Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
542231 | 2ll2 RC | 18022 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 1HT LYS 1 3.637 -11.619 -4.602
2 H2 LYS 1 2HT LYS 1 4.664 -12.992 -4.616
3 H3 LYS 1 3HT LYS 1 4.688 -11.886 -5.929
4 HA LYS 1 HA LYS 1 5.812 -11.668 -3.259
5 HB2 LYS 1 2HB LYS 1 6.667 -10.908 -6.055
6 HB3 LYS 1 1HB LYS 1 7.616 -10.565 -4.623
7 HG2 LYS 1 2HG LYS 1 8.581 -12.495 -5.459
8 HG3 LYS 1 1HG LYS 1 7.521 -13.088 -4.183
9 HD2 LYS 1 2HD LYS 1 7.157 -14.558 -5.961
10 HD3 LYS 1 1HD LYS 1 5.797 -13.448 -6.053
11 HE2 LYS 1 2HE LYS 1 8.316 -13.177 -7.682
12 HE3 LYS 1 1HE LYS 1 6.855 -13.979 -8.250
13 HZ1 LYS 1 2HZ LYS 1 7.363 -11.129 -7.820
14 HZ2 LYS 1 3HZ LYS 1 5.790 -11.699 -7.567
15 HZ3 LYS 1 1HZ LYS 1 6.532 -11.901 -9.074
16 H GLY 2 H GLY 2 6.759 -9.430 -2.822
17 HA2 GLY 2 2HA GLY 2 4.828 -7.335 -3.598
18 HA3 GLY 2 1HA GLY 2 5.292 -7.560 -1.918
19 H VAL 3 H VAL 3 5.608 -5.244 -3.750
20 HA VAL 3 HA VAL 3 8.045 -4.280 -2.870
21 HB VAL 3 HB VAL 3 9.060 -5.937 -4.383
22 HG11 VAL 3 1HG1 VAL 3 8.769 -5.890 -6.736
23 HG12 VAL 3 2HG1 VAL 3 7.829 -4.400 -6.657
24 HG13 VAL 3 3HG1 VAL 3 7.155 -5.903 -6.026
25 HG21 VAL 3 3HG2 VAL 3 10.037 -3.857 -5.940
26 HG22 VAL 3 1HG2 VAL 3 10.661 -4.380 -4.376
27 HG23 VAL 3 2HG2 VAL 3 9.486 -3.066 -4.463
28 H LYS 4 H LYS 4 8.192 -2.211 -3.186
29 HA LYS 4 HA LYS 4 6.485 -0.865 -5.098
30 HB2 LYS 4 2HB LYS 4 6.495 0.893 -3.162
31 HB3 LYS 4 1HB LYS 4 5.324 -0.406 -3.139
32 HG2 LYS 4 2HG LYS 4 6.761 -1.642 -1.585
33 HG3 LYS 4 1HG LYS 4 7.923 -0.314 -1.614
34 HD2 LYS 4 2HD LYS 4 5.054 -0.069 -0.715
35 HD3 LYS 4 1HD LYS 4 6.430 -0.282 0.368
36 HE2 LYS 4 2HE LYS 4 6.056 2.013 -1.551
37 HE3 LYS 4 1HE LYS 4 5.732 2.072 0.181
38 HZ1 LYS 4 3HZ LYS 4 8.065 1.602 0.596
39 HZ2 LYS 4 1HZ LYS 4 7.899 2.995 -0.350
40 HZ3 LYS 4 2HZ LYS 4 8.376 1.539 -1.065
41 H ASP 5 H ASP 5 8.276 1.055 -2.975
42 HA ASP 5 HA ASP 5 10.104 2.344 -3.300
43 HB2 ASP 5 2HB ASP 5 11.236 0.088 -3.368
44 HB3 ASP 5 1HB ASP 5 11.081 0.161 -5.111
45 H ARG 6 H ARG 6 8.787 0.806 -5.963
46 HA ARG 6 HA ARG 6 9.485 2.634 -7.939
47 HB2 ARG 6 2HB ARG 6 9.111 0.313 -8.429
48 HB3 ARG 6 1HB ARG 6 7.516 0.414 -7.732
49 HG2 ARG 6 2HG ARG 6 7.130 2.204 -9.485
50 HG3 ARG 6 1HG ARG 6 8.468 1.448 -10.343
51 HD2 ARG 6 2HD ARG 6 5.990 0.028 -9.371
52 HD3 ARG 6 1HD ARG 6 6.235 0.591 -11.020
53 HE ARG 6 HE ARG 6 7.681 -1.165 -11.394
54 HH11 ARG 6 1HH1 ARG 6 6.788 -1.080 -8.019
55 HH12 ARG 6 2HH1 ARG 6 7.622 -2.547 -7.636
56 HH21 ARG 6 1HH2 ARG 6 8.760 -3.100 -10.890
57 HH22 ARG 6 2HH2 ARG 6 8.733 -3.696 -9.264
58 H VAL 7 H VAL 7 7.043 2.017 -5.905
59 HA VAL 7 HA VAL 7 5.120 3.785 -6.999
60 HB VAL 7 HB VAL 7 4.626 1.838 -5.423
61 HG11 VAL 7 1HG1 VAL 7 4.903 2.043 -3.157
62 HG12 VAL 7 2HG1 VAL 7 4.881 3.806 -3.203
63 HG13 VAL 7 3HG1 VAL 7 6.322 2.930 -3.719
64 HG21 VAL 7 3HG2 VAL 7 3.437 4.521 -5.547
65 HG22 VAL 7 1HG2 VAL 7 2.854 3.473 -4.250
66 HG23 VAL 7 2HG2 VAL 7 2.741 2.944 -5.931
67 H LYS 8 H LYS 8 7.773 4.210 -5.008
68 HA LYS 8 HA LYS 8 7.378 6.219 -3.323
69 HB2 LYS 8 2HB LYS 8 9.544 6.698 -3.435
70 HB3 LYS 8 1HB LYS 8 9.632 5.262 -4.395
71 HG2 LYS 8 2HG LYS 8 9.217 7.789 -5.864
72 HG3 LYS 8 1HG LYS 8 10.752 7.635 -5.026
73 HD2 LYS 8 2HD LYS 8 11.084 6.828 -7.224
74 HD3 LYS 8 1HD LYS 8 11.039 5.419 -6.166
75 HE2 LYS 8 2HE LYS 8 8.709 5.031 -6.783
76 HE3 LYS 8 1HE LYS 8 8.750 6.449 -7.830
77 HZ1 LYS 8 3HZ LYS 8 9.093 4.249 -8.962
78 HZ2 LYS 8 1HZ LYS 8 10.599 4.165 -8.193
79 HZ3 LYS 8 2HZ LYS 8 10.270 5.421 -9.276
80 H GLY 9 H GLY 9 7.410 6.506 -6.702
81 HA2 GLY 9 2HA GLY 9 7.006 9.315 -6.854
82 HA3 GLY 9 1HA GLY 9 6.731 8.174 -8.150
83 H LYS 10 H LYS 10 5.116 7.029 -5.523
84 HA LYS 10 HA LYS 10 2.968 6.715 -5.125
85 HB2 LYS 10 2HB LYS 10 2.697 9.602 -5.352
86 HB3 LYS 10 1HB LYS 10 2.053 8.539 -4.172
87 HG2 LYS 10 2HG LYS 10 4.884 9.421 -4.431
88 HG3 LYS 10 1HG LYS 10 3.726 9.947 -3.210
89 HD2 LYS 10 2HD LYS 10 4.222 7.099 -3.646
90 HD3 LYS 10 1HD LYS 10 5.389 8.009 -2.681
91 HE2 LYS 10 2HE LYS 10 2.426 7.710 -2.158
92 HE3 LYS 10 1HE LYS 10 3.723 6.936 -1.249
93 HZ1 LYS 10 3HZ LYS 10 3.004 9.804 -1.333
94 HZ2 LYS 10 1HZ LYS 10 4.516 9.284 -0.778
95 HZ3 LYS 10 2HZ LYS 10 3.106 8.785 0.013
96 H SER 11 H SER 11 3.830 7.793 -8.001
97 HA SER 11 HA SER 11 1.190 8.120 -9.142
98 HB2 SER 11 2HB SER 11 2.969 9.695 -9.833
99 HB3 SER 11 1HB SER 11 3.918 8.326 -10.420
100 HG SER 11 HG SER 11 2.543 9.569 -11.983
101 H ASP 12 H ASP 12 3.147 5.717 -8.327
102 HA ASP 12 HA ASP 12 3.476 3.918 -10.350
103 HB2 ASP 12 2HB ASP 12 3.775 3.887 -7.804
104 HB3 ASP 12 1HB ASP 12 2.145 3.216 -7.815
105 HA PRO 13 HA PRO 13 -0.815 3.633 -11.649
106 HB2 PRO 13 2HB PRO 13 -0.292 2.401 -14.022
107 HB3 PRO 13 1HB PRO 13 -0.203 4.135 -13.742
108 HG2 PRO 13 2HG PRO 13 1.984 2.156 -13.891
109 HG3 PRO 13 1HG PRO 13 1.954 3.847 -14.417
110 HD2 PRO 13 2HD PRO 13 3.107 2.952 -12.102
111 HD3 PRO 13 1HD PRO 13 2.584 4.604 -12.333
112 H TYR 14 H TYR 14 1.311 0.995 -11.620
113 HA TYR 14 HA TYR 14 -0.569 -1.082 -12.023
114 HB2 TYR 14 2HB TYR 14 1.697 -1.942 -10.415
115 HB3 TYR 14 1HB TYR 14 1.292 -2.386 -12.081
116 HD1 TYR 14 1HD TYR 14 2.351 0.595 -10.258
117 HD2 TYR 14 2HD TYR 14 2.984 -1.883 -13.613
118 HE1 TYR 14 1HE TYR 14 4.080 2.089 -10.968
119 HE2 TYR 14 2HE TYR 14 4.795 -0.395 -14.371
120 HH TYR 14 HH TYR 14 6.075 2.098 -12.366
121 H HIS 15 H HIS 15 0.885 0.243 -9.140
122 HA HIS 15 HA HIS 15 -0.733 -1.339 -7.408
123 HB2 HIS 15 2HB HIS 15 0.996 1.071 -6.924
124 HB3 HIS 15 1HB HIS 15 0.296 0.074 -5.635
125 HD1 HIS 15 1HD HIS 15 3.303 0.264 -5.668
126 HD2 HIS 15 2HD HIS 15 1.220 -2.574 -7.871
127 HE1 HIS 15 1HE HIS 15 4.960 -1.559 -6.174
128 HE2 HIS 15 2HE HIS 15 3.697 -3.231 -7.557
129 H ALA 16 H ALA 16 -0.845 1.543 -9.049
130 HA ALA 16 HA ALA 16 -2.814 3.015 -7.719
131 HB1 ALA 16 1HB ALA 16 -2.573 2.973 -10.680
132 HB2 ALA 16 2HB ALA 16 -1.128 3.414 -9.753
133 HB3 ALA 16 3HB ALA 16 -2.612 4.373 -9.587
134 H THR 17 H THR 17 -2.834 0.426 -9.944
135 HA THR 17 HA THR 17 -5.598 0.639 -10.617
136 HB THR 17 HB THR 17 -3.360 -0.251 -11.781
137 HG1 THR 17 1HG THR 17 -6.047 -0.612 -12.149
138 HG21 THR 17 3HG2 THR 17 -3.342 -2.315 -10.324
139 HG22 THR 17 1HG2 THR 17 -3.331 -2.609 -12.060
140 HG23 THR 17 2HG2 THR 17 -4.821 -2.809 -11.139
141 H SER 18 H SER 18 -3.495 -1.246 -8.790
142 HA SER 18 HA SER 18 -5.487 -3.003 -7.715
143 HB2 SER 18 2HB SER 18 -3.736 -3.820 -6.217
144 HB3 SER 18 1HB SER 18 -3.161 -3.767 -7.883
145 HG SER 18 HG SER 18 -1.651 -2.886 -6.388
146 H GLY 19 H GLY 19 -4.409 0.124 -7.027
147 HA2 GLY 19 2HA GLY 19 -5.152 0.135 -4.238
148 HA3 GLY 19 1HA GLY 19 -4.757 1.548 -5.211
149 H ALA 20 H ALA 20 -6.552 1.769 -7.098
150 HA ALA 20 HA ALA 20 -8.941 2.510 -5.811
151 HB1 ALA 20 1HB ALA 20 -9.604 3.274 -7.844
152 HB2 ALA 20 2HB ALA 20 -9.136 1.787 -8.671
153 HB3 ALA 20 3HB ALA 20 -7.914 2.993 -8.266
154 H LEU 21 H LEU 21 -7.714 -0.443 -7.019
155 HA LEU 21 HA LEU 21 -10.249 -1.809 -6.739
156 HB2 LEU 21 2HB LEU 21 -7.678 -2.734 -7.986
157 HB3 LEU 21 1HB LEU 21 -9.141 -3.695 -7.884
158 HG LEU 21 HG LEU 21 -8.812 -1.129 -9.441
159 HD11 LEU 21 1HD1 LEU 21 -9.472 -2.974 -11.258
160 HD12 LEU 21 2HD1 LEU 21 -8.598 -3.998 -10.118
161 HD13 LEU 21 3HD1 LEU 21 -7.802 -2.596 -10.835
162 HD21 LEU 21 3HD2 LEU 21 -11.033 -1.014 -9.008
163 HD22 LEU 21 1HD2 LEU 21 -11.173 -2.741 -8.678
164 HD23 LEU 21 2HD2 LEU 21 -11.102 -2.164 -10.343
165 H SER 22 H SER 22 -7.988 -0.934 -4.745
166 HA SER 22 HA SER 22 -6.646 -1.968 -3.158
167 HB2 SER 22 2HB SER 22 -9.519 -2.077 -2.275
168 HB3 SER 22 1HB SER 22 -8.119 -2.150 -1.228
169 HG SER 22 HG SER 22 -8.129 -0.068 -1.278
170 HA PRO 23 HA PRO 23 -8.179 -6.379 -2.075
171 HB2 PRO 23 2HB PRO 23 -10.241 -7.352 -3.619
172 HB3 PRO 23 1HB PRO 23 -10.415 -6.760 -1.958
173 HG2 PRO 23 2HG PRO 23 -10.870 -5.320 -4.542
174 HG3 PRO 23 1HG PRO 23 -11.814 -5.292 -3.053
175 HD2 PRO 23 2HD PRO 23 -10.200 -3.276 -3.634
176 HD3 PRO 23 1HD PRO 23 -10.327 -3.874 -1.966
177 H ALA 24 H ALA 24 -8.075 -4.989 -4.990
178 HA ALA 24 HA ALA 24 -7.482 -7.128 -6.734
179 HB1 ALA 24 1HB ALA 24 -7.969 -5.281 -7.949
180 HB2 ALA 24 2HB ALA 24 -6.213 -5.106 -7.924
181 HB3 ALA 24 3HB ALA 24 -7.209 -4.194 -6.788
182 H LYS 25 H LYS 25 -5.549 -5.285 -4.492
183 HA LYS 25 HA LYS 25 -2.989 -5.801 -5.420
184 HB2 LYS 25 2HB LYS 25 -3.969 -5.558 -2.570
185 HB3 LYS 25 1HB LYS 25 -2.277 -5.507 -3.049
186 HG2 LYS 25 2HG LYS 25 -2.700 -3.516 -4.366
187 HG3 LYS 25 1HG LYS 25 -4.407 -3.569 -3.926
188 HD2 LYS 25 2HD LYS 25 -3.795 -3.297 -1.565
189 HD3 LYS 25 1HD LYS 25 -2.090 -3.226 -2.020
190 HE2 LYS 25 2HE LYS 25 -2.530 -1.220 -3.349
191 HE3 LYS 25 1HE LYS 25 -4.234 -1.294 -2.900
192 HZ1 LYS 25 3HZ LYS 25 -3.765 -0.723 -0.716
193 HZ2 LYS 25 1HZ LYS 25 -2.701 0.258 -1.595
194 HZ3 LYS 25 2HZ LYS 25 -2.130 -1.142 -0.836
195 H ASP 26 H ASP 26 -3.834 -7.402 -2.413
196 HA ASP 26 HA ASP 26 -2.304 -9.699 -3.068
197 HB2 ASP 26 2HB ASP 26 -4.299 -9.279 -0.832
198 HB3 ASP 26 1HB ASP 26 -3.147 -10.607 -0.934
Start of MODEL 2
1 H1 LYS 1 1HT LYS 1 4.997 -5.994 -14.186
2 H2 LYS 1 2HT LYS 1 4.736 -7.529 -13.464
3 H3 LYS 1 3HT LYS 1 5.403 -7.424 -15.041
4 HA LYS 1 HA LYS 1 7.188 -7.879 -13.720
5 HB2 LYS 1 2HB LYS 1 6.990 -4.874 -14.027
6 HB3 LYS 1 1HB LYS 1 8.482 -5.771 -13.781
7 HG2 LYS 1 2HG LYS 1 6.644 -6.005 -16.155
8 HG3 LYS 1 1HG LYS 1 8.200 -5.173 -16.114
9 HD2 LYS 1 2HD LYS 1 7.754 -8.124 -15.659
10 HD3 LYS 1 1HD LYS 1 8.405 -7.389 -17.126
11 HE2 LYS 1 2HE LYS 1 9.653 -7.283 -14.382
12 HE3 LYS 1 1HE LYS 1 10.186 -8.295 -15.724
13 HZ1 LYS 1 2HZ LYS 1 11.567 -6.568 -16.068
14 HZ2 LYS 1 3HZ LYS 1 10.576 -5.451 -15.275
15 HZ3 LYS 1 1HZ LYS 1 10.237 -5.901 -16.871
16 H GLY 2 H GLY 2 8.644 -6.485 -11.946
17 HA2 GLY 2 2HA GLY 2 6.883 -6.073 -9.617
18 HA3 GLY 2 1HA GLY 2 8.271 -7.145 -9.505
19 H VAL 3 H VAL 3 7.154 -3.959 -9.224
20 HA VAL 3 HA VAL 3 9.721 -3.063 -8.283
21 HB VAL 3 HB VAL 3 8.458 -1.601 -10.591
22 HG11 VAL 3 1HG1 VAL 3 10.334 -0.106 -10.468
23 HG12 VAL 3 2HG1 VAL 3 11.062 -1.067 -9.181
24 HG13 VAL 3 3HG1 VAL 3 9.559 -0.189 -8.884
25 HG21 VAL 3 3HG2 VAL 3 9.499 -3.568 -11.466
26 HG22 VAL 3 1HG2 VAL 3 10.934 -3.312 -10.474
27 HG23 VAL 3 2HG2 VAL 3 10.567 -2.205 -11.798
28 H LYS 4 H LYS 4 9.286 -1.968 -6.526
29 HA LYS 4 HA LYS 4 6.909 -0.300 -6.392
30 HB2 LYS 4 2HB LYS 4 6.809 -1.003 -4.028
31 HB3 LYS 4 1HB LYS 4 6.500 -2.273 -5.174
32 HG2 LYS 4 2HG LYS 4 9.267 -1.936 -4.225
33 HG3 LYS 4 1HG LYS 4 8.098 -2.594 -3.092
34 HD2 LYS 4 2HD LYS 4 8.649 -3.686 -5.847
35 HD3 LYS 4 1HD LYS 4 9.296 -4.348 -4.348
36 HE2 LYS 4 2HE LYS 4 6.384 -4.161 -5.110
37 HE3 LYS 4 1HE LYS 4 7.364 -5.623 -5.086
38 HZ1 LYS 4 3HZ LYS 4 7.657 -5.326 -2.694
39 HZ2 LYS 4 1HZ LYS 4 6.021 -5.467 -3.102
40 HZ3 LYS 4 2HZ LYS 4 6.672 -3.951 -2.732
41 H ASP 5 H ASP 5 9.576 0.231 -6.969
42 HA ASP 5 HA ASP 5 10.372 1.959 -4.784
43 HB2 ASP 5 2HB ASP 5 11.882 1.162 -7.276
44 HB3 ASP 5 1HB ASP 5 12.496 2.249 -6.041
45 H ARG 6 H ARG 6 8.887 1.729 -7.703
46 HA ARG 6 HA ARG 6 9.181 4.347 -8.649
47 HB2 ARG 6 2HB ARG 6 8.777 2.427 -10.125
48 HB3 ARG 6 1HB ARG 6 7.219 2.196 -9.356
49 HG2 ARG 6 2HG ARG 6 7.508 4.855 -10.124
