2HE MET 22 12.193 -4.572 -0.882
170 HE3 MET 22 3HE MET 22 12.371 -5.706 -2.218
171 HN1 NH2 23 HN1 NH2 23 14.581 1.106 -4.909
172 HN2 NH2 23 HN2 NH2 23 14.632 0.618 -6.533
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -14.554 -4.725 0.495
2 H2 GLY 1 2HT GLY 1 -15.217 -4.735 2.060
3 H3 GLY 1 3HT GLY 1 -13.681 -4.062 1.789
4 HA2 GLY 1 2HA GLY 1 -15.471 -2.773 0.074
5 HA3 GLY 1 1HA GLY 1 -16.175 -2.791 1.699
6 H VAL 2 H VAL 2 -15.760 -0.863 2.595
7 HA VAL 2 HA VAL 2 -13.795 0.959 1.990
8 HB VAL 2 HB VAL 2 -15.720 1.367 3.518
9 HG11 VAL 2 1HG1 VAL 2 -14.002 0.057 5.637
10 HG12 VAL 2 2HG1 VAL 2 -15.306 -0.796 4.811
11 HG13 VAL 2 3HG1 VAL 2 -15.664 0.625 5.792
12 HG21 VAL 2 1HG2 VAL 2 -13.104 2.012 4.897
13 HG22 VAL 2 2HG2 VAL 2 -14.578 2.980 4.861
14 HG23 VAL 2 3HG2 VAL 2 -13.599 2.809 3.404
15 H VAL 3 H VAL 3 -13.507 -1.982 3.827
16 HA VAL 3 HA VAL 3 -11.048 -1.357 5.134
17 HB VAL 3 HB VAL 3 -12.262 -4.045 4.451
18 HG11 VAL 3 1HG1 VAL 3 -10.822 -4.753 6.428
19 HG12 VAL 3 2HG1 VAL 3 -10.007 -3.196 6.284
20 HG13 VAL 3 3HG1 VAL 3 -9.937 -4.354 4.956
21 HG21 VAL 3 1HG2 VAL 3 -12.904 -3.911 6.918
22 HG22 VAL 3 2HG2 VAL 3 -13.789 -2.829 5.843
23 HG23 VAL 3 3HG2 VAL 3 -12.479 -2.202 6.844
24 H ASP 4 H ASP 4 -11.786 -3.389 2.286
25 HA ASP 4 HA ASP 4 -9.122 -3.958 1.603
26 HB2 ASP 4 2HB ASP 4 -9.973 -4.643 -0.542
27 HB3 ASP 4 1HB ASP 4 -11.154 -5.106 0.683
28 H ILE 5 H ILE 5 -11.166 -1.189 0.875
29 HA ILE 5 HA ILE 5 -9.510 -0.053 -1.132
30 HB ILE 5 HB ILE 5 -11.567 1.147 0.730
31 HG12 ILE 5 2HG1 ILE 5 -11.605 0.707 -2.270
32 HG13 ILE 5 1HG1 ILE 5 -12.239 -0.468 -1.114
33 HG21 ILE 5 1HG2 ILE 5 -11.429 3.090 -0.955
34 HG22 ILE 5 2HG2 ILE 5 -9.865 2.421 -1.420
35 HG23 ILE 5 3HG2 ILE 5 -10.130 2.977 0.232
36 HD11 ILE 5 1HD1 ILE 5 -13.143 2.418 -1.141
37 HD12 ILE 5 2HD1 ILE 5 -13.910 1.048 -0.339
38 HD13 ILE 5 3HD1 ILE 5 -13.942 1.171 -2.098
39 H LEU 6 H LEU 6 -9.722 0.475 2.386
40 HA LEU 6 HA LEU 6 -7.677 2.443 2.458
41 HB2 LEU 6 2HB LEU 6 -8.174 2.574 4.664
42 HB3 LEU 6 1HB LEU 6 -9.552 1.566 4.225
43 HG LEU 6 HG LEU 6 -7.996 -0.446 4.684
44 HD11 LEU 6 1HD1 LEU 6 -6.444 0.898 6.693
45 HD12 LEU 6 2HD1 LEU 6 -6.156 1.702 5.151
46 HD13 LEU 6 3HD1 LEU 6 -5.870 -0.028 5.310
47 HD21 LEU 6 1HD2 LEU 6 -9.878 0.383 6.154
48 HD22 LEU 6 2HD2 LEU 6 -8.682 1.319 7.050
49 HD23 LEU 6 3HD2 LEU 6 -8.585 -0.441 7.025
50 H LYS 7 H LYS 7 -7.669 -1.068 2.647
51 HA LYS 7 HA LYS 7 -5.038 -1.413 3.602
52 HB2 LYS 7 2HB LYS 7 -7.119 -3.072 2.440
53 HB3 LYS 7 1HB LYS 7 -5.546 -3.518 1.811
54 HG2 LYS 7 2HG LYS 7 -5.921 -4.813 3.808
55 HG3 LYS 7 1HG LYS 7 -4.686 -3.605 4.173
56 HD2 LYS 7 2HD LYS 7 -6.119 -2.329 5.477
57 HD3 LYS 7 1HD LYS 7 -7.551 -2.897 4.622
58 HE2 LYS 7 2HE LYS 7 -7.372 -5.086 5.694
59 HE3 LYS 7 1HE LYS 7 -5.873 -4.599 6.485
60 HZ1 LYS 7 1HZ LYS 7 -8.546 -4.120 7.285
61 HZ2 LYS 7 2HZ LYS 7 -7.729 -2.645 7.082
62 HZ3 LYS 7 3HZ LYS 7 -7.108 -3.825 8.135
63 H GLY 8 H GLY 8 -6.150 0.021 0.808
64 HA2 GLY 8 2HA GLY 8 -4.298 -0.796 -1.154
65 HA3 GLY 8 1HA GLY 8 -5.127 0.766 -1.117
66 H ALA 9 H ALA 9 -4.195 1.939 1.131
67 HA ALA 9 HA ALA 9 -1.523 2.692 0.372
68 HB1 ALA 9 1HB ALA 9 -3.005 4.409 1.193
69 HB2 ALA 9 2HB ALA 9 -1.704 4.207 2.366
70 HB3 ALA 9 3HB ALA 9 -3.294 3.512 2.685
71 H ALA 10 H ALA 10 -3.001 0.684 2.830
72 HA ALA 10 HA ALA 10 -0.900 0.473 4.657
73 HB1 ALA 10 1HB ALA 10 -3.235 -0.450 4.908
74 HB2 ALA 10 2HB ALA 10 -1.946 -1.539 5.421
75 HB3 ALA 10 3HB ALA 10 -2.743 -1.786 3.867
76 H LYS 11 H LYS 11 -1.573 -1.575 1.805
77 HA LYS 11 HA LYS 11 0.830 -3.110 2.158
78 HB2 LYS 11 2HB LYS 11 0.221 -4.195 0.090
79 HB3 LYS 11 1HB LYS 11 -1.241 -3.978 1.054
80 HG2 LYS 11 2HG LYS 11 -1.482 -1.732 -0.254
81 HG3 LYS 11 1HG LYS 11 -0.356 -2.471 -1.402
82 HD2 LYS 11 2HD LYS 11 -3.045 -3.571 -0.529
83 HD3 LYS 11 1HD LYS 11 -2.627 -2.950 -2.126
84 HE2 LYS 11 2HE LYS 11 -2.411 -5.263 -2.425
85 HE3 LYS 11 1HE LYS 11 -0.753 -4.779 -2.065
86 HZ1 LYS 11 1HZ LYS 11 -1.833 -6.746 -0.795
87 HZ2 LYS 11 2HZ LYS 11 -2.560 -5.523 0.134
88 HZ3 LYS 11 3HZ LYS 11 -0.867 -5.635 0.046
89 H ASP 12 H ASP 12 -0.077 -0.266 0.301
90 HA ASP 12 HA ASP 12 2.233 -0.275 -1.394
91 HB2 ASP 12 2HB ASP 12 -0.078 0.972 -1.592
92 HB3 ASP 12 1HB ASP 12 0.763 2.238 -0.698
93 H ILE 13 H ILE 13 1.321 1.509 1.538
94 HA ILE 13 HA ILE 13 3.615 3.064 1.838
95 HB ILE 13 HB ILE 13 1.738 1.843 3.867
96 HG12 ILE 13 2HG1 ILE 13 2.141 4.748 3.141
97 HG13 ILE 13 1HG1 ILE 13 1.064 3.712 2.206
98 HG21 ILE 13 1HG2 ILE 13 4.145 3.628 4.261
99 HG22 ILE 13 2HG2 ILE 13 3.749 2.130 5.105
100 HG23 ILE 13 3HG2 ILE 13 2.814 3.592 5.416
101 HD11 ILE 13 1HD1 ILE 13 0.873 4.161 5.200
102 HD12 ILE 13 2HD1 ILE 13 -0.229 3.191 4.223
103 HD13 ILE 13 3HD1 ILE 13 -0.151 4.939 3.993
104 H ALA 14 H ALA 14 3.069 -0.308 2.249
105 HA ALA 14 HA ALA 14 5.673 -0.687 3.589
106 HB1 ALA 14 1HB ALA 14 3.971 -1.859 4.741
107 HB2 ALA 14 2HB ALA 14 4.804 -3.088 3.789
108 HB3 ALA 14 3HB ALA 14 3.252 -2.452 3.245
109 H GLY 15 H GLY 15 4.060 -1.088 0.553
110 HA2 GLY 15 2HA GLY 15 6.181 -2.884 -0.444
111 HA3 GLY 15 1HA GLY 15 4.633 -2.576 -1.236
112 H HIS 16 H HIS 16 4.341 -0.095 -1.726
113 HA HIS 16 HA HIS 16 6.074 0.613 -3.759
114 HB2 HIS 16 2HB HIS 16 3.965 1.687 -3.674
115 HB3 HIS 16 1HB HIS 16 4.231 2.246 -2.023
116 HD2 HIS 16 2HD HIS 16 4.732 4.932 -2.140
117 HE1 HIS 16 1HE HIS 16 7.028 4.995 -5.682
118 HE2 HIS 16 2HE HIS 16 6.096 6.421 -3.798
119 H LEU 17 H LEU 17 6.176 1.482 -0.327
120 HA LEU 17 HA LEU 17 8.336 3.312 -0.512
121 HB2 LEU 17 2HB LEU 17 7.108 1.681 1.699
122 HB3 LEU 17 1HB LEU 17 8.516 2.702 1.981
123 HG LEU 17 HG LEU 17 6.176 3.714 2.415
124 HD11 LEU 17 1HD1 LEU 17 7.852 5.319 0.486
125 HD12 LEU 17 2HD1 LEU 17 8.436 4.935 2.105
126 HD13 LEU 17 3HD1 LEU 17 6.964 5.882 1.901
127 HD21 LEU 17 1HD2 LEU 17 4.977 4.585 0.526
128 HD22 LEU 17 2HD2 LEU 17 5.252 2.873 0.217
129 HD23 LEU 17 3HD2 LEU 17 6.247 4.086 -0.588
130 H ALA 18 H ALA 18 8.110 -0.156 0.127
131 HA ALA 18 HA ALA 18 10.755 -0.681 0.835
132 HB1 ALA 18 1HB ALA 18 8.785 -2.288 0.858
133 HB2 ALA 18 2HB ALA 18 10.316 -2.958 0.296
134 HB3 ALA 18 3HB ALA 18 9.067 -2.515 -0.869
135 H SER 19 H SER 19 9.278 -0.557 -2.400
136 HA SER 19 HA SER 19 11.693 -1.212 -3.771
137 HB2 SER 19 2HB SER 19 10.367 -0.233 -5.761
138 HB3 SER 19 1HB SER 19 9.748 -1.684 -4.980
139 HG SER 19 HG SER 19 8.626 0.051 -3.596
140 H LYS 20 H LYS 20 10.262 1.738 -2.593
141 HA LYS 20 HA LYS 20 11.444 3.677 -4.149
142 HB2 LYS 20 2HB LYS 20 9.873 3.956 -2.146
143 HB3 LYS 20 1HB LYS 20 11.340 3.904 -1.168
144 HG2 LYS 20 2HG LYS 20 12.274 5.797 -2.413
145 HG3 LYS 20 1HG LYS 20 10.848 5.835 -3.447
146 HD2 LYS 20 2HD LYS 20 10.609 7.537 -1.723
147 HD3 LYS 20 1HD LYS 20 9.442 6.250 -1.421
148 HE2 LYS 20 2HE LYS 20 10.619 5.430 0.420
149 HE3 LYS 20 1HE LYS 20 12.151 6.113 -0.125
150 HZ1 LYS 20 1HZ LYS 20 10.016 7.337 1.399
151 HZ2 LYS 20 2HZ LYS 20 10.674 8.315 0.174
152 HZ3 LYS 20 3HZ LYS 20 11.677 7.678 1.389
153 H VAL 21 H VAL 21 12.864 1.787 -1.537
154 HA VAL 21 HA VAL 21 15.421 3.165 -1.799
155 HB VAL 21 HB VAL 21 14.725 2.620 0.439
156 HG11 VAL 21 1HG1 VAL 21 13.186 0.841 0.142
157 HG12 VAL 21 2HG1 VAL 21 14.531 0.127 1.033
158 HG13 VAL 21 3HG1 VAL 21 14.374 -0.152 -0.701
159 HG21 VAL 21 1HG2 VAL 21 16.678 1.478 1.202
160 HG22 VAL 21 2HG2 VAL 21 17.164 2.290 -0.287
161 HG23 VAL 21 3HG2 VAL 21 16.816 0.561 -0.299
162 H MET 22 H MET 22 13.889 0.178 -2.791
163 HA MET 22 HA MET 22 16.468 -0.855 -3.790
164 HB2 MET 22 2HB MET 22 13.763 -2.185 -3.479
165 HB3 MET 22 1HB MET 22 15.180 -2.960 -4.197
166 HG2 MET 22 2HG MET 22 16.275 -2.073 -1.875
167 HG3 MET 22 1HG MET 22 14.605 -2.324 -1.347
168 HE1 MET 22 1HE MET 22 13.855 -4.640 -0.433
169 HE2 MET 22 2HE MET 22 13.838 -5.917 -1.647
170 HE3 MET 22 3HE MET 22 13.247 -4.309 -2.059
171 HN1 NH2 23 HN1 NH2 23 14.873 1.394 -5.084
172 HN2 NH2 23 HN2 NH2 23 14.584 0.847 -6.664
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -15.963 -3.632 5.728
2 H2 GLY 1 2HT GLY 1 -14.343 -3.872 5.275
3 H3 GLY 1 3HT GLY 1 -15.492 -5.098 5.018
4 HA2 GLY 1 2HA GLY 1 -15.411 -4.257 2.922
5 HA3 GLY 1 1HA GLY 1 -16.671 -3.229 3.622
6 H VAL 2 H VAL 2 -16.038 -1.140 4.477
7 HA VAL 2 HA VAL 2 -14.557 0.440 2.785
8 HB VAL 2 HB VAL 2 -16.072 1.333 4.506
9 HG11 VAL 2 1HG1 VAL 2 -15.239 -0.298 6.282
10 HG12 VAL 2 2HG1 VAL 2 -15.480 1.362 6.826
11 HG13 VAL 2 3HG1 VAL 2 -13.853 0.773 6.486
12 HG21 VAL 2 1HG2 VAL 2 -13.259 2.377 4.936
13 HG22 VAL 2 2HG2 VAL 2 -14.768 3.284 5.053
14 HG23 VAL 2 3HG2 VAL 2 -14.202 2.712 3.484
15 H VAL 3 H VAL 3 -13.419 -1.640 5.329
16 HA VAL 3 HA VAL 3 -10.851 -0.490 5.694
17 HB VAL 3 HB VAL 3 -11.749 -3.354 6.083
18 HG11 VAL 3 1HG1 VAL 3 -9.305 -1.800 6.958
