Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
601209 | 2n9c RC | 25900 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 1.808 -0.000 0.855
2 HA MET 1 HA MET 1 1.405 -0.185 -2.054
3 HB2 MET 1 2HB MET 1 2.024 2.135 -1.319
4 HB3 MET 1 3HB MET 1 3.543 1.482 -0.721
5 HG2 MET 1 2HG MET 1 3.739 0.564 -3.172
6 HG3 MET 1 3HG MET 1 2.613 1.875 -3.515
7 HE1 MET 1 3HE MET 1 4.504 5.035 -3.209
8 HE2 MET 1 1HE MET 1 2.985 4.175 -3.458
9 HE3 MET 1 2HE MET 1 3.563 4.485 -1.822
10 H THR 2 H THR 2 1.756 -2.472 -0.802
11 HA THR 2 HA THR 2 4.618 -3.109 -1.111
12 HB THR 2 HB THR 2 3.746 -3.408 1.211
13 HG1 THR 2 HG1 THR 2 4.880 -5.267 1.451
14 HG21 THR 2 3HG2 THR 2 1.458 -4.114 0.561
15 HG22 THR 2 1HG2 THR 2 2.222 -5.220 1.702
16 HG23 THR 2 2HG2 THR 2 2.123 -5.645 -0.007
17 H GLU 3 H GLU 3 1.350 -3.906 -1.975
18 HA GLU 3 HA GLU 3 2.299 -5.562 -4.143
19 HB2 GLU 3 2HB GLU 3 2.185 -7.300 -2.540
20 HB3 GLU 3 3HB GLU 3 0.679 -6.691 -1.870
21 HG2 GLU 3 2HG GLU 3 -0.522 -7.347 -3.851
22 HG3 GLU 3 3HG GLU 3 0.978 -7.844 -4.633
23 H TYR 4 H TYR 4 -0.768 -5.101 -2.378
24 HA TYR 4 HA TYR 4 -1.989 -4.259 -4.921
25 HB2 TYR 4 2HB TYR 4 -4.162 -4.849 -3.615
26 HB3 TYR 4 3HB TYR 4 -3.177 -6.152 -4.272
27 HD1 TYR 4 HD2 TYR 4 -3.539 -4.157 -1.132
28 HD2 TYR 4 HD1 TYR 4 -2.662 -7.930 -2.892
29 HE1 TYR 4 HE2 TYR 4 -3.378 -5.159 1.109
30 HE2 TYR 4 HE1 TYR 4 -2.501 -8.942 -0.656
31 HH TYR 4 HH TYR 4 -2.896 -6.985 2.279
32 H LYS 5 H LYS 5 -1.258 -3.332 -1.691
33 HA LYS 5 HA LYS 5 -3.175 -1.322 -1.278
34 HB2 LYS 5 2HB LYS 5 -0.416 -1.816 -0.203
35 HB3 LYS 5 3HB LYS 5 -1.278 -0.340 0.211
36 HG2 LYS 5 2HG LYS 5 -2.775 -1.416 1.531
37 HG3 LYS 5 3HG LYS 5 -2.728 -2.896 0.570
38 HD2 LYS 5 2HD LYS 5 -1.702 -3.436 2.625
39 HD3 LYS 5 3HD LYS 5 -0.380 -3.235 1.473
40 HE2 LYS 5 2HE LYS 5 0.433 -2.004 3.217
41 HE3 LYS 5 3HE LYS 5 -0.454 -0.749 2.354
42 HZ1 LYS 5 3HZ LYS 5 -1.676 -0.425 4.153
43 HZ2 LYS 5 1HZ LYS 5 -0.820 -1.626 4.982
44 HZ3 LYS 5 2HZ LYS 5 -2.216 -2.028 4.115
45 H LEU 6 H LEU 6 -0.521 -1.472 -3.413
46 HA LEU 6 HA LEU 6 -0.109 1.374 -3.613
47 HB2 LEU 6 2HB LEU 6 1.371 0.802 -5.481
48 HB3 LEU 6 3HB LEU 6 1.744 -0.114 -4.022
49 HG LEU 6 HG LEU 6 0.046 -1.795 -5.396
50 HD11 LEU 6 1HD1 LEU 6 0.341 -0.146 -7.325
51 HD12 LEU 6 2HD1 LEU 6 0.636 -1.852 -7.657
52 HD13 LEU 6 3HD1 LEU 6 1.995 -0.752 -7.425
53 HD21 LEU 6 3HD2 LEU 6 2.114 -3.069 -5.876
54 HD22 LEU 6 1HD2 LEU 6 2.025 -2.491 -4.212
55 HD23 LEU 6 2HD2 LEU 6 3.059 -1.665 -5.377
56 H VAL 7 H VAL 7 -2.310 -0.877 -4.890
57 HA VAL 7 HA VAL 7 -3.050 0.979 -7.057
58 HB VAL 7 HB VAL 7 -3.652 -1.973 -6.819
59 HG11 VAL 7 1HG1 VAL 7 -4.780 0.148 -8.477
60 HG12 VAL 7 2HG1 VAL 7 -4.177 -1.226 -9.404
61 HG13 VAL 7 3HG1 VAL 7 -5.386 -1.474 -8.143
62 HG21 VAL 7 3HG2 VAL 7 -1.505 -2.066 -7.532
63 HG22 VAL 7 1HG2 VAL 7 -2.251 -1.730 -9.094
64 HG23 VAL 7 2HG2 VAL 7 -1.527 -0.419 -8.162
65 H VAL 8 H VAL 8 -4.539 -1.377 -4.827
66 HA VAL 8 HA VAL 8 -7.154 -0.366 -5.055
67 HB VAL 8 HB VAL 8 -5.919 -1.885 -2.753
68 HG11 VAL 8 1HG1 VAL 8 -8.630 -2.489 -2.946
69 HG12 VAL 8 2HG1 VAL 8 -7.845 -1.511 -1.704
70 HG13 VAL 8 3HG1 VAL 8 -8.541 -0.737 -3.128
71 HG21 VAL 8 3HG2 VAL 8 -6.100 -3.757 -3.955
72 HG22 VAL 8 1HG2 VAL 8 -7.717 -3.331 -4.517
73 HG23 VAL 8 2HG2 VAL 8 -6.297 -2.714 -5.363
74 H VAL 9 H VAL 9 -4.778 0.065 -2.427
75 HA VAL 9 HA VAL 9 -6.365 2.184 -1.255
76 HB VAL 9 HB VAL 9 -3.596 1.302 -0.443
77 HG11 VAL 9 1HG1 VAL 9 -4.343 3.461 0.451
78 HG12 VAL 9 2HG1 VAL 9 -5.786 2.684 1.104
79 HG13 VAL 9 3HG1 VAL 9 -4.192 2.244 1.718
80 HG21 VAL 9 3HG2 VAL 9 -5.101 -0.624 -0.461
81 HG22 VAL 9 1HG2 VAL 9 -4.680 -0.160 1.188
82 HG23 VAL 9 2HG2 VAL 9 -6.259 0.266 0.528
83 H GLY 10 H GLY 10 -3.647 1.866 -3.381
84 HA2 GLY 10 2HA GLY 10 -2.493 4.423 -2.987
85 HA3 GLY 10 3HA GLY 10 -2.290 3.410 -4.408
86 H ALA 11 H ALA 11 -5.359 3.427 -4.594
87 HA ALA 11 HA ALA 11 -5.479 5.849 -6.219
88 HB1 ALA 11 1HB ALA 11 -6.317 4.218 -7.549
89 HB2 ALA 11 2HB ALA 11 -6.910 3.260 -6.192
90 HB3 ALA 11 3HB ALA 11 -7.817 4.670 -6.739
91 H GLY 12 H GLY 12 -6.946 4.400 -3.382
92 HA2 GLY 12 2HA GLY 12 -7.694 6.726 -2.139
93 HA3 GLY 12 3HA GLY 12 -9.063 6.320 -3.164
94 H GLY 13 H GLY 13 -8.461 3.401 -2.817
95 HA2 GLY 13 2HA GLY 13 -8.475 1.886 -0.903
96 HA3 GLY 13 3HA GLY 13 -9.360 3.119 -0.018
97 H VAL 14 H VAL 14 -9.582 0.864 -2.732
98 HA VAL 14 HA VAL 14 -12.383 1.175 -3.109
99 HB VAL 14 HB VAL 14 -10.601 -1.133 -3.900
100 HG11 VAL 14 1HG1 VAL 14 -13.464 -0.606 -4.233
101 HG12 VAL 14 2HG1 VAL 14 -12.622 -1.037 -5.723
102 HG13 VAL 14 3HG1 VAL 14 -12.568 -2.122 -4.333
103 HG21 VAL 14 3HG2 VAL 14 -10.725 -0.004 -6.157
104 HG22 VAL 14 1HG2 VAL 14 -11.383 1.402 -5.320
105 HG23 VAL 14 2HG2 VAL 14 -9.761 0.826 -4.936
106 H GLY 15 H GLY 15 -10.392 -1.033 -1.212
107 HA2 GLY 15 2HA GLY 15 -11.328 -1.823 0.901
108 HA3 GLY 15 3HA GLY 15 -12.867 -2.003 0.074
109 H LYS 16 H LYS 16 -9.984 -2.950 -1.576
110 HA LYS 16 HA LYS 16 -10.899 -5.702 -1.602
111 HB2 LYS 16 2HB LYS 16 -8.491 -4.483 -2.963
112 HB3 LYS 16 3HB LYS 16 -9.202 -6.056 -3.302
113 HG2 LYS 16 2HG LYS 16 -10.471 -3.370 -3.792
114 HG3 LYS 16 3HG LYS 16 -9.839 -4.482 -5.009
115 HD2 LYS 16 2HD LYS 16 -12.142 -5.040 -3.139
116 HD3 LYS 16 3HD LYS 16 -12.282 -4.607 -4.845
117 HE2 LYS 16 2HE LYS 16 -11.021 -6.632 -5.441
118 HE3 LYS 16 3HE LYS 16 -10.929 -7.066 -3.735
119 HZ1 LYS 16 3HZ LYS 16 -12.719 -8.224 -4.927
120 HZ2 LYS 16 1HZ LYS 16 -13.458 -6.738 -5.256
121 HZ3 LYS 16 2HZ LYS 16 -13.306 -7.271 -3.658
122 H SER 17 H SER 17 -7.960 -3.934 -0.665
123 HA SER 17 HA SER 17 -6.414 -6.045 0.213
124 HB2 SER 17 2HB SER 17 -5.270 -4.032 0.221
125 HB3 SER 17 3HB SER 17 -6.597 -3.161 0.989
126 HG SER 17 HG SER 17 -5.231 -3.389 2.628
127 H HIS 18 H HIS 18 -9.164 -4.545 1.741
128 HA HIS 18 HA HIS 18 -8.875 -5.325 4.373
129 HB2 HIS 18 2HB HIS 18 -11.336 -5.086 2.646
130 HB3 HIS 18 3HB HIS 18 -11.427 -5.458 4.365
131 HD1 HIS 18 HD1 HIS 18 -9.100 -2.927 2.783
132 HD2 HIS 18 HD2 HIS 18 -12.420 -3.077 5.277
133 HE1 HIS 18 HE1 HIS 18 -9.423 -0.576 3.615
134 H VAL 19 H VAL 19 -9.680 -7.251 1.580
135 HA VAL 19 HA VAL 19 -10.636 -9.525 3.011
136 HB VAL 19 HB VAL 19 -9.528 -9.359 0.205
137 HG11 VAL 19 1HG1 VAL 19 -10.786 -11.548 1.779
138 HG12 VAL 19 2HG1 VAL 19 -11.155 -11.428 0.058
139 HG13 VAL 19 3HG1 VAL 19 -9.484 -11.614 0.591
140 HG21 VAL 19 3HG2 VAL 19 -11.376 -7.995 0.101
141 HG22 VAL 19 1HG2 VAL 19 -12.104 -9.565 -0.238
142 HG23 VAL 19 2HG2 VAL 19 -12.227 -8.867 1.377
143 H TRP 20 H TRP 20 -7.497 -8.508 1.783
144 HA TRP 20 HA TRP 20 -6.282 -10.971 2.810
145 HB2 TRP 20 2HB TRP 20 -5.232 -8.808 0.981
146 HB3 TRP 20 3HB TRP 20 -4.228 -10.109 1.614
147 HD1 TRP 20 HD1 TRP 20 -6.937 -9.399 -0.958
148 HE1 TRP 20 HE1 TRP 20 -7.202 -11.455 -2.483
149 HE3 TRP 20 HE3 TRP 20 -3.989 -12.697 1.606
150 HZ2 TRP 20 HZ2 TRP 20 -6.284 -14.123 -2.586
151 HZ3 TRP 20 HZ3 TRP 20 -3.736 -14.981 0.727
152 HH2 TRP 20 HH2 TRP 20 -4.861 -15.678 -1.325
Start of MODEL 2
1 H1 MET 1 H MET 1 1.827 0.354 0.853
2 HA MET 1 HA MET 1 1.350 -0.012 -2.031
3 HB2 MET 1 2HB MET 1 1.878 2.349 -1.374
4 HB3 MET 1 3HB MET 1 3.441 1.787 -0.798
5 HG2 MET 1 2HG MET 1 3.596 0.809 -3.242
6 HG3 MET 1 3HG MET 1 2.434 2.092 -3.571
7 HE1 MET 1 3HE MET 1 5.891 1.347 -4.116
8 HE2 MET 1 1HE MET 1 6.886 2.465 -3.183
9 HE3 MET 1 2HE MET 1 6.009 1.173 -2.364
10 H THR 2 H THR 2 1.847 -2.255 -0.764
11 HA THR 2 HA THR 2 4.727 -2.761 -1.142
12 HB THR 2 HB THR 2 3.936 -3.060 1.208
13 HG1 THR 2 HG1 THR 2 5.411 -4.573 1.321
14 HG21 THR 2 3HG2 THR 2 1.667 -3.882 0.643
15 HG22 THR 2 1HG2 THR 2 2.516 -4.937 1.771
16 HG23 THR 2 2HG2 THR 2 2.385 -5.388 0.071
17 H GLU 3 H GLU 3 1.473 -3.750 -1.874
18 HA GLU 3 HA GLU 3 2.442 -5.393 -4.048
19 HB2 GLU 3 2HB GLU 3 2.450 -7.102 -2.411
20 HB3 GLU 3 3HB GLU 3 0.936 -6.547 -1.710
21 HG2 GLU 3 2HG GLU 3 -0.297 -7.312 -3.617
22 HG3 GLU 3 3HG GLU 3 1.192 -7.716 -4.469
23 H TYR 4 H TYR 4 -0.593 -5.027 -2.207
24 HA TYR 4 HA TYR 4 -1.920 -4.297 -4.732
25 HB2 TYR 4 2HB TYR 4 -4.028 -4.953 -3.353
26 HB3 TYR 4 3HB TYR 4 -3.005 -6.225 -4.011
27 HD1 TYR 4 HD2 TYR 4 -3.367 -4.178 -0.904
28 HD2 TYR 4 HD1 TYR 4 -2.376 -7.948 -2.608
29 HE1 TYR 4 HE2 TYR 4 -3.101 -5.121 1.352
30 HE2 TYR 4 HE1 TYR 4 -2.109 -8.903 -0.357
31 HH TYR 4 HH TYR 4 -2.018 -6.954 2.466
32 H LYS 5 H LYS 5 -1.141 -3.266 -1.545
33 HA LYS 5 HA LYS 5 -3.135 -1.332 -1.125
34 HB2 LYS 5 2HB LYS 5 -0.311 -1.618 -0.124
35 HB3 LYS 5 3HB LYS 5 -1.312 -0.247 0.335
36 HG2 LYS 5 2HG LYS 5 -2.651 -1.493 1.675
37 HG3 LYS 5 3HG LYS 5 -2.472 -2.948 0.691
38 HD2 LYS 5 2HD LYS 5 -1.244 -3.562 2.520
39 HD3 LYS 5 3HD LYS 5 0.022 -2.796 1.556
40 HE2 LYS 5 2HE LYS 5 -1.566 -1.141 3.465
41 HE3 LYS 5 3HE LYS 5 -0.292 -2.188 4.088
42 HZ1 LYS 5 3HZ LYS 5 -0.081 0.194 2.403
43 HZ2 LYS 5 1HZ LYS 5 1.060 -1.034 2.176
44 HZ3 LYS 5 2HZ LYS 5 0.893 -0.305 3.693
45 H LEU 6 H LEU 6 -0.538 -1.419 -3.327
46 HA LEU 6 HA LEU 6 -0.252 1.439 -3.594
47 HB2 LEU 6 2HB LEU 6 1.225 0.900 -5.464
48 HB3 LEU 6 3HB LEU 6 1.653 0.008 -4.006
49 HG LEU 6 HG LEU 6 0.015 -1.758 -5.321
50 HD11 LEU 6 1HD1 LEU 6 0.144 -0.108 -7.267
51 HD12 LEU 6 2HD1 LEU 6 0.514 -1.799 -7.604
52 HD13 LEU 6 3HD1 LEU 6 1.821 -0.628 -7.433
53 HD21 LEU 6 3HD2 LEU 6 2.947 -1.400 -5.001
54 HD22 LEU 6 1HD2 LEU 6 2.379 -2.651 -6.107
55 HD23 LEU 6 2HD2 LEU 6 1.890 -2.684 -4.413
56 H VAL 7 H VAL 7 -2.388 -0.925 -4.757
57 HA VAL 7 HA VAL 7 -3.250 0.840 -6.954
58 HB VAL 7 HB VAL 7 -3.717 -2.129 -6.640
59 HG11 VAL 7 1HG1 VAL 7 -4.487 -1.807 -9.084
60 HG12 VAL 7 2HG1 VAL 7 -5.594 -1.371 -7.781
61 HG13 VAL 7 3HG1 VAL 7 -4.692 -0.116 -8.631
62 HG21 VAL 7 3HG2 VAL 7 -1.683 -0.519 -8.052
63 HG22 VAL 7 1HG2 VAL 7 -1.583 -2.151 -7.391
64 HG23 VAL 7 2HG2 VAL 7 -2.367 -1.876 -8.947
65 H VAL 8 H VAL 8 -4.582 -1.528 -4.639
66 HA VAL 8 HA VAL 8 -7.244 -0.620 -4.832
67 HB VAL 8 HB VAL 8 -5.917 -2.076 -2.540
68 HG11 VAL 8 1HG1 VAL 8 -8.584 -2.813 -2.674
69 HG12 VAL 8 2HG1 VAL 8 -7.849 -1.739 -1.482
70 HG13 VAL 8 3HG1 VAL 8 -8.606 -1.068 -2.928
71 HG21 VAL 8 3HG2 VAL 8 -7.503 -3.187 -4.853
72 HG22 VAL 8 1HG2 VAL 8 -5.744 -3.221 -4.730
73 HG23 VAL 8 2HG2 VAL 8 -6.728 -4.106 -3.563
74 H VAL 9 H VAL 9 -4.861 -0.122 -2.220
75 HA VAL 9 HA VAL 9 -6.487 1.934 -1.014
76 HB VAL 9 HB VAL 9 -3.644 1.204 -0.316
77 HG11 VAL 9 1HG1 VAL 9 -5.609 3.056 0.749
78 HG12 VAL 9 2HG1 VAL 9 -5.018 1.927 1.970
79 HG13 VAL 9 3HG1 VAL 9 -3.880 2.933 1.073
80 HG21 VAL 9 3HG2 VAL 9 -4.561 -0.325 1.339
81 HG22 VAL 9 1HG2 VAL 9 -6.197 0.040 0.792
82 HG23 VAL 9 2HG2 VAL 9 -5.073 -0.793 -0.282
83 H GLY 10 H GLY 10 -3.838 1.761 -3.243
84 HA2 GLY 10 2HA GLY 10 -2.795 4.366 -2.899
85 HA3 GLY 10 3HA GLY 10 -2.626 3.374 -4.340
86 H ALA 11 H ALA 11 -5.704 3.260 -4.341
87 HA ALA 11 HA ALA 11 -6.022 5.704 -5.914
88 HB1 ALA 11 1HB ALA 11 -7.291 3.034 -5.908
89 HB2 ALA 11 2HB ALA 11 -8.311 4.398 -6.366
90 HB3 ALA 11 3HB ALA 11 -6.826 4.069 -7.258
91 H GLY 12 H GLY 12 -7.650 3.922 -3.302
92 HA2 GLY 12 2HA GLY 12 -8.283 5.999 -1.668
93 HA3 GLY 12 3HA GLY 12 -9.565 6.032 -2.869
94 H GLY 13 H GLY 13 -7.954 3.160 -1.589
95 HA2 GLY 13 2HA GLY 13 -8.785 1.337 -0.471
96 HA3 GLY 13 3HA GLY 13 -9.809 2.480 0.386
97 H VAL 14 H VAL 14 -9.572 0.753 -2.714
98 HA VAL 14 HA VAL 14 -12.232 1.097 -3.510
99 HB VAL 14 HB VAL 14 -10.508 -1.304 -4.126
100 HG11 VAL 14 1HG1 VAL 14 -12.549 -0.040 -5.921
101 HG12 VAL 14 2HG1 VAL 14 -11.869 -1.667 -5.983
102 HG13 VAL 14 3HG1 VAL 14 -13.013 -1.236 -4.712
103 HG21 VAL 14 3HG2 VAL 14 -10.354 0.460 -6.261
104 HG22 VAL 14 1HG2 VAL 14 -10.174 1.483 -4.835
105 HG23 VAL 14 2HG2 VAL 14 -9.085 0.119 -5.084
106 H GLY 15 H GLY 15 -10.742 -1.245 -1.358
107 HA2 GLY 15 2HA GLY 15 -12.146 -2.131 0.433
108 HA3 GLY 15 3HA GLY 15 -13.444 -2.267 -0.743
109 H LYS 16 H LYS 16 -10.243 -3.143 -1.703
110 HA LYS 16 HA LYS 16 -11.082 -5.957 -1.777
111 HB2 LYS 16 2HB LYS 16 -8.765 -4.717 -3.260
112 HB3 LYS 16 3HB LYS 16 -9.523 -6.275 -3.560
113 HG2 LYS 16 2HG LYS 16 -10.867 -3.608 -3.944
114 HG3 LYS 16 3HG LYS 16 -10.122 -4.564 -5.227
115 HD2 LYS 16 2HD LYS 16 -11.958 -5.805 -5.430
116 HD3 LYS 16 3HD LYS 16 -11.929 -6.200 -3.710
117 HE2 LYS 16 2HE LYS 16 -13.011 -3.972 -3.287
118 HE3 LYS 16 3HE LYS 16 -13.214 -3.817 -5.032
119 HZ1 LYS 16 3HZ LYS 16 -15.219 -4.694 -4.240
120 HZ2 LYS 16 1HZ LYS 16 -14.450 -5.803 -3.220
121 HZ3 LYS 16 2HZ LYS 16 -14.408 -6.026 -4.896
122 H SER 17 H SER 17 -8.305 -3.894 -0.976
123 HA SER 17 HA SER 17 -6.546 -5.832 -0.077
124 HB2 SER 17 2HB SER 17 -5.657 -3.670 -0.244
125 HB3 SER 17 3HB SER 17 -6.967 -2.956 0.695
126 HG SER 17 HG SER 17 -4.761 -3.374 1.702
127 H HIS 18 H HIS 18 -9.398 -4.554 1.442
128 HA HIS 18 HA HIS 18 -8.947 -5.202 4.106
129 HB2 HIS 18 2HB HIS 18 -11.496 -5.208 2.486
130 HB3 HIS 18 3HB HIS 18 -11.465 -5.449 4.231
131 HD1 HIS 18 HD1 HIS 18 -10.752 -2.831 1.616
132 HD2 HIS 18 HD2 HIS 18 -11.208 -3.151 5.733
133 HE1 HIS 18 HE1 HIS 18 -10.839 -0.467 2.469
134 H VAL 19 H VAL 19 -9.635 -7.253 1.391
135 HA VAL 19 HA VAL 19 -10.547 -9.534 2.782
136 HB VAL 19 HB VAL 19 -9.059 -9.431 0.154
137 HG11 VAL 19 1HG1 VAL 19 -10.541 -11.552 -0.168
138 HG12 VAL 19 2HG1 VAL 19 -9.024 -11.666 0.726
139 HG13 VAL 19 3HG1 VAL 19 -10.556 -11.577 1.595
140 HG21 VAL 19 3HG2 VAL 19 -11.191 -9.312 -0.923
141 HG22 VAL 19 1HG2 VAL 19 -12.036 -9.483 0.615
142 HG23 VAL 19 2HG2 VAL 19 -11.119 -8.017 0.272
143 H TRP 20 H TRP 20 -7.309 -8.589 1.662
144 HA TRP 20 HA TRP 20 -6.136 -10.854 3.079
145 HB2 TRP 20 2HB TRP 20 -4.778 -8.745 1.388
146 HB3 TRP 20 3HB TRP 20 -4.055 -10.239 1.979
147 HD1 TRP 20 HD1 TRP 20 -6.571 -8.959 -0.621
148 HE1 TRP 20 HE1 TRP 20 -6.911 -10.790 -2.397
149 HE3 TRP 20 HE3 TRP 20 -3.915 -12.731 1.583
150 HZ2 TRP 20 HZ2 TRP 20 -6.154 -13.478 -2.809
151 HZ3 TRP 20 HZ3 TRP 20 -3.772 -14.901 0.432
152 HH2 TRP 20 HH2 TRP 20 -4.869 -15.265 -1.718
Start of MODEL 3
1 H1 MET 1 H MET 1 1.833 0.018 0.918
2 HA MET 1 HA MET 1 1.381 -0.204 -1.985
3 HB2 MET 1 2HB MET 1 1.968 2.110 -1.230
4 HB3 MET 1 3HB MET 1 3.504 1.480 -0.649
5 HG2 MET 1 2HG MET 1 3.673 0.593 -3.128
6 HG3 MET 1 3HG MET 1 2.559 1.926 -3.424
7 HE1 MET 1 3HE MET 1 3.897 4.891 -2.292
8 HE2 MET 1 1HE MET 1 4.367 4.715 -3.983
9 HE3 MET 1 2HE MET 1 2.845 4.028 -3.415
10 H THR 2 H THR 2 1.789 -2.517 -0.841
11 HA THR 2 HA THR 2 4.660 -3.092 -1.193
12 HB THR 2 HB THR 2 3.822 -3.473 1.131
13 HG1 THR 2 HG1 THR 2 4.867 -5.461 1.292
14 HG21 THR 2 3HG2 THR 2 2.201 -5.662 -0.175
15 HG22 THR 2 1HG2 THR 2 1.546 -4.197 0.554
16 HG23 THR 2 2HG2 THR 2 2.369 -5.389 1.559
17 H GLU 3 H GLU 3 1.381 -3.986 -1.974
18 HA GLU 3 HA GLU 3 2.333 -5.544 -4.222
19 HB2 GLU 3 2HB GLU 3 2.271 -7.323 -2.663
20 HB3 GLU 3 3HB GLU 3 0.765 -6.754 -1.955
21 HG2 GLU 3 2HG GLU 3 -0.477 -7.420 -3.877
22 HG3 GLU 3 3HG GLU 3 0.999 -7.779 -4.771
23 H TYR 4 H TYR 4 -0.714 -5.172 -2.403
24 HA TYR 4 HA TYR 4 -1.988 -4.298 -4.910
25 HB2 TYR 4 2HB TYR 4 -4.130 -4.942 -3.580
26 HB3 TYR 4 3HB TYR 4 -3.139 -6.219 -4.276
27 HD1 TYR 4 HD2 TYR 4 -3.476 -4.285 -1.095
28 HD2 TYR 4 HD1 TYR 4 -2.578 -8.014 -2.936
29 HE1 TYR 4 HE2 TYR 4 -3.266 -5.323 1.124
30 HE2 TYR 4 HE1 TYR 4 -2.366 -9.063 -0.722
31 HH TYR 4 HH TYR 4 -3.131 -7.295 2.229
32 H LYS 5 H LYS 5 -1.217 -3.419 -1.675
33 HA LYS 5 HA LYS 5 -3.154 -1.445 -1.193
34 HB2 LYS 5 2HB LYS 5 -0.362 -1.896 -0.181
35 HB3 LYS 5 3HB LYS 5 -1.265 -0.462 0.290
36 HG2 LYS 5 2HG LYS 5 -2.675 -1.618 1.626
37 HG3 LYS 5 3HG LYS 5 -2.647 -3.054 0.600
38 HD2 LYS 5 2HD LYS 5 -0.795 -3.915 1.621
39 HD3 LYS 5 3HD LYS 5 -0.144 -2.324 2.024
40 HE2 LYS 5 2HE LYS 5 -2.615 -3.411 3.341
41 HE3 LYS 5 3HE LYS 5 -1.001 -3.783 3.944
42 HZ1 LYS 5 3HZ LYS 5 -1.044 -1.867 5.024
43 HZ2 LYS 5 1HZ LYS 5 -2.540 -1.458 4.348