50 HG3 ARG 6 1HG ARG 6 7.822 3.846 -11.534
51 HD2 ARG 6 2HD ARG 6 5.679 2.703 -11.147
52 HD3 ARG 6 1HD ARG 6 5.394 3.721 -9.735
53 HE ARG 6 HE ARG 6 4.579 5.298 -11.154
54 HH11 ARG 6 1HH1 ARG 6 6.774 3.278 -12.970
55 HH12 ARG 6 2HH1 ARG 6 6.527 4.135 -14.454
56 HH21 ARG 6 1HH2 ARG 6 4.250 6.414 -13.106
57 HH22 ARG 6 2HH2 ARG 6 5.093 5.912 -14.532
58 H VAL 7 H VAL 7 7.147 2.571 -6.855
59 HA VAL 7 HA VAL 7 4.856 4.098 -6.713
60 HB VAL 7 HB VAL 7 4.335 2.960 -4.633
61 HG11 VAL 7 1HG1 VAL 7 5.528 1.428 -6.871
62 HG12 VAL 7 2HG1 VAL 7 3.865 1.467 -6.287
63 HG13 VAL 7 3HG1 VAL 7 5.088 0.554 -5.404
64 HG21 VAL 7 3HG2 VAL 7 6.333 1.328 -3.939
65 HG22 VAL 7 1HG2 VAL 7 6.112 2.935 -3.243
66 HG23 VAL 7 2HG2 VAL 7 7.262 2.698 -4.561
67 H LYS 8 H LYS 8 7.869 4.572 -5.339
68 HA LYS 8 HA LYS 8 7.404 6.317 -3.240
69 HB2 LYS 8 2HB LYS 8 9.622 5.826 -3.521
70 HB3 LYS 8 1HB LYS 8 9.528 5.831 -5.245
71 HG2 LYS 8 2HG LYS 8 9.462 8.359 -3.640
72 HG3 LYS 8 1HG LYS 8 10.958 7.597 -4.157
73 HD2 LYS 8 2HD LYS 8 8.811 8.813 -5.863
74 HD3 LYS 8 1HD LYS 8 10.516 9.224 -5.784
75 HE2 LYS 8 2HE LYS 8 9.407 6.621 -6.834
76 HE3 LYS 8 1HE LYS 8 9.949 7.975 -7.828
77 HZ1 LYS 8 3HZ LYS 8 12.103 7.491 -7.467
78 HZ2 LYS 8 1HZ LYS 8 11.511 5.939 -7.143
79 HZ3 LYS 8 2HZ LYS 8 11.857 6.995 -5.869
80 H GLY 9 H GLY 9 7.509 6.599 -6.601
81 HA2 GLY 9 2HA GLY 9 6.990 9.401 -6.824
82 HA3 GLY 9 1HA GLY 9 6.864 8.235 -8.116
83 H LYS 10 H LYS 10 5.151 7.147 -5.511
84 HA LYS 10 HA LYS 10 2.990 6.640 -5.359
85 HB2 LYS 10 2HB LYS 10 1.806 8.493 -4.511
86 HB3 LYS 10 1HB LYS 10 3.408 8.503 -3.931
87 HG2 LYS 10 2HG LYS 10 2.760 10.110 -6.327
88 HG3 LYS 10 1HG LYS 10 2.291 10.709 -4.722
89 HD2 LYS 10 2HD LYS 10 4.873 9.527 -4.719
90 HD3 LYS 10 1HD LYS 10 4.816 10.859 -5.875
91 HE2 LYS 10 2HE LYS 10 4.034 10.947 -2.963
92 HE3 LYS 10 1HE LYS 10 5.519 11.610 -3.643
93 HZ1 LYS 10 3HZ LYS 10 3.053 12.550 -4.851
94 HZ2 LYS 10 1HZ LYS 10 4.452 13.408 -4.437
95 HZ3 LYS 10 2HZ LYS 10 3.305 13.037 -3.251
96 H SER 11 H SER 11 3.916 7.684 -8.159
97 HA SER 11 HA SER 11 1.302 8.154 -9.317
98 HB2 SER 11 2HB SER 11 3.111 9.668 -10.039
99 HB3 SER 11 1HB SER 11 4.043 8.276 -10.590
100 HG SER 11 HG SER 11 2.927 8.280 -12.364
101 H ASP 12 H ASP 12 3.197 5.704 -8.472
102 HA ASP 12 HA ASP 12 3.410 3.845 -10.464
103 HB2 ASP 12 2HB ASP 12 3.742 3.850 -7.915
104 HB3 ASP 12 1HB ASP 12 2.095 3.227 -7.899
105 HA PRO 13 HA PRO 13 -0.926 3.697 -11.648
106 HB2 PRO 13 2HB PRO 13 -0.516 2.454 -14.032
107 HB3 PRO 13 1HB PRO 13 -0.344 4.184 -13.754
108 HG2 PRO 13 2HG PRO 13 1.752 2.111 -13.959
109 HG3 PRO 13 1HG PRO 13 1.776 3.798 -14.496
110 HD2 PRO 13 2HD PRO 13 2.953 2.869 -12.206
111 HD3 PRO 13 1HD PRO 13 2.500 4.540 -12.437
112 H TYR 14 H TYR 14 1.125 0.996 -11.680
113 HA TYR 14 HA TYR 14 -0.802 -1.035 -12.042
114 HB2 TYR 14 2HB TYR 14 1.433 -1.946 -10.418
115 HB3 TYR 14 1HB TYR 14 1.020 -2.390 -12.081
116 HD1 TYR 14 1HD TYR 14 2.144 0.604 -10.302
117 HD2 TYR 14 2HD TYR 14 2.755 -1.989 -13.582
118 HE1 TYR 14 1HE TYR 14 3.911 2.031 -11.047
119 HE2 TYR 14 2HE TYR 14 4.613 -0.573 -14.357
120 HH TYR 14 HH TYR 14 6.274 1.175 -13.031
121 H HIS 15 H HIS 15 0.697 0.232 -9.154
122 HA HIS 15 HA HIS 15 -0.970 -1.315 -7.445
123 HB2 HIS 15 2HB HIS 15 0.845 1.015 -6.912
124 HB3 HIS 15 1HB HIS 15 0.125 -0.000 -5.648
125 HD1 HIS 15 1HD HIS 15 3.035 -0.071 -5.467
126 HD2 HIS 15 2HD HIS 15 1.034 -2.448 -8.222
127 HE1 HIS 15 1HE HIS 15 4.665 -1.865 -6.136
128 HE2 HIS 15 2HE HIS 15 3.367 -3.392 -7.647
129 H ALA 16 H ALA 16 -0.990 1.595 -9.039
130 HA ALA 16 HA ALA 16 -2.883 3.114 -7.667
131 HB1 ALA 16 1HB ALA 16 -2.724 3.108 -10.632
132 HB2 ALA 16 2HB ALA 16 -1.229 3.462 -9.748
133 HB3 ALA 16 3HB ALA 16 -2.657 4.491 -9.517
134 H THR 17 H THR 17 -3.057 0.542 -9.902
135 HA THR 17 HA THR 17 -5.844 0.857 -10.457
136 HB THR 17 HB THR 17 -3.689 -0.046 -11.760
137 HG1 THR 17 1HG THR 17 -6.396 -0.333 -11.997
138 HG21 THR 17 3HG2 THR 17 -5.167 -2.590 -11.099
139 HG22 THR 17 1HG2 THR 17 -3.628 -2.146 -10.369
140 HG23 THR 17 2HG2 THR 17 -3.733 -2.397 -12.106
141 H SER 18 H SER 18 -3.694 -1.115 -8.786
142 HA SER 18 HA SER 18 -5.655 -2.877 -7.677
143 HB2 SER 18 2HB SER 18 -3.868 -3.747 -6.269
144 HB3 SER 18 1HB SER 18 -3.329 -3.637 -7.943
145 HG SER 18 HG SER 18 -1.803 -2.812 -6.402
146 H GLY 19 H GLY 19 -4.530 0.229 -6.949
147 HA2 GLY 19 2HA GLY 19 -5.152 0.179 -4.138
148 HA3 GLY 19 1HA GLY 19 -4.840 1.618 -5.105
149 H ALA 20 H ALA 20 -6.729 1.844 -6.883
150 HA ALA 20 HA ALA 20 -9.067 2.499 -5.468
151 HB1 ALA 20 1HB ALA 20 -9.986 2.158 -8.010
152 HB2 ALA 20 2HB ALA 20 -8.260 2.377 -8.296
153 HB3 ALA 20 3HB ALA 20 -9.174 3.613 -7.433
154 H LEU 21 H LEU 21 -7.841 -0.401 -6.822
155 HA LEU 21 HA LEU 21 -10.328 -1.829 -6.435
156 HB2 LEU 21 2HB LEU 21 -7.795 -2.693 -7.802
157 HB3 LEU 21 1HB LEU 21 -9.245 -3.668 -7.668
158 HG LEU 21 HG LEU 21 -9.004 -1.064 -9.176
159 HD11 LEU 21 1HD1 LEU 21 -9.700 -3.600 -10.516
160 HD12 LEU 21 2HD1 LEU 21 -8.029 -3.426 -9.979
161 HD13 LEU 21 3HD1 LEU 21 -8.729 -2.242 -11.084
162 HD21 LEU 21 3HD2 LEU 21 -11.303 -2.140 -10.028
163 HD22 LEU 21 1HD2 LEU 21 -11.213 -0.995 -8.689
164 HD23 LEU 21 2HD2 LEU 21 -11.308 -2.725 -8.364
165 H SER 22 H SER 22 -7.982 -0.959 -4.524
166 HA SER 22 HA SER 22 -6.544 -2.023 -3.039
167 HB2 SER 22 2HB SER 22 -9.362 -2.190 -1.995
168 HB3 SER 22 1HB SER 22 -7.900 -2.254 -1.036
169 HG SER 22 HG SER 22 -9.149 -0.121 -1.630
170 HA PRO 23 HA PRO 23 -7.983 -6.482 -2.005
171 HB2 PRO 23 2HB PRO 23 -10.138 -7.424 -3.425
172 HB3 PRO 23 1HB PRO 23 -10.210 -6.854 -1.748
173 HG2 PRO 23 2HG PRO 23 -10.808 -5.369 -4.280
174 HG3 PRO 23 1HG PRO 23 -11.677 -5.379 -2.749
175 HD2 PRO 23 2HD PRO 23 -10.107 -3.343 -3.353
176 HD3 PRO 23 1HD PRO 23 -10.138 -3.987 -1.697
177 H ALA 24 H ALA 24 -8.017 -4.994 -4.862
178 HA ALA 24 HA ALA 24 -7.659 -6.989 -6.782
179 HB1 ALA 24 1HB ALA 24 -7.853 -5.065 -7.909
180 HB2 ALA 24 2HB ALA 24 -6.102 -4.957 -7.722
181 HB3 ALA 24 3HB ALA 24 -7.163 -4.118 -6.590
182 H LYS 25 H LYS 25 -5.436 -5.609 -4.475
183 HA LYS 25 HA LYS 25 -3.242 -7.215 -5.584
184 HB2 LYS 25 2HB LYS 25 -1.822 -5.797 -4.039
185 HB3 LYS 25 1HB LYS 25 -2.576 -4.952 -5.385
186 HG2 LYS 25 2HG LYS 25 -4.274 -4.058 -3.945
187 HG3 LYS 25 1HG LYS 25 -3.678 -5.013 -2.587
188 HD2 LYS 25 2HD LYS 25 -2.151 -2.839 -4.020
189 HD3 LYS 25 1HD LYS 25 -2.943 -2.674 -2.452
190 HE2 LYS 25 2HE LYS 25 -0.664 -4.537 -3.118
191 HE3 LYS 25 1HE LYS 25 -0.555 -3.050 -2.177
192 HZ1 LYS 25 3HZ LYS 25 -1.867 -5.594 -1.439
193 HZ2 LYS 25 1HZ LYS 25 -2.245 -4.146 -0.651
194 HZ3 LYS 25 2HZ LYS 25 -0.665 -4.746 -0.604
195 H ASP 26 H ASP 26 -4.990 -6.509 -2.594
196 HA ASP 26 HA ASP 26 -3.620 -8.744 -1.278
197 HB2 ASP 26 2HB ASP 26 -4.576 -7.849 0.810
198 HB3 ASP 26 1HB ASP 26 -3.627 -6.635 -0.043
Start of MODEL 3
1 H1 LYS 1 1HT LYS 1 5.771 -8.133 -5.363
2 H2 LYS 1 2HT LYS 1 5.741 -9.706 -4.676
3 H3 LYS 1 3HT LYS 1 5.800 -9.513 -6.379
4 HA LYS 1 HA LYS 1 7.886 -8.607 -4.516
5 HB2 LYS 1 2HB LYS 1 9.130 -10.589 -5.339
6 HB3 LYS 1 1HB LYS 1 7.689 -11.022 -4.429
7 HG2 LYS 1 2HG LYS 1 6.490 -11.435 -6.516
8 HG3 LYS 1 1HG LYS 1 7.936 -11.002 -7.430
9 HD2 LYS 1 2HD LYS 1 9.148 -12.855 -6.380
10 HD3 LYS 1 1HD LYS 1 7.697 -13.288 -5.474
11 HE2 LYS 1 2HE LYS 1 6.514 -13.712 -7.573
12 HE3 LYS 1 1HE LYS 1 7.962 -13.274 -8.479
13 HZ1 LYS 1 2HZ LYS 1 8.234 -15.507 -8.409
14 HZ2 LYS 1 3HZ LYS 1 7.379 -15.700 -6.964
15 HZ3 LYS 1 1HZ LYS 1 8.977 -15.144 -6.935
16 H GLY 2 H GLY 2 7.229 -6.723 -6.146
17 HA2 GLY 2 2HA GLY 2 8.932 -7.037 -8.542
18 HA3 GLY 2 1HA GLY 2 7.509 -6.007 -8.488
19 H VAL 3 H VAL 3 7.592 -4.191 -6.899
20 HA VAL 3 HA VAL 3 9.935 -3.281 -5.711
21 HB VAL 3 HB VAL 3 10.838 -3.111 -7.952
22 HG11 VAL 3 1HG1 VAL 3 8.563 -1.226 -8.540
23 HG12 VAL 3 2HG1 VAL 3 8.704 -2.875 -9.150
24 HG13 VAL 3 3HG1 VAL 3 9.880 -1.653 -9.633
25 HG21 VAL 3 3HG2 VAL 3 11.192 -1.322 -6.104
26 HG22 VAL 3 1HG2 VAL 3 10.260 -0.283 -7.183
27 HG23 VAL 3 2HG2 VAL 3 11.770 -1.005 -7.740
28 H LYS 4 H LYS 4 9.398 -1.733 -4.349
29 HA LYS 4 HA LYS 4 6.977 -0.170 -4.821
30 HB2 LYS 4 2HB LYS 4 6.754 -0.253 -2.366
31 HB3 LYS 4 1HB LYS 4 6.605 -1.798 -3.152
32 HG2 LYS 4 2HG LYS 4 9.281 -1.039 -2.207
33 HG3 LYS 4 1HG LYS 4 8.084 -1.417 -0.978
34 HD2 LYS 4 2HD LYS 4 8.802 -3.209 -3.293
35 HD3 LYS 4 1HD LYS 4 9.438 -3.377 -1.656
36 HE2 LYS 4 2HE LYS 4 6.541 -3.582 -2.476
37 HE3 LYS 4 1HE LYS 4 7.596 -4.923 -2.037
38 HZ1 LYS 4 3HZ LYS 4 7.820 -3.939 0.180
39 HZ2 LYS 4 1HZ LYS 4 6.210 -4.312 -0.182
40 HZ3 LYS 4 2HZ LYS 4 6.742 -2.709 -0.252
41 H ASP 5 H ASP 5 9.628 0.354 -5.407
42 HA ASP 5 HA ASP 5 10.205 2.659 -3.742
43 HB2 ASP 5 2HB ASP 5 11.941 1.144 -5.689
44 HB3 ASP 5 1HB ASP 5 12.415 2.680 -4.984
45 H ARG 6 H ARG 6 8.904 1.544 -6.498
46 HA ARG 6 HA ARG 6 9.243 3.790 -8.174
47 HB2 ARG 6 2HB ARG 6 8.935 1.880 -9.382
48 HB3 ARG 6 1HB ARG 6 7.799 1.229 -8.236
49 HG2 ARG 6 2HG ARG 6 6.157 2.866 -8.995
50 HG3 ARG 6 1HG ARG 6 7.279 3.382 -10.259
51 HD2 ARG 6 2HD ARG 6 6.578 0.507 -9.970
52 HD3 ARG 6 1HD ARG 6 5.433 1.594 -10.745
53 HE ARG 6 HE ARG 6 6.818 1.720 -12.574
54 HH11 ARG 6 1HH1 ARG 6 8.499 0.087 -9.986
55 HH12 ARG 6 2HH1 ARG 6 9.893 -0.258 -10.950
56 HH21 ARG 6 1HH2 ARG 6 8.642 1.246 -13.839
57 HH22 ARG 6 2HH2 ARG 6 9.972 0.389 -13.135
58 H VAL 7 H VAL 7 7.027 2.414 -6.238
59 HA VAL 7 HA VAL 7 4.833 4.092 -6.578
60 HB VAL 7 HB VAL 7 4.207 3.354 -4.201
61 HG11 VAL 7 1HG1 VAL 7 3.467 2.293 -6.358
62 HG12 VAL 7 2HG1 VAL 7 3.470 1.232 -4.950
63 HG13 VAL 7 3HG1 VAL 7 4.773 1.130 -6.135
64 HG21 VAL 7 3HG2 VAL 7 5.876 1.100 -4.120
65 HG22 VAL 7 1HG2 VAL 7 5.790 2.430 -2.965
66 HG23 VAL 7 2HG2 VAL 7 6.915 2.511 -4.320
67 H LYS 8 H LYS 8 7.721 4.574 -4.978
68 HA LYS 8 HA LYS 8 7.210 6.516 -3.092
69 HB2 LYS 8 2HB LYS 8 9.439 6.213 -3.172
70 HB3 LYS 8 1HB LYS 8 9.412 5.711 -4.823
71 HG2 LYS 8 2HG LYS 8 9.000 8.519 -4.757
72 HG3 LYS 8 1HG LYS 8 10.366 8.129 -3.725
73 HD2 LYS 8 2HD LYS 8 11.041 8.563 -6.048
74 HD3 LYS 8 1HD LYS 8 11.443 6.927 -5.528
75 HE2 LYS 8 2HE LYS 8 9.387 6.119 -6.652
76 HE3 LYS 8 1HE LYS 8 9.096 7.759 -7.229
77 HZ1 LYS 8 3HZ LYS 8 10.421 5.933 -8.624
78 HZ2 LYS 8 1HZ LYS 8 11.717 6.656 -7.812
79 HZ3 LYS 8 2HZ LYS 8 10.696 7.595 -8.781
80 H GLY 9 H GLY 9 7.485 6.594 -6.468
81 HA2 GLY 9 2HA GLY 9 7.023 9.376 -6.881
82 HA3 GLY 9 1HA GLY 9 6.904 8.132 -8.100
83 H LYS 10 H LYS 10 5.075 7.211 -5.523
84 HA LYS 10 HA LYS 10 2.885 6.760 -5.456
85 HB2 LYS 10 2HB LYS 10 1.739 8.646 -4.661
86 HB3 LYS 10 1HB LYS 10 3.329 8.642 -4.045
87 HG2 LYS 10 2HG LYS 10 2.752 10.210 -6.486
88 HG3 LYS 10 1HG LYS 10 2.270 10.849 -4.901
89 HD2 LYS 10 2HD LYS 10 4.825 9.622 -4.830
90 HD3 LYS 10 1HD LYS 10 4.816 10.927 -6.017
91 HE2 LYS 10 2HE LYS 10 3.862 12.401 -4.244
92 HE3 LYS 10 1HE LYS 10 4.047 11.067 -3.106
93 HZ1 LYS 10 3HZ LYS 10 5.977 12.188 -2.733
94 HZ2 LYS 10 1HZ LYS 10 6.097 12.773 -4.317
95 HZ3 LYS 10 2HZ LYS 10 6.505 11.168 -3.974
96 H SER 11 H SER 11 3.951 7.663 -8.225
97 HA SER 11 HA SER 11 1.438 8.301 -9.505
98 HB2 SER 11 2HB SER 11 3.398 9.639 -10.168
99 HB3 SER 11 1HB SER 11 4.229 8.157 -10.647
100 HG SER 11 HG SER 11 2.625 7.856 -12.237
101 H ASP 12 H ASP 12 3.229 5.739 -8.622