19 HG12 VAL 3 2HG1 VAL 3 -9.361 -3.316 6.057
20 HG13 VAL 3 3HG1 VAL 3 -9.818 -3.285 7.760
21 HG21 VAL 3 1HG2 VAL 3 -13.108 -1.912 7.440
22 HG22 VAL 3 2HG2 VAL 3 -11.720 -0.917 7.882
23 HG23 VAL 3 3HG2 VAL 3 -11.860 -2.562 8.503
24 H ASP 4 H ASP 4 -11.891 -3.319 3.777
25 HA ASP 4 HA ASP 4 -9.427 -3.918 2.619
26 HB2 ASP 4 2HB ASP 4 -10.643 -5.167 0.979
27 HB3 ASP 4 1HB ASP 4 -11.538 -5.296 2.491
28 H ILE 5 H ILE 5 -11.703 -1.383 1.876
29 HA ILE 5 HA ILE 5 -10.745 -0.752 -0.723
30 HB ILE 5 HB ILE 5 -12.092 1.042 1.310
31 HG12 ILE 5 2HG1 ILE 5 -13.224 -1.186 0.469
32 HG13 ILE 5 1HG1 ILE 5 -14.156 0.312 0.489
33 HG21 ILE 5 1HG2 ILE 5 -12.827 2.191 -0.882
34 HG22 ILE 5 2HG2 ILE 5 -11.507 1.300 -1.639
35 HG23 ILE 5 3HG2 ILE 5 -11.167 2.451 -0.347
36 HD11 ILE 5 1HD1 ILE 5 -14.000 0.589 -1.838
37 HD12 ILE 5 2HD1 ILE 5 -14.195 -1.155 -1.670
38 HD13 ILE 5 3HD1 ILE 5 -12.599 -0.472 -1.970
39 H LEU 6 H LEU 6 -9.892 0.405 2.524
40 HA LEU 6 HA LEU 6 -8.029 2.348 1.570
41 HB2 LEU 6 2HB LEU 6 -7.870 2.974 3.746
42 HB3 LEU 6 1HB LEU 6 -9.312 1.977 3.924
43 HG LEU 6 HG LEU 6 -7.666 0.025 4.373
44 HD11 LEU 6 1HD1 LEU 6 -5.453 0.461 4.401
45 HD12 LEU 6 2HD1 LEU 6 -5.687 1.741 5.589
46 HD13 LEU 6 3HD1 LEU 6 -5.788 2.108 3.869
47 HD21 LEU 6 1HD2 LEU 6 -7.465 0.720 6.772
48 HD22 LEU 6 2HD2 LEU 6 -9.081 0.967 6.111
49 HD23 LEU 6 3HD2 LEU 6 -7.989 2.338 6.306
50 H LYS 7 H LYS 7 -7.817 -1.025 2.562
51 HA LYS 7 HA LYS 7 -5.065 -1.281 2.892
52 HB2 LYS 7 2HB LYS 7 -7.313 -3.056 2.370
53 HB3 LYS 7 1HB LYS 7 -5.866 -3.610 1.557
54 HG2 LYS 7 2HG LYS 7 -5.841 -4.606 3.732
55 HG3 LYS 7 1HG LYS 7 -4.630 -3.322 3.753
56 HD2 LYS 7 2HD LYS 7 -5.944 -1.916 5.065
57 HD3 LYS 7 1HD LYS 7 -7.442 -2.686 4.548
58 HE2 LYS 7 2HE LYS 7 -7.074 -4.582 5.941
59 HE3 LYS 7 1HE LYS 7 -5.387 -4.146 6.212
60 HZ1 LYS 7 1HZ LYS 7 -7.475 -2.247 7.001
61 HZ2 LYS 7 2HZ LYS 7 -5.941 -2.511 7.681
62 HZ3 LYS 7 3HZ LYS 7 -7.206 -3.603 7.982
63 H GLY 8 H GLY 8 -6.819 -0.393 0.145
64 HA2 GLY 8 2HA GLY 8 -5.306 -1.451 -1.970
65 HA3 GLY 8 1HA GLY 8 -6.202 0.071 -2.027
66 H ALA 9 H ALA 9 -4.931 1.634 -0.222
67 HA ALA 9 HA ALA 9 -2.507 2.325 -1.609
68 HB1 ALA 9 1HB ALA 9 -4.173 3.954 -0.575
69 HB2 ALA 9 2HB ALA 9 -2.470 4.266 -0.235
70 HB3 ALA 9 3HB ALA 9 -3.490 3.508 0.988
71 H ALA 10 H ALA 10 -3.344 0.712 1.384
72 HA ALA 10 HA ALA 10 -1.013 0.874 2.844
73 HB1 ALA 10 1HB ALA 10 -2.758 -1.574 2.489
74 HB2 ALA 10 2HB ALA 10 -3.044 -0.266 3.637
75 HB3 ALA 10 3HB ALA 10 -1.624 -1.299 3.811
76 H LYS 11 H LYS 11 -1.742 -1.373 0.180
77 HA LYS 11 HA LYS 11 0.553 -2.943 0.292
78 HB2 LYS 11 2HB LYS 11 0.067 -3.606 -1.922
79 HB3 LYS 11 1HB LYS 11 -1.500 -3.189 -1.229
80 HG2 LYS 11 2HG LYS 11 -0.965 -0.791 -2.190
81 HG3 LYS 11 1HG LYS 11 0.144 -1.680 -3.244
82 HD2 LYS 11 2HD LYS 11 -2.816 -2.275 -2.923
83 HD3 LYS 11 1HD LYS 11 -2.093 -1.416 -4.284
84 HE2 LYS 11 2HE LYS 11 -0.647 -3.440 -4.694
85 HE3 LYS 11 1HE LYS 11 -1.584 -4.288 -3.463
86 HZ1 LYS 11 1HZ LYS 11 -2.757 -4.841 -5.314
87 HZ2 LYS 11 2HZ LYS 11 -2.387 -3.399 -6.134
88 HZ3 LYS 11 3HZ LYS 11 -3.565 -3.405 -4.910
89 H ASP 12 H ASP 12 0.113 0.314 -0.909
90 HA ASP 12 HA ASP 12 2.611 0.470 -2.309
91 HB2 ASP 12 2HB ASP 12 0.403 1.935 -2.420
92 HB3 ASP 12 1HB ASP 12 1.253 2.895 -1.209
93 H ILE 13 H ILE 13 1.440 1.608 0.846
94 HA ILE 13 HA ILE 13 3.755 2.850 1.770
95 HB ILE 13 HB ILE 13 1.898 1.172 3.473
96 HG12 ILE 13 2HG1 ILE 13 1.567 4.018 2.465
97 HG13 ILE 13 1HG1 ILE 13 0.560 2.639 2.027
98 HG21 ILE 13 1HG2 ILE 13 3.372 3.747 4.092
99 HG22 ILE 13 2HG2 ILE 13 4.014 2.148 4.471
100 HG23 ILE 13 3HG2 ILE 13 2.521 2.701 5.229
101 HD11 ILE 13 1HD1 ILE 13 0.049 2.377 4.507
102 HD12 ILE 13 2HD1 ILE 13 -0.627 3.815 3.744
103 HD13 ILE 13 3HD1 ILE 13 0.820 3.945 4.744
104 H ALA 14 H ALA 14 2.993 -0.473 1.282
105 HA ALA 14 HA ALA 14 5.407 -1.356 2.737
106 HB1 ALA 14 1HB ALA 14 4.467 -3.556 2.708
107 HB2 ALA 14 2HB ALA 14 3.239 -3.083 1.533
108 HB3 ALA 14 3HB ALA 14 3.173 -2.454 3.179
109 H GLY 15 H GLY 15 4.113 -0.908 -0.438
110 HA2 GLY 15 2HA GLY 15 6.217 -2.586 -1.648
111 HA3 GLY 15 1HA GLY 15 4.795 -1.949 -2.480
112 H HIS 16 H HIS 16 4.736 0.602 -2.335
113 HA HIS 16 HA HIS 16 6.734 1.615 -3.956
114 HB2 HIS 16 2HB HIS 16 4.714 2.842 -3.789
115 HB3 HIS 16 1HB HIS 16 4.835 2.944 -2.033
116 HD2 HIS 16 2HD HIS 16 5.544 5.514 -1.414
117 HE1 HIS 16 1HE HIS 16 8.231 6.211 -4.594
118 HE2 HIS 16 2HE HIS 16 7.197 7.219 -2.504
119 H LEU 17 H LEU 17 6.521 1.553 -0.426
120 HA LEU 17 HA LEU 17 8.826 3.149 0.054
121 HB2 LEU 17 2HB LEU 17 7.217 1.179 1.667
122 HB3 LEU 17 1HB LEU 17 8.653 1.961 2.324
123 HG LEU 17 HG LEU 17 6.364 3.071 2.768
124 HD11 LEU 17 1HD1 LEU 17 7.354 5.222 2.844
125 HD12 LEU 17 2HD1 LEU 17 8.376 4.892 1.447
126 HD13 LEU 17 3HD1 LEU 17 8.712 4.108 2.990
127 HD21 LEU 17 1HD2 LEU 17 5.618 2.860 0.367
128 HD22 LEU 17 2HD2 LEU 17 6.799 4.104 -0.046
129 HD23 LEU 17 3HD2 LEU 17 5.463 4.481 1.037
130 H ALA 18 H ALA 18 8.231 -0.321 -0.216
131 HA ALA 18 HA ALA 18 10.679 -1.331 0.602
132 HB1 ALA 18 1HB ALA 18 8.689 -2.700 -0.012
133 HB2 ALA 18 2HB ALA 18 10.182 -3.285 -0.745
134 HB3 ALA 18 3HB ALA 18 9.027 -2.368 -1.711
135 H SER 19 H SER 19 9.837 0.274 -2.396
136 HA SER 19 HA SER 19 12.253 -0.465 -3.757
137 HB2 SER 19 2HB SER 19 11.317 1.718 -5.116
138 HB3 SER 19 1HB SER 19 10.791 0.062 -5.400
139 HG SER 19 HG SER 19 8.916 0.927 -4.917
140 H LYS 20 H LYS 20 11.126 2.300 -1.886
141 HA LYS 20 HA LYS 20 13.066 4.179 -2.442
142 HB2 LYS 20 2HB LYS 20 11.059 4.381 -0.887
143 HB3 LYS 20 1HB LYS 20 12.098 3.655 0.342
144 HG2 LYS 20 2HG LYS 20 13.773 5.451 -0.036
145 HG3 LYS 20 1HG LYS 20 12.677 6.202 -1.194
146 HD2 LYS 20 2HD LYS 20 11.728 5.590 1.599
147 HD3 LYS 20 1HD LYS 20 12.671 7.045 1.285
148 HE2 LYS 20 2HE LYS 20 11.027 7.661 -0.506
149 HE3 LYS 20 1HE LYS 20 10.048 6.274 -0.026
150 HZ1 LYS 20 1HZ LYS 20 10.477 8.807 1.335
151 HZ2 LYS 20 2HZ LYS 20 10.420 7.428 2.328
152 HZ3 LYS 20 3HZ LYS 20 9.109 7.803 1.312
153 H VAL 21 H VAL 21 13.294 1.318 -0.409
154 HA VAL 21 HA VAL 21 15.979 2.019 0.481
155 HB VAL 21 HB VAL 21 14.541 0.955 2.099
156 HG11 VAL 21 1HG1 VAL 21 14.275 -1.203 -0.008
157 HG12 VAL 21 2HG1 VAL 21 12.989 -0.200 0.663
158 HG13 VAL 21 3HG1 VAL 21 13.775 -1.415 1.670
159 HG21 VAL 21 1HG2 VAL 21 17.020 0.327 1.925
160 HG22 VAL 21 2HG2 VAL 21 16.483 -1.168 1.156
161 HG23 VAL 21 3HG2 VAL 21 15.996 -0.803 2.812
162 H MET 22 H MET 22 14.425 -0.017 -1.912
163 HA MET 22 HA MET 22 16.964 -1.359 -2.538
164 HB2 MET 22 2HB MET 22 14.166 -1.718 -3.647
165 HB3 MET 22 1HB MET 22 15.582 -2.630 -4.188
166 HG2 MET 22 2HG MET 22 15.819 -3.068 -1.546
167 HG3 MET 22 1HG MET 22 14.069 -2.816 -1.617
168 HE1 MET 22 1HE MET 22 16.487 -5.538 -1.404
169 HE2 MET 22 2HE MET 22 15.168 -6.703 -1.496
170 HE3 MET 22 3HE MET 22 14.989 -5.255 -0.508
171 HN1 NH2 23 HN1 NH2 23 16.415 1.604 -3.102
172 HN2 NH2 23 HN2 NH2 23 16.711 1.764 -4.766
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -16.290 -3.514 4.204
2 H2 GLY 1 2HT GLY 1 -17.600 -3.080 3.213
3 H3 GLY 1 3HT GLY 1 -16.594 -1.878 3.871
4 HA2 GLY 1 2HA GLY 1 -15.221 -3.873 2.283
5 HA3 GLY 1 1HA GLY 1 -16.344 -2.838 1.389
6 H VAL 2 H VAL 2 -16.077 -0.570 3.164
7 HA VAL 2 HA VAL 2 -14.127 0.925 1.937
8 HB VAL 2 HB VAL 2 -15.044 1.216 4.808
9 HG11 VAL 2 1HG1 VAL 2 -13.690 3.066 2.835
10 HG12 VAL 2 2HG1 VAL 2 -13.165 2.642 4.464
11 HG13 VAL 2 3HG1 VAL 2 -14.578 3.673 4.233
12 HG21 VAL 2 1HG2 VAL 2 -16.913 1.096 3.182
13 HG22 VAL 2 2HG2 VAL 2 -16.158 2.376 2.233
14 HG23 VAL 2 3HG2 VAL 2 -16.752 2.717 3.857
15 H VAL 3 H VAL 3 -13.757 -1.411 4.485
16 HA VAL 3 HA VAL 3 -11.202 -0.575 5.419
17 HB VAL 3 HB VAL 3 -12.464 -3.326 5.482
18 HG11 VAL 3 1HG1 VAL 3 -10.116 -2.068 6.915
19 HG12 VAL 3 2HG1 VAL 3 -10.136 -3.551 5.959
20 HG13 VAL 3 3HG1 VAL 3 -10.938 -3.502 7.529
21 HG21 VAL 3 1HG2 VAL 3 -13.354 -2.712 7.616
22 HG22 VAL 3 2HG2 VAL 3 -13.750 -1.377 6.534
23 HG23 VAL 3 3HG2 VAL 3 -12.402 -1.228 7.663
24 H ASP 4 H ASP 4 -12.157 -3.210 3.201
25 HA ASP 4 HA ASP 4 -9.556 -4.007 2.507
26 HB2 ASP 4 2HB ASP 4 -10.557 -5.190 0.686
27 HB3 ASP 4 1HB ASP 4 -11.700 -5.251 2.026
28 H ILE 5 H ILE 5 -11.586 -1.411 1.300
29 HA ILE 5 HA ILE 5 -10.096 -0.852 -1.048
30 HB ILE 5 HB ILE 5 -11.969 0.811 0.640
31 HG12 ILE 5 2HG1 ILE 5 -12.236 -0.247 -2.189
32 HG13 ILE 5 1HG1 ILE 5 -12.795 -1.140 -0.771
33 HG21 ILE 5 1HG2 ILE 5 -10.409 1.540 -1.846
34 HG22 ILE 5 2HG2 ILE 5 -10.537 2.444 -0.337
35 HG23 ILE 5 3HG2 ILE 5 -11.920 2.345 -1.425
36 HD11 ILE 5 1HD1 ILE 5 -13.662 1.713 -1.166
37 HD12 ILE 5 2HD1 ILE 5 -14.471 0.415 -0.289
38 HD13 ILE 5 3HD1 ILE 5 -14.473 0.421 -2.052
39 H LEU 6 H LEU 6 -9.882 0.354 2.288
40 HA LEU 6 HA LEU 6 -7.832 2.251 1.705