44 HZ3 LYS 5 2HZ LYS 5 -1.109 -1.037 3.551
45 H LEU 6 H LEU 6 -0.533 -1.516 -3.374
46 HA LEU 6 HA LEU 6 -0.194 1.346 -3.536
47 HB2 LEU 6 2HB LEU 6 1.313 0.843 -5.395
48 HB3 LEU 6 3HB LEU 6 1.701 -0.095 -3.954
49 HG LEU 6 HG LEU 6 0.064 -1.798 -5.358
50 HD11 LEU 6 1HD1 LEU 6 0.130 -0.252 -7.286
51 HD12 LEU 6 2HD1 LEU 6 0.837 -1.828 -7.638
52 HD13 LEU 6 3HD1 LEU 6 1.883 -0.440 -7.342
53 HD21 LEU 6 3HD2 LEU 6 2.284 -2.155 -4.168
54 HD22 LEU 6 1HD2 LEU 6 3.049 -1.713 -5.695
55 HD23 LEU 6 2HD2 LEU 6 1.990 -3.121 -5.615
56 H VAL 7 H VAL 7 -2.356 -0.932 -4.796
57 HA VAL 7 HA VAL 7 -3.127 0.893 -6.979
58 HB VAL 7 HB VAL 7 -3.778 -2.046 -6.727
59 HG11 VAL 7 1HG1 VAL 7 -4.905 0.030 -8.308
60 HG12 VAL 7 2HG1 VAL 7 -4.018 -1.061 -9.374
61 HG13 VAL 7 3HG1 VAL 7 -5.283 -1.692 -8.319
62 HG21 VAL 7 3HG2 VAL 7 -1.666 -0.601 -8.311
63 HG22 VAL 7 1HG2 VAL 7 -1.452 -1.902 -7.139
64 HG23 VAL 7 2HG2 VAL 7 -2.206 -2.235 -8.698
65 H VAL 8 H VAL 8 -4.573 -1.458 -4.716
66 HA VAL 8 HA VAL 8 -7.199 -0.449 -4.942
67 HB VAL 8 HB VAL 8 -5.970 -2.013 -2.667
68 HG11 VAL 8 1HG1 VAL 8 -7.904 -1.651 -1.626
69 HG12 VAL 8 2HG1 VAL 8 -8.599 -0.871 -3.048
70 HG13 VAL 8 3HG1 VAL 8 -8.673 -2.626 -2.878
71 HG21 VAL 8 3HG2 VAL 8 -7.753 -3.424 -4.479
72 HG22 VAL 8 1HG2 VAL 8 -6.317 -2.797 -5.288
73 HG23 VAL 8 2HG2 VAL 8 -6.148 -3.868 -3.897
74 H VAL 9 H VAL 9 -4.860 -0.117 -2.265
75 HA VAL 9 HA VAL 9 -6.423 1.972 -1.040
76 HB VAL 9 HB VAL 9 -3.621 1.118 -0.316
77 HG11 VAL 9 1HG1 VAL 9 -5.292 3.166 0.641
78 HG12 VAL 9 2HG1 VAL 9 -5.289 1.906 1.876
79 HG13 VAL 9 3HG1 VAL 9 -3.766 2.606 1.325
80 HG21 VAL 9 3HG2 VAL 9 -6.247 0.016 0.683
81 HG22 VAL 9 1HG2 VAL 9 -5.084 -0.832 -0.336
82 HG23 VAL 9 2HG2 VAL 9 -4.652 -0.392 1.316
83 H GLY 10 H GLY 10 -3.733 1.755 -3.219
84 HA2 GLY 10 2HA GLY 10 -2.608 4.312 -2.794
85 HA3 GLY 10 3HA GLY 10 -2.447 3.350 -4.256
86 H ALA 11 H ALA 11 -5.519 3.340 -4.336
87 HA ALA 11 HA ALA 11 -5.720 5.820 -5.864
88 HB1 ALA 11 1HB ALA 11 -6.844 3.181 -6.091
89 HB2 ALA 11 2HB ALA 11 -8.115 4.404 -6.114
90 HB3 ALA 11 3HB ALA 11 -6.792 4.485 -7.278
91 H GLY 12 H GLY 12 -7.644 4.042 -3.437
92 HA2 GLY 12 2HA GLY 12 -8.152 6.216 -1.781
93 HA3 GLY 12 3HA GLY 12 -9.451 6.176 -2.964
94 H GLY 13 H GLY 13 -7.809 3.340 -1.680
95 HA2 GLY 13 2HA GLY 13 -8.593 1.554 -0.469
96 HA3 GLY 13 3HA GLY 13 -9.582 2.721 0.397
97 H VAL 14 H VAL 14 -9.464 0.891 -2.648
98 HA VAL 14 HA VAL 14 -12.154 1.228 -3.356
99 HB VAL 14 HB VAL 14 -10.433 -1.176 -3.974
100 HG11 VAL 14 1HG1 VAL 14 -11.882 -1.031 -6.114
101 HG12 VAL 14 2HG1 VAL 14 -12.583 -1.729 -4.652
102 HG13 VAL 14 3HG1 VAL 14 -12.971 -0.071 -5.114
103 HG21 VAL 14 3HG2 VAL 14 -9.162 0.690 -4.655
104 HG22 VAL 14 1HG2 VAL 14 -9.975 0.117 -6.112
105 HG23 VAL 14 2HG2 VAL 14 -10.584 1.538 -5.263
106 H GLY 15 H GLY 15 -10.580 -1.076 -1.219
107 HA2 GLY 15 2HA GLY 15 -11.891 -1.924 0.653
108 HA3 GLY 15 3HA GLY 15 -13.258 -2.049 -0.445
109 H LYS 16 H LYS 16 -10.202 -2.992 -1.688
110 HA LYS 16 HA LYS 16 -11.080 -5.787 -1.658
111 HB2 LYS 16 2HB LYS 16 -8.809 -4.593 -3.249
112 HB3 LYS 16 3HB LYS 16 -9.594 -6.147 -3.502
113 HG2 LYS 16 2HG LYS 16 -10.822 -3.431 -3.927
114 HG3 LYS 16 3HG LYS 16 -10.313 -4.568 -5.178
115 HD2 LYS 16 2HD LYS 16 -12.479 -5.052 -3.132
116 HD3 LYS 16 3HD LYS 16 -12.739 -4.632 -4.827
117 HE2 LYS 16 2HE LYS 16 -11.254 -6.731 -5.276
118 HE3 LYS 16 3HE LYS 16 -11.716 -7.174 -3.633
119 HZ1 LYS 16 3HZ LYS 16 -14.091 -6.627 -4.545
120 HZ2 LYS 16 1HZ LYS 16 -13.387 -8.141 -4.817
121 HZ3 LYS 16 2HZ LYS 16 -13.375 -6.972 -6.039
122 H SER 17 H SER 17 -8.089 -3.902 -1.193
123 HA SER 17 HA SER 17 -6.453 -5.917 -0.257
124 HB2 SER 17 2HB SER 17 -5.389 -3.869 -0.661
125 HB3 SER 17 3HB SER 17 -6.552 -2.965 0.309
126 HG SER 17 HG SER 17 -4.496 -3.275 1.343
127 H HIS 18 H HIS 18 -9.016 -4.220 1.385
128 HA HIS 18 HA HIS 18 -8.433 -4.698 4.041
129 HB2 HIS 18 2HB HIS 18 -11.061 -4.604 2.570
130 HB3 HIS 18 3HB HIS 18 -10.982 -4.822 4.315
131 HD1 HIS 18 HD1 HIS 18 -8.644 -2.506 2.509
132 HD2 HIS 18 HD2 HIS 18 -12.046 -2.321 4.888
133 HE1 HIS 18 HE1 HIS 18 -8.919 -0.077 3.101
134 H VAL 19 H VAL 19 -9.561 -6.918 1.597
135 HA VAL 19 HA VAL 19 -10.411 -9.000 3.314
136 HB VAL 19 HB VAL 19 -9.332 -9.266 0.505
137 HG11 VAL 19 1HG1 VAL 19 -10.857 -11.261 0.480
138 HG12 VAL 19 2HG1 VAL 19 -9.453 -11.407 1.540
139 HG13 VAL 19 3HG1 VAL 19 -11.042 -11.055 2.222
140 HG21 VAL 19 3HG2 VAL 19 -11.775 -8.071 1.517
141 HG22 VAL 19 1HG2 VAL 19 -11.091 -8.042 -0.109
142 HG23 VAL 19 2HG2 VAL 19 -12.094 -9.399 0.402
143 H TRP 20 H TRP 20 -7.335 -8.404 1.636
144 HA TRP 20 HA TRP 20 -6.089 -10.690 2.893
145 HB2 TRP 20 2HB TRP 20 -5.019 -8.521 1.081
146 HB3 TRP 20 3HB TRP 20 -4.029 -9.830 1.720
147 HD1 TRP 20 HD1 TRP 20 -6.837 -9.150 -0.789
148 HE1 TRP 20 HE1 TRP 20 -7.036 -11.174 -2.368
149 HE3 TRP 20 HE3 TRP 20 -3.610 -12.339 1.567
150 HZ2 TRP 20 HZ2 TRP 20 -5.968 -13.777 -2.585
151 HZ3 TRP 20 HZ3 TRP 20 -3.255 -14.578 0.610
152 HH2 TRP 20 HH2 TRP 20 -4.411 -15.280 -1.423
Start of MODEL 4
1 H1 MET 1 H MET 1 1.549 0.134 1.241
2 HA MET 1 HA MET 1 1.346 -0.066 -1.692
3 HB2 MET 1 2HB MET 1 1.747 2.266 -0.841
4 HB3 MET 1 3HB MET 1 3.277 1.701 -0.185
5 HG2 MET 1 2HG MET 1 3.744 0.920 -2.607
6 HG3 MET 1 3HG MET 1 2.454 2.041 -3.033
7 HE1 MET 1 3HE MET 1 3.491 5.375 -2.448
8 HE2 MET 1 1HE MET 1 3.851 4.664 -4.021
9 HE3 MET 1 2HE MET 1 2.412 4.160 -3.134
10 H THR 2 H THR 2 1.787 -2.370 -0.545
11 HA THR 2 HA THR 2 4.704 -2.784 -0.663
12 HB THR 2 HB THR 2 3.700 -3.246 1.578
13 HG1 THR 2 HG1 THR 2 4.617 -5.644 0.363
14 HG21 THR 2 3HG2 THR 2 1.523 -4.091 0.754
15 HG22 THR 2 1HG2 THR 2 2.299 -5.200 1.884
16 HG23 THR 2 2HG2 THR 2 2.339 -5.534 0.152
17 H GLU 3 H GLU 3 1.554 -3.840 -1.724
18 HA GLU 3 HA GLU 3 2.774 -5.312 -3.901
19 HB2 GLU 3 2HB GLU 3 2.674 -7.114 -2.371
20 HB3 GLU 3 3HB GLU 3 1.086 -6.635 -1.788
21 HG2 GLU 3 2HG GLU 3 0.040 -7.351 -3.795
22 HG3 GLU 3 3HG GLU 3 1.594 -7.585 -4.593
23 H TYR 4 H TYR 4 -0.431 -5.120 -2.343
24 HA TYR 4 HA TYR 4 -1.533 -4.279 -4.940
25 HB2 TYR 4 2HB TYR 4 -3.743 -5.049 -3.800
26 HB3 TYR 4 3HB TYR 4 -2.633 -6.264 -4.425
27 HD1 TYR 4 HD2 TYR 4 -3.333 -4.396 -1.263
28 HD2 TYR 4 HD1 TYR 4 -2.092 -8.047 -3.061
29 HE1 TYR 4 HE2 TYR 4 -3.254 -5.455 0.956
30 HE2 TYR 4 HE1 TYR 4 -2.011 -9.117 -0.848
31 HH TYR 4 HH TYR 4 -2.575 -7.268 2.108
32 H LYS 5 H LYS 5 -1.084 -3.407 -1.643
33 HA LYS 5 HA LYS 5 -3.154 -1.536 -1.316
34 HB2 LYS 5 2HB LYS 5 -0.433 -1.822 -0.064
35 HB3 LYS 5 3HB LYS 5 -1.507 -0.499 0.368
36 HG2 LYS 5 2HG LYS 5 -2.933 -1.841 1.509
37 HG3 LYS 5 3HG LYS 5 -2.633 -3.233 0.466
38 HD2 LYS 5 2HD LYS 5 -1.617 -3.881 2.440
39 HD3 LYS 5 3HD LYS 5 -0.264 -3.191 1.541
40 HE2 LYS 5 2HE LYS 5 -0.279 -1.224 2.811
41 HE3 LYS 5 3HE LYS 5 -1.901 -1.531 3.430
42 HZ1 LYS 5 3HZ LYS 5 -0.362 -1.988 5.159
43 HZ2 LYS 5 1HZ LYS 5 0.597 -2.956 4.156
44 HZ3 LYS 5 2HZ LYS 5 -0.944 -3.481 4.616
45 H LEU 6 H LEU 6 -0.359 -1.455 -3.261
46 HA LEU 6 HA LEU 6 -0.131 1.422 -3.352
47 HB2 LEU 6 2HB LEU 6 1.563 1.028 -5.055
48 HB3 LEU 6 3HB LEU 6 1.847 0.040 -3.623
49 HG LEU 6 HG LEU 6 0.425 -1.669 -5.212
50 HD11 LEU 6 1HD1 LEU 6 2.355 -0.330 -7.076
51 HD12 LEU 6 2HD1 LEU 6 0.653 0.124 -7.020
52 HD13 LEU 6 3HD1 LEU 6 1.111 -1.526 -7.439
53 HD21 LEU 6 3HD2 LEU 6 2.346 -2.372 -4.034
54 HD22 LEU 6 1HD2 LEU 6 3.385 -1.238 -4.897
55 HD23 LEU 6 2HD2 LEU 6 2.706 -2.630 -5.742
56 H VAL 7 H VAL 7 -2.080 -0.921 -4.821
57 HA VAL 7 HA VAL 7 -2.746 0.915 -7.029
58 HB VAL 7 HB VAL 7 -3.172 -2.073 -6.882
59 HG11 VAL 7 1HG1 VAL 7 -4.879 -1.530 -8.266
60 HG12 VAL 7 2HG1 VAL 7 -4.169 0.023 -8.713
61 HG13 VAL 7 3HG1 VAL 7 -3.582 -1.464 -9.459
62 HG21 VAL 7 3HG2 VAL 7 -1.600 -1.725 -9.016
63 HG22 VAL 7 1HG2 VAL 7 -1.057 -0.358 -8.042
64 HG23 VAL 7 2HG2 VAL 7 -0.962 -1.996 -7.394
65 H VAL 8 H VAL 8 -4.253 -1.569 -4.956
66 HA VAL 8 HA VAL 8 -6.900 -0.681 -5.388
67 HB VAL 8 HB VAL 8 -5.804 -2.261 -3.056
68 HG11 VAL 8 1HG1 VAL 8 -7.855 -2.253 -2.209
69 HG12 VAL 8 2HG1 VAL 8 -8.368 -1.150 -3.488
70 HG13 VAL 8 3HG1 VAL 8 -8.502 -2.894 -3.719
71 HG21 VAL 8 3HG2 VAL 8 -7.086 -4.062 -4.596
72 HG22 VAL 8 1HG2 VAL 8 -6.482 -2.964 -5.838
73 HG23 VAL 8 2HG2 VAL 8 -5.358 -3.729 -4.715
74 H VAL 9 H VAL 9 -4.837 -0.351 -2.492
75 HA VAL 9 HA VAL 9 -6.599 1.605 -1.332
76 HB VAL 9 HB VAL 9 -3.806 0.898 -0.433
77 HG11 VAL 9 1HG1 VAL 9 -4.471 2.825 0.706
78 HG12 VAL 9 2HG1 VAL 9 -6.144 2.279 0.842
79 HG13 VAL 9 3HG1 VAL 9 -4.884 1.516 1.813
80 HG21 VAL 9 3HG2 VAL 9 -5.153 -1.132 -0.629
81 HG22 VAL 9 1HG2 VAL 9 -4.842 -0.735 1.061
82 HG23 VAL 9 2HG2 VAL 9 -6.420 -0.393 0.350
83 H GLY 10 H GLY 10 -3.744 1.638 -3.306
84 HA2 GLY 10 2HA GLY 10 -2.798 4.226 -2.721
85 HA3 GLY 10 3HA GLY 10 -2.517 3.350 -4.218
86 H ALA 11 H ALA 11 -5.576 3.190 -4.454
87 HA ALA 11 HA ALA 11 -5.826 5.613 -6.012
88 HB1 ALA 11 1HB ALA 11 -8.172 4.561 -6.431
89 HB2 ALA 11 2HB ALA 11 -6.737 3.829 -7.151
90 HB3 ALA 11 3HB ALA 11 -7.450 3.127 -5.699
91 H GLY 12 H GLY 12 -7.375 4.172 -3.165
92 HA2 GLY 12 2HA GLY 12 -7.821 6.497 -1.773
93 HA3 GLY 12 3HA GLY 12 -9.227 6.326 -2.814
94 H GLY 13 H GLY 13 -9.161 3.393 -2.701
95 HA2 GLY 13 2HA GLY 13 -9.226 1.852 -0.690
96 HA3 GLY 13 3HA GLY 13 -10.231 3.098 0.035
97 H VAL 14 H VAL 14 -10.070 0.569 -2.368
98 HA VAL 14 HA VAL 14 -12.834 0.928 -3.166
99 HB VAL 14 HB VAL 14 -10.979 -1.344 -3.880
100 HG11 VAL 14 1HG1 VAL 14 -12.859 -2.169 -4.758
101 HG12 VAL 14 2HG1 VAL 14 -13.724 -0.644 -4.556
102 HG13 VAL 14 3HG1 VAL 14 -12.706 -0.900 -5.974
103 HG21 VAL 14 3HG2 VAL 14 -10.904 0.096 -6.084
104 HG22 VAL 14 1HG2 VAL 14 -11.224 1.418 -4.962
105 HG23 VAL 14 2HG2 VAL 14 -9.791 0.412 -4.753
106 H GLY 15 H GLY 15 -10.912 -1.326 -1.239
107 HA2 GLY 15 2HA GLY 15 -11.956 -2.279 0.745
108 HA3 GLY 15 3HA GLY 15 -13.442 -2.420 -0.183
109 H LYS 16 H LYS 16 -10.528 -3.216 -1.812
110 HA LYS 16 HA LYS 16 -11.305 -6.041 -1.767
111 HB2 LYS 16 2HB LYS 16 -9.278 -4.757 -3.592
112 HB3 LYS 16 3HB LYS 16 -10.101 -6.297 -3.805
113 HG2 LYS 16 2HG LYS 16 -11.465 -3.614 -3.852
114 HG3 LYS 16 3HG LYS 16 -10.943 -4.505 -5.284
115 HD2 LYS 16 2HD LYS 16 -13.048 -5.317 -5.220
116 HD3 LYS 16 3HD LYS 16 -12.370 -6.415 -4.016
117 HE2 LYS 16 2HE LYS 16 -13.392 -5.353 -2.275
118 HE3 LYS 16 3HE LYS 16 -13.358 -3.781 -3.072
119 HZ1 LYS 16 3HZ LYS 16 -15.509 -5.487 -2.867
120 HZ2 LYS 16 1HZ LYS 16 -15.022 -5.595 -4.484
121 HZ3 LYS 16 2HZ LYS 16 -15.409 -4.090 -3.816
122 H SER 17 H SER 17 -8.260 -4.178 -1.835
123 HA SER 17 HA SER 17 -6.552 -6.194 -1.038
124 HB2 SER 17 2HB SER 17 -5.353 -4.342 -1.653
125 HB3 SER 17 3HB SER 17 -6.490 -3.224 -0.899
126 HG SER 17 HG SER 17 -4.931 -3.118 0.534
127 H HIS 18 H HIS 18 -8.754 -4.289 0.876
128 HA HIS 18 HA HIS 18 -7.753 -4.612 3.427
129 HB2 HIS 18 2HB HIS 18 -10.554 -4.440 2.359
130 HB3 HIS 18 3HB HIS 18 -10.269 -4.678 4.081
131 HD1 HIS 18 HD1 HIS 18 -8.835 -2.297 1.466
132 HD2 HIS 18 HD2 HIS 18 -10.360 -2.296 5.331
133 HE1 HIS 18 HE1 HIS 18 -8.723 0.095 2.233
134 H VAL 19 H VAL 19 -9.316 -6.946 1.364
135 HA VAL 19 HA VAL 19 -10.061 -8.874 3.235
136 HB VAL 19 HB VAL 19 -9.038 -9.326 0.428
137 HG11 VAL 19 1HG1 VAL 19 -9.000 -11.445 1.307
138 HG12 VAL 19 2HG1 VAL 19 -10.301 -11.113 2.452
139 HG13 VAL 19 3HG1 VAL 19 -10.668 -11.356 0.744
140 HG21 VAL 19 3HG2 VAL 19 -11.883 -9.576 0.780
141 HG22 VAL 19 1HG2 VAL 19 -11.331 -7.985 1.305
142 HG23 VAL 19 2HG2 VAL 19 -10.978 -8.546 -0.329
143 H TRP 20 H TRP 20 -6.984 -8.479 1.501
144 HA TRP 20 HA TRP 20 -5.783 -10.557 3.173
145 HB2 TRP 20 2HB TRP 20 -4.527 -9.063 0.864
146 HB3 TRP 20 3HB TRP 20 -3.936 -10.538 1.626
147 HD1 TRP 20 HD1 TRP 20 -6.477 -9.291 -0.914
148 HE1 TRP 20 HE1 TRP 20 -7.488 -11.312 -2.147
149 HE3 TRP 20 HE3 TRP 20 -4.518 -13.049 1.946
150 HZ2 TRP 20 HZ2 TRP 20 -7.459 -14.126 -1.934
151 HZ3 TRP 20 HZ3 TRP 20 -5.059 -15.378 1.364
152 HH2 TRP 20 HH2 TRP 20 -6.500 -15.903 -0.536
Start of MODEL 5
1 H1 MET 1 H MET 1 1.702 0.245 0.948
2 HA MET 1 HA MET 1 1.490 -0.066 -1.971
3 HB2 MET 1 2HB MET 1 2.213 2.166 -0.697
4 HB3 MET 1 3HB MET 1 3.786 1.381 -0.750
5 HG2 MET 1 2HG MET 1 3.698 1.252 -3.148
6 HG3 MET 1 3HG MET 1 2.052 1.882 -3.156
7 HE1 MET 1 3HE MET 1 5.498 2.249 -3.401
8 HE2 MET 1 1HE MET 1 5.711 3.932 -3.884
9 HE3 MET 1 2HE MET 1 5.965 3.459 -2.204
10 H THR 2 H THR 2 1.782 -2.412 -0.765
11 HA THR 2 HA THR 2 4.650 -3.048 -1.029
12 HB THR 2 HB THR 2 3.736 -3.399 1.270
13 HG1 THR 2 HG1 THR 2 5.482 -4.690 0.343
14 HG21 THR 2 3HG2 THR 2 1.458 -4.095 0.538
15 HG22 THR 2 1HG2 THR 2 2.193 -5.199 1.699
16 HG23 THR 2 2HG2 THR 2 2.146 -5.622 -0.013
17 H GLU 3 H GLU 3 1.373 -3.900 -1.884
18 HA GLU 3 HA GLU 3 2.354 -5.469 -4.112
19 HB2 GLU 3 2HB GLU 3 2.250 -7.241 -2.542
20 HB3 GLU 3 3HB GLU 3 0.727 -6.667 -1.879
21 HG2 GLU 3 2HG GLU 3 -0.431 -7.284 -3.907
22 HG3 GLU 3 3HG GLU 3 1.089 -7.773 -4.654
23 H TYR 4 H TYR 4 -0.734 -5.117 -2.361
24 HA TYR 4 HA TYR 4 -1.949 -4.213 -4.886
25 HB2 TYR 4 2HB TYR 4 -4.121 -4.862 -3.610
26 HB3 TYR 4 3HB TYR 4 -3.114 -6.138 -4.287
27 HD1 TYR 4 HD2 TYR 4 -3.518 -4.212 -1.108
28 HD2 TYR 4 HD1 TYR 4 -2.596 -7.940 -2.940
29 HE1 TYR 4 HE2 TYR 4 -3.363 -5.259 1.113
30 HE2 TYR 4 HE1 TYR 4 -2.439 -8.997 -0.725
31 HH TYR 4 HH TYR 4 -2.375 -8.634 1.489
32 H LYS 5 H LYS 5 -1.238 -3.352 -1.635
33 HA LYS 5 HA LYS 5 -3.181 -1.387 -1.163
34 HB2 LYS 5 2HB LYS 5 -0.419 -1.890 -0.122
35 HB3 LYS 5 3HB LYS 5 -1.239 -0.391 0.295
36 HG2 LYS 5 2HG LYS 5 -2.711 -1.416 1.667
37 HG3 LYS 5 3HG LYS 5 -2.781 -2.878 0.680
38 HD2 LYS 5 2HD LYS 5 -1.731 -3.442 2.753
39 HD3 LYS 5 3HD LYS 5 -0.487 -3.444 1.501
40 HE2 LYS 5 2HE LYS 5 0.594 -2.255 3.125
41 HE3 LYS 5 3HE LYS 5 -0.203 -0.936 2.268
42 HZ1 LYS 5 3HZ LYS 5 -2.040 -1.763 4.114
43 HZ2 LYS 5 1HZ LYS 5 -1.061 -0.387 4.226
44 HZ3 LYS 5 2HZ LYS 5 -0.572 -1.834 4.952
45 H LEU 6 H LEU 6 -0.533 -1.431 -3.319
46 HA LEU 6 HA LEU 6 -0.190 1.424 -3.470
47 HB2 LEU 6 2HB LEU 6 1.224 0.877 -5.443
48 HB3 LEU 6 3HB LEU 6 1.710 0.076 -3.950
49 HG LEU 6 HG LEU 6 -0.000 -1.722 -5.260
50 HD11 LEU 6 1HD1 LEU 6 0.681 -1.891 -7.460
51 HD12 LEU 6 2HD1 LEU 6 2.130 -0.921 -7.197
52 HD13 LEU 6 3HD1 LEU 6 0.546 -0.146 -7.244
53 HD21 LEU 6 3HD2 LEU 6 2.152 -2.993 -5.552
54 HD22 LEU 6 1HD2 LEU 6 1.814 -2.441 -3.911
55 HD23 LEU 6 2HD2 LEU 6 2.986 -1.578 -4.907
56 H VAL 7 H VAL 7 -2.366 -0.842 -4.765
57 HA VAL 7 HA VAL 7 -3.181 1.053 -6.871
58 HB VAL 7 HB VAL 7 -3.686 -1.922 -6.722
59 HG11 VAL 7 1HG1 VAL 7 -5.347 -1.608 -8.160
60 HG12 VAL 7 2HG1 VAL 7 -5.076 0.135 -8.119
61 HG13 VAL 7 3HG1 VAL 7 -4.216 -0.864 -9.291
62 HG21 VAL 7 3HG2 VAL 7 -2.301 -1.786 -8.901
63 HG22 VAL 7 1HG2 VAL 7 -1.752 -0.235 -8.265
64 HG23 VAL 7 2HG2 VAL 7 -1.459 -1.716 -7.353
65 H VAL 8 H VAL 8 -4.606 -1.455 -4.766
66 HA VAL 8 HA VAL 8 -7.240 -0.521 -4.913
67 HB VAL 8 HB VAL 8 -5.961 -2.003 -2.611
68 HG11 VAL 8 1HG1 VAL 8 -8.694 -2.680 -3.108
69 HG12 VAL 8 2HG1 VAL 8 -7.962 -2.010 -1.648
70 HG13 VAL 8 3HG1 VAL 8 -8.550 -0.933 -2.915
71 HG21 VAL 8 3HG2 VAL 8 -6.886 -2.861 -5.298
72 HG22 VAL 8 1HG2 VAL 8 -5.567 -3.477 -4.302
73 HG23 VAL 8 2HG2 VAL 8 -7.233 -3.924 -3.934
74 H VAL 9 H VAL 9 -4.798 0.011 -2.371
75 HA VAL 9 HA VAL 9 -6.474 2.042 -1.136
76 HB VAL 9 HB VAL 9 -3.693 1.208 -0.315
77 HG11 VAL 9 1HG1 VAL 9 -5.183 1.937 1.908
78 HG12 VAL 9 2HG1 VAL 9 -3.938 2.901 1.112
79 HG13 VAL 9 3HG1 VAL 9 -5.633 3.116 0.676
80 HG21 VAL 9 3HG2 VAL 9 -5.171 -0.746 -0.381
81 HG22 VAL 9 1HG2 VAL 9 -4.746 -0.311 1.275
82 HG23 VAL 9 2HG2 VAL 9 -6.336 0.102 0.635
83 H GLY 10 H GLY 10 -3.745 1.813 -3.254
84 HA2 GLY 10 2HA GLY 10 -2.675 4.410 -2.809
85 HA3 GLY 10 3HA GLY 10 -2.383 3.398 -4.215
86 H ALA 11 H ALA 11 -5.443 3.299 -4.508