102 HA ASP 12 HA ASP 12 3.285 3.860 -10.606
103 HB2 ASP 12 2HB ASP 12 3.794 3.828 -8.136
104 HB3 ASP 12 1HB ASP 12 2.083 3.456 -7.936
105 HA PRO 13 HA PRO 13 -1.107 3.886 -11.594
106 HB2 PRO 13 2HB PRO 13 -0.863 2.788 -14.056
107 HB3 PRO 13 1HB PRO 13 -0.560 4.484 -13.690
108 HG2 PRO 13 2HG PRO 13 1.386 2.279 -14.059
109 HG3 PRO 13 1HG PRO 13 1.488 3.972 -14.576
110 HD2 PRO 13 2HD PRO 13 2.717 2.950 -12.355
111 HD3 PRO 13 1HD PRO 13 2.321 4.646 -12.533
112 H TYR 14 H TYR 14 0.860 1.131 -11.876
113 HA TYR 14 HA TYR 14 -1.169 -0.805 -12.244
114 HB2 TYR 14 2HB TYR 14 1.116 -1.944 -10.876
115 HB3 TYR 14 1HB TYR 14 0.604 -2.187 -12.553
116 HD1 TYR 14 1HD TYR 14 1.884 0.585 -10.564
117 HD2 TYR 14 2HD TYR 14 2.344 -1.735 -14.056
118 HE1 TYR 14 1HE TYR 14 3.676 2.022 -11.214
119 HE2 TYR 14 2HE TYR 14 4.227 -0.308 -14.755
120 HH TYR 14 HH TYR 14 4.839 2.392 -14.064
121 H HIS 15 H HIS 15 0.568 0.211 -9.391
122 HA HIS 15 HA HIS 15 -1.032 -1.407 -7.687
123 HB2 HIS 15 2HB HIS 15 0.912 0.813 -7.129
124 HB3 HIS 15 1HB HIS 15 0.224 -0.241 -5.879
125 HD1 HIS 15 1HD HIS 15 3.175 -0.408 -5.988
126 HD2 HIS 15 2HD HIS 15 0.792 -2.638 -8.554
127 HE1 HIS 15 1HE HIS 15 4.636 -2.270 -6.833
128 HE2 HIS 15 2HE HIS 15 3.138 -3.678 -8.272
129 H ALA 16 H ALA 16 -1.069 1.605 -9.078
130 HA ALA 16 HA ALA 16 -2.826 3.088 -7.500
131 HB1 ALA 16 1HB ALA 16 -2.699 4.548 -9.291
132 HB2 ALA 16 2HB ALA 16 -2.902 3.226 -10.464
133 HB3 ALA 16 3HB ALA 16 -1.330 3.495 -9.696
134 H THR 17 H THR 17 -3.205 0.670 -9.887
135 HA THR 17 HA THR 17 -6.010 1.034 -10.237
136 HB THR 17 HB THR 17 -3.949 0.125 -11.686
137 HG1 THR 17 1HG THR 17 -6.675 -0.091 -11.785
138 HG21 THR 17 3HG2 THR 17 -5.467 -2.400 -11.044
139 HG22 THR 17 1HG2 THR 17 -3.885 -2.028 -10.371
140 HG23 THR 17 2HG2 THR 17 -4.075 -2.209 -12.110
141 H SER 18 H SER 18 -3.811 -1.049 -8.768
142 HA SER 18 HA SER 18 -5.707 -2.836 -7.617
143 HB2 SER 18 2HB SER 18 -3.865 -3.712 -6.282
144 HB3 SER 18 1HB SER 18 -3.372 -3.540 -7.964
145 HG SER 18 HG SER 18 -1.875 -2.728 -6.307
146 H GLY 19 H GLY 19 -4.565 0.260 -6.821
147 HA2 GLY 19 2HA GLY 19 -5.140 0.129 -4.005
148 HA3 GLY 19 1HA GLY 19 -4.855 1.597 -4.935
149 H ALA 20 H ALA 20 -6.786 1.853 -6.674
150 HA ALA 20 HA ALA 20 -9.096 2.461 -5.186
151 HB1 ALA 20 1HB ALA 20 -10.190 2.835 -7.321
152 HB2 ALA 20 2HB ALA 20 -8.925 1.937 -8.160
153 HB3 ALA 20 3HB ALA 20 -8.549 3.477 -7.386
154 H LEU 21 H LEU 21 -7.880 -0.396 -6.618
155 HA LEU 21 HA LEU 21 -10.353 -1.848 -6.241
156 HB2 LEU 21 2HB LEU 21 -7.833 -2.642 -7.668
157 HB3 LEU 21 1HB LEU 21 -9.256 -3.655 -7.518
158 HG LEU 21 HG LEU 21 -9.105 -1.023 -8.989
159 HD11 LEU 21 1HD1 LEU 21 -9.602 -3.747 -10.147
160 HD12 LEU 21 2HD1 LEU 21 -7.979 -3.075 -9.991
161 HD13 LEU 21 3HD1 LEU 21 -9.182 -2.252 -10.985
162 HD21 LEU 21 3HD2 LEU 21 -11.361 -2.757 -8.170
163 HD22 LEU 21 1HD2 LEU 21 -11.406 -2.094 -9.804
164 HD23 LEU 21 2HD2 LEU 21 -11.301 -1.012 -8.416
165 H SER 22 H SER 22 -7.997 -0.998 -4.340
166 HA SER 22 HA SER 22 -6.535 -2.079 -2.892
167 HB2 SER 22 2HB SER 22 -9.330 -2.335 -1.804
168 HB3 SER 22 1HB SER 22 -7.844 -2.341 -0.880
169 HG SER 22 HG SER 22 -8.431 -0.271 -0.812
170 HA PRO 23 HA PRO 23 -7.879 -6.585 -1.984
171 HB2 PRO 23 2HB PRO 23 -10.065 -7.535 -3.326
172 HB3 PRO 23 1HB PRO 23 -10.101 -6.958 -1.650
173 HG2 PRO 23 2HG PRO 23 -10.746 -5.474 -4.174
174 HG3 PRO 23 1HG PRO 23 -11.614 -5.519 -2.645
175 HD2 PRO 23 2HD PRO 23 -10.089 -3.446 -3.208
176 HD3 PRO 23 1HD PRO 23 -10.089 -4.129 -1.567
177 H ALA 24 H ALA 24 -7.941 -4.995 -4.759
178 HA ALA 24 HA ALA 24 -7.713 -6.881 -6.791
179 HB1 ALA 24 1HB ALA 24 -7.788 -4.928 -7.855
180 HB2 ALA 24 2HB ALA 24 -6.046 -4.842 -7.599
181 HB3 ALA 24 3HB ALA 24 -7.145 -4.059 -6.462
182 H LYS 25 H LYS 25 -5.221 -5.564 -4.662
183 HA LYS 25 HA LYS 25 -3.060 -6.880 -5.974
184 HB2 LYS 25 2HB LYS 25 -1.802 -6.320 -3.859
185 HB3 LYS 25 1HB LYS 25 -2.518 -4.951 -4.698
186 HG2 LYS 25 2HG LYS 25 -4.249 -4.762 -3.110
187 HG3 LYS 25 1HG LYS 25 -3.860 -6.320 -2.385
188 HD2 LYS 25 2HD LYS 25 -1.707 -5.414 -1.629
189 HD3 LYS 25 1HD LYS 25 -2.112 -3.858 -2.356
190 HE2 LYS 25 2HE LYS 25 -2.534 -3.839 0.045
191 HE3 LYS 25 1HE LYS 25 -4.034 -3.657 -0.862
192 HZ1 LYS 25 3HZ LYS 25 -4.819 -5.608 -0.119
193 HZ2 LYS 25 1HZ LYS 25 -3.702 -5.393 1.134
194 HZ3 LYS 25 2HZ LYS 25 -3.317 -6.381 -0.184
195 H ASP 26 H ASP 26 -5.106 -7.656 -3.207
196 HA ASP 26 HA ASP 26 -3.759 -10.263 -2.994
197 HB2 ASP 26 2HB ASP 26 -4.788 -10.420 -0.757
198 HB3 ASP 26 1HB ASP 26 -3.779 -8.985 -0.915
Start of MODEL 4
1 H1 LYS 1 1HT LYS 1 10.045 -8.120 -14.377
2 H2 LYS 1 2HT LYS 1 10.758 -8.783 -12.964
3 H3 LYS 1 3HT LYS 1 11.734 -8.399 -14.323
4 HA LYS 1 HA LYS 1 11.863 -6.815 -12.473
5 HB2 LYS 1 2HB LYS 1 11.745 -4.876 -13.985
6 HB3 LYS 1 1HB LYS 1 12.505 -6.259 -14.761
7 HG2 LYS 1 2HG LYS 1 10.421 -6.753 -15.932
8 HG3 LYS 1 1HG LYS 1 9.654 -5.369 -15.150
9 HD2 LYS 1 2HD LYS 1 11.275 -3.874 -16.218
10 HD3 LYS 1 1HD LYS 1 12.035 -5.260 -17.002
11 HE2 LYS 1 2HE LYS 1 10.526 -4.102 -18.531
12 HE3 LYS 1 1HE LYS 1 9.955 -5.736 -18.189
13 HZ1 LYS 1 2HZ LYS 1 8.281 -4.917 -16.782
14 HZ2 LYS 1 3HZ LYS 1 8.234 -3.920 -18.148
15 HZ3 LYS 1 1HZ LYS 1 8.955 -3.367 -16.721
16 H GLY 2 H GLY 2 10.829 -5.527 -11.043
17 HA2 GLY 2 2HA GLY 2 7.912 -5.206 -11.398
18 HA3 GLY 2 1HA GLY 2 8.648 -5.545 -9.840
19 H VAL 3 H VAL 3 10.888 -3.749 -10.231
20 HA VAL 3 HA VAL 3 11.417 -1.658 -9.517
21 HB VAL 3 HB VAL 3 11.340 -1.187 -11.827
22 HG11 VAL 3 1HG1 VAL 3 9.217 -2.053 -12.486
23 HG12 VAL 3 2HG1 VAL 3 9.255 -0.346 -12.928
24 HG13 VAL 3 3HG1 VAL 3 8.367 -0.867 -11.497
25 HG21 VAL 3 3HG2 VAL 3 10.768 1.185 -11.853
26 HG22 VAL 3 1HG2 VAL 3 11.614 0.739 -10.371
27 HG23 VAL 3 2HG2 VAL 3 9.867 0.982 -10.351
28 H LYS 4 H LYS 4 10.893 -0.883 -7.658
29 HA LYS 4 HA LYS 4 8.173 0.046 -7.164
30 HB2 LYS 4 2HB LYS 4 8.587 -0.707 -4.848
31 HB3 LYS 4 1HB LYS 4 8.497 -1.980 -6.028
32 HG2 LYS 4 2HG LYS 4 11.161 -0.899 -5.404
33 HG3 LYS 4 1HG LYS 4 10.385 -1.882 -4.174
34 HD2 LYS 4 2HD LYS 4 10.822 -2.725 -7.036
35 HD3 LYS 4 1HD LYS 4 11.844 -3.195 -5.679
36 HE2 LYS 4 2HE LYS 4 9.914 -4.278 -4.617
37 HE3 LYS 4 1HE LYS 4 8.911 -3.827 -5.996
38 HZ1 LYS 4 3HZ LYS 4 10.903 -5.088 -7.225
39 HZ2 LYS 4 1HZ LYS 4 9.492 -5.865 -6.703
40 HZ3 LYS 4 2HZ LYS 4 10.894 -5.931 -5.759
41 H ASP 5 H ASP 5 10.492 1.353 -8.001
42 HA ASP 5 HA ASP 5 11.068 3.167 -5.815
43 HB2 ASP 5 2HB ASP 5 12.849 4.051 -7.242
44 HB3 ASP 5 1HB ASP 5 13.017 2.316 -7.087
45 H ARG 6 H ARG 6 9.333 2.607 -8.490
46 HA ARG 6 HA ARG 6 8.750 5.206 -9.323
47 HB2 ARG 6 2HB ARG 6 8.831 3.437 -10.873
48 HB3 ARG 6 1HB ARG 6 7.762 2.472 -9.889
49 HG2 ARG 6 2HG ARG 6 6.055 4.253 -10.262
50 HG3 ARG 6 1HG ARG 6 7.073 4.817 -11.590
51 HD2 ARG 6 2HD ARG 6 6.110 1.992 -11.251
52 HD3 ARG 6 1HD ARG 6 5.283 3.187 -12.255
53 HE ARG 6 HE ARG 6 7.553 1.665 -12.971
54 HH11 ARG 6 1HH1 ARG 6 6.209 4.870 -13.309
55 HH12 ARG 6 2HH1 ARG 6 7.084 5.217 -14.761
56 HH21 ARG 6 1HH2 ARG 6 8.697 2.119 -14.885
57 HH22 ARG 6 2HH2 ARG 6 8.494 3.655 -15.658
58 H VAL 7 H VAL 7 7.421 2.790 -7.585
59 HA VAL 7 HA VAL 7 4.876 3.797 -7.083
60 HB VAL 7 HB VAL 7 4.893 2.290 -5.071
61 HG11 VAL 7 1HG1 VAL 7 5.723 1.228 -7.758
62 HG12 VAL 7 2HG1 VAL 7 4.093 1.353 -7.096
63 HG13 VAL 7 3HG1 VAL 7 5.230 0.185 -6.424
64 HG21 VAL 7 3HG2 VAL 7 7.689 2.554 -5.535
65 HG22 VAL 7 1HG2 VAL 7 7.237 0.852 -5.656
66 HG23 VAL 7 2HG2 VAL 7 6.859 1.762 -4.193
67 H LYS 8 H LYS 8 7.847 4.547 -5.802
68 HA LYS 8 HA LYS 8 7.043 5.830 -3.416
69 HB2 LYS 8 2HB LYS 8 9.341 6.754 -5.087
70 HB3 LYS 8 1HB LYS 8 9.214 6.626 -3.357
71 HG2 LYS 8 2HG LYS 8 9.680 4.458 -5.321
72 HG3 LYS 8 1HG LYS 8 10.690 4.960 -3.996
73 HD2 LYS 8 2HD LYS 8 8.078 3.496 -3.889
74 HD3 LYS 8 1HD LYS 8 9.654 2.913 -3.363
75 HE2 LYS 8 2HE LYS 8 8.069 5.148 -2.116
76 HE3 LYS 8 1HE LYS 8 8.242 3.520 -1.471
77 HZ1 LYS 8 3HZ LYS 8 9.747 5.019 -0.359
78 HZ2 LYS 8 1HZ LYS 8 10.424 5.503 -1.832
79 HZ3 LYS 8 2HZ LYS 8 10.639 3.917 -1.282
80 H GLY 9 H GLY 9 7.403 6.446 -6.648
81 HA2 GLY 9 2HA GLY 9 6.844 9.249 -6.719
82 HA3 GLY 9 1HA GLY 9 6.762 8.160 -8.080
83 H LYS 10 H LYS 10 4.952 6.819 -5.690
84 HA LYS 10 HA LYS 10 2.783 6.314 -5.666
85 HB2 LYS 10 2HB LYS 10 1.576 8.064 -4.667
86 HB3 LYS 10 1HB LYS 10 3.155 8.011 -4.030
87 HG2 LYS 10 2HG LYS 10 2.596 9.865 -6.260
88 HG3 LYS 10 1HG LYS 10 2.056 10.289 -4.624
89 HD2 LYS 10 2HD LYS 10 4.638 9.116 -4.635
90 HD3 LYS 10 1HD LYS 10 4.628 10.561 -5.643
91 HE2 LYS 10 2HE LYS 10 3.592 11.773 -3.721
92 HE3 LYS 10 1HE LYS 10 3.785 10.307 -2.760
93 HZ1 LYS 10 3HZ LYS 10 6.184 11.282 -4.075
94 HZ2 LYS 10 1HZ LYS 10 5.982 10.649 -2.518
95 HZ3 LYS 10 2HZ LYS 10 5.585 12.263 -2.834
96 H SER 11 H SER 11 3.839 7.540 -8.296
97 HA SER 11 HA SER 11 1.322 8.276 -9.520
98 HB2 SER 11 2HB SER 11 3.272 9.699 -10.037
99 HB3 SER 11 1HB SER 11 4.123 8.282 -10.653
100 HG SER 11 HG SER 11 2.596 8.133 -12.304
101 H ASP 12 H ASP 12 3.177 5.695 -8.878
102 HA ASP 12 HA ASP 12 3.253 3.986 -11.010
103 HB2 ASP 12 2HB ASP 12 3.724 3.808 -8.499
104 HB3 ASP 12 1HB ASP 12 2.054 3.247 -8.419
105 HA PRO 13 HA PRO 13 -1.145 4.021 -11.975
106 HB2 PRO 13 2HB PRO 13 -0.882 2.883 -14.441
107 HB3 PRO 13 1HB PRO 13 -0.677 4.594 -14.087
108 HG2 PRO 13 2HG PRO 13 1.379 2.520 -14.518
109 HG3 PRO 13 1HG PRO 13 1.401 4.239 -14.944
110 HD2 PRO 13 2HD PRO 13 2.680 3.144 -12.784
111 HD3 PRO 13 1HD PRO 13 2.247 4.833 -12.886
112 H TYR 14 H TYR 14 0.812 1.265 -12.241
113 HA TYR 14 HA TYR 14 -1.215 -0.678 -12.604
114 HB2 TYR 14 2HB TYR 14 1.111 -1.746 -11.214
115 HB3 TYR 14 1HB TYR 14 0.549 -2.088 -12.859
116 HD1 TYR 14 1HD TYR 14 1.941 0.733 -10.993
117 HD2 TYR 14 2HD TYR 14 2.120 -1.600 -14.509
118 HE1 TYR 14 1HE TYR 14 3.684 2.163 -11.797
119 HE2 TYR 14 2HE TYR 14 3.944 -0.180 -15.359
120 HH TYR 14 HH TYR 14 4.605 2.745 -14.346
121 H HIS 15 H HIS 15 0.534 0.367 -9.765
122 HA HIS 15 HA HIS 15 -1.064 -1.231 -8.033
123 HB2 HIS 15 2HB HIS 15 0.878 0.999 -7.510
124 HB3 HIS 15 1HB HIS 15 0.184 -0.028 -6.241
125 HD1 HIS 15 1HD HIS 15 3.136 -0.174 -6.343
126 HD2 HIS 15 2HD HIS 15 0.769 -2.490 -8.847
127 HE1 HIS 15 1HE HIS 15 4.615 -2.038 -7.153
128 HE2 HIS 15 2HE HIS 15 3.186 -3.387 -8.710
129 H ALA 16 H ALA 16 -1.095 1.764 -9.460
130 HA ALA 16 HA ALA 16 -2.842 3.273 -7.898
131 HB1 ALA 16 1HB ALA 16 -2.908 3.371 -10.866
132 HB2 ALA 16 2HB ALA 16 -1.340 3.654 -10.089
133 HB3 ALA 16 3HB ALA 16 -2.717 4.709 -9.713
134 H THR 17 H THR 17 -3.239 0.819 -10.243
135 HA THR 17 HA THR 17 -6.048 1.192 -10.577
136 HB THR 17 HB THR 17 -4.002 0.272 -12.043
137 HG1 THR 17 1HG THR 17 -6.728 0.062 -12.112
138 HG21 THR 17 3HG2 THR 17 -3.936 -1.873 -10.703
139 HG22 THR 17 1HG2 THR 17 -4.123 -2.062 -12.444
140 HG23 THR 17 2HG2 THR 17 -5.515 -2.250 -11.380
141 H SER 18 H SER 18 -3.836 -0.878 -9.114
142 HA SER 18 HA SER 18 -5.717 -2.657 -7.933
143 HB2 SER 18 2HB SER 18 -3.861 -3.483 -6.565
144 HB3 SER 18 1HB SER 18 -3.394 -3.377 -8.260
145 HG SER 18 HG SER 18 -2.513 -1.931 -6.067
146 H GLY 19 H GLY 19 -4.597 0.460 -7.182
147 HA2 GLY 19 2HA GLY 19 -5.163 0.373 -4.365
148 HA3 GLY 19 1HA GLY 19 -4.917 1.829 -5.327
149 H ALA 20 H ALA 20 -6.864 1.968 -7.076
