NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
614434 |
5ua7   |
30218 | 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 -10.457 2.865 -13.583
2 H2 GLY 1 2HT GLY 1 -11.505 3.778 -14.560
3 H3 GLY 1 3HT GLY 1 -11.497 4.003 -12.876
4 HA2 GLY 1 2HA GLY 1 -9.688 5.035 -14.904
5 HA3 GLY 1 1HA GLY 1 -10.190 5.751 -13.366
6 H VAL 2 H VAL 2 -7.490 5.588 -14.364
7 HA VAL 2 HA VAL 2 -6.091 3.459 -13.052
8 HB VAL 2 HB VAL 2 -5.046 6.122 -14.044
9 HG11 VAL 2 1HG1 VAL 2 -3.692 3.494 -13.369
10 HG12 VAL 2 2HG1 VAL 2 -3.487 5.029 -12.525
11 HG13 VAL 2 3HG1 VAL 2 -2.897 4.845 -14.177
12 HG21 VAL 2 1HG2 VAL 2 -4.568 4.996 -16.116
13 HG22 VAL 2 2HG2 VAL 2 -6.258 4.663 -15.737
14 HG23 VAL 2 3HG2 VAL 2 -5.029 3.433 -15.440
15 H VAL 3 H VAL 3 -6.773 6.852 -12.282
16 HA VAL 3 HA VAL 3 -5.218 7.176 -10.019
17 HB VAL 3 HB VAL 3 -7.971 8.238 -10.558
18 HG11 VAL 3 1HG1 VAL 3 -5.882 8.951 -8.499
19 HG12 VAL 3 2HG1 VAL 3 -7.569 8.517 -8.222
20 HG13 VAL 3 3HG1 VAL 3 -7.167 10.066 -8.964
21 HG21 VAL 3 1HG2 VAL 3 -6.151 8.756 -12.229
22 HG22 VAL 3 2HG2 VAL 3 -5.266 9.543 -10.922
23 HG23 VAL 3 3HG2 VAL 3 -6.829 10.178 -11.436
24 H ASP 4 H ASP 4 -8.328 5.566 -10.368
25 HA ASP 4 HA ASP 4 -8.817 5.197 -7.588
26 HB2 ASP 4 2HB ASP 4 -10.547 5.034 -9.401
27 HB3 ASP 4 1HB ASP 4 -9.820 3.494 -9.879
28 H ILE 5 H ILE 5 -7.574 2.996 -10.106
29 HA ILE 5 HA ILE 5 -7.075 0.788 -8.466
30 HB ILE 5 HB ILE 5 -5.503 1.676 -10.897
31 HG12 ILE 5 2HG1 ILE 5 -7.861 -0.222 -10.738
32 HG13 ILE 5 1HG1 ILE 5 -8.022 1.485 -11.168
33 HG21 ILE 5 1HG2 ILE 5 -4.348 -0.081 -9.688
34 HG22 ILE 5 2HG2 ILE 5 -5.111 -0.799 -11.107
35 HG23 ILE 5 3HG2 ILE 5 -5.843 -1.001 -9.515
36 HD11 ILE 5 1HD1 ILE 5 -7.856 0.137 -13.204
37 HD12 ILE 5 2HD1 ILE 5 -6.349 -0.580 -12.632
38 HD13 ILE 5 3HD1 ILE 5 -6.413 1.136 -13.034
39 H LEU 6 H LEU 6 -4.805 3.347 -9.489
40 HA LEU 6 HA LEU 6 -2.569 2.521 -8.082
41 HB2 LEU 6 2HB LEU 6 -3.078 4.618 -9.680
42 HB3 LEU 6 1HB LEU 6 -3.149 5.448 -8.129
43 HG LEU 6 HG LEU 6 -0.874 5.567 -8.949
44 HD11 LEU 6 1HD1 LEU 6 -1.404 4.972 -6.478
45 HD12 LEU 6 2HD1 LEU 6 0.256 4.783 -7.042
46 HD13 LEU 6 3HD1 LEU 6 -0.787 3.371 -6.887
47 HD21 LEU 6 1HD2 LEU 6 0.274 3.838 -9.928
48 HD22 LEU 6 2HD2 LEU 6 -1.350 3.234 -10.247
49 HD23 LEU 6 3HD2 LEU 6 -0.435 2.621 -8.870
50 H LYS 7 H LYS 7 -5.368 4.349 -6.944
51 HA LYS 7 HA LYS 7 -4.412 5.072 -4.418
52 HB2 LYS 7 2HB LYS 7 -6.612 5.673 -5.712
53 HB3 LYS 7 1HB LYS 7 -7.241 4.309 -4.814
54 HG2 LYS 7 2HG LYS 7 -5.774 6.589 -3.479
55 HG3 LYS 7 1HG LYS 7 -7.520 6.585 -3.699
56 HD2 LYS 7 2HD LYS 7 -7.639 5.475 -1.728
57 HD3 LYS 7 1HD LYS 7 -7.015 4.072 -2.590
58 HE2 LYS 7 2HE LYS 7 -4.672 5.075 -2.116
59 HE3 LYS 7 1HE LYS 7 -5.498 6.083 -0.930
60 HZ1 LYS 7 1HZ LYS 7 -5.269 3.139 -0.997
61 HZ2 LYS 7 2HZ LYS 7 -6.476 3.912 -0.086
62 HZ3 LYS 7 3HZ LYS 7 -4.836 4.204 0.249
63 H GLY 8 H GLY 8 -6.561 2.349 -5.227
64 HA2 GLY 8 2HA GLY 8 -6.387 1.084 -2.717
65 HA3 GLY 8 1HA GLY 8 -6.873 0.302 -4.225
66 H ALA 9 H ALA 9 -4.217 1.172 -5.414
67 HA ALA 9 HA ALA 9 -2.784 -1.237 -4.788
68 HB1 ALA 9 1HB ALA 9 -2.860 -0.056 -7.048
69 HB2 ALA 9 2HB ALA 9 -1.270 -0.585 -6.499
70 HB3 ALA 9 3HB ALA 9 -1.731 1.112 -6.362
71 H ALA 10 H ALA 10 -2.589 2.122 -3.838
72 HA ALA 10 HA ALA 10 0.029 2.165 -2.809
73 HB1 ALA 10 1HB ALA 10 -0.616 4.151 -1.655
74 HB2 ALA 10 2HB ALA 10 -2.317 3.685 -1.665
75 HB3 ALA 10 3HB ALA 10 -1.519 4.144 -3.170
76 H LYS 11 H LYS 11 -3.045 1.727 -1.037
77 HA LYS 11 HA LYS 11 -2.032 1.193 1.471
78 HB2 LYS 11 2HB LYS 11 -4.110 -0.198 1.804
79 HB3 LYS 11 1HB LYS 11 -4.399 1.424 1.174
80 HG2 LYS 11 2HG LYS 11 -4.774 0.626 -1.029
81 HG3 LYS 11 1HG LYS 11 -4.068 -0.954 -0.661
82 HD2 LYS 11 2HD LYS 11 -6.548 -1.051 -0.749
83 HD3 LYS 11 1HD LYS 11 -5.932 -1.457 0.853
84 HE2 LYS 11 2HE LYS 11 -7.913 0.182 0.755
85 HE3 LYS 11 1HE LYS 11 -6.533 0.659 1.743
86 HZ1 LYS 11 1HZ LYS 11 -7.012 1.508 -1.063
87 HZ2 LYS 11 2HZ LYS 11 -5.709 1.988 -0.084
88 HZ3 LYS 11 3HZ LYS 11 -7.293 2.462 0.311
89 H ASP 12 H ASP 12 -1.942 -0.810 -1.361
90 HA ASP 12 HA ASP 12 -1.618 -3.343 -0.191
91 HB2 ASP 12 2HB ASP 12 -1.901 -2.690 -2.682
92 HB3 ASP 12 1HB ASP 12 -0.143 -2.499 -2.677
93 H ILE 13 H ILE 13 0.875 -1.024 -1.265
94 HA ILE 13 HA ILE 13 3.023 -2.549 -0.133
95 HB ILE 13 HB ILE 13 2.967 0.340 -1.039
96 HG12 ILE 13 2HG1 ILE 13 4.330 -1.094 -2.948
97 HG13 ILE 13 1HG1 ILE 13 3.096 -2.262 -2.466
98 HG21 ILE 13 1HG2 ILE 13 5.463 -0.162 -1.330
99 HG22 ILE 13 2HG2 ILE 13 5.184 -1.592 -0.336
100 HG23 ILE 13 3HG2 ILE 13 4.890 0.015 0.328
101 HD11 ILE 13 1HD1 ILE 13 2.741 0.472 -3.674
102 HD12 ILE 13 2HD1 ILE 13 1.448 -0.244 -2.712
103 HD13 ILE 13 3HD1 ILE 13 2.020 -1.059 -4.167
104 H ALA 14 H ALA 14 1.015 0.128 0.936
105 HA ALA 14 HA ALA 14 2.535 1.014 3.117
106 HB1 ALA 14 1HB ALA 14 0.370 2.001 2.108
107 HB2 ALA 14 2HB ALA 14 0.594 2.115 3.853
108 HB3 ALA 14 3HB ALA 14 -0.472 0.882 3.179
109 H GLY 15 H GLY 15 -0.172 -1.319 3.114
110 HA2 GLY 15 2HA GLY 15 0.099 -2.080 5.820
111 HA3 GLY 15 1HA GLY 15 -0.716 -3.021 4.565
112 H HIS 16 H HIS 16 2.195 -2.587 3.265
113 HA HIS 16 HA HIS 16 3.119 -5.221 4.052
114 HB2 HIS 16 2HB HIS 16 3.141 -4.115 1.675
115 HB3 HIS 16 1HB HIS 16 4.653 -3.421 2.243
116 HD2 HIS 16 2HD HIS 16 6.741 -5.330 2.737
117 HE1 HIS 16 1HE HIS 16 4.693 -8.591 1.006
118 HE2 HIS 16 2HE HIS 16 6.931 -7.799 1.907
119 H LEU 17 H LEU 17 4.883 -2.142 3.681
120 HA LEU 17 HA LEU 17 7.042 -2.835 5.297
121 HB2 LEU 17 2HB LEU 17 7.487 -0.424 5.370
122 HB3 LEU 17 1HB LEU 17 7.057 -0.938 3.741
123 HG LEU 17 HG LEU 17 4.606 -0.322 4.855
124 HD11 LEU 17 1HD1 LEU 17 4.788 1.768 6.018
125 HD12 LEU 17 2HD1 LEU 17 6.522 1.855 5.709
126 HD13 LEU 17 3HD1 LEU 17 5.884 0.644 6.821
127 HD21 LEU 17 1HD2 LEU 17 5.228 0.329 2.623
128 HD22 LEU 17 2HD2 LEU 17 6.522 1.364 3.227
129 HD23 LEU 17 3HD2 LEU 17 4.837 1.810 3.497
130 H ALA 18 H ALA 18 3.896 -1.498 6.107
131 HA ALA 18 HA ALA 18 4.320 -0.534 8.665
132 HB1 ALA 18 1HB ALA 18 2.158 -0.494 7.353
133 HB2 ALA 18 2HB ALA 18 1.985 -0.886 9.064
134 HB3 ALA 18 3HB ALA 18 1.909 -2.167 7.854
135 H SER 19 H SER 19 3.862 -3.880 7.604
136 HA SER 19 HA SER 19 3.728 -5.049 10.170
137 HB2 SER 19 2HB SER 19 4.081 -5.972 7.397
138 HB3 SER 19 1HB SER 19 4.820 -7.014 8.607
139 HG SER 19 HG SER 19 2.752 -6.886 9.720
140 H LYS 20 H LYS 20 6.428 -4.236 8.045
141 HA LYS 20 HA LYS 20 8.468 -5.562 9.450
142 HB2 LYS 20 2HB LYS 20 8.516 -4.380 7.139
143 HB3 LYS 20 1HB LYS 20 8.916 -2.950 8.079
144 HG2 LYS 20 2HG LYS 20 11.049 -3.769 7.674
145 HG3 LYS 20 1HG LYS 20 10.690 -4.569 9.204
146 HD2 LYS 20 2HD LYS 20 9.936 -6.577 7.985
147 HD3 LYS 20 1HD LYS 20 10.275 -5.776 6.451
148 HE2 LYS 20 2HE LYS 20 12.636 -5.656 6.957
149 HE3 LYS 20 1HE LYS 20 12.361 -6.241 8.598
150 HZ1 LYS 20 1HZ LYS 20 13.120 -8.037 7.226
151 HZ2 LYS 20 2HZ LYS 20 11.898 -7.748 6.082
152 HZ3 LYS 20 3HZ LYS 20 11.497 -8.313 7.633
153 H VAL 21 H VAL 21 6.762 -2.609 10.094
154 HA VAL 21 HA VAL 21 8.698 -1.560 11.954
155 HB VAL 21 HB VAL 21 5.780 -0.816 11.683
156 HG11 VAL 21 1HG1 VAL 21 8.235 0.602 12.758
157 HG12 VAL 21 2HG1 VAL 21 6.820 0.090 13.677
158 HG13 VAL 21 3HG1 VAL 21 6.680 1.391 12.494
159 HG21 VAL 21 1HG2 VAL 21 8.228 0.046 10.125
160 HG22 VAL 21 2HG2 VAL 21 6.762 1.024 10.198
161 HG23 VAL 21 3HG2 VAL 21 6.710 -0.591 9.491
162 H MET 22 H MET 22 5.734 -3.463 12.147
163 HA MET 22 HA MET 22 5.782 -3.461 15.063
164 HB2 MET 22 2HB MET 22 3.979 -4.971 13.154
165 HB3 MET 22 1HB MET 22 3.735 -4.768 14.895
166 HG2 MET 22 2HG MET 22 3.782 -2.241 14.450
167 HG3 MET 22 1HG MET 22 3.625 -2.651 12.735
168 HE1 MET 22 1HE MET 22 0.203 -3.878 12.168
169 HE2 MET 22 2HE MET 22 1.825 -4.540 11.983
170 HE3 MET 22 3HE MET 22 1.522 -2.848 11.595
171 H ASN 23 H ASN 23 6.774 -5.472 12.403
172 HA ASN 23 HA ASN 23 6.993 -7.917 13.871
173 HB2 ASN 23 2HB ASN 23 8.294 -7.001 11.297
174 HB3 ASN 23 1HB ASN 23 8.395 -8.641 11.936
175 HD21 ASN 23 1HD2 ASN 23 7.235 -9.126 9.772
176 HD22 ASN 23 2HD2 ASN 23 5.541 -9.017 9.762
177 HN1 NH2 24 HN1 NH2 24 9.365 -5.349 13.037
178 HN2 NH2 24 HN2 NH2 24 10.558 -5.894 14.139
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -9.540 5.641 -15.711
2 H2 GLY 1 2HT GLY 1 -10.814 4.611 -16.161
3 H3 GLY 1 3HT GLY 1 -9.335 3.959 -15.640
4 HA2 GLY 1 2HA GLY 1 -10.623 5.757 -13.763
5 HA3 GLY 1 1HA GLY 1 -11.463 4.228 -14.061
6 H VAL 2 H VAL 2 -8.363 3.572 -14.794
7 HA VAL 2 HA VAL 2 -7.832 1.802 -12.765
8 HB VAL 2 HB VAL 2 -5.785 3.468 -14.251
9 HG11 VAL 2 1HG1 VAL 2 -4.743 2.327 -12.402
10 HG12 VAL 2 2HG1 VAL 2 -4.383 1.394 -13.855
11 HG13 VAL 2 3HG1 VAL 2 -5.636 0.844 -12.743
12 HG21 VAL 2 1HG2 VAL 2 -7.225 2.373 -15.845
13 HG22 VAL 2 2HG2 VAL 2 -7.211 0.875 -14.915
14 HG23 VAL 2 3HG2 VAL 2 -5.749 1.414 -15.742
15 H VAL 3 H VAL 3 -7.769 5.230 -12.616
16 HA VAL 3 HA VAL 3 -5.908 5.853 -10.703
17 HB VAL 3 HB VAL 3 -8.707 6.897 -10.963
18 HG11 VAL 3 1HG1 VAL 3 -6.335 7.837 -9.352
19 HG12 VAL 3 2HG1 VAL 3 -7.979 7.533 -8.788
20 HG13 VAL 3 3HG1 VAL 3 -7.643 8.929 -9.813
21 HG21 VAL 3 1HG2 VAL 3 -6.062 7.999 -11.942
22 HG22 VAL 3 2HG2 VAL 3 -7.659 8.685 -12.248
23 HG23 VAL 3 3HG2 VAL 3 -7.216 7.131 -12.955
24 H ASP 4 H ASP 4 -8.905 4.112 -10.301
25 HA ASP 4 HA ASP 4 -9.029 4.295 -7.452
26 HB2 ASP 4 2HB ASP 4 -10.942 3.711 -9.015
27 HB3 ASP 4 1HB ASP 4 -10.212 2.107 -9.167
28 H ILE 5 H ILE 5 -7.998 1.693 -9.665
29 HA ILE 5 HA ILE 5 -7.151 -0.119 -7.696
30 HB ILE 5 HB ILE 5 -5.935 0.213 -10.445
31 HG12 ILE 5 2HG1 ILE 5 -8.428 -1.301 -9.597
32 HG13 ILE 5 1HG1 ILE 5 -8.411 0.180 -10.562
33 HG21 ILE 5 1HG2 ILE 5 -4.831 -1.364 -8.842
34 HG22 ILE 5 2HG2 ILE 5 -5.512 -2.178 -10.250
35 HG23 ILE 5 3HG2 ILE 5 -6.359 -2.234 -8.704
36 HD11 ILE 5 1HD1 ILE 5 -8.608 -1.686 -12.086
37 HD12 ILE 5 2HD1 ILE 5 -7.248 -2.512 -11.327
38 HD13 ILE 5 3HD1 ILE 5 -6.978 -1.032 -12.247
39 H LEU 6 H LEU 6 -5.400 2.464 -9.381
40 HA LEU 6 HA LEU 6 -2.849 1.934 -8.306
41 HB2 LEU 6 2HB LEU 6 -3.744 3.633 -10.183
42 HB3 LEU 6 1HB LEU 6 -3.648 4.761 -8.835
43 HG LEU 6 HG LEU 6 -1.534 4.810 -10.016
