Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
570936 | 2rt4 RC | 11524 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -11.347 -5.136 -7.475
2 H2 GLY 1 2HT GLY 1 -11.932 -3.549 -7.519
3 H3 GLY 1 3HT GLY 1 -12.539 -4.642 -6.380
4 HA2 GLY 1 1HA GLY 1 -9.758 -3.608 -6.483
5 HA3 GLY 1 2HA GLY 1 -10.995 -3.093 -5.347
6 H VAL 2 H VAL 2 -8.408 -4.249 -4.760
7 HA VAL 2 HA VAL 2 -9.004 -6.931 -3.796
8 HB VAL 2 HB VAL 2 -6.656 -6.986 -3.066
9 HG11 VAL 2 1HG1 VAL 2 -5.630 -6.909 -5.293
10 HG12 VAL 2 2HG1 VAL 2 -7.038 -6.039 -5.905
11 HG13 VAL 2 3HG1 VAL 2 -7.207 -7.697 -5.324
12 HG21 VAL 2 3HG2 VAL 2 -5.144 -5.154 -3.603
13 HG22 VAL 2 1HG2 VAL 2 -6.414 -4.611 -2.508
14 HG23 VAL 2 2HG2 VAL 2 -6.494 -4.203 -4.220
15 H VAL 3 H VAL 3 -7.894 -7.306 -1.492
16 HA VAL 3 HA VAL 3 -8.433 -5.165 0.379
17 HB VAL 3 HB VAL 3 -10.012 -6.479 1.742
18 HG11 VAL 3 1HG1 VAL 3 -10.850 -4.799 0.168
19 HG12 VAL 3 2HG1 VAL 3 -11.983 -6.136 0.353
20 HG13 VAL 3 3HG1 VAL 3 -10.966 -6.035 -1.085
21 HG21 VAL 3 3HG2 VAL 3 -11.128 -8.437 0.773
22 HG22 VAL 3 1HG2 VAL 3 -9.401 -8.712 0.990
23 HG23 VAL 3 2HG2 VAL 3 -10.043 -8.363 -0.615
24 H ARG 4 H ARG 4 -6.097 -6.587 -0.343
25 HA ARG 4 HA ARG 4 -5.383 -7.656 2.275
26 HB2 ARG 4 2HB ARG 4 -4.985 -9.143 -0.321
27 HB3 ARG 4 1HB ARG 4 -4.132 -9.542 1.164
28 HG2 ARG 4 2HG ARG 4 -7.118 -9.587 0.789
29 HG3 ARG 4 1HG ARG 4 -6.055 -10.994 0.806
30 HD2 ARG 4 2HD ARG 4 -5.385 -10.423 3.109
31 HD3 ARG 4 1HD ARG 4 -6.510 -9.068 3.081
32 HE ARG 4 HE ARG 4 -8.278 -10.543 3.288
33 HH11 ARG 4 1HH1 ARG 4 -5.294 -12.302 2.841
34 HH12 ARG 4 2HH1 ARG 4 -5.982 -13.825 3.290
35 HH21 ARG 4 1HH2 ARG 4 -9.180 -12.545 3.880
36 HH22 ARG 4 2HH2 ARG 4 -8.185 -13.965 3.880
37 H GLN 5 H GLN 5 -3.405 -7.069 2.927
38 HA GLN 5 HA GLN 5 -1.795 -5.486 1.057
39 HB2 GLN 5 2HB GLN 5 -0.712 -4.570 3.059
40 HB3 GLN 5 1HB GLN 5 -2.456 -4.362 3.121
41 HG2 GLN 5 2HG GLN 5 -2.631 -6.288 4.614
42 HG3 GLN 5 1HG GLN 5 -0.880 -6.488 4.556
43 HE21 GLN 5 1HE2 GLN 5 -0.658 -6.195 6.764
44 HE22 GLN 5 2HE2 GLN 5 -0.847 -4.653 7.519
45 H TRP 6 H TRP 6 0.667 -5.546 1.900
46 HA TRP 6 HA TRP 6 1.677 -8.059 2.729
47 HB2 TRP 6 2HB TRP 6 2.578 -8.920 0.687
48 HB3 TRP 6 1HB TRP 6 0.875 -8.594 0.399
49 HD1 TRP 6 HD TRP 6 0.489 -5.985 -0.775
50 HE1 TRP 6 1HE TRP 6 1.779 -5.031 -2.787
51 HE3 TRP 6 3HE TRP 6 4.634 -8.967 -0.567
52 HZ2 TRP 6 2HZ TRP 6 4.231 -5.481 -4.110
53 HZ3 TRP 6 3HZ TRP 6 6.408 -8.641 -2.242
54 HH2 TRP 6 HH TRP 6 6.208 -6.933 -3.977
55 H SER 7 H SER 7 4.156 -7.798 1.111
56 HA SER 7 HA SER 7 5.348 -5.660 2.682
57 HB2 SER 7 2HB SER 7 6.627 -7.788 0.951
58 HB3 SER 7 1HB SER 7 7.500 -6.643 1.967
59 HG SER 7 HG SER 7 6.631 -7.594 3.771
60 H GLY 8 H GLY 8 3.666 -5.092 0.275
61 HA2 GLY 8 2HA GLY 8 5.651 -3.967 -1.563
62 HA3 GLY 8 1HA GLY 8 3.927 -4.105 -1.866
63 H TYR 9 H TYR 9 5.373 -2.781 1.057
64 HA TYR 9 HA TYR 9 4.011 -0.252 0.502
65 HB2 TYR 9 2HB TYR 9 3.563 -1.322 2.668
66 HB3 TYR 9 1HB TYR 9 5.280 -1.272 3.054
67 HD1 TYR 9 1HD TYR 9 2.233 0.744 2.630
68 HD2 TYR 9 2HD TYR 9 6.327 0.765 3.784
69 HE1 TYR 9 1HE TYR 9 1.934 2.973 3.626
70 HE2 TYR 9 2HE TYR 9 6.040 2.994 4.783
71 HH TYR 9 HH TYR 9 2.999 4.380 5.341
72 H ASP 10 H ASP 10 5.099 1.455 -0.202
73 HA ASP 10 HA ASP 10 8.021 1.413 -0.102
74 HB2 ASP 10 2HB ASP 10 6.948 1.794 -2.285
75 HB3 ASP 10 1HB ASP 10 6.152 3.227 -1.642
76 HA PRO 11 HA PRO 11 7.536 4.324 3.335
77 HB2 PRO 11 2HB PRO 11 10.433 4.073 3.614
78 HB3 PRO 11 1HB PRO 11 9.159 3.573 4.738
79 HG2 PRO 11 2HG PRO 11 10.713 1.822 3.392
80 HG3 PRO 11 1HG PRO 11 9.053 1.467 3.907
81 HD2 PRO 11 2HD PRO 11 10.074 2.211 1.206
82 HD3 PRO 11 1HD PRO 11 8.797 1.065 1.658
83 H ARG 12 H ARG 12 9.995 4.404 0.812
84 HA ARG 12 HA ARG 12 10.987 6.965 1.138
85 HB2 ARG 12 2HB ARG 12 10.480 5.492 -1.453
86 HB3 ARG 12 1HB ARG 12 11.528 6.892 -1.270
87 HG2 ARG 12 2HG ARG 12 12.976 5.626 0.226
88 HG3 ARG 12 1HG ARG 12 11.918 4.223 0.067
89 HD2 ARG 12 2HD ARG 12 13.436 5.554 -2.174
90 HD3 ARG 12 1HD ARG 12 13.884 4.043 -1.382
91 HE ARG 12 HE ARG 12 11.256 3.853 -2.386
92 HH11 ARG 12 2HH1 ARG 12 14.571 3.950 -3.472
93 HH12 ARG 12 1HH1 ARG 12 14.259 3.033 -4.907
94 HH21 ARG 12 1HH2 ARG 12 10.843 2.646 -4.272
95 HH22 ARG 12 2HH2 ARG 12 12.142 2.293 -5.362
96 H THR 13 H THR 13 7.924 5.930 -0.181
97 HA THR 13 HA THR 13 7.207 8.756 -0.559
98 HB THR 13 HB THR 13 5.744 8.139 -2.424
99 HG1 THR 13 1HG THR 13 5.216 6.086 -2.480
100 HG21 THR 13 3HG2 THR 13 8.035 8.840 -2.919
101 HG22 THR 13 1HG2 THR 13 7.476 7.643 -4.085
102 HG23 THR 13 2HG2 THR 13 8.580 7.167 -2.794
103 H GLY 14 H GLY 14 6.786 6.499 1.529
104 HA2 GLY 14 2HA GLY 14 5.112 5.762 2.928
105 HA3 GLY 14 1HA GLY 14 4.503 7.396 2.729
106 H THR 15 H THR 15 4.687 5.190 0.028
107 HA THR 15 HA THR 15 1.792 4.720 0.212
108 HB THR 15 HB THR 15 1.650 5.030 -2.276
109 HG1 THR 15 1HG THR 15 3.418 5.492 -3.336
110 HG21 THR 15 3HG2 THR 15 1.577 7.488 -2.179
111 HG22 THR 15 1HG2 THR 15 2.456 7.445 -0.652
112 HG23 THR 15 2HG2 THR 15 0.837 6.753 -0.758
113 H TRP 16 H TRP 16 1.057 2.980 -1.287
114 HA TRP 16 HA TRP 16 2.843 0.726 -1.059
115 HB2 TRP 16 2HB TRP 16 0.015 0.976 -2.096
116 HB3 TRP 16 1HB TRP 16 0.890 -0.549 -1.987
117 HD1 TRP 16 HD TRP 16 -0.961 1.997 0.134
118 HE1 TRP 16 1HE TRP 16 -1.230 1.071 2.519
119 HE3 TRP 16 3HE TRP 16 2.056 -2.111 -0.246
120 HZ2 TRP 16 2HZ TRP 16 -0.287 -1.112 4.041
121 HZ3 TRP 16 3HZ TRP 16 2.320 -3.565 1.722
122 HH2 TRP 16 HH TRP 16 1.172 -3.075 3.821
123 H ARG 17 H ARG 17 2.568 -0.874 -3.103
124 HA ARG 17 HA ARG 17 4.087 0.376 -5.165
125 HB2 ARG 17 2HB ARG 17 2.951 -2.398 -4.859
126 HB3 ARG 17 1HB ARG 17 3.873 -1.903 -6.272
127 HG2 ARG 17 2HG ARG 17 4.886 -1.823 -3.439
128 HG3 ARG 17 1HG ARG 17 5.223 -3.105 -4.603
129 HD2 ARG 17 2HD ARG 17 6.282 -1.455 -6.085
130 HD3 ARG 17 1HD ARG 17 5.970 -0.196 -4.891
131 HE ARG 17 HE ARG 17 7.381 -2.143 -3.559
132 HH11 ARG 17 2HH1 ARG 17 7.918 -0.126 -6.356
133 HH12 ARG 17 1HH1 ARG 17 9.636 -0.079 -6.147
134 HH21 ARG 17 2HH2 ARG 17 9.641 -2.084 -3.284
135 HH22 ARG 17 1HH2 ARG 17 10.614 -1.190 -4.404
136 H SER 18 H SER 18 1.307 -1.715 -5.831
137 HA SER 18 HA SER 18 -0.290 0.308 -7.005
138 HB2 SER 18 2HB SER 18 1.455 0.299 -8.721
139 HB3 SER 18 1HB SER 18 1.268 -1.442 -8.923
140 HG SER 18 HG SER 18 0.065 -0.475 -10.508
141 H SER 19 H SER 19 0.584 -3.122 -7.057
142 HA SER 19 HA SER 19 -1.767 -4.225 -7.987
143 HB2 SER 19 2HB SER 19 -1.147 -6.235 -6.597
144 HB3 SER 19 1HB SER 19 0.143 -5.630 -7.637
145 HG SER 19 HG SER 19 1.290 -5.283 -5.924
146 H ILE 20 H ILE 20 -0.990 -3.152 -4.721
147 HA ILE 20 HA ILE 20 -3.728 -3.781 -3.873
148 HB ILE 20 HB ILE 20 -1.270 -3.099 -2.254
149 HG12 ILE 20 2HG1 ILE 20 -1.646 -5.388 -1.327
150 HG13 ILE 20 1HG1 ILE 20 -2.940 -5.612 -2.499
151 HG21 ILE 20 1HG2 ILE 20 -2.663 -3.488 -0.261
152 HG22 ILE 20 2HG2 ILE 20 -4.086 -3.601 -1.298
153 HG23 ILE 20 3HG2 ILE 20 -3.193 -2.086 -1.189
154 HD11 ILE 20 3HD1 ILE 20 -0.124 -4.973 -3.309
155 HD12 ILE 20 1HD1 ILE 20 -1.435 -5.602 -4.305
156 HD13 ILE 20 2HD1 ILE 20 -0.700 -6.621 -3.068
157 H ALA 21 H ALA 21 -4.977 -2.193 -2.745
158 HA ALA 21 HA ALA 21 -5.061 0.307 -3.966
159 HB1 ALA 21 1HB ALA 21 -6.969 -0.738 -2.821
160 HB2 ALA 21 2HB ALA 21 -6.694 0.921 -2.288
161 HB3 ALA 21 3HB ALA 21 -6.191 -0.427 -1.269
162 H TYR 22 H TYR 22 -3.411 1.690 -3.905
163 HA TYR 22 HA TYR 22 -1.613 1.973 -1.743
164 HB2 TYR 22 2HB TYR 22 -0.710 3.865 -2.970
165 HB3 TYR 22 1HB TYR 22 -1.053 2.547 -4.087
166 HD1 TYR 22 1HD TYR 22 -3.134 2.671 -5.512
167 HD2 TYR 22 2HD TYR 22 -1.726 5.977 -3.231
168 HE1 TYR 22 1HE TYR 22 -4.497 4.191 -6.882
169 HE2 TYR 22 2HE TYR 22 -3.087 7.505 -4.595
170 HH TYR 22 HH TYR 22 -5.515 6.423 -6.700
171 H GLY 23 H GLY 23 -1.264 3.886 -0.442
172 HA2 GLY 23 2HA GLY 23 -1.950 5.778 0.740
173 HA3 GLY 23 1HA GLY 23 -3.477 5.736 -0.126
174 H GLY 24 H GLY 24 -1.651 3.907 2.326
175 HA2 GLY 24 2HA GLY 24 -2.461 3.431 4.493
176 HA3 GLY 24 1HA GLY 24 -4.091 3.768 3.934
177 H GLY 25 H GLY 25 -5.195 2.163 2.682
178 HA2 GLY 25 2HA GLY 25 -5.380 -0.027 1.761
179 HA3 GLY 25 1HA GLY 25 -3.977 -0.509 2.703
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -10.950 -6.077 -7.451
2 H2 GLY 1 2HT GLY 1 -12.446 -6.824 -7.203
3 H3 GLY 1 3HT GLY 1 -11.022 -7.605 -6.729
4 HA2 GLY 1 1HA GLY 1 -12.095 -5.093 -5.565
5 HA3 GLY 1 2HA GLY 1 -12.175 -6.680 -4.815
6 H VAL 2 H VAL 2 -11.086 -5.168 -3.143
7 HA VAL 2 HA VAL 2 -8.206 -5.652 -3.348
8 HB VAL 2 HB VAL 2 -8.503 -3.313 -3.984
9 HG11 VAL 2 1HG1 VAL 2 -9.658 -2.785 -1.262
10 HG12 VAL 2 2HG1 VAL 2 -10.665 -3.063 -2.681
11 HG13 VAL 2 3HG1 VAL 2 -9.555 -1.693 -2.641
12 HG21 VAL 2 3HG2 VAL 2 -7.342 -3.646 -1.220
13 HG22 VAL 2 1HG2 VAL 2 -7.035 -2.288 -2.300
14 HG23 VAL 2 2HG2 VAL 2 -6.502 -3.908 -2.748
15 H VAL 3 H VAL 3 -7.906 -7.075 -1.758
16 HA VAL 3 HA VAL 3 -8.413 -6.289 0.966
17 HB VAL 3 HB VAL 3 -9.671 -8.333 1.569
18 HG11 VAL 3 1HG1 VAL 3 -11.088 -6.673 -0.511
19 HG12 VAL 3 2HG1 VAL 3 -10.823 -6.185 1.163
20 HG13 VAL 3 3HG1 VAL 3 -11.833 -7.585 0.802
21 HG21 VAL 3 3HG2 VAL 3 -9.904 -8.708 -1.415
22 HG22 VAL 3 1HG2 VAL 3 -10.770 -9.639 -0.192
23 HG23 VAL 3 2HG2 VAL 3 -9.013 -9.746 -0.301
24 H ARG 4 H ARG 4 -6.083 -6.822 -0.551
25 HA ARG 4 HA ARG 4 -4.969 -9.000 1.052
26 HB2 ARG 4 2HB ARG 4 -4.553 -8.753 -1.933
27 HB3 ARG 4 1HB ARG 4 -3.762 -9.917 -0.880
28 HG2 ARG 4 2HG ARG 4 -5.911 -10.944 -0.376
29 HG3 ARG 4 1HG ARG 4 -6.724 -9.760 -1.403
30 HD2 ARG 4 2HD ARG 4 -6.421 -11.860 -2.591
31 HD3 ARG 4 1HD ARG 4 -5.466 -10.579 -3.336
32 HE ARG 4 HE ARG 4 -3.828 -11.887 -1.507
33 HH11 ARG 4 1HH1 ARG 4 -5.503 -12.601 -4.485
34 HH12 ARG 4 2HH1 ARG 4 -4.359 -13.801 -4.986
35 HH21 ARG 4 1HH2 ARG 4 -2.321 -13.463 -2.168
36 HH22 ARG 4 2HH2 ARG 4 -2.553 -14.290 -3.671
37 H GLN 5 H GLN 5 -3.484 -7.976 2.230
38 HA GLN 5 HA GLN 5 -1.900 -5.843 0.994
39 HB2 GLN 5 2HB GLN 5 -1.297 -5.183 3.246
40 HB3 GLN 5 1HB GLN 5 -3.044 -5.340 3.124
41 HG2 GLN 5 2HG GLN 5 -2.916 -7.538 4.190
42 HG3 GLN 5 1HG GLN 5 -1.167 -7.361 4.327
43 HE21 GLN 5 1HE2 GLN 5 -0.317 -5.904 5.811
44 HE22 GLN 5 2HE2 GLN 5 -1.262 -5.247 7.100
45 H TRP 6 H TRP 6 0.424 -5.730 1.854
46 HA TRP 6 HA TRP 6 1.757 -8.115 2.589
47 HB2 TRP 6 2HB TRP 6 2.857 -8.710 0.540
48 HB3 TRP 6 1HB TRP 6 1.132 -8.639 0.211
49 HD1 TRP 6 HD TRP 6 0.444 -5.920 -0.690
50 HE1 TRP 6 1HE TRP 6 1.572 -4.714 -2.664
51 HE3 TRP 6 3HE TRP 6 4.814 -8.559 -0.845
52 HZ2 TRP 6 2HZ TRP 6 4.009 -4.862 -4.093
53 HZ3 TRP 6 3HZ TRP 6 6.493 -7.965 -2.544
54 HH2 TRP 6 HH TRP 6 6.095 -6.155 -4.134
55 H SER 7 H SER 7 4.246 -7.472 1.189
56 HA SER 7 HA SER 7 5.011 -5.188 2.832
57 HB2 SER 7 2HB SER 7 6.709 -7.190 1.326
58 HB3 SER 7 1HB SER 7 7.328 -5.919 2.379
59 HG SER 7 HG SER 7 6.274 -6.909 4.114
60 H GLY 8 H GLY 8 3.528 -4.870 0.278
61 HA2 GLY 8 2HA GLY 8 5.393 -3.840 -1.645
62 HA3 GLY 8 1HA GLY 8 3.646 -3.683 -1.699
63 H TYR 9 H TYR 9 3.603 -2.506 1.028
64 HA TYR 9 HA TYR 9 3.471 0.168 0.413
65 HB2 TYR 9 2HB TYR 9 2.523 -0.735 2.462
66 HB3 TYR 9 1HB TYR 9 4.133 -1.089 3.085
67 HD1 TYR 9 2HD TYR 9 1.759 1.616 2.263
68 HD2 TYR 9 1HD TYR 9 5.465 0.614 4.100
69 HE1 TYR 9 2HE TYR 9 1.844 3.846 3.297
70 HE2 TYR 9 1HE TYR 9 5.561 2.840 5.138
71 HH TYR 9 HH TYR 9 2.901 4.939 5.234
72 H ASP 10 H ASP 10 4.942 1.577 -0.225
73 HA ASP 10 HA ASP 10 7.750 1.134 0.496
74 HB2 ASP 10 2HB ASP 10 7.237 1.286 -1.910
75 HB3 ASP 10 1HB ASP 10 6.566 2.895 -1.660
76 HA PRO 11 HA PRO 11 6.736 4.530 3.405
77 HB2 PRO 11 2HB PRO 11 9.140 4.227 4.759
78 HB3 PRO 11 1HB PRO 11 7.634 3.386 5.169
79 HG2 PRO 11 2HG PRO 11 9.983 2.405 3.645
80 HG3 PRO 11 1HG PRO 11 8.937 1.550 4.797
81 HD2 PRO 11 2HD PRO 11 8.713 1.193 2.143
82 HD3 PRO 11 1HD PRO 11 7.307 1.138 3.226
83 H ARG 12 H ARG 12 9.459 3.957 1.320
84 HA ARG 12 HA ARG 12 10.799 6.421 1.727
85 HB2 ARG 12 2HB ARG 12 10.802 4.580 -0.672
86 HB3 ARG 12 1HB ARG 12 11.925 5.907 -0.419
87 HG2 ARG 12 2HG ARG 12 12.770 4.808 1.594
88 HG3 ARG 12 1HG ARG 12 11.644 3.475 1.333
89 HD2 ARG 12 2HD ARG 12 13.839 4.325 -0.554
90 HD3 ARG 12 1HD ARG 12 13.899 2.938 0.533
91 HE ARG 12 HE ARG 12 11.627 2.710 -1.089
92 HH11 ARG 12 2HH1 ARG 12 15.104 2.582 -1.345
93 HH12 ARG 12 1HH1 ARG 12 15.090 1.502 -2.698
94 HH21 ARG 12 1HH2 ARG 12 11.604 1.290 -2.869
95 HH22 ARG 12 2HH2 ARG 12 13.104 0.769 -3.565
96 H THR 13 H THR 13 8.125 5.427 -0.299
97 HA THR 13 HA THR 13 7.952 8.172 -1.342
98 HB THR 13 HB THR 13 6.676 7.274 -3.245
99 HG1 THR 13 1HG THR 13 5.934 5.355 -2.103
100 HG21 THR 13 3HG2 THR 13 8.534 6.142 -4.383
101 HG22 THR 13 1HG2 THR 13 9.342 5.914 -2.833
102 HG23 THR 13 2HG2 THR 13 9.096 7.540 -3.468
103 H GLY 14 H GLY 14 6.792 6.619 1.091
104 HA2 GLY 14 2HA GLY 14 4.803 6.488 2.249
105 HA3 GLY 14 1HA GLY 14 4.597 8.120 1.639
106 H THR 15 H THR 15 4.665 5.284 -0.432
107 HA THR 15 HA THR 15 1.774 5.181 -0.609
108 HB THR 15 HB THR 15 1.712 5.565 -3.044
109 HG1 THR 15 1HG THR 15 3.606 5.469 -3.993
110 HG21 THR 15 3HG2 THR 15 2.899 7.883 -1.512
111 HG22 THR 15 1HG2 THR 15 1.201 7.407 -1.492
112 HG23 THR 15 2HG2 THR 15 1.934 7.991 -2.985
113 H TRP 16 H TRP 16 0.990 3.321 -1.610
114 HA TRP 16 HA TRP 16 2.725 1.068 -1.530
115 HB2 TRP 16 2HB TRP 16 -0.140 1.434 -2.399
116 HB3 TRP 16 1HB TRP 16 0.672 -0.128 -2.472
117 HD1 TRP 16 HD TRP 16 -0.424 2.523 0.112
118 HE1 TRP 16 1HE TRP 16 -0.737 1.350 2.381
119 HE3 TRP 16 3HE TRP 16 1.246 -2.142 -1.148
120 HZ2 TRP 16 2HZ TRP 16 -0.329 -1.212 3.491
121 HZ3 TRP 16 3HZ TRP 16 1.250 -3.897 0.576
122 HH2 TRP 16 HH TRP 16 0.481 -3.440 2.846
123 H ARG 17 H ARG 17 3.301 -0.341 -3.244
124 HA ARG 17 HA ARG 17 3.614 1.055 -5.801
125 HB2 ARG 17 2HB ARG 17 5.398 -0.565 -6.263
126 HB3 ARG 17 1HB ARG 17 5.677 0.286 -4.750
127 HG2 ARG 17 2HG ARG 17 4.815 -1.647 -3.514
128 HG3 ARG 17 1HG ARG 17 4.578 -2.500 -5.040
129 HD2 ARG 17 2HD ARG 17 7.209 -1.503 -3.954
130 HD3 ARG 17 1HD ARG 17 6.660 -3.178 -3.956
131 HE ARG 17 HE ARG 17 6.595 -2.209 -6.585
132 HH11 ARG 17 2HH1 ARG 17 8.912 -3.029 -4.106
133 HH12 ARG 17 1HH1 ARG 17 10.158 -3.449 -5.235
134 HH21 ARG 17 2HH2 ARG 17 8.231 -2.761 -8.070
135 HH22 ARG 17 1HH2 ARG 17 9.772 -3.296 -7.484
136 H SER 18 H SER 18 2.597 -2.048 -4.451
137 HA SER 18 HA SER 18 1.930 -3.263 -6.911
138 HB2 SER 18 2HB SER 18 0.616 -4.853 -5.514
139 HB3 SER 18 1HB SER 18 2.259 -4.613 -4.921
140 HG SER 18 HG SER 18 0.068 -3.123 -3.932
141 H SER 19 H SER 19 -0.477 -4.097 -7.146
142 HA SER 19 HA SER 19 -2.018 -1.810 -7.834
143 HB2 SER 19 2HB SER 19 -2.797 -4.734 -7.764
144 HB3 SER 19 1HB SER 19 -3.734 -3.450 -8.525
145 HG SER 19 HG SER 19 -1.049 -4.018 -9.219
146 H ILE 20 H ILE 20 -1.634 -3.457 -4.911
147 HA ILE 20 HA ILE 20 -4.193 -3.437 -3.808
148 HB ILE 20 HB ILE 20 -1.609 -2.913 -2.334
149 HG12 ILE 20 2HG1 ILE 20 -1.378 -4.950 -3.610
150 HG13 ILE 20 1HG1 ILE 20 -1.640 -5.377 -1.922
151 HG21 ILE 20 1HG2 ILE 20 -4.302 -3.907 -1.419
152 HG22 ILE 20 2HG2 ILE 20 -3.491 -2.414 -0.945
153 HG23 ILE 20 3HG2 ILE 20 -2.839 -3.970 -0.439
154 HD11 ILE 20 3HD1 ILE 20 -3.653 -5.488 -4.153
155 HD12 ILE 20 1HD1 ILE 20 -4.026 -5.778 -2.454
156 HD13 ILE 20 2HD1 ILE 20 -2.914 -6.848 -3.308
157 H ALA 21 H ALA 21 -5.095 -1.964 -2.200
158 HA ALA 21 HA ALA 21 -5.408 0.625 -3.089
159 HB1 ALA 21 1HB ALA 21 -6.420 1.117 -0.936
160 HB2 ALA 21 2HB ALA 21 -5.699 -0.337 -0.246
161 HB3 ALA 21 3HB ALA 21 -6.923 -0.474 -1.508
162 H TYR 22 H TYR 22 -4.144 2.347 -3.114
163 HA TYR 22 HA TYR 22 -1.684 2.343 -1.555
164 HB2 TYR 22 2HB TYR 22 -0.991 4.195 -2.974
165 HB3 TYR 22 1HB TYR 22 -1.590 2.870 -3.968
166 HD1 TYR 22 2HD TYR 22 -3.910 3.043 -4.945
167 HD2 TYR 22 1HD TYR 22 -1.973 6.338 -3.078
168 HE1 TYR 22 2HE TYR 22 -5.472 4.583 -6.056
169 HE2 TYR 22 1HE TYR 22 -3.531 7.887 -4.181
170 HH TYR 22 HH TYR 22 -4.982 7.937 -6.165
171 H GLY 23 H GLY 23 -0.979 4.344 -0.480
172 HA2 GLY 23 2HA GLY 23 -1.348 6.273 0.775
173 HA3 GLY 23 1HA GLY 23 -3.043 6.216 0.320
174 H GLY 24 H GLY 24 -4.014 3.941 1.222
175 HA2 GLY 24 2HA GLY 24 -3.687 4.204 4.121
176 HA3 GLY 24 1HA GLY 24 -5.037 3.437 3.297
177 H GLY 25 H GLY 25 -5.110 1.299 3.436
178 HA2 GLY 25 2HA GLY 25 -3.286 -0.573 2.805
179 HA3 GLY 25 1HA GLY 25 -2.809 -0.146 4.441
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -13.825 -2.136 0.071
2 H2 GLY 1 2HT GLY 1 -15.089 -3.118 -0.472
3 H3 GLY 1 3HT GLY 1 -13.673 -2.981 -1.387
4 HA2 GLY 1 1HA GLY 1 -13.894 -4.217 1.304
5 HA3 GLY 1 2HA GLY 1 -13.726 -5.090 -0.212
6 H VAL 2 H VAL 2 -12.018 -4.891 2.258
7 HA VAL 2 HA VAL 2 -9.576 -3.696 1.202
8 HB VAL 2 HB VAL 2 -10.131 -3.297 3.559
9 HG11 VAL 2 1HG1 VAL 2 -9.975 -5.129 5.190
10 HG12 VAL 2 2HG1 VAL 2 -9.809 -6.280 3.865
11 HG13 VAL 2 3HG1 VAL 2 -11.303 -5.362 4.054
12 HG21 VAL 2 3HG2 VAL 2 -7.957 -3.897 4.520
13 HG22 VAL 2 1HG2 VAL 2 -7.794 -3.268 2.879
14 HG23 VAL 2 2HG2 VAL 2 -7.673 -5.002 3.175
15 H VAL 3 H VAL 3 -7.881 -4.815 0.427
16 HA VAL 3 HA VAL 3 -8.175 -7.727 0.229
17 HB VAL 3 HB VAL 3 -6.511 -7.601 -1.580
18 HG11 VAL 3 1HG1 VAL 3 -8.873 -7.426 -2.131
19 HG12 VAL 3 2HG1 VAL 3 -7.906 -6.428 -3.217
20 HG13 VAL 3 3HG1 VAL 3 -8.810 -5.678 -1.903
21 HG21 VAL 3 3HG2 VAL 3 -5.727 -5.474 -2.421
22 HG22 VAL 3 1HG2 VAL 3 -5.280 -5.644 -0.723
23 HG23 VAL 3 2HG2 VAL 3 -6.638 -4.616 -1.178
24 H ARG 4 H ARG 4 -5.729 -8.678 -0.118
25 HA ARG 4 HA ARG 4 -4.602 -8.567 2.504
26 HB2 ARG 4 2HB ARG 4 -3.537 -9.938 0.031
27 HB3 ARG 4 1HB ARG 4 -3.033 -10.246 1.687
28 HG2 ARG 4 2HG ARG 4 -5.728 -10.812 0.473
29 HG3 ARG 4 1HG ARG 4 -4.520 -11.986 1.003
30 HD2 ARG 4 2HD ARG 4 -5.930 -10.016 2.798
31 HD3 ARG 4 1HD ARG 4 -6.376 -11.712 2.613
32 HE ARG 4 HE ARG 4 -3.671 -11.577 3.317
33 HH11 ARG 4 1HH1 ARG 4 -6.805 -10.920 4.702
34 HH12 ARG 4 2HH1 ARG 4 -6.292 -11.234 6.327
35 HH21 ARG 4 1HH2 ARG 4 -2.993 -11.991 5.450
36 HH22 ARG 4 2HH2 ARG 4 -4.127 -11.842 6.751
37 H GLN 5 H GLN 5 -2.575 -7.869 3.145
38 HA GLN 5 HA GLN 5 -1.422 -5.774 1.452
39 HB2 GLN 5 2HB GLN 5 -2.107 -5.078 3.684
40 HB3 GLN 5 1HB GLN 5 -1.110 -6.332 4.408
41 HG2 GLN 5 2HG GLN 5 0.894 -5.239 3.557
42 HG3 GLN 5 1HG GLN 5 -0.098 -3.990 2.807
43 HE21 GLN 5 1HE2 GLN 5 1.130 -5.278 5.789
44 HE22 GLN 5 2HE2 GLN 5 0.729 -3.920 6.778
45 H TRP 6 H TRP 6 0.941 -5.527 1.439
46 HA TRP 6 HA TRP 6 2.640 -7.661 2.231
47 HB2 TRP 6 2HB TRP 6 3.190 -8.631 0.116
48 HB3 TRP 6 1HB TRP 6 1.436 -8.655 0.244
49 HD1 TRP 6 HD TRP 6 0.489 -6.007 -0.858
50 HE1 TRP 6 1HE TRP 6 0.963 -5.254 -3.273
51 HE3 TRP 6 3HE TRP 6 4.545 -8.954 -1.843
52 HZ2 TRP 6 2HZ TRP 6 2.814 -5.831 -5.324
53 HZ3 TRP 6 3HZ TRP 6 5.610 -8.794 -4.057
54 HH2 TRP 6 HH TRP 6 4.762 -7.264 -5.760
55 H SER 7 H SER 7 4.659 -7.305 0.258
56 HA SER 7 HA SER 7 6.009 -5.087 1.247
57 HB2 SER 7 2HB SER 7 7.159 -6.952 0.165
58 HB3 SER 7 1HB SER 7 6.430 -6.525 -1.383
59 HG SER 7 HG SER 7 8.668 -5.589 -0.310
60 H GLY 8 H GLY 8 3.549 -5.217 -1.143
61 HA2 GLY 8 2HA GLY 8 4.067 -3.210 -2.908
62 HA3 GLY 8 1HA GLY 8 2.471 -3.503 -2.239
63 H TYR 9 H TYR 9 3.404 -2.823 0.498
64 HA TYR 9 HA TYR 9 2.955 0.015 0.298
65 HB2 TYR 9 2HB TYR 9 1.845 -1.212 2.071
66 HB3 TYR 9 1HB TYR 9 3.390 -1.785 2.691
67 HD1 TYR 9 2HD TYR 9 1.738 1.477 1.880
68 HD2 TYR 9 1HD TYR 9 4.214 -0.717 4.557
69 HE1 TYR 9 2HE TYR 9 1.866 3.436 3.359
70 HE2 TYR 9 1HE TYR 9 4.350 1.237 6.042
71 HH TYR 9 HH TYR 9 4.099 3.680 5.900
72 H ASP 10 H ASP 10 4.518 1.439 0.002
73 HA ASP 10 HA ASP 10 7.236 0.768 0.897
74 HB2 ASP 10 2HB ASP 10 6.313 2.714 -1.224
75 HB3 ASP 10 1HB ASP 10 7.990 2.462 -0.751
76 HA PRO 11 HA PRO 11 5.995 3.920 4.000
77 HB2 PRO 11 2HB PRO 11 8.197 3.335 5.592
78 HB3 PRO 11 1HB PRO 11 6.605 2.570 5.741
79 HG2 PRO 11 2HG PRO 11 9.059 1.566 4.411
80 HG3 PRO 11 1HG PRO 11 7.833 0.688 5.345
81 HD2 PRO 11 2HD PRO 11 7.908 0.579 2.665
82 HD3 PRO 11 1HD PRO 11 6.376 0.546 3.563
83 H ARG 12 H ARG 12 8.892 3.393 2.171
84 HA ARG 12 HA ARG 12 10.307 5.717 2.995
85 HB2 ARG 12 2HB ARG 12 10.560 4.313 0.334
86 HB3 ARG 12 1HB ARG 12 11.775 5.283 1.154
87 HG2 ARG 12 2HG ARG 12 11.933 3.594 2.916
88 HG3 ARG 12 1HG ARG 12 10.722 2.619 2.080
89 HD2 ARG 12 2HD ARG 12 12.258 2.621 0.086
90 HD3 ARG 12 1HD ARG 12 13.484 3.345 1.128