150 HA ALA 20 HA ALA 20 -9.181 2.573 -5.599
151 HB1 ALA 20 1HB ALA 20 -10.183 3.120 -7.627
152 HB2 ALA 20 2HB ALA 20 -9.320 1.860 -8.508
153 HB3 ALA 20 3HB ALA 20 -8.470 3.317 -7.997
154 H LEU 21 H LEU 21 -7.899 -0.298 -6.960
155 HA LEU 21 HA LEU 21 -10.328 -1.804 -6.513
156 HB2 LEU 21 2HB LEU 21 -7.780 -2.594 -7.897
157 HB3 LEU 21 1HB LEU 21 -9.186 -3.629 -7.721
158 HG LEU 21 HG LEU 21 -9.078 -1.046 -9.283
159 HD11 LEU 21 1HD1 LEU 21 -8.052 -2.442 -10.735
160 HD12 LEU 21 2HD1 LEU 21 -9.713 -2.929 -11.074
161 HD13 LEU 21 3HD1 LEU 21 -8.715 -3.892 -9.984
162 HD21 LEU 21 3HD2 LEU 21 -11.270 -1.438 -8.253
163 HD22 LEU 21 1HD2 LEU 21 -11.319 -3.043 -8.984
164 HD23 LEU 21 2HD2 LEU 21 -11.328 -1.607 -10.008
165 H SER 22 H SER 22 -7.993 -0.821 -4.645
166 HA SER 22 HA SER 22 -6.500 -1.817 -3.161
167 HB2 SER 22 2HB SER 22 -9.294 -2.038 -2.067
168 HB3 SER 22 1HB SER 22 -7.814 -2.024 -1.135
169 HG SER 22 HG SER 22 -7.418 0.051 -1.768
170 HA PRO 23 HA PRO 23 -7.822 -6.282 -2.005
171 HB2 PRO 23 2HB PRO 23 -9.956 -7.312 -3.397
172 HB3 PRO 23 1HB PRO 23 -10.038 -6.710 -1.732
173 HG2 PRO 23 2HG PRO 23 -10.683 -5.295 -4.291
174 HG3 PRO 23 1HG PRO 23 -11.545 -5.295 -2.756
175 HD2 PRO 23 2HD PRO 23 -10.031 -3.231 -3.412
176 HD3 PRO 23 1HD PRO 23 -10.038 -3.841 -1.743
177 H ALA 24 H ALA 24 -7.917 -4.865 -4.898
178 HA ALA 24 HA ALA 24 -7.487 -6.914 -6.758
179 HB1 ALA 24 1HB ALA 24 -7.148 -4.014 -6.671
180 HB2 ALA 24 2HB ALA 24 -7.799 -5.042 -7.948
181 HB3 ALA 24 3HB ALA 24 -6.055 -4.834 -7.788
182 H LYS 25 H LYS 25 -5.284 -5.220 -4.619
183 HA LYS 25 HA LYS 25 -3.015 -6.746 -5.664
184 HB2 LYS 25 2HB LYS 25 -1.680 -5.216 -4.162
185 HB3 LYS 25 1HB LYS 25 -2.524 -4.428 -5.488
186 HG2 LYS 25 2HG LYS 25 -4.240 -3.646 -4.013
187 HG3 LYS 25 1HG LYS 25 -3.569 -4.573 -2.671
188 HD2 LYS 25 2HD LYS 25 -1.531 -3.214 -2.760
189 HD3 LYS 25 1HD LYS 25 -2.205 -2.293 -4.107
190 HE2 LYS 25 2HE LYS 25 -4.036 -1.537 -2.673
191 HE3 LYS 25 1HE LYS 25 -3.372 -2.465 -1.329
192 HZ1 LYS 25 3HZ LYS 25 -2.395 -0.514 -0.851
193 HZ2 LYS 25 1HZ LYS 25 -2.507 0.074 -2.433
194 HZ3 LYS 25 2HZ LYS 25 -1.263 -0.992 -2.012
195 H ASP 26 H ASP 26 -4.808 -6.129 -2.682
196 HA ASP 26 HA ASP 26 -4.033 -8.715 -1.658
197 HB2 ASP 26 2HB ASP 26 -2.145 -7.323 -0.929
198 HB3 ASP 26 1HB ASP 26 -3.262 -6.197 -0.164
Start of MODEL 5
1 H1 LYS 1 1HT LYS 1 0.272 -10.227 -3.380
2 H2 LYS 1 2HT LYS 1 0.808 -10.529 -4.983
3 H3 LYS 1 3HT LYS 1 0.187 -8.986 -4.560
4 HA LYS 1 HA LYS 1 2.576 -10.176 -3.331
5 HB2 LYS 1 2HB LYS 1 2.820 -9.916 -5.787
6 HB3 LYS 1 1HB LYS 1 2.379 -8.221 -5.632
7 HG2 LYS 1 2HG LYS 1 4.781 -8.483 -5.848
8 HG3 LYS 1 1HG LYS 1 4.362 -7.822 -4.267
9 HD2 LYS 1 2HD LYS 1 6.089 -9.533 -4.066
10 HD3 LYS 1 1HD LYS 1 4.597 -10.051 -3.277
11 HE2 LYS 1 2HE LYS 1 4.026 -11.394 -5.241
12 HE3 LYS 1 1HE LYS 1 5.513 -10.873 -6.031
13 HZ1 LYS 1 2HZ LYS 1 6.149 -12.870 -5.154
14 HZ2 LYS 1 3HZ LYS 1 5.150 -12.737 -3.795
15 HZ3 LYS 1 1HZ LYS 1 6.586 -11.847 -3.881
16 H GLY 2 H GLY 2 3.936 -8.412 -2.402
17 HA2 GLY 2 2HA GLY 2 2.282 -6.132 -1.515
18 HA3 GLY 2 1HA GLY 2 3.257 -7.055 -0.382
19 H VAL 3 H VAL 3 3.235 -4.584 -2.788
20 HA VAL 3 HA VAL 3 5.808 -3.644 -1.902
21 HB VAL 3 HB VAL 3 5.466 -4.288 -4.819
22 HG11 VAL 3 1HG1 VAL 3 7.944 -3.382 -3.386
23 HG12 VAL 3 2HG1 VAL 3 6.825 -2.276 -4.187
24 HG13 VAL 3 3HG1 VAL 3 7.677 -3.503 -5.126
25 HG21 VAL 3 3HG2 VAL 3 5.778 -6.363 -3.666
26 HG22 VAL 3 1HG2 VAL 3 7.094 -5.686 -2.706
27 HG23 VAL 3 2HG2 VAL 3 7.303 -5.935 -4.440
28 H LYS 4 H LYS 4 5.536 -1.559 -1.674
29 HA LYS 4 HA LYS 4 4.067 -0.028 -3.643
30 HB2 LYS 4 2HB LYS 4 3.124 1.218 -1.741
31 HB3 LYS 4 1HB LYS 4 2.581 -0.424 -1.853
32 HG2 LYS 4 2HG LYS 4 4.883 0.246 -0.115
33 HG3 LYS 4 1HG LYS 4 3.254 0.596 0.439
34 HD2 LYS 4 2HD LYS 4 4.164 -2.124 -0.488
35 HD3 LYS 4 1HD LYS 4 4.162 -1.608 1.194
36 HE2 LYS 4 2HE LYS 4 2.165 -2.794 0.947
37 HE3 LYS 4 1HE LYS 4 1.685 -1.102 0.856
38 HZ1 LYS 4 3HZ LYS 4 1.030 -1.317 -1.260
39 HZ2 LYS 4 1HZ LYS 4 0.956 -2.970 -0.907
40 HZ3 LYS 4 2HZ LYS 4 2.315 -2.334 -1.685
41 H ASP 5 H ASP 5 6.794 -0.522 -2.872
42 HA ASP 5 HA ASP 5 7.723 2.120 -2.147
43 HB2 ASP 5 2HB ASP 5 9.230 -0.475 -2.507
44 HB3 ASP 5 1HB ASP 5 9.982 1.056 -2.087
45 H ARG 6 H ARG 6 6.944 0.176 -4.640
46 HA ARG 6 HA ARG 6 8.686 1.109 -6.609
47 HB2 ARG 6 2HB ARG 6 7.635 -1.088 -6.757
48 HB3 ARG 6 1HB ARG 6 6.062 -0.333 -6.710
49 HG2 ARG 6 2HG ARG 6 7.006 0.934 -8.751
50 HG3 ARG 6 1HG ARG 6 7.991 -0.511 -8.935
51 HD2 ARG 6 2HD ARG 6 5.750 -1.778 -8.676
52 HD3 ARG 6 1HD ARG 6 4.995 -0.219 -9.024
53 HE ARG 6 HE ARG 6 5.468 -0.584 -11.210
54 HH11 ARG 6 1HH1 ARG 6 7.766 -2.403 -9.314
55 HH12 ARG 6 2HH1 ARG 6 8.567 -3.069 -10.696
56 HH21 ARG 6 1HH2 ARG 6 6.516 -1.462 -13.027
57 HH22 ARG 6 2HH2 ARG 6 7.857 -2.535 -12.807
58 H VAL 7 H VAL 7 5.822 1.760 -5.277
59 HA VAL 7 HA VAL 7 4.813 3.613 -7.193
60 HB VAL 7 HB VAL 7 3.524 2.435 -5.256
61 HG11 VAL 7 1HG1 VAL 7 5.233 3.866 -3.693
62 HG12 VAL 7 2HG1 VAL 7 3.656 3.268 -3.162
63 HG13 VAL 7 3HG1 VAL 7 3.826 4.930 -3.725
64 HG21 VAL 7 3HG2 VAL 7 2.188 4.791 -5.107
65 HG22 VAL 7 1HG2 VAL 7 2.074 3.655 -6.450
66 HG23 VAL 7 2HG2 VAL 7 3.169 5.037 -6.556
67 H LYS 8 H LYS 8 6.980 3.809 -4.635
68 HA LYS 8 HA LYS 8 7.471 5.885 -3.455
69 HB2 LYS 8 2HB LYS 8 9.620 6.319 -4.225
70 HB3 LYS 8 1HB LYS 8 9.350 4.638 -4.588
71 HG2 LYS 8 2HG LYS 8 9.076 6.850 -6.604
72 HG3 LYS 8 1HG LYS 8 10.548 5.915 -6.358
73 HD2 LYS 8 2HD LYS 8 9.658 4.011 -7.251
74 HD3 LYS 8 1HD LYS 8 8.016 4.444 -6.795
75 HE2 LYS 8 2HE LYS 8 8.339 4.507 -9.221
76 HE3 LYS 8 1HE LYS 8 7.916 6.089 -8.569
77 HZ1 LYS 8 3HZ LYS 8 9.702 6.259 -10.180
78 HZ2 LYS 8 1HZ LYS 8 10.653 5.179 -9.290
79 HZ3 LYS 8 2HZ LYS 8 10.266 6.694 -8.646
80 H GLY 9 H GLY 9 7.169 6.335 -6.887
81 HA2 GLY 9 2HA GLY 9 6.897 9.185 -6.651
82 HA3 GLY 9 1HA GLY 9 6.644 8.243 -8.105
83 H LYS 10 H LYS 10 4.979 6.908 -5.479
84 HA LYS 10 HA LYS 10 2.825 6.587 -5.146
85 HB2 LYS 10 2HB LYS 10 2.606 9.488 -5.328
86 HB3 LYS 10 1HB LYS 10 1.862 8.416 -4.216
87 HG2 LYS 10 2HG LYS 10 4.744 9.160 -4.291
88 HG3 LYS 10 1HG LYS 10 3.543 9.761 -3.144
89 HD2 LYS 10 2HD LYS 10 3.916 6.888 -3.566
90 HD3 LYS 10 1HD LYS 10 5.036 7.736 -2.493
91 HE2 LYS 10 2HE LYS 10 3.075 8.522 -1.191
92 HE3 LYS 10 1HE LYS 10 2.028 7.567 -2.240
93 HZ1 LYS 10 3HZ LYS 10 2.643 6.500 -0.080
94 HZ2 LYS 10 1HZ LYS 10 4.233 6.385 -0.649
95 HZ3 LYS 10 2HZ LYS 10 2.986 5.571 -1.452
96 H SER 11 H SER 11 3.737 7.776 -7.988
97 HA SER 11 HA SER 11 1.115 8.068 -9.179
98 HB2 SER 11 2HB SER 11 2.863 9.730 -9.735
99 HB3 SER 11 1HB SER 11 3.860 8.424 -10.379
100 HG SER 11 HG SER 11 1.343 9.300 -11.361
101 H ASP 12 H ASP 12 3.097 5.655 -8.459
102 HA ASP 12 HA ASP 12 3.537 4.005 -10.583
103 HB2 ASP 12 2HB ASP 12 3.664 3.799 -8.018
104 HB3 ASP 12 1HB ASP 12 2.094 3.032 -8.218
105 HA PRO 13 HA PRO 13 -0.665 3.728 -12.138
106 HB2 PRO 13 2HB PRO 13 0.028 2.488 -14.480
107 HB3 PRO 13 1HB PRO 13 0.043 4.225 -14.199
108 HG2 PRO 13 2HG PRO 13 2.294 2.318 -14.230
109 HG3 PRO 13 1HG PRO 13 2.247 4.020 -14.719
110 HD2 PRO 13 2HD PRO 13 3.287 3.106 -12.361
111 HD3 PRO 13 1HD PRO 13 2.727 4.744 -12.586
112 H TYR 14 H TYR 14 1.431 1.076 -11.913
113 HA TYR 14 HA TYR 14 -0.482 -0.971 -12.465
114 HB2 TYR 14 2HB TYR 14 1.752 -1.865 -10.812
115 HB3 TYR 14 1HB TYR 14 1.348 -2.326 -12.474
116 HD1 TYR 14 1HD TYR 14 2.498 0.620 -10.638
117 HD2 TYR 14 2HD TYR 14 2.992 -1.818 -14.051
118 HE1 TYR 14 1HE TYR 14 4.240 2.086 -11.379
119 HE2 TYR 14 2HE TYR 14 4.821 -0.362 -14.828
120 HH TYR 14 HH TYR 14 6.264 1.991 -12.838
121 H HIS 15 H HIS 15 0.942 0.298 -9.547
122 HA HIS 15 HA HIS 15 -0.748 -1.261 -7.869
123 HB2 HIS 15 2HB HIS 15 1.055 1.085 -7.332
124 HB3 HIS 15 1HB HIS 15 0.267 0.133 -6.056
125 HD1 HIS 15 1HD HIS 15 3.279 0.145 -5.984
126 HD2 HIS 15 2HD HIS 15 1.110 -2.566 -8.267
127 HE1 HIS 15 1HE HIS 15 4.839 -1.779 -6.432
128 HE2 HIS 15 2HE HIS 15 3.527 -3.377 -7.852
129 H ALA 16 H ALA 16 -0.763 1.624 -9.504
130 HA ALA 16 HA ALA 16 -2.721 3.153 -8.235
131 HB1 ALA 16 1HB ALA 16 -1.034 3.496 -10.267
132 HB2 ALA 16 2HB ALA 16 -2.527 4.445 -10.158
133 HB3 ALA 16 3HB ALA 16 -2.456 3.002 -11.197
134 H THR 17 H THR 17 -2.771 0.533 -10.436
135 HA THR 17 HA THR 17 -5.533 0.740 -11.096
136 HB THR 17 HB THR 17 -3.301 -0.217 -12.231
137 HG1 THR 17 1HG THR 17 -5.995 -0.546 -12.592
138 HG21 THR 17 3HG2 THR 17 -4.810 -2.729 -11.521
139 HG22 THR 17 1HG2 THR 17 -3.324 -2.240 -10.715
140 HG23 THR 17 2HG2 THR 17 -3.313 -2.582 -12.440
141 H SER 18 H SER 18 -3.442 -1.113 -9.219
142 HA SER 18 HA SER 18 -5.417 -2.841 -8.094
143 HB2 SER 18 2HB SER 18 -3.690 -3.524 -6.490
144 HB3 SER 18 1HB SER 18 -3.071 -3.555 -8.140
145 HG SER 18 HG SER 18 -1.692 -2.532 -6.521
146 H GLY 19 H GLY 19 -4.413 0.339 -7.512
147 HA2 GLY 19 2HA GLY 19 -5.246 0.481 -4.760
148 HA3 GLY 19 1HA GLY 19 -4.884 1.852 -5.806
149 H ALA 20 H ALA 20 -6.644 1.834 -7.764
150 HA ALA 20 HA ALA 20 -9.089 2.582 -6.585
151 HB1 ALA 20 1HB ALA 20 -8.261 1.939 -9.398
152 HB2 ALA 20 2HB ALA 20 -8.741 3.489 -8.708
153 HB3 ALA 20 3HB ALA 20 -9.954 2.245 -9.010
154 H LEU 21 H LEU 21 -7.712 -0.399 -7.542
155 HA LEU 21 HA LEU 21 -10.185 -1.861 -7.214
156 HB2 LEU 21 2HB LEU 21 -7.517 -2.763 -8.258
157 HB3 LEU 21 1HB LEU 21 -8.936 -3.784 -8.128
158 HG LEU 21 HG LEU 21 -8.671 -1.354 -9.899
159 HD11 LEU 21 1HD1 LEU 21 -8.182 -2.715 -11.631
160 HD12 LEU 21 2HD1 LEU 21 -9.151 -4.048 -11.002
161 HD13 LEU 21 3HD1 LEU 21 -7.540 -3.744 -10.351
162 HD21 LEU 21 3HD2 LEU 21 -10.914 -1.347 -9.584
163 HD22 LEU 21 1HD2 LEU 21 -10.965 -3.041 -9.101
164 HD23 LEU 21 2HD2 LEU 21 -10.843 -2.614 -10.808
165 H SER 22 H SER 22 -8.048 -0.707 -5.211
166 HA SER 22 HA SER 22 -6.728 -1.561 -3.495
167 HB2 SER 22 2HB SER 22 -9.619 -1.729 -2.665
168 HB3 SER 22 1HB SER 22 -8.235 -1.581 -1.605
169 HG SER 22 HG SER 22 -9.150 0.285 -3.505
170 HA PRO 23 HA PRO 23 -8.154 -5.939 -2.142
171 HB2 PRO 23 2HB PRO 23 -10.169 -7.084 -3.600
172 HB3 PRO 23 1HB PRO 23 -10.397 -6.308 -2.022
173 HG2 PRO 23 2HG PRO 23 -10.754 -5.152 -4.766
174 HG3 PRO 23 1HG PRO 23 -11.789 -5.025 -3.350
175 HD2 PRO 23 2HD PRO 23 -10.218 -3.012 -3.983
176 HD3 PRO 23 1HD PRO 23 -10.396 -3.494 -2.283
177 H ALA 24 H ALA 24 -7.893 -4.715 -5.083
178 HA ALA 24 HA ALA 24 -7.430 -6.832 -6.825
179 HB1 ALA 24 1HB ALA 24 -6.881 -3.983 -6.781
180 HB2 ALA 24 2HB ALA 24 -7.374 -5.020 -8.120
181 HB3 ALA 24 3HB ALA 24 -5.670 -4.897 -7.681
182 H LYS 25 H LYS 25 -5.238 -5.275 -4.544
183 HA LYS 25 HA LYS 25 -2.853 -6.480 -5.383
184 HB2 LYS 25 2HB LYS 25 -2.073 -6.062 -3.034
185 HB3 LYS 25 1HB LYS 25 -2.747 -4.655 -3.845
186 HG2 LYS 25 2HG LYS 25 -4.710 -4.725 -2.583
187 HG3 LYS 25 1HG LYS 25 -4.409 -6.370 -2.034
188 HD2 LYS 25 2HD LYS 25 -3.976 -4.827 -0.228
189 HD3 LYS 25 1HD LYS 25 -2.450 -5.531 -0.765
190 HE2 LYS 25 2HE LYS 25 -3.483 -2.850 -1.674
191 HE3 LYS 25 1HE LYS 25 -2.379 -3.068 -0.319
192 HZ1 LYS 25 3HZ LYS 25 -0.796 -2.848 -1.855
193 HZ2 LYS 25 1HZ LYS 25 -1.849 -3.136 -3.146
194 HZ3 LYS 25 2HZ LYS 25 -1.162 -4.435 -2.307
195 H ASP 26 H ASP 26 -5.476 -7.670 -3.408
196 HA ASP 26 HA ASP 26 -4.222 -9.851 -2.196
197 HB2 ASP 26 2HB ASP 26 -7.092 -9.592 -3.122