44 HD11 LEU 6 1HD1 LEU 6 -1.645 4.716 -7.425
45 HD12 LEU 6 2HD1 LEU 6 -0.078 4.488 -8.199
46 HD13 LEU 6 3HD1 LEU 6 -0.977 3.094 -7.602
47 HD21 LEU 6 1HD2 LEU 6 -0.413 2.969 -10.804
48 HD22 LEU 6 2HD2 LEU 6 -2.016 2.241 -10.737
49 HD23 LEU 6 3HD2 LEU 6 -0.868 1.965 -9.429
50 H LYS 7 H LYS 7 -5.588 3.804 -7.107
51 HA LYS 7 HA LYS 7 -4.313 5.072 -4.952
52 HB2 LYS 7 2HB LYS 7 -6.711 5.324 -6.006
53 HB3 LYS 7 1HB LYS 7 -7.122 4.181 -4.746
54 HG2 LYS 7 2HG LYS 7 -5.606 6.735 -4.186
55 HG3 LYS 7 1HG LYS 7 -7.362 6.639 -4.120
56 HD2 LYS 7 2HD LYS 7 -7.131 5.982 -1.966
57 HD3 LYS 7 1HD LYS 7 -6.533 4.448 -2.589
58 HE2 LYS 7 2HE LYS 7 -4.831 5.165 -1.117
59 HE3 LYS 7 1HE LYS 7 -4.227 5.628 -2.707
60 HZ1 LYS 7 1HZ LYS 7 -5.767 7.740 -1.897
61 HZ2 LYS 7 2HZ LYS 7 -4.070 7.673 -1.901
62 HZ3 LYS 7 3HZ LYS 7 -4.936 7.277 -0.494
63 H GLY 8 H GLY 8 -6.226 2.073 -5.039
64 HA2 GLY 8 2HA GLY 8 -5.840 1.352 -2.346
65 HA3 GLY 8 1HA GLY 8 -6.255 0.238 -3.652
66 H ALA 9 H ALA 9 -3.782 1.075 -5.139
67 HA ALA 9 HA ALA 9 -2.040 -0.939 -4.064
68 HB1 ALA 9 1HB ALA 9 -1.768 1.018 -6.348
69 HB2 ALA 9 2HB ALA 9 -2.098 -0.712 -6.439
70 HB3 ALA 9 3HB ALA 9 -0.511 -0.142 -5.923
71 H ALA 10 H ALA 10 -2.214 2.555 -3.931
72 HA ALA 10 HA ALA 10 0.430 3.092 -3.101
73 HB1 ALA 10 1HB ALA 10 -0.556 5.195 -2.161
74 HB2 ALA 10 2HB ALA 10 -2.155 4.564 -2.553
75 HB3 ALA 10 3HB ALA 10 -0.997 4.893 -3.842
76 H LYS 11 H LYS 11 -2.541 2.812 -1.130
77 HA LYS 11 HA LYS 11 -1.383 3.013 1.380
78 HB2 LYS 11 2HB LYS 11 -3.338 1.642 2.170
79 HB3 LYS 11 1HB LYS 11 -3.777 3.016 1.154
80 HG2 LYS 11 2HG LYS 11 -4.172 1.638 -0.739
81 HG3 LYS 11 1HG LYS 11 -3.332 0.262 -0.009
82 HD2 LYS 11 2HD LYS 11 -5.779 -0.048 0.088
83 HD3 LYS 11 1HD LYS 11 -5.095 0.091 1.708
84 HE2 LYS 11 2HE LYS 11 -7.215 1.462 1.240
85 HE3 LYS 11 1HE LYS 11 -5.857 2.333 1.951
86 HZ1 LYS 11 1HZ LYS 11 -6.822 3.548 0.097
87 HZ2 LYS 11 2HZ LYS 11 -6.526 2.237 -0.942
88 HZ3 LYS 11 3HZ LYS 11 -5.227 3.087 -0.252
89 H ASP 12 H ASP 12 -1.299 0.370 -0.873
90 HA ASP 12 HA ASP 12 -0.754 -1.785 0.817
91 HB2 ASP 12 2HB ASP 12 -1.108 -1.748 -1.740
92 HB3 ASP 12 1HB ASP 12 0.627 -1.415 -1.837
93 H ILE 13 H ILE 13 1.640 0.226 -0.920
94 HA ILE 13 HA ILE 13 3.930 -0.802 0.271
95 HB ILE 13 HB ILE 13 3.458 2.065 -0.583
96 HG12 ILE 13 2HG1 ILE 13 4.870 0.818 -2.595
97 HG13 ILE 13 1HG1 ILE 13 3.792 -0.479 -2.070
98 HG21 ILE 13 1HG2 ILE 13 5.961 0.409 -0.163
99 HG22 ILE 13 2HG2 ILE 13 5.489 1.863 0.714
100 HG23 ILE 13 3HG2 ILE 13 5.944 1.968 -0.985
101 HD11 ILE 13 1HD1 ILE 13 3.088 2.224 -3.196
102 HD12 ILE 13 2HD1 ILE 13 1.931 1.354 -2.191
103 HD13 ILE 13 3HD1 ILE 13 2.511 0.634 -3.692
104 H ALA 14 H ALA 14 1.831 1.842 1.368
105 HA ALA 14 HA ALA 14 3.391 2.582 3.614
106 HB1 ALA 14 1HB ALA 14 1.609 4.008 2.662
107 HB2 ALA 14 2HB ALA 14 1.376 3.732 4.389
108 HB3 ALA 14 3HB ALA 14 0.400 2.847 3.214
109 H GLY 15 H GLY 15 0.930 0.129 3.101
110 HA2 GLY 15 2HA GLY 15 0.831 -0.563 5.939
111 HA3 GLY 15 1HA GLY 15 -0.112 -1.305 4.642
112 H HIS 16 H HIS 16 2.831 -1.247 3.346
113 HA HIS 16 HA HIS 16 3.327 -4.030 3.892
114 HB2 HIS 16 2HB HIS 16 3.691 -3.241 1.654
115 HB3 HIS 16 1HB HIS 16 4.793 -2.003 2.237
116 HD2 HIS 16 2HD HIS 16 7.425 -2.881 2.712
117 HE1 HIS 16 1HE HIS 16 6.760 -6.947 1.792
118 HE2 HIS 16 2HE HIS 16 8.536 -5.212 2.327
119 H LEU 17 H LEU 17 5.556 -1.251 4.020
120 HA LEU 17 HA LEU 17 7.494 -2.435 5.607
121 HB2 LEU 17 2HB LEU 17 8.219 -0.148 6.088
122 HB3 LEU 17 1HB LEU 17 7.807 -0.327 4.384
123 HG LEU 17 HG LEU 17 5.399 0.405 5.518
124 HD11 LEU 17 1HD1 LEU 17 6.514 0.881 7.672
125 HD12 LEU 17 2HD1 LEU 17 5.869 2.352 6.943
126 HD13 LEU 17 3HD1 LEU 17 7.596 2.007 6.853
127 HD21 LEU 17 1HD2 LEU 17 5.868 2.633 4.496
128 HD22 LEU 17 2HD2 LEU 17 6.315 1.298 3.434
129 HD23 LEU 17 3HD2 LEU 17 7.561 2.168 4.330
130 H ALA 18 H ALA 18 4.482 -0.866 6.507
131 HA ALA 18 HA ALA 18 4.953 -0.487 9.246
132 HB1 ALA 18 1HB ALA 18 2.333 -1.202 7.911
133 HB2 ALA 18 2HB ALA 18 3.001 0.426 8.015
134 HB3 ALA 18 3HB ALA 18 2.530 -0.430 9.484
135 H SER 19 H SER 19 3.430 -3.245 7.570
136 HA SER 19 HA SER 19 3.056 -4.832 9.866
137 HB2 SER 19 2HB SER 19 2.946 -5.207 6.947
138 HB3 SER 19 1HB SER 19 3.332 -6.665 7.856
139 HG SER 19 HG SER 19 1.287 -5.014 8.802
140 H LYS 20 H LYS 20 5.801 -4.395 7.714
141 HA LYS 20 HA LYS 20 7.336 -6.611 8.477
142 HB2 LYS 20 2HB LYS 20 7.731 -4.873 6.597
143 HB3 LYS 20 1HB LYS 20 8.567 -3.967 7.849
144 HG2 LYS 20 2HG LYS 20 10.333 -5.220 7.016
145 HG3 LYS 20 1HG LYS 20 9.765 -6.288 8.298
146 HD2 LYS 20 2HD LYS 20 8.398 -7.532 6.656
147 HD3 LYS 20 1HD LYS 20 8.969 -6.464 5.375
148 HE2 LYS 20 2HE LYS 20 11.277 -7.192 5.760
149 HE3 LYS 20 1HE LYS 20 10.750 -8.214 7.096
150 HZ1 LYS 20 1HZ LYS 20 11.058 -9.329 4.866
151 HZ2 LYS 20 2HZ LYS 20 9.656 -8.511 4.363
152 HZ3 LYS 20 3HZ LYS 20 9.583 -9.615 5.653
153 H VAL 21 H VAL 21 6.892 -3.466 9.979
154 HA VAL 21 HA VAL 21 8.981 -3.846 11.927
155 HB VAL 21 HB VAL 21 6.698 -1.862 11.802
156 HG11 VAL 21 1HG1 VAL 21 8.235 -0.611 13.428
157 HG12 VAL 21 2HG1 VAL 21 9.070 -2.147 13.655
158 HG13 VAL 21 3HG1 VAL 21 7.367 -1.999 14.087
159 HG21 VAL 21 1HG2 VAL 21 9.626 -1.746 11.026
160 HG22 VAL 21 2HG2 VAL 21 8.603 -0.318 11.172
161 HG23 VAL 21 3HG2 VAL 21 8.233 -1.547 9.964
162 H MET 22 H MET 22 5.487 -4.296 11.800
163 HA MET 22 HA MET 22 5.149 -4.822 14.587
164 HB2 MET 22 2HB MET 22 3.438 -5.565 12.200
165 HB3 MET 22 1HB MET 22 2.945 -5.741 13.891
166 HG2 MET 22 2HG MET 22 3.448 -3.256 14.163
167 HG3 MET 22 1HG MET 22 3.576 -3.182 12.399
168 HE1 MET 22 1HE MET 22 1.453 -2.144 11.213
169 HE2 MET 22 2HE MET 22 1.976 -1.338 12.689
170 HE3 MET 22 3HE MET 22 0.257 -1.583 12.390
171 H ASN 23 H ASN 23 4.913 -7.051 11.804
172 HA ASN 23 HA ASN 23 4.893 -9.440 13.181
173 HB2 ASN 23 2HB ASN 23 6.462 -9.124 10.630
174 HB3 ASN 23 1HB ASN 23 5.488 -10.493 11.162
175 HD21 ASN 23 1HD2 ASN 23 3.354 -8.442 12.097
176 HD22 ASN 23 2HD2 ASN 23 2.553 -8.025 10.660
177 HN1 NH2 24 HN1 NH2 24 7.695 -7.357 12.541
178 HN2 NH2 24 HN2 NH2 24 8.818 -8.329 13.392
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -11.099 4.430 -16.268
2 H2 GLY 1 2HT GLY 1 -9.507 4.114 -15.760
3 H3 GLY 1 3HT GLY 1 -10.099 5.707 -15.768
4 HA2 GLY 1 2HA GLY 1 -10.936 5.510 -13.740
5 HA3 GLY 1 1HA GLY 1 -11.782 4.028 -14.212
6 H VAL 2 H VAL 2 -8.444 3.965 -14.853
7 HA VAL 2 HA VAL 2 -8.015 1.888 -12.899
8 HB VAL 2 HB VAL 2 -5.903 3.214 -14.600
9 HG11 VAL 2 1HG1 VAL 2 -6.268 0.431 -13.450
10 HG12 VAL 2 2HG1 VAL 2 -5.095 1.637 -12.919
11 HG13 VAL 2 3HG1 VAL 2 -4.948 0.909 -14.519
12 HG21 VAL 2 1HG2 VAL 2 -7.650 2.678 -16.151
13 HG22 VAL 2 2HG2 VAL 2 -7.989 1.149 -15.341
14 HG23 VAL 2 3HG2 VAL 2 -6.491 1.353 -16.248
15 H VAL 3 H VAL 3 -7.795 5.264 -12.885
16 HA VAL 3 HA VAL 3 -5.565 5.763 -11.272
17 HB VAL 3 HB VAL 3 -8.112 7.298 -11.000
18 HG11 VAL 3 1HG1 VAL 3 -6.530 9.195 -10.877
19 HG12 VAL 3 2HG1 VAL 3 -5.186 8.075 -11.108
20 HG13 VAL 3 3HG1 VAL 3 -6.174 7.981 -9.648
21 HG21 VAL 3 1HG2 VAL 3 -6.241 7.156 -13.365
22 HG22 VAL 3 2HG2 VAL 3 -7.252 8.568 -13.060
23 HG23 VAL 3 3HG2 VAL 3 -7.998 6.999 -13.360
24 H ASP 4 H ASP 4 -8.931 5.091 -10.360
25 HA ASP 4 HA ASP 4 -8.647 5.328 -7.588
26 HB2 ASP 4 2HB ASP 4 -10.794 5.054 -8.934
27 HB3 ASP 4 1HB ASP 4 -10.446 3.320 -8.947
28 H ILE 5 H ILE 5 -8.284 2.468 -9.676
29 HA ILE 5 HA ILE 5 -7.723 0.608 -7.643
30 HB ILE 5 HB ILE 5 -6.732 0.640 -10.504
31 HG12 ILE 5 2HG1 ILE 5 -9.144 -0.751 -9.301
32 HG13 ILE 5 1HG1 ILE 5 -9.233 0.789 -10.164
33 HG21 ILE 5 1HG2 ILE 5 -6.640 -1.846 -10.144
34 HG22 ILE 5 2HG2 ILE 5 -6.949 -1.561 -8.432
35 HG23 ILE 5 3HG2 ILE 5 -5.471 -0.951 -9.174
36 HD11 ILE 5 1HD1 ILE 5 -8.283 -1.868 -11.273
37 HD12 ILE 5 2HD1 ILE 5 -8.138 -0.335 -12.132
38 HD13 ILE 5 3HD1 ILE 5 -9.733 -0.979 -11.741
39 H LEU 6 H LEU 6 -5.529 2.574 -9.643
40 HA LEU 6 HA LEU 6 -3.117 1.631 -8.564
41 HB2 LEU 6 2HB LEU 6 -3.710 3.302 -10.580
42 HB3 LEU 6 1HB LEU 6 -3.310 4.503 -9.356
43 HG LEU 6 HG LEU 6 -1.294 3.973 -10.589
44 HD11 LEU 6 1HD1 LEU 6 -1.302 4.151 -7.999
45 HD12 LEU 6 2HD1 LEU 6 0.142 3.512 -8.785
46 HD13 LEU 6 3HD1 LEU 6 -1.008 2.411 -8.027
47 HD21 LEU 6 1HD2 LEU 6 -0.640 1.867 -11.217
48 HD22 LEU 6 2HD2 LEU 6 -2.356 1.514 -11.025
49 HD23 LEU 6 3HD2 LEU 6 -1.224 1.122 -9.731
50 H LYS 7 H LYS 7 -5.302 4.199 -7.502
51 HA LYS 7 HA LYS 7 -3.624 5.228 -5.466
52 HB2 LYS 7 2HB LYS 7 -5.835 6.136 -6.603
53 HB3 LYS 7 1HB LYS 7 -6.561 5.343 -5.222
54 HG2 LYS 7 2HG LYS 7 -4.283 7.313 -4.959
55 HG3 LYS 7 1HG LYS 7 -5.974 7.793 -4.881
56 HD2 LYS 7 2HD LYS 7 -5.900 7.329 -2.669
57 HD3 LYS 7 1HD LYS 7 -5.809 5.627 -3.106
58 HE2 LYS 7 2HE LYS 7 -3.928 5.954 -1.717
59 HE3 LYS 7 1HE LYS 7 -3.258 6.034 -3.345
60 HZ1 LYS 7 1HZ LYS 7 -3.428 8.450 -3.246
61 HZ2 LYS 7 2HZ LYS 7 -2.449 7.851 -1.994
62 HZ3 LYS 7 3HZ LYS 7 -4.038 8.356 -1.667
63 H GLY 8 H GLY 8 -6.011 2.658 -5.592
64 HA2 GLY 8 2HA GLY 8 -6.182 2.202 -2.792
65 HA3 GLY 8 1HA GLY 8 -6.657 1.068 -4.060
66 H ALA 9 H ALA 9 -3.915 1.250 -5.259
67 HA ALA 9 HA ALA 9 -2.756 -0.938 -3.803
68 HB1 ALA 9 1HB ALA 9 -1.431 0.659 -5.996
69 HB2 ALA 9 2HB ALA 9 -2.654 -0.569 -6.322
70 HB3 ALA 9 3HB ALA 9 -1.137 -1.020 -5.544
71 H ALA 10 H ALA 10 -2.239 2.515 -3.975
72 HA ALA 10 HA ALA 10 0.334 2.771 -2.980
73 HB1 ALA 10 1HB ALA 10 -1.919 4.562 -2.090
74 HB2 ALA 10 2HB ALA 10 -1.306 4.597 -3.743
75 HB3 ALA 10 3HB ALA 10 -0.235 4.985 -2.396
76 H LYS 11 H LYS 11 -2.556 1.742 -1.338
77 HA LYS 11 HA LYS 11 -1.607 2.232 1.322
78 HB2 LYS 11 2HB LYS 11 -3.570 1.190 2.060
79 HB3 LYS 11 1HB LYS 11 -4.044 1.884 0.510
80 HG2 LYS 11 2HG LYS 11 -3.323 -0.425 -0.476
81 HG3 LYS 11 1HG LYS 11 -3.464 -0.994 1.193
82 HD2 LYS 11 2HD LYS 11 -5.660 0.435 -0.339
83 HD3 LYS 11 1HD LYS 11 -5.576 -1.309 -0.089
84 HE2 LYS 11 2HE LYS 11 -5.508 -0.842 2.403
85 HE3 LYS 11 1HE LYS 11 -5.883 0.839 2.021
86 HZ1 LYS 11 1HZ LYS 11 -8.004 0.274 1.899
87 HZ2 LYS 11 2HZ LYS 11 -7.633 -1.361 2.176
88 HZ3 LYS 11 3HZ LYS 11 -7.659 -0.749 0.591
89 H ASP 12 H ASP 12 -1.359 -0.420 -0.957