41 HB2 LEU 6 2HB LEU 6 -8.092 2.882 3.863
42 HB3 LEU 6 1HB LEU 6 -9.519 1.849 3.808
43 HG LEU 6 HG LEU 6 -7.952 -0.062 4.545
44 HD11 LEU 6 1HD1 LEU 6 -6.160 1.627 6.019
45 HD12 LEU 6 2HD1 LEU 6 -6.035 2.057 4.314
46 HD13 LEU 6 3HD1 LEU 6 -5.762 0.393 4.826
47 HD21 LEU 6 1HD2 LEU 6 -8.411 2.251 6.454
48 HD22 LEU 6 2HD2 LEU 6 -8.205 0.556 6.899
49 HD23 LEU 6 3HD2 LEU 6 -9.633 1.063 5.998
50 H LYS 7 H LYS 7 -7.870 -1.131 2.667
51 HA LYS 7 HA LYS 7 -5.156 -1.374 3.398
52 HB2 LYS 7 2HB LYS 7 -7.384 -3.167 2.786
53 HB3 LYS 7 1HB LYS 7 -5.853 -3.807 2.221
54 HG2 LYS 7 2HG LYS 7 -6.105 -4.589 4.463
55 HG3 LYS 7 1HG LYS 7 -4.904 -3.297 4.526
56 HD2 LYS 7 2HD LYS 7 -6.366 -1.798 5.536
57 HD3 LYS 7 1HD LYS 7 -7.790 -2.600 4.875
58 HE2 LYS 7 2HE LYS 7 -7.575 -4.433 6.428
59 HE3 LYS 7 1HE LYS 7 -6.003 -3.849 6.976
60 HZ1 LYS 7 1HZ LYS 7 -7.964 -1.817 7.206
61 HZ2 LYS 7 2HZ LYS 7 -6.981 -2.499 8.413
62 HZ3 LYS 7 3HZ LYS 7 -8.473 -3.213 8.025
63 H GLY 8 H GLY 8 -6.541 -0.536 0.488
64 HA2 GLY 8 2HA GLY 8 -4.877 -1.851 -1.393
65 HA3 GLY 8 1HA GLY 8 -5.762 -0.346 -1.671
66 H ALA 9 H ALA 9 -4.645 1.309 0.217
67 HA ALA 9 HA ALA 9 -2.139 1.977 -1.024
68 HB1 ALA 9 1HB ALA 9 -3.745 3.704 -0.266
69 HB2 ALA 9 2HB ALA 9 -2.156 3.907 0.473
70 HB3 ALA 9 3HB ALA 9 -3.477 3.197 1.403
71 H ALA 10 H ALA 10 -3.172 0.428 1.937
72 HA ALA 10 HA ALA 10 -0.955 0.642 3.558
73 HB1 ALA 10 1HB ALA 10 -3.027 -0.507 4.222
74 HB2 ALA 10 2HB ALA 10 -1.614 -1.518 4.521
75 HB3 ALA 10 3HB ALA 10 -2.644 -1.832 3.124
76 H LYS 11 H LYS 11 -1.496 -1.799 1.007
77 HA LYS 11 HA LYS 11 0.901 -3.199 1.311
78 HB2 LYS 11 2HB LYS 11 0.464 -4.159 -0.790
79 HB3 LYS 11 1HB LYS 11 -1.136 -3.733 -0.182
80 HG2 LYS 11 2HG LYS 11 -0.678 -1.452 -1.434
81 HG3 LYS 11 1HG LYS 11 0.480 -2.424 -2.351
82 HD2 LYS 11 2HD LYS 11 -2.473 -3.036 -2.006
83 HD3 LYS 11 1HD LYS 11 -1.711 -2.417 -3.471
84 HE2 LYS 11 2HE LYS 11 -1.791 -4.714 -3.906
85 HE3 LYS 11 1HE LYS 11 -0.168 -4.527 -3.241
86 HZ1 LYS 11 1HZ LYS 11 -1.980 -6.268 -2.326
87 HZ2 LYS 11 2HZ LYS 11 -2.257 -4.954 -1.285
88 HZ3 LYS 11 3HZ LYS 11 -0.709 -5.646 -1.391
89 H ASP 12 H ASP 12 0.237 -0.132 -0.234
90 HA ASP 12 HA ASP 12 2.687 0.068 -1.686
91 HB2 ASP 12 2HB ASP 12 0.405 1.398 -1.834
92 HB3 ASP 12 1HB ASP 12 1.221 2.486 -0.711
93 H ILE 13 H ILE 13 1.559 1.365 1.426
94 HA ILE 13 HA ILE 13 3.815 2.804 2.173
95 HB ILE 13 HB ILE 13 1.915 1.181 3.885
96 HG12 ILE 13 2HG1 ILE 13 2.070 4.166 3.359
97 HG13 ILE 13 1HG1 ILE 13 0.981 3.075 2.502
98 HG21 ILE 13 1HG2 ILE 13 2.762 2.787 5.689
99 HG22 ILE 13 2HG2 ILE 13 4.091 3.163 4.594
100 HG23 ILE 13 3HG2 ILE 13 3.885 1.519 5.199
101 HD11 ILE 13 1HD1 ILE 13 1.017 3.660 5.473
102 HD12 ILE 13 2HD1 ILE 13 0.065 2.365 4.747
103 HD13 ILE 13 3HD1 ILE 13 -0.265 4.046 4.325
104 H ALA 14 H ALA 14 3.286 -0.588 1.912
105 HA ALA 14 HA ALA 14 5.799 -1.203 3.337
106 HB1 ALA 14 1HB ALA 14 5.007 -3.564 3.177
107 HB2 ALA 14 2HB ALA 14 3.537 -2.979 2.400
108 HB3 ALA 14 3HB ALA 14 3.899 -2.515 4.062
109 H GLY 15 H GLY 15 4.400 -1.038 0.177
110 HA2 GLY 15 2HA GLY 15 6.596 -2.619 -0.995
111 HA3 GLY 15 1HA GLY 15 5.113 -2.135 -1.822
112 H HIS 16 H HIS 16 4.865 0.407 -1.808
113 HA HIS 16 HA HIS 16 6.744 1.475 -3.535
114 HB2 HIS 16 2HB HIS 16 4.630 2.542 -3.366
115 HB3 HIS 16 1HB HIS 16 4.803 2.770 -1.627
116 HD2 HIS 16 2HD HIS 16 5.333 5.417 -1.198
117 HE1 HIS 16 1HE HIS 16 7.825 6.113 -4.533
118 HE2 HIS 16 2HE HIS 16 6.797 7.171 -2.466
119 H LEU 17 H LEU 17 6.612 1.596 0.000
120 HA LEU 17 HA LEU 17 8.804 3.378 0.337
121 HB2 LEU 17 2HB LEU 17 7.385 1.382 2.089
122 HB3 LEU 17 1HB LEU 17 8.773 2.299 2.667
123 HG LEU 17 HG LEU 17 6.433 3.270 3.125
124 HD11 LEU 17 1HD1 LEU 17 8.733 4.482 3.140
125 HD12 LEU 17 2HD1 LEU 17 7.273 5.466 3.083
126 HD13 LEU 17 3HD1 LEU 17 8.202 5.182 1.611
127 HD21 LEU 17 1HD2 LEU 17 5.352 4.480 1.356
128 HD22 LEU 17 2HD2 LEU 17 5.634 2.845 0.763
129 HD23 LEU 17 3HD2 LEU 17 6.683 4.165 0.245
130 H ALA 18 H ALA 18 8.457 -0.138 0.278
131 HA ALA 18 HA ALA 18 11.172 -0.717 0.929
132 HB1 ALA 18 1HB ALA 18 10.627 -2.998 0.135
133 HB2 ALA 18 2HB ALA 18 9.090 -2.398 -0.488
134 HB3 ALA 18 3HB ALA 18 9.407 -2.377 1.247
135 H SER 19 H SER 19 9.489 0.025 -2.037
136 HA SER 19 HA SER 19 11.580 -0.911 -3.772
137 HB2 SER 19 2HB SER 19 9.085 -0.631 -4.343
138 HB3 SER 19 1HB SER 19 9.452 1.082 -4.522
139 HG SER 19 HG SER 19 10.253 -1.110 -6.050
140 H LYS 20 H LYS 20 10.664 2.134 -2.279
141 HA LYS 20 HA LYS 20 12.183 3.930 -3.746
142 HB2 LYS 20 2HB LYS 20 10.629 4.679 -2.055
143 HB3 LYS 20 1HB LYS 20 11.606 3.915 -0.800
144 HG2 LYS 20 2HG LYS 20 13.378 5.456 -1.063
145 HG3 LYS 20 1HG LYS 20 12.787 5.991 -2.637
146 HD2 LYS 20 2HD LYS 20 10.974 7.185 -1.671
147 HD3 LYS 20 1HD LYS 20 11.174 6.384 -0.111
148 HE2 LYS 20 2HE LYS 20 13.330 8.128 -1.316
149 HE3 LYS 20 1HE LYS 20 12.067 8.777 -0.269
150 HZ1 LYS 20 1HZ LYS 20 13.449 6.405 0.689
151 HZ2 LYS 20 2HZ LYS 20 12.919 7.775 1.542
152 HZ3 LYS 20 3HZ LYS 20 14.363 7.833 0.650
153 H VAL 21 H VAL 21 13.165 1.862 -1.043
154 HA VAL 21 HA VAL 21 15.854 2.874 -0.983
155 HB VAL 21 HB VAL 21 14.931 1.947 1.042
156 HG11 VAL 21 1HG1 VAL 21 14.505 -0.520 -0.659
157 HG12 VAL 21 2HG1 VAL 21 13.289 0.419 0.205
158 HG13 VAL 21 3HG1 VAL 21 14.452 -0.555 1.103
159 HG21 VAL 21 1HG2 VAL 21 16.909 -0.099 0.013
160 HG22 VAL 21 2HG2 VAL 21 16.717 0.489 1.665
161 HG23 VAL 21 3HG2 VAL 21 17.386 1.549 0.424
162 H MET 22 H MET 22 14.164 0.571 -2.884
163 HA MET 22 HA MET 22 16.620 -0.079 -4.317
164 HB2 MET 22 2HB MET 22 16.184 -2.509 -4.244
165 HB3 MET 22 1HB MET 22 16.530 -1.851 -2.638
166 HG2 MET 22 2HG MET 22 14.536 -2.602 -1.893
167 HG3 MET 22 1HG MET 22 13.717 -1.607 -3.104
168 HE1 MET 22 1HE MET 22 16.199 -4.778 -3.631
169 HE2 MET 22 2HE MET 22 14.961 -5.994 -3.323
170 HE3 MET 22 3HE MET 22 15.327 -4.787 -2.092
171 HN1 NH2 23 HN1 NH2 23 15.057 1.434 -5.686
172 HN2 NH2 23 HN2 NH2 23 13.972 0.611 -6.699
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -16.540 -4.712 1.509
2 H2 GLY 1 2HT GLY 1 -15.035 -5.415 1.859
3 H3 GLY 1 3HT GLY 1 -15.110 -3.896 1.101
4 HA2 GLY 1 2HA GLY 1 -16.579 -3.681 3.451
5 HA3 GLY 1 1HA GLY 1 -15.058 -4.489 3.852
6 H VAL 2 H VAL 2 -15.952 -1.756 4.500
7 HA VAL 2 HA VAL 2 -14.623 0.152 2.879
8 HB VAL 2 HB VAL 2 -15.325 0.278 5.822
9 HG11 VAL 2 1HG1 VAL 2 -13.721 1.998 5.321
10 HG12 VAL 2 2HG1 VAL 2 -15.306 2.769 5.326
11 HG13 VAL 2 3HG1 VAL 2 -14.519 2.381 3.797
12 HG21 VAL 2 1HG2 VAL 2 -16.815 1.354 3.410
13 HG22 VAL 2 2HG2 VAL 2 -17.360 1.370 5.086
14 HG23 VAL 2 3HG2 VAL 2 -17.224 -0.160 4.218
15 H VAL 3 H VAL 3 -13.535 -2.021 5.363
16 HA VAL 3 HA VAL 3 -11.122 -0.678 6.045
17 HB VAL 3 HB VAL 3 -11.643 -3.653 6.178
18 HG11 VAL 3 1HG1 VAL 3 -9.865 -1.750 7.733
19 HG12 VAL 3 2HG1 VAL 3 -9.335 -3.015 6.624
20 HG13 VAL 3 3HG1 VAL 3 -10.112 -3.445 8.149
21 HG21 VAL 3 1HG2 VAL 3 -12.521 -3.191 8.451
22 HG22 VAL 3 2HG2 VAL 3 -13.512 -2.422 7.212
23 HG23 VAL 3 3HG2 VAL 3 -12.370 -1.460 8.150
24 H ASP 4 H ASP 4 -11.734 -3.476 3.906
25 HA ASP 4 HA ASP 4 -9.150 -3.855 2.969
26 HB2 ASP 4 2HB ASP 4 -10.155 -4.946 1.039
27 HB3 ASP 4 1HB ASP 4 -11.062 -5.363 2.492
28 H ILE 5 H ILE 5 -11.550 -1.474 1.986
29 HA ILE 5 HA ILE 5 -10.366 -0.593 -0.394
30 HB ILE 5 HB ILE 5 -11.957 0.932 1.677
31 HG12 ILE 5 2HG1 ILE 5 -12.741 -0.218 -1.023
32 HG13 ILE 5 1HG1 ILE 5 -13.049 -1.019 0.519
33 HG21 ILE 5 1HG2 ILE 5 -12.369 2.482 -0.319
34 HG22 ILE 5 2HG2 ILE 5 -10.997 1.688 -1.092
35 HG23 ILE 5 3HG2 ILE 5 -10.768 2.578 0.414
36 HD11 ILE 5 1HD1 ILE 5 -15.028 0.104 0.450
37 HD12 ILE 5 2HD1 ILE 5 -14.426 1.283 -0.714
38 HD13 ILE 5 3HD1 ILE 5 -14.075 1.481 1.002
39 H LEU 6 H LEU 6 -9.686 0.248 2.976
40 HA LEU 6 HA LEU 6 -7.854 2.337 2.354
41 HB2 LEU 6 2HB LEU 6 -7.746 2.639 4.599
42 HB3 LEU 6 1HB LEU 6 -9.150 1.573 4.608
43 HG LEU 6 HG LEU 6 -7.429 -0.360 4.784
44 HD11 LEU 6 1HD1 LEU 6 -5.539 1.248 6.270
45 HD12 LEU 6 2HD1 LEU 6 -5.634 1.841 4.613
46 HD13 LEU 6 3HD1 LEU 6 -5.236 0.154 4.923
47 HD21 LEU 6 1HD2 LEU 6 -7.318 -0.073 7.248
48 HD22 LEU 6 2HD2 LEU 6 -8.918 0.311 6.613
49 HD23 LEU 6 3HD2 LEU 6 -7.812 1.610 7.059
50 H LYS 7 H LYS 7 -7.561 -1.136 2.840
51 HA LYS 7 HA LYS 7 -4.768 -1.302 3.101
52 HB2 LYS 7 2HB LYS 7 -6.979 -3.126 2.519
53 HB3 LYS 7 1HB LYS 7 -5.520 -3.567 1.657
54 HG2 LYS 7 2HG LYS 7 -5.409 -4.698 3.756
55 HG3 LYS 7 1HG LYS 7 -4.274 -3.351 3.866
56 HD2 LYS 7 2HD LYS 7 -5.669 -2.115 5.269
57 HD3 LYS 7 1HD LYS 7 -7.118 -2.950 4.713
58 HE2 LYS 7 2HE LYS 7 -6.674 -4.857 6.021
59 HE3 LYS 7 1HE LYS 7 -4.971 -4.442 6.212
60 HZ1 LYS 7 1HZ LYS 7 -6.244 -3.998 8.226
61 HZ2 LYS 7 2HZ LYS 7 -7.248 -2.927 7.370
62 HZ3 LYS 7 3HZ LYS 7 -5.600 -2.567 7.579
63 H GLY 8 H GLY 8 -6.654 -0.198 0.560