87 HA ALA 11 HA ALA 11 -5.595 5.709 -6.150
88 HB1 ALA 11 1HB ALA 11 -6.938 3.069 -6.156
89 HB2 ALA 11 2HB ALA 11 -7.859 4.446 -6.763
90 HB3 ALA 11 3HB ALA 11 -6.311 4.029 -7.497
91 H GLY 12 H GLY 12 -7.633 3.985 -3.778
92 HA2 GLY 12 2HA GLY 12 -8.322 6.269 -2.313
93 HA3 GLY 12 3HA GLY 12 -9.565 6.020 -3.529
94 H GLY 13 H GLY 13 -7.787 3.422 -1.970
95 HA2 GLY 13 2HA GLY 13 -8.506 1.666 -0.679
96 HA3 GLY 13 3HA GLY 13 -9.507 2.854 0.143
97 H VAL 14 H VAL 14 -9.422 0.928 -2.850
98 HA VAL 14 HA VAL 14 -12.115 1.128 -3.513
99 HB VAL 14 HB VAL 14 -10.344 -1.278 -3.963
100 HG11 VAL 14 1HG1 VAL 14 -12.048 -2.172 -5.068
101 HG12 VAL 14 2HG1 VAL 14 -13.064 -0.823 -4.556
102 HG13 VAL 14 3HG1 VAL 14 -12.180 -0.733 -6.080
103 HG21 VAL 14 3HG2 VAL 14 -10.164 -0.063 -6.279
104 HG22 VAL 14 1HG2 VAL 14 -10.527 1.371 -5.320
105 HG23 VAL 14 2HG2 VAL 14 -9.107 0.395 -4.944
106 H GLY 15 H GLY 15 -10.490 -1.006 -1.236
107 HA2 GLY 15 2HA GLY 15 -11.712 -1.764 0.710
108 HA3 GLY 15 3HA GLY 15 -13.146 -1.879 -0.299
109 H LYS 16 H LYS 16 -10.234 -2.996 -1.710
110 HA LYS 16 HA LYS 16 -11.218 -5.742 -1.536
111 HB2 LYS 16 2HB LYS 16 -8.951 -4.661 -3.215
112 HB3 LYS 16 3HB LYS 16 -9.734 -6.227 -3.379
113 HG2 LYS 16 2HG LYS 16 -10.971 -3.535 -3.913
114 HG3 LYS 16 3HG LYS 16 -10.502 -4.744 -5.111
115 HD2 LYS 16 2HD LYS 16 -12.619 -5.088 -2.987
116 HD3 LYS 16 3HD LYS 16 -12.915 -4.778 -4.699
117 HE2 LYS 16 2HE LYS 16 -11.807 -6.885 -5.267
118 HE3 LYS 16 3HE LYS 16 -11.506 -7.191 -3.557
119 HZ1 LYS 16 3HZ LYS 16 -14.065 -7.231 -5.019
120 HZ2 LYS 16 1HZ LYS 16 -14.042 -6.967 -3.347
121 HZ3 LYS 16 2HZ LYS 16 -13.410 -8.400 -3.987
122 H SER 17 H SER 17 -8.219 -3.904 -1.023
123 HA SER 17 HA SER 17 -6.568 -5.940 -0.161
124 HB2 SER 17 2HB SER 17 -5.533 -3.855 -0.458
125 HB3 SER 17 3HB SER 17 -6.714 -3.021 0.552
126 HG SER 17 HG SER 17 -5.587 -3.507 2.263
127 H HIS 18 H HIS 18 -9.176 -4.358 1.524
128 HA HIS 18 HA HIS 18 -8.616 -4.959 4.162
129 HB2 HIS 18 2HB HIS 18 -11.194 -4.734 2.637
130 HB3 HIS 18 3HB HIS 18 -11.202 -5.171 4.343
131 HD1 HIS 18 HD1 HIS 18 -9.570 -2.429 2.253
132 HD2 HIS 18 HD2 HIS 18 -11.504 -2.987 5.887
133 HE1 HIS 18 HE1 HIS 18 -9.677 -0.151 3.314
134 H VAL 19 H VAL 19 -9.650 -7.067 1.592
135 HA VAL 19 HA VAL 19 -10.492 -9.241 3.222
136 HB VAL 19 HB VAL 19 -9.500 -9.318 0.369
137 HG11 VAL 19 1HG1 VAL 19 -9.524 -11.530 1.026
138 HG12 VAL 19 2HG1 VAL 19 -10.872 -11.295 2.140
139 HG13 VAL 19 3HG1 VAL 19 -11.159 -11.326 0.400
140 HG21 VAL 19 3HG2 VAL 19 -11.395 -7.744 0.768
141 HG22 VAL 19 1HG2 VAL 19 -11.784 -9.079 -0.317
142 HG23 VAL 19 2HG2 VAL 19 -12.342 -9.110 1.356
143 H TRP 20 H TRP 20 -7.449 -8.450 1.583
144 HA TRP 20 HA TRP 20 -6.149 -10.826 2.590
145 HB2 TRP 20 2HB TRP 20 -5.142 -8.454 1.014
146 HB3 TRP 20 3HB TRP 20 -4.109 -9.787 1.522
147 HD1 TRP 20 HD1 TRP 20 -6.905 -8.934 -0.938
148 HE1 TRP 20 HE1 TRP 20 -7.053 -10.803 -2.701
149 HE3 TRP 20 HE3 TRP 20 -3.656 -12.280 1.154
150 HZ2 TRP 20 HZ2 TRP 20 -5.939 -13.358 -3.146
151 HZ3 TRP 20 HZ3 TRP 20 -3.253 -14.414 -0.004
152 HH2 TRP 20 HH2 TRP 20 -4.372 -14.940 -2.109
Start of MODEL 6
1 H1 MET 1 H MET 1 0.924 0.891 -1.186
2 HA MET 1 HA MET 1 2.921 0.222 -2.522
3 HB2 MET 1 2HB MET 1 2.984 2.101 -0.804
4 HB3 MET 1 3HB MET 1 3.719 0.942 0.295
5 HG2 MET 1 2HG MET 1 5.670 0.813 -0.933
6 HG3 MET 1 3HG MET 1 4.901 1.401 -2.406
7 HE1 MET 1 3HE MET 1 7.170 2.542 -2.538
8 HE2 MET 1 1HE MET 1 6.134 3.826 -3.163
9 HE3 MET 1 2HE MET 1 7.399 4.204 -1.993
10 H THR 2 H THR 2 1.731 -2.178 -1.134
11 HA THR 2 HA THR 2 4.261 -3.569 -0.535
12 HB THR 2 HB THR 2 2.699 -3.406 1.409
13 HG1 THR 2 HG1 THR 2 3.674 -5.208 1.904
14 HG21 THR 2 3HG2 THR 2 0.955 -5.430 0.065
15 HG22 THR 2 1HG2 THR 2 0.664 -3.712 -0.204
16 HG23 THR 2 2HG2 THR 2 0.597 -4.372 1.430
17 H GLU 3 H GLU 3 1.241 -3.617 -2.284
18 HA GLU 3 HA GLU 3 2.217 -5.306 -4.304
19 HB2 GLU 3 2HB GLU 3 2.067 -7.151 -2.833
20 HB3 GLU 3 3HB GLU 3 0.521 -6.614 -2.189
21 HG2 GLU 3 2HG GLU 3 -0.611 -7.208 -4.193
22 HG3 GLU 3 3HG GLU 3 0.910 -7.504 -5.033
23 H TYR 4 H TYR 4 -0.940 -5.017 -2.666
24 HA TYR 4 HA TYR 4 -2.060 -4.048 -5.211
25 HB2 TYR 4 2HB TYR 4 -4.278 -4.744 -4.042
26 HB3 TYR 4 3HB TYR 4 -3.239 -5.993 -4.720
27 HD1 TYR 4 HD2 TYR 4 -3.783 -4.176 -1.499
28 HD2 TYR 4 HD1 TYR 4 -2.757 -7.835 -3.412
29 HE1 TYR 4 HE2 TYR 4 -3.709 -5.293 0.691
30 HE2 TYR 4 HE1 TYR 4 -2.681 -8.963 -1.228
31 HH TYR 4 HH TYR 4 -2.415 -8.443 1.104
32 H LYS 5 H LYS 5 -1.491 -3.290 -1.904
33 HA LYS 5 HA LYS 5 -3.459 -1.348 -1.451
34 HB2 LYS 5 2HB LYS 5 -0.742 -1.880 -0.314
35 HB3 LYS 5 3HB LYS 5 -1.573 -0.389 0.109
36 HG2 LYS 5 2HG LYS 5 -3.119 -1.447 1.379
37 HG3 LYS 5 3HG LYS 5 -3.122 -2.893 0.367
38 HD2 LYS 5 2HD LYS 5 -1.823 -3.897 1.866
39 HD3 LYS 5 3HD LYS 5 -0.556 -2.720 1.516
40 HE2 LYS 5 2HE LYS 5 -2.748 -1.922 3.360
41 HE3 LYS 5 3HE LYS 5 -1.528 -3.047 3.957
42 HZ1 LYS 5 3HZ LYS 5 0.055 -1.244 2.892
43 HZ2 LYS 5 1HZ LYS 5 -0.525 -1.099 4.475
44 HZ3 LYS 5 2HZ LYS 5 -1.262 -0.234 3.223
45 H LEU 6 H LEU 6 -0.704 -1.308 -3.479
46 HA LEU 6 HA LEU 6 -0.379 1.550 -3.533
47 HB2 LEU 6 2HB LEU 6 1.113 1.067 -5.469
48 HB3 LEU 6 3HB LEU 6 1.548 0.237 -3.977
49 HG LEU 6 HG LEU 6 -0.037 -1.604 -5.287
50 HD11 LEU 6 1HD1 LEU 6 0.182 -0.008 -7.276
51 HD12 LEU 6 2HD1 LEU 6 0.563 -1.709 -7.539
52 HD13 LEU 6 3HD1 LEU 6 1.864 -0.535 -7.345
53 HD21 LEU 6 3HD2 LEU 6 2.351 -2.520 -5.914
54 HD22 LEU 6 1HD2 LEU 6 1.809 -2.453 -4.237
55 HD23 LEU 6 2HD2 LEU 6 2.883 -1.203 -4.867
56 H VAL 7 H VAL 7 -2.484 -0.684 -4.992
57 HA VAL 7 HA VAL 7 -3.208 1.262 -7.084
58 HB VAL 7 HB VAL 7 -3.762 -1.708 -6.999
59 HG11 VAL 7 1HG1 VAL 7 -5.557 -0.884 -8.188
60 HG12 VAL 7 2HG1 VAL 7 -4.639 0.475 -8.839
61 HG13 VAL 7 3HG1 VAL 7 -4.378 -1.151 -9.471
62 HG21 VAL 7 3HG2 VAL 7 -2.302 -1.324 -9.224
63 HG22 VAL 7 1HG2 VAL 7 -1.624 -0.063 -8.195
64 HG23 VAL 7 2HG2 VAL 7 -1.599 -1.743 -7.661
65 H VAL 8 H VAL 8 -4.710 -1.221 -5.006
66 HA VAL 8 HA VAL 8 -7.338 -0.269 -5.260
67 HB VAL 8 HB VAL 8 -6.117 -1.815 -2.969
68 HG11 VAL 8 1HG1 VAL 8 -8.106 -1.114 -2.066
69 HG12 VAL 8 2HG1 VAL 8 -8.914 -1.029 -3.632
70 HG13 VAL 8 3HG1 VAL 8 -8.621 -2.594 -2.874
71 HG21 VAL 8 3HG2 VAL 8 -5.856 -3.342 -4.609
72 HG22 VAL 8 1HG2 VAL 8 -7.583 -3.602 -4.362
73 HG23 VAL 8 2HG2 VAL 8 -7.026 -2.559 -5.671
74 H VAL 9 H VAL 9 -5.010 0.190 -2.597
75 HA VAL 9 HA VAL 9 -6.697 2.240 -1.419
76 HB VAL 9 HB VAL 9 -3.955 1.368 -0.509
77 HG11 VAL 9 1HG1 VAL 9 -5.976 3.234 0.476
78 HG12 VAL 9 2HG1 VAL 9 -5.407 2.091 1.693
79 HG13 VAL 9 3HG1 VAL 9 -4.256 3.124 0.847
80 HG21 VAL 9 3HG2 VAL 9 -5.467 -0.563 -0.646
81 HG22 VAL 9 1HG2 VAL 9 -5.070 -0.156 1.024
82 HG23 VAL 9 2HG2 VAL 9 -6.639 0.292 0.356
83 H GLY 10 H GLY 10 -3.882 1.999 -3.428
84 HA2 GLY 10 2HA GLY 10 -2.804 4.578 -2.927
85 HA3 GLY 10 3HA GLY 10 -2.481 3.579 -4.336
86 H ALA 11 H ALA 11 -5.525 3.519 -4.735
87 HA ALA 11 HA ALA 11 -5.600 5.961 -6.337
88 HB1 ALA 11 1HB ALA 11 -6.954 3.329 -6.450
89 HB2 ALA 11 2HB ALA 11 -7.845 4.723 -7.062
90 HB3 ALA 11 3HB ALA 11 -6.272 4.313 -7.745
91 H GLY 12 H GLY 12 -7.357 4.343 -3.739
92 HA2 GLY 12 2HA GLY 12 -8.295 6.749 -2.619
93 HA3 GLY 12 3HA GLY 12 -9.574 6.052 -3.603
94 H GLY 13 H GLY 13 -9.227 3.356 -3.146
95 HA2 GLY 13 2HA GLY 13 -8.858 1.971 -1.064
96 HA3 GLY 13 3HA GLY 13 -9.835 3.191 -0.260
97 H VAL 14 H VAL 14 -9.857 0.560 -2.576
98 HA VAL 14 HA VAL 14 -12.711 0.649 -2.959
99 HB VAL 14 HB VAL 14 -10.830 -1.603 -3.668
100 HG11 VAL 14 1HG1 VAL 14 -13.634 -0.879 -4.429
101 HG12 VAL 14 2HG1 VAL 14 -12.628 -1.847 -5.509
102 HG13 VAL 14 3HG1 VAL 14 -12.991 -2.427 -3.883
103 HG21 VAL 14 3HG2 VAL 14 -9.924 0.307 -4.729
104 HG22 VAL 14 1HG2 VAL 14 -10.877 -0.525 -5.958
105 HG23 VAL 14 2HG2 VAL 14 -11.521 0.913 -5.167
106 H GLY 15 H GLY 15 -10.423 -1.293 -1.088
107 HA2 GLY 15 2HA GLY 15 -11.212 -2.020 1.127
108 HA3 GLY 15 3HA GLY 15 -12.734 -2.439 0.354
109 H LYS 16 H LYS 16 -9.857 -3.132 -1.393
110 HA LYS 16 HA LYS 16 -10.416 -5.952 -1.296
111 HB2 LYS 16 2HB LYS 16 -8.096 -4.502 -2.583
112 HB3 LYS 16 3HB LYS 16 -8.578 -6.166 -2.886
113 HG2 LYS 16 2HG LYS 16 -10.152 -3.689 -3.555
114 HG3 LYS 16 3HG LYS 16 -9.323 -4.758 -4.689
115 HD2 LYS 16 2HD LYS 16 -11.633 -5.529 -2.904
116 HD3 LYS 16 3HD LYS 16 -11.736 -5.191 -4.634
117 HE2 LYS 16 2HE LYS 16 -10.090 -7.386 -3.378
118 HE3 LYS 16 3HE LYS 16 -11.665 -7.605 -4.139
119 HZ1 LYS 16 3HZ LYS 16 -9.838 -8.164 -5.634
120 HZ2 LYS 16 1HZ LYS 16 -9.231 -6.590 -5.506
121 HZ3 LYS 16 2HZ LYS 16 -10.737 -6.861 -6.228
122 H SER 17 H SER 17 -7.653 -3.913 -0.350
123 HA SER 17 HA SER 17 -6.009 -5.861 0.707
124 HB2 SER 17 2HB SER 17 -5.094 -3.695 0.535
125 HB3 SER 17 3HB SER 17 -6.418 -2.969 1.446
126 HG SER 17 HG SER 17 -4.935 -3.114 2.973
127 H HIS 18 H HIS 18 -8.876 -4.412 2.076
128 HA HIS 18 HA HIS 18 -8.602 -5.066 4.754
129 HB2 HIS 18 2HB HIS 18 -11.107 -5.077 3.058
130 HB3 HIS 18 3HB HIS 18 -11.089 -5.109 4.819
131 HD1 HIS 18 HD1 HIS 18 -8.524 -2.944 4.555
132 HD2 HIS 18 HD2 HIS 18 -12.494 -2.568 3.388
133 HE1 HIS 18 HE1 HIS 18 -8.962 -0.470 4.449
134 H VAL 19 H VAL 19 -9.259 -7.115 2.026
135 HA VAL 19 HA VAL 19 -10.129 -9.359 3.620
136 HB VAL 19 HB VAL 19 -9.310 -9.332 0.713
137 HG11 VAL 19 1HG1 VAL 19 -10.410 -11.366 2.541
138 HG12 VAL 19 2HG1 VAL 19 -11.159 -11.277 0.945
139 HG13 VAL 19 3HG1 VAL 19 -9.423 -11.554 1.092
140 HG21 VAL 19 3HG2 VAL 19 -11.170 -8.198 0.276
141 HG22 VAL 19 1HG2 VAL 19 -12.112 -9.502 0.999
142 HG23 VAL 19 2HG2 VAL 19 -11.574 -8.148 1.992
143 H TRP 20 H TRP 20 -7.317 -8.749 1.509
144 HA TRP 20 HA TRP 20 -5.886 -10.941 2.788
145 HB2 TRP 20 2HB TRP 20 -4.971 -9.150 0.530
146 HB3 TRP 20 3HB TRP 20 -4.238 -10.669 1.037
147 HD1 TRP 20 HD1 TRP 20 -7.134 -9.271 -0.993
148 HE1 TRP 20 HE1 TRP 20 -8.243 -11.191 -2.301
149 HE3 TRP 20 HE3 TRP 20 -4.699 -13.224 1.148
150 HZ2 TRP 20 HZ2 TRP 20 -8.104 -14.008 -2.409
151 HZ3 TRP 20 HZ3 TRP 20 -5.246 -15.499 0.386
152 HH2 TRP 20 HH2 TRP 20 -6.914 -15.881 -1.355
Start of MODEL 7
1 H1 MET 1 H MET 1 1.751 0.311 0.919
2 HA MET 1 HA MET 1 1.318 -0.031 -1.974
3 HB2 MET 1 2HB MET 1 1.846 2.330 -1.336
4 HB3 MET 1 3HB MET 1 3.389 1.769 -0.708
5 HG2 MET 1 2HG MET 1 3.608 0.761 -3.136
6 HG3 MET 1 3HG MET 1 2.466 2.049 -3.511
7 HE1 MET 1 3HE MET 1 6.869 2.457 -2.358
8 HE2 MET 1 1HE MET 1 5.775 1.574 -1.293
9 HE3 MET 1 2HE MET 1 6.031 1.021 -2.947
10 H THR 2 H THR 2 1.770 -2.279 -0.741
11 HA THR 2 HA THR 2 4.658 -2.799 -1.034
12 HB THR 2 HB THR 2 3.800 -3.101 1.295
13 HG1 THR 2 HG1 THR 2 4.961 -4.971 1.563
14 HG21 THR 2 3HG2 THR 2 2.272 -5.414 0.096
15 HG22 THR 2 1HG2 THR 2 1.547 -3.916 0.679
16 HG23 THR 2 2HG2 THR 2 2.371 -4.994 1.805
17 H GLU 3 H GLU 3 1.408 -3.811 -1.802
18 HA GLU 3 HA GLU 3 2.423 -5.438 -3.974
19 HB2 GLU 3 2HB GLU 3 2.384 -7.150 -2.341
20 HB3 GLU 3 3HB GLU 3 0.858 -6.586 -1.673
21 HG2 GLU 3 2HG GLU 3 -0.343 -7.352 -3.591
22 HG3 GLU 3 3HG GLU 3 1.156 -7.739 -4.434
23 H TYR 4 H TYR 4 -0.653 -5.060 -2.206
24 HA TYR 4 HA TYR 4 -1.918 -4.328 -4.762
25 HB2 TYR 4 2HB TYR 4 -4.060 -4.958 -3.425
26 HB3 TYR 4 3HB TYR 4 -3.033 -6.243 -4.053
27 HD1 TYR 4 HD2 TYR 4 -3.447 -4.175 -0.966
28 HD2 TYR 4 HD1 TYR 4 -2.447 -7.962 -2.627
29 HE1 TYR 4 HE2 TYR 4 -3.237 -5.107 1.300
30 HE2 TYR 4 HE1 TYR 4 -2.235 -8.905 -0.365
31 HH TYR 4 HH TYR 4 -1.919 -8.257 1.878
32 H LYS 5 H LYS 5 -1.200 -3.284 -1.564
33 HA LYS 5 HA LYS 5 -3.185 -1.336 -1.191
34 HB2 LYS 5 2HB LYS 5 -0.423 -1.748 -0.113
35 HB3 LYS 5 3HB LYS 5 -1.260 -0.239 0.222
36 HG2 LYS 5 2HG LYS 5 -2.754 -1.213 1.618
37 HG3 LYS 5 3HG LYS 5 -2.755 -2.739 0.732
38 HD2 LYS 5 2HD LYS 5 -1.648 -3.372 2.637
39 HD3 LYS 5 3HD LYS 5 -0.284 -2.880 1.631
40 HE2 LYS 5 2HE LYS 5 -0.041 -0.843 2.764
41 HE3 LYS 5 3HE LYS 5 -1.648 -0.950 3.480
42 HZ1 LYS 5 3HZ LYS 5 0.016 -1.435 5.126
43 HZ2 LYS 5 1HZ LYS 5 0.695 -2.644 4.157
44 HZ3 LYS 5 2HZ LYS 5 -0.857 -2.846 4.798
45 H LEU 6 H LEU 6 -0.544 -1.446 -3.345
46 HA LEU 6 HA LEU 6 -0.283 1.417 -3.639
47 HB2 LEU 6 2HB LEU 6 1.294 0.886 -5.413
48 HB3 LEU 6 3HB LEU 6 1.657 -0.014 -3.942
49 HG LEU 6 HG LEU 6 0.111 -1.793 -5.330
50 HD11 LEU 6 1HD1 LEU 6 0.088 -0.335 -7.299
51 HD12 LEU 6 2HD1 LEU 6 0.944 -1.845 -7.611
52 HD13 LEU 6 3HD1 LEU 6 1.852 -0.359 -7.332
53 HD21 LEU 6 3HD2 LEU 6 3.090 -1.402 -5.204
54 HD22 LEU 6 1HD2 LEU 6 2.346 -2.825 -5.932
55 HD23 LEU 6 2HD2 LEU 6 2.082 -2.468 -4.225
56 H VAL 7 H VAL 7 -2.374 -0.967 -4.790
57 HA VAL 7 HA VAL 7 -3.142 0.703 -7.094
58 HB VAL 7 HB VAL 7 -3.769 -2.224 -6.694
59 HG11 VAL 7 1HG1 VAL 7 -4.536 -0.192 -8.673
60 HG12 VAL 7 2HG1 VAL 7 -3.993 -1.729 -9.348
61 HG13 VAL 7 3HG1 VAL 7 -5.342 -1.691 -8.211
62 HG21 VAL 7 3HG2 VAL 7 -1.393 -2.001 -6.982
63 HG22 VAL 7 1HG2 VAL 7 -2.089 -2.595 -8.490
64 HG23 VAL 7 2HG2 VAL 7 -1.616 -0.902 -8.342
65 H VAL 8 H VAL 8 -4.568 -1.544 -4.716
66 HA VAL 8 HA VAL 8 -7.215 -0.617 -5.045
67 HB VAL 8 HB VAL 8 -5.981 -2.020 -2.670
68 HG11 VAL 8 1HG1 VAL 8 -7.935 -1.767 -1.650
69 HG12 VAL 8 2HG1 VAL 8 -8.570 -0.879 -3.037
70 HG13 VAL 8 3HG1 VAL 8 -8.720 -2.635 -2.969
71 HG21 VAL 8 3HG2 VAL 8 -7.113 -4.024 -3.715
72 HG22 VAL 8 1HG2 VAL 8 -7.323 -3.039 -5.163
73 HG23 VAL 8 2HG2 VAL 8 -5.702 -3.404 -4.573
74 H VAL 9 H VAL 9 -4.931 -0.071 -2.356
75 HA VAL 9 HA VAL 9 -6.564 2.040 -1.272
76 HB VAL 9 HB VAL 9 -3.743 1.321 -0.478
77 HG11 VAL 9 1HG1 VAL 9 -4.715 2.163 1.768
78 HG12 VAL 9 2HG1 VAL 9 -4.247 3.344 0.543
79 HG13 VAL 9 3HG1 VAL 9 -5.946 2.925 0.762
80 HG21 VAL 9 3HG2 VAL 9 -5.426 0.204 1.396
81 HG22 VAL 9 1HG2 VAL 9 -6.231 -0.149 -0.134
82 HG23 VAL 9 2HG2 VAL 9 -4.565 -0.667 0.127
83 H GLY 10 H GLY 10 -3.737 1.779 -3.308
84 HA2 GLY 10 2HA GLY 10 -2.738 4.389 -3.058
85 HA3 GLY 10 3HA GLY 10 -2.527 3.351 -4.460
86 H ALA 11 H ALA 11 -5.571 3.222 -4.637
87 HA ALA 11 HA ALA 11 -5.824 5.572 -6.330
88 HB1 ALA 11 1HB ALA 11 -6.774 2.944 -6.469
89 HB2 ALA 11 2HB ALA 11 -8.199 3.956 -6.228
90 HB3 ALA 11 3HB ALA 11 -7.114 4.269 -7.583
91 H GLY 12 H GLY 12 -7.099 4.299 -3.330
92 HA2 GLY 12 2HA GLY 12 -7.802 6.617 -2.127
93 HA3 GLY 12 3HA GLY 12 -9.195 6.282 -3.145
94 H GLY 13 H GLY 13 -8.638 3.320 -2.758
95 HA2 GLY 13 2HA GLY 13 -8.738 1.834 -0.831
96 HA3 GLY 13 3HA GLY 13 -9.606 3.102 0.022
97 H VAL 14 H VAL 14 -9.851 0.907 -2.754
98 HA VAL 14 HA VAL 14 -12.640 1.255 -3.128
99 HB VAL 14 HB VAL 14 -10.979 -1.143 -3.909
100 HG11 VAL 14 1HG1 VAL 14 -13.748 -0.349 -4.346
101 HG12 VAL 14 2HG1 VAL 14 -12.888 -0.724 -5.840
102 HG13 VAL 14 3HG1 VAL 14 -12.974 -1.921 -4.547
103 HG21 VAL 14 3HG2 VAL 14 -11.473 1.436 -5.395
104 HG22 VAL 14 1HG2 VAL 14 -9.930 0.861 -4.762
105 HG23 VAL 14 2HG2 VAL 14 -10.717 -0.000 -6.085
106 H GLY 15 H GLY 15 -10.709 -1.043 -1.266
107 HA2 GLY 15 2HA GLY 15 -11.659 -1.843 0.835
108 HA3 GLY 15 3HA GLY 15 -13.210 -1.950 0.015
109 H LYS 16 H LYS 16 -10.388 -2.968 -1.690
110 HA LYS 16 HA LYS 16 -11.364 -5.720 -1.611
111 HB2 LYS 16 2HB LYS 16 -9.176 -4.549 -3.334
112 HB3 LYS 16 3HB LYS 16 -9.967 -6.105 -3.544
113 HG2 LYS 16 2HG LYS 16 -11.230 -3.392 -3.873
114 HG3 LYS 16 3HG LYS 16 -10.812 -4.529 -5.156
115 HD2 LYS 16 2HD LYS 16 -12.826 -5.013 -2.960
116 HD3 LYS 16 3HD LYS 16 -13.207 -4.593 -4.632
117 HE2 LYS 16 2HE LYS 16 -12.026 -6.658 -5.355
118 HE3 LYS 16 3HE LYS 16 -11.820 -7.088 -3.657
119 HZ1 LYS 16 3HZ LYS 16 -14.290 -6.977 -3.467
120 HZ2 LYS 16 1HZ LYS 16 -13.721 -8.224 -4.459
121 HZ3 LYS 16 2HZ LYS 16 -14.369 -6.823 -5.149
122 H SER 17 H SER 17 -8.310 -3.940 -1.198
123 HA SER 17 HA SER 17 -6.659 -6.036 -0.490
124 HB2 SER 17 2HB SER 17 -5.504 -4.049 -0.734
125 HB3 SER 17 3HB SER 17 -6.698 -3.120 0.172
126 HG SER 17 HG SER 17 -5.011 -3.302 1.537
127 H HIS 18 H HIS 18 -9.124 -4.441 1.390
128 HA HIS 18 HA HIS 18 -8.427 -5.128 3.972
