Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20606 | 2g57 RC | 7001 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 18 1HA ACE 18 -18.666 4.266 1.037
2 2H ACE 18 2HA ACE 18 -17.115 4.963 0.763
3 3H ACE 18 3HA ACE 18 -17.313 3.764 1.984
4 H LYS 19 H LYS 19 -15.770 4.013 -0.739
5 HA LYS 19 HA LYS 19 -15.851 1.237 -1.395
6 1HB LYS 19 2HB LYS 19 -17.862 1.992 -2.604
7 2HB LYS 19 1HB LYS 19 -16.897 3.187 -3.459
8 1HG LYS 19 2HG LYS 19 -17.264 1.321 -4.905
9 2HG LYS 19 1HG LYS 19 -15.564 1.336 -4.436
10 1HD LYS 19 2HD LYS 19 -16.356 -0.925 -4.331
11 2HD LYS 19 1HD LYS 19 -16.102 -0.353 -2.682
12 1HE LYS 19 2HE LYS 19 -18.181 -1.583 -2.818
13 2HE LYS 19 1HE LYS 19 -18.511 0.118 -2.497
14 1HZ LYS 19 1HZ LYS 19 -18.701 -1.210 -5.148
15 2HZ LYS 19 2HZ LYS 19 -19.018 0.423 -4.841
16 3HZ LYS 19 3HZ LYS 19 -20.009 -0.770 -4.167
17 H ALA 20 H ALA 20 -14.896 4.495 -2.363
18 HA ALA 20 HA ALA 20 -12.603 3.594 -3.843
19 1HB ALA 20 1HB ALA 20 -12.076 5.951 -4.090
20 2HB ALA 20 2HB ALA 20 -13.293 6.369 -2.884
21 3HB ALA 20 3HB ALA 20 -13.784 5.669 -4.426
22 H ALA 21 H ALA 21 -13.290 3.923 -0.585
23 HA ALA 21 HA ALA 21 -10.425 3.934 0.074
24 1HB ALA 21 1HB ALA 21 -11.342 6.137 0.608
25 2HB ALA 21 2HB ALA 21 -10.869 5.269 2.068
26 3HB ALA 21 3HB ALA 21 -12.571 5.383 1.622
27 H VAL 22 H VAL 22 -12.945 2.045 -0.091
28 HA VAL 22 HA VAL 22 -12.465 0.733 2.506
29 HB VAL 22 HB VAL 22 -14.939 0.426 0.801
30 1HG1 VAL 22 1HG1 VAL 22 -14.514 -1.455 2.270
31 2HG1 VAL 22 2HG1 VAL 22 -15.896 -0.531 2.857
32 3HG1 VAL 22 3HG1 VAL 22 -14.328 -0.368 3.647
33 1HG2 VAL 22 1HG2 VAL 22 -14.550 2.154 3.243
34 2HG2 VAL 22 2HG2 VAL 22 -16.070 1.890 2.389
35 3HG2 VAL 22 3HG2 VAL 22 -14.745 2.735 1.589
36 H SER 23 H SER 23 -12.141 0.505 -0.854
37 HA SER 23 HA SER 23 -11.412 -2.331 -0.605
38 1HB SER 23 2HB SER 23 -12.965 -1.088 -2.884
39 2HB SER 23 1HB SER 23 -12.319 -2.728 -2.886
40 HG SER 23 HG SER 23 -14.470 -2.771 -2.234
41 H HIS 24 H HIS 24 -10.260 0.617 -1.044
42 HA HIS 24 HA HIS 24 -8.307 -0.193 -3.094
43 1HB HIS 24 2HB HIS 24 -9.289 2.547 -2.293
44 2HB HIS 24 1HB HIS 24 -7.870 2.295 -3.304
45 HD1 HIS 24 1HD HIS 24 -8.356 2.334 -5.751
46 HD2 HIS 24 2HD HIS 24 -11.670 1.226 -3.508
47 HE1 HIS 24 1HE HIS 24 -10.260 2.054 -7.391
48 H TRP 25 H TRP 25 -8.573 -0.302 0.057
49 HA TRP 25 HA TRP 25 -5.992 0.916 0.702
50 1HB TRP 25 2HB TRP 25 -6.622 0.323 3.078
51 2HB TRP 25 1HB TRP 25 -7.663 1.501 2.290
52 HD1 TRP 25 HD TRP 25 -8.404 -2.023 1.230
53 HE1 TRP 25 1HE TRP 25 -10.564 -2.829 2.373
54 HE3 TRP 25 3HE TRP 25 -8.970 1.746 4.628
55 HZ2 TRP 25 2HZ TRP 25 -12.279 -1.978 4.452
56 HZ3 TRP 25 3HZ TRP 25 -10.889 1.679 6.158
57 HH2 TRP 25 HH TRP 25 -12.513 -0.145 6.072
58 H GLN 26 H GLN 26 -6.923 -1.879 -0.576
59 HA GLN 26 HA GLN 26 -5.189 -3.596 1.048
60 1HB GLN 26 2HB GLN 26 -7.089 -4.253 -1.209
61 2HB GLN 26 1HB GLN 26 -6.105 -5.436 -0.359
62 1HG GLN 26 2HG GLN 26 -7.462 -5.478 1.419
63 2HG GLN 26 1HG GLN 26 -7.754 -3.741 1.369
64 1HE2 GLN 26 1HE2 GLN 26 -9.374 -2.934 0.005
65 2HE2 GLN 26 2HE2 GLN 26 -10.657 -3.942 -0.565
66 H GLN 27 H GLN 27 -5.622 -2.459 -2.275
67 HA GLN 27 HA GLN 27 -3.189 -3.730 -3.163
68 1HB GLN 27 2HB GLN 27 -3.661 -2.533 -5.314
69 2HB GLN 27 1HB GLN 27 -4.942 -3.604 -4.774
70 1HG GLN 27 2HG GLN 27 -5.987 -1.662 -5.591
71 2HG GLN 27 1HG GLN 27 -6.099 -1.577 -3.836
72 1HE2 GLN 27 1HE2 GLN 27 -4.958 -0.007 -2.735
73 2HE2 GLN 27 2HE2 GLN 27 -4.210 1.332 -3.529
74 H GLN 28 H GLN 28 -3.159 -1.634 -1.018
75 HA GLN 28 HA GLN 28 -0.971 -0.072 -2.161
76 1HB GLN 28 2HB GLN 28 -1.790 2.005 -1.165
77 2HB GLN 28 1HB GLN 28 -2.942 1.372 -2.331
78 1HG GLN 28 2HG GLN 28 -4.302 2.025 -0.594
79 2HG GLN 28 1HG GLN 28 -4.084 0.306 -0.271
80 1HE2 GLN 28 1HE2 GLN 28 -4.528 0.556 1.913
81 2HE2 GLN 28 2HE2 GLN 28 -3.413 1.296 3.005
82 H SER 29 H SER 29 -2.451 -1.708 0.448
83 HA SER 29 HA SER 29 -0.545 -0.712 2.414
84 1HB SER 29 2HB SER 29 -2.873 -1.009 3.120
85 2HB SER 29 1HB SER 29 -2.792 -2.719 2.695
86 HG SER 29 HG SER 29 -1.777 -3.113 4.496
87 H TYR 30 H TYR 30 -0.536 -3.040 0.059
88 HA TYR 30 HA TYR 30 1.038 -4.948 1.626
89 1HB TYR 30 2HB TYR 30 0.679 -6.531 -0.075
90 2HB TYR 30 1HB TYR 30 -0.849 -5.668 0.049
91 HD1 TYR 30 1HD TYR 30 1.593 -6.869 -2.162
92 HD2 TYR 30 2HD TYR 30 -1.087 -3.612 -1.609
93 HE1 TYR 30 1HE TYR 30 1.692 -6.388 -4.571
94 HE2 TYR 30 2HE TYR 30 -0.996 -3.123 -4.017
95 HH TYR 30 HH TYR 30 0.325 -5.273 -6.283
96 H LEU 31 H LEU 31 1.549 -2.221 -0.152
97 HA LEU 31 HA LEU 31 3.975 -3.068 -1.485
98 1HB LEU 31 2HB LEU 31 2.725 -0.342 -1.149
99 2HB LEU 31 1HB LEU 31 4.166 -0.662 -2.096
100 HG LEU 31 HG LEU 31 1.420 -1.788 -2.659
101 1HD1 LEU 31 1HD1 LEU 31 1.447 -0.301 -4.596
102 2HD1 LEU 31 2HD1 LEU 31 2.992 0.364 -4.067
103 3HD1 LEU 31 3HD1 LEU 31 1.546 0.607 -3.088
104 1HD2 LEU 31 1HD2 LEU 31 4.020 -2.013 -4.168
105 2HD2 LEU 31 2HD2 LEU 31 2.447 -2.512 -4.788
106 3HD2 LEU 31 3HD2 LEU 31 3.137 -3.321 -3.380
107 H ASP 32 H ASP 32 3.157 -2.221 1.623
108 HA ASP 32 HA ASP 32 5.863 -1.215 2.206
109 1HB ASP 32 2HB ASP 32 3.327 -0.892 3.828
110 2HB ASP 32 1HB ASP 32 4.911 -0.266 4.272
111 H SEP 33 H SEP 33 4.594 -4.033 1.987
112 HA SEP 33 HA SEP 33 4.586 -5.246 4.504
113 1HB SEP 33 1HB SEP 33 5.319 -6.427 1.816
114 2HB SEP 33 2HB SEP 33 4.971 -7.365 3.268
115 H GLY 34 H GLY 34 7.236 -4.662 2.236
116 1HA GLY 34 2HA GLY 34 9.327 -4.140 3.689
117 2HA GLY 34 1HA GLY 34 9.127 -5.820 4.164
118 H ILE 35 H ILE 35 9.064 -4.000 1.095
119 HA ILE 35 HA ILE 35 10.455 -6.178 -0.228
120 HB ILE 35 HB ILE 35 9.552 -3.536 -1.383
121 1HG1 ILE 35 2HG1 ILE 35 8.170 -6.227 -1.496
122 2HG1 ILE 35 1HG1 ILE 35 7.696 -4.911 -0.426
123 1HG2 ILE 35 1HG2 ILE 35 9.748 -4.673 -3.538
124 2HG2 ILE 35 2HG2 ILE 35 10.333 -6.123 -2.724
125 3HG2 ILE 35 3HG2 ILE 35 11.292 -4.644 -2.687
126 1HD1 ILE 35 1HD1 ILE 35 7.661 -4.862 -3.434
127 2HD1 ILE 35 2HD1 ILE 35 7.230 -3.511 -2.384
128 3HD1 ILE 35 3HD1 ILE 35 6.264 -4.986 -2.366
129 H HIS 36 H HIS 36 12.506 -6.110 0.704
130 HA HIS 36 HA HIS 36 14.683 -5.504 0.931
131 1HB HIS 36 2HB HIS 36 14.053 -3.849 -1.520
132 2HB HIS 36 1HB HIS 36 15.675 -4.163 -0.910
133 HD1 HIS 36 1HD HIS 36 16.613 -6.587 -1.249
134 HD2 HIS 36 2HD HIS 36 12.851 -5.930 -2.883
135 HE1 HIS 36 1HE HIS 36 16.150 -8.549 -2.775
136 H SEP 37 H SEP 37 12.344 -3.694 1.912
137 HA SEP 37 HA SEP 37 12.104 -1.820 3.170
138 1HB SEP 37 1HB SEP 37 14.938 -2.601 3.547
139 2HB SEP 37 2HB SEP 37 14.506 -0.967 4.049
140 H GLY 38 H GLY 38 12.976 -1.703 0.202
141 1HA GLY 38 2HA GLY 38 14.014 1.041 0.135
142 2HA GLY 38 1HA GLY 38 13.939 -0.065 -1.228
143 H ALA 39 H ALA 39 11.074 -0.290 0.409
144 HA ALA 39 HA ALA 39 9.708 1.297 -1.607
145 1HB ALA 39 1HB ALA 39 8.926 -0.973 -1.118
146 2HB ALA 39 2HB ALA 39 7.678 0.229 -0.789
147 3HB ALA 39 3HB ALA 39 8.579 -0.494 0.544
148 H THR 40 H THR 40 11.202 2.323 0.907
149 HA THR 40 HA THR 40 9.057 4.152 1.762
150 HB THR 40 HB THR 40 9.484 2.643 3.610
151 HG1 THR 40 1HG THR 40 9.134 4.793 4.215
152 1HG2 THR 40 1HG2 THR 40 11.719 2.541 4.668
153 2HG2 THR 40 2HG2 THR 40 12.372 3.477 3.324
154 3HG2 THR 40 3HG2 THR 40 11.706 1.869 3.037
155 H THR 41 H THR 41 11.614 4.050 -0.087
156 HA THR 41 HA THR 41 12.837 6.535 0.905
157 HB THR 41 HB THR 41 13.937 4.649 -1.186
158 HG1 THR 41 1HG THR 41 15.137 3.761 0.430
159 1HG2 THR 41 1HG2 THR 41 14.760 6.943 -1.386
160 2HG2 THR 41 2HG2 THR 41 16.036 5.869 -0.812
161 3HG2 THR 41 3HG2 THR 41 15.208 6.939 0.320
162 H THR 42 H THR 42 11.110 5.082 -1.743
163 HA THR 42 HA THR 42 11.206 7.642 -3.201
164 HB THR 42 HB THR 42 12.178 5.846 -4.519
165 HG1 THR 42 1HG THR 42 11.166 7.085 -5.949
166 1HG2 THR 42 1HG2 THR 42 11.061 3.950 -3.453
167 2HG2 THR 42 2HG2 THR 42 10.848 3.904 -5.203
168 3HG2 THR 42 3HG2 THR 42 9.526 4.443 -4.168
169 H ALA 43 H ALA 43 9.280 5.770 -1.272
170 HA ALA 43 HA ALA 43 6.777 6.235 -2.641
171 1HB ALA 43 1HB ALA 43 7.143 4.178 -1.345
172 2HB ALA 43 2HB ALA 43 5.740 5.088 -0.782
173 3HB ALA 43 3HB ALA 43 7.249 5.142 0.128
174 HA PRO 44 HA PRO 44 6.150 9.224 1.145
175 1HB PRO 44 2HB PRO 44 8.437 10.172 2.302
176 2HB PRO 44 1HB PRO 44 7.531 8.785 2.917
177 1HG PRO 44 2HG PRO 44 9.986 8.842 1.211
178 2HG PRO 44 1HG PRO 44 9.603 7.793 2.589
179 1HD PRO 44 2HD PRO 44 9.370 6.948 0.043
180 2HD PRO 44 1HD PRO 44 8.266 6.400 1.320
181 1HN NH2 45 1H NH2 45 9.400 10.403 0.492
182 2HN NH2 45 2H NH2 45 8.928 11.702 -0.544
Start of MODEL 2
1 1H ACE 18 1HA ACE 18 -16.658 5.705 -1.121
2 2H ACE 18 2HA ACE 18 -16.043 4.761 0.181
3 3H ACE 18 3HA ACE 18 -17.661 4.523 -0.360
4 H LYS 19 H LYS 19 -14.771 4.920 -2.373
5 HA LYS 19 HA LYS 19 -14.746 2.107 -3.112
6 1HB LYS 19 2HB LYS 19 -15.352 4.329 -5.063
7 2HB LYS 19 1HB LYS 19 -14.775 2.747 -5.567
8 1HG LYS 19 2HG LYS 19 -16.741 1.707 -4.547
9 2HG LYS 19 1HG LYS 19 -17.323 3.301 -4.061
10 1HD LYS 19 2HD LYS 19 -17.493 3.981 -6.380
11 2HD LYS 19 1HD LYS 19 -16.806 2.444 -6.907
12 1HE LYS 19 2HE LYS 19 -19.237 2.467 -7.160
13 2HE LYS 19 1HE LYS 19 -18.722 1.255 -5.986
14 1HZ LYS 19 1HZ LYS 19 -20.639 2.480 -5.192
15 2HZ LYS 19 2HZ LYS 19 -19.806 3.945 -5.339
16 3HZ LYS 19 3HZ LYS 19 -19.298 2.795 -4.208
17 H ALA 20 H ALA 20 -13.446 5.312 -3.963
18 HA ALA 20 HA ALA 20 -10.903 4.239 -4.742
19 1HB ALA 20 1HB ALA 20 -10.233 6.571 -5.014
20 2HB ALA 20 2HB ALA 20 -11.721 7.096 -4.226
21 3HB ALA 20 3HB ALA 20 -11.792 6.265 -5.780
22 H ALA 21 H ALA 21 -12.317 4.702 -1.790
23 HA ALA 21 HA ALA 21 -9.688 4.863 -0.475
24 1HB ALA 21 1HB ALA 21 -12.189 6.237 0.497
25 2HB ALA 21 2HB ALA 21 -10.818 7.032 -0.276
26 3HB ALA 21 3HB ALA 21 -10.613 6.246 1.289
27 H VAL 22 H VAL 22 -11.944 2.792 -1.150
28 HA VAL 22 HA VAL 22 -11.905 1.547 1.518
29 HB VAL 22 HB VAL 22 -14.205 1.373 -0.433
30 1HG1 VAL 22 1HG1 VAL 22 -15.381 0.299 1.446
31 2HG1 VAL 22 2HG1 VAL 22 -13.887 0.343 2.383
32 3HG1 VAL 22 3HG1 VAL 22 -13.977 -0.627 0.913
33 1HG2 VAL 22 1HG2 VAL 22 -13.943 2.940 2.130
34 2HG2 VAL 22 2HG2 VAL 22 -15.443 2.718 1.229
35 3HG2 VAL 22 3HG2 VAL 22 -14.098 3.600 0.502
36 H SER 23 H SER 23 -11.520 1.233 -1.899
37 HA SER 23 HA SER 23 -10.936 -1.636 -1.556
38 1HB SER 23 2HB SER 23 -11.566 -2.001 -3.862
39 2HB SER 23 1HB SER 23 -12.879 -1.145 -3.056
40 HG SER 23 HG SER 23 -11.862 -0.418 -5.249
41 H HIS 24 H HIS 24 -9.586 1.362 -2.071
42 HA HIS 24 HA HIS 24 -7.327 0.268 -3.597
43 1HB HIS 24 2HB HIS 24 -8.307 3.086 -3.185
44 2HB HIS 24 1HB HIS 24 -6.705 2.740 -3.826