64 HA2 GLY 8 2HA GLY 8 -5.266 -1.065 -1.729
65 HA3 GLY 8 1HA GLY 8 -6.185 0.439 -1.603
66 H ALA 9 H ALA 9 -4.826 1.868 0.254
67 HA ALA 9 HA ALA 9 -2.504 2.720 -1.214
68 HB1 ALA 9 1HB ALA 9 -2.393 4.525 0.335
69 HB2 ALA 9 2HB ALA 9 -3.334 3.642 1.539
70 HB3 ALA 9 3HB ALA 9 -4.110 4.227 0.067
71 H ALA 10 H ALA 10 -3.133 0.836 1.672
72 HA ALA 10 HA ALA 10 -0.658 0.886 2.930
73 HB1 ALA 10 1HB ALA 10 -2.399 -1.567 2.627
74 HB2 ALA 10 2HB ALA 10 -2.740 -0.260 3.760
75 HB3 ALA 10 3HB ALA 10 -1.268 -1.214 3.932
76 H LYS 11 H LYS 11 -1.693 -0.886 0.067
77 HA LYS 11 HA LYS 11 0.435 -2.683 -0.167
78 HB2 LYS 11 2HB LYS 11 -1.537 -1.426 -2.022
79 HB3 LYS 11 1HB LYS 11 -0.163 -2.266 -2.726
80 HG2 LYS 11 2HG LYS 11 -0.797 -4.336 -1.859
81 HG3 LYS 11 1HG LYS 11 -1.725 -3.608 -0.540
82 HD2 LYS 11 2HD LYS 11 -3.423 -2.837 -2.141
83 HD3 LYS 11 1HD LYS 11 -2.497 -3.530 -3.474
84 HE2 LYS 11 2HE LYS 11 -2.659 -5.748 -2.076
85 HE3 LYS 11 1HE LYS 11 -4.020 -4.940 -1.299
86 HZ1 LYS 11 1HZ LYS 11 -3.762 -5.134 -4.240
87 HZ2 LYS 11 2HZ LYS 11 -5.142 -4.738 -3.331
88 HZ3 LYS 11 3HZ LYS 11 -4.541 -6.328 -3.320
89 H ASP 12 H ASP 12 0.098 0.679 -1.260
90 HA ASP 12 HA ASP 12 2.634 0.746 -2.596
91 HB2 ASP 12 2HB ASP 12 0.487 2.270 -2.803
92 HB3 ASP 12 1HB ASP 12 1.304 3.218 -1.560
93 H ILE 13 H ILE 13 1.425 1.971 0.514
94 HA ILE 13 HA ILE 13 3.780 3.138 1.458
95 HB ILE 13 HB ILE 13 1.597 1.695 2.986
96 HG12 ILE 13 2HG1 ILE 13 2.067 4.663 2.603
97 HG13 ILE 13 1HG1 ILE 13 0.994 3.722 1.569
98 HG21 ILE 13 1HG2 ILE 13 2.486 3.226 4.862
99 HG22 ILE 13 2HG2 ILE 13 3.937 3.388 3.872
100 HG23 ILE 13 3HG2 ILE 13 3.447 1.802 4.469
101 HD11 ILE 13 1HD1 ILE 13 -0.100 4.915 3.561
102 HD12 ILE 13 2HD1 ILE 13 0.715 3.726 4.578
103 HD13 ILE 13 3HD1 ILE 13 -0.464 3.199 3.376
104 H ALA 14 H ALA 14 2.847 -0.152 1.052
105 HA ALA 14 HA ALA 14 5.178 -1.116 2.590
106 HB1 ALA 14 1HB ALA 14 2.786 -2.606 1.487
107 HB2 ALA 14 2HB ALA 14 3.041 -2.147 3.170
108 HB3 ALA 14 3HB ALA 14 4.102 -3.333 2.408
109 H GLY 15 H GLY 15 3.963 -0.711 -0.620
110 HA2 GLY 15 2HA GLY 15 5.981 -2.549 -1.737
111 HA3 GLY 15 1HA GLY 15 4.616 -1.851 -2.615
112 H HIS 16 H HIS 16 4.709 0.696 -2.562
113 HA HIS 16 HA HIS 16 6.803 1.531 -4.164
114 HB2 HIS 16 2HB HIS 16 4.848 2.872 -4.086
115 HB3 HIS 16 1HB HIS 16 4.949 3.046 -2.334
116 HD2 HIS 16 2HD HIS 16 5.825 5.576 -1.793
117 HE1 HIS 16 1HE HIS 16 8.546 6.004 -4.992
118 HE2 HIS 16 2HE HIS 16 7.579 7.140 -2.937
119 H LEU 17 H LEU 17 6.498 1.623 -0.638
120 HA LEU 17 HA LEU 17 8.892 3.085 -0.158
121 HB2 LEU 17 2HB LEU 17 7.125 1.286 1.491
122 HB3 LEU 17 1HB LEU 17 8.595 1.998 2.151
123 HG LEU 17 HG LEU 17 6.356 3.261 2.490
124 HD11 LEU 17 1HD1 LEU 17 7.486 5.366 2.503
125 HD12 LEU 17 2HD1 LEU 17 8.593 4.857 1.232
126 HD13 LEU 17 3HD1 LEU 17 8.717 4.151 2.842
127 HD21 LEU 17 1HD2 LEU 17 5.640 4.703 0.694
128 HD22 LEU 17 2HD2 LEU 17 5.680 3.056 0.075
129 HD23 LEU 17 3HD2 LEU 17 6.974 4.182 -0.330
130 H ALA 18 H ALA 18 8.076 -0.351 -0.290
131 HA ALA 18 HA ALA 18 10.472 -1.449 0.608
132 HB1 ALA 18 1HB ALA 18 9.862 -3.443 -0.714
133 HB2 ALA 18 2HB ALA 18 8.635 -2.499 -1.558
134 HB3 ALA 18 3HB ALA 18 8.478 -2.802 0.172
135 H SER 19 H SER 19 9.749 0.147 -2.386
136 HA SER 19 HA SER 19 12.051 -0.869 -3.791
137 HB2 SER 19 2HB SER 19 9.813 -0.010 -4.789
138 HB3 SER 19 1HB SER 19 10.519 1.590 -4.581
139 HG SER 19 HG SER 19 11.865 1.190 -6.157
140 H LYS 20 H LYS 20 11.138 2.169 -2.200
141 HA LYS 20 HA LYS 20 13.353 3.715 -2.829
142 HB2 LYS 20 2HB LYS 20 11.231 4.364 -1.544
143 HB3 LYS 20 1HB LYS 20 12.089 3.773 -0.118
144 HG2 LYS 20 2HG LYS 20 14.023 5.295 -0.835
145 HG3 LYS 20 1HG LYS 20 12.879 6.041 -1.949
146 HD2 LYS 20 2HD LYS 20 12.333 5.758 1.016
147 HD3 LYS 20 1HD LYS 20 13.096 7.184 0.315
148 HE2 LYS 20 2HE LYS 20 10.340 6.100 -0.324
149 HE3 LYS 20 1HE LYS 20 10.721 7.616 0.488
150 HZ1 LYS 20 1HZ LYS 20 12.132 7.800 -1.802
151 HZ2 LYS 20 2HZ LYS 20 10.601 8.489 -1.544
152 HZ3 LYS 20 3HZ LYS 20 10.739 6.983 -2.319
153 H VAL 21 H VAL 21 12.944 1.369 -0.209
154 HA VAL 21 HA VAL 21 15.485 1.839 0.986
155 HB VAL 21 HB VAL 21 13.751 0.772 2.278
156 HG11 VAL 21 1HG1 VAL 21 12.994 -1.541 1.653
157 HG12 VAL 21 2HG1 VAL 21 13.852 -1.356 0.122
158 HG13 VAL 21 3HG1 VAL 21 12.494 -0.298 0.507
159 HG21 VAL 21 1HG2 VAL 21 15.781 -1.387 1.665
160 HG22 VAL 21 2HG2 VAL 21 15.000 -1.039 3.208
161 HG23 VAL 21 3HG2 VAL 21 16.202 0.075 2.556
162 H MET 22 H MET 22 14.510 0.216 -1.861
163 HA MET 22 HA MET 22 17.254 -0.611 -2.367
164 HB2 MET 22 2HB MET 22 16.638 -2.922 -2.944
165 HB3 MET 22 1HB MET 22 16.333 -2.579 -1.235
166 HG2 MET 22 2HG MET 22 14.162 -3.130 -1.510
167 HG3 MET 22 1HG MET 22 13.994 -1.837 -2.705
168 HE1 MET 22 1HE MET 22 12.396 -4.871 -2.782
169 HE2 MET 22 2HE MET 22 12.227 -4.638 -4.521
170 HE3 MET 22 3HE MET 22 12.122 -3.251 -3.439
171 HN1 NH2 23 HN1 NH2 23 16.284 1.384 -3.807
172 HN2 NH2 23 HN2 NH2 23 15.714 0.890 -5.327
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -15.702 -4.858 2.720
2 H2 GLY 1 2HT GLY 1 -16.263 -3.858 3.972
3 H3 GLY 1 3HT GLY 1 -14.624 -3.827 3.525
4 HA2 GLY 1 2HA GLY 1 -15.982 -3.288 1.199
5 HA3 GLY 1 1HA GLY 1 -16.813 -2.358 2.455
6 H VAL 2 H VAL 2 -15.891 -0.521 3.185
7 HA VAL 2 HA VAL 2 -13.832 0.765 1.860
8 HB VAL 2 HB VAL 2 -14.700 1.124 4.738
9 HG11 VAL 2 1HG1 VAL 2 -12.587 2.219 4.465
10 HG12 VAL 2 2HG1 VAL 2 -13.813 3.476 4.301
11 HG13 VAL 2 3HG1 VAL 2 -13.028 2.817 2.865
12 HG21 VAL 2 1HG2 VAL 2 -16.043 2.989 3.739
13 HG22 VAL 2 2HG2 VAL 2 -16.548 1.397 3.170
14 HG23 VAL 2 3HG2 VAL 2 -15.560 2.431 2.137
15 H VAL 3 H VAL 3 -13.664 -1.610 4.393
16 HA VAL 3 HA VAL 3 -11.095 -1.133 5.399
17 HB VAL 3 HB VAL 3 -12.565 -3.752 5.030
18 HG11 VAL 3 1HG1 VAL 3 -10.270 -4.299 5.370
19 HG12 VAL 3 2HG1 VAL 3 -11.019 -4.425 6.961
20 HG13 VAL 3 3HG1 VAL 3 -10.059 -3.004 6.548
21 HG21 VAL 3 1HG2 VAL 3 -12.379 -1.728 7.275
22 HG22 VAL 3 2HG2 VAL 3 -12.961 -3.374 7.523
23 HG23 VAL 3 3HG2 VAL 3 -13.831 -2.285 6.444
24 H ASP 4 H ASP 4 -12.088 -3.356 2.785
25 HA ASP 4 HA ASP 4 -9.436 -4.071 2.057
26 HB2 ASP 4 2HB ASP 4 -10.431 -5.102 0.118
27 HB3 ASP 4 1HB ASP 4 -11.492 -5.389 1.496
28 H ILE 5 H ILE 5 -11.562 -1.447 1.147
29 HA ILE 5 HA ILE 5 -10.160 -0.627 -1.187
30 HB ILE 5 HB ILE 5 -11.835 1.051 0.696
31 HG12 ILE 5 2HG1 ILE 5 -12.830 -1.134 -0.386
32 HG13 ILE 5 1HG1 ILE 5 -13.750 0.370 -0.468
33 HG21 ILE 5 1HG2 ILE 5 -10.815 1.425 -2.120
34 HG22 ILE 5 2HG2 ILE 5 -10.671 2.521 -0.746
35 HG23 ILE 5 3HG2 ILE 5 -12.234 2.292 -1.532
36 HD11 ILE 5 1HD1 ILE 5 -13.483 -1.006 -2.650
37 HD12 ILE 5 2HD1 ILE 5 -11.832 -0.390 -2.670
38 HD13 ILE 5 3HD1 ILE 5 -13.190 0.731 -2.732
39 H LEU 6 H LEU 6 -9.782 0.043 2.244
40 HA LEU 6 HA LEU 6 -7.836 2.131 1.817
41 HB2 LEU 6 2HB LEU 6 -8.308 2.622 3.952
42 HB3 LEU 6 1HB LEU 6 -9.454 1.282 3.957
43 HG LEU 6 HG LEU 6 -7.522 -0.238 4.589
44 HD11 LEU 6 1HD1 LEU 6 -5.422 0.586 4.554
45 HD12 LEU 6 2HD1 LEU 6 -5.861 1.763 5.790
46 HD13 LEU 6 3HD1 LEU 6 -6.037 2.169 4.084
47 HD21 LEU 6 1HD2 LEU 6 -9.036 0.387 6.316
48 HD22 LEU 6 2HD2 LEU 6 -8.416 2.037 6.367
49 HD23 LEU 6 3HD2 LEU 6 -7.430 0.706 6.972
50 H LYS 7 H LYS 7 -7.789 -1.317 2.588
51 HA LYS 7 HA LYS 7 -5.131 -1.646 3.296
52 HB2 LYS 7 2HB LYS 7 -7.274 -3.333 2.492
53 HB3 LYS 7 1HB LYS 7 -5.869 -3.775 1.545
54 HG2 LYS 7 2HG LYS 7 -5.757 -5.090 3.534
55 HG3 LYS 7 1HG LYS 7 -4.544 -3.820 3.707
56 HD2 LYS 7 2HD LYS 7 -5.562 -3.390 5.697
57 HD3 LYS 7 1HD LYS 7 -6.779 -2.589 4.703
58 HE2 LYS 7 2HE LYS 7 -8.033 -4.072 6.052
59 HE3 LYS 7 1HE LYS 7 -7.885 -4.916 4.511
60 HZ1 LYS 7 1HZ LYS 7 -6.681 -5.525 7.084
61 HZ2 LYS 7 2HZ LYS 7 -5.682 -5.750 5.728
62 HZ3 LYS 7 3HZ LYS 7 -7.167 -6.568 5.838
63 H GLY 8 H GLY 8 -6.387 -0.433 0.421
64 HA2 GLY 8 2HA GLY 8 -4.575 -1.352 -1.523
65 HA3 GLY 8 1HA GLY 8 -5.422 0.200 -1.574
66 H ALA 9 H ALA 9 -4.442 1.523 0.575
67 HA ALA 9 HA ALA 9 -1.807 2.268 -0.317
68 HB1 ALA 9 1HB ALA 9 -1.955 4.027 1.316
69 HB2 ALA 9 2HB ALA 9 -3.273 3.210 2.156
70 HB3 ALA 9 3HB ALA 9 -3.536 3.883 0.547
71 H ALA 10 H ALA 10 -3.170 0.393 2.311
72 HA ALA 10 HA ALA 10 -1.118 0.331 4.149
73 HB1 ALA 10 1HB ALA 10 -1.928 -1.897 4.779
74 HB2 ALA 10 2HB ALA 10 -2.821 -2.008 3.263
75 HB3 ALA 10 3HB ALA 10 -3.278 -0.805 4.468
76 H LYS 11 H LYS 11 -1.470 -1.786 1.294
77 HA LYS 11 HA LYS 11 1.014 -3.125 1.733
78 HB2 LYS 11 2HB LYS 11 0.603 -4.237 -0.308
79 HB3 LYS 11 1HB LYS 11 -0.999 -3.945 0.368
80 HG2 LYS 11 2HG LYS 11 -0.832 -1.696 -1.021
81 HG3 LYS 11 1HG LYS 11 0.352 -2.614 -1.961
82 HD2 LYS 11 2HD LYS 11 -2.493 -3.501 -1.375
83 HD3 LYS 11 1HD LYS 11 -1.928 -2.836 -2.907
84 HE2 LYS 11 2HE LYS 11 -0.967 -5.396 -1.597
85 HE3 LYS 11 1HE LYS 11 -1.950 -5.271 -3.056