129 HB2 HIS 18 2HB HIS 18 -11.101 -4.849 2.623
130 HB3 HIS 18 3HB HIS 18 -10.981 -5.263 4.330
131 HD1 HIS 18 HD1 HIS 18 -9.052 -2.671 2.318
132 HD2 HIS 18 HD2 HIS 18 -11.558 -2.957 5.619
133 HE1 HIS 18 HE1 HIS 18 -9.152 -0.353 3.289
134 H VAL 19 H VAL 19 -9.682 -7.140 1.418
135 HA VAL 19 HA VAL 19 -10.557 -9.328 2.951
136 HB VAL 19 HB VAL 19 -9.413 -9.340 0.154
137 HG11 VAL 19 1HG1 VAL 19 -9.388 -11.571 0.845
138 HG12 VAL 19 2HG1 VAL 19 -10.888 -11.401 1.759
139 HG13 VAL 19 3HG1 VAL 19 -10.925 -11.406 -0.004
140 HG21 VAL 19 3HG2 VAL 19 -11.830 -8.253 1.193
141 HG22 VAL 19 1HG2 VAL 19 -11.282 -8.327 -0.482
142 HG23 VAL 19 2HG2 VAL 19 -12.228 -9.652 0.195
143 H TRP 20 H TRP 20 -7.391 -8.526 1.593
144 HA TRP 20 HA TRP 20 -6.191 -10.971 2.536
145 HB2 TRP 20 2HB TRP 20 -5.028 -8.469 1.303
146 HB3 TRP 20 3HB TRP 20 -4.056 -9.859 1.778
147 HD1 TRP 20 HD1 TRP 20 -6.675 -8.785 -0.810
148 HE1 TRP 20 HE1 TRP 20 -6.615 -10.451 -2.771
149 HE3 TRP 20 HE3 TRP 20 -3.455 -12.237 1.153
150 HZ2 TRP 20 HZ2 TRP 20 -5.369 -12.903 -3.403
151 HZ3 TRP 20 HZ3 TRP 20 -2.880 -14.214 -0.194
152 HH2 TRP 20 HH2 TRP 20 -3.819 -14.539 -2.424
Start of MODEL 8
1 H1 MET 1 H MET 1 1.599 0.303 0.996
2 HA MET 1 HA MET 1 1.290 0.006 -1.920
3 HB2 MET 1 2HB MET 1 1.763 2.342 -1.132
4 HB3 MET 1 3HB MET 1 3.302 1.763 -0.510
5 HG2 MET 1 2HG MET 1 3.655 0.916 -2.944
6 HG3 MET 1 3HG MET 1 2.406 2.098 -3.332
7 HE1 MET 1 3HE MET 1 6.736 2.794 -2.193
8 HE2 MET 1 1HE MET 1 5.737 2.228 -0.854
9 HE3 MET 1 2HE MET 1 5.857 1.270 -2.330
10 H THR 2 H THR 2 1.732 -2.290 -0.762
11 HA THR 2 HA THR 2 4.635 -2.759 -0.980
12 HB THR 2 HB THR 2 3.705 -3.173 1.302
13 HG1 THR 2 HG1 THR 2 5.284 -4.569 1.346
14 HG21 THR 2 3HG2 THR 2 2.288 -5.106 1.680
15 HG22 THR 2 1HG2 THR 2 2.247 -5.448 -0.049
16 HG23 THR 2 2HG2 THR 2 1.485 -3.986 0.580
17 H GLU 3 H GLU 3 1.430 -3.773 -1.908
18 HA GLU 3 HA GLU 3 2.542 -5.293 -4.110
19 HB2 GLU 3 2HB GLU 3 2.469 -7.073 -2.553
20 HB3 GLU 3 3HB GLU 3 0.912 -6.560 -1.919
21 HG2 GLU 3 2HG GLU 3 -0.211 -7.268 -3.898
22 HG3 GLU 3 3HG GLU 3 1.318 -7.575 -4.719
23 H TYR 4 H TYR 4 -0.598 -5.028 -2.436
24 HA TYR 4 HA TYR 4 -1.784 -4.201 -5.001
25 HB2 TYR 4 2HB TYR 4 -3.962 -4.918 -3.772
26 HB3 TYR 4 3HB TYR 4 -2.895 -6.160 -4.415
27 HD1 TYR 4 HD2 TYR 4 -3.446 -4.230 -1.261
28 HD2 TYR 4 HD1 TYR 4 -2.341 -7.933 -3.043
29 HE1 TYR 4 HE2 TYR 4 -3.306 -5.255 0.970
30 HE2 TYR 4 HE1 TYR 4 -2.199 -8.968 -0.817
31 HH TYR 4 HH TYR 4 -1.744 -7.825 1.719
32 H LYS 5 H LYS 5 -1.188 -3.288 -1.740
33 HA LYS 5 HA LYS 5 -3.215 -1.379 -1.360
34 HB2 LYS 5 2HB LYS 5 -0.444 -1.671 -0.215
35 HB3 LYS 5 3HB LYS 5 -1.507 -0.350 0.254
36 HG2 LYS 5 2HG LYS 5 -2.874 -1.692 1.462
37 HG3 LYS 5 3HG LYS 5 -2.622 -3.086 0.409
38 HD2 LYS 5 2HD LYS 5 -1.485 -3.770 2.279
39 HD3 LYS 5 3HD LYS 5 -0.183 -2.971 1.394
40 HE2 LYS 5 2HE LYS 5 -0.416 -0.990 2.721
41 HE3 LYS 5 3HE LYS 5 -1.872 -1.617 3.492
42 HZ1 LYS 5 3HZ LYS 5 -0.167 -1.963 5.028
43 HZ2 LYS 5 1HZ LYS 5 0.922 -2.513 3.856
44 HZ3 LYS 5 2HZ LYS 5 -0.387 -3.480 4.315
45 H LEU 6 H LEU 6 -0.502 -1.375 -3.417
46 HA LEU 6 HA LEU 6 -0.238 1.500 -3.561
47 HB2 LEU 6 2HB LEU 6 1.398 1.058 -5.306
48 HB3 LEU 6 3HB LEU 6 1.714 0.086 -3.870
49 HG LEU 6 HG LEU 6 0.224 -1.628 -5.386
50 HD11 LEU 6 1HD1 LEU 6 0.401 0.133 -7.228
51 HD12 LEU 6 2HD1 LEU 6 0.840 -1.524 -7.639
52 HD13 LEU 6 3HD1 LEU 6 2.100 -0.329 -7.335
53 HD21 LEU 6 3HD2 LEU 6 3.219 -1.265 -5.354
54 HD22 LEU 6 1HD2 LEU 6 2.374 -2.723 -5.876
55 HD23 LEU 6 2HD2 LEU 6 2.258 -2.191 -4.199
56 H VAL 7 H VAL 7 -2.276 -0.832 -4.905
57 HA VAL 7 HA VAL 7 -2.990 0.968 -7.128
58 HB VAL 7 HB VAL 7 -3.441 -2.013 -6.919
59 HG11 VAL 7 1HG1 VAL 7 -4.176 -1.787 -9.292
60 HG12 VAL 7 2HG1 VAL 7 -5.258 -1.022 -8.127
61 HG13 VAL 7 3HG1 VAL 7 -4.149 -0.037 -9.082
62 HG21 VAL 7 3HG2 VAL 7 -1.935 -1.707 -9.111
63 HG22 VAL 7 1HG2 VAL 7 -1.341 -0.343 -8.163
64 HG23 VAL 7 2HG2 VAL 7 -1.252 -1.978 -7.508
65 H VAL 8 H VAL 8 -4.462 -1.483 -4.990
66 HA VAL 8 HA VAL 8 -7.106 -0.526 -5.336
67 HB VAL 8 HB VAL 8 -5.985 -2.187 -3.074
68 HG11 VAL 8 1HG1 VAL 8 -8.721 -2.725 -3.696
69 HG12 VAL 8 2HG1 VAL 8 -8.016 -2.169 -2.177
70 HG13 VAL 8 3HG1 VAL 8 -8.522 -0.999 -3.396
71 HG21 VAL 8 3HG2 VAL 8 -7.249 -3.983 -4.536
72 HG22 VAL 8 1HG2 VAL 8 -6.891 -2.841 -5.831
73 HG23 VAL 8 2HG2 VAL 8 -5.578 -3.534 -4.880
74 H VAL 9 H VAL 9 -4.988 -0.356 -2.466
75 HA VAL 9 HA VAL 9 -6.643 1.592 -1.184
76 HB VAL 9 HB VAL 9 -3.793 0.892 -0.481
77 HG11 VAL 9 1HG1 VAL 9 -4.897 1.390 1.856
78 HG12 VAL 9 2HG1 VAL 9 -4.290 2.698 0.838
79 HG13 VAL 9 3HG1 VAL 9 -6.016 2.335 0.874
80 HG21 VAL 9 3HG2 VAL 9 -6.338 -0.453 0.425
81 HG22 VAL 9 1HG2 VAL 9 -5.124 -1.149 -0.649
82 HG23 VAL 9 2HG2 VAL 9 -4.716 -0.794 1.030
83 H GLY 10 H GLY 10 -3.937 1.703 -3.348
84 HA2 GLY 10 2HA GLY 10 -2.987 4.295 -2.750
85 HA3 GLY 10 3HA GLY 10 -2.761 3.446 -4.271
86 H ALA 11 H ALA 11 -5.812 3.227 -4.401
87 HA ALA 11 HA ALA 11 -6.179 5.667 -5.900
88 HB1 ALA 11 1HB ALA 11 -8.160 4.693 -6.739
89 HB2 ALA 11 2HB ALA 11 -6.983 3.384 -6.627
90 HB3 ALA 11 3HB ALA 11 -8.247 3.540 -5.407
91 H GLY 12 H GLY 12 -7.561 4.174 -2.995
92 HA2 GLY 12 2HA GLY 12 -7.948 6.376 -1.474
93 HA3 GLY 12 3HA GLY 12 -9.346 6.401 -2.539
94 H GLY 13 H GLY 13 -9.242 3.365 -2.581
95 HA2 GLY 13 2HA GLY 13 -9.490 1.807 -0.583
96 HA3 GLY 13 3HA GLY 13 -10.631 3.010 -0.002
97 H VAL 14 H VAL 14 -10.067 0.449 -2.289
98 HA VAL 14 HA VAL 14 -12.722 0.715 -3.451
99 HB VAL 14 HB VAL 14 -10.606 -1.376 -3.975
100 HG11 VAL 14 1HG1 VAL 14 -11.900 -1.830 -6.015
101 HG12 VAL 14 2HG1 VAL 14 -12.836 -2.148 -4.553
102 HG13 VAL 14 3HG1 VAL 14 -13.123 -0.677 -5.483
103 HG21 VAL 14 3HG2 VAL 14 -10.645 1.345 -4.688
104 HG22 VAL 14 1HG2 VAL 14 -9.555 0.088 -5.273
105 HG23 VAL 14 2HG2 VAL 14 -11.046 0.439 -6.147
106 H GLY 15 H GLY 15 -10.941 -1.405 -1.274
107 HA2 GLY 15 2HA GLY 15 -12.200 -2.446 0.536
108 HA3 GLY 15 3HA GLY 15 -13.501 -2.719 -0.613
109 H LYS 16 H LYS 16 -10.305 -3.247 -1.748
110 HA LYS 16 HA LYS 16 -10.830 -6.126 -1.816
111 HB2 LYS 16 2HB LYS 16 -8.610 -4.669 -3.242
112 HB3 LYS 16 3HB LYS 16 -9.267 -6.260 -3.603
113 HG2 LYS 16 2HG LYS 16 -10.779 -3.674 -3.904
114 HG3 LYS 16 3HG LYS 16 -9.958 -4.526 -5.214
115 HD2 LYS 16 2HD LYS 16 -11.980 -5.477 -5.517
116 HD3 LYS 16 3HD LYS 16 -11.465 -6.524 -4.193
117 HE2 LYS 16 2HE LYS 16 -12.827 -5.494 -2.669
118 HE3 LYS 16 3HE LYS 16 -12.789 -3.949 -3.516
119 HZ1 LYS 16 3HZ LYS 16 -14.131 -5.158 -5.297
120 HZ2 LYS 16 1HZ LYS 16 -14.929 -4.744 -3.864
121 HZ3 LYS 16 2HZ LYS 16 -14.419 -6.336 -4.118
122 H SER 17 H SER 17 -8.002 -4.006 -1.310
123 HA SER 17 HA SER 17 -6.294 -5.880 -0.222
124 HB2 SER 17 2HB SER 17 -5.324 -3.804 -0.718
125 HB3 SER 17 3HB SER 17 -6.554 -2.910 0.175
126 HG SER 17 HG SER 17 -4.662 -2.959 1.378
127 H HIS 18 H HIS 18 -8.980 -4.227 1.261
128 HA HIS 18 HA HIS 18 -8.440 -4.533 3.953
129 HB2 HIS 18 2HB HIS 18 -11.037 -4.641 2.427
130 HB3 HIS 18 3HB HIS 18 -10.982 -4.742 4.184
131 HD1 HIS 18 HD1 HIS 18 -8.577 -2.462 2.504
132 HD2 HIS 18 HD2 HIS 18 -12.298 -2.243 4.338
133 HE1 HIS 18 HE1 HIS 18 -9.002 -0.011 2.871
134 H VAL 19 H VAL 19 -9.387 -6.927 1.605
135 HA VAL 19 HA VAL 19 -10.174 -8.950 3.438
136 HB VAL 19 HB VAL 19 -9.132 -9.275 0.620
137 HG11 VAL 19 1HG1 VAL 19 -10.269 -11.136 2.619
138 HG12 VAL 19 2HG1 VAL 19 -10.827 -11.316 0.954
139 HG13 VAL 19 3HG1 VAL 19 -9.106 -11.429 1.326
140 HG21 VAL 19 3HG2 VAL 19 -11.468 -8.003 1.511
141 HG22 VAL 19 1HG2 VAL 19 -11.068 -8.489 -0.136
142 HG23 VAL 19 2HG2 VAL 19 -11.973 -9.582 0.911
143 H TRP 20 H TRP 20 -7.156 -8.390 1.635
144 HA TRP 20 HA TRP 20 -5.820 -10.449 3.210
145 HB2 TRP 20 2HB TRP 20 -4.708 -8.747 0.970
146 HB3 TRP 20 3HB TRP 20 -3.962 -10.180 1.672
147 HD1 TRP 20 HD1 TRP 20 -6.667 -9.108 -0.782
148 HE1 TRP 20 HE1 TRP 20 -7.481 -11.175 -2.082
149 HE3 TRP 20 HE3 TRP 20 -4.262 -12.745 1.888
150 HZ2 TRP 20 HZ2 TRP 20 -7.149 -13.976 -1.987
151 HZ3 TRP 20 HZ3 TRP 20 -4.564 -15.093 1.218
152 HH2 TRP 20 HH2 TRP 20 -5.978 -15.694 -0.679
Start of MODEL 9
1 H1 MET 1 H MET 1 1.627 0.009 1.177
2 HA MET 1 HA MET 1 1.332 -0.130 -1.751
3 HB2 MET 1 2HB MET 1 1.792 2.180 -0.900
4 HB3 MET 1 3HB MET 1 3.319 1.589 -0.258
5 HG2 MET 1 2HG MET 1 3.656 0.786 -2.745
6 HG3 MET 1 3HG MET 1 2.499 2.075 -3.068
7 HE1 MET 1 3HE MET 1 3.118 4.642 -3.056
8 HE2 MET 1 1HE MET 1 4.777 4.893 -3.599
9 HE3 MET 1 2HE MET 1 3.769 3.675 -4.381
10 H THR 2 H THR 2 1.766 -2.461 -0.672
11 HA THR 2 HA THR 2 4.673 -2.919 -0.872
12 HB THR 2 HB THR 2 3.716 -3.415 1.383
13 HG1 THR 2 HG1 THR 2 4.484 -5.882 0.275
14 HG21 THR 2 3HG2 THR 2 1.508 -4.196 0.668
15 HG22 THR 2 1HG2 THR 2 2.323 -5.412 1.651
16 HG23 THR 2 2HG2 THR 2 2.249 -5.600 -0.101
17 H GLU 3 H GLU 3 1.480 -3.906 -1.872
18 HA GLU 3 HA GLU 3 2.621 -5.346 -4.112
19 HB2 GLU 3 2HB GLU 3 2.529 -7.181 -2.622
20 HB3 GLU 3 3HB GLU 3 0.966 -6.688 -1.986
21 HG2 GLU 3 2HG GLU 3 -0.131 -7.312 -4.017
22 HG3 GLU 3 3HG GLU 3 1.413 -7.621 -4.810
23 H TYR 4 H TYR 4 -0.540 -5.136 -2.470
24 HA TYR 4 HA TYR 4 -1.693 -4.221 -5.020
25 HB2 TYR 4 2HB TYR 4 -3.886 -4.980 -3.843
26 HB3 TYR 4 3HB TYR 4 -2.811 -6.199 -4.518
27 HD1 TYR 4 HD2 TYR 4 -3.402 -4.385 -1.304
28 HD2 TYR 4 HD1 TYR 4 -2.272 -8.020 -3.205
29 HE1 TYR 4 HE2 TYR 4 -3.288 -5.490 0.890
30 HE2 TYR 4 HE1 TYR 4 -2.156 -9.135 -1.016
31 HH TYR 4 HH TYR 4 -2.887 -7.374 1.984
32 H LYS 5 H LYS 5 -1.142 -3.425 -1.720
33 HA LYS 5 HA LYS 5 -3.173 -1.532 -1.297
34 HB2 LYS 5 2HB LYS 5 -0.443 -1.948 -0.120
35 HB3 LYS 5 3HB LYS 5 -1.398 -0.542 0.329
36 HG2 LYS 5 2HG LYS 5 -2.895 -1.761 1.518
37 HG3 LYS 5 3HG LYS 5 -2.725 -3.183 0.486
38 HD2 LYS 5 2HD LYS 5 -1.776 -3.752 2.585
39 HD3 LYS 5 3HD LYS 5 -0.425 -3.484 1.481
40 HE2 LYS 5 2HE LYS 5 0.194 -2.371 3.444
41 HE3 LYS 5 3HE LYS 5 -0.398 -1.093 2.383
42 HZ1 LYS 5 3HZ LYS 5 -2.637 -1.725 3.645
43 HZ2 LYS 5 1HZ LYS 5 -1.560 -0.555 4.222
44 HZ3 LYS 5 2HZ LYS 5 -1.527 -2.122 4.859
45 H LEU 6 H LEU 6 -0.433 -1.450 -3.319
46 HA LEU 6 HA LEU 6 -0.179 1.428 -3.363
47 HB2 LEU 6 2HB LEU 6 1.488 1.057 -5.087
48 HB3 LEU 6 3HB LEU 6 1.780 0.020 -3.692
49 HG LEU 6 HG LEU 6 0.325 -1.632 -5.295
50 HD11 LEU 6 1HD1 LEU 6 2.195 -0.256 -7.189
51 HD12 LEU 6 2HD1 LEU 6 0.507 0.232 -7.050
52 HD13 LEU 6 3HD1 LEU 6 0.911 -1.414 -7.538
53 HD21 LEU 6 3HD2 LEU 6 2.165 -2.640 -4.455
54 HD22 LEU 6 1HD2 LEU 6 3.186 -1.222 -4.694
55 HD23 LEU 6 2HD2 LEU 6 2.816 -2.281 -6.055
56 H VAL 7 H VAL 7 -2.197 -0.859 -4.804
57 HA VAL 7 HA VAL 7 -2.878 1.002 -6.986
58 HB VAL 7 HB VAL 7 -3.343 -1.981 -6.857
59 HG11 VAL 7 1HG1 VAL 7 -5.109 -1.283 -8.143
60 HG12 VAL 7 2HG1 VAL 7 -4.254 0.141 -8.740
61 HG13 VAL 7 3HG1 VAL 7 -3.862 -1.457 -9.378
62 HG21 VAL 7 3HG2 VAL 7 -1.219 -0.291 -8.024
63 HG22 VAL 7 1HG2 VAL 7 -1.155 -1.951 -7.433
64 HG23 VAL 7 2HG2 VAL 7 -1.816 -1.610 -9.032
65 H VAL 8 H VAL 8 -4.374 -1.476 -4.899
66 HA VAL 8 HA VAL 8 -7.018 -0.553 -5.268
67 HB VAL 8 HB VAL 8 -5.915 -2.135 -2.942
68 HG11 VAL 8 1HG1 VAL 8 -8.444 -1.008 -3.320
69 HG12 VAL 8 2HG1 VAL 8 -8.630 -2.721 -3.701
70 HG13 VAL 8 3HG1 VAL 8 -7.984 -2.230 -2.135
71 HG21 VAL 8 3HG2 VAL 8 -7.062 -4.011 -4.393
72 HG22 VAL 8 1HG2 VAL 8 -6.709 -2.892 -5.709
73 HG23 VAL 8 2HG2 VAL 8 -5.400 -3.510 -4.702
74 H VAL 9 H VAL 9 -4.887 -0.257 -2.418
75 HA VAL 9 HA VAL 9 -6.599 1.711 -1.209
76 HB VAL 9 HB VAL 9 -3.789 0.983 -0.383
77 HG11 VAL 9 1HG1 VAL 9 -4.920 1.561 1.899
78 HG12 VAL 9 2HG1 VAL 9 -4.341 2.853 0.845
79 HG13 VAL 9 3HG1 VAL 9 -6.058 2.450 0.886
80 HG21 VAL 9 3HG2 VAL 9 -5.623 -0.319 1.282
81 HG22 VAL 9 1HG2 VAL 9 -6.176 -0.623 -0.366
82 HG23 VAL 9 2HG2 VAL 9 -4.532 -1.055 0.107
83 H GLY 10 H GLY 10 -3.688 1.716 -3.144
84 HA2 GLY 10 2HA GLY 10 -2.778 4.317 -2.606
85 HA3 GLY 10 3HA GLY 10 -2.478 3.422 -4.088
86 H ALA 11 H ALA 11 -5.531 3.246 -4.360
87 HA ALA 11 HA ALA 11 -5.773 5.664 -5.934
88 HB1 ALA 11 1HB ALA 11 -6.525 3.551 -6.876
89 HB2 ALA 11 2HB ALA 11 -7.693 3.367 -5.566
90 HB3 ALA 11 3HB ALA 11 -7.871 4.682 -6.728
91 H GLY 12 H GLY 12 -7.419 4.176 -3.159
92 HA2 GLY 12 2HA GLY 12 -7.912 6.489 -1.752
93 HA3 GLY 12 3HA GLY 12 -9.283 6.320 -2.838
94 H GLY 13 H GLY 13 -9.124 3.360 -2.726
95 HA2 GLY 13 2HA GLY 13 -9.257 1.830 -0.712
96 HA3 GLY 13 3HA GLY 13 -10.339 3.047 -0.053
97 H VAL 14 H VAL 14 -9.976 0.467 -2.360
98 HA VAL 14 HA VAL 14 -12.709 0.746 -3.318
99 HB VAL 14 HB VAL 14 -10.678 -1.394 -3.967
100 HG11 VAL 14 1HG1 VAL 14 -12.990 -2.072 -4.378
101 HG12 VAL 14 2HG1 VAL 14 -13.245 -0.622 -5.351
102 HG13 VAL 14 3HG1 VAL 14 -12.107 -1.858 -5.889
103 HG21 VAL 14 3HG2 VAL 14 -11.143 1.328 -5.051
104 HG22 VAL 14 1HG2 VAL 14 -9.645 0.409 -4.895
105 HG23 VAL 14 2HG2 VAL 14 -10.773 0.043 -6.201
106 H GLY 15 H GLY 15 -10.795 -1.364 -1.247
107 HA2 GLY 15 2HA GLY 15 -11.932 -2.363 0.667
108 HA3 GLY 15 3HA GLY 15 -13.314 -2.642 -0.383
109 H LYS 16 H LYS 16 -10.201 -3.217 -1.719
110 HA LYS 16 HA LYS 16 -10.771 -6.084 -1.757
111 HB2 LYS 16 2HB LYS 16 -8.561 -4.666 -3.237
112 HB3 LYS 16 3HB LYS 16 -9.259 -6.242 -3.586
113 HG2 LYS 16 2HG LYS 16 -10.688 -3.605 -3.861
114 HG3 LYS 16 3HG LYS 16 -9.977 -4.533 -5.183
115 HD2 LYS 16 2HD LYS 16 -12.054 -5.389 -5.364
116 HD3 LYS 16 3HD LYS 16 -11.537 -6.419 -4.027
117 HE2 LYS 16 2HE LYS 16 -12.804 -5.305 -2.499
118 HE3 LYS 16 3HE LYS 16 -12.662 -3.763 -3.343
119 HZ1 LYS 16 3HZ LYS 16 -14.816 -4.252 -3.796
120 HZ2 LYS 16 1HZ LYS 16 -14.587 -5.927 -3.735
121 HZ3 LYS 16 2HZ LYS 16 -14.107 -5.057 -5.104
122 H SER 17 H SER 17 -7.920 -3.993 -1.264
123 HA SER 17 HA SER 17 -6.188 -5.898 -0.270
124 HB2 SER 17 2HB SER 17 -5.224 -3.810 -0.713
125 HB3 SER 17 3HB SER 17 -6.445 -2.942 0.217
126 HG SER 17 HG SER 17 -5.425 -3.423 2.046
127 H HIS 18 H HIS 18 -8.844 -4.293 1.318
128 HA HIS 18 HA HIS 18 -8.239 -4.709 3.988
129 HB2 HIS 18 2HB HIS 18 -10.873 -4.697 2.523
130 HB3 HIS 18 3HB HIS 18 -10.779 -4.872 4.273
131 HD1 HIS 18 HD1 HIS 18 -8.619 -2.529 2.247
132 HD2 HIS 18 HD2 HIS 18 -11.777 -2.401 4.944
133 HE1 HIS 18 HE1 HIS 18 -8.914 -0.099 2.822
134 H VAL 19 H VAL 19 -9.247 -6.985 1.560
135 HA VAL 19 HA VAL 19 -10.073 -9.066 3.308
136 HB VAL 19 HB VAL 19 -9.025 -9.299 0.484
137 HG11 VAL 19 1HG1 VAL 19 -10.658 -11.183 2.179
138 HG12 VAL 19 2HG1 VAL 19 -10.350 -11.392 0.454
139 HG13 VAL 19 3HG1 VAL 19 -9.011 -11.434 1.603
140 HG21 VAL 19 3HG2 VAL 19 -10.895 -7.787 0.521
141 HG22 VAL 19 1HG2 VAL 19 -11.433 -9.334 -0.135
142 HG23 VAL 19 2HG2 VAL 19 -11.826 -8.896 1.528
143 H TRP 20 H TRP 20 -7.040 -8.495 1.532
144 HA TRP 20 HA TRP 20 -5.746 -10.566 3.155
145 HB2 TRP 20 2HB TRP 20 -4.592 -9.117 0.769
146 HB3 TRP 20 3HB TRP 20 -3.999 -10.599 1.514
147 HD1 TRP 20 HD1 TRP 20 -6.622 -9.314 -0.922
148 HE1 TRP 20 HE1 TRP 20 -7.727 -11.320 -2.097
149 HE3 TRP 20 HE3 TRP 20 -4.617 -13.096 1.872
150 HZ2 TRP 20 HZ2 TRP 20 -7.746 -14.133 -1.869
151 HZ3 TRP 20 HZ3 TRP 20 -5.230 -15.416 1.329
152 HH2 TRP 20 HH2 TRP 20 -6.763 -15.922 -0.503
Start of MODEL 10
1 H1 MET 1 H MET 1 1.707 0.042 0.920
2 HA MET 1 HA MET 1 1.345 -0.171 -1.997
3 HB2 MET 1 2HB MET 1 1.910 2.133 -1.171
4 HB3 MET 1 3HB MET 1 3.438 1.489 -0.587
5 HG2 MET 1 2HG MET 1 3.723 0.680 -3.041
6 HG3 MET 1 3HG MET 1 2.505 1.905 -3.386
7 HE1 MET 1 3HE MET 1 3.531 5.017 -2.848
8 HE2 MET 1 1HE MET 1 2.653 3.953 -1.749
9 HE3 MET 1 2HE MET 1 4.155 4.715 -1.225
10 H THR 2 H THR 2 1.724 -2.499 -0.874
11 HA THR 2 HA THR 2 4.605 -3.065 -1.150
12 HB THR 2 HB THR 2 3.699 -3.481 1.142
13 HG1 THR 2 HG1 THR 2 4.403 -5.941 -0.079
14 HG21 THR 2 3HG2 THR 2 2.246 -5.420 1.492
15 HG22 THR 2 1HG2 THR 2 2.114 -5.643 -0.252
16 HG23 THR 2 2HG2 THR 2 1.444 -4.198 0.506
17 H GLU 3 H GLU 3 1.353 -3.945 -2.046
18 HA GLU 3 HA GLU 3 2.373 -5.472 -4.285