45 HD1 HIS 24 1HD HIS 24 -6.565 2.345 -6.307
46 HD2 HIS 24 2HD HIS 24 -10.441 2.021 -4.847
47 HE1 HIS 24 1HE HIS 24 -8.064 2.078 -8.326
48 H TRP 25 H TRP 25 -8.078 0.329 -0.541
49 HA TRP 25 HA TRP 25 -5.599 1.521 0.458
50 1HB TRP 25 2HB TRP 25 -6.564 1.238 2.694
51 2HB TRP 25 1HB TRP 25 -7.657 2.126 1.642
52 HD1 TRP 25 HD TRP 25 -8.179 -1.274 0.575
53 HE1 TRP 25 1HE TRP 25 -10.157 -2.376 1.802
54 HE3 TRP 25 3HE TRP 25 -8.689 2.046 4.423
55 HZ2 TRP 25 2HZ TRP 25 -11.727 -1.895 4.102
56 HZ3 TRP 25 3HZ TRP 25 -10.448 1.658 6.091
57 HH2 TRP 25 HH TRP 25 -11.938 -0.272 5.936
58 H GLN 26 H GLN 26 -6.662 -1.400 -0.655
59 HA GLN 26 HA GLN 26 -5.050 -3.000 1.190
60 1HB GLN 26 2HB GLN 26 -7.354 -3.745 0.550
61 2HB GLN 26 1HB GLN 26 -6.787 -3.929 -1.103
62 1HG GLN 26 2HG GLN 26 -6.514 -6.062 -0.435
63 2HG GLN 26 1HG GLN 26 -4.964 -5.435 0.118
64 1HE2 GLN 26 1HE2 GLN 26 -6.233 -3.935 2.312
65 2HE2 GLN 26 2HE2 GLN 26 -6.629 -5.112 3.511
66 H GLN 27 H GLN 27 -5.091 -1.771 -2.060
67 HA GLN 27 HA GLN 27 -2.945 -3.475 -2.962
68 1HB GLN 27 2HB GLN 27 -3.031 -2.108 -5.019
69 2HB GLN 27 1HB GLN 27 -4.597 -2.777 -4.579
70 1HG GLN 27 2HG GLN 27 -5.168 -0.586 -3.549
71 2HG GLN 27 1HG GLN 27 -3.655 0.052 -4.196
72 1HE2 GLN 27 1HE2 GLN 27 -6.749 -1.341 -5.030
73 2HE2 GLN 27 2HE2 GLN 27 -6.834 -0.685 -6.625
74 H GLN 28 H GLN 28 -2.918 -1.168 -0.779
75 HA GLN 28 HA GLN 28 -0.271 -0.169 -1.593
76 1HB GLN 28 2HB GLN 28 -0.792 1.951 -0.418
77 2HB GLN 28 1HB GLN 28 -1.836 1.665 -1.803
78 1HG GLN 28 2HG GLN 28 -3.575 0.822 -0.251
79 2HG GLN 28 1HG GLN 28 -2.532 1.275 1.097
80 1HE2 GLN 28 1HE2 GLN 28 -4.007 2.750 1.905
81 2HE2 GLN 28 2HE2 GLN 28 -4.328 4.261 1.131
82 H SER 29 H SER 29 -2.164 -1.781 0.692
83 HA SER 29 HA SER 29 -0.334 -1.249 2.903
84 1HB SER 29 2HB SER 29 -2.910 -2.827 2.749
85 2HB SER 29 1HB SER 29 -1.931 -2.682 4.208
86 HG SER 29 HG SER 29 -3.713 -1.137 3.952
87 H TYR 30 H TYR 30 -0.319 -3.240 0.304
88 HA TYR 30 HA TYR 30 1.022 -5.403 1.794
89 1HB TYR 30 2HB TYR 30 0.241 -6.988 0.289
90 2HB TYR 30 1HB TYR 30 -1.124 -5.883 0.385
91 HD1 TYR 30 1HD TYR 30 -1.346 -4.117 -1.465
92 HD2 TYR 30 2HD TYR 30 1.230 -7.489 -1.765
93 HE1 TYR 30 1HE TYR 30 -1.296 -3.851 -3.911
94 HE2 TYR 30 2HE TYR 30 1.293 -7.230 -4.210
95 HH TYR 30 HH TYR 30 -0.067 -6.238 -5.992
96 H LEU 31 H LEU 31 1.694 -2.743 0.074
97 HA LEU 31 HA LEU 31 3.782 -3.847 -1.617
98 1HB LEU 31 2HB LEU 31 3.022 -0.977 -1.063
99 2HB LEU 31 1HB LEU 31 4.182 -1.507 -2.266
100 HG LEU 31 HG LEU 31 1.240 -2.184 -2.294
101 1HD1 LEU 31 1HD1 LEU 31 1.606 0.186 -2.691
102 2HD1 LEU 31 2HD1 LEU 31 1.114 -0.626 -4.177
103 3HD1 LEU 31 3HD1 LEU 31 2.805 -0.191 -3.926
104 1HD2 LEU 31 1HD2 LEU 31 3.422 -2.662 -4.321
105 2HD2 LEU 31 2HD2 LEU 31 1.703 -2.964 -4.576
106 3HD2 LEU 31 3HD2 LEU 31 2.591 -3.891 -3.367
107 H ASP 32 H ASP 32 3.507 -3.185 1.585
108 HA ASP 32 HA ASP 32 6.331 -2.395 1.851
109 1HB ASP 32 2HB ASP 32 4.026 -2.090 3.786
110 2HB ASP 32 1HB ASP 32 5.701 -1.710 4.175
111 H SEP 33 H SEP 33 4.681 -5.098 1.662
112 HA SEP 33 HA SEP 33 6.018 -6.409 3.935
113 1HB SEP 33 1HB SEP 33 3.509 -7.084 2.416
114 2HB SEP 33 2HB SEP 33 4.355 -8.301 3.369
115 H GLY 34 H GLY 34 6.501 -5.805 0.784
116 1HA GLY 34 2HA GLY 34 7.993 -8.319 0.424
117 2HA GLY 34 1HA GLY 34 6.972 -7.713 -0.872
118 H ILE 35 H ILE 35 7.552 -4.955 -0.561
119 HA ILE 35 HA ILE 35 10.159 -4.906 -1.843
120 HB ILE 35 HB ILE 35 8.306 -2.569 -1.367
121 1HG1 ILE 35 2HG1 ILE 35 8.456 -4.374 -3.795
122 2HG1 ILE 35 1HG1 ILE 35 7.163 -4.402 -2.600
123 1HG2 ILE 35 1HG2 ILE 35 10.505 -3.009 -3.386
124 2HG2 ILE 35 2HG2 ILE 35 10.620 -2.003 -1.942
125 3HG2 ILE 35 3HG2 ILE 35 9.506 -1.563 -3.236
126 1HD1 ILE 35 1HD1 ILE 35 6.474 -3.185 -4.565
127 2HD1 ILE 35 2HD1 ILE 35 7.863 -2.109 -4.417
128 3HD1 ILE 35 3HD1 ILE 35 6.596 -2.089 -3.189
129 H HIS 36 H HIS 36 11.984 -4.094 -0.981
130 HA HIS 36 HA HIS 36 12.088 -3.597 1.829
131 1HB HIS 36 2HB HIS 36 14.280 -3.134 -0.197
132 2HB HIS 36 1HB HIS 36 14.466 -3.390 1.534
133 HD1 HIS 36 1HD HIS 36 13.946 -5.880 2.393
134 HD2 HIS 36 2HD HIS 36 14.203 -5.378 -1.721
135 HE1 HIS 36 1HE HIS 36 14.201 -8.198 1.412
136 H SEP 37 H SEP 37 10.929 -1.677 -0.466
137 HA SEP 37 HA SEP 37 10.505 0.545 -0.648
138 1HB SEP 37 1HB SEP 37 10.099 1.608 1.306
139 2HB SEP 37 2HB SEP 37 10.531 0.064 2.039
140 H GLY 38 H GLY 38 13.416 -0.738 -0.805
141 1HA GLY 38 2HA GLY 38 14.627 1.762 -1.715
142 2HA GLY 38 1HA GLY 38 15.491 0.853 -0.482
143 H ALA 39 H ALA 39 13.661 -0.922 -2.793
144 HA ALA 39 HA ALA 39 16.136 -1.994 -3.907
145 1HB ALA 39 1HB ALA 39 14.751 -3.795 -4.773
146 2HB ALA 39 2HB ALA 39 13.297 -2.955 -4.236
147 3HB ALA 39 3HB ALA 39 14.454 -3.558 -3.050
148 H THR 40 H THR 40 14.181 0.507 -4.641
149 HA THR 40 HA THR 40 14.295 0.087 -7.544
150 HB THR 40 HB THR 40 12.774 2.174 -5.972
151 HG1 THR 40 1HG THR 40 12.015 -0.080 -5.892
152 1HG2 THR 40 1HG2 THR 40 12.774 1.536 -8.925
153 2HG2 THR 40 2HG2 THR 40 13.386 3.009 -8.173
154 3HG2 THR 40 3HG2 THR 40 11.660 2.646 -8.127
155 H THR 41 H THR 41 14.989 2.527 -5.074
156 HA THR 41 HA THR 41 17.379 3.348 -6.469
157 HB THR 41 HB THR 41 15.358 5.516 -5.922
158 HG1 THR 41 1HG THR 41 15.110 5.390 -8.331
159 1HG2 THR 41 1HG2 THR 41 16.738 6.784 -7.490
160 2HG2 THR 41 2HG2 THR 41 17.769 5.374 -7.737
161 3HG2 THR 41 3HG2 THR 41 17.717 6.162 -6.161
162 H THR 42 H THR 42 16.878 2.118 -4.007
163 HA THR 42 HA THR 42 17.331 2.223 -1.784
164 HB THR 42 HB THR 42 19.201 3.604 -1.088
165 HG1 THR 42 1HG THR 42 19.552 5.460 -2.027
166 1HG2 THR 42 1HG2 THR 42 20.875 2.900 -2.743
167 2HG2 THR 42 2HG2 THR 42 19.582 2.536 -3.887
168 3HG2 THR 42 3HG2 THR 42 19.723 1.611 -2.391
169 H ALA 43 H ALA 43 15.063 3.798 -2.807
170 HA ALA 43 HA ALA 43 14.560 5.286 -0.390
171 1HB ALA 43 1HB ALA 43 14.087 7.419 -1.413
172 2HB ALA 43 2HB ALA 43 14.512 6.786 -3.001
173 3HB ALA 43 3HB ALA 43 15.751 6.947 -1.758
174 HA PRO 44 HA PRO 44 10.526 5.114 -3.155
175 1HB PRO 44 2HB PRO 44 11.319 3.059 -5.135
176 2HB PRO 44 1HB PRO 44 10.387 4.542 -5.363
177 1HG PRO 44 2HG PRO 44 12.901 4.344 -6.235
178 2HG PRO 44 1HG PRO 44 12.278 5.858 -5.554
179 1HD PRO 44 2HD PRO 44 14.046 3.797 -4.295
180 2HD PRO 44 1HD PRO 44 14.123 5.568 -4.186
181 1HN NH2 45 1H NH2 45 11.773 1.919 -3.988
182 2HN NH2 45 2H NH2 45 10.903 1.054 -2.772
Start of MODEL 3
1 1H ACE 18 1HA ACE 18 -16.836 6.293 0.985
2 2H ACE 18 2HA ACE 18 -17.205 5.583 2.510
3 3H ACE 18 3HA ACE 18 -18.468 5.896 1.381
4 H LYS 19 H LYS 19 -15.801 4.854 -0.318
5 HA LYS 19 HA LYS 19 -15.892 2.044 0.045
6 1HB LYS 19 2HB LYS 19 -16.978 1.414 -2.063
7 2HB LYS 19 1HB LYS 19 -18.089 2.267 -1.002
8 1HG LYS 19 2HG LYS 19 -17.840 4.289 -2.294
9 2HG LYS 19 1HG LYS 19 -16.617 3.522 -3.308
10 1HD LYS 19 2HD LYS 19 -18.303 1.877 -4.044
11 2HD LYS 19 1HD LYS 19 -19.517 2.721 -3.082
12 1HE LYS 19 2HE LYS 19 -17.943 3.907 -5.366
13 2HE LYS 19 1HE LYS 19 -19.614 3.355 -5.451
14 1HZ LYS 19 1HZ LYS 19 -19.450 5.758 -5.154
15 2HZ LYS 19 2HZ LYS 19 -18.623 5.537 -3.696
16 3HZ LYS 19 3HZ LYS 19 -20.230 5.030 -3.842
17 H ALA 20 H ALA 20 -15.171 4.780 -2.034
18 HA ALA 20 HA ALA 20 -13.131 3.348 -3.496
19 1HB ALA 20 1HB ALA 20 -12.751 5.449 -4.651
20 2HB ALA 20 2HB ALA 20 -13.788 6.292 -3.500
21 3HB ALA 20 3HB ALA 20 -14.477 5.088 -4.590
22 H ALA 21 H ALA 21 -13.289 4.672 -0.471
23 HA ALA 21 HA ALA 21 -10.368 5.034 -0.395
24 1HB ALA 21 1HB ALA 21 -12.368 6.732 1.090
25 2HB ALA 21 2HB ALA 21 -11.445 7.234 -0.326
26 3HB ALA 21 3HB ALA 21 -10.613 6.864 1.185
27 H VAL 22 H VAL 22 -12.701 3.061 0.495
28 HA VAL 22 HA VAL 22 -11.579 2.571 3.178
29 HB VAL 22 HB VAL 22 -14.323 1.739 2.233
30 1HG1 VAL 22 1HG1 VAL 22 -14.736 1.356 4.620
31 2HG1 VAL 22 2HG1 VAL 22 -13.066 1.800 4.974
32 3HG1 VAL 22 3HG1 VAL 22 -13.412 0.360 4.018
33 1HG2 VAL 22 1HG2 VAL 22 -15.201 3.564 3.602
34 2HG2 VAL 22 2HG2 VAL 22 -14.173 4.176 2.305
35 3HG2 VAL 22 3HG2 VAL 22 -13.556 4.094 3.956
36 H SER 23 H SER 23 -12.150 1.326 0.032
37 HA SER 23 HA SER 23 -11.235 -1.337 0.910
38 1HB SER 23 2HB SER 23 -12.427 -2.295 -0.998
39 2HB SER 23 1HB SER 23 -13.539 -1.373 0.012
40 HG SER 23 HG SER 23 -13.973 -0.691 -2.004
41 H HIS 24 H HIS 24 -10.056 1.344 -0.336
42 HA HIS 24 HA HIS 24 -8.400 -0.027 -2.350
43 1HB HIS 24 2HB HIS 24 -9.319 2.834 -2.157
44 2HB HIS 24 1HB HIS 24 -7.948 2.371 -3.159
45 HD1 HIS 24 1HD HIS 24 -9.526 3.290 -5.158
46 HD2 HIS 24 2HD HIS 24 -10.757 -0.207 -3.283
47 HE1 HIS 24 1HE HIS 24 -11.222 2.217 -6.697
48 H TRP 25 H TRP 25 -8.175 0.509 0.725
49 HA TRP 25 HA TRP 25 -5.576 1.854 0.710
50 1HB TRP 25 2HB TRP 25 -5.790 1.825 3.195
51 2HB TRP 25 1HB TRP 25 -7.061 2.725 2.377
52 HD1 TRP 25 HD TRP 25 -7.788 -0.918 2.164
53 HE1 TRP 25 1HE TRP 25 -9.551 -1.571 3.921
54 HE3 TRP 25 3HE TRP 25 -7.745 3.347 4.973
55 HZ2 TRP 25 2HZ TRP 25 -10.766 -0.425 6.201
56 HZ3 TRP 25 3HZ TRP 25 -9.235 3.491 6.923
57 HH2 TRP 25 HH TRP 25 -10.717 1.644 7.524
58 H GLN 26 H GLN 26 -6.793 -1.229 0.531
59 HA GLN 26 HA GLN 26 -4.544 -2.433 1.962
60 1HB GLN 26 2HB GLN 26 -5.777 -4.598 1.296
61 2HB GLN 26 1HB GLN 26 -6.495 -3.576 2.531
62 1HG GLN 26 2HG GLN 26 -8.231 -4.299 1.088
63 2HG GLN 26 1HG GLN 26 -7.952 -2.589 0.772
64 1HE2 GLN 26 1HE2 GLN 26 -5.737 -4.992 -0.386
65 2HE2 GLN 26 2HE2 GLN 26 -6.167 -4.883 -2.055
66 H GLN 27 H GLN 27 -5.606 -1.612 -1.168
67 HA GLN 27 HA GLN 27 -3.949 -3.506 -2.580
68 1HB GLN 27 2HB GLN 27 -4.689 -2.335 -4.586
69 2HB GLN 27 1HB GLN 27 -6.065 -2.672 -3.544
70 1HG GLN 27 2HG GLN 27 -5.786 -0.310 -2.661
71 2HG GLN 27 1HG GLN 27 -4.690 -0.048 -4.017
72 1HE2 GLN 27 1HE2 GLN 27 -7.545 -2.077 -4.095
73 2HE2 GLN 27 2HE2 GLN 27 -8.443 -1.101 -5.203
74 H GLN 28 H GLN 28 -2.986 -1.324 -0.624
75 HA GLN 28 HA GLN 28 -0.766 -0.382 -2.304
76 1HB GLN 28 2HB GLN 28 -0.798 1.752 -1.041
77 2HB GLN 28 1HB GLN 28 -2.270 1.501 -1.972
78 1HG GLN 28 2HG GLN 28 -3.436 0.769 0.033
79 2HG GLN 28 1HG GLN 28 -1.961 0.972 0.975
80 1HE2 GLN 28 1HE2 GLN 28 -4.613 2.556 -0.579
81 2HE2 GLN 28 2HE2 GLN 28 -4.327 4.130 0.070
82 H SER 29 H SER 29 -1.987 -1.368 0.811
83 HA SER 29 HA SER 29 0.596 -1.165 2.101
84 1HB SER 29 2HB SER 29 -2.098 -2.148 3.052
85 2HB SER 29 1HB SER 29 -0.650 -2.156 4.060
86 HG SER 29 HG SER 29 -2.179 -0.010 3.138
87 H TYR 30 H TYR 30 -0.319 -3.193 -0.146
88 HA TYR 30 HA TYR 30 0.807 -5.561 1.197
89 1HB TYR 30 2HB TYR 30 -0.542 -6.975 -0.052
90 2HB TYR 30 1HB TYR 30 -1.616 -5.603 0.203
91 HD1 TYR 30 1HD TYR 30 0.037 -7.673 -2.222