86 HZ1 LYS 11 1HZ LYS 11 0.356 -5.611 -3.621
87 HZ2 LYS 11 2HZ LYS 11 0.819 -4.250 -2.716
88 HZ3 LYS 11 3HZ LYS 11 -0.128 -4.063 -4.114
89 H ASP 12 H ASP 12 0.063 -0.231 0.010
90 HA ASP 12 HA ASP 12 2.449 0.044 -1.537
91 HB2 ASP 12 2HB ASP 12 0.071 1.182 -1.714
92 HB3 ASP 12 1HB ASP 12 0.820 2.407 -0.690
93 H ILE 13 H ILE 13 1.308 1.487 1.503
94 HA ILE 13 HA ILE 13 3.449 3.153 2.074
95 HB ILE 13 HB ILE 13 1.720 1.500 3.929
96 HG12 ILE 13 2HG1 ILE 13 1.681 4.480 3.404
97 HG13 ILE 13 1HG1 ILE 13 0.732 3.348 2.440
98 HG21 ILE 13 1HG2 ILE 13 3.815 3.605 4.497
99 HG22 ILE 13 2HG2 ILE 13 3.679 1.991 5.194
100 HG23 ILE 13 3HG2 ILE 13 2.517 3.242 5.634
101 HD11 ILE 13 1HD1 ILE 13 -0.423 2.552 4.435
102 HD12 ILE 13 2HD1 ILE 13 -0.568 4.307 4.342
103 HD13 ILE 13 3HD1 ILE 13 0.584 3.575 5.459
104 H ALA 14 H ALA 14 3.214 -0.284 2.066
105 HA ALA 14 HA ALA 14 5.824 -0.573 3.418
106 HB1 ALA 14 1HB ALA 14 4.019 -1.953 4.313
107 HB2 ALA 14 2HB ALA 14 5.244 -2.969 3.553
108 HB3 ALA 14 3HB ALA 14 3.727 -2.639 2.715
109 H GLY 15 H GLY 15 4.287 -0.782 0.328
110 HA2 GLY 15 2HA GLY 15 6.553 -2.284 -0.817
111 HA3 GLY 15 1HA GLY 15 5.003 -1.983 -1.611
112 H HIS 16 H HIS 16 4.553 0.512 -1.811
113 HA HIS 16 HA HIS 16 6.281 1.574 -3.691
114 HB2 HIS 16 2HB HIS 16 4.113 2.500 -3.562
115 HB3 HIS 16 1HB HIS 16 4.275 2.847 -1.840
116 HD2 HIS 16 2HD HIS 16 4.565 5.559 -1.594
117 HE1 HIS 16 1HE HIS 16 7.020 6.239 -4.960
118 HE2 HIS 16 2HE HIS 16 5.890 7.341 -2.970
119 H LEU 17 H LEU 17 6.238 2.017 -0.175
120 HA LEU 17 HA LEU 17 8.272 3.995 -0.074
121 HB2 LEU 17 2HB LEU 17 7.115 2.031 1.892
122 HB3 LEU 17 1HB LEU 17 8.432 3.115 2.333
123 HG LEU 17 HG LEU 17 6.020 3.898 2.814
124 HD11 LEU 17 1HD1 LEU 17 8.171 5.316 2.700
125 HD12 LEU 17 2HD1 LEU 17 6.637 6.166 2.538
126 HD13 LEU 17 3HD1 LEU 17 7.604 5.817 1.108
127 HD21 LEU 17 1HD2 LEU 17 4.787 4.883 1.000
128 HD22 LEU 17 2HD2 LEU 17 5.182 3.233 0.527
129 HD23 LEU 17 3HD2 LEU 17 6.102 4.585 -0.134
130 H ALA 18 H ALA 18 8.264 0.471 0.150
131 HA ALA 18 HA ALA 18 11.002 0.140 0.780
132 HB1 ALA 18 1HB ALA 18 9.161 -1.744 -0.714
133 HB2 ALA 18 2HB ALA 18 9.318 -1.649 1.040
134 HB3 ALA 18 3HB ALA 18 10.686 -2.179 0.060
135 H SER 19 H SER 19 9.294 0.634 -2.235
136 HA SER 19 HA SER 19 11.059 -0.240 -4.141
137 HB2 SER 19 2HB SER 19 8.817 1.046 -4.394
138 HB3 SER 19 1HB SER 19 9.826 2.490 -4.386
139 HG SER 19 HG SER 19 10.219 0.246 -6.083
140 H LYS 20 H LYS 20 11.459 2.416 -1.926
141 HA LYS 20 HA LYS 20 13.448 3.884 -3.230
142 HB2 LYS 20 2HB LYS 20 12.405 4.776 -1.268
143 HB3 LYS 20 1HB LYS 20 12.968 3.408 -0.307
144 HG2 LYS 20 2HG LYS 20 15.223 4.110 -0.398
145 HG3 LYS 20 1HG LYS 20 14.917 5.199 -1.751
146 HD2 LYS 20 2HD LYS 20 13.449 5.673 0.823
147 HD3 LYS 20 1HD LYS 20 15.145 6.143 0.724
148 HE2 LYS 20 2HE LYS 20 14.720 7.592 -1.148
149 HE3 LYS 20 1HE LYS 20 13.077 6.977 -1.324
150 HZ1 LYS 20 1HZ LYS 20 13.523 9.191 -0.064
151 HZ2 LYS 20 2HZ LYS 20 13.891 8.160 1.236
152 HZ3 LYS 20 3HZ LYS 20 12.355 8.105 0.513
153 H VAL 21 H VAL 21 13.778 1.214 -0.902
154 HA VAL 21 HA VAL 21 16.641 1.078 -1.283
155 HB VAL 21 HB VAL 21 15.791 0.510 0.893
156 HG11 VAL 21 1HG1 VAL 21 14.317 -1.599 1.061
157 HG12 VAL 21 2HG1 VAL 21 14.014 -1.373 -0.661
158 HG13 VAL 21 3HG1 VAL 21 13.544 -0.121 0.488
159 HG21 VAL 21 1HG2 VAL 21 17.665 -0.904 -0.223
160 HG22 VAL 21 2HG2 VAL 21 16.441 -2.169 -0.340
161 HG23 VAL 21 3HG2 VAL 21 16.912 -1.541 1.239
162 H MET 22 H MET 22 14.007 0.052 -3.058
163 HA MET 22 HA MET 22 15.668 -1.624 -4.733
164 HB2 MET 22 2HB MET 22 14.088 -3.556 -4.648
165 HB3 MET 22 1HB MET 22 14.973 -3.301 -3.137
166 HG2 MET 22 2HG MET 22 13.037 -3.018 -2.012
167 HG3 MET 22 1HG MET 22 12.577 -1.704 -3.102
168 HE1 MET 22 1HE MET 22 13.109 -5.554 -3.091
169 HE2 MET 22 2HE MET 22 11.454 -6.129 -3.268
170 HE3 MET 22 3HE MET 22 11.901 -5.177 -1.855
171 HN1 NH2 23 HN1 NH2 23 14.906 0.477 -5.934
172 HN2 NH2 23 HN2 NH2 23 13.441 0.352 -6.784
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -16.590 -2.711 3.270
2 H2 GLY 1 2HT GLY 1 -14.938 -2.968 2.966
3 H3 GLY 1 3HT GLY 1 -16.097 -4.045 2.347
4 HA2 GLY 1 2HA GLY 1 -15.906 -2.872 0.466
5 HA3 GLY 1 1HA GLY 1 -16.954 -1.722 1.312
6 H VAL 2 H VAL 2 -16.200 0.289 1.597
7 HA VAL 2 HA VAL 2 -13.899 1.292 0.477
8 HB VAL 2 HB VAL 2 -15.118 2.391 3.014
9 HG11 VAL 2 1HG1 VAL 2 -14.356 4.517 2.154
10 HG12 VAL 2 2HG1 VAL 2 -13.887 3.785 0.621
11 HG13 VAL 2 3HG1 VAL 2 -12.994 3.400 2.090
12 HG21 VAL 2 1HG2 VAL 2 -16.979 1.997 1.570
13 HG22 VAL 2 2HG2 VAL 2 -16.068 2.492 0.142
14 HG23 VAL 2 3HG2 VAL 2 -16.558 3.693 1.338
15 H VAL 3 H VAL 3 -14.269 -0.384 3.498
16 HA VAL 3 HA VAL 3 -11.891 0.445 4.777
17 HB VAL 3 HB VAL 3 -13.127 -2.293 5.050
18 HG11 VAL 3 1HG1 VAL 3 -10.983 -1.699 6.245
19 HG12 VAL 3 2HG1 VAL 3 -12.314 -2.127 7.319
20 HG13 VAL 3 3HG1 VAL 3 -11.874 -0.435 7.091
21 HG21 VAL 3 1HG2 VAL 3 -14.538 -1.122 6.848
22 HG22 VAL 3 2HG2 VAL 3 -15.010 -0.832 5.173
23 HG23 VAL 3 3HG2 VAL 3 -14.095 0.391 6.057
24 H ASP 4 H ASP 4 -12.566 -2.496 2.860
25 HA ASP 4 HA ASP 4 -9.996 -3.573 2.892
26 HB2 ASP 4 2HB ASP 4 -10.650 -4.858 0.964
27 HB3 ASP 4 1HB ASP 4 -12.061 -4.695 2.006
28 H ILE 5 H ILE 5 -11.367 -1.037 0.870
29 HA ILE 5 HA ILE 5 -9.335 -0.873 -1.059
30 HB ILE 5 HB ILE 5 -10.899 1.461 0.058
31 HG12 ILE 5 2HG1 ILE 5 -11.675 -0.650 -1.980
32 HG13 ILE 5 1HG1 ILE 5 -12.477 -0.315 -0.442
33 HG21 ILE 5 1HG2 ILE 5 -10.553 2.430 -2.115
34 HG22 ILE 5 2HG2 ILE 5 -9.905 0.919 -2.752
35 HG23 ILE 5 3HG2 ILE 5 -8.982 1.847 -1.571
36 HD11 ILE 5 1HD1 ILE 5 -12.768 2.098 -1.399
37 HD12 ILE 5 2HD1 ILE 5 -13.833 0.821 -1.986
38 HD13 ILE 5 3HD1 ILE 5 -12.457 1.338 -2.959
39 H LEU 6 H LEU 6 -9.477 0.203 2.257
40 HA LEU 6 HA LEU 6 -7.197 1.947 2.057
41 HB2 LEU 6 2HB LEU 6 -7.916 2.652 4.060
42 HB3 LEU 6 1HB LEU 6 -9.240 1.495 3.935
43 HG LEU 6 HG LEU 6 -7.692 -0.234 4.959
44 HD11 LEU 6 1HD1 LEU 6 -5.510 0.272 5.238
45 HD12 LEU 6 2HD1 LEU 6 -5.952 1.591 6.320
46 HD13 LEU 6 3HD1 LEU 6 -5.789 1.887 4.590
47 HD21 LEU 6 1HD2 LEU 6 -8.291 2.263 6.574
48 HD22 LEU 6 2HD2 LEU 6 -7.968 0.666 7.248
49 HD23 LEU 6 3HD2 LEU 6 -9.410 0.936 6.271
50 H LYS 7 H LYS 7 -7.768 -1.403 3.065
51 HA LYS 7 HA LYS 7 -5.275 -1.993 4.135
52 HB2 LYS 7 2HB LYS 7 -7.009 -3.796 2.432
53 HB3 LYS 7 1HB LYS 7 -5.818 -4.286 3.625
54 HG2 LYS 7 2HG LYS 7 -8.294 -2.665 4.242
55 HG3 LYS 7 1HG LYS 7 -8.129 -4.398 4.527
56 HD2 LYS 7 2HD LYS 7 -5.994 -3.720 5.880
57 HD3 LYS 7 1HD LYS 7 -6.729 -2.117 5.904
58 HE2 LYS 7 2HE LYS 7 -7.716 -4.668 7.143
59 HE3 LYS 7 1HE LYS 7 -7.608 -3.057 7.852
60 HZ1 LYS 7 1HZ LYS 7 -9.817 -3.121 7.427
61 HZ2 LYS 7 2HZ LYS 7 -9.664 -4.198 6.122
62 HZ3 LYS 7 3HZ LYS 7 -9.305 -2.550 5.915
63 H GLY 8 H GLY 8 -6.099 -0.987 1.048
64 HA2 GLY 8 2HA GLY 8 -4.141 -2.421 -0.479
65 HA3 GLY 8 1HA GLY 8 -5.026 -0.983 -0.998
66 H ALA 9 H ALA 9 -4.258 0.654 1.233
67 HA ALA 9 HA ALA 9 -1.736 1.608 0.255
68 HB1 ALA 9 1HB ALA 9 -1.989 3.372 1.892
69 HB2 ALA 9 2HB ALA 9 -3.231 2.457 2.746
70 HB3 ALA 9 3HB ALA 9 -3.555 3.089 1.132
71 H ALA 10 H ALA 10 -2.824 -0.311 2.979
72 HA ALA 10 HA ALA 10 -0.574 -0.140 4.637
73 HB1 ALA 10 1HB ALA 10 -2.420 -2.494 4.161
74 HB2 ALA 10 2HB ALA 10 -2.646 -1.217 5.358
75 HB3 ALA 10 3HB ALA 10 -1.296 -2.342 5.513
76 H LYS 11 H LYS 11 -1.217 -2.171 1.817
77 HA LYS 11 HA LYS 11 1.242 -3.656 2.075
78 HB2 LYS 11 2HB LYS 11 -0.300 -4.946 0.957
79 HB3 LYS 11 1HB LYS 11 -1.060 -3.563 0.179
80 HG2 LYS 11 2HG LYS 11 1.744 -4.382 -0.580
81 HG3 LYS 11 1HG LYS 11 0.352 -5.222 -1.270
82 HD2 LYS 11 2HD LYS 11 -0.091 -2.358 -1.408
83 HD3 LYS 11 1HD LYS 11 1.468 -2.752 -2.130
84 HE2 LYS 11 2HE LYS 11 -1.197 -4.017 -2.833
85 HE3 LYS 11 1HE LYS 11 -0.280 -2.887 -3.832
86 HZ1 LYS 11 1HZ LYS 11 0.072 -5.704 -3.485
87 HZ2 LYS 11 2HZ LYS 11 1.513 -4.844 -3.221
88 HZ3 LYS 11 3HZ LYS 11 0.679 -4.680 -4.694
89 H ASP 12 H ASP 12 0.138 -0.783 0.395
90 HA ASP 12 HA ASP 12 2.386 -0.570 -1.370
91 HB2 ASP 12 2HB ASP 12 -0.031 0.528 -1.391
92 HB3 ASP 12 1HB ASP 12 0.805 1.822 -0.532
93 H ILE 13 H ILE 13 1.446 1.015 1.669
94 HA ILE 13 HA ILE 13 3.609 2.730 1.985
95 HB ILE 13 HB ILE 13 1.987 1.209 4.038
96 HG12 ILE 13 2HG1 ILE 13 1.962 4.158 3.361
97 HG13 ILE 13 1HG1 ILE 13 0.949 2.998 2.503
98 HG21 ILE 13 1HG2 ILE 13 2.910 3.036 5.592
99 HG22 ILE 13 2HG2 ILE 13 4.149 3.298 4.364
100 HG23 ILE 13 3HG2 ILE 13 4.018 1.731 5.165
101 HD11 ILE 13 1HD1 ILE 13 -0.224 4.081 4.432
102 HD12 ILE 13 2HD1 ILE 13 0.961 3.349 5.514
103 HD13 ILE 13 3HD1 ILE 13 -0.130 2.327 4.577
104 H ALA 14 H ALA 14 3.392 -0.701 2.224
105 HA ALA 14 HA ALA 14 6.083 -0.892 3.424
106 HB1 ALA 14 1HB ALA 14 5.510 -3.314 3.673
107 HB2 ALA 14 2HB ALA 14 3.910 -2.955 3.023
