Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
560312 | 2ls9 RC | 18418 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 19.747 1.403 4.465
2 H2 GLY 1 HT2 GLY 1 20.833 0.196 4.947
3 H3 GLY 1 HT3 GLY 1 19.162 -0.075 5.056
4 HA2 GLY 1 HA2 GLY 1 20.707 0.281 2.548
5 HA3 GLY 1 HA3 GLY 1 20.090 -1.244 3.164
6 H TRP 2 H TRP 2 17.938 -1.760 2.912
7 HA TRP 2 HA TRP 2 16.449 0.079 1.142
8 HB2 TRP 2 HB3 TRP 2 16.166 -2.930 1.276
9 HB3 TRP 2 HB2 TRP 2 15.446 -1.844 0.089
10 HD1 TRP 2 HD1 TRP 2 18.517 -3.877 0.744
11 HE1 TRP 2 HE1 TRP 2 20.227 -3.537 -1.149
12 HE3 TRP 2 HE3 TRP 2 16.329 0.113 -1.602
13 HZ2 TRP 2 HZ2 TRP 2 20.594 -1.800 -3.342
14 HZ3 TRP 2 HZ3 TRP 2 17.432 1.055 -3.588
15 HH2 TRP 2 HH2 TRP 2 19.519 0.120 -4.438
16 H GLY 3 H GLY 3 16.519 -0.481 4.208
17 HA2 GLY 3 HA3 GLY 3 13.900 -1.460 4.808
18 HA3 GLY 3 HA2 GLY 3 15.008 -0.688 5.938
19 H SER 4 H SER 4 15.102 1.572 3.820
20 HA SER 4 HA SER 4 13.102 3.198 5.045
21 HB2 SER 4 HB3 SER 4 14.833 3.769 2.628
22 HB3 SER 4 HB2 SER 4 13.923 4.963 3.552
23 HG SER 4 HG SER 4 15.965 3.295 4.623
24 H PHE 5 H PHE 5 12.636 0.816 2.967
25 HA PHE 5 HA PHE 5 10.573 2.227 1.412
26 HB2 PHE 5 HB3 PHE 5 12.011 -0.380 0.882
27 HB3 PHE 5 HB2 PHE 5 10.634 0.184 -0.059
28 HD1 PHE 5 HD2 PHE 5 14.168 0.765 0.738
29 HD2 PHE 5 HD1 PHE 5 10.861 1.952 -1.658
30 HE1 PHE 5 HE2 PHE 5 15.690 2.035 -0.722
31 HE2 PHE 5 HE1 PHE 5 12.376 3.225 -3.126
32 HZ PHE 5 HZ PHE 5 14.792 3.266 -2.657
33 H PHE 6 H PHE 6 9.835 1.878 3.904
34 HA PHE 6 HA PHE 6 8.841 -0.577 4.774
35 HB2 PHE 6 HB3 PHE 6 7.684 2.155 5.361
36 HB3 PHE 6 HB2 PHE 6 7.459 0.702 6.323
37 HD1 PHE 6 HD2 PHE 6 9.334 -0.210 7.638
38 HD2 PHE 6 HD1 PHE 6 9.635 3.488 5.557
39 HE1 PHE 6 HE2 PHE 6 11.294 0.392 8.999
40 HE2 PHE 6 HE1 PHE 6 11.594 4.100 6.912
41 HZ PHE 6 HZ PHE 6 12.424 2.548 8.637
42 H LYS 7 H LYS 7 7.637 -1.776 3.367
43 HA LYS 7 HA LYS 7 6.058 -2.345 1.837
44 HB2 LYS 7 HB3 LYS 7 4.580 -1.045 4.082
45 HB3 LYS 7 HB2 LYS 7 3.689 -1.598 2.673
46 HG2 LYS 7 HG3 LYS 7 3.624 -3.322 4.305
47 HG3 LYS 7 HG2 LYS 7 4.683 -3.856 3.007
48 HD2 LYS 7 HD3 LYS 7 5.727 -4.450 5.062
49 HD3 LYS 7 HD2 LYS 7 6.612 -3.069 4.408
50 HE2 LYS 7 HE3 LYS 7 5.436 -1.567 5.905
51 HE3 LYS 7 HE2 LYS 7 4.454 -2.901 6.511
52 HZ1 LYS 7 HZ1 LYS 7 6.215 -2.427 8.047
53 HZ2 LYS 7 HZ2 LYS 7 7.390 -2.573 6.834
54 HZ3 LYS 7 HZ3 LYS 7 6.517 -3.939 7.336
55 H LYS 8 H LYS 8 7.284 -0.564 0.534
56 HA LYS 8 HA LYS 8 6.173 1.921 0.090
57 HB2 LYS 8 HB3 LYS 8 7.600 2.177 -1.761
58 HB3 LYS 8 HB2 LYS 8 8.456 1.112 -0.658
59 HG2 LYS 8 HG3 LYS 8 6.898 0.209 -3.080
60 HG3 LYS 8 HG2 LYS 8 8.647 0.422 -3.010
61 HD2 LYS 8 HD3 LYS 8 7.167 -1.385 -1.129
62 HD3 LYS 8 HD2 LYS 8 7.740 -1.950 -2.702
63 HE2 LYS 8 HE3 LYS 8 10.038 -1.269 -2.046
64 HE3 LYS 8 HE2 LYS 8 9.417 -0.833 -0.456
65 HZ1 LYS 8 HZ1 LYS 8 10.413 -3.049 -0.474
66 HZ2 LYS 8 HZ2 LYS 8 9.293 -3.555 -1.646
67 HZ3 LYS 8 HZ3 LYS 8 8.759 -3.120 -0.099
68 H ALA 9 H ALA 9 5.182 -1.098 -1.110
69 HA ALA 9 HA ALA 9 3.638 -0.062 -3.314
70 HB1 ALA 9 HB1 ALA 9 4.663 -2.284 -3.440
71 HB2 ALA 9 HB2 ALA 9 2.912 -2.371 -3.626
72 HB3 ALA 9 HB3 ALA 9 3.658 -2.824 -2.095
73 H ALA 10 H ALA 10 3.054 -1.130 -0.019
74 HA ALA 10 HA ALA 10 0.202 -1.100 -0.230
75 HB1 ALA 10 HB1 ALA 10 1.399 -2.504 1.408
76 HB2 ALA 10 HB2 ALA 10 0.201 -1.453 2.165
77 HB3 ALA 10 HB3 ALA 10 1.915 -1.045 2.255
78 H HIS 11 H HIS 11 2.681 1.151 0.779
79 HA HIS 11 HA HIS 11 1.093 3.106 1.998
80 HB2 HIS 11 HB3 HIS 11 3.628 2.961 1.951
81 HB3 HIS 11 HB2 HIS 11 3.558 3.649 0.332
82 HD1 HIS 11 HD1 HIS 11 3.878 4.573 3.776
83 HD2 HIS 11 HD2 HIS 11 2.207 6.320 0.390
84 HE1 HIS 11 HE1 HIS 11 3.654 7.025 4.313
85 HE2 HIS 11 HE2 HIS 11 2.481 8.023 2.318
86 H VAL 12 H VAL 12 1.842 2.502 -1.386
87 HA VAL 12 HA VAL 12 0.478 4.887 -2.287
88 HB VAL 12 HB VAL 12 1.475 2.546 -3.927
89 HG11 VAL 12 HG11 VAL 12 -0.125 3.899 -5.134
90 HG12 VAL 12 HG12 VAL 12 1.495 4.180 -5.773
91 HG13 VAL 12 HG13 VAL 12 0.753 5.368 -4.702
92 HG21 VAL 12 HG21 VAL 12 2.871 5.130 -3.227
93 HG22 VAL 12 HG22 VAL 12 3.460 3.920 -4.367
94 HG23 VAL 12 HG23 VAL 12 3.309 3.517 -2.658
95 H GLY 13 H GLY 13 -0.188 1.468 -1.933
96 HA2 GLY 13 HA3 GLY 13 -2.502 1.348 -3.557
97 HA3 GLY 13 HA2 GLY 13 -2.073 0.212 -2.287
98 H LYS 14 H LYS 14 -2.084 1.969 -0.081
99 HA LYS 14 HA LYS 14 -4.837 1.914 0.527
100 HB2 LYS 14 HB3 LYS 14 -4.199 2.832 2.681
101 HB3 LYS 14 HB2 LYS 14 -3.086 1.571 2.182
102 HG2 LYS 14 HG3 LYS 14 -1.675 3.171 3.069
103 HG3 LYS 14 HG2 LYS 14 -1.602 3.498 1.339
104 HD2 LYS 14 HD3 LYS 14 -1.786 5.564 2.646
105 HD3 LYS 14 HD2 LYS 14 -3.191 5.335 1.606
106 HE2 LYS 14 HE3 LYS 14 -4.452 4.454 3.514
107 HE3 LYS 14 HE2 LYS 14 -3.048 4.701 4.553
108 HZ1 LYS 14 HZ1 LYS 14 -4.489 6.851 3.094
109 HZ2 LYS 14 HZ2 LYS 14 -3.188 7.063 4.158
110 HZ3 LYS 14 HZ3 LYS 14 -4.677 6.497 4.743
111 H HIS 15 H HIS 15 -3.127 4.189 -1.227
112 HA HIS 15 HA HIS 15 -4.200 6.640 -0.377
113 HB2 HIS 15 HB3 HIS 15 -2.369 6.119 -2.162
114 HB3 HIS 15 HB2 HIS 15 -3.728 6.015 -3.277
115 HD1 HIS 15 HD1 HIS 15 -4.236 8.128 -4.435
116 HD2 HIS 15 HD2 HIS 15 -2.419 8.782 -0.751
117 HE1 HIS 15 HE1 HIS 15 -3.901 10.615 -4.277
118 HE2 HIS 15 HE2 HIS 15 -2.558 10.942 -2.172
119 H VAL 16 H VAL 16 -5.420 4.159 -2.554
120 HA VAL 16 HA VAL 16 -7.934 5.625 -2.835
121 HB VAL 16 HB VAL 16 -8.495 3.739 -4.412
122 HG11 VAL 16 HG11 VAL 16 -7.284 4.789 -6.278
123 HG12 VAL 16 HG12 VAL 16 -6.231 5.599 -5.119
124 HG13 VAL 16 HG13 VAL 16 -7.948 5.993 -5.171
125 HG21 VAL 16 HG21 VAL 16 -5.523 3.287 -4.258
126 HG22 VAL 16 HG22 VAL 16 -6.606 2.567 -5.449
127 HG23 VAL 16 HG23 VAL 16 -6.775 2.159 -3.742
128 H GLY 17 H GLY 17 -7.454 4.682 -0.376
129 HA2 GLY 17 HA3 GLY 17 -8.304 2.071 0.220
130 HA3 GLY 17 HA2 GLY 17 -8.249 3.406 1.356
131 H LYS 18 H LYS 18 -10.113 4.720 -0.810
132 HA LYS 18 HA LYS 18 -12.503 4.404 0.608
133 HB2 LYS 18 HB3 LYS 18 -12.141 5.316 -2.251
134 HB3 LYS 18 HB2 LYS 18 -13.580 5.558 -1.276
135 HG2 LYS 18 HG3 LYS 18 -12.571 7.598 -1.091
136 HG3 LYS 18 HG2 LYS 18 -11.936 6.781 0.338
137 HD2 LYS 18 HD3 LYS 18 -9.871 6.268 -0.844
138 HD3 LYS 18 HD2 LYS 18 -10.512 6.996 -2.319
139 HE2 LYS 18 HE3 LYS 18 -10.714 9.152 -1.070
140 HE3 LYS 18 HE2 LYS 18 -9.885 8.384 0.282
141 HZ1 LYS 18 HZ1 LYS 18 -8.762 8.728 -2.451
142 HZ2 LYS 18 HZ2 LYS 18 -7.959 8.035 -1.124
143 HZ3 LYS 18 HZ3 LYS 18 -8.377 9.676 -1.102
144 H ALA 19 H ALA 19 -11.167 2.692 -2.131
145 HA ALA 19 HA ALA 19 -13.577 1.000 -2.216
146 HB1 ALA 19 HB1 ALA 19 -12.923 0.389 -4.482
147 HB2 ALA 19 HB2 ALA 19 -11.483 1.397 -4.349
148 HB3 ALA 19 HB3 ALA 19 -13.083 2.139 -4.330
149 H ALA 20 H ALA 20 -11.084 0.932 -0.463
150 HA ALA 20 HA ALA 20 -10.087 -1.737 -1.209
151 HB1 ALA 20 HB1 ALA 20 -8.903 0.299 0.669
152 HB2 ALA 20 HB2 ALA 20 -8.339 -0.072 -0.960
153 HB3 ALA 20 HB3 ALA 20 -8.218 -1.285 0.314
154 H LEU 21 H LEU 21 -12.201 -0.179 0.849
155 HA LEU 21 HA LEU 21 -11.860 -1.563 3.269
156 HB2 LEU 21 HB3 LEU 21 -14.255 -0.916 3.687
157 HB3 LEU 21 HB2 LEU 21 -13.159 0.398 3.318
158 HG LEU 21 HG LEU 21 -14.050 0.193 0.903
159 HD11 LEU 21 HD11 LEU 21 -15.223 -1.928 1.168
160 HD12 LEU 21 HD12 LEU 21 -16.343 -0.637 0.732
161 HD13 LEU 21 HD13 LEU 21 -16.263 -1.210 2.398
162 HD21 LEU 21 HD21 LEU 21 -15.827 1.195 3.122
163 HD22 LEU 21 HD22 LEU 21 -15.915 1.678 1.427
164 HD23 LEU 21 HD23 LEU 21 -14.490 2.077 2.387
165 H THR 22 H THR 22 -12.823 -2.707 0.290
166 HA THR 22 HA THR 22 -14.695 -4.710 1.134
167 HB THR 22 HB THR 22 -13.121 -4.966 -1.394
168 HG1 THR 22 HG1 THR 22 -14.022 -3.214 -2.277
169 HG21 THR 22 HG21 THR 22 -14.874 -6.593 -0.894
170 HG22 THR 22 HG22 THR 22 -15.325 -5.609 -2.286
171 HG23 THR 22 HG23 THR 22 -16.048 -5.290 -0.710
172 H HIS 23 H HIS 23 -11.274 -4.410 1.110
173 HA HIS 23 HA HIS 23 -10.988 -7.144 2.053
174 HB2 HIS 23 HB3 HIS 23 -9.030 -7.535 0.508
175 HB3 HIS 23 HB2 HIS 23 -10.606 -7.540 -0.271
176 HD1 HIS 23 HD1 HIS 23 -10.890 -6.033 -2.235
177 HD2 HIS 23 HD2 HIS 23 -7.533 -5.071 0.039
178 HE1 HIS 23 HE1 HIS 23 -9.667 -4.249 -3.532
179 HE2 HIS 23 HE2 HIS 23 -7.575 -3.773 -2.201
180 H TYR 24 H TYR 24 -10.847 -5.011 3.623
181 HA TYR 24 HA TYR 24 -8.122 -4.994 4.519
182 HB2 TYR 24 HB3 TYR 24 -7.901 -3.304 2.815
183 HB3 TYR 24 HB2 TYR 24 -9.342 -2.472 3.382
184 HD1 TYR 24 HD2 TYR 24 -5.841 -3.314 4.278
185 HD2 TYR 24 HD1 TYR 24 -9.212 -0.834 5.074
186 HE1 TYR 24 HE2 TYR 24 -4.444 -1.873 5.699
187 HE2 TYR 24 HE1 TYR 24 -7.817 0.613 6.487
188 HH TYR 24 HH TYR 24 -4.425 0.431 6.528
189 H LEU 25 H LEU 25 -11.044 -2.974 4.751
190 HA LEU 25 HA LEU 25 -10.653 -2.686 7.595
191 HB2 LEU 25 HB3 LEU 25 -11.213 -0.800 6.062
192 HB3 LEU 25 HB2 LEU 25 -12.769 -1.544 5.776
193 HG LEU 25 HG LEU 25 -13.280 -1.317 8.183
194 HD11 LEU 25 HD11 LEU 25 -11.875 0.153 9.539
195 HD12 LEU 25 HD12 LEU 25 -10.719 0.276 8.209
196 HD13 LEU 25 HD13 LEU 25 -10.982 -1.274 9.008
197 HD21 LEU 25 HD21 LEU 25 -13.733 1.057 8.069
198 HD22 LEU 25 HD22 LEU 25 -14.006 0.306 6.493
199 HD23 LEU 25 HD23 LEU 25 -12.540 1.240 6.782
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 16.924 1.216 -7.400
2 H2 GLY 1 HT2 GLY 1 18.168 2.036 -8.209
3 H3 GLY 1 HT3 GLY 1 16.793 1.531 -9.059
4 HA2 GLY 1 HA2 GLY 1 16.720 3.508 -6.849
5 HA3 GLY 1 HA3 GLY 1 16.845 3.954 -8.544
6 H TRP 2 H TRP 2 15.077 3.624 -9.924
7 HA TRP 2 HA TRP 2 12.546 3.983 -8.704
8 HB2 TRP 2 HB3 TRP 2 11.666 3.840 -11.041
9 HB3 TRP 2 HB2 TRP 2 12.981 4.994 -10.856
10 HD1 TRP 2 HD1 TRP 2 15.247 4.496 -12.149
11 HE1 TRP 2 HE1 TRP 2 15.871 2.838 -14.022
12 HE3 TRP 2 HE3 TRP 2 11.151 1.442 -11.927
13 HZ2 TRP 2 HZ2 TRP 2 14.766 0.554 -15.243
14 HZ3 TRP 2 HZ3 TRP 2 11.009 -0.455 -13.488
15 HH2 TRP 2 HH2 TRP 2 12.781 -0.887 -15.112
16 H GLY 3 H GLY 3 10.776 2.637 -8.567
17 HA2 GLY 3 HA3 GLY 3 9.557 0.674 -8.644
18 HA3 GLY 3 HA2 GLY 3 10.849 -0.066 -9.577
19 H SER 4 H SER 4 12.634 0.996 -7.232
20 HA SER 4 HA SER 4 12.476 -1.465 -5.724
21 HB2 SER 4 HB3 SER 4 14.365 0.872 -5.370
22 HB3 SER 4 HB2 SER 4 14.558 -0.755 -4.714
23 HG SER 4 HG SER 4 15.771 -0.714 -6.540
24 H PHE 5 H PHE 5 10.397 0.683 -5.550
25 HA PHE 5 HA PHE 5 10.574 1.332 -2.681
26 HB2 PHE 5 HB3 PHE 5 8.705 2.421 -4.804
27 HB3 PHE 5 HB2 PHE 5 8.757 2.939 -3.124
28 HD1 PHE 5 HD2 PHE 5 10.666 4.237 -2.284
29 HD2 PHE 5 HD1 PHE 5 10.311 3.185 -6.393
30 HE1 PHE 5 HE2 PHE 5 12.351 5.937 -2.862
31 HE2 PHE 5 HE1 PHE 5 11.995 4.882 -6.979
32 HZ PHE 5 HZ PHE 5 13.017 6.259 -5.209
33 H PHE 6 H PHE 6 9.768 -1.229 -4.162
34 HA PHE 6 HA PHE 6 6.982 -1.546 -3.964
35 HB2 PHE 6 HB3 PHE 6 7.436 -3.960 -4.285
36 HB3 PHE 6 HB2 PHE 6 8.257 -2.935 -5.456
37 HD1 PHE 6 HD1 PHE 6 10.701 -2.527 -5.225
38 HD2 PHE 6 HD2 PHE 6 8.637 -5.383 -2.835
39 HE1 PHE 6 HE1 PHE 6 12.838 -3.607 -4.681
40 HE2 PHE 6 HE2 PHE 6 10.776 -6.467 -2.283
41 HZ PHE 6 HZ PHE 6 12.878 -5.579 -3.206
42 H LYS 7 H LYS 7 9.406 -1.741 -1.496
43 HA LYS 7 HA LYS 7 7.991 -3.499 0.222
44 HB2 LYS 7 HB3 LYS 7 10.185 -1.494 0.724
45 HB3 LYS 7 HB2 LYS 7 9.557 -2.577 1.939
46 HG2 LYS 7 HG3 LYS 7 10.949 -3.370 -0.600
47 HG3 LYS 7 HG2 LYS 7 11.606 -3.459 1.035
48 HD2 LYS 7 HD3 LYS 7 9.187 -4.977 0.055
49 HD3 LYS 7 HD2 LYS 7 10.814 -5.648 0.192
50 HE2 LYS 7 HE3 LYS 7 10.790 -5.314 2.582