92 HD2 TYR 30 2HD TYR 30 -1.867 -3.908 -1.668
93 HE1 TYR 30 1HE TYR 30 -0.267 -7.475 -4.655
94 HE2 TYR 30 2HE TYR 30 -2.177 -3.701 -4.099
95 HH TYR 30 HH TYR 30 -1.755 -6.286 -6.236
96 H LEU 31 H LEU 31 1.413 -3.154 -1.014
97 HA LEU 31 HA LEU 31 2.928 -4.599 -2.951
98 1HB LEU 31 2HB LEU 31 3.058 -1.673 -2.215
99 2HB LEU 31 1HB LEU 31 3.735 -2.398 -3.661
100 HG LEU 31 HG LEU 31 0.790 -2.306 -2.999
101 1HD1 LEU 31 1HD1 LEU 31 0.630 -0.611 -4.724
102 2HD1 LEU 31 2HD1 LEU 31 2.374 -0.673 -4.977
103 3HD1 LEU 31 3HD1 LEU 31 1.726 -0.082 -3.447
104 1HD2 LEU 31 1HD2 LEU 31 2.241 -3.139 -5.510
105 2HD2 LEU 31 2HD2 LEU 31 0.492 -3.033 -5.313
106 3HD2 LEU 31 3HD2 LEU 31 1.414 -4.217 -4.386
107 H ASP 32 H ASP 32 3.477 -3.798 0.248
108 HA ASP 32 HA ASP 32 6.297 -3.355 0.157
109 1HB ASP 32 2HB ASP 32 4.918 -2.551 2.028
110 2HB ASP 32 1HB ASP 32 4.536 -4.214 2.465
111 H SEP 33 H SEP 33 4.622 -6.016 1.810
112 HA SEP 33 HA SEP 33 5.094 -8.220 2.049
113 1HB SEP 33 1HB SEP 33 4.700 -8.724 -0.163
114 2HB SEP 33 2HB SEP 33 5.978 -7.662 -0.747
115 H GLY 34 H GLY 34 8.032 -7.467 0.201
116 1HA GLY 34 2HA GLY 34 9.583 -8.082 2.640
117 2HA GLY 34 1HA GLY 34 10.070 -8.609 1.036
118 H ILE 35 H ILE 35 9.332 -6.093 -0.235
119 HA ILE 35 HA ILE 35 11.541 -4.436 0.784
120 HB ILE 35 HB ILE 35 11.594 -3.493 -1.571
121 1HG1 ILE 35 2HG1 ILE 35 10.077 -6.037 -2.193
122 2HG1 ILE 35 1HG1 ILE 35 9.363 -4.427 -2.225
123 1HG2 ILE 35 1HG2 ILE 35 13.272 -5.025 -0.655
124 2HG2 ILE 35 2HG2 ILE 35 13.014 -5.287 -2.380
125 3HG2 ILE 35 3HG2 ILE 35 12.309 -6.397 -1.204
126 1HD1 ILE 35 1HD1 ILE 35 10.926 -3.782 -3.993
127 2HD1 ILE 35 2HD1 ILE 35 9.933 -5.164 -4.457
128 3HD1 ILE 35 3HD1 ILE 35 11.611 -5.407 -3.971
129 H HIS 36 H HIS 36 11.132 -2.455 1.426
130 HA HIS 36 HA HIS 36 8.462 -1.478 1.577
131 1HB HIS 36 2HB HIS 36 11.015 0.047 2.123
132 2HB HIS 36 1HB HIS 36 9.408 0.410 2.742
133 HD1 HIS 36 1HD HIS 36 9.050 -0.370 5.083
134 HD2 HIS 36 2HD HIS 36 11.888 -2.658 3.084
135 HE1 HIS 36 1HE HIS 36 9.926 -2.043 6.765
136 H SEP 37 H SEP 37 10.404 -1.616 -1.015
137 HA SEP 37 HA SEP 37 10.481 -0.579 -3.034
138 1HB SEP 37 1HB SEP 37 7.996 -0.726 -2.809
139 2HB SEP 37 2HB SEP 37 8.003 0.891 -2.107
140 H GLY 38 H GLY 38 11.478 0.728 -0.416
141 1HA GLY 38 2HA GLY 38 11.702 3.497 -1.381
142 2HA GLY 38 1HA GLY 38 12.026 2.958 0.259
143 H ALA 39 H ALA 39 13.347 0.715 -1.765
144 HA ALA 39 HA ALA 39 16.021 1.690 -1.262
145 1HB ALA 39 1HB ALA 39 16.751 -0.459 -2.160
146 2HB ALA 39 2HB ALA 39 15.098 -0.822 -2.653
147 3HB ALA 39 3HB ALA 39 15.496 -0.674 -0.942
148 H THR 40 H THR 40 13.989 2.761 -3.391
149 HA THR 40 HA THR 40 15.859 2.727 -5.666
150 HB THR 40 HB THR 40 12.901 3.358 -5.707
151 HG1 THR 40 1HG THR 40 12.607 1.291 -6.086
152 1HG2 THR 40 1HG2 THR 40 14.134 4.515 -7.466
153 2HG2 THR 40 2HG2 THR 40 13.155 3.219 -8.152
154 3HG2 THR 40 3HG2 THR 40 14.893 2.999 -7.951
155 H THR 41 H THR 41 13.571 4.812 -3.927
156 HA THR 41 HA THR 41 15.403 7.052 -4.177
157 HB THR 41 HB THR 41 12.556 7.471 -5.075
158 HG1 THR 41 1HG THR 41 13.202 6.242 -6.726
159 1HG2 THR 41 1HG2 THR 41 15.114 9.031 -5.463
160 2HG2 THR 41 2HG2 THR 41 13.773 9.462 -4.403
161 3HG2 THR 41 3HG2 THR 41 13.550 9.464 -6.152
162 H THR 42 H THR 42 14.385 5.403 -2.023
163 HA THR 42 HA THR 42 13.686 5.629 0.130
164 HB THR 42 HB THR 42 13.396 8.599 -0.270
165 HG1 THR 42 1HG THR 42 15.679 8.693 0.208
166 1HG2 THR 42 1HG2 THR 42 12.739 7.669 1.899
167 2HG2 THR 42 2HG2 THR 42 14.184 8.667 2.053
168 3HG2 THR 42 3HG2 THR 42 14.322 6.910 2.059
169 H ALA 43 H ALA 43 11.842 5.837 -2.393
170 HA ALA 43 HA ALA 43 9.613 5.952 -2.855
171 1HB ALA 43 1HB ALA 43 9.367 5.245 0.066
172 2HB ALA 43 2HB ALA 43 9.624 4.099 -1.250
173 3HB ALA 43 3HB ALA 43 8.127 5.028 -1.169
174 HA PRO 44 HA PRO 44 9.198 10.253 -1.150
175 1HB PRO 44 2HB PRO 44 8.712 11.433 -3.551
176 2HB PRO 44 1HB PRO 44 10.340 11.168 -2.918
177 1HG PRO 44 2HG PRO 44 8.808 9.575 -4.932
178 2HG PRO 44 1HG PRO 44 10.519 10.044 -4.936
179 1HD PRO 44 2HD PRO 44 9.678 7.569 -4.208
180 2HD PRO 44 1HD PRO 44 11.121 8.336 -3.517
181 1HN NH2 45 1H NH2 45 7.307 10.004 -4.103
182 2HN NH2 45 2H NH2 45 5.758 10.002 -3.341
Start of MODEL 4
1 1H ACE 18 1HA ACE 18 -17.821 -2.571 -4.934
2 2H ACE 18 2HA ACE 18 -17.665 -1.933 -6.527
3 3H ACE 18 3HA ACE 18 -16.876 -1.153 -5.209
4 H LYS 19 H LYS 19 -14.845 -1.380 -6.421
5 HA LYS 19 HA LYS 19 -13.369 -3.713 -5.694
6 1HB LYS 19 2HB LYS 19 -14.732 -4.115 -7.975
7 2HB LYS 19 1HB LYS 19 -13.309 -3.326 -8.638
8 1HG LYS 19 2HG LYS 19 -13.198 -5.738 -6.846
9 2HG LYS 19 1HG LYS 19 -13.216 -5.817 -8.608
10 1HD LYS 19 2HD LYS 19 -11.163 -4.451 -8.662
11 2HD LYS 19 1HD LYS 19 -11.137 -4.452 -6.897
12 1HE LYS 19 2HE LYS 19 -10.985 -6.895 -8.661
13 2HE LYS 19 1HE LYS 19 -9.620 -6.136 -7.840
14 1HZ LYS 19 1HZ LYS 19 -10.459 -8.050 -6.617
15 2HZ LYS 19 2HZ LYS 19 -11.986 -7.332 -6.497
16 3HZ LYS 19 3HZ LYS 19 -10.658 -6.628 -5.721
17 H ALA 20 H ALA 20 -13.568 -0.786 -7.653
18 HA ALA 20 HA ALA 20 -10.681 -0.400 -7.507
19 1HB ALA 20 1HB ALA 20 -11.873 0.045 -9.621
20 2HB ALA 20 2HB ALA 20 -11.023 1.464 -9.008
21 3HB ALA 20 3HB ALA 20 -12.771 1.334 -8.818
22 H ALA 21 H ALA 21 -13.064 0.047 -5.395
23 HA ALA 21 HA ALA 21 -11.740 2.358 -4.171
24 1HB ALA 21 1HB ALA 21 -13.734 3.211 -5.318
25 2HB ALA 21 2HB ALA 21 -13.865 3.371 -3.567
26 3HB ALA 21 3HB ALA 21 -14.734 2.083 -4.401
27 H VAL 22 H VAL 22 -12.423 -0.753 -3.883
28 HA VAL 22 HA VAL 22 -12.581 -0.618 -0.961
29 HB VAL 22 HB VAL 22 -14.826 -1.164 -2.011
30 1HG1 VAL 22 1HG1 VAL 22 -13.452 -3.773 -2.634
31 2HG1 VAL 22 2HG1 VAL 22 -14.014 -2.590 -3.815
32 3HG1 VAL 22 3HG1 VAL 22 -15.176 -3.442 -2.799
33 1HG2 VAL 22 1HG2 VAL 22 -15.319 -2.940 -0.382
34 2HG2 VAL 22 2HG2 VAL 22 -14.348 -1.645 0.319
35 3HG2 VAL 22 3HG2 VAL 22 -13.589 -3.172 -0.129
36 H SER 23 H SER 23 -10.973 -1.666 -3.654
37 HA SER 23 HA SER 23 -9.573 -3.730 -2.101
38 1HB SER 23 2HB SER 23 -11.039 -4.872 -3.708
39 2HB SER 23 1HB SER 23 -10.315 -3.953 -5.028
40 HG SER 23 HG SER 23 -9.507 -6.215 -4.379
41 H HIS 24 H HIS 24 -9.374 -0.844 -3.656
42 HA HIS 24 HA HIS 24 -6.723 -1.222 -4.789
43 1HB HIS 24 2HB HIS 24 -6.912 0.986 -5.643
44 2HB HIS 24 1HB HIS 24 -8.506 0.263 -5.831
45 HD1 HIS 24 1HD HIS 24 -7.378 3.410 -5.215
46 HD2 HIS 24 2HD HIS 24 -9.824 0.903 -2.981
47 HE1 HIS 24 1HE HIS 24 -8.716 4.908 -3.679
48 H TRP 25 H TRP 25 -8.100 -0.426 -1.803
49 HA TRP 25 HA TRP 25 -5.926 1.242 -0.890
50 1HB TRP 25 2HB TRP 25 -7.092 1.106 1.318
51 2HB TRP 25 1HB TRP 25 -8.095 1.727 0.014
52 HD1 TRP 25 HD TRP 25 -7.792 -2.023 -0.033
53 HE1 TRP 25 1HE TRP 25 -9.975 -3.068 0.843
54 HE3 TRP 25 3HE TRP 25 -10.016 2.187 1.818
55 HZ2 TRP 25 2HZ TRP 25 -12.332 -2.217 2.146
56 HZ3 TRP 25 3HZ TRP 25 -12.231 1.988 2.862
57 HH2 TRP 25 HH TRP 25 -13.368 -0.168 3.023
58 H GLN 26 H GLN 26 -6.317 -2.005 -1.382
59 HA GLN 26 HA GLN 26 -4.614 -2.809 0.858
60 1HB GLN 26 2HB GLN 26 -6.256 -4.336 -1.150
61 2HB GLN 26 1HB GLN 26 -5.027 -5.140 -0.183
62 1HG GLN 26 2HG GLN 26 -7.053 -3.478 1.213
63 2HG GLN 26 1HG GLN 26 -7.545 -5.042 0.570
64 1HE2 GLN 26 1HE2 GLN 26 -4.303 -4.445 1.705
65 2HE2 GLN 26 2HE2 GLN 26 -4.409 -5.420 3.126
66 H GLN 27 H GLN 27 -4.386 -1.831 -2.338
67 HA GLN 27 HA GLN 27 -2.152 -3.461 -3.107
68 1HB GLN 27 2HB GLN 27 -3.367 -0.985 -4.331
69 2HB GLN 27 1HB GLN 27 -2.034 -1.881 -5.050
70 1HG GLN 27 2HG GLN 27 -3.378 -3.785 -5.407
71 2HG GLN 27 1HG GLN 27 -4.669 -3.153 -4.386
72 1HE2 GLN 27 1HE2 GLN 27 -6.182 -3.366 -6.009
73 2HE2 GLN 27 2HE2 GLN 27 -6.232 -2.308 -7.375
74 H GLN 28 H GLN 28 -2.433 -1.080 -0.914
75 HA GLN 28 HA GLN 28 0.337 -0.165 -1.325
76 1HB GLN 28 2HB GLN 28 -0.290 1.928 -0.177
77 2HB GLN 28 1HB GLN 28 -1.199 1.690 -1.663
78 1HG GLN 28 2HG GLN 28 -3.100 0.865 -0.345
79 2HG GLN 28 1HG GLN 28 -2.189 1.178 1.132
80 1HE2 GLN 28 1HE2 GLN 28 -4.729 2.285 0.226
81 2HE2 GLN 28 2HE2 GLN 28 -4.520 3.999 0.188
82 H SER 29 H SER 29 -1.810 -1.869 0.596
83 HA SER 29 HA SER 29 -0.528 -1.349 3.130
84 1HB SER 29 2HB SER 29 -2.928 -1.846 3.057
85 2HB SER 29 1HB SER 29 -2.588 -3.426 2.353
86 HG SER 29 HG SER 29 -2.006 -2.492 4.955
87 H TYR 30 H TYR 30 -0.045 -3.462 0.479
88 HA TYR 30 HA TYR 30 1.486 -5.350 2.107
89 1HB TYR 30 2HB TYR 30 1.418 -6.857 0.304
90 2HB TYR 30 1HB TYR 30 -0.169 -6.100 0.302
91 HD1 TYR 30 1HD TYR 30 3.001 -6.455 -1.488
92 HD2 TYR 30 2HD TYR 30 -0.812 -4.569 -1.492
93 HE1 TYR 30 1HE TYR 30 3.303 -5.864 -3.854
94 HE2 TYR 30 2HE TYR 30 -0.519 -3.973 -3.862
95 HH TYR 30 HH TYR 30 1.332 -3.629 -5.459
96 H LEU 31 H LEU 31 2.011 -2.492 0.573
97 HA LEU 31 HA LEU 31 4.553 -3.061 -0.641
98 1HB LEU 31 2HB LEU 31 3.300 -0.417 0.105
99 2HB LEU 31 1HB LEU 31 4.731 -0.618 -0.887
100 HG LEU 31 HG LEU 31 1.947 -1.546 -1.602
101 1HD1 LEU 31 1HD1 LEU 31 2.198 0.877 -1.690
102 2HD1 LEU 31 2HD1 LEU 31 2.057 0.195 -3.311
103 3HD1 LEU 31 3HD1 LEU 31 3.633 0.701 -2.701
104 1HD2 LEU 31 1HD2 LEU 31 4.542 -1.689 -3.134
105 2HD2 LEU 31 2HD2 LEU 31 2.949 -2.016 -3.814
106 3HD2 LEU 31 3HD2 LEU 31 3.589 -3.047 -2.535
107 H ASP 32 H ASP 32 3.567 -2.863 2.505
108 HA ASP 32 HA ASP 32 6.062 -1.675 3.475
109 1HB ASP 32 2HB ASP 32 3.945 -0.873 4.466
110 2HB ASP 32 1HB ASP 32 3.595 -2.509 5.016
111 H SEP 33 H SEP 33 4.418 -4.701 3.143
112 HA SEP 33 HA SEP 33 6.412 -6.026 4.846
113 1HB SEP 33 1HB SEP 33 3.604 -6.463 4.379
114 2HB SEP 33 2HB SEP 33 4.511 -7.916 3.965
115 H GLY 34 H GLY 34 8.161 -6.098 3.453
116 1HA GLY 34 2HA GLY 34 9.187 -7.906 2.105
117 2HA GLY 34 1HA GLY 34 7.782 -7.786 1.058
118 H ILE 35 H ILE 35 7.486 -5.162 0.606
119 HA ILE 35 HA ILE 35 8.172 -3.498 -0.758
120 HB ILE 35 HB ILE 35 10.825 -3.876 0.648
121 1HG1 ILE 35 2HG1 ILE 35 9.875 -1.778 1.902
122 2HG1 ILE 35 1HG1 ILE 35 8.316 -2.402 1.377
123 1HG2 ILE 35 1HG2 ILE 35 11.054 -2.561 -1.373
124 2HG2 ILE 35 2HG2 ILE 35 11.210 -1.520 0.042
125 3HG2 ILE 35 3HG2 ILE 35 9.709 -1.530 -0.884
126 1HD1 ILE 35 1HD1 ILE 35 8.896 -3.106 3.646
127 2HD1 ILE 35 2HD1 ILE 35 10.328 -3.921 3.019
128 3HD1 ILE 35 3HD1 ILE 35 8.721 -4.476 2.552
129 H HIS 36 H HIS 36 7.882 -5.120 -2.482
130 HA HIS 36 HA HIS 36 9.961 -6.587 -3.609
131 1HB HIS 36 2HB HIS 36 8.672 -6.547 -5.696
132 2HB HIS 36 1HB HIS 36 7.613 -6.826 -4.320
133 HD1 HIS 36 1HD HIS 36 7.520 -5.089 -7.340
134 HD2 HIS 36 2HD HIS 36 6.645 -4.018 -3.423
135 HE1 HIS 36 1HE HIS 36 5.977 -3.090 -7.479
136 H SEP 37 H SEP 37 9.454 -3.261 -3.369