90 HA ASP 12 HA ASP 12 -0.607 -2.484 0.784
91 HB2 ASP 12 2HB ASP 12 -1.118 -2.643 -1.708
92 HB3 ASP 12 1HB ASP 12 0.539 -2.085 -1.982
93 H ILE 13 H ILE 13 1.554 -0.418 -1.175
94 HA ILE 13 HA ILE 13 3.955 -1.244 -0.006
95 HB ILE 13 HB ILE 13 3.468 1.569 -0.983
96 HG12 ILE 13 2HG1 ILE 13 4.311 0.234 -3.208
97 HG13 ILE 13 1HG1 ILE 13 3.318 -1.017 -2.457
98 HG21 ILE 13 1HG2 ILE 13 5.802 1.274 -1.803
99 HG22 ILE 13 2HG2 ILE 13 5.829 -0.333 -1.078
100 HG23 ILE 13 3HG2 ILE 13 5.676 1.094 -0.053
101 HD11 ILE 13 1HD1 ILE 13 1.730 0.116 -3.728
102 HD12 ILE 13 2HD1 ILE 13 2.508 1.680 -3.497
103 HD13 ILE 13 3HD1 ILE 13 1.579 0.956 -2.186
104 H ALA 14 H ALA 14 1.638 1.214 0.991
105 HA ALA 14 HA ALA 14 3.285 2.305 3.071
106 HB1 ALA 14 1HB ALA 14 1.256 3.483 3.761
107 HB2 ALA 14 2HB ALA 14 0.284 2.466 2.697
108 HB3 ALA 14 3HB ALA 14 1.458 3.591 2.013
109 H GLY 15 H GLY 15 0.837 -0.214 2.862
110 HA2 GLY 15 2HA GLY 15 0.777 -0.613 5.747
111 HA3 GLY 15 1HA GLY 15 -0.128 -1.530 4.539
112 H HIS 16 H HIS 16 2.956 -1.376 3.413
113 HA HIS 16 HA HIS 16 3.496 -4.119 4.141
114 HB2 HIS 16 2HB HIS 16 3.974 -2.889 1.883
115 HB3 HIS 16 1HB HIS 16 5.447 -2.388 2.702
116 HD2 HIS 16 2HD HIS 16 4.797 -5.048 0.351
117 HE1 HIS 16 1HE HIS 16 7.010 -7.066 3.327
118 HE2 HIS 16 2HE HIS 16 6.159 -7.197 0.937
119 H LEU 17 H LEU 17 5.294 -1.055 4.497
120 HA LEU 17 HA LEU 17 7.323 -2.053 6.141
121 HB2 LEU 17 2HB LEU 17 7.678 0.307 6.745
122 HB3 LEU 17 1HB LEU 17 7.468 0.107 5.007
123 HG LEU 17 HG LEU 17 4.880 0.480 5.890
124 HD11 LEU 17 1HD1 LEU 17 6.591 2.475 7.383
125 HD12 LEU 17 2HD1 LEU 17 5.882 1.057 8.154
126 HD13 LEU 17 3HD1 LEU 17 4.838 2.294 7.453
127 HD21 LEU 17 1HD2 LEU 17 6.907 2.515 4.922
128 HD22 LEU 17 2HD2 LEU 17 5.168 2.801 4.969
129 HD23 LEU 17 3HD2 LEU 17 5.827 1.544 3.921
130 H ALA 18 H ALA 18 4.107 -0.815 6.890
131 HA ALA 18 HA ALA 18 4.381 -0.556 9.674
132 HB1 ALA 18 1HB ALA 18 1.853 -1.454 8.296
133 HB2 ALA 18 2HB ALA 18 2.438 0.206 8.195
134 HB3 ALA 18 3HB ALA 18 2.013 -0.485 9.760
135 H SER 19 H SER 19 3.462 -3.333 7.669
136 HA SER 19 HA SER 19 2.858 -5.102 9.783
137 HB2 SER 19 2HB SER 19 3.331 -5.288 6.882
138 HB3 SER 19 1HB SER 19 3.734 -6.748 7.779
139 HG SER 19 HG SER 19 1.422 -6.234 7.013
140 H LYS 20 H LYS 20 5.865 -4.230 8.182
141 HA LYS 20 HA LYS 20 7.489 -6.296 9.186
142 HB2 LYS 20 2HB LYS 20 7.980 -4.501 7.375
143 HB3 LYS 20 1HB LYS 20 8.514 -3.531 8.739
144 HG2 LYS 20 2HG LYS 20 10.509 -4.586 8.206
145 HG3 LYS 20 1HG LYS 20 9.853 -5.733 9.373
146 HD2 LYS 20 2HD LYS 20 8.753 -6.885 7.335
147 HD3 LYS 20 1HD LYS 20 9.867 -5.926 6.360
148 HE2 LYS 20 2HE LYS 20 10.581 -7.940 8.506
149 HE3 LYS 20 1HE LYS 20 10.929 -8.050 6.781
150 HZ1 LYS 20 1HZ LYS 20 12.265 -6.512 8.848
151 HZ2 LYS 20 2HZ LYS 20 12.052 -5.714 7.363
152 HZ3 LYS 20 3HZ LYS 20 12.889 -7.192 7.425
153 H VAL 21 H VAL 21 6.886 -3.018 10.428
154 HA VAL 21 HA VAL 21 8.542 -2.972 12.617
155 HB VAL 21 HB VAL 21 5.701 -1.944 12.432
156 HG11 VAL 21 1HG1 VAL 21 6.298 -1.980 14.750
157 HG12 VAL 21 2HG1 VAL 21 6.579 -0.327 14.201
158 HG13 VAL 21 3HG1 VAL 21 7.938 -1.432 14.404
159 HG21 VAL 21 1HG2 VAL 21 6.682 0.103 11.684
160 HG22 VAL 21 2HG2 VAL 21 7.459 -1.166 10.736
161 HG23 VAL 21 3HG2 VAL 21 8.307 -0.440 12.103
162 H MET 22 H MET 22 5.659 -4.864 12.149
163 HA MET 22 HA MET 22 5.343 -5.562 14.933
164 HB2 MET 22 2HB MET 22 4.166 -6.920 12.498
165 HB3 MET 22 1HB MET 22 3.593 -7.038 14.168
166 HG2 MET 22 2HG MET 22 3.308 -4.489 14.086
167 HG3 MET 22 1HG MET 22 3.514 -4.634 12.334
168 HE1 MET 22 1HE MET 22 1.036 -4.196 14.935
169 HE2 MET 22 2HE MET 22 -0.337 -4.252 13.833
170 HE3 MET 22 3HE MET 22 1.083 -3.297 13.413
171 H ASN 23 H ASN 23 6.239 -7.431 12.021
172 HA ASN 23 HA ASN 23 7.129 -9.698 13.494
173 HB2 ASN 23 2HB ASN 23 7.668 -8.808 10.653
174 HB3 ASN 23 1HB ASN 23 8.170 -10.365 11.310
175 HD21 ASN 23 1HD2 ASN 23 6.270 -10.095 9.130
176 HD22 ASN 23 2HD2 ASN 23 4.777 -10.685 9.684
177 HN1 NH2 24 HN1 NH2 24 8.612 -6.640 12.946
178 HN2 NH2 24 HN2 NH2 24 10.206 -7.094 13.382
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -12.346 4.066 -12.643
2 H2 GLY 1 2HT GLY 1 -11.370 4.381 -13.997
3 H3 GLY 1 3HT GLY 1 -12.710 5.370 -13.662
4 HA2 GLY 1 2HA GLY 1 -10.925 6.640 -12.932
5 HA3 GLY 1 1HA GLY 1 -11.556 5.883 -11.461
6 H VAL 2 H VAL 2 -8.802 6.422 -13.270
7 HA VAL 2 HA VAL 2 -7.376 3.988 -12.759
8 HB VAL 2 HB VAL 2 -6.302 6.742 -13.412
9 HG11 VAL 2 1HG1 VAL 2 -4.572 5.269 -12.544
10 HG12 VAL 2 2HG1 VAL 2 -4.375 5.398 -14.291
11 HG13 VAL 2 3HG1 VAL 2 -5.113 3.957 -13.591
12 HG21 VAL 2 1HG2 VAL 2 -6.208 5.771 -15.746
13 HG22 VAL 2 2HG2 VAL 2 -7.841 6.058 -15.146
14 HG23 VAL 2 3HG2 VAL 2 -7.180 4.423 -15.157
15 H VAL 3 H VAL 3 -7.220 7.258 -11.341
16 HA VAL 3 HA VAL 3 -5.311 6.904 -9.418
17 HB VAL 3 HB VAL 3 -7.902 8.385 -9.111
18 HG11 VAL 3 1HG1 VAL 3 -5.298 8.466 -7.584
19 HG12 VAL 3 2HG1 VAL 3 -6.912 8.156 -6.943
20 HG13 VAL 3 3HG1 VAL 3 -6.484 9.769 -7.514
21 HG21 VAL 3 1HG2 VAL 3 -6.435 8.963 -11.098
22 HG22 VAL 3 2HG2 VAL 3 -5.184 9.419 -9.940
23 HG23 VAL 3 3HG2 VAL 3 -6.716 10.292 -9.974
24 H ASP 4 H ASP 4 -8.755 6.079 -9.133
25 HA ASP 4 HA ASP 4 -8.780 5.191 -6.498
26 HB2 ASP 4 2HB ASP 4 -10.791 5.464 -7.941
27 HB3 ASP 4 1HB ASP 4 -10.328 3.994 -8.809
28 H ILE 5 H ILE 5 -7.978 3.404 -9.462
29 HA ILE 5 HA ILE 5 -7.540 0.905 -8.165
30 HB ILE 5 HB ILE 5 -6.448 1.919 -10.801
31 HG12 ILE 5 2HG1 ILE 5 -8.904 0.224 -10.248
32 HG13 ILE 5 1HG1 ILE 5 -8.963 1.968 -10.530
33 HG21 ILE 5 1HG2 ILE 5 -5.240 -0.046 -10.041
34 HG22 ILE 5 2HG2 ILE 5 -6.359 -0.541 -11.311
35 HG23 ILE 5 3HG2 ILE 5 -6.748 -0.859 -9.621
36 HD11 ILE 5 1HD1 ILE 5 -9.385 0.903 -12.646
37 HD12 ILE 5 2HD1 ILE 5 -8.001 -0.172 -12.446
38 HD13 ILE 5 3HD1 ILE 5 -7.748 1.553 -12.715
39 H LEU 6 H LEU 6 -5.284 3.380 -9.402
40 HA LEU 6 HA LEU 6 -2.899 2.197 -8.625
41 HB2 LEU 6 2HB LEU 6 -3.506 4.505 -9.861
42 HB3 LEU 6 1HB LEU 6 -3.150 5.148 -8.261
43 HG LEU 6 HG LEU 6 -1.105 5.166 -9.558
44 HD11 LEU 6 1HD1 LEU 6 0.315 4.063 -8.042
45 HD12 LEU 6 2HD1 LEU 6 -0.824 2.742 -7.789
46 HD13 LEU 6 3HD1 LEU 6 -1.152 4.333 -7.102
47 HD21 LEU 6 1HD2 LEU 6 -2.103 3.058 -10.939
48 HD22 LEU 6 2HD2 LEU 6 -0.996 2.202 -9.865
49 HD23 LEU 6 3HD2 LEU 6 -0.388 3.469 -10.929
50 H LYS 7 H LYS 7 -5.205 4.067 -6.727
51 HA LYS 7 HA LYS 7 -3.617 4.336 -4.402
52 HB2 LYS 7 2HB LYS 7 -5.882 5.463 -5.183
53 HB3 LYS 7 1HB LYS 7 -6.557 4.163 -4.226
54 HG2 LYS 7 2HG LYS 7 -4.420 6.017 -3.161
55 HG3 LYS 7 1HG LYS 7 -6.139 6.347 -2.981
56 HD2 LYS 7 2HD LYS 7 -6.082 5.095 -1.099
57 HD3 LYS 7 1HD LYS 7 -5.876 3.686 -2.135
58 HE2 LYS 7 2HE LYS 7 -4.043 3.556 -0.658
59 HE3 LYS 7 1HE LYS 7 -3.349 4.297 -2.099
60 HZ1 LYS 7 1HZ LYS 7 -3.546 5.350 0.510
61 HZ2 LYS 7 2HZ LYS 7 -4.394 6.354 -0.566
62 HZ3 LYS 7 3HZ LYS 7 -2.755 6.001 -0.841
63 H GLY 8 H GLY 8 -5.709 1.819 -5.626
64 HA2 GLY 8 2HA GLY 8 -5.917 0.339 -3.200
65 HA3 GLY 8 1HA GLY 8 -6.279 -0.261 -4.821
66 H ALA 9 H ALA 9 -3.751 0.190 -6.006
67 HA ALA 9 HA ALA 9 -2.356 -2.146 -5.088
68 HB1 ALA 9 1HB ALA 9 -1.661 -0.077 -7.184
69 HB2 ALA 9 2HB ALA 9 -2.403 -1.654 -7.458
70 HB3 ALA 9 3HB ALA 9 -0.736 -1.551 -6.893
71 H ALA 10 H ALA 10 -1.992 1.309 -4.691
72 HA ALA 10 HA ALA 10 0.685 1.419 -3.861
73 HB1 ALA 10 1HB ALA 10 -1.723 3.124 -3.264
74 HB2 ALA 10 2HB ALA 10 -0.351 3.484 -4.312
75 HB3 ALA 10 3HB ALA 10 -0.146 3.483 -2.559
76 H LYS 11 H LYS 11 -2.250 1.295 -1.814
77 HA LYS 11 HA LYS 11 -1.043 1.125 0.658
78 HB2 LYS 11 2HB LYS 11 -3.076 -0.156 1.376
79 HB3 LYS 11 1HB LYS 11 -3.434 1.329 0.497
80 HG2 LYS 11 2HG LYS 11 -4.050 0.182 -1.460
81 HG3 LYS 11 1HG LYS 11 -3.197 -1.292 -0.978
82 HD2 LYS 11 2HD LYS 11 -4.861 -1.477 0.944
83 HD3 LYS 11 1HD LYS 11 -5.782 -0.195 0.157
84 HE2 LYS 11 2HE LYS 11 -6.602 -2.454 -0.478
85 HE3 LYS 11 1HE LYS 11 -5.993 -1.557 -1.869
86 HZ1 LYS 11 1HZ LYS 11 -5.213 -4.048 -1.125
87 HZ2 LYS 11 2HZ LYS 11 -3.959 -3.067 -0.530
88 HZ3 LYS 11 3HZ LYS 11 -4.366 -3.022 -2.179
89 H ASP 12 H ASP 12 -1.169 -1.281 -1.841
90 HA ASP 12 HA ASP 12 -0.786 -3.631 -0.392
91 HB2 ASP 12 2HB ASP 12 -1.098 -3.306 -2.931
92 HB3 ASP 12 1HB ASP 12 0.654 -3.075 -2.982
93 H ILE 13 H ILE 13 1.685 -1.421 -1.712
94 HA ILE 13 HA ILE 13 3.853 -2.820 -0.454
95 HB ILE 13 HB ILE 13 3.816 -0.018 -1.598
96 HG12 ILE 13 2HG1 ILE 13 5.053 -1.625 -3.456
97 HG13 ILE 13 1HG1 ILE 13 3.793 -2.707 -2.855
98 HG21 ILE 13 1HG2 ILE 13 6.268 -0.546 -1.922
99 HG22 ILE 13 2HG2 ILE 13 6.019 -1.989 -0.938
100 HG23 ILE 13 3HG2 ILE 13 5.769 -0.389 -0.238
101 HD11 ILE 13 1HD1 ILE 13 2.715 -1.563 -4.603
102 HD12 ILE 13 2HD1 ILE 13 3.495 -0.032 -4.209
103 HD13 ILE 13 3HD1 ILE 13 2.210 -0.657 -3.177
104 H ALA 14 H ALA 14 2.318 0.350 0.119
105 HA ALA 14 HA ALA 14 3.753 1.146 2.347
106 HB1 ALA 14 1HB ALA 14 1.974 2.638 2.824
107 HB2 ALA 14 2HB ALA 14 0.777 1.566 2.097
108 HB3 ALA 14 3HB ALA 14 1.933 2.418 1.074
109 H GLY 15 H GLY 15 0.970 -1.036 2.170
110 HA2 GLY 15 2HA GLY 15 0.717 -1.347 5.011
111 HA3 GLY 15 1HA GLY 15 -0.049 -2.350 3.774
112 H HIS 16 H HIS 16 3.040 -2.395 2.854
113 HA HIS 16 HA HIS 16 3.518 -5.004 4.017
114 HB2 HIS 16 2HB HIS 16 4.006 -4.264 1.594
115 HB3 HIS 16 1HB HIS 16 5.441 -3.520 2.281
116 HD2 HIS 16 2HD HIS 16 5.131 -6.557 0.465
117 HE1 HIS 16 1HE HIS 16 7.148 -7.928 3.912
118 HE2 HIS 16 2HE HIS 16 6.527 -8.498 1.516
119 H LEU 17 H LEU 17 5.593 -2.116 3.707
120 HA LEU 17 HA LEU 17 7.456 -2.864 5.642
121 HB2 LEU 17 2HB LEU 17 8.098 -0.500 5.633
122 HB3 LEU 17 1HB LEU 17 7.838 -1.089 3.992
123 HG LEU 17 HG LEU 17 5.327 -0.202 4.727
124 HD11 LEU 17 1HD1 LEU 17 5.566 1.971 5.753
125 HD12 LEU 17 2HD1 LEU 17 7.324 1.836 5.734
126 HD13 LEU 17 3HD1 LEU 17 6.373 0.794 6.790
127 HD21 LEU 17 1HD2 LEU 17 7.590 1.167 3.261
128 HD22 LEU 17 2HD2 LEU 17 5.957 1.831 3.311
129 HD23 LEU 17 3HD2 LEU 17 6.247 0.259 2.568
130 H ALA 18 H ALA 18 4.370 -1.200 5.929
131 HA ALA 18 HA ALA 18 4.563 -0.135 8.485
132 HB1 ALA 18 1HB ALA 18 2.630 0.244 7.026
133 HB2 ALA 18 2HB ALA 18 2.109 -0.374 8.594