198 HB3 ASP 26 1HB ASP 26 -6.493 -10.813 -2.002
Start of MODEL 6
1 H1 LYS 1 1HT LYS 1 13.173 -7.515 -11.008
2 H2 LYS 1 2HT LYS 1 13.190 -9.204 -11.310
3 H3 LYS 1 3HT LYS 1 12.121 -8.551 -10.136
4 HA LYS 1 HA LYS 1 12.054 -8.063 -13.038
5 HB2 LYS 1 2HB LYS 1 11.358 -10.318 -12.387
6 HB3 LYS 1 1HB LYS 1 10.268 -9.649 -11.180
7 HG2 LYS 1 2HG LYS 1 9.057 -10.354 -13.160
8 HG3 LYS 1 1HG LYS 1 8.943 -8.606 -12.941
9 HD2 LYS 1 2HD LYS 1 10.710 -8.286 -14.607
10 HD3 LYS 1 1HD LYS 1 10.820 -10.033 -14.826
11 HE2 LYS 1 2HE LYS 1 8.495 -10.081 -15.590
12 HE3 LYS 1 1HE LYS 1 8.387 -8.335 -15.371
13 HZ1 LYS 1 2HZ LYS 1 9.788 -9.866 -17.437
14 HZ2 LYS 1 3HZ LYS 1 10.455 -8.387 -16.959
15 HZ3 LYS 1 1HZ LYS 1 8.881 -8.445 -17.577
16 H GLY 2 H GLY 2 10.193 -7.760 -10.002
17 HA2 GLY 2 2HA GLY 2 8.585 -5.631 -11.073
18 HA3 GLY 2 1HA GLY 2 8.557 -6.231 -9.421
19 H VAL 3 H VAL 3 8.281 -3.698 -9.402
20 HA VAL 3 HA VAL 3 10.733 -2.669 -8.313
21 HB VAL 3 HB VAL 3 9.486 -1.240 -10.651
22 HG11 VAL 3 1HG1 VAL 3 10.292 0.281 -8.938
23 HG12 VAL 3 2HG1 VAL 3 11.304 0.367 -10.382
24 HG13 VAL 3 3HG1 VAL 3 11.869 -0.513 -8.962
25 HG21 VAL 3 3HG2 VAL 3 10.756 -3.061 -11.512
26 HG22 VAL 3 1HG2 VAL 3 12.086 -2.734 -10.402
27 HG23 VAL 3 2HG2 VAL 3 11.733 -1.607 -11.711
28 H LYS 4 H LYS 4 10.170 -1.620 -6.565
29 HA LYS 4 HA LYS 4 7.635 -0.204 -6.469
30 HB2 LYS 4 2HB LYS 4 7.630 -0.850 -4.079
31 HB3 LYS 4 1HB LYS 4 7.461 -2.176 -5.192
32 HG2 LYS 4 2HG LYS 4 10.178 -1.502 -4.278
33 HG3 LYS 4 1HG LYS 4 9.100 -2.262 -3.119
34 HD2 LYS 4 2HD LYS 4 9.734 -3.353 -5.857
35 HD3 LYS 4 1HD LYS 4 10.493 -3.889 -4.359
36 HE2 LYS 4 2HE LYS 4 8.291 -4.573 -3.509
37 HE3 LYS 4 1HE LYS 4 7.556 -4.066 -5.028
38 HZ1 LYS 4 3HZ LYS 4 9.643 -6.163 -4.791
39 HZ2 LYS 4 1HZ LYS 4 8.802 -5.729 -6.194
40 HZ3 LYS 4 2HZ LYS 4 7.984 -6.470 -4.913
41 H ASP 5 H ASP 5 10.221 0.584 -7.081
42 HA ASP 5 HA ASP 5 10.907 2.467 -4.983
43 HB2 ASP 5 2HB ASP 5 12.326 1.473 -7.421
44 HB3 ASP 5 1HB ASP 5 12.763 3.040 -6.755
45 H ARG 6 H ARG 6 9.397 1.984 -7.852
46 HA ARG 6 HA ARG 6 9.360 4.624 -8.827
47 HB2 ARG 6 2HB ARG 6 8.560 3.655 -10.633
48 HB3 ARG 6 1HB ARG 6 8.962 2.173 -9.881
49 HG2 ARG 6 2HG ARG 6 6.843 1.761 -10.576
50 HG3 ARG 6 1HG ARG 6 6.578 2.303 -8.919
51 HD2 ARG 6 2HD ARG 6 5.041 3.291 -10.555
52 HD3 ARG 6 1HD ARG 6 5.969 4.495 -9.676
53 HE ARG 6 HE ARG 6 7.265 3.830 -12.094
54 HH11 ARG 6 1HH1 ARG 6 4.503 5.586 -10.889
55 HH12 ARG 6 2HH1 ARG 6 4.446 6.670 -12.237
56 HH21 ARG 6 1HH2 ARG 6 7.195 5.256 -13.867
57 HH22 ARG 6 2HH2 ARG 6 5.974 6.484 -13.928
58 H VAL 7 H VAL 7 7.505 2.642 -7.076
59 HA VAL 7 HA VAL 7 5.090 3.986 -6.904
60 HB VAL 7 HB VAL 7 4.605 2.719 -4.916
61 HG11 VAL 7 1HG1 VAL 7 4.513 1.373 -6.861
62 HG12 VAL 7 2HG1 VAL 7 5.317 0.418 -5.616
63 HG13 VAL 7 3HG1 VAL 7 6.265 1.183 -6.890
64 HG21 VAL 7 3HG2 VAL 7 6.803 1.278 -4.202
65 HG22 VAL 7 1HG2 VAL 7 6.231 2.729 -3.377
66 HG23 VAL 7 2HG2 VAL 7 7.505 2.852 -4.595
67 H LYS 8 H LYS 8 8.051 4.611 -5.491
68 HA LYS 8 HA LYS 8 7.461 6.236 -3.325
69 HB2 LYS 8 2HB LYS 8 9.708 5.849 -3.618
70 HB3 LYS 8 1HB LYS 8 9.628 5.994 -5.337
71 HG2 LYS 8 2HG LYS 8 9.383 8.376 -3.549
72 HG3 LYS 8 1HG LYS 8 10.934 7.741 -4.068
73 HD2 LYS 8 2HD LYS 8 8.770 8.952 -5.755
74 HD3 LYS 8 1HD LYS 8 10.445 9.459 -5.585
75 HE2 LYS 8 2HE LYS 8 11.179 7.396 -6.694
76 HE3 LYS 8 1HE LYS 8 9.495 6.911 -6.894
77 HZ1 LYS 8 3HZ LYS 8 9.185 8.359 -8.573
78 HZ2 LYS 8 1HZ LYS 8 10.863 8.226 -8.747
79 HZ3 LYS 8 2HZ LYS 8 10.202 9.541 -7.915
80 H GLY 9 H GLY 9 7.601 6.664 -6.667
81 HA2 GLY 9 2HA GLY 9 6.998 9.441 -6.810
82 HA3 GLY 9 1HA GLY 9 6.858 8.303 -8.125
83 H LYS 10 H LYS 10 5.192 7.069 -5.572
84 HA LYS 10 HA LYS 10 3.023 6.549 -5.436
85 HB2 LYS 10 2HB LYS 10 1.849 8.328 -4.450
86 HB3 LYS 10 1HB LYS 10 3.459 8.322 -3.891
87 HG2 LYS 10 2HG LYS 10 2.754 10.070 -6.170
88 HG3 LYS 10 1HG LYS 10 2.308 10.560 -4.521
89 HD2 LYS 10 2HD LYS 10 4.896 9.408 -4.633
90 HD3 LYS 10 1HD LYS 10 4.813 10.802 -5.709
91 HE2 LYS 10 2HE LYS 10 4.073 10.716 -2.787
92 HE3 LYS 10 1HE LYS 10 5.546 11.425 -3.447
93 HZ1 LYS 10 3HZ LYS 10 3.048 12.417 -4.553
94 HZ2 LYS 10 1HZ LYS 10 4.457 13.258 -4.137
95 HZ3 LYS 10 2HZ LYS 10 3.345 12.825 -2.939
96 H SER 11 H SER 11 3.949 7.706 -8.157
97 HA SER 11 HA SER 11 1.372 8.356 -9.304
98 HB2 SER 11 2HB SER 11 3.274 9.791 -9.942
99 HB3 SER 11 1HB SER 11 4.129 8.368 -10.541
100 HG SER 11 HG SER 11 3.176 8.846 -12.354
101 H ASP 12 H ASP 12 3.204 5.811 -8.583
102 HA ASP 12 HA ASP 12 3.325 4.027 -10.643
103 HB2 ASP 12 2HB ASP 12 3.813 3.890 -8.171
104 HB3 ASP 12 1HB ASP 12 2.110 3.460 -8.011
105 HA PRO 13 HA PRO 13 -1.027 3.975 -11.715
106 HB2 PRO 13 2HB PRO 13 -0.703 2.862 -14.169
107 HB3 PRO 13 1HB PRO 13 -0.463 4.568 -13.805
108 HG2 PRO 13 2HG PRO 13 1.558 2.431 -14.136
109 HG3 PRO 13 1HG PRO 13 1.621 4.129 -14.635
110 HD2 PRO 13 2HD PRO 13 2.828 3.123 -12.398
111 HD3 PRO 13 1HD PRO 13 2.391 4.808 -12.569
112 H TYR 14 H TYR 14 1.009 1.275 -11.926
113 HA TYR 14 HA TYR 14 -0.954 -0.729 -12.312
114 HB2 TYR 14 2HB TYR 14 1.324 -1.764 -10.843
115 HB3 TYR 14 1HB TYR 14 0.859 -2.082 -12.521
116 HD1 TYR 14 1HD TYR 14 2.028 0.785 -10.603
117 HD2 TYR 14 2HD TYR 14 2.618 -1.635 -14.004
118 HE1 TYR 14 1HE TYR 14 3.806 2.236 -11.259
119 HE2 TYR 14 2HE TYR 14 4.487 -0.193 -14.707
120 HH TYR 14 HH TYR 14 5.026 2.548 -14.081
121 H HIS 15 H HIS 15 0.667 0.415 -9.439
122 HA HIS 15 HA HIS 15 -0.931 -1.195 -7.720
123 HB2 HIS 15 2HB HIS 15 0.913 1.115 -7.189
124 HB3 HIS 15 1HB HIS 15 0.223 0.084 -5.923
125 HD1 HIS 15 1HD HIS 15 3.219 0.123 -6.040
126 HD2 HIS 15 2HD HIS 15 0.944 -2.466 -8.358
127 HE1 HIS 15 1HE HIS 15 4.775 -1.730 -6.726
128 HE2 HIS 15 2HE HIS 15 3.396 -3.252 -8.165
129 H ALA 16 H ALA 16 -1.017 1.770 -9.209
130 HA ALA 16 HA ALA 16 -2.859 3.235 -7.711
131 HB1 ALA 16 1HB ALA 16 -1.283 3.669 -9.829
132 HB2 ALA 16 2HB ALA 16 -2.708 4.677 -9.517
133 HB3 ALA 16 3HB ALA 16 -2.799 3.331 -10.679
134 H THR 17 H THR 17 -3.105 0.755 -10.043
135 HA THR 17 HA THR 17 -5.903 1.089 -10.509
136 HB THR 17 HB THR 17 -3.782 0.204 -11.883
137 HG1 THR 17 1HG THR 17 -6.497 -0.058 -12.071
138 HG21 THR 17 3HG2 THR 17 -3.688 -1.929 -10.568
139 HG22 THR 17 1HG2 THR 17 -3.888 -2.146 -12.304
140 HG23 THR 17 2HG2 THR 17 -5.268 -2.338 -11.223
141 H SER 18 H SER 18 -3.730 -0.954 -8.951
142 HA SER 18 HA SER 18 -5.697 -2.709 -7.829
143 HB2 SER 18 2HB SER 18 -3.879 -3.643 -6.487
144 HB3 SER 18 1HB SER 18 -3.415 -3.533 -8.184
145 HG SER 18 HG SER 18 -2.454 -2.164 -5.972
146 H GLY 19 H GLY 19 -4.516 0.359 -7.079
147 HA2 GLY 19 2HA GLY 19 -4.973 0.285 -4.248
148 HA3 GLY 19 1HA GLY 19 -4.764 1.736 -5.224
149 H ALA 20 H ALA 20 -6.762 2.027 -6.813
150 HA ALA 20 HA ALA 20 -9.025 2.522 -5.214
151 HB1 ALA 20 1HB ALA 20 -8.305 3.248 -7.726
152 HB2 ALA 20 2HB ALA 20 -9.938 3.421 -7.086
153 HB3 ALA 20 3HB ALA 20 -9.525 2.026 -8.082
154 H LEU 21 H LEU 21 -7.801 -0.231 -6.839
155 HA LEU 21 HA LEU 21 -10.209 -1.774 -6.463
156 HB2 LEU 21 2HB LEU 21 -7.661 -2.451 -7.902
157 HB3 LEU 21 1HB LEU 21 -9.045 -3.518 -7.777
158 HG LEU 21 HG LEU 21 -9.010 -0.841 -9.175
159 HD11 LEU 21 1HD1 LEU 21 -9.605 -2.616 -11.083
160 HD12 LEU 21 2HD1 LEU 21 -8.582 -3.627 -10.062
161 HD13 LEU 21 3HD1 LEU 21 -7.954 -2.115 -10.716
162 HD21 LEU 21 3HD2 LEU 21 -11.245 -2.030 -10.035
163 HD22 LEU 21 1HD2 LEU 21 -11.207 -0.956 -8.636
164 HD23 LEU 21 2HD2 LEU 21 -11.174 -2.705 -8.407
165 H SER 22 H SER 22 -7.925 -0.905 -4.505
166 HA SER 22 HA SER 22 -6.367 -2.109 -3.171
167 HB2 SER 22 2HB SER 22 -9.104 -2.026 -1.927
168 HB3 SER 22 1HB SER 22 -7.587 -2.191 -1.071
169 HG SER 22 HG SER 22 -8.732 0.028 -2.175
170 HA PRO 23 HA PRO 23 -8.172 -6.431 -2.074
171 HB2 PRO 23 2HB PRO 23 -10.500 -6.624 -3.898
172 HB3 PRO 23 1HB PRO 23 -10.336 -7.218 -2.234
173 HG2 PRO 23 2HG PRO 23 -11.780 -5.060 -2.659
174 HG3 PRO 23 1HG PRO 23 -10.610 -5.094 -1.335
175 HD2 PRO 23 2HD PRO 23 -10.298 -3.845 -4.024
176 HD3 PRO 23 1HD PRO 23 -9.995 -3.142 -2.424
177 H ALA 24 H ALA 24 -7.954 -4.944 -4.856
178 HA ALA 24 HA ALA 24 -7.698 -6.887 -6.848
179 HB1 ALA 24 1HB ALA 24 -6.917 -4.091 -6.517
180 HB2 ALA 24 2HB ALA 24 -7.634 -4.913 -7.902
181 HB3 ALA 24 3HB ALA 24 -5.894 -4.999 -7.632
182 H LYS 25 H LYS 25 -5.374 -5.718 -4.485
183 HA LYS 25 HA LYS 25 -3.068 -6.905 -5.538
184 HB2 LYS 25 2HB LYS 25 -3.799 -6.276 -2.676
185 HB3 LYS 25 1HB LYS 25 -2.188 -6.749 -3.200
186 HG2 LYS 25 2HG LYS 25 -2.153 -4.780 -4.687
187 HG3 LYS 25 1HG LYS 25 -3.706 -4.285 -4.019
188 HD2 LYS 25 2HD LYS 25 -1.174 -4.674 -2.422
189 HD3 LYS 25 1HD LYS 25 -1.785 -3.118 -2.982
190 HE2 LYS 25 2HE LYS 25 -2.468 -3.323 -0.730
191 HE3 LYS 25 1HE LYS 25 -3.902 -3.625 -1.707
192 HZ1 LYS 25 3HZ LYS 25 -2.928 -5.229 0.275
193 HZ2 LYS 25 1HZ LYS 25 -2.462 -6.027 -1.142
194 HZ3 LYS 25 2HZ LYS 25 -4.091 -5.661 -0.872
195 H ASP 26 H ASP 26 -4.193 -8.088 -2.429
196 HA ASP 26 HA ASP 26 -4.641 -10.762 -3.467
197 HB2 ASP 26 2HB ASP 26 -2.208 -10.705 -3.125
198 HB3 ASP 26 1HB ASP 26 -2.449 -10.194 -1.458
Start of MODEL 7
1 H1 LYS 1 1HT LYS 1 11.149 -10.029 -9.841
2 H2 LYS 1 2HT LYS 1 9.942 -9.452 -8.768
3 H3 LYS 1 3HT LYS 1 11.245 -8.432 -9.225
4 HA LYS 1 HA LYS 1 10.484 -8.571 -11.521
5 HB2 LYS 1 2HB LYS 1 8.208 -9.411 -11.901
6 HB3 LYS 1 1HB LYS 1 9.265 -10.678 -11.298
7 HG2 LYS 1 2HG LYS 1 8.314 -10.441 -9.075
8 HG3 LYS 1 1HG LYS 1 7.287 -9.124 -9.641
9 HD2 LYS 1 2HD LYS 1 7.213 -11.973 -10.635
10 HD3 LYS 1 1HD LYS 1 6.058 -11.240 -9.519
11 HE2 LYS 1 2HE LYS 1 5.451 -9.605 -11.257
12 HE3 LYS 1 1HE LYS 1 6.570 -10.392 -12.368
13 HZ1 LYS 1 2HZ LYS 1 5.266 -12.377 -12.299
14 HZ2 LYS 1 3HZ LYS 1 4.235 -11.085 -12.657
15 HZ3 LYS 1 1HZ LYS 1 4.254 -11.746 -11.099
16 H GLY 2 H GLY 2 8.665 -8.006 -8.529
17 HA2 GLY 2 2HA GLY 2 7.789 -5.416 -9.630
18 HA3 GLY 2 1HA GLY 2 6.984 -6.278 -8.328
19 H VAL 3 H VAL 3 7.211 -3.989 -7.462
20 HA VAL 3 HA VAL 3 8.946 -3.939 -5.320
21 HB VAL 3 HB VAL 3 10.735 -3.622 -6.972
22 HG11 VAL 3 1HG1 VAL 3 10.827 -1.419 -8.181
23 HG12 VAL 3 2HG1 VAL 3 9.131 -1.199 -7.746
24 HG13 VAL 3 3HG1 VAL 3 9.610 -2.553 -8.772
25 HG21 VAL 3 3HG2 VAL 3 11.731 -2.490 -5.344
26 HG22 VAL 3 1HG2 VAL 3 10.164 -1.963 -4.731
27 HG23 VAL 3 2HG2 VAL 3 11.005 -1.001 -5.947
28 H LYS 4 H LYS 4 8.279 -2.413 -3.921
29 HA LYS 4 HA LYS 4 6.257 -0.563 -4.856
30 HB2 LYS 4 2HB LYS 4 5.582 -0.516 -2.516
31 HB3 LYS 4 1HB LYS 4 5.585 -2.121 -3.181
32 HG2 LYS 4 2HG LYS 4 8.046 -1.307 -1.818
33 HG3 LYS 4 1HG LYS 4 6.625 -1.492 -0.791
34 HD2 LYS 4 2HD LYS 4 7.652 -3.589 -2.705
35 HD3 LYS 4 1HD LYS 4 7.976 -3.561 -0.972
36 HE2 LYS 4 2HE LYS 4 5.573 -3.720 -0.527
37 HE3 LYS 4 1HE LYS 4 5.253 -3.750 -2.260
38 HZ1 LYS 4 3HZ LYS 4 6.560 -5.805 -2.398
39 HZ2 LYS 4 1HZ LYS 4 5.220 -5.972 -1.379
40 HZ3 LYS 4 2HZ LYS 4 6.765 -5.789 -0.719
41 H ASP 5 H ASP 5 9.155 -0.326 -4.827
42 HA ASP 5 HA ASP 5 9.462 2.155 -3.350
43 HB2 ASP 5 2HB ASP 5 11.506 0.362 -4.668
44 HB3 ASP 5 1HB ASP 5 11.894 1.938 -3.999
45 H ARG 6 H ARG 6 8.676 0.776 -6.164
46 HA ARG 6 HA ARG 6 9.579 2.676 -8.012
47 HB2 ARG 6 2HB ARG 6 9.239 0.473 -8.781
48 HB3 ARG 6 1HB ARG 6 7.665 0.399 -8.037
49 HG2 ARG 6 2HG ARG 6 7.140 2.339 -9.618