137 HA SEP 37 HA SEP 37 10.586 -1.430 -4.052
138 1HB SEP 37 1HB SEP 37 12.402 -2.847 -3.031
139 2HB SEP 37 2HB SEP 37 12.831 -3.350 -4.668
140 H GLY 38 H GLY 38 8.994 -2.899 -5.997
141 1HA GLY 38 2HA GLY 38 10.398 -2.119 -8.476
142 2HA GLY 38 1HA GLY 38 9.201 -3.405 -8.389
143 H ALA 39 H ALA 39 7.984 -1.203 -6.377
144 HA ALA 39 HA ALA 39 6.142 -0.196 -8.380
145 1HB ALA 39 1HB ALA 39 5.282 -1.067 -6.265
146 2HB ALA 39 2HB ALA 39 4.852 0.629 -6.480
147 3HB ALA 39 3HB ALA 39 6.162 0.184 -5.388
148 H THR 40 H THR 40 9.080 0.779 -7.687
149 HA THR 40 HA THR 40 8.406 3.644 -7.663
150 HB THR 40 HB THR 40 10.986 2.341 -6.780
151 HG1 THR 40 1HG THR 40 10.115 2.328 -4.851
152 1HG2 THR 40 1HG2 THR 40 10.101 5.229 -6.677
153 2HG2 THR 40 2HG2 THR 40 11.353 4.565 -7.726
154 3HG2 THR 40 3HG2 THR 40 11.587 4.584 -5.979
155 H THR 41 H THR 41 10.722 1.294 -8.955
156 HA THR 41 HA THR 41 10.748 2.714 -11.495
157 HB THR 41 HB THR 41 13.297 2.522 -11.549
158 HG1 THR 41 1HG THR 41 13.642 2.895 -8.920
159 1HG2 THR 41 1HG2 THR 41 12.055 4.495 -9.626
160 2HG2 THR 41 2HG2 THR 41 12.136 4.672 -11.378
161 3HG2 THR 41 3HG2 THR 41 13.618 4.675 -10.423
162 H THR 42 H THR 42 9.684 0.220 -10.606
163 HA THR 42 HA THR 42 9.537 -1.968 -11.190
164 HB THR 42 HB THR 42 10.123 -2.603 -13.410
165 HG1 THR 42 1HG THR 42 11.696 -1.624 -14.576
166 1HG2 THR 42 1HG2 THR 42 9.452 0.341 -13.378
167 2HG2 THR 42 2HG2 THR 42 8.302 -0.991 -13.278
168 3HG2 THR 42 3HG2 THR 42 9.236 -0.742 -14.752
169 H ALA 43 H ALA 43 11.824 -1.010 -9.547
170 HA ALA 43 HA ALA 43 13.692 -1.843 -8.547
171 1HB ALA 43 1HB ALA 43 12.225 -3.773 -8.205
172 2HB ALA 43 2HB ALA 43 13.907 -4.261 -8.414
173 3HB ALA 43 3HB ALA 43 12.761 -4.451 -9.742
174 HA PRO 44 HA PRO 44 16.223 -1.535 -12.388
175 1HB PRO 44 2HB PRO 44 17.973 0.037 -10.622
176 2HB PRO 44 1HB PRO 44 17.253 0.482 -12.170
177 1HG PRO 44 2HG PRO 44 16.418 1.567 -9.859
178 2HG PRO 44 1HG PRO 44 15.304 1.241 -11.198
179 1HD PRO 44 2HD PRO 44 15.762 -0.332 -8.689
180 2HD PRO 44 1HD PRO 44 14.234 0.068 -9.505
181 1HN NH2 45 1H NH2 45 16.806 -3.740 -12.216
182 2HN NH2 45 2H NH2 45 18.219 -4.246 -11.361
Start of MODEL 5
1 1H ACE 18 1HA ACE 18 -17.222 2.065 -1.408
2 2H ACE 18 2HA ACE 18 -17.521 0.538 -0.670
3 3H ACE 18 3HA ACE 18 -18.407 1.000 -2.073
4 H LYS 19 H LYS 19 -15.415 2.150 -2.656
5 HA LYS 19 HA LYS 19 -13.951 -0.196 -3.353
6 1HB LYS 19 2HB LYS 19 -15.806 -0.032 -5.118
7 2HB LYS 19 1HB LYS 19 -14.964 1.395 -5.703
8 1HG LYS 19 2HG LYS 19 -13.457 -1.154 -5.376
9 2HG LYS 19 1HG LYS 19 -14.520 -0.943 -6.767
10 1HD LYS 19 2HD LYS 19 -13.313 1.088 -7.389
11 2HD LYS 19 1HD LYS 19 -12.264 0.903 -5.981
12 1HE LYS 19 2HE LYS 19 -11.197 0.097 -8.042
13 2HE LYS 19 1HE LYS 19 -11.411 -1.190 -6.856
14 1HZ LYS 19 1HZ LYS 19 -13.349 -1.949 -8.063
15 2HZ LYS 19 2HZ LYS 19 -12.009 -1.904 -9.094
16 3HZ LYS 19 3HZ LYS 19 -13.186 -0.693 -9.186
17 H ALA 20 H ALA 20 -14.492 3.247 -3.928
18 HA ALA 20 HA ALA 20 -11.698 3.723 -4.513
19 1HB ALA 20 1HB ALA 20 -13.440 5.009 -5.663
20 2HB ALA 20 2HB ALA 20 -12.351 6.058 -4.754
21 3HB ALA 20 3HB ALA 20 -13.954 5.688 -4.118
22 H ALA 21 H ALA 21 -13.261 3.054 -1.752
23 HA ALA 21 HA ALA 21 -11.284 4.480 -0.145
24 1HB ALA 21 1HB ALA 21 -13.257 5.927 -0.133
25 2HB ALA 21 2HB ALA 21 -12.942 5.248 1.463
26 3HB ALA 21 3HB ALA 21 -14.236 4.586 0.464
27 H VAL 22 H VAL 22 -12.587 1.649 -0.979
28 HA VAL 22 HA VAL 22 -11.966 0.445 1.626
29 HB VAL 22 HB VAL 22 -14.230 -0.608 -0.054
30 1HG1 VAL 22 1HG1 VAL 22 -14.914 -1.617 2.100
31 2HG1 VAL 22 2HG1 VAL 22 -13.455 -0.958 2.839
32 3HG1 VAL 22 3HG1 VAL 22 -13.327 -2.161 1.555
33 1HG2 VAL 22 1HG2 VAL 22 -14.826 1.676 0.510
34 2HG2 VAL 22 2HG2 VAL 22 -14.430 1.383 2.203
35 3HG2 VAL 22 3HG2 VAL 22 -15.791 0.544 1.459
36 H SER 23 H SER 23 -11.026 0.675 -1.436
37 HA SER 23 HA SER 23 -9.997 -2.071 -1.465
38 1HB SER 23 2HB SER 23 -11.913 -2.039 -2.998
39 2HB SER 23 1HB SER 23 -11.199 -0.685 -3.872
40 HG SER 23 HG SER 23 -9.654 -2.985 -3.544
41 H HIS 24 H HIS 24 -9.420 1.229 -1.730
42 HA HIS 24 HA HIS 24 -7.015 0.911 -3.351
43 1HB HIS 24 2HB HIS 24 -6.912 3.264 -3.483
44 2HB HIS 24 1HB HIS 24 -8.627 2.882 -3.583
45 HD1 HIS 24 1HD HIS 24 -6.666 5.363 -2.169
46 HD2 HIS 24 2HD HIS 24 -9.596 2.868 -0.607
47 HE1 HIS 24 1HE HIS 24 -7.530 6.504 -0.084
48 H TRP 25 H TRP 25 -7.843 0.532 -0.181
49 HA TRP 25 HA TRP 25 -5.318 1.555 0.879
50 1HB TRP 25 2HB TRP 25 -6.282 0.999 3.101
51 2HB TRP 25 1HB TRP 25 -7.266 2.129 2.186
52 HD1 TRP 25 HD TRP 25 -7.969 -1.198 0.793
53 HE1 TRP 25 1HE TRP 25 -10.124 -2.175 1.812
54 HE3 TRP 25 3HE TRP 25 -8.533 2.009 4.732
55 HZ2 TRP 25 2HZ TRP 25 -11.835 -1.653 4.001
56 HZ3 TRP 25 3HZ TRP 25 -10.449 1.705 6.238
57 HH2 TRP 25 HH TRP 25 -12.067 -0.090 5.882
58 H GLN 26 H GLN 26 -6.466 -1.227 -0.480
59 HA GLN 26 HA GLN 26 -4.783 -2.986 1.157
60 1HB GLN 26 2HB GLN 26 -6.979 -3.870 0.902
61 2HB GLN 26 1HB GLN 26 -6.993 -3.532 -0.822
62 1HG GLN 26 2HG GLN 26 -4.849 -5.330 0.031
63 2HG GLN 26 1HG GLN 26 -6.478 -5.951 0.304
64 1HE2 GLN 26 1HE2 GLN 26 -5.790 -3.725 -2.273
65 2HE2 GLN 26 2HE2 GLN 26 -5.974 -4.850 -3.567
66 H GLN 27 H GLN 27 -5.047 -1.485 -1.937
67 HA GLN 27 HA GLN 27 -3.111 -3.186 -3.233
68 1HB GLN 27 2HB GLN 27 -3.322 -1.631 -5.111
69 2HB GLN 27 1HB GLN 27 -4.904 -2.132 -4.527
70 1HG GLN 27 2HG GLN 27 -4.914 0.020 -3.175
71 2HG GLN 27 1HG GLN 27 -3.531 0.509 -4.152
72 1HE2 GLN 27 1HE2 GLN 27 -6.189 -1.436 -5.325
73 2HE2 GLN 27 2HE2 GLN 27 -6.833 -0.253 -6.405
74 H GLN 28 H GLN 28 -2.693 -1.236 -0.786
75 HA GLN 28 HA GLN 28 -0.015 -0.425 -1.647
76 1HB GLN 28 2HB GLN 28 -0.295 1.743 -0.442
77 2HB GLN 28 1HB GLN 28 -1.301 1.594 -1.875
78 1HG GLN 28 2HG GLN 28 -3.210 0.994 -0.442
79 2HG GLN 28 1HG GLN 28 -2.191 1.234 0.977
80 1HE2 GLN 28 1HE2 GLN 28 -3.517 2.867 1.766
81 2HE2 GLN 28 2HE2 GLN 28 -3.560 4.442 1.058
82 H SER 29 H SER 29 -2.001 -1.946 0.541
83 HA SER 29 HA SER 29 -0.363 -1.477 2.887
84 1HB SER 29 2HB SER 29 -2.784 -1.720 3.162
85 2HB SER 29 1HB SER 29 -2.713 -3.338 2.461
86 HG SER 29 HG SER 29 -0.956 -3.272 4.423
87 H TYR 30 H TYR 30 -0.238 -3.494 0.206
88 HA TYR 30 HA TYR 30 1.216 -5.588 1.668
89 1HB TYR 30 2HB TYR 30 0.796 -7.060 -0.133
90 2HB TYR 30 1HB TYR 30 -0.712 -6.183 0.098
91 HD1 TYR 30 1HD TYR 30 -1.097 -4.123 -1.429
92 HD2 TYR 30 2HD TYR 30 1.771 -7.158 -2.241
93 HE1 TYR 30 1HE TYR 30 -1.074 -3.459 -3.798
94 HE2 TYR 30 2HE TYR 30 1.804 -6.502 -4.611
95 HH TYR 30 HH TYR 30 0.436 -3.614 -5.740
96 H LEU 31 H LEU 31 1.748 -2.816 -0.080
97 HA LEU 31 HA LEU 31 4.209 -3.711 -1.351
98 1HB LEU 31 2HB LEU 31 2.845 -1.021 -1.269
99 2HB LEU 31 1HB LEU 31 4.348 -1.332 -2.116
100 HG LEU 31 HG LEU 31 1.740 -2.721 -2.732
101 1HD1 LEU 31 1HD1 LEU 31 1.540 -0.362 -3.234
102 2HD1 LEU 31 2HD1 LEU 31 1.687 -1.286 -4.730
103 3HD1 LEU 31 3HD1 LEU 31 3.072 -0.392 -4.106
104 1HD2 LEU 31 1HD2 LEU 31 2.909 -3.377 -4.798
105 2HD2 LEU 31 2HD2 LEU 31 3.681 -4.029 -3.353
106 3HD2 LEU 31 3HD2 LEU 31 4.386 -2.638 -4.178
107 H ASP 32 H ASP 32 3.486 -3.126 1.698
108 HA ASP 32 HA ASP 32 6.090 -1.873 2.264
109 1HB ASP 32 2HB ASP 32 4.137 -0.339 2.706
110 2HB ASP 32 1HB ASP 32 3.598 -1.481 3.932
111 H SEP 33 H SEP 33 4.739 -4.688 2.223
112 HA SEP 33 HA SEP 33 4.774 -5.692 4.850
113 1HB SEP 33 1HB SEP 33 4.056 -6.703 2.429
114 2HB SEP 33 2HB SEP 33 5.571 -7.561 2.708
115 H GLY 34 H GLY 34 7.313 -4.777 2.757
116 1HA GLY 34 2HA GLY 34 9.495 -4.513 3.882
117 2HA GLY 34 1HA GLY 34 9.256 -6.130 4.526
118 H ILE 35 H ILE 35 9.150 -4.566 1.326
119 HA ILE 35 HA ILE 35 10.971 -6.631 0.351
120 HB ILE 35 HB ILE 35 8.762 -5.573 -1.372
121 1HG1 ILE 35 2HG1 ILE 35 8.710 -8.058 0.356
122 2HG1 ILE 35 1HG1 ILE 35 7.716 -6.624 0.579
123 1HG2 ILE 35 1HG2 ILE 35 10.444 -8.073 -1.526
124 2HG2 ILE 35 2HG2 ILE 35 10.668 -6.614 -2.491
125 3HG2 ILE 35 3HG2 ILE 35 9.208 -7.584 -2.685
126 1HD1 ILE 35 1HD1 ILE 35 7.609 -8.510 -1.763
127 2HD1 ILE 35 2HD1 ILE 35 6.634 -7.053 -1.575
128 3HD1 ILE 35 3HD1 ILE 35 6.438 -8.397 -0.449
129 H HIS 36 H HIS 36 9.658 -3.485 -0.032
130 HA HIS 36 HA HIS 36 11.610 -2.622 -1.965
131 1HB HIS 36 2HB HIS 36 9.534 -1.115 -0.359
132 2HB HIS 36 1HB HIS 36 10.559 -0.377 -1.580
133 HD1 HIS 36 1HD HIS 36 9.679 -0.456 -3.948
134 HD2 HIS 36 2HD HIS 36 7.763 -3.143 -1.424
135 HE1 HIS 36 1HE HIS 36 7.776 -1.451 -5.284
136 H SEP 37 H SEP 37 12.859 -3.695 0.260
137 HA SEP 37 HA SEP 37 14.498 -3.277 1.784
138 1HB SEP 37 1HB SEP 37 14.639 -1.144 -0.137
139 2HB SEP 37 2HB SEP 37 15.031 -0.518 1.463
140 H GLY 38 H GLY 38 11.729 -2.967 2.424
141 1HA GLY 38 2HA GLY 38 10.428 -2.292 4.189
142 2HA GLY 38 1HA GLY 38 11.912 -1.749 4.972
143 H ALA 39 H ALA 39 10.515 -0.758 1.904
144 HA ALA 39 HA ALA 39 9.740 1.234 1.124
145 1HB ALA 39 1HB ALA 39 8.309 1.270 3.138
146 2HB ALA 39 2HB ALA 39 8.816 2.880 2.632
147 3HB ALA 39 3HB ALA 39 9.594 2.106 4.009
148 H THR 40 H THR 40 12.503 0.805 2.919
149 HA THR 40 HA THR 40 14.601 1.622 2.672
150 HB THR 40 HB THR 40 13.485 2.545 0.363
151 HG1 THR 40 1HG THR 40 15.822 1.978 1.225
152 1HG2 THR 40 1HG2 THR 40 12.932 4.728 1.485
153 2HG2 THR 40 2HG2 THR 40 13.971 4.875 0.069
154 3HG2 THR 40 3HG2 THR 40 14.665 4.993 1.685
155 H THR 41 H THR 41 12.082 2.809 4.163
156 HA THR 41 HA THR 41 13.381 4.099 6.229
157 HB THR 41 HB THR 41 12.155 6.464 5.479
158 HG1 THR 41 1HG THR 41 13.786 6.083 3.293
159 1HG2 THR 41 1HG2 THR 41 15.061 5.692 5.206
160 2HG2 THR 41 2HG2 THR 41 14.270 6.293 6.662
161 3HG2 THR 41 3HG2 THR 41 14.444 7.342 5.256
162 H THR 42 H THR 42 11.141 2.364 5.531
163 HA THR 42 HA THR 42 9.045 1.843 6.226
164 HB THR 42 HB THR 42 8.297 2.585 8.337
165 HG1 THR 42 1HG THR 42 9.128 4.526 9.288
166 1HG2 THR 42 1HG2 THR 42 10.295 2.490 9.758
167 2HG2 THR 42 2HG2 THR 42 11.311 2.788 8.347
168 3HG2 THR 42 3HG2 THR 42 10.370 1.300 8.458
169 H ALA 43 H ALA 43 9.701 4.397 4.493
170 HA ALA 43 HA ALA 43 8.567 6.021 3.377
171 1HB ALA 43 1HB ALA 43 6.346 5.383 2.577
172 2HB ALA 43 2HB ALA 43 6.299 4.071 3.755
173 3HB ALA 43 3HB ALA 43 7.491 4.046 2.455
174 HA PRO 44 HA PRO 44 6.889 7.962 7.244
175 1HB PRO 44 2HB PRO 44 8.321 10.290 6.127
176 2HB PRO 44 1HB PRO 44 8.404 9.593 7.746
177 1HG PRO 44 2HG PRO 44 10.425 9.331 6.011
178 2HG PRO 44 1HG PRO 44 9.994 8.028 7.134
179 1HD PRO 44 2HD PRO 44 9.360 8.306 4.219
180 2HD PRO 44 1HD PRO 44 9.871 6.868 5.128
181 1HN NH2 45 1H NH2 45 4.798 7.855 6.291
182 2HN NH2 45 2H NH2 45 4.160 9.170 5.368