134 HB3 ALA 18 3HB ALA 18 2.158 -1.446 7.194
135 H SER 19 H SER 19 3.502 -3.406 7.548
136 HA SER 19 HA SER 19 3.045 -4.371 10.148
137 HB2 SER 19 2HB SER 19 3.308 -5.499 7.452
138 HB3 SER 19 1HB SER 19 3.823 -6.598 8.727
139 HG SER 19 HG SER 19 1.815 -6.805 9.298
140 H LYS 20 H LYS 20 5.970 -3.991 8.277
141 HA LYS 20 HA LYS 20 7.676 -5.723 9.669
142 HB2 LYS 20 2HB LYS 20 8.081 -4.339 7.514
143 HB3 LYS 20 1HB LYS 20 8.600 -3.084 8.629
144 HG2 LYS 20 2HG LYS 20 10.622 -4.166 8.279
145 HG3 LYS 20 1HG LYS 20 10.032 -5.050 9.685
146 HD2 LYS 20 2HD LYS 20 9.118 -6.803 8.222
147 HD3 LYS 20 1HD LYS 20 9.658 -5.911 6.800
148 HE2 LYS 20 2HE LYS 20 12.009 -6.044 7.738
149 HE3 LYS 20 1HE LYS 20 11.384 -7.164 8.948
150 HZ1 LYS 20 1HZ LYS 20 11.640 -8.764 7.459
151 HZ2 LYS 20 2HZ LYS 20 12.056 -7.655 6.241
152 HZ3 LYS 20 3HZ LYS 20 10.426 -8.047 6.517
153 H VAL 21 H VAL 21 6.648 -2.426 10.362
154 HA VAL 21 HA VAL 21 8.452 -2.046 12.557
155 HB VAL 21 HB VAL 21 5.902 -0.596 11.809
156 HG11 VAL 21 1HG1 VAL 21 6.331 -0.176 14.130
157 HG12 VAL 21 2HG1 VAL 21 6.963 1.217 13.253
158 HG13 VAL 21 3HG1 VAL 21 8.066 -0.023 13.848
159 HG21 VAL 21 1HG2 VAL 21 7.550 -0.346 10.073
160 HG22 VAL 21 2HG2 VAL 21 8.840 -0.106 11.252
161 HG23 VAL 21 3HG2 VAL 21 7.601 1.130 11.037
162 H MET 22 H MET 22 4.926 -2.594 12.393
163 HA MET 22 HA MET 22 4.466 -2.830 15.137
164 HB2 MET 22 2HB MET 22 3.040 -4.258 12.877
165 HB3 MET 22 1HB MET 22 2.416 -4.034 14.518
166 HG2 MET 22 2HG MET 22 2.407 -1.621 14.244
167 HG3 MET 22 1HG MET 22 3.194 -1.760 12.665
168 HE1 MET 22 1HE MET 22 1.009 -0.022 12.588
169 HE2 MET 22 2HE MET 22 -0.172 -0.600 11.415
170 HE3 MET 22 3HE MET 22 1.546 -0.689 11.040
171 H ASN 23 H ASN 23 4.934 -5.467 12.771
172 HA ASN 23 HA ASN 23 5.136 -7.478 14.802
173 HB2 ASN 23 2HB ASN 23 6.090 -7.674 11.941
174 HB3 ASN 23 1HB ASN 23 5.613 -8.993 13.010
175 HD21 ASN 23 1HD2 ASN 23 4.408 -8.214 10.368
176 HD22 ASN 23 2HD2 ASN 23 2.771 -7.909 10.694
177 HN1 NH2 24 HN1 NH2 24 7.223 -5.042 14.367
178 HN2 NH2 24 HN2 NH2 24 8.710 -5.845 14.651
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -11.462 5.372 -13.576
2 H2 GLY 1 2HT GLY 1 -9.973 6.166 -13.374
3 H3 GLY 1 3HT GLY 1 -10.403 4.884 -12.346
4 HA2 GLY 1 2HA GLY 1 -10.507 3.472 -14.458
5 HA3 GLY 1 1HA GLY 1 -9.568 4.791 -15.175
6 H VAL 2 H VAL 2 -7.532 5.377 -14.130
7 HA VAL 2 HA VAL 2 -6.112 3.007 -13.204
8 HB VAL 2 HB VAL 2 -5.100 5.803 -13.773
9 HG11 VAL 2 1HG1 VAL 2 -2.912 4.464 -13.994
10 HG12 VAL 2 2HG1 VAL 2 -3.757 3.171 -13.146
11 HG13 VAL 2 3HG1 VAL 2 -3.520 4.732 -12.360
12 HG21 VAL 2 1HG2 VAL 2 -4.251 4.716 -15.873
13 HG22 VAL 2 2HG2 VAL 2 -6.011 4.793 -15.791
14 HG23 VAL 2 3HG2 VAL 2 -5.178 3.276 -15.451
15 H VAL 3 H VAL 3 -7.255 6.077 -11.963
16 HA VAL 3 HA VAL 3 -5.750 6.255 -9.617
17 HB VAL 3 HB VAL 3 -8.572 7.117 -10.156
18 HG11 VAL 3 1HG1 VAL 3 -8.332 7.064 -7.783
19 HG12 VAL 3 2HG1 VAL 3 -8.043 8.740 -8.251
20 HG13 VAL 3 3HG1 VAL 3 -6.683 7.683 -7.870
21 HG21 VAL 3 1HG2 VAL 3 -6.016 8.733 -10.115
22 HG22 VAL 3 2HG2 VAL 3 -7.605 9.260 -10.669
23 HG23 VAL 3 3HG2 VAL 3 -6.705 8.056 -11.590
24 H ASP 4 H ASP 4 -8.951 4.773 -10.107
25 HA ASP 4 HA ASP 4 -9.439 3.866 -7.543
26 HB2 ASP 4 2HB ASP 4 -11.032 3.691 -9.439
27 HB3 ASP 4 1HB ASP 4 -10.056 2.373 -10.105
28 H ILE 5 H ILE 5 -7.198 2.632 -9.917
29 HA ILE 5 HA ILE 5 -6.675 0.197 -8.395
30 HB ILE 5 HB ILE 5 -5.166 1.211 -10.806
31 HG12 ILE 5 2HG1 ILE 5 -7.701 -0.461 -10.689
32 HG13 ILE 5 1HG1 ILE 5 -7.569 1.178 -11.336
33 HG21 ILE 5 1HG2 ILE 5 -4.269 -0.704 -9.413
34 HG22 ILE 5 2HG2 ILE 5 -4.596 -1.113 -11.097
35 HG23 ILE 5 3HG2 ILE 5 -5.726 -1.604 -9.834
36 HD11 ILE 5 1HD1 ILE 5 -7.466 -0.300 -13.222
37 HD12 ILE 5 2HD1 ILE 5 -6.292 -1.344 -12.420
38 HD13 ILE 5 3HD1 ILE 5 -5.820 0.271 -12.948
39 H LEU 6 H LEU 6 -4.804 3.033 -9.496
40 HA LEU 6 HA LEU 6 -2.440 2.491 -8.128
41 HB2 LEU 6 2HB LEU 6 -3.172 4.426 -9.819
42 HB3 LEU 6 1HB LEU 6 -3.361 5.328 -8.319
43 HG LEU 6 HG LEU 6 -1.109 5.682 -9.128
44 HD11 LEU 6 1HD1 LEU 6 0.101 5.114 -7.183
45 HD12 LEU 6 2HD1 LEU 6 -0.803 3.621 -6.948
46 HD13 LEU 6 3HD1 LEU 6 -1.574 5.177 -6.637
47 HD21 LEU 6 1HD2 LEU 6 -1.275 3.254 -10.315
48 HD22 LEU 6 2HD2 LEU 6 -0.327 2.812 -8.895
49 HD23 LEU 6 3HD2 LEU 6 0.262 4.055 -9.997
50 H LYS 7 H LYS 7 -5.290 4.326 -7.044
51 HA LYS 7 HA LYS 7 -4.336 5.106 -4.544
52 HB2 LYS 7 2HB LYS 7 -6.536 5.660 -5.869
53 HB3 LYS 7 1HB LYS 7 -7.168 4.347 -4.902
54 HG2 LYS 7 2HG LYS 7 -5.686 6.687 -3.693
55 HG3 LYS 7 1HG LYS 7 -7.433 6.674 -3.900
56 HD2 LYS 7 2HD LYS 7 -7.549 5.656 -1.882
57 HD3 LYS 7 1HD LYS 7 -6.903 4.218 -2.665
58 HE2 LYS 7 2HE LYS 7 -5.429 4.596 -0.857
59 HE3 LYS 7 1HE LYS 7 -4.576 5.274 -2.242
60 HZ1 LYS 7 1HZ LYS 7 -5.728 6.605 0.052
61 HZ2 LYS 7 2HZ LYS 7 -6.040 7.363 -1.437
62 HZ3 LYS 7 3HZ LYS 7 -4.439 7.078 -0.944
63 H GLY 8 H GLY 8 -6.305 2.264 -5.392
64 HA2 GLY 8 2HA GLY 8 -6.294 1.112 -2.815
65 HA3 GLY 8 1HA GLY 8 -6.621 0.253 -4.323
66 H ALA 9 H ALA 9 -3.986 1.061 -5.437
67 HA ALA 9 HA ALA 9 -2.477 -1.185 -4.475
68 HB1 ALA 9 1HB ALA 9 -2.380 -0.584 -6.827
69 HB2 ALA 9 2HB ALA 9 -0.775 -0.404 -6.117
70 HB3 ALA 9 3HB ALA 9 -1.769 1.020 -6.424
71 H ALA 10 H ALA 10 -2.448 2.273 -3.935
72 HA ALA 10 HA ALA 10 0.129 2.561 -2.853
73 HB1 ALA 10 1HB ALA 10 -0.629 4.631 -1.966
74 HB2 ALA 10 2HB ALA 10 -2.303 4.079 -1.912
75 HB3 ALA 10 3HB ALA 10 -1.529 4.397 -3.464
76 H LYS 11 H LYS 11 -2.965 2.160 -1.106
77 HA LYS 11 HA LYS 11 -1.961 1.947 1.465
78 HB2 LYS 11 2HB LYS 11 -4.012 0.566 1.936
79 HB3 LYS 11 1HB LYS 11 -4.332 2.093 1.114
80 HG2 LYS 11 2HG LYS 11 -4.714 1.041 -0.964
81 HG3 LYS 11 1HG LYS 11 -3.906 -0.449 -0.456
82 HD2 LYS 11 2HD LYS 11 -6.340 -0.772 -0.471
83 HD3 LYS 11 1HD LYS 11 -5.725 -0.859 1.179
84 HE2 LYS 11 2HE LYS 11 -7.821 0.553 0.869
85 HE3 LYS 11 1HE LYS 11 -6.476 1.362 1.674
86 HZ1 LYS 11 1HZ LYS 11 -7.061 1.554 -1.230
87 HZ2 LYS 11 2HZ LYS 11 -5.870 2.413 -0.375
88 HZ3 LYS 11 3HZ LYS 11 -7.516 2.715 -0.081
89 H ASP 12 H ASP 12 -1.812 -0.354 -1.132
90 HA ASP 12 HA ASP 12 -1.450 -2.735 0.312
91 HB2 ASP 12 2HB ASP 12 -1.722 -2.362 -2.238
92 HB3 ASP 12 1HB ASP 12 0.034 -2.147 -2.242
93 H ILE 13 H ILE 13 1.084 -0.663 -1.130
94 HA ILE 13 HA ILE 13 3.178 -1.971 0.326
95 HB ILE 13 HB ILE 13 3.416 0.746 -0.956
96 HG12 ILE 13 2HG1 ILE 13 4.150 -0.998 -2.939
97 HG13 ILE 13 1HG1 ILE 13 2.796 -1.874 -2.219
98 HG21 ILE 13 1HG2 ILE 13 5.311 -0.285 0.348
99 HG22 ILE 13 2HG2 ILE 13 5.694 0.035 -1.344
100 HG23 ILE 13 3HG2 ILE 13 5.322 -1.607 -0.820
101 HD11 ILE 13 1HD1 ILE 13 1.577 0.449 -2.350
102 HD12 ILE 13 2HD1 ILE 13 1.720 -0.535 -3.806
103 HD13 ILE 13 3HD1 ILE 13 2.815 0.823 -3.549
104 H ALA 14 H ALA 14 1.578 1.197 0.595
105 HA ALA 14 HA ALA 14 3.052 2.218 2.735
106 HB1 ALA 14 1HB ALA 14 1.296 3.787 3.027
107 HB2 ALA 14 2HB ALA 14 0.094 2.679 2.367
108 HB3 ALA 14 3HB ALA 14 1.300 3.406 1.305
109 H GLY 15 H GLY 15 0.889 -0.416 2.659
110 HA2 GLY 15 2HA GLY 15 0.530 -0.333 5.599
111 HA3 GLY 15 1HA GLY 15 -0.512 -1.214 4.476
112 H HIS 16 H HIS 16 2.375 -1.756 3.185
113 HA HIS 16 HA HIS 16 2.609 -4.380 4.395
114 HB2 HIS 16 2HB HIS 16 2.873 -3.693 1.877
115 HB3 HIS 16 1HB HIS 16 4.524 -3.341 2.367
116 HD2 HIS 16 2HD HIS 16 6.048 -5.633 3.182
117 HE1 HIS 16 1HE HIS 16 3.181 -8.466 1.925
118 HE2 HIS 16 2HE HIS 16 5.568 -8.162 2.737
119 H LEU 17 H LEU 17 4.913 -1.723 3.765
120 HA LEU 17 HA LEU 17 7.026 -2.685 5.277
121 HB2 LEU 17 2HB LEU 17 7.793 -0.364 5.326
122 HB3 LEU 17 1HB LEU 17 7.183 -0.783 3.727
123 HG LEU 17 HG LEU 17 4.923 0.138 5.018
124 HD11 LEU 17 1HD1 LEU 17 7.271 1.862 5.854
125 HD12 LEU 17 2HD1 LEU 17 6.251 0.915 6.937
126 HD13 LEU 17 3HD1 LEU 17 5.571 2.284 6.057
127 HD21 LEU 17 1HD2 LEU 17 6.939 1.525 3.243
128 HD22 LEU 17 2HD2 LEU 17 5.408 2.278 3.689
129 HD23 LEU 17 3HD2 LEU 17 5.416 0.773 2.771
130 H ALA 18 H ALA 18 4.135 -0.953 6.276
131 HA ALA 18 HA ALA 18 4.917 -0.186 8.858
132 HB1 ALA 18 1HB ALA 18 2.438 -0.297 9.358
133 HB2 ALA 18 2HB ALA 18 2.216 -0.932 7.727
134 HB3 ALA 18 3HB ALA 18 2.878 0.686 7.962
135 H SER 19 H SER 19 3.327 -3.171 7.740
136 HA SER 19 HA SER 19 3.125 -4.405 10.263
137 HB2 SER 19 2HB SER 19 2.866 -5.211 7.444
138 HB3 SER 19 1HB SER 19 3.359 -6.509 8.525
139 HG SER 19 HG SER 19 1.037 -4.918 8.556
140 H LYS 20 H LYS 20 5.753 -4.154 7.966
141 HA LYS 20 HA LYS 20 7.401 -6.221 8.891
142 HB2 LYS 20 2HB LYS 20 7.683 -4.743 6.819
143 HB3 LYS 20 1HB LYS 20 8.439 -3.595 7.912
144 HG2 LYS 20 2HG LYS 20 10.266 -4.846 7.109
145 HG3 LYS 20 1HG LYS 20 9.918 -5.580 8.672
146 HD2 LYS 20 2HD LYS 20 8.890 -7.465 7.699
147 HD3 LYS 20 1HD LYS 20 8.638 -6.649 6.157
148 HE2 LYS 20 2HE LYS 20 11.417 -7.149 7.220
149 HE3 LYS 20 1HE LYS 20 10.556 -8.379 6.295
150 HZ1 LYS 20 1HZ LYS 20 11.870 -7.067 4.811
151 HZ2 LYS 20 2HZ LYS 20 11.209 -5.621 5.410
152 HZ3 LYS 20 3HZ LYS 20 10.237 -6.704 4.533
153 H VAL 21 H VAL 21 6.787 -3.021 10.151
154 HA VAL 21 HA VAL 21 9.015 -2.823 11.883
155 HB VAL 21 HB VAL 21 6.250 -1.609 12.096
156 HG11 VAL 21 1HG1 VAL 21 8.818 -1.132 13.621
157 HG12 VAL 21 2HG1 VAL 21 7.219 -1.488 14.273
158 HG13 VAL 21 3HG1 VAL 21 7.540 0.079 13.530
159 HG21 VAL 21 1HG2 VAL 21 8.890 -0.540 11.042
160 HG22 VAL 21 2HG2 VAL 21 7.397 0.389 11.175
161 HG23 VAL 21 3HG2 VAL 21 7.490 -0.976 10.062
162 H MET 22 H MET 22 5.676 -3.927 12.467
163 HA MET 22 HA MET 22 5.989 -4.578 15.182
164 HB2 MET 22 2HB MET 22 4.174 -5.873 13.130
165 HB3 MET 22 1HB MET 22 3.993 -5.977 14.887
166 HG2 MET 22 2HG MET 22 3.524 -3.648 15.079
167 HG3 MET 22 1HG MET 22 4.074 -3.328 13.428
168 HE1 MET 22 1HE MET 22 1.708 -2.127 14.409
169 HE2 MET 22 2HE MET 22 0.926 -3.339 15.420
170 HE3 MET 22 3HE MET 22 0.126 -2.776 13.956
171 H ASN 23 H ASN 23 5.839 -6.893 12.465
172 HA ASN 23 HA ASN 23 7.012 -8.995 14.021
173 HB2 ASN 23 2HB ASN 23 6.805 -8.923 11.012
174 HB3 ASN 23 1HB ASN 23 6.810 -10.333 12.072
175 HD21 ASN 23 1HD2 ASN 23 4.701 -9.223 10.099
176 HD22 ASN 23 2HD2 ASN 23 3.280 -9.167 11.025
177 HN1 NH2 24 HN1 NH2 24 8.719 -6.589 13.869