108 HB3 ALA 14 3HB ALA 14 4.424 -2.236 4.548
109 H GLY 15 H GLY 15 4.359 -1.307 0.456
110 HA2 GLY 15 2HA GLY 15 6.568 -2.859 -0.734
111 HA3 GLY 15 1HA GLY 15 4.966 -2.631 -1.440
112 H HIS 16 H HIS 16 4.467 -0.145 -1.749
113 HA HIS 16 HA HIS 16 6.039 0.809 -3.816
114 HB2 HIS 16 2HB HIS 16 3.877 1.733 -3.576
115 HB3 HIS 16 1HB HIS 16 4.170 2.185 -1.897
116 HD2 HIS 16 2HD HIS 16 4.453 4.911 -1.843
117 HE1 HIS 16 1HE HIS 16 6.646 5.384 -5.420
118 HE2 HIS 16 2HE HIS 16 5.659 6.606 -3.423
119 H LEU 17 H LEU 17 6.261 1.453 -0.341
120 HA LEU 17 HA LEU 17 8.285 3.442 -0.515
121 HB2 LEU 17 2HB LEU 17 7.276 1.613 1.653
122 HB3 LEU 17 1HB LEU 17 8.612 2.729 1.927
123 HG LEU 17 HG LEU 17 6.228 3.532 2.517
124 HD11 LEU 17 1HD1 LEU 17 7.693 5.337 0.591
125 HD12 LEU 17 2HD1 LEU 17 8.353 4.950 2.180
126 HD13 LEU 17 3HD1 LEU 17 6.805 5.782 2.047
127 HD21 LEU 17 1HD2 LEU 17 4.875 4.398 0.725
128 HD22 LEU 17 2HD2 LEU 17 5.245 2.720 0.339
129 HD23 LEU 17 3HD2 LEU 17 6.115 4.025 -0.469
130 H ALA 18 H ALA 18 8.304 -0.061 -0.054
131 HA ALA 18 HA ALA 18 11.028 -0.424 0.477
132 HB1 ALA 18 1HB ALA 18 9.394 -2.226 0.727
133 HB2 ALA 18 2HB ALA 18 10.693 -2.728 -0.355
134 HB3 ALA 18 3HB ALA 18 9.130 -2.249 -1.016
135 H SER 19 H SER 19 9.362 0.266 -2.503
136 HA SER 19 HA SER 19 11.505 -0.510 -4.238
137 HB2 SER 19 2HB SER 19 8.988 -0.231 -4.798
138 HB3 SER 19 1HB SER 19 9.373 1.480 -4.962
139 HG SER 19 HG SER 19 10.891 -0.538 -6.234
140 H LYS 20 H LYS 20 10.536 2.427 -2.583
141 HA LYS 20 HA LYS 20 12.029 4.323 -3.970
142 HB2 LYS 20 2HB LYS 20 10.366 4.673 -2.057
143 HB3 LYS 20 1HB LYS 20 11.736 4.349 -0.992
144 HG2 LYS 20 2HG LYS 20 12.958 6.147 -2.474
145 HG3 LYS 20 1HG LYS 20 11.316 6.646 -2.881
146 HD2 LYS 20 2HD LYS 20 12.436 6.404 -0.072
147 HD3 LYS 20 1HD LYS 20 12.170 7.914 -0.942
148 HE2 LYS 20 2HE LYS 20 9.742 7.306 -1.132
149 HE3 LYS 20 1HE LYS 20 10.057 5.911 -0.100
150 HZ1 LYS 20 1HZ LYS 20 10.665 7.296 1.682
151 HZ2 LYS 20 2HZ LYS 20 9.241 7.974 1.051
152 HZ3 LYS 20 3HZ LYS 20 10.747 8.678 0.701
153 H VAL 21 H VAL 21 12.992 2.265 -1.243
154 HA VAL 21 HA VAL 21 15.664 3.275 -1.135
155 HB VAL 21 HB VAL 21 14.710 2.274 0.843
156 HG11 VAL 21 1HG1 VAL 21 14.250 -0.222 0.829
157 HG12 VAL 21 2HG1 VAL 21 14.380 -0.161 -0.928
158 HG13 VAL 21 3HG1 VAL 21 13.113 0.749 -0.105
159 HG21 VAL 21 1HG2 VAL 21 16.745 0.294 -0.206
160 HG22 VAL 21 2HG2 VAL 21 16.502 0.817 1.461
161 HG23 VAL 21 3HG2 VAL 21 17.185 1.933 0.276
162 H MET 22 H MET 22 14.062 1.096 -3.210
163 HA MET 22 HA MET 22 16.554 0.502 -4.577
164 HB2 MET 22 2HB MET 22 16.188 -1.936 -4.582
165 HB3 MET 22 1HB MET 22 16.468 -1.319 -2.948
166 HG2 MET 22 2HG MET 22 14.456 -2.087 -2.273
167 HG3 MET 22 1HG MET 22 13.653 -1.165 -3.549
168 HE1 MET 22 1HE MET 22 11.750 -3.120 -3.756
169 HE2 MET 22 2HE MET 22 12.625 -3.703 -2.343
170 HE3 MET 22 3HE MET 22 12.222 -4.821 -3.644
171 HN1 NH2 23 HN1 NH2 23 14.991 2.019 -5.935
172 HN2 NH2 23 HN2 NH2 23 13.947 1.204 -6.996
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -15.349 -3.249 3.220
2 H2 GLY 1 2HT GLY 1 -16.653 -4.257 2.807
3 H3 GLY 1 3HT GLY 1 -16.941 -2.710 3.448
4 HA2 GLY 1 2HA GLY 1 -16.166 -3.499 0.742
5 HA3 GLY 1 1HA GLY 1 -17.272 -2.223 1.272
6 H VAL 2 H VAL 2 -16.396 -0.238 2.050
7 HA VAL 2 HA VAL 2 -14.142 0.695 0.619
8 HB VAL 2 HB VAL 2 -15.604 1.890 2.984
9 HG11 VAL 2 1HG1 VAL 2 -13.495 2.980 2.913
10 HG12 VAL 2 2HG1 VAL 2 -14.572 4.035 1.997
11 HG13 VAL 2 3HG1 VAL 2 -13.456 2.963 1.150
12 HG21 VAL 2 1HG2 VAL 2 -16.531 3.347 1.096
13 HG22 VAL 2 2HG2 VAL 2 -17.093 1.676 1.123
14 HG23 VAL 2 3HG2 VAL 2 -15.845 2.168 -0.020
15 H VAL 3 H VAL 3 -14.514 -0.739 3.763
16 HA VAL 3 HA VAL 3 -12.220 0.171 5.067
17 HB VAL 3 HB VAL 3 -13.418 -2.604 5.217
18 HG11 VAL 3 1HG1 VAL 3 -11.617 -0.979 7.024
19 HG12 VAL 3 2HG1 VAL 3 -11.315 -2.580 6.349
20 HG13 VAL 3 3HG1 VAL 3 -12.534 -2.368 7.606
21 HG21 VAL 3 1HG2 VAL 3 -14.067 -0.083 6.779
22 HG22 VAL 3 2HG2 VAL 3 -14.774 -1.675 7.052
23 HG23 VAL 3 3HG2 VAL 3 -15.100 -0.812 5.549
24 H ASP 4 H ASP 4 -12.601 -2.775 3.083
25 HA ASP 4 HA ASP 4 -9.897 -3.559 3.175
26 HB2 ASP 4 2HB ASP 4 -10.429 -5.027 1.330
27 HB3 ASP 4 1HB ASP 4 -11.795 -5.008 2.442
28 H ILE 5 H ILE 5 -11.634 -1.382 1.005
29 HA ILE 5 HA ILE 5 -9.687 -1.109 -0.989
30 HB ILE 5 HB ILE 5 -11.625 0.964 0.069
31 HG12 ILE 5 2HG1 ILE 5 -11.810 -0.940 -2.292
32 HG13 ILE 5 1HG1 ILE 5 -12.643 -1.167 -0.752
33 HG21 ILE 5 1HG2 ILE 5 -9.975 0.815 -2.472
34 HG22 ILE 5 2HG2 ILE 5 -9.890 2.055 -1.220
35 HG23 ILE 5 3HG2 ILE 5 -11.319 1.932 -2.244
36 HD11 ILE 5 1HD1 ILE 5 -13.312 0.610 -2.994
37 HD12 ILE 5 2HD1 ILE 5 -13.337 1.427 -1.433
38 HD13 ILE 5 3HD1 ILE 5 -14.340 0.002 -1.698
39 H LEU 6 H LEU 6 -9.865 0.208 2.244
40 HA LEU 6 HA LEU 6 -7.802 2.166 1.830
41 HB2 LEU 6 2HB LEU 6 -8.452 2.934 3.843
42 HB3 LEU 6 1HB LEU 6 -9.763 1.761 3.736
43 HG LEU 6 HG LEU 6 -8.173 0.084 4.831
44 HD11 LEU 6 1HD1 LEU 6 -6.365 2.300 4.527
45 HD12 LEU 6 2HD1 LEU 6 -6.035 0.707 5.201
46 HD13 LEU 6 3HD1 LEU 6 -6.595 2.006 6.250
47 HD21 LEU 6 1HD2 LEU 6 -10.019 1.212 6.024
48 HD22 LEU 6 2HD2 LEU 6 -8.951 2.567 6.391
49 HD23 LEU 6 3HD2 LEU 6 -8.627 0.977 7.082
50 H LYS 7 H LYS 7 -7.962 -1.138 3.094
51 HA LYS 7 HA LYS 7 -5.375 -1.314 4.137
52 HB2 LYS 7 2HB LYS 7 -6.956 -3.500 2.768
53 HB3 LYS 7 1HB LYS 7 -5.695 -3.689 3.974
54 HG2 LYS 7 2HG LYS 7 -8.313 -2.258 4.459
55 HG3 LYS 7 1HG LYS 7 -7.977 -3.918 4.947
56 HD2 LYS 7 2HD LYS 7 -5.904 -2.905 6.155
57 HD3 LYS 7 1HD LYS 7 -6.749 -1.367 5.981
58 HE2 LYS 7 2HE LYS 7 -8.717 -2.320 7.132
59 HE3 LYS 7 1HE LYS 7 -7.862 -3.851 7.319
60 HZ1 LYS 7 1HZ LYS 7 -7.662 -2.555 9.318
61 HZ2 LYS 7 2HZ LYS 7 -7.049 -1.228 8.451
62 HZ3 LYS 7 3HZ LYS 7 -6.142 -2.660 8.572
63 H GLY 8 H GLY 8 -6.364 -0.701 1.021
64 HA2 GLY 8 2HA GLY 8 -4.500 -2.201 -0.511
65 HA3 GLY 8 1HA GLY 8 -5.343 -0.745 -1.045
66 H ALA 9 H ALA 9 -4.451 1.118 0.769
67 HA ALA 9 HA ALA 9 -1.811 1.664 -0.238
68 HB1 ALA 9 1HB ALA 9 -3.636 3.382 0.230
69 HB2 ALA 9 2HB ALA 9 -2.024 3.779 0.826
70 HB3 ALA 9 3HB ALA 9 -3.252 3.178 1.940
71 H ALA 10 H ALA 10 -3.185 0.478 2.762
72 HA ALA 10 HA ALA 10 -1.148 0.906 4.571
73 HB1 ALA 10 1HB ALA 10 -3.367 -0.200 5.022
74 HB2 ALA 10 2HB ALA 10 -1.989 -0.978 5.799
75 HB3 ALA 10 3HB ALA 10 -2.694 -1.682 4.344
76 H LYS 11 H LYS 11 -1.462 -1.867 2.344
77 HA LYS 11 HA LYS 11 1.121 -2.918 3.076
78 HB2 LYS 11 2HB LYS 11 0.705 -4.537 1.255
79 HB3 LYS 11 1HB LYS 11 -0.665 -4.425 2.360
80 HG2 LYS 11 2HG LYS 11 -1.544 -2.609 0.693
81 HG3 LYS 11 1HG LYS 11 -0.406 -3.348 -0.441
82 HD2 LYS 11 2HD LYS 11 -2.593 -4.815 1.066
83 HD3 LYS 11 1HD LYS 11 -2.651 -4.364 -0.637
84 HE2 LYS 11 2HE LYS 11 -0.519 -5.700 -0.957
85 HE3 LYS 11 1HE LYS 11 -0.739 -6.303 0.686
86 HZ1 LYS 11 1HZ LYS 11 -1.699 -7.820 -0.906
87 HZ2 LYS 11 2HZ LYS 11 -2.669 -6.585 -1.554
88 HZ3 LYS 11 3HZ LYS 11 -2.927 -7.126 0.036
89 H ASP 12 H ASP 12 -0.158 -0.834 0.567
90 HA ASP 12 HA ASP 12 2.008 -0.994 -1.246
91 HB2 ASP 12 2HB ASP 12 -0.376 0.084 -1.437
92 HB3 ASP 12 1HB ASP 12 0.448 1.535 -0.865
93 H ILE 13 H ILE 13 1.292 1.274 1.398
94 HA ILE 13 HA ILE 13 3.478 2.968 1.149
95 HB ILE 13 HB ILE 13 2.051 1.973 3.627
96 HG12 ILE 13 2HG1 ILE 13 1.931 4.684 2.290
97 HG13 ILE 13 1HG1 ILE 13 0.850 3.367 1.834
98 HG21 ILE 13 1HG2 ILE 13 4.202 4.069 3.273
99 HG22 ILE 13 2HG2 ILE 13 4.178 2.719 4.407
100 HG23 ILE 13 3HG2 ILE 13 3.089 4.087 4.641
101 HD11 ILE 13 1HD1 ILE 13 -0.123 4.906 3.565
102 HD12 ILE 13 2HD1 ILE 13 1.158 4.400 4.667
103 HD13 ILE 13 3HD1 ILE 13 -0.026 3.225 4.091
104 H ALA 14 H ALA 14 3.258 -0.316 2.180
105 HA ALA 14 HA ALA 14 6.039 -0.314 3.167
106 HB1 ALA 14 1HB ALA 14 5.536 -2.518 4.065
107 HB2 ALA 14 2HB ALA 14 3.969 -2.522 3.257
108 HB3 ALA 14 3HB ALA 14 4.283 -1.384 4.568
109 H GLY 15 H GLY 15 4.066 -1.282 0.502
110 HA2 GLY 15 2HA GLY 15 5.946 -3.226 -0.553
111 HA3 GLY 15 1HA GLY 15 4.484 -2.633 -1.353
112 H HIS 16 H HIS 16 4.659 -0.127 -1.767
113 HA HIS 16 HA HIS 16 6.513 0.326 -3.782
114 HB2 HIS 16 2HB HIS 16 4.568 1.744 -3.572
115 HB3 HIS 16 1HB HIS 16 5.082 2.287 -1.974
116 HD2 HIS 16 2HD HIS 16 7.173 4.213 -1.981
117 HE1 HIS 16 1HE HIS 16 7.306 4.697 -6.174
118 HE2 HIS 16 2HE HIS 16 8.134 5.624 -3.958
119 H LEU 17 H LEU 17 6.737 0.728 -0.321
120 HA LEU 17 HA LEU 17 8.957 2.360 -0.045
121 HB2 LEU 17 2HB LEU 17 8.497 1.870 2.107
122 HB3 LEU 17 1HB LEU 17 7.399 0.598 1.569
123 HG LEU 17 HG LEU 17 9.362 -0.937 1.382
124 HD11 LEU 17 1HD1 LEU 17 11.126 0.499 3.150
125 HD12 LEU 17 2HD1 LEU 17 10.785 1.515 1.753
126 HD13 LEU 17 3HD1 LEU 17 11.457 -0.099 1.527
127 HD21 LEU 17 1HD2 LEU 17 9.746 -0.956 3.977
128 HD22 LEU 17 2HD2 LEU 17 8.127 -1.260 3.349
129 HD23 LEU 17 3HD2 LEU 17 8.540 0.332 3.989