51 HE3 LYS 7 HE2 LYS 7 9.236 -4.485 2.483
52 HZ1 LYS 7 HZ1 LYS 7 8.998 -6.792 3.200
53 HZ2 LYS 7 HZ2 LYS 7 9.706 -7.332 1.755
54 HZ3 LYS 7 HZ3 LYS 7 8.216 -6.519 1.722
55 H LYS 8 H LYS 8 8.019 -0.021 -0.287
56 HA LYS 8 HA LYS 8 6.006 0.295 1.814
57 HB2 LYS 8 HB3 LYS 8 7.761 2.268 0.356
58 HB3 LYS 8 HB2 LYS 8 6.399 2.774 1.343
59 HG2 LYS 8 HG3 LYS 8 8.331 2.970 2.663
60 HG3 LYS 8 HG2 LYS 8 7.452 1.573 3.268
61 HD2 LYS 8 HD3 LYS 8 9.721 0.935 3.220
62 HD3 LYS 8 HD2 LYS 8 8.995 0.179 1.804
63 HE2 LYS 8 HE3 LYS 8 9.874 1.926 0.377
64 HE3 LYS 8 HE2 LYS 8 10.521 2.777 1.777
65 HZ1 LYS 8 HZ1 LYS 8 11.868 0.712 2.203
66 HZ2 LYS 8 HZ2 LYS 8 12.307 1.612 0.835
67 HZ3 LYS 8 HZ3 LYS 8 11.412 0.187 0.656
68 H ALA 9 H ALA 9 5.857 -0.711 -1.117
69 HA ALA 9 HA ALA 9 4.480 1.185 -2.658
70 HB1 ALA 9 HB1 ALA 9 5.579 -0.763 -3.626
71 HB2 ALA 9 HB2 ALA 9 3.887 -0.668 -4.116
72 HB3 ALA 9 HB3 ALA 9 4.381 -1.819 -2.874
73 H ALA 10 H ALA 10 3.311 -1.315 -0.453
74 HA ALA 10 HA ALA 10 0.596 -1.206 -1.118
75 HB1 ALA 10 HB1 ALA 10 0.173 -2.212 1.057
76 HB2 ALA 10 HB2 ALA 10 1.805 -1.801 1.579
77 HB3 ALA 10 HB3 ALA 10 1.562 -2.967 0.277
78 H HIS 11 H HIS 11 2.544 0.968 0.771
79 HA HIS 11 HA HIS 11 0.475 2.274 2.192
80 HB2 HIS 11 HB3 HIS 11 3.245 3.119 1.363
81 HB3 HIS 11 HB2 HIS 11 2.170 4.209 2.229
82 HD1 HIS 11 HD1 HIS 11 3.830 0.816 2.691
83 HD2 HIS 11 HD2 HIS 11 2.196 3.914 4.933
84 HE1 HIS 11 HE1 HIS 11 4.342 0.262 5.082
85 HE2 HIS 11 HE2 HIS 11 3.193 2.049 6.428
86 H VAL 12 H VAL 12 1.950 2.846 -0.957
87 HA VAL 12 HA VAL 12 0.237 5.142 -1.468
88 HB VAL 12 HB VAL 12 2.277 3.818 -3.273
89 HG11 VAL 12 HG11 VAL 12 0.956 6.518 -3.455
90 HG12 VAL 12 HG12 VAL 12 0.642 5.138 -4.503
91 HG13 VAL 12 HG13 VAL 12 2.225 5.917 -4.523
92 HG21 VAL 12 HG21 VAL 12 3.303 4.671 -1.222
93 HG22 VAL 12 HG22 VAL 12 2.567 6.248 -1.510
94 HG23 VAL 12 HG23 VAL 12 3.781 5.625 -2.627
95 H GLY 13 H GLY 13 0.583 1.793 -2.392
96 HA2 GLY 13 HA3 GLY 13 -1.118 1.713 -4.603
97 HA3 GLY 13 HA2 GLY 13 -0.776 0.360 -3.542
98 H LYS 14 H LYS 14 -1.849 1.552 -1.173
99 HA LYS 14 HA LYS 14 -4.647 1.124 -1.637
100 HB2 LYS 14 HB3 LYS 14 -4.887 1.248 0.755
101 HB3 LYS 14 HB2 LYS 14 -3.488 0.267 0.347
102 HG2 LYS 14 HG3 LYS 14 -1.997 2.076 0.900
103 HG3 LYS 14 HG2 LYS 14 -3.372 3.133 1.234
104 HD2 LYS 14 HD3 LYS 14 -4.058 1.749 3.068
105 HD3 LYS 14 HD2 LYS 14 -2.821 0.548 2.686
106 HE2 LYS 14 HE3 LYS 14 -2.016 1.841 4.519
107 HE3 LYS 14 HE2 LYS 14 -1.099 2.303 3.086
108 HZ1 LYS 14 HZ1 LYS 14 -3.190 3.824 4.508
109 HZ2 LYS 14 HZ2 LYS 14 -2.823 4.167 2.891
110 HZ3 LYS 14 HZ3 LYS 14 -1.619 4.315 4.078
111 H HIS 15 H HIS 15 -3.610 3.363 -2.995
112 HA HIS 15 HA HIS 15 -4.185 5.854 -1.910
113 HB2 HIS 15 HB3 HIS 15 -3.156 5.404 -4.155
114 HB3 HIS 15 HB2 HIS 15 -4.749 4.940 -4.743
115 HD1 HIS 15 HD1 HIS 15 -4.356 6.900 -6.514
116 HD2 HIS 15 HD2 HIS 15 -4.820 8.101 -2.559
117 HE1 HIS 15 HE1 HIS 15 -4.870 9.362 -6.604
118 HE2 HIS 15 HE2 HIS 15 -5.310 10.022 -4.216
119 H VAL 16 H VAL 16 -6.273 3.280 -2.841
120 HA VAL 16 HA VAL 16 -8.692 4.574 -3.293
121 HB VAL 16 HB VAL 16 -8.339 1.928 -1.885
122 HG11 VAL 16 HG11 VAL 16 -10.605 2.747 -1.788
123 HG12 VAL 16 HG12 VAL 16 -10.509 1.388 -2.912
124 HG13 VAL 16 HG13 VAL 16 -10.604 3.038 -3.529
125 HG21 VAL 16 HG21 VAL 16 -7.028 2.000 -3.954
126 HG22 VAL 16 HG22 VAL 16 -8.476 2.460 -4.849
127 HG23 VAL 16 HG23 VAL 16 -8.385 0.880 -4.072
128 H GLY 17 H GLY 17 -8.128 2.779 -0.258
129 HA2 GLY 17 HA3 GLY 17 -8.776 3.265 1.898
130 HA3 GLY 17 HA2 GLY 17 -8.842 4.959 1.432
131 H LYS 18 H LYS 18 -10.746 4.793 -0.600
132 HA LYS 18 HA LYS 18 -13.102 5.169 0.827
133 HB2 LYS 18 HB3 LYS 18 -12.694 4.574 -2.108
134 HB3 LYS 18 HB2 LYS 18 -14.188 5.187 -1.408
135 HG2 LYS 18 HG3 LYS 18 -13.367 7.277 -1.125
136 HG3 LYS 18 HG2 LYS 18 -11.724 6.715 -0.827
137 HD2 LYS 18 HD3 LYS 18 -11.851 7.941 -2.925
138 HD3 LYS 18 HD2 LYS 18 -11.447 6.248 -3.208
139 HE2 LYS 18 HE3 LYS 18 -13.744 5.779 -3.835
140 HE3 LYS 18 HE2 LYS 18 -14.203 7.445 -3.479
141 HZ1 LYS 18 HZ1 LYS 18 -12.761 8.200 -5.241
142 HZ2 LYS 18 HZ2 LYS 18 -13.850 7.056 -5.855
143 HZ3 LYS 18 HZ3 LYS 18 -12.242 6.617 -5.551
144 H ALA 19 H ALA 19 -12.077 2.340 -1.056
145 HA ALA 19 HA ALA 19 -14.438 0.883 -0.115
146 HB1 ALA 19 HB1 ALA 19 -13.813 -0.814 -1.774
147 HB2 ALA 19 HB2 ALA 19 -12.383 0.129 -2.191
148 HB3 ALA 19 HB3 ALA 19 -13.992 0.780 -2.506
149 H ALA 20 H ALA 20 -11.868 1.606 1.389
150 HA ALA 20 HA ALA 20 -11.210 -1.129 2.270
151 HB1 ALA 20 HB1 ALA 20 -9.315 0.014 1.217
152 HB2 ALA 20 HB2 ALA 20 -9.023 -0.305 2.928
153 HB3 ALA 20 HB3 ALA 20 -9.460 1.320 2.396
154 H LEU 21 H LEU 21 -12.031 2.141 3.185
155 HA LEU 21 HA LEU 21 -11.832 1.825 5.991
156 HB2 LEU 21 HB3 LEU 21 -13.257 3.852 6.097
157 HB3 LEU 21 HB2 LEU 21 -11.865 4.027 5.050
158 HG LEU 21 HG LEU 21 -13.509 3.473 3.128
159 HD11 LEU 21 HD11 LEU 21 -15.814 4.193 3.543
160 HD12 LEU 21 HD12 LEU 21 -15.451 4.336 5.265
161 HD13 LEU 21 HD13 LEU 21 -15.391 2.760 4.479
162 HD21 LEU 21 HD21 LEU 21 -14.083 5.827 2.921
163 HD22 LEU 21 HD22 LEU 21 -12.422 5.628 3.479
164 HD23 LEU 21 HD23 LEU 21 -13.688 6.084 4.620
165 H THR 22 H THR 22 -13.869 0.446 3.775
166 HA THR 22 HA THR 22 -16.183 0.154 5.475
167 HB THR 22 HB THR 22 -15.602 -1.570 3.080
168 HG1 THR 22 HG1 THR 22 -16.951 0.685 2.420
169 HG21 THR 22 HG21 THR 22 -17.649 -2.002 4.355
170 HG22 THR 22 HG22 THR 22 -18.031 -1.371 2.752
171 HG23 THR 22 HG23 THR 22 -18.133 -0.316 4.163
172 H HIS 23 H HIS 23 -13.125 -1.204 5.297
173 HA HIS 23 HA HIS 23 -13.965 -3.767 6.467
174 HB2 HIS 23 HB3 HIS 23 -11.248 -2.920 5.429
175 HB3 HIS 23 HB2 HIS 23 -11.666 -4.522 6.022
176 HD1 HIS 23 HD1 HIS 23 -10.771 -3.416 3.012
177 HD2 HIS 23 HD2 HIS 23 -14.413 -4.971 4.287
178 HE1 HIS 23 HE1 HIS 23 -11.930 -4.220 0.936
179 HE2 HIS 23 HE2 HIS 23 -14.217 -4.955 1.710
180 H TYR 24 H TYR 24 -11.388 -1.346 6.916
181 HA TYR 24 HA TYR 24 -11.385 -1.906 9.770
182 HB2 TYR 24 HB3 TYR 24 -9.438 -0.327 9.808
183 HB3 TYR 24 HB2 TYR 24 -9.205 -1.734 8.794
184 HD1 TYR 24 HD1 TYR 24 -10.095 1.884 8.640
185 HD2 TYR 24 HD2 TYR 24 -8.542 -1.495 6.578
186 HE1 TYR 24 HE1 TYR 24 -9.423 3.337 6.776
187 HE2 TYR 24 HE2 TYR 24 -7.870 -0.052 4.705
188 HH TYR 24 HH TYR 24 -7.804 3.340 4.930
189 H LEU 25 H LEU 25 -10.623 0.869 10.469
190 HA LEU 25 HA LEU 25 -11.503 2.798 11.136
191 HB2 LEU 25 HB3 LEU 25 -11.956 2.890 8.597
192 HB3 LEU 25 HB2 LEU 25 -13.614 2.543 9.040
193 HG LEU 25 HG LEU 25 -13.446 4.526 10.593
194 HD11 LEU 25 HD11 LEU 25 -11.803 6.213 10.053
195 HD12 LEU 25 HD12 LEU 25 -11.101 5.161 8.824
196 HD13 LEU 25 HD13 LEU 25 -11.009 4.711 10.526
197 HD21 LEU 25 HD21 LEU 25 -13.989 6.100 8.797
198 HD22 LEU 25 HD22 LEU 25 -14.757 4.533 8.540
199 HD23 LEU 25 HD23 LEU 25 -13.320 4.972 7.617
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 8.096 -1.120 -11.592
2 H2 GLY 1 HT2 GLY 1 7.086 -0.503 -10.380
3 H3 GLY 1 HT3 GLY 1 6.535 -1.754 -11.385
4 HA2 GLY 1 HA2 GLY 1 8.264 -3.221 -10.488
5 HA3 GLY 1 HA3 GLY 1 8.727 -1.925 -9.395
6 H TRP 2 H TRP 2 7.884 -4.515 -8.630
7 HA TRP 2 HA TRP 2 5.703 -3.769 -6.863
8 HB2 TRP 2 HB3 TRP 2 4.615 -4.746 -8.908
9 HB3 TRP 2 HB2 TRP 2 5.472 -6.248 -8.589
10 HD1 TRP 2 HD1 TRP 2 4.394 -7.896 -6.874
11 HE1 TRP 2 HE1 TRP 2 2.250 -7.856 -5.439
12 HE3 TRP 2 HE3 TRP 2 3.066 -3.000 -7.542
13 HZ2 TRP 2 HZ2 TRP 2 0.274 -5.987 -4.688
14 HZ3 TRP 2 HZ3 TRP 2 1.041 -2.166 -6.425
15 HH2 TRP 2 HH2 TRP 2 -0.326 -3.630 -5.028
16 H GLY 3 H GLY 3 7.798 -6.416 -8.003
17 HA2 GLY 3 HA3 GLY 3 7.946 -7.738 -5.487
18 HA3 GLY 3 HA2 GLY 3 9.063 -7.944 -6.831
19 H SER 4 H SER 4 9.098 -7.308 -3.740
20 HA SER 4 HA SER 4 10.438 -6.273 -2.252
21 HB2 SER 4 HB3 SER 4 12.047 -5.662 -4.722
22 HB3 SER 4 HB2 SER 4 12.618 -5.372 -3.079
23 HG SER 4 HG SER 4 12.866 -7.484 -2.777
24 H PHE 5 H PHE 5 8.492 -4.817 -4.302
25 HA PHE 5 HA PHE 5 9.112 -2.098 -3.338
26 HB2 PHE 5 HB3 PHE 5 9.229 -2.367 -5.805
27 HB3 PHE 5 HB2 PHE 5 7.559 -2.919 -5.810
28 HD1 PHE 5 HD1 PHE 5 9.703 -0.013 -4.959
29 HD2 PHE 5 HD2 PHE 5 5.810 -1.391 -5.986
30 HE1 PHE 5 HE1 PHE 5 8.951 2.316 -5.213
31 HE2 PHE 5 HE2 PHE 5 5.048 0.934 -6.241
32 HZ PHE 5 HZ PHE 5 6.622 2.790 -5.858
33 H PHE 6 H PHE 6 7.172 -4.703 -2.866
34 HA PHE 6 HA PHE 6 4.561 -3.718 -2.808
35 HB2 PHE 6 HB3 PHE 6 5.161 -6.122 -2.688
36 HB3 PHE 6 HB2 PHE 6 5.758 -5.875 -1.052
37 HD1 PHE 6 HD2 PHE 6 2.705 -5.593 -3.142
38 HD2 PHE 6 HD1 PHE 6 4.323 -6.075 0.766
39 HE1 PHE 6 HE2 PHE 6 0.448 -6.027 -2.268
40 HE2 PHE 6 HE1 PHE 6 2.069 -6.514 1.649
41 HZ PHE 6 HZ PHE 6 0.127 -6.489 0.131
42 H LYS 7 H LYS 7 7.137 -3.563 -0.406
43 HA LYS 7 HA LYS 7 5.675 -2.688 1.797
44 HB2 LYS 7 HB3 LYS 7 8.114 -3.367 1.630
45 HB3 LYS 7 HB2 LYS 7 8.429 -1.756 1.007
46 HG2 LYS 7 HG3 LYS 7 8.961 -1.739 3.282
47 HG3 LYS 7 HG2 LYS 7 7.446 -0.851 3.130
48 HD2 LYS 7 HD3 LYS 7 7.336 -2.325 5.054
49 HD3 LYS 7 HD2 LYS 7 6.231 -2.902 3.807
50 HE2 LYS 7 HE3 LYS 7 7.867 -4.567 3.110
51 HE3 LYS 7 HE2 LYS 7 9.004 -3.974 4.318
52 HZ1 LYS 7 HZ1 LYS 7 6.334 -5.089 4.978
53 HZ2 LYS 7 HZ2 LYS 7 7.583 -4.714 6.057
54 HZ3 LYS 7 HZ3 LYS 7 7.762 -6.005 4.970
55 H LYS 8 H LYS 8 6.991 -0.900 -0.963
56 HA LYS 8 HA LYS 8 6.029 1.626 0.031
57 HB2 LYS 8 HB3 LYS 8 7.446 0.792 -2.487
58 HB3 LYS 8 HB2 LYS 8 6.776 2.406 -2.314
59 HG2 LYS 8 HG3 LYS 8 9.040 2.584 -1.759
60 HG3 LYS 8 HG2 LYS 8 8.181 2.630 -0.223
61 HD2 LYS 8 HD3 LYS 8 10.069 1.225 0.088
62 HD3 LYS 8 HD2 LYS 8 8.667 0.161 -0.027
63 HE2 LYS 8 HE3 LYS 8 9.206 -0.435 -2.270
64 HE3 LYS 8 HE2 LYS 8 10.449 0.812 -2.365
65 HZ1 LYS 8 HZ1 LYS 8 11.780 -0.370 -0.782
66 HZ2 LYS 8 HZ2 LYS 8 11.355 -1.449 -2.020
67 HZ3 LYS 8 HZ3 LYS 8 10.563 -1.517 -0.523
68 H ALA 9 H ALA 9 4.966 -0.894 -1.996
69 HA ALA 9 HA ALA 9 3.016 0.540 -3.491
70 HB1 ALA 9 HB1 ALA 9 2.158 -1.630 -4.146
71 HB2 ALA 9 HB2 ALA 9 3.100 -2.410 -2.876
72 HB3 ALA 9 HB3 ALA 9 3.920 -1.627 -4.226
73 H ALA 10 H ALA 10 3.054 -1.003 -0.367
74 HA ALA 10 HA ALA 10 0.305 -1.069 0.181
75 HB1 ALA 10 HB1 ALA 10 1.966 -2.155 1.597
76 HB2 ALA 10 HB2 ALA 10 0.957 -1.060 2.542
77 HB3 ALA 10 HB3 ALA 10 2.594 -0.580 2.089
78 H HIS 11 H HIS 11 2.595 1.549 0.172
79 HA HIS 11 HA HIS 11 1.066 3.460 1.595
80 HB2 HIS 11 HB3 HIS 11 3.300 3.697 -0.412
81 HB3 HIS 11 HB2 HIS 11 2.507 5.120 0.253
82 HD1 HIS 11 HD1 HIS 11 3.898 6.085 2.019
83 HD2 HIS 11 HD2 HIS 11 4.059 1.931 2.051
84 HE1 HIS 11 HE1 HIS 11 5.363 5.479 3.960
85 HE2 HIS 11 HE2 HIS 11 5.310 2.968 4.071
86 H VAL 12 H VAL 12 1.303 2.595 -1.808
87 HA VAL 12 HA VAL 12 -0.519 4.604 -2.711
88 HB VAL 12 HB VAL 12 0.257 2.046 -4.129
89 HG11 VAL 12 HG11 VAL 12 -0.771 4.678 -5.168
90 HG12 VAL 12 HG12 VAL 12 -1.668 3.161 -5.096
91 HG13 VAL 12 HG13 VAL 12 -0.268 3.310 -6.161
92 HG21 VAL 12 HG21 VAL 12 2.256 3.281 -3.463
93 HG22 VAL 12 HG22 VAL 12 1.608 4.741 -4.209
94 HG23 VAL 12 HG23 VAL 12 2.020 3.349 -5.209
95 H GLY 13 H GLY 13 -0.722 1.281 -1.644
96 HA2 GLY 13 HA3 GLY 13 -3.314 0.631 -2.463
97 HA3 GLY 13 HA2 GLY 13 -2.498 -0.043 -1.061
98 H LYS 14 H LYS 14 -2.260 1.991 0.676
99 HA LYS 14 HA LYS 14 -4.928 2.374 1.559
100 HB2 LYS 14 HB3 LYS 14 -3.952 3.536 3.451
101 HB3 LYS 14 HB2 LYS 14 -3.069 2.062 3.100
102 HG2 LYS 14 HG3 LYS 14 -1.401 3.583 3.595