19 HB2 GLU 3 2HB GLU 3 2.264 -7.272 -2.752
20 HB3 GLU 3 3HB GLU 3 0.735 -6.716 -2.086
21 HG2 GLU 3 2HG GLU 3 -0.464 -7.409 -3.989
22 HG3 GLU 3 3HG GLU 3 1.010 -7.633 -4.930
23 H TYR 4 H TYR 4 -0.729 -5.130 -2.556
24 HA TYR 4 HA TYR 4 -1.926 -4.221 -5.087
25 HB2 TYR 4 2HB TYR 4 -4.107 -4.881 -3.832
26 HB3 TYR 4 3HB TYR 4 -3.094 -6.150 -4.512
27 HD1 TYR 4 HD2 TYR 4 -3.525 -4.251 -1.321
28 HD2 TYR 4 HD1 TYR 4 -2.581 -7.961 -3.176
29 HE1 TYR 4 HE2 TYR 4 -3.384 -5.314 0.892
30 HE2 TYR 4 HE1 TYR 4 -2.438 -9.036 -0.968
31 HH TYR 4 HH TYR 4 -2.239 -7.328 1.898
32 H LYS 5 H LYS 5 -1.245 -3.379 -1.824
33 HA LYS 5 HA LYS 5 -3.199 -1.406 -1.385
34 HB2 LYS 5 2HB LYS 5 -0.428 -1.819 -0.280
35 HB3 LYS 5 3HB LYS 5 -1.433 -0.467 0.222
36 HG2 LYS 5 2HG LYS 5 -2.842 -1.775 1.422
37 HG3 LYS 5 3HG LYS 5 -2.644 -3.164 0.350
38 HD2 LYS 5 2HD LYS 5 -1.626 -3.720 2.432
39 HD3 LYS 5 3HD LYS 5 -0.327 -3.429 1.273
40 HE2 LYS 5 2HE LYS 5 0.356 -2.309 3.212
41 HE3 LYS 5 3HE LYS 5 -0.299 -1.039 2.179
42 HZ1 LYS 5 3HZ LYS 5 -1.209 -1.963 4.741
43 HZ2 LYS 5 1HZ LYS 5 -2.454 -1.857 3.600
44 HZ3 LYS 5 2HZ LYS 5 -1.512 -0.498 3.950
45 H LEU 6 H LEU 6 -0.522 -1.468 -3.484
46 HA LEU 6 HA LEU 6 -0.144 1.395 -3.581
47 HB2 LEU 6 2HB LEU 6 1.436 0.916 -5.373
48 HB3 LEU 6 3HB LEU 6 1.747 -0.077 -3.951
49 HG LEU 6 HG LEU 6 0.158 -1.717 -5.459
50 HD11 LEU 6 1HD1 LEU 6 0.418 0.055 -7.288
51 HD12 LEU 6 2HD1 LEU 6 0.754 -1.623 -7.714
52 HD13 LEU 6 3HD1 LEU 6 2.085 -0.507 -7.412
53 HD21 LEU 6 3HD2 LEU 6 2.055 -2.569 -4.385
54 HD22 LEU 6 1HD2 LEU 6 3.136 -1.443 -5.205
55 HD23 LEU 6 2HD2 LEU 6 2.397 -2.768 -6.104
56 H VAL 7 H VAL 7 -2.290 -0.835 -4.940
57 HA VAL 7 HA VAL 7 -2.975 1.041 -7.109
58 HB VAL 7 HB VAL 7 -3.532 -1.926 -6.966
59 HG11 VAL 7 1HG1 VAL 7 -3.971 -1.177 -9.543
60 HG12 VAL 7 2HG1 VAL 7 -5.232 -1.373 -8.325
61 HG13 VAL 7 3HG1 VAL 7 -4.572 0.228 -8.663
62 HG21 VAL 7 3HG2 VAL 7 -2.033 -1.586 -9.177
63 HG22 VAL 7 1HG2 VAL 7 -1.362 -0.318 -8.150
64 HG23 VAL 7 2HG2 VAL 7 -1.363 -1.993 -7.597
65 H VAL 8 H VAL 8 -4.502 -1.418 -5.018
66 HA VAL 8 HA VAL 8 -7.114 -0.360 -5.295
67 HB VAL 8 HB VAL 8 -6.008 -2.134 -3.113
68 HG11 VAL 8 1HG1 VAL 8 -8.772 -2.559 -3.631
69 HG12 VAL 8 2HG1 VAL 8 -7.999 -2.017 -2.140
70 HG13 VAL 8 3HG1 VAL 8 -8.517 -0.838 -3.345
71 HG21 VAL 8 3HG2 VAL 8 -5.806 -2.987 -5.466
72 HG22 VAL 8 1HG2 VAL 8 -6.781 -3.989 -4.391
73 HG23 VAL 8 2HG2 VAL 8 -7.566 -2.933 -5.565
74 H VAL 9 H VAL 9 -4.951 -0.347 -2.453
75 HA VAL 9 HA VAL 9 -6.517 1.614 -1.086
76 HB VAL 9 HB VAL 9 -3.676 0.812 -0.460
77 HG11 VAL 9 1HG1 VAL 9 -4.063 2.556 0.952
78 HG12 VAL 9 2HG1 VAL 9 -5.811 2.315 0.950
79 HG13 VAL 9 3HG1 VAL 9 -4.776 1.260 1.913
80 HG21 VAL 9 3HG2 VAL 9 -5.074 -1.185 -0.665
81 HG22 VAL 9 1HG2 VAL 9 -4.616 -0.894 1.013
82 HG23 VAL 9 2HG2 VAL 9 -6.240 -0.488 0.459
83 H GLY 10 H GLY 10 -3.863 1.710 -3.310
84 HA2 GLY 10 2HA GLY 10 -2.773 4.221 -2.667
85 HA3 GLY 10 3HA GLY 10 -2.691 3.448 -4.243
86 H ALA 11 H ALA 11 -5.771 3.403 -4.115
87 HA ALA 11 HA ALA 11 -6.086 6.015 -5.367
88 HB1 ALA 11 1HB ALA 11 -7.192 3.429 -5.794
89 HB2 ALA 11 2HB ALA 11 -8.508 4.551 -5.444
90 HB3 ALA 11 3HB ALA 11 -7.388 4.889 -6.764
91 H GLY 12 H GLY 12 -7.283 4.172 -2.617
92 HA2 GLY 12 2HA GLY 12 -7.757 6.129 -0.852
93 HA3 GLY 12 3HA GLY 12 -9.173 6.253 -1.885
94 H GLY 13 H GLY 13 -8.967 3.241 -2.309
95 HA2 GLY 13 2HA GLY 13 -9.156 1.424 -0.557
96 HA3 GLY 13 3HA GLY 13 -10.281 2.517 0.236
97 H VAL 14 H VAL 14 -9.807 0.273 -2.367
98 HA VAL 14 HA VAL 14 -12.467 0.700 -3.451
99 HB VAL 14 HB VAL 14 -10.495 -1.464 -4.186
100 HG11 VAL 14 1HG1 VAL 14 -12.581 -2.069 -5.044
101 HG12 VAL 14 2HG1 VAL 14 -13.009 -0.401 -5.431
102 HG13 VAL 14 3HG1 VAL 14 -11.791 -1.246 -6.388
103 HG21 VAL 14 3HG2 VAL 14 -9.822 -0.001 -6.040
104 HG22 VAL 14 1HG2 VAL 14 -10.842 1.281 -5.388
105 HG23 VAL 14 2HG2 VAL 14 -9.447 0.713 -4.472
106 H GLY 15 H GLY 15 -10.799 -1.515 -1.328
107 HA2 GLY 15 2HA GLY 15 -12.206 -2.633 0.344
108 HA3 GLY 15 3HA GLY 15 -13.349 -2.960 -0.950
109 H LYS 16 H LYS 16 -9.983 -3.272 -1.638
110 HA LYS 16 HA LYS 16 -10.331 -6.178 -1.832
111 HB2 LYS 16 2HB LYS 16 -8.160 -4.436 -3.014
112 HB3 LYS 16 3HB LYS 16 -8.420 -6.145 -3.341
113 HG2 LYS 16 2HG LYS 16 -10.528 -4.097 -3.928
114 HG3 LYS 16 3HG LYS 16 -9.234 -4.458 -5.073
115 HD2 LYS 16 2HD LYS 16 -10.706 -5.998 -5.826
116 HD3 LYS 16 3HD LYS 16 -10.061 -6.956 -4.491
117 HE2 LYS 16 2HE LYS 16 -12.292 -7.156 -4.059
118 HE3 LYS 16 3HE LYS 16 -11.949 -5.689 -3.144
119 HZ1 LYS 16 3HZ LYS 16 -13.479 -4.672 -4.355
120 HZ2 LYS 16 1HZ LYS 16 -13.705 -6.041 -5.324
121 HZ3 LYS 16 2HZ LYS 16 -12.529 -4.897 -5.737
122 H SER 17 H SER 17 -7.632 -3.967 -1.071
123 HA SER 17 HA SER 17 -6.026 -5.778 0.254
124 HB2 SER 17 2HB SER 17 -5.126 -3.636 -0.291
125 HB3 SER 17 3HB SER 17 -6.361 -2.802 0.652
126 HG SER 17 HG SER 17 -5.326 -3.278 2.467
127 H HIS 18 H HIS 18 -8.865 -4.108 1.393
128 HA HIS 18 HA HIS 18 -8.592 -4.322 4.139
129 HB2 HIS 18 2HB HIS 18 -11.038 -4.504 2.382
130 HB3 HIS 18 3HB HIS 18 -11.133 -4.495 4.140
131 HD1 HIS 18 HD1 HIS 18 -8.513 -2.323 2.750
132 HD2 HIS 18 HD2 HIS 18 -12.517 -1.992 3.807
133 HE1 HIS 18 HE1 HIS 18 -8.974 0.146 2.871
134 H VAL 19 H VAL 19 -9.263 -6.790 1.781
135 HA VAL 19 HA VAL 19 -10.147 -8.749 3.693
136 HB VAL 19 HB VAL 19 -9.260 -9.107 0.827
137 HG11 VAL 19 1HG1 VAL 19 -10.699 -11.220 1.097
138 HG12 VAL 19 2HG1 VAL 19 -9.076 -11.224 1.789
139 HG13 VAL 19 3HG1 VAL 19 -10.479 -10.976 2.829
140 HG21 VAL 19 3HG2 VAL 19 -11.532 -7.843 1.825
141 HG22 VAL 19 1HG2 VAL 19 -11.275 -8.419 0.178
142 HG23 VAL 19 2HG2 VAL 19 -12.078 -9.454 1.359
143 H TRP 20 H TRP 20 -7.235 -8.409 1.662
144 HA TRP 20 HA TRP 20 -5.858 -10.386 3.304
145 HB2 TRP 20 2HB TRP 20 -4.812 -8.902 0.886
146 HB3 TRP 20 3HB TRP 20 -4.130 -10.350 1.622
147 HD1 TRP 20 HD1 TRP 20 -6.900 -9.203 -0.723
148 HE1 TRP 20 HE1 TRP 20 -7.948 -11.267 -1.847
149 HE3 TRP 20 HE3 TRP 20 -4.608 -12.868 2.008
150 HZ2 TRP 20 HZ2 TRP 20 -7.822 -14.077 -1.609
151 HZ3 TRP 20 HZ3 TRP 20 -5.127 -15.219 1.497
152 HH2 TRP 20 HH2 TRP 20 -6.701 -15.808 -0.274
Start of MODEL 11
1 H1 MET 1 H MET 1 1.654 0.036 1.100
2 HA MET 1 HA MET 1 1.288 -0.081 -1.820
3 HB2 MET 1 2HB MET 1 1.808 2.220 -0.988
4 HB3 MET 1 3HB MET 1 3.333 1.603 -0.366
5 HG2 MET 1 2HG MET 1 3.628 0.790 -2.851
6 HG3 MET 1 3HG MET 1 2.479 2.088 -3.167
7 HE1 MET 1 3HE MET 1 6.102 3.410 -4.158
8 HE2 MET 1 1HE MET 1 5.255 1.886 -4.429
9 HE3 MET 1 2HE MET 1 4.432 3.418 -4.726
10 H THR 2 H THR 2 1.701 -2.423 -0.776
11 HA THR 2 HA THR 2 4.594 -2.933 -1.032
12 HB THR 2 HB THR 2 3.671 -3.422 1.240
13 HG1 THR 2 HG1 THR 2 5.367 -4.690 1.017
14 HG21 THR 2 3HG2 THR 2 2.145 -5.577 -0.226
15 HG22 THR 2 1HG2 THR 2 1.438 -4.168 0.561
16 HG23 THR 2 2HG2 THR 2 2.254 -5.399 1.525
17 H GLU 3 H GLU 3 1.360 -3.871 -1.956
18 HA GLU 3 HA GLU 3 2.427 -5.315 -4.232
19 HB2 GLU 3 2HB GLU 3 2.338 -7.153 -2.743
20 HB3 GLU 3 3HB GLU 3 0.794 -6.640 -2.077
21 HG2 GLU 3 2HG GLU 3 -0.370 -7.288 -4.030
22 HG3 GLU 3 3HG GLU 3 1.129 -7.508 -4.932
23 H TYR 4 H TYR 4 -0.695 -5.075 -2.522
24 HA TYR 4 HA TYR 4 -1.890 -4.127 -5.040
25 HB2 TYR 4 2HB TYR 4 -4.068 -4.851 -3.816
26 HB3 TYR 4 3HB TYR 4 -3.028 -6.089 -4.513
27 HD1 TYR 4 HD2 TYR 4 -3.511 -4.261 -1.288
28 HD2 TYR 4 HD1 TYR 4 -2.499 -7.919 -3.210
29 HE1 TYR 4 HE2 TYR 4 -3.369 -5.367 0.905
30 HE2 TYR 4 HE1 TYR 4 -2.355 -9.035 -1.023
31 HH TYR 4 HH TYR 4 -2.582 -7.237 1.976
32 H LYS 5 H LYS 5 -1.241 -3.342 -1.758
33 HA LYS 5 HA LYS 5 -3.231 -1.420 -1.276
34 HB2 LYS 5 2HB LYS 5 -0.452 -1.814 -0.192
35 HB3 LYS 5 3HB LYS 5 -1.452 -0.462 0.324
36 HG2 LYS 5 2HG LYS 5 -2.844 -1.772 1.536
37 HG3 LYS 5 3HG LYS 5 -2.677 -3.150 0.446
38 HD2 LYS 5 2HD LYS 5 -1.605 -3.814 2.428
39 HD3 LYS 5 3HD LYS 5 -0.295 -3.352 1.339
40 HE2 LYS 5 2HE LYS 5 0.285 -2.345 3.358
41 HE3 LYS 5 3HE LYS 5 -0.469 -1.039 2.445
42 HZ1 LYS 5 3HZ LYS 5 -1.141 -1.801 4.959
43 HZ2 LYS 5 1HZ LYS 5 -2.340 -2.539 4.020
44 HZ3 LYS 5 2HZ LYS 5 -2.103 -0.867 3.928
45 H LEU 6 H LEU 6 -0.548 -1.376 -3.376
46 HA LEU 6 HA LEU 6 -0.284 1.506 -3.437
47 HB2 LEU 6 2HB LEU 6 1.370 1.122 -5.169
48 HB3 LEU 6 3HB LEU 6 1.673 0.092 -3.772
49 HG LEU 6 HG LEU 6 0.199 -1.561 -5.363
50 HD11 LEU 6 1HD1 LEU 6 0.209 0.076 -7.190
51 HD12 LEU 6 2HD1 LEU 6 1.075 -1.399 -7.618
52 HD13 LEU 6 3HD1 LEU 6 1.973 0.056 -7.187
53 HD21 LEU 6 3HD2 LEU 6 2.061 -2.504 -4.433
54 HD22 LEU 6 1HD2 LEU 6 3.104 -1.151 -4.874
55 HD23 LEU 6 2HD2 LEU 6 2.616 -2.323 -6.098
56 H VAL 7 H VAL 7 -2.356 -0.762 -4.790
57 HA VAL 7 HA VAL 7 -3.037 1.056 -7.009
58 HB VAL 7 HB VAL 7 -3.692 -1.886 -6.854
59 HG11 VAL 7 1HG1 VAL 7 -4.277 0.296 -8.748
60 HG12 VAL 7 2HG1 VAL 7 -3.776 -1.237 -9.465
61 HG13 VAL 7 3HG1 VAL 7 -5.179 -1.178 -8.398
62 HG21 VAL 7 3HG2 VAL 7 -1.456 -0.509 -8.339
63 HG22 VAL 7 1HG2 VAL 7 -1.283 -1.613 -6.974
64 HG23 VAL 7 2HG2 VAL 7 -1.906 -2.205 -8.515
65 H VAL 8 H VAL 8 -4.531 -1.362 -4.851
66 HA VAL 8 HA VAL 8 -7.165 -0.375 -5.195
67 HB VAL 8 HB VAL 8 -6.038 -2.059 -2.953
68 HG11 VAL 8 1HG1 VAL 8 -8.025 -1.896 -1.978
69 HG12 VAL 8 2HG1 VAL 8 -8.591 -0.831 -3.267
70 HG13 VAL 8 3HG1 VAL 8 -8.777 -2.579 -3.419
71 HG21 VAL 8 3HG2 VAL 8 -7.653 -3.044 -5.282
72 HG22 VAL 8 1HG2 VAL 8 -5.898 -2.897 -5.376
73 HG23 VAL 8 2HG2 VAL 8 -6.631 -3.961 -4.175
74 H VAL 9 H VAL 9 -5.041 -0.229 -2.328
75 HA VAL 9 HA VAL 9 -6.661 1.745 -1.046
76 HB VAL 9 HB VAL 9 -3.816 0.999 -0.365
77 HG11 VAL 9 1HG1 VAL 9 -4.361 2.913 0.852
78 HG12 VAL 9 2HG1 VAL 9 -6.031 2.396 1.098
79 HG13 VAL 9 3HG1 VAL 9 -4.721 1.593 1.964
80 HG21 VAL 9 3HG2 VAL 9 -6.190 -0.602 -0.273
81 HG22 VAL 9 1HG2 VAL 9 -4.541 -1.028 0.182
82 HG23 VAL 9 2HG2 VAL 9 -5.620 -0.291 1.367
83 H GLY 10 H GLY 10 -3.794 1.801 -3.062
84 HA2 GLY 10 2HA GLY 10 -2.838 4.359 -2.539
85 HA3 GLY 10 3HA GLY 10 -2.695 3.537 -4.085
86 H ALA 11 H ALA 11 -5.710 3.398 -4.217
87 HA ALA 11 HA ALA 11 -6.052 5.963 -5.521
88 HB1 ALA 11 1HB ALA 11 -7.676 3.443 -5.419
89 HB2 ALA 11 2HB ALA 11 -8.322 4.931 -6.112
90 HB3 ALA 11 3HB ALA 11 -6.877 4.192 -6.801
91 H GLY 12 H GLY 12 -7.421 4.195 -2.781
92 HA2 GLY 12 2HA GLY 12 -7.933 6.272 -1.118
93 HA3 GLY 12 3HA GLY 12 -9.329 6.280 -2.186
94 H GLY 13 H GLY 13 -9.089 3.280 -2.439
95 HA2 GLY 13 2HA GLY 13 -9.241 1.544 -0.604
96 HA3 GLY 13 3HA GLY 13 -10.374 2.658 0.146
97 H VAL 14 H VAL 14 -9.897 0.277 -2.322
98 HA VAL 14 HA VAL 14 -12.580 0.623 -3.396
99 HB VAL 14 HB VAL 14 -10.528 -1.479 -4.097
100 HG11 VAL 14 1HG1 VAL 14 -12.501 -2.319 -4.923
101 HG12 VAL 14 2HG1 VAL 14 -13.198 -0.719 -5.187
102 HG13 VAL 14 3HG1 VAL 14 -11.963 -1.336 -6.284
103 HG21 VAL 14 3HG2 VAL 14 -9.918 -0.100 -5.978
104 HG22 VAL 14 1HG2 VAL 14 -11.122 1.108 -5.528
105 HG23 VAL 14 2HG2 VAL 14 -9.721 0.831 -4.493
106 H GLY 15 H GLY 15 -10.800 -1.513 -1.272
107 HA2 GLY 15 2HA GLY 15 -12.115 -2.621 0.475
108 HA3 GLY 15 3HA GLY 15 -13.317 -2.973 -0.759
109 H LYS 16 H LYS 16 -10.019 -3.281 -1.670
110 HA LYS 16 HA LYS 16 -10.356 -6.181 -1.828
111 HB2 LYS 16 2HB LYS 16 -8.182 -4.444 -3.012
112 HB3 LYS 16 3HB LYS 16 -8.469 -6.144 -3.362
113 HG2 LYS 16 2HG LYS 16 -10.571 -4.076 -3.886
114 HG3 LYS 16 3HG LYS 16 -9.283 -4.397 -5.048
115 HD2 LYS 16 2HD LYS 16 -10.703 -5.949 -5.844
116 HD3 LYS 16 3HD LYS 16 -10.124 -6.918 -4.487
117 HE2 LYS 16 2HE LYS 16 -12.387 -7.083 -4.175
118 HE3 LYS 16 3HE LYS 16 -12.037 -5.659 -3.197
119 HZ1 LYS 16 3HZ LYS 16 -12.511 -4.470 -5.480
120 HZ2 LYS 16 1HZ LYS 16 -13.764 -4.876 -4.419
121 HZ3 LYS 16 2HZ LYS 16 -13.436 -5.859 -5.756
122 H SER 17 H SER 17 -7.659 -3.975 -1.044
123 HA SER 17 HA SER 17 -6.026 -5.803 0.223
124 HB2 SER 17 2HB SER 17 -5.109 -3.671 -0.241
125 HB3 SER 17 3HB SER 17 -6.389 -2.838 0.641
126 HG SER 17 HG SER 17 -4.833 -4.648 2.072
127 H HIS 18 H HIS 18 -8.873 -4.190 1.427
128 HA HIS 18 HA HIS 18 -8.573 -4.488 4.164
129 HB2 HIS 18 2HB HIS 18 -11.033 -4.611 2.421
130 HB3 HIS 18 3HB HIS 18 -11.116 -4.664 4.180
131 HD1 HIS 18 HD1 HIS 18 -9.755 -2.377 1.464
132 HD2 HIS 18 HD2 HIS 18 -11.250 -2.218 5.337
133 HE1 HIS 18 HE1 HIS 18 -9.899 0.069 2.028
134 H VAL 19 H VAL 19 -9.237 -6.880 1.734
135 HA VAL 19 HA VAL 19 -10.125 -8.901 3.578
136 HB VAL 19 HB VAL 19 -9.204 -9.187 0.714
137 HG11 VAL 19 1HG1 VAL 19 -9.816 -11.130 2.709
138 HG12 VAL 19 2HG1 VAL 19 -11.062 -11.181 1.460
139 HG13 VAL 19 3HG1 VAL 19 -9.365 -11.379 1.022
140 HG21 VAL 19 3HG2 VAL 19 -11.512 -9.110 0.089
141 HG22 VAL 19 1HG2 VAL 19 -12.021 -9.059 1.776
142 HG23 VAL 19 2HG2 VAL 19 -11.171 -7.685 1.070
143 H TRP 20 H TRP 20 -7.189 -8.447 1.608
144 HA TRP 20 HA TRP 20 -5.817 -10.460 3.223
145 HB2 TRP 20 2HB TRP 20 -4.733 -8.993 0.816
146 HB3 TRP 20 3HB TRP 20 -4.130 -10.488 1.528
147 HD1 TRP 20 HD1 TRP 20 -6.820 -9.156 -0.811
148 HE1 TRP 20 HE1 TRP 20 -7.965 -11.140 -1.984
149 HE3 TRP 20 HE3 TRP 20 -4.740 -12.986 1.860
150 HZ2 TRP 20 HZ2 TRP 20 -7.984 -13.957 -1.800
151 HZ3 TRP 20 HZ3 TRP 20 -5.374 -15.296 1.300
152 HH2 TRP 20 HH2 TRP 20 -6.963 -15.769 -0.493
Start of MODEL 12
1 H1 MET 1 H MET 1 1.655 0.196 1.001
2 HA MET 1 HA MET 1 1.169 -0.065 -1.894
3 HB2 MET 1 2HB MET 1 1.726 2.246 -1.090
4 HB3 MET 1 3HB MET 1 3.291 1.632 -0.573
5 HG2 MET 1 2HG MET 1 3.418 0.814 -3.070
6 HG3 MET 1 3HG MET 1 2.247 2.109 -3.310
7 HE1 MET 1 3HE MET 1 5.223 1.129 -3.964
8 HE2 MET 1 1HE MET 1 5.946 2.659 -4.461
9 HE3 MET 1 2HE MET 1 6.482 1.872 -2.977
10 H THR 2 H THR 2 1.657 -2.383 -0.742
11 HA THR 2 HA THR 2 4.527 -2.894 -1.186
12 HB THR 2 HB THR 2 3.761 -3.317 1.152
13 HG1 THR 2 HG1 THR 2 4.406 -5.800 -0.034
14 HG21 THR 2 3HG2 THR 2 1.477 -4.078 0.590
15 HG22 THR 2 1HG2 THR 2 2.334 -5.224 1.620
16 HG23 THR 2 2HG2 THR 2 2.159 -5.548 -0.105
17 H GLU 3 H GLU 3 1.254 -3.818 -1.928
18 HA GLU 3 HA GLU 3 2.185 -5.346 -4.202
19 HB2 GLU 3 2HB GLU 3 2.187 -7.142 -2.659
20 HB3 GLU 3 3HB GLU 3 0.685 -6.609 -1.917
21 HG2 GLU 3 2HG GLU 3 0.307 -8.574 -3.264
22 HG3 GLU 3 3HG GLU 3 -0.528 -7.186 -3.959
23 H TYR 4 H TYR 4 -0.841 -5.093 -2.329
24 HA TYR 4 HA TYR 4 -2.184 -4.221 -4.798
25 HB2 TYR 4 2HB TYR 4 -4.282 -4.884 -3.412
26 HB3 TYR 4 3HB TYR 4 -3.288 -6.154 -4.117
27 HD1 TYR 4 HD2 TYR 4 -3.570 -4.187 -0.950
28 HD2 TYR 4 HD1 TYR 4 -2.680 -7.928 -2.770
29 HE1 TYR 4 HE2 TYR 4 -3.294 -5.197 1.275
30 HE2 TYR 4 HE1 TYR 4 -2.403 -8.949 -0.550
31 HH TYR 4 HH TYR 4 -1.759 -7.952 1.867
32 H LYS 5 H LYS 5 -1.329 -3.301 -1.598
33 HA LYS 5 HA LYS 5 -3.290 -1.321 -1.135
34 HB2 LYS 5 2HB LYS 5 -0.524 -1.792 -0.050
35 HB3 LYS 5 3HB LYS 5 -1.459 -0.378 0.422
36 HG2 LYS 5 2HG LYS 5 -2.901 -1.580 1.686
37 HG3 LYS 5 3HG LYS 5 -2.806 -3.001 0.643
38 HD2 LYS 5 2HD LYS 5 -0.979 -3.839 1.722
39 HD3 LYS 5 3HD LYS 5 -0.368 -2.242 2.158
40 HE2 LYS 5 2HE LYS 5 -2.863 -3.376 3.386
41 HE3 LYS 5 3HE LYS 5 -1.264 -3.735 4.036
42 HZ1 LYS 5 3HZ LYS 5 -1.065 -1.131 3.926
43 HZ2 LYS 5 1HZ LYS 5 -1.786 -1.902 5.249
44 HZ3 LYS 5 2HZ LYS 5 -2.751 -1.216 4.041
45 H LEU 6 H LEU 6 -0.703 -1.446 -3.314
46 HA LEU 6 HA LEU 6 -0.253 1.410 -3.428
47 HB2 LEU 6 2HB LEU 6 1.244 0.873 -5.292
48 HB3 LEU 6 3HB LEU 6 1.604 -0.071 -3.848
49 HG LEU 6 HG LEU 6 -0.087 -1.716 -5.283
50 HD11 LEU 6 1HD1 LEU 6 0.599 -1.751 -7.532
51 HD12 LEU 6 2HD1 LEU 6 1.907 -0.606 -7.236
52 HD13 LEU 6 3HD1 LEU 6 0.231 -0.062 -7.180
53 HD21 LEU 6 3HD2 LEU 6 1.914 -3.048 -5.663
54 HD22 LEU 6 1HD2 LEU 6 1.919 -2.364 -4.038
55 HD23 LEU 6 2HD2 LEU 6 2.929 -1.653 -5.296
56 H VAL 7 H VAL 7 -2.370 -0.876 -4.846
57 HA VAL 7 HA VAL 7 -3.122 1.040 -6.953
58 HB VAL 7 HB VAL 7 -3.701 -1.921 -6.791
59 HG11 VAL 7 1HG1 VAL 7 -4.547 -1.640 -9.096
60 HG12 VAL 7 2HG1 VAL 7 -5.507 -0.763 -7.903
61 HG13 VAL 7 3HG1 VAL 7 -4.361 0.105 -8.925
62 HG21 VAL 7 3HG2 VAL 7 -1.531 -1.964 -7.454