50 HG3 ARG 6 1HG ARG 6 8.484 1.707 -10.568
51 HD2 ARG 6 2HD ARG 6 6.061 0.171 -9.649
52 HD3 ARG 6 1HD ARG 6 6.330 0.773 -11.282
53 HE ARG 6 HE ARG 6 8.503 -0.839 -10.567
54 HH11 ARG 6 1HH1 ARG 6 5.094 -1.139 -11.250
55 HH12 ARG 6 2HH1 ARG 6 5.225 -2.768 -11.824
56 HH21 ARG 6 1HH2 ARG 6 8.677 -2.981 -11.322
57 HH22 ARG 6 2HH2 ARG 6 7.258 -3.814 -11.863
58 H VAL 7 H VAL 7 7.025 1.961 -6.196
59 HA VAL 7 HA VAL 7 5.160 3.793 -7.262
60 HB VAL 7 HB VAL 7 4.555 1.791 -5.844
61 HG11 VAL 7 1HG1 VAL 7 4.548 3.264 -3.364
62 HG12 VAL 7 2HG1 VAL 7 6.192 3.066 -3.973
63 HG13 VAL 7 3HG1 VAL 7 5.170 1.650 -3.709
64 HG21 VAL 7 3HG2 VAL 7 3.437 4.468 -5.892
65 HG22 VAL 7 1HG2 VAL 7 2.893 3.515 -4.509
66 HG23 VAL 7 2HG2 VAL 7 2.657 2.906 -6.148
67 H LYS 8 H LYS 8 7.721 4.130 -5.129
68 HA LYS 8 HA LYS 8 7.261 6.055 -3.373
69 HB2 LYS 8 2HB LYS 8 9.425 6.564 -3.388
70 HB3 LYS 8 1HB LYS 8 9.562 5.171 -4.405
71 HG2 LYS 8 2HG LYS 8 9.170 7.741 -5.793
72 HG3 LYS 8 1HG LYS 8 10.667 7.593 -4.886
73 HD2 LYS 8 2HD LYS 8 11.131 6.861 -7.082
74 HD3 LYS 8 1HD LYS 8 11.048 5.414 -6.078
75 HE2 LYS 8 2HE LYS 8 8.753 5.033 -6.823
76 HE3 LYS 8 1HE LYS 8 8.841 6.480 -7.827
77 HZ1 LYS 8 3HZ LYS 8 10.713 4.207 -8.151
78 HZ2 LYS 8 1HZ LYS 8 10.457 5.502 -9.209
79 HZ3 LYS 8 2HZ LYS 8 9.259 4.327 -9.009
80 H GLY 9 H GLY 9 7.411 6.505 -6.736
81 HA2 GLY 9 2HA GLY 9 6.980 9.312 -6.777
82 HA3 GLY 9 1HA GLY 9 6.749 8.227 -8.129
83 H LYS 10 H LYS 10 5.075 7.002 -5.556
84 HA LYS 10 HA LYS 10 2.929 6.634 -5.234
85 HB2 LYS 10 2HB LYS 10 2.289 9.425 -5.281
86 HB3 LYS 10 1HB LYS 10 2.155 8.266 -4.035
87 HG2 LYS 10 2HG LYS 10 4.836 9.242 -4.707
88 HG3 LYS 10 1HG LYS 10 3.740 10.332 -3.855
89 HD2 LYS 10 2HD LYS 10 3.261 8.514 -2.311
90 HD3 LYS 10 1HD LYS 10 4.563 7.574 -3.039
91 HE2 LYS 10 2HE LYS 10 6.148 9.357 -2.504
92 HE3 LYS 10 1HE LYS 10 4.855 10.277 -1.737
93 HZ1 LYS 10 3HZ LYS 10 6.274 7.912 -0.778
94 HZ2 LYS 10 1HZ LYS 10 4.631 8.031 -0.390
95 HZ3 LYS 10 2HZ LYS 10 5.702 9.252 0.082
96 H SER 11 H SER 11 3.832 7.815 -8.038
97 HA SER 11 HA SER 11 1.205 8.139 -9.215
98 HB2 SER 11 2HB SER 11 3.967 8.491 -10.383
99 HB3 SER 11 1HB SER 11 2.470 8.776 -11.272
100 HG SER 11 HG SER 11 2.963 10.742 -10.509
101 H ASP 12 H ASP 12 3.166 5.740 -8.431
102 HA ASP 12 HA ASP 12 3.544 3.998 -10.499
103 HB2 ASP 12 2HB ASP 12 3.729 3.911 -7.909
104 HB3 ASP 12 1HB ASP 12 2.154 3.136 -8.054
105 HA PRO 13 HA PRO 13 -0.726 3.744 -11.891
106 HB2 PRO 13 2HB PRO 13 -0.134 2.453 -14.236
107 HB3 PRO 13 1HB PRO 13 -0.115 4.193 -13.991
108 HG2 PRO 13 2HG PRO 13 2.139 2.303 -14.112
109 HG3 PRO 13 1HG PRO 13 2.066 4.007 -14.586
110 HD2 PRO 13 2HD PRO 13 3.199 3.055 -12.275
111 HD3 PRO 13 1HD PRO 13 2.680 4.708 -12.484
112 H TYR 14 H TYR 14 1.367 1.080 -11.781
113 HA TYR 14 HA TYR 14 -0.539 -0.979 -12.201
114 HB2 TYR 14 2HB TYR 14 1.714 -1.827 -10.555
115 HB3 TYR 14 1HB TYR 14 1.302 -2.316 -12.207
116 HD1 TYR 14 1HD TYR 14 2.433 0.680 -10.435
117 HD2 TYR 14 2HD TYR 14 2.943 -1.835 -13.791
118 HE1 TYR 14 1HE TYR 14 4.164 2.141 -11.211
119 HE2 TYR 14 2HE TYR 14 4.755 -0.381 -14.606
120 HH TYR 14 HH TYR 14 6.080 2.167 -12.658
121 H HIS 15 H HIS 15 0.918 0.347 -9.321
122 HA HIS 15 HA HIS 15 -0.741 -1.189 -7.592
123 HB2 HIS 15 2HB HIS 15 1.051 1.175 -7.113
124 HB3 HIS 15 1HB HIS 15 0.303 0.221 -5.819
125 HD1 HIS 15 1HD HIS 15 3.300 0.285 -5.779
126 HD2 HIS 15 2HD HIS 15 1.174 -2.473 -8.042
127 HE1 HIS 15 1HE HIS 15 4.903 -1.595 -6.248
128 HE2 HIS 15 2HE HIS 15 3.615 -3.222 -7.661
129 H ALA 16 H ALA 16 -0.792 1.680 -9.258
130 HA ALA 16 HA ALA 16 -2.729 3.202 -7.943
131 HB1 ALA 16 1HB ALA 16 -2.510 3.118 -10.905
132 HB2 ALA 16 2HB ALA 16 -1.050 3.546 -9.994
133 HB3 ALA 16 3HB ALA 16 -2.516 4.533 -9.831
134 H THR 17 H THR 17 -2.821 0.581 -10.128
135 HA THR 17 HA THR 17 -5.595 0.842 -10.756
136 HB THR 17 HB THR 17 -3.397 -0.081 -11.969
137 HG1 THR 17 1HG THR 17 -6.094 -0.408 -12.271
138 HG21 THR 17 3HG2 THR 17 -3.402 -2.442 -12.236
139 HG22 THR 17 1HG2 THR 17 -4.865 -2.621 -11.271
140 HG23 THR 17 2HG2 THR 17 -3.359 -2.134 -10.504
141 H SER 18 H SER 18 -3.480 -1.068 -8.968
142 HA SER 18 HA SER 18 -5.493 -2.779 -7.848
143 HB2 SER 18 2HB SER 18 -3.736 -3.641 -6.389
144 HB3 SER 18 1HB SER 18 -3.194 -3.610 -8.066
145 HG SER 18 HG SER 18 -1.814 -2.695 -6.223
146 H GLY 19 H GLY 19 -4.358 0.330 -7.211
147 HA2 GLY 19 2HA GLY 19 -4.940 0.390 -4.399
148 HA3 GLY 19 1HA GLY 19 -4.671 1.792 -5.430
149 H ALA 20 H ALA 20 -6.587 2.017 -7.130
150 HA ALA 20 HA ALA 20 -8.918 2.612 -5.673
151 HB1 ALA 20 1HB ALA 20 -8.153 3.383 -8.058
152 HB2 ALA 20 2HB ALA 20 -9.873 3.241 -7.691
153 HB3 ALA 20 3HB ALA 20 -9.055 1.966 -8.594
154 H LEU 21 H LEU 21 -7.650 -0.237 -7.084
155 HA LEU 21 HA LEU 21 -10.097 -1.729 -6.729
156 HB2 LEU 21 2HB LEU 21 -7.515 -2.522 -8.042
157 HB3 LEU 21 1HB LEU 21 -8.937 -3.541 -7.932
158 HG LEU 21 HG LEU 21 -8.767 -0.925 -9.430
159 HD11 LEU 21 1HD1 LEU 21 -8.655 -3.797 -10.287
160 HD12 LEU 21 2HD1 LEU 21 -7.555 -2.479 -10.688
161 HD13 LEU 21 3HD1 LEU 21 -9.174 -2.519 -11.386
162 HD21 LEU 21 3HD2 LEU 21 -11.009 -2.700 -8.681
163 HD22 LEU 21 1HD2 LEU 21 -10.995 -2.097 -10.338
164 HD23 LEU 21 2HD2 LEU 21 -10.987 -0.964 -8.986
165 H SER 22 H SER 22 -7.860 -0.801 -4.739
166 HA SER 22 HA SER 22 -6.375 -1.944 -3.288
167 HB2 SER 22 2HB SER 22 -9.165 -1.823 -2.170
168 HB3 SER 22 1HB SER 22 -7.688 -1.955 -1.241
169 HG SER 22 HG SER 22 -8.499 0.220 -1.505
170 HA PRO 23 HA PRO 23 -8.183 -6.238 -2.111
171 HB2 PRO 23 2HB PRO 23 -10.463 -6.506 -3.984
172 HB3 PRO 23 1HB PRO 23 -10.336 -7.046 -2.298
173 HG2 PRO 23 2HG PRO 23 -11.783 -4.913 -2.826
174 HG3 PRO 23 1HG PRO 23 -10.646 -4.897 -1.475
175 HD2 PRO 23 2HD PRO 23 -10.278 -3.729 -4.194
176 HD3 PRO 23 1HD PRO 23 -10.018 -2.976 -2.609
177 H ALA 24 H ALA 24 -7.898 -4.840 -4.930
178 HA ALA 24 HA ALA 24 -7.572 -6.870 -6.837
179 HB1 ALA 24 1HB ALA 24 -7.560 -4.947 -7.983
180 HB2 ALA 24 2HB ALA 24 -5.822 -4.961 -7.685
181 HB3 ALA 24 3HB ALA 24 -6.890 -4.037 -6.629
182 H LYS 25 H LYS 25 -5.285 -5.437 -4.576
183 HA LYS 25 HA LYS 25 -3.130 -7.136 -5.527
184 HB2 LYS 25 2HB LYS 25 -1.814 -5.961 -3.730
185 HB3 LYS 25 1HB LYS 25 -2.471 -4.915 -4.983
186 HG2 LYS 25 2HG LYS 25 -4.210 -4.156 -3.544
187 HG3 LYS 25 1HG LYS 25 -3.790 -5.351 -2.317
188 HD2 LYS 25 2HD LYS 25 -1.613 -4.256 -2.015
189 HD3 LYS 25 1HD LYS 25 -2.053 -3.059 -3.235
190 HE2 LYS 25 2HE LYS 25 -2.386 -2.184 -0.982
191 HE3 LYS 25 1HE LYS 25 -3.916 -2.316 -1.847
192 HZ1 LYS 25 3HZ LYS 25 -3.150 -4.619 -0.248
193 HZ2 LYS 25 1HZ LYS 25 -4.668 -3.899 -0.456
194 HZ3 LYS 25 2HZ LYS 25 -3.551 -3.223 0.619
195 H ASP 26 H ASP 26 -5.394 -6.956 -2.886
196 HA ASP 26 HA ASP 26 -4.083 -8.706 -1.101
197 HB2 ASP 26 2HB ASP 26 -7.041 -8.149 -1.410
198 HB3 ASP 26 1HB ASP 26 -6.291 -8.942 -0.028
Start of MODEL 8
1 H1 LYS 1 1HT LYS 1 6.709 -5.404 -18.254
2 H2 LYS 1 2HT LYS 1 8.329 -4.970 -17.885
3 H3 LYS 1 3HT LYS 1 7.404 -4.006 -18.963
4 HA LYS 1 HA LYS 1 7.471 -2.885 -16.945
5 HB2 LYS 1 2HB LYS 1 4.858 -4.385 -17.236
6 HB3 LYS 1 1HB LYS 1 5.072 -2.864 -16.379
7 HG2 LYS 1 2HG LYS 1 5.484 -3.307 -19.329
8 HG3 LYS 1 1HG LYS 1 4.106 -2.504 -18.576
9 HD2 LYS 1 2HD LYS 1 5.591 -0.774 -17.695
10 HD3 LYS 1 1HD LYS 1 6.977 -1.583 -18.430
11 HE2 LYS 1 2HE LYS 1 5.992 -1.243 -20.646
12 HE3 LYS 1 1HE LYS 1 4.612 -0.431 -19.908
13 HZ1 LYS 1 2HZ LYS 1 7.416 0.506 -19.648
14 HZ2 LYS 1 3HZ LYS 1 6.018 1.322 -19.157
15 HZ3 LYS 1 1HZ LYS 1 6.330 1.091 -20.804
16 H GLY 2 H GLY 2 7.971 -2.956 -14.837
17 HA2 GLY 2 2HA GLY 2 6.930 -4.600 -12.889
18 HA3 GLY 2 1HA GLY 2 8.307 -5.477 -13.533
19 H VAL 3 H VAL 3 7.265 -3.043 -11.409
20 HA VAL 3 HA VAL 3 9.709 -2.852 -10.080
21 HB VAL 3 HB VAL 3 10.486 -1.601 -11.997
22 HG11 VAL 3 1HG1 VAL 3 8.203 0.284 -11.438
23 HG12 VAL 3 2HG1 VAL 3 8.349 -0.787 -12.832
24 HG13 VAL 3 3HG1 VAL 3 9.484 0.547 -12.621
25 HG21 VAL 3 3HG2 VAL 3 10.015 0.381 -9.792
26 HG22 VAL 3 1HG2 VAL 3 11.411 0.246 -10.862
27 HG23 VAL 3 2HG2 VAL 3 11.127 -0.978 -9.625
28 H LYS 4 H LYS 4 9.264 -2.262 -8.096
29 HA LYS 4 HA LYS 4 6.865 -0.704 -7.579
30 HB2 LYS 4 2HB LYS 4 6.861 -1.921 -5.427
31 HB3 LYS 4 1HB LYS 4 6.662 -2.937 -6.825
32 HG2 LYS 4 2HG LYS 4 8.132 -4.104 -5.454
33 HG3 LYS 4 1HG LYS 4 9.149 -3.370 -6.681
34 HD2 LYS 4 2HD LYS 4 9.374 -1.442 -4.935
35 HD3 LYS 4 1HD LYS 4 8.858 -2.677 -3.792
36 HE2 LYS 4 2HE LYS 4 11.189 -2.892 -5.679
37 HE3 LYS 4 1HE LYS 4 11.301 -2.513 -3.961
38 HZ1 LYS 4 3HZ LYS 4 9.851 -4.939 -4.645
39 HZ2 LYS 4 1HZ LYS 4 10.934 -4.646 -3.377
40 HZ3 LYS 4 2HZ LYS 4 11.517 -4.975 -4.930
41 H ASP 5 H ASP 5 9.773 -0.171 -7.906
42 HA ASP 5 HA ASP 5 10.299 1.348 -5.484
43 HB2 ASP 5 2HB ASP 5 12.088 -0.072 -6.789
44 HB3 ASP 5 1HB ASP 5 12.100 1.298 -7.884
45 H ARG 6 H ARG 6 8.983 1.381 -8.440
46 HA ARG 6 HA ARG 6 9.345 4.011 -9.239
47 HB2 ARG 6 2HB ARG 6 8.927 2.096 -10.735
48 HB3 ARG 6 1HB ARG 6 7.315 1.978 -10.054
49 HG2 ARG 6 2HG ARG 6 7.672 4.598 -10.730
50 HG3 ARG 6 1HG ARG 6 8.253 3.697 -12.129
51 HD2 ARG 6 2HD ARG 6 6.086 2.390 -11.997
52 HD3 ARG 6 1HD ARG 6 5.539 3.572 -10.810
53 HE ARG 6 HE ARG 6 5.549 3.895 -13.614
54 HH11 ARG 6 1HH1 ARG 6 6.125 5.663 -10.657
55 HH12 ARG 6 2HH1 ARG 6 5.763 7.201 -11.363
56 HH21 ARG 6 1HH2 ARG 6 5.068 5.917 -14.537
57 HH22 ARG 6 2HH2 ARG 6 5.159 7.346 -13.563
58 H VAL 7 H VAL 7 7.305 2.232 -7.488
59 HA VAL 7 HA VAL 7 5.063 3.866 -7.354
60 HB VAL 7 HB VAL 7 5.067 1.552 -6.457
61 HG11 VAL 7 1HG1 VAL 7 7.246 2.269 -5.043
62 HG12 VAL 7 2HG1 VAL 7 6.190 0.929 -4.590
63 HG13 VAL 7 3HG1 VAL 7 5.997 2.505 -3.822
64 HG21 VAL 7 3HG2 VAL 7 3.145 2.283 -5.633
65 HG22 VAL 7 1HG2 VAL 7 3.810 3.911 -5.484
66 HG23 VAL 7 2HG2 VAL 7 3.989 2.761 -4.158
67 H LYS 8 H LYS 8 8.053 4.239 -5.884
68 HA LYS 8 HA LYS 8 7.535 5.734 -3.646
69 HB2 LYS 8 2HB LYS 8 9.700 6.193 -3.681
70 HB3 LYS 8 1HB LYS 8 9.801 5.139 -5.049
71 HG2 LYS 8 2HG LYS 8 9.223 7.961 -5.654
72 HG3 LYS 8 1HG LYS 8 10.789 7.658 -4.915
73 HD2 LYS 8 2HD LYS 8 11.073 7.577 -7.274
74 HD3 LYS 8 1HD LYS 8 11.190 5.925 -6.667
75 HE2 LYS 8 2HE LYS 8 8.932 5.457 -7.362
76 HE3 LYS 8 1HE LYS 8 8.700 7.142 -7.834
77 HZ1 LYS 8 3HZ LYS 8 10.642 5.278 -9.083
78 HZ2 LYS 8 1HZ LYS 8 10.407 6.895 -9.518
79 HZ3 LYS 8 2HZ LYS 8 9.170 5.770 -9.759
80 H GLY 9 H GLY 9 7.398 6.523 -6.893
81 HA2 GLY 9 2HA GLY 9 6.810 9.313 -6.598
82 HA3 GLY 9 1HA GLY 9 6.706 8.396 -8.081
83 H LYS 10 H LYS 10 5.162 6.742 -5.686
84 HA LYS 10 HA LYS 10 3.037 6.095 -5.557
85 HB2 LYS 10 2HB LYS 10 1.764 7.735 -4.424
86 HB3 LYS 10 1HB LYS 10 3.366 7.707 -3.851
87 HG2 LYS 10 2HG LYS 10 2.660 9.668 -5.941
88 HG3 LYS 10 1HG LYS 10 2.152 9.969 -4.268
89 HD2 LYS 10 2HD LYS 10 4.791 8.914 -4.439
90 HD3 LYS 10 1HD LYS 10 4.672 10.433 -5.332
91 HE2 LYS 10 2HE LYS 10 3.663 11.451 -3.296
92 HE3 LYS 10 1HE LYS 10 3.931 9.925 -2.452
93 HZ1 LYS 10 3HZ LYS 10 6.124 10.323 -2.247
94 HZ2 LYS 10 1HZ LYS 10 5.661 11.941 -2.418
95 HZ3 LYS 10 2HZ LYS 10 6.256 11.087 -3.750
96 H SER 11 H SER 11 3.852 7.563 -8.171
97 HA SER 11 HA SER 11 1.204 8.086 -9.234
98 HB2 SER 11 2HB SER 11 3.938 8.493 -10.468
99 HB3 SER 11 1HB SER 11 2.413 8.901 -11.256
100 HG SER 11 HG SER 11 2.043 10.292 -9.371
101 H ASP 12 H ASP 12 3.195 5.647 -8.689