103 HG3 LYS 14 HG2 LYS 14 -1.427 3.573 1.834
104 HD2 LYS 14 HD3 LYS 14 -1.243 5.852 2.712
105 HD3 LYS 14 HD2 LYS 14 -2.752 5.621 1.828
106 HE2 LYS 14 HE3 LYS 14 -3.939 5.314 3.953
107 HE3 LYS 14 HE2 LYS 14 -2.425 5.565 4.830
108 HZ1 LYS 14 HZ1 LYS 14 -2.314 7.797 4.008
109 HZ2 LYS 14 HZ2 LYS 14 -3.846 7.570 4.698
110 HZ3 LYS 14 HZ3 LYS 14 -3.666 7.567 3.012
111 H HIS 15 H HIS 15 -2.859 4.169 -0.487
112 HA HIS 15 HA HIS 15 -3.851 6.783 -0.068
113 HB2 HIS 15 HB3 HIS 15 -1.786 5.983 -1.440
114 HB3 HIS 15 HB2 HIS 15 -2.943 5.762 -2.748
115 HD1 HIS 15 HD1 HIS 15 -0.498 7.976 -2.150
116 HD2 HIS 15 HD2 HIS 15 -4.603 8.549 -2.526
117 HE1 HIS 15 HE1 HIS 15 -0.795 10.389 -2.803
118 HE2 HIS 15 HE2 HIS 15 -3.268 10.654 -3.200
119 H VAL 16 H VAL 16 -4.642 4.313 -2.496
120 HA VAL 16 HA VAL 16 -7.188 5.668 -2.983
121 HB VAL 16 HB VAL 16 -7.433 3.939 -4.781
122 HG11 VAL 16 HG11 VAL 16 -6.861 6.264 -5.255
123 HG12 VAL 16 HG12 VAL 16 -6.012 5.184 -6.362
124 HG13 VAL 16 HG13 VAL 16 -5.154 5.903 -4.998
125 HG21 VAL 16 HG21 VAL 16 -5.791 2.326 -4.053
126 HG22 VAL 16 HG22 VAL 16 -4.507 3.525 -4.203
127 HG23 VAL 16 HG23 VAL 16 -5.337 2.938 -5.643
128 H GLY 17 H GLY 17 -6.857 4.432 -0.568
129 HA2 GLY 17 HA3 GLY 17 -7.710 1.720 -0.532
130 HA3 GLY 17 HA2 GLY 17 -7.606 2.789 0.856
131 H LYS 18 H LYS 18 -9.490 4.449 -1.226
132 HA LYS 18 HA LYS 18 -11.767 3.950 0.407
133 HB2 LYS 18 HB3 LYS 18 -12.938 5.614 -0.943
134 HB3 LYS 18 HB2 LYS 18 -11.370 6.192 -0.415
135 HG2 LYS 18 HG3 LYS 18 -11.803 5.039 -3.153
136 HG3 LYS 18 HG2 LYS 18 -12.098 6.739 -2.787
137 HD2 LYS 18 HD3 LYS 18 -9.697 6.723 -1.848
138 HD3 LYS 18 HD2 LYS 18 -9.516 5.214 -2.743
139 HE2 LYS 18 HE3 LYS 18 -10.233 7.916 -3.875
140 HE3 LYS 18 HE2 LYS 18 -8.712 7.055 -4.084
141 HZ1 LYS 18 HZ1 LYS 18 -10.007 5.278 -5.223
142 HZ2 LYS 18 HZ2 LYS 18 -9.997 6.763 -6.041
143 HZ3 LYS 18 HZ3 LYS 18 -11.371 6.290 -5.168
144 H ALA 19 H ALA 19 -10.618 2.435 -2.381
145 HA ALA 19 HA ALA 19 -13.193 1.014 -2.597
146 HB1 ALA 19 HB1 ALA 19 -12.781 2.291 -4.642
147 HB2 ALA 19 HB2 ALA 19 -12.688 0.556 -4.949
148 HB3 ALA 19 HB3 ALA 19 -11.210 1.507 -4.819
149 H ALA 20 H ALA 20 -10.711 0.658 -0.956
150 HA ALA 20 HA ALA 20 -10.043 -2.071 -1.831
151 HB1 ALA 20 HB1 ALA 20 -7.735 -1.733 -1.194
152 HB2 ALA 20 HB2 ALA 20 -8.089 -0.072 -0.720
153 HB3 ALA 20 HB3 ALA 20 -8.208 -0.551 -2.414
154 H LEU 21 H LEU 21 -10.263 0.231 0.844
155 HA LEU 21 HA LEU 21 -9.464 -1.483 2.898
156 HB2 LEU 21 HB3 LEU 21 -10.629 0.068 4.416
157 HB3 LEU 21 HB2 LEU 21 -9.616 0.890 3.252
158 HG LEU 21 HG LEU 21 -11.837 1.205 1.917
159 HD11 LEU 21 HD11 LEU 21 -13.805 1.435 3.351
160 HD12 LEU 21 HD12 LEU 21 -12.894 0.771 4.707
161 HD13 LEU 21 HD13 LEU 21 -13.236 -0.235 3.298
162 HD21 LEU 21 HD21 LEU 21 -12.249 3.292 3.115
163 HD22 LEU 21 HD22 LEU 21 -10.525 3.008 2.873
164 HD23 LEU 21 HD23 LEU 21 -11.256 2.719 4.451
165 H THR 22 H THR 22 -12.259 -1.553 1.018
166 HA THR 22 HA THR 22 -14.028 -2.708 2.962
167 HB THR 22 HB THR 22 -14.647 -3.170 0.134
168 HG1 THR 22 HG1 THR 22 -14.848 -0.477 0.739
169 HG21 THR 22 HG21 THR 22 -16.737 -2.074 0.767
170 HG22 THR 22 HG22 THR 22 -16.034 -1.588 2.308
171 HG23 THR 22 HG23 THR 22 -16.301 -3.298 1.964
172 H HIS 23 H HIS 23 -11.425 -3.892 1.166
173 HA HIS 23 HA HIS 23 -12.028 -6.643 1.756
174 HB2 HIS 23 HB3 HIS 23 -12.011 -7.418 -0.594
175 HB3 HIS 23 HB2 HIS 23 -13.387 -6.377 -0.255
176 HD1 HIS 23 HD1 HIS 23 -10.451 -6.716 -2.459
177 HD2 HIS 23 HD2 HIS 23 -13.152 -3.726 -1.408
178 HE1 HIS 23 HE1 HIS 23 -10.174 -4.906 -4.185
179 HE2 HIS 23 HE2 HIS 23 -11.712 -3.047 -3.446
180 H TYR 24 H TYR 24 -9.887 -4.844 2.393
181 HA TYR 24 HA TYR 24 -7.598 -6.307 1.597
182 HB2 TYR 24 HB3 TYR 24 -7.812 -5.262 -0.541
183 HB3 TYR 24 HB2 TYR 24 -8.143 -3.695 0.182
184 HD1 TYR 24 HD2 TYR 24 -5.497 -6.163 -0.553
185 HD2 TYR 24 HD1 TYR 24 -6.376 -2.250 0.879
186 HE1 TYR 24 HE2 TYR 24 -3.119 -5.564 -0.746
187 HE2 TYR 24 HE1 TYR 24 -3.999 -1.639 0.680
188 HH TYR 24 HH TYR 24 -1.768 -3.485 -1.034
189 H LEU 25 H LEU 25 -8.397 -2.899 2.307
190 HA LEU 25 HA LEU 25 -6.230 -2.792 4.206
191 HB2 LEU 25 HB3 LEU 25 -6.780 -1.013 2.484
192 HB3 LEU 25 HB2 LEU 25 -8.186 -0.630 3.457
193 HG LEU 25 HG LEU 25 -6.651 -0.154 5.359
194 HD11 LEU 25 HD11 LEU 25 -4.753 -1.471 4.542
195 HD12 LEU 25 HD12 LEU 25 -4.293 0.199 4.877
196 HD13 LEU 25 HD13 LEU 25 -4.547 -0.332 3.214
197 HD21 LEU 25 HD21 LEU 25 -6.030 2.039 4.530
198 HD22 LEU 25 HD22 LEU 25 -7.630 1.590 3.932
199 HD23 LEU 25 HD23 LEU 25 -6.228 1.486 2.867
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 9.732 10.626 -12.682
2 H2 GLY 1 HT2 GLY 1 9.319 10.029 -14.216
3 H3 GLY 1 HT3 GLY 1 9.735 8.959 -12.971
4 HA2 GLY 1 HA2 GLY 1 7.361 10.729 -12.955
5 HA3 GLY 1 HA3 GLY 1 7.339 9.017 -13.360
6 H TRP 2 H TRP 2 6.421 7.955 -11.725
7 HA TRP 2 HA TRP 2 7.219 8.711 -8.992
8 HB2 TRP 2 HB3 TRP 2 4.597 7.538 -9.931
9 HB3 TRP 2 HB2 TRP 2 5.028 7.828 -8.249
10 HD1 TRP 2 HD1 TRP 2 3.279 9.413 -11.052
11 HE1 TRP 2 HE1 TRP 2 2.879 11.921 -10.599
12 HE3 TRP 2 HE3 TRP 2 6.439 10.022 -7.074
13 HZ2 TRP 2 HZ2 TRP 2 3.801 13.890 -8.789
14 HZ3 TRP 2 HZ3 TRP 2 6.621 12.245 -6.040
15 HH2 TRP 2 HH2 TRP 2 5.328 14.139 -6.881
16 H GLY 3 H GLY 3 8.672 6.908 -10.648
17 HA2 GLY 3 HA3 GLY 3 8.020 4.227 -9.714
18 HA3 GLY 3 HA2 GLY 3 9.356 4.673 -10.770
19 H SER 4 H SER 4 9.001 6.582 -7.994
20 HA SER 4 HA SER 4 11.467 5.584 -6.884
21 HB2 SER 4 HB3 SER 4 9.673 7.696 -5.682
22 HB3 SER 4 HB2 SER 4 11.421 7.522 -5.516
23 HG SER 4 HG SER 4 11.702 8.215 -7.593
24 H PHE 5 H PHE 5 8.259 4.731 -6.600
25 HA PHE 5 HA PHE 5 8.449 4.082 -3.744
26 HB2 PHE 5 HB3 PHE 5 6.026 4.101 -5.551
27 HB3 PHE 5 HB2 PHE 5 6.019 3.800 -3.817
28 HD1 PHE 5 HD2 PHE 5 6.800 5.657 -2.280
29 HD2 PHE 5 HD1 PHE 5 5.888 6.273 -6.391
30 HE1 PHE 5 HE2 PHE 5 6.533 8.064 -1.857
31 HE2 PHE 5 HE1 PHE 5 5.621 8.685 -5.974
32 HZ PHE 5 HZ PHE 5 5.939 9.583 -3.706
33 H PHE 6 H PHE 6 9.358 2.145 -3.463
34 HA PHE 6 HA PHE 6 8.237 -0.119 -4.981
35 HB2 PHE 6 HB3 PHE 6 10.874 0.050 -3.503
36 HB3 PHE 6 HB2 PHE 6 10.273 -1.369 -4.353
37 HD1 PHE 6 HD1 PHE 6 9.749 -1.048 -6.876
38 HD2 PHE 6 HD2 PHE 6 12.236 1.550 -4.600
39 HE1 PHE 6 HE1 PHE 6 10.824 -0.266 -8.946
40 HE2 PHE 6 HE2 PHE 6 13.313 2.335 -6.667
41 HZ PHE 6 HZ PHE 6 12.608 1.426 -8.844
42 H LYS 7 H LYS 7 9.663 0.573 -1.788
43 HA LYS 7 HA LYS 7 8.087 -1.420 -0.489
44 HB2 LYS 7 HB3 LYS 7 10.014 0.701 0.386
45 HB3 LYS 7 HB2 LYS 7 9.033 -0.144 1.563
46 HG2 LYS 7 HG3 LYS 7 10.919 -1.447 -0.380
47 HG3 LYS 7 HG2 LYS 7 11.256 -1.137 1.325
48 HD2 LYS 7 HD3 LYS 7 9.030 -2.882 0.267
49 HD3 LYS 7 HD2 LYS 7 10.559 -3.463 0.928
50 HE2 LYS 7 HE3 LYS 7 10.032 -2.516 3.085
51 HE3 LYS 7 HE2 LYS 7 8.563 -1.784 2.438
52 HZ1 LYS 7 HZ1 LYS 7 9.084 -4.708 2.590
53 HZ2 LYS 7 HZ2 LYS 7 7.660 -3.969 2.045
54 HZ3 LYS 7 HZ3 LYS 7 8.112 -3.834 3.669
55 H LYS 8 H LYS 8 8.044 2.109 -0.754
56 HA LYS 8 HA LYS 8 5.839 2.499 0.952
57 HB2 LYS 8 HB3 LYS 8 7.164 4.170 -1.144
58 HB3 LYS 8 HB2 LYS 8 5.621 4.683 -0.478
59 HG2 LYS 8 HG3 LYS 8 7.216 5.803 0.786
60 HG3 LYS 8 HG2 LYS 8 6.717 4.458 1.805
61 HD2 LYS 8 HD3 LYS 8 9.099 4.655 1.936
62 HD3 LYS 8 HD2 LYS 8 8.723 3.204 1.005
63 HE2 LYS 8 HE3 LYS 8 9.285 4.242 -1.036
64 HE3 LYS 8 HE2 LYS 8 9.273 5.850 -0.309
65 HZ1 LYS 8 HZ1 LYS 8 11.524 4.996 -0.718
66 HZ2 LYS 8 HZ2 LYS 8 11.237 3.714 0.354
67 HZ3 LYS 8 HZ3 LYS 8 11.244 5.313 0.921
68 H ALA 9 H ALA 9 6.064 1.187 -2.119
69 HA ALA 9 HA ALA 9 3.518 2.001 -3.135
70 HB1 ALA 9 HB1 ALA 9 5.313 1.303 -4.632
71 HB2 ALA 9 HB2 ALA 9 3.872 0.312 -4.857
72 HB3 ALA 9 HB3 ALA 9 5.250 -0.326 -3.959
73 H ALA 10 H ALA 10 4.581 -0.345 -0.884
74 HA ALA 10 HA ALA 10 2.167 -1.944 -1.036
75 HB1 ALA 10 HB1 ALA 10 3.102 -3.177 0.846
76 HB2 ALA 10 HB2 ALA 10 4.384 -1.977 1.020
77 HB3 ALA 10 HB3 ALA 10 4.310 -2.986 -0.425
78 H HIS 11 H HIS 11 3.001 1.013 0.188
79 HA HIS 11 HA HIS 11 1.048 0.869 2.377
80 HB2 HIS 11 HB3 HIS 11 3.276 2.845 1.861
81 HB3 HIS 11 HB2 HIS 11 2.076 3.032 3.137
82 HD1 HIS 11 HD1 HIS 11 2.768 2.121 5.339
83 HD2 HIS 11 HD2 HIS 11 4.728 0.240 2.187
84 HE1 HIS 11 HE1 HIS 11 4.364 0.489 6.399
85 HE2 HIS 11 HE2 HIS 11 5.365 -0.789 4.466
86 H VAL 12 H VAL 12 2.006 2.707 -0.471
87 HA VAL 12 HA VAL 12 -0.385 4.336 -0.406
88 HB VAL 12 HB VAL 12 1.570 4.050 -2.699
89 HG11 VAL 12 HG11 VAL 12 -0.264 6.311 -1.903
90 HG12 VAL 12 HG12 VAL 12 -0.522 5.193 -3.242
91 HG13 VAL 12 HG13 VAL 12 0.843 6.310 -3.277
92 HG21 VAL 12 HG21 VAL 12 2.798 4.601 -0.655
93 HG22 VAL 12 HG22 VAL 12 1.721 5.969 -0.376
94 HG23 VAL 12 HG23 VAL 12 2.781 5.956 -1.785
95 H GLY 13 H GLY 13 0.030 1.203 -0.958
96 HA2 GLY 13 HA3 GLY 13 -1.339 0.690 -3.372
97 HA3 GLY 13 HA2 GLY 13 -1.200 -0.420 -2.020
98 H LYS 14 H LYS 14 -2.427 1.337 -0.124
99 HA LYS 14 HA LYS 14 -5.193 0.818 -0.668
100 HB2 LYS 14 HB3 LYS 14 -5.547 1.640 1.591
101 HB3 LYS 14 HB2 LYS 14 -4.178 0.536 1.550
102 HG2 LYS 14 HG3 LYS 14 -2.624 2.357 1.644
103 HG3 LYS 14 HG2 LYS 14 -3.936 3.530 1.534
104 HD2 LYS 14 HD3 LYS 14 -4.794 2.833 3.676
105 HD3 LYS 14 HD2 LYS 14 -3.592 1.540 3.774
106 HE2 LYS 14 HE3 LYS 14 -1.807 3.190 3.791
107 HE3 LYS 14 HE2 LYS 14 -2.984 4.494 3.663
108 HZ1 LYS 14 HZ1 LYS 14 -2.796 2.579 5.933
109 HZ2 LYS 14 HZ2 LYS 14 -3.874 3.883 5.814
110 HZ3 LYS 14 HZ3 LYS 14 -2.206 4.166 5.938
111 H HIS 15 H HIS 15 -3.894 2.709 -2.445
112 HA HIS 15 HA HIS 15 -4.351 5.399 -1.743
113 HB2 HIS 15 HB3 HIS 15 -2.833 4.548 -3.578
114 HB3 HIS 15 HB2 HIS 15 -4.288 4.277 -4.542
115 HD1 HIS 15 HD1 HIS 15 -4.566 6.088 -6.169
116 HD2 HIS 15 HD2 HIS 15 -3.017 7.488 -2.576
117 HE1 HIS 15 HE1 HIS 15 -4.331 8.578 -6.456
118 HE2 HIS 15 HE2 HIS 15 -3.571 9.423 -4.199
119 H VAL 16 H VAL 16 -6.504 2.946 -2.663
120 HA VAL 16 HA VAL 16 -8.535 4.380 -3.925
121 HB VAL 16 HB VAL 16 -8.913 2.144 -1.932
122 HG11 VAL 16 HG11 VAL 16 -10.674 3.129 -4.174
123 HG12 VAL 16 HG12 VAL 16 -10.975 3.320 -2.446
124 HG13 VAL 16 HG13 VAL 16 -10.989 1.712 -3.171
125 HG21 VAL 16 HG21 VAL 16 -7.339 1.476 -3.681
126 HG22 VAL 16 HG22 VAL 16 -8.482 1.990 -4.921
127 HG23 VAL 16 HG23 VAL 16 -8.876 0.633 -3.868
128 H GLY 17 H GLY 17 -7.987 3.823 -0.466
129 HA2 GLY 17 HA3 GLY 17 -8.596 5.104 1.338
130 HA3 GLY 17 HA2 GLY 17 -8.976 6.398 0.210
131 H LYS 18 H LYS 18 -10.962 5.246 -1.314
132 HA LYS 18 HA LYS 18 -13.165 5.727 0.470
133 HB2 LYS 18 HB3 LYS 18 -13.036 4.990 -2.455
134 HB3 LYS 18 HB2 LYS 18 -14.562 5.184 -1.606
135 HG2 LYS 18 HG3 LYS 18 -14.114 7.215 -2.751
136 HG3 LYS 18 HG2 LYS 18 -13.855 7.516 -1.034
137 HD2 LYS 18 HD3 LYS 18 -11.436 7.246 -1.371
138 HD3 LYS 18 HD2 LYS 18 -11.713 6.970 -3.088
139 HE2 LYS 18 HE3 LYS 18 -12.426 9.488 -1.595
140 HE3 LYS 18 HE2 LYS 18 -10.989 9.275 -2.592
141 HZ1 LYS 18 HZ1 LYS 18 -12.626 8.708 -4.436
142 HZ2 LYS 18 HZ2 LYS 18 -12.509 10.331 -3.972
143 HZ3 LYS 18 HZ3 LYS 18 -13.819 9.397 -3.443
144 H ALA 19 H ALA 19 -11.666 2.903 -0.885
145 HA ALA 19 HA ALA 19 -13.668 1.224 0.462
146 HB1 ALA 19 HB1 ALA 19 -12.909 -0.606 -0.946
147 HB2 ALA 19 HB2 ALA 19 -11.672 0.429 -1.660
148 HB3 ALA 19 HB3 ALA 19 -13.379 0.774 -1.938
149 H ALA 20 H ALA 20 -10.878 2.653 1.148
150 HA ALA 20 HA ALA 20 -9.522 0.324 2.295
151 HB1 ALA 20 HB1 ALA 20 -8.178 1.895 0.983