63 HG22 VAL 7 1HG2 VAL 7 -2.261 -1.640 -9.026
64 HG23 VAL 7 2HG2 VAL 7 -1.575 -0.317 -8.083
65 H VAL 8 H VAL 8 -4.629 -1.391 -4.816
66 HA VAL 8 HA VAL 8 -7.247 -0.406 -5.056
67 HB VAL 8 HB VAL 8 -6.043 -1.923 -2.737
68 HG11 VAL 8 1HG1 VAL 8 -8.590 -0.751 -3.042
69 HG12 VAL 8 2HG1 VAL 8 -8.800 -2.494 -3.219
70 HG13 VAL 8 3HG1 VAL 8 -8.038 -1.839 -1.769
71 HG21 VAL 8 3HG2 VAL 8 -6.734 -3.926 -3.825
72 HG22 VAL 8 1HG2 VAL 8 -7.573 -3.024 -5.086
73 HG23 VAL 8 2HG2 VAL 8 -5.812 -2.989 -5.000
74 H VAL 9 H VAL 9 -4.887 0.050 -2.422
75 HA VAL 9 HA VAL 9 -6.531 2.145 -1.260
76 HB VAL 9 HB VAL 9 -3.810 1.216 -0.343
77 HG11 VAL 9 1HG1 VAL 9 -6.017 2.803 0.947
78 HG12 VAL 9 2HG1 VAL 9 -4.700 2.066 1.863
79 HG13 VAL 9 3HG1 VAL 9 -4.351 3.297 0.648
80 HG21 VAL 9 3HG2 VAL 9 -4.965 -0.253 1.216
81 HG22 VAL 9 1HG2 VAL 9 -6.521 0.230 0.541
82 HG23 VAL 9 2HG2 VAL 9 -5.374 -0.674 -0.447
83 H GLY 10 H GLY 10 -3.702 1.815 -3.244
84 HA2 GLY 10 2HA GLY 10 -2.583 4.382 -2.781
85 HA3 GLY 10 3HA GLY 10 -2.268 3.354 -4.171
86 H ALA 11 H ALA 11 -5.312 3.345 -4.591
87 HA ALA 11 HA ALA 11 -5.320 5.705 -6.294
88 HB1 ALA 11 1HB ALA 11 -6.995 3.233 -6.127
89 HB2 ALA 11 2HB ALA 11 -7.580 4.648 -7.004
90 HB3 ALA 11 3HB ALA 11 -6.072 3.871 -7.487
91 H GLY 12 H GLY 12 -7.088 4.368 -3.545
92 HA2 GLY 12 2HA GLY 12 -7.776 6.807 -2.424
93 HA3 GLY 12 3HA GLY 12 -9.107 6.368 -3.483
94 H GLY 13 H GLY 13 -8.955 3.542 -3.080
95 HA2 GLY 13 2HA GLY 13 -8.921 2.158 -0.958
96 HA3 GLY 13 3HA GLY 13 -9.943 3.427 -0.300
97 H VAL 14 H VAL 14 -9.772 0.721 -2.498
98 HA VAL 14 HA VAL 14 -12.566 0.945 -3.245
99 HB VAL 14 HB VAL 14 -10.660 -1.319 -3.840
100 HG11 VAL 14 1HG1 VAL 14 -12.771 -2.131 -4.311
101 HG12 VAL 14 2HG1 VAL 14 -13.383 -0.551 -4.803
102 HG13 VAL 14 3HG1 VAL 14 -12.291 -1.444 -5.862
103 HG21 VAL 14 3HG2 VAL 14 -9.545 0.321 -4.944
104 HG22 VAL 14 1HG2 VAL 14 -10.783 0.002 -6.159
105 HG23 VAL 14 2HG2 VAL 14 -10.963 1.364 -5.054
106 H GLY 15 H GLY 15 -10.531 -1.057 -1.173
107 HA2 GLY 15 2HA GLY 15 -11.489 -1.899 0.893
108 HA3 GLY 15 3HA GLY 15 -12.996 -2.151 0.025
109 H LYS 16 H LYS 16 -9.995 -2.991 -1.487
110 HA LYS 16 HA LYS 16 -10.798 -5.791 -1.478
111 HB2 LYS 16 2HB LYS 16 -8.479 -4.485 -2.912
112 HB3 LYS 16 3HB LYS 16 -9.120 -6.097 -3.201
113 HG2 LYS 16 2HG LYS 16 -10.521 -3.487 -3.732
114 HG3 LYS 16 3HG LYS 16 -9.861 -4.599 -4.933
115 HD2 LYS 16 2HD LYS 16 -12.103 -5.213 -3.007
116 HD3 LYS 16 3HD LYS 16 -12.292 -4.832 -4.720
117 HE2 LYS 16 2HE LYS 16 -10.728 -6.816 -5.138
118 HE3 LYS 16 3HE LYS 16 -11.044 -7.256 -3.461
119 HZ1 LYS 16 3HZ LYS 16 -13.493 -7.068 -4.145
120 HZ2 LYS 16 1HZ LYS 16 -12.628 -8.434 -4.641
121 HZ3 LYS 16 2HZ LYS 16 -12.922 -7.177 -5.733
122 H SER 17 H SER 17 -7.909 -3.864 -0.694
123 HA SER 17 HA SER 17 -6.270 -5.877 0.244
124 HB2 SER 17 2HB SER 17 -5.258 -3.773 0.060
125 HB3 SER 17 3HB SER 17 -6.534 -2.973 0.976
126 HG SER 17 HG SER 17 -5.484 -3.388 2.743
127 H HIS 18 H HIS 18 -9.018 -4.377 1.779
128 HA HIS 18 HA HIS 18 -8.605 -5.051 4.436
129 HB2 HIS 18 2HB HIS 18 -11.216 -5.019 2.908
130 HB3 HIS 18 3HB HIS 18 -11.066 -5.002 4.662
131 HD1 HIS 18 HD1 HIS 18 -8.489 -2.907 4.178
132 HD2 HIS 18 HD2 HIS 18 -12.510 -2.469 3.229
133 HE1 HIS 18 HE1 HIS 18 -8.877 -0.427 4.021
134 H VAL 19 H VAL 19 -9.488 -7.060 1.739
135 HA VAL 19 HA VAL 19 -10.473 -9.273 3.225
136 HB VAL 19 HB VAL 19 -9.276 -9.222 0.451
137 HG11 VAL 19 1HG1 VAL 19 -10.394 -11.365 2.116
138 HG12 VAL 19 2HG1 VAL 19 -11.052 -11.276 0.481
139 HG13 VAL 19 3HG1 VAL 19 -9.314 -11.452 0.725
140 HG21 VAL 19 3HG2 VAL 19 -12.101 -9.562 0.475
141 HG22 VAL 19 1HG2 VAL 19 -11.699 -8.146 1.446
142 HG23 VAL 19 2HG2 VAL 19 -11.154 -8.251 -0.228
143 H TRP 20 H TRP 20 -7.340 -8.699 1.621
144 HA TRP 20 HA TRP 20 -6.157 -11.038 2.780
145 HB2 TRP 20 2HB TRP 20 -4.912 -8.697 1.322
146 HB3 TRP 20 3HB TRP 20 -4.054 -10.165 1.780
147 HD1 TRP 20 HD1 TRP 20 -6.699 -8.891 -0.680
148 HE1 TRP 20 HE1 TRP 20 -6.954 -10.614 -2.574
149 HE3 TRP 20 HE3 TRP 20 -3.776 -12.628 1.224
150 HZ2 TRP 20 HZ2 TRP 20 -6.038 -13.215 -3.181
151 HZ3 TRP 20 HZ3 TRP 20 -3.518 -14.701 -0.075
152 HH2 TRP 20 HH2 TRP 20 -4.627 -14.987 -2.232
Start of MODEL 13
1 H1 MET 1 H MET 1 0.745 0.247 -0.729
2 HA MET 1 HA MET 1 2.902 0.426 -2.533
3 HB2 MET 1 2HB MET 1 2.250 1.833 -0.383
4 HB3 MET 1 3HB MET 1 3.368 0.722 0.399
5 HG2 MET 1 2HG MET 1 4.863 2.305 -0.154
6 HG3 MET 1 3HG MET 1 4.869 1.440 -1.689
7 HE1 MET 1 3HE MET 1 5.081 4.281 -3.678
8 HE2 MET 1 1HE MET 1 5.679 4.888 -2.134
9 HE3 MET 1 2HE MET 1 5.982 3.214 -2.600
10 H THR 2 H THR 2 1.841 -2.235 -0.984
11 HA THR 2 HA THR 2 4.544 -3.374 -0.698
12 HB THR 2 HB THR 2 3.222 -3.376 1.398
13 HG1 THR 2 HG1 THR 2 4.241 -5.180 1.803
14 HG21 THR 2 3HG2 THR 2 1.378 -5.211 -0.138
15 HG22 THR 2 1HG2 THR 2 0.987 -3.592 0.440
16 HG23 THR 2 2HG2 THR 2 1.295 -4.890 1.593
17 H GLU 3 H GLU 3 1.429 -3.679 -2.209
18 HA GLU 3 HA GLU 3 2.414 -5.381 -4.239
19 HB2 GLU 3 2HB GLU 3 2.319 -7.182 -2.708
20 HB3 GLU 3 3HB GLU 3 0.780 -6.646 -2.050
21 HG2 GLU 3 2HG GLU 3 -0.333 -7.233 -4.131
22 HG3 GLU 3 3HG GLU 3 1.208 -7.737 -4.823
23 H TYR 4 H TYR 4 -0.714 -5.095 -2.547
24 HA TYR 4 HA TYR 4 -1.896 -4.203 -5.091
25 HB2 TYR 4 2HB TYR 4 -4.080 -4.912 -3.869
26 HB3 TYR 4 3HB TYR 4 -3.032 -6.158 -4.538
27 HD1 TYR 4 HD2 TYR 4 -3.548 -4.278 -1.348
28 HD2 TYR 4 HD1 TYR 4 -2.500 -7.963 -3.200
29 HE1 TYR 4 HE2 TYR 4 -3.416 -5.346 0.864
30 HE2 TYR 4 HE1 TYR 4 -2.366 -9.041 -0.993
31 HH TYR 4 HH TYR 4 -1.925 -8.206 1.440
32 H LYS 5 H LYS 5 -1.275 -3.360 -1.817
33 HA LYS 5 HA LYS 5 -3.270 -1.448 -1.360
34 HB2 LYS 5 2HB LYS 5 -0.499 -1.858 -0.291
35 HB3 LYS 5 3HB LYS 5 -1.404 -0.416 0.149
36 HG2 LYS 5 2HG LYS 5 -2.797 -1.543 1.507
37 HG3 LYS 5 3HG LYS 5 -2.854 -2.957 0.453
38 HD2 LYS 5 2HD LYS 5 -1.030 -3.928 1.430
39 HD3 LYS 5 3HD LYS 5 -0.302 -2.379 1.862
40 HE2 LYS 5 2HE LYS 5 -2.840 -3.233 3.182
41 HE3 LYS 5 3HE LYS 5 -1.312 -3.939 3.707
42 HZ1 LYS 5 3HZ LYS 5 -1.356 -2.141 5.057
43 HZ2 LYS 5 1HZ LYS 5 -2.299 -1.211 4.004
44 HZ3 LYS 5 2HZ LYS 5 -0.642 -1.392 3.718
45 H LEU 6 H LEU 6 -0.562 -1.397 -3.452
46 HA LEU 6 HA LEU 6 -0.309 1.466 -3.584
47 HB2 LEU 6 2HB LEU 6 1.221 1.031 -5.437
48 HB3 LEU 6 3HB LEU 6 1.613 0.062 -4.019
49 HG LEU 6 HG LEU 6 0.028 -1.643 -5.459
50 HD11 LEU 6 1HD1 LEU 6 1.840 -0.368 -7.482
51 HD12 LEU 6 2HD1 LEU 6 0.150 0.107 -7.312
52 HD13 LEU 6 3HD1 LEU 6 0.560 -1.555 -7.735
53 HD21 LEU 6 3HD2 LEU 6 2.215 -2.694 -6.114
54 HD22 LEU 6 1HD2 LEU 6 2.036 -2.337 -4.396
55 HD23 LEU 6 2HD2 LEU 6 3.018 -1.286 -5.416
56 H VAL 7 H VAL 7 -2.380 -0.859 -4.948
57 HA VAL 7 HA VAL 7 -3.188 1.007 -7.081
58 HB VAL 7 HB VAL 7 -3.692 -1.966 -6.882
59 HG11 VAL 7 1HG1 VAL 7 -5.444 -1.479 -8.194
60 HG12 VAL 7 2HG1 VAL 7 -4.848 0.143 -8.553
61 HG13 VAL 7 3HG1 VAL 7 -4.233 -1.243 -9.454
62 HG21 VAL 7 3HG2 VAL 7 -1.607 -0.330 -8.188
63 HG22 VAL 7 1HG2 VAL 7 -1.539 -1.984 -7.578
64 HG23 VAL 7 2HG2 VAL 7 -2.281 -1.650 -9.143
65 H VAL 8 H VAL 8 -4.604 -1.427 -4.887
66 HA VAL 8 HA VAL 8 -7.254 -0.537 -5.118
67 HB VAL 8 HB VAL 8 -6.026 -1.892 -2.715
68 HG11 VAL 8 1HG1 VAL 8 -8.855 -2.069 -3.724
69 HG12 VAL 8 2HG1 VAL 8 -8.213 -2.617 -2.175
70 HG13 VAL 8 3HG1 VAL 8 -8.339 -0.891 -2.518
71 HG21 VAL 8 3HG2 VAL 8 -7.045 -3.019 -5.312
72 HG22 VAL 8 1HG2 VAL 8 -5.458 -3.238 -4.575
73 HG23 VAL 8 2HG2 VAL 8 -6.879 -3.987 -3.847
74 H VAL 9 H VAL 9 -4.866 0.101 -2.549
75 HA VAL 9 HA VAL 9 -6.575 2.173 -1.431
76 HB VAL 9 HB VAL 9 -3.820 1.358 -0.508
77 HG11 VAL 9 1HG1 VAL 9 -4.181 3.280 0.642
78 HG12 VAL 9 2HG1 VAL 9 -5.936 3.162 0.507
79 HG13 VAL 9 3HG1 VAL 9 -5.075 2.186 1.697
80 HG21 VAL 9 3HG2 VAL 9 -5.329 -0.580 -0.534
81 HG22 VAL 9 1HG2 VAL 9 -4.916 -0.091 1.110
82 HG23 VAL 9 2HG2 VAL 9 -6.493 0.322 0.436
83 H GLY 10 H GLY 10 -3.743 1.863 -3.418
84 HA2 GLY 10 2HA GLY 10 -2.688 4.466 -3.053
85 HA3 GLY 10 3HA GLY 10 -2.380 3.414 -4.427
86 H ALA 11 H ALA 11 -5.433 3.330 -4.774
87 HA ALA 11 HA ALA 11 -5.531 5.640 -6.538
88 HB1 ALA 11 1HB ALA 11 -6.406 3.964 -7.765
89 HB2 ALA 11 2HB ALA 11 -6.941 3.061 -6.347
90 HB3 ALA 11 3HB ALA 11 -7.898 4.419 -6.941
91 H GLY 12 H GLY 12 -7.317 4.308 -3.779
92 HA2 GLY 12 2HA GLY 12 -7.990 6.822 -2.725
93 HA3 GLY 12 3HA GLY 12 -9.347 6.248 -3.683
94 H GLY 13 H GLY 13 -9.186 3.507 -3.144
95 HA2 GLY 13 2HA GLY 13 -8.946 2.214 -0.969
96 HA3 GLY 13 3HA GLY 13 -9.918 3.508 -0.285
97 H VAL 14 H VAL 14 -9.915 0.764 -2.468
98 HA VAL 14 HA VAL 14 -12.769 0.928 -2.929
99 HB VAL 14 HB VAL 14 -10.825 -1.261 -3.680
100 HG11 VAL 14 1HG1 VAL 14 -13.034 -2.149 -3.661
101 HG12 VAL 14 2HG1 VAL 14 -13.679 -0.725 -4.480
102 HG13 VAL 14 3HG1 VAL 14 -12.613 -1.833 -5.344
103 HG21 VAL 14 3HG2 VAL 14 -11.803 1.162 -5.174
104 HG22 VAL 14 1HG2 VAL 14 -10.140 0.711 -4.800
105 HG23 VAL 14 2HG2 VAL 14 -11.065 -0.226 -5.973
106 H GLY 15 H GLY 15 -10.518 -1.082 -1.080
107 HA2 GLY 15 2HA GLY 15 -11.268 -1.867 1.107
108 HA3 GLY 15 3HA GLY 15 -12.846 -2.153 0.388
109 H LYS 16 H LYS 16 -10.083 -2.987 -1.484
110 HA LYS 16 HA LYS 16 -10.827 -5.780 -1.381
111 HB2 LYS 16 2HB LYS 16 -8.585 -4.441 -2.905
112 HB3 LYS 16 3HB LYS 16 -9.180 -6.077 -3.156
113 HG2 LYS 16 2HG LYS 16 -10.690 -3.520 -3.652
114 HG3 LYS 16 3HG LYS 16 -10.039 -4.620 -4.869
115 HD2 LYS 16 2HD LYS 16 -12.182 -5.292 -2.851
116 HD3 LYS 16 3HD LYS 16 -12.452 -4.933 -4.558
117 HE2 LYS 16 2HE LYS 16 -10.791 -7.217 -3.496
118 HE3 LYS 16 3HE LYS 16 -12.448 -7.353 -4.081
119 HZ1 LYS 16 3HZ LYS 16 -11.708 -6.614 -6.256
120 HZ2 LYS 16 1HZ LYS 16 -10.847 -7.990 -5.777
121 HZ3 LYS 16 2HZ LYS 16 -10.118 -6.466 -5.696
122 H SER 17 H SER 17 -7.871 -3.897 -0.740
123 HA SER 17 HA SER 17 -6.234 -5.937 0.140
124 HB2 SER 17 2HB SER 17 -5.115 -3.922 -0.061
125 HB3 SER 17 3HB SER 17 -6.392 -3.012 0.744
126 HG SER 17 HG SER 17 -5.311 -3.241 2.517
127 H HIS 18 H HIS 18 -8.875 -4.368 1.785
128 HA HIS 18 HA HIS 18 -8.371 -4.983 4.429
129 HB2 HIS 18 2HB HIS 18 -10.944 -4.825 2.873
130 HB3 HIS 18 3HB HIS 18 -10.932 -5.167 4.600
131 HD1 HIS 18 HD1 HIS 18 -9.134 -2.560 2.474
132 HD2 HIS 18 HD2 HIS 18 -11.470 -2.869 5.896
133 HE1 HIS 18 HE1 HIS 18 -9.318 -0.220 3.376
134 H VAL 19 H VAL 19 -9.369 -7.081 1.830
135 HA VAL 19 HA VAL 19 -10.184 -9.271 3.466
136 HB VAL 19 HB VAL 19 -9.278 -9.306 0.584
137 HG11 VAL 19 1HG1 VAL 19 -10.747 -11.306 2.286
138 HG12 VAL 19 2HG1 VAL 19 -10.741 -11.364 0.522
139 HG13 VAL 19 3HG1 VAL 19 -9.228 -11.523 1.416
140 HG21 VAL 19 3HG2 VAL 19 -12.082 -9.131 1.680
141 HG22 VAL 19 1HG2 VAL 19 -11.171 -7.766 1.035
142 HG23 VAL 19 2HG2 VAL 19 -11.601 -9.114 -0.017
143 H TRP 20 H TRP 20 -7.217 -8.548 1.645
144 HA TRP 20 HA TRP 20 -5.886 -10.824 2.906
145 HB2 TRP 20 2HB TRP 20 -4.790 -8.925 0.823
146 HB3 TRP 20 3HB TRP 20 -4.108 -10.475 1.310
147 HD1 TRP 20 HD1 TRP 20 -6.834 -8.953 -0.867
148 HE1 TRP 20 HE1 TRP 20 -7.826 -10.792 -2.370
149 HE3 TRP 20 HE3 TRP 20 -4.559 -13.025 1.226
150 HZ2 TRP 20 HZ2 TRP 20 -7.666 -13.598 -2.633
151 HZ3 TRP 20 HZ3 TRP 20 -5.033 -15.251 0.290
152 HH2 TRP 20 HH2 TRP 20 -6.555 -15.529 -1.599
Start of MODEL 14
1 H1 MET 1 H MET 1 0.834 0.409 -1.011
2 HA MET 1 HA MET 1 2.996 0.606 -2.829
3 HB2 MET 1 2HB MET 1 2.494 2.194 -0.939
4 HB3 MET 1 3HB MET 1 3.112 0.974 0.166
5 HG2 MET 1 2HG MET 1 4.933 1.589 -2.026
6 HG3 MET 1 3HG MET 1 4.572 2.969 -0.992
7 HE1 MET 1 3HE MET 1 6.227 3.568 0.582
8 HE2 MET 1 1HE MET 1 5.056 2.933 1.738
9 HE3 MET 1 2HE MET 1 6.768 2.548 1.916
10 H THR 2 H THR 2 1.926 -1.977 -1.028
11 HA THR 2 HA THR 2 4.612 -3.146 -0.779
12 HB THR 2 HB THR 2 3.279 -3.159 1.286
13 HG1 THR 2 HG1 THR 2 3.485 -5.448 1.655
14 HG21 THR 2 3HG2 THR 2 1.421 -5.240 0.436
15 HG22 THR 2 1HG2 THR 2 1.139 -3.695 -0.365
16 HG23 THR 2 2HG2 THR 2 1.131 -3.790 1.396
17 H GLU 3 H GLU 3 1.510 -3.503 -2.331
18 HA GLU 3 HA GLU 3 2.542 -5.164 -4.367
19 HB2 GLU 3 2HB GLU 3 2.521 -6.973 -2.840
20 HB3 GLU 3 3HB GLU 3 0.961 -6.501 -2.181
21 HG2 GLU 3 2HG GLU 3 -0.171 -7.197 -4.159
22 HG3 GLU 3 3HG GLU 3 1.355 -7.457 -5.003
23 H TYR 4 H TYR 4 -0.587 -5.004 -2.659
24 HA TYR 4 HA TYR 4 -1.816 -4.153 -5.195
25 HB2 TYR 4 2HB TYR 4 -3.966 -4.929 -3.953
26 HB3 TYR 4 3HB TYR 4 -2.882 -6.143 -4.624
27 HD1 TYR 4 HD2 TYR 4 -3.435 -4.265 -1.439
28 HD2 TYR 4 HD1 TYR 4 -2.282 -7.923 -3.281
29 HE1 TYR 4 HE2 TYR 4 -3.252 -5.316 0.777
30 HE2 TYR 4 HE1 TYR 4 -2.097 -8.985 -1.070
31 HH TYR 4 HH TYR 4 -1.727 -8.278 1.287
32 H LYS 5 H LYS 5 -1.195 -3.275 -1.930
33 HA LYS 5 HA LYS 5 -3.251 -1.425 -1.472
34 HB2 LYS 5 2HB LYS 5 -0.481 -1.789 -0.396
35 HB3 LYS 5 3HB LYS 5 -1.376 -0.331 0.012
36 HG2 LYS 5 2HG LYS 5 -2.829 -1.430 1.352
37 HG3 LYS 5 3HG LYS 5 -2.792 -2.900 0.375
38 HD2 LYS 5 2HD LYS 5 -1.011 -3.760 1.494
39 HD3 LYS 5 3HD LYS 5 -0.294 -2.174 1.789
40 HE2 LYS 5 2HE LYS 5 -1.663 -1.771 3.638
41 HE3 LYS 5 3HE LYS 5 -2.820 -3.016 3.168
42 HZ1 LYS 5 3HZ LYS 5 -0.150 -3.994 3.658
43 HZ2 LYS 5 1HZ LYS 5 -1.639 -4.600 4.184
44 HZ3 LYS 5 2HZ LYS 5 -0.900 -3.330 5.022
45 H LEU 6 H LEU 6 -0.581 -1.309 -3.596
46 HA LEU 6 HA LEU 6 -0.398 1.563 -3.727
47 HB2 LEU 6 2HB LEU 6 1.130 1.163 -5.594
48 HB3 LEU 6 3HB LEU 6 1.563 0.221 -4.169
49 HG LEU 6 HG LEU 6 0.014 -1.541 -5.590
50 HD11 LEU 6 1HD1 LEU 6 0.531 -1.456 -7.862
51 HD12 LEU 6 2HD1 LEU 6 1.810 -0.265 -7.624
52 HD13 LEU 6 3HD1 LEU 6 0.120 0.210 -7.456
53 HD21 LEU 6 3HD2 LEU 6 2.971 -1.091 -5.389
54 HD22 LEU 6 1HD2 LEU 6 2.314 -2.446 -6.307
55 HD23 LEU 6 2HD2 LEU 6 1.971 -2.301 -4.583
56 H VAL 7 H VAL 7 -2.416 -0.819 -5.066
57 HA VAL 7 HA VAL 7 -3.294 1.024 -7.192
58 HB VAL 7 HB VAL 7 -3.682 -1.967 -7.015
59 HG11 VAL 7 1HG1 VAL 7 -5.478 -1.497 -8.287
60 HG12 VAL 7 2HG1 VAL 7 -4.893 0.116 -8.700
61 HG13 VAL 7 3HG1 VAL 7 -4.281 -1.294 -9.567
62 HG21 VAL 7 3HG2 VAL 7 -1.673 -0.239 -8.325
63 HG22 VAL 7 1HG2 VAL 7 -1.531 -1.889 -7.718
64 HG23 VAL 7 2HG2 VAL 7 -2.296 -1.586 -9.278
65 H VAL 8 H VAL 8 -4.602 -1.474 -5.004
66 HA VAL 8 HA VAL 8 -7.287 -0.667 -5.218
67 HB VAL 8 HB VAL 8 -5.945 -2.091 -2.915
68 HG11 VAL 8 1HG1 VAL 8 -8.731 -1.330 -3.473
69 HG12 VAL 8 2HG1 VAL 8 -8.490 -3.003 -2.966
70 HG13 VAL 8 3HG1 VAL 8 -7.933 -1.680 -1.940
71 HG21 VAL 8 3HG2 VAL 8 -5.830 -3.899 -4.202
72 HG22 VAL 8 1HG2 VAL 8 -7.544 -3.768 -4.596
73 HG23 VAL 8 2HG2 VAL 8 -6.347 -2.921 -5.575
74 H VAL 9 H VAL 9 -4.935 -0.054 -2.606
75 HA VAL 9 HA VAL 9 -6.690 1.928 -1.421
76 HB VAL 9 HB VAL 9 -3.874 1.233 -0.589
77 HG11 VAL 9 1HG1 VAL 9 -4.453 3.210 0.489
78 HG12 VAL 9 2HG1 VAL 9 -6.141 2.731 0.674
79 HG13 VAL 9 3HG1 VAL 9 -4.893 1.971 1.663
80 HG21 VAL 9 3HG2 VAL 9 -6.484 -0.010 0.272
81 HG22 VAL 9 1HG2 VAL 9 -5.166 -0.803 -0.592
82 HG23 VAL 9 2HG2 VAL 9 -4.934 -0.268 1.073
83 H GLY 10 H GLY 10 -3.909 1.813 -3.496
84 HA2 GLY 10 2HA GLY 10 -2.955 4.444 -3.084
85 HA3 GLY 10 3HA GLY 10 -2.660 3.454 -4.506
86 H ALA 11 H ALA 11 -5.724 3.258 -4.725
87 HA ALA 11 HA ALA 11 -5.988 5.646 -6.376
88 HB1 ALA 11 1HB ALA 11 -6.898 4.121 -7.722
89 HB2 ALA 11 2HB ALA 11 -7.088 2.957 -6.410
90 HB3 ALA 11 3HB ALA 11 -8.315 4.197 -6.674
91 H GLY 12 H GLY 12 -7.156 4.328 -3.393
92 HA2 GLY 12 2HA GLY 12 -8.036 6.502 -2.144
93 HA3 GLY 12 3HA GLY 12 -9.376 6.212 -3.243
94 H GLY 13 H GLY 13 -8.690 3.225 -2.946
95 HA2 GLY 13 2HA GLY 13 -8.865 1.678 -1.065
96 HA3 GLY 13 3HA GLY 13 -9.897 2.861 -0.275
97 H VAL 14 H VAL 14 -9.705 0.486 -2.853
98 HA VAL 14 HA VAL 14 -12.431 0.746 -3.665
99 HB VAL 14 HB VAL 14 -10.617 -1.630 -4.090
100 HG11 VAL 14 1HG1 VAL 14 -13.104 -1.837 -4.531
101 HG12 VAL 14 2HG1 VAL 14 -12.873 -0.664 -5.828
102 HG13 VAL 14 3HG1 VAL 14 -12.036 -2.216 -5.882
103 HG21 VAL 14 3HG2 VAL 14 -10.945 0.830 -5.807
104 HG22 VAL 14 1HG2 VAL 14 -9.522 0.421 -4.848
105 HG23 VAL 14 2HG2 VAL 14 -9.989 -0.595 -6.212