91 HE ARG 12 HE ARG 12 12.340 0.911 2.157
92 HH11 ARG 12 2HH1 ARG 12 14.844 2.291 0.156
93 HH12 ARG 12 1HH1 ARG 12 15.895 0.923 0.311
94 HH21 ARG 12 1HH2 ARG 12 13.723 -0.888 2.364
95 HH22 ARG 12 2HH2 ARG 12 15.259 -0.881 1.563
96 H THR 13 H THR 13 8.134 4.995 0.294
97 HA THR 13 HA THR 13 8.169 7.824 -0.461
98 HB THR 13 HB THR 13 7.256 7.194 -2.582
99 HG1 THR 13 1HG THR 13 5.792 5.604 -2.066
100 HG21 THR 13 3HG2 THR 13 9.352 5.179 -1.751
101 HG22 THR 13 1HG2 THR 13 9.657 6.813 -2.346
102 HG23 THR 13 2HG2 THR 13 8.941 5.605 -3.414
103 H GLY 14 H GLY 14 6.605 6.278 1.736
104 HA2 GLY 14 2HA GLY 14 4.502 6.317 2.672
105 HA3 GLY 14 1HA GLY 14 4.462 7.951 2.033
106 H THR 15 H THR 15 4.661 5.181 -0.077
107 HA THR 15 HA THR 15 1.799 5.217 -0.593
108 HB THR 15 HB THR 15 2.103 5.525 -3.025
109 HG1 THR 15 1HG THR 15 4.151 6.372 -3.724
110 HG21 THR 15 3HG2 THR 15 2.507 7.944 -2.980
111 HG22 THR 15 1HG2 THR 15 3.181 7.801 -1.357
112 HG23 THR 15 2HG2 THR 15 1.477 7.441 -1.639
113 H TRP 16 H TRP 16 1.070 3.432 -1.857
114 HA TRP 16 HA TRP 16 2.703 1.080 -1.476
115 HB2 TRP 16 2HB TRP 16 -0.083 1.415 -2.605
116 HB3 TRP 16 1HB TRP 16 0.692 -0.133 -2.278
117 HD1 TRP 16 HD TRP 16 0.169 3.068 -0.118
118 HE1 TRP 16 1HE TRP 16 -0.747 2.325 2.169
119 HE3 TRP 16 3HE TRP 16 -0.043 -1.974 -0.926
120 HZ2 TRP 16 2HZ TRP 16 -1.464 -0.081 3.461
121 HZ3 TRP 16 3HZ TRP 16 -0.855 -3.425 0.885
122 HH2 TRP 16 HH TRP 16 -1.551 -2.498 3.033
123 H ARG 17 H ARG 17 2.261 -0.600 -3.460
124 HA ARG 17 HA ARG 17 3.720 0.596 -5.665
125 HB2 ARG 17 2HB ARG 17 3.015 -2.254 -4.985
126 HB3 ARG 17 1HB ARG 17 3.819 -1.804 -6.482
127 HG2 ARG 17 2HG ARG 17 4.876 -1.268 -3.714
128 HG3 ARG 17 1HG ARG 17 5.385 -2.589 -4.767
129 HD2 ARG 17 2HD ARG 17 6.135 -0.949 -6.435
130 HD3 ARG 17 1HD ARG 17 5.656 0.358 -5.352
131 HE ARG 17 HE ARG 17 7.423 -1.328 -3.985
132 HH11 ARG 17 2HH1 ARG 17 7.431 0.919 -6.657
133 HH12 ARG 17 1HH1 ARG 17 9.092 1.358 -6.446
134 HH21 ARG 17 2HH2 ARG 17 9.609 -0.750 -3.706
135 HH22 ARG 17 1HH2 ARG 17 10.329 0.411 -4.771
136 H SER 18 H SER 18 1.223 -1.912 -5.866
137 HA SER 18 HA SER 18 -0.668 -0.303 -7.230
138 HB2 SER 18 2HB SER 18 0.988 -0.371 -9.029
139 HB3 SER 18 1HB SER 18 1.016 -2.133 -8.956
140 HG SER 18 HG SER 18 -1.209 -2.094 -9.550
141 H SER 19 H SER 19 0.630 -3.564 -6.787
142 HA SER 19 HA SER 19 -1.566 -5.096 -7.419
143 HB2 SER 19 2HB SER 19 0.599 -6.068 -6.829
144 HB3 SER 19 1HB SER 19 0.395 -5.545 -5.157
145 HG SER 19 HG SER 19 -1.441 -6.918 -5.046
146 H ILE 20 H ILE 20 -0.940 -3.302 -4.459
147 HA ILE 20 HA ILE 20 -3.673 -3.956 -3.561
148 HB ILE 20 HB ILE 20 -1.337 -3.223 -1.790
149 HG12 ILE 20 2HG1 ILE 20 -0.949 -5.413 -2.760
150 HG13 ILE 20 1HG1 ILE 20 -1.420 -5.602 -1.075
151 HG21 ILE 20 1HG2 ILE 20 -2.866 -4.049 0.009
152 HG22 ILE 20 2HG2 ILE 20 -4.152 -4.105 -1.194
153 HG23 ILE 20 3HG2 ILE 20 -3.399 -2.566 -0.784
154 HD11 ILE 20 3HD1 ILE 20 -2.493 -7.265 -2.464
155 HD12 ILE 20 1HD1 ILE 20 -3.199 -6.000 -3.467
156 HD13 ILE 20 2HD1 ILE 20 -3.692 -6.165 -1.783
157 H ALA 21 H ALA 21 -4.782 -2.264 -2.363
158 HA ALA 21 HA ALA 21 -4.912 0.158 -3.650
159 HB1 ALA 21 1HB ALA 21 -6.646 -0.685 -2.141
160 HB2 ALA 21 2HB ALA 21 -6.198 0.976 -1.754
161 HB3 ALA 21 3HB ALA 21 -5.600 -0.352 -0.760
162 H TYR 22 H TYR 22 -3.860 2.059 -3.581
163 HA TYR 22 HA TYR 22 -1.598 2.271 -1.720
164 HB2 TYR 22 2HB TYR 22 -0.631 3.862 -3.309
165 HB3 TYR 22 1HB TYR 22 -1.012 2.339 -4.105
166 HD1 TYR 22 1HD TYR 22 -3.037 2.195 -5.570
167 HD2 TYR 22 2HD TYR 22 -1.635 5.893 -4.005
168 HE1 TYR 22 1HE TYR 22 -4.356 3.402 -7.258
169 HE2 TYR 22 2HE TYR 22 -2.952 7.111 -5.687
170 HH TYR 22 HH TYR 22 -5.350 5.626 -7.574
171 H GLY 23 H GLY 23 -1.038 4.472 -0.978
172 HA2 GLY 23 2HA GLY 23 -1.585 6.599 -0.196
173 HA3 GLY 23 1HA GLY 23 -3.177 6.425 -0.917
174 H GLY 24 H GLY 24 -1.479 4.399 1.462
175 HA2 GLY 24 2HA GLY 24 -2.092 4.785 3.860
176 HA3 GLY 24 1HA GLY 24 -3.752 4.869 3.292
177 H GLY 25 H GLY 25 -4.855 2.985 2.783
178 HA2 GLY 25 2HA GLY 25 -4.957 0.632 2.361
179 HA3 GLY 25 1HA GLY 25 -3.408 0.454 3.171
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -9.024 -3.890 -6.728
2 H2 GLY 1 2HT GLY 1 -10.404 -4.767 -7.160
3 H3 GLY 1 3HT GLY 1 -9.006 -5.581 -6.666
4 HA2 GLY 1 1HA GLY 1 -10.677 -3.811 -4.967
5 HA3 GLY 1 2HA GLY 1 -10.659 -5.566 -4.903
6 H VAL 2 H VAL 2 -10.202 -4.508 -2.581
7 HA VAL 2 HA VAL 2 -7.320 -4.865 -2.182
8 HB VAL 2 HB VAL 2 -7.687 -2.453 -2.151
9 HG11 VAL 2 1HG1 VAL 2 -9.493 -2.809 0.223
10 HG12 VAL 2 2HG1 VAL 2 -10.115 -2.685 -1.422
11 HG13 VAL 2 3HG1 VAL 2 -9.193 -1.352 -0.725
12 HG21 VAL 2 3HG2 VAL 2 -6.005 -3.415 -0.655
13 HG22 VAL 2 1HG2 VAL 2 -7.216 -3.554 0.619
14 HG23 VAL 2 2HG2 VAL 2 -6.729 -1.963 0.034
15 H VAL 3 H VAL 3 -7.307 -6.741 -1.102
16 HA VAL 3 HA VAL 3 -8.474 -6.833 1.531
17 HB VAL 3 HB VAL 3 -9.646 -8.998 1.151
18 HG11 VAL 3 1HG1 VAL 3 -10.861 -6.852 1.238
19 HG12 VAL 3 2HG1 VAL 3 -11.655 -8.042 0.207
20 HG13 VAL 3 3HG1 VAL 3 -10.726 -6.729 -0.517
21 HG21 VAL 3 3HG2 VAL 3 -9.227 -8.333 -1.762
22 HG22 VAL 3 1HG2 VAL 3 -10.245 -9.632 -1.141
23 HG23 VAL 3 2HG2 VAL 3 -8.500 -9.680 -0.886
24 H ARG 4 H ARG 4 -5.843 -6.900 0.396
25 HA ARG 4 HA ARG 4 -4.740 -9.024 1.905
26 HB2 ARG 4 2HB ARG 4 -3.604 -10.153 -0.078
27 HB3 ARG 4 1HB ARG 4 -5.309 -10.507 0.166
28 HG2 ARG 4 2HG ARG 4 -5.898 -8.901 -1.574
29 HG3 ARG 4 1HG ARG 4 -4.187 -8.538 -1.817
30 HD2 ARG 4 2HD ARG 4 -5.509 -11.219 -2.223
31 HD3 ARG 4 1HD ARG 4 -5.014 -10.107 -3.498
32 HE ARG 4 HE ARG 4 -2.751 -10.591 -2.009
33 HH11 ARG 4 1HH1 ARG 4 -5.013 -12.509 -3.847
34 HH12 ARG 4 2HH1 ARG 4 -3.840 -13.711 -4.273
35 HH21 ARG 4 1HH2 ARG 4 -1.207 -12.169 -2.567
36 HH22 ARG 4 2HH2 ARG 4 -1.680 -13.518 -3.546
37 H GLN 5 H GLN 5 -3.041 -8.033 2.750
38 HA GLN 5 HA GLN 5 -1.573 -6.081 1.131
39 HB2 GLN 5 2HB GLN 5 -2.332 -5.207 3.235
40 HB3 GLN 5 1HB GLN 5 -1.655 -6.574 4.108
41 HG2 GLN 5 2HG GLN 5 0.583 -5.848 3.605
42 HG3 GLN 5 1HG GLN 5 -0.031 -4.548 2.586
43 HE21 GLN 5 1HE2 GLN 5 0.988 -2.962 3.794
44 HE22 GLN 5 2HE2 GLN 5 0.447 -2.507 5.371
45 H TRP 6 H TRP 6 0.790 -6.008 1.369
46 HA TRP 6 HA TRP 6 2.125 -8.455 2.150
47 HB2 TRP 6 2HB TRP 6 3.045 -8.971 -0.010
48 HB3 TRP 6 1HB TRP 6 1.303 -8.829 -0.201
49 HD1 TRP 6 HD TRP 6 0.554 -6.167 -1.022
50 HE1 TRP 6 1HE TRP 6 1.614 -4.825 -2.945
51 HE3 TRP 6 3HE TRP 6 5.021 -8.627 -1.351
52 HZ2 TRP 6 2HZ TRP 6 4.031 -4.814 -4.410
53 HZ3 TRP 6 3HZ TRP 6 6.652 -7.889 -3.040
54 HH2 TRP 6 HH TRP 6 6.166 -6.023 -4.536
55 H SER 7 H SER 7 4.498 -7.741 0.502
56 HA SER 7 HA SER 7 5.472 -5.600 2.229
57 HB2 SER 7 2HB SER 7 6.800 -7.652 2.134
58 HB3 SER 7 1HB SER 7 6.961 -7.486 0.387
59 HG SER 7 HG SER 7 8.362 -5.884 0.648
60 H GLY 8 H GLY 8 3.698 -4.924 0.051
61 HA2 GLY 8 2HA GLY 8 5.417 -3.725 -1.975
62 HA3 GLY 8 1HA GLY 8 3.662 -3.738 -1.976
63 H TYR 9 H TYR 9 3.525 -2.759 0.804
64 HA TYR 9 HA TYR 9 3.245 -0.042 0.329
65 HB2 TYR 9 2HB TYR 9 2.172 -1.151 2.216
66 HB3 TYR 9 1HB TYR 9 3.739 -1.453 2.959
67 HD1 TYR 9 1HD TYR 9 1.611 1.369 1.756
68 HD2 TYR 9 2HD TYR 9 4.532 0.037 4.546
69 HE1 TYR 9 1HE TYR 9 1.454 3.521 2.938
70 HE2 TYR 9 2HE TYR 9 4.385 2.184 5.736
71 HH TYR 9 HH TYR 9 3.709 4.510 5.263
72 H ASP 10 H ASP 10 4.728 1.427 -0.144
73 HA ASP 10 HA ASP 10 7.466 1.064 0.835
74 HB2 ASP 10 2HB ASP 10 7.174 1.343 -1.595
75 HB3 ASP 10 1HB ASP 10 6.411 2.907 -1.320
76 HA PRO 11 HA PRO 11 6.305 4.289 3.800
77 HB2 PRO 11 2HB PRO 11 8.979 3.800 4.899
78 HB3 PRO 11 1HB PRO 11 7.397 3.572 5.664
79 HG2 PRO 11 2HG PRO 11 8.989 1.519 4.965
80 HG3 PRO 11 1HG PRO 11 7.218 1.414 4.985
81 HD2 PRO 11 2HD PRO 11 9.065 1.723 2.666
82 HD3 PRO 11 1HD PRO 11 7.558 0.795 2.799
83 H ARG 12 H ARG 12 9.409 3.944 2.162
84 HA ARG 12 HA ARG 12 10.483 6.459 2.585
85 HB2 ARG 12 2HB ARG 12 10.681 4.754 0.096
86 HB3 ARG 12 1HB ARG 12 11.744 6.096 0.491
87 HG2 ARG 12 2HG ARG 12 12.544 4.914 2.454
88 HG3 ARG 12 1HG ARG 12 11.438 3.581 2.118
89 HD2 ARG 12 2HD ARG 12 13.679 4.508 0.325
90 HD3 ARG 12 1HD ARG 12 13.719 3.087 1.368
91 HE ARG 12 HE ARG 12 11.505 3.000 -0.409
92 HH11 ARG 12 2HH1 ARG 12 14.958 2.517 -0.260
93 HH12 ARG 12 1HH1 ARG 12 14.984 1.393 -1.576
94 HH21 ARG 12 1HH2 ARG 12 11.537 1.520 -2.142
95 HH22 ARG 12 2HH2 ARG 12 13.042 0.827 -2.645
96 H THR 13 H THR 13 7.917 5.484 0.418
97 HA THR 13 HA THR 13 7.698 8.277 -0.483
98 HB THR 13 HB THR 13 6.629 7.465 -2.546
99 HG1 THR 13 1HG THR 13 7.154 4.938 -1.361
100 HG21 THR 13 3HG2 THR 13 9.329 6.218 -2.011
101 HG22 THR 13 1HG2 THR 13 9.037 7.872 -2.551
102 HG23 THR 13 2HG2 THR 13 8.632 6.517 -3.603
103 H GLY 14 H GLY 14 6.417 6.393 1.684
104 HA2 GLY 14 2HA GLY 14 4.341 6.073 2.639
105 HA3 GLY 14 1HA GLY 14 4.132 7.763 2.213
106 H THR 15 H THR 15 4.487 5.255 -0.205
107 HA THR 15 HA THR 15 1.608 5.201 -0.674
108 HB THR 15 HB THR 15 1.917 5.640 -3.100
109 HG1 THR 15 1HG THR 15 3.932 6.688 -3.680
110 HG21 THR 15 3HG2 THR 15 1.145 7.432 -1.641
111 HG22 THR 15 1HG2 THR 15 2.198 8.078 -2.901
112 HG23 THR 15 2HG2 THR 15 2.812 7.863 -1.261
113 H TRP 16 H TRP 16 0.903 3.457 -1.966
114 HA TRP 16 HA TRP 16 2.600 1.134 -1.775
115 HB2 TRP 16 2HB TRP 16 -0.213 1.484 -2.825
116 HB3 TRP 16 1HB TRP 16 0.596 -0.068 -2.637
117 HD1 TRP 16 HD TRP 16 -0.197 2.959 -0.321
118 HE1 TRP 16 1HE TRP 16 -0.933 2.031 1.962
119 HE3 TRP 16 3HE TRP 16 0.306 -2.040 -1.275
120 HZ2 TRP 16 2HZ TRP 16 -1.257 -0.484 3.197
121 HZ3 TRP 16 3HZ TRP 16 -0.237 -3.640 0.514
122 HH2 TRP 16 HH TRP 16 -1.003 -2.876 2.703
123 H ARG 17 H ARG 17 2.446 -0.437 -3.762
124 HA ARG 17 HA ARG 17 2.929 1.078 -6.231
125 HB2 ARG 17 2HB ARG 17 4.836 -0.431 -6.734
126 HB3 ARG 17 1HB ARG 17 5.108 0.589 -5.328
127 HG2 ARG 17 2HG ARG 17 4.553 -1.287 -3.861
128 HG3 ARG 17 1HG ARG 17 4.292 -2.310 -5.276
129 HD2 ARG 17 2HD ARG 17 6.505 -2.677 -4.313
130 HD3 ARG 17 1HD ARG 17 6.617 -2.003 -5.939
131 HE ARG 17 HE ARG 17 6.683 0.105 -4.101
132 HH11 ARG 17 2HH1 ARG 17 8.646 -2.605 -5.095
133 HH12 ARG 17 1HH1 ARG 17 10.139 -1.836 -4.674
134 HH21 ARG 17 2HH2 ARG 17 8.646 1.117 -3.546
135 HH22 ARG 17 1HH2 ARG 17 10.141 0.276 -3.794
136 H SER 18 H SER 18 2.286 -2.089 -4.806
137 HA SER 18 HA SER 18 1.663 -3.405 -7.226
138 HB2 SER 18 2HB SER 18 2.209 -4.596 -5.123
139 HB3 SER 18 1HB SER 18 0.682 -4.045 -4.435
140 HG SER 18 HG SER 18 0.590 -6.180 -5.337
141 H SER 19 H SER 19 -0.750 -4.579 -6.995
142 HA SER 19 HA SER 19 -2.516 -2.563 -7.932
143 HB2 SER 19 2HB SER 19 -3.067 -5.449 -7.202
144 HB3 SER 19 1HB SER 19 -4.170 -4.396 -8.089
145 HG SER 19 HG SER 19 -1.532 -4.923 -8.967
146 H ILE 20 H ILE 20 -1.736 -3.594 -4.802
147 HA ILE 20 HA ILE 20 -4.211 -3.405 -3.491
148 HB ILE 20 HB ILE 20 -1.496 -2.714 -2.360
149 HG12 ILE 20 2HG1 ILE 20 -1.444 -4.947 -3.308
150 HG13 ILE 20 1HG1 ILE 20 -1.500 -5.068 -1.551
151 HG21 ILE 20 1HG2 ILE 20 -4.075 -3.519 -1.022
152 HG22 ILE 20 2HG2 ILE 20 -3.298 -1.937 -0.948
153 HG23 ILE 20 3HG2 ILE 20 -2.522 -3.336 -0.205
154 HD11 ILE 20 3HD1 ILE 20 -3.889 -5.549 -1.664
155 HD12 ILE 20 1HD1 ILE 20 -2.944 -6.712 -2.594
156 HD13 ILE 20 2HD1 ILE 20 -3.829 -5.432 -3.423
157 H ALA 21 H ALA 21 -5.100 -1.693 -2.234
158 HA ALA 21 HA ALA 21 -5.285 0.764 -3.491
159 HB1 ALA 21 1HB ALA 21 -5.754 0.195 -0.567
160 HB2 ALA 21 2HB ALA 21 -6.920 -0.061 -1.866
161 HB3 ALA 21 3HB ALA 21 -6.379 1.572 -1.476
162 H TYR 22 H TYR 22 -3.944 2.423 -3.677
163 HA TYR 22 HA TYR 22 -1.574 2.530 -1.995
164 HB2 TYR 22 2HB TYR 22 -0.713 4.143 -3.593
165 HB3 TYR 22 1HB TYR 22 -1.334 2.733 -4.446
166 HD1 TYR 22 2HD TYR 22 -3.602 2.889 -5.554
167 HD2 TYR 22 1HD TYR 22 -1.561 6.297 -4.031
168 HE1 TYR 22 2HE TYR 22 -5.022 4.348 -6.933
169 HE2 TYR 22 1HE TYR 22 -2.978 7.766 -5.403
170 HH TYR 22 HH TYR 22 -5.793 6.680 -6.955
171 H GLY 23 H GLY 23 -0.816 4.641 -1.194
172 HA2 GLY 23 2HA GLY 23 -1.260 6.850 -0.418
173 HA3 GLY 23 1HA GLY 23 -2.980 6.528 -0.575
174 H GLY 24 H GLY 24 -2.716 3.909 0.784
175 HA2 GLY 24 2HA GLY 24 -1.616 3.793 3.230
176 HA3 GLY 24 1HA GLY 24 -2.926 4.935 3.491
177 H GLY 25 H GLY 25 -2.069 1.723 3.582
178 HA2 GLY 25 2HA GLY 25 -4.832 0.796 3.169
179 HA3 GLY 25 1HA GLY 25 -3.406 -0.230 3.178
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -13.064 -1.452 -2.154
2 H2 GLY 1 2HT GLY 1 -12.824 -0.526 -3.549
3 H3 GLY 1 3HT GLY 1 -11.880 -0.244 -2.176
4 HA2 GLY 1 1HA GLY 1 -11.855 -2.714 -3.823
5 HA3 GLY 1 2HA GLY 1 -10.625 -1.458 -3.847
6 H VAL 2 H VAL 2 -12.125 -3.958 -1.871
7 HA VAL 2 HA VAL 2 -9.979 -3.782 0.096
8 HB VAL 2 HB VAL 2 -12.336 -5.671 0.041
9 HG11 VAL 2 1HG1 VAL 2 -10.491 -6.467 1.412
10 HG12 VAL 2 2HG1 VAL 2 -11.844 -5.967 2.425
11 HG13 VAL 2 3HG1 VAL 2 -10.434 -4.920 2.260
12 HG21 VAL 2 3HG2 VAL 2 -13.102 -3.365 0.135
13 HG22 VAL 2 1HG2 VAL 2 -12.012 -3.041 1.481
14 HG23 VAL 2 2HG2 VAL 2 -13.355 -4.163 1.686
15 H VAL 3 H VAL 3 -8.249 -5.064 0.093
16 HA VAL 3 HA VAL 3 -8.352 -7.699 -1.127
17 HB VAL 3 HB VAL 3 -6.354 -7.327 -2.508
18 HG11 VAL 3 1HG1 VAL 3 -8.549 -7.151 -3.540
19 HG12 VAL 3 2HG1 VAL 3 -7.422 -6.015 -4.282
20 HG13 VAL 3 3HG1 VAL 3 -8.624 -5.439 -3.125
21 HG21 VAL 3 3HG2 VAL 3 -5.544 -5.072 -2.950
22 HG22 VAL 3 1HG2 VAL 3 -5.401 -5.464 -1.237
23 HG23 VAL 3 2HG2 VAL 3 -6.705 -4.416 -1.795
24 H ARG 4 H ARG 4 -5.876 -8.565 -1.025
25 HA ARG 4 HA ARG 4 -5.246 -8.473 1.799
26 HB2 ARG 4 2HB ARG 4 -3.989 -10.081 -0.431
27 HB3 ARG 4 1HB ARG 4 -3.684 -10.298 1.289
28 HG2 ARG 4 2HG ARG 4 -6.286 -10.758 -0.153
29 HG3 ARG 4 1HG ARG 4 -5.215 -11.983 0.531
30 HD2 ARG 4 2HD ARG 4 -6.647 -9.841 2.097
31 HD3 ARG 4 1HD ARG 4 -7.162 -11.522 1.967
32 HE ARG 4 HE ARG 4 -4.528 -11.491 2.893
33 HH11 ARG 4 1HH1 ARG 4 -7.707 -10.534 3.969
34 HH12 ARG 4 2HH1 ARG 4 -7.343 -10.758 5.646
35 HH21 ARG 4 1HH2 ARG 4 -4.049 -11.789 5.100
36 HH22 ARG 4 2HH2 ARG 4 -5.267 -11.470 6.289
37 H GLN 5 H GLN 5 -3.173 -8.019 2.654
38 HA GLN 5 HA GLN 5 -1.717 -6.012 1.093
39 HB2 GLN 5 2HB GLN 5 -0.781 -5.289 3.241
40 HB3 GLN 5 1HB GLN 5 -2.539 -5.296 3.280
41 HG2 GLN 5 2HG GLN 5 -2.504 -7.431 4.466
42 HG3 GLN 5 1HG GLN 5 -0.742 -7.419 4.430
43 HE21 GLN 5 1HE2 GLN 5 0.381 -5.970 5.732
44 HE22 GLN 5 2HE2 GLN 5 -0.368 -5.160 7.061
45 H TRP 6 H TRP 6 0.721 -5.920 1.872
46 HA TRP 6 HA TRP 6 2.019 -8.370 2.441
47 HB2 TRP 6 2HB TRP 6 2.960 -8.936 0.316
48 HB3 TRP 6 1HB TRP 6 1.227 -8.768 0.079
49 HD1 TRP 6 HD TRP 6 0.652 -5.964 -0.663
50 HE1 TRP 6 1HE TRP 6 1.739 -4.741 -2.649
51 HE3 TRP 6 3HE TRP 6 4.830 -8.855 -1.190
52 HZ2 TRP 6 2HZ TRP 6 4.076 -4.976 -4.228
53 HZ3 TRP 6 3HZ TRP 6 6.441 -8.290 -2.960
54 HH2 TRP 6 HH TRP 6 6.070 -6.391 -4.448
55 H SER 7 H SER 7 4.443 -7.798 0.968
56 HA SER 7 HA SER 7 5.369 -5.545 2.576
57 HB2 SER 7 2HB SER 7 6.923 -7.628 1.023
58 HB3 SER 7 1HB SER 7 7.634 -6.383 2.048
59 HG SER 7 HG SER 7 7.436 -8.318 3.196
60 H GLY 8 H GLY 8 3.793 -4.852 0.352
61 HA2 GLY 8 2HA GLY 8 5.680 -3.959 -1.699
62 HA3 GLY 8 1HA GLY 8 3.929 -3.875 -1.795
63 H TYR 9 H TYR 9 3.815 -2.705 0.949
64 HA TYR 9 HA TYR 9 3.557 -0.041 0.332
65 HB2 TYR 9 2HB TYR 9 2.634 -0.951 2.374
66 HB3 TYR 9 1HB TYR 9 4.244 -1.293 2.997
67 HD1 TYR 9 1HD TYR 9 1.999 1.494 1.987
68 HD2 TYR 9 2HD TYR 9 5.396 0.310 4.259
69 HE1 TYR 9 1HE TYR 9 2.051 3.710 3.055
70 HE2 TYR 9 2HE TYR 9 5.458 2.521 5.332
71 HH TYR 9 HH TYR 9 2.902 4.738 5.123
72 H ASP 10 H ASP 10 4.954 1.450 -0.281
73 HA ASP 10 HA ASP 10 7.784 1.129 0.410
74 HB2 ASP 10 2HB ASP 10 8.113 2.880 -1.391
75 HB3 ASP 10 1HB ASP 10 7.485 1.328 -1.941
76 HA PRO 11 HA PRO 11 6.651 4.429 3.375
77 HB2 PRO 11 2HB PRO 11 8.933 4.086 4.877
78 HB3 PRO 11 1HB PRO 11 7.436 3.170 5.124
79 HG2 PRO 11 2HG PRO 11 9.921 2.370 3.707
80 HG3 PRO 11 1HG PRO 11 8.858 1.415 4.760
81 HD2 PRO 11 2HD PRO 11 8.790 1.197 2.074
82 HD3 PRO 11 1HD PRO 11 7.344 0.994 3.083
83 H ARG 12 H ARG 12 9.336 3.946 1.276
84 HA ARG 12 HA ARG 12 10.866 6.227 1.863
85 HB2 ARG 12 2HB ARG 12 10.513 4.778 -0.766
86 HB3 ARG 12 1HB ARG 12 11.772 5.955 -0.425
87 HG2 ARG 12 2HG ARG 12 12.678 4.504 1.310
88 HG3 ARG 12 1HG ARG 12 11.402 3.324 0.993
89 HD2 ARG 12 2HD ARG 12 13.491 4.234 -0.983
90 HD3 ARG 12 1HD ARG 12 13.510 2.710 -0.099
91 HE ARG 12 HE ARG 12 11.089 2.952 -1.517
92 HH11 ARG 12 2HH1 ARG 12 14.493 2.398 -2.052
93 HH12 ARG 12 1HH1 ARG 12 14.245 1.487 -3.503
94 HH21 ARG 12 1HH2 ARG 12 10.760 1.753 -3.426
95 HH22 ARG 12 2HH2 ARG 12 12.125 1.121 -4.284
96 H THR 13 H THR 13 8.113 5.727 -0.299
97 HA THR 13 HA THR 13 7.952 8.648 -0.623
98 HB THR 13 HB THR 13 6.900 8.320 -2.801
99 HG1 THR 13 1HG THR 13 6.928 6.139 -3.673
100 HG21 THR 13 3HG2 THR 13 9.328 8.551 -2.743
101 HG22 THR 13 1HG2 THR 13 8.845 7.449 -4.033
102 HG23 THR 13 2HG2 THR 13 9.502 6.809 -2.526
103 H GLY 14 H GLY 14 6.686 6.483 1.204
104 HA2 GLY 14 2HA GLY 14 4.645 6.067 2.182
105 HA3 GLY 14 1HA GLY 14 4.367 7.775 1.887
106 H THR 15 H THR 15 4.437 4.780 -0.060
107 HA THR 15 HA THR 15 1.681 5.149 -0.822
108 HB THR 15 HB THR 15 2.151 5.154 -3.268
109 HG1 THR 15 1HG THR 15 4.804 5.831 -2.473
110 HG21 THR 15 3HG2 THR 15 3.307 7.531 -1.807
111 HG22 THR 15 1HG2 THR 15 1.586 7.232 -2.052
112 HG23 THR 15 2HG2 THR 15 2.637 7.524 -3.438
113 H TRP 16 H TRP 16 1.134 3.442 -2.608
114 HA TRP 16 HA TRP 16 2.506 0.944 -1.864
115 HB2 TRP 16 2HB TRP 16 -0.384 1.526 -2.468
116 HB3 TRP 16 1HB TRP 16 0.261 -0.110 -2.567
117 HD1 TRP 16 HD TRP 16 -0.395 2.688 -0.005
118 HE1 TRP 16 1HE TRP 16 -0.508 1.628 2.337
119 HE3 TRP 16 3HE TRP 16 0.963 -2.093 -1.208
120 HZ2 TRP 16 2HZ TRP 16 -0.077 -0.899 3.519
121 HZ3 TRP 16 3HZ TRP 16 1.090 -3.770 0.588
122 HH2 TRP 16 HH TRP 16 0.581 -3.182 2.903
123 H ARG 17 H ARG 17 3.709 0.138 -3.424
124 HA ARG 17 HA ARG 17 3.582 1.024 -6.114
125 HB2 ARG 17 2HB ARG 17 5.303 -0.695 -6.530
126 HB3 ARG 17 1HB ARG 17 5.682 0.316 -5.145
127 HG2 ARG 17 2HG ARG 17 4.776 -1.487 -3.676
128 HG3 ARG 17 1HG ARG 17 4.632 -2.501 -5.114
129 HD2 ARG 17 2HD ARG 17 7.170 -1.292 -4.021
130 HD3 ARG 17 1HD ARG 17 6.695 -2.985 -3.928
131 HE ARG 17 HE ARG 17 7.183 -3.236 -6.191
132 HH11 ARG 17 2HH1 ARG 17 7.650 0.075 -5.176
133 HH12 ARG 17 1HH1 ARG 17 8.547 0.508 -6.590
134 HH21 ARG 17 2HH2 ARG 17 8.362 -2.661 -8.047
135 HH22 ARG 17 1HH2 ARG 17 8.951 -1.041 -8.219
136 H SER 18 H SER 18 2.629 -2.008 -4.544
137 HA SER 18 HA SER 18 1.801 -3.306 -6.917
138 HB2 SER 18 2HB SER 18 0.663 -4.895 -5.414
139 HB3 SER 18 1HB SER 18 2.303 -4.553 -4.867
140 HG SER 18 HG SER 18 1.295 -2.961 -3.440
141 H SER 19 H SER 19 -0.525 -4.072 -7.193
142 HA SER 19 HA SER 19 -2.157 -1.842 -7.722
143 HB2 SER 19 2HB SER 19 -2.902 -4.773 -7.581
144 HB3 SER 19 1HB SER 19 -3.893 -3.504 -8.299
145 HG SER 19 HG SER 19 -2.588 -4.681 -9.824
146 H ILE 20 H ILE 20 -1.669 -3.640 -4.860
147 HA ILE 20 HA ILE 20 -4.101 -3.604 -3.573
148 HB ILE 20 HB ILE 20 -1.453 -2.961 -2.269
149 HG12 ILE 20 2HG1 ILE 20 -1.212 -4.997 -3.553
150 HG13 ILE 20 1HG1 ILE 20 -1.340 -5.420 -1.849
151 HG21 ILE 20 1HG2 ILE 20 -3.318 -2.540 -0.800
152 HG22 ILE 20 2HG2 ILE 20 -2.491 -4.009 -0.284
153 HG23 ILE 20 3HG2 ILE 20 -4.010 -4.119 -1.169
154 HD11 ILE 20 3HD1 ILE 20 -3.521 -5.617 -3.911
155 HD12 ILE 20 1HD1 ILE 20 -3.710 -5.974 -2.194
156 HD13 ILE 20 2HD1 ILE 20 -2.627 -6.952 -3.185
157 H ALA 21 H ALA 21 -5.034 -2.141 -2.017
158 HA ALA 21 HA ALA 21 -5.463 0.421 -2.887
159 HB1 ALA 21 1HB ALA 21 -6.372 0.915 -0.688
160 HB2 ALA 21 2HB ALA 21 -5.560 -0.501 -0.018
161 HB3 ALA 21 3HB ALA 21 -6.847 -0.702 -1.207
162 H TYR 22 H TYR 22 -4.321 2.237 -2.945
163 HA TYR 22 HA TYR 22 -1.813 2.355 -1.436
164 HB2 TYR 22 2HB TYR 22 -1.115 4.072 -3.015
165 HB3 TYR 22 1HB TYR 22 -1.668 2.643 -3.882
166 HD1 TYR 22 1HD TYR 22 -4.009 2.668 -4.870
167 HD2 TYR 22 2HD TYR 22 -2.093 6.173 -3.408
168 HE1 TYR 22 1HE TYR 22 -5.573 4.055 -6.166
169 HE2 TYR 22 2HE TYR 22 -3.653 7.571 -4.696
170 HH TYR 22 HH TYR 22 -5.095 7.373 -6.680
171 H GLY 23 H GLY 23 -1.150 4.454 -0.550
172 HA2 GLY 23 2HA GLY 23 -1.500 6.228 0.864
173 HA3 GLY 23 1HA GLY 23 -2.893 6.605 -0.136
174 H GLY 24 H GLY 24 -2.002 4.089 2.238
175 HA2 GLY 24 2HA GLY 24 -3.361 4.523 4.410
176 HA3 GLY 24 1HA GLY 24 -4.723 4.278 3.326
177 H GLY 25 H GLY 25 -5.348 2.238 2.809
178 HA2 GLY 25 2HA GLY 25 -4.935 -0.096 2.481