152 HB2 ALA 20 HB2 ALA 20 -7.648 1.813 2.663
153 HB3 ALA 20 HB3 ALA 20 -8.607 3.184 2.107
154 H LEU 21 H LEU 21 -11.420 3.052 3.108
155 HA LEU 21 HA LEU 21 -10.709 3.437 5.784
156 HB2 LEU 21 HB3 LEU 21 -12.937 4.473 6.022
157 HB3 LEU 21 HB2 LEU 21 -12.048 5.050 4.626
158 HG LEU 21 HG LEU 21 -13.460 3.266 3.330
159 HD11 LEU 21 HD11 LEU 21 -15.709 2.975 4.255
160 HD12 LEU 21 HD12 LEU 21 -15.185 3.749 5.752
161 HD13 LEU 21 HD13 LEU 21 -14.478 2.211 5.258
162 HD21 LEU 21 HD21 LEU 21 -14.670 5.834 4.339
163 HD22 LEU 21 HD22 LEU 21 -15.156 4.955 2.888
164 HD23 LEU 21 HD23 LEU 21 -13.551 5.683 2.987
165 H THR 22 H THR 22 -12.276 0.837 4.291
166 HA THR 22 HA THR 22 -13.941 -0.008 6.438
167 HB THR 22 HB THR 22 -12.799 -1.731 4.231
168 HG1 THR 22 HG1 THR 22 -15.291 -0.358 4.158
169 HG21 THR 22 HG21 THR 22 -13.945 -2.949 6.035
170 HG22 THR 22 HG22 THR 22 -14.843 -3.034 4.520
171 HG23 THR 22 HG23 THR 22 -15.372 -1.942 5.801
172 H HIS 23 H HIS 23 -10.569 -0.157 5.888
173 HA HIS 23 HA HIS 23 -10.014 -2.518 7.406
174 HB2 HIS 23 HB3 HIS 23 -8.353 -0.276 6.318
175 HB3 HIS 23 HB2 HIS 23 -7.656 -1.371 7.507
176 HD1 HIS 23 HD1 HIS 23 -8.585 -1.132 3.933
177 HD2 HIS 23 HD2 HIS 23 -7.353 -4.064 6.607
178 HE1 HIS 23 HE1 HIS 23 -7.886 -3.085 2.516
179 HE2 HIS 23 HE2 HIS 23 -6.925 -4.742 4.149
180 H TYR 24 H TYR 24 -10.960 0.607 8.304
181 HA TYR 24 HA TYR 24 -10.286 -0.038 11.071
182 HB2 TYR 24 HB3 TYR 24 -10.065 2.619 11.245
183 HB3 TYR 24 HB2 TYR 24 -8.693 1.563 10.963
184 HD1 TYR 24 HD1 TYR 24 -10.982 4.008 9.447
185 HD2 TYR 24 HD2 TYR 24 -7.559 1.558 8.835
186 HE1 TYR 24 HE1 TYR 24 -10.439 5.282 7.412
187 HE2 TYR 24 HE2 TYR 24 -7.016 2.812 6.795
188 HH TYR 24 HH TYR 24 -8.086 4.219 5.149
189 H LEU 25 H LEU 25 -12.474 1.435 8.813
190 HA LEU 25 HA LEU 25 -14.362 1.901 11.022
191 HB2 LEU 25 HB3 LEU 25 -14.251 3.285 8.339
192 HB3 LEU 25 HB2 LEU 25 -15.441 3.575 9.591
193 HG LEU 25 HG LEU 25 -12.490 4.129 9.833
194 HD11 LEU 25 HD11 LEU 25 -14.809 6.016 9.481
195 HD12 LEU 25 HD12 LEU 25 -13.638 5.588 8.234
196 HD13 LEU 25 HD13 LEU 25 -13.114 6.463 9.675
197 HD21 LEU 25 HD21 LEU 25 -13.473 3.598 11.981
198 HD22 LEU 25 HD22 LEU 25 -14.799 4.719 11.680
199 HD23 LEU 25 HD23 LEU 25 -13.158 5.331 11.882
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 12.882 -10.093 -3.628
2 H2 GLY 1 HT2 GLY 1 12.659 -8.423 -3.421
3 H3 GLY 1 HT3 GLY 1 11.733 -9.271 -4.563
4 HA2 GLY 1 HA2 GLY 1 10.631 -10.515 -2.831
5 HA3 GLY 1 HA3 GLY 1 11.628 -9.704 -1.628
6 H TRP 2 H TRP 2 8.672 -9.685 -3.143
7 HA TRP 2 HA TRP 2 8.201 -6.883 -3.325
8 HB2 TRP 2 HB3 TRP 2 6.860 -8.647 -4.511
9 HB3 TRP 2 HB2 TRP 2 6.148 -9.071 -2.957
10 HD1 TRP 2 HD1 TRP 2 4.084 -7.701 -2.201
11 HE1 TRP 2 HE1 TRP 2 2.823 -5.648 -3.121
12 HE3 TRP 2 HE3 TRP 2 7.354 -6.335 -5.879
13 HZ2 TRP 2 HZ2 TRP 2 3.186 -3.707 -5.138
14 HZ3 TRP 2 HZ3 TRP 2 6.824 -4.370 -7.259
15 HH2 TRP 2 HH2 TRP 2 4.782 -3.086 -6.894
16 H GLY 3 H GLY 3 8.443 -5.656 -1.589
17 HA2 GLY 3 HA3 GLY 3 6.970 -5.045 0.419
18 HA3 GLY 3 HA2 GLY 3 7.443 -6.638 1.002
19 H SER 4 H SER 4 10.128 -6.161 -0.348
20 HA SER 4 HA SER 4 11.493 -5.075 1.909
21 HB2 SER 4 HB3 SER 4 12.540 -5.701 -0.866
22 HB3 SER 4 HB2 SER 4 13.521 -5.439 0.576
23 HG SER 4 HG SER 4 13.332 -7.594 0.514
24 H PHE 5 H PHE 5 9.673 -3.503 -0.189
25 HA PHE 5 HA PHE 5 11.429 -1.157 -0.391
26 HB2 PHE 5 HB3 PHE 5 8.828 -1.655 -1.858
27 HB3 PHE 5 HB2 PHE 5 9.988 -0.367 -2.165
28 HD1 PHE 5 HD1 PHE 5 12.300 -1.023 -2.993
29 HD2 PHE 5 HD2 PHE 5 8.988 -3.693 -2.962
30 HE1 PHE 5 HE1 PHE 5 13.428 -2.441 -4.653
31 HE2 PHE 5 HE2 PHE 5 10.114 -5.116 -4.623
32 HZ PHE 5 HZ PHE 5 12.337 -4.489 -5.469
33 H PHE 6 H PHE 6 9.192 -2.506 1.522
34 HA PHE 6 HA PHE 6 7.424 -1.876 2.795
35 HB2 PHE 6 HB3 PHE 6 8.260 -0.162 4.519
36 HB3 PHE 6 HB2 PHE 6 9.094 -1.697 4.345
37 HD1 PHE 6 HD2 PHE 6 11.310 -1.798 3.305
38 HD2 PHE 6 HD1 PHE 6 9.353 1.911 4.034
39 HE1 PHE 6 HE2 PHE 6 13.448 -0.618 3.030
40 HE2 PHE 6 HE1 PHE 6 11.490 3.094 3.765
41 HZ PHE 6 HZ PHE 6 13.542 1.829 3.260
42 H LYS 7 H LYS 7 8.688 1.414 2.400
43 HA LYS 7 HA LYS 7 6.241 2.707 2.475
44 HB2 LYS 7 HB3 LYS 7 8.845 3.450 2.375
45 HB3 LYS 7 HB2 LYS 7 8.346 3.864 0.742
46 HG2 LYS 7 HG3 LYS 7 6.858 4.806 3.176
47 HG3 LYS 7 HG2 LYS 7 8.212 5.688 2.475
48 HD2 LYS 7 HD3 LYS 7 5.728 4.910 0.964
49 HD3 LYS 7 HD2 LYS 7 5.973 6.486 1.718
50 HE2 LYS 7 HE3 LYS 7 7.550 5.255 -0.540
51 HE3 LYS 7 HE2 LYS 7 6.531 6.695 -0.596
52 HZ1 LYS 7 HZ1 LYS 7 9.181 6.360 0.678
53 HZ2 LYS 7 HZ2 LYS 7 8.143 7.622 1.133
54 HZ3 LYS 7 HZ3 LYS 7 8.697 7.516 -0.468
55 H LYS 8 H LYS 8 8.065 1.460 -0.298
56 HA LYS 8 HA LYS 8 5.923 2.248 -2.115
57 HB2 LYS 8 HB3 LYS 8 8.684 1.119 -2.603
58 HB3 LYS 8 HB2 LYS 8 7.508 1.366 -3.881
59 HG2 LYS 8 HG3 LYS 8 8.966 3.207 -3.932
60 HG3 LYS 8 HG2 LYS 8 7.453 3.786 -3.240
61 HD2 LYS 8 HD3 LYS 8 9.260 4.717 -1.974
62 HD3 LYS 8 HD2 LYS 8 8.471 3.496 -0.975
63 HE2 LYS 8 HE3 LYS 8 10.879 3.301 -0.782
64 HE3 LYS 8 HE2 LYS 8 10.216 1.881 -1.593
65 HZ1 LYS 8 HZ1 LYS 8 11.298 4.181 -3.111
66 HZ2 LYS 8 HZ2 LYS 8 11.026 2.595 -3.649
67 HZ3 LYS 8 HZ3 LYS 8 12.294 2.916 -2.574
68 H ALA 9 H ALA 9 4.743 0.539 -0.666
69 HA ALA 9 HA ALA 9 4.602 -1.835 -2.375
70 HB1 ALA 9 HB1 ALA 9 5.805 -2.517 -0.357
71 HB2 ALA 9 HB2 ALA 9 4.228 -3.299 -0.458
72 HB3 ALA 9 HB3 ALA 9 4.472 -1.938 0.638
73 H ALA 10 H ALA 10 2.747 -1.372 0.570
74 HA ALA 10 HA ALA 10 0.377 -0.884 -1.103
75 HB1 ALA 10 HB1 ALA 10 0.530 -2.097 1.654
76 HB2 ALA 10 HB2 ALA 10 0.309 -2.984 0.144
77 HB3 ALA 10 HB3 ALA 10 -0.938 -1.869 0.702
78 H HIS 11 H HIS 11 2.510 0.713 0.785
79 HA HIS 11 HA HIS 11 0.810 2.235 2.473
80 HB2 HIS 11 HB3 HIS 11 3.639 2.609 1.532
81 HB3 HIS 11 HB2 HIS 11 2.826 3.843 2.494
82 HD1 HIS 11 HD1 HIS 11 4.504 0.572 2.736
83 HD2 HIS 11 HD2 HIS 11 2.126 2.991 5.138
84 HE1 HIS 11 HE1 HIS 11 4.719 -0.351 5.049
85 HE2 HIS 11 HE2 HIS 11 3.429 1.228 6.517
86 H VAL 12 H VAL 12 1.811 2.519 -0.837
87 HA VAL 12 HA VAL 12 0.558 5.142 -1.089
88 HB VAL 12 HB VAL 12 1.311 5.010 -3.468
89 HG11 VAL 12 HG11 VAL 12 3.407 4.699 -1.327
90 HG12 VAL 12 HG12 VAL 12 2.644 6.201 -1.856
91 HG13 VAL 12 HG13 VAL 12 3.713 5.318 -2.950
92 HG21 VAL 12 HG21 VAL 12 3.004 3.307 -4.048
93 HG22 VAL 12 HG22 VAL 12 1.405 2.617 -3.769
94 HG23 VAL 12 HG23 VAL 12 2.653 2.478 -2.532
95 H GLY 13 H GLY 13 -0.038 1.812 -1.723
96 HA2 GLY 13 HA3 GLY 13 -2.054 2.087 -3.696
97 HA3 GLY 13 HA2 GLY 13 -1.780 0.676 -2.687
98 H LYS 14 H LYS 14 -2.078 2.333 -0.219
99 HA LYS 14 HA LYS 14 -4.863 1.977 0.149
100 HB2 LYS 14 HB3 LYS 14 -4.486 2.838 2.385
101 HB3 LYS 14 HB2 LYS 14 -3.214 1.719 1.940
102 HG2 LYS 14 HG3 LYS 14 -1.866 3.271 2.763
103 HG3 LYS 14 HG2 LYS 14 -2.090 4.037 1.190
104 HD2 LYS 14 HD3 LYS 14 -3.687 5.539 2.029
105 HD3 LYS 14 HD2 LYS 14 -3.922 4.589 3.501
106 HE2 LYS 14 HE3 LYS 14 -2.597 6.551 4.005
107 HE3 LYS 14 HE2 LYS 14 -1.627 5.084 4.166
108 HZ1 LYS 14 HZ1 LYS 14 -0.568 5.513 2.101
109 HZ2 LYS 14 HZ2 LYS 14 -0.485 6.943 3.010
110 HZ3 LYS 14 HZ3 LYS 14 -1.609 6.800 1.748
111 H HIS 15 H HIS 15 -3.452 4.254 -1.637
112 HA HIS 15 HA HIS 15 -4.648 6.672 -0.797
113 HB2 HIS 15 HB3 HIS 15 -2.770 6.256 -2.556
114 HB3 HIS 15 HB2 HIS 15 -4.107 6.029 -3.681
115 HD1 HIS 15 HD1 HIS 15 -5.515 8.112 -4.300
116 HD2 HIS 15 HD2 HIS 15 -2.349 8.896 -1.718
117 HE1 HIS 15 HE1 HIS 15 -5.251 10.613 -4.286
118 HE2 HIS 15 HE2 HIS 15 -3.203 11.043 -2.882
119 H VAL 16 H VAL 16 -5.838 3.873 -2.373
120 HA VAL 16 HA VAL 16 -8.129 4.832 -3.657
121 HB VAL 16 HB VAL 16 -7.807 2.215 -2.192
122 HG11 VAL 16 HG11 VAL 16 -9.710 3.013 -4.389
123 HG12 VAL 16 HG12 VAL 16 -10.131 2.720 -2.701
124 HG13 VAL 16 HG13 VAL 16 -9.547 1.397 -3.707
125 HG21 VAL 16 HG21 VAL 16 -7.249 2.889 -5.079
126 HG22 VAL 16 HG22 VAL 16 -7.175 1.279 -4.367
127 HG23 VAL 16 HG23 VAL 16 -6.039 2.526 -3.847
128 H GLY 17 H GLY 17 -7.921 3.436 -0.389
129 HA2 GLY 17 HA3 GLY 17 -9.047 4.032 1.529
130 HA3 GLY 17 HA2 GLY 17 -9.595 5.484 0.700
131 H LYS 18 H LYS 18 -10.949 4.302 -1.465
132 HA LYS 18 HA LYS 18 -13.401 3.695 -0.060
133 HB2 LYS 18 HB3 LYS 18 -12.763 3.961 -2.995
134 HB3 LYS 18 HB2 LYS 18 -14.356 3.500 -2.418
135 HG2 LYS 18 HG3 LYS 18 -14.523 5.787 -2.790
136 HG3 LYS 18 HG2 LYS 18 -14.286 5.657 -1.047
137 HD2 LYS 18 HD3 LYS 18 -11.884 6.117 -1.374
138 HD3 LYS 18 HD2 LYS 18 -12.177 6.306 -3.102
139 HE2 LYS 18 HE3 LYS 18 -12.114 8.487 -2.154
140 HE3 LYS 18 HE2 LYS 18 -13.793 8.129 -2.554
141 HZ1 LYS 18 HZ1 LYS 18 -12.607 7.866 0.162
142 HZ2 LYS 18 HZ2 LYS 18 -14.240 7.643 -0.248
143 HZ3 LYS 18 HZ3 LYS 18 -13.534 9.182 -0.369
144 H ALA 19 H ALA 19 -11.926 1.971 -2.816
145 HA ALA 19 HA ALA 19 -13.191 -0.479 -1.951
146 HB1 ALA 19 HB1 ALA 19 -11.342 0.073 -4.267
147 HB2 ALA 19 HB2 ALA 19 -13.106 0.059 -4.313
148 HB3 ALA 19 HB3 ALA 19 -12.219 -1.431 -3.991
149 H ALA 20 H ALA 20 -10.991 0.770 -0.313
150 HA ALA 20 HA ALA 20 -9.237 -1.593 -0.240
151 HB1 ALA 20 HB1 ALA 20 -7.333 -0.211 0.269
152 HB2 ALA 20 HB2 ALA 20 -8.332 1.240 0.218
153 HB3 ALA 20 HB3 ALA 20 -8.055 0.307 -1.253
154 H LEU 21 H LEU 21 -11.499 0.145 1.402
155 HA LEU 21 HA LEU 21 -10.356 0.364 3.982
156 HB2 LEU 21 HB3 LEU 21 -12.715 0.565 4.764
157 HB3 LEU 21 HB2 LEU 21 -12.276 1.680 3.490
158 HG LEU 21 HG LEU 21 -13.373 -0.041 1.901
159 HD11 LEU 21 HD11 LEU 21 -13.613 -1.850 3.527
160 HD12 LEU 21 HD12 LEU 21 -15.174 -1.344 2.882
161 HD13 LEU 21 HD13 LEU 21 -14.684 -0.838 4.497
162 HD21 LEU 21 HD21 LEU 21 -15.011 1.616 3.809
163 HD22 LEU 21 HD22 LEU 21 -15.560 1.005 2.251
164 HD23 LEU 21 HD23 LEU 21 -14.247 2.179 2.325
165 H THR 22 H THR 22 -11.136 -2.333 2.215
166 HA THR 22 HA THR 22 -12.000 -3.999 4.423
167 HB THR 22 HB THR 22 -11.206 -5.374 1.976
168 HG1 THR 22 HG1 THR 22 -12.069 -4.051 0.581
169 HG21 THR 22 HG21 THR 22 -13.486 -6.243 2.125
170 HG22 THR 22 HG22 THR 22 -13.861 -5.060 3.378
171 HG23 THR 22 HG23 THR 22 -12.680 -6.332 3.693
172 H HIS 23 H HIS 23 -9.061 -2.905 3.226
173 HA HIS 23 HA HIS 23 -7.638 -5.394 3.832
174 HB2 HIS 23 HB3 HIS 23 -6.784 -2.882 2.396
175 HB3 HIS 23 HB2 HIS 23 -5.669 -4.177 2.815
176 HD1 HIS 23 HD1 HIS 23 -6.929 -3.113 -0.109
177 HD2 HIS 23 HD2 HIS 23 -7.412 -6.741 1.869
178 HE1 HIS 23 HE1 HIS 23 -7.612 -4.766 -1.875
179 HE2 HIS 23 HE2 HIS 23 -7.643 -6.995 -0.688
180 H TYR 24 H TYR 24 -8.235 -2.279 5.141
181 HA TYR 24 HA TYR 24 -6.431 -2.889 7.338
182 HB2 TYR 24 HB3 TYR 24 -5.827 -0.398 7.341
183 HB3 TYR 24 HB2 TYR 24 -5.028 -1.426 6.163
184 HD1 TYR 24 HD1 TYR 24 -7.832 0.991 6.571
185 HD2 TYR 24 HD2 TYR 24 -5.140 -0.915 3.888
186 HE1 TYR 24 HE1 TYR 24 -8.567 2.499 4.777
187 HE2 TYR 24 HE2 TYR 24 -5.867 0.585 2.085
188 HH TYR 24 HH TYR 24 -7.728 3.367 2.642
189 H LEU 25 H LEU 25 -6.930 -1.789 9.285
190 HA LEU 25 HA LEU 25 -8.254 -0.912 10.891
191 HB2 LEU 25 HB3 LEU 25 -9.608 0.538 8.613
192 HB3 LEU 25 HB2 LEU 25 -9.753 0.925 10.319
193 HG LEU 25 HG LEU 25 -7.216 1.099 8.700
194 HD11 LEU 25 HD11 LEU 25 -8.977 3.297 9.757
195 HD12 LEU 25 HD12 LEU 25 -8.943 2.748 8.084
196 HD13 LEU 25 HD13 LEU 25 -7.506 3.483 8.800
197 HD21 LEU 25 HD21 LEU 25 -6.812 0.599 11.059
198 HD22 LEU 25 HD22 LEU 25 -7.820 1.971 11.525
199 HD23 LEU 25 HD23 LEU 25 -6.307 2.241 10.657
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -4.428 -9.796 -6.055