102 HA ASP 12 HA ASP 12 3.481 4.016 -10.864
103 HB2 ASP 12 2HB ASP 12 3.800 3.767 -8.315
104 HB3 ASP 12 1HB ASP 12 2.185 3.066 -8.392
105 HA PRO 13 HA PRO 13 -0.831 3.872 -12.112
106 HB2 PRO 13 2HB PRO 13 -0.343 2.652 -14.521
107 HB3 PRO 13 1HB PRO 13 -0.286 4.382 -14.216
108 HG2 PRO 13 2HG PRO 13 1.930 2.461 -14.476
109 HG3 PRO 13 1HG PRO 13 1.871 4.181 -14.891
110 HD2 PRO 13 2HD PRO 13 3.067 3.142 -12.654
111 HD3 PRO 13 1HD PRO 13 2.554 4.805 -12.785
112 H TYR 14 H TYR 14 1.202 1.165 -12.168
113 HA TYR 14 HA TYR 14 -0.773 -0.834 -12.583
114 HB2 TYR 14 2HB TYR 14 1.527 -1.800 -11.070
115 HB3 TYR 14 1HB TYR 14 1.025 -2.222 -12.716
116 HD1 TYR 14 1HD TYR 14 2.315 0.685 -10.914
117 HD2 TYR 14 2HD TYR 14 2.619 -1.747 -14.353
118 HE1 TYR 14 1HE TYR 14 4.053 2.120 -11.720
119 HE2 TYR 14 2HE TYR 14 4.437 -0.322 -15.202
120 HH TYR 14 HH TYR 14 5.071 2.324 -14.721
121 H HIS 15 H HIS 15 0.838 0.360 -9.724
122 HA HIS 15 HA HIS 15 -0.783 -1.203 -7.979
123 HB2 HIS 15 2HB HIS 15 1.068 1.115 -7.496
124 HB3 HIS 15 1HB HIS 15 0.353 0.132 -6.203
125 HD1 HIS 15 1HD HIS 15 3.363 0.164 -6.315
126 HD2 HIS 15 2HD HIS 15 1.077 -2.517 -8.514
127 HE1 HIS 15 1HE HIS 15 4.909 -1.731 -6.902
128 HE2 HIS 15 2HE HIS 15 3.522 -3.312 -8.273
129 H ALA 16 H ALA 16 -0.827 1.729 -9.536
130 HA ALA 16 HA ALA 16 -2.686 3.251 -8.121
131 HB1 ALA 16 1HB ALA 16 -2.535 4.610 -9.996
132 HB2 ALA 16 2HB ALA 16 -2.580 3.209 -11.092
133 HB3 ALA 16 3HB ALA 16 -1.087 3.610 -10.226
134 H THR 17 H THR 17 -2.903 0.700 -10.386
135 HA THR 17 HA THR 17 -5.690 0.997 -10.905
136 HB THR 17 HB THR 17 -3.539 0.036 -12.184
137 HG1 THR 17 1HG THR 17 -6.254 -0.220 -12.421
138 HG21 THR 17 3HG2 THR 17 -5.067 -2.468 -11.482
139 HG22 THR 17 1HG2 THR 17 -3.528 -2.039 -10.744
140 HG23 THR 17 2HG2 THR 17 -3.621 -2.321 -12.478
141 H SER 18 H SER 18 -3.554 -0.970 -9.202
142 HA SER 18 HA SER 18 -5.527 -2.680 -8.037
143 HB2 SER 18 2HB SER 18 -3.743 -3.496 -6.576
144 HB3 SER 18 1HB SER 18 -3.218 -3.472 -8.258
145 HG SER 18 HG SER 18 -1.729 -2.571 -6.630
146 H GLY 19 H GLY 19 -4.412 0.445 -7.411
147 HA2 GLY 19 2HA GLY 19 -4.993 0.518 -4.602
148 HA3 GLY 19 1HA GLY 19 -4.755 1.918 -5.645
149 H ALA 20 H ALA 20 -6.688 2.084 -7.342
150 HA ALA 20 HA ALA 20 -9.021 2.647 -5.870
151 HB1 ALA 20 1HB ALA 20 -8.444 2.334 -8.798
152 HB2 ALA 20 2HB ALA 20 -8.906 3.782 -7.904
153 HB3 ALA 20 3HB ALA 20 -10.104 2.532 -8.235
154 H LEU 21 H LEU 21 -7.697 -0.181 -7.255
155 HA LEU 21 HA LEU 21 -10.106 -1.731 -6.906
156 HB2 LEU 21 2HB LEU 21 -7.485 -2.446 -8.185
157 HB3 LEU 21 1HB LEU 21 -8.852 -3.535 -8.051
158 HG LEU 21 HG LEU 21 -8.812 -0.951 -9.613
159 HD11 LEU 21 1HD1 LEU 21 -9.272 -2.836 -11.438
160 HD12 LEU 21 2HD1 LEU 21 -8.303 -3.781 -10.308
161 HD13 LEU 21 3HD1 LEU 21 -7.647 -2.303 -11.009
162 HD21 LEU 21 3HD2 LEU 21 -10.954 -3.057 -9.344
163 HD22 LEU 21 1HD2 LEU 21 -11.001 -1.675 -10.438
164 HD23 LEU 21 2HD2 LEU 21 -11.018 -1.419 -8.694
165 H SER 22 H SER 22 -7.925 -0.712 -4.901
166 HA SER 22 HA SER 22 -6.420 -1.815 -3.425
167 HB2 SER 22 2HB SER 22 -9.211 -1.704 -2.308
168 HB3 SER 22 1HB SER 22 -7.726 -1.774 -1.384
169 HG SER 22 HG SER 22 -8.720 0.306 -2.967
170 HA PRO 23 HA PRO 23 -8.236 -6.089 -2.158
171 HB2 PRO 23 2HB PRO 23 -10.463 -6.413 -4.086
172 HB3 PRO 23 1HB PRO 23 -10.379 -6.915 -2.387
173 HG2 PRO 23 2HG PRO 23 -11.821 -4.803 -2.998
174 HG3 PRO 23 1HG PRO 23 -10.718 -4.748 -1.619
175 HD2 PRO 23 2HD PRO 23 -10.288 -3.643 -4.354
176 HD3 PRO 23 1HD PRO 23 -10.070 -2.852 -2.781
177 H ALA 24 H ALA 24 -7.888 -4.761 -5.004
178 HA ALA 24 HA ALA 24 -7.505 -6.805 -6.870
179 HB1 ALA 24 1HB ALA 24 -7.400 -4.892 -8.027
180 HB2 ALA 24 2HB ALA 24 -5.677 -4.938 -7.653
181 HB3 ALA 24 3HB ALA 24 -6.772 -3.986 -6.650
182 H LYS 25 H LYS 25 -5.516 -5.795 -4.222
183 HA LYS 25 HA LYS 25 -2.992 -6.586 -4.986
184 HB2 LYS 25 2HB LYS 25 -4.323 -6.837 -2.289
185 HB3 LYS 25 1HB LYS 25 -2.601 -7.064 -2.553
186 HG2 LYS 25 2HG LYS 25 -2.477 -4.759 -3.415
187 HG3 LYS 25 1HG LYS 25 -4.179 -4.546 -3.012
188 HD2 LYS 25 2HD LYS 25 -2.006 -5.249 -1.038
189 HD3 LYS 25 1HD LYS 25 -2.646 -3.627 -1.296
190 HE2 LYS 25 2HE LYS 25 -3.757 -4.483 0.607
191 HE3 LYS 25 1HE LYS 25 -4.917 -4.560 -0.716
192 HZ1 LYS 25 3HZ LYS 25 -3.384 -6.961 -0.487
193 HZ2 LYS 25 1HZ LYS 25 -5.064 -6.754 -0.515
194 HZ3 LYS 25 2HZ LYS 25 -4.217 -6.611 0.941
195 H ASP 26 H ASP 26 -4.494 -8.689 -2.609
196 HA ASP 26 HA ASP 26 -3.436 -10.997 -4.024
197 HB2 ASP 26 2HB ASP 26 -3.040 -10.803 -1.609
198 HB3 ASP 26 1HB ASP 26 -4.776 -10.792 -1.319
Start of MODEL 9
1 H1 LYS 1 1HT LYS 1 14.259 -6.606 -2.655
2 H2 LYS 1 2HT LYS 1 14.343 -6.725 -4.365
3 H3 LYS 1 3HT LYS 1 12.842 -6.935 -3.560
4 HA LYS 1 HA LYS 1 13.138 -4.624 -2.713
5 HB2 LYS 1 2HB LYS 1 15.593 -4.680 -3.390
6 HB3 LYS 1 1HB LYS 1 15.050 -4.498 -5.050
7 HG2 LYS 1 2HG LYS 1 14.460 -2.544 -2.837
8 HG3 LYS 1 1HG LYS 1 15.783 -2.385 -3.991
9 HD2 LYS 1 2HD LYS 1 12.832 -2.411 -4.629
10 HD3 LYS 1 1HD LYS 1 13.905 -1.016 -4.675
11 HE2 LYS 1 2HE LYS 1 15.215 -2.081 -6.449
12 HE3 LYS 1 1HE LYS 1 14.132 -3.470 -6.412
13 HZ1 LYS 1 2HZ LYS 1 12.439 -1.387 -6.742
14 HZ2 LYS 1 3HZ LYS 1 13.013 -2.382 -7.983
15 HZ3 LYS 1 1HZ LYS 1 13.777 -0.907 -7.658
16 H GLY 2 H GLY 2 11.208 -3.931 -3.358
17 HA2 GLY 2 2HA GLY 2 10.374 -2.843 -5.616
18 HA3 GLY 2 1HA GLY 2 10.286 -4.540 -6.063
19 H VAL 3 H VAL 3 9.251 -2.350 -3.447
20 HA VAL 3 HA VAL 3 6.683 -3.776 -3.412
21 HB VAL 3 HB VAL 3 8.147 -4.211 -1.417
22 HG11 VAL 3 1HG1 VAL 3 9.077 -2.590 -0.245
23 HG12 VAL 3 2HG1 VAL 3 7.526 -1.790 -0.004
24 HG13 VAL 3 3HG1 VAL 3 8.484 -1.445 -1.445
25 HG21 VAL 3 3HG2 VAL 3 6.046 -3.144 0.086
26 HG22 VAL 3 1HG2 VAL 3 6.175 -4.771 -0.583
27 HG23 VAL 3 2HG2 VAL 3 5.362 -3.505 -1.501
28 H LYS 4 H LYS 4 5.959 -1.595 -1.321
29 HA LYS 4 HA LYS 4 4.803 0.187 -3.196
30 HB2 LYS 4 2HB LYS 4 3.606 1.010 -1.325
31 HB3 LYS 4 1HB LYS 4 3.685 -0.722 -1.187
32 HG2 LYS 4 2HG LYS 4 4.092 -0.056 0.971
33 HG3 LYS 4 1HG LYS 4 5.722 -0.266 0.333
34 HD2 LYS 4 2HD LYS 4 4.881 2.396 -0.223
35 HD3 LYS 4 1HD LYS 4 4.544 2.056 1.472
36 HE2 LYS 4 2HE LYS 4 6.866 1.303 1.767
37 HE3 LYS 4 1HE LYS 4 7.195 1.698 0.080
38 HZ1 LYS 4 3HZ LYS 4 6.542 3.558 2.288
39 HZ2 LYS 4 1HZ LYS 4 6.471 4.022 0.662
40 HZ3 LYS 4 2HZ LYS 4 7.939 3.519 1.335
41 H ASP 5 H ASP 5 7.703 0.059 -2.207
42 HA ASP 5 HA ASP 5 8.182 2.827 -1.605
43 HB2 ASP 5 2HB ASP 5 10.080 0.498 -1.968
44 HB3 ASP 5 1HB ASP 5 10.597 2.136 -1.600
45 H ARG 6 H ARG 6 7.642 0.775 -4.045
46 HA ARG 6 HA ARG 6 9.200 1.892 -6.082
47 HB2 ARG 6 2HB ARG 6 8.472 -0.388 -6.225
48 HB3 ARG 6 1HB ARG 6 6.814 0.098 -6.001
49 HG2 ARG 6 2HG ARG 6 7.248 1.485 -8.108
50 HG3 ARG 6 1HG ARG 6 8.506 0.293 -8.420
51 HD2 ARG 6 2HD ARG 6 5.608 -0.328 -7.850
52 HD3 ARG 6 1HD ARG 6 6.312 -0.267 -9.464
53 HE ARG 6 HE ARG 6 6.436 -2.436 -7.657
54 HH11 ARG 6 1HH1 ARG 6 8.361 -0.743 -10.027
55 HH12 ARG 6 2HH1 ARG 6 9.373 -2.106 -10.362
56 HH21 ARG 6 1HH2 ARG 6 7.765 -4.232 -8.103
57 HH22 ARG 6 2HH2 ARG 6 9.033 -4.087 -9.274
58 H VAL 7 H VAL 7 6.364 2.264 -4.620
59 HA VAL 7 HA VAL 7 5.080 3.918 -6.555
60 HB VAL 7 HB VAL 7 3.981 2.726 -4.505
61 HG11 VAL 7 1HG1 VAL 7 4.056 3.726 -2.477
62 HG12 VAL 7 2HG1 VAL 7 4.037 5.348 -3.165
63 HG13 VAL 7 3HG1 VAL 7 5.551 4.446 -3.087
64 HG21 VAL 7 3HG2 VAL 7 2.352 3.686 -5.683
65 HG22 VAL 7 1HG2 VAL 7 3.336 5.106 -6.045
66 HG23 VAL 7 2HG2 VAL 7 2.452 5.008 -4.518
67 H LYS 8 H LYS 8 7.342 4.477 -4.145
68 HA LYS 8 HA LYS 8 7.488 6.751 -3.097
69 HB2 LYS 8 2HB LYS 8 9.681 7.219 -3.732
70 HB3 LYS 8 1HB LYS 8 9.535 5.489 -3.842
71 HG2 LYS 8 2HG LYS 8 9.315 7.310 -6.219
72 HG3 LYS 8 1HG LYS 8 10.831 6.598 -5.677
73 HD2 LYS 8 2HD LYS 8 10.296 4.549 -6.435
74 HD3 LYS 8 1HD LYS 8 8.604 4.718 -5.978
75 HE2 LYS 8 2HE LYS 8 9.003 4.536 -8.438
76 HE3 LYS 8 1HE LYS 8 8.112 5.973 -7.948
77 HZ1 LYS 8 3HZ LYS 8 10.236 6.005 -9.568
78 HZ2 LYS 8 1HZ LYS 8 10.995 6.281 -8.081
79 HZ3 LYS 8 2HZ LYS 8 9.770 7.320 -8.611
80 H GLY 9 H GLY 9 7.455 6.642 -6.549
81 HA2 GLY 9 2HA GLY 9 7.121 9.476 -6.843
82 HA3 GLY 9 1HA GLY 9 6.967 8.287 -8.116
83 H LYS 10 H LYS 10 5.182 7.418 -5.387
84 HA LYS 10 HA LYS 10 3.003 7.017 -5.229
85 HB2 LYS 10 2HB LYS 10 1.841 9.011 -4.694
86 HB3 LYS 10 1HB LYS 10 3.406 9.026 -4.025
87 HG2 LYS 10 2HG LYS 10 2.969 10.350 -6.632
88 HG3 LYS 10 1HG LYS 10 2.442 11.161 -5.144
89 HD2 LYS 10 2HD LYS 10 4.965 9.886 -4.843
90 HD3 LYS 10 1HD LYS 10 5.030 11.070 -6.152
91 HE2 LYS 10 2HE LYS 10 4.091 11.546 -3.325
92 HE3 LYS 10 1HE LYS 10 5.646 12.054 -3.984
93 HZ1 LYS 10 3HZ LYS 10 4.720 13.780 -5.070
94 HZ2 LYS 10 1HZ LYS 10 3.502 13.624 -3.905
95 HZ3 LYS 10 2HZ LYS 10 3.295 12.946 -5.441
96 H SER 11 H SER 11 4.066 7.746 -8.097
97 HA SER 11 HA SER 11 1.524 8.064 -9.455
98 HB2 SER 11 2HB SER 11 3.397 9.499 -10.190
99 HB3 SER 11 1HB SER 11 4.341 8.050 -10.545
100 HG SER 11 HG SER 11 2.006 8.986 -11.842
101 H ASP 12 H ASP 12 3.359 5.716 -8.253
102 HA ASP 12 HA ASP 12 3.766 3.696 -10.030
103 HB2 ASP 12 2HB ASP 12 3.894 3.938 -7.495
104 HB3 ASP 12 1HB ASP 12 2.240 3.332 -7.533
105 HA PRO 13 HA PRO 13 -0.432 3.305 -11.581
106 HB2 PRO 13 2HB PRO 13 0.214 1.905 -13.812
107 HB3 PRO 13 1HB PRO 13 0.354 3.654 -13.651
108 HG2 PRO 13 2HG PRO 13 2.469 1.591 -13.474
109 HG3 PRO 13 1HG PRO 13 2.534 3.219 -14.174
110 HD2 PRO 13 2HD PRO 13 3.501 2.547 -11.705
111 HD3 PRO 13 1HD PRO 13 3.040 4.178 -12.138
112 H TYR 14 H TYR 14 1.687 0.677 -11.216
113 HA TYR 14 HA TYR 14 -0.137 -1.442 -11.568
114 HB2 TYR 14 2HB TYR 14 1.937 -2.139 -9.659
115 HB3 TYR 14 1HB TYR 14 1.728 -2.716 -11.318
116 HD1 TYR 14 1HD TYR 14 2.530 0.462 -9.700
117 HD2 TYR 14 2HD TYR 14 3.654 -2.394 -12.599
118 HE1 TYR 14 1HE TYR 14 4.346 1.888 -10.329
119 HE2 TYR 14 2HE TYR 14 5.560 -0.978 -13.253
120 HH TYR 14 HH TYR 14 5.885 2.275 -12.151
121 H HIS 15 H HIS 15 1.041 0.148 -8.702
122 HA HIS 15 HA HIS 15 -0.734 -1.252 -6.974
123 HB2 HIS 15 2HB HIS 15 1.020 1.152 -6.574
124 HB3 HIS 15 1HB HIS 15 0.176 0.313 -5.259
125 HD1 HIS 15 1HD HIS 15 3.146 0.368 -4.969
126 HD2 HIS 15 2HD HIS 15 1.207 -2.543 -7.209
127 HE1 HIS 15 1HE HIS 15 4.765 -1.547 -5.155
128 HE2 HIS 15 2HE HIS 15 3.598 -3.267 -6.557
129 H ALA 16 H ALA 16 -0.702 1.463 -8.878
130 HA ALA 16 HA ALA 16 -2.727 3.033 -7.762
131 HB1 ALA 16 1HB ALA 16 -0.895 3.318 -9.682
132 HB2 ALA 16 2HB ALA 16 -2.370 4.304 -9.665
133 HB3 ALA 16 3HB ALA 16 -2.273 2.851 -10.690
134 H THR 17 H THR 17 -2.686 0.283 -9.765
135 HA THR 17 HA THR 17 -5.427 0.567 -10.582
136 HB THR 17 HB THR 17 -3.179 -0.347 -11.705
137 HG1 THR 17 1HG THR 17 -5.854 -0.678 -12.103
138 HG21 THR 17 3HG2 THR 17 -4.641 -2.870 -10.925
139 HG22 THR 17 1HG2 THR 17 -3.086 -2.366 -10.269
140 HG23 THR 17 2HG2 THR 17 -3.237 -2.740 -11.983
141 H SER 18 H SER 18 -3.380 -1.304 -8.693
142 HA SER 18 HA SER 18 -5.489 -2.965 -7.630
143 HB2 SER 18 2HB SER 18 -3.746 -3.953 -6.204
144 HB3 SER 18 1HB SER 18 -3.308 -3.998 -7.910
145 HG SER 18 HG SER 18 -2.227 -2.504 -5.818
146 H GLY 19 H GLY 19 -4.218 0.065 -6.990
147 HA2 GLY 19 2HA GLY 19 -4.687 0.086 -4.147
148 HA3 GLY 19 1HA GLY 19 -4.366 1.493 -5.156
149 H ALA 20 H ALA 20 -6.299 1.862 -6.801
150 HA ALA 20 HA ALA 20 -8.562 2.554 -5.282