179 HA3 GLY 25 1HA GLY 25 -3.592 0.019 3.607
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -14.454 -2.661 -1.303
2 H2 GLY 1 2HT GLY 1 -13.802 -3.520 -0.001
3 H3 GLY 1 3HT GLY 1 -13.203 -3.772 -1.561
4 HA2 GLY 1 1HA GLY 1 -12.363 -1.510 -1.643
5 HA3 GLY 1 2HA GLY 1 -12.993 -1.239 -0.026
6 H VAL 2 H VAL 2 -12.284 -3.489 1.314
7 HA VAL 2 HA VAL 2 -9.419 -3.130 1.547
8 HB VAL 2 HB VAL 2 -11.240 -4.894 3.191
9 HG11 VAL 2 1HG1 VAL 2 -8.886 -5.509 3.344
10 HG12 VAL 2 2HG1 VAL 2 -9.447 -4.792 4.854
11 HG13 VAL 2 3HG1 VAL 2 -8.466 -3.842 3.738
12 HG21 VAL 2 3HG2 VAL 2 -11.217 -3.071 4.836
13 HG22 VAL 2 1HG2 VAL 2 -11.966 -2.578 3.318
14 HG23 VAL 2 2HG2 VAL 2 -10.322 -2.065 3.697
15 H VAL 3 H VAL 3 -7.878 -4.777 1.407
16 HA VAL 3 HA VAL 3 -8.686 -7.399 0.449
17 HB VAL 3 HB VAL 3 -7.208 -7.318 -1.521
18 HG11 VAL 3 1HG1 VAL 3 -8.653 -5.939 -2.941
19 HG12 VAL 3 2HG1 VAL 3 -9.341 -5.184 -1.502
20 HG13 VAL 3 3HG1 VAL 3 -9.589 -6.905 -1.801
21 HG21 VAL 3 3HG2 VAL 3 -5.684 -5.570 -0.787
22 HG22 VAL 3 1HG2 VAL 3 -6.982 -4.379 -0.879
23 HG23 VAL 3 2HG2 VAL 3 -6.393 -5.156 -2.347
24 H ARG 4 H ARG 4 -6.417 -8.569 -0.204
25 HA ARG 4 HA ARG 4 -5.042 -8.847 2.244
26 HB2 ARG 4 2HB ARG 4 -3.542 -10.354 1.009
27 HB3 ARG 4 1HB ARG 4 -5.233 -10.693 0.665
28 HG2 ARG 4 2HG ARG 4 -5.070 -9.543 -1.456
29 HG3 ARG 4 1HG ARG 4 -3.399 -9.093 -1.107
30 HD2 ARG 4 2HD ARG 4 -3.533 -11.025 -2.616
31 HD3 ARG 4 1HD ARG 4 -2.747 -11.432 -1.090
32 HE ARG 4 HE ARG 4 -5.477 -12.016 -0.873
33 HH11 ARG 4 1HH1 ARG 4 -2.649 -13.136 -2.584
34 HH12 ARG 4 2HH1 ARG 4 -3.219 -14.765 -2.715
35 HH21 ARG 4 1HH2 ARG 4 -6.230 -14.159 -1.044
36 HH22 ARG 4 2HH2 ARG 4 -5.253 -15.346 -1.842
37 H GLN 5 H GLN 5 -3.145 -8.047 2.979
38 HA GLN 5 HA GLN 5 -1.945 -5.882 1.409
39 HB2 GLN 5 2HB GLN 5 -1.011 -5.082 3.493
40 HB3 GLN 5 1HB GLN 5 -2.735 -5.361 3.696
41 HG2 GLN 5 2HG GLN 5 -2.255 -7.495 4.793
42 HG3 GLN 5 1HG GLN 5 -0.527 -7.195 4.604
43 HE21 GLN 5 1HE2 GLN 5 -3.432 -6.293 6.283
44 HE22 GLN 5 2HE2 GLN 5 -2.668 -5.379 7.536
45 H TRP 6 H TRP 6 0.479 -5.599 1.793
46 HA TRP 6 HA TRP 6 2.078 -7.854 2.397
47 HB2 TRP 6 2HB TRP 6 2.813 -8.536 0.221
48 HB3 TRP 6 1HB TRP 6 1.054 -8.560 0.204
49 HD1 TRP 6 HD TRP 6 0.049 -5.975 -0.742
50 HE1 TRP 6 1HE TRP 6 0.762 -4.839 -2.940
51 HE3 TRP 6 3HE TRP 6 4.521 -8.341 -1.458
52 HZ2 TRP 6 2HZ TRP 6 2.940 -4.932 -4.737
53 HZ3 TRP 6 3HZ TRP 6 5.859 -7.761 -3.439
54 HH2 TRP 6 HH TRP 6 5.084 -6.092 -5.045
55 H SER 7 H SER 7 4.212 -7.173 0.512
56 HA SER 7 HA SER 7 5.329 -4.980 1.963
57 HB2 SER 7 2HB SER 7 6.381 -6.482 -0.442
58 HB3 SER 7 1HB SER 7 7.307 -5.331 0.520
59 HG SER 7 HG SER 7 6.679 -7.942 1.039
60 H GLY 8 H GLY 8 3.126 -4.934 -0.468
61 HA2 GLY 8 2HA GLY 8 3.998 -3.200 -2.412
62 HA3 GLY 8 1HA GLY 8 2.353 -3.230 -1.797
63 H TYR 9 H TYR 9 3.337 -2.481 0.924
64 HA TYR 9 HA TYR 9 3.158 0.356 0.558
65 HB2 TYR 9 2HB TYR 9 2.065 -0.721 2.460
66 HB3 TYR 9 1HB TYR 9 3.622 -1.282 3.059
67 HD1 TYR 9 1HD TYR 9 1.538 1.716 2.488
68 HD2 TYR 9 2HD TYR 9 5.034 0.144 4.337
69 HE1 TYR 9 1HE TYR 9 1.778 3.791 3.787
70 HE2 TYR 9 2HE TYR 9 5.283 2.214 5.639
71 HH TYR 9 HH TYR 9 4.602 4.567 5.509
72 H ASP 10 H ASP 10 4.812 1.619 0.070
73 HA ASP 10 HA ASP 10 7.502 0.828 0.967
74 HB2 ASP 10 2HB ASP 10 6.658 2.462 -1.431
75 HB3 ASP 10 1HB ASP 10 8.330 2.228 -0.931
76 HA PRO 11 HA PRO 11 6.762 4.466 3.613
77 HB2 PRO 11 2HB PRO 11 9.121 4.083 5.018
78 HB3 PRO 11 1HB PRO 11 7.563 3.354 5.446
79 HG2 PRO 11 2HG PRO 11 9.866 2.164 3.999
80 HG3 PRO 11 1HG PRO 11 8.768 1.431 5.187
81 HD2 PRO 11 2HD PRO 11 8.535 0.948 2.555
82 HD3 PRO 11 1HD PRO 11 7.121 1.036 3.625
83 H ARG 12 H ARG 12 9.514 3.590 1.656
84 HA ARG 12 HA ARG 12 11.064 5.901 1.933
85 HB2 ARG 12 2HB ARG 12 11.979 5.296 -0.310
86 HB3 ARG 12 1HB ARG 12 11.982 3.970 0.842
87 HG2 ARG 12 2HG ARG 12 9.979 3.049 -0.199
88 HG3 ARG 12 1HG ARG 12 9.959 4.388 -1.347
89 HD2 ARG 12 2HD ARG 12 10.947 2.402 -2.352
90 HD3 ARG 12 1HD ARG 12 12.142 3.690 -2.199
91 HE ARG 12 HE ARG 12 12.257 2.013 0.063
92 HH11 ARG 12 2HH1 ARG 12 13.049 2.032 -3.337
93 HH12 ARG 12 1HH1 ARG 12 14.341 0.892 -3.170
94 HH21 ARG 12 1HH2 ARG 12 13.956 0.511 0.283
95 HH22 ARG 12 2HH2 ARG 12 14.856 0.029 -1.115
96 H THR 13 H THR 13 8.182 5.257 0.071
97 HA THR 13 HA THR 13 8.231 8.045 -0.864
98 HB THR 13 HB THR 13 6.878 7.338 -2.813
99 HG1 THR 13 1HG THR 13 6.355 5.259 -3.110
100 HG21 THR 13 3HG2 THR 13 8.701 6.190 -4.031
101 HG22 THR 13 1HG2 THR 13 9.530 5.928 -2.496
102 HG23 THR 13 2HG2 THR 13 9.275 7.569 -3.092
103 H GLY 14 H GLY 14 6.958 6.385 1.452
104 HA2 GLY 14 2HA GLY 14 4.976 6.357 2.625
105 HA3 GLY 14 1HA GLY 14 4.840 8.011 2.053
106 H THR 15 H THR 15 4.835 5.311 -0.158
107 HA THR 15 HA THR 15 1.935 5.291 -0.334
108 HB THR 15 HB THR 15 1.916 5.747 -2.758
109 HG1 THR 15 1HG THR 15 4.058 5.262 -3.292
110 HG21 THR 15 3HG2 THR 15 2.271 8.169 -2.624
111 HG22 THR 15 1HG2 THR 15 3.157 7.957 -1.113
112 HG23 THR 15 2HG2 THR 15 1.439 7.564 -1.191
113 H TRP 16 H TRP 16 1.110 3.432 -1.223
114 HA TRP 16 HA TRP 16 2.748 1.143 -1.208
115 HB2 TRP 16 2HB TRP 16 -0.039 1.553 -2.309
116 HB3 TRP 16 1HB TRP 16 0.733 -0.019 -2.115
117 HD1 TRP 16 HD TRP 16 -0.490 2.949 0.039
118 HE1 TRP 16 1HE TRP 16 -1.078 2.053 2.378
119 HE3 TRP 16 3HE TRP 16 1.046 -1.894 -0.537
120 HZ2 TRP 16 2HZ TRP 16 -0.910 -0.383 3.792
121 HZ3 TRP 16 3HZ TRP 16 0.799 -3.442 1.360
122 HH2 TRP 16 HH TRP 16 -0.159 -2.699 3.480
123 H ARG 17 H ARG 17 2.509 -0.457 -3.205
124 HA ARG 17 HA ARG 17 3.960 0.835 -5.333
125 HB2 ARG 17 2HB ARG 17 3.197 -2.043 -4.840
126 HB3 ARG 17 1HB ARG 17 4.087 -1.514 -6.264
127 HG2 ARG 17 2HG ARG 17 4.981 -1.184 -3.409
128 HG3 ARG 17 1HG ARG 17 5.559 -2.411 -4.537
129 HD2 ARG 17 2HD ARG 17 5.728 0.505 -5.191
130 HD3 ARG 17 1HD ARG 17 6.964 -0.276 -4.208
131 HE ARG 17 HE ARG 17 6.803 -1.880 -6.371
132 HH11 ARG 17 2HH1 ARG 17 7.224 1.562 -5.993
133 HH12 ARG 17 1HH1 ARG 17 8.149 1.735 -7.447
134 HH21 ARG 17 2HH2 ARG 17 8.018 -1.655 -8.285
135 HH22 ARG 17 1HH2 ARG 17 8.600 -0.091 -8.748
136 H SER 18 H SER 18 1.516 -1.655 -5.840
137 HA SER 18 HA SER 18 -0.362 0.039 -7.119
138 HB2 SER 18 2HB SER 18 -0.025 -0.721 -9.444
139 HB3 SER 18 1HB SER 18 1.366 0.180 -8.843
140 HG SER 18 HG SER 18 1.964 -1.749 -9.941
141 H SER 19 H SER 19 0.982 -3.219 -6.860
142 HA SER 19 HA SER 19 -1.067 -4.774 -7.780
143 HB2 SER 19 2HB SER 19 -0.323 -6.504 -6.187
144 HB3 SER 19 1HB SER 19 1.045 -5.704 -6.960
145 HG SER 19 HG SER 19 1.019 -4.311 -5.007
146 H ILE 20 H ILE 20 -0.846 -3.206 -4.630
147 HA ILE 20 HA ILE 20 -3.670 -3.910 -4.160
148 HB ILE 20 HB ILE 20 -1.582 -3.340 -2.051
149 HG12 ILE 20 2HG1 ILE 20 -1.124 -5.471 -3.146
150 HG13 ILE 20 1HG1 ILE 20 -1.755 -5.750 -1.526
151 HG21 ILE 20 1HG2 ILE 20 -3.323 -4.217 -0.508
152 HG22 ILE 20 2HG2 ILE 20 -4.452 -4.238 -1.862
153 HG23 ILE 20 3HG2 ILE 20 -3.775 -2.709 -1.303
154 HD11 ILE 20 3HD1 ILE 20 -3.956 -6.229 -2.474
155 HD12 ILE 20 1HD1 ILE 20 -2.714 -7.306 -3.112
156 HD13 ILE 20 2HD1 ILE 20 -3.308 -5.967 -4.093
157 H ALA 21 H ALA 21 -4.958 -2.314 -3.040
158 HA ALA 21 HA ALA 21 -4.868 0.218 -4.116
159 HB1 ALA 21 1HB ALA 21 -6.482 0.873 -2.418
160 HB2 ALA 21 2HB ALA 21 -6.073 -0.550 -1.460
161 HB3 ALA 21 3HB ALA 21 -6.846 -0.738 -3.034
162 H TYR 22 H TYR 22 -3.782 2.045 -3.724
163 HA TYR 22 HA TYR 22 -1.822 2.036 -1.562
164 HB2 TYR 22 2HB TYR 22 -0.803 3.931 -2.725
165 HB3 TYR 22 1HB TYR 22 -1.043 2.582 -3.829
166 HD1 TYR 22 1HD TYR 22 -2.870 2.676 -5.515
167 HD2 TYR 22 2HD TYR 22 -1.893 6.021 -3.073
168 HE1 TYR 22 1HE TYR 22 -4.091 4.153 -7.057
169 HE2 TYR 22 2HE TYR 22 -3.112 7.506 -4.608
170 HH TYR 22 HH TYR 22 -5.202 6.350 -7.013
171 H GLY 23 H GLY 23 -1.393 4.503 -0.828
172 HA2 GLY 23 2HA GLY 23 -2.168 6.318 0.358
173 HA3 GLY 23 1HA GLY 23 -3.721 6.102 -0.435
174 H GLY 24 H GLY 24 -1.959 3.821 1.631
175 HA2 GLY 24 2HA GLY 24 -2.431 3.370 3.914
176 HA3 GLY 24 1HA GLY 24 -3.964 4.209 3.734
177 H GLY 25 H GLY 25 -2.355 1.197 3.656
178 HA2 GLY 25 2HA GLY 25 -4.676 -0.146 2.460
179 HA3 GLY 25 1HA GLY 25 -3.101 -0.872 2.744
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -12.708 -3.052 0.352
2 H2 GLY 1 2HT GLY 1 -13.673 -1.814 0.983
3 H3 GLY 1 3HT GLY 1 -13.362 -3.196 1.905
4 HA2 GLY 1 1HA GLY 1 -11.351 -1.183 1.063
5 HA3 GLY 1 2HA GLY 1 -12.029 -1.333 2.677
6 H VAL 2 H VAL 2 -11.964 -3.946 3.230
7 HA VAL 2 HA VAL 2 -9.284 -4.427 3.882
8 HB VAL 2 HB VAL 2 -11.147 -5.400 5.145
9 HG11 VAL 2 1HG1 VAL 2 -11.530 -7.175 2.737
10 HG12 VAL 2 2HG1 VAL 2 -12.636 -5.917 3.288
11 HG13 VAL 2 3HG1 VAL 2 -12.358 -7.345 4.285
12 HG21 VAL 2 3HG2 VAL 2 -9.298 -7.473 3.968
13 HG22 VAL 2 1HG2 VAL 2 -10.206 -7.639 5.470
14 HG23 VAL 2 2HG2 VAL 2 -8.941 -6.417 5.335
15 H VAL 3 H VAL 3 -7.650 -5.386 2.841
16 HA VAL 3 HA VAL 3 -8.179 -7.189 0.614
17 HB VAL 3 HB VAL 3 -6.620 -6.015 -0.886
18 HG11 VAL 3 1HG1 VAL 3 -8.944 -4.331 0.041
19 HG12 VAL 3 2HG1 VAL 3 -9.011 -5.647 -1.131
20 HG13 VAL 3 3HG1 VAL 3 -8.118 -4.175 -1.510
21 HG21 VAL 3 3HG2 VAL 3 -5.963 -3.702 -0.404
22 HG22 VAL 3 1HG2 VAL 3 -5.305 -4.826 0.784
23 HG23 VAL 3 2HG2 VAL 3 -6.701 -3.829 1.192
24 H ARG 4 H ARG 4 -5.882 -7.841 -0.341
25 HA ARG 4 HA ARG 4 -4.440 -8.961 1.894
26 HB2 ARG 4 2HB ARG 4 -3.920 -9.216 -1.073
27 HB3 ARG 4 1HB ARG 4 -3.180 -10.188 0.191
28 HG2 ARG 4 2HG ARG 4 -5.328 -11.148 0.756
29 HG3 ARG 4 1HG ARG 4 -6.124 -10.117 -0.433
30 HD2 ARG 4 2HD ARG 4 -5.806 -12.353 -1.324
31 HD3 ARG 4 1HD ARG 4 -4.833 -11.186 -2.218
32 HE ARG 4 HE ARG 4 -3.249 -12.257 -0.185
33 HH11 ARG 4 1HH1 ARG 4 -4.818 -13.299 -3.122
34 HH12 ARG 4 2HH1 ARG 4 -3.657 -14.541 -3.449
35 HH21 ARG 4 1HH2 ARG 4 -1.721 -13.892 -0.612
36 HH22 ARG 4 2HH2 ARG 4 -1.900 -14.878 -2.025
37 H GLN 5 H GLN 5 -2.622 -8.191 2.762
38 HA GLN 5 HA GLN 5 -1.315 -5.924 1.444
39 HB2 GLN 5 2HB GLN 5 -2.036 -5.468 3.695
40 HB3 GLN 5 1HB GLN 5 -1.226 -6.907 4.297
41 HG2 GLN 5 2HG GLN 5 0.933 -5.941 3.800
42 HG3 GLN 5 1HG GLN 5 0.162 -4.528 3.086
43 HE21 GLN 5 1HE2 GLN 5 0.915 -6.208 6.030
44 HE22 GLN 5 2HE2 GLN 5 0.550 -4.908 7.107
45 H TRP 6 H TRP 6 1.022 -5.775 1.488
46 HA TRP 6 HA TRP 6 2.671 -8.001 2.069
47 HB2 TRP 6 2HB TRP 6 3.195 -8.809 -0.118
48 HB3 TRP 6 1HB TRP 6 1.442 -8.801 0.005
49 HD1 TRP 6 HD TRP 6 0.420 -6.218 -0.977
50 HE1 TRP 6 1HE TRP 6 0.982 -5.204 -3.274
51 HE3 TRP 6 3HE TRP 6 4.744 -8.763 -1.950
52 HZ2 TRP 6 2HZ TRP 6 2.991 -5.452 -5.240
53 HZ3 TRP 6 3HZ TRP 6 5.926 -8.317 -4.062
54 HH2 TRP 6 HH TRP 6 5.065 -6.696 -5.673
55 H SER 7 H SER 7 4.640 -7.448 -0.005
56 HA SER 7 HA SER 7 5.994 -5.302 1.205
57 HB2 SER 7 2HB SER 7 7.182 -7.107 0.061
58 HB3 SER 7 1HB SER 7 6.483 -6.611 -1.480
59 HG SER 7 HG SER 7 8.458 -5.363 0.071
60 H GLY 8 H GLY 8 3.470 -5.250 -1.050
61 HA2 GLY 8 2HA GLY 8 3.995 -3.235 -2.814
62 HA3 GLY 8 1HA GLY 8 2.422 -3.482 -2.074
63 H TYR 9 H TYR 9 3.545 -2.912 0.627
64 HA TYR 9 HA TYR 9 3.181 -0.055 0.522
65 HB2 TYR 9 2HB TYR 9 2.158 -1.339 2.332
66 HB3 TYR 9 1HB TYR 9 3.745 -1.890 2.861
67 HD1 TYR 9 1HD TYR 9 1.573 1.091 2.540
68 HD2 TYR 9 2HD TYR 9 5.086 -0.556 4.284
69 HE1 TYR 9 1HE TYR 9 1.757 3.054 4.012
70 HE2 TYR 9 2HE TYR 9 5.281 1.401 5.760
71 HH TYR 9 HH TYR 9 4.548 3.741 5.821
72 H ASP 10 H ASP 10 4.772 1.327 0.159
73 HA ASP 10 HA ASP 10 7.499 0.582 0.983
74 HB2 ASP 10 2HB ASP 10 6.556 2.266 -1.338
75 HB3 ASP 10 1HB ASP 10 8.235 2.203 -0.815
76 HA PRO 11 HA PRO 11 6.643 4.018 3.840
77 HB2 PRO 11 2HB PRO 11 9.028 3.671 5.202
78 HB3 PRO 11 1HB PRO 11 7.516 2.833 5.591
79 HG2 PRO 11 2HG PRO 11 9.868 1.864 4.063
80 HG3 PRO 11 1HG PRO 11 8.818 0.998 5.202
81 HD2 PRO 11 2HD PRO 11 8.600 0.682 2.540
82 HD3 PRO 11 1HD PRO 11 7.195 0.604 3.622
83 H ARG 12 H ARG 12 9.250 3.458 1.647
84 HA ARG 12 HA ARG 12 10.850 5.697 2.069
85 HB2 ARG 12 2HB ARG 12 10.186 4.422 -0.591
86 HB3 ARG 12 1HB ARG 12 11.589 5.420 -0.236
87 HG2 ARG 12 2HG ARG 12 11.005 2.748 1.022
88 HG3 ARG 12 1HG ARG 12 12.118 3.025 -0.319
89 HD2 ARG 12 2HD ARG 12 13.443 2.926 1.636
90 HD3 ARG 12 1HD ARG 12 13.348 4.627 1.189
91 HE ARG 12 HE ARG 12 11.310 3.959 3.042
92 HH11 ARG 12 2HH1 ARG 12 14.740 4.569 2.827
93 HH12 ARG 12 1HH1 ARG 12 14.872 5.115 4.464
94 HH21 ARG 12 1HH2 ARG 12 11.482 4.678 5.197
95 HH22 ARG 12 2HH2 ARG 12 13.024 5.178 5.810
96 H THR 13 H THR 13 7.759 5.365 0.474
97 HA THR 13 HA THR 13 7.672 8.284 0.172
98 HB THR 13 HB THR 13 6.432 8.075 -1.925
99 HG1 THR 13 1HG THR 13 5.749 6.183 -2.618
100 HG21 THR 13 3HG2 THR 13 9.045 6.560 -1.963
101 HG22 THR 13 1HG2 THR 13 8.858 8.312 -2.050
102 HG23 THR 13 2HG2 THR 13 8.265 7.297 -3.362
103 H GLY 14 H GLY 14 6.531 6.015 1.970
104 HA2 GLY 14 2HA GLY 14 4.577 5.575 3.097
105 HA3 GLY 14 1HA GLY 14 4.278 7.293 2.891
106 H THR 15 H THR 15 4.475 4.915 0.293
107 HA THR 15 HA THR 15 1.580 4.900 0.000
108 HB THR 15 HB THR 15 1.697 5.531 -2.392
109 HG1 THR 15 1HG THR 15 3.881 5.133 -2.819
110 HG21 THR 15 3HG2 THR 15 1.987 7.942 -2.040
111 HG22 THR 15 1HG2 THR 15 2.765 7.619 -0.491
112 HG23 THR 15 2HG2 THR 15 1.067 7.204 -0.728
113 H TRP 16 H TRP 16 0.805 3.095 -0.977
114 HA TRP 16 HA TRP 16 2.420 0.808 -1.109
115 HB2 TRP 16 2HB TRP 16 -0.287 1.300 -2.360
116 HB3 TRP 16 1HB TRP 16 0.452 -0.280 -2.124
117 HD1 TRP 16 HD TRP 16 -0.825 2.698 0.003
118 HE1 TRP 16 1HE TRP 16 -1.657 1.768 2.252
119 HE3 TRP 16 3HE TRP 16 0.472 -2.210 -0.614
120 HZ2 TRP 16 2HZ TRP 16 -1.756 -0.714 3.589
121 HZ3 TRP 16 3HZ TRP 16 -0.028 -3.798 1.199
122 HH2 TRP 16 HH TRP 16 -1.119 -3.061 3.256
123 H ARG 17 H ARG 17 2.036 -0.596 -3.335
124 HA ARG 17 HA ARG 17 3.535 0.934 -5.320
125 HB2 ARG 17 2HB ARG 17 3.168 -2.018 -4.866
126 HB3 ARG 17 1HB ARG 17 3.889 -1.389 -6.341
127 HG2 ARG 17 2HG ARG 17 4.919 -0.877 -3.561
128 HG3 ARG 17 1HG ARG 17 5.554 -2.089 -4.674
129 HD2 ARG 17 2HD ARG 17 5.370 0.802 -5.440
130 HD3 ARG 17 1HD ARG 17 6.750 0.180 -4.537
131 HE ARG 17 HE ARG 17 6.586 -1.509 -6.634
132 HH11 ARG 17 2HH1 ARG 17 6.679 1.971 -6.392
133 HH12 ARG 17 1HH1 ARG 17 7.465 2.182 -7.920
134 HH21 ARG 17 2HH2 ARG 17 7.619 -1.234 -8.645
135 HH22 ARG 17 1HH2 ARG 17 7.999 0.364 -9.199
136 H SER 18 H SER 18 1.440 -1.833 -5.938
137 HA SER 18 HA SER 18 -0.549 -0.256 -7.284
138 HB2 SER 18 2HB SER 18 1.195 -0.252 -8.997
139 HB3 SER 18 1HB SER 18 1.294 -2.011 -8.924
140 HG SER 18 HG SER 18 -0.144 -0.786 -10.574
141 H SER 19 H SER 19 0.857 -3.483 -6.844
142 HA SER 19 HA SER 19 -1.238 -5.093 -7.565
143 HB2 SER 19 2HB SER 19 0.607 -5.460 -5.194
144 HB3 SER 19 1HB SER 19 -0.388 -6.728 -5.907
145 HG SER 19 HG SER 19 0.799 -6.568 -7.793
146 H ILE 20 H ILE 20 -0.864 -3.260 -4.590
147 HA ILE 20 HA ILE 20 -3.624 -4.003 -3.857
148 HB ILE 20 HB ILE 20 -1.423 -3.199 -1.947
149 HG12 ILE 20 2HG1 ILE 20 -0.929 -5.389 -2.869
150 HG13 ILE 20 1HG1 ILE 20 -1.498 -5.573 -1.213
151 HG21 ILE 20 1HG2 ILE 20 -3.612 -2.589 -1.133
152 HG22 ILE 20 2HG2 ILE 20 -3.013 -3.976 -0.223
153 HG23 ILE 20 3HG2 ILE 20 -4.227 -4.205 -1.482
154 HD11 ILE 20 3HD1 ILE 20 -3.698 -6.213 -2.039
155 HD12 ILE 20 1HD1 ILE 20 -2.437 -7.271 -2.671
156 HD13 ILE 20 2HD1 ILE 20 -3.135 -6.019 -3.698
157 H ALA 21 H ALA 21 -4.885 -2.343 -2.812
158 HA ALA 21 HA ALA 21 -4.931 0.090 -4.091
159 HB1 ALA 21 1HB ALA 21 -6.432 0.861 -2.337
160 HB2 ALA 21 2HB ALA 21 -5.922 -0.470 -1.297
161 HB3 ALA 21 3HB ALA 21 -6.803 -0.803 -2.789
162 H TYR 22 H TYR 22 -3.829 1.941 -3.960
163 HA TYR 22 HA TYR 22 -1.875 2.220 -1.784
164 HB2 TYR 22 2HB TYR 22 -0.632 3.701 -3.271
165 HB3 TYR 22 1HB TYR 22 -0.937 2.156 -4.062
166 HD1 TYR 22 1HD TYR 22 -2.811 2.022 -5.760
167 HD2 TYR 22 2HD TYR 22 -1.358 5.720 -4.238
168 HE1 TYR 22 1HE TYR 22 -3.817 3.196 -7.672
169 HE2 TYR 22 2HE TYR 22 -2.362 6.904 -6.144
170 HH TYR 22 HH TYR 22 -3.084 6.420 -8.441
171 H GLY 23 H GLY 23 -1.380 4.479 -1.119
172 HA2 GLY 23 2HA GLY 23 -2.026 6.686 -0.646
173 HA3 GLY 23 1HA GLY 23 -3.572 6.378 -1.423
174 H GLY 24 H GLY 24 -1.816 4.889 1.306
175 HA2 GLY 24 2HA GLY 24 -2.662 5.487 3.578
176 HA3 GLY 24 1HA GLY 24 -4.272 5.264 2.910
177 H GLY 25 H GLY 25 -4.907 3.108 2.256
178 HA2 GLY 25 2HA GLY 25 -5.087 0.843 2.584
179 HA3 GLY 25 1HA GLY 25 -3.338 0.818 2.759
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -9.725 -3.307 -6.140
2 H2 GLY 1 2HT GLY 1 -9.747 -1.863 -5.260
3 H3 GLY 1 3HT GLY 1 -11.186 -2.490 -5.886
4 HA2 GLY 1 1HA GLY 1 -11.058 -2.904 -3.518
5 HA3 GLY 1 2HA GLY 1 -11.037 -4.405 -4.432
6 H VAL 2 H VAL 2 -10.134 -4.316 -1.831
7 HA VAL 2 HA VAL 2 -7.317 -4.992 -2.225
8 HB VAL 2 HB VAL 2 -7.290 -2.706 -1.351
9 HG11 VAL 2 1HG1 VAL 2 -8.169 -2.177 0.851
10 HG12 VAL 2 2HG1 VAL 2 -8.774 -3.825 1.025
11 HG13 VAL 2 3HG1 VAL 2 -9.459 -2.759 -0.202
12 HG21 VAL 2 3HG2 VAL 2 -5.511 -4.260 -0.704
13 HG22 VAL 2 1HG2 VAL 2 -6.443 -4.737 0.714
14 HG23 VAL 2 2HG2 VAL 2 -5.839 -3.087 0.570
15 H VAL 3 H VAL 3 -6.851 -6.904 -1.359
16 HA VAL 3 HA VAL 3 -8.066 -7.793 1.101
17 HB VAL 3 HB VAL 3 -8.902 -9.929 0.137
18 HG11 VAL 3 1HG1 VAL 3 -10.238 -7.475 -0.998
19 HG12 VAL 3 2HG1 VAL 3 -10.417 -8.055 0.658
20 HG13 VAL 3 3HG1 VAL 3 -10.996 -9.036 -0.687
21 HG21 VAL 3 3HG2 VAL 3 -9.334 -10.050 -2.273
22 HG22 VAL 3 1HG2 VAL 3 -7.610 -9.936 -1.924
23 HG23 VAL 3 2HG2 VAL 3 -8.491 -8.518 -2.497
24 H ARG 4 H ARG 4 -5.415 -7.222 0.235
25 HA ARG 4 HA ARG 4 -4.086 -9.529 1.200
26 HB2 ARG 4 2HB ARG 4 -2.683 -9.853 -0.912
27 HB3 ARG 4 1HB ARG 4 -4.310 -10.520 -0.916
28 HG2 ARG 4 2HG ARG 4 -5.113 -8.637 -2.209
29 HG3 ARG 4 1HG ARG 4 -3.513 -7.895 -2.154
30 HD2 ARG 4 2HD ARG 4 -4.214 -10.527 -3.448
31 HD3 ARG 4 1HD ARG 4 -3.888 -9.012 -4.288
32 HE ARG 4 HE ARG 4 -1.691 -9.637 -2.661
33 HH11 ARG 4 1HH1 ARG 4 -3.291 -10.784 -5.542
34 HH12 ARG 4 2HH1 ARG 4 -1.849 -11.452 -6.228
35 HH21 ARG 4 1HH2 ARG 4 0.208 -10.513 -3.562
36 HH22 ARG 4 2HH2 ARG 4 0.138 -11.298 -5.105
37 H GLN 5 H GLN 5 -2.764 -8.457 2.523
38 HA GLN 5 HA GLN 5 -1.384 -6.072 1.532
39 HB2 GLN 5 2HB GLN 5 -2.580 -5.795 3.631
40 HB3 GLN 5 1HB GLN 5 -1.700 -7.144 4.337
41 HG2 GLN 5 2HG GLN 5 0.361 -5.916 4.240
42 HG3 GLN 5 1HG GLN 5 -0.421 -4.599 3.371
43 HE21 GLN 5 1HE2 GLN 5 -1.877 -6.317 6.061
44 HE22 GLN 5 2HE2 GLN 5 -1.839 -4.995 7.169
45 H TRP 6 H TRP 6 0.838 -5.881 1.531
46 HA TRP 6 HA TRP 6 2.555 -7.898 2.602
47 HB2 TRP 6 2HB TRP 6 3.386 -8.872 0.588
48 HB3 TRP 6 1HB TRP 6 1.632 -8.967 0.499
49 HD1 TRP 6 HD TRP 6 0.512 -6.779 -0.974
50 HE1 TRP 6 1HE TRP 6 1.332 -5.879 -3.242
51 HE3 TRP 6 3HE TRP 6 5.281 -8.613 -0.894
52 HZ2 TRP 6 2HZ TRP 6 3.689 -5.943 -4.793
53 HZ3 TRP 6 3HZ TRP 6 6.754 -8.151 -2.810
54 HH2 TRP 6 HH TRP 6 5.973 -6.844 -4.719
55 H SER 7 H SER 7 4.683 -7.369 0.630
56 HA SER 7 HA SER 7 5.800 -5.075 1.817
57 HB2 SER 7 2HB SER 7 6.617 -6.512 -0.720
58 HB3 SER 7 1HB SER 7 7.604 -5.339 0.152
59 HG SER 7 HG SER 7 8.275 -7.208 0.983
60 H GLY 8 H GLY 8 3.426 -5.248 -0.547
61 HA2 GLY 8 2HA GLY 8 3.953 -3.412 -2.474
62 HA3 GLY 8 1HA GLY 8 2.379 -3.556 -1.709
63 H TYR 9 H TYR 9 3.482 -2.723 0.918
64 HA TYR 9 HA TYR 9 3.169 0.107 0.534
65 HB2 TYR 9 2HB TYR 9 2.163 -0.957 2.480
66 HB3 TYR 9 1HB TYR 9 3.740 -1.513 3.025
67 HD1 TYR 9 2HD TYR 9 1.786 1.581 2.338
68 HD2 TYR 9 1HD TYR 9 5.031 -0.182 4.451
69 HE1 TYR 9 2HE TYR 9 2.065 3.654 3.629
70 HE2 TYR 9 1HE TYR 9 5.319 1.887 5.747
71 HH TYR 9 HH TYR 9 4.799 4.279 5.537
72 H ASP 10 H ASP 10 4.747 1.483 0.103
73 HA ASP 10 HA ASP 10 7.503 0.727 0.812
74 HB2 ASP 10 2HB ASP 10 6.504 2.521 -1.407
75 HB3 ASP 10 1HB ASP 10 8.202 2.243 -1.029
76 HA PRO 11 HA PRO 11 6.756 4.194 3.693
77 HB2 PRO 11 2HB PRO 11 9.093 3.713 5.091
78 HB3 PRO 11 1HB PRO 11 7.535 2.951 5.454
79 HG2 PRO 11 2HG PRO 11 9.855 1.871 3.947
80 HG3 PRO 11 1HG PRO 11 8.760 1.057 5.082
81 HD2 PRO 11 2HD PRO 11 8.535 0.745 2.422
82 HD3 PRO 11 1HD PRO 11 7.121 0.747 3.495
83 H ARG 12 H ARG 12 9.485 3.404 1.679
84 HA ARG 12 HA ARG 12 11.071 5.673 2.091
85 HB2 ARG 12 2HB ARG 12 10.717 4.034 -0.426
86 HB3 ARG 12 1HB ARG 12 12.024 5.174 -0.134
87 HG2 ARG 12 2HG ARG 12 12.818 3.818 1.721
88 HG3 ARG 12 1HG ARG 12 11.484 2.687 1.476
89 HD2 ARG 12 2HD ARG 12 13.661 3.311 -0.517
90 HD3 ARG 12 1HD ARG 12 13.563 1.862 0.481
91 HE ARG 12 HE ARG 12 11.197 2.168 -1.032