106 H GLY 15 H GLY 15 -10.687 -1.314 -1.399
107 HA2 GLY 15 2HA GLY 15 -11.924 -2.032 0.588
108 HA3 GLY 15 3HA GLY 15 -13.298 -2.332 -0.465
109 H LYS 16 H LYS 16 -10.205 -3.216 -1.667
110 HA LYS 16 HA LYS 16 -10.899 -6.046 -1.283
111 HB2 LYS 16 2HB LYS 16 -8.857 -4.954 -3.213
112 HB3 LYS 16 3HB LYS 16 -9.617 -6.539 -3.224
113 HG2 LYS 16 2HG LYS 16 -11.020 -3.928 -3.754
114 HG3 LYS 16 3HG LYS 16 -10.492 -5.082 -4.981
115 HD2 LYS 16 2HD LYS 16 -12.335 -6.300 -4.705
116 HD3 LYS 16 3HD LYS 16 -12.058 -6.410 -2.966
117 HE2 LYS 16 2HE LYS 16 -13.077 -4.152 -2.727
118 HE3 LYS 16 3HE LYS 16 -13.467 -4.192 -4.446
119 HZ1 LYS 16 3HZ LYS 16 -15.391 -4.901 -3.344
120 HZ2 LYS 16 1HZ LYS 16 -14.537 -5.914 -2.291
121 HZ3 LYS 16 2HZ LYS 16 -14.688 -6.326 -3.924
122 H SER 17 H SER 17 -8.161 -3.792 -1.134
123 HA SER 17 HA SER 17 -6.176 -5.512 -0.284
124 HB2 SER 17 2HB SER 17 -5.623 -3.243 -0.843
125 HB3 SER 17 3HB SER 17 -6.663 -2.616 0.436
126 HG SER 17 HG SER 17 -5.208 -3.175 1.924
127 H HIS 18 H HIS 18 -8.866 -4.199 1.498
128 HA HIS 18 HA HIS 18 -7.994 -4.600 4.116
129 HB2 HIS 18 2HB HIS 18 -10.798 -4.882 3.013
130 HB3 HIS 18 3HB HIS 18 -10.385 -4.694 4.715
131 HD1 HIS 18 HD1 HIS 18 -8.098 -2.473 3.667
132 HD2 HIS 18 HD2 HIS 18 -12.239 -2.413 3.330
133 HE1 HIS 18 HE1 HIS 18 -8.715 -0.052 3.377
134 H VAL 19 H VAL 19 -9.304 -6.855 1.769
135 HA VAL 19 HA VAL 19 -9.880 -9.009 3.448
136 HB VAL 19 HB VAL 19 -8.845 -9.104 0.611
137 HG11 VAL 19 1HG1 VAL 19 -10.321 -11.278 0.742
138 HG12 VAL 19 2HG1 VAL 19 -8.635 -11.290 1.265
139 HG13 VAL 19 3HG1 VAL 19 -9.930 -11.172 2.458
140 HG21 VAL 19 3HG2 VAL 19 -11.344 -8.224 1.725
141 HG22 VAL 19 1HG2 VAL 19 -10.799 -8.208 0.048
142 HG23 VAL 19 2HG2 VAL 19 -11.594 -9.639 0.703
143 H TRP 20 H TRP 20 -6.914 -8.478 1.534
144 HA TRP 20 HA TRP 20 -5.522 -10.424 3.215
145 HB2 TRP 20 2HB TRP 20 -4.476 -9.006 0.760
146 HB3 TRP 20 3HB TRP 20 -3.800 -10.436 1.537
147 HD1 TRP 20 HD1 TRP 20 -6.548 -9.346 -0.859
148 HE1 TRP 20 HE1 TRP 20 -7.592 -11.437 -1.938
149 HE3 TRP 20 HE3 TRP 20 -4.289 -12.943 1.987
150 HZ2 TRP 20 HZ2 TRP 20 -7.474 -14.239 -1.624
151 HZ3 TRP 20 HZ3 TRP 20 -4.810 -15.305 1.533
152 HH2 TRP 20 HH2 TRP 20 -6.370 -15.937 -0.235
Start of MODEL 15
1 H1 MET 1 H MET 1 1.722 0.171 1.108
2 HA MET 1 HA MET 1 1.212 -0.004 -1.790
3 HB2 MET 1 2HB MET 1 1.708 2.301 -0.916
4 HB3 MET 1 3HB MET 1 3.301 1.717 -0.450
5 HG2 MET 1 2HG MET 1 3.463 1.001 -2.947
6 HG3 MET 1 3HG MET 1 2.174 2.182 -3.168
7 HE1 MET 1 3HE MET 1 6.371 2.245 -2.907
8 HE2 MET 1 1HE MET 1 5.159 1.567 -3.995
9 HE3 MET 1 2HE MET 1 5.833 3.165 -4.314
10 H THR 2 H THR 2 1.777 -2.339 -0.732
11 HA THR 2 HA THR 2 4.659 -2.747 -1.202
12 HB THR 2 HB THR 2 3.919 -3.265 1.127
13 HG1 THR 2 HG1 THR 2 5.681 -4.416 0.621
14 HG21 THR 2 3HG2 THR 2 1.656 -4.093 0.504
15 HG22 THR 2 1HG2 THR 2 2.540 -5.195 1.559
16 HG23 THR 2 2HG2 THR 2 2.411 -5.538 -0.166
17 H GLU 3 H GLU 3 1.405 -3.808 -1.898
18 HA GLU 3 HA GLU 3 2.369 -5.220 -4.242
19 HB2 GLU 3 2HB GLU 3 2.431 -7.056 -2.751
20 HB3 GLU 3 3HB GLU 3 0.922 -6.584 -1.981
21 HG2 GLU 3 2HG GLU 3 0.590 -8.524 -3.380
22 HG3 GLU 3 3HG GLU 3 -0.297 -7.143 -4.023
23 H TYR 4 H TYR 4 -0.650 -5.092 -2.344
24 HA TYR 4 HA TYR 4 -2.034 -4.204 -4.784
25 HB2 TYR 4 2HB TYR 4 -4.103 -4.951 -3.400
26 HB3 TYR 4 3HB TYR 4 -3.080 -6.181 -4.134
27 HD1 TYR 4 HD2 TYR 4 -3.389 -4.280 -0.930
28 HD2 TYR 4 HD1 TYR 4 -2.425 -7.965 -2.825
29 HE1 TYR 4 HE2 TYR 4 -3.072 -5.324 1.275
30 HE2 TYR 4 HE1 TYR 4 -2.107 -9.020 -0.626
31 HH TYR 4 HH TYR 4 -1.593 -7.481 2.095
32 H LYS 5 H LYS 5 -1.171 -3.323 -1.578
33 HA LYS 5 HA LYS 5 -3.183 -1.399 -1.070
34 HB2 LYS 5 2HB LYS 5 -0.408 -1.827 0.013
35 HB3 LYS 5 3HB LYS 5 -1.391 -0.461 0.523
36 HG2 LYS 5 2HG LYS 5 -2.828 -1.757 1.714
37 HG3 LYS 5 3HG LYS 5 -2.615 -3.157 0.661
38 HD2 LYS 5 2HD LYS 5 -1.620 -3.657 2.782
39 HD3 LYS 5 3HD LYS 5 -0.322 -3.430 1.608
40 HE2 LYS 5 2HE LYS 5 0.367 -2.269 3.535
41 HE3 LYS 5 3HE LYS 5 -0.209 -1.028 2.422
42 HZ1 LYS 5 3HZ LYS 5 -1.013 -1.383 5.011
43 HZ2 LYS 5 1HZ LYS 5 -2.297 -2.005 4.103
44 HZ3 LYS 5 2HZ LYS 5 -1.776 -0.416 3.852
45 H LEU 6 H LEU 6 -0.612 -1.429 -3.260
46 HA LEU 6 HA LEU 6 -0.211 1.440 -3.302
47 HB2 LEU 6 2HB LEU 6 1.311 0.977 -5.163
48 HB3 LEU 6 3HB LEU 6 1.680 0.006 -3.740
49 HG LEU 6 HG LEU 6 0.033 -1.638 -5.227
50 HD11 LEU 6 1HD1 LEU 6 0.726 -1.602 -7.470
51 HD12 LEU 6 2HD1 LEU 6 2.024 -0.456 -7.139
52 HD13 LEU 6 3HD1 LEU 6 0.344 0.075 -7.079
53 HD21 LEU 6 3HD2 LEU 6 1.989 -2.353 -4.007
54 HD22 LEU 6 1HD2 LEU 6 3.043 -1.483 -5.122
55 HD23 LEU 6 2HD2 LEU 6 2.121 -2.877 -5.686
56 H VAL 7 H VAL 7 -2.265 -0.864 -4.783
57 HA VAL 7 HA VAL 7 -3.054 1.085 -6.846
58 HB VAL 7 HB VAL 7 -3.546 -1.896 -6.774
59 HG11 VAL 7 1HG1 VAL 7 -4.078 -1.163 -9.306
60 HG12 VAL 7 2HG1 VAL 7 -5.309 -1.283 -8.048
61 HG13 VAL 7 3HG1 VAL 7 -4.610 0.285 -8.452
62 HG21 VAL 7 3HG2 VAL 7 -2.094 -1.493 -8.991
63 HG22 VAL 7 1HG2 VAL 7 -1.449 -0.199 -7.980
64 HG23 VAL 7 2HG2 VAL 7 -1.376 -1.872 -7.425
65 H VAL 8 H VAL 8 -4.510 -1.460 -4.808
66 HA VAL 8 HA VAL 8 -7.150 -0.510 -5.034
67 HB VAL 8 HB VAL 8 -5.928 -2.159 -2.816
68 HG11 VAL 8 1HG1 VAL 8 -8.621 -2.816 -3.151
69 HG12 VAL 8 2HG1 VAL 8 -7.894 -1.945 -1.799
70 HG13 VAL 8 3HG1 VAL 8 -8.566 -1.054 -3.166
71 HG21 VAL 8 3HG2 VAL 8 -6.033 -3.950 -4.147
72 HG22 VAL 8 1HG2 VAL 8 -7.632 -3.511 -4.747
73 HG23 VAL 8 2HG2 VAL 8 -6.191 -2.809 -5.482
74 H VAL 9 H VAL 9 -4.860 -0.215 -2.313
75 HA VAL 9 HA VAL 9 -6.537 1.765 -1.031
76 HB VAL 9 HB VAL 9 -3.760 0.907 -0.220
77 HG11 VAL 9 1HG1 VAL 9 -4.143 2.702 1.116
78 HG12 VAL 9 2HG1 VAL 9 -5.897 2.563 0.989
79 HG13 VAL 9 3HG1 VAL 9 -5.002 1.492 2.067
80 HG21 VAL 9 3HG2 VAL 9 -4.813 -0.715 1.256
81 HG22 VAL 9 1HG2 VAL 9 -6.404 -0.263 0.643
82 HG23 VAL 9 2HG2 VAL 9 -5.237 -1.045 -0.424
83 H GLY 10 H GLY 10 -3.752 1.689 -3.095
84 HA2 GLY 10 2HA GLY 10 -2.754 4.286 -2.483
85 HA3 GLY 10 3HA GLY 10 -2.382 3.345 -3.920
86 H ALA 11 H ALA 11 -5.419 3.186 -4.352
87 HA ALA 11 HA ALA 11 -5.557 5.609 -5.952
88 HB1 ALA 11 1HB ALA 11 -7.336 4.592 -7.118
89 HB2 ALA 11 2HB ALA 11 -6.168 3.306 -6.811
90 HB3 ALA 11 3HB ALA 11 -7.624 3.430 -5.823
91 H GLY 12 H GLY 12 -6.906 4.295 -3.039
92 HA2 GLY 12 2HA GLY 12 -7.750 6.477 -1.785
93 HA3 GLY 12 3HA GLY 12 -9.044 6.278 -2.958
94 H GLY 13 H GLY 13 -8.519 3.255 -2.701
95 HA2 GLY 13 2HA GLY 13 -8.864 1.680 -0.863
96 HA3 GLY 13 3HA GLY 13 -9.886 2.894 -0.107
97 H VAL 14 H VAL 14 -9.643 0.627 -2.791
98 HA VAL 14 HA VAL 14 -12.320 1.003 -3.701
99 HB VAL 14 HB VAL 14 -10.569 -1.413 -4.152
100 HG11 VAL 14 1HG1 VAL 14 -12.046 -2.090 -5.718
101 HG12 VAL 14 2HG1 VAL 14 -13.177 -1.125 -4.767
102 HG13 VAL 14 3HG1 VAL 14 -12.435 -0.444 -6.216
103 HG21 VAL 14 3HG2 VAL 14 -9.191 0.235 -4.962
104 HG22 VAL 14 1HG2 VAL 14 -10.179 -0.089 -6.386
105 HG23 VAL 14 2HG2 VAL 14 -10.530 1.308 -5.369
106 H GLY 15 H GLY 15 -10.748 -1.224 -1.466
107 HA2 GLY 15 2HA GLY 15 -12.040 -2.029 0.428
108 HA3 GLY 15 3HA GLY 15 -13.431 -2.137 -0.641
109 H LYS 16 H LYS 16 -10.351 -3.180 -1.812
110 HA LYS 16 HA LYS 16 -11.299 -5.962 -1.694
111 HB2 LYS 16 2HB LYS 16 -9.150 -4.861 -3.504
112 HB3 LYS 16 3HB LYS 16 -9.976 -6.408 -3.636
113 HG2 LYS 16 2HG LYS 16 -11.313 -3.731 -3.962
114 HG3 LYS 16 3HG LYS 16 -10.725 -4.732 -5.292
115 HD2 LYS 16 2HD LYS 16 -12.604 -5.919 -5.264
116 HD3 LYS 16 3HD LYS 16 -12.347 -6.330 -3.567
117 HE2 LYS 16 2HE LYS 16 -13.329 -4.067 -3.009
118 HE3 LYS 16 3HE LYS 16 -13.807 -3.955 -4.702
119 HZ1 LYS 16 3HZ LYS 16 -15.526 -5.294 -4.347
120 HZ2 LYS 16 1HZ LYS 16 -15.236 -5.126 -2.689
121 HZ3 LYS 16 2HZ LYS 16 -14.585 -6.439 -3.533
122 H SER 17 H SER 17 -8.375 -3.974 -1.351
123 HA SER 17 HA SER 17 -6.593 -5.946 -0.567
124 HB2 SER 17 2HB SER 17 -5.628 -3.855 -0.976
125 HB3 SER 17 3HB SER 17 -6.791 -3.011 0.046
126 HG SER 17 HG SER 17 -5.688 -3.576 1.805
127 H HIS 18 H HIS 18 -9.137 -4.392 1.239
128 HA HIS 18 HA HIS 18 -8.396 -4.894 3.850
129 HB2 HIS 18 2HB HIS 18 -11.095 -4.873 2.514
130 HB3 HIS 18 3HB HIS 18 -10.925 -5.139 4.246
131 HD1 HIS 18 HD1 HIS 18 -9.292 -2.589 1.931
132 HD2 HIS 18 HD2 HIS 18 -11.533 -2.790 5.424
133 HE1 HIS 18 HE1 HIS 18 -9.502 -0.215 2.732
134 H VAL 19 H VAL 19 -9.633 -7.108 1.437
135 HA VAL 19 HA VAL 19 -10.395 -9.252 3.026
136 HB VAL 19 HB VAL 19 -9.049 -9.364 0.323
137 HG11 VAL 19 1HG1 VAL 19 -8.978 -11.527 1.384
138 HG12 VAL 19 2HG1 VAL 19 -10.689 -11.416 1.805
139 HG13 VAL 19 3HG1 VAL 19 -10.202 -11.545 0.114
140 HG21 VAL 19 3HG2 VAL 19 -11.988 -9.381 0.998
141 HG22 VAL 19 1HG2 VAL 19 -11.100 -7.970 0.423
142 HG23 VAL 19 2HG2 VAL 19 -11.267 -9.389 -0.611
143 H TRP 20 H TRP 20 -7.191 -8.559 1.639
144 HA TRP 20 HA TRP 20 -6.020 -10.711 3.218
145 HB2 TRP 20 2HB TRP 20 -4.807 -8.849 1.165
146 HB3 TRP 20 3HB TRP 20 -3.933 -10.139 1.986
147 HD1 TRP 20 HD1 TRP 20 -6.491 -9.537 -0.769
148 HE1 TRP 20 HE1 TRP 20 -6.828 -11.723 -2.086
149 HE3 TRP 20 HE3 TRP 20 -3.846 -12.713 2.240
150 HZ2 TRP 20 HZ2 TRP 20 -6.072 -14.434 -1.877
151 HZ3 TRP 20 HZ3 TRP 20 -3.702 -15.088 1.610
152 HH2 TRP 20 HH2 TRP 20 -4.794 -15.929 -0.405
Start of MODEL 16
1 H1 MET 1 H MET 1 1.566 0.216 1.003
2 HA MET 1 HA MET 1 1.187 -0.005 -1.911
3 HB2 MET 1 2HB MET 1 1.705 2.295 -1.039
4 HB3 MET 1 3HB MET 1 3.257 1.676 -0.492
5 HG2 MET 1 2HG MET 1 3.506 0.924 -2.977
6 HG3 MET 1 3HG MET 1 2.275 2.152 -3.262
7 HE1 MET 1 3HE MET 1 6.224 1.938 -1.714
8 HE2 MET 1 1HE MET 1 5.584 1.179 -3.172
9 HE3 MET 1 2HE MET 1 6.554 2.646 -3.296
10 H THR 2 H THR 2 1.642 -2.342 -0.803
11 HA THR 2 HA THR 2 4.531 -2.830 -1.141
12 HB THR 2 HB THR 2 3.677 -3.307 1.156
13 HG1 THR 2 HG1 THR 2 4.401 -5.738 -0.107
14 HG21 THR 2 3HG2 THR 2 2.154 -5.541 -0.188
15 HG22 THR 2 1HG2 THR 2 1.418 -4.072 0.451
16 HG23 THR 2 2HG2 THR 2 2.228 -5.199 1.540
17 H GLU 3 H GLU 3 1.284 -3.817 -1.972
18 HA GLU 3 HA GLU 3 2.316 -5.276 -4.257
19 HB2 GLU 3 2HB GLU 3 2.258 -7.097 -2.748
20 HB3 GLU 3 3HB GLU 3 0.729 -6.577 -2.054
21 HG2 GLU 3 2HG GLU 3 0.406 -8.521 -3.448
22 HG3 GLU 3 3HG GLU 3 -0.406 -7.122 -4.149
23 H TYR 4 H TYR 4 -0.782 -5.046 -2.503
24 HA TYR 4 HA TYR 4 -2.027 -4.146 -5.012
25 HB2 TYR 4 2HB TYR 4 -4.178 -4.823 -3.719
26 HB3 TYR 4 3HB TYR 4 -3.156 -6.087 -4.395
27 HD1 TYR 4 HD2 TYR 4 -3.562 -4.147 -1.224
28 HD2 TYR 4 HD1 TYR 4 -2.610 -7.875 -3.041
29 HE1 TYR 4 HE2 TYR 4 -3.376 -5.178 1.001
30 HE2 TYR 4 HE1 TYR 4 -2.423 -8.917 -0.821
31 HH TYR 4 HH TYR 4 -1.926 -7.484 1.846
32 H LYS 5 H LYS 5 -1.291 -3.258 -1.776
33 HA LYS 5 HA LYS 5 -3.271 -1.276 -1.378
34 HB2 LYS 5 2HB LYS 5 -0.561 -1.770 -0.166
35 HB3 LYS 5 3HB LYS 5 -1.523 -0.368 0.285
36 HG2 LYS 5 2HG LYS 5 -3.027 -1.598 1.449
37 HG3 LYS 5 3HG LYS 5 -2.864 -3.002 0.392
38 HD2 LYS 5 2HD LYS 5 -1.093 -3.845 1.557
39 HD3 LYS 5 3HD LYS 5 -0.515 -2.249 2.043
40 HE2 LYS 5 2HE LYS 5 -3.034 -3.486 3.132
41 HE3 LYS 5 3HE LYS 5 -1.455 -3.707 3.884
42 HZ1 LYS 5 3HZ LYS 5 -3.181 -1.382 3.859
43 HZ2 LYS 5 1HZ LYS 5 -1.539 -1.052 3.618
44 HZ3 LYS 5 2HZ LYS 5 -2.041 -1.873 5.008
45 H LEU 6 H LEU 6 -0.601 -1.395 -3.445
46 HA LEU 6 HA LEU 6 -0.124 1.462 -3.496
47 HB2 LEU 6 2HB LEU 6 1.471 0.943 -5.277
48 HB3 LEU 6 3HB LEU 6 1.745 -0.031 -3.834
49 HG LEU 6 HG LEU 6 0.127 -1.640 -5.384
50 HD11 LEU 6 1HD1 LEU 6 0.927 -1.637 -7.597
51 HD12 LEU 6 2HD1 LEU 6 2.217 -0.498 -7.215
52 HD13 LEU 6 3HD1 LEU 6 0.539 0.044 -7.233
53 HD21 LEU 6 3HD2 LEU 6 3.140 -1.595 -5.263
54 HD22 LEU 6 1HD2 LEU 6 2.130 -2.979 -5.679
55 HD23 LEU 6 2HD2 LEU 6 2.076 -2.307 -4.050
56 H VAL 7 H VAL 7 -2.186 -0.791 -5.031
57 HA VAL 7 HA VAL 7 -2.822 1.153 -7.152
58 HB VAL 7 HB VAL 7 -3.396 -1.813 -7.075
59 HG11 VAL 7 1HG1 VAL 7 -5.082 -1.181 -8.434
60 HG12 VAL 7 2HG1 VAL 7 -4.341 0.377 -8.807
61 HG13 VAL 7 3HG1 VAL 7 -3.796 -1.082 -9.637
62 HG21 VAL 7 3HG2 VAL 7 -1.209 -0.180 -8.216
63 HG22 VAL 7 1HG2 VAL 7 -1.198 -1.842 -7.627
64 HG23 VAL 7 2HG2 VAL 7 -1.841 -1.479 -9.228
65 H VAL 8 H VAL 8 -4.436 -1.331 -5.158
66 HA VAL 8 HA VAL 8 -7.035 -0.301 -5.508
67 HB VAL 8 HB VAL 8 -5.977 -1.983 -3.232
68 HG11 VAL 8 1HG1 VAL 8 -8.692 -2.519 -3.795
69 HG12 VAL 8 2HG1 VAL 8 -7.999 -1.812 -2.334
70 HG13 VAL 8 3HG1 VAL 8 -8.523 -0.770 -3.657
71 HG21 VAL 8 3HG2 VAL 8 -7.385 -3.675 -4.797
72 HG22 VAL 8 1HG2 VAL 8 -6.725 -2.584 -6.016
73 HG23 VAL 8 2HG2 VAL 8 -5.641 -3.443 -4.920
74 H VAL 9 H VAL 9 -4.877 -0.098 -2.672
75 HA VAL 9 HA VAL 9 -6.541 1.924 -1.453
76 HB VAL 9 HB VAL 9 -3.807 1.014 -0.554
77 HG11 VAL 9 1HG1 VAL 9 -4.659 1.719 1.669
78 HG12 VAL 9 2HG1 VAL 9 -4.518 3.047 0.516
79 HG13 VAL 9 3HG1 VAL 9 -6.099 2.353 0.874
80 HG21 VAL 9 3HG2 VAL 9 -4.940 -0.594 0.881
81 HG22 VAL 9 1HG2 VAL 9 -6.499 -0.116 0.208
82 HG23 VAL 9 2HG2 VAL 9 -5.304 -0.914 -0.814
83 H GLY 10 H GLY 10 -3.700 1.804 -3.435
84 HA2 GLY 10 2HA GLY 10 -2.620 4.342 -2.781
85 HA3 GLY 10 3HA GLY 10 -2.309 3.438 -4.256
86 H ALA 11 H ALA 11 -5.359 3.421 -4.637
87 HA ALA 11 HA ALA 11 -5.418 5.866 -6.194
88 HB1 ALA 11 1HB ALA 11 -6.952 4.849 -7.485
89 HB2 ALA 11 2HB ALA 11 -6.380 3.387 -6.681
90 HB3 ALA 11 3HB ALA 11 -7.836 4.197 -6.104
91 H GLY 12 H GLY 12 -7.127 4.447 -3.441
92 HA2 GLY 12 2HA GLY 12 -7.671 6.863 -2.177
93 HA3 GLY 12 3HA GLY 12 -9.064 6.502 -3.185
94 H GLY 13 H GLY 13 -9.003 3.670 -2.910
95 HA2 GLY 13 2HA GLY 13 -8.896 2.190 -0.852
96 HA3 GLY 13 3HA GLY 13 -9.839 3.460 -0.086
97 H VAL 14 H VAL 14 -9.876 0.835 -2.380
98 HA VAL 14 HA VAL 14 -12.692 1.185 -2.984
99 HB VAL 14 HB VAL 14 -10.810 -1.047 -3.765
100 HG11 VAL 14 1HG1 VAL 14 -12.659 -1.242 -5.605
101 HG12 VAL 14 2HG1 VAL 14 -12.888 -2.003 -4.029
102 HG13 VAL 14 3HG1 VAL 14 -13.669 -0.462 -4.388
103 HG21 VAL 14 3HG2 VAL 14 -11.587 1.526 -5.097
104 HG22 VAL 14 1HG2 VAL 14 -9.977 0.860 -4.821
105 HG23 VAL 14 2HG2 VAL 14 -11.034 0.139 -6.034
106 H GLY 15 H GLY 15 -10.638 -0.954 -1.074
107 HA2 GLY 15 2HA GLY 15 -11.564 -1.804 1.017
108 HA3 GLY 15 3HA GLY 15 -13.088 -2.032 0.172
109 H LYS 16 H LYS 16 -10.107 -2.857 -1.395
110 HA LYS 16 HA LYS 16 -10.928 -5.653 -1.429
111 HB2 LYS 16 2HB LYS 16 -8.646 -4.309 -2.888
112 HB3 LYS 16 3HB LYS 16 -9.259 -5.931 -3.179
113 HG2 LYS 16 2HG LYS 16 -10.723 -3.345 -3.662
114 HG3 LYS 16 3HG LYS 16 -10.063 -4.434 -4.884
115 HD2 LYS 16 2HD LYS 16 -12.255 -5.110 -2.922
116 HD3 LYS 16 3HD LYS 16 -12.485 -4.717 -4.627
117 HE2 LYS 16 2HE LYS 16 -11.013 -6.662 -5.184
118 HE3 LYS 16 3HE LYS 16 -11.029 -7.091 -3.474
119 HZ1 LYS 16 3HZ LYS 16 -12.745 -8.355 -4.238
120 HZ2 LYS 16 1HZ LYS 16 -13.181 -7.261 -5.453
121 HZ3 LYS 16 2HZ LYS 16 -13.603 -6.951 -3.845
122 H SER 17 H SER 17 -8.050 -3.728 -0.616
123 HA SER 17 HA SER 17 -6.369 -5.750 0.225
124 HB2 SER 17 2HB SER 17 -5.437 -3.587 0.095
125 HB3 SER 17 3HB SER 17 -6.678 -2.895 1.139
126 HG SER 17 HG SER 17 -5.418 -3.311 2.753
127 H HIS 18 H HIS 18 -9.135 -4.373 1.836
128 HA HIS 18 HA HIS 18 -8.712 -5.102 4.464
129 HB2 HIS 18 2HB HIS 18 -11.213 -4.942 2.802
130 HB3 HIS 18 3HB HIS 18 -11.278 -5.419 4.496
131 HD1 HIS 18 HD1 HIS 18 -9.483 -2.586 2.679
132 HD2 HIS 18 HD2 HIS 18 -11.975 -3.253 5.935
133 HE1 HIS 18 HE1 HIS 18 -9.810 -0.333 3.747
134 H VAL 19 H VAL 19 -9.510 -7.104 1.725
135 HA VAL 19 HA VAL 19 -10.357 -9.400 3.152
136 HB VAL 19 HB VAL 19 -9.064 -9.341 0.425
137 HG11 VAL 19 1HG1 VAL 19 -10.298 -11.387 0.032
138 HG12 VAL 19 2HG1 VAL 19 -9.288 -11.563 1.468
139 HG13 VAL 19 3HG1 VAL 19 -11.022 -11.289 1.637
140 HG21 VAL 19 3HG2 VAL 19 -11.573 -8.239 1.323
141 HG22 VAL 19 1HG2 VAL 19 -10.806 -8.141 -0.262
142 HG23 VAL 19 2HG2 VAL 19 -11.834 -9.518 0.136
143 H TRP 20 H TRP 20 -7.226 -8.535 1.694
144 HA TRP 20 HA TRP 20 -5.975 -10.754 3.141
145 HB2 TRP 20 2HB TRP 20 -4.953 -8.984 0.912
146 HB3 TRP 20 3HB TRP 20 -3.985 -10.221 1.711