151 HB1 ALA 20 1HB ALA 20 -8.960 1.965 -8.163
152 HB2 ALA 20 2HB ALA 20 -7.755 3.190 -7.765
153 HB3 ALA 20 3HB ALA 20 -9.422 3.385 -7.226
154 H LEU 21 H LEU 21 -7.498 -0.316 -6.844
155 HA LEU 21 HA LEU 21 -10.001 -1.693 -6.424
156 HB2 LEU 21 2HB LEU 21 -7.508 -2.619 -7.820
157 HB3 LEU 21 1HB LEU 21 -9.004 -3.525 -7.715
158 HG LEU 21 HG LEU 21 -8.637 -0.892 -9.146
159 HD11 LEU 21 1HD1 LEU 21 -7.649 -3.049 -10.130
160 HD12 LEU 21 2HD1 LEU 21 -8.698 -2.068 -11.154
161 HD13 LEU 21 3HD1 LEU 21 -9.325 -3.529 -10.390
162 HD21 LEU 21 3HD2 LEU 21 -10.855 -0.960 -8.292
163 HD22 LEU 21 1HD2 LEU 21 -11.049 -2.651 -8.757
164 HD23 LEU 21 2HD2 LEU 21 -10.942 -1.401 -9.997
165 H SER 22 H SER 22 -7.666 -0.933 -4.478
166 HA SER 22 HA SER 22 -6.215 -2.169 -3.080
167 HB2 SER 22 2HB SER 22 -8.982 -1.995 -1.913
168 HB3 SER 22 1HB SER 22 -7.496 -2.207 -1.013
169 HG SER 22 HG SER 22 -8.521 0.042 -2.199
170 HA PRO 23 HA PRO 23 -8.121 -6.455 -2.025
171 HB2 PRO 23 2HB PRO 23 -10.505 -6.559 -3.778
172 HB3 PRO 23 1HB PRO 23 -10.313 -7.162 -2.121
173 HG2 PRO 23 2HG PRO 23 -11.696 -4.959 -2.497
174 HG3 PRO 23 1HG PRO 23 -10.484 -5.030 -1.212
175 HD2 PRO 23 2HD PRO 23 -10.213 -3.802 -3.917
176 HD3 PRO 23 1HD PRO 23 -9.855 -3.098 -2.328
177 H ALA 24 H ALA 24 -7.889 -4.956 -4.789
178 HA ALA 24 HA ALA 24 -7.828 -6.852 -6.823
179 HB1 ALA 24 1HB ALA 24 -7.594 -4.910 -7.885
180 HB2 ALA 24 2HB ALA 24 -5.868 -5.063 -7.559
181 HB3 ALA 24 3HB ALA 24 -6.893 -4.131 -6.467
182 H LYS 25 H LYS 25 -5.265 -5.896 -4.589
183 HA LYS 25 HA LYS 25 -3.139 -7.260 -5.760
184 HB2 LYS 25 2HB LYS 25 -2.194 -7.355 -3.426
185 HB3 LYS 25 1HB LYS 25 -2.672 -5.756 -3.977
186 HG2 LYS 25 2HG LYS 25 -4.596 -5.756 -2.630
187 HG3 LYS 25 1HG LYS 25 -4.472 -7.482 -2.305
188 HD2 LYS 25 2HD LYS 25 -2.394 -7.079 -1.057
189 HD3 LYS 25 1HD LYS 25 -2.541 -5.351 -1.382
190 HE2 LYS 25 2HE LYS 25 -4.661 -5.304 -0.161
191 HE3 LYS 25 1HE LYS 25 -4.514 -7.031 0.161
192 HZ1 LYS 25 3HZ LYS 25 -2.745 -4.869 1.158
193 HZ2 LYS 25 1HZ LYS 25 -2.401 -6.516 1.331
194 HZ3 LYS 25 2HZ LYS 25 -3.771 -5.855 2.072
195 H ASP 26 H ASP 26 -5.811 -8.449 -3.868
196 HA ASP 26 HA ASP 26 -4.624 -11.137 -3.842
197 HB2 ASP 26 2HB ASP 26 -6.971 -10.043 -2.274
198 HB3 ASP 26 1HB ASP 26 -6.341 -11.682 -2.153
Start of MODEL 10
1 H1 LYS 1 1HT LYS 1 5.606 -9.997 -7.441
2 H2 LYS 1 2HT LYS 1 6.644 -8.999 -8.375
3 H3 LYS 1 3HT LYS 1 5.221 -9.654 -9.076
4 HA LYS 1 HA LYS 1 5.119 -7.284 -8.451
5 HB2 LYS 1 2HB LYS 1 2.849 -7.544 -7.532
6 HB3 LYS 1 1HB LYS 1 3.144 -8.651 -8.865
7 HG2 LYS 1 2HG LYS 1 3.621 -10.431 -7.191
8 HG3 LYS 1 1HG LYS 1 3.124 -9.305 -5.929
9 HD2 LYS 1 2HD LYS 1 1.395 -10.218 -8.228
10 HD3 LYS 1 1HD LYS 1 1.321 -10.857 -6.586
11 HE2 LYS 1 2HE LYS 1 -0.429 -9.278 -6.765
12 HE3 LYS 1 1HE LYS 1 0.840 -8.502 -5.821
13 HZ1 LYS 1 2HZ LYS 1 1.044 -6.907 -7.334
14 HZ2 LYS 1 3HZ LYS 1 -0.379 -7.484 -8.042
15 HZ3 LYS 1 1HZ LYS 1 1.123 -8.004 -8.621
16 H GLY 2 H GLY 2 5.822 -5.864 -7.005
17 HA2 GLY 2 2HA GLY 2 5.263 -5.828 -4.300
18 HA3 GLY 2 1HA GLY 2 6.805 -6.657 -4.451
19 H VAL 3 H VAL 3 7.896 -5.006 -3.345
20 HA VAL 3 HA VAL 3 9.176 -3.139 -3.182
21 HB VAL 3 HB VAL 3 8.615 -2.862 -6.124
22 HG11 VAL 3 1HG1 VAL 3 10.572 -1.424 -6.198
23 HG12 VAL 3 2HG1 VAL 3 10.780 -1.597 -4.455
24 HG13 VAL 3 3HG1 VAL 3 9.359 -0.770 -5.095
25 HG21 VAL 3 3HG2 VAL 3 9.909 -4.921 -4.967
26 HG22 VAL 3 1HG2 VAL 3 11.246 -3.791 -5.182
27 HG23 VAL 3 2HG2 VAL 3 10.292 -4.305 -6.574
28 H LYS 4 H LYS 4 8.655 -1.268 -2.305
29 HA LYS 4 HA LYS 4 6.331 0.174 -3.288
30 HB2 LYS 4 2HB LYS 4 5.966 0.782 -0.951
31 HB3 LYS 4 1HB LYS 4 5.889 -0.929 -1.212
32 HG2 LYS 4 2HG LYS 4 7.076 -0.735 0.761
33 HG3 LYS 4 1HG LYS 4 8.316 -0.978 -0.456
34 HD2 LYS 4 2HD LYS 4 9.050 0.742 1.038
35 HD3 LYS 4 1HD LYS 4 8.660 1.494 -0.504
36 HE2 LYS 4 2HE LYS 4 6.689 1.366 1.758
37 HE3 LYS 4 1HE LYS 4 7.868 2.668 1.619
38 HZ1 LYS 4 3HZ LYS 4 6.346 3.665 0.366
39 HZ2 LYS 4 1HZ LYS 4 5.423 2.259 0.184
40 HZ3 LYS 4 2HZ LYS 4 6.730 2.555 -0.849
41 H ASP 5 H ASP 5 9.310 0.279 -3.485
42 HA ASP 5 HA ASP 5 9.760 3.046 -2.755
43 HB2 ASP 5 2HB ASP 5 11.645 0.913 -3.772
44 HB3 ASP 5 1HB ASP 5 12.119 2.586 -3.520
45 H ARG 6 H ARG 6 8.686 1.071 -5.076
46 HA ARG 6 HA ARG 6 9.476 2.448 -7.379
47 HB2 ARG 6 2HB ARG 6 9.022 0.130 -7.577
48 HB3 ARG 6 1HB ARG 6 7.493 0.316 -6.755
49 HG2 ARG 6 2HG ARG 6 6.946 1.864 -8.710
50 HG3 ARG 6 1HG ARG 6 8.205 0.970 -9.558
51 HD2 ARG 6 2HD ARG 6 5.787 -0.202 -8.196
52 HD3 ARG 6 1HD ARG 6 5.975 0.008 -9.933
53 HE ARG 6 HE ARG 6 6.968 -2.136 -8.381
54 HH11 ARG 6 1HH1 ARG 6 7.804 -0.103 -11.095
55 HH12 ARG 6 2HH1 ARG 6 8.877 -1.267 -11.796
56 HH21 ARG 6 1HH2 ARG 6 8.375 -3.668 -9.305
57 HH22 ARG 6 2HH2 ARG 6 9.199 -3.291 -10.782
58 H VAL 7 H VAL 7 7.042 2.231 -5.285
59 HA VAL 7 HA VAL 7 5.193 3.933 -6.619
60 HB VAL 7 HB VAL 7 4.528 2.222 -4.880
61 HG11 VAL 7 1HG1 VAL 7 6.206 3.874 -3.252
62 HG12 VAL 7 2HG1 VAL 7 5.395 2.363 -2.839
63 HG13 VAL 7 3HG1 VAL 7 4.562 3.899 -2.613
64 HG21 VAL 7 3HG2 VAL 7 3.560 4.953 -5.261
65 HG22 VAL 7 1HG2 VAL 7 2.967 4.162 -3.798
66 HG23 VAL 7 2HG2 VAL 7 2.704 3.414 -5.375
67 H LYS 8 H LYS 8 7.844 4.467 -4.656
68 HA LYS 8 HA LYS 8 7.588 6.643 -3.199
69 HB2 LYS 8 2HB LYS 8 9.755 7.084 -3.464
70 HB3 LYS 8 1HB LYS 8 9.774 5.549 -4.266
71 HG2 LYS 8 2HG LYS 8 9.308 7.871 -6.012
72 HG3 LYS 8 1HG LYS 8 10.862 7.861 -5.197
73 HD2 LYS 8 2HD LYS 8 11.146 6.783 -7.291
74 HD3 LYS 8 1HD LYS 8 11.199 5.536 -6.045
75 HE2 LYS 8 2HE LYS 8 8.850 5.001 -6.502
76 HE3 LYS 8 1HE LYS 8 8.826 6.230 -7.765
77 HZ1 LYS 8 3HZ LYS 8 10.412 5.019 -9.030
78 HZ2 LYS 8 1HZ LYS 8 9.188 3.937 -8.595
79 HZ3 LYS 8 2HZ LYS 8 10.671 3.908 -7.782
80 H GLY 9 H GLY 9 7.526 6.651 -6.604
81 HA2 GLY 9 2HA GLY 9 7.089 9.448 -6.933
82 HA3 GLY 9 1HA GLY 9 6.846 8.225 -8.158
83 H LYS 10 H LYS 10 5.264 7.318 -5.376
84 HA LYS 10 HA LYS 10 3.101 6.916 -5.059
85 HB2 LYS 10 2HB LYS 10 1.989 8.879 -4.361
86 HB3 LYS 10 1HB LYS 10 3.603 8.885 -3.821
87 HG2 LYS 10 2HG LYS 10 2.943 10.290 -6.338
88 HG3 LYS 10 1HG LYS 10 2.536 11.047 -4.783
89 HD2 LYS 10 2HD LYS 10 5.079 9.787 -4.731
90 HD3 LYS 10 1HD LYS 10 5.033 11.006 -6.007
91 HE2 LYS 10 2HE LYS 10 4.175 12.613 -4.300
92 HE3 LYS 10 1HE LYS 10 4.401 11.361 -3.080
93 HZ1 LYS 10 3HZ LYS 10 6.385 13.002 -4.446
94 HZ2 LYS 10 1HZ LYS 10 6.817 11.393 -4.147
95 HZ3 LYS 10 2HZ LYS 10 6.378 12.404 -2.864
96 H SER 11 H SER 11 3.948 7.742 -7.969
97 HA SER 11 HA SER 11 1.305 8.096 -9.112
98 HB2 SER 11 2HB SER 11 3.121 9.554 -9.958
99 HB3 SER 11 1HB SER 11 4.028 8.116 -10.428
100 HG SER 11 HG SER 11 2.998 8.358 -12.248
101 H ASP 12 H ASP 12 3.172 5.732 -8.061
102 HA ASP 12 HA ASP 12 3.479 3.729 -9.878
103 HB2 ASP 12 2HB ASP 12 3.654 3.957 -7.299
104 HB3 ASP 12 1HB ASP 12 2.038 3.259 -7.349
105 HA PRO 13 HA PRO 13 -0.795 3.461 -11.256
106 HB2 PRO 13 2HB PRO 13 -0.257 1.974 -13.483
107 HB3 PRO 13 1HB PRO 13 -0.156 3.726 -13.377
108 HG2 PRO 13 2HG PRO 13 2.009 1.729 -13.328
109 HG3 PRO 13 1HG PRO 13 2.010 3.382 -13.963
110 HD2 PRO 13 2HD PRO 13 3.100 2.606 -11.568
111 HD3 PRO 13 1HD PRO 13 2.658 4.253 -11.937
112 H TYR 14 H TYR 14 1.238 0.771 -10.916
113 HA TYR 14 HA TYR 14 -0.655 -1.297 -11.178
114 HB2 TYR 14 2HB TYR 14 1.474 -1.958 -9.292
115 HB3 TYR 14 1HB TYR 14 1.160 -2.640 -10.895
116 HD1 TYR 14 1HD TYR 14 2.194 0.564 -9.457
117 HD2 TYR 14 2HD TYR 14 2.934 -2.391 -12.386
118 HE1 TYR 14 1HE TYR 14 3.989 1.906 -10.295
119 HE2 TYR 14 2HE TYR 14 4.816 -1.062 -13.254
120 HH TYR 14 HH TYR 14 5.284 1.815 -13.030
121 H HIS 15 H HIS 15 0.634 0.324 -8.371
122 HA HIS 15 HA HIS 15 -1.127 -0.983 -6.560
123 HB2 HIS 15 2HB HIS 15 0.670 1.402 -6.276
124 HB3 HIS 15 1HB HIS 15 -0.149 0.614 -4.915
125 HD1 HIS 15 1HD HIS 15 2.836 0.664 -4.727
126 HD2 HIS 15 2HD HIS 15 0.801 -2.326 -6.771
127 HE1 HIS 15 1HE HIS 15 4.437 -1.268 -4.885
128 HE2 HIS 15 2HE HIS 15 3.211 -3.037 -6.175
129 H ALA 16 H ALA 16 -1.076 1.680 -8.521
130 HA ALA 16 HA ALA 16 -3.078 3.332 -7.434
131 HB1 ALA 16 1HB ALA 16 -1.216 3.609 -9.281
132 HB2 ALA 16 2HB ALA 16 -2.744 4.494 -9.452
133 HB3 ALA 16 3HB ALA 16 -2.484 2.969 -10.342
134 H THR 17 H THR 17 -2.976 0.593 -9.432
135 HA THR 17 HA THR 17 -5.764 0.838 -10.224
136 HB THR 17 HB THR 17 -3.278 -0.410 -11.136
137 HG1 THR 17 1HG THR 17 -4.290 1.493 -11.894
138 HG21 THR 17 3HG2 THR 17 -5.883 -1.802 -11.419
139 HG22 THR 17 1HG2 THR 17 -4.244 -2.451 -11.465
140 HG23 THR 17 2HG2 THR 17 -4.911 -1.641 -12.882
141 H SER 18 H SER 18 -3.685 -0.692 -8.172
142 HA SER 18 HA SER 18 -5.617 -2.763 -7.469
143 HB2 SER 18 2HB SER 18 -3.886 -3.716 -6.043
144 HB3 SER 18 1HB SER 18 -3.301 -3.542 -7.696
145 HG SER 18 HG SER 18 -2.235 -2.577 -5.486
146 H GLY 19 H GLY 19 -4.578 0.316 -6.588
147 HA2 GLY 19 2HA GLY 19 -5.233 0.141 -3.787
148 HA3 GLY 19 1HA GLY 19 -4.957 1.623 -4.696
149 H ALA 20 H ALA 20 -6.820 1.933 -6.445
150 HA ALA 20 HA ALA 20 -9.207 2.386 -5.027
151 HB1 ALA 20 1HB ALA 20 -8.280 3.145 -7.472
152 HB2 ALA 20 2HB ALA 20 -9.951 3.340 -6.941
153 HB3 ALA 20 3HB ALA 20 -9.496 1.950 -7.927
154 H LEU 21 H LEU 21 -7.848 -0.336 -6.603
155 HA LEU 21 HA LEU 21 -10.285 -1.877 -6.424
156 HB2 LEU 21 2HB LEU 21 -7.661 -2.576 -7.707
157 HB3 LEU 21 1HB LEU 21 -9.094 -3.584 -7.728
158 HG LEU 21 HG LEU 21 -8.791 -0.888 -9.050
159 HD11 LEU 21 1HD1 LEU 21 -9.494 -3.308 -10.576
160 HD12 LEU 21 2HD1 LEU 21 -7.847 -3.240 -9.950
161 HD13 LEU 21 3HD1 LEU 21 -8.443 -1.958 -11.003
162 HD21 LEU 21 3HD2 LEU 21 -11.062 -1.674 -10.048
163 HD22 LEU 21 1HD2 LEU 21 -11.023 -0.893 -8.467
164 HD23 LEU 21 2HD2 LEU 21 -11.159 -2.648 -8.580
165 H SER 22 H SER 22 -8.113 -1.071 -4.315
166 HA SER 22 HA SER 22 -6.659 -2.284 -2.899
167 HB2 SER 22 2HB SER 22 -9.486 -2.328 -1.873
168 HB3 SER 22 1HB SER 22 -8.034 -2.487 -0.907
169 HG SER 22 HG SER 22 -8.856 -0.330 -0.993
170 HA PRO 23 HA PRO 23 -8.355 -6.708 -2.133
171 HB2 PRO 23 2HB PRO 23 -10.601 -6.900 -4.052
172 HB3 PRO 23 1HB PRO 23 -10.483 -7.552 -2.407
173 HG2 PRO 23 2HG PRO 23 -11.986 -5.429 -2.814
174 HG3 PRO 23 1HG PRO 23 -10.876 -5.478 -1.439
175 HD2 PRO 23 2HD PRO 23 -10.488 -4.110 -4.060
176 HD3 PRO 23 1HD PRO 23 -10.286 -3.464 -2.420
177 H ALA 24 H ALA 24 -8.068 -5.077 -4.821
178 HA ALA 24 HA ALA 24 -7.679 -6.921 -6.892
179 HB1 ALA 24 1HB ALA 24 -7.068 -4.111 -6.429
180 HB2 ALA 24 2HB ALA 24 -7.657 -4.920 -7.881
181 HB3 ALA 24 3HB ALA 24 -5.932 -4.910 -7.516
182 H LYS 25 H LYS 25 -5.433 -5.675 -4.483
183 HA LYS 25 HA LYS 25 -3.231 -7.207 -5.572
184 HB2 LYS 25 2HB LYS 25 -2.012 -6.300 -3.553
185 HB3 LYS 25 1HB LYS 25 -2.597 -5.101 -4.697
186 HG2 LYS 25 2HG LYS 25 -4.447 -4.565 -3.270
187 HG3 LYS 25 1HG LYS 25 -4.026 -5.869 -2.164
188 HD2 LYS 25 2HD LYS 25 -2.306 -3.461 -2.767
189 HD3 LYS 25 1HD LYS 25 -3.334 -3.640 -1.347
190 HE2 LYS 25 2HE LYS 25 -1.186 -4.222 -0.611
191 HE3 LYS 25 1HE LYS 25 -2.009 -5.760 -0.857
192 HZ1 LYS 25 3HZ LYS 25 -0.490 -6.357 -2.336
193 HZ2 LYS 25 1HZ LYS 25 0.401 -4.977 -1.933
194 HZ3 LYS 25 2HZ LYS 25 -0.684 -4.932 -3.228
195 H ASP 26 H ASP 26 -5.674 -7.582 -3.169
196 HA ASP 26 HA ASP 26 -6.196 -9.282 -1.751
197 HB2 ASP 26 2HB ASP 26 -5.906 -10.683 -3.747
198 HB3 ASP 26 1HB ASP 26 -4.183 -10.819 -3.409