178 HN2 NH2 24 HN2 NH2 24 10.176 -7.091 13.120
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -11.219 -0.129 -11.493
2 H2 GLY 1 2HT GLY 1 -12.764 -0.105 -12.200
3 H3 GLY 1 3HT GLY 1 -12.460 0.785 -10.785
4 HA2 GLY 1 2HA GLY 1 -12.286 1.679 -13.395
5 HA3 GLY 1 1HA GLY 1 -11.785 2.539 -11.931
6 H VAL 2 H VAL 2 -9.843 3.400 -12.416
7 HA VAL 2 HA VAL 2 -7.651 1.565 -13.064
8 HB VAL 2 HB VAL 2 -8.033 4.124 -14.624
9 HG11 VAL 2 1HG1 VAL 2 -6.252 3.266 -15.988
10 HG12 VAL 2 2HG1 VAL 2 -6.321 1.692 -15.195
11 HG13 VAL 2 3HG1 VAL 2 -5.729 3.100 -14.312
12 HG21 VAL 2 1HG2 VAL 2 -8.648 2.572 -16.517
13 HG22 VAL 2 2HG2 VAL 2 -9.862 2.656 -15.239
14 HG23 VAL 2 3HG2 VAL 2 -8.776 1.269 -15.335
15 H VAL 3 H VAL 3 -8.499 4.989 -12.519
16 HA VAL 3 HA VAL 3 -5.969 5.681 -11.419
17 HB VAL 3 HB VAL 3 -8.566 7.093 -10.937
18 HG11 VAL 3 1HG1 VAL 3 -6.711 7.931 -9.616
19 HG12 VAL 3 2HG1 VAL 3 -7.039 9.080 -10.913
20 HG13 VAL 3 3HG1 VAL 3 -5.673 7.972 -11.040
21 HG21 VAL 3 1HG2 VAL 3 -8.057 8.361 -13.007
22 HG22 VAL 3 2HG2 VAL 3 -8.326 6.651 -13.344
23 HG23 VAL 3 3HG2 VAL 3 -6.684 7.294 -13.303
24 H ASP 4 H ASP 4 -9.043 4.657 -10.031
25 HA ASP 4 HA ASP 4 -8.475 5.163 -7.327
26 HB2 ASP 4 2HB ASP 4 -10.721 4.585 -8.162
27 HB3 ASP 4 1HB ASP 4 -10.162 2.944 -8.512
28 H ILE 5 H ILE 5 -7.797 2.347 -9.368
29 HA ILE 5 HA ILE 5 -6.788 0.670 -7.326
30 HB ILE 5 HB ILE 5 -6.055 0.706 -10.263
31 HG12 ILE 5 2HG1 ILE 5 -8.183 -0.921 -8.839
32 HG13 ILE 5 1HG1 ILE 5 -8.528 0.567 -9.729
33 HG21 ILE 5 1HG2 ILE 5 -5.635 -1.734 -9.816
34 HG22 ILE 5 2HG2 ILE 5 -5.854 -1.406 -8.097
35 HG23 ILE 5 3HG2 ILE 5 -4.519 -0.658 -8.974
36 HD11 ILE 5 1HD1 ILE 5 -7.663 -0.410 -11.785
37 HD12 ILE 5 2HD1 ILE 5 -8.876 -1.494 -11.106
38 HD13 ILE 5 3HD1 ILE 5 -7.162 -1.863 -10.922
39 H LEU 6 H LEU 6 -5.319 3.179 -9.303
40 HA LEU 6 HA LEU 6 -2.616 2.595 -8.633
41 HB2 LEU 6 2HB LEU 6 -3.683 4.146 -10.506
42 HB3 LEU 6 1HB LEU 6 -3.498 5.387 -9.270
43 HG LEU 6 HG LEU 6 -1.500 5.382 -10.636
44 HD11 LEU 6 1HD1 LEU 6 -1.347 5.540 -8.076
45 HD12 LEU 6 2HD1 LEU 6 0.144 5.167 -8.942
46 HD13 LEU 6 3HD1 LEU 6 -0.745 3.881 -8.126
47 HD21 LEU 6 1HD2 LEU 6 -0.394 3.504 -11.366
48 HD22 LEU 6 2HD2 LEU 6 -1.974 2.763 -11.122
49 HD23 LEU 6 3HD2 LEU 6 -0.723 2.600 -9.890
50 H LYS 7 H LYS 7 -4.843 5.128 -7.452
51 HA LYS 7 HA LYS 7 -3.164 6.089 -5.419
52 HB2 LYS 7 2HB LYS 7 -5.416 6.981 -6.466
53 HB3 LYS 7 1HB LYS 7 -6.099 6.129 -5.101
54 HG2 LYS 7 2HG LYS 7 -3.860 8.140 -4.813
55 HG3 LYS 7 1HG LYS 7 -5.560 8.580 -4.693
56 HD2 LYS 7 2HD LYS 7 -5.441 8.052 -2.499
57 HD3 LYS 7 1HD LYS 7 -5.322 6.366 -2.989
58 HE2 LYS 7 2HE LYS 7 -3.422 6.680 -1.627
59 HE3 LYS 7 1HE LYS 7 -2.782 6.845 -3.260
60 HZ1 LYS 7 1HZ LYS 7 -1.989 8.776 -2.508
61 HZ2 LYS 7 2HZ LYS 7 -3.041 8.818 -1.175
62 HZ3 LYS 7 3HZ LYS 7 -3.572 9.353 -2.698
63 H GLY 8 H GLY 8 -5.491 3.467 -5.526
64 HA2 GLY 8 2HA GLY 8 -5.464 2.953 -2.708
65 HA3 GLY 8 1HA GLY 8 -6.126 1.897 -3.959
66 H ALA 9 H ALA 9 -3.712 1.717 -5.515
67 HA ALA 9 HA ALA 9 -2.486 -0.502 -4.281
68 HB1 ALA 9 1HB ALA 9 -1.559 1.246 -6.570
69 HB2 ALA 9 2HB ALA 9 -2.454 -0.270 -6.686
70 HB3 ALA 9 3HB ALA 9 -0.789 -0.272 -6.106
71 H ALA 10 H ALA 10 -1.743 2.916 -4.238
72 HA ALA 10 HA ALA 10 0.921 2.832 -3.370
73 HB1 ALA 10 1HB ALA 10 -0.318 4.880 -4.107
74 HB2 ALA 10 2HB ALA 10 0.584 5.096 -2.608
75 HB3 ALA 10 3HB ALA 10 -1.163 4.868 -2.560
76 H LYS 11 H LYS 11 -2.057 2.221 -1.665
77 HA LYS 11 HA LYS 11 -1.093 2.589 0.978
78 HB2 LYS 11 2HB LYS 11 -3.126 1.720 1.680
79 HB3 LYS 11 1HB LYS 11 -3.538 2.278 0.059
80 HG2 LYS 11 2HG LYS 11 -2.862 -0.120 -0.698
81 HG3 LYS 11 1HG LYS 11 -3.029 -0.539 1.012
82 HD2 LYS 11 2HD LYS 11 -5.339 0.267 1.017
83 HD3 LYS 11 1HD LYS 11 -5.186 0.787 -0.661
84 HE2 LYS 11 2HE LYS 11 -4.566 -1.664 -1.175
85 HE3 LYS 11 1HE LYS 11 -5.201 -2.028 0.430
86 HZ1 LYS 11 1HZ LYS 11 -7.276 -0.886 -0.249
87 HZ2 LYS 11 2HZ LYS 11 -6.946 -2.290 -1.148
88 HZ3 LYS 11 3HZ LYS 11 -6.656 -0.759 -1.824
89 H ASP 12 H ASP 12 -0.814 -0.010 -1.323
90 HA ASP 12 HA ASP 12 -0.242 -2.160 0.372
91 HB2 ASP 12 2HB ASP 12 -0.585 -2.266 -2.119
92 HB3 ASP 12 1HB ASP 12 1.058 -1.637 -2.308
93 H ILE 13 H ILE 13 2.118 -0.075 -1.319
94 HA ILE 13 HA ILE 13 4.391 -1.040 0.013
95 HB ILE 13 HB ILE 13 3.909 1.711 -1.162
96 HG12 ILE 13 2HG1 ILE 13 5.524 0.313 -2.903
97 HG13 ILE 13 1HG1 ILE 13 4.460 -0.968 -2.314
98 HG21 ILE 13 1HG2 ILE 13 6.398 0.245 -0.265
99 HG22 ILE 13 2HG2 ILE 13 5.836 1.842 0.233
100 HG23 ILE 13 3HG2 ILE 13 6.456 1.595 -1.399
101 HD11 ILE 13 1HD1 ILE 13 2.540 0.734 -2.786
102 HD12 ILE 13 2HD1 ILE 13 3.278 -0.100 -4.152
103 HD13 ILE 13 3HD1 ILE 13 3.735 1.563 -3.782
104 H ALA 14 H ALA 14 2.421 1.854 0.693
105 HA ALA 14 HA ALA 14 3.855 2.662 2.989
106 HB1 ALA 14 1HB ALA 14 1.934 4.078 3.466
107 HB2 ALA 14 2HB ALA 14 0.936 3.148 2.348
108 HB3 ALA 14 3HB ALA 14 2.277 4.117 1.737
109 H GLY 15 H GLY 15 1.403 0.249 2.476
110 HA2 GLY 15 2HA GLY 15 0.953 -0.086 5.362
111 HA3 GLY 15 1HA GLY 15 0.054 -0.881 4.064
112 H HIS 16 H HIS 16 3.236 -1.051 3.221
113 HA HIS 16 HA HIS 16 3.395 -3.853 3.933
114 HB2 HIS 16 2HB HIS 16 4.178 -2.663 1.734
115 HB3 HIS 16 1HB HIS 16 5.636 -2.355 2.668
116 HD2 HIS 16 2HD HIS 16 4.150 -5.182 0.592
117 HE1 HIS 16 1HE HIS 16 7.092 -6.975 3.032
118 HE2 HIS 16 2HE HIS 16 5.562 -7.333 1.037
119 H LEU 17 H LEU 17 5.451 -0.990 4.492
120 HA LEU 17 HA LEU 17 7.275 -2.197 6.224
121 HB2 LEU 17 2HB LEU 17 7.766 0.104 6.947
122 HB3 LEU 17 1HB LEU 17 7.658 -0.017 5.192
123 HG LEU 17 HG LEU 17 5.051 0.525 5.931
124 HD11 LEU 17 1HD1 LEU 17 6.843 2.286 7.619
125 HD12 LEU 17 2HD1 LEU 17 5.890 0.951 8.267
126 HD13 LEU 17 3HD1 LEU 17 5.083 2.334 7.530
127 HD21 LEU 17 1HD2 LEU 17 6.251 1.561 4.064
128 HD22 LEU 17 2HD2 LEU 17 7.263 2.465 5.192
129 HD23 LEU 17 3HD2 LEU 17 5.539 2.817 5.079
130 H ALA 18 H ALA 18 4.121 -0.737 6.829
131 HA ALA 18 HA ALA 18 4.181 -0.520 9.601
132 HB1 ALA 18 1HB ALA 18 2.322 0.342 8.295
133 HB2 ALA 18 2HB ALA 18 1.711 -0.802 9.489
134 HB3 ALA 18 3HB ALA 18 1.872 -1.290 7.802
135 H SER 19 H SER 19 3.121 -3.309 7.644
136 HA SER 19 HA SER 19 2.605 -5.023 9.824
137 HB2 SER 19 2HB SER 19 2.817 -5.256 6.906
138 HB3 SER 19 1HB SER 19 3.283 -6.719 7.767
139 HG SER 19 HG SER 19 0.900 -5.241 8.226
140 H LYS 20 H LYS 20 5.534 -4.187 8.112
141 HA LYS 20 HA LYS 20 7.172 -6.329 8.870
142 HB2 LYS 20 2HB LYS 20 7.623 -4.361 7.241
143 HB3 LYS 20 1HB LYS 20 8.202 -3.536 8.680
144 HG2 LYS 20 2HG LYS 20 10.174 -4.535 7.973
145 HG3 LYS 20 1HG LYS 20 9.555 -5.785 9.051
146 HD2 LYS 20 2HD LYS 20 8.567 -6.973 7.143
147 HD3 LYS 20 1HD LYS 20 9.112 -5.701 6.050
148 HE2 LYS 20 2HE LYS 20 11.463 -6.181 6.705
149 HE3 LYS 20 1HE LYS 20 10.888 -7.502 7.721
150 HZ1 LYS 20 1HZ LYS 20 10.928 -7.289 4.794
151 HZ2 LYS 20 2HZ LYS 20 9.721 -8.231 5.531
152 HZ3 LYS 20 3HZ LYS 20 11.360 -8.597 5.786
153 H VAL 21 H VAL 21 6.279 -3.378 10.572
154 HA VAL 21 HA VAL 21 8.127 -3.582 12.698
155 HB VAL 21 HB VAL 21 5.348 -2.383 12.757
156 HG11 VAL 21 1HG1 VAL 21 6.432 -0.916 14.498
157 HG12 VAL 21 2HG1 VAL 21 7.831 -1.990 14.448
158 HG13 VAL 21 3HG1 VAL 21 6.267 -2.604 14.983
159 HG21 VAL 21 1HG2 VAL 21 8.033 -1.264 11.904
160 HG22 VAL 21 2HG2 VAL 21 6.625 -0.260 12.247
161 HG23 VAL 21 3HG2 VAL 21 6.580 -1.415 10.915
162 H MET 22 H MET 22 4.861 -4.880 12.259
163 HA MET 22 HA MET 22 4.761 -6.042 14.896
164 HB2 MET 22 2HB MET 22 3.021 -6.694 12.506
165 HB3 MET 22 1HB MET 22 2.645 -6.959 14.215
166 HG2 MET 22 2HG MET 22 2.681 -4.531 14.615
167 HG3 MET 22 1HG MET 22 3.091 -4.250 12.916
168 HE1 MET 22 1HE MET 22 1.028 -3.288 11.460
169 HE2 MET 22 2HE MET 22 1.328 -2.613 13.059
170 HE3 MET 22 3HE MET 22 -0.325 -2.937 12.544
171 H ASN 23 H ASN 23 5.047 -7.359 11.591
172 HA ASN 23 HA ASN 23 5.266 -10.043 12.136
173 HB2 ASN 23 2HB ASN 23 6.872 -8.456 10.119
174 HB3 ASN 23 1HB ASN 23 6.663 -10.207 10.102
175 HD21 ASN 23 1HD2 ASN 23 5.689 -9.471 7.849
176 HD22 ASN 23 2HD2 ASN 23 4.022 -9.154 7.845
177 HN1 NH2 24 HN1 NH2 24 8.021 -7.710 12.151
178 HN2 NH2 24 HN2 NH2 24 9.037 -8.708 13.104
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -10.765 4.510 -11.771
2 H2 GLY 1 2HT GLY 1 -12.252 4.342 -12.578
3 H3 GLY 1 3HT GLY 1 -11.450 5.840 -12.572
4 HA2 GLY 1 2HA GLY 1 -11.180 3.686 -14.383
5 HA3 GLY 1 1HA GLY 1 -10.468 5.305 -14.466
6 H VAL 2 H VAL 2 -8.506 5.687 -13.175
7 HA VAL 2 HA VAL 2 -6.894 3.225 -12.826
8 HB VAL 2 HB VAL 2 -5.996 5.936 -13.834
9 HG11 VAL 2 1HG1 VAL 2 -4.205 5.003 -12.555
10 HG12 VAL 2 2HG1 VAL 2 -3.843 4.613 -14.237
11 HG13 VAL 2 3HG1 VAL 2 -4.518 3.381 -13.171
12 HG21 VAL 2 1HG2 VAL 2 -6.144 3.231 -15.206
13 HG22 VAL 2 2HG2 VAL 2 -5.573 4.733 -15.932
14 HG23 VAL 2 3HG2 VAL 2 -7.269 4.564 -15.476
15 H VAL 3 H VAL 3 -7.856 6.327 -11.583
16 HA VAL 3 HA VAL 3 -5.892 6.635 -9.577
17 HB VAL 3 HB VAL 3 -8.703 7.574 -9.238
18 HG11 VAL 3 1HG1 VAL 3 -6.076 8.996 -8.787
19 HG12 VAL 3 2HG1 VAL 3 -6.843 7.998 -7.552
20 HG13 VAL 3 3HG1 VAL 3 -7.663 9.438 -8.156
21 HG21 VAL 3 1HG2 VAL 3 -6.651 8.524 -11.239
22 HG22 VAL 3 2HG2 VAL 3 -7.955 9.564 -10.669
23 HG23 VAL 3 3HG2 VAL 3 -8.329 8.077 -11.539
24 H ASP 4 H ASP 4 -9.180 5.279 -9.428
25 HA ASP 4 HA ASP 4 -9.246 4.577 -6.745
26 HB2 ASP 4 2HB ASP 4 -11.188 4.400 -8.242
27 HB3 ASP 4 1HB ASP 4 -10.419 3.045 -9.080
28 H ILE 5 H ILE 5 -7.744 2.905 -9.462
29 HA ILE 5 HA ILE 5 -7.067 0.557 -7.936
30 HB ILE 5 HB ILE 5 -5.834 1.468 -10.542
31 HG12 ILE 5 2HG1 ILE 5 -8.355 -0.169 -10.104
32 HG13 ILE 5 1HG1 ILE 5 -8.324 1.505 -10.666
33 HG21 ILE 5 1HG2 ILE 5 -5.495 -0.936 -10.869
34 HG22 ILE 5 2HG2 ILE 5 -6.320 -1.279 -9.349
35 HG23 ILE 5 3HG2 ILE 5 -4.771 -0.438 -9.341
36 HD11 ILE 5 1HD1 ILE 5 -8.507 0.086 -12.613
37 HD12 ILE 5 2HD1 ILE 5 -7.159 -0.914 -12.069
38 HD13 ILE 5 3HD1 ILE 5 -6.872 0.748 -12.585
39 H LEU 6 H LEU 6 -5.080 3.134 -9.417
40 HA LEU 6 HA LEU 6 -2.630 2.506 -8.360
41 HB2 LEU 6 2HB LEU 6 -3.505 4.542 -9.856
42 HB3 LEU 6 1HB LEU 6 -3.413 5.390 -8.316
43 HG LEU 6 HG LEU 6 -1.295 5.663 -9.454
44 HD11 LEU 6 1HD1 LEU 6 -0.765 3.503 -7.417