92 HH11 ARG 12 2HH1 ARG 12 14.554 1.279 -1.369
93 HH12 ARG 12 1HH1 ARG 12 14.275 0.255 -2.738
94 HH21 ARG 12 1HH2 ARG 12 10.828 0.823 -2.832
95 HH22 ARG 12 2HH2 ARG 12 12.159 -0.004 -3.569
96 H THR 13 H THR 13 8.314 5.109 -0.036
97 HA THR 13 HA THR 13 8.355 7.966 -0.739
98 HB THR 13 HB THR 13 8.641 6.610 -2.722
99 HG1 THR 13 1HG THR 13 6.617 7.266 -3.812
100 HG21 THR 13 3HG2 THR 13 6.088 5.244 -1.867
101 HG22 THR 13 1HG2 THR 13 7.694 4.519 -1.954
102 HG23 THR 13 2HG2 THR 13 6.873 5.026 -3.431
103 H GLY 14 H GLY 14 7.035 6.249 1.480
104 HA2 GLY 14 2HA GLY 14 5.026 6.162 2.604
105 HA3 GLY 14 1HA GLY 14 4.912 7.843 2.109
106 H THR 15 H THR 15 4.829 5.011 -0.007
107 HA THR 15 HA THR 15 1.957 5.240 -0.343
108 HB THR 15 HB THR 15 2.104 5.500 -2.802
109 HG1 THR 15 1HG THR 15 4.129 4.975 -3.393
110 HG21 THR 15 3HG2 THR 15 2.602 7.902 -2.805
111 HG22 THR 15 1HG2 THR 15 3.369 7.744 -1.225
112 HG23 THR 15 2HG2 THR 15 1.639 7.447 -1.400
113 H TRP 16 H TRP 16 1.041 3.513 -1.586
114 HA TRP 16 HA TRP 16 2.538 1.055 -1.285
115 HB2 TRP 16 2HB TRP 16 -0.290 1.564 -2.230
116 HB3 TRP 16 1HB TRP 16 0.400 -0.027 -1.920
117 HD1 TRP 16 HD TRP 16 -0.428 3.231 0.003
118 HE1 TRP 16 1HE TRP 16 -0.981 2.606 2.436
119 HE3 TRP 16 3HE TRP 16 0.546 -1.786 -0.203
120 HZ2 TRP 16 2HZ TRP 16 -1.002 0.295 4.056
121 HZ3 TRP 16 3HZ TRP 16 0.235 -3.131 1.834
122 HH2 TRP 16 HH TRP 16 -0.523 -2.109 3.917
123 H ARG 17 H ARG 17 2.649 -0.552 -3.022
124 HA ARG 17 HA ARG 17 3.771 0.519 -5.370
125 HB2 ARG 17 2HB ARG 17 2.903 -2.270 -4.637
126 HB3 ARG 17 1HB ARG 17 3.653 -1.892 -6.182
127 HG2 ARG 17 2HG ARG 17 4.896 -1.400 -3.485
128 HG3 ARG 17 1HG ARG 17 5.249 -2.770 -4.539
129 HD2 ARG 17 2HD ARG 17 6.019 -1.211 -6.275
130 HD3 ARG 17 1HD ARG 17 5.701 0.141 -5.188
131 HE ARG 17 HE ARG 17 7.407 -1.611 -3.862
132 HH11 ARG 17 2HH1 ARG 17 7.459 0.433 -6.690
133 HH12 ARG 17 1HH1 ARG 17 9.166 0.712 -6.612
134 HH21 ARG 17 2HH2 ARG 17 9.652 -1.243 -3.756
135 HH22 ARG 17 1HH2 ARG 17 10.411 -0.240 -4.945
136 H SER 18 H SER 18 1.087 -1.794 -5.447
137 HA SER 18 HA SER 18 -0.715 -0.071 -6.793
138 HB2 SER 18 2HB SER 18 -0.648 -1.134 -9.023
139 HB3 SER 18 1HB SER 18 0.870 -0.321 -8.641
140 HG SER 18 HG SER 18 1.672 -2.409 -8.001
141 H SER 19 H SER 19 0.331 -3.421 -6.322
142 HA SER 19 HA SER 19 -2.022 -4.768 -6.813
143 HB2 SER 19 2HB SER 19 0.085 -5.914 -6.310
144 HB3 SER 19 1HB SER 19 0.008 -5.350 -4.641
145 HG SER 19 HG SER 19 -1.005 -7.554 -5.594
146 H ILE 20 H ILE 20 -1.163 -2.787 -4.081
147 HA ILE 20 HA ILE 20 -3.751 -3.407 -2.815
148 HB ILE 20 HB ILE 20 -1.328 -2.135 -1.532
149 HG12 ILE 20 2HG1 ILE 20 -2.370 -4.956 -1.202
150 HG13 ILE 20 1HG1 ILE 20 -0.979 -4.521 -2.192
151 HG21 ILE 20 1HG2 ILE 20 -2.511 -2.534 0.567
152 HG22 ILE 20 2HG2 ILE 20 -3.880 -3.196 -0.325
153 HG23 ILE 20 3HG2 ILE 20 -3.451 -1.495 -0.507
154 HD11 ILE 20 3HD1 ILE 20 0.206 -3.741 -0.243
155 HD12 ILE 20 1HD1 ILE 20 -0.351 -5.395 0.010
156 HD13 ILE 20 2HD1 ILE 20 -1.204 -4.052 0.770
157 H ALA 21 H ALA 21 -5.080 -1.697 -2.127
158 HA ALA 21 HA ALA 21 -5.170 0.559 -3.774
159 HB1 ALA 21 1HB ALA 21 -7.117 -0.322 -2.571
160 HB2 ALA 21 2HB ALA 21 -6.890 1.404 -2.290
161 HB3 ALA 21 3HB ALA 21 -6.422 0.240 -1.051
162 H TYR 22 H TYR 22 -3.304 1.726 -3.824
163 HA TYR 22 HA TYR 22 -1.778 2.481 -1.600
164 HB2 TYR 22 2HB TYR 22 -0.635 4.005 -3.083
165 HB3 TYR 22 1HB TYR 22 -0.979 2.518 -3.961
166 HD1 TYR 22 2HD TYR 22 -3.053 2.507 -5.491
167 HD2 TYR 22 1HD TYR 22 -1.316 6.067 -3.937
168 HE1 TYR 22 2HE TYR 22 -4.163 3.811 -7.253
169 HE2 TYR 22 1HE TYR 22 -2.423 7.381 -5.695
170 HH TYR 22 HH TYR 22 -4.895 6.123 -7.649
171 H GLY 23 H GLY 23 -1.392 4.731 -0.887
172 HA2 GLY 23 2HA GLY 23 -2.133 6.871 -0.287
173 HA3 GLY 23 1HA GLY 23 -3.670 6.534 -1.069
174 H GLY 24 H GLY 24 -2.061 4.560 1.380
175 HA2 GLY 24 2HA GLY 24 -2.866 5.184 3.765
176 HA3 GLY 24 1HA GLY 24 -4.450 4.880 3.064
177 H GLY 25 H GLY 25 -5.025 2.748 2.475
178 HA2 GLY 25 2HA GLY 25 -3.713 0.444 2.347
179 HA3 GLY 25 1HA GLY 25 -3.644 0.741 4.078
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -9.562 -3.691 -6.862
2 H2 GLY 1 2HT GLY 1 -10.844 -4.000 -7.921
3 H3 GLY 1 3HT GLY 1 -9.414 -4.893 -8.043
4 HA2 GLY 1 1HA GLY 1 -11.306 -4.947 -5.755
5 HA3 GLY 1 2HA GLY 1 -11.153 -6.195 -6.982
6 H VAL 2 H VAL 2 -9.356 -4.490 -4.449
7 HA VAL 2 HA VAL 2 -7.975 -7.007 -3.848
8 HB VAL 2 HB VAL 2 -6.417 -5.679 -5.200
9 HG11 VAL 2 1HG1 VAL 2 -6.716 -3.597 -3.038
10 HG12 VAL 2 2HG1 VAL 2 -7.269 -3.457 -4.707
11 HG13 VAL 2 3HG1 VAL 2 -5.542 -3.549 -4.354
12 HG21 VAL 2 3HG2 VAL 2 -5.640 -5.804 -2.288
13 HG22 VAL 2 1HG2 VAL 2 -4.527 -5.696 -3.651
14 HG23 VAL 2 2HG2 VAL 2 -5.533 -7.129 -3.446
15 H VAL 3 H VAL 3 -7.590 -7.370 -1.699
16 HA VAL 3 HA VAL 3 -8.013 -5.233 0.229
17 HB VAL 3 HB VAL 3 -9.645 -6.546 1.537
18 HG11 VAL 3 1HG1 VAL 3 -11.588 -6.122 0.105
19 HG12 VAL 3 2HG1 VAL 3 -10.520 -5.937 -1.284
20 HG13 VAL 3 3HG1 VAL 3 -10.436 -4.788 0.051
21 HG21 VAL 3 3HG2 VAL 3 -9.705 -8.341 -0.887
22 HG22 VAL 3 1HG2 VAL 3 -10.809 -8.431 0.485
23 HG23 VAL 3 2HG2 VAL 3 -9.092 -8.768 0.712
24 H ARG 4 H ARG 4 -5.694 -6.667 -0.480
25 HA ARG 4 HA ARG 4 -5.144 -8.001 2.073
26 HB2 ARG 4 2HB ARG 4 -4.549 -9.057 -0.678
27 HB3 ARG 4 1HB ARG 4 -3.621 -9.573 0.723
28 HG2 ARG 4 2HG ARG 4 -6.607 -9.833 0.449
29 HG3 ARG 4 1HG ARG 4 -5.441 -11.124 0.145
30 HD2 ARG 4 2HD ARG 4 -4.666 -10.955 2.465
31 HD3 ARG 4 1HD ARG 4 -5.847 -9.681 2.764
32 HE ARG 4 HE ARG 4 -7.268 -11.843 1.811
33 HH11 ARG 4 1HH1 ARG 4 -5.221 -11.147 4.548
34 HH12 ARG 4 2HH1 ARG 4 -6.025 -12.268 5.595
35 HH21 ARG 4 1HH2 ARG 4 -8.327 -13.322 3.184
36 HH22 ARG 4 2HH2 ARG 4 -7.789 -13.502 4.821
37 H GLN 5 H GLN 5 -3.208 -7.556 2.973
38 HA GLN 5 HA GLN 5 -1.566 -5.550 1.603
39 HB2 GLN 5 2HB GLN 5 -0.670 -5.026 3.812
40 HB3 GLN 5 1HB GLN 5 -2.427 -4.953 3.822
41 HG2 GLN 5 2HG GLN 5 -2.507 -7.174 4.845
42 HG3 GLN 5 1HG GLN 5 -0.744 -7.228 4.852
43 HE21 GLN 5 1HE2 GLN 5 -0.641 -7.411 7.081
44 HE22 GLN 5 2HE2 GLN 5 -0.994 -6.091 8.136
45 H TRP 6 H TRP 6 0.828 -5.662 2.140
46 HA TRP 6 HA TRP 6 2.023 -8.150 2.778
47 HB2 TRP 6 2HB TRP 6 2.829 -8.857 0.630
48 HB3 TRP 6 1HB TRP 6 1.087 -8.655 0.500
49 HD1 TRP 6 HD TRP 6 0.881 -5.583 -0.073
50 HE1 TRP 6 1HE TRP 6 1.738 -4.614 -2.299
51 HE3 TRP 6 3HE TRP 6 4.111 -9.319 -1.392
52 HZ2 TRP 6 2HZ TRP 6 3.545 -5.339 -4.342
53 HZ3 TRP 6 3HZ TRP 6 5.367 -9.104 -3.499
54 HH2 TRP 6 HH TRP 6 5.086 -7.155 -4.943
55 H SER 7 H SER 7 4.419 -7.948 1.410
56 HA SER 7 HA SER 7 5.533 -5.562 2.651
57 HB2 SER 7 2HB SER 7 6.891 -7.949 1.373
58 HB3 SER 7 1HB SER 7 7.720 -6.636 2.213
59 HG SER 7 HG SER 7 6.786 -7.270 4.114
60 H GLY 8 H GLY 8 4.038 -4.801 0.531
61 HA2 GLY 8 2HA GLY 8 5.986 -4.313 -1.633
62 HA3 GLY 8 1HA GLY 8 4.241 -4.297 -1.839
63 H TYR 9 H TYR 9 3.881 -2.785 0.687
64 HA TYR 9 HA TYR 9 3.764 -0.206 -0.360
65 HB2 TYR 9 2HB TYR 9 2.384 -0.840 1.517
66 HB3 TYR 9 1HB TYR 9 3.802 -1.134 2.517
67 HD1 TYR 9 2HD TYR 9 1.906 1.536 0.767
68 HD2 TYR 9 1HD TYR 9 4.760 0.604 3.780
69 HE1 TYR 9 2HE TYR 9 1.813 3.861 1.563
70 HE2 TYR 9 1HE TYR 9 4.675 2.926 4.587
71 HH TYR 9 HH TYR 9 2.274 5.123 3.616
72 H ASP 10 H ASP 10 5.099 1.518 -0.369
73 HA ASP 10 HA ASP 10 7.814 1.097 0.680
74 HB2 ASP 10 2HB ASP 10 7.677 1.391 -1.763
75 HB3 ASP 10 1HB ASP 10 6.892 2.951 -1.526
76 HA PRO 11 HA PRO 11 6.339 4.263 3.599
77 HB2 PRO 11 2HB PRO 11 8.932 3.735 4.887
78 HB3 PRO 11 1HB PRO 11 7.296 3.566 5.547
79 HG2 PRO 11 2HG PRO 11 8.856 1.457 4.975
80 HG3 PRO 11 1HG PRO 11 7.087 1.411 4.866
81 HD2 PRO 11 2HD PRO 11 9.108 1.600 2.693
82 HD3 PRO 11 1HD PRO 11 7.539 0.771 2.714
83 H ARG 12 H ARG 12 9.591 3.927 2.271
84 HA ARG 12 HA ARG 12 10.605 6.450 2.782
85 HB2 ARG 12 2HB ARG 12 11.060 4.740 0.330
86 HB3 ARG 12 1HB ARG 12 12.077 6.080 0.840
87 HG2 ARG 12 2HG ARG 12 12.693 4.902 2.854
88 HG3 ARG 12 1HG ARG 12 11.592 3.583 2.449
89 HD2 ARG 12 2HD ARG 12 13.972 4.435 0.803
90 HD3 ARG 12 1HD ARG 12 13.940 3.061 1.908
91 HE ARG 12 HE ARG 12 11.878 2.965 -0.082
92 HH11 ARG 12 2HH1 ARG 12 15.218 2.219 0.594
93 HH12 ARG 12 1HH1 ARG 12 15.314 0.971 -0.603
94 HH21 ARG 12 1HH2 ARG 12 12.000 1.324 -1.658
95 HH22 ARG 12 2HH2 ARG 12 13.486 0.462 -1.883
96 H THR 13 H THR 13 8.243 5.464 0.407
97 HA THR 13 HA THR 13 8.160 8.233 -0.589
98 HB THR 13 HB THR 13 7.193 7.370 -2.683
99 HG1 THR 13 1HG THR 13 7.391 5.029 -2.986
100 HG21 THR 13 3HG2 THR 13 9.609 7.720 -2.545
101 HG22 THR 13 1HG2 THR 13 9.231 6.342 -3.580
102 HG23 THR 13 2HG2 THR 13 9.820 6.077 -1.938
103 H GLY 14 H GLY 14 6.661 6.429 1.529
104 HA2 GLY 14 2HA GLY 14 4.509 6.193 2.332
105 HA3 GLY 14 1HA GLY 14 4.416 7.895 1.914
106 H THR 15 H THR 15 4.529 4.952 -0.099
107 HA THR 15 HA THR 15 1.787 5.316 -0.922
108 HB THR 15 HB THR 15 2.347 5.458 -3.351
109 HG1 THR 15 1HG THR 15 4.523 4.800 -3.268
110 HG21 THR 15 3HG2 THR 15 3.359 7.774 -1.695
111 HG22 THR 15 1HG2 THR 15 1.666 7.450 -2.070
112 HG23 THR 15 2HG2 THR 15 2.795 7.851 -3.365
113 H TRP 16 H TRP 16 0.957 3.550 -2.110
114 HA TRP 16 HA TRP 16 2.415 1.085 -1.644
115 HB2 TRP 16 2HB TRP 16 -0.405 1.774 -2.382
116 HB3 TRP 16 1HB TRP 16 0.188 0.140 -2.663
117 HD1 TRP 16 HD TRP 16 -0.891 2.495 0.111
118 HE1 TRP 16 1HE TRP 16 -0.998 1.189 2.328
119 HE3 TRP 16 3HE TRP 16 1.300 -1.867 -1.409
120 HZ2 TRP 16 2HZ TRP 16 -0.250 -1.354 3.302
121 HZ3 TRP 16 3HZ TRP 16 1.567 -3.685 0.227
122 HH2 TRP 16 HH TRP 16 0.810 -3.431 2.534
123 H ARG 17 H ARG 17 2.409 -0.614 -3.356
124 HA ARG 17 HA ARG 17 3.750 0.309 -5.642
125 HB2 ARG 17 2HB ARG 17 2.575 -2.367 -4.923
126 HB3 ARG 17 1HB ARG 17 3.419 -2.096 -6.442
127 HG2 ARG 17 2HG ARG 17 4.626 -1.610 -3.728
128 HG3 ARG 17 1HG ARG 17 4.813 -3.103 -4.651
129 HD2 ARG 17 2HD ARG 17 6.728 -1.926 -5.204
130 HD3 ARG 17 1HD ARG 17 5.642 -1.547 -6.541
131 HE ARG 17 HE ARG 17 5.387 0.396 -4.510
132 HH11 ARG 17 2HH1 ARG 17 7.591 -0.655 -7.004
133 HH12 ARG 17 1HH1 ARG 17 8.288 0.914 -7.220
134 HH21 ARG 17 2HH2 ARG 17 6.306 2.459 -4.794
135 HH22 ARG 17 1HH2 ARG 17 7.560 2.683 -5.967
136 H SER 18 H SER 18 0.961 -1.813 -6.033
137 HA SER 18 HA SER 18 -0.680 0.082 -7.347
138 HB2 SER 18 2HB SER 18 1.032 -0.081 -9.094
139 HB3 SER 18 1HB SER 18 0.840 -1.833 -9.134
140 HG SER 18 HG SER 18 -1.124 0.107 -9.798
141 H SER 19 H SER 19 0.224 -3.344 -7.181
142 HA SER 19 HA SER 19 -2.218 -4.467 -7.884
143 HB2 SER 19 2HB SER 19 -0.197 -5.810 -7.662
144 HB3 SER 19 1HB SER 19 -0.156 -5.503 -5.926
145 HG SER 19 HG SER 19 -2.350 -6.750 -7.211
146 H ILE 20 H ILE 20 -1.114 -3.220 -4.789
147 HA ILE 20 HA ILE 20 -3.722 -3.868 -3.601
148 HB ILE 20 HB ILE 20 -1.142 -3.026 -2.264
149 HG12 ILE 20 2HG1 ILE 20 -1.280 -5.335 -1.281
150 HG13 ILE 20 1HG1 ILE 20 -2.610 -5.668 -2.384
151 HG21 ILE 20 1HG2 ILE 20 -2.298 -3.476 -0.149
152 HG22 ILE 20 2HG2 ILE 20 -3.795 -3.767 -1.035
153 HG23 ILE 20 3HG2 ILE 20 -3.061 -2.163 -1.046
154 HD11 ILE 20 3HD1 ILE 20 -0.283 -6.466 -3.037
155 HD12 ILE 20 1HD1 ILE 20 0.068 -4.773 -3.381
156 HD13 ILE 20 2HD1 ILE 20 -1.221 -5.602 -4.256
157 H ALA 21 H ALA 21 -4.942 -2.269 -2.546
158 HA ALA 21 HA ALA 21 -5.104 0.209 -3.801
159 HB1 ALA 21 1HB ALA 21 -6.116 -0.513 -1.053
160 HB2 ALA 21 2HB ALA 21 -6.958 -0.821 -2.571
161 HB3 ALA 21 3HB ALA 21 -6.666 0.837 -2.046
162 H TYR 22 H TYR 22 -4.140 2.128 -3.520
163 HA TYR 22 HA TYR 22 -2.057 2.313 -1.483
164 HB2 TYR 22 2HB TYR 22 -1.223 4.219 -2.769
165 HB3 TYR 22 1HB TYR 22 -1.442 2.816 -3.812
166 HD1 TYR 22 2HD TYR 22 -3.348 2.742 -5.398
167 HD2 TYR 22 1HD TYR 22 -2.480 6.220 -3.108
168 HE1 TYR 22 2HE TYR 22 -4.749 4.081 -6.912
169 HE2 TYR 22 1HE TYR 22 -3.880 7.568 -4.613
170 HH TYR 22 HH TYR 22 -4.724 7.470 -6.926
171 H GLY 23 H GLY 23 -1.753 4.386 -0.351
172 HA2 GLY 23 2HA GLY 23 -2.615 6.420 0.535
173 HA3 GLY 23 1HA GLY 23 -4.222 5.928 0.024
174 H GLY 24 H GLY 24 -1.742 4.285 1.983
175 HA2 GLY 24 2HA GLY 24 -1.787 3.680 4.218
176 HA3 GLY 24 1HA GLY 24 -3.278 4.591 4.398
177 H GLY 25 H GLY 25 -2.787 2.052 2.020
178 HA2 GLY 25 2HA GLY 25 -5.131 0.673 2.931
179 HA3 GLY 25 1HA GLY 25 -4.070 0.173 1.623
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -13.150 -7.606 -4.939
2 H2 GLY 1 2HT GLY 1 -14.442 -6.541 -4.693
3 H3 GLY 1 3HT GLY 1 -13.545 -7.102 -3.373
4 HA2 GLY 1 1HA GLY 1 -12.530 -5.349 -5.543
5 HA3 GLY 1 2HA GLY 1 -12.938 -4.827 -3.916
6 H VAL 2 H VAL 2 -11.202 -4.486 -2.717
7 HA VAL 2 HA VAL 2 -9.012 -6.431 -2.810
8 HB VAL 2 HB VAL 2 -8.324 -4.573 -4.254
9 HG11 VAL 2 1HG1 VAL 2 -8.002 -2.334 -3.372
10 HG12 VAL 2 2HG1 VAL 2 -8.630 -2.841 -1.806
11 HG13 VAL 2 3HG1 VAL 2 -9.690 -2.817 -3.214
12 HG21 VAL 2 3HG2 VAL 2 -6.851 -4.651 -1.621
13 HG22 VAL 2 1HG2 VAL 2 -6.199 -4.049 -3.145
14 HG23 VAL 2 2HG2 VAL 2 -6.620 -5.752 -2.978
15 H VAL 3 H VAL 3 -8.415 -7.059 -0.841
16 HA VAL 3 HA VAL 3 -8.493 -5.242 1.409
17 HB VAL 3 HB VAL 3 -9.877 -6.718 2.819
18 HG11 VAL 3 1HG1 VAL 3 -11.302 -5.803 0.323
19 HG12 VAL 3 2HG1 VAL 3 -10.873 -4.776 1.691
20 HG13 VAL 3 3HG1 VAL 3 -12.033 -6.086 1.902
21 HG21 VAL 3 3HG2 VAL 3 -9.535 -8.812 1.624
22 HG22 VAL 3 1HG2 VAL 3 -10.432 -8.186 0.241
23 HG23 VAL 3 2HG2 VAL 3 -11.257 -8.458 1.776
24 H ARG 4 H ARG 4 -6.396 -6.569 0.067
25 HA ARG 4 HA ARG 4 -5.395 -8.254 2.256
26 HB2 ARG 4 2HB ARG 4 -5.051 -8.835 -0.692
27 HB3 ARG 4 1HB ARG 4 -4.293 -9.731 0.617
28 HG2 ARG 4 2HG ARG 4 -6.487 -10.425 1.424
29 HG3 ARG 4 1HG ARG 4 -7.256 -9.515 0.123
30 HD2 ARG 4 2HD ARG 4 -7.125 -11.875 -0.444
31 HD3 ARG 4 1HD ARG 4 -6.117 -10.919 -1.527
32 HE ARG 4 HE ARG 4 -4.499 -11.781 0.560
33 HH11 ARG 4 1HH1 ARG 4 -6.341 -13.186 -2.049
34 HH12 ARG 4 2HH1 ARG 4 -5.298 -14.561 -2.212
35 HH21 ARG 4 1HH2 ARG 4 -3.127 -13.587 0.349
36 HH22 ARG 4 2HH2 ARG 4 -3.474 -14.788 -0.849
37 H GLN 5 H GLN 5 -3.411 -7.729 2.944
38 HA GLN 5 HA GLN 5 -1.980 -5.629 1.486
39 HB2 GLN 5 2HB GLN 5 -0.770 -5.256 3.589
40 HB3 GLN 5 1HB GLN 5 -2.510 -5.149 3.820
41 HG2 GLN 5 2HG GLN 5 -2.530 -7.416 4.729
42 HG3 GLN 5 1HG GLN 5 -0.785 -7.521 4.499
43 HE21 GLN 5 1HE2 GLN 5 -2.365 -7.731 6.941
44 HE22 GLN 5 2HE2 GLN 5 -1.768 -6.508 8.005
45 H TRP 6 H TRP 6 0.513 -5.768 1.896
46 HA TRP 6 HA TRP 6 1.714 -8.327 2.062
47 HB2 TRP 6 2HB TRP 6 2.354 -8.692 -0.230
48 HB3 TRP 6 1HB TRP 6 0.609 -8.486 -0.184
49 HD1 TRP 6 HD TRP 6 0.345 -5.377 -0.275
50 HE1 TRP 6 1HE TRP 6 1.027 -4.066 -2.384
51 HE3 TRP 6 3HE TRP 6 3.494 -8.809 -2.380
52 HZ2 TRP 6 2HZ TRP 6 2.680 -4.442 -4.642
53 HZ3 TRP 6 3HZ TRP 6 4.586 -8.256 -4.514
54 HH2 TRP 6 HH TRP 6 4.186 -6.117 -5.621
55 H SER 7 H SER 7 4.002 -7.887 0.513
56 HA SER 7 HA SER 7 5.250 -5.767 2.062
57 HB2 SER 7 2HB SER 7 6.460 -7.837 0.213
58 HB3 SER 7 1HB SER 7 7.373 -6.712 1.219
59 HG SER 7 HG SER 7 7.139 -8.075 2.785
60 H GLY 8 H GLY 8 3.521 -4.709 0.199
61 HA2 GLY 8 2HA GLY 8 5.328 -3.684 -1.899
62 HA3 GLY 8 1HA GLY 8 3.584 -3.806 -2.075
63 H TYR 9 H TYR 9 5.181 -2.653 0.827
64 HA TYR 9 HA TYR 9 3.876 -0.058 0.435
65 HB2 TYR 9 2HB TYR 9 3.346 -1.173 2.527
66 HB3 TYR 9 1HB TYR 9 5.056 -1.340 2.908
67 HD1 TYR 9 2HD TYR 9 2.282 1.074 2.572
68 HD2 TYR 9 1HD TYR 9 6.283 0.457 3.879
69 HE1 TYR 9 2HE TYR 9 2.228 3.237 3.739
70 HE2 TYR 9 1HE TYR 9 6.240 2.618 5.050
71 HH TYR 9 HH TYR 9 3.372 4.360 5.592
72 H ASP 10 H ASP 10 5.021 1.659 -0.149
73 HA ASP 10 HA ASP 10 7.946 1.521 0.031
74 HB2 ASP 10 2HB ASP 10 6.971 1.916 -2.207
75 HB3 ASP 10 1HB ASP 10 6.211 3.385 -1.602
76 HA PRO 11 HA PRO 11 7.047 4.382 3.511
77 HB2 PRO 11 2HB PRO 11 9.571 4.064 4.590
78 HB3 PRO 11 1HB PRO 11 8.178 3.043 4.986
79 HG2 PRO 11 2HG PRO 11 10.430 2.515 3.126
80 HG3 PRO 11 1HG PRO 11 9.583 1.410 4.227
81 HD2 PRO 11 2HD PRO 11 9.106 1.431 1.576
82 HD3 PRO 11 1HD PRO 11 7.838 1.072 2.767
83 H ARG 12 H ARG 12 9.575 4.262 1.125
84 HA ARG 12 HA ARG 12 10.896 6.670 1.714
85 HB2 ARG 12 2HB ARG 12 10.504 5.310 -0.960
86 HB3 ARG 12 1HB ARG 12 11.666 6.589 -0.633
87 HG2 ARG 12 2HG ARG 12 12.820 5.149 0.958
88 HG3 ARG 12 1HG ARG 12 11.646 3.867 0.656
89 HD2 ARG 12 2HD ARG 12 13.497 5.079 -1.395
90 HD3 ARG 12 1HD ARG 12 13.725 3.522 -0.599
91 HE ARG 12 HE ARG 12 11.198 3.638 -1.875
92 HH11 ARG 12 2HH1 ARG 12 14.602 3.277 -2.548
93 HH12 ARG 12 1HH1 ARG 12 14.347 2.376 -4.005
94 HH21 ARG 12 1HH2 ARG 12 10.860 2.453 -3.790
95 HH22 ARG 12 2HH2 ARG 12 12.222 1.909 -4.710
96 H THR 13 H THR 13 7.984 5.969 -0.129
97 HA THR 13 HA THR 13 7.559 8.867 -0.425
98 HB THR 13 HB THR 13 6.235 8.409 -2.447
99 HG1 THR 13 1HG THR 13 5.638 6.248 -1.989
100 HG21 THR 13 3HG2 THR 13 9.016 7.235 -2.553
101 HG22 THR 13 1HG2 THR 13 8.613 8.948 -2.678
102 HG23 THR 13 2HG2 THR 13 8.092 7.824 -3.934
103 H GLY 14 H GLY 14 6.715 6.712 1.596
104 HA2 GLY 14 2HA GLY 14 4.842 6.129 2.804
105 HA3 GLY 14 1HA GLY 14 4.379 7.795 2.506
106 H THR 15 H THR 15 4.631 5.015 0.298
107 HA THR 15 HA THR 15 1.754 4.876 0.025
108 HB THR 15 HB THR 15 1.803 5.202 -2.444
109 HG1 THR 15 1HG THR 15 3.644 5.592 -3.419
110 HG21 THR 15 3HG2 THR 15 1.064 7.005 -0.948
111 HG22 THR 15 1HG2 THR 15 1.865 7.641 -2.386
112 HG23 THR 15 2HG2 THR 15 2.723 7.595 -0.846
113 H TRP 16 H TRP 16 1.055 3.074 -1.285
114 HA TRP 16 HA TRP 16 2.815 0.816 -1.017
115 HB2 TRP 16 2HB TRP 16 0.013 1.088 -2.118
116 HB3 TRP 16 1HB TRP 16 0.862 -0.448 -1.976
117 HD1 TRP 16 HD TRP 16 -0.798 2.264 0.158
118 HE1 TRP 16 1HE TRP 16 -1.219 1.314 2.512
119 HE3 TRP 16 3HE TRP 16 1.687 -2.181 -0.300
120 HZ2 TRP 16 2HZ TRP 16 -0.584 -1.008 3.981
121 HZ3 TRP 16 3HZ TRP 16 1.732 -3.710 1.627
122 HH2 TRP 16 HH TRP 16 0.620 -3.135 3.722
123 H ARG 17 H ARG 17 2.521 -0.820 -3.054
124 HA ARG 17 HA ARG 17 4.057 0.427 -5.133
125 HB2 ARG 17 2HB ARG 17 3.071 -2.389 -4.717
126 HB3 ARG 17 1HB ARG 17 3.962 -1.904 -6.153
127 HG2 ARG 17 2HG ARG 17 4.968 -1.682 -3.324
128 HG3 ARG 17 1HG ARG 17 5.393 -2.958 -4.467
129 HD2 ARG 17 2HD ARG 17 6.339 -1.263 -5.976
130 HD3 ARG 17 1HD ARG 17 5.948 -0.012 -4.797
131 HE ARG 17 HE ARG 17 7.488 -1.878 -3.466
132 HH11 ARG 17 2HH1 ARG 17 7.867 0.254 -6.202
133 HH12 ARG 17 1HH1 ARG 17 9.573 0.442 -5.979
134 HH21 ARG 17 2HH2 ARG 17 9.733 -1.631 -3.169
135 HH22 ARG 17 1HH2 ARG 17 10.633 -0.628 -4.257
136 H SER 18 H SER 18 1.408 -1.843 -5.745
137 HA SER 18 HA SER 18 -0.295 0.047 -7.001
138 HB2 SER 18 2HB SER 18 1.410 -1.677 -8.814
139 HB3 SER 18 1HB SER 18 -0.018 -0.787 -9.341
140 HG SER 18 HG SER 18 2.474 0.196 -8.475
141 H SER 19 H SER 19 0.760 -3.330 -6.889
142 HA SER 19 HA SER 19 -1.498 -4.618 -7.791
143 HB2 SER 19 2HB SER 19 0.315 -5.467 -5.520
144 HB3 SER 19 1HB SER 19 -0.804 -6.527 -6.378
145 HG SER 19 HG SER 19 0.411 -5.827 -8.324
146 H ILE 20 H ILE 20 -0.920 -3.197 -4.630
147 HA ILE 20 HA ILE 20 -3.691 -3.866 -3.878
148 HB ILE 20 HB ILE 20 -1.408 -3.191 -2.016
149 HG12 ILE 20 2HG1 ILE 20 -1.023 -5.347 -3.100
150 HG13 ILE 20 1HG1 ILE 20 -1.458 -5.583 -1.410
151 HG21 ILE 20 1HG2 ILE 20 -4.225 -4.134 -1.506
152 HG22 ILE 20 2HG2 ILE 20 -3.523 -2.577 -1.063
153 HG23 ILE 20 3HG2 ILE 20 -2.962 -4.054 -0.278
154 HD11 ILE 20 3HD1 ILE 20 -3.291 -5.918 -3.773
155 HD12 ILE 20 1HD1 ILE 20 -3.740 -6.142 -2.083
156 HD13 ILE 20 2HD1 ILE 20 -2.552 -7.212 -2.830
157 H ALA 21 H ALA 21 -4.877 -2.253 -2.670
158 HA ALA 21 HA ALA 21 -4.918 0.254 -3.831
159 HB1 ALA 21 1HB ALA 21 -6.790 -0.705 -2.571
160 HB2 ALA 21 2HB ALA 21 -6.401 0.928 -2.027
161 HB3 ALA 21 3HB ALA 21 -5.896 -0.465 -1.070
162 H TYR 22 H TYR 22 -3.650 1.973 -3.687
163 HA TYR 22 HA TYR 22 -1.573 2.067 -1.670
164 HB2 TYR 22 2HB TYR 22 -0.667 3.927 -2.951
165 HB3 TYR 22 1HB TYR 22 -1.053 2.588 -4.029
166 HD1 TYR 22 1HD TYR 22 -3.106 2.718 -5.455
167 HD2 TYR 22 2HD TYR 22 -1.706 6.043 -3.202
168 HE1 TYR 22 1HE TYR 22 -4.468 4.226 -6.843
169 HE2 TYR 22 2HE TYR 22 -3.065 7.559 -4.581
170 HH TYR 22 HH TYR 22 -4.090 7.596 -6.813
171 H GLY 23 H GLY 23 -1.100 4.109 -0.531
172 HA2 GLY 23 2HA GLY 23 -1.697 5.893 0.801
173 HA3 GLY 23 1HA GLY 23 -3.153 6.058 -0.168
174 H GLY 24 H GLY 24 -1.720 4.027 2.377
175 HA2 GLY 24 2HA GLY 24 -2.897 3.842 4.497
176 HA3 GLY 24 1HA GLY 24 -4.404 3.881 3.595
177 H GLY 25 H GLY 25 -3.942 2.041 1.610
178 HA2 GLY 25 2HA GLY 25 -3.403 -0.236 1.230
179 HA3 GLY 25 1HA GLY 25 -3.111 -0.428 2.952