Start of MODEL 6
1 1H ACE 18 1HA ACE 18 -18.099 -3.331 5.596
2 2H ACE 18 2HA ACE 18 -17.604 -2.015 4.601
3 3H ACE 18 3HA ACE 18 -16.549 -2.604 5.828
4 H LYS 19 H LYS 19 -16.487 -2.446 2.712
5 HA LYS 19 HA LYS 19 -14.910 -4.774 2.293
6 1HB LYS 19 2HB LYS 19 -17.112 -5.837 2.145
7 2HB LYS 19 1HB LYS 19 -17.601 -4.678 0.916
8 1HG LYS 19 2HG LYS 19 -17.030 -6.783 -0.110
9 2HG LYS 19 1HG LYS 19 -15.857 -5.551 -0.578
10 1HD LYS 19 2HD LYS 19 -14.267 -6.402 1.038
11 2HD LYS 19 1HD LYS 19 -15.450 -7.573 1.624
12 1HE LYS 19 2HE LYS 19 -14.324 -7.476 -1.172
13 2HE LYS 19 1HE LYS 19 -13.801 -8.580 0.098
14 1HZ LYS 19 1HZ LYS 19 -16.529 -8.451 -1.071
15 2HZ LYS 19 2HZ LYS 19 -16.037 -9.505 0.157
16 3HZ LYS 19 3HZ LYS 19 -15.370 -9.641 -1.392
17 H ALA 20 H ALA 20 -16.756 -2.129 0.877
18 HA ALA 20 HA ALA 20 -15.126 -2.012 -1.495
19 1HB ALA 20 1HB ALA 20 -16.442 -0.033 -2.051
20 2HB ALA 20 2HB ALA 20 -17.165 -0.053 -0.443
21 3HB ALA 20 3HB ALA 20 -17.484 -1.373 -1.569
22 H ALA 21 H ALA 21 -14.705 -1.032 1.669
23 HA ALA 21 HA ALA 21 -12.549 0.788 0.872
24 1HB ALA 21 1HB ALA 21 -13.131 2.360 2.657
25 2HB ALA 21 2HB ALA 21 -14.561 1.400 3.037
26 3HB ALA 21 3HB ALA 21 -14.434 2.213 1.477
27 H VAL 22 H VAL 22 -13.167 -2.010 2.173
28 HA VAL 22 HA VAL 22 -11.252 -1.719 4.396
29 HB VAL 22 HB VAL 22 -13.315 -3.900 4.062
30 1HG1 VAL 22 1HG1 VAL 22 -11.483 -3.197 6.352
31 2HG1 VAL 22 2HG1 VAL 22 -11.399 -4.635 5.334
32 3HG1 VAL 22 3HG1 VAL 22 -12.770 -4.401 6.419
33 1HG2 VAL 22 1HG2 VAL 22 -14.530 -2.799 5.883
34 2HG2 VAL 22 2HG2 VAL 22 -14.406 -1.762 4.462
35 3HG2 VAL 22 3HG2 VAL 22 -13.363 -1.477 5.856
36 H SER 23 H SER 23 -11.814 -3.068 1.331
37 HA SER 23 HA SER 23 -9.503 -4.871 1.657
38 1HB SER 23 2HB SER 23 -10.453 -6.337 -0.020
39 2HB SER 23 1HB SER 23 -11.659 -6.059 1.236
40 HG SER 23 HG SER 23 -12.156 -5.809 -1.203
41 H HIS 24 H HIS 24 -10.379 -1.995 0.446
42 HA HIS 24 HA HIS 24 -8.781 -2.251 -2.007
43 1HB HIS 24 2HB HIS 24 -10.789 -0.177 -1.124
44 2HB HIS 24 1HB HIS 24 -9.768 0.017 -2.545
45 HD1 HIS 24 1HD HIS 24 -10.770 -0.838 -4.674
46 HD2 HIS 24 2HD HIS 24 -12.443 -2.616 -1.314
47 HE1 HIS 24 1HE HIS 24 -12.634 -2.327 -5.513
48 H TRP 25 H TRP 25 -8.574 -1.220 1.179
49 HA TRP 25 HA TRP 25 -6.793 1.002 0.750
50 1HB TRP 25 2HB TRP 25 -6.551 1.031 3.179
51 2HB TRP 25 1HB TRP 25 -8.248 0.914 2.735
52 HD1 TRP 25 HD TRP 25 -7.256 -2.484 2.248
53 HE1 TRP 25 1HE TRP 25 -7.589 -3.915 4.363
54 HE3 TRP 25 3HE TRP 25 -7.738 1.258 5.695
55 HZ2 TRP 25 2HZ TRP 25 -8.004 -3.510 7.127
56 HZ3 TRP 25 3HZ TRP 25 -8.101 0.654 8.049
57 HH2 TRP 25 HH TRP 25 -8.232 -1.682 8.751
58 H GLN 26 H GLN 26 -6.502 -2.308 0.613
59 HA GLN 26 HA GLN 26 -3.733 -2.412 1.501
60 1HB GLN 26 2HB GLN 26 -5.024 -4.289 2.174
61 2HB GLN 26 1HB GLN 26 -5.711 -4.488 0.569
62 1HG GLN 26 2HG GLN 26 -2.798 -4.723 0.656
63 2HG GLN 26 1HG GLN 26 -3.655 -5.942 1.600
64 1HE2 GLN 26 1HE2 GLN 26 -5.067 -4.469 -1.212
65 2HE2 GLN 26 2HE2 GLN 26 -4.986 -5.857 -2.232
66 H GLN 27 H GLN 27 -5.485 -1.812 -1.324
67 HA GLN 27 HA GLN 27 -3.818 -2.935 -3.295
68 1HB GLN 27 2HB GLN 27 -5.461 -0.405 -3.502
69 2HB GLN 27 1HB GLN 27 -4.881 -1.387 -4.839
70 1HG GLN 27 2HG GLN 27 -6.889 -2.223 -2.760
71 2HG GLN 27 1HG GLN 27 -7.235 -1.779 -4.430
72 1HE2 GLN 27 1HE2 GLN 27 -7.776 -4.264 -3.008
73 2HE2 GLN 27 2HE2 GLN 27 -6.987 -5.512 -3.905
74 H GLN 28 H GLN 28 -3.135 -0.597 -1.040
75 HA GLN 28 HA GLN 28 -0.925 0.456 -2.674
76 1HB GLN 28 2HB GLN 28 -1.086 2.551 -1.337
77 2HB GLN 28 1HB GLN 28 -2.500 2.250 -2.338
78 1HG GLN 28 2HG GLN 28 -3.706 1.410 -0.392
79 2HG GLN 28 1HG GLN 28 -2.288 1.698 0.613
80 1HE2 GLN 28 1HE2 GLN 28 -3.418 3.113 1.945
81 2HE2 GLN 28 2HE2 GLN 28 -3.846 4.708 1.438
82 H SER 29 H SER 29 -1.794 -1.390 -0.062
83 HA SER 29 HA SER 29 0.678 -0.787 1.413
84 1HB SER 29 2HB SER 29 -1.352 -0.644 2.763
85 2HB SER 29 1HB SER 29 -1.793 -2.288 2.301
86 HG SER 29 HG SER 29 0.021 -3.041 3.401
87 H TYR 30 H TYR 30 -0.514 -2.914 -0.843
88 HA TYR 30 HA TYR 30 0.949 -5.226 0.180
89 1HB TYR 30 2HB TYR 30 -0.236 -6.539 -1.324
90 2HB TYR 30 1HB TYR 30 -1.403 -5.276 -0.950
91 HD1 TYR 30 1HD TYR 30 -1.326 -3.194 -2.595
92 HD2 TYR 30 2HD TYR 30 0.136 -7.077 -3.534
93 HE1 TYR 30 1HE TYR 30 -1.536 -2.689 -4.992
94 HE2 TYR 30 2HE TYR 30 -0.068 -6.580 -5.933
95 HH TYR 30 HH TYR 30 -0.572 -3.451 -7.126
96 H LEU 31 H LEU 31 1.574 -2.531 -1.647
97 HA LEU 31 HA LEU 31 3.519 -3.865 -3.376
98 1HB LEU 31 2HB LEU 31 3.777 -1.520 -4.334
99 2HB LEU 31 1HB LEU 31 2.260 -2.350 -4.626
100 HG LEU 31 HG LEU 31 1.351 -1.043 -2.616
101 1HD1 LEU 31 1HD1 LEU 31 3.844 0.553 -3.179
102 2HD1 LEU 31 2HD1 LEU 31 3.441 -0.285 -1.679
103 3HD1 LEU 31 3HD1 LEU 31 2.487 1.105 -2.197
104 1HD2 LEU 31 1HD2 LEU 31 0.701 -0.587 -4.913
105 2HD2 LEU 31 2HD2 LEU 31 2.137 0.413 -5.136
106 3HD2 LEU 31 3HD2 LEU 31 0.878 0.917 -4.008
107 H ASP 32 H ASP 32 3.393 -2.482 -0.363
108 HA ASP 32 HA ASP 32 6.261 -1.807 -0.450
109 1HB ASP 32 2HB ASP 32 5.855 -0.258 1.426
110 2HB ASP 32 1HB ASP 32 4.926 0.187 -0.003
111 H SEP 33 H SEP 33 4.063 -4.027 0.594
112 HA SEP 33 HA SEP 33 5.429 -4.637 3.104
113 1HB SEP 33 1HB SEP 33 2.963 -4.682 3.078
114 2HB SEP 33 2HB SEP 33 3.004 -5.936 1.840
115 H GLY 34 H GLY 34 5.646 -5.410 -0.147
116 1HA GLY 34 2HA GLY 34 6.737 -8.090 0.389
117 2HA GLY 34 1HA GLY 34 6.238 -7.492 -1.184
118 H ILE 35 H ILE 35 7.874 -5.051 0.329
119 HA ILE 35 HA ILE 35 10.482 -5.922 -0.721
120 HB ILE 35 HB ILE 35 10.861 -3.540 -1.439
121 1HG1 ILE 35 2HG1 ILE 35 7.851 -3.372 -1.157
122 2HG1 ILE 35 1HG1 ILE 35 9.005 -2.566 -0.100
123 1HG2 ILE 35 1HG2 ILE 35 8.650 -5.041 -2.835
124 2HG2 ILE 35 2HG2 ILE 35 10.378 -5.348 -3.015
125 3HG2 ILE 35 3HG2 ILE 35 9.693 -3.816 -3.558
126 1HD1 ILE 35 1HD1 ILE 35 8.113 -1.021 -1.728
127 2HD1 ILE 35 2HD1 ILE 35 8.643 -2.067 -3.045
128 3HD1 ILE 35 3HD1 ILE 35 9.834 -1.278 -2.011
129 H HIS 36 H HIS 36 9.158 -5.607 2.004
130 HA HIS 36 HA HIS 36 9.792 -5.057 4.116
131 1HB HIS 36 2HB HIS 36 12.479 -4.359 2.920
132 2HB HIS 36 1HB HIS 36 12.137 -4.792 4.592
133 HD1 HIS 36 1HD HIS 36 12.164 -7.274 5.163
134 HD2 HIS 36 2HD HIS 36 12.296 -6.527 1.077
135 HE1 HIS 36 1HE HIS 36 12.637 -9.495 4.050
136 H SEP 37 H SEP 37 9.264 -2.902 1.812
137 HA SEP 37 HA SEP 37 8.948 -0.652 1.696
138 1HB SEP 37 1HB SEP 37 7.746 -1.362 3.918
139 2HB SEP 37 2HB SEP 37 9.061 -0.474 4.687
140 H GLY 38 H GLY 38 11.736 -1.860 2.194
141 1HA GLY 38 2HA GLY 38 13.046 0.718 2.796
142 2HA GLY 38 1HA GLY 38 13.677 -0.803 3.406
143 H ALA 39 H ALA 39 12.567 -1.674 0.513
144 HA ALA 39 HA ALA 39 15.189 -1.627 -0.676
145 1HB ALA 39 1HB ALA 39 12.581 -2.670 -1.777
146 2HB ALA 39 2HB ALA 39 13.765 -3.606 -0.865
147 3HB ALA 39 3HB ALA 39 14.184 -2.963 -2.452
148 H THR 40 H THR 40 13.009 0.714 -0.422
149 HA THR 40 HA THR 40 13.551 1.786 -3.115
150 HB THR 40 HB THR 40 11.153 2.425 -1.384
151 HG1 THR 40 1HG THR 40 10.510 1.233 -3.685
152 1HG2 THR 40 1HG2 THR 40 10.293 3.483 -3.445
153 2HG2 THR 40 2HG2 THR 40 11.839 3.163 -4.233
154 3HG2 THR 40 3HG2 THR 40 11.762 4.261 -2.855
155 H THR 41 H THR 41 13.797 2.220 0.275
156 HA THR 41 HA THR 41 14.349 5.078 0.055
157 HB THR 41 HB THR 41 14.492 5.079 2.490
158 HG1 THR 41 1HG THR 41 14.725 3.274 3.594
159 1HG2 THR 41 1HG2 THR 41 12.188 4.380 3.016
160 2HG2 THR 41 2HG2 THR 41 12.102 3.538 1.468
161 3HG2 THR 41 3HG2 THR 41 12.274 5.293 1.510
162 H THR 42 H THR 42 15.996 2.041 0.397
163 HA THR 42 HA THR 42 18.520 3.349 1.076
164 HB THR 42 HB THR 42 19.444 1.089 1.284
165 HG1 THR 42 1HG THR 42 16.920 0.379 0.228
166 1HG2 THR 42 1HG2 THR 42 18.319 2.076 3.224
167 2HG2 THR 42 2HG2 THR 42 18.107 0.325 3.189
168 3HG2 THR 42 3HG2 THR 42 16.787 1.383 2.691
169 H ALA 43 H ALA 43 16.907 3.114 -1.652
170 HA ALA 43 HA ALA 43 18.603 1.822 -3.477
171 1HB ALA 43 1HB ALA 43 17.413 3.028 -5.209
172 2HB ALA 43 2HB ALA 43 16.751 4.140 -4.012
173 3HB ALA 43 3HB ALA 43 16.286 2.439 -3.988
174 HA PRO 44 HA PRO 44 20.459 6.339 -4.271
175 1HB PRO 44 2HB PRO 44 20.306 7.267 -1.447
176 2HB PRO 44 1HB PRO 44 20.134 8.187 -2.945
177 1HG PRO 44 2HG PRO 44 18.007 7.582 -1.468
178 2HG PRO 44 1HG PRO 44 17.927 7.542 -3.241
179 1HD PRO 44 2HD PRO 44 18.117 5.282 -1.296
180 2HD PRO 44 1HD PRO 44 17.215 5.387 -2.821
181 1HN NH2 45 1H NH2 45 21.149 5.958 -0.828
182 2HN NH2 45 2H NH2 45 22.745 5.328 -1.027
Start of MODEL 7
1 1H ACE 18 1HA ACE 18 -17.266 5.252 0.873
2 2H ACE 18 2HA ACE 18 -16.752 4.413 2.286
3 3H ACE 18 3HA ACE 18 -18.353 4.188 1.690
4 H LYS 19 H LYS 19 -15.927 4.423 -0.718
5 HA LYS 19 HA LYS 19 -15.520 1.537 -0.906
6 1HB LYS 19 2HB LYS 19 -16.726 3.224 -3.105
7 2HB LYS 19 1HB LYS 19 -16.088 1.605 -3.350
8 1HG LYS 19 2HG LYS 19 -18.342 2.297 -1.478
9 2HG LYS 19 1HG LYS 19 -18.540 1.662 -3.112
10 1HD LYS 19 2HD LYS 19 -17.033 0.257 -0.908
11 2HD LYS 19 1HD LYS 19 -18.718 -0.065 -1.323
12 1HE LYS 19 2HE LYS 19 -16.317 -0.426 -3.116
13 2HE LYS 19 1HE LYS 19 -17.276 -1.705 -2.373
14 1HZ LYS 19 1HZ LYS 19 -19.180 -0.987 -3.668
15 2HZ LYS 19 2HZ LYS 19 -17.883 -1.361 -4.687
16 3HZ LYS 19 3HZ LYS 19 -18.272 0.255 -4.371
17 H ALA 20 H ALA 20 -14.923 4.600 -2.627
18 HA ALA 20 HA ALA 20 -12.344 3.710 -3.546
19 1HB ALA 20 1HB ALA 20 -13.603 6.450 -3.675
20 2HB ALA 20 2HB ALA 20 -13.731 5.199 -4.911
21 3HB ALA 20 3HB ALA 20 -12.164 5.924 -4.549
22 H ALA 21 H ALA 21 -13.435 4.761 -0.620
23 HA ALA 21 HA ALA 21 -10.763 5.753 0.119
24 1HB ALA 21 1HB ALA 21 -11.782 7.337 1.671
25 2HB ALA 21 2HB ALA 21 -13.386 6.834 1.139
26 3HB ALA 21 3HB ALA 21 -12.298 7.647 0.015
27 H VAL 22 H VAL 22 -12.531 3.177 0.381
28 HA VAL 22 HA VAL 22 -11.738 2.667 3.159
29 HB VAL 22 HB VAL 22 -14.409 1.789 2.055
30 1HG1 VAL 22 1HG1 VAL 22 -13.547 0.293 3.746
31 2HG1 VAL 22 2HG1 VAL 22 -14.882 1.232 4.415
32 3HG1 VAL 22 3HG1 VAL 22 -13.218 1.650 4.822
33 1HG2 VAL 22 1HG2 VAL 22 -13.796 4.037 3.971
34 2HG2 VAL 22 2HG2 VAL 22 -15.408 3.451 3.557
35 3HG2 VAL 22 3HG2 VAL 22 -14.400 4.207 2.322
36 H SER 23 H SER 23 -11.851 1.698 -0.069
37 HA SER 23 HA SER 23 -11.027 -1.031 0.678
38 1HB SER 23 2HB SER 23 -13.220 -1.043 -0.446
39 2HB SER 23 1HB SER 23 -12.512 -0.205 -1.827
40 HG SER 23 HG SER 23 -12.011 -2.109 -2.529
41 H HIS 24 H HIS 24 -9.826 1.788 -0.310
42 HA HIS 24 HA HIS 24 -8.069 0.701 -2.384
43 1HB HIS 24 2HB HIS 24 -7.467 2.946 -2.902
44 2HB HIS 24 1HB HIS 24 -9.212 2.943 -2.666
45 HD1 HIS 24 1HD HIS 24 -6.683 5.167 -2.066
46 HD2 HIS 24 2HD HIS 24 -9.474 3.419 0.467