45 HD12 LEU 6 2HD1 LEU 6 -1.406 5.074 -6.935
46 HD13 LEU 6 3HD1 LEU 6 0.161 4.969 -7.736
47 HD21 LEU 6 1HD2 LEU 6 -1.776 3.294 -10.674
48 HD22 LEU 6 2HD2 LEU 6 -0.641 2.754 -9.436
49 HD23 LEU 6 3HD2 LEU 6 -0.168 4.009 -10.579
50 H LYS 7 H LYS 7 -5.220 4.365 -6.794
51 HA LYS 7 HA LYS 7 -3.844 4.990 -4.430
52 HB2 LYS 7 2HB LYS 7 -6.162 5.767 -5.403
53 HB3 LYS 7 1HB LYS 7 -6.750 4.458 -4.402
54 HG2 LYS 7 2HG LYS 7 -4.929 6.623 -3.338
55 HG3 LYS 7 1HG LYS 7 -6.683 6.746 -3.285
56 HD2 LYS 7 2HD LYS 7 -6.591 5.639 -1.313
57 HD3 LYS 7 1HD LYS 7 -6.175 4.200 -2.236
58 HE2 LYS 7 2HE LYS 7 -4.429 4.370 -0.662
59 HE3 LYS 7 1HE LYS 7 -3.735 5.089 -2.115
60 HZ1 LYS 7 1HZ LYS 7 -4.540 6.350 0.379
61 HZ2 LYS 7 2HZ LYS 7 -4.864 7.222 -1.042
62 HZ3 LYS 7 3HZ LYS 7 -3.274 6.745 -0.678
63 H GLY 8 H GLY 8 -6.051 2.309 -5.183
64 HA2 GLY 8 2HA GLY 8 -5.831 1.027 -2.668
65 HA3 GLY 8 1HA GLY 8 -6.391 0.275 -4.165
66 H ALA 9 H ALA 9 -3.813 1.044 -5.507
67 HA ALA 9 HA ALA 9 -2.382 -1.371 -4.896
68 HB1 ALA 9 1HB ALA 9 -2.583 -0.293 -7.186
69 HB2 ALA 9 2HB ALA 9 -0.956 -0.785 -6.717
70 HB3 ALA 9 3HB ALA 9 -1.425 0.913 -6.624
71 H ALA 10 H ALA 10 -2.058 2.012 -4.072
72 HA ALA 10 HA ALA 10 0.633 1.985 -3.210
73 HB1 ALA 10 1HB ALA 10 -0.762 4.031 -3.637
74 HB2 ALA 10 2HB ALA 10 0.132 4.068 -2.118
75 HB3 ALA 10 3HB ALA 10 -1.595 3.711 -2.117
76 H LYS 11 H LYS 11 -2.406 1.556 -1.391
77 HA LYS 11 HA LYS 11 -1.399 1.318 1.165
78 HB2 LYS 11 2HB LYS 11 -3.438 0.389 1.755
79 HB3 LYS 11 1HB LYS 11 -3.855 1.146 0.219
80 HG2 LYS 11 2HG LYS 11 -3.189 -1.142 -0.834
81 HG3 LYS 11 1HG LYS 11 -3.359 -1.769 0.812
82 HD2 LYS 11 2HD LYS 11 -5.493 -0.304 -0.773
83 HD3 LYS 11 1HD LYS 11 -5.475 -2.027 -0.397
84 HE2 LYS 11 2HE LYS 11 -6.868 -1.180 1.282
85 HE3 LYS 11 1HE LYS 11 -5.302 -1.213 2.091
86 HZ1 LYS 11 1HZ LYS 11 -6.943 0.980 1.680
87 HZ2 LYS 11 2HZ LYS 11 -5.603 1.203 0.659
88 HZ3 LYS 11 3HZ LYS 11 -5.376 0.974 2.327
89 H ASP 12 H ASP 12 -1.148 -0.932 -1.480
90 HA ASP 12 HA ASP 12 -0.583 -3.302 -0.099
91 HB2 ASP 12 2HB ASP 12 -0.952 -3.075 -2.574
92 HB3 ASP 12 1HB ASP 12 0.685 -2.418 -2.700
93 H ILE 13 H ILE 13 1.775 -1.013 -1.507
94 HA ILE 13 HA ILE 13 3.998 -2.197 -0.167
95 HB ILE 13 HB ILE 13 3.728 0.535 -1.447
96 HG12 ILE 13 2HG1 ILE 13 5.270 -1.031 -3.110
97 HG13 ILE 13 1HG1 ILE 13 4.110 -2.214 -2.498
98 HG21 ILE 13 1HG2 ILE 13 5.632 0.550 0.006
99 HG22 ILE 13 2HG2 ILE 13 6.255 0.266 -1.619
100 HG23 ILE 13 3HG2 ILE 13 6.102 -1.077 -0.486
101 HD11 ILE 13 1HD1 ILE 13 3.495 0.399 -3.905
102 HD12 ILE 13 2HD1 ILE 13 2.271 -0.591 -3.113
103 HD13 ILE 13 3HD1 ILE 13 3.166 -1.231 -4.489
104 H ALA 14 H ALA 14 2.197 0.836 0.356
105 HA ALA 14 HA ALA 14 3.612 1.714 2.609
106 HB1 ALA 14 1HB ALA 14 2.130 3.243 1.533
107 HB2 ALA 14 2HB ALA 14 1.462 2.957 3.140
108 HB3 ALA 14 3HB ALA 14 0.755 2.157 1.736
109 H GLY 15 H GLY 15 1.038 -0.643 2.274
110 HA2 GLY 15 2HA GLY 15 0.683 -0.882 5.164
111 HA3 GLY 15 1HA GLY 15 -0.204 -1.767 3.918
112 H HIS 16 H HIS 16 2.834 -2.055 2.889
113 HA HIS 16 HA HIS 16 3.122 -4.723 3.988
114 HB2 HIS 16 2HB HIS 16 3.507 -4.391 1.615
115 HB3 HIS 16 1HB HIS 16 4.766 -3.220 1.977
116 HD2 HIS 16 2HD HIS 16 7.271 -4.331 2.516
117 HE1 HIS 16 1HE HIS 16 6.047 -8.370 2.634
118 HE2 HIS 16 2HE HIS 16 8.055 -6.817 2.685
119 H LEU 17 H LEU 17 5.453 -2.058 3.550
120 HA LEU 17 HA LEU 17 7.372 -2.972 5.328
121 HB2 LEU 17 2HB LEU 17 8.157 -0.646 5.363
122 HB3 LEU 17 1HB LEU 17 7.751 -1.157 3.726
123 HG LEU 17 HG LEU 17 5.354 -0.157 4.661
124 HD11 LEU 17 1HD1 LEU 17 6.693 0.686 6.670
125 HD12 LEU 17 2HD1 LEU 17 5.738 1.893 5.811
126 HD13 LEU 17 3HD1 LEU 17 7.479 1.796 5.549
127 HD21 LEU 17 1HD2 LEU 17 7.588 1.178 3.113
128 HD22 LEU 17 2HD2 LEU 17 5.973 1.870 3.262
129 HD23 LEU 17 3HD2 LEU 17 6.197 0.316 2.457
130 H ALA 18 H ALA 18 4.446 -1.103 5.922
131 HA ALA 18 HA ALA 18 4.941 -0.220 8.521
132 HB1 ALA 18 1HB ALA 18 2.950 0.332 7.034
133 HB2 ALA 18 2HB ALA 18 2.585 0.058 8.737
134 HB3 ALA 18 3HB ALA 18 2.256 -1.204 7.551
135 H SER 19 H SER 19 3.681 -3.332 7.381
136 HA SER 19 HA SER 19 3.102 -4.428 9.913
137 HB2 SER 19 2HB SER 19 3.375 -5.411 7.151
138 HB3 SER 19 1HB SER 19 3.726 -6.612 8.390
139 HG SER 19 HG SER 19 1.599 -5.272 9.180
140 H LYS 20 H LYS 20 6.055 -4.281 8.001
141 HA LYS 20 HA LYS 20 7.599 -6.139 9.426
142 HB2 LYS 20 2HB LYS 20 8.110 -4.865 7.223
143 HB3 LYS 20 1HB LYS 20 8.768 -3.637 8.294
144 HG2 LYS 20 2HG LYS 20 10.665 -4.933 7.945
145 HG3 LYS 20 1HG LYS 20 10.015 -5.699 9.394
146 HD2 LYS 20 2HD LYS 20 8.915 -7.412 8.029
147 HD3 LYS 20 1HD LYS 20 9.479 -6.625 6.554
148 HE2 LYS 20 2HE LYS 20 11.380 -7.582 8.701
149 HE3 LYS 20 1HE LYS 20 10.870 -8.611 7.363
150 HZ1 LYS 20 1HZ LYS 20 12.817 -6.575 7.377
151 HZ2 LYS 20 2HZ LYS 20 11.593 -6.164 6.275
152 HZ3 LYS 20 3HZ LYS 20 12.411 -7.646 6.127
153 H VAL 21 H VAL 21 6.586 -2.921 10.216
154 HA VAL 21 HA VAL 21 8.564 -2.561 12.311
155 HB VAL 21 HB VAL 21 6.087 -0.953 11.640
156 HG11 VAL 21 1HG1 VAL 21 6.712 -0.491 13.903
157 HG12 VAL 21 2HG1 VAL 21 7.395 0.817 12.936
158 HG13 VAL 21 3HG1 VAL 21 8.429 -0.496 13.502
159 HG21 VAL 21 1HG2 VAL 21 9.012 -0.535 10.942
160 HG22 VAL 21 2HG2 VAL 21 7.702 0.585 10.570
161 HG23 VAL 21 3HG2 VAL 21 7.745 -1.006 9.809
162 H MET 22 H MET 22 5.128 -3.366 12.049
163 HA MET 22 HA MET 22 4.689 -3.415 14.888
164 HB2 MET 22 2HB MET 22 3.043 -4.669 12.674
165 HB3 MET 22 1HB MET 22 2.509 -4.340 14.330
166 HG2 MET 22 2HG MET 22 3.037 -1.897 13.905
167 HG3 MET 22 1HG MET 22 3.270 -2.319 12.202
168 HE1 MET 22 1HE MET 22 -0.121 -0.461 12.248
169 HE2 MET 22 2HE MET 22 1.295 -0.763 11.244
170 HE3 MET 22 3HE MET 22 1.502 -0.170 12.890
171 H ASN 23 H ASN 23 4.854 -5.980 12.406
172 HA ASN 23 HA ASN 23 4.844 -8.120 14.270
173 HB2 ASN 23 2HB ASN 23 6.026 -8.193 11.493
174 HB3 ASN 23 1HB ASN 23 5.336 -9.531 12.410
175 HD21 ASN 23 1HD2 ASN 23 4.473 -8.409 9.736
176 HD22 ASN 23 2HD2 ASN 23 2.839 -7.998 9.941
177 HN1 NH2 24 HN1 NH2 24 7.165 -5.811 14.041
178 HN2 NH2 24 HN2 NH2 24 8.547 -6.744 14.433
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -10.582 2.396 -11.513
2 H2 GLY 1 2HT GLY 1 -12.109 1.659 -11.621
3 H3 GLY 1 3HT GLY 1 -11.882 3.238 -12.205
4 HA2 GLY 1 2HA GLY 1 -11.296 0.693 -13.453
5 HA3 GLY 1 1HA GLY 1 -11.661 2.260 -14.193
6 H VAL 2 H VAL 2 -9.618 3.631 -12.558
7 HA VAL 2 HA VAL 2 -7.099 2.466 -13.508
8 HB VAL 2 HB VAL 2 -7.825 5.324 -14.164
9 HG11 VAL 2 1HG1 VAL 2 -5.709 3.529 -15.366
10 HG12 VAL 2 2HG1 VAL 2 -5.398 4.533 -13.950
11 HG13 VAL 2 3HG1 VAL 2 -5.839 5.283 -15.482
12 HG21 VAL 2 1HG2 VAL 2 -9.339 3.912 -15.432
13 HG22 VAL 2 2HG2 VAL 2 -8.023 2.822 -15.870
14 HG23 VAL 2 3HG2 VAL 2 -8.063 4.462 -16.519
15 H VAL 3 H VAL 3 -8.021 5.719 -12.403
16 HA VAL 3 HA VAL 3 -5.886 6.095 -10.678
17 HB VAL 3 HB VAL 3 -8.668 7.203 -10.500
18 HG11 VAL 3 1HG1 VAL 3 -7.670 7.549 -8.362
19 HG12 VAL 3 2HG1 VAL 3 -7.439 9.061 -9.241
20 HG13 VAL 3 3HG1 VAL 3 -6.103 7.920 -9.080
21 HG21 VAL 3 1HG2 VAL 3 -7.793 9.072 -11.733
22 HG22 VAL 3 2HG2 VAL 3 -7.311 7.617 -12.603
23 HG23 VAL 3 3HG2 VAL 3 -6.144 8.464 -11.588
24 H ASP 4 H ASP 4 -9.010 4.579 -10.073
25 HA ASP 4 HA ASP 4 -8.859 4.355 -7.283
26 HB2 ASP 4 2HB ASP 4 -10.898 3.867 -8.577
27 HB3 ASP 4 1HB ASP 4 -10.118 2.432 -9.257
28 H ILE 5 H ILE 5 -7.457 2.389 -9.847
29 HA ILE 5 HA ILE 5 -6.576 0.271 -8.131
30 HB ILE 5 HB ILE 5 -5.507 1.055 -10.853
31 HG12 ILE 5 2HG1 ILE 5 -7.733 -0.887 -10.152
32 HG13 ILE 5 1HG1 ILE 5 -8.000 0.739 -10.789
33 HG21 ILE 5 1HG2 ILE 5 -4.916 -1.346 -10.965
34 HG22 ILE 5 2HG2 ILE 5 -5.528 -1.568 -9.325
35 HG23 ILE 5 3HG2 ILE 5 -4.114 -0.552 -9.609
36 HD11 ILE 5 1HD1 ILE 5 -6.524 0.093 -12.752
37 HD12 ILE 5 2HD1 ILE 5 -8.067 -0.757 -12.668
38 HD13 ILE 5 3HD1 ILE 5 -6.586 -1.566 -12.153
39 H LEU 6 H LEU 6 -5.071 3.181 -9.483
40 HA LEU 6 HA LEU 6 -2.464 2.674 -8.480
41 HB2 LEU 6 2HB LEU 6 -3.448 4.451 -10.241
42 HB3 LEU 6 1HB LEU 6 -3.397 5.488 -8.819
43 HG LEU 6 HG LEU 6 -1.295 5.707 -10.007
44 HD11 LEU 6 1HD1 LEU 6 -1.393 5.453 -7.425
45 HD12 LEU 6 2HD1 LEU 6 0.181 5.349 -8.214
46 HD13 LEU 6 3HD1 LEU 6 -0.646 3.879 -7.702
47 HD21 LEU 6 1HD2 LEU 6 -0.105 3.972 -10.917
48 HD22 LEU 6 2HD2 LEU 6 -1.665 3.155 -10.865
49 HD23 LEU 6 3HD2 LEU 6 -0.479 2.874 -9.590
50 H LYS 7 H LYS 7 -5.314 4.257 -7.153
51 HA LYS 7 HA LYS 7 -4.074 5.437 -4.909
52 HB2 LYS 7 2HB LYS 7 -6.475 5.703 -5.967
53 HB3 LYS 7 1HB LYS 7 -6.863 4.474 -4.784
54 HG2 LYS 7 2HG LYS 7 -5.408 7.023 -4.058
55 HG3 LYS 7 1HG LYS 7 -7.161 6.880 -4.003
56 HD2 LYS 7 2HD LYS 7 -6.922 6.089 -1.897
57 HD3 LYS 7 1HD LYS 7 -6.276 4.616 -2.613
58 HE2 LYS 7 2HE LYS 7 -4.598 5.278 -1.094
59 HE3 LYS 7 1HE LYS 7 -4.005 5.877 -2.641
60 HZ1 LYS 7 1HZ LYS 7 -3.924 7.865 -1.693
61 HZ2 LYS 7 2HZ LYS 7 -4.767 7.333 -0.316
62 HZ3 LYS 7 3HZ LYS 7 -5.620 7.870 -1.683
63 H GLY 8 H GLY 8 -5.798 2.359 -5.318
64 HA2 GLY 8 2HA GLY 8 -5.474 1.457 -2.660
65 HA3 GLY 8 1HA GLY 8 -5.814 0.435 -4.060
66 H ALA 9 H ALA 9 -3.301 1.613 -5.341
67 HA ALA 9 HA ALA 9 -1.520 -0.467 -4.471
68 HB1 ALA 9 1HB ALA 9 -1.076 1.842 -6.377
69 HB2 ALA 9 2HB ALA 9 -1.601 0.217 -6.819
70 HB3 ALA 9 3HB ALA 9 0.015 0.474 -6.161
71 H ALA 10 H ALA 10 -1.856 2.966 -3.866
72 HA ALA 10 HA ALA 10 0.721 3.495 -2.856
73 HB1 ALA 10 1HB ALA 10 -0.764 5.314 -3.403
74 HB2 ALA 10 2HB ALA 10 -0.399 5.403 -1.680
75 HB3 ALA 10 3HB ALA 10 -1.950 4.762 -2.221
76 H LYS 11 H LYS 11 -2.288 2.884 -1.015
77 HA LYS 11 HA LYS 11 -1.111 2.748 1.511
78 HB2 LYS 11 2HB LYS 11 -3.131 1.714 2.261
79 HB3 LYS 11 1HB LYS 11 -3.583 2.843 0.984
80 HG2 LYS 11 2HG LYS 11 -3.406 0.865 -0.629
81 HG3 LYS 11 1HG LYS 11 -3.345 -0.166 0.807
82 HD2 LYS 11 2HD LYS 11 -5.489 0.918 1.575
83 HD3 LYS 11 1HD LYS 11 -5.574 1.729 0.010
84 HE2 LYS 11 2HE LYS 11 -6.903 -0.254 -0.194
85 HE3 LYS 11 1HE LYS 11 -5.399 -0.575 -1.058
86 HZ1 LYS 11 1HZ LYS 11 -5.672 -1.283 1.789
87 HZ2 LYS 11 2HZ LYS 11 -4.618 -1.929 0.624
88 HZ3 LYS 11 3HZ LYS 11 -6.271 -2.319 0.587
89 H ASP 12 H ASP 12 -1.097 0.443 -1.075
90 HA ASP 12 HA ASP 12 -0.716 -1.959 0.277