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -12.475 -0.512 -2.246
2 H2 GLY 1 2HT GLY 1 -11.389 -1.297 -3.277
3 H3 GLY 1 3HT GLY 1 -10.950 -0.973 -1.675
4 HA2 GLY 1 1HA GLY 1 -12.657 -2.480 -0.867
5 HA3 GLY 1 2HA GLY 1 -13.119 -2.813 -2.530
6 H VAL 2 H VAL 2 -9.931 -2.537 -0.973
7 HA VAL 2 HA VAL 2 -9.203 -5.106 -2.175
8 HB VAL 2 HB VAL 2 -7.715 -3.171 -2.572
9 HG11 VAL 2 1HG1 VAL 2 -8.014 -1.974 -0.493
10 HG12 VAL 2 2HG1 VAL 2 -6.305 -2.346 -0.722
11 HG13 VAL 2 3HG1 VAL 2 -7.271 -3.295 0.409
12 HG21 VAL 2 3HG2 VAL 2 -6.875 -5.504 -2.573
13 HG22 VAL 2 1HG2 VAL 2 -6.402 -5.297 -0.889
14 HG23 VAL 2 2HG2 VAL 2 -5.645 -4.317 -2.142
15 H VAL 3 H VAL 3 -7.952 -6.657 -0.889
16 HA VAL 3 HA VAL 3 -8.113 -6.457 1.993
17 HB VAL 3 HB VAL 3 -9.383 -8.550 2.281
18 HG11 VAL 3 1HG1 VAL 3 -10.500 -6.358 2.429
19 HG12 VAL 3 2HG1 VAL 3 -11.583 -7.629 1.863
20 HG13 VAL 3 3HG1 VAL 3 -10.909 -6.470 0.718
21 HG21 VAL 3 3HG2 VAL 3 -10.676 -9.458 0.404
22 HG22 VAL 3 1HG2 VAL 3 -8.941 -9.566 0.114
23 HG23 VAL 3 2HG2 VAL 3 -9.892 -8.314 -0.684
24 H ARG 4 H ARG 4 -5.887 -6.635 0.338
25 HA ARG 4 HA ARG 4 -4.690 -9.068 1.349
26 HB2 ARG 4 2HB ARG 4 -4.630 -8.468 -1.612
27 HB3 ARG 4 1HB ARG 4 -3.810 -9.794 -0.800
28 HG2 ARG 4 2HG ARG 4 -5.957 -10.762 -0.181
29 HG3 ARG 4 1HG ARG 4 -6.793 -9.422 -0.967
30 HD2 ARG 4 2HD ARG 4 -6.754 -11.366 -2.422
31 HD3 ARG 4 1HD ARG 4 -5.789 -10.061 -3.109
32 HE ARG 4 HE ARG 4 -4.086 -11.694 -1.623
33 HH11 ARG 4 1HH1 ARG 4 -6.058 -11.885 -4.496
34 HH12 ARG 4 2HH1 ARG 4 -5.049 -13.067 -5.260
35 HH21 ARG 4 1HH2 ARG 4 -2.758 -13.247 -2.626
36 HH22 ARG 4 2HH2 ARG 4 -3.175 -13.840 -4.199
37 H GLN 5 H GLN 5 -3.124 -8.100 2.473
38 HA GLN 5 HA GLN 5 -1.572 -5.959 1.208
39 HB2 GLN 5 2HB GLN 5 -2.412 -5.343 3.355
40 HB3 GLN 5 1HB GLN 5 -1.839 -6.835 4.082
41 HG2 GLN 5 2HG GLN 5 0.457 -6.131 3.802
42 HG3 GLN 5 1HG GLN 5 -0.069 -4.671 2.965
43 HE21 GLN 5 1HE2 GLN 5 0.914 -3.323 4.459
44 HE22 GLN 5 2HE2 GLN 5 0.295 -3.100 6.056
45 H TRP 6 H TRP 6 0.781 -5.949 1.588
46 HA TRP 6 HA TRP 6 2.106 -8.423 2.181
47 HB2 TRP 6 2HB TRP 6 3.004 -8.894 0.006
48 HB3 TRP 6 1HB TRP 6 1.262 -8.738 -0.175
49 HD1 TRP 6 HD TRP 6 0.549 -6.019 -0.889
50 HE1 TRP 6 1HE TRP 6 1.595 -4.652 -2.801
51 HE3 TRP 6 3HE TRP 6 4.942 -8.576 -1.390
52 HZ2 TRP 6 2HZ TRP 6 3.984 -4.658 -4.318
53 HZ3 TRP 6 3HZ TRP 6 6.554 -7.833 -3.094
54 HH2 TRP 6 HH TRP 6 6.082 -5.914 -4.527
55 H SER 7 H SER 7 4.474 -7.704 0.572
56 HA SER 7 HA SER 7 5.443 -5.561 2.302
57 HB2 SER 7 2HB SER 7 7.690 -6.290 1.584
58 HB3 SER 7 1HB SER 7 6.753 -7.628 2.247
59 HG SER 7 HG SER 7 7.861 -7.409 -0.171
60 H GLY 8 H GLY 8 3.711 -4.790 0.196
61 HA2 GLY 8 2HA GLY 8 5.448 -3.675 -1.872
62 HA3 GLY 8 1HA GLY 8 3.692 -3.644 -1.864
63 H TYR 9 H TYR 9 3.618 -2.651 0.922
64 HA TYR 9 HA TYR 9 3.372 0.064 0.442
65 HB2 TYR 9 2HB TYR 9 2.348 -1.023 2.373
66 HB3 TYR 9 1HB TYR 9 3.936 -1.329 3.069
67 HD1 TYR 9 1HD TYR 9 1.677 1.435 2.007
68 HD2 TYR 9 2HD TYR 9 4.903 0.235 4.508
69 HE1 TYR 9 1HE TYR 9 1.576 3.601 3.170
70 HE2 TYR 9 2HE TYR 9 4.810 2.397 5.677
71 HH TYR 9 HH TYR 9 4.020 4.689 5.250
72 H ASP 10 H ASP 10 4.878 1.461 -0.153
73 HA ASP 10 HA ASP 10 7.636 1.084 0.754
74 HB2 ASP 10 2HB ASP 10 7.234 1.348 -1.670
75 HB3 ASP 10 1HB ASP 10 6.538 2.938 -1.371
76 HA PRO 11 HA PRO 11 6.662 4.323 3.764
77 HB2 PRO 11 2HB PRO 11 9.452 3.906 4.597
78 HB3 PRO 11 1HB PRO 11 7.959 3.690 5.527
79 HG2 PRO 11 2HG PRO 11 9.477 1.626 4.731
80 HG3 PRO 11 1HG PRO 11 7.714 1.518 4.908
81 HD2 PRO 11 2HD PRO 11 9.352 1.770 2.433
82 HD3 PRO 11 1HD PRO 11 7.859 0.851 2.715
83 H ARG 12 H ARG 12 9.676 4.074 1.926
84 HA ARG 12 HA ARG 12 10.680 6.623 2.225
85 HB2 ARG 12 2HB ARG 12 10.706 5.068 -0.365
86 HB3 ARG 12 1HB ARG 12 11.856 6.296 0.143
87 HG2 ARG 12 2HG ARG 12 12.575 4.822 1.982
88 HG3 ARG 12 1HG ARG 12 11.471 3.582 1.385
89 HD2 ARG 12 2HD ARG 12 12.689 3.757 -0.828
90 HD3 ARG 12 1HD ARG 12 13.899 4.715 0.024
91 HE ARG 12 HE ARG 12 13.324 2.175 1.248
92 HH11 ARG 12 2HH1 ARG 12 15.281 3.856 -1.102
93 HH12 ARG 12 1HH1 ARG 12 16.557 2.687 -1.062
94 HH21 ARG 12 1HH2 ARG 12 15.003 0.636 1.304
95 HH22 ARG 12 2HH2 ARG 12 16.399 0.858 0.303
96 H THR 13 H THR 13 8.318 5.494 -0.180
97 HA THR 13 HA THR 13 7.830 8.277 -0.951
98 HB THR 13 HB THR 13 6.810 7.469 -2.954
99 HG1 THR 13 1HG THR 13 5.659 5.695 -2.231
100 HG21 THR 13 3HG2 THR 13 9.251 7.443 -2.974
101 HG22 THR 13 1HG2 THR 13 8.613 6.116 -3.944
102 HG23 THR 13 2HG2 THR 13 9.253 5.799 -2.332
103 H GLY 14 H GLY 14 6.734 6.446 1.371
104 HA2 GLY 14 2HA GLY 14 4.731 6.110 2.468
105 HA3 GLY 14 1HA GLY 14 4.478 7.792 2.034
106 H THR 15 H THR 15 4.674 5.238 -0.361
107 HA THR 15 HA THR 15 1.771 5.159 -0.616
108 HB THR 15 HB THR 15 1.884 5.586 -3.060
109 HG1 THR 15 1HG THR 15 3.756 5.938 -4.000
110 HG21 THR 15 3HG2 THR 15 1.217 7.379 -1.545
111 HG22 THR 15 1HG2 THR 15 2.144 8.026 -2.898
112 HG23 THR 15 2HG2 THR 15 2.905 7.834 -1.319
113 H TRP 16 H TRP 16 0.987 3.405 -1.855
114 HA TRP 16 HA TRP 16 2.654 1.075 -1.720
115 HB2 TRP 16 2HB TRP 16 -0.156 1.488 -2.755
116 HB3 TRP 16 1HB TRP 16 0.627 -0.083 -2.626
117 HD1 TRP 16 HD TRP 16 -0.035 2.874 -0.182
118 HE1 TRP 16 1HE TRP 16 -0.792 1.878 2.067
119 HE3 TRP 16 3HE TRP 16 0.238 -2.093 -1.361
120 HZ2 TRP 16 2HZ TRP 16 -1.216 -0.673 3.192
121 HZ3 TRP 16 3HZ TRP 16 -0.360 -3.746 0.361
122 HH2 TRP 16 HH TRP 16 -1.071 -3.049 2.589
123 H ARG 17 H ARG 17 2.953 -0.411 -3.548
124 HA ARG 17 HA ARG 17 3.327 1.061 -6.072
125 HB2 ARG 17 2HB ARG 17 5.213 -0.468 -6.529
126 HB3 ARG 17 1HB ARG 17 5.462 0.497 -5.080
127 HG2 ARG 17 2HG ARG 17 4.814 -1.407 -3.697
128 HG3 ARG 17 1HG ARG 17 4.560 -2.376 -5.152
129 HD2 ARG 17 2HD ARG 17 6.926 -2.070 -5.747
130 HD3 ARG 17 1HD ARG 17 7.167 -1.142 -4.265
131 HE ARG 17 HE ARG 17 6.083 -3.734 -3.753
132 HH11 ARG 17 2HH1 ARG 17 9.042 -2.014 -4.439
133 HH12 ARG 17 1HH1 ARG 17 10.052 -3.190 -3.666
134 HH21 ARG 17 2HH2 ARG 17 7.409 -5.281 -2.734
135 HH22 ARG 17 1HH2 ARG 17 9.125 -5.045 -2.699
136 H SER 18 H SER 18 2.225 -1.886 -4.576
137 HA SER 18 HA SER 18 1.715 -3.244 -7.058
138 HB2 SER 18 2HB SER 18 0.578 -4.923 -5.615
139 HB3 SER 18 1HB SER 18 2.217 -4.560 -5.081
140 HG SER 18 HG SER 18 0.009 -3.174 -4.010
141 H SER 19 H SER 19 -0.693 -4.317 -6.984
142 HA SER 19 HA SER 19 -2.403 -2.225 -7.821
143 HB2 SER 19 2HB SER 19 -2.536 -4.464 -8.796
144 HB3 SER 19 1HB SER 19 -3.034 -5.129 -7.240
145 HG SER 19 HG SER 19 -4.753 -4.621 -8.805
146 H ILE 20 H ILE 20 -1.784 -3.574 -4.734
147 HA ILE 20 HA ILE 20 -4.252 -3.340 -3.470
148 HB ILE 20 HB ILE 20 -1.567 -2.748 -2.220
149 HG12 ILE 20 2HG1 ILE 20 -1.389 -4.910 -3.210
150 HG13 ILE 20 1HG1 ILE 20 -1.722 -5.176 -1.499
151 HG21 ILE 20 1HG2 ILE 20 -3.437 -2.046 -0.840
152 HG22 ILE 20 2HG2 ILE 20 -2.657 -3.464 -0.138
153 HG23 ILE 20 3HG2 ILE 20 -4.182 -3.636 -1.008
154 HD11 ILE 20 3HD1 ILE 20 -2.992 -6.699 -2.899
155 HD12 ILE 20 1HD1 ILE 20 -3.733 -5.335 -3.733
156 HD13 ILE 20 2HD1 ILE 20 -4.064 -5.606 -2.023
157 H ALA 21 H ALA 21 -5.198 -1.685 -2.220
158 HA ALA 21 HA ALA 21 -5.330 0.824 -3.321
159 HB1 ALA 21 1HB ALA 21 -6.962 -0.072 -1.721
160 HB2 ALA 21 2HB ALA 21 -6.429 1.553 -1.287
161 HB3 ALA 21 3HB ALA 21 -5.794 0.155 -0.419
162 H TYR 22 H TYR 22 -3.928 2.427 -3.490
163 HA TYR 22 HA TYR 22 -1.533 2.459 -1.875
164 HB2 TYR 22 2HB TYR 22 -0.792 4.258 -3.335
165 HB3 TYR 22 1HB TYR 22 -1.440 2.935 -4.300
166 HD1 TYR 22 2HD TYR 22 -3.737 3.164 -5.299
167 HD2 TYR 22 1HD TYR 22 -1.734 6.425 -3.440
168 HE1 TYR 22 2HE TYR 22 -5.257 4.734 -6.425
169 HE2 TYR 22 1HE TYR 22 -3.250 8.003 -4.561
170 HH TYR 22 HH TYR 22 -6.098 7.023 -6.122
171 H GLY 23 H GLY 23 -0.755 4.559 -0.966
172 HA2 GLY 23 2HA GLY 23 -0.991 6.242 0.576
173 HA3 GLY 23 1HA GLY 23 -2.463 6.668 -0.286
174 H GLY 24 H GLY 24 -2.066 3.527 1.175
175 HA2 GLY 24 2HA GLY 24 -2.780 3.543 3.690
176 HA3 GLY 24 1HA GLY 24 -4.269 4.172 3.000
177 H GLY 25 H GLY 25 -3.835 1.702 4.496
178 HA2 GLY 25 2HA GLY 25 -4.275 -0.350 2.443
179 HA3 GLY 25 1HA GLY 25 -3.924 -0.649 4.140
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -16.179 -6.704 -4.855
2 H2 GLY 1 2HT GLY 1 -16.147 -5.835 -3.404
3 H3 GLY 1 3HT GLY 1 -15.846 -7.500 -3.400
4 HA2 GLY 1 1HA GLY 1 -13.823 -7.171 -4.679
5 HA3 GLY 1 2HA GLY 1 -14.137 -5.442 -4.690
6 H VAL 2 H VAL 2 -12.504 -7.900 -3.149
7 HA VAL 2 HA VAL 2 -11.857 -6.123 -0.913
8 HB VAL 2 HB VAL 2 -13.514 -7.710 -0.042
9 HG11 VAL 2 1HG1 VAL 2 -13.033 -10.094 0.075
10 HG12 VAL 2 2HG1 VAL 2 -11.536 -9.850 -0.822
11 HG13 VAL 2 3HG1 VAL 2 -13.089 -9.550 -1.602
12 HG21 VAL 2 3HG2 VAL 2 -12.199 -8.566 1.849
13 HG22 VAL 2 1HG2 VAL 2 -11.781 -6.898 1.457
14 HG23 VAL 2 2HG2 VAL 2 -10.714 -8.213 0.963
15 H VAL 3 H VAL 3 -9.732 -5.951 -0.598
16 HA VAL 3 HA VAL 3 -7.982 -7.985 -1.817
17 HB VAL 3 HB VAL 3 -6.298 -6.259 -2.130
18 HG11 VAL 3 1HG1 VAL 3 -7.909 -6.598 -3.919
19 HG12 VAL 3 2HG1 VAL 3 -7.430 -4.903 -3.828
20 HG13 VAL 3 3HG1 VAL 3 -8.993 -5.413 -3.188
21 HG21 VAL 3 3HG2 VAL 3 -6.819 -4.875 -0.188
22 HG22 VAL 3 1HG2 VAL 3 -8.324 -4.357 -0.950
23 HG23 VAL 3 2HG2 VAL 3 -6.773 -3.906 -1.660
24 H ARG 4 H ARG 4 -5.600 -7.487 -0.743
25 HA ARG 4 HA ARG 4 -5.918 -7.376 2.163
26 HB2 ARG 4 2HB ARG 4 -4.576 -9.382 2.486
27 HB3 ARG 4 1HB ARG 4 -6.017 -9.752 1.550
28 HG2 ARG 4 2HG ARG 4 -3.447 -9.150 0.157
29 HG3 ARG 4 1HG ARG 4 -3.732 -10.747 0.848
30 HD2 ARG 4 2HD ARG 4 -5.799 -10.928 -0.471
31 HD3 ARG 4 1HD ARG 4 -5.474 -9.350 -1.182
32 HE ARG 4 HE ARG 4 -3.237 -10.922 -1.646
33 HH11 ARG 4 1HH1 ARG 4 -6.617 -10.914 -2.517
34 HH12 ARG 4 2HH1 ARG 4 -6.358 -11.717 -4.028
35 HH21 ARG 4 1HH2 ARG 4 -2.895 -11.978 -3.635
36 HH22 ARG 4 2HH2 ARG 4 -4.246 -12.321 -4.664
37 H GLN 5 H GLN 5 -3.665 -7.450 3.229
38 HA GLN 5 HA GLN 5 -2.026 -5.481 1.838
39 HB2 GLN 5 2HB GLN 5 -0.926 -5.158 3.998
40 HB3 GLN 5 1HB GLN 5 -2.672 -5.023 4.155
41 HG2 GLN 5 2HG GLN 5 -2.771 -7.302 5.028
42 HG3 GLN 5 1HG GLN 5 -1.020 -7.435 4.873
43 HE21 GLN 5 1HE2 GLN 5 0.305 -6.303 6.291
44 HE22 GLN 5 2HE2 GLN 5 -0.289 -5.629 7.766
45 H TRP 6 H TRP 6 0.410 -5.692 2.252
46 HA TRP 6 HA TRP 6 1.559 -8.267 2.532
47 HB2 TRP 6 2HB TRP 6 2.231 -8.728 0.267
48 HB3 TRP 6 1HB TRP 6 0.488 -8.495 0.276
49 HD1 TRP 6 HD TRP 6 0.319 -5.364 0.089
50 HE1 TRP 6 1HE TRP 6 1.038 -4.155 -2.067
51 HE3 TRP 6 3HE TRP 6 3.343 -8.976 -1.895
52 HZ2 TRP 6 2HZ TRP 6 2.670 -4.668 -4.312
53 HZ3 TRP 6 3HZ TRP 6 4.445 -8.538 -4.051
54 HH2 TRP 6 HH TRP 6 4.115 -6.429 -5.235
55 H SER 7 H SER 7 3.884 -7.949 1.042
56 HA SER 7 HA SER 7 5.134 -5.769 2.502
57 HB2 SER 7 2HB SER 7 6.346 -7.973 0.815
58 HB3 SER 7 1HB SER 7 7.258 -6.805 1.769
59 HG SER 7 HG SER 7 5.292 -8.487 2.911
60 H GLY 8 H GLY 8 3.495 -4.749 0.567
61 HA2 GLY 8 2HA GLY 8 5.370 -3.906 -1.554
62 HA3 GLY 8 1HA GLY 8 3.627 -3.989 -1.762
63 H TYR 9 H TYR 9 5.108 -2.731 1.142
64 HA TYR 9 HA TYR 9 3.902 -0.130 0.571
65 HB2 TYR 9 2HB TYR 9 3.365 -1.174 2.725
66 HB3 TYR 9 1HB TYR 9 5.076 -1.231 3.133
67 HD1 TYR 9 1HD TYR 9 2.197 1.015 2.597
68 HD2 TYR 9 2HD TYR 9 6.208 0.693 3.975
69 HE1 TYR 9 1HE TYR 9 2.024 3.252 3.601
70 HE2 TYR 9 2HE TYR 9 6.047 2.931 4.984
71 HH TYR 9 HH TYR 9 4.721 4.985 4.704
72 H ASP 10 H ASP 10 5.071 1.574 -0.016
73 HA ASP 10 HA ASP 10 7.997 1.386 0.204
74 HB2 ASP 10 2HB ASP 10 6.273 3.006 -1.676
75 HB3 ASP 10 1HB ASP 10 8.030 3.096 -1.611
76 HA PRO 11 HA PRO 11 7.280 4.550 3.384
77 HB2 PRO 11 2HB PRO 11 10.172 4.230 3.816
78 HB3 PRO 11 1HB PRO 11 8.835 3.975 4.949
79 HG2 PRO 11 2HG PRO 11 10.287 1.952 3.951
80 HG3 PRO 11 1HG PRO 11 8.572 1.791 4.376
81 HD2 PRO 11 2HD PRO 11 9.836 2.072 1.694
82 HD3 PRO 11 1HD PRO 11 8.421 1.117 2.185
83 H ARG 12 H ARG 12 10.009 4.390 1.143
84 HA ARG 12 HA ARG 12 10.929 6.992 1.293
85 HB2 ARG 12 2HB ARG 12 10.758 5.224 -1.153
86 HB3 ARG 12 1HB ARG 12 11.755 6.666 -1.015
87 HG2 ARG 12 2HG ARG 12 13.048 5.630 0.759
88 HG3 ARG 12 1HG ARG 12 12.022 4.197 0.689
89 HD2 ARG 12 2HD ARG 12 13.756 5.241 -1.548
90 HD3 ARG 12 1HD ARG 12 14.128 3.862 -0.514
91 HE ARG 12 HE ARG 12 11.612 3.544 -1.798
92 HH11 ARG 12 2HH1 ARG 12 15.052 3.338 -2.352
93 HH12 ARG 12 1HH1 ARG 12 14.904 2.176 -3.627
94 HH21 ARG 12 1HH2 ARG 12 11.415 2.017 -3.476
95 HH22 ARG 12 2HH2 ARG 12 12.839 1.427 -4.267
96 H THR 13 H THR 13 8.052 5.760 -0.256
97 HA THR 13 HA THR 13 7.433 8.494 -1.156
98 HB THR 13 HB THR 13 6.007 7.525 -2.913
99 HG1 THR 13 1HG THR 13 6.122 5.275 -3.289
100 HG21 THR 13 3HG2 THR 13 8.316 8.109 -3.455
101 HG22 THR 13 1HG2 THR 13 7.800 6.687 -4.364
102 HG23 THR 13 2HG2 THR 13 8.849 6.502 -2.957
103 H GLY 14 H GLY 14 6.802 6.658 1.298
104 HA2 GLY 14 2HA GLY 14 5.021 6.247 2.703
105 HA3 GLY 14 1HA GLY 14 4.564 7.878 2.244
106 H THR 15 H THR 15 4.642 5.252 -0.068
107 HA THR 15 HA THR 15 1.761 4.865 0.125
108 HB THR 15 HB THR 15 1.415 5.279 -2.287
109 HG1 THR 15 1HG THR 15 3.972 6.525 -2.262
110 HG21 THR 15 3HG2 THR 15 0.880 7.037 -0.676
111 HG22 THR 15 1HG2 THR 15 1.473 7.730 -2.186
112 HG23 THR 15 2HG2 THR 15 2.532 7.646 -0.778
113 H TRP 16 H TRP 16 0.993 3.037 -1.076
114 HA TRP 16 HA TRP 16 2.807 0.854 -1.055
115 HB2 TRP 16 2HB TRP 16 0.010 1.051 -2.193
116 HB3 TRP 16 1HB TRP 16 0.898 -0.449 -1.942
117 HD1 TRP 16 HD TRP 16 -1.000 2.265 -0.045
118 HE1 TRP 16 1HE TRP 16 -1.450 1.442 2.351
119 HE3 TRP 16 3HE TRP 16 1.820 -2.000 -0.106
120 HZ2 TRP 16 2HZ TRP 16 -0.710 -0.727 3.998
121 HZ3 TRP 16 3HZ TRP 16 1.896 -3.392 1.920
122 HH2 TRP 16 HH TRP 16 0.655 -2.768 3.930
123 H ARG 17 H ARG 17 2.486 -0.703 -3.157
124 HA ARG 17 HA ARG 17 3.959 0.661 -5.220
125 HB2 ARG 17 2HB ARG 17 3.088 -2.199 -4.860
126 HB3 ARG 17 1HB ARG 17 3.930 -1.642 -6.300
127 HG2 ARG 17 2HG ARG 17 5.002 -1.403 -3.498
128 HG3 ARG 17 1HG ARG 17 5.411 -2.698 -4.625
129 HD2 ARG 17 2HD ARG 17 6.277 -1.013 -6.201
130 HD3 ARG 17 1HD ARG 17 5.921 0.248 -5.024
131 HE ARG 17 HE ARG 17 7.516 -1.504 -3.674
132 HH11 ARG 17 2HH1 ARG 17 7.814 0.284 -6.657
133 HH12 ARG 17 1HH1 ARG 17 9.537 0.419 -6.551
134 HH21 ARG 17 2HH2 ARG 17 9.783 -1.330 -3.534
135 HH22 ARG 17 1HH2 ARG 17 10.656 -0.498 -4.778
136 H SER 18 H SER 18 1.302 -1.638 -5.682
137 HA SER 18 HA SER 18 -0.436 0.212 -6.943
138 HB2 SER 18 2HB SER 18 1.261 0.137 -8.715
139 HB3 SER 18 1HB SER 18 1.116 -1.620 -8.790
140 HG SER 18 HG SER 18 -0.947 -1.407 -9.573
141 H SER 19 H SER 19 0.601 -3.162 -6.718
142 HA SER 19 HA SER 19 -1.701 -4.467 -7.487
143 HB2 SER 19 2HB SER 19 -0.967 -6.321 -6.027
144 HB3 SER 19 1HB SER 19 0.374 -5.648 -6.950
145 HG SER 19 HG SER 19 0.752 -4.328 -4.989
146 H ILE 20 H ILE 20 -1.040 -2.773 -4.504
147 HA ILE 20 HA ILE 20 -3.758 -3.436 -3.569
148 HB ILE 20 HB ILE 20 -1.399 -2.631 -1.861
149 HG12 ILE 20 2HG1 ILE 20 -1.035 -4.856 -2.754
150 HG13 ILE 20 1HG1 ILE 20 -1.480 -4.982 -1.054
151 HG21 ILE 20 1HG2 ILE 20 -3.454 -1.929 -0.855
152 HG22 ILE 20 2HG2 ILE 20 -2.884 -3.360 0.003
153 HG23 ILE 20 3HG2 ILE 20 -4.199 -3.497 -1.164
154 HD11 ILE 20 3HD1 ILE 20 -3.790 -5.516 -1.746
155 HD12 ILE 20 1HD1 ILE 20 -2.599 -6.692 -2.303
156 HD13 ILE 20 2HD1 ILE 20 -3.255 -5.500 -3.426
157 H ALA 21 H ALA 21 -4.893 -1.742 -2.416
158 HA ALA 21 HA ALA 21 -4.982 0.682 -3.756
159 HB1 ALA 21 1HB ALA 21 -6.821 -0.188 -2.393
160 HB2 ALA 21 2HB ALA 21 -6.417 1.471 -1.954
161 HB3 ALA 21 3HB ALA 21 -5.890 0.135 -0.932
162 H TYR 22 H TYR 22 -3.438 2.163 -3.888
163 HA TYR 22 HA TYR 22 -1.323 2.436 -2.041
164 HB2 TYR 22 2HB TYR 22 -0.674 4.388 -3.335
165 HB3 TYR 22 1HB TYR 22 -1.168 3.093 -4.424
166 HD1 TYR 22 1HD TYR 22 -3.352 3.229 -5.591
167 HD2 TYR 22 2HD TYR 22 -1.865 6.453 -3.247
168 HE1 TYR 22 1HE TYR 22 -4.956 4.748 -6.671
169 HE2 TYR 22 2HE TYR 22 -3.465 7.980 -4.318
170 HH TYR 22 HH TYR 22 -4.760 8.126 -6.403
171 H GLY 23 H GLY 23 -0.829 4.169 -0.628
172 HA2 GLY 23 2HA GLY 23 -1.304 5.667 1.046
173 HA3 GLY 23 1HA GLY 23 -2.549 6.298 -0.022
174 H GLY 24 H GLY 24 -2.114 3.228 1.744
175 HA2 GLY 24 2HA GLY 24 -3.596 3.174 3.841
176 HA3 GLY 24 1HA GLY 24 -4.885 3.521 2.699
177 H GLY 25 H GLY 25 -3.264 1.107 4.320
178 HA2 GLY 25 2HA GLY 25 -4.636 -0.926 2.750
179 HA3 GLY 25 1HA GLY 25 -2.887 -1.063 2.821
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -13.448 -4.541 -1.225
2 H2 GLY 1 2HT GLY 1 -12.646 -3.420 -2.204
3 H3 GLY 1 3HT GLY 1 -14.245 -3.135 -1.728
4 HA2 GLY 1 1HA GLY 1 -12.737 -1.765 -0.443
5 HA3 GLY 1 2HA GLY 1 -13.571 -2.931 0.575
6 H VAL 2 H VAL 2 -12.423 -4.650 1.480
7 HA VAL 2 HA VAL 2 -9.595 -4.136 1.804
8 HB VAL 2 HB VAL 2 -11.263 -6.339 3.026
9 HG11 VAL 2 1HG1 VAL 2 -8.875 -6.791 3.089
10 HG12 VAL 2 2HG1 VAL 2 -9.478 -6.426 4.705
11 HG13 VAL 2 3HG1 VAL 2 -8.577 -5.207 3.803
12 HG21 VAL 2 3HG2 VAL 2 -11.392 -4.900 5.007
13 HG22 VAL 2 1HG2 VAL 2 -12.171 -4.157 3.610
14 HG23 VAL 2 2HG2 VAL 2 -10.574 -3.613 4.120
15 H VAL 3 H VAL 3 -7.923 -5.568 1.318
16 HA VAL 3 HA VAL 3 -8.536 -7.992 -0.171
17 HB VAL 3 HB VAL 3 -7.068 -7.395 -2.052
18 HG11 VAL 3 1HG1 VAL 3 -8.595 -5.836 -3.166
19 HG12 VAL 3 2HG1 VAL 3 -9.333 -5.453 -1.610
20 HG13 VAL 3 3HG1 VAL 3 -9.470 -7.081 -2.275
21 HG21 VAL 3 3HG2 VAL 3 -6.374 -5.074 -2.386
22 HG22 VAL 3 1HG2 VAL 3 -5.668 -5.750 -0.919
23 HG23 VAL 3 2HG2 VAL 3 -7.040 -4.646 -0.811
24 H ARG 4 H ARG 4 -6.200 -8.843 -1.010
25 HA ARG 4 HA ARG 4 -4.787 -9.450 1.383
26 HB2 ARG 4 2HB ARG 4 -3.501 -10.942 0.098
27 HB3 ARG 4 1HB ARG 4 -5.091 -10.961 -0.648
28 HG2 ARG 4 2HG ARG 4 -2.726 -9.388 -1.650
29 HG3 ARG 4 1HG ARG 4 -3.267 -10.941 -2.291
30 HD2 ARG 4 2HD ARG 4 -4.815 -8.353 -2.290
31 HD3 ARG 4 1HD ARG 4 -4.078 -9.136 -3.686
32 HE ARG 4 HE ARG 4 -5.867 -10.925 -2.469
33 HH11 ARG 4 1HH1 ARG 4 -5.882 -7.958 -4.305
34 HH12 ARG 4 2HH1 ARG 4 -7.440 -8.250 -5.000
35 HH21 ARG 4 1HH2 ARG 4 -7.917 -11.313 -3.384
36 HH22 ARG 4 2HH2 ARG 4 -8.596 -10.154 -4.478
37 H GLN 5 H GLN 5 -3.066 -8.517 2.265
38 HA GLN 5 HA GLN 5 -1.812 -6.292 0.825
39 HB2 GLN 5 2HB GLN 5 -1.012 -5.550 3.006
40 HB3 GLN 5 1HB GLN 5 -2.753 -5.793 3.037
41 HG2 GLN 5 2HG GLN 5 -2.436 -7.948 4.137
42 HG3 GLN 5 1HG GLN 5 -0.689 -7.709 4.101
43 HE21 GLN 5 1HE2 GLN 5 0.245 -6.183 5.463
44 HE22 GLN 5 2HE2 GLN 5 -0.594 -5.531 6.825
45 H TRP 6 H TRP 6 0.587 -5.975 1.619
46 HA TRP 6 HA TRP 6 2.145 -8.279 2.141
47 HB2 TRP 6 2HB TRP 6 3.172 -8.656 -0.003
48 HB3 TRP 6 1HB TRP 6 1.431 -8.737 -0.219
49 HD1 TRP 6 HD TRP 6 0.416 -6.083 -0.930
50 HE1 TRP 6 1HE TRP 6 1.286 -4.660 -2.890
51 HE3 TRP 6 3HE TRP 6 5.033 -8.202 -1.479
52 HZ2 TRP 6 2HZ TRP 6 3.623 -4.465 -4.460
53 HZ3 TRP 6 3HZ TRP 6 6.526 -7.334 -3.233
54 HH2 TRP 6 HH TRP 6 5.834 -5.505 -4.691
55 H SER 7 H SER 7 4.477 -7.331 0.610
56 HA SER 7 HA SER 7 5.164 -5.103 2.361
57 HB2 SER 7 2HB SER 7 6.689 -7.015 2.326
58 HB3 SER 7 1HB SER 7 6.903 -6.830 0.584
59 HG SER 7 HG SER 7 8.257 -5.251 0.923
60 H GLY 8 H GLY 8 3.492 -4.855 -0.142
61 HA2 GLY 8 2HA GLY 8 5.059 -3.518 -2.103
62 HA3 GLY 8 1HA GLY 8 3.308 -3.464 -1.966
63 H TYR 9 H TYR 9 3.318 -2.437 0.749
64 HA TYR 9 HA TYR 9 3.243 0.298 0.212
65 HB2 TYR 9 2HB TYR 9 1.990 -0.624 2.057
66 HB3 TYR 9 1HB TYR 9 3.468 -1.160 2.850
67 HD1 TYR 9 2HD TYR 9 2.191 2.059 1.423
68 HD2 TYR 9 1HD TYR 9 4.027 0.073 4.706
69 HE1 TYR 9 2HE TYR 9 2.304 4.192 2.640
70 HE2 TYR 9 1HE TYR 9 4.148 2.202 5.933
71 HH TYR 9 HH TYR 9 4.164 4.609 5.446
72 H ASP 10 H ASP 10 4.756 1.795 0.043
73 HA ASP 10 HA ASP 10 7.432 1.225 1.134
74 HB2 ASP 10 2HB ASP 10 7.311 1.339 -1.348
75 HB3 ASP 10 1HB ASP 10 6.724 2.994 -1.216
76 HA PRO 11 HA PRO 11 5.966 4.728 3.694
77 HB2 PRO 11 2HB PRO 11 7.886 4.343 5.625
78 HB3 PRO 11 1HB PRO 11 6.323 3.508 5.601
79 HG2 PRO 11 2HG PRO 11 8.991 2.536 4.723
80 HG3 PRO 11 1HG PRO 11 7.698 1.678 5.584
81 HD2 PRO 11 2HD PRO 11 8.129 1.339 2.947
82 HD3 PRO 11 1HD PRO 11 6.507 1.254 3.664
83 H ARG 12 H ARG 12 8.950 4.078 2.121
84 HA ARG 12 HA ARG 12 10.498 6.254 2.976
85 HB2 ARG 12 2HB ARG 12 10.555 5.165 0.167
86 HB3 ARG 12 1HB ARG 12 11.876 5.870 1.087
87 HG2 ARG 12 2HG ARG 12 11.802 3.927 2.610
88 HG3 ARG 12 1HG ARG 12 10.561 3.208 1.583
89 HD2 ARG 12 2HD ARG 12 12.208 3.448 -0.330
90 HD3 ARG 12 1HD ARG 12 13.424 3.807 0.895
91 HE ARG 12 HE ARG 12 11.953 1.364 1.330