2 H2 GLY 1 HT2 GLY 1 -3.854 -8.264 -5.619
3 H3 GLY 1 HT3 GLY 1 -3.618 -9.583 -4.579
4 HA2 GLY 1 HA2 GLY 1 -2.210 -10.643 -6.272
5 HA3 GLY 1 HA3 GLY 1 -2.399 -9.198 -7.255
6 H TRP 2 H TRP 2 -0.057 -10.532 -5.873
7 HA TRP 2 HA TRP 2 1.001 -8.096 -4.644
8 HB2 TRP 2 HB3 TRP 2 0.196 -9.636 -2.835
9 HB3 TRP 2 HB2 TRP 2 1.328 -10.847 -3.422
10 HD1 TRP 2 HD1 TRP 2 1.241 -7.465 -1.619
11 HE1 TRP 2 HE1 TRP 2 3.487 -7.126 -0.404
12 HE3 TRP 2 HE3 TRP 2 3.763 -11.521 -3.441
13 HZ2 TRP 2 HZ2 TRP 2 5.997 -8.416 -0.245
14 HZ3 TRP 2 HZ3 TRP 2 6.076 -11.900 -2.701
15 HH2 TRP 2 HH2 TRP 2 7.170 -10.379 -1.136
16 H GLY 3 H GLY 3 3.131 -7.728 -5.130
17 HA2 GLY 3 HA3 GLY 3 4.726 -9.799 -6.383
18 HA3 GLY 3 HA2 GLY 3 4.190 -8.515 -7.459
19 H SER 4 H SER 4 5.973 -7.435 -7.904
20 HA SER 4 HA SER 4 7.951 -6.850 -5.884
21 HB2 SER 4 HB3 SER 4 7.850 -5.667 -8.655
22 HB3 SER 4 HB2 SER 4 9.264 -5.997 -7.653
23 HG SER 4 HG SER 4 7.583 -7.857 -8.985
24 H PHE 5 H PHE 5 5.071 -5.748 -6.009
25 HA PHE 5 HA PHE 5 5.604 -2.873 -5.907
26 HB2 PHE 5 HB3 PHE 5 3.003 -4.327 -5.370
27 HB3 PHE 5 HB2 PHE 5 3.210 -2.612 -5.700
28 HD1 PHE 5 HD2 PHE 5 3.694 -1.834 -7.971
29 HD2 PHE 5 HD1 PHE 5 2.963 -5.942 -7.138
30 HE1 PHE 5 HE2 PHE 5 3.313 -2.251 -10.365
31 HE2 PHE 5 HE1 PHE 5 2.577 -6.365 -9.531
32 HZ PHE 5 HZ PHE 5 2.754 -4.517 -11.149
33 H PHE 6 H PHE 6 6.437 -5.122 -3.953
34 HA PHE 6 HA PHE 6 5.016 -5.266 -1.645
35 HB2 PHE 6 HB3 PHE 6 6.894 -6.681 -2.006
36 HB3 PHE 6 HB2 PHE 6 7.999 -5.315 -2.059
37 HD1 PHE 6 HD1 PHE 6 5.426 -6.614 0.322
38 HD2 PHE 6 HD2 PHE 6 9.380 -5.160 -0.258
39 HE1 PHE 6 HE1 PHE 6 5.878 -6.892 2.720
40 HE2 PHE 6 HE2 PHE 6 9.836 -5.434 2.142
41 HZ PHE 6 HZ PHE 6 8.085 -6.301 3.635
42 H LYS 7 H LYS 7 7.751 -2.954 -2.033
43 HA LYS 7 HA LYS 7 7.308 -1.929 0.572
44 HB2 LYS 7 HB3 LYS 7 9.128 -1.257 -1.693
45 HB3 LYS 7 HB2 LYS 7 8.986 -0.159 -0.340
46 HG2 LYS 7 HG3 LYS 7 9.797 -3.053 -0.185
47 HG3 LYS 7 HG2 LYS 7 10.869 -1.659 -0.034
48 HD2 LYS 7 HD3 LYS 7 8.543 -2.204 1.805
49 HD3 LYS 7 HD2 LYS 7 10.202 -2.693 2.146
50 HE2 LYS 7 HE3 LYS 7 9.517 0.162 1.526
51 HE3 LYS 7 HE2 LYS 7 9.340 -0.486 3.155
52 HZ1 LYS 7 HZ1 LYS 7 11.886 -0.936 1.785
53 HZ2 LYS 7 HZ2 LYS 7 11.573 -0.657 3.431
54 HZ3 LYS 7 HZ3 LYS 7 11.561 0.633 2.332
55 H LYS 8 H LYS 8 5.833 -1.160 -2.412
56 HA LYS 8 HA LYS 8 5.084 1.484 -1.396
57 HB2 LYS 8 HB3 LYS 8 4.916 0.445 -4.223
58 HB3 LYS 8 HB2 LYS 8 4.518 2.073 -3.699
59 HG2 LYS 8 HG3 LYS 8 6.622 2.331 -4.575
60 HG3 LYS 8 HG2 LYS 8 6.963 2.144 -2.860
61 HD2 LYS 8 HD3 LYS 8 8.531 0.812 -4.085
62 HD3 LYS 8 HD2 LYS 8 7.389 -0.282 -3.304
63 HE2 LYS 8 HE3 LYS 8 7.806 -1.002 -5.576
64 HE3 LYS 8 HE2 LYS 8 6.139 -0.451 -5.411
65 HZ1 LYS 8 HZ1 LYS 8 6.905 1.725 -6.331
66 HZ2 LYS 8 HZ2 LYS 8 6.985 0.434 -7.420
67 HZ3 LYS 8 HZ3 LYS 8 8.402 0.999 -6.678
68 H ALA 9 H ALA 9 3.904 -1.588 -1.672
69 HA ALA 9 HA ALA 9 1.401 -1.388 -2.826
70 HB1 ALA 9 HB1 ALA 9 0.811 -3.406 -1.613
71 HB2 ALA 9 HB2 ALA 9 2.165 -3.159 -0.511
72 HB3 ALA 9 HB3 ALA 9 2.468 -3.506 -2.214
73 H ALA 10 H ALA 10 1.897 -1.478 0.712
74 HA ALA 10 HA ALA 10 -0.706 -0.257 1.082
75 HB1 ALA 10 HB1 ALA 10 -0.383 -0.719 3.440
76 HB2 ALA 10 HB2 ALA 10 1.302 -1.145 3.150
77 HB3 ALA 10 HB3 ALA 10 0.013 -2.152 2.491
78 H HIS 11 H HIS 11 1.773 1.184 0.018
79 HA HIS 11 HA HIS 11 1.869 3.342 2.022
80 HB2 HIS 11 HB3 HIS 11 4.018 2.056 1.373
81 HB3 HIS 11 HB2 HIS 11 3.941 3.006 -0.111
82 HD1 HIS 11 HD1 HIS 11 5.088 5.202 0.003
83 HD2 HIS 11 HD2 HIS 11 3.927 3.838 3.757
84 HE1 HIS 11 HE1 HIS 11 5.865 6.940 1.640
85 HE2 HIS 11 HE2 HIS 11 4.997 6.188 3.877
86 H VAL 12 H VAL 12 1.779 2.700 -1.486
87 HA VAL 12 HA VAL 12 0.761 5.433 -1.847
88 HB VAL 12 HB VAL 12 1.120 5.143 -4.246
89 HG11 VAL 12 HG11 VAL 12 3.576 5.062 -4.228
90 HG12 VAL 12 HG12 VAL 12 3.524 4.456 -2.573
91 HG13 VAL 12 HG13 VAL 12 2.920 6.072 -2.940
92 HG21 VAL 12 HG21 VAL 12 2.351 3.195 -5.109
93 HG22 VAL 12 HG22 VAL 12 0.759 2.761 -4.480
94 HG23 VAL 12 HG23 VAL 12 2.209 2.426 -3.528
95 H GLY 13 H GLY 13 -0.073 2.060 -2.246
96 HA2 GLY 13 HA3 GLY 13 -2.474 2.433 -3.697
97 HA3 GLY 13 HA2 GLY 13 -2.053 1.012 -2.752
98 H LYS 14 H LYS 14 -1.694 2.747 -0.335
99 HA LYS 14 HA LYS 14 -4.227 2.427 0.796
100 HB2 LYS 14 HB3 LYS 14 -3.317 3.657 2.717
101 HB3 LYS 14 HB2 LYS 14 -2.190 2.452 2.112
102 HG2 LYS 14 HG3 LYS 14 -0.796 4.221 2.497
103 HG3 LYS 14 HG2 LYS 14 -1.174 4.448 0.792
104 HD2 LYS 14 HD3 LYS 14 -1.353 6.587 1.812
105 HD3 LYS 14 HD2 LYS 14 -3.004 6.029 1.530
106 HE2 LYS 14 HE3 LYS 14 -2.942 6.965 3.715
107 HE3 LYS 14 HE2 LYS 14 -3.036 5.217 3.900
108 HZ1 LYS 14 HZ1 LYS 14 -0.534 6.811 4.087
109 HZ2 LYS 14 HZ2 LYS 14 -0.679 5.142 4.351
110 HZ3 LYS 14 HZ3 LYS 14 -1.425 6.240 5.414
111 H HIS 15 H HIS 15 -2.981 4.955 -1.171
112 HA HIS 15 HA HIS 15 -4.553 7.117 -0.253
113 HB2 HIS 15 HB3 HIS 15 -3.237 6.502 -2.878
114 HB3 HIS 15 HB2 HIS 15 -4.286 7.905 -2.705
115 HD1 HIS 15 HD1 HIS 15 -0.942 7.464 -2.963
116 HD2 HIS 15 HD2 HIS 15 -3.226 9.088 0.120
117 HE1 HIS 15 HE1 HIS 15 0.628 8.921 -1.637
118 HE2 HIS 15 HE2 HIS 15 -0.751 9.817 0.276
119 H VAL 16 H VAL 16 -5.141 4.570 -2.607
120 HA VAL 16 HA VAL 16 -7.894 5.541 -2.835
121 HB VAL 16 HB VAL 16 -7.990 3.926 -4.773
122 HG11 VAL 16 HG11 VAL 16 -8.008 6.348 -5.055
123 HG12 VAL 16 HG12 VAL 16 -7.064 5.590 -6.337
124 HG13 VAL 16 HG13 VAL 16 -6.246 6.378 -4.989
125 HG21 VAL 16 HG21 VAL 16 -5.945 2.697 -4.340
126 HG22 VAL 16 HG22 VAL 16 -4.998 4.169 -4.555
127 HG23 VAL 16 HG23 VAL 16 -5.865 3.472 -5.922
128 H GLY 17 H GLY 17 -6.494 3.756 -0.841
129 HA2 GLY 17 HA3 GLY 17 -7.322 1.106 -1.020
130 HA3 GLY 17 HA2 GLY 17 -7.025 1.960 0.486
131 H LYS 18 H LYS 18 -9.273 3.831 -0.756
132 HA LYS 18 HA LYS 18 -11.330 2.647 0.874
133 HB2 LYS 18 HB3 LYS 18 -12.653 4.692 0.022
134 HB3 LYS 18 HB2 LYS 18 -11.293 4.957 1.098
135 HG2 LYS 18 HG3 LYS 18 -11.146 6.609 -0.568
136 HG3 LYS 18 HG2 LYS 18 -9.911 5.416 -0.964
137 HD2 LYS 18 HD3 LYS 18 -11.241 4.509 -2.718
138 HD3 LYS 18 HD2 LYS 18 -12.652 5.439 -2.211
139 HE2 LYS 18 HE3 LYS 18 -10.082 6.590 -3.300
140 HE3 LYS 18 HE2 LYS 18 -11.588 6.406 -4.197
141 HZ1 LYS 18 HZ1 LYS 18 -11.419 8.649 -3.431
142 HZ2 LYS 18 HZ2 LYS 18 -11.120 8.153 -1.838
143 HZ3 LYS 18 HZ3 LYS 18 -12.644 7.889 -2.534
144 H ALA 19 H ALA 19 -10.401 2.368 -2.346
145 HA ALA 19 HA ALA 19 -12.934 0.983 -2.918
146 HB1 ALA 19 HB1 ALA 19 -12.865 3.076 -4.206
147 HB2 ALA 19 HB2 ALA 19 -12.796 1.660 -5.254
148 HB3 ALA 19 HB3 ALA 19 -11.329 2.581 -4.917
149 H ALA 20 H ALA 20 -9.828 0.602 -2.233
150 HA ALA 20 HA ALA 20 -9.165 -1.318 -4.339
151 HB1 ALA 20 HB1 ALA 20 -6.934 -1.323 -3.332
152 HB2 ALA 20 HB2 ALA 20 -7.506 -0.228 -2.077
153 HB3 ALA 20 HB3 ALA 20 -7.456 0.307 -3.756
154 H LEU 21 H LEU 21 -10.159 -1.092 -1.070
155 HA LEU 21 HA LEU 21 -9.338 -3.619 -0.130
156 HB2 LEU 21 HB3 LEU 21 -11.037 -3.240 1.638
157 HB3 LEU 21 HB2 LEU 21 -9.940 -1.894 1.411
158 HG LEU 21 HG LEU 21 -11.823 -0.870 -0.043
159 HD11 LEU 21 HD11 LEU 21 -13.253 -2.831 -0.189
160 HD12 LEU 21 HD12 LEU 21 -14.084 -1.516 0.641
161 HD13 LEU 21 HD13 LEU 21 -13.416 -2.860 1.566
162 HD21 LEU 21 HD21 LEU 21 -12.132 -1.125 2.941
163 HD22 LEU 21 HD22 LEU 21 -12.825 0.141 1.928
164 HD23 LEU 21 HD23 LEU 21 -11.076 0.012 2.100
165 H THR 22 H THR 22 -11.608 -2.741 -2.423
166 HA THR 22 HA THR 22 -13.395 -4.995 -2.032
167 HB THR 22 HB THR 22 -13.259 -3.126 -4.408
168 HG1 THR 22 HG1 THR 22 -14.882 -2.866 -2.069
169 HG21 THR 22 HG21 THR 22 -15.513 -4.804 -3.293
170 HG22 THR 22 HG22 THR 22 -14.609 -5.134 -4.769
171 HG23 THR 22 HG23 THR 22 -15.633 -3.703 -4.669
172 H HIS 23 H HIS 23 -10.412 -4.391 -3.527
173 HA HIS 23 HA HIS 23 -10.792 -6.445 -5.578
174 HB2 HIS 23 HB3 HIS 23 -8.461 -4.569 -5.121
175 HB3 HIS 23 HB2 HIS 23 -8.636 -5.678 -6.477
176 HD1 HIS 23 HD1 HIS 23 -8.632 -2.331 -6.195
177 HD2 HIS 23 HD2 HIS 23 -11.637 -4.920 -7.455
178 HE1 HIS 23 HE1 HIS 23 -10.200 -0.932 -7.574
179 HE2 HIS 23 HE2 HIS 23 -11.918 -2.550 -8.463
180 H TYR 24 H TYR 24 -8.191 -5.574 -3.272
181 HA TYR 24 HA TYR 24 -7.649 -8.443 -3.011
182 HB2 TYR 24 HB3 TYR 24 -5.396 -7.674 -2.146
183 HB3 TYR 24 HB2 TYR 24 -5.701 -7.408 -3.852
184 HD1 TYR 24 HD1 TYR 24 -6.211 -5.533 -0.638
185 HD2 TYR 24 HD2 TYR 24 -4.921 -5.424 -4.688
186 HE1 TYR 24 HE1 TYR 24 -5.564 -3.178 -0.362
187 HE2 TYR 24 HE2 TYR 24 -4.277 -3.068 -4.427
188 HH TYR 24 HH TYR 24 -4.656 -1.190 -3.065
189 H LEU 25 H LEU 25 -6.525 -8.932 -0.838
190 HA LEU 25 HA LEU 25 -6.652 -9.186 1.401
191 HB2 LEU 25 HB3 LEU 25 -7.854 -6.419 1.375
192 HB3 LEU 25 HB2 LEU 25 -7.383 -7.292 2.819
193 HG LEU 25 HG LEU 25 -5.507 -6.440 0.617
194 HD11 LEU 25 HD11 LEU 25 -5.864 -5.300 3.379
195 HD12 LEU 25 HD12 LEU 25 -6.470 -4.569 1.895
196 HD13 LEU 25 HD13 LEU 25 -4.733 -4.750 2.143
197 HD21 LEU 25 HD21 LEU 25 -3.738 -7.094 2.139
198 HD22 LEU 25 HD22 LEU 25 -4.799 -8.467 1.817
199 HD23 LEU 25 HD23 LEU 25 -4.928 -7.594 3.343
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 14.509 -7.150 -7.775
2 H2 GLY 1 HT2 GLY 1 14.257 -6.182 -9.140
3 H3 GLY 1 HT3 GLY 1 12.945 -6.965 -8.407
4 HA2 GLY 1 HA2 GLY 1 14.566 -4.757 -7.263
5 HA3 GLY 1 HA3 GLY 1 12.897 -4.659 -7.802
6 H TRP 2 H TRP 2 11.571 -4.495 -6.151
7 HA TRP 2 HA TRP 2 10.447 -4.947 -4.239
8 HB2 TRP 2 HB3 TRP 2 12.227 -7.370 -4.217
9 HB3 TRP 2 HB2 TRP 2 11.107 -7.032 -2.902
10 HD1 TRP 2 HD1 TRP 2 11.069 -7.796 -6.696
11 HE1 TRP 2 HE1 TRP 2 8.789 -8.855 -7.276
12 HE3 TRP 2 HE3 TRP 2 8.771 -7.338 -2.142
13 HZ2 TRP 2 HZ2 TRP 2 6.355 -9.413 -5.977
14 HZ3 TRP 2 HZ3 TRP 2 6.467 -8.164 -1.902
15 HH2 TRP 2 HH2 TRP 2 5.286 -9.179 -3.779
16 H GLY 3 H GLY 3 13.963 -5.075 -4.019
17 HA2 GLY 3 HA3 GLY 3 14.137 -4.503 -1.256
18 HA3 GLY 3 HA2 GLY 3 15.411 -4.231 -2.440
19 H SER 4 H SER 4 13.874 -2.768 -0.145
20 HA SER 4 HA SER 4 13.210 -0.721 0.470
21 HB2 SER 4 HB3 SER 4 14.343 1.220 -0.453
22 HB3 SER 4 HB2 SER 4 15.490 -0.101 -0.263
23 HG SER 4 HG SER 4 14.718 -0.450 -2.645
24 H PHE 5 H PHE 5 11.857 -2.228 -1.869
25 HA PHE 5 HA PHE 5 9.927 -0.064 -2.371
26 HB2 PHE 5 HB3 PHE 5 11.175 -1.877 -4.423
27 HB3 PHE 5 HB2 PHE 5 9.592 -1.156 -4.691
28 HD1 PHE 5 HD1 PHE 5 9.355 1.227 -5.052
29 HD2 PHE 5 HD2 PHE 5 13.184 -0.525 -4.425
30 HE1 PHE 5 HE1 PHE 5 10.428 3.281 -5.877
31 HE2 PHE 5 HE2 PHE 5 14.262 1.527 -5.248
32 HZ PHE 5 HZ PHE 5 12.882 3.432 -5.975
33 H PHE 6 H PHE 6 10.135 -2.364 -0.544
34 HA PHE 6 HA PHE 6 7.754 -3.876 -1.364
35 HB2 PHE 6 HB3 PHE 6 9.527 -5.361 -0.774
36 HB3 PHE 6 HB2 PHE 6 9.915 -4.437 0.673
37 HD1 PHE 6 HD1 PHE 6 7.141 -6.413 -0.844
38 HD2 PHE 6 HD2 PHE 6 9.108 -5.152 2.712
39 HE1 PHE 6 HE1 PHE 6 5.686 -7.891 0.481
40 HE2 PHE 6 HE2 PHE 6 7.659 -6.627 4.042
41 HZ PHE 6 HZ PHE 6 5.944 -8.001 2.928
42 H LYS 7 H LYS 7 9.171 -2.146 1.395
43 HA LYS 7 HA LYS 7 6.862 -2.275 3.007
44 HB2 LYS 7 HB3 LYS 7 9.176 -1.900 3.831
45 HB3 LYS 7 HB2 LYS 7 9.144 -0.298 3.109
46 HG2 LYS 7 HG3 LYS 7 8.716 -0.114 5.456
47 HG3 LYS 7 HG2 LYS 7 7.256 0.274 4.558
48 HD2 LYS 7 HD3 LYS 7 6.878 -1.154 6.579
49 HD3 LYS 7 HD2 LYS 7 6.273 -1.836 5.067
50 HE2 LYS 7 HE3 LYS 7 7.389 -3.565 6.311
51 HE3 LYS 7 HE2 LYS 7 8.340 -3.158 4.885
52 HZ1 LYS 7 HZ1 LYS 7 8.900 -2.306 7.676