91 HB2 ASP 12 2HB ASP 12 -0.923 -1.522 -2.252
92 HB3 ASP 12 1HB ASP 12 0.824 -1.248 -2.214
93 H ILE 13 H ILE 13 1.861 0.184 -0.983
94 HA ILE 13 HA ILE 13 3.952 -1.193 0.361
95 HB ILE 13 HB ILE 13 3.880 1.639 -0.711
96 HG12 ILE 13 2HG1 ILE 13 5.411 0.137 -2.431
97 HG13 ILE 13 1HG1 ILE 13 4.188 -1.043 -1.950
98 HG21 ILE 13 1HG2 ILE 13 5.718 1.466 0.801
99 HG22 ILE 13 2HG2 ILE 13 6.401 1.228 -0.808
100 HG23 ILE 13 3HG2 ILE 13 6.117 -0.158 0.245
101 HD11 ILE 13 1HD1 ILE 13 3.822 1.594 -3.356
102 HD12 ILE 13 2HD1 ILE 13 2.495 0.895 -2.430
103 HD13 ILE 13 3HD1 ILE 13 3.184 0.008 -3.790
104 H ALA 14 H ALA 14 2.386 1.944 1.043
105 HA ALA 14 HA ALA 14 3.734 2.546 3.405
106 HB1 ALA 14 1HB ALA 14 2.196 4.082 2.167
107 HB2 ALA 14 2HB ALA 14 1.899 4.042 3.904
108 HB3 ALA 14 3HB ALA 14 0.833 3.166 2.807
109 H GLY 15 H GLY 15 1.073 0.345 2.817
110 HA2 GLY 15 2HA GLY 15 0.651 -0.107 5.683
111 HA3 GLY 15 1HA GLY 15 -0.296 -0.797 4.362
112 H HIS 16 H HIS 16 2.607 -1.301 3.194
113 HA HIS 16 HA HIS 16 2.696 -4.054 4.012
114 HB2 HIS 16 2HB HIS 16 3.235 -3.499 1.730
115 HB3 HIS 16 1HB HIS 16 4.519 -2.429 2.272
116 HD2 HIS 16 2HD HIS 16 6.353 -4.239 0.870
117 HE1 HIS 16 1HE HIS 16 6.030 -7.266 3.795
118 HE2 HIS 16 2HE HIS 16 7.352 -6.475 1.777
119 H LEU 17 H LEU 17 5.127 -1.443 4.157
120 HA LEU 17 HA LEU 17 6.941 -2.764 5.805
121 HB2 LEU 17 2HB LEU 17 7.794 -0.498 6.298
122 HB3 LEU 17 1HB LEU 17 7.517 -0.743 4.577
123 HG LEU 17 HG LEU 17 5.080 0.213 5.445
124 HD11 LEU 17 1HD1 LEU 17 7.159 1.924 6.808
125 HD12 LEU 17 2HD1 LEU 17 6.270 0.671 7.672
126 HD13 LEU 17 3HD1 LEU 17 5.404 2.024 6.947
127 HD21 LEU 17 1HD2 LEU 17 5.864 2.388 4.427
128 HD22 LEU 17 2HD2 LEU 17 6.174 0.970 3.425
129 HD23 LEU 17 3HD2 LEU 17 7.485 1.698 4.355
130 H ALA 18 H ALA 18 4.142 -0.754 6.612
131 HA ALA 18 HA ALA 18 4.515 -0.384 9.325
132 HB1 ALA 18 1HB ALA 18 2.649 0.660 8.253
133 HB2 ALA 18 2HB ALA 18 1.986 -0.438 9.463
134 HB3 ALA 18 3HB ALA 18 1.982 -0.896 7.759
135 H SER 19 H SER 19 3.038 -3.183 7.693
136 HA SER 19 HA SER 19 2.510 -4.630 10.075
137 HB2 SER 19 2HB SER 19 2.414 -5.140 7.169
138 HB3 SER 19 1HB SER 19 2.673 -6.564 8.169
139 HG SER 19 HG SER 19 0.510 -6.320 8.128
140 H LYS 20 H LYS 20 5.267 -4.441 7.900
141 HA LYS 20 HA LYS 20 6.669 -6.693 8.864
142 HB2 LYS 20 2HB LYS 20 7.067 -5.208 6.752
143 HB3 LYS 20 1HB LYS 20 8.072 -4.271 7.847
144 HG2 LYS 20 2HG LYS 20 9.644 -5.787 7.060
145 HG3 LYS 20 1HG LYS 20 9.057 -6.650 8.482
146 HD2 LYS 20 2HD LYS 20 7.394 -7.820 6.995
147 HD3 LYS 20 1HD LYS 20 8.175 -7.061 5.609
148 HE2 LYS 20 2HE LYS 20 10.232 -8.201 6.019
149 HE3 LYS 20 1HE LYS 20 9.708 -8.719 7.622
150 HZ1 LYS 20 1HZ LYS 20 9.566 -10.466 5.887
151 HZ2 LYS 20 2HZ LYS 20 8.378 -9.542 5.100
152 HZ3 LYS 20 3HZ LYS 20 8.090 -10.151 6.660
153 H VAL 21 H VAL 21 6.569 -3.321 9.888
154 HA VAL 21 HA VAL 21 8.739 -3.265 11.628
155 HB VAL 21 HB VAL 21 6.054 -1.883 11.789
156 HG11 VAL 21 1HG1 VAL 21 6.862 -1.840 14.027
157 HG12 VAL 21 2HG1 VAL 21 7.374 -0.302 13.332
158 HG13 VAL 21 3HG1 VAL 21 8.532 -1.622 13.502
159 HG21 VAL 21 1HG2 VAL 21 7.555 -1.358 9.857
160 HG22 VAL 21 2HG2 VAL 21 8.815 -0.898 11.000
161 HG23 VAL 21 3HG2 VAL 21 7.314 0.025 10.924
162 H MET 22 H MET 22 5.646 -4.825 11.965
163 HA MET 22 HA MET 22 6.199 -5.449 14.795
164 HB2 MET 22 2HB MET 22 3.679 -5.939 13.188
165 HB3 MET 22 1HB MET 22 3.874 -6.127 14.938
166 HG2 MET 22 2HG MET 22 4.592 -3.642 14.931
167 HG3 MET 22 1HG MET 22 3.888 -3.582 13.308
168 HE1 MET 22 1HE MET 22 1.569 -1.944 16.167
169 HE2 MET 22 2HE MET 22 3.089 -1.722 15.305
170 HE3 MET 22 3HE MET 22 3.065 -2.633 16.813
171 H ASN 23 H ASN 23 4.963 -7.122 11.886
172 HA ASN 23 HA ASN 23 5.148 -9.728 12.701
173 HB2 ASN 23 2HB ASN 23 5.843 -8.564 9.997
174 HB3 ASN 23 1HB ASN 23 5.636 -10.287 10.304
175 HD21 ASN 23 1HD2 ASN 23 3.844 -9.523 8.515
176 HD22 ASN 23 2HD2 ASN 23 2.317 -9.208 9.186
177 HN1 NH2 24 HN1 NH2 24 7.865 -7.611 11.837
178 HN2 NH2 24 HN2 NH2 24 9.086 -8.757 12.200
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -10.128 5.999 -13.507
2 H2 GLY 1 2HT GLY 1 -10.390 7.064 -14.806
3 H3 GLY 1 3HT GLY 1 -9.613 7.611 -13.397
4 HA2 GLY 1 2HA GLY 1 -8.558 6.076 -15.635
5 HA3 GLY 1 1HA GLY 1 -7.759 7.279 -14.611
6 H VAL 2 H VAL 2 -5.973 5.761 -14.468
7 HA VAL 2 HA VAL 2 -6.302 3.194 -13.241
8 HB VAL 2 HB VAL 2 -3.836 4.911 -13.618
9 HG11 VAL 2 1HG1 VAL 2 -3.397 3.321 -11.866
10 HG12 VAL 2 2HG1 VAL 2 -2.677 2.671 -13.338
11 HG13 VAL 2 3HG1 VAL 2 -4.213 2.033 -12.752
12 HG21 VAL 2 1HG2 VAL 2 -4.951 4.242 -15.720
13 HG22 VAL 2 2HG2 VAL 2 -4.944 2.561 -15.189
14 HG23 VAL 2 3HG2 VAL 2 -3.421 3.387 -15.520
15 H VAL 3 H VAL 3 -5.841 6.441 -12.085
16 HA VAL 3 HA VAL 3 -4.710 6.159 -9.616
17 HB VAL 3 HB VAL 3 -7.109 7.830 -10.289
18 HG11 VAL 3 1HG1 VAL 3 -5.141 7.869 -8.002
19 HG12 VAL 3 2HG1 VAL 3 -6.901 7.792 -7.915
20 HG13 VAL 3 3HG1 VAL 3 -6.109 9.280 -8.433
21 HG21 VAL 3 1HG2 VAL 3 -4.182 8.587 -10.275
22 HG22 VAL 3 2HG2 VAL 3 -5.533 9.557 -10.861
23 HG23 VAL 3 3HG2 VAL 3 -5.046 8.104 -11.735
24 H ASP 4 H ASP 4 -8.159 5.700 -10.371
25 HA ASP 4 HA ASP 4 -9.062 5.031 -7.828
26 HB2 ASP 4 2HB ASP 4 -10.431 5.388 -9.951
27 HB3 ASP 4 1HB ASP 4 -10.059 3.705 -10.350
28 H ILE 5 H ILE 5 -7.435 3.040 -10.240
29 HA ILE 5 HA ILE 5 -7.787 0.590 -8.752
30 HB ILE 5 HB ILE 5 -5.838 1.116 -11.000
31 HG12 ILE 5 2HG1 ILE 5 -8.749 0.262 -11.146
32 HG13 ILE 5 1HG1 ILE 5 -8.121 1.837 -11.646
33 HG21 ILE 5 1HG2 ILE 5 -6.061 -1.283 -11.372
34 HG22 ILE 5 2HG2 ILE 5 -7.286 -1.396 -10.109
35 HG23 ILE 5 3HG2 ILE 5 -5.619 -1.004 -9.688
36 HD11 ILE 5 1HD1 ILE 5 -7.564 -0.868 -12.875
37 HD12 ILE 5 2HD1 ILE 5 -6.542 0.532 -13.196
38 HD13 ILE 5 3HD1 ILE 5 -8.246 0.562 -13.650
39 H LEU 6 H LEU 6 -5.250 3.003 -9.187
40 HA LEU 6 HA LEU 6 -3.248 1.538 -7.756
41 HB2 LEU 6 2HB LEU 6 -3.145 3.648 -9.438
42 HB3 LEU 6 1HB LEU 6 -3.094 4.510 -7.904
43 HG LEU 6 HG LEU 6 -0.820 4.036 -8.613
44 HD11 LEU 6 1HD1 LEU 6 -1.392 2.003 -6.462
45 HD12 LEU 6 2HD1 LEU 6 -1.586 3.729 -6.159
46 HD13 LEU 6 3HD1 LEU 6 -0.010 3.085 -6.616
47 HD21 LEU 6 1HD2 LEU 6 -1.807 1.815 -9.833
48 HD22 LEU 6 2HD2 LEU 6 -1.106 1.083 -8.391
49 HD23 LEU 6 3HD2 LEU 6 -0.096 2.040 -9.472
50 H LYS 7 H LYS 7 -5.771 3.806 -6.902
51 HA LYS 7 HA LYS 7 -4.925 4.641 -4.395
52 HB2 LYS 7 2HB LYS 7 -7.026 5.242 -5.822
53 HB3 LYS 7 1HB LYS 7 -7.763 3.961 -4.885
54 HG2 LYS 7 2HG LYS 7 -6.274 6.254 -3.599
55 HG3 LYS 7 1HG LYS 7 -8.003 6.311 -3.923
56 HD2 LYS 7 2HD LYS 7 -8.269 5.342 -1.889
57 HD3 LYS 7 1HD LYS 7 -7.703 3.856 -2.644
58 HE2 LYS 7 2HE LYS 7 -6.269 4.095 -0.795
59 HE3 LYS 7 1HE LYS 7 -5.318 4.768 -2.117
60 HZ1 LYS 7 1HZ LYS 7 -6.800 6.871 -1.226
61 HZ2 LYS 7 2HZ LYS 7 -5.164 6.583 -0.870
62 HZ3 LYS 7 3HZ LYS 7 -6.375 6.063 0.202
63 H GLY 8 H GLY 8 -7.290 2.041 -4.966
64 HA2 GLY 8 2HA GLY 8 -7.284 0.962 -2.405
65 HA3 GLY 8 1HA GLY 8 -7.653 0.045 -3.871
66 H ALA 9 H ALA 9 -5.050 0.428 -5.079
67 HA ALA 9 HA ALA 9 -3.670 -1.764 -3.837
68 HB1 ALA 9 1HB ALA 9 -3.747 -1.261 -6.326
69 HB2 ALA 9 2HB ALA 9 -2.151 -1.624 -5.670
70 HB3 ALA 9 3HB ALA 9 -2.606 0.045 -6.008
71 H ALA 10 H ALA 10 -3.381 1.716 -3.821
72 HA ALA 10 HA ALA 10 -0.768 2.085 -2.974
73 HB1 ALA 10 1HB ALA 10 -2.546 3.848 -3.516
74 HB2 ALA 10 2HB ALA 10 -1.446 4.214 -2.187
75 HB3 ALA 10 3HB ALA 10 -3.083 3.655 -1.847
76 H LYS 11 H LYS 11 -3.454 0.730 -1.238
77 HA LYS 11 HA LYS 11 -2.415 1.140 1.396
78 HB2 LYS 11 2HB LYS 11 -4.158 -0.307 2.140
79 HB3 LYS 11 1HB LYS 11 -4.827 0.628 0.807
80 HG2 LYS 11 2HG LYS 11 -5.472 -1.415 0.012
81 HG3 LYS 11 1HG LYS 11 -3.800 -1.510 -0.555
82 HD2 LYS 11 2HD LYS 11 -4.025 -3.520 0.620
83 HD3 LYS 11 1HD LYS 11 -3.330 -2.469 1.851
84 HE2 LYS 11 2HE LYS 11 -5.140 -3.484 2.966
85 HE3 LYS 11 1HE LYS 11 -5.795 -1.923 2.470
86 HZ1 LYS 11 1HZ LYS 11 -7.121 -4.067 1.985
87 HZ2 LYS 11 2HZ LYS 11 -6.041 -4.254 0.689
88 HZ3 LYS 11 3HZ LYS 11 -7.021 -2.870 0.789
89 H ASP 12 H ASP 12 -1.841 -1.174 -1.122
90 HA ASP 12 HA ASP 12 -0.868 -3.347 0.350
91 HB2 ASP 12 2HB ASP 12 -1.295 -3.220 -2.156
92 HB3 ASP 12 1HB ASP 12 0.278 -2.420 -2.286
93 H ILE 13 H ILE 13 1.024 -0.719 -1.164
94 HA ILE 13 HA ILE 13 3.514 -1.391 -0.130
95 HB ILE 13 HB ILE 13 2.436 1.394 -0.631
96 HG12 ILE 13 2HG1 ILE 13 4.054 0.689 -2.764
97 HG13 ILE 13 1HG1 ILE 13 3.235 -0.834 -2.407
98 HG21 ILE 13 1HG2 ILE 13 4.899 1.839 -1.063
99 HG22 ILE 13 2HG2 ILE 13 5.230 0.261 -0.348
100 HG23 ILE 13 3HG2 ILE 13 4.478 1.529 0.622
101 HD11 ILE 13 1HD1 ILE 13 2.014 1.824 -3.153
102 HD12 ILE 13 2HD1 ILE 13 1.064 0.572 -2.354
103 HD13 ILE 13 3HD1 ILE 13 1.790 0.256 -3.930
104 H ALA 14 H ALA 14 1.082 0.816 1.254
105 HA ALA 14 HA ALA 14 2.468 1.577 3.546
106 HB1 ALA 14 1HB ALA 14 -0.511 1.094 3.325
107 HB2 ALA 14 2HB ALA 14 0.310 2.557 2.784
108 HB3 ALA 14 3HB ALA 14 0.302 2.131 4.496
109 H GLY 15 H GLY 15 0.147 -1.112 3.183
110 HA2 GLY 15 2HA GLY 15 0.590 -2.132 5.815
111 HA3 GLY 15 1HA GLY 15 -0.241 -2.966 4.497
112 H HIS 16 H HIS 16 2.674 -2.000 3.296
113 HA HIS 16 HA HIS 16 3.769 -4.687 3.515
114 HB2 HIS 16 2HB HIS 16 3.685 -3.149 1.402
115 HB3 HIS 16 1HB HIS 16 5.140 -2.453 2.100
116 HD2 HIS 16 2HD HIS 16 4.058 -5.650 0.203
117 HE1 HIS 16 1HE HIS 16 8.072 -6.213 1.388
118 HE2 HIS 16 2HE HIS 16 6.185 -7.147 -0.034
119 H LEU 17 H LEU 17 5.344 -1.494 3.736
120 HA LEU 17 HA LEU 17 7.511 -2.401 5.269
121 HB2 LEU 17 2HB LEU 17 7.901 0.002 5.694
122 HB3 LEU 17 1HB LEU 17 7.607 -0.334 3.989
123 HG LEU 17 HG LEU 17 5.067 0.127 4.946
124 HD11 LEU 17 1HD1 LEU 17 6.107 0.841 7.134
125 HD12 LEU 17 2HD1 LEU 17 5.110 2.075 6.364
126 HD13 LEU 17 3HD1 LEU 17 6.867 2.172 6.261
127 HD21 LEU 17 1HD2 LEU 17 5.831 1.078 2.889
128 HD22 LEU 17 2HD2 LEU 17 7.099 1.991 3.708
129 HD23 LEU 17 3HD2 LEU 17 5.408 2.444 3.923
130 H ALA 18 H ALA 18 4.418 -0.938 6.196
131 HA ALA 18 HA ALA 18 4.867 -0.509 8.901
132 HB1 ALA 18 1HB ALA 18 2.524 -0.453 9.162
133 HB2 ALA 18 2HB ALA 18 2.265 -1.621 7.865
134 HB3 ALA 18 3HB ALA 18 2.781 0.022 7.482
135 H SER 19 H SER 19 4.316 -3.494 7.169