92 HH11 ARG 12 2HH1 ARG 12 14.764 2.822 -0.140
93 HH12 ARG 12 1HH1 ARG 12 15.658 1.339 -0.193
94 HH21 ARG 12 1HH2 ARG 12 13.130 -0.583 1.267
95 HH22 ARG 12 2HH2 ARG 12 14.730 -0.592 0.605
96 H THR 13 H THR 13 7.941 5.991 0.600
97 HA THR 13 HA THR 13 7.908 8.911 0.381
98 HB THR 13 HB THR 13 9.050 8.224 -1.616
99 HG1 THR 13 1HG THR 13 7.453 8.935 -3.184
100 HG21 THR 13 3HG2 THR 13 6.731 6.345 -2.066
101 HG22 THR 13 1HG2 THR 13 8.390 5.887 -1.683
102 HG23 THR 13 2HG2 THR 13 8.023 6.662 -3.224
103 H GLY 14 H GLY 14 6.298 6.633 1.622
104 HA2 GLY 14 2HA GLY 14 4.093 6.084 1.977
105 HA3 GLY 14 1HA GLY 14 3.801 7.782 1.636
106 H THR 15 H THR 15 4.419 4.719 -0.083
107 HA THR 15 HA THR 15 2.100 5.186 -1.750
108 HB THR 15 HB THR 15 3.348 4.891 -3.875
109 HG1 THR 15 1HG THR 15 5.382 4.354 -3.727
110 HG21 THR 15 3HG2 THR 15 4.211 7.296 -2.266
111 HG22 THR 15 1HG2 THR 15 2.677 7.131 -3.119
112 HG23 THR 15 2HG2 THR 15 4.190 7.177 -4.024
113 H TRP 16 H TRP 16 1.824 3.341 -3.344
114 HA TRP 16 HA TRP 16 2.834 0.837 -2.165
115 HB2 TRP 16 2HB TRP 16 0.075 1.607 -3.049
116 HB3 TRP 16 1HB TRP 16 0.570 -0.083 -3.103
117 HD1 TRP 16 HD TRP 16 0.621 2.769 -0.453
118 HE1 TRP 16 1HE TRP 16 -0.025 1.741 1.815
119 HE3 TRP 16 3HE TRP 16 0.087 -2.108 -1.894
120 HZ2 TRP 16 2HZ TRP 16 -0.674 -0.801 2.858
121 HZ3 TRP 16 3HZ TRP 16 -0.548 -3.774 -0.199
122 HH2 TRP 16 HH TRP 16 -0.919 -3.132 2.128
123 H ARG 17 H ARG 17 3.080 -0.954 -3.617
124 HA ARG 17 HA ARG 17 3.835 -0.075 -6.296
125 HB2 ARG 17 2HB ARG 17 4.356 -2.739 -4.976
126 HB3 ARG 17 1HB ARG 17 5.105 -2.126 -6.444
127 HG2 ARG 17 2HG ARG 17 6.175 -0.347 -5.137
128 HG3 ARG 17 1HG ARG 17 5.446 -1.003 -3.670
129 HD2 ARG 17 2HD ARG 17 7.761 -1.739 -3.914
130 HD3 ARG 17 1HD ARG 17 6.645 -3.100 -3.999
131 HE ARG 17 HE ARG 17 7.183 -2.159 -6.598
132 HH11 ARG 17 2HH1 ARG 17 8.724 -3.870 -3.974
133 HH12 ARG 17 1HH1 ARG 17 9.797 -4.749 -5.011
134 HH21 ARG 17 2HH2 ARG 17 8.596 -3.313 -7.963
135 HH22 ARG 17 1HH2 ARG 17 9.725 -4.432 -7.275
136 H SER 18 H SER 18 2.366 -3.047 -4.995
137 HA SER 18 HA SER 18 1.234 -3.891 -7.403
138 HB2 SER 18 2HB SER 18 1.524 -5.375 -5.467
139 HB3 SER 18 1HB SER 18 0.290 -4.475 -4.586
140 HG SER 18 HG SER 18 -0.052 -6.006 -6.949
141 H SER 19 H SER 19 -1.357 -4.375 -7.239
142 HA SER 19 HA SER 19 -2.535 -1.775 -7.643
143 HB2 SER 19 2HB SER 19 -3.728 -4.544 -7.898
144 HB3 SER 19 1HB SER 19 -4.512 -3.048 -8.406
145 HG SER 19 HG SER 19 -3.305 -3.006 -10.133
146 H ILE 20 H ILE 20 -2.037 -3.535 -4.918
147 HA ILE 20 HA ILE 20 -4.523 -3.537 -3.614
148 HB ILE 20 HB ILE 20 -1.821 -3.184 -2.308
149 HG12 ILE 20 2HG1 ILE 20 -1.740 -5.114 -3.784
150 HG13 ILE 20 1HG1 ILE 20 -1.818 -5.659 -2.112
151 HG21 ILE 20 1HG2 ILE 20 -3.603 -2.787 -0.759
152 HG22 ILE 20 2HG2 ILE 20 -2.932 -4.384 -0.425
153 HG23 ILE 20 3HG2 ILE 20 -4.458 -4.234 -1.295
154 HD11 ILE 20 3HD1 ILE 20 -4.200 -6.113 -2.371
155 HD12 ILE 20 1HD1 ILE 20 -3.235 -7.004 -3.547
156 HD13 ILE 20 2HD1 ILE 20 -4.122 -5.565 -4.047
157 H ALA 21 H ALA 21 -5.191 -2.121 -1.817
158 HA ALA 21 HA ALA 21 -5.563 0.491 -2.508
159 HB1 ALA 21 1HB ALA 21 -6.131 0.941 -0.188
160 HB2 ALA 21 2HB ALA 21 -5.316 -0.540 0.315
161 HB3 ALA 21 3HB ALA 21 -6.763 -0.627 -0.688
162 H TYR 22 H TYR 22 -4.308 2.210 -2.721
163 HA TYR 22 HA TYR 22 -1.649 2.165 -1.482
164 HB2 TYR 22 2HB TYR 22 -0.986 3.784 -3.184
165 HB3 TYR 22 1HB TYR 22 -1.687 2.354 -3.933
166 HD1 TYR 22 1HD TYR 22 -4.135 2.483 -4.675
167 HD2 TYR 22 2HD TYR 22 -1.833 5.913 -3.657
168 HE1 TYR 22 1HE TYR 22 -5.718 3.904 -5.907
169 HE2 TYR 22 2HE TYR 22 -3.411 7.343 -4.886
170 HH TYR 22 HH TYR 22 -5.059 7.132 -6.703
171 H GLY 23 H GLY 23 -0.775 4.471 -1.074
172 HA2 GLY 23 2HA GLY 23 -0.892 6.427 0.127
173 HA3 GLY 23 1HA GLY 23 -2.573 6.541 -0.367
174 H GLY 24 H GLY 24 -0.823 4.178 1.645
175 HA2 GLY 24 2HA GLY 24 -1.037 4.321 4.090
176 HA3 GLY 24 1HA GLY 24 -2.695 4.841 3.835
177 H GLY 25 H GLY 25 -4.117 3.236 2.684
178 HA2 GLY 25 2HA GLY 25 -4.643 0.973 2.155
179 HA3 GLY 25 1HA GLY 25 -3.305 0.456 3.171
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -11.465 -3.105 -5.727
2 H2 GLY 1 2HT GLY 1 -11.599 -3.953 -7.185
3 H3 GLY 1 3HT GLY 1 -10.146 -3.984 -6.321
4 HA2 GLY 1 1HA GLY 1 -12.726 -5.142 -5.420
5 HA3 GLY 1 2HA GLY 1 -11.358 -6.056 -6.040
6 H VAL 2 H VAL 2 -12.451 -6.595 -3.558
7 HA VAL 2 HA VAL 2 -10.861 -5.291 -1.524
8 HB VAL 2 HB VAL 2 -12.650 -7.712 -1.254
9 HG11 VAL 2 1HG1 VAL 2 -11.065 -7.478 0.575
10 HG12 VAL 2 2HG1 VAL 2 -12.699 -7.108 1.123
11 HG13 VAL 2 3HG1 VAL 2 -11.557 -5.801 0.808
12 HG21 VAL 2 3HG2 VAL 2 -13.908 -5.812 -2.112
13 HG22 VAL 2 1HG2 VAL 2 -13.280 -4.794 -0.817
14 HG23 VAL 2 2HG2 VAL 2 -14.350 -6.144 -0.437
15 H VAL 3 H VAL 3 -8.932 -5.935 -0.822
16 HA VAL 3 HA VAL 3 -8.140 -8.731 -1.058
17 HB VAL 3 HB VAL 3 -5.970 -8.171 -2.073
18 HG11 VAL 3 1HG1 VAL 3 -8.346 -7.286 -3.709
19 HG12 VAL 3 2HG1 VAL 3 -7.785 -8.945 -3.497
20 HG13 VAL 3 3HG1 VAL 3 -6.779 -7.777 -4.352
21 HG21 VAL 3 3HG2 VAL 3 -7.152 -5.414 -2.414
22 HG22 VAL 3 1HG2 VAL 3 -5.634 -5.974 -3.115
23 HG23 VAL 3 2HG2 VAL 3 -5.804 -5.848 -1.364
24 H ARG 4 H ARG 4 -5.681 -8.808 -0.202
25 HA ARG 4 HA ARG 4 -5.784 -7.487 2.415
26 HB2 ARG 4 2HB ARG 4 -4.236 -9.904 1.471
27 HB3 ARG 4 1HB ARG 4 -4.108 -9.213 3.083
28 HG2 ARG 4 2HG ARG 4 -6.599 -10.375 1.855
29 HG3 ARG 4 1HG ARG 4 -5.574 -11.151 3.064
30 HD2 ARG 4 2HD ARG 4 -7.114 -8.581 3.420
31 HD3 ARG 4 1HD ARG 4 -7.550 -10.153 4.090
32 HE ARG 4 HE ARG 4 -4.998 -9.629 4.989
33 HH11 ARG 4 1HH1 ARG 4 -8.133 -8.118 5.253
34 HH12 ARG 4 2HH1 ARG 4 -7.806 -7.424 6.804
35 HH21 ARG 4 1HH2 ARG 4 -4.566 -8.713 7.029
36 HH22 ARG 4 2HH2 ARG 4 -5.782 -7.761 7.813
37 H GLN 5 H GLN 5 -3.310 -7.406 3.296
38 HA GLN 5 HA GLN 5 -1.993 -5.543 1.462
39 HB2 GLN 5 2HB GLN 5 -0.752 -4.779 3.438
40 HB3 GLN 5 1HB GLN 5 -2.490 -4.695 3.693
41 HG2 GLN 5 2HG GLN 5 -2.402 -6.776 4.972
42 HG3 GLN 5 1HG GLN 5 -0.659 -6.853 4.720
43 HE21 GLN 5 1HE2 GLN 5 0.679 -5.400 5.799
44 HE22 GLN 5 2HE2 GLN 5 0.137 -4.497 7.168
45 H TRP 6 H TRP 6 0.540 -5.514 2.016
46 HA TRP 6 HA TRP 6 1.785 -8.031 2.430
47 HB2 TRP 6 2HB TRP 6 2.539 -8.532 0.198
48 HB3 TRP 6 1HB TRP 6 0.792 -8.355 0.151
49 HD1 TRP 6 HD TRP 6 0.156 -5.526 -0.422
50 HE1 TRP 6 1HE TRP 6 1.021 -4.242 -2.478
51 HE3 TRP 6 3HE TRP 6 4.235 -8.403 -1.515
52 HZ2 TRP 6 2HZ TRP 6 3.153 -4.424 -4.317
53 HZ3 TRP 6 3HZ TRP 6 5.637 -7.777 -3.437
54 HH2 TRP 6 HH TRP 6 5.106 -5.829 -4.810
55 H SER 7 H SER 7 4.086 -7.442 0.709
56 HA SER 7 HA SER 7 5.250 -5.345 2.363
57 HB2 SER 7 2HB SER 7 7.412 -6.167 1.495
58 HB3 SER 7 1HB SER 7 6.460 -7.465 2.218
59 HG SER 7 HG SER 7 7.474 -7.877 0.091
60 H GLY 8 H GLY 8 3.418 -4.784 0.059
61 HA2 GLY 8 2HA GLY 8 5.064 -3.662 -2.013
62 HA3 GLY 8 1HA GLY 8 3.328 -3.462 -1.837
63 H TYR 9 H TYR 9 3.549 -2.463 0.910
64 HA TYR 9 HA TYR 9 3.484 0.240 0.486
65 HB2 TYR 9 2HB TYR 9 2.677 -0.762 2.547
66 HB3 TYR 9 1HB TYR 9 4.316 -1.210 3.005
67 HD1 TYR 9 2HD TYR 9 2.037 1.657 2.481
68 HD2 TYR 9 1HD TYR 9 5.749 0.336 4.088
69 HE1 TYR 9 2HE TYR 9 2.295 3.810 3.642
70 HE2 TYR 9 1HE TYR 9 6.019 2.486 5.251
71 HH TYR 9 HH TYR 9 3.487 4.727 5.581
72 H ASP 10 H ASP 10 4.951 1.594 -0.254
73 HA ASP 10 HA ASP 10 7.789 1.046 0.215
74 HB2 ASP 10 2HB ASP 10 8.078 2.875 -1.553
75 HB3 ASP 10 1HB ASP 10 7.398 1.339 -2.091
76 HA PRO 11 HA PRO 11 7.176 4.327 3.343
77 HB2 PRO 11 2HB PRO 11 9.591 3.811 4.573
78 HB3 PRO 11 1HB PRO 11 8.070 2.999 4.982
79 HG2 PRO 11 2HG PRO 11 10.322 2.045 3.300
80 HG3 PRO 11 1HG PRO 11 9.294 1.150 4.437
81 HD2 PRO 11 2HD PRO 11 8.954 1.005 1.765
82 HD3 PRO 11 1HD PRO 11 7.604 0.875 2.909
83 H ARG 12 H ARG 12 9.619 3.741 0.980
84 HA ARG 12 HA ARG 12 11.319 5.925 1.443
85 HB2 ARG 12 2HB ARG 12 11.917 5.686 -0.972
86 HB3 ARG 12 1HB ARG 12 12.006 4.184 -0.062
87 HG2 ARG 12 2HG ARG 12 9.862 3.485 -0.968
88 HG3 ARG 12 1HG ARG 12 9.730 5.005 -1.856
89 HD2 ARG 12 2HD ARG 12 10.506 3.214 -3.312
90 HD3 ARG 12 1HD ARG 12 11.751 4.447 -3.112
91 HE ARG 12 HE ARG 12 12.167 2.447 -1.200
92 HH11 ARG 12 2HH1 ARG 12 12.317 2.877 -4.659
93 HH12 ARG 12 1HH1 ARG 12 13.544 1.677 -4.881
94 HH21 ARG 12 1HH2 ARG 12 13.781 0.869 -1.490
95 HH22 ARG 12 2HH2 ARG 12 14.376 0.535 -3.082
96 H THR 13 H THR 13 8.269 5.647 -0.288
97 HA THR 13 HA THR 13 8.261 8.574 -0.584
98 HB THR 13 HB THR 13 6.872 8.339 -2.591
99 HG1 THR 13 1HG THR 13 6.307 6.371 -3.364
100 HG21 THR 13 3HG2 THR 13 9.277 8.509 -2.895
101 HG22 THR 13 1HG2 THR 13 8.594 7.419 -4.102
102 HG23 THR 13 2HG2 THR 13 9.447 6.764 -2.703
103 H GLY 14 H GLY 14 7.119 6.415 1.350
104 HA2 GLY 14 2HA GLY 14 5.241 6.154 2.646
105 HA3 GLY 14 1HA GLY 14 4.979 7.861 2.334
106 H THR 15 H THR 15 4.795 4.944 0.293
107 HA THR 15 HA THR 15 1.938 5.223 0.010
108 HB THR 15 HB THR 15 1.974 5.438 -2.451
109 HG1 THR 15 1HG THR 15 4.715 6.148 -2.178
110 HG21 THR 15 3HG2 THR 15 2.441 7.811 -2.552
111 HG22 THR 15 1HG2 THR 15 3.420 7.713 -1.088
112 HG23 THR 15 2HG2 THR 15 1.681 7.432 -1.008
113 H TRP 16 H TRP 16 1.297 3.642 -1.967
114 HA TRP 16 HA TRP 16 2.737 1.131 -1.426
115 HB2 TRP 16 2HB TRP 16 -0.149 1.611 -2.187
116 HB3 TRP 16 1HB TRP 16 0.589 0.017 -2.082
117 HD1 TRP 16 HD TRP 16 -0.380 2.995 0.162
118 HE1 TRP 16 1HE TRP 16 -0.660 2.134 2.569
119 HE3 TRP 16 3HE TRP 16 1.195 -1.823 -0.509
120 HZ2 TRP 16 2HZ TRP 16 -0.269 -0.269 3.997
121 HZ3 TRP 16 3HZ TRP 16 1.211 -3.339 1.429
122 HH2 TRP 16 HH TRP 16 0.495 -2.576 3.635
123 H ARG 17 H ARG 17 2.924 -0.403 -3.190
124 HA ARG 17 HA ARG 17 3.915 0.771 -5.529
125 HB2 ARG 17 2HB ARG 17 3.145 -2.086 -4.938
126 HB3 ARG 17 1HB ARG 17 3.950 -1.584 -6.420
127 HG2 ARG 17 2HG ARG 17 5.789 -0.657 -5.002
128 HG3 ARG 17 1HG ARG 17 5.004 -1.406 -3.612
129 HD2 ARG 17 2HD ARG 17 6.779 -2.828 -4.459
130 HD3 ARG 17 1HD ARG 17 5.208 -3.598 -4.680
131 HE ARG 17 HE ARG 17 5.858 -2.186 -7.013
132 HH11 ARG 17 2HH1 ARG 17 6.899 -4.995 -5.223
133 HH12 ARG 17 1HH1 ARG 17 7.485 -5.825 -6.624
134 HH21 ARG 17 2HH2 ARG 17 6.627 -3.278 -8.858
135 HH22 ARG 17 1HH2 ARG 17 7.331 -4.851 -8.687
136 H SER 18 H SER 18 1.393 -1.699 -5.823
137 HA SER 18 HA SER 18 -0.554 0.017 -6.949
138 HB2 SER 18 2HB SER 18 1.034 0.160 -8.801
139 HB3 SER 18 1HB SER 18 1.087 -1.598 -8.913
140 HG SER 18 HG SER 18 -0.515 -1.358 -10.243
141 H SER 19 H SER 19 0.785 -3.251 -6.850
142 HA SER 19 HA SER 19 -1.327 -4.797 -7.611
143 HB2 SER 19 2HB SER 19 0.833 -5.732 -6.942
144 HB3 SER 19 1HB SER 19 0.511 -5.309 -5.261
145 HG SER 19 HG SER 19 -1.074 -7.071 -6.823
146 H ILE 20 H ILE 20 -0.984 -3.028 -4.607
147 HA ILE 20 HA ILE 20 -3.734 -3.816 -3.901
148 HB ILE 20 HB ILE 20 -1.527 -3.216 -1.927
149 HG12 ILE 20 2HG1 ILE 20 -1.138 -5.349 -3.093
150 HG13 ILE 20 1HG1 ILE 20 -1.567 -5.610 -1.405
151 HG21 ILE 20 1HG2 ILE 20 -3.148 -4.095 -0.276
152 HG22 ILE 20 2HG2 ILE 20 -4.358 -4.182 -1.556
153 HG23 ILE 20 3HG2 ILE 20 -3.699 -2.620 -1.071
154 HD11 ILE 20 3HD1 ILE 20 -3.438 -5.879 -3.745
155 HD12 ILE 20 1HD1 ILE 20 -3.831 -6.188 -2.054
156 HD13 ILE 20 2HD1 ILE 20 -2.658 -7.208 -2.886
157 H ALA 21 H ALA 21 -4.958 -2.213 -2.730
158 HA ALA 21 HA ALA 21 -4.908 0.322 -3.823
159 HB1 ALA 21 1HB ALA 21 -6.459 0.977 -2.067
160 HB2 ALA 21 2HB ALA 21 -6.024 -0.453 -1.130
161 HB3 ALA 21 3HB ALA 21 -6.851 -0.631 -2.678
162 H TYR 22 H TYR 22 -3.868 2.185 -3.420
163 HA TYR 22 HA TYR 22 -1.823 2.159 -1.329
164 HB2 TYR 22 2HB TYR 22 -0.830 4.051 -2.531
165 HB3 TYR 22 1HB TYR 22 -1.081 2.681 -3.608
166 HD1 TYR 22 1HD TYR 22 -2.920 2.741 -5.273
167 HD2 TYR 22 2HD TYR 22 -1.953 6.126 -2.886
168 HE1 TYR 22 1HE TYR 22 -4.176 4.183 -6.819
169 HE2 TYR 22 2HE TYR 22 -3.206 7.577 -4.423
170 HH TYR 22 HH TYR 22 -5.308 6.364 -6.794
171 H GLY 23 H GLY 23 -1.355 4.574 -0.570
172 HA2 GLY 23 2HA GLY 23 -2.184 6.554 0.376
173 HA3 GLY 23 1HA GLY 23 -3.815 6.036 -0.024
174 H GLY 24 H GLY 24 -4.228 3.742 1.201
175 HA2 GLY 24 2HA GLY 24 -3.564 4.267 4.034
176 HA3 GLY 24 1HA GLY 24 -5.158 3.742 3.516
177 H GLY 25 H GLY 25 -5.468 1.587 2.845
178 HA2 GLY 25 2HA GLY 25 -4.606 -0.612 2.368
179 HA3 GLY 25 1HA GLY 25 -3.208 -0.231 3.361
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -10.815 -1.600 1.613
2 H2 GLY 1 2HT GLY 1 -11.224 -0.191 0.769
3 H3 GLY 1 3HT GLY 1 -9.733 -0.941 0.491
4 HA2 GLY 1 1HA GLY 1 -12.396 -2.085 -0.149
5 HA3 GLY 1 2HA GLY 1 -11.276 -1.396 -1.314
6 H VAL 2 H VAL 2 -8.875 -2.422 -0.540
7 HA VAL 2 HA VAL 2 -8.999 -5.055 -1.581
8 HB VAL 2 HB VAL 2 -7.055 -3.520 -1.856
9 HG11 VAL 2 1HG1 VAL 2 -6.480 -4.240 1.015
10 HG12 VAL 2 2HG1 VAL 2 -6.947 -2.649 0.417
11 HG13 VAL 2 3HG1 VAL 2 -5.404 -3.351 -0.062
12 HG21 VAL 2 3HG2 VAL 2 -5.347 -5.252 -1.676
13 HG22 VAL 2 1HG2 VAL 2 -6.854 -5.911 -2.311
14 HG23 VAL 2 2HG2 VAL 2 -6.406 -6.197 -0.630
15 H VAL 3 H VAL 3 -8.211 -7.013 -0.525
16 HA VAL 3 HA VAL 3 -8.592 -7.023 2.393
17 HB VAL 3 HB VAL 3 -9.803 -9.179 2.202
18 HG11 VAL 3 1HG1 VAL 3 -11.941 -8.220 1.481
19 HG12 VAL 3 2HG1 VAL 3 -11.083 -6.859 0.758
20 HG13 VAL 3 3HG1 VAL 3 -11.039 -7.104 2.505
21 HG21 VAL 3 3HG2 VAL 3 -8.988 -9.875 0.018
22 HG22 VAL 3 1HG2 VAL 3 -9.840 -8.533 -0.745
23 HG23 VAL 3 2HG2 VAL 3 -10.751 -9.827 0.034
24 H ARG 4 H ARG 4 -6.118 -7.011 1.059
25 HA ARG 4 HA ARG 4 -4.878 -9.262 2.241
26 HB2 ARG 4 2HB ARG 4 -3.905 -10.112 0.010
27 HB3 ARG 4 1HB ARG 4 -5.532 -10.605 0.455
28 HG2 ARG 4 2HG ARG 4 -6.472 -8.925 -1.022
29 HG3 ARG 4 1HG ARG 4 -4.851 -8.363 -1.436
30 HD2 ARG 4 2HD ARG 4 -5.779 -9.841 -3.162
31 HD3 ARG 4 1HD ARG 4 -4.329 -10.518 -2.423
32 HE ARG 4 HE ARG 4 -6.402 -11.578 -0.990
33 HH11 ARG 4 1HH1 ARG 4 -5.500 -11.526 -4.360
34 HH12 ARG 4 2HH1 ARG 4 -6.232 -13.056 -4.709
35 HH21 ARG 4 1HH2 ARG 4 -7.366 -13.591 -1.447
36 HH22 ARG 4 2HH2 ARG 4 -7.291 -14.228 -3.057
37 H GLN 5 H GLN 5 -2.996 -8.530 2.916
38 HA GLN 5 HA GLN 5 -1.756 -6.280 1.505
39 HB2 GLN 5 2HB GLN 5 -0.547 -5.815 3.539
40 HB3 GLN 5 1HB GLN 5 -2.252 -6.002 3.921
41 HG2 GLN 5 2HG GLN 5 -0.337 -8.287 4.204
42 HG3 GLN 5 1HG GLN 5 -0.524 -7.078 5.472
43 HE21 GLN 5 1HE2 GLN 5 -2.461 -6.956 6.606
44 HE22 GLN 5 2HE2 GLN 5 -3.619 -8.238 6.586
45 H TRP 6 H TRP 6 0.767 -6.297 1.856
46 HA TRP 6 HA TRP 6 2.097 -8.799 1.838
47 HB2 TRP 6 2HB TRP 6 2.717 -8.967 -0.492
48 HB3 TRP 6 1HB TRP 6 0.963 -8.916 -0.380
49 HD1 TRP 6 HD TRP 6 0.667 -5.721 -0.141
50 HE1 TRP 6 1HE TRP 6 1.075 -4.284 -2.238
51 HE3 TRP 6 3HE TRP 6 3.465 -9.026 -2.860
52 HZ2 TRP 6 2HZ TRP 6 2.405 -4.520 -4.717
53 HZ3 TRP 6 3HZ TRP 6 4.267 -8.342 -5.084
54 HH2 TRP 6 HH TRP 6 3.746 -6.136 -5.992
55 H SER 7 H SER 7 4.352 -8.255 0.400
56 HA SER 7 HA SER 7 5.486 -6.060 1.939
57 HB2 SER 7 2HB SER 7 6.667 -8.204 1.957
58 HB3 SER 7 1HB SER 7 6.816 -8.151 0.200
59 HG SER 7 HG SER 7 8.645 -7.369 1.618
60 H GLY 8 H GLY 8 3.795 -5.095 0.007
61 HA2 GLY 8 2HA GLY 8 5.655 -4.047 -2.037
62 HA3 GLY 8 1HA GLY 8 3.939 -4.293 -2.321
63 H TYR 9 H TYR 9 5.261 -2.950 0.635
64 HA TYR 9 HA TYR 9 3.801 -0.473 0.094
65 HB2 TYR 9 2HB TYR 9 3.291 -1.607 2.201
66 HB3 TYR 9 1HB TYR 9 4.987 -1.538 2.666
67 HD1 TYR 9 2HD TYR 9 2.071 0.626 1.845
68 HD2 TYR 9 1HD TYR 9 5.807 0.298 3.857
69 HE1 TYR 9 2HE TYR 9 1.681 2.807 2.911
70 HE2 TYR 9 1HE TYR 9 5.426 2.479 4.927
71 HH TYR 9 HH TYR 9 4.126 4.507 4.567
72 H ASP 10 H ASP 10 4.757 1.507 0.022
73 HA ASP 10 HA ASP 10 7.697 1.529 -0.006
74 HB2 ASP 10 2HB ASP 10 6.679 2.103 -2.150
75 HB3 ASP 10 1HB ASP 10 5.734 3.373 -1.381
76 HA PRO 11 HA PRO 11 6.910 4.038 3.707
77 HB2 PRO 11 2HB PRO 11 9.684 3.498 4.389
78 HB3 PRO 11 1HB PRO 11 8.214 2.943 5.207
79 HG2 PRO 11 2HG PRO 11 9.902 1.297 3.863
80 HG3 PRO 11 1HG PRO 11 8.174 0.973 4.097
81 HD2 PRO 11 2HD PRO 11 9.589 2.014 1.687
82 HD3 PRO 11 1HD PRO 11 8.222 0.885 1.798
83 H ARG 12 H ARG 12 9.672 4.164 1.518
84 HA ARG 12 HA ARG 12 10.835 6.547 2.323
85 HB2 ARG 12 2HB ARG 12 11.633 6.737 -0.041
86 HB3 ARG 12 1HB ARG 12 11.944 5.180 0.709
87 HG2 ARG 12 2HG ARG 12 9.970 4.262 -0.450
88 HG3 ARG 12 1HG ARG 12 9.756 5.818 -1.254
89 HD2 ARG 12 2HD ARG 12 10.924 4.244 -2.700
90 HD3 ARG 12 1HD ARG 12 11.962 5.602 -2.274
91 HE ARG 12 HE ARG 12 12.425 3.556 -0.435
92 HH11 ARG 12 2HH1 ARG 12 12.866 4.176 -3.841
93 HH12 ARG 12 1HH1 ARG 12 14.245 3.136 -3.978
94 HH21 ARG 12 1HH2 ARG 12 14.237 2.188 -0.614
95 HH22 ARG 12 2HH2 ARG 12 15.023 2.008 -2.147
96 H THR 13 H THR 13 7.921 6.022 0.449
97 HA THR 13 HA THR 13 7.498 8.932 0.464
98 HB THR 13 HB THR 13 6.331 8.811 -1.673
99 HG1 THR 13 1HG THR 13 6.335 6.852 -2.844
100 HG21 THR 13 3HG2 THR 13 8.704 9.296 -1.755
101 HG22 THR 13 1HG2 THR 13 8.261 8.291 -3.134
102 HG23 THR 13 2HG2 THR 13 9.085 7.574 -1.749
103 H GLY 14 H GLY 14 6.564 6.414 2.029
104 HA2 GLY 14 2HA GLY 14 4.636 5.665 3.035
105 HA3 GLY 14 1HA GLY 14 4.192 7.362 3.014
106 H THR 15 H THR 15 4.416 4.735 0.606
107 HA THR 15 HA THR 15 1.587 4.914 0.066
108 HB THR 15 HB THR 15 1.897 5.334 -2.374
109 HG1 THR 15 1HG THR 15 3.905 6.275 -3.007
110 HG21 THR 15 3HG2 THR 15 2.135 7.747 -2.188
111 HG22 THR 15 1HG2 THR 15 2.875 7.572 -0.598
112 HG23 THR 15 2HG2 THR 15 1.186 7.127 -0.837
113 H TRP 16 H TRP 16 0.998 3.374 -1.773
114 HA TRP 16 HA TRP 16 2.575 0.936 -1.411
115 HB2 TRP 16 2HB TRP 16 -0.244 1.411 -2.376
116 HB3 TRP 16 1HB TRP 16 0.535 -0.168 -2.430
117 HD1 TRP 16 HD TRP 16 -0.756 2.438 0.089
118 HE1 TRP 16 1HE TRP 16 -1.159 1.259 2.342
119 HE3 TRP 16 3HE TRP 16 1.175 -2.158 -1.044
120 HZ2 TRP 16 2HZ TRP 16 -0.715 -1.283 3.487
121 HZ3 TRP 16 3HZ TRP 16 1.148 -3.908 0.685
122 HH2 TRP 16 HH TRP 16 0.223 -3.477 2.904
123 H ARG 17 H ARG 17 2.185 -0.577 -3.511
124 HA ARG 17 HA ARG 17 3.591 0.836 -5.621
125 HB2 ARG 17 2HB ARG 17 3.004 -2.088 -5.168
126 HB3 ARG 17 1HB ARG 17 3.819 -1.480 -6.604
127 HG2 ARG 17 2HG ARG 17 4.792 -1.124 -3.777
128 HG3 ARG 17 1HG ARG 17 5.378 -2.340 -4.915
129 HD2 ARG 17 2HD ARG 17 6.096 -0.550 -6.435
130 HD3 ARG 17 1HD ARG 17 5.538 0.651 -5.272
131 HE ARG 17 HE ARG 17 7.332 -1.030 -3.960
132 HH11 ARG 17 2HH1 ARG 17 7.350 1.303 -6.557
133 HH12 ARG 17 1HH1 ARG 17 8.998 1.768 -6.295
134 HH21 ARG 17 2HH2 ARG 17 9.497 -0.419 -3.614
135 HH22 ARG 17 1HH2 ARG 17 10.217 0.791 -4.624
136 H SER 18 H SER 18 1.199 -1.756 -6.002
137 HA SER 18 HA SER 18 -0.725 -0.104 -7.298
138 HB2 SER 18 2HB SER 18 0.985 -1.884 -9.053
139 HB3 SER 18 1HB SER 18 -0.498 -1.082 -9.570
140 HG SER 18 HG SER 18 0.503 0.812 -9.574
141 H SER 19 H SER 19 0.587 -3.383 -6.998
142 HA SER 19 HA SER 19 -1.648 -4.875 -7.621
143 HB2 SER 19 2HB SER 19 0.414 -5.449 -5.479
144 HB3 SER 19 1HB SER 19 -0.699 -6.634 -6.163
145 HG SER 19 HG SER 19 1.245 -5.163 -7.621
146 H ILE 20 H ILE 20 -0.973 -3.039 -4.734
147 HA ILE 20 HA ILE 20 -3.601 -3.839 -3.664
148 HB ILE 20 HB ILE 20 -1.177 -3.034 -2.049
149 HG12 ILE 20 2HG1 ILE 20 -0.877 -5.250 -3.024
150 HG13 ILE 20 1HG1 ILE 20 -1.171 -5.388 -1.293
151 HG21 ILE 20 1HG2 ILE 20 -2.551 -3.772 -0.123
152 HG22 ILE 20 2HG2 ILE 20 -3.922 -3.955 -1.216
153 HG23 ILE 20 3HG2 ILE 20 -3.211 -2.364 -0.953
154 HD11 ILE 20 3HD1 ILE 20 -2.372 -7.093 -2.528
155 HD12 ILE 20 1HD1 ILE 20 -3.196 -5.850 -3.469
156 HD13 ILE 20 2HD1 ILE 20 -3.492 -5.985 -1.736
157 H ALA 21 H ALA 21 -4.750 -2.197 -2.472
158 HA ALA 21 HA ALA 21 -4.935 0.251 -3.736
159 HB1 ALA 21 1HB ALA 21 -6.691 -0.687 -2.308
160 HB2 ALA 21 2HB ALA 21 -6.306 0.976 -1.864
161 HB3 ALA 21 3HB ALA 21 -5.701 -0.361 -0.884
162 H TYR 22 H TYR 22 -3.822 2.096 -3.671
163 HA TYR 22 HA TYR 22 -1.713 2.353 -1.643
164 HB2 TYR 22 2HB TYR 22 -0.589 3.858 -3.198
165 HB3 TYR 22 1HB TYR 22 -0.958 2.330 -3.991
166 HD1 TYR 22 2HD TYR 22 -2.968 2.227 -5.533
167 HD2 TYR 22 1HD TYR 22 -1.381 5.894 -4.071
168 HE1 TYR 22 2HE TYR 22 -4.122 3.439 -7.336
169 HE2 TYR 22 1HE TYR 22 -2.531 7.116 -5.868
170 HH TYR 22 HH TYR 22 -3.439 6.668 -8.111
171 H GLY 23 H GLY 23 -1.175 4.586 -0.968
172 HA2 GLY 23 2HA GLY 23 -1.768 6.771 -0.371
173 HA3 GLY 23 1HA GLY 23 -3.348 6.517 -1.094
174 H GLY 24 H GLY 24 -1.391 5.307 1.633
175 HA2 GLY 24 2HA GLY 24 -2.026 5.458 3.903
176 HA3 GLY 24 1HA GLY 24 -3.677 5.777 3.396
177 H GLY 25 H GLY 25 -4.048 3.616 1.646
178 HA2 GLY 25 2HA GLY 25 -3.928 1.203 1.657
179 HA3 GLY 25 1HA GLY 25 -3.661 1.273 3.393