53 HZ2 LYS 7 HZ2 LYS 7 9.755 -1.762 6.320
54 HZ3 LYS 7 HZ3 LYS 7 9.795 -3.400 6.743
55 H LYS 8 H LYS 8 8.019 0.055 0.639
56 HA LYS 8 HA LYS 8 5.763 1.811 1.163
57 HB2 LYS 8 HB3 LYS 8 8.143 2.039 -0.676
58 HB3 LYS 8 HB2 LYS 8 6.825 3.200 -0.672
59 HG2 LYS 8 HG3 LYS 8 8.398 4.194 0.677
60 HG3 LYS 8 HG2 LYS 8 7.325 3.433 1.842
61 HD2 LYS 8 HD3 LYS 8 9.502 2.963 2.591
62 HD3 LYS 8 HD2 LYS 8 8.956 1.478 1.810
63 HE2 LYS 8 HE3 LYS 8 11.254 2.016 1.190
64 HE3 LYS 8 HE2 LYS 8 10.181 2.074 -0.207
65 HZ1 LYS 8 HZ1 LYS 8 10.948 4.493 1.330
66 HZ2 LYS 8 HZ2 LYS 8 10.212 4.421 -0.197
67 HZ3 LYS 8 HZ3 LYS 8 11.824 3.941 -0.009
68 H ALA 9 H ALA 9 5.947 -0.991 -0.369
69 HA ALA 9 HA ALA 9 4.993 -0.350 -2.985
70 HB1 ALA 9 HB1 ALA 9 4.851 -2.968 -1.492
71 HB2 ALA 9 HB2 ALA 9 6.166 -2.445 -2.545
72 HB3 ALA 9 HB3 ALA 9 4.563 -2.741 -3.218
73 H ALA 10 H ALA 10 3.499 -0.987 0.104
74 HA ALA 10 HA ALA 10 0.847 -1.162 -1.093
75 HB1 ALA 10 HB1 ALA 10 1.691 -1.410 1.791
76 HB2 ALA 10 HB2 ALA 10 1.442 -2.748 0.670
77 HB3 ALA 10 HB3 ALA 10 0.081 -1.731 1.149
78 H HIS 11 H HIS 11 2.568 1.340 -0.898
79 HA HIS 11 HA HIS 11 1.234 3.100 0.934
80 HB2 HIS 11 HB3 HIS 11 3.612 3.235 -0.268
81 HB3 HIS 11 HB2 HIS 11 2.678 4.201 -1.411
82 HD1 HIS 11 HD1 HIS 11 4.858 5.510 0.288
83 HD2 HIS 11 HD2 HIS 11 0.847 5.341 1.370
84 HE1 HIS 11 HE1 HIS 11 4.526 7.316 1.999
85 HE2 HIS 11 HE2 HIS 11 2.061 7.324 2.500
86 H VAL 12 H VAL 12 1.030 2.418 -2.518
87 HA VAL 12 HA VAL 12 -0.732 4.570 -3.122
88 HB VAL 12 HB VAL 12 -0.189 2.072 -4.737
89 HG11 VAL 12 HG11 VAL 12 -0.929 3.392 -6.650
90 HG12 VAL 12 HG12 VAL 12 -1.289 4.750 -5.585
91 HG13 VAL 12 HG13 VAL 12 -2.207 3.251 -5.445
92 HG21 VAL 12 HG21 VAL 12 1.157 4.771 -4.841
93 HG22 VAL 12 HG22 VAL 12 1.453 3.426 -5.943
94 HG23 VAL 12 HG23 VAL 12 1.870 3.275 -4.235
95 H GLY 13 H GLY 13 -1.175 1.114 -2.510
96 HA2 GLY 13 HA3 GLY 13 -3.868 0.867 -3.150
97 HA3 GLY 13 HA2 GLY 13 -3.033 -0.097 -1.943
98 H LYS 14 H LYS 14 -2.446 1.763 -0.002
99 HA LYS 14 HA LYS 14 -4.996 2.060 1.218
100 HB2 LYS 14 HB3 LYS 14 -3.790 2.845 3.152
101 HB3 LYS 14 HB2 LYS 14 -2.980 1.450 2.460
102 HG2 LYS 14 HG3 LYS 14 -1.225 2.849 3.013
103 HG3 LYS 14 HG2 LYS 14 -1.459 3.173 1.295
104 HD2 LYS 14 HD3 LYS 14 -1.120 5.238 2.597
105 HD3 LYS 14 HD2 LYS 14 -2.702 5.193 1.819
106 HE2 LYS 14 HE3 LYS 14 -2.886 6.035 4.095
107 HE3 LYS 14 HE2 LYS 14 -3.722 4.491 3.929
108 HZ1 LYS 14 HZ1 LYS 14 -2.434 4.609 5.973
109 HZ2 LYS 14 HZ2 LYS 14 -1.011 4.863 5.084
110 HZ3 LYS 14 HZ3 LYS 14 -1.841 3.391 4.953
111 H HIS 15 H HIS 15 -3.021 4.106 -0.714
112 HA HIS 15 HA HIS 15 -3.985 6.620 0.189
113 HB2 HIS 15 HB3 HIS 15 -1.942 6.285 -1.247
114 HB3 HIS 15 HB2 HIS 15 -3.029 5.928 -2.589
115 HD1 HIS 15 HD1 HIS 15 -2.395 7.943 -4.004
116 HD2 HIS 15 HD2 HIS 15 -3.688 8.952 -0.181
117 HE1 HIS 15 HE1 HIS 15 -2.714 10.439 -4.032
118 HE2 HIS 15 HE2 HIS 15 -3.645 11.005 -1.758
119 H VAL 16 H VAL 16 -5.168 4.194 -2.005
120 HA VAL 16 HA VAL 16 -7.243 5.689 -3.199
121 HB VAL 16 HB VAL 16 -7.239 2.731 -2.590
122 HG11 VAL 16 HG11 VAL 16 -9.442 3.583 -3.189
123 HG12 VAL 16 HG12 VAL 16 -8.793 2.577 -4.483
124 HG13 VAL 16 HG13 VAL 16 -8.773 4.334 -4.638
125 HG21 VAL 16 HG21 VAL 16 -6.356 2.426 -4.850
126 HG22 VAL 16 HG22 VAL 16 -5.244 3.366 -3.850
127 HG23 VAL 16 HG23 VAL 16 -6.254 4.177 -5.048
128 H GLY 17 H GLY 17 -7.243 3.520 -0.396
129 HA2 GLY 17 HA3 GLY 17 -8.568 3.513 1.484
130 HA3 GLY 17 HA2 GLY 17 -9.097 5.129 1.041
131 H LYS 18 H LYS 18 -10.175 4.511 -1.489
132 HA LYS 18 HA LYS 18 -12.804 3.817 -0.693
133 HB2 LYS 18 HB3 LYS 18 -11.708 3.849 -3.510
134 HB3 LYS 18 HB2 LYS 18 -13.386 4.046 -3.026
135 HG2 LYS 18 HG3 LYS 18 -11.128 5.966 -2.502
136 HG3 LYS 18 HG2 LYS 18 -12.446 6.173 -3.654
137 HD2 LYS 18 HD3 LYS 18 -14.051 6.172 -1.795
138 HD3 LYS 18 HD2 LYS 18 -12.715 6.000 -0.655
139 HE2 LYS 18 HE3 LYS 18 -13.386 8.313 -0.755
140 HE3 LYS 18 HE2 LYS 18 -11.786 8.139 -1.479
141 HZ1 LYS 18 HZ1 LYS 18 -14.368 8.407 -2.922
142 HZ2 LYS 18 HZ2 LYS 18 -12.879 8.110 -3.676
143 HZ3 LYS 18 HZ3 LYS 18 -13.129 9.564 -2.836
144 H ALA 19 H ALA 19 -10.225 1.999 -2.246
145 HA ALA 19 HA ALA 19 -11.976 -0.296 -2.643
146 HB1 ALA 19 HB1 ALA 19 -9.074 0.087 -3.377
147 HB2 ALA 19 HB2 ALA 19 -10.460 0.322 -4.447
148 HB3 ALA 19 HB3 ALA 19 -10.086 -1.288 -3.829
149 H ALA 20 H ALA 20 -11.242 0.575 0.070
150 HA ALA 20 HA ALA 20 -9.910 -1.908 0.951
151 HB1 ALA 20 HB1 ALA 20 -8.627 0.159 1.432
152 HB2 ALA 20 HB2 ALA 20 -9.072 -0.756 2.872
153 HB3 ALA 20 HB3 ALA 20 -9.966 0.703 2.444
154 H LEU 21 H LEU 21 -12.681 0.134 1.199
155 HA LEU 21 HA LEU 21 -13.678 -0.721 3.683
156 HB2 LEU 21 HB3 LEU 21 -15.863 0.117 2.879
157 HB3 LEU 21 HB2 LEU 21 -14.556 1.266 2.688
158 HG LEU 21 HG LEU 21 -14.465 0.364 0.239
159 HD11 LEU 21 HD11 LEU 21 -16.003 -1.497 0.534
160 HD12 LEU 21 HD12 LEU 21 -16.645 -0.334 -0.627
161 HD13 LEU 21 HD13 LEU 21 -17.283 -0.383 1.017
162 HD21 LEU 21 HD21 LEU 21 -16.130 2.046 -0.429
163 HD22 LEU 21 HD22 LEU 21 -15.050 2.635 0.832
164 HD23 LEU 21 HD23 LEU 21 -16.690 2.136 1.242
165 H THR 22 H THR 22 -13.275 -2.388 0.840
166 HA THR 22 HA THR 22 -15.484 -4.120 0.770
167 HB THR 22 HB THR 22 -12.684 -4.885 -0.047
168 HG1 THR 22 HG1 THR 22 -14.534 -3.287 -1.540
169 HG21 THR 22 HG21 THR 22 -14.438 -6.591 -0.274
170 HG22 THR 22 HG22 THR 22 -13.861 -6.053 -1.852
171 HG23 THR 22 HG23 THR 22 -15.404 -5.468 -1.230
172 H HIS 23 H HIS 23 -12.494 -4.149 2.627
173 HA HIS 23 HA HIS 23 -13.644 -6.315 4.252
174 HB2 HIS 23 HB3 HIS 23 -11.418 -7.276 4.632
175 HB3 HIS 23 HB2 HIS 23 -11.831 -7.306 2.924
176 HD1 HIS 23 HD1 HIS 23 -9.286 -6.124 5.297
177 HD2 HIS 23 HD2 HIS 23 -10.349 -5.377 1.345
178 HE1 HIS 23 HE1 HIS 23 -7.330 -4.907 4.280
179 HE2 HIS 23 HE2 HIS 23 -7.908 -4.665 1.839
180 H TYR 24 H TYR 24 -14.109 -3.735 4.784
181 HA TYR 24 HA TYR 24 -12.502 -3.194 7.166
182 HB2 TYR 24 HB3 TYR 24 -11.494 -1.965 5.238
183 HB3 TYR 24 HB2 TYR 24 -13.022 -1.127 5.017
184 HD1 TYR 24 HD2 TYR 24 -10.460 -1.747 7.667
185 HD2 TYR 24 HD1 TYR 24 -13.266 0.960 5.961
186 HE1 TYR 24 HE2 TYR 24 -9.690 0.011 9.207
187 HE2 TYR 24 HE1 TYR 24 -12.500 2.725 7.486
188 HH TYR 24 HH TYR 24 -9.657 2.567 9.202
189 H LEU 25 H LEU 25 -15.170 -1.989 5.130
190 HA LEU 25 HA LEU 25 -16.623 -1.075 7.464
191 HB2 LEU 25 HB3 LEU 25 -16.368 -0.067 4.997
192 HB3 LEU 25 HB2 LEU 25 -17.791 -1.053 4.733
193 HG LEU 25 HG LEU 25 -18.363 1.241 5.226
194 HD11 LEU 25 HD11 LEU 25 -19.935 0.875 7.068
195 HD12 LEU 25 HD12 LEU 25 -19.110 -0.633 7.460
196 HD13 LEU 25 HD13 LEU 25 -19.942 -0.458 5.913
197 HD21 LEU 25 HD21 LEU 25 -17.878 2.263 7.355
198 HD22 LEU 25 HD22 LEU 25 -16.382 1.753 6.567
199 HD23 LEU 25 HD23 LEU 25 -17.049 0.802 7.891
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 19.184 -5.774 -2.386
2 H2 GLY 1 HT2 GLY 1 20.305 -5.237 -1.230
3 H3 GLY 1 HT3 GLY 1 19.174 -4.157 -1.884
4 HA2 GLY 1 HA2 GLY 1 18.547 -6.499 -0.179
5 HA3 GLY 1 HA3 GLY 1 18.540 -4.822 0.347
6 H TRP 2 H TRP 2 16.816 -7.325 -1.237
7 HA TRP 2 HA TRP 2 14.746 -5.513 -2.197
8 HB2 TRP 2 HB3 TRP 2 15.463 -7.498 -3.547
9 HB3 TRP 2 HB2 TRP 2 14.808 -8.536 -2.286
10 HD1 TRP 2 HD1 TRP 2 13.638 -5.971 -4.920
11 HE1 TRP 2 HE1 TRP 2 11.172 -6.452 -5.482
12 HE3 TRP 2 HE3 TRP 2 12.734 -9.656 -1.490
13 HZ2 TRP 2 HZ2 TRP 2 9.120 -8.183 -4.596
14 HZ3 TRP 2 HZ3 TRP 2 10.500 -10.676 -1.418
15 HH2 TRP 2 HH2 TRP 2 8.731 -9.953 -2.939
16 H GLY 3 H GLY 3 12.818 -5.204 -1.222
17 HA2 GLY 3 HA3 GLY 3 11.060 -6.048 0.252
18 HA3 GLY 3 HA2 GLY 3 12.335 -6.671 1.296
19 H SER 4 H SER 4 13.655 -3.945 0.384
20 HA SER 4 HA SER 4 12.867 -2.492 2.726
21 HB2 SER 4 HB3 SER 4 14.556 -1.440 0.461
22 HB3 SER 4 HB2 SER 4 14.606 -0.983 2.162
23 HG SER 4 HG SER 4 16.249 -2.544 1.202
24 H PHE 5 H PHE 5 11.420 -2.868 -0.208
25 HA PHE 5 HA PHE 5 10.688 -0.045 -0.547
26 HB2 PHE 5 HB3 PHE 5 10.253 -2.398 -2.403
27 HB3 PHE 5 HB2 PHE 5 9.897 -0.714 -2.772
28 HD1 PHE 5 HD1 PHE 5 11.760 0.913 -3.007
29 HD2 PHE 5 HD2 PHE 5 12.443 -3.272 -2.604
30 HE1 PHE 5 HE1 PHE 5 14.045 1.202 -3.871
31 HE2 PHE 5 HE2 PHE 5 14.728 -2.985 -3.467
32 HZ PHE 5 HZ PHE 5 15.531 -0.746 -4.102
33 H PHE 6 H PHE 6 9.595 -1.547 1.611
34 HA PHE 6 HA PHE 6 6.983 -2.490 0.950
35 HB2 PHE 6 HB3 PHE 6 8.209 -3.306 2.917
36 HB3 PHE 6 HB2 PHE 6 8.150 -1.699 3.627
37 HD1 PHE 6 HD2 PHE 6 6.016 -4.510 2.495
38 HD2 PHE 6 HD1 PHE 6 6.338 -1.050 4.948
39 HE1 PHE 6 HE2 PHE 6 3.877 -5.073 3.565
40 HE2 PHE 6 HE1 PHE 6 4.195 -1.609 6.024
41 HZ PHE 6 HZ PHE 6 2.960 -3.623 5.332
42 H LYS 7 H LYS 7 8.309 0.592 1.975
43 HA LYS 7 HA LYS 7 5.905 1.785 2.810
44 HB2 LYS 7 HB3 LYS 7 8.527 2.919 1.887
45 HB3 LYS 7 HB2 LYS 7 7.159 3.974 2.213
46 HG2 LYS 7 HG3 LYS 7 8.511 3.922 4.160
47 HG3 LYS 7 HG2 LYS 7 7.050 2.999 4.507
48 HD2 LYS 7 HD3 LYS 7 8.926 1.801 5.393
49 HD3 LYS 7 HD2 LYS 7 8.310 0.928 3.984
50 HE2 LYS 7 HE3 LYS 7 10.104 1.655 2.630
51 HE3 LYS 7 HE2 LYS 7 10.589 2.887 3.792
52 HZ1 LYS 7 HZ1 LYS 7 10.761 -0.044 4.258
53 HZ2 LYS 7 HZ2 LYS 7 11.303 1.178 5.302
54 HZ3 LYS 7 HZ3 LYS 7 12.062 0.947 3.803
55 H LYS 8 H LYS 8 7.626 1.869 -0.289
56 HA LYS 8 HA LYS 8 5.468 3.321 -1.558
57 HB2 LYS 8 HB3 LYS 8 8.089 2.237 -2.577
58 HB3 LYS 8 HB2 LYS 8 6.910 3.007 -3.616
59 HG2 LYS 8 HG3 LYS 8 7.980 4.384 -1.180
60 HG3 LYS 8 HG2 LYS 8 8.823 4.432 -2.731
61 HD2 LYS 8 HD3 LYS 8 5.994 5.339 -2.205
62 HD3 LYS 8 HD2 LYS 8 7.392 6.379 -2.517
63 HE2 LYS 8 HE3 LYS 8 6.461 4.260 -4.431
64 HE3 LYS 8 HE2 LYS 8 5.865 5.926 -4.498
65 HZ1 LYS 8 HZ1 LYS 8 7.784 5.349 -6.002
66 HZ2 LYS 8 HZ2 LYS 8 8.753 5.241 -4.610
67 HZ3 LYS 8 HZ3 LYS 8 8.014 6.708 -5.017
68 H ALA 9 H ALA 9 5.166 0.498 -0.496
69 HA ALA 9 HA ALA 9 4.025 -0.601 -2.981
70 HB1 ALA 9 HB1 ALA 9 4.266 -2.841 -2.012
71 HB2 ALA 9 HB2 ALA 9 5.035 -2.139 -0.589
72 HB3 ALA 9 HB3 ALA 9 5.825 -2.030 -2.162
73 H ALA 10 H ALA 10 3.661 -0.761 0.558
74 HA ALA 10 HA ALA 10 0.907 -1.522 0.355
75 HB1 ALA 10 HB1 ALA 10 2.526 -0.675 2.751
76 HB2 ALA 10 HB2 ALA 10 2.310 -2.325 2.169
77 HB3 ALA 10 HB3 ALA 10 0.930 -1.426 2.797
78 H HIS 11 H HIS 11 2.578 1.425 1.467
79 HA HIS 11 HA HIS 11 0.249 2.756 2.317
80 HB2 HIS 11 HB3 HIS 11 2.591 3.308 3.023
81 HB3 HIS 11 HB2 HIS 11 2.849 4.033 1.441
82 HD1 HIS 11 HD1 HIS 11 1.431 4.696 4.779
83 HD2 HIS 11 HD2 HIS 11 1.355 6.451 1.005
84 HE1 HIS 11 HE1 HIS 11 0.567 7.034 5.130
85 HE2 HIS 11 HE2 HIS 11 0.780 8.142 2.880
86 H VAL 12 H VAL 12 1.826 2.578 -0.813
87 HA VAL 12 HA VAL 12 0.284 4.746 -1.925
88 HB VAL 12 HB VAL 12 1.268 4.088 -4.092
89 HG11 VAL 12 HG11 VAL 12 2.428 5.670 -2.653
90 HG12 VAL 12 HG12 VAL 12 3.580 4.671 -3.542
91 HG13 VAL 12 HG13 VAL 12 3.257 4.342 -1.839
92 HG21 VAL 12 HG21 VAL 12 2.656 1.934 -2.501
93 HG22 VAL 12 HG22 VAL 12 2.984 2.351 -4.183
94 HG23 VAL 12 HG23 VAL 12 1.418 1.681 -3.727
95 H GLY 13 H GLY 13 -0.012 1.301 -1.668
96 HA2 GLY 13 HA3 GLY 13 -1.976 0.988 -3.725
97 HA3 GLY 13 HA2 GLY 13 -1.585 -0.182 -2.472
98 H LYS 14 H LYS 14 -2.117 1.196 -0.184
99 HA LYS 14 HA LYS 14 -4.971 1.121 -0.106
100 HB2 LYS 14 HB3 LYS 14 -4.692 1.486 2.281
101 HB3 LYS 14 HB2 LYS 14 -3.580 0.260 1.694
102 HG2 LYS 14 HG3 LYS 14 -2.116 1.397 2.951
103 HG3 LYS 14 HG2 LYS 14 -1.989 2.395 1.502
104 HD2 LYS 14 HD3 LYS 14 -2.240 3.840 3.400