130 H ALA 18 H ALA 18 8.734 -1.021 -0.961
131 HA ALA 18 HA ALA 18 11.423 -1.767 -0.701
132 HB1 ALA 18 1HB ALA 18 10.917 -3.572 -2.193
133 HB2 ALA 18 2HB ALA 18 9.557 -2.694 -2.890
134 HB3 ALA 18 3HB ALA 18 9.469 -3.280 -1.230
135 H SER 19 H SER 19 9.914 0.388 -2.913
136 HA SER 19 HA SER 19 12.012 0.202 -4.904
137 HB2 SER 19 2HB SER 19 9.483 0.745 -5.281
138 HB3 SER 19 1HB SER 19 9.954 2.381 -4.829
139 HG SER 19 HG SER 19 11.716 1.270 -6.562
140 H LYS 20 H LYS 20 10.913 2.471 -2.414
141 HA LYS 20 HA LYS 20 12.559 4.629 -2.921
142 HB2 LYS 20 2HB LYS 20 10.761 4.356 -1.119
143 HB3 LYS 20 1HB LYS 20 12.047 3.647 -0.142
144 HG2 LYS 20 2HG LYS 20 13.396 5.671 -0.368
145 HG3 LYS 20 1HG LYS 20 12.184 6.385 -1.430
146 HD2 LYS 20 2HD LYS 20 11.358 5.438 1.300
147 HD3 LYS 20 1HD LYS 20 12.198 6.980 1.143
148 HE2 LYS 20 2HE LYS 20 10.501 7.713 -0.519
149 HE3 LYS 20 1HE LYS 20 9.641 6.192 -0.286
150 HZ1 LYS 20 1HZ LYS 20 8.779 8.073 1.058
151 HZ2 LYS 20 2HZ LYS 20 10.251 8.095 1.905
152 HZ3 LYS 20 3HZ LYS 20 9.245 6.729 1.981
153 H VAL 21 H VAL 21 13.321 1.615 -1.255
154 HA VAL 21 HA VAL 21 15.945 2.424 -0.445
155 HB VAL 21 HB VAL 21 14.889 0.659 0.785
156 HG11 VAL 21 1HG1 VAL 21 14.431 -1.546 -0.439
157 HG12 VAL 21 2HG1 VAL 21 14.590 -0.625 -1.933
158 HG13 VAL 21 3HG1 VAL 21 13.322 -0.219 -0.778
159 HG21 VAL 21 1HG2 VAL 21 16.615 -0.984 0.776
160 HG22 VAL 21 2HG2 VAL 21 17.396 0.497 0.224
161 HG23 VAL 21 3HG2 VAL 21 16.939 -0.745 -0.941
162 H MET 22 H MET 22 14.564 1.063 -3.340
163 HA MET 22 HA MET 22 17.207 0.416 -4.440
164 HB2 MET 22 2HB MET 22 14.404 0.036 -5.528
165 HB3 MET 22 1HB MET 22 15.879 -0.405 -6.400
166 HG2 MET 22 2HG MET 22 16.410 -1.691 -4.114
167 HG3 MET 22 1HG MET 22 14.646 -1.674 -3.985
168 HE1 MET 22 1HE MET 22 14.671 -5.164 -5.170
169 HE2 MET 22 2HE MET 22 13.513 -3.925 -4.691
170 HE3 MET 22 3HE MET 22 15.009 -4.122 -3.781
171 HN1 NH2 23 HN1 NH2 23 15.371 3.190 -4.179
172 HN2 NH2 23 HN2 NH2 23 15.888 3.984 -5.589
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -15.589 -4.158 1.591
2 H2 GLY 1 2HT GLY 1 -15.471 -3.164 0.218
3 H3 GLY 1 3HT GLY 1 -16.976 -3.801 0.681
4 HA2 GLY 1 2HA GLY 1 -17.298 -1.827 1.655
5 HA3 GLY 1 1HA GLY 1 -16.262 -2.506 2.919
6 H VAL 2 H VAL 2 -16.251 0.177 2.675
7 HA VAL 2 HA VAL 2 -14.273 1.174 0.862
8 HB VAL 2 HB VAL 2 -16.010 2.643 1.748
9 HG11 VAL 2 1HG1 VAL 2 -16.141 3.214 4.083
10 HG12 VAL 2 2HG1 VAL 2 -14.658 2.327 4.441
11 HG13 VAL 2 3HG1 VAL 2 -16.120 1.453 3.984
12 HG21 VAL 2 1HG2 VAL 2 -13.358 3.490 2.937
13 HG22 VAL 2 2HG2 VAL 2 -14.616 4.521 2.255
14 HG23 VAL 2 3HG2 VAL 2 -13.656 3.485 1.199
15 H VAL 3 H VAL 3 -14.217 -0.237 4.036
16 HA VAL 3 HA VAL 3 -11.703 0.751 4.901
17 HB VAL 3 HB VAL 3 -13.136 -1.814 5.630
18 HG11 VAL 3 1HG1 VAL 3 -10.790 -0.336 6.843
19 HG12 VAL 3 2HG1 VAL 3 -10.853 -2.018 6.313
20 HG13 VAL 3 3HG1 VAL 3 -11.743 -1.512 7.749
21 HG21 VAL 3 1HG2 VAL 3 -14.476 0.191 6.082
22 HG22 VAL 3 2HG2 VAL 3 -13.107 0.944 6.898
23 HG23 VAL 3 3HG2 VAL 3 -13.875 -0.480 7.598
24 H ASP 4 H ASP 4 -12.598 -2.394 3.461
25 HA ASP 4 HA ASP 4 -10.061 -3.508 3.305
26 HB2 ASP 4 2HB ASP 4 -10.941 -4.987 1.638
27 HB3 ASP 4 1HB ASP 4 -12.246 -4.645 2.772
28 H ILE 5 H ILE 5 -11.630 -1.208 1.129
29 HA ILE 5 HA ILE 5 -9.739 -1.313 -0.961
30 HB ILE 5 HB ILE 5 -11.520 0.955 -0.037
31 HG12 ILE 5 2HG1 ILE 5 -11.780 -1.030 -2.323
32 HG13 ILE 5 1HG1 ILE 5 -12.646 -1.147 -0.787
33 HG21 ILE 5 1HG2 ILE 5 -9.724 1.910 -1.339
34 HG22 ILE 5 2HG2 ILE 5 -11.125 1.787 -2.400
35 HG23 ILE 5 3HG2 ILE 5 -9.821 0.608 -2.525
36 HD11 ILE 5 1HD1 ILE 5 -14.192 -0.068 -2.203
37 HD12 ILE 5 2HD1 ILE 5 -12.944 0.920 -2.963
38 HD13 ILE 5 3HD1 ILE 5 -13.459 1.265 -1.312
39 H LEU 6 H LEU 6 -9.743 0.331 2.133
40 HA LEU 6 HA LEU 6 -7.504 2.026 1.501
41 HB2 LEU 6 2HB LEU 6 -8.137 3.090 3.371
42 HB3 LEU 6 1HB LEU 6 -9.455 1.927 3.517
43 HG LEU 6 HG LEU 6 -7.842 0.419 4.775
44 HD11 LEU 6 1HD1 LEU 6 -5.663 0.991 4.896
45 HD12 LEU 6 2HD1 LEU 6 -6.093 2.494 5.710
46 HD13 LEU 6 3HD1 LEU 6 -5.987 2.444 3.952
47 HD21 LEU 6 1HD2 LEU 6 -9.491 1.662 6.005
48 HD22 LEU 6 2HD2 LEU 6 -8.566 3.156 5.848
49 HD23 LEU 6 3HD2 LEU 6 -7.962 1.847 6.865
50 H LYS 7 H LYS 7 -7.972 -1.087 3.105
51 HA LYS 7 HA LYS 7 -5.386 -1.405 4.147
52 HB2 LYS 7 2HB LYS 7 -7.684 -3.130 3.543
53 HB3 LYS 7 1HB LYS 7 -6.150 -3.953 3.363
54 HG2 LYS 7 2HG LYS 7 -6.829 -4.247 5.645
55 HG3 LYS 7 1HG LYS 7 -5.501 -3.085 5.649
56 HD2 LYS 7 2HD LYS 7 -6.903 -1.277 6.087
57 HD3 LYS 7 1HD LYS 7 -8.311 -2.088 5.402
58 HE2 LYS 7 2HE LYS 7 -8.578 -3.477 7.314
59 HE3 LYS 7 1HE LYS 7 -6.968 -3.084 7.917
60 HZ1 LYS 7 1HZ LYS 7 -9.368 -1.358 7.841
61 HZ2 LYS 7 2HZ LYS 7 -7.808 -0.715 8.038
62 HZ3 LYS 7 3HZ LYS 7 -8.433 -1.801 9.184
63 H GLY 8 H GLY 8 -6.379 -1.010 0.991
64 HA2 GLY 8 2HA GLY 8 -4.576 -2.740 -0.384
65 HA3 GLY 8 1HA GLY 8 -5.395 -1.333 -1.070
66 H ALA 9 H ALA 9 -4.446 0.630 0.694
67 HA ALA 9 HA ALA 9 -1.865 1.152 -0.446
68 HB1 ALA 9 1HB ALA 9 -3.139 2.667 1.832
69 HB2 ALA 9 2HB ALA 9 -3.658 2.875 0.159
70 HB3 ALA 9 3HB ALA 9 -2.002 3.266 0.624
71 H ALA 10 H ALA 10 -3.079 -0.055 2.609
72 HA ALA 10 HA ALA 10 -0.934 0.318 4.307
73 HB1 ALA 10 1HB ALA 10 -2.597 -2.202 4.073
74 HB2 ALA 10 2HB ALA 10 -3.078 -0.752 4.954
75 HB3 ALA 10 3HB ALA 10 -1.678 -1.684 5.486
76 H LYS 11 H LYS 11 -1.286 -1.983 1.670
77 HA LYS 11 HA LYS 11 1.065 -3.490 2.290
78 HB2 LYS 11 2HB LYS 11 -0.873 -3.310 0.017
79 HB3 LYS 11 1HB LYS 11 0.663 -4.124 -0.240
80 HG2 LYS 11 2HG LYS 11 0.179 -5.834 1.254
81 HG3 LYS 11 1HG LYS 11 -0.905 -4.819 2.217
82 HD2 LYS 11 2HD LYS 11 -2.571 -4.873 0.395
83 HD3 LYS 11 1HD LYS 11 -1.498 -5.900 -0.557
84 HE2 LYS 11 2HE LYS 11 -1.534 -7.550 1.365
85 HE3 LYS 11 1HE LYS 11 -2.807 -6.569 2.091
86 HZ1 LYS 11 1HZ LYS 11 -4.236 -6.989 0.299
87 HZ2 LYS 11 2HZ LYS 11 -3.541 -8.495 0.662
88 HZ3 LYS 11 3HZ LYS 11 -2.993 -7.603 -0.676
89 H ASP 12 H ASP 12 0.284 -0.865 0.021
90 HA ASP 12 HA ASP 12 2.723 -0.757 -1.336
91 HB2 ASP 12 2HB ASP 12 1.936 1.186 -2.252
92 HB3 ASP 12 1HB ASP 12 0.424 0.522 -1.634
93 H ILE 13 H ILE 13 1.672 0.946 1.599
94 HA ILE 13 HA ILE 13 3.886 2.539 2.057
95 HB ILE 13 HB ILE 13 2.114 1.044 4.001
96 HG12 ILE 13 2HG1 ILE 13 2.294 3.998 3.347
97 HG13 ILE 13 1HG1 ILE 13 1.185 2.896 2.529
98 HG21 ILE 13 1HG2 ILE 13 3.071 2.760 5.656
99 HG22 ILE 13 2HG2 ILE 13 4.373 2.995 4.490
100 HG23 ILE 13 3HG2 ILE 13 4.124 1.412 5.227
101 HD11 ILE 13 1HD1 ILE 13 1.262 3.129 5.540
102 HD12 ILE 13 2HD1 ILE 13 -0.011 2.443 4.530
103 HD13 ILE 13 3HD1 ILE 13 0.254 4.186 4.551
104 H ALA 14 H ALA 14 3.522 -0.868 2.152
105 HA ALA 14 HA ALA 14 6.163 -1.230 3.435
106 HB1 ALA 14 1HB ALA 14 4.114 -3.354 2.785
107 HB2 ALA 14 2HB ALA 14 4.163 -2.487 4.320
108 HB3 ALA 14 3HB ALA 14 5.521 -3.504 3.837
109 H GLY 15 H GLY 15 4.472 -1.478 0.427
110 HA2 GLY 15 2HA GLY 15 6.670 -3.026 -0.792
111 HA3 GLY 15 1HA GLY 15 5.068 -2.780 -1.497
112 H HIS 16 H HIS 16 4.574 -0.276 -1.711
113 HA HIS 16 HA HIS 16 6.121 0.737 -3.766
114 HB2 HIS 16 2HB HIS 16 3.960 1.654 -3.456
115 HB3 HIS 16 1HB HIS 16 4.292 2.067 -1.774
116 HD2 HIS 16 2HD HIS 16 4.647 4.776 -1.629
117 HE1 HIS 16 1HE HIS 16 6.658 5.349 -5.298
118 HE2 HIS 16 2HE HIS 16 5.796 6.512 -3.210
119 H LEU 17 H LEU 17 6.394 1.287 -0.277
120 HA LEU 17 HA LEU 17 8.406 3.277 -0.402
121 HB2 LEU 17 2HB LEU 17 7.442 1.337 1.688
122 HB3 LEU 17 1HB LEU 17 8.818 2.396 1.992
123 HG LEU 17 HG LEU 17 6.451 3.211 2.683
124 HD11 LEU 17 1HD1 LEU 17 8.588 4.586 2.520
125 HD12 LEU 17 2HD1 LEU 17 7.085 5.489 2.344
126 HD13 LEU 17 3HD1 LEU 17 8.041 5.083 0.920
127 HD21 LEU 17 1HD2 LEU 17 6.345 4.001 -0.236
128 HD22 LEU 17 2HD2 LEU 17 5.106 4.241 0.993
129 HD23 LEU 17 3HD2 LEU 17 5.468 2.617 0.416
130 H ALA 18 H ALA 18 8.478 -0.246 -0.171
131 HA ALA 18 HA ALA 18 11.199 -0.640 0.292
132 HB1 ALA 18 1HB ALA 18 9.411 -2.414 0.264
133 HB2 ALA 18 2HB ALA 18 10.892 -2.860 -0.581
134 HB3 ALA 18 3HB ALA 18 9.471 -2.359 -1.498
135 H SER 19 H SER 19 9.588 0.537 -2.514
136 HA SER 19 HA SER 19 11.680 -0.114 -4.375
137 HB2 SER 19 2HB SER 19 9.166 0.318 -4.863
138 HB3 SER 19 1HB SER 19 9.615 2.020 -4.820
139 HG SER 19 HG SER 19 11.071 1.644 -6.472
140 H LYS 20 H LYS 20 10.827 2.593 -2.322
141 HA LYS 20 HA LYS 20 12.341 4.628 -3.456
142 HB2 LYS 20 2HB LYS 20 10.739 4.681 -1.434
143 HB3 LYS 20 1HB LYS 20 12.171 4.252 -0.497
144 HG2 LYS 20 2HG LYS 20 13.356 6.219 -1.501
145 HG3 LYS 20 1HG LYS 20 11.837 6.686 -2.266
146 HD2 LYS 20 2HD LYS 20 10.769 7.022 -0.146
147 HD3 LYS 20 1HD LYS 20 12.105 6.263 0.718
148 HE2 LYS 20 2HE LYS 20 13.605 8.097 -0.115
149 HE3 LYS 20 1HE LYS 20 12.182 8.889 -0.792
150 HZ1 LYS 20 1HZ LYS 20 11.884 9.800 1.190
151 HZ2 LYS 20 2HZ LYS 20 13.107 8.852 1.892