47 HE1 HIS 24 1HE HIS 24 -6.865 6.686 -0.052
48 H TRP 25 H TRP 25 -8.120 0.862 0.893
49 HA TRP 25 HA TRP 25 -5.349 1.588 1.310
50 1HB TRP 25 2HB TRP 25 -5.819 1.049 3.692
51 2HB TRP 25 1HB TRP 25 -6.926 2.239 3.022
52 HD1 TRP 25 HD TRP 25 -8.010 -1.105 1.863
53 HE1 TRP 25 1HE TRP 25 -9.961 -1.964 3.308
54 HE3 TRP 25 3HE TRP 25 -7.707 2.243 5.713
55 HZ2 TRP 25 2HZ TRP 25 -11.206 -1.307 5.761
56 HZ3 TRP 25 3HZ TRP 25 -9.308 2.060 7.566
57 HH2 TRP 25 HH TRP 25 -11.024 0.322 7.590
58 H GLN 26 H GLN 26 -6.864 -1.087 0.181
59 HA GLN 26 HA GLN 26 -5.038 -2.986 1.462
60 1HB GLN 26 2HB GLN 26 -7.252 -3.794 1.513
61 2HB GLN 26 1HB GLN 26 -7.562 -3.305 -0.145
62 1HG GLN 26 2HG GLN 26 -5.405 -5.260 0.147
63 2HG GLN 26 1HG GLN 26 -6.989 -5.833 0.669
64 1HE2 GLN 26 1HE2 GLN 26 -6.639 -3.417 -1.803
65 2HE2 GLN 26 2HE2 GLN 26 -7.132 -4.408 -3.126
66 H GLN 27 H GLN 27 -5.649 -1.362 -1.536
67 HA GLN 27 HA GLN 27 -3.932 -3.127 -3.065
68 1HB GLN 27 2HB GLN 27 -4.384 -1.581 -4.933
69 2HB GLN 27 1HB GLN 27 -5.856 -2.188 -4.188
70 1HG GLN 27 2HG GLN 27 -6.001 -0.071 -2.897
71 2HG GLN 27 1HG GLN 27 -4.625 0.529 -3.823
72 1HE2 GLN 27 1HE2 GLN 27 -7.938 -0.556 -4.012
73 2HE2 GLN 27 2HE2 GLN 27 -8.320 0.235 -5.497
74 H GLN 28 H GLN 28 -3.218 -1.032 -0.780
75 HA GLN 28 HA GLN 28 -0.773 -0.110 -2.136
76 1HB GLN 28 2HB GLN 28 -0.832 1.927 -0.742
77 2HB GLN 28 1HB GLN 28 -2.218 1.814 -1.818
78 1HG GLN 28 2HG GLN 28 -3.603 1.041 0.026
79 2HG GLN 28 1HG GLN 28 -2.215 1.110 1.109
80 1HE2 GLN 28 1HE2 GLN 28 -3.199 2.591 2.469
81 2HE2 GLN 28 2HE2 GLN 28 -3.432 4.245 2.027
82 H SER 29 H SER 29 -2.196 -1.767 0.456
83 HA SER 29 HA SER 29 0.091 -1.503 2.223
84 1HB SER 29 2HB SER 29 -2.462 -3.108 2.448
85 2HB SER 29 1HB SER 29 -1.199 -3.087 3.678
86 HG SER 29 HG SER 29 -2.238 -0.654 2.764
87 H TYR 30 H TYR 30 -0.675 -3.351 -0.453
88 HA TYR 30 HA TYR 30 0.933 -5.627 0.467
89 1HB TYR 30 2HB TYR 30 -0.079 -6.958 -1.163
90 2HB TYR 30 1HB TYR 30 -1.391 -5.911 -0.638
91 HD1 TYR 30 1HD TYR 30 -2.192 -4.098 -2.106
92 HD2 TYR 30 2HD TYR 30 0.803 -6.832 -3.392
93 HE1 TYR 30 1HE TYR 30 -2.578 -3.415 -4.439
94 HE2 TYR 30 2HE TYR 30 0.430 -6.154 -5.724
95 HH TYR 30 HH TYR 30 -1.353 -5.144 -7.086
96 H LEU 31 H LEU 31 1.219 -2.775 -1.217
97 HA LEU 31 HA LEU 31 3.053 -3.594 -3.253
98 1HB LEU 31 2HB LEU 31 2.494 -0.877 -2.060
99 2HB LEU 31 1HB LEU 31 3.526 -1.156 -3.450
100 HG LEU 31 HG LEU 31 0.582 -1.819 -3.348
101 1HD1 LEU 31 1HD1 LEU 31 0.938 0.587 -3.243
102 2HD1 LEU 31 2HD1 LEU 31 0.298 0.117 -4.818
103 3HD1 LEU 31 3HD1 LEU 31 2.010 0.501 -4.641
104 1HD2 LEU 31 1HD2 LEU 31 0.819 -2.091 -5.770
105 2HD2 LEU 31 2HD2 LEU 31 1.839 -3.228 -4.888
106 3HD2 LEU 31 3HD2 LEU 31 2.553 -1.798 -5.631
107 H ASP 32 H ASP 32 3.300 -3.378 0.050
108 HA ASP 32 HA ASP 32 6.203 -3.525 -0.083
109 1HB ASP 32 2HB ASP 32 5.784 -1.151 0.335
110 2HB ASP 32 1HB ASP 32 4.755 -1.558 1.705
111 H SEP 33 H SEP 33 6.034 -5.677 0.494
112 HA SEP 33 HA SEP 33 4.577 -6.461 2.862
113 1HB SEP 33 1HB SEP 33 4.503 -8.172 1.310
114 2HB SEP 33 2HB SEP 33 6.144 -7.872 0.745
115 H GLY 34 H GLY 34 7.617 -5.178 2.209
116 1HA GLY 34 2HA GLY 34 8.638 -4.704 4.566
117 2HA GLY 34 1HA GLY 34 8.874 -6.445 4.535
118 H ILE 35 H ILE 35 9.259 -6.066 1.491
119 HA ILE 35 HA ILE 35 12.095 -5.304 1.684
120 HB ILE 35 HB ILE 35 12.402 -6.717 -0.369
121 1HG1 ILE 35 2HG1 ILE 35 9.633 -7.712 0.350
122 2HG1 ILE 35 1HG1 ILE 35 10.007 -6.712 -1.049
123 1HG2 ILE 35 1HG2 ILE 35 11.360 -8.152 2.068
124 2HG2 ILE 35 2HG2 ILE 35 12.975 -7.462 1.905
125 3HG2 ILE 35 3HG2 ILE 35 12.477 -8.797 0.865
126 1HD1 ILE 35 1HD1 ILE 35 11.015 -9.499 -0.531
127 2HD1 ILE 35 2HD1 ILE 35 11.445 -8.498 -1.919
128 3HD1 ILE 35 3HD1 ILE 35 9.776 -9.026 -1.693
129 H HIS 36 H HIS 36 9.373 -3.941 0.864
130 HA HIS 36 HA HIS 36 8.723 -2.252 -0.509
131 1HB HIS 36 2HB HIS 36 11.659 -1.932 -1.146
132 2HB HIS 36 1HB HIS 36 10.404 -0.702 -1.245
133 HD1 HIS 36 1HD HIS 36 10.175 0.768 0.779
134 HD2 HIS 36 2HD HIS 36 12.132 -2.803 1.619
135 HE1 HIS 36 1HE HIS 36 10.949 0.930 3.182
136 H SEP 37 H SEP 37 9.598 -5.070 -1.608
137 HA SEP 37 HA SEP 37 9.541 -6.174 -3.597
138 1HB SEP 37 1HB SEP 37 7.413 -4.461 -3.587
139 2HB SEP 37 2HB SEP 37 8.223 -3.999 -5.083
140 H GLY 38 H GLY 38 11.735 -4.219 -3.045
141 1HA GLY 38 2HA GLY 38 12.623 -3.891 -5.843
142 2HA GLY 38 1HA GLY 38 12.916 -2.651 -4.634
143 H ALA 39 H ALA 39 13.165 -5.610 -3.150
144 HA ALA 39 HA ALA 39 16.094 -5.513 -3.350
145 1HB ALA 39 1HB ALA 39 15.173 -5.261 -1.105
146 2HB ALA 39 2HB ALA 39 16.111 -6.749 -1.240
147 3HB ALA 39 3HB ALA 39 14.348 -6.812 -1.261
148 H THR 40 H THR 40 13.972 -6.922 -5.115
149 HA THR 40 HA THR 40 15.423 -9.472 -5.246
150 HB THR 40 HB THR 40 13.317 -9.948 -4.098
151 HG1 THR 40 1HG THR 40 13.289 -11.732 -5.223
152 1HG2 THR 40 1HG2 THR 40 12.009 -8.065 -4.993
153 2HG2 THR 40 2HG2 THR 40 11.168 -9.602 -5.194
154 3HG2 THR 40 3HG2 THR 40 11.974 -8.851 -6.571
155 H THR 41 H THR 41 14.711 -6.716 -6.763
156 HA THR 41 HA THR 41 14.708 -7.983 -9.424
157 HB THR 41 HB THR 41 13.435 -5.328 -8.730
158 HG1 THR 41 1HG THR 41 11.478 -6.572 -9.251
159 1HG2 THR 41 1HG2 THR 41 14.280 -5.427 -11.022
160 2HG2 THR 41 2HG2 THR 41 12.517 -5.452 -11.004
161 3HG2 THR 41 3HG2 THR 41 13.417 -6.942 -11.284
162 H THR 42 H THR 42 15.642 -5.116 -7.553
163 HA THR 42 HA THR 42 18.015 -4.871 -9.267
164 HB THR 42 HB THR 42 16.680 -3.118 -10.095
165 HG1 THR 42 1HG THR 42 17.883 -1.434 -8.315
166 1HG2 THR 42 1HG2 THR 42 15.475 -1.523 -8.710
167 2HG2 THR 42 2HG2 THR 42 16.069 -2.310 -7.249
168 3HG2 THR 42 3HG2 THR 42 14.963 -3.165 -8.323
169 H ALA 43 H ALA 43 19.233 -5.883 -7.642
170 HA ALA 43 HA ALA 43 20.369 -4.135 -5.734
171 1HB ALA 43 1HB ALA 43 18.618 -6.303 -4.577
172 2HB ALA 43 2HB ALA 43 18.311 -4.569 -4.504
173 3HB ALA 43 3HB ALA 43 19.704 -5.254 -3.668
174 HA PRO 44 HA PRO 44 22.263 -8.630 -5.278
175 1HB PRO 44 2HB PRO 44 21.093 -9.943 -7.661
176 2HB PRO 44 1HB PRO 44 21.366 -10.589 -6.040
177 1HG PRO 44 2HG PRO 44 18.909 -9.992 -6.895
178 2HG PRO 44 1HG PRO 44 19.395 -9.705 -5.213
179 1HD PRO 44 2HD PRO 44 19.123 -7.757 -7.469
180 2HD PRO 44 1HD PRO 44 18.679 -7.572 -5.761
181 1HN NH2 45 1H NH2 45 23.993 -7.308 -5.938
182 2HN NH2 45 2H NH2 45 24.616 -7.345 -7.549
Start of MODEL 8
1 1H ACE 18 1HA ACE 18 -19.759 2.496 1.161
2 2H ACE 18 2HA ACE 18 -18.971 3.495 0.000
3 3H ACE 18 3HA ACE 18 -18.109 2.949 1.388
4 H LYS 19 H LYS 19 -17.123 2.506 -1.219
5 HA LYS 19 HA LYS 19 -16.628 -0.280 -1.190
6 1HB LYS 19 2HB LYS 19 -18.851 -0.446 -2.159
7 2HB LYS 19 1HB LYS 19 -18.438 0.741 -3.388
8 1HG LYS 19 2HG LYS 19 -18.403 -1.485 -4.323
9 2HG LYS 19 1HG LYS 19 -16.775 -0.806 -4.313
10 1HD LYS 19 2HD LYS 19 -16.578 -3.058 -3.590
11 2HD LYS 19 1HD LYS 19 -16.392 -2.051 -2.154
12 1HE LYS 19 2HE LYS 19 -17.823 -3.964 -1.690
13 2HE LYS 19 1HE LYS 19 -18.731 -2.457 -1.564
14 1HZ LYS 19 1HZ LYS 19 -19.982 -4.145 -2.750
15 2HZ LYS 19 2HZ LYS 19 -18.748 -4.298 -3.896
16 3HZ LYS 19 3HZ LYS 19 -19.618 -2.853 -3.779
17 H ALA 20 H ALA 20 -16.548 2.775 -2.901
18 HA ALA 20 HA ALA 20 -14.238 1.937 -4.473
19 1HB ALA 20 1HB ALA 20 -15.727 4.561 -4.458
20 2HB ALA 20 2HB ALA 20 -15.987 3.231 -5.586
21 3HB ALA 20 3HB ALA 20 -14.452 4.098 -5.585
22 H ALA 21 H ALA 21 -14.629 2.878 -1.406
23 HA ALA 21 HA ALA 21 -11.971 4.104 -1.319
24 1HB ALA 21 1HB ALA 21 -12.699 5.813 0.257
25 2HB ALA 21 2HB ALA 21 -14.363 5.243 0.123
26 3HB ALA 21 3HB ALA 21 -13.560 5.961 -1.275
27 H VAL 22 H VAL 22 -13.791 1.623 -0.387
28 HA VAL 22 HA VAL 22 -12.476 1.425 2.244
29 HB VAL 22 HB VAL 22 -14.962 1.645 2.387
30 1HG1 VAL 22 1HG1 VAL 22 -15.538 0.441 0.343
31 2HG1 VAL 22 2HG1 VAL 22 -16.358 -0.245 1.746
32 3HG1 VAL 22 3HG1 VAL 22 -14.952 -1.062 1.059
33 1HG2 VAL 22 1HG2 VAL 22 -13.825 -0.980 3.344
34 2HG2 VAL 22 2HG2 VAL 22 -15.261 -0.180 3.983
35 3HG2 VAL 22 3HG2 VAL 22 -13.676 0.573 4.165
36 H SER 23 H SER 23 -12.855 0.088 -0.853
37 HA SER 23 HA SER 23 -11.577 -2.418 0.033
38 1HB SER 23 2HB SER 23 -12.581 -3.555 -1.846
39 2HB SER 23 1HB SER 23 -13.855 -2.703 -0.972
40 HG SER 23 HG SER 23 -13.109 -2.440 -3.530
41 H HIS 24 H HIS 24 -10.999 0.463 -1.438
42 HA HIS 24 HA HIS 24 -9.099 -0.592 -3.394
43 1HB HIS 24 2HB HIS 24 -10.249 2.142 -2.892
44 2HB HIS 24 1HB HIS 24 -8.830 1.921 -3.911
45 HD1 HIS 24 1HD HIS 24 -9.345 1.559 -6.329
46 HD2 HIS 24 2HD HIS 24 -12.515 0.489 -3.866
47 HE1 HIS 24 1HE HIS 24 -11.245 0.897 -7.863
48 H TRP 25 H TRP 25 -8.915 -0.340 -0.271
49 HA TRP 25 HA TRP 25 -6.336 1.063 -0.198
50 1HB TRP 25 2HB TRP 25 -6.609 1.150 2.237
51 2HB TRP 25 1HB TRP 25 -7.982 1.878 1.419
52 HD1 TRP 25 HD TRP 25 -8.627 -1.676 1.132
53 HE1 TRP 25 1HE TRP 25 -10.159 -2.517 3.023
54 HE3 TRP 25 3HE TRP 25 -8.263 2.314 4.301
55 HZ2 TRP 25 2HZ TRP 25 -11.094 -1.604 5.525
56 HZ3 TRP 25 3HZ TRP 25 -9.507 2.256 6.418
57 HH2 TRP 25 HH TRP 25 -10.895 0.338 7.019
58 H GLN 26 H GLN 26 -7.531 -1.961 -0.580
59 HA GLN 26 HA GLN 26 -5.578 -3.360 1.057
60 1HB GLN 26 2HB GLN 26 -7.915 -4.213 0.717
61 2HB GLN 26 1HB GLN 26 -7.511 -4.497 -0.970
62 1HG GLN 26 2HG GLN 26 -7.328 -6.560 0.200
63 2HG GLN 26 1HG GLN 26 -5.703 -6.024 -0.224
64 1HE2 GLN 26 1HE2 GLN 26 -4.309 -5.332 1.400
65 2HE2 GLN 26 2HE2 GLN 26 -4.606 -5.661 3.069
66 H GLN 27 H GLN 27 -6.002 -2.270 -2.200
67 HA GLN 27 HA GLN 27 -3.875 -3.944 -3.242
68 1HB GLN 27 2HB GLN 27 -4.334 -2.824 -5.387
69 2HB GLN 27 1HB GLN 27 -5.787 -3.515 -4.678
70 1HG GLN 27 2HG GLN 27 -6.475 -1.445 -5.458
71 2HG GLN 27 1HG GLN 27 -6.211 -1.175 -3.736
72 1HE2 GLN 27 1HE2 GLN 27 -5.707 0.931 -3.742
73 2HE2 GLN 27 2HE2 GLN 27 -4.339 1.601 -4.549
74 H GLN 28 H GLN 28 -3.679 -1.585 -1.212
75 HA GLN 28 HA GLN 28 -1.288 -0.415 -2.468
76 1HB GLN 28 2HB GLN 28 -1.755 1.724 -1.431
77 2HB GLN 28 1HB GLN 28 -3.129 1.243 -2.417
78 1HG GLN 28 2HG GLN 28 -4.368 0.589 -0.468
79 2HG GLN 28 1HG GLN 28 -2.969 0.875 0.565
80 1HE2 GLN 28 1HE2 GLN 28 -5.525 2.332 -1.276
81 2HE2 GLN 28 2HE2 GLN 28 -5.350 3.930 -0.642
82 H SER 29 H SER 29 -2.711 -2.013 0.157
83 HA SER 29 HA SER 29 -0.723 -1.228 2.107
84 1HB SER 29 2HB SER 29 -3.015 -1.680 2.843
85 2HB SER 29 1HB SER 29 -2.895 -3.333 2.239
86 HG SER 29 HG SER 29 -2.268 -2.504 4.622
87 H TYR 30 H TYR 30 -0.998 -3.571 -0.352
88 HA TYR 30 HA TYR 30 0.825 -5.439 0.930
89 1HB TYR 30 2HB TYR 30 0.338 -6.942 -0.776
90 2HB TYR 30 1HB TYR 30 -1.169 -6.047 -0.629
91 HD1 TYR 30 1HD TYR 30 -1.640 -4.199 -2.302