105 HD3 LYS 14 HD2 LYS 14 -3.739 3.886 2.461
106 HE2 LYS 14 HE3 LYS 14 -4.836 2.442 4.012
107 HE3 LYS 14 HE2 LYS 14 -3.327 2.108 4.858
108 HZ1 LYS 14 HZ1 LYS 14 -4.772 3.711 6.013
109 HZ2 LYS 14 HZ2 LYS 14 -4.602 4.783 4.709
110 HZ3 LYS 14 HZ3 LYS 14 -3.245 4.349 5.631
111 H HIS 15 H HIS 15 -3.137 3.414 -1.329
112 HA HIS 15 HA HIS 15 -3.903 5.848 -0.173
113 HB2 HIS 15 HB3 HIS 15 -2.134 5.611 -1.894
114 HB3 HIS 15 HB2 HIS 15 -3.368 5.224 -3.087
115 HD1 HIS 15 HD1 HIS 15 -1.923 8.102 -1.157
116 HD2 HIS 15 HD2 HIS 15 -4.732 7.405 -4.151
117 HE1 HIS 15 HE1 HIS 15 -2.474 10.361 -2.117
118 HE2 HIS 15 HE2 HIS 15 -3.978 9.879 -4.081
119 H VAL 16 H VAL 16 -5.575 3.637 -2.258
120 HA VAL 16 HA VAL 16 -7.603 5.398 -3.166
121 HB VAL 16 HB VAL 16 -7.735 2.395 -2.906
122 HG11 VAL 16 HG11 VAL 16 -9.296 4.316 -4.625
123 HG12 VAL 16 HG12 VAL 16 -9.912 3.398 -3.252
124 HG13 VAL 16 HG13 VAL 16 -9.393 2.558 -4.714
125 HG21 VAL 16 HG21 VAL 16 -5.783 3.050 -4.199
126 HG22 VAL 16 HG22 VAL 16 -6.785 4.083 -5.219
127 HG23 VAL 16 HG23 VAL 16 -7.007 2.333 -5.246
128 H GLY 17 H GLY 17 -7.799 2.728 -0.833
129 HA2 GLY 17 HA3 GLY 17 -8.992 2.505 1.108
130 HA3 GLY 17 HA2 GLY 17 -9.093 4.257 1.163
131 H LYS 18 H LYS 18 -10.361 3.696 -1.719
132 HA LYS 18 HA LYS 18 -12.468 3.729 -2.580
133 HB2 LYS 18 HB3 LYS 18 -12.850 1.822 -0.303
134 HB3 LYS 18 HB2 LYS 18 -14.253 2.402 -1.183
135 HG2 LYS 18 HG3 LYS 18 -13.674 0.343 -2.145
136 HG3 LYS 18 HG2 LYS 18 -13.135 1.578 -3.280
137 HD2 LYS 18 HD3 LYS 18 -10.864 1.306 -2.607
138 HD3 LYS 18 HD2 LYS 18 -11.328 0.275 -1.250
139 HE2 LYS 18 HE3 LYS 18 -12.177 -1.400 -2.820
140 HE3 LYS 18 HE2 LYS 18 -11.697 -0.375 -4.172
141 HZ1 LYS 18 HZ1 LYS 18 -10.112 -2.197 -3.589
142 HZ2 LYS 18 HZ2 LYS 18 -9.779 -1.378 -2.144
143 HZ3 LYS 18 HZ3 LYS 18 -9.432 -0.648 -3.636
144 H ALA 19 H ALA 19 -11.545 5.651 -0.461
145 HA ALA 19 HA ALA 19 -14.203 6.719 0.233
146 HB1 ALA 19 HB1 ALA 19 -13.273 7.612 2.302
147 HB2 ALA 19 HB2 ALA 19 -11.702 6.916 1.907
148 HB3 ALA 19 HB3 ALA 19 -13.076 5.862 2.232
149 H ALA 20 H ALA 20 -10.989 7.338 -0.967
150 HA ALA 20 HA ALA 20 -11.378 10.217 -0.969
151 HB1 ALA 20 HB1 ALA 20 -9.155 9.218 -0.539
152 HB2 ALA 20 HB2 ALA 20 -9.162 10.338 -1.902
153 HB3 ALA 20 HB3 ALA 20 -9.155 8.597 -2.191
154 H LEU 21 H LEU 21 -11.360 7.524 -3.192
155 HA LEU 21 HA LEU 21 -11.359 8.945 -5.604
156 HB2 LEU 21 HB3 LEU 21 -11.956 6.892 -6.644
157 HB3 LEU 21 HB2 LEU 21 -10.906 6.501 -5.295
158 HG LEU 21 HG LEU 21 -13.188 6.100 -4.032
159 HD11 LEU 21 HD11 LEU 21 -13.957 5.650 -6.913
160 HD12 LEU 21 HD12 LEU 21 -14.645 6.854 -5.822
161 HD13 LEU 21 HD13 LEU 21 -14.892 5.135 -5.508
162 HD21 LEU 21 HD21 LEU 21 -12.032 4.175 -6.044
163 HD22 LEU 21 HD22 LEU 21 -13.070 3.747 -4.683
164 HD23 LEU 21 HD23 LEU 21 -11.468 4.423 -4.391
165 H THR 22 H THR 22 -13.736 8.488 -3.239
166 HA THR 22 HA THR 22 -16.102 8.599 -4.753
167 HB THR 22 HB THR 22 -15.944 9.763 -1.998
168 HG1 THR 22 HG1 THR 22 -16.158 7.218 -1.611
169 HG21 THR 22 HG21 THR 22 -18.121 9.574 -3.069
170 HG22 THR 22 HG22 THR 22 -18.013 8.439 -1.725
171 HG23 THR 22 HG23 THR 22 -17.842 7.863 -3.382
172 H HIS 23 H HIS 23 -13.842 11.029 -3.742
173 HA HIS 23 HA HIS 23 -15.372 13.007 -5.280
174 HB2 HIS 23 HB3 HIS 23 -14.627 14.776 -3.651
175 HB3 HIS 23 HB2 HIS 23 -15.824 13.653 -3.018
176 HD1 HIS 23 HD1 HIS 23 -15.143 12.184 -1.048
177 HD2 HIS 23 HD2 HIS 23 -12.061 14.581 -2.482
178 HE1 HIS 23 HE1 HIS 23 -13.286 11.992 0.643
179 HE2 HIS 23 HE2 HIS 23 -11.542 13.652 -0.123
180 H TYR 24 H TYR 24 -13.497 11.527 -6.395
181 HA TYR 24 HA TYR 24 -11.192 13.300 -6.689
182 HB2 TYR 24 HB3 TYR 24 -10.485 11.696 -5.030
183 HB3 TYR 24 HB2 TYR 24 -11.069 10.360 -6.007
184 HD1 TYR 24 HD2 TYR 24 -8.734 13.257 -6.466
185 HD2 TYR 24 HD1 TYR 24 -9.451 9.097 -6.964
186 HE1 TYR 24 HE2 TYR 24 -6.492 12.993 -7.441
187 HE2 TYR 24 HE1 TYR 24 -7.214 8.816 -7.929
188 HH TYR 24 HH TYR 24 -5.541 10.259 -9.134
189 H LEU 25 H LEU 25 -13.084 10.572 -7.879
190 HA LEU 25 HA LEU 25 -12.218 11.288 -10.581
191 HB2 LEU 25 HB3 LEU 25 -12.401 8.862 -11.197
192 HB3 LEU 25 HB2 LEU 25 -11.047 9.291 -10.175
193 HG LEU 25 HG LEU 25 -12.481 8.492 -8.226
194 HD11 LEU 25 HD11 LEU 25 -13.938 7.090 -10.456
195 HD12 LEU 25 HD12 LEU 25 -14.604 8.390 -9.468
196 HD13 LEU 25 HD13 LEU 25 -14.178 6.845 -8.726
197 HD21 LEU 25 HD21 LEU 25 -11.498 6.523 -10.275
198 HD22 LEU 25 HD22 LEU 25 -11.754 6.198 -8.559
199 HD23 LEU 25 HD23 LEU 25 -10.507 7.340 -9.063
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 21.718 -4.831 3.158
2 H2 GLY 1 HT2 GLY 1 22.000 -5.994 1.958
3 H3 GLY 1 HT3 GLY 1 22.519 -6.275 3.551
4 HA2 GLY 1 HA2 GLY 1 20.556 -7.559 3.157
5 HA3 GLY 1 HA3 GLY 1 20.195 -6.267 4.296
6 H TRP 2 H TRP 2 18.049 -7.245 3.197
7 HA TRP 2 HA TRP 2 17.450 -5.939 0.668
8 HB2 TRP 2 HB3 TRP 2 15.871 -7.827 2.420
9 HB3 TRP 2 HB2 TRP 2 15.239 -7.125 0.932
10 HD1 TRP 2 HD1 TRP 2 16.410 -7.917 -1.382
11 HE1 TRP 2 HE1 TRP 2 17.639 -10.097 -1.983
12 HE3 TRP 2 HE3 TRP 2 17.370 -9.638 3.339
13 HZ2 TRP 2 HZ2 TRP 2 18.839 -12.264 -0.635
14 HZ3 TRP 2 HZ3 TRP 2 18.554 -11.778 3.595
15 HH2 TRP 2 HH2 TRP 2 19.273 -13.064 1.647
16 H GLY 3 H GLY 3 17.864 -3.853 1.999
17 HA2 GLY 3 HA3 GLY 3 15.621 -3.006 3.633
18 HA3 GLY 3 HA2 GLY 3 17.040 -2.047 3.232
19 H SER 4 H SER 4 15.992 -3.319 0.414
20 HA SER 4 HA SER 4 14.742 -0.905 -0.467
21 HB2 SER 4 HB3 SER 4 14.978 -3.594 -1.841
22 HB3 SER 4 HB2 SER 4 14.501 -2.083 -2.615
23 HG SER 4 HG SER 4 17.021 -2.862 -1.610
24 H PHE 5 H PHE 5 13.649 -3.628 1.185
25 HA PHE 5 HA PHE 5 10.940 -3.497 0.125
26 HB2 PHE 5 HB3 PHE 5 12.223 -5.219 2.253
27 HB3 PHE 5 HB2 PHE 5 10.504 -5.276 1.880
28 HD1 PHE 5 HD2 PHE 5 9.746 -6.086 -0.316
29 HD2 PHE 5 HD1 PHE 5 13.837 -6.243 0.849
30 HE1 PHE 5 HE2 PHE 5 10.189 -7.710 -2.106
31 HE2 PHE 5 HE1 PHE 5 14.287 -7.867 -0.943
32 HZ PHE 5 HZ PHE 5 12.467 -8.605 -2.419
33 H PHE 6 H PHE 6 11.084 -1.137 0.850
34 HA PHE 6 HA PHE 6 10.486 -0.740 3.672
35 HB2 PHE 6 HB3 PHE 6 11.901 0.875 2.394
36 HB3 PHE 6 HB2 PHE 6 10.515 1.251 1.382
37 HD1 PHE 6 HD2 PHE 6 11.634 1.275 4.926
38 HD2 PHE 6 HD1 PHE 6 9.102 2.991 1.963
39 HE1 PHE 6 HE2 PHE 6 10.970 3.032 6.514
40 HE2 PHE 6 HE1 PHE 6 8.438 4.751 3.545
41 HZ PHE 6 HZ PHE 6 9.368 4.772 5.826
42 H LYS 7 H LYS 7 8.858 -1.967 1.229
43 HA LYS 7 HA LYS 7 6.722 -2.238 0.583
44 HB2 LYS 7 HB3 LYS 7 6.381 -1.225 3.368
45 HB3 LYS 7 HB2 LYS 7 4.959 -1.385 2.346
46 HG2 LYS 7 HG3 LYS 7 5.154 -3.380 3.628
47 HG3 LYS 7 HG2 LYS 7 5.603 -3.766 1.976
48 HD2 LYS 7 HD3 LYS 7 7.164 -4.850 3.406
49 HD3 LYS 7 HD2 LYS 7 7.996 -3.487 2.644
50 HE2 LYS 7 HE3 LYS 7 7.482 -2.142 4.656
51 HE3 LYS 7 HE2 LYS 7 6.835 -3.588 5.423
52 HZ1 LYS 7 HZ1 LYS 7 9.053 -4.624 5.077
53 HZ2 LYS 7 HZ2 LYS 7 9.064 -3.316 6.152
54 HZ3 LYS 7 HZ3 LYS 7 9.637 -3.115 4.569
55 H LYS 8 H LYS 8 7.719 -0.399 -0.834
56 HA LYS 8 HA LYS 8 6.843 2.251 -0.516
57 HB2 LYS 8 HB3 LYS 8 7.770 0.720 -2.927
58 HB3 LYS 8 HB2 LYS 8 7.272 2.401 -3.037
59 HG2 LYS 8 HG3 LYS 8 9.587 2.499 -2.850
60 HG3 LYS 8 HG2 LYS 8 9.016 2.849 -1.222
61 HD2 LYS 8 HD3 LYS 8 10.854 1.333 -1.053
62 HD3 LYS 8 HD2 LYS 8 9.383 0.446 -0.657
63 HE2 LYS 8 HE3 LYS 8 10.771 -0.917 -2.070
64 HE3 LYS 8 HE2 LYS 8 9.340 -0.429 -2.973
65 HZ1 LYS 8 HZ1 LYS 8 11.903 1.047 -3.167
66 HZ2 LYS 8 HZ2 LYS 8 10.575 1.103 -4.224
67 HZ3 LYS 8 HZ3 LYS 8 11.553 -0.282 -4.160
68 H ALA 9 H ALA 9 5.802 0.162 -3.106
69 HA ALA 9 HA ALA 9 3.466 1.587 -3.688
70 HB1 ALA 9 HB1 ALA 9 4.528 0.058 -5.274
71 HB2 ALA 9 HB2 ALA 9 2.818 -0.312 -5.059
72 HB3 ALA 9 HB3 ALA 9 4.040 -1.315 -4.279
73 H ALA 10 H ALA 10 4.044 -1.124 -1.533
74 HA ALA 10 HA ALA 10 1.392 -1.857 -1.019
75 HB1 ALA 10 HB1 ALA 10 3.300 -3.222 -0.372
76 HB2 ALA 10 HB2 ALA 10 2.257 -2.897 1.014
77 HB3 ALA 10 HB3 ALA 10 3.771 -2.012 0.822
78 H HIS 11 H HIS 11 3.417 0.633 0.495
79 HA HIS 11 HA HIS 11 1.425 1.249 2.489
80 HB2 HIS 11 HB3 HIS 11 4.053 1.590 2.538
81 HB3 HIS 11 HB2 HIS 11 3.637 3.145 1.822
82 HD1 HIS 11 HD1 HIS 11 2.498 4.888 3.337
83 HD2 HIS 11 HD2 HIS 11 3.199 1.227 5.190
84 HE1 HIS 11 HE1 HIS 11 2.062 5.267 5.786
85 HE2 HIS 11 HE2 HIS 11 2.309 2.992 6.854
86 H VAL 12 H VAL 12 2.326 2.421 -0.668
87 HA VAL 12 HA VAL 12 0.587 4.714 -0.579
88 HB VAL 12 HB VAL 12 1.767 3.356 -3.019
89 HG11 VAL 12 HG11 VAL 12 1.526 5.552 -4.078
90 HG12 VAL 12 HG12 VAL 12 0.768 6.175 -2.613
91 HG13 VAL 12 HG13 VAL 12 -0.033 4.917 -3.554
92 HG21 VAL 12 HG21 VAL 12 2.898 5.605 -1.362
93 HG22 VAL 12 HG22 VAL 12 3.579 4.988 -2.867
94 HG23 VAL 12 HG23 VAL 12 3.525 3.960 -1.435
95 H GLY 13 H GLY 13 -0.003 1.513 -0.539
96 HA2 GLY 13 HA3 GLY 13 -2.116 1.147 -2.368
97 HA3 GLY 13 HA2 GLY 13 -1.864 0.221 -0.895
98 H LYS 14 H LYS 14 -1.940 3.124 0.370
99 HA LYS 14 HA LYS 14 -4.623 3.114 1.208
100 HB2 LYS 14 HB3 LYS 14 -4.110 5.302 2.196
101 HB3 LYS 14 HB2 LYS 14 -2.848 4.126 2.514
102 HG2 LYS 14 HG3 LYS 14 -1.704 6.101 2.030
103 HG3 LYS 14 HG2 LYS 14 -1.595 5.148 0.550
104 HD2 LYS 14 HD3 LYS 14 -2.098 7.408 -0.065
105 HD3 LYS 14 HD2 LYS 14 -3.551 6.435 -0.328
106 HE2 LYS 14 HE3 LYS 14 -4.434 7.212 1.829
107 HE3 LYS 14 HE2 LYS 14 -3.006 8.221 2.045
108 HZ1 LYS 14 HZ1 LYS 14 -5.005 8.464 -0.141
109 HZ2 LYS 14 HZ2 LYS 14 -3.615 9.421 0.021
110 HZ3 LYS 14 HZ3 LYS 14 -4.844 9.511 1.184
111 H HIS 15 H HIS 15 -3.319 3.984 -1.745
112 HA HIS 15 HA HIS 15 -4.728 6.211 -2.606
113 HB2 HIS 15 HB3 HIS 15 -2.971 5.056 -3.920
114 HB3 HIS 15 HB2 HIS 15 -4.083 3.721 -4.201
115 HD1 HIS 15 HD1 HIS 15 -3.252 7.164 -5.375
116 HD2 HIS 15 HD2 HIS 15 -6.124 4.234 -6.081
117 HE1 HIS 15 HE1 HIS 15 -4.435 7.856 -7.485
118 HE2 HIS 15 HE2 HIS 15 -5.984 5.944 -8.011
119 H VAL 16 H VAL 16 -5.806 2.950 -2.081
120 HA VAL 16 HA VAL 16 -8.213 2.989 -3.502
121 HB VAL 16 HB VAL 16 -7.677 1.556 -0.897
122 HG11 VAL 16 HG11 VAL 16 -9.345 -0.044 -1.708
123 HG12 VAL 16 HG12 VAL 16 -9.609 0.956 -3.136
124 HG13 VAL 16 HG13 VAL 16 -10.034 1.572 -1.539
125 HG21 VAL 16 HG21 VAL 16 -5.928 1.046 -2.495
126 HG22 VAL 16 HG22 VAL 16 -7.133 0.683 -3.730
127 HG23 VAL 16 HG23 VAL 16 -6.995 -0.344 -2.301
128 H GLY 17 H GLY 17 -7.919 3.285 0.044
129 HA2 GLY 17 HA3 GLY 17 -9.249 4.372 1.572
130 HA3 GLY 17 HA2 GLY 17 -9.441 5.611 0.343
131 H LYS 18 H LYS 18 -10.527 2.784 -0.962
132 HA LYS 18 HA LYS 18 -12.554 1.965 -1.526
133 HB2 LYS 18 HB3 LYS 18 -13.310 2.831 1.268
134 HB3 LYS 18 HB2 LYS 18 -14.304 1.819 0.226
135 HG2 LYS 18 HG3 LYS 18 -11.619 1.161 1.410
136 HG3 LYS 18 HG2 LYS 18 -13.170 0.389 1.746
137 HD2 LYS 18 HD3 LYS 18 -11.713 0.338 -0.898
138 HD3 LYS 18 HD2 LYS 18 -11.761 -0.979 0.273
139 HE2 LYS 18 HE3 LYS 18 -14.089 -1.306 -0.061
140 HE3 LYS 18 HE2 LYS 18 -14.235 0.199 -0.972
141 HZ1 LYS 18 HZ1 LYS 18 -12.949 -0.729 -2.741
142 HZ2 LYS 18 HZ2 LYS 18 -14.205 -1.808 -2.387
143 HZ3 LYS 18 HZ3 LYS 18 -12.629 -2.138 -1.852
144 H ALA 19 H ALA 19 -12.487 3.783 -3.039
145 HA ALA 19 HA ALA 19 -13.561 5.360 -4.260
146 HB1 ALA 19 HB1 ALA 19 -15.870 4.855 -2.385
147 HB2 ALA 19 HB2 ALA 19 -15.542 3.989 -3.887
148 HB3 ALA 19 HB3 ALA 19 -15.952 5.704 -3.929
149 H ALA 20 H ALA 20 -12.591 5.827 -1.221
150 HA ALA 20 HA ALA 20 -11.985 7.639 0.011
151 HB1 ALA 20 HB1 ALA 20 -12.965 9.283 -2.323