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -9.890 -5.789 -7.287
2 H2 GLY 1 2HT GLY 1 -11.444 -6.284 -7.735
3 H3 GLY 1 3HT GLY 1 -10.317 -7.423 -7.192
4 HA2 GLY 1 1HA GLY 1 -11.498 -5.235 -5.569
5 HA3 GLY 1 2HA GLY 1 -11.940 -6.932 -5.469
6 H VAL 2 H VAL 2 -9.969 -4.518 -4.228
7 HA VAL 2 HA VAL 2 -7.773 -6.163 -3.387
8 HB VAL 2 HB VAL 2 -7.025 -4.261 -2.103
9 HG11 VAL 2 1HG1 VAL 2 -8.162 -3.397 -4.759
10 HG12 VAL 2 2HG1 VAL 2 -6.612 -4.197 -4.497
11 HG13 VAL 2 3HG1 VAL 2 -6.881 -2.570 -3.872
12 HG21 VAL 2 3HG2 VAL 2 -9.695 -3.006 -2.735
13 HG22 VAL 2 1HG2 VAL 2 -8.352 -2.212 -1.914
14 HG23 VAL 2 2HG2 VAL 2 -9.166 -3.581 -1.154
15 H VAL 3 H VAL 3 -7.462 -7.187 -1.473
16 HA VAL 3 HA VAL 3 -8.985 -6.692 0.863
17 HB VAL 3 HB VAL 3 -10.687 -7.853 -0.537
18 HG11 VAL 3 1HG1 VAL 3 -8.824 -10.203 -0.270
19 HG12 VAL 3 2HG1 VAL 3 -9.255 -9.366 -1.762
20 HG13 VAL 3 3HG1 VAL 3 -10.478 -10.277 -0.878
21 HG21 VAL 3 3HG2 VAL 3 -10.657 -7.885 1.971
22 HG22 VAL 3 1HG2 VAL 3 -9.913 -9.480 1.873
23 HG23 VAL 3 2HG2 VAL 3 -11.529 -9.219 1.218
24 H ARG 4 H ARG 4 -6.269 -7.024 0.055
25 HA ARG 4 HA ARG 4 -5.347 -8.656 2.168
26 HB2 ARG 4 2HB ARG 4 -3.991 -10.185 0.548
27 HB3 ARG 4 1HB ARG 4 -5.658 -10.589 0.935
28 HG2 ARG 4 2HG ARG 4 -6.393 -9.560 -1.161
29 HG3 ARG 4 1HG ARG 4 -4.714 -9.172 -1.551
30 HD2 ARG 4 2HD ARG 4 -5.452 -11.201 -2.701
31 HD3 ARG 4 1HD ARG 4 -4.154 -11.544 -1.559
32 HE ARG 4 HE ARG 4 -6.570 -11.954 -0.237
33 HH11 ARG 4 1HH1 ARG 4 -4.786 -13.326 -2.904
34 HH12 ARG 4 2HH1 ARG 4 -5.442 -14.914 -2.690
35 HH21 ARG 4 1HH2 ARG 4 -7.437 -14.040 0.044
36 HH22 ARG 4 2HH2 ARG 4 -6.948 -15.320 -1.016
37 H GLN 5 H GLN 5 -3.474 -7.831 2.842
38 HA GLN 5 HA GLN 5 -2.028 -6.039 1.032
39 HB2 GLN 5 2HB GLN 5 -1.021 -5.095 3.045
40 HB3 GLN 5 1HB GLN 5 -2.775 -5.087 3.164
41 HG2 GLN 5 2HG GLN 5 -2.688 -7.079 4.575
42 HG3 GLN 5 1HG GLN 5 -0.928 -7.083 4.455
43 HE21 GLN 5 1HE2 GLN 5 -0.667 -6.863 6.670
44 HE22 GLN 5 2HE2 GLN 5 -0.994 -5.381 7.497
45 H TRP 6 H TRP 6 0.378 -5.966 1.317
46 HA TRP 6 HA TRP 6 1.603 -8.482 2.108
47 HB2 TRP 6 2HB TRP 6 2.641 -8.912 -0.018
48 HB3 TRP 6 1HB TRP 6 0.916 -8.725 -0.297
49 HD1 TRP 6 HD TRP 6 0.522 -5.726 -0.663
50 HE1 TRP 6 1HE TRP 6 1.607 -4.431 -2.603
51 HE3 TRP 6 3HE TRP 6 4.342 -8.943 -1.740
52 HZ2 TRP 6 2HZ TRP 6 3.803 -4.732 -4.354
53 HZ3 TRP 6 3HZ TRP 6 5.893 -8.364 -3.562
54 HH2 TRP 6 HH TRP 6 5.624 -6.303 -4.841
55 H SER 7 H SER 7 4.119 -7.972 0.891
56 HA SER 7 HA SER 7 5.009 -5.774 2.594
57 HB2 SER 7 2HB SER 7 6.590 -7.932 1.177
58 HB3 SER 7 1HB SER 7 7.269 -6.723 2.268
59 HG SER 7 HG SER 7 6.906 -8.508 3.497
60 H GLY 8 H GLY 8 3.703 -4.827 0.394
61 HA2 GLY 8 2HA GLY 8 5.886 -3.932 -1.383
62 HA3 GLY 8 1HA GLY 8 4.206 -4.057 -1.876
63 H TYR 9 H TYR 9 5.128 -2.758 1.227
64 HA TYR 9 HA TYR 9 3.943 -0.207 0.467
65 HB2 TYR 9 2HB TYR 9 3.175 -1.175 2.554
66 HB3 TYR 9 1HB TYR 9 4.828 -1.287 3.151
67 HD1 TYR 9 2HD TYR 9 2.256 1.179 2.060
68 HD2 TYR 9 1HD TYR 9 5.752 0.467 4.380
69 HE1 TYR 9 2HE TYR 9 2.047 3.418 3.055
70 HE2 TYR 9 1HE TYR 9 5.554 2.705 5.378
71 HH TYR 9 HH TYR 9 4.532 4.878 4.841
72 H ASP 10 H ASP 10 5.140 1.439 -0.172
73 HA ASP 10 HA ASP 10 8.011 1.414 0.412
74 HB2 ASP 10 2HB ASP 10 6.406 2.906 -1.668
75 HB3 ASP 10 1HB ASP 10 8.137 3.120 -1.420
76 HA PRO 11 HA PRO 11 6.571 4.553 3.456
77 HB2 PRO 11 2HB PRO 11 8.953 4.412 4.868
78 HB3 PRO 11 1HB PRO 11 7.520 3.422 5.200
79 HG2 PRO 11 2HG PRO 11 9.988 2.723 3.709
80 HG3 PRO 11 1HG PRO 11 9.001 1.732 4.802
81 HD2 PRO 11 2HD PRO 11 8.871 1.457 2.132
82 HD3 PRO 11 1HD PRO 11 7.451 1.232 3.173
83 H ARG 12 H ARG 12 9.316 4.319 1.359
84 HA ARG 12 HA ARG 12 10.626 6.724 1.883
85 HB2 ARG 12 2HB ARG 12 10.250 5.502 -0.854
86 HB3 ARG 12 1HB ARG 12 11.557 6.553 -0.331
87 HG2 ARG 12 2HG ARG 12 12.315 4.801 1.222
88 HG3 ARG 12 1HG ARG 12 11.037 3.745 0.617
89 HD2 ARG 12 2HD ARG 12 12.030 4.100 -1.688
90 HD3 ARG 12 1HD ARG 12 13.412 4.832 -0.875
91 HE ARG 12 HE ARG 12 12.728 2.222 0.112
92 HH11 ARG 12 2HH1 ARG 12 14.533 3.988 -2.295
93 HH12 ARG 12 1HH1 ARG 12 15.669 2.709 -2.563
94 HH21 ARG 12 1HH2 ARG 12 14.224 0.537 -0.235
95 HH22 ARG 12 2HH2 ARG 12 15.495 0.751 -1.394
96 H THR 13 H THR 13 7.848 6.021 -0.180
97 HA THR 13 HA THR 13 7.407 8.917 -0.456
98 HB THR 13 HB THR 13 6.412 8.585 -2.596
99 HG1 THR 13 1HG THR 13 6.604 5.804 -1.999
100 HG21 THR 13 3HG2 THR 13 8.854 8.591 -2.626
101 HG22 THR 13 1HG2 THR 13 8.225 7.525 -3.881
102 HG23 THR 13 2HG2 THR 13 8.875 6.842 -2.390
103 H GLY 14 H GLY 14 6.438 6.659 1.444
104 HA2 GLY 14 2HA GLY 14 4.492 6.048 2.515
105 HA3 GLY 14 1HA GLY 14 4.068 7.735 2.274
106 H THR 15 H THR 15 4.405 5.047 -0.039
107 HA THR 15 HA THR 15 1.551 4.963 -0.477
108 HB THR 15 HB THR 15 1.727 5.424 -2.916
109 HG1 THR 15 1HG THR 15 4.367 6.149 -2.156
110 HG21 THR 15 3HG2 THR 15 2.599 7.726 -1.165
111 HG22 THR 15 1HG2 THR 15 0.943 7.146 -1.333
112 HG23 THR 15 2HG2 THR 15 1.776 7.847 -2.721
113 H TRP 16 H TRP 16 0.891 3.225 -1.847
114 HA TRP 16 HA TRP 16 2.746 0.997 -1.757
115 HB2 TRP 16 2HB TRP 16 -0.177 1.171 -2.509
116 HB3 TRP 16 1HB TRP 16 0.746 -0.330 -2.473
117 HD1 TRP 16 HD TRP 16 -0.425 2.462 -0.065
118 HE1 TRP 16 1HE TRP 16 -0.659 1.445 2.286
119 HE3 TRP 16 3HE TRP 16 1.357 -2.231 -1.031
120 HZ2 TRP 16 2HZ TRP 16 -0.156 -1.019 3.564
121 HZ3 TRP 16 3HZ TRP 16 1.447 -3.859 0.814
122 HH2 TRP 16 HH TRP 16 0.707 -3.263 3.062
123 H ARG 17 H ARG 17 3.135 -0.385 -3.594
124 HA ARG 17 HA ARG 17 3.208 1.140 -6.102
125 HB2 ARG 17 2HB ARG 17 4.987 -0.534 -6.750
126 HB3 ARG 17 1HB ARG 17 5.407 0.559 -5.438
127 HG2 ARG 17 2HG ARG 17 4.925 -1.194 -3.812
128 HG3 ARG 17 1HG ARG 17 4.485 -2.292 -5.122
129 HD2 ARG 17 2HD ARG 17 6.746 -2.155 -6.014
130 HD3 ARG 17 1HD ARG 17 7.191 -1.012 -4.747
131 HE ARG 17 HE ARG 17 6.221 -3.324 -3.522
132 HH11 ARG 17 2HH1 ARG 17 8.929 -2.332 -5.486
133 HH12 ARG 17 1HH1 ARG 17 10.004 -3.516 -4.824
134 HH21 ARG 17 2HH2 ARG 17 7.633 -4.882 -2.649
135 HH22 ARG 17 1HH2 ARG 17 9.269 -4.965 -3.214
136 H SER 18 H SER 18 2.441 -2.035 -4.769
137 HA SER 18 HA SER 18 1.680 -3.247 -7.200
138 HB2 SER 18 2HB SER 18 0.455 -4.867 -5.713
139 HB3 SER 18 1HB SER 18 2.153 -4.641 -5.303
140 HG SER 18 HG SER 18 0.000 -4.232 -3.776
141 H SER 19 H SER 19 -0.716 -4.199 -7.249
142 HA SER 19 HA SER 19 -2.385 -1.987 -7.879
143 HB2 SER 19 2HB SER 19 -2.515 -4.089 -9.130
144 HB3 SER 19 1HB SER 19 -3.056 -4.932 -7.679
145 HG SER 19 HG SER 19 -4.493 -3.493 -9.448
146 H ILE 20 H ILE 20 -1.747 -3.565 -4.957
147 HA ILE 20 HA ILE 20 -4.246 -3.546 -3.695
148 HB ILE 20 HB ILE 20 -1.523 -3.126 -2.452
149 HG12 ILE 20 2HG1 ILE 20 -1.691 -5.218 -3.729
150 HG13 ILE 20 1HG1 ILE 20 -1.598 -5.538 -2.000
151 HG21 ILE 20 1HG2 ILE 20 -3.221 -2.431 -0.908
152 HG22 ILE 20 2HG2 ILE 20 -2.619 -4.008 -0.398
153 HG23 ILE 20 3HG2 ILE 20 -4.171 -3.883 -1.225
154 HD11 ILE 20 3HD1 ILE 20 -4.080 -5.600 -3.700
155 HD12 ILE 20 1HD1 ILE 20 -4.033 -5.859 -1.955
156 HD13 ILE 20 2HD1 ILE 20 -3.217 -6.989 -3.038
157 H ALA 21 H ALA 21 -5.040 -2.060 -2.052
158 HA ALA 21 HA ALA 21 -5.388 0.523 -2.903
159 HB1 ALA 21 1HB ALA 21 -5.414 -0.385 -0.028
160 HB2 ALA 21 2HB ALA 21 -6.748 -0.567 -1.167
161 HB3 ALA 21 3HB ALA 21 -6.212 1.043 -0.686
162 H TYR 22 H TYR 22 -4.132 2.251 -3.044
163 HA TYR 22 HA TYR 22 -1.549 2.235 -1.685
164 HB2 TYR 22 2HB TYR 22 -0.915 4.008 -3.226
165 HB3 TYR 22 1HB TYR 22 -1.598 2.652 -4.118
166 HD1 TYR 22 1HD TYR 22 -3.991 2.824 -4.929
167 HD2 TYR 22 2HD TYR 22 -1.844 6.163 -3.397
168 HE1 TYR 22 1HE TYR 22 -5.592 4.344 -6.013
169 HE2 TYR 22 2HE TYR 22 -3.441 7.691 -4.474
170 HH TYR 22 HH TYR 22 -6.404 6.649 -5.760
171 H GLY 23 H GLY 23 -0.726 4.291 -0.798
172 HA2 GLY 23 2HA GLY 23 -0.881 6.062 0.658
173 HA3 GLY 23 1HA GLY 23 -2.441 6.414 -0.073
174 H GLY 24 H GLY 24 -0.871 4.259 2.278
175 HA2 GLY 24 2HA GLY 24 -1.681 4.136 4.537
176 HA3 GLY 24 1HA GLY 24 -3.293 4.492 3.936
177 H GLY 25 H GLY 25 -3.489 2.673 1.852
178 HA2 GLY 25 2HA GLY 25 -3.356 0.325 1.406
179 HA3 GLY 25 1HA GLY 25 -3.033 0.055 3.111
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -14.001 -8.984 0.199
2 H2 GLY 1 2HT GLY 1 -12.467 -9.204 0.877
3 H3 GLY 1 3HT GLY 1 -12.671 -9.297 -0.800
4 HA2 GLY 1 1HA GLY 1 -13.282 -6.960 -0.888
5 HA3 GLY 1 2HA GLY 1 -13.067 -6.862 0.853
6 H VAL 2 H VAL 2 -11.642 -5.073 -0.280
7 HA VAL 2 HA VAL 2 -9.090 -5.992 -1.236
8 HB VAL 2 HB VAL 2 -10.039 -3.877 -2.043
9 HG11 VAL 2 1HG1 VAL 2 -11.162 -3.166 0.003
10 HG12 VAL 2 2HG1 VAL 2 -10.094 -1.902 -0.604
11 HG13 VAL 2 3HG1 VAL 2 -9.601 -2.888 0.773
12 HG21 VAL 2 3HG2 VAL 2 -7.468 -3.534 -0.502
13 HG22 VAL 2 1HG2 VAL 2 -8.022 -2.498 -1.818
14 HG23 VAL 2 2HG2 VAL 2 -7.630 -4.190 -2.132
15 H VAL 3 H VAL 3 -7.304 -6.392 -0.092
16 HA VAL 3 HA VAL 3 -6.907 -5.213 2.528
17 HB VAL 3 HB VAL 3 -6.506 -7.371 3.644
18 HG11 VAL 3 1HG1 VAL 3 -9.278 -7.113 2.480
19 HG12 VAL 3 2HG1 VAL 3 -8.665 -6.252 3.892
20 HG13 VAL 3 3HG1 VAL 3 -8.845 -8.006 3.939
21 HG21 VAL 3 3HG2 VAL 3 -6.004 -8.728 1.686
22 HG22 VAL 3 1HG2 VAL 3 -7.669 -8.570 1.129
23 HG23 VAL 3 2HG2 VAL 3 -7.317 -9.448 2.617
24 H ARG 4 H ARG 4 -4.749 -5.735 3.416
25 HA ARG 4 HA ARG 4 -2.727 -5.345 1.536
26 HB2 ARG 4 2HB ARG 4 -2.495 -6.438 4.346
27 HB3 ARG 4 1HB ARG 4 -1.162 -5.811 3.387
28 HG2 ARG 4 2HG ARG 4 -2.221 -3.609 3.352
29 HG3 ARG 4 1HG ARG 4 -3.557 -4.240 4.317
30 HD2 ARG 4 2HD ARG 4 -1.951 -3.045 5.711
31 HD3 ARG 4 1HD ARG 4 -2.013 -4.756 6.133
32 HE ARG 4 HE ARG 4 0.036 -4.360 4.259
33 HH11 ARG 4 1HH1 ARG 4 -0.727 -3.603 7.579
34 HH12 ARG 4 2HH1 ARG 4 0.931 -3.558 8.080
35 HH21 ARG 4 1HH2 ARG 4 2.215 -4.301 4.916
36 HH22 ARG 4 2HH2 ARG 4 2.601 -3.955 6.569
37 H GLN 5 H GLN 5 -2.007 -6.705 0.051
38 HA GLN 5 HA GLN 5 -2.254 -9.578 0.457
39 HB2 GLN 5 2HB GLN 5 -3.027 -8.742 -1.669
40 HB3 GLN 5 1HB GLN 5 -1.493 -7.935 -1.958
41 HG2 GLN 5 2HG GLN 5 -0.369 -10.089 -2.100
42 HG3 GLN 5 1HG GLN 5 -1.897 -10.912 -1.783
43 HE21 GLN 5 1HE2 GLN 5 -0.111 -11.087 -4.087
44 HE22 GLN 5 2HE2 GLN 5 -1.066 -10.670 -5.464
45 H TRP 6 H TRP 6 0.150 -7.100 0.457
46 HA TRP 6 HA TRP 6 2.143 -8.927 1.401
47 HB2 TRP 6 2HB TRP 6 3.752 -8.645 -0.395
48 HB3 TRP 6 1HB TRP 6 2.252 -9.265 -1.069
49 HD1 TRP 6 HD TRP 6 0.610 -6.656 -1.465
50 HE1 TRP 6 1HE TRP 6 1.328 -4.902 -3.208
51 HE3 TRP 6 3HE TRP 6 5.543 -7.919 -1.896
52 HZ2 TRP 6 2HZ TRP 6 3.680 -4.153 -4.582
53 HZ3 TRP 6 3HZ TRP 6 6.960 -6.633 -3.444
54 HH2 TRP 6 HH TRP 6 6.046 -4.790 -4.759
55 H SER 7 H SER 7 4.407 -7.322 0.884
56 HA SER 7 HA SER 7 3.807 -5.060 2.630
57 HB2 SER 7 2HB SER 7 5.611 -6.557 3.334
58 HB3 SER 7 1HB SER 7 6.461 -6.269 1.816
59 HG SER 7 HG SER 7 5.772 -4.173 3.587
60 H GLY 8 H GLY 8 3.156 -5.049 -0.250
61 HA2 GLY 8 2HA GLY 8 4.933 -3.619 -1.822
62 HA3 GLY 8 1HA GLY 8 3.186 -3.521 -1.961
63 H TYR 9 H TYR 9 2.983 -2.502 0.830
64 HA TYR 9 HA TYR 9 2.844 0.218 0.305
65 HB2 TYR 9 2HB TYR 9 1.654 -0.814 2.167
66 HB3 TYR 9 1HB TYR 9 3.178 -1.176 2.970
67 HD1 TYR 9 1HD TYR 9 1.261 1.738 1.629
68 HD2 TYR 9 2HD TYR 9 3.945 0.285 4.592
69 HE1 TYR 9 1HE TYR 9 1.161 3.910 2.777
70 HE2 TYR 9 2HE TYR 9 3.852 2.453 5.748
71 HH TYR 9 HH TYR 9 1.533 4.820 5.035
72 H ASP 10 H ASP 10 4.351 1.701 0.003
73 HA ASP 10 HA ASP 10 7.063 1.195 1.002
74 HB2 ASP 10 2HB ASP 10 6.829 1.552 -1.426
75 HB3 ASP 10 1HB ASP 10 6.125 3.136 -1.120
76 HA PRO 11 HA PRO 11 5.914 4.383 4.015
77 HB2 PRO 11 2HB PRO 11 8.500 3.729 5.229
78 HB3 PRO 11 1HB PRO 11 6.872 3.553 5.905
79 HG2 PRO 11 2HG PRO 11 8.402 1.450 5.217
80 HG3 PRO 11 1HG PRO 11 6.630 1.427 5.147
81 HD2 PRO 11 2HD PRO 11 8.602 1.725 2.933
82 HD3 PRO 11 1HD PRO 11 7.052 0.859 2.961
83 H ARG 12 H ARG 12 9.092 3.936 2.531
84 HA ARG 12 HA ARG 12 10.245 6.387 3.100
85 HB2 ARG 12 2HB ARG 12 10.533 4.505 0.780
86 HB3 ARG 12 1HB ARG 12 11.411 6.027 0.809
87 HG2 ARG 12 2HG ARG 12 12.847 4.315 1.636
88 HG3 ARG 12 1HG ARG 12 12.395 5.354 2.987
89 HD2 ARG 12 2HD ARG 12 12.307 3.032 3.659
90 HD3 ARG 12 1HD ARG 12 10.684 3.717 3.649
91 HE ARG 12 HE ARG 12 10.867 2.599 1.205
92 HH11 ARG 12 2HH1 ARG 12 11.526 1.374 4.406
93 HH12 ARG 12 1HH1 ARG 12 11.122 -0.260 3.999
94 HH21 ARG 12 1HH2 ARG 12 10.334 0.451 0.670
95 HH22 ARG 12 2HH2 ARG 12 10.445 -0.784 1.879
96 H THR 13 H THR 13 7.694 5.632 0.864
97 HA THR 13 HA THR 13 7.552 8.476 0.164
98 HB THR 13 HB THR 13 6.908 7.937 -2.139
99 HG1 THR 13 1HG THR 13 6.590 5.922 -2.757
100 HG21 THR 13 3HG2 THR 13 9.537 6.696 -1.319
101 HG22 THR 13 1HG2 THR 13 9.259 8.401 -1.676
102 HG23 THR 13 2HG2 THR 13 9.105 7.197 -2.955
103 H GLY 14 H GLY 14 6.093 6.411 1.921
104 HA2 GLY 14 2HA GLY 14 3.926 5.819 2.467
105 HA3 GLY 14 1HA GLY 14 3.645 7.522 2.149
106 H THR 15 H THR 15 4.278 4.702 0.046
107 HA THR 15 HA THR 15 1.621 4.894 -1.083
108 HB THR 15 HB THR 15 2.487 5.088 -3.430
109 HG1 THR 15 1HG THR 15 4.580 5.820 -3.730
110 HG21 THR 15 3HG2 THR 15 2.757 7.526 -3.362
111 HG22 THR 15 1HG2 THR 15 2.995 7.448 -1.617
112 HG23 THR 15 2HG2 THR 15 1.442 6.993 -2.316
113 H TRP 16 H TRP 16 1.064 3.116 -2.421
114 HA TRP 16 HA TRP 16 2.598 0.726 -1.802
115 HB2 TRP 16 2HB TRP 16 -0.136 1.224 -2.954
116 HB3 TRP 16 1HB TRP 16 0.593 -0.378 -2.999
117 HD1 TRP 16 HD TRP 16 -0.426 2.294 -0.384
118 HE1 TRP 16 1HE TRP 16 -1.059 1.073 1.790
119 HE3 TRP 16 3HE TRP 16 0.728 -2.488 -1.773
120 HZ2 TRP 16 2HZ TRP 16 -1.069 -1.570 2.785
121 HZ3 TRP 16 3HZ TRP 16 0.378 -4.304 -0.151
122 HH2 TRP 16 HH TRP 16 -0.502 -3.852 2.082
123 H ARG 17 H ARG 17 2.353 -0.981 -3.758
124 HA ARG 17 HA ARG 17 3.443 0.342 -6.155
125 HB2 ARG 17 2HB ARG 17 4.318 -2.312 -5.001
126 HB3 ARG 17 1HB ARG 17 4.965 -1.547 -6.448
127 HG2 ARG 17 2HG ARG 17 5.802 0.308 -5.087
128 HG3 ARG 17 1HG ARG 17 5.166 -0.476 -3.640
129 HD2 ARG 17 2HD ARG 17 6.621 -2.402 -4.048
130 HD3 ARG 17 1HD ARG 17 7.257 -1.614 -5.491
131 HE ARG 17 HE ARG 17 7.627 0.119 -3.339
132 HH11 ARG 17 2HH1 ARG 17 8.760 -3.000 -4.420
133 HH12 ARG 17 1HH1 ARG 17 10.296 -2.853 -3.633
134 HH21 ARG 17 2HH2 ARG 17 9.645 0.312 -2.303
135 HH22 ARG 17 1HH2 ARG 17 10.799 -0.973 -2.432
136 H SER 18 H SER 18 2.286 -2.866 -5.129
137 HA SER 18 HA SER 18 1.405 -3.693 -7.648
138 HB2 SER 18 2HB SER 18 0.411 -4.543 -4.919
139 HB3 SER 18 1HB SER 18 0.111 -5.409 -6.424
140 HG SER 18 HG SER 18 2.394 -5.654 -6.619
141 H SER 19 H SER 19 -1.149 -4.500 -7.579
142 HA SER 19 HA SER 19 -2.585 -2.123 -8.178
143 HB2 SER 19 2HB SER 19 -4.474 -3.643 -8.646
144 HB3 SER 19 1HB SER 19 -2.985 -4.195 -9.411
145 HG SER 19 HG SER 19 -2.746 -5.704 -7.744
146 H ILE 20 H ILE 20 -1.994 -3.643 -5.237
147 HA ILE 20 HA ILE 20 -4.454 -3.412 -3.915
148 HB ILE 20 HB ILE 20 -1.622 -3.319 -2.882
149 HG12 ILE 20 2HG1 ILE 20 -2.236 -5.542 -1.964
150 HG13 ILE 20 1HG1 ILE 20 -3.818 -5.395 -2.717
151 HG21 ILE 20 1HG2 ILE 20 -2.921 -2.015 -1.327
152 HG22 ILE 20 2HG2 ILE 20 -2.574 -3.588 -0.610
153 HG23 ILE 20 3HG2 ILE 20 -4.173 -3.257 -1.275
154 HD11 ILE 20 3HD1 ILE 20 -2.852 -5.467 -4.900
155 HD12 ILE 20 1HD1 ILE 20 -2.220 -6.818 -3.960
156 HD13 ILE 20 2HD1 ILE 20 -1.222 -5.389 -4.233
157 H ALA 21 H ALA 21 -5.142 -1.803 -2.361
158 HA ALA 21 HA ALA 21 -5.324 0.755 -3.313
159 HB1 ALA 21 1HB ALA 21 -6.735 -0.147 -1.526
160 HB2 ALA 21 2HB ALA 21 -6.064 1.427 -1.100
161 HB3 ALA 21 3HB ALA 21 -5.377 -0.042 -0.406
162 H TYR 22 H TYR 22 -4.045 2.483 -3.424
163 HA TYR 22 HA TYR 22 -1.435 2.351 -2.099
164 HB2 TYR 22 2HB TYR 22 -0.686 3.986 -3.740
165 HB3 TYR 22 1HB TYR 22 -1.439 2.617 -4.553
166 HD1 TYR 22 1HD TYR 22 -3.784 2.867 -5.433
167 HD2 TYR 22 2HD TYR 22 -1.519 6.177 -4.016
168 HE1 TYR 22 1HE TYR 22 -5.295 4.402 -6.621
169 HE2 TYR 22 2HE TYR 22 -3.024 7.722 -5.196
170 HH TYR 22 HH TYR 22 -6.006 6.748 -6.498
171 H GLY 23 H GLY 23 -0.513 4.357 -1.255
172 HA2 GLY 23 2HA GLY 23 -0.653 6.449 -0.220
173 HA3 GLY 23 1HA GLY 23 -2.378 6.475 -0.557
174 H GLY 24 H GLY 24 -3.427 4.373 0.646
175 HA2 GLY 24 2HA GLY 24 -2.399 4.321 3.400
176 HA3 GLY 24 1HA GLY 24 -4.062 4.817 3.120
177 H GLY 25 H GLY 25 -1.897 2.182 3.448
178 HA2 GLY 25 2HA GLY 25 -4.173 0.341 3.337
179 HA3 GLY 25 1HA GLY 25 -2.785 -0.013 2.320
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -14.757 -2.482 0.164
2 H2 GLY 1 2HT GLY 1 -15.310 -3.827 1.028
3 H3 GLY 1 3HT GLY 1 -16.153 -3.296 -0.339
4 HA2 GLY 1 1HA GLY 1 -14.871 -5.264 -0.865
5 HA3 GLY 1 2HA GLY 1 -14.298 -3.867 -1.763
6 H VAL 2 H VAL 2 -13.313 -6.484 -0.056
7 HA VAL 2 HA VAL 2 -10.885 -5.189 0.970
8 HB VAL 2 HB VAL 2 -10.474 -7.283 2.193
9 HG11 VAL 2 1HG1 VAL 2 -11.720 -5.506 3.285
10 HG12 VAL 2 2HG1 VAL 2 -12.320 -7.082 3.799
11 HG13 VAL 2 3HG1 VAL 2 -13.230 -6.133 2.623
12 HG21 VAL 2 3HG2 VAL 2 -13.126 -8.160 1.049
13 HG22 VAL 2 1HG2 VAL 2 -12.197 -9.022 2.275
14 HG23 VAL 2 2HG2 VAL 2 -11.547 -8.835 0.646
15 H VAL 3 H VAL 3 -8.846 -6.476 0.722
16 HA VAL 3 HA VAL 3 -8.724 -8.184 -1.627
17 HB VAL 3 HB VAL 3 -7.018 -6.876 -2.760
18 HG11 VAL 3 1HG1 VAL 3 -8.394 -5.001 -3.520
19 HG12 VAL 3 2HG1 VAL 3 -9.464 -5.226 -2.137
20 HG13 VAL 3 3HG1 VAL 3 -9.342 -6.480 -3.371
21 HG21 VAL 3 3HG2 VAL 3 -6.466 -4.597 -2.033
22 HG22 VAL 3 1HG2 VAL 3 -6.001 -5.800 -0.830
23 HG23 VAL 3 2HG2 VAL 3 -7.452 -4.825 -0.588
24 H ARG 4 H ARG 4 -6.131 -8.502 -2.035
25 HA ARG 4 HA ARG 4 -5.213 -9.670 0.458
26 HB2 ARG 4 2HB ARG 4 -3.500 -10.748 -0.924
27 HB3 ARG 4 1HB ARG 4 -5.109 -11.006 -1.585
28 HG2 ARG 4 2HG ARG 4 -4.718 -9.252 -3.235
29 HG3 ARG 4 1HG ARG 4 -3.104 -8.987 -2.571
30 HD2 ARG 4 2HD ARG 4 -4.109 -11.549 -3.805
31 HD3 ARG 4 1HD ARG 4 -3.034 -10.385 -4.578
32 HE ARG 4 HE ARG 4 -1.893 -11.191 -2.147
33 HH11 ARG 4 1HH1 ARG 4 -2.635 -12.485 -5.302
34 HH12 ARG 4 2HH1 ARG 4 -1.341 -13.634 -5.274
35 HH21 ARG 4 1HH2 ARG 4 -0.190 -12.701 -2.106
36 HH22 ARG 4 2HH2 ARG 4 0.048 -13.758 -3.459
37 H GLN 5 H GLN 5 -3.723 -8.804 1.747
38 HA GLN 5 HA GLN 5 -2.300 -6.419 0.811
39 HB2 GLN 5 2HB GLN 5 -1.926 -5.896 3.152
40 HB3 GLN 5 1HB GLN 5 -3.633 -6.204 2.877
41 HG2 GLN 5 2HG GLN 5 -1.884 -8.428 3.807
42 HG3 GLN 5 1HG GLN 5 -2.410 -7.200 4.955
43 HE21 GLN 5 1HE2 GLN 5 -3.637 -8.675 6.116
44 HE22 GLN 5 2HE2 GLN 5 -5.132 -9.305 5.520
45 H TRP 6 H TRP 6 -0.053 -6.126 1.690
46 HA TRP 6 HA TRP 6 1.496 -8.375 2.444
47 HB2 TRP 6 2HB TRP 6 2.736 -8.788 0.423
48 HB3 TRP 6 1HB TRP 6 1.024 -8.935 0.047
49 HD1 TRP 6 HD TRP 6 0.258 -5.949 -0.481
50 HE1 TRP 6 1HE TRP 6 1.187 -4.710 -2.537
51 HE3 TRP 6 3HE TRP 6 4.355 -8.863 -1.399
52 HZ2 TRP 6 2HZ TRP 6 3.372 -4.938 -4.314
53 HZ3 TRP 6 3HZ TRP 6 5.814 -8.285 -3.295
54 HH2 TRP 6 HH TRP 6 5.331 -6.363 -4.722
55 H SER 7 H SER 7 3.983 -7.625 1.427
56 HA SER 7 HA SER 7 4.413 -5.157 2.911
57 HB2 SER 7 2HB SER 7 6.807 -5.757 2.768
58 HB3 SER 7 1HB SER 7 5.842 -7.073 3.437
59 HG SER 7 HG SER 7 7.071 -8.044 1.932
60 H GLY 8 H GLY 8 3.103 -4.713 0.504
61 HA2 GLY 8 2HA GLY 8 5.161 -3.775 -1.361
62 HA3 GLY 8 1HA GLY 8 3.440 -3.896 -1.699
63 H TYR 9 H TYR 9 4.673 -2.436 1.225
64 HA TYR 9 HA TYR 9 3.551 0.125 0.347
65 HB2 TYR 9 2HB TYR 9 2.652 -0.726 2.437
66 HB3 TYR 9 1HB TYR 9 4.273 -0.886 3.105
67 HD1 TYR 9 1HD TYR 9 2.020 1.715 1.646
68 HD2 TYR 9 2HD TYR 9 5.072 0.805 4.467
69 HE1 TYR 9 1HE TYR 9 1.866 4.001 2.542
70 HE2 TYR 9 2HE TYR 9 4.927 3.087 5.370
71 HH TYR 9 HH TYR 9 2.381 5.202 4.622
72 H ASP 10 H ASP 10 4.756 1.921 0.105
73 HA ASP 10 HA ASP 10 7.632 1.706 0.707
74 HB2 ASP 10 2HB ASP 10 7.156 1.772 -1.709
75 HB3 ASP 10 1HB ASP 10 6.296 3.295 -1.495
76 HA PRO 11 HA PRO 11 6.180 5.068 3.461
77 HB2 PRO 11 2HB PRO 11 8.320 4.859 5.159
78 HB3 PRO 11 1HB PRO 11 6.862 3.858 5.296
79 HG2 PRO 11 2HG PRO 11 9.501 3.185 4.101
80 HG3 PRO 11 1HG PRO 11 8.424 2.193 5.105
81 HD2 PRO 11 2HD PRO 11 8.567 1.906 2.424
82 HD3 PRO 11 1HD PRO 11 7.070 1.626 3.337
83 H ARG 12 H ARG 12 9.164 4.545 1.754
84 HA ARG 12 HA ARG 12 10.488 6.944 2.326
85 HB2 ARG 12 2HB ARG 12 10.554 5.294 -0.207
86 HB3 ARG 12 1HB ARG 12 11.711 6.551 0.214
87 HG2 ARG 12 2HG ARG 12 12.384 5.257 2.183
88 HG3 ARG 12 1HG ARG 12 11.245 3.989 1.728
89 HD2 ARG 12 2HD ARG 12 13.595 4.935 0.089
90 HD3 ARG 12 1HD ARG 12 13.523 3.441 1.025
91 HE ARG 12 HE ARG 12 11.372 3.470 -0.766
92 HH11 ARG 12 2HH1 ARG 12 14.857 3.265 -0.812