92 HD2 TYR 30 2HD TYR 30 1.518 -7.005 -2.805
93 HE1 TYR 30 1HE TYR 30 -1.543 -3.655 -4.699
94 HE2 TYR 30 2HE TYR 30 1.624 -6.467 -5.201
95 HH TYR 30 HH TYR 30 0.223 -5.532 -6.941
96 H LEU 31 H LEU 31 1.147 -2.575 -0.641
97 HA LEU 31 HA LEU 31 3.430 -3.190 -2.282
98 1HB LEU 31 2HB LEU 31 2.336 -0.533 -1.351
99 2HB LEU 31 1HB LEU 31 3.602 -0.739 -2.545
100 HG LEU 31 HG LEU 31 0.767 -1.730 -2.860
101 1HD1 LEU 31 1HD1 LEU 31 0.846 0.697 -2.858
102 2HD1 LEU 31 2HD1 LEU 31 0.535 0.089 -4.483
103 3HD1 LEU 31 3HD1 LEU 31 2.143 0.672 -4.053
104 1HD2 LEU 31 1HD2 LEU 31 2.383 -3.067 -4.093
105 2HD2 LEU 31 2HD2 LEU 31 3.070 -1.608 -4.805
106 3HD2 LEU 31 3HD2 LEU 31 1.418 -2.085 -5.195
107 H ASP 32 H ASP 32 2.953 -2.888 0.987
108 HA ASP 32 HA ASP 32 5.818 -2.439 1.430
109 1HB ASP 32 2HB ASP 32 4.746 -0.324 1.964
110 2HB ASP 32 1HB ASP 32 3.575 -1.142 2.993
111 H SEP 33 H SEP 33 6.254 -4.559 1.879
112 HA SEP 33 HA SEP 33 5.223 -5.552 4.422
113 1HB SEP 33 1HB SEP 33 4.993 -7.026 1.800
114 2HB SEP 33 2HB SEP 33 4.937 -7.852 3.357
115 H GLY 34 H GLY 34 7.836 -4.670 2.910
116 1HA GLY 34 2HA GLY 34 9.694 -5.895 4.486
117 2HA GLY 34 1HA GLY 34 9.511 -6.999 3.133
118 H ILE 35 H ILE 35 9.068 -4.987 1.135
119 HA ILE 35 HA ILE 35 10.256 -3.760 -0.369
120 HB ILE 35 HB ILE 35 11.884 -2.672 1.916
121 1HG1 ILE 35 2HG1 ILE 35 9.533 -2.651 2.624
122 2HG1 ILE 35 1HG1 ILE 35 10.111 -1.019 2.304
123 1HG2 ILE 35 1HG2 ILE 35 12.548 -1.953 -0.299
124 2HG2 ILE 35 2HG2 ILE 35 11.802 -0.609 0.565
125 3HG2 ILE 35 3HG2 ILE 35 10.890 -1.478 -0.670
126 1HD1 ILE 35 1HD1 ILE 35 8.388 -2.689 0.486
127 2HD1 ILE 35 2HD1 ILE 35 8.996 -1.074 0.120
128 3HD1 ILE 35 3HD1 ILE 35 7.870 -1.310 1.456
129 H HIS 36 H HIS 36 11.176 -6.408 0.341
130 HA HIS 36 HA HIS 36 12.859 -7.829 -0.212
131 1HB HIS 36 2HB HIS 36 14.226 -5.380 -1.347
132 2HB HIS 36 1HB HIS 36 14.689 -7.051 -1.645
133 HD1 HIS 36 1HD HIS 36 12.475 -8.493 -2.724
134 HD2 HIS 36 2HD HIS 36 12.738 -4.391 -3.322
135 HE1 HIS 36 1HE HIS 36 11.011 -7.970 -4.719
136 H SEP 37 H SEP 37 13.130 -5.419 2.007
137 HA SEP 37 HA SEP 37 14.469 -5.019 3.801
138 1HB SEP 37 1HB SEP 37 14.093 -7.732 3.665
139 2HB SEP 37 2HB SEP 37 15.849 -7.612 3.733
140 H GLY 38 H GLY 38 15.536 -4.638 1.007
141 1HA GLY 38 2HA GLY 38 18.380 -4.462 1.780
142 2HA GLY 38 1HA GLY 38 17.912 -5.031 0.185
143 H ALA 39 H ALA 39 15.724 -2.726 1.087
144 HA ALA 39 HA ALA 39 17.249 -0.613 -0.292
145 1HB ALA 39 1HB ALA 39 14.260 -1.024 -0.278
146 2HB ALA 39 2HB ALA 39 15.349 -1.463 -1.595
147 3HB ALA 39 3HB ALA 39 15.140 0.231 -1.151
148 H THR 40 H THR 40 16.710 -1.392 2.669
149 HA THR 40 HA THR 40 16.367 1.362 3.568
150 HB THR 40 HB THR 40 14.783 0.692 5.357
151 HG1 THR 40 1HG THR 40 13.632 -1.398 4.727
152 1HG2 THR 40 1HG2 THR 40 13.782 0.142 2.561
153 2HG2 THR 40 2HG2 THR 40 13.944 1.734 3.303
154 3HG2 THR 40 3HG2 THR 40 12.785 0.573 3.951
155 H THR 41 H THR 41 18.509 -0.728 3.435
156 HA THR 41 HA THR 41 19.019 -1.286 6.250
157 HB THR 41 HB THR 41 21.016 -2.521 5.404
158 HG1 THR 41 1HG THR 41 20.856 -2.911 3.016
159 1HG2 THR 41 1HG2 THR 41 18.378 -3.290 4.149
160 2HG2 THR 41 2HG2 THR 41 18.902 -3.689 5.785
161 3HG2 THR 41 3HG2 THR 41 19.752 -4.369 4.398
162 H THR 42 H THR 42 20.129 0.766 3.666
163 HA THR 42 HA THR 42 21.788 2.237 5.577
164 HB THR 42 HB THR 42 22.867 1.694 2.820
165 HG1 THR 42 1HG THR 42 22.934 0.043 5.096
166 1HG2 THR 42 1HG2 THR 42 24.182 2.447 5.435
167 2HG2 THR 42 2HG2 THR 42 23.834 3.549 4.103
168 3HG2 THR 42 3HG2 THR 42 25.002 2.245 3.886
169 H ALA 43 H ALA 43 19.196 2.694 4.342
170 HA ALA 43 HA ALA 43 17.990 4.337 3.332
171 1HB ALA 43 1HB ALA 43 20.475 5.985 3.796
172 2HB ALA 43 2HB ALA 43 19.193 5.713 4.975
173 3HB ALA 43 3HB ALA 43 18.851 6.600 3.491
174 HA PRO 44 HA PRO 44 20.529 3.689 -0.644
175 1HB PRO 44 2HB PRO 44 18.405 1.774 -1.344
176 2HB PRO 44 1HB PRO 44 20.158 1.577 -1.412
177 1HG PRO 44 2HG PRO 44 18.674 0.304 0.426
178 2HG PRO 44 1HG PRO 44 20.300 0.906 0.795
179 1HD PRO 44 2HD PRO 44 17.638 2.115 1.461
180 2HD PRO 44 1HD PRO 44 19.081 1.942 2.481
181 1HN NH2 45 1H NH2 45 19.836 5.777 -1.200
182 2HN NH2 45 2H NH2 45 18.361 6.065 -2.052
Start of MODEL 9
1 1H ACE 18 1HA ACE 18 -15.359 7.778 0.561
2 2H ACE 18 2HA ACE 18 -15.638 6.627 1.813
3 3H ACE 18 3HA ACE 18 -16.939 7.121 0.797
4 H LYS 19 H LYS 19 -13.651 6.319 -0.238
5 HA LYS 19 HA LYS 19 -14.159 3.676 -1.102
6 1HB LYS 19 2HB LYS 19 -14.114 4.086 -3.553
7 2HB LYS 19 1HB LYS 19 -15.573 4.686 -2.777
8 1HG LYS 19 2HG LYS 19 -14.741 6.947 -2.859
9 2HG LYS 19 1HG LYS 19 -13.196 6.389 -3.504
10 1HD LYS 19 2HD LYS 19 -14.559 7.270 -5.298
11 2HD LYS 19 1HD LYS 19 -14.374 5.527 -5.496
12 1HE LYS 19 2HE LYS 19 -16.587 5.180 -4.513
13 2HE LYS 19 1HE LYS 19 -16.769 6.920 -4.299
14 1HZ LYS 19 1HZ LYS 19 -16.482 5.509 -6.897
15 2HZ LYS 19 2HZ LYS 19 -16.630 7.183 -6.704
16 3HZ LYS 19 3HZ LYS 19 -17.913 6.166 -6.276
17 H ALA 20 H ALA 20 -12.318 6.641 -1.491
18 HA ALA 20 HA ALA 20 -9.953 5.219 -2.382
19 1HB ALA 20 1HB ALA 20 -10.312 8.138 -1.715
20 2HB ALA 20 2HB ALA 20 -10.493 7.422 -3.316
21 3HB ALA 20 3HB ALA 20 -8.919 7.414 -2.520
22 H ALA 21 H ALA 21 -11.382 5.534 0.526
23 HA ALA 21 HA ALA 21 -8.800 5.385 1.932
24 1HB ALA 21 1HB ALA 21 -11.243 6.828 2.950
25 2HB ALA 21 2HB ALA 21 -9.781 7.594 2.328
26 3HB ALA 21 3HB ALA 21 -9.714 6.635 3.806
27 H VAL 22 H VAL 22 -11.429 3.709 1.065
28 HA VAL 22 HA VAL 22 -11.328 2.050 3.490
29 HB VAL 22 HB VAL 22 -13.445 3.383 3.339
30 1HG1 VAL 22 1HG1 VAL 22 -15.137 2.707 1.714
31 2HG1 VAL 22 2HG1 VAL 22 -13.974 1.623 0.950
32 3HG1 VAL 22 3HG1 VAL 22 -13.708 3.367 0.919
33 1HG2 VAL 22 1HG2 VAL 22 -13.315 1.300 4.616
34 2HG2 VAL 22 2HG2 VAL 22 -13.755 0.387 3.173
35 3HG2 VAL 22 3HG2 VAL 22 -14.909 1.511 3.891
36 H SER 23 H SER 23 -11.043 2.245 0.125
37 HA SER 23 HA SER 23 -10.948 -0.685 -0.047
38 1HB SER 23 2HB SER 23 -12.242 1.146 -2.076
39 2HB SER 23 1HB SER 23 -11.974 -0.582 -2.301
40 HG SER 23 HG SER 23 -13.224 -0.709 -0.203
41 H HIS 24 H HIS 24 -9.369 2.197 -0.427
42 HA HIS 24 HA HIS 24 -7.658 1.208 -2.596
43 1HB HIS 24 2HB HIS 24 -8.260 3.919 -1.512
44 2HB HIS 24 1HB HIS 24 -6.679 3.646 -2.238
45 HD1 HIS 24 1HD HIS 24 -6.663 4.307 -4.634
46 HD2 HIS 24 2HD HIS 24 -10.364 2.836 -3.450
47 HE1 HIS 24 1HE HIS 24 -8.155 4.415 -6.672
48 H TRP 25 H TRP 25 -7.775 0.898 0.618
49 HA TRP 25 HA TRP 25 -4.927 1.361 1.096
50 1HB TRP 25 2HB TRP 25 -5.491 0.791 3.470
51 2HB TRP 25 1HB TRP 25 -6.342 2.196 2.844
52 HD1 TRP 25 HD TRP 25 -7.947 -0.912 1.590
53 HE1 TRP 25 1HE TRP 25 -10.082 -1.410 2.942
54 HE3 TRP 25 3HE TRP 25 -7.231 2.349 5.453
55 HZ2 TRP 25 2HZ TRP 25 -11.295 -0.539 5.343
56 HZ3 TRP 25 3HZ TRP 25 -8.916 2.456 7.237
57 HH2 TRP 25 HH TRP 25 -10.908 1.042 7.185
58 H GLN 26 H GLN 26 -6.602 -0.995 -0.288
59 HA GLN 26 HA GLN 26 -5.268 -3.217 1.075
60 1HB GLN 26 2HB GLN 26 -7.465 -3.131 -0.992
61 2HB GLN 26 1HB GLN 26 -6.718 -4.619 -0.435
62 1HG GLN 26 2HG GLN 26 -7.849 -4.619 1.494
63 2HG GLN 26 1HG GLN 26 -7.684 -2.877 1.707
64 1HE2 GLN 26 1HE2 GLN 26 -8.821 -2.224 -0.866
65 2HE2 GLN 26 2HE2 GLN 26 -10.520 -2.517 -0.746
66 H GLN 27 H GLN 27 -5.527 -1.645 -2.073
67 HA GLN 27 HA GLN 27 -3.650 -3.466 -3.289
68 1HB GLN 27 2HB GLN 27 -3.850 -1.946 -5.269
69 2HB GLN 27 1HB GLN 27 -5.366 -2.645 -4.725
70 1HG GLN 27 2HG GLN 27 -5.865 -0.427 -5.235
71 2HG GLN 27 1HG GLN 27 -5.751 -0.466 -3.480
72 1HE2 GLN 27 1HE2 GLN 27 -4.072 0.595 -2.460
73 2HE2 GLN 27 2HE2 GLN 27 -3.043 1.715 -3.280
74 H GLN 28 H GLN 28 -2.932 -1.634 -0.970
75 HA GLN 28 HA GLN 28 -0.382 -0.794 -2.105
76 1HB GLN 28 2HB GLN 28 -0.523 1.370 -0.809
77 2HB GLN 28 1HB GLN 28 -1.550 1.260 -2.230
78 1HG GLN 28 2HG GLN 28 -3.038 2.143 -0.775
79 2HG GLN 28 1HG GLN 28 -3.317 0.432 -0.451
80 1HE2 GLN 28 1HE2 GLN 28 -2.639 -0.446 1.479
81 2HE2 GLN 28 2HE2 GLN 28 -2.139 0.521 2.821
82 H SER 29 H SER 29 -2.174 -2.200 0.368
83 HA SER 29 HA SER 29 -0.176 -1.801 2.437
84 1HB SER 29 2HB SER 29 -2.813 -3.245 2.325
85 2HB SER 29 1HB SER 29 -1.699 -3.498 3.669
86 HG SER 29 HG SER 29 -3.035 -1.839 4.252
87 H TYR 30 H TYR 30 -0.725 -3.968 -0.127
88 HA TYR 30 HA TYR 30 0.799 -6.115 1.148
89 1HB TYR 30 2HB TYR 30 0.057 -7.545 -0.571
90 2HB TYR 30 1HB TYR 30 -1.333 -6.527 -0.213
91 HD1 TYR 30 1HD TYR 30 0.885 -7.702 -2.746
92 HD2 TYR 30 2HD TYR 30 -1.741 -4.508 -1.749
93 HE1 TYR 30 1HE TYR 30 0.752 -7.080 -5.119
94 HE2 TYR 30 2HE TYR 30 -1.882 -3.876 -4.122
95 HH TYR 30 HH TYR 30 -0.791 -5.877 -6.625
96 H LEU 31 H LEU 31 1.350 -3.403 -0.709
97 HA LEU 31 HA LEU 31 3.607 -4.510 -2.180
98 1HB LEU 31 2HB LEU 31 2.419 -1.740 -2.088
99 2HB LEU 31 1HB LEU 31 3.828 -2.164 -3.040
100 HG LEU 31 HG LEU 31 1.119 -3.444 -3.397
101 1HD1 LEU 31 1HD1 LEU 31 0.940 -2.043 -5.410
102 2HD1 LEU 31 2HD1 LEU 31 2.409 -1.193 -4.931
103 3HD1 LEU 31 3HD1 LEU 31 0.962 -1.088 -3.927
104 1HD2 LEU 31 1HD2 LEU 31 2.990 -4.815 -4.147
105 2HD2 LEU 31 2HD2 LEU 31 3.608 -3.468 -5.102
106 3HD2 LEU 31 3HD2 LEU 31 2.064 -4.210 -5.520
107 H ASP 32 H ASP 32 3.146 -3.597 0.895
108 HA ASP 32 HA ASP 32 5.905 -2.603 1.163
109 1HB ASP 32 2HB ASP 32 4.140 -0.863 1.637
110 2HB ASP 32 1HB ASP 32 3.613 -1.860 2.989
111 H SEP 33 H SEP 33 4.787 -5.330 1.253
112 HA SEP 33 HA SEP 33 4.642 -6.230 3.933
113 1HB SEP 33 1HB SEP 33 4.965 -8.493 2.950
114 2HB SEP 33 2HB SEP 33 3.705 -7.566 2.139
115 H GLY 34 H GLY 34 7.303 -5.918 1.632
116 1HA GLY 34 2HA GLY 34 9.284 -5.572 3.539
117 2HA GLY 34 1HA GLY 34 9.222 -7.298 3.215
118 H ILE 35 H ILE 35 8.761 -4.573 0.988
119 HA ILE 35 HA ILE 35 11.208 -5.404 -0.418
120 HB ILE 35 HB ILE 35 10.023 -4.804 -2.568
121 1HG1 ILE 35 2HG1 ILE 35 7.538 -5.195 -0.891
122 2HG1 ILE 35 1HG1 ILE 35 8.128 -3.619 -1.408
123 1HG2 ILE 35 1HG2 ILE 35 10.521 -7.102 -1.890
124 2HG2 ILE 35 2HG2 ILE 35 9.004 -7.002 -2.786
125 3HG2 ILE 35 3HG2 ILE 35 8.982 -7.179 -1.032
126 1HD1 ILE 35 1HD1 ILE 35 7.823 -4.243 -3.728
127 2HD1 ILE 35 2HD1 ILE 35 6.321 -4.447 -2.826
128 3HD1 ILE 35 3HD1 ILE 35 7.297 -5.855 -3.242
129 H HIS 36 H HIS 36 10.118 -3.099 1.382
130 HA HIS 36 HA HIS 36 10.548 -0.886 1.666
131 1HB HIS 36 2HB HIS 36 12.469 -1.191 -0.649
132 2HB HIS 36 1HB HIS 36 12.501 0.051 0.598
133 HD1 HIS 36 1HD HIS 36 13.920 -0.452 2.621
134 HD2 HIS 36 2HD HIS 36 13.049 -3.847 0.385
135 HE1 HIS 36 1HE HIS 36 15.274 -2.336 3.632
136 H SEP 37 H SEP 37 8.880 -2.049 -0.807
137 HA SEP 37 HA SEP 37 7.513 -1.209 -2.421