152 HZ3 LYS 20 3HZ LYS 20 11.516 8.261 1.801
153 H VAL 21 H VAL 21 13.322 2.133 -1.131
154 HA VAL 21 HA VAL 21 16.018 3.052 -0.914
155 HB VAL 21 HB VAL 21 15.107 1.708 0.863
156 HG11 VAL 21 1HG1 VAL 21 14.580 -0.740 0.362
157 HG12 VAL 21 2HG1 VAL 21 14.604 -0.300 -1.345
158 HG13 VAL 21 3HG1 VAL 21 13.423 0.436 -0.262
159 HG21 VAL 21 1HG2 VAL 21 17.548 1.405 0.135
160 HG22 VAL 21 2HG2 VAL 21 17.028 -0.102 -0.619
161 HG23 VAL 21 3HG2 VAL 21 16.866 0.115 1.124
162 H MET 22 H MET 22 14.297 1.155 -3.221
163 HA MET 22 HA MET 22 16.739 0.843 -4.796
164 HB2 MET 22 2HB MET 22 16.315 -1.537 -5.229
165 HB3 MET 22 1HB MET 22 16.608 -1.245 -3.508
166 HG2 MET 22 2HG MET 22 14.625 -2.233 -3.065
167 HG3 MET 22 1HG MET 22 13.834 -0.877 -3.880
168 HE1 MET 22 1HE MET 22 15.796 -4.149 -4.456
169 HE2 MET 22 2HE MET 22 14.627 -5.103 -5.366
170 HE3 MET 22 3HE MET 22 14.236 -4.567 -3.734
171 HN1 NH2 23 HN1 NH2 23 15.204 2.626 -5.809
172 HN2 NH2 23 HN2 NH2 23 14.097 2.053 -6.962
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -14.645 -4.448 0.993
2 H2 GLY 1 2HT GLY 1 -15.676 -5.727 1.423
3 H3 GLY 1 3HT GLY 1 -14.019 -5.808 1.790
4 HA2 GLY 1 2HA GLY 1 -16.151 -4.266 3.095
5 HA3 GLY 1 1HA GLY 1 -14.837 -5.204 3.821
6 H VAL 2 H VAL 2 -15.567 -2.467 4.430
7 HA VAL 2 HA VAL 2 -14.101 -0.463 3.253
8 HB VAL 2 HB VAL 2 -15.660 -0.134 5.150
9 HG11 VAL 2 1HG1 VAL 2 -13.377 -1.059 6.907
10 HG12 VAL 2 2HG1 VAL 2 -14.704 -2.122 6.440
11 HG13 VAL 2 3HG1 VAL 2 -15.028 -0.674 7.392
12 HG21 VAL 2 1HG2 VAL 2 -12.881 0.903 5.782
13 HG22 VAL 2 2HG2 VAL 2 -14.420 1.665 6.185
14 HG23 VAL 2 3HG2 VAL 2 -13.901 1.563 4.503
15 H VAL 3 H VAL 3 -12.949 -3.136 5.152
16 HA VAL 3 HA VAL 3 -10.435 -2.141 5.931
17 HB VAL 3 HB VAL 3 -11.029 -5.006 5.177
18 HG11 VAL 3 1HG1 VAL 3 -9.185 -3.728 7.221
19 HG12 VAL 3 2HG1 VAL 3 -8.681 -4.458 5.696
20 HG13 VAL 3 3HG1 VAL 3 -9.385 -5.461 6.964
21 HG21 VAL 3 1HG2 VAL 3 -11.702 -3.457 7.696
22 HG22 VAL 3 2HG2 VAL 3 -11.716 -5.218 7.597
23 HG23 VAL 3 3HG2 VAL 3 -12.835 -4.271 6.615
24 H ASP 4 H ASP 4 -11.298 -4.133 3.091
25 HA ASP 4 HA ASP 4 -8.757 -4.149 1.909
26 HB2 ASP 4 2HB ASP 4 -9.843 -4.885 -0.091
27 HB3 ASP 4 1HB ASP 4 -10.739 -5.574 1.261
28 H ILE 5 H ILE 5 -11.353 -1.775 1.762
29 HA ILE 5 HA ILE 5 -10.418 -0.237 -0.388
30 HB ILE 5 HB ILE 5 -11.884 0.677 2.098
31 HG12 ILE 5 2HG1 ILE 5 -12.840 -1.190 0.496
32 HG13 ILE 5 1HG1 ILE 5 -13.882 0.136 1.014
33 HG21 ILE 5 1HG2 ILE 5 -11.298 1.982 -0.560
34 HG22 ILE 5 2HG2 ILE 5 -11.054 2.633 1.062
35 HG23 ILE 5 3HG2 ILE 5 -12.686 2.464 0.415
36 HD11 ILE 5 1HD1 ILE 5 -13.803 -0.476 -1.523
37 HD12 ILE 5 2HD1 ILE 5 -12.266 0.386 -1.516
38 HD13 ILE 5 3HD1 ILE 5 -13.747 1.225 -1.061
39 H LEU 6 H LEU 6 -9.532 -0.216 3.037
40 HA LEU 6 HA LEU 6 -7.877 2.107 2.822
41 HB2 LEU 6 2HB LEU 6 -7.704 1.943 5.072
42 HB3 LEU 6 1HB LEU 6 -9.014 0.775 4.904
43 HG LEU 6 HG LEU 6 -7.147 -0.994 4.621
44 HD11 LEU 6 1HD1 LEU 6 -5.534 1.349 4.839
45 HD12 LEU 6 2HD1 LEU 6 -4.996 -0.326 4.738
46 HD13 LEU 6 3HD1 LEU 6 -5.282 0.412 6.312
47 HD21 LEU 6 1HD2 LEU 6 -6.837 -1.092 7.131
48 HD22 LEU 6 2HD2 LEU 6 -8.513 -0.943 6.602
49 HD23 LEU 6 3HD2 LEU 6 -7.657 0.468 7.223
50 H LYS 7 H LYS 7 -7.348 -1.371 2.565
51 HA LYS 7 HA LYS 7 -4.572 -1.463 2.727
52 HB2 LYS 7 2HB LYS 7 -6.687 -3.162 1.694
53 HB3 LYS 7 1HB LYS 7 -5.272 -3.241 0.668
54 HG2 LYS 7 2HG LYS 7 -5.002 -4.932 2.347
55 HG3 LYS 7 1HG LYS 7 -3.882 -3.629 2.746
56 HD2 LYS 7 2HD LYS 7 -5.150 -2.902 4.553
57 HD3 LYS 7 1HD LYS 7 -6.646 -3.546 3.878
58 HE2 LYS 7 2HE LYS 7 -6.125 -5.761 4.515
59 HE3 LYS 7 1HE LYS 7 -4.416 -5.384 4.737
60 HZ1 LYS 7 1HZ LYS 7 -6.699 -4.658 6.462
61 HZ2 LYS 7 2HZ LYS 7 -5.233 -3.804 6.539
62 HZ3 LYS 7 3HZ LYS 7 -5.269 -5.468 6.881
63 H GLY 8 H GLY 8 -6.532 0.151 0.506
64 HA2 GLY 8 2HA GLY 8 -5.108 0.043 -1.895
65 HA3 GLY 8 1HA GLY 8 -6.053 1.433 -1.349
66 H ALA 9 H ALA 9 -4.756 2.391 0.774
67 HA ALA 9 HA ALA 9 -2.410 3.587 -0.381
68 HB1 ALA 9 1HB ALA 9 -3.315 3.833 2.487
69 HB2 ALA 9 2HB ALA 9 -4.090 4.720 1.174
70 HB3 ALA 9 3HB ALA 9 -2.385 4.991 1.536
71 H ALA 10 H ALA 10 -3.075 1.075 1.975
72 HA ALA 10 HA ALA 10 -0.605 0.887 3.253
73 HB1 ALA 10 1HB ALA 10 -2.254 -1.510 2.455
74 HB2 ALA 10 2HB ALA 10 -2.747 -0.414 3.745
75 HB3 ALA 10 3HB ALA 10 -1.235 -1.313 3.880
76 H LYS 11 H LYS 11 -1.660 -0.441 0.141
77 HA LYS 11 HA LYS 11 0.644 -1.987 -0.378
78 HB2 LYS 11 2HB LYS 11 -1.636 -0.888 -1.956
79 HB3 LYS 11 1HB LYS 11 -0.225 -1.448 -2.842
80 HG2 LYS 11 2HG LYS 11 -0.494 -3.657 -2.171
81 HG3 LYS 11 1HG LYS 11 -1.332 -3.204 -0.679
82 HD2 LYS 11 2HD LYS 11 -3.315 -2.550 -1.972
83 HD3 LYS 11 1HD LYS 11 -2.485 -2.955 -3.476
84 HE2 LYS 11 2HE LYS 11 -2.362 -5.285 -2.868
85 HE3 LYS 11 1HE LYS 11 -2.945 -4.945 -1.239
86 HZ1 LYS 11 1HZ LYS 11 -4.836 -3.869 -2.898
87 HZ2 LYS 11 2HZ LYS 11 -4.966 -5.325 -2.032
88 HZ3 LYS 11 3HZ LYS 11 -4.426 -5.336 -3.644
89 H ASP 12 H ASP 12 -0.183 1.393 -1.028
90 HA ASP 12 HA ASP 12 2.156 1.922 -2.604
91 HB2 ASP 12 2HB ASP 12 -0.168 3.182 -2.361
92 HB3 ASP 12 1HB ASP 12 0.714 4.087 -1.129
93 H ILE 13 H ILE 13 1.183 2.631 0.736
94 HA ILE 13 HA ILE 13 3.582 3.890 1.544
95 HB ILE 13 HB ILE 13 1.572 2.337 3.196
96 HG12 ILE 13 2HG1 ILE 13 1.774 5.331 2.815
97 HG13 ILE 13 1HG1 ILE 13 0.757 4.324 1.785
98 HG21 ILE 13 1HG2 ILE 13 3.678 4.381 3.965
99 HG22 ILE 13 2HG2 ILE 13 3.686 2.671 4.392
100 HG23 ILE 13 3HG2 ILE 13 2.451 3.739 5.056
101 HD11 ILE 13 1HD1 ILE 13 -0.548 5.247 3.661
102 HD12 ILE 13 2HD1 ILE 13 0.571 4.507 4.807
103 HD13 ILE 13 3HD1 ILE 13 -0.439 3.490 3.779
104 H ALA 14 H ALA 14 2.665 0.612 1.052
105 HA ALA 14 HA ALA 14 5.073 -0.386 2.435
106 HB1 ALA 14 1HB ALA 14 2.804 -1.377 2.933
107 HB2 ALA 14 2HB ALA 14 4.034 -2.536 2.435
108 HB3 ALA 14 3HB ALA 14 2.803 -2.012 1.288
109 H GLY 15 H GLY 15 3.787 0.173 -0.720
110 HA2 GLY 15 2HA GLY 15 5.694 -1.699 -1.959
111 HA3 GLY 15 1HA GLY 15 4.357 -0.884 -2.777
112 H HIS 16 H HIS 16 4.600 1.636 -2.679
113 HA HIS 16 HA HIS 16 6.735 2.383 -4.268
114 HB2 HIS 16 2HB HIS 16 4.844 3.820 -4.144
115 HB3 HIS 16 1HB HIS 16 4.987 3.968 -2.393
116 HD2 HIS 16 2HD HIS 16 5.866 6.525 -1.971
117 HE1 HIS 16 1HE HIS 16 8.821 6.669 -4.983
118 HE2 HIS 16 2HE HIS 16 7.769 7.951 -3.058
119 H LEU 17 H LEU 17 6.437 2.434 -0.740
120 HA LEU 17 HA LEU 17 8.962 3.714 -0.315
121 HB2 LEU 17 2HB LEU 17 6.997 2.250 1.441
122 HB3 LEU 17 1HB LEU 17 8.517 2.894 2.058
123 HG LEU 17 HG LEU 17 7.882 5.123 1.095
124 HD11 LEU 17 1HD1 LEU 17 6.307 4.747 -0.557
125 HD12 LEU 17 2HD1 LEU 17 5.271 5.250 0.776
126 HD13 LEU 17 3HD1 LEU 17 5.448 3.539 0.392
127 HD21 LEU 17 1HD2 LEU 17 7.459 4.369 3.511
128 HD22 LEU 17 2HD2 LEU 17 5.785 4.114 3.023
129 HD23 LEU 17 3HD2 LEU 17 6.490 5.726 2.939
130 H ALA 18 H ALA 18 7.775 0.378 -0.176
131 HA ALA 18 HA ALA 18 10.040 -0.891 0.821
132 HB1 ALA 18 1HB ALA 18 9.225 -2.816 -0.774
133 HB2 ALA 18 2HB ALA 18 7.852 -1.743 -1.044
134 HB3 ALA 18 3HB ALA 18 8.218 -2.313 0.584
135 H SER 19 H SER 19 9.407 0.379 -2.383
136 HA SER 19 HA SER 19 11.438 -0.899 -3.829
137 HB2 SER 19 2HB SER 19 9.545 0.732 -4.604
138 HB3 SER 19 1HB SER 19 10.752 1.980 -4.314
139 HG SER 19 HG SER 19 10.976 1.290 -6.417
140 H LYS 20 H LYS 20 11.521 1.856 -1.654
141 HA LYS 20 HA LYS 20 14.023 2.913 -2.259
142 HB2 LYS 20 2HB LYS 20 12.247 3.781 -0.625
143 HB3 LYS 20 1HB LYS 20 12.996 2.687 0.541
144 HG2 LYS 20 2HG LYS 20 15.146 3.787 0.287
145 HG3 LYS 20 1HG LYS 20 14.512 4.797 -1.012
146 HD2 LYS 20 2HD LYS 20 14.437 6.185 0.911
147 HD3 LYS 20 1HD LYS 20 12.779 5.626 0.698
148 HE2 LYS 20 2HE LYS 20 13.006 3.997 2.437
149 HE3 LYS 20 1HE LYS 20 14.755 4.210 2.501
150 HZ1 LYS 20 1HZ LYS 20 12.771 6.317 3.158
151 HZ2 LYS 20 2HZ LYS 20 14.458 6.434 3.313
152 HZ3 LYS 20 3HZ LYS 20 13.582 5.366 4.303
153 H VAL 21 H VAL 21 13.177 0.306 0.001
154 HA VAL 21 HA VAL 21 15.999 -0.223 0.527
155 HB VAL 21 HB VAL 21 14.464 -0.359 2.405
156 HG11 VAL 21 1HG1 VAL 21 13.084 -2.538 0.810
157 HG12 VAL 21 2HG1 VAL 21 12.433 -0.925 1.105
158 HG13 VAL 21 3HG1 VAL 21 12.670 -2.040 2.450
159 HG21 VAL 21 1HG2 VAL 21 15.157 -2.476 3.261
160 HG22 VAL 21 2HG2 VAL 21 16.417 -2.000 2.121
161 HG23 VAL 21 3HG2 VAL 21 15.207 -3.193 1.650
162 H MET 22 H MET 22 13.574 -1.247 -1.654
163 HA MET 22 HA MET 22 15.048 -3.744 -2.249
164 HB2 MET 22 2HB MET 22 12.243 -2.890 -3.016
165 HB3 MET 22 1HB MET 22 13.016 -4.400 -3.516
166 HG2 MET 22 2HG MET 22 13.422 -4.559 -0.842
167 HG3 MET 22 1HG MET 22 11.927 -3.614 -0.858
168 HE1 MET 22 1HE MET 22 10.496 -5.581 0.345
169 HE2 MET 22 2HE MET 22 12.140 -6.188 0.532
170 HE3 MET 22 3HE MET 22 10.866 -7.272 -0.021
171 HN1 NH2 23 HN1 NH2 23 15.693 -0.857 -3.146
172 HN2 NH2 23 HN2 NH2 23 15.787 -0.983 -4.836