93 HH12 ARG 12 1HH1 ARG 12 14.909 2.344 -2.277
94 HH21 ARG 12 1HH2 ARG 12 11.440 2.258 -2.695
95 HH22 ARG 12 2HH2 ARG 12 12.968 1.772 -3.346
96 H THR 13 H THR 13 7.866 6.212 0.133
97 HA THR 13 HA THR 13 7.670 9.074 -0.482
98 HB THR 13 HB THR 13 7.020 8.597 -2.791
99 HG1 THR 13 1HG THR 13 7.456 6.367 -3.524
100 HG21 THR 13 3HG2 THR 13 9.384 9.034 -2.320
101 HG22 THR 13 1HG2 THR 13 9.203 7.897 -3.656
102 HG23 THR 13 2HG2 THR 13 9.653 7.311 -2.054
103 H GLY 14 H GLY 14 6.270 7.009 1.282
104 HA2 GLY 14 2HA GLY 14 4.127 6.428 1.898
105 HA3 GLY 14 1HA GLY 14 3.769 8.081 1.429
106 H THR 15 H THR 15 4.422 4.985 -0.236
107 HA THR 15 HA THR 15 1.835 5.119 -1.533
108 HB THR 15 HB THR 15 2.832 4.863 -3.822
109 HG1 THR 15 1HG THR 15 4.970 5.346 -4.119
110 HG21 THR 15 3HG2 THR 15 1.851 6.981 -3.113
111 HG22 THR 15 1HG2 THR 15 3.255 7.262 -4.142
112 HG23 THR 15 2HG2 THR 15 3.387 7.465 -2.396
113 H TRP 16 H TRP 16 1.365 3.185 -2.810
114 HA TRP 16 HA TRP 16 2.777 0.853 -1.724
115 HB2 TRP 16 2HB TRP 16 -0.032 1.330 -2.647
116 HB3 TRP 16 1HB TRP 16 0.622 -0.305 -2.691
117 HD1 TRP 16 HD TRP 16 -0.017 2.535 -0.138
118 HE1 TRP 16 1HE TRP 16 -0.419 1.459 2.165
119 HE3 TRP 16 3HE TRP 16 0.881 -2.348 -1.355
120 HZ2 TRP 16 2HZ TRP 16 -0.362 -1.118 3.314
121 HZ3 TRP 16 3HZ TRP 16 0.686 -4.057 0.404
122 HH2 TRP 16 HH TRP 16 0.077 -3.453 2.690
123 H ARG 17 H ARG 17 3.112 -1.002 -3.119
124 HA ARG 17 HA ARG 17 3.996 -0.169 -5.759
125 HB2 ARG 17 2HB ARG 17 4.399 -2.695 -4.163
126 HB3 ARG 17 1HB ARG 17 4.967 -2.508 -5.816
127 HG2 ARG 17 2HG ARG 17 5.783 -0.778 -3.491
128 HG3 ARG 17 1HG ARG 17 6.732 -2.100 -4.171
129 HD2 ARG 17 2HD ARG 17 6.764 -0.927 -6.336
130 HD3 ARG 17 1HD ARG 17 5.883 0.411 -5.605
131 HE ARG 17 HE ARG 17 8.676 -0.302 -5.158
132 HH11 ARG 17 2HH1 ARG 17 5.972 1.760 -4.345
133 HH12 ARG 17 1HH1 ARG 17 6.964 2.970 -3.604
134 HH21 ARG 17 2HH2 ARG 17 9.971 1.292 -4.188
135 HH22 ARG 17 1HH2 ARG 17 9.231 2.704 -3.514
136 H SER 18 H SER 18 2.490 -3.196 -4.689
137 HA SER 18 HA SER 18 1.413 -3.931 -7.124
138 HB2 SER 18 2HB SER 18 1.536 -5.458 -5.215
139 HB3 SER 18 1HB SER 18 0.312 -4.516 -4.364
140 HG SER 18 HG SER 18 -0.041 -5.912 -6.811
141 H SER 19 H SER 19 -1.162 -4.306 -7.222
142 HA SER 19 HA SER 19 -2.233 -1.690 -7.675
143 HB2 SER 19 2HB SER 19 -4.228 -2.900 -8.495
144 HB3 SER 19 1HB SER 19 -2.740 -3.514 -9.216
145 HG SER 19 HG SER 19 -3.228 -5.382 -8.420
146 H ILE 20 H ILE 20 -2.022 -3.524 -4.911
147 HA ILE 20 HA ILE 20 -4.535 -3.331 -3.723
148 HB ILE 20 HB ILE 20 -1.870 -3.100 -2.316
149 HG12 ILE 20 2HG1 ILE 20 -1.883 -5.082 -3.717
150 HG13 ILE 20 1HG1 ILE 20 -2.067 -5.562 -2.032
151 HG21 ILE 20 1HG2 ILE 20 -3.130 -4.154 -0.433
152 HG22 ILE 20 2HG2 ILE 20 -4.612 -3.894 -1.355
153 HG23 ILE 20 3HG2 ILE 20 -3.643 -2.515 -0.831
154 HD11 ILE 20 3HD1 ILE 20 -4.470 -5.831 -2.378
155 HD12 ILE 20 1HD1 ILE 20 -3.530 -6.849 -3.470
156 HD13 ILE 20 2HD1 ILE 20 -4.274 -5.365 -4.067
157 H ALA 21 H ALA 21 -5.233 -1.860 -1.993
158 HA ALA 21 HA ALA 21 -5.465 0.751 -2.737
159 HB1 ALA 21 1HB ALA 21 -6.143 1.258 -0.463
160 HB2 ALA 21 2HB ALA 21 -5.403 -0.236 0.112
161 HB3 ALA 21 3HB ALA 21 -6.797 -0.301 -0.966
162 H TYR 22 H TYR 22 -4.156 2.435 -2.882
163 HA TYR 22 HA TYR 22 -1.513 2.286 -1.640
164 HB2 TYR 22 2HB TYR 22 -0.868 4.045 -3.194
165 HB3 TYR 22 1HB TYR 22 -1.647 2.730 -4.068
166 HD1 TYR 22 1HD TYR 22 -4.058 3.015 -4.781
167 HD2 TYR 22 2HD TYR 22 -1.712 6.241 -3.299
168 HE1 TYR 22 1HE TYR 22 -5.635 4.614 -5.782
169 HE2 TYR 22 2HE TYR 22 -3.285 7.849 -4.292
170 HH TYR 22 HH TYR 22 -6.337 6.950 -5.467
171 H GLY 23 H GLY 23 -0.585 4.337 -0.785
172 HA2 GLY 23 2HA GLY 23 -1.048 6.566 0.106
173 HA3 GLY 23 1HA GLY 23 -2.655 5.991 0.524
174 H GLY 24 H GLY 24 -2.620 4.022 2.051
175 HA2 GLY 24 2HA GLY 24 -0.381 4.153 3.939
176 HA3 GLY 24 1HA GLY 24 -1.987 4.538 4.538
177 H GLY 25 H GLY 25 -3.519 2.656 3.202
178 HA2 GLY 25 2HA GLY 25 -4.187 0.460 3.300
179 HA3 GLY 25 1HA GLY 25 -2.483 0.029 3.322
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -13.412 -6.869 -4.701
2 H2 GLY 1 2HT GLY 1 -12.707 -5.601 -5.571
3 H3 GLY 1 3HT GLY 1 -14.319 -5.487 -5.068
4 HA2 GLY 1 1HA GLY 1 -12.910 -4.133 -3.661
5 HA3 GLY 1 2HA GLY 1 -13.642 -5.451 -2.757
6 H VAL 2 H VAL 2 -11.141 -3.872 -2.343
7 HA VAL 2 HA VAL 2 -9.126 -5.994 -2.544
8 HB VAL 2 HB VAL 2 -8.462 -3.800 -3.408
9 HG11 VAL 2 1HG1 VAL 2 -8.169 -1.894 -1.907
10 HG12 VAL 2 2HG1 VAL 2 -8.871 -2.825 -0.584
11 HG13 VAL 2 3HG1 VAL 2 -9.857 -2.397 -1.982
12 HG21 VAL 2 3HG2 VAL 2 -7.007 -4.548 -0.873
13 HG22 VAL 2 1HG2 VAL 2 -6.356 -3.570 -2.189
14 HG23 VAL 2 2HG2 VAL 2 -6.755 -5.266 -2.464
15 H VAL 3 H VAL 3 -8.473 -7.104 -0.816
16 HA VAL 3 HA VAL 3 -8.655 -5.989 1.848
17 HB VAL 3 HB VAL 3 -9.946 -7.878 2.767
18 HG11 VAL 3 1HG1 VAL 3 -11.064 -5.767 2.218
19 HG12 VAL 3 2HG1 VAL 3 -12.140 -7.149 2.014
20 HG13 VAL 3 3HG1 VAL 3 -11.417 -6.380 0.602
21 HG21 VAL 3 3HG2 VAL 3 -11.214 -9.339 1.259
22 HG22 VAL 3 1HG2 VAL 3 -9.476 -9.533 1.043
23 HG23 VAL 3 2HG2 VAL 3 -10.411 -8.600 -0.127
24 H ARG 4 H ARG 4 -6.491 -6.778 0.207
25 HA ARG 4 HA ARG 4 -5.312 -8.819 1.938
26 HB2 ARG 4 2HB ARG 4 -5.183 -8.916 -1.083
27 HB3 ARG 4 1HB ARG 4 -4.306 -9.978 0.009
28 HG2 ARG 4 2HG ARG 4 -6.417 -10.870 0.849
29 HG3 ARG 4 1HG ARG 4 -7.302 -9.797 -0.237
30 HD2 ARG 4 2HD ARG 4 -7.151 -12.038 -1.175
31 HD3 ARG 4 1HD ARG 4 -6.254 -10.885 -2.162
32 HE ARG 4 HE ARG 4 -4.472 -12.011 -0.340
33 HH11 ARG 4 1HH1 ARG 4 -6.417 -13.010 -3.059
34 HH12 ARG 4 2HH1 ARG 4 -5.341 -14.286 -3.520
35 HH21 ARG 4 1HH2 ARG 4 -3.054 -13.688 -0.944
36 HH22 ARG 4 2HH2 ARG 4 -3.432 -14.671 -2.321
37 H GLN 5 H GLN 5 -3.532 -7.977 2.775
38 HA GLN 5 HA GLN 5 -2.112 -5.879 1.301
39 HB2 GLN 5 2HB GLN 5 -1.054 -5.343 3.447
40 HB3 GLN 5 1HB GLN 5 -2.808 -5.313 3.571
41 HG2 GLN 5 2HG GLN 5 -2.779 -7.527 4.596
42 HG3 GLN 5 1HG GLN 5 -1.020 -7.562 4.471
43 HE21 GLN 5 1HE2 GLN 5 -2.736 -7.717 6.827
44 HE22 GLN 5 2HE2 GLN 5 -2.253 -6.418 7.858
45 H TRP 6 H TRP 6 0.352 -5.878 1.864
46 HA TRP 6 HA TRP 6 1.654 -8.366 2.238
47 HB2 TRP 6 2HB TRP 6 2.442 -8.831 0.017
48 HB3 TRP 6 1HB TRP 6 0.692 -8.679 -0.065
49 HD1 TRP 6 HD TRP 6 0.301 -5.618 -0.383
50 HE1 TRP 6 1HE TRP 6 1.105 -4.393 -2.499
51 HE3 TRP 6 3HE TRP 6 3.794 -8.986 -1.990
52 HZ2 TRP 6 2HZ TRP 6 2.975 -4.801 -4.575
53 HZ3 TRP 6 3HZ TRP 6 5.047 -8.493 -4.050
54 HH2 TRP 6 HH TRP 6 4.645 -6.445 -5.315
55 H SER 7 H SER 7 4.008 -7.890 0.792
56 HA SER 7 HA SER 7 5.064 -5.642 2.305
57 HB2 SER 7 2HB SER 7 7.274 -6.529 1.641
58 HB3 SER 7 1HB SER 7 6.274 -7.765 2.403
59 HG SER 7 HG SER 7 6.667 -7.410 -0.386
60 H GLY 8 H GLY 8 3.409 -4.763 0.286
61 HA2 GLY 8 2HA GLY 8 5.269 -3.820 -1.801
62 HA3 GLY 8 1HA GLY 8 3.525 -3.923 -1.986
63 H TYR 9 H TYR 9 4.992 -2.682 0.920
64 HA TYR 9 HA TYR 9 3.783 -0.078 0.363
65 HB2 TYR 9 2HB TYR 9 3.172 -1.082 2.484
66 HB3 TYR 9 1HB TYR 9 4.865 -1.279 2.919
67 HD1 TYR 9 1HD TYR 9 2.192 1.216 2.363
68 HD2 TYR 9 2HD TYR 9 6.094 0.499 3.900
69 HE1 TYR 9 1HE TYR 9 2.167 3.425 3.444
70 HE2 TYR 9 2HE TYR 9 6.079 2.704 4.987
71 HH TYR 9 HH TYR 9 4.950 4.872 4.736
72 H ASP 10 H ASP 10 4.942 1.699 -0.048
73 HA ASP 10 HA ASP 10 7.869 1.483 0.106
74 HB2 ASP 10 2HB ASP 10 6.929 1.893 -2.142
75 HB3 ASP 10 1HB ASP 10 6.184 3.374 -1.548
76 HA PRO 11 HA PRO 11 6.981 4.378 3.561
77 HB2 PRO 11 2HB PRO 11 9.456 3.979 4.711
78 HB3 PRO 11 1HB PRO 11 8.024 2.996 5.064
79 HG2 PRO 11 2HG PRO 11 10.317 2.409 3.272
80 HG3 PRO 11 1HG PRO 11 9.406 1.327 4.343
81 HD2 PRO 11 2HD PRO 11 9.013 1.375 1.676
82 HD3 PRO 11 1HD PRO 11 7.705 1.030 2.826
83 H ARG 12 H ARG 12 9.569 4.157 1.245
84 HA ARG 12 HA ARG 12 10.960 6.516 1.862
85 HB2 ARG 12 2HB ARG 12 10.587 5.158 -0.815
86 HB3 ARG 12 1HB ARG 12 11.782 6.399 -0.469
87 HG2 ARG 12 2HG ARG 12 12.860 4.939 1.148
88 HG3 ARG 12 1HG ARG 12 11.642 3.698 0.853
89 HD2 ARG 12 2HD ARG 12 13.572 4.799 -1.188
90 HD3 ARG 12 1HD ARG 12 13.718 3.245 -0.368
91 HE ARG 12 HE ARG 12 11.219 3.475 -1.701
92 HH11 ARG 12 2HH1 ARG 12 14.612 2.876 -2.261
93 HH12 ARG 12 1HH1 ARG 12 14.339 1.949 -3.696
94 HH21 ARG 12 1HH2 ARG 12 10.860 2.255 -3.590
95 HH22 ARG 12 2HH2 ARG 12 12.210 1.596 -4.453
96 H THR 13 H THR 13 8.068 5.925 -0.046
97 HA THR 13 HA THR 13 7.764 8.837 -0.354
98 HB THR 13 HB THR 13 6.478 8.433 -2.410
99 HG1 THR 13 1HG THR 13 5.855 6.240 -1.842
100 HG21 THR 13 3HG2 THR 13 8.874 8.877 -2.591
101 HG22 THR 13 1HG2 THR 13 8.347 7.759 -3.849
102 HG23 THR 13 2HG2 THR 13 9.213 7.153 -2.437
103 H GLY 14 H GLY 14 6.785 6.701 1.634
104 HA2 GLY 14 2HA GLY 14 4.861 6.191 2.793
105 HA3 GLY 14 1HA GLY 14 4.475 7.878 2.496
106 H THR 15 H THR 15 4.673 5.122 0.256
107 HA THR 15 HA THR 15 1.797 5.101 -0.080
108 HB THR 15 HB THR 15 1.924 5.430 -2.546
109 HG1 THR 15 1HG THR 15 3.981 5.208 -3.166
110 HG21 THR 15 3HG2 THR 15 1.216 7.261 -1.081
111 HG22 THR 15 1HG2 THR 15 2.110 7.871 -2.474
112 HG23 THR 15 2HG2 THR 15 2.894 7.769 -0.898
113 H TRP 16 H TRP 16 1.102 3.400 -1.626
114 HA TRP 16 HA TRP 16 2.768 1.050 -1.275
115 HB2 TRP 16 2HB TRP 16 -0.047 1.437 -2.296
116 HB3 TRP 16 1HB TRP 16 0.756 -0.129 -2.260
117 HD1 TRP 16 HD TRP 16 -0.539 2.603 0.133
118 HE1 TRP 16 1HE TRP 16 -0.981 1.521 2.426
119 HE3 TRP 16 3HE TRP 16 1.309 -2.071 -0.804
120 HZ2 TRP 16 2HZ TRP 16 -0.597 -0.983 3.673
121 HZ3 TRP 16 3HZ TRP 16 1.236 -3.751 0.992
122 HH2 TRP 16 HH TRP 16 0.301 -3.216 3.184
123 H ARG 17 H ARG 17 2.425 -0.562 -3.301
124 HA ARG 17 HA ARG 17 3.905 0.704 -5.431
125 HB2 ARG 17 2HB ARG 17 3.114 -2.140 -4.858
126 HB3 ARG 17 1HB ARG 17 3.876 -1.680 -6.374
127 HG2 ARG 17 2HG ARG 17 5.074 -1.163 -3.662
128 HG3 ARG 17 1HG ARG 17 5.431 -2.580 -4.653
129 HD2 ARG 17 2HD ARG 17 7.163 -1.137 -5.189
130 HD3 ARG 17 1HD ARG 17 6.006 -0.856 -6.488
131 HE ARG 17 HE ARG 17 5.566 0.952 -4.355
132 HH11 ARG 17 2HH1 ARG 17 7.737 0.316 -7.013
133 HH12 ARG 17 1HH1 ARG 17 8.194 1.976 -7.201
134 HH21 ARG 17 2HH2 ARG 17 6.167 3.136 -4.599
135 HH22 ARG 17 1HH2 ARG 17 7.304 3.578 -5.830
136 H SER 18 H SER 18 1.408 -1.744 -5.928
137 HA SER 18 HA SER 18 -0.460 -0.011 -7.167
138 HB2 SER 18 2HB SER 18 1.251 0.117 -8.914
139 HB3 SER 18 1HB SER 18 1.286 -1.643 -9.026
140 HG SER 18 HG SER 18 -0.918 -1.546 -9.681
141 H SER 19 H SER 19 0.852 -3.292 -7.007
142 HA SER 19 HA SER 19 -1.301 -4.773 -7.865
143 HB2 SER 19 2HB SER 19 -0.459 -6.585 -6.414
144 HB3 SER 19 1HB SER 19 0.853 -5.777 -7.274
145 HG SER 19 HG SER 19 1.064 -4.482 -5.285
146 H ILE 20 H ILE 20 -0.885 -3.093 -4.828
147 HA ILE 20 HA ILE 20 -3.608 -3.920 -4.055
148 HB ILE 20 HB ILE 20 -1.355 -3.246 -2.160
149 HG12 ILE 20 2HG1 ILE 20 -0.943 -5.384 -3.277
150 HG13 ILE 20 1HG1 ILE 20 -1.372 -5.643 -1.589
151 HG21 ILE 20 1HG2 ILE 20 -2.907 -4.125 -0.443
152 HG22 ILE 20 2HG2 ILE 20 -4.157 -4.249 -1.680
153 HG23 ILE 20 3HG2 ILE 20 -3.505 -2.670 -1.238
154 HD11 ILE 20 3HD1 ILE 20 -2.448 -7.270 -3.026
155 HD12 ILE 20 1HD1 ILE 20 -3.206 -5.974 -3.952
156 HD13 ILE 20 2HD1 ILE 20 -3.646 -6.225 -2.262
157 H ALA 21 H ALA 21 -4.847 -2.337 -2.880
158 HA ALA 21 HA ALA 21 -4.864 0.196 -3.991
159 HB1 ALA 21 1HB ALA 21 -6.419 0.821 -2.224
160 HB2 ALA 21 2HB ALA 21 -5.954 -0.605 -1.295
161 HB3 ALA 21 3HB ALA 21 -6.782 -0.791 -2.840
162 H TYR 22 H TYR 22 -3.762 2.018 -3.666
163 HA TYR 22 HA TYR 22 -1.761 2.064 -1.537
164 HB2 TYR 22 2HB TYR 22 -0.744 3.904 -2.778
165 HB3 TYR 22 1HB TYR 22 -1.020 2.528 -3.841
166 HD1 TYR 22 2HD TYR 22 -2.914 2.595 -5.468
167 HD2 TYR 22 1HD TYR 22 -1.781 6.002 -3.186
168 HE1 TYR 22 2HE TYR 22 -4.150 4.042 -7.025
169 HE2 TYR 22 1HE TYR 22 -3.015 7.458 -4.734
170 HH TYR 22 HH TYR 22 -3.816 7.419 -7.056
171 H GLY 23 H GLY 23 -1.327 4.297 -0.579
172 HA2 GLY 23 2HA GLY 23 -2.071 6.243 0.455
173 HA3 GLY 23 1HA GLY 23 -3.634 6.024 -0.316
174 H GLY 24 H GLY 24 -1.584 4.559 2.204
175 HA2 GLY 24 2HA GLY 24 -2.408 4.487 4.487
176 HA3 GLY 24 1HA GLY 24 -4.025 4.261 3.838
177 H GLY 25 H GLY 25 -4.158 2.227 2.351
178 HA2 GLY 25 2HA GLY 25 -2.681 0.025 2.309
179 HA3 GLY 25 1HA GLY 25 -3.204 0.009 3.987
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -13.811 -2.437 -2.800
2 H2 GLY 1 2HT GLY 1 -13.773 -4.012 -3.416
3 H3 GLY 1 3HT GLY 1 -14.127 -2.713 -4.441
4 HA2 GLY 1 1HA GLY 1 -11.866 -3.463 -4.796
5 HA3 GLY 1 2HA GLY 1 -11.906 -1.826 -4.157
6 H VAL 2 H VAL 2 -12.262 -4.984 -2.560
7 HA VAL 2 HA VAL 2 -10.131 -4.177 -0.704
8 HB VAL 2 HB VAL 2 -12.186 -6.360 -0.336
9 HG11 VAL 2 1HG1 VAL 2 -10.259 -5.086 1.604
10 HG12 VAL 2 2HG1 VAL 2 -10.152 -6.720 0.948
11 HG13 VAL 2 3HG1 VAL 2 -11.487 -6.283 2.013
12 HG21 VAL 2 3HG2 VAL 2 -13.297 -4.813 1.211
13 HG22 VAL 2 1HG2 VAL 2 -13.272 -4.185 -0.436
14 HG23 VAL 2 2HG2 VAL 2 -12.147 -3.552 0.765
15 H VAL 3 H VAL 3 -8.345 -5.424 -0.380
16 HA VAL 3 HA VAL 3 -8.161 -8.042 -1.644
17 HB VAL 3 HB VAL 3 -6.082 -7.522 -2.814
18 HG11 VAL 3 1HG1 VAL 3 -7.010 -6.149 -4.616
19 HG12 VAL 3 2HG1 VAL 3 -8.330 -5.657 -3.557
20 HG13 VAL 3 3HG1 VAL 3 -8.173 -7.343 -4.042
21 HG21 VAL 3 3HG2 VAL 3 -5.277 -5.719 -1.390
22 HG22 VAL 3 1HG2 VAL 3 -6.584 -4.676 -1.949
23 HG23 VAL 3 2HG2 VAL 3 -5.333 -5.202 -3.076
24 H ARG 4 H ARG 4 -5.611 -8.704 -1.297
25 HA ARG 4 HA ARG 4 -5.318 -8.638 1.597
26 HB2 ARG 4 2HB ARG 4 -3.809 -10.230 -0.483
27 HB3 ARG 4 1HB ARG 4 -3.669 -10.427 1.258
28 HG2 ARG 4 2HG ARG 4 -6.116 -10.950 -0.415
29 HG3 ARG 4 1HG ARG 4 -5.076 -12.154 0.347
30 HD2 ARG 4 2HD ARG 4 -6.695 -10.066 1.801
31 HD3 ARG 4 1HD ARG 4 -7.142 -11.761 1.621
32 HE ARG 4 HE ARG 4 -4.572 -11.546 2.777
33 HH11 ARG 4 1HH1 ARG 4 -7.950 -11.101 3.538
34 HH12 ARG 4 2HH1 ARG 4 -7.739 -11.416 5.228
35 HH21 ARG 4 1HH2 ARG 4 -4.293 -11.963 4.998
36 HH22 ARG 4 2HH2 ARG 4 -5.663 -11.906 6.056
37 H GLN 5 H GLN 5 -3.455 -7.997 2.676
38 HA GLN 5 HA GLN 5 -1.812 -6.072 1.196
39 HB2 GLN 5 2HB GLN 5 -2.963 -5.203 3.162
40 HB3 GLN 5 1HB GLN 5 -2.233 -6.447 4.166
41 HG2 GLN 5 2HG GLN 5 -0.018 -5.496 3.704
42 HG3 GLN 5 1HG GLN 5 -0.779 -4.228 2.744
43 HE21 GLN 5 1HE2 GLN 5 -0.248 -5.482 5.939
44 HE22 GLN 5 2HE2 GLN 5 -0.779 -4.084 6.800
45 H TRP 6 H TRP 6 0.469 -6.012 1.478
46 HA TRP 6 HA TRP 6 1.763 -8.271 2.758
47 HB2 TRP 6 2HB TRP 6 2.864 -9.104 0.805
48 HB3 TRP 6 1HB TRP 6 1.151 -9.003 0.420
49 HD1 TRP 6 HD TRP 6 0.533 -6.474 -0.856
50 HE1 TRP 6 1HE TRP 6 1.791 -5.464 -2.863
51 HE3 TRP 6 3HE TRP 6 4.949 -9.003 -0.396
52 HZ2 TRP 6 2HZ TRP 6 4.325 -5.705 -4.084
53 HZ3 TRP 6 3HZ TRP 6 6.740 -8.555 -2.023
54 HH2 TRP 6 HH TRP 6 6.432 -6.941 -3.829
55 H SER 7 H SER 7 4.271 -7.799 1.288
56 HA SER 7 HA SER 7 5.087 -5.410 2.739
57 HB2 SER 7 2HB SER 7 6.731 -7.507 1.303
58 HB3 SER 7 1HB SER 7 7.386 -6.181 2.264
59 HG SER 7 HG SER 7 7.220 -8.151 3.445
60 H GLY 8 H GLY 8 3.499 -5.021 0.372
61 HA2 GLY 8 2HA GLY 8 5.423 -4.032 -1.604
62 HA3 GLY 8 1HA GLY 8 3.689 -4.181 -1.837
63 H TYR 9 H TYR 9 5.045 -2.723 1.024
64 HA TYR 9 HA TYR 9 3.857 -0.166 0.224
65 HB2 TYR 9 2HB TYR 9 3.052 -1.017 2.337
66 HB3 TYR 9 1HB TYR 9 4.696 -1.235 2.925
67 HD1 TYR 9 1HD TYR 9 2.205 1.330 1.936
68 HD2 TYR 9 2HD TYR 9 5.838 0.523 3.999
69 HE1 TYR 9 1HE TYR 9 2.154 3.592 2.902
70 HE2 TYR 9 2HE TYR 9 5.796 2.781 4.970
71 HH TYR 9 HH TYR 9 3.059 4.784 4.850
72 H ASP 10 H ASP 10 5.079 1.528 -0.290
73 HA ASP 10 HA ASP 10 7.975 1.331 0.144
74 HB2 ASP 10 2HB ASP 10 7.072 1.651 -2.187
75 HB3 ASP 10 1HB ASP 10 6.507 3.241 -1.680
76 HA PRO 11 HA PRO 11 6.869 4.419 3.358
77 HB2 PRO 11 2HB PRO 11 9.189 4.013 4.777
78 HB3 PRO 11 1HB PRO 11 7.710 3.065 5.008
79 HG2 PRO 11 2HG PRO 11 10.170 2.379 3.496
80 HG3 PRO 11 1HG PRO 11 9.131 1.352 4.504
81 HD2 PRO 11 2HD PRO 11 9.028 1.313 1.804
82 HD3 PRO 11 1HD PRO 11 7.611 1.000 2.824
83 H ARG 12 H ARG 12 9.598 4.056 1.250
84 HA ARG 12 HA ARG 12 11.140 6.267 1.908
85 HB2 ARG 12 2HB ARG 12 10.594 5.117 -0.833
86 HB3 ARG 12 1HB ARG 12 11.896 6.234 -0.450
87 HG2 ARG 12 2HG ARG 12 12.874 4.592 1.064
88 HG3 ARG 12 1HG ARG 12 11.558 3.473 0.703
89 HD2 ARG 12 2HD ARG 12 13.530 4.565 -1.302
90 HD3 ARG 12 1HD ARG 12 13.597 2.961 -0.573
91 HE ARG 12 HE ARG 12 11.087 3.346 -1.797
92 HH11 ARG 12 2HH1 ARG 12 14.443 2.831 -2.604
93 HH12 ARG 12 1HH1 ARG 12 14.092 2.062 -4.115
94 HH21 ARG 12 1HH2 ARG 12 10.623 2.339 -3.784
95 HH22 ARG 12 2HH2 ARG 12 11.922 1.783 -4.786
96 H THR 13 H THR 13 8.129 6.084 0.118
97 HA THR 13 HA THR 13 8.014 9.014 0.169
98 HB THR 13 HB THR 13 8.608 8.375 -2.124
99 HG1 THR 13 1HG THR 13 6.971 9.574 -3.092
100 HG21 THR 13 3HG2 THR 13 7.039 7.098 -3.504
101 HG22 THR 13 1HG2 THR 13 6.011 6.834 -2.095
102 HG23 THR 13 2HG2 THR 13 7.626 6.132 -2.151
103 H GLY 14 H GLY 14 6.774 6.551 1.563
104 HA2 GLY 14 2HA GLY 14 4.749 5.977 2.477
105 HA3 GLY 14 1HA GLY 14 4.379 7.688 2.343
106 H THR 15 H THR 15 4.577 4.807 0.248
107 HA THR 15 HA THR 15 1.867 5.232 -0.648
108 HB THR 15 HB THR 15 2.422 5.327 -3.045
109 HG1 THR 15 1HG THR 15 4.454 4.541 -3.237
110 HG21 THR 15 3HG2 THR 15 3.730 7.566 -1.497
111 HG22 THR 15 1HG2 THR 15 1.995 7.408 -1.768
112 HG23 THR 15 2HG2 THR 15 3.083 7.655 -3.135
113 H TRP 16 H TRP 16 1.159 3.516 -2.155
114 HA TRP 16 HA TRP 16 2.554 1.007 -1.534
115 HB2 TRP 16 2HB TRP 16 -0.316 1.586 -2.270
116 HB3 TRP 16 1HB TRP 16 0.342 -0.046 -2.165
117 HD1 TRP 16 HD TRP 16 -0.479 2.988 0.053
118 HE1 TRP 16 1HE TRP 16 -0.708 2.177 2.485
119 HE3 TRP 16 3HE TRP 16 0.992 -1.869 -0.568
120 HZ2 TRP 16 2HZ TRP 16 -0.315 -0.205 3.945
121 HZ3 TRP 16 3HZ TRP 16 1.039 -3.347 1.398
122 HH2 TRP 16 HH TRP 16 0.400 -2.530 3.608
123 H ARG 17 H ARG 17 2.634 -0.653 -3.194
124 HA ARG 17 HA ARG 17 3.697 0.281 -5.599
125 HB2 ARG 17 2HB ARG 17 2.699 -2.444 -4.789
126 HB3 ARG 17 1HB ARG 17 3.466 -2.138 -6.342
127 HG2 ARG 17 2HG ARG 17 4.734 -1.615 -3.661
128 HG3 ARG 17 1HG ARG 17 5.010 -3.049 -4.652
129 HD2 ARG 17 2HD ARG 17 5.867 -1.620 -6.455
130 HD3 ARG 17 1HD ARG 17 5.613 -0.200 -5.440
131 HE ARG 17 HE ARG 17 7.229 -1.997 -4.039
132 HH11 ARG 17 2HH1 ARG 17 7.376 0.016 -6.886
133 HH12 ARG 17 1HH1 ARG 17 9.090 0.243 -6.791
134 HH21 ARG 17 2HH2 ARG 17 9.484 -1.699 -3.911
135 HH22 ARG 17 1HH2 ARG 17 10.287 -0.732 -5.101
136 H SER 18 H SER 18 0.991 -1.992 -5.783
137 HA SER 18 HA SER 18 -0.831 -0.183 -6.974
138 HB2 SER 18 2HB SER 18 0.759 -0.235 -8.831
139 HB3 SER 18 1HB SER 18 0.672 -1.997 -8.876
140 HG SER 18 HG SER 18 -0.697 -1.073 -10.436
141 H SER 19 H SER 19 0.268 -3.542 -6.812
142 HA SER 19 HA SER 19 -2.053 -4.876 -7.454
143 HB2 SER 19 2HB SER 19 -0.031 -6.115 -7.110
144 HB3 SER 19 1HB SER 19 0.078 -5.585 -5.433
145 HG SER 19 HG SER 19 -1.292 -7.089 -4.875
146 H ILE 20 H ILE 20 -1.308 -3.117 -4.542
147 HA ILE 20 HA ILE 20 -3.965 -3.841 -3.490
148 HB ILE 20 HB ILE 20 -1.542 -3.122 -1.831
149 HG12 ILE 20 2HG1 ILE 20 -1.933 -5.575 -1.044
150 HG13 ILE 20 1HG1 ILE 20 -2.778 -5.756 -2.580
151 HG21 ILE 20 1HG2 ILE 20 -3.639 -2.433 -0.807
152 HG22 ILE 20 2HG2 ILE 20 -2.935 -3.791 0.071
153 HG23 ILE 20 3HG2 ILE 20 -4.292 -4.058 -1.021
154 HD11 ILE 20 3HD1 ILE 20 -0.436 -6.489 -2.665
155 HD12 ILE 20 1HD1 ILE 20 0.071 -4.844 -2.279
156 HD13 ILE 20 2HD1 ILE 20 -0.778 -5.174 -3.787
157 H ALA 21 H ALA 21 -5.126 -2.183 -2.400
158 HA ALA 21 HA ALA 21 -5.149 0.294 -3.616
159 HB1 ALA 21 1HB ALA 21 -6.606 1.031 -1.811
160 HB2 ALA 21 2HB ALA 21 -6.111 -0.347 -0.829
161 HB3 ALA 21 3HB ALA 21 -7.021 -0.606 -2.318
162 H TYR 22 H TYR 22 -4.061 2.153 -3.392
163 HA TYR 22 HA TYR 22 -1.929 2.239 -1.392
164 HB2 TYR 22 2HB TYR 22 -0.965 4.029 -2.754
165 HB3 TYR 22 1HB TYR 22 -1.293 2.606 -3.738
166 HD1 TYR 22 2HD TYR 22 -3.237 2.607 -5.294
167 HD2 TYR 22 1HD TYR 22 -2.042 6.106 -3.189
168 HE1 TYR 22 2HE TYR 22 -4.543 3.985 -6.857
169 HE2 TYR 22 1HE TYR 22 -3.345 7.494 -4.747
170 HH TYR 22 HH TYR 22 -5.612 6.195 -6.914
171 H GLY 23 H GLY 23 -1.403 4.601 -0.681
172 HA2 GLY 23 2HA GLY 23 -2.070 6.572 0.339
173 HA3 GLY 23 1HA GLY 23 -3.687 6.318 -0.302
174 H GLY 24 H GLY 24 -1.513 4.684 2.016
175 HA2 GLY 24 2HA GLY 24 -2.047 4.711 4.385
176 HA3 GLY 24 1HA GLY 24 -3.748 4.714 3.942
177 H GLY 25 H GLY 25 -4.368 2.735 2.530
178 HA2 GLY 25 2HA GLY 25 -4.077 0.413 2.083
179 HA3 GLY 25 1HA GLY 25 -2.911 0.337 3.395