152 HB2 ALA 20 HB2 ALA 20 -11.318 8.680 -2.115
153 HB3 ALA 20 HB3 ALA 20 -11.978 9.858 -0.978
154 H LEU 21 H LEU 21 -14.668 6.412 -0.148
155 HA LEU 21 HA LEU 21 -16.659 8.382 0.160
156 HB2 LEU 21 HB3 LEU 21 -18.086 6.564 0.828
157 HB3 LEU 21 HB2 LEU 21 -17.055 6.052 -0.496
158 HG LEU 21 HG LEU 21 -15.573 4.993 1.350
159 HD11 LEU 21 HD11 LEU 21 -16.806 4.241 3.320
160 HD12 LEU 21 HD12 LEU 21 -18.194 5.213 2.826
161 HD13 LEU 21 HD13 LEU 21 -16.681 6.000 3.276
162 HD21 LEU 21 HD21 LEU 21 -16.911 2.946 1.254
163 HD22 LEU 21 HD22 LEU 21 -16.812 3.738 -0.319
164 HD23 LEU 21 HD23 LEU 21 -18.282 3.874 0.646
165 H THR 22 H THR 22 -14.184 7.360 2.187
166 HA THR 22 HA THR 22 -15.331 7.715 4.733
167 HB THR 22 HB THR 22 -12.507 8.492 4.436
168 HG1 THR 22 HG1 THR 22 -12.912 5.768 4.003
169 HG21 THR 22 HG21 THR 22 -13.906 6.305 5.987
170 HG22 THR 22 HG22 THR 22 -13.524 7.916 6.595
171 HG23 THR 22 HG23 THR 22 -12.224 6.798 6.184
172 H HIS 23 H HIS 23 -14.068 9.915 2.327
173 HA HIS 23 HA HIS 23 -15.046 12.145 3.984
174 HB2 HIS 23 HB3 HIS 23 -13.212 13.592 3.141
175 HB3 HIS 23 HB2 HIS 23 -12.631 12.276 4.147
176 HD1 HIS 23 HD1 HIS 23 -10.804 10.862 3.189
177 HD2 HIS 23 HD2 HIS 23 -12.721 13.144 0.281
178 HE1 HIS 23 HE1 HIS 23 -9.447 10.575 1.087
179 HE2 HIS 23 HE2 HIS 23 -10.668 11.891 -0.679
180 H TYR 24 H TYR 24 -16.564 10.847 2.127
181 HA TYR 24 HA TYR 24 -16.886 12.865 0.047
182 HB2 TYR 24 HB3 TYR 24 -15.395 11.174 -0.917
183 HB3 TYR 24 HB2 TYR 24 -16.550 9.913 -0.522
184 HD1 TYR 24 HD2 TYR 24 -17.072 13.251 -2.123
185 HD2 TYR 24 HD1 TYR 24 -17.235 9.023 -2.520
186 HE1 TYR 24 HE2 TYR 24 -18.095 13.504 -4.349
187 HE2 TYR 24 HE1 TYR 24 -18.243 9.259 -4.743
188 HH TYR 24 HH TYR 24 -18.297 12.177 -6.446
189 H LEU 25 H LEU 25 -18.176 9.587 0.614
190 HA LEU 25 HA LEU 25 -20.831 10.798 0.967
191 HB2 LEU 25 HB3 LEU 25 -20.140 8.217 -0.442
192 HB3 LEU 25 HB2 LEU 25 -21.770 8.747 -0.076
193 HG LEU 25 HG LEU 25 -19.834 10.182 -1.888
194 HD11 LEU 25 HD11 LEU 25 -20.599 8.032 -2.773
195 HD12 LEU 25 HD12 LEU 25 -21.233 9.396 -3.695
196 HD13 LEU 25 HD13 LEU 25 -22.271 8.544 -2.551
197 HD21 LEU 25 HD21 LEU 25 -22.746 10.697 -1.290
198 HD22 LEU 25 HD22 LEU 25 -21.791 11.519 -2.523
199 HD23 LEU 25 HD23 LEU 25 -21.385 11.715 -0.819
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 10.950 2.517 -12.337
2 H2 GLY 1 HT2 GLY 1 12.033 2.015 -11.136
3 H3 GLY 1 HT3 GLY 1 12.547 3.092 -12.339
4 HA2 GLY 1 HA2 GLY 1 12.221 4.368 -10.401
5 HA3 GLY 1 HA3 GLY 1 10.911 4.732 -11.510
6 H TRP 2 H TRP 2 9.811 1.918 -10.787
7 HA TRP 2 HA TRP 2 8.716 2.657 -8.158
8 HB2 TRP 2 HB3 TRP 2 7.177 1.568 -10.529
9 HB3 TRP 2 HB2 TRP 2 6.511 1.802 -8.914
10 HD1 TRP 2 HD1 TRP 2 6.403 4.429 -8.057
11 HE1 TRP 2 HE1 TRP 2 5.970 6.577 -9.414
12 HE3 TRP 2 HE3 TRP 2 7.478 2.652 -12.737
13 HZ2 TRP 2 HZ2 TRP 2 6.055 7.391 -12.120
14 HZ3 TRP 2 HZ3 TRP 2 7.278 4.182 -14.653
15 HH2 TRP 2 HH2 TRP 2 6.581 6.502 -14.347
16 H GLY 3 H GLY 3 8.156 0.952 -6.808
17 HA2 GLY 3 HA3 GLY 3 7.996 -1.306 -6.186
18 HA3 GLY 3 HA2 GLY 3 8.795 -1.773 -7.682
19 H SER 4 H SER 4 10.774 0.480 -7.016
20 HA SER 4 HA SER 4 12.677 -1.054 -5.553
21 HB2 SER 4 HB3 SER 4 12.714 1.910 -6.195
22 HB3 SER 4 HB2 SER 4 14.102 0.912 -5.764
23 HG SER 4 HG SER 4 13.422 -0.383 -7.701
24 H PHE 5 H PHE 5 10.003 0.732 -4.678
25 HA PHE 5 HA PHE 5 11.036 1.374 -2.005
26 HB2 PHE 5 HB3 PHE 5 8.385 2.122 -3.272
27 HB3 PHE 5 HB2 PHE 5 8.999 2.698 -1.727
28 HD1 PHE 5 HD1 PHE 5 11.054 4.136 -1.704
29 HD2 PHE 5 HD2 PHE 5 8.951 3.193 -5.276
30 HE1 PHE 5 HE1 PHE 5 12.128 6.043 -2.831
31 HE2 PHE 5 HE2 PHE 5 10.018 5.097 -6.416
32 HZ PHE 5 HZ PHE 5 11.607 6.522 -5.191
33 H PHE 6 H PHE 6 11.138 -0.798 -1.358
34 HA PHE 6 HA PHE 6 9.211 -2.745 -1.865
35 HB2 PHE 6 HB3 PHE 6 11.167 -2.674 0.439
36 HB3 PHE 6 HB2 PHE 6 10.409 -4.105 -0.254
37 HD1 PHE 6 HD1 PHE 6 10.939 -4.699 -2.653
38 HD2 PHE 6 HD2 PHE 6 13.164 -1.826 -0.428
39 HE1 PHE 6 HE1 PHE 6 12.803 -4.914 -4.242
40 HE2 PHE 6 HE2 PHE 6 15.030 -2.039 -2.018
41 HZ PHE 6 HZ PHE 6 14.850 -3.581 -3.926
42 H LYS 7 H LYS 7 9.578 -0.590 0.917
43 HA LYS 7 HA LYS 7 7.363 -1.888 2.277
44 HB2 LYS 7 HB3 LYS 7 9.262 -1.250 3.631
45 HB3 LYS 7 HB2 LYS 7 9.170 0.408 3.055
46 HG2 LYS 7 HG3 LYS 7 8.303 0.176 5.325
47 HG3 LYS 7 HG2 LYS 7 7.069 0.712 4.198
48 HD2 LYS 7 HD3 LYS 7 6.131 -0.936 5.681
49 HD3 LYS 7 HD2 LYS 7 6.230 -1.601 4.050
50 HE2 LYS 7 HE3 LYS 7 8.389 -2.644 4.709
51 HE3 LYS 7 HE2 LYS 7 8.067 -2.140 6.365
52 HZ1 LYS 7 HZ1 LYS 7 5.931 -3.395 6.193
53 HZ2 LYS 7 HZ2 LYS 7 7.321 -4.363 6.155
54 HZ3 LYS 7 HZ3 LYS 7 6.478 -4.032 4.719
55 H LYS 8 H LYS 8 7.811 0.632 0.064
56 HA LYS 8 HA LYS 8 5.410 2.050 0.977
57 HB2 LYS 8 HB3 LYS 8 7.403 2.897 -1.130
58 HB3 LYS 8 HB2 LYS 8 6.107 3.868 -0.479
59 HG2 LYS 8 HG3 LYS 8 8.305 2.784 1.247
60 HG3 LYS 8 HG2 LYS 8 8.437 4.329 0.400
61 HD2 LYS 8 HD3 LYS 8 6.289 3.563 2.374
62 HD3 LYS 8 HD2 LYS 8 7.645 4.652 2.688
63 HE2 LYS 8 HE3 LYS 8 5.703 5.106 0.455
64 HE3 LYS 8 HE2 LYS 8 5.405 5.719 2.090
65 HZ1 LYS 8 HZ1 LYS 8 7.469 6.972 1.957
66 HZ2 LYS 8 HZ2 LYS 8 6.448 7.381 0.665
67 HZ3 LYS 8 HZ3 LYS 8 7.773 6.364 0.401
68 H ALA 9 H ALA 9 6.113 -0.444 -0.953
69 HA ALA 9 HA ALA 9 4.776 0.195 -3.371
70 HB1 ALA 9 HB1 ALA 9 6.431 -1.603 -3.206
71 HB2 ALA 9 HB2 ALA 9 4.894 -2.185 -3.848
72 HB3 ALA 9 HB3 ALA 9 5.331 -2.513 -2.171
73 H ALA 10 H ALA 10 3.783 -1.633 -0.480
74 HA ALA 10 HA ALA 10 1.073 -1.874 -1.450
75 HB1 ALA 10 HB1 ALA 10 2.211 -2.505 1.273
76 HB2 ALA 10 HB2 ALA 10 2.075 -3.638 -0.074
77 HB3 ALA 10 HB3 ALA 10 0.619 -2.976 0.674
78 H HIS 11 H HIS 11 2.897 0.382 0.369
79 HA HIS 11 HA HIS 11 0.680 1.448 1.850
80 HB2 HIS 11 HB3 HIS 11 3.570 2.125 1.604
81 HB3 HIS 11 HB2 HIS 11 2.468 3.358 2.217
82 HD1 HIS 11 HD1 HIS 11 4.283 0.326 3.210
83 HD2 HIS 11 HD2 HIS 11 1.056 2.554 4.604
84 HE1 HIS 11 HE1 HIS 11 3.870 -0.466 5.562
85 HE2 HIS 11 HE2 HIS 11 1.885 0.862 6.374
86 H VAL 12 H VAL 12 2.017 1.988 -1.283
87 HA VAL 12 HA VAL 12 0.939 4.603 -1.666
88 HB VAL 12 HB VAL 12 2.705 3.426 -3.104
89 HG11 VAL 12 HG11 VAL 12 1.542 1.365 -3.557
90 HG12 VAL 12 HG12 VAL 12 1.864 2.212 -5.068
91 HG13 VAL 12 HG13 VAL 12 0.245 2.239 -4.369
92 HG21 VAL 12 HG21 VAL 12 1.992 4.618 -5.154
93 HG22 VAL 12 HG22 VAL 12 1.859 5.599 -3.697
94 HG23 VAL 12 HG23 VAL 12 0.415 4.884 -4.413
95 H GLY 13 H GLY 13 -0.324 1.457 -1.539
96 HA2 GLY 13 HA3 GLY 13 -2.645 1.801 -3.146
97 HA3 GLY 13 HA2 GLY 13 -2.377 0.526 -1.970
98 H LYS 14 H LYS 14 -1.872 3.198 -0.187
99 HA LYS 14 HA LYS 14 -4.357 3.106 1.126
100 HB2 LYS 14 HB3 LYS 14 -3.577 4.992 2.434
101 HB3 LYS 14 HB2 LYS 14 -2.275 3.835 2.209
102 HG2 LYS 14 HG3 LYS 14 -1.277 5.940 1.970
103 HG3 LYS 14 HG2 LYS 14 -1.456 5.329 0.327
104 HD2 LYS 14 HD3 LYS 14 -2.076 7.670 0.409
105 HD3 LYS 14 HD2 LYS 14 -3.502 6.678 0.072
106 HE2 LYS 14 HE3 LYS 14 -4.109 6.812 2.464
107 HE3 LYS 14 HE2 LYS 14 -2.731 7.880 2.735
108 HZ1 LYS 14 HZ1 LYS 14 -3.710 9.452 1.155
109 HZ2 LYS 14 HZ2 LYS 14 -4.744 9.155 2.464
110 HZ3 LYS 14 HZ3 LYS 14 -5.056 8.433 0.965
111 H HIS 15 H HIS 15 -3.344 4.690 -1.702
112 HA HIS 15 HA HIS 15 -4.912 6.987 -1.771
113 HB2 HIS 15 HB3 HIS 15 -3.944 5.147 -3.942
114 HB3 HIS 15 HB2 HIS 15 -4.934 6.552 -4.312
115 HD1 HIS 15 HD1 HIS 15 -1.706 5.832 -4.819
116 HD2 HIS 15 HD2 HIS 15 -3.444 8.762 -2.431
117 HE1 HIS 15 HE1 HIS 15 0.056 7.602 -4.520
118 HE2 HIS 15 HE2 HIS 15 -1.108 9.471 -3.297
119 H VAL 16 H VAL 16 -5.718 3.651 -2.482
120 HA VAL 16 HA VAL 16 -8.250 4.004 -3.588
121 HB VAL 16 HB VAL 16 -7.393 1.743 -1.782
122 HG11 VAL 16 HG11 VAL 16 -9.490 1.898 -3.942
123 HG12 VAL 16 HG12 VAL 16 -9.778 1.759 -2.206
124 HG13 VAL 16 HG13 VAL 16 -9.018 0.431 -3.084
125 HG21 VAL 16 HG21 VAL 16 -5.768 2.072 -3.569
126 HG22 VAL 16 HG22 VAL 16 -7.062 2.028 -4.765
127 HG23 VAL 16 HG23 VAL 16 -6.687 0.588 -3.819
128 H GLY 17 H GLY 17 -7.544 3.130 -0.197
129 HA2 GLY 17 HA3 GLY 17 -8.818 3.390 1.700
130 HA3 GLY 17 HA2 GLY 17 -9.178 4.979 1.044
131 H LYS 18 H LYS 18 -10.188 2.534 -1.021
132 HA LYS 18 HA LYS 18 -12.185 1.664 -1.630
133 HB2 LYS 18 HB3 LYS 18 -13.099 2.174 1.208
134 HB3 LYS 18 HB2 LYS 18 -13.872 1.121 0.036
135 HG2 LYS 18 HG3 LYS 18 -11.185 0.721 1.326
136 HG3 LYS 18 HG2 LYS 18 -12.659 -0.197 1.630
137 HD2 LYS 18 HD3 LYS 18 -12.625 -0.973 -0.711
138 HD3 LYS 18 HD2 LYS 18 -11.106 -0.110 -0.955
139 HE2 LYS 18 HE3 LYS 18 -11.617 -2.402 0.931
140 HE3 LYS 18 HE2 LYS 18 -10.630 -2.431 -0.530
141 HZ1 LYS 18 HZ1 LYS 18 -9.122 -0.849 0.512
142 HZ2 LYS 18 HZ2 LYS 18 -9.260 -2.251 1.453
143 HZ3 LYS 18 HZ3 LYS 18 -10.069 -0.838 1.916
144 H ALA 19 H ALA 19 -12.636 3.258 -3.053
145 HA ALA 19 HA ALA 19 -13.760 4.953 -4.041
146 HB1 ALA 19 HB1 ALA 19 -15.919 5.635 -3.164
147 HB2 ALA 19 HB2 ALA 19 -15.557 4.869 -1.618
148 HB3 ALA 19 HB3 ALA 19 -15.742 3.882 -3.067
149 H ALA 20 H ALA 20 -11.740 5.394 -1.664
150 HA ALA 20 HA ALA 20 -12.345 8.184 -1.080
151 HB1 ALA 20 HB1 ALA 20 -10.020 6.474 -0.230
152 HB2 ALA 20 HB2 ALA 20 -11.473 6.788 0.718
153 HB3 ALA 20 HB3 ALA 20 -10.362 8.107 0.340
154 H LEU 21 H LEU 21 -10.355 6.215 -3.110
155 HA LEU 21 HA LEU 21 -8.592 8.226 -4.048
156 HB2 LEU 21 HB3 LEU 21 -8.052 6.739 -5.823
157 HB3 LEU 21 HB2 LEU 21 -8.328 5.752 -4.403
158 HG LEU 21 HG LEU 21 -10.437 6.159 -6.525
159 HD11 LEU 21 HD11 LEU 21 -9.760 4.011 -7.448
160 HD12 LEU 21 HD12 LEU 21 -8.414 3.932 -6.312
161 HD13 LEU 21 HD13 LEU 21 -8.447 5.182 -7.555
162 HD21 LEU 21 HD21 LEU 21 -11.243 5.362 -4.360
163 HD22 LEU 21 HD22 LEU 21 -10.062 4.055 -4.392
164 HD23 LEU 21 HD23 LEU 21 -11.363 4.095 -5.580
165 H THR 22 H THR 22 -11.901 7.755 -4.407
166 HA THR 22 HA THR 22 -12.162 9.129 -6.940
167 HB THR 22 HB THR 22 -14.445 8.673 -5.046
168 HG1 THR 22 HG1 THR 22 -14.161 6.523 -6.616
169 HG21 THR 22 HG21 THR 22 -14.858 9.791 -7.189
170 HG22 THR 22 HG22 THR 22 -15.655 8.219 -7.126
171 HG23 THR 22 HG23 THR 22 -14.161 8.415 -8.044
172 H HIS 23 H HIS 23 -11.538 10.008 -3.800
173 HA HIS 23 HA HIS 23 -13.098 12.475 -3.869
174 HB2 HIS 23 HB3 HIS 23 -11.534 11.094 -1.699
175 HB3 HIS 23 HB2 HIS 23 -12.108 12.747 -1.520
176 HD1 HIS 23 HD1 HIS 23 -13.350 9.206 -1.751
177 HD2 HIS 23 HD2 HIS 23 -14.819 13.019 -1.018
178 HE1 HIS 23 HE1 HIS 23 -15.656 8.868 -0.839
179 HE2 HIS 23 HE2 HIS 23 -16.602 11.192 -0.602
180 H TYR 24 H TYR 24 -9.779 11.810 -2.713
181 HA TYR 24 HA TYR 24 -9.115 14.533 -3.417
182 HB2 TYR 24 HB3 TYR 24 -6.919 13.968 -2.273
183 HB3 TYR 24 HB2 TYR 24 -8.365 13.981 -1.279
184 HD1 TYR 24 HD1 TYR 24 -6.665 11.379 -3.413
185 HD2 TYR 24 HD2 TYR 24 -8.269 12.421 0.391
186 HE1 TYR 24 HE1 TYR 24 -6.059 9.157 -2.551
187 HE2 TYR 24 HE2 TYR 24 -7.682 10.200 1.256
188 HH TYR 24 HH TYR 24 -7.262 7.890 0.309
189 H LEU 25 H LEU 25 -8.999 11.718 -5.117
190 HA LEU 25 HA LEU 25 -6.599 12.564 -6.587
191 HB2 LEU 25 HB3 LEU 25 -7.977 9.882 -6.500
192 HB3 LEU 25 HB2 LEU 25 -6.678 10.277 -7.607
193 HG LEU 25 HG LEU 25 -6.470 10.246 -4.599
194 HD11 LEU 25 HD11 LEU 25 -6.767 8.032 -5.642
195 HD12 LEU 25 HD12 LEU 25 -5.185 8.235 -4.888
196 HD13 LEU 25 HD13 LEU 25 -5.348 8.343 -6.641
197 HD21 LEU 25 HD21 LEU 25 -4.077 10.502 -4.977
198 HD22 LEU 25 HD22 LEU 25 -4.966 11.874 -5.636
199 HD23 LEU 25 HD23 LEU 25 -4.352 10.620 -6.714