136 HA SER 19 HA SER 19 3.608 -5.186 9.290
137 HB2 SER 19 2HB SER 19 4.149 -6.972 7.851
138 HB3 SER 19 1HB SER 19 3.677 -5.670 6.763
139 HG SER 19 HG SER 19 5.586 -6.396 5.985
140 H LYS 20 H LYS 20 6.832 -4.835 7.814
141 HA LYS 20 HA LYS 20 8.235 -6.253 9.778
142 HB2 LYS 20 2HB LYS 20 8.988 -5.440 7.435
143 HB3 LYS 20 1HB LYS 20 9.461 -3.978 8.287
144 HG2 LYS 20 2HG LYS 20 11.428 -5.192 8.470
145 HG3 LYS 20 1HG LYS 20 10.613 -5.699 9.948
146 HD2 LYS 20 2HD LYS 20 9.637 -7.629 8.572
147 HD3 LYS 20 1HD LYS 20 10.805 -7.191 7.325
148 HE2 LYS 20 2HE LYS 20 11.871 -8.879 8.633
149 HE3 LYS 20 1HE LYS 20 12.596 -7.354 9.143
150 HZ1 LYS 20 1HZ LYS 20 11.134 -9.220 10.676
151 HZ2 LYS 20 2HZ LYS 20 10.333 -7.721 10.699
152 HZ3 LYS 20 3HZ LYS 20 11.956 -7.830 11.193
153 H VAL 21 H VAL 21 7.452 -2.813 9.538
154 HA VAL 21 HA VAL 21 9.024 -1.804 11.591
155 HB VAL 21 HB VAL 21 6.230 -1.020 10.733
156 HG11 VAL 21 1HG1 VAL 21 6.490 -0.125 12.927
157 HG12 VAL 21 2HG1 VAL 21 6.919 1.192 11.835
158 HG13 VAL 21 3HG1 VAL 21 8.185 0.270 12.646
159 HG21 VAL 21 1HG2 VAL 21 8.858 0.375 10.189
160 HG22 VAL 21 2HG2 VAL 21 7.314 0.596 9.364
161 HG23 VAL 21 3HG2 VAL 21 8.238 -0.886 9.123
162 H MET 22 H MET 22 5.830 -3.341 11.773
163 HA MET 22 HA MET 22 5.717 -3.094 14.656
164 HB2 MET 22 2HB MET 22 3.970 -4.592 12.688
165 HB3 MET 22 1HB MET 22 3.637 -4.437 14.420
166 HG2 MET 22 2HG MET 22 3.779 -1.909 14.081
167 HG3 MET 22 1HG MET 22 3.745 -2.237 12.343
168 HE1 MET 22 1HE MET 22 1.632 -0.381 13.248
169 HE2 MET 22 2HE MET 22 1.796 -0.931 14.913
170 HE3 MET 22 3HE MET 22 0.223 -0.997 14.122
171 H ASN 23 H ASN 23 5.734 -5.886 12.424
172 HA ASN 23 HA ASN 23 6.120 -7.902 14.274
173 HB2 ASN 23 2HB ASN 23 7.445 -7.829 11.558
174 HB3 ASN 23 1HB ASN 23 6.942 -9.250 12.472
175 HD21 ASN 23 1HD2 ASN 23 4.407 -7.630 13.276
176 HD22 ASN 23 2HD2 ASN 23 3.404 -7.781 11.915
177 HN1 NH2 24 HN1 NH2 24 8.320 -5.360 13.578
178 HN2 NH2 24 HN2 NH2 24 9.703 -6.064 14.305
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -12.831 3.833 -13.072
2 H2 GLY 1 2HT GLY 1 -13.065 4.869 -11.746
3 H3 GLY 1 3HT GLY 1 -12.079 3.494 -11.591
4 HA2 GLY 1 2HA GLY 1 -11.198 5.161 -13.729
5 HA3 GLY 1 1HA GLY 1 -11.244 6.032 -12.189
6 H VAL 2 H VAL 2 -9.026 4.811 -13.936
7 HA VAL 2 HA VAL 2 -7.798 2.652 -12.689
8 HB VAL 2 HB VAL 2 -6.356 5.043 -13.850
9 HG11 VAL 2 1HG1 VAL 2 -4.887 3.453 -12.739
10 HG12 VAL 2 2HG1 VAL 2 -4.708 3.263 -14.484
11 HG13 VAL 2 3HG1 VAL 2 -5.666 2.103 -13.563
12 HG21 VAL 2 1HG2 VAL 2 -7.982 4.402 -15.486
13 HG22 VAL 2 2HG2 VAL 2 -7.728 2.685 -15.165
14 HG23 VAL 2 3HG2 VAL 2 -6.476 3.626 -15.977
15 H VAL 3 H VAL 3 -7.687 6.090 -11.864
16 HA VAL 3 HA VAL 3 -5.695 6.157 -9.975
17 HB VAL 3 HB VAL 3 -8.353 7.546 -9.904
18 HG11 VAL 3 1HG1 VAL 3 -7.444 7.706 -7.704
19 HG12 VAL 3 2HG1 VAL 3 -7.018 9.219 -8.506
20 HG13 VAL 3 3HG1 VAL 3 -5.811 7.946 -8.326
21 HG21 VAL 3 1HG2 VAL 3 -5.645 8.532 -10.828
22 HG22 VAL 3 2HG2 VAL 3 -7.188 9.372 -10.984
23 HG23 VAL 3 3HG2 VAL 3 -6.883 7.908 -11.919
24 H ASP 4 H ASP 4 -9.115 5.351 -9.399
25 HA ASP 4 HA ASP 4 -9.020 4.866 -6.678
26 HB2 ASP 4 2HB ASP 4 -11.103 4.854 -7.968
27 HB3 ASP 4 1HB ASP 4 -10.607 3.357 -8.770
28 H ILE 5 H ILE 5 -8.049 2.760 -9.339
29 HA ILE 5 HA ILE 5 -7.516 0.506 -7.609
30 HB ILE 5 HB ILE 5 -6.662 0.951 -10.478
31 HG12 ILE 5 2HG1 ILE 5 -9.121 -0.466 -9.398
32 HG13 ILE 5 1HG1 ILE 5 -9.139 1.157 -10.098
33 HG21 ILE 5 1HG2 ILE 5 -6.994 -1.545 -8.784
34 HG22 ILE 5 2HG2 ILE 5 -5.463 -0.860 -9.331
35 HG23 ILE 5 3HG2 ILE 5 -6.598 -1.531 -10.502
36 HD11 ILE 5 1HD1 ILE 5 -8.180 0.218 -12.202
37 HD12 ILE 5 2HD1 ILE 5 -9.759 -0.464 -11.814
38 HD13 ILE 5 3HD1 ILE 5 -8.295 -1.397 -11.501
39 H LEU 6 H LEU 6 -5.541 2.830 -9.451
40 HA LEU 6 HA LEU 6 -3.025 1.853 -8.703
41 HB2 LEU 6 2HB LEU 6 -3.827 3.794 -10.371
42 HB3 LEU 6 1HB LEU 6 -3.385 4.802 -8.997
43 HG LEU 6 HG LEU 6 -1.444 4.584 -10.425
44 HD11 LEU 6 1HD1 LEU 6 -1.267 4.324 -7.848
45 HD12 LEU 6 2HD1 LEU 6 0.136 3.899 -8.826
46 HD13 LEU 6 3HD1 LEU 6 -0.913 2.631 -8.192
47 HD21 LEU 6 1HD2 LEU 6 -0.737 2.638 -11.424
48 HD22 LEU 6 2HD2 LEU 6 -2.434 2.203 -11.230
49 HD23 LEU 6 3HD2 LEU 6 -1.236 1.628 -10.069
50 H LYS 7 H LYS 7 -5.186 4.147 -7.098
51 HA LYS 7 HA LYS 7 -3.389 4.876 -5.031
52 HB2 LYS 7 2HB LYS 7 -5.667 5.918 -5.873
53 HB3 LYS 7 1HB LYS 7 -6.308 4.900 -4.603
54 HG2 LYS 7 2HG LYS 7 -4.031 6.835 -4.145
55 HG3 LYS 7 1HG LYS 7 -5.717 7.275 -3.904
56 HD2 LYS 7 2HD LYS 7 -5.525 6.463 -1.803
57 HD3 LYS 7 1HD LYS 7 -5.455 4.855 -2.513
58 HE2 LYS 7 2HE LYS 7 -2.917 5.337 -2.819
59 HE3 LYS 7 1HE LYS 7 -3.179 6.633 -1.653
60 HZ1 LYS 7 1HZ LYS 7 -4.275 4.860 -0.237
61 HZ2 LYS 7 2HZ LYS 7 -2.584 4.785 -0.386
62 HZ3 LYS 7 3HZ LYS 7 -3.566 3.726 -1.281
63 H GLY 8 H GLY 8 -5.723 2.298 -5.444
64 HA2 GLY 8 2HA GLY 8 -5.716 1.409 -2.734
65 HA3 GLY 8 1HA GLY 8 -6.297 0.496 -4.129
66 H ALA 9 H ALA 9 -3.711 0.772 -5.537
67 HA ALA 9 HA ALA 9 -2.445 -1.571 -4.460
68 HB1 ALA 9 1HB ALA 9 -2.604 -0.990 -6.913
69 HB2 ALA 9 2HB ALA 9 -0.990 -1.442 -6.361
70 HB3 ALA 9 3HB ALA 9 -1.390 0.256 -6.624
71 H ALA 10 H ALA 10 -1.861 1.876 -4.333
72 HA ALA 10 HA ALA 10 0.821 1.941 -3.582
73 HB1 ALA 10 1HB ALA 10 -0.789 3.889 -4.076
74 HB2 ALA 10 2HB ALA 10 0.428 4.133 -2.822
75 HB3 ALA 10 3HB ALA 10 -1.240 3.774 -2.375
76 H LYS 11 H LYS 11 -2.056 1.734 -1.477
77 HA LYS 11 HA LYS 11 -0.832 1.735 0.992
78 HB2 LYS 11 2HB LYS 11 -2.777 0.666 1.853
79 HB3 LYS 11 1HB LYS 11 -3.318 1.646 0.491
80 HG2 LYS 11 2HG LYS 11 -4.333 -0.273 -0.210
81 HG3 LYS 11 1HG LYS 11 -2.718 -0.719 -0.770
82 HD2 LYS 11 2HD LYS 11 -3.315 -2.580 0.518
83 HD3 LYS 11 1HD LYS 11 -2.406 -1.615 1.681
84 HE2 LYS 11 2HE LYS 11 -4.377 -2.224 2.844
85 HE3 LYS 11 1HE LYS 11 -4.683 -0.571 2.312
86 HZ1 LYS 11 1HZ LYS 11 -5.431 -2.667 0.448
87 HZ2 LYS 11 2HZ LYS 11 -6.239 -1.228 0.851
88 HZ3 LYS 11 3HZ LYS 11 -6.355 -2.585 1.868
89 H ASP 12 H ASP 12 -0.751 -0.728 -1.443
90 HA ASP 12 HA ASP 12 -0.142 -2.991 0.093
91 HB2 ASP 12 2HB ASP 12 -0.611 -2.860 -2.413
92 HB3 ASP 12 1HB ASP 12 1.084 -2.391 -2.600
93 H ILE 13 H ILE 13 2.101 -0.708 -1.493
94 HA ILE 13 HA ILE 13 4.430 -1.843 -0.298
95 HB ILE 13 HB ILE 13 4.016 0.891 -1.533
96 HG12 ILE 13 2HG1 ILE 13 5.475 -0.607 -3.316
97 HG13 ILE 13 1HG1 ILE 13 4.411 -1.840 -2.634
98 HG21 ILE 13 1HG2 ILE 13 6.539 0.659 -1.876
99 HG22 ILE 13 2HG2 ILE 13 6.475 -0.670 -0.718
100 HG23 ILE 13 3HG2 ILE 13 6.007 0.956 -0.220
101 HD11 ILE 13 1HD1 ILE 13 2.446 -0.475 -3.176
102 HD12 ILE 13 2HD1 ILE 13 3.409 -0.750 -4.626
103 HD13 ILE 13 3HD1 ILE 13 3.487 0.805 -3.799
104 H ALA 14 H ALA 14 2.719 1.236 0.298
105 HA ALA 14 HA ALA 14 4.189 2.135 2.462
106 HB1 ALA 14 1HB ALA 14 2.141 3.358 3.139
107 HB2 ALA 14 2HB ALA 14 1.208 2.392 1.995
108 HB3 ALA 14 3HB ALA 14 2.456 3.492 1.408
109 H GLY 15 H GLY 15 1.729 -0.360 2.340
110 HA2 GLY 15 2HA GLY 15 1.586 -0.605 5.238
111 HA3 GLY 15 1HA GLY 15 0.726 -1.596 4.054
112 H HIS 16 H HIS 16 3.528 -1.818 2.700
113 HA HIS 16 HA HIS 16 4.157 -4.388 3.688
114 HB2 HIS 16 2HB HIS 16 4.676 -3.462 1.391
115 HB3 HIS 16 1HB HIS 16 6.015 -2.615 2.151
116 HD2 HIS 16 2HD HIS 16 6.018 -5.562 0.140
117 HE1 HIS 16 1HE HIS 16 8.217 -6.889 3.491
118 HE2 HIS 16 2HE HIS 16 7.634 -7.391 1.071
119 H LEU 17 H LEU 17 5.991 -1.338 3.948
120 HA LEU 17 HA LEU 17 7.930 -2.334 5.731
121 HB2 LEU 17 2HB LEU 17 8.407 0.061 6.137
122 HB3 LEU 17 1HB LEU 17 8.311 -0.326 4.421
123 HG LEU 17 HG LEU 17 5.695 0.309 5.061
124 HD11 LEU 17 1HD1 LEU 17 6.576 1.102 7.302
125 HD12 LEU 17 2HD1 LEU 17 5.694 2.316 6.375
126 HD13 LEU 17 3HD1 LEU 17 7.457 2.352 6.425
127 HD21 LEU 17 1HD2 LEU 17 6.142 2.403 3.826
128 HD22 LEU 17 2HD2 LEU 17 6.946 1.034 3.061
129 HD23 LEU 17 3HD2 LEU 17 7.874 2.160 4.049
130 H ALA 18 H ALA 18 4.824 -0.719 6.239
131 HA ALA 18 HA ALA 18 5.094 -0.370 9.040
132 HB1 ALA 18 1HB ALA 18 2.718 0.092 9.029
133 HB2 ALA 18 2HB ALA 18 2.541 -0.664 7.445
134 HB3 ALA 18 3HB ALA 18 3.446 0.840 7.608
135 H SER 19 H SER 19 3.928 -3.008 7.028
136 HA SER 19 HA SER 19 2.643 -4.534 9.004
137 HB2 SER 19 2HB SER 19 3.678 -4.968 6.290
138 HB3 SER 19 1HB SER 19 3.689 -6.415 7.292
139 HG SER 19 HG SER 19 1.437 -4.745 7.307
140 H LYS 20 H LYS 20 6.033 -4.445 7.963
141 HA LYS 20 HA LYS 20 6.922 -6.576 9.595
142 HB2 LYS 20 2HB LYS 20 8.084 -5.358 7.599
143 HB3 LYS 20 1HB LYS 20 8.689 -4.294 8.861
144 HG2 LYS 20 2HG LYS 20 10.372 -5.894 8.842
145 HG3 LYS 20 1HG LYS 20 9.297 -6.579 10.061
146 HD2 LYS 20 2HD LYS 20 8.243 -8.001 8.346
147 HD3 LYS 20 1HD LYS 20 9.300 -7.308 7.117
148 HE2 LYS 20 2HE LYS 20 10.221 -9.443 7.861
149 HE3 LYS 20 1HE LYS 20 11.274 -8.134 8.396
150 HZ1 LYS 20 1HZ LYS 20 10.628 -8.369 10.560
151 HZ2 LYS 20 2HZ LYS 20 10.518 -9.984 10.046
152 HZ3 LYS 20 3HZ LYS 20 9.116 -9.031 10.169
153 H VAL 21 H VAL 21 6.338 -3.195 10.201
154 HA VAL 21 HA VAL 21 7.845 -3.007 12.620
155 HB VAL 21 HB VAL 21 5.528 -1.354 11.588
156 HG11 VAL 21 1HG1 VAL 21 6.528 0.344 13.223
157 HG12 VAL 21 2HG1 VAL 21 7.397 -1.013 13.941
158 HG13 VAL 21 3HG1 VAL 21 5.634 -0.995 13.945
159 HG21 VAL 21 1HG2 VAL 21 8.472 -0.662 11.663
160 HG22 VAL 21 2HG2 VAL 21 7.189 0.134 10.752
161 HG23 VAL 21 3HG2 VAL 21 7.739 -1.473 10.278
162 H MET 22 H MET 22 4.389 -3.520 11.927
163 HA MET 22 HA MET 22 3.594 -3.730 14.648
164 HB2 MET 22 2HB MET 22 2.274 -4.862 12.166
165 HB3 MET 22 1HB MET 22 1.510 -4.665 13.751
166 HG2 MET 22 2HG MET 22 2.116 -2.184 13.574
167 HG3 MET 22 1HG MET 22 2.491 -2.502 11.873
168 HE1 MET 22 1HE MET 22 -0.863 -0.581 11.865
169 HE2 MET 22 2HE MET 22 0.480 -0.907 10.774
170 HE3 MET 22 3HE MET 22 0.803 -0.409 12.433
171 H ASN 23 H ASN 23 4.486 -6.133 12.193
172 HA ASN 23 HA ASN 23 3.982 -8.401 13.850
173 HB2 ASN 23 2HB ASN 23 5.780 -8.153 11.427
174 HB3 ASN 23 1HB ASN 23 5.194 -9.658 12.134
175 HD21 ASN 23 1HD2 ASN 23 4.051 -10.166 10.098
176 HD22 ASN 23 2HD2 ASN 23 2.609 -9.361 9.701
177 HN1 NH2 24 HN1 NH2 24 6.645 -6.157 13.679
178 HN2 NH2 24 HN2 NH2 24 7.707 -7.042 14.692
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