138 1HB SEP 37 1HB SEP 37 6.887 0.147 -0.296
139 2HB SEP 37 2HB SEP 37 7.713 1.482 -1.097
140 H GLY 38 H GLY 38 10.512 -0.886 -2.667
141 1HA GLY 38 2HA GLY 38 10.533 1.341 -4.606
142 2HA GLY 38 1HA GLY 38 11.952 0.757 -3.750
143 H ALA 39 H ALA 39 9.825 -1.674 -4.848
144 HA ALA 39 HA ALA 39 11.795 -2.531 -6.809
145 1HB ALA 39 1HB ALA 39 10.530 -4.621 -6.864
146 2HB ALA 39 2HB ALA 39 9.301 -3.909 -5.818
147 3HB ALA 39 3HB ALA 39 10.937 -4.164 -5.210
148 H THR 40 H THR 40 9.537 -0.337 -7.025
149 HA THR 40 HA THR 40 8.347 -1.286 -9.533
150 HB THR 40 HB THR 40 7.577 1.144 -7.910
151 HG1 THR 40 1HG THR 40 7.207 -1.216 -7.130
152 1HG2 THR 40 1HG2 THR 40 5.538 1.104 -9.275
153 2HG2 THR 40 2HG2 THR 40 6.177 -0.262 -10.190
154 3HG2 THR 40 3HG2 THR 40 6.975 1.308 -10.277
155 H THR 41 H THR 41 10.320 1.247 -8.145
156 HA THR 41 HA THR 41 11.580 1.830 -10.621
157 HB THR 41 HB THR 41 9.563 3.059 -11.132
158 HG1 THR 41 1HG THR 41 10.883 4.506 -11.908
159 1HG2 THR 41 1HG2 THR 41 8.846 4.956 -9.676
160 2HG2 THR 41 2HG2 THR 41 9.976 4.379 -8.452
161 3HG2 THR 41 3HG2 THR 41 8.620 3.367 -8.947
162 H THR 42 H THR 42 12.083 1.198 -7.783
163 HA THR 42 HA THR 42 13.655 1.649 -6.205
164 HB THR 42 HB THR 42 14.693 3.923 -7.888
165 HG1 THR 42 1HG THR 42 14.328 1.853 -9.095
166 1HG2 THR 42 1HG2 THR 42 16.038 1.913 -6.076
167 2HG2 THR 42 2HG2 THR 42 15.713 3.603 -5.691
168 3HG2 THR 42 3HG2 THR 42 16.854 3.195 -6.972
169 H ALA 43 H ALA 43 11.109 3.408 -6.824
170 HA ALA 43 HA ALA 43 10.030 5.214 -5.925
171 1HB ALA 43 1HB ALA 43 10.065 3.695 -4.024
172 2HB ALA 43 2HB ALA 43 10.185 5.371 -3.488
173 3HB ALA 43 3HB ALA 43 11.622 4.350 -3.515
174 HA PRO 44 HA PRO 44 13.645 8.103 -6.559
175 1HB PRO 44 2HB PRO 44 11.607 9.487 -8.195
176 2HB PRO 44 1HB PRO 44 13.269 9.051 -8.602
177 1HG PRO 44 2HG PRO 44 11.192 7.750 -9.670
178 2HG PRO 44 1HG PRO 44 12.689 6.902 -9.237
179 1HD PRO 44 2HD PRO 44 10.077 7.010 -7.773
180 2HD PRO 44 1HD PRO 44 11.168 5.632 -8.032
181 1HN NH2 45 1H NH2 45 13.498 8.850 -4.430
182 2HN NH2 45 2H NH2 45 12.453 10.144 -3.965
Start of MODEL 10
1 1H ACE 18 1HA ACE 18 -19.570 -1.172 0.665
2 2H ACE 18 2HA ACE 18 -18.532 0.159 0.324
3 3H ACE 18 3HA ACE 18 -18.247 -0.816 1.716
4 H LYS 19 H LYS 19 -17.314 -0.305 -1.462
5 HA LYS 19 HA LYS 19 -15.777 -2.785 -1.518
6 1HB LYS 19 2HB LYS 19 -17.630 -1.893 -3.729
7 2HB LYS 19 1HB LYS 19 -16.358 -3.085 -3.956
8 1HG LYS 19 2HG LYS 19 -17.409 -4.535 -2.302
9 2HG LYS 19 1HG LYS 19 -18.673 -3.333 -2.045
10 1HD LYS 19 2HD LYS 19 -18.099 -4.616 -4.711
11 2HD LYS 19 1HD LYS 19 -19.304 -5.222 -3.573
12 1HE LYS 19 2HE LYS 19 -19.272 -2.464 -4.799
13 2HE LYS 19 1HE LYS 19 -20.305 -3.800 -5.309
14 1HZ LYS 19 1HZ LYS 19 -21.332 -3.796 -3.125
15 2HZ LYS 19 2HZ LYS 19 -21.475 -2.272 -3.843
16 3HZ LYS 19 3HZ LYS 19 -20.331 -2.528 -2.624
17 H ALA 20 H ALA 20 -16.496 0.030 -3.603
18 HA ALA 20 HA ALA 20 -13.820 0.202 -4.562
19 1HB ALA 20 1HB ALA 20 -14.532 2.275 -5.622
20 2HB ALA 20 2HB ALA 20 -16.016 2.268 -4.670
21 3HB ALA 20 3HB ALA 20 -15.730 1.005 -5.868
22 H ALA 21 H ALA 21 -15.317 1.187 -1.693
23 HA ALA 21 HA ALA 21 -13.104 3.048 -1.111
24 1HB ALA 21 1HB ALA 21 -15.278 4.173 -1.160
25 2HB ALA 21 2HB ALA 21 -14.582 4.184 0.460
26 3HB ALA 21 3HB ALA 21 -15.882 3.059 0.066
27 H VAL 22 H VAL 22 -13.536 0.033 -0.742
28 HA VAL 22 HA VAL 22 -12.591 -0.034 2.033
29 HB VAL 22 HB VAL 22 -14.592 -2.028 0.962
30 1HG1 VAL 22 1HG1 VAL 22 -13.134 -2.960 2.648
31 2HG1 VAL 22 2HG1 VAL 22 -14.745 -2.721 3.325
32 3HG1 VAL 22 3HG1 VAL 22 -13.447 -1.592 3.717
33 1HG2 VAL 22 1HG2 VAL 22 -15.678 0.124 1.216
34 2HG2 VAL 22 2HG2 VAL 22 -15.030 0.285 2.848
35 3HG2 VAL 22 3HG2 VAL 22 -16.209 -0.976 2.488
36 H SER 23 H SER 23 -12.376 -1.092 -1.200
37 HA SER 23 HA SER 23 -10.441 -3.179 -0.435
38 1HB SER 23 2HB SER 23 -10.875 -4.273 -2.541
39 2HB SER 23 1HB SER 23 -12.423 -3.957 -1.757
40 HG SER 23 HG SER 23 -11.873 -3.327 -4.154
41 H HIS 24 H HIS 24 -10.435 -0.077 -1.213
42 HA HIS 24 HA HIS 24 -8.256 -0.226 -3.170
43 1HB HIS 24 2HB HIS 24 -8.616 2.105 -3.585
44 2HB HIS 24 1HB HIS 24 -10.197 1.331 -3.557
45 HD1 HIS 24 1HD HIS 24 -9.025 4.401 -2.675
46 HD2 HIS 24 2HD HIS 24 -10.906 1.450 -0.438
47 HE1 HIS 24 1HE HIS 24 -10.047 5.567 -0.678
48 H TRP 25 H TRP 25 -8.418 -0.533 -0.007
49 HA TRP 25 HA TRP 25 -6.152 1.249 0.571
50 1HB TRP 25 2HB TRP 25 -6.718 1.009 2.930
51 2HB TRP 25 1HB TRP 25 -8.115 1.561 2.019
52 HD1 TRP 25 HD TRP 25 -8.003 -2.014 1.346
53 HE1 TRP 25 1HE TRP 25 -9.538 -3.317 2.949
54 HE3 TRP 25 3HE TRP 25 -8.800 1.626 4.840
55 HZ2 TRP 25 2HZ TRP 25 -10.914 -2.858 5.374
56 HZ3 TRP 25 3HZ TRP 25 -10.237 1.117 6.766
57 HH2 TRP 25 HH TRP 25 -11.275 -1.078 7.029
58 H GLN 26 H GLN 26 -6.853 -1.893 -0.193
59 HA GLN 26 HA GLN 26 -4.622 -2.997 1.361
60 1HB GLN 26 2HB GLN 26 -6.619 -4.288 1.606
61 2HB GLN 26 1HB GLN 26 -6.898 -4.304 -0.130
62 1HG GLN 26 2HG GLN 26 -4.336 -5.458 0.667
63 2HG GLN 26 1HG GLN 26 -5.741 -6.307 1.310
64 1HE2 GLN 26 1HE2 GLN 26 -5.855 -4.565 -1.700
65 2HE2 GLN 26 2HE2 GLN 26 -5.962 -5.948 -2.728
66 H GLN 27 H GLN 27 -5.657 -2.169 -1.830
67 HA GLN 27 HA GLN 27 -3.607 -3.669 -3.188
68 1HB GLN 27 2HB GLN 27 -4.403 -2.499 -5.197
69 2HB GLN 27 1HB GLN 27 -5.735 -3.210 -4.296
70 1HG GLN 27 2HG GLN 27 -6.036 -0.914 -3.242
71 2HG GLN 27 1HG GLN 27 -4.956 -0.324 -4.504
72 1HE2 GLN 27 1HE2 GLN 27 -7.251 -2.930 -4.923
73 2HE2 GLN 27 2HE2 GLN 27 -8.294 -2.094 -6.017
74 H GLN 28 H GLN 28 -3.176 -1.387 -1.119
75 HA GLN 28 HA GLN 28 -0.885 -0.247 -2.519
76 1HB GLN 28 2HB GLN 28 -1.416 2.018 -1.633
77 2HB GLN 28 1HB GLN 28 -2.574 1.449 -2.829
78 1HG GLN 28 2HG GLN 28 -4.110 0.822 -1.019
79 2HG GLN 28 1HG GLN 28 -2.955 1.445 0.158
80 1HE2 GLN 28 1HE2 GLN 28 -4.436 2.953 0.930
81 2HE2 GLN 28 2HE2 GLN 28 -4.857 4.368 0.033
82 H SER 29 H SER 29 -2.124 -1.827 0.054
83 HA SER 29 HA SER 29 -0.205 -0.720 1.983
84 1HB SER 29 2HB SER 29 -2.513 -0.872 2.782
85 2HB SER 29 1HB SER 29 -2.543 -2.596 2.410
86 HG SER 29 HG SER 29 -2.101 -2.222 4.615
87 H TYR 30 H TYR 30 -0.486 -3.200 -0.236
88 HA TYR 30 HA TYR 30 1.066 -5.110 1.332
89 1HB TYR 30 2HB TYR 30 0.605 -6.711 -0.353
90 2HB TYR 30 1HB TYR 30 -0.889 -5.808 -0.135
91 HD1 TYR 30 1HD TYR 30 1.525 -6.954 -2.478
92 HD2 TYR 30 2HD TYR 30 -1.323 -3.868 -1.794
93 HE1 TYR 30 1HE TYR 30 1.487 -6.466 -4.886
94 HE2 TYR 30 2HE TYR 30 -1.372 -3.373 -4.203
95 HH TYR 30 HH TYR 30 -0.075 -5.433 -6.531
96 H LEU 31 H LEU 31 1.577 -2.563 -0.792
97 HA LEU 31 HA LEU 31 4.021 -3.616 -1.940
98 1HB LEU 31 2HB LEU 31 4.186 -1.228 -2.854
99 2HB LEU 31 1HB LEU 31 2.902 -2.258 -3.453
100 HG LEU 31 HG LEU 31 1.416 -1.113 -1.690
101 1HD1 LEU 31 1HD1 LEU 31 2.111 1.162 -1.098
102 2HD1 LEU 31 2HD1 LEU 31 3.693 0.857 -1.814
103 3HD1 LEU 31 3HD1 LEU 31 3.175 -0.058 -0.399
104 1HD2 LEU 31 1HD2 LEU 31 1.193 -0.766 -4.090
105 2HD2 LEU 31 2HD2 LEU 31 2.469 0.449 -4.043
106 3HD2 LEU 31 3HD2 LEU 31 0.942 0.741 -3.210
107 H ASP 32 H ASP 32 3.290 -2.573 1.021
108 HA ASP 32 HA ASP 32 6.013 -1.573 1.483
109 1HB ASP 32 2HB ASP 32 3.440 -0.382 2.513
110 2HB ASP 32 1HB ASP 32 4.987 -0.090 3.301
111 H SEP 33 H SEP 33 4.181 -4.077 1.915
112 HA SEP 33 HA SEP 33 3.976 -4.518 4.680
113 1HB SEP 33 1HB SEP 33 2.918 -5.851 2.750
114 2HB SEP 33 2HB SEP 33 4.453 -6.717 2.677
115 H GLY 34 H GLY 34 6.579 -5.209 2.384
116 1HA GLY 34 2HA GLY 34 8.469 -5.297 4.584
117 2HA GLY 34 1HA GLY 34 8.284 -6.806 3.705
118 H ILE 35 H ILE 35 8.160 -6.153 1.136
119 HA ILE 35 HA ILE 35 9.340 -5.494 -0.697
120 HB ILE 35 HB ILE 35 10.328 -3.340 1.162
121 1HG1 ILE 35 2HG1 ILE 35 8.513 -3.206 -1.255
122 2HG1 ILE 35 1HG1 ILE 35 7.946 -3.281 0.409
123 1HG2 ILE 35 1HG2 ILE 35 12.087 -3.789 -0.435
124 2HG2 ILE 35 2HG2 ILE 35 11.305 -2.257 -0.823
125 3HG2 ILE 35 3HG2 ILE 35 10.936 -3.699 -1.768
126 1HD1 ILE 35 1HD1 ILE 35 9.004 -1.156 0.888
127 2HD1 ILE 35 2HD1 ILE 35 7.908 -1.009 -0.486
128 3HD1 ILE 35 3HD1 ILE 35 9.649 -1.089 -0.752
129 H HIS 36 H HIS 36 10.498 -7.267 -1.012
130 HA HIS 36 HA HIS 36 12.252 -8.712 -0.990
131 1HB HIS 36 2HB HIS 36 13.757 -6.111 -0.635
132 2HB HIS 36 1HB HIS 36 14.503 -7.645 -1.064
133 HD1 HIS 36 1HD HIS 36 11.406 -7.552 -2.841
134 HD2 HIS 36 2HD HIS 36 15.131 -5.781 -3.338
135 HE1 HIS 36 1HE HIS 36 11.533 -6.832 -5.262
136 H SEP 37 H SEP 37 12.163 -10.015 0.747
137 HA SEP 37 HA SEP 37 12.300 -9.232 3.400
138 1HB SEP 37 1HB SEP 37 11.505 -11.382 3.154
139 2HB SEP 37 2HB SEP 37 12.729 -11.817 1.963
140 H GLY 38 H GLY 38 14.713 -9.145 1.094
141 1HA GLY 38 2HA GLY 38 16.886 -9.377 3.047
142 2HA GLY 38 1HA GLY 38 17.071 -9.333 1.300
143 H ALA 39 H ALA 39 15.061 -6.981 1.297
144 HA ALA 39 HA ALA 39 17.117 -4.948 1.683
145 1HB ALA 39 1HB ALA 39 15.832 -4.959 -0.401
146 2HB ALA 39 2HB ALA 39 15.599 -3.459 0.496
147 3HB ALA 39 3HB ALA 39 14.347 -4.701 0.515
148 H THR 40 H THR 40 15.506 -6.342 3.881
149 HA THR 40 HA THR 40 14.680 -3.874 5.260
150 HB THR 40 HB THR 40 12.659 -5.089 4.735
151 HG1 THR 40 1HG THR 40 12.853 -4.156 6.863
152 1HG2 THR 40 1HG2 THR 40 12.278 -7.379 5.504
153 2HG2 THR 40 2HG2 THR 40 13.922 -7.448 6.139
154 3HG2 THR 40 3HG2 THR 40 13.653 -7.310 4.401
155 H THR 41 H THR 41 16.591 -6.672 5.250
156 HA THR 41 HA THR 41 17.039 -6.560 8.149
157 HB THR 41 HB THR 41 18.244 -8.687 7.886
158 HG1 THR 41 1HG THR 41 19.038 -8.786 5.875
159 1HG2 THR 41 1HG2 THR 41 16.323 -10.095 7.283
160 2HG2 THR 41 2HG2 THR 41 15.514 -8.688 6.590
161 3HG2 THR 41 3HG2 THR 41 15.841 -8.753 8.322
162 H THR 42 H THR 42 18.343 -5.455 5.251
163 HA THR 42 HA THR 42 21.105 -5.463 6.176
164 HB THR 42 HB THR 42 20.700 -5.946 3.815
165 HG1 THR 42 1HG THR 42 22.415 -4.208 4.760
166 1HG2 THR 42 1HG2 THR 42 19.598 -3.137 3.663
167 2HG2 THR 42 2HG2 THR 42 18.656 -4.622 3.518
168 3HG2 THR 42 3HG2 THR 42 19.864 -4.221 2.298
169 H ALA 43 H ALA 43 18.592 -3.704 7.047
170 HA ALA 43 HA ALA 43 19.472 -1.030 6.608
171 1HB ALA 43 1HB ALA 43 17.124 -1.543 7.004
172 2HB ALA 43 2HB ALA 43 17.732 -0.392 8.195
173 3HB ALA 43 3HB ALA 43 17.508 -2.084 8.639
174 HA PRO 44 HA PRO 44 21.025 -1.274 11.186
175 1HB PRO 44 2HB PRO 44 21.499 -3.748 12.214
176 2HB PRO 44 1HB PRO 44 19.963 -2.897 12.413
177 1HG PRO 44 2HG PRO 44 20.698 -5.053 10.475
178 2HG PRO 44 1HG PRO 44 19.206 -4.847 11.413
179 1HD PRO 44 2HD PRO 44 19.392 -4.173 8.797
180 2HD PRO 44 1HD PRO 44 18.341 -3.308 9.935
181 1HN NH2 45 1H NH2 45 22.337 -4.446 10.401
182 2HN NH2 45 2H NH2 45 23.919 -3.899 9.976