147 HD1 TRP 20 HD1 TRP 20 -6.800 -9.787 -0.816
148 HE1 TRP 20 HE1 TRP 20 -7.230 -12.041 -1.981
149 HE3 TRP 20 HE3 TRP 20 -3.842 -12.778 2.089
150 HZ2 TRP 20 HZ2 TRP 20 -6.423 -14.732 -1.704
151 HZ3 TRP 20 HZ3 TRP 20 -3.727 -15.181 1.573
152 HH2 TRP 20 HH2 TRP 20 -4.992 -16.136 -0.285
Start of MODEL 17
1 H1 MET 1 H MET 1 1.716 0.202 0.953
2 HA MET 1 HA MET 1 1.271 0.035 -1.953
3 HB2 MET 1 2HB MET 1 1.856 2.350 -1.165
4 HB3 MET 1 3HB MET 1 3.401 1.711 -0.620
5 HG2 MET 1 2HG MET 1 3.601 0.874 -3.079
6 HG3 MET 1 3HG MET 1 2.388 2.114 -3.391
7 HE1 MET 1 3HE MET 1 4.431 3.936 -4.969
8 HE2 MET 1 1HE MET 1 5.966 3.144 -4.612
9 HE3 MET 1 2HE MET 1 4.535 2.175 -4.964
10 H THR 2 H THR 2 1.686 -2.275 -0.776
11 HA THR 2 HA THR 2 4.557 -2.844 -1.137
12 HB THR 2 HB THR 2 3.725 -3.220 1.188
13 HG1 THR 2 HG1 THR 2 5.354 -4.565 1.004
14 HG21 THR 2 3HG2 THR 2 1.445 -3.950 0.582
15 HG22 THR 2 1HG2 THR 2 2.257 -5.100 1.643
16 HG23 THR 2 2HG2 THR 2 2.117 -5.439 -0.083
17 H GLU 3 H GLU 3 1.275 -3.775 -1.888
18 HA GLU 3 HA GLU 3 2.236 -5.339 -4.135
19 HB2 GLU 3 2HB GLU 3 2.158 -7.105 -2.563
20 HB3 GLU 3 3HB GLU 3 0.652 -6.524 -1.866
21 HG2 GLU 3 2HG GLU 3 0.264 -8.506 -3.188
22 HG3 GLU 3 3HG GLU 3 -0.528 -7.113 -3.923
23 H TYR 4 H TYR 4 -0.828 -4.974 -2.346
24 HA TYR 4 HA TYR 4 -2.089 -4.128 -4.867
25 HB2 TYR 4 2HB TYR 4 -4.236 -4.708 -3.520
26 HB3 TYR 4 3HB TYR 4 -3.255 -6.019 -4.166
27 HD1 TYR 4 HD2 TYR 4 -3.565 -3.963 -1.059
28 HD2 TYR 4 HD1 TYR 4 -2.732 -7.773 -2.760
29 HE1 TYR 4 HE2 TYR 4 -3.371 -4.921 1.197
30 HE2 TYR 4 HE1 TYR 4 -2.537 -8.742 -0.508
31 HH TYR 4 HH TYR 4 -2.027 -7.114 2.157
32 H LYS 5 H LYS 5 -1.282 -3.148 -1.675
33 HA LYS 5 HA LYS 5 -3.207 -1.105 -1.318
34 HB2 LYS 5 2HB LYS 5 -0.493 -1.622 -0.126
35 HB3 LYS 5 3HB LYS 5 -1.419 -0.187 0.292
36 HG2 LYS 5 2HG LYS 5 -2.941 -1.349 1.506
37 HG3 LYS 5 3HG LYS 5 -2.803 -2.795 0.503
38 HD2 LYS 5 2HD LYS 5 -1.038 -3.616 1.690
39 HD3 LYS 5 3HD LYS 5 -0.432 -2.011 2.106
40 HE2 LYS 5 2HE LYS 5 -2.970 -3.139 3.261
41 HE3 LYS 5 3HE LYS 5 -1.393 -3.402 4.003
42 HZ1 LYS 5 3HZ LYS 5 -2.938 -0.918 3.759
43 HZ2 LYS 5 1HZ LYS 5 -1.250 -0.825 3.820
44 HZ3 LYS 5 2HZ LYS 5 -2.104 -1.537 5.094
45 H LEU 6 H LEU 6 -0.574 -1.362 -3.417
46 HA LEU 6 HA LEU 6 -0.028 1.479 -3.572
47 HB2 LEU 6 2HB LEU 6 1.533 0.860 -5.351
48 HB3 LEU 6 3HB LEU 6 1.801 -0.070 -3.878
49 HG LEU 6 HG LEU 6 0.126 -1.691 -5.354
50 HD11 LEU 6 1HD1 LEU 6 2.221 -0.669 -7.248
51 HD12 LEU 6 2HD1 LEU 6 0.559 -0.078 -7.263
52 HD13 LEU 6 3HD1 LEU 6 0.891 -1.782 -7.575
53 HD21 LEU 6 3HD2 LEU 6 3.118 -1.633 -5.039
54 HD22 LEU 6 1HD2 LEU 6 2.251 -2.979 -5.780
55 HD23 LEU 6 2HD2 LEU 6 1.941 -2.550 -4.097
56 H VAL 7 H VAL 7 -2.168 -0.770 -4.995
57 HA VAL 7 HA VAL 7 -2.785 1.113 -7.176
58 HB VAL 7 HB VAL 7 -3.421 -1.835 -6.994
59 HG11 VAL 7 1HG1 VAL 7 -3.840 -1.185 -9.572
60 HG12 VAL 7 2HG1 VAL 7 -5.113 -1.202 -8.350
61 HG13 VAL 7 3HG1 VAL 7 -4.334 0.317 -8.792
62 HG21 VAL 7 3HG2 VAL 7 -1.212 -0.291 -8.208
63 HG22 VAL 7 1HG2 VAL 7 -1.235 -1.937 -7.575
64 HG23 VAL 7 2HG2 VAL 7 -1.886 -1.599 -9.178
65 H VAL 8 H VAL 8 -4.429 -1.271 -5.088
66 HA VAL 8 HA VAL 8 -7.007 -0.179 -5.438
67 HB VAL 8 HB VAL 8 -5.960 -1.856 -3.152
68 HG11 VAL 8 1HG1 VAL 8 -7.979 -0.860 -2.428
69 HG12 VAL 8 2HG1 VAL 8 -8.751 -1.113 -3.995
70 HG13 VAL 8 3HG1 VAL 8 -8.399 -2.490 -2.951
71 HG21 VAL 8 3HG2 VAL 8 -6.636 -3.762 -4.345
72 HG22 VAL 8 1HG2 VAL 8 -7.557 -2.811 -5.509
73 HG23 VAL 8 2HG2 VAL 8 -5.795 -2.766 -5.533
74 H VAL 9 H VAL 9 -4.830 0.003 -2.614
75 HA VAL 9 HA VAL 9 -6.417 2.083 -1.406
76 HB VAL 9 HB VAL 9 -3.674 1.152 -0.561
77 HG11 VAL 9 1HG1 VAL 9 -5.545 3.095 0.444
78 HG12 VAL 9 2HG1 VAL 9 -5.253 1.833 1.642
79 HG13 VAL 9 3HG1 VAL 9 -3.899 2.745 0.973
80 HG21 VAL 9 3HG2 VAL 9 -5.203 -0.759 -0.747
81 HG22 VAL 9 1HG2 VAL 9 -4.791 -0.413 0.933
82 HG23 VAL 9 2HG2 VAL 9 -6.361 0.072 0.292
83 H GLY 10 H GLY 10 -3.625 1.890 -3.452
84 HA2 GLY 10 2HA GLY 10 -2.501 4.427 -2.872
85 HA3 GLY 10 3HA GLY 10 -2.234 3.491 -4.335
86 H ALA 11 H ALA 11 -5.287 3.500 -4.657
87 HA ALA 11 HA ALA 11 -5.354 5.969 -6.197
88 HB1 ALA 11 1HB ALA 11 -7.745 4.284 -6.239
89 HB2 ALA 11 2HB ALA 11 -6.776 4.916 -7.570
90 HB3 ALA 11 3HB ALA 11 -6.268 3.453 -6.727
91 H GLY 12 H GLY 12 -7.226 4.374 -3.630
92 HA2 GLY 12 2HA GLY 12 -7.852 6.809 -2.336
93 HA3 GLY 12 3HA GLY 12 -9.217 6.302 -3.319
94 H GLY 13 H GLY 13 -8.997 3.518 -2.994
95 HA2 GLY 13 2HA GLY 13 -8.732 2.062 -0.937
96 HA3 GLY 13 3HA GLY 13 -9.700 3.291 -0.136
97 H VAL 14 H VAL 14 -9.713 0.640 -2.396
98 HA VAL 14 HA VAL 14 -12.558 0.856 -2.905
99 HB VAL 14 HB VAL 14 -10.712 -1.412 -3.655
100 HG11 VAL 14 1HG1 VAL 14 -13.336 -0.523 -4.847
101 HG12 VAL 14 2HG1 VAL 14 -12.374 -1.917 -5.340
102 HG13 VAL 14 3HG1 VAL 14 -13.132 -1.886 -3.748
103 HG21 VAL 14 3HG2 VAL 14 -10.503 -0.312 -5.840
104 HG22 VAL 14 1HG2 VAL 14 -11.408 1.070 -5.222
105 HG23 VAL 14 2HG2 VAL 14 -9.829 0.675 -4.543
106 H GLY 15 H GLY 15 -10.364 -1.127 -0.987
107 HA2 GLY 15 2HA GLY 15 -11.197 -1.953 1.151
108 HA3 GLY 15 3HA GLY 15 -12.731 -2.275 0.355
109 H LYS 16 H LYS 16 -9.880 -3.026 -1.408
110 HA LYS 16 HA LYS 16 -10.563 -5.813 -1.448
111 HB2 LYS 16 2HB LYS 16 -8.124 -4.438 -2.588
112 HB3 LYS 16 3HB LYS 16 -8.702 -6.047 -2.999
113 HG2 LYS 16 2HG LYS 16 -10.094 -3.439 -3.569
114 HG3 LYS 16 3HG LYS 16 -9.297 -4.493 -4.739
115 HD2 LYS 16 2HD LYS 16 -11.705 -5.217 -3.070
116 HD3 LYS 16 3HD LYS 16 -11.733 -4.771 -4.777
117 HE2 LYS 16 2HE LYS 16 -10.181 -6.707 -5.193
118 HE3 LYS 16 3HE LYS 16 -10.460 -7.196 -3.523
119 HZ1 LYS 16 3HZ LYS 16 -12.602 -6.862 -5.551
120 HZ2 LYS 16 1HZ LYS 16 -12.781 -7.468 -3.982
121 HZ3 LYS 16 2HZ LYS 16 -11.904 -8.345 -5.133
122 H SER 17 H SER 17 -7.785 -3.936 -0.259
123 HA SER 17 HA SER 17 -6.231 -5.997 0.718
124 HB2 SER 17 2HB SER 17 -5.287 -3.825 0.728
125 HB3 SER 17 3HB SER 17 -6.612 -3.166 1.687
126 HG SER 17 HG SER 17 -5.781 -4.038 3.474
127 H HIS 18 H HIS 18 -9.136 -4.601 2.049
128 HA HIS 18 HA HIS 18 -9.000 -5.435 4.688
129 HB2 HIS 18 2HB HIS 18 -11.326 -5.108 2.804
130 HB3 HIS 18 3HB HIS 18 -11.560 -5.601 4.478
131 HD1 HIS 18 HD1 HIS 18 -9.302 -2.894 3.045
132 HD2 HIS 18 HD2 HIS 18 -12.453 -3.365 5.711
133 HE1 HIS 18 HE1 HIS 18 -9.657 -0.627 4.073
134 H VAL 19 H VAL 19 -9.588 -7.285 1.798
135 HA VAL 19 HA VAL 19 -10.637 -9.600 3.098
136 HB VAL 19 HB VAL 19 -9.351 -9.345 0.376
137 HG11 VAL 19 1HG1 VAL 19 -10.777 -11.428 -0.044
138 HG12 VAL 19 2HG1 VAL 19 -9.296 -11.628 0.894
139 HG13 VAL 19 3HG1 VAL 19 -10.858 -11.571 1.712
140 HG21 VAL 19 3HG2 VAL 19 -12.289 -9.472 1.010
141 HG22 VAL 19 1HG2 VAL 19 -11.413 -7.949 0.853
142 HG23 VAL 19 2HG2 VAL 19 -11.517 -9.053 -0.519
143 H TRP 20 H TRP 20 -7.446 -8.784 1.749
144 HA TRP 20 HA TRP 20 -6.314 -11.130 3.093
145 HB2 TRP 20 2HB TRP 20 -4.927 -9.277 1.150
146 HB3 TRP 20 3HB TRP 20 -4.403 -10.878 1.666
147 HD1 TRP 20 HD1 TRP 20 -6.920 -9.153 -0.646
148 HE1 TRP 20 HE1 TRP 20 -7.820 -10.888 -2.321
149 HE3 TRP 20 HE3 TRP 20 -4.824 -13.368 1.348
150 HZ2 TRP 20 HZ2 TRP 20 -7.662 -13.675 -2.740
151 HZ3 TRP 20 HZ3 TRP 20 -5.248 -15.528 0.251
152 HH2 TRP 20 HH2 TRP 20 -6.638 -15.677 -1.751
Start of MODEL 18
1 H1 MET 1 H MET 1 1.882 0.262 0.933
2 HA MET 1 HA MET 1 1.333 -0.039 -1.947
3 HB2 MET 1 2HB MET 1 1.849 2.303 -1.189
4 HB3 MET 1 3HB MET 1 3.444 1.735 -0.714
5 HG2 MET 1 2HG MET 1 3.578 0.901 -3.175
6 HG3 MET 1 3HG MET 1 2.288 2.072 -3.440
7 HE1 MET 1 3HE MET 1 5.729 3.512 -4.804
8 HE2 MET 1 1HE MET 1 4.686 2.107 -5.023
9 HE3 MET 1 2HE MET 1 4.020 3.733 -5.182
10 H THR 2 H THR 2 1.901 -2.324 -0.791
11 HA THR 2 HA THR 2 4.776 -2.766 -1.275
12 HB THR 2 HB THR 2 4.064 -3.172 1.085
13 HG1 THR 2 HG1 THR 2 5.838 -4.323 0.467
14 HG21 THR 2 3HG2 THR 2 1.798 -4.000 0.611
15 HG22 THR 2 1HG2 THR 2 2.716 -5.141 1.592
16 HG23 THR 2 2HG2 THR 2 2.487 -5.444 -0.130
17 H GLU 3 H GLU 3 1.512 -3.812 -1.912
18 HA GLU 3 HA GLU 3 2.439 -5.345 -4.188
19 HB2 GLU 3 2HB GLU 3 2.516 -7.113 -2.619
20 HB3 GLU 3 3HB GLU 3 1.019 -6.603 -1.851
21 HG2 GLU 3 2HG GLU 3 0.662 -8.601 -3.157
22 HG3 GLU 3 3HG GLU 3 -0.226 -7.247 -3.853
23 H TYR 4 H TYR 4 -0.554 -5.126 -2.259
24 HA TYR 4 HA TYR 4 -1.968 -4.339 -4.716
25 HB2 TYR 4 2HB TYR 4 -4.020 -5.023 -3.273
26 HB3 TYR 4 3HB TYR 4 -3.010 -6.284 -3.971
27 HD1 TYR 4 HD2 TYR 4 -3.275 -4.254 -0.843
28 HD2 TYR 4 HD1 TYR 4 -2.335 -8.013 -2.600
29 HE1 TYR 4 HE2 TYR 4 -2.929 -5.208 1.398
30 HE2 TYR 4 HE1 TYR 4 -1.989 -8.978 -0.364
31 HH TYR 4 HH TYR 4 -2.035 -6.985 2.524
32 H LYS 5 H LYS 5 -1.068 -3.330 -1.556
33 HA LYS 5 HA LYS 5 -3.068 -1.385 -1.097
34 HB2 LYS 5 2HB LYS 5 -0.270 -1.761 -0.054
35 HB3 LYS 5 3HB LYS 5 -1.245 -0.374 0.416
36 HG2 LYS 5 2HG LYS 5 -2.623 -1.607 1.720
37 HG3 LYS 5 3HG LYS 5 -2.496 -3.039 0.695
38 HD2 LYS 5 2HD LYS 5 -0.627 -3.801 1.757
39 HD3 LYS 5 3HD LYS 5 -0.058 -2.178 2.152
40 HE2 LYS 5 2HE LYS 5 -2.539 -3.211 3.447
41 HE3 LYS 5 3HE LYS 5 -0.971 -3.776 4.022
42 HZ1 LYS 5 3HZ LYS 5 -1.460 -0.891 3.704
43 HZ2 LYS 5 1HZ LYS 5 -0.380 -1.685 4.736
44 HZ3 LYS 5 2HZ LYS 5 -2.037 -1.692 5.077
45 H LEU 6 H LEU 6 -0.524 -1.502 -3.323
46 HA LEU 6 HA LEU 6 -0.146 1.364 -3.503
47 HB2 LEU 6 2HB LEU 6 1.362 0.835 -5.349
48 HB3 LEU 6 3HB LEU 6 1.743 -0.097 -3.903
49 HG LEU 6 HG LEU 6 0.094 -1.795 -5.303
50 HD11 LEU 6 1HD1 LEU 6 0.307 -0.127 -7.210
51 HD12 LEU 6 2HD1 LEU 6 0.698 -1.808 -7.570
52 HD13 LEU 6 3HD1 LEU 6 1.992 -0.636 -7.321
53 HD21 LEU 6 3HD2 LEU 6 3.098 -1.674 -5.515
54 HD22 LEU 6 1HD2 LEU 6 2.069 -3.100 -5.648
55 HD23 LEU 6 2HD2 LEU 6 2.227 -2.269 -4.100
56 H VAL 7 H VAL 7 -2.261 -0.976 -4.786
57 HA VAL 7 HA VAL 7 -3.071 0.854 -6.950
58 HB VAL 7 HB VAL 7 -3.562 -2.119 -6.715
59 HG11 VAL 7 1HG1 VAL 7 -4.417 -0.083 -8.755
60 HG12 VAL 7 2HG1 VAL 7 -4.338 -1.809 -9.115
61 HG13 VAL 7 3HG1 VAL 7 -5.418 -1.219 -7.851
62 HG21 VAL 7 3HG2 VAL 7 -2.159 -1.867 -8.967
63 HG22 VAL 7 1HG2 VAL 7 -1.512 -0.480 -8.090
64 HG23 VAL 7 2HG2 VAL 7 -1.392 -2.097 -7.395
65 H VAL 8 H VAL 8 -4.480 -1.569 -4.739
66 HA VAL 8 HA VAL 8 -7.124 -0.605 -4.963
67 HB VAL 8 HB VAL 8 -5.882 -2.201 -2.718
68 HG11 VAL 8 1HG1 VAL 8 -8.512 -1.078 -3.061
69 HG12 VAL 8 2HG1 VAL 8 -8.586 -2.839 -2.990
70 HG13 VAL 8 3HG1 VAL 8 -7.829 -1.934 -1.679
71 HG21 VAL 8 3HG2 VAL 8 -7.209 -4.047 -4.008
72 HG22 VAL 8 1HG2 VAL 8 -7.034 -2.940 -5.370
73 HG23 VAL 8 2HG2 VAL 8 -5.602 -3.566 -4.553
74 H VAL 9 H VAL 9 -4.814 -0.297 -2.258
75 HA VAL 9 HA VAL 9 -6.424 1.723 -0.985
76 HB VAL 9 HB VAL 9 -3.597 0.928 -0.290
77 HG11 VAL 9 1HG1 VAL 9 -3.792 2.496 1.269
78 HG12 VAL 9 2HG1 VAL 9 -5.456 2.827 0.783
79 HG13 VAL 9 3HG1 VAL 9 -5.118 1.577 1.981
80 HG21 VAL 9 3HG2 VAL 9 -4.573 -0.653 1.299
81 HG22 VAL 9 1HG2 VAL 9 -6.186 -0.259 0.704
82 HG23 VAL 9 2HG2 VAL 9 -5.025 -1.056 -0.357
83 H GLY 10 H GLY 10 -3.723 1.636 -3.165
84 HA2 GLY 10 2HA GLY 10 -2.678 4.216 -2.681
85 HA3 GLY 10 3HA GLY 10 -2.486 3.292 -4.164
86 H ALA 11 H ALA 11 -5.558 3.193 -4.246
87 HA ALA 11 HA ALA 11 -5.830 5.674 -5.752
88 HB1 ALA 11 1HB ALA 11 -8.191 4.037 -5.785
89 HB2 ALA 11 2HB ALA 11 -7.114 4.478 -7.111
90 HB3 ALA 11 3HB ALA 11 -6.761 3.060 -6.123
91 H GLY 12 H GLY 12 -7.684 3.888 -3.277
92 HA2 GLY 12 2HA GLY 12 -8.165 5.995 -1.569
93 HA3 GLY 12 3HA GLY 12 -9.449 6.075 -2.766
94 H GLY 13 H GLY 13 -7.943 3.124 -1.556
95 HA2 GLY 13 2HA GLY 13 -8.810 1.345 -0.394
96 HA3 GLY 13 3HA GLY 13 -9.842 2.509 0.424
97 H VAL 14 H VAL 14 -9.543 0.727 -2.637
98 HA VAL 14 HA VAL 14 -12.167 1.105 -3.528
99 HB VAL 14 HB VAL 14 -10.487 -1.353 -4.028
100 HG11 VAL 14 1HG1 VAL 14 -12.309 -0.122 -6.033
101 HG12 VAL 14 2HG1 VAL 14 -11.843 -1.810 -5.814
102 HG13 VAL 14 3HG1 VAL 14 -13.015 -1.068 -4.724
103 HG21 VAL 14 3HG2 VAL 14 -10.160 1.432 -4.918
104 HG22 VAL 14 1HG2 VAL 14 -8.981 0.124 -4.817
105 HG23 VAL 14 2HG2 VAL 14 -10.078 0.218 -6.195
106 H GLY 15 H GLY 15 -10.795 -1.250 -1.304
107 HA2 GLY 15 2HA GLY 15 -12.254 -2.071 0.471
108 HA3 GLY 15 3HA GLY 15 -13.542 -2.163 -0.722
109 H LYS 16 H LYS 16 -10.405 -3.169 -1.710
110 HA LYS 16 HA LYS 16 -11.317 -5.965 -1.644
111 HB2 LYS 16 2HB LYS 16 -9.113 -4.842 -3.371
112 HB3 LYS 16 3HB LYS 16 -9.942 -6.383 -3.547
113 HG2 LYS 16 2HG LYS 16 -11.260 -3.698 -3.889
114 HG3 LYS 16 3HG LYS 16 -10.618 -4.677 -5.210
115 HD2 LYS 16 2HD LYS 16 -12.472 -5.906 -5.263
116 HD3 LYS 16 3HD LYS 16 -12.326 -6.275 -3.544
117 HE2 LYS 16 2HE LYS 16 -14.284 -5.154 -3.432
118 HE3 LYS 16 3HE LYS 16 -13.221 -3.749 -3.389
119 HZ1 LYS 16 3HZ LYS 16 -15.014 -4.644 -5.476
120 HZ2 LYS 16 1HZ LYS 16 -13.500 -4.123 -6.021
121 HZ3 LYS 16 2HZ LYS 16 -14.473 -3.085 -5.107
122 H SER 17 H SER 17 -8.453 -3.921 -1.170
123 HA SER 17 HA SER 17 -6.659 -5.867 -0.342
124 HB2 SER 17 2HB SER 17 -5.617 -3.835 -0.622
125 HB3 SER 17 3HB SER 17 -6.932 -2.935 0.134
126 HG SER 17 HG SER 17 -5.999 -3.157 2.011
127 H HIS 18 H HIS 18 -9.326 -4.424 1.358
128 HA HIS 18 HA HIS 18 -8.663 -4.922 4.001
129 HB2 HIS 18 2HB HIS 18 -11.391 -5.168 2.714
130 HB3 HIS 18 3HB HIS 18 -11.084 -4.988 4.439
131 HD1 HIS 18 HD1 HIS 18 -8.721 -2.781 3.545
132 HD2 HIS 18 HD2 HIS 18 -12.831 -2.690 2.945
133 HE1 HIS 18 HE1 HIS 18 -9.300 -0.355 3.224
134 H VAL 19 H VAL 19 -9.637 -7.136 1.498
135 HA VAL 19 HA VAL 19 -10.437 -9.315 3.074
136 HB VAL 19 HB VAL 19 -9.093 -9.368 0.368
137 HG11 VAL 19 1HG1 VAL 19 -8.963 -11.563 1.028
138 HG12 VAL 19 2HG1 VAL 19 -10.403 -11.458 2.042
139 HG13 VAL 19 3HG1 VAL 19 -10.563 -11.538 0.287
140 HG21 VAL 19 3HG2 VAL 19 -11.161 -7.999 0.482
141 HG22 VAL 19 1HG2 VAL 19 -11.310 -9.409 -0.567
142 HG23 VAL 19 2HG2 VAL 19 -12.033 -9.427 1.042
143 H TRP 20 H TRP 20 -7.249 -8.416 1.801
144 HA TRP 20 HA TRP 20 -6.012 -10.628 3.243
145 HB2 TRP 20 2HB TRP 20 -4.821 -8.559 1.384
146 HB3 TRP 20 3HB TRP 20 -3.934 -9.898 2.105
147 HD1 TRP 20 HD1 TRP 20 -6.423 -9.098 -0.659
148 HE1 TRP 20 HE1 TRP 20 -6.677 -11.161 -2.178
149 HE3 TRP 20 HE3 TRP 20 -3.809 -12.489 2.135
150 HZ2 TRP 20 HZ2 TRP 20 -5.875 -13.867 -2.189
151 HZ3 TRP 20 HZ3 TRP 20 -3.599 -14.794 1.299
152 HH2 TRP 20 HH2 TRP 20 -4.612 -15.467 -0.818
Start of MODEL 19
1 H1 MET 1 H MET 1 1.620 0.237 1.183
2 HA MET 1 HA MET 1 1.304 -0.018 -1.737
3 HB2 MET 1 2HB MET 1 1.707 2.314 -0.901
4 HB3 MET 1 3HB MET 1 3.267 1.771 -0.296
5 HG2 MET 1 2HG MET 1 3.588 0.973 -2.775
6 HG3 MET 1 3HG MET 1 2.356 2.192 -3.093
7 HE1 MET 1 3HE MET 1 4.093 5.348 -3.263
8 HE2 MET 1 1HE MET 1 2.694 4.316 -3.557
9 HE3 MET 1 2HE MET 1 2.950 5.019 -1.960
10 H THR 2 H THR 2 1.831 -2.319 -0.590
11 HA THR 2 HA THR 2 4.743 -2.693 -0.863
12 HB THR 2 HB THR 2 3.862 -3.168 1.426
13 HG1 THR 2 HG1 THR 2 4.740 -5.559 0.169
14 HG21 THR 2 3HG2 THR 2 1.657 -4.028 0.765
15 HG22 THR 2 1HG2 THR 2 2.523 -5.177 1.785
16 HG23 THR 2 2HG2 THR 2 2.430 -5.440 0.043
17 H GLU 3 H GLU 3 1.564 -3.761 -1.795
18 HA GLU 3 HA GLU 3 2.692 -5.227 -4.020
19 HB2 GLU 3 2HB GLU 3 2.692 -7.031 -2.487
20 HB3 GLU 3 3HB GLU 3 1.126 -6.576 -1.830
21 HG2 GLU 3 2HG GLU 3 0.920 -8.546 -3.206
22 HG3 GLU 3 3HG GLU 3 0.062 -7.194 -3.943
23 H TYR 4 H TYR 4 -0.444 -5.139 -2.322
24 HA TYR 4 HA TYR 4 -1.686 -4.310 -4.857
25 HB2 TYR 4 2HB TYR 4 -3.824 -5.081 -3.593
26 HB3 TYR 4 3HB TYR 4 -2.734 -6.297 -4.248
27 HD1 TYR 4 HD2 TYR 4 -3.286 -4.370 -1.093
28 HD2 TYR 4 HD1 TYR 4 -2.117 -8.051 -2.878
29 HE1 TYR 4 HE2 TYR 4 -3.085 -5.382 1.140
30 HE2 TYR 4 HE1 TYR 4 -1.915 -9.074 -0.651
31 HH TYR 4 HH TYR 4 -1.493 -7.706 1.970
32 H LYS 5 H LYS 5 -1.059 -3.375 -1.609
33 HA LYS 5 HA LYS 5 -3.133 -1.497 -1.238
34 HB2 LYS 5 2HB LYS 5 -0.395 -1.814 -0.030
35 HB3 LYS 5 3HB LYS 5 -1.440 -0.469 0.409
36 HG2 LYS 5 2HG LYS 5 -2.858 -1.774 1.595
37 HG3 LYS 5 3HG LYS 5 -2.622 -3.176 0.548
38 HD2 LYS 5 2HD LYS 5 -0.799 -3.906 1.708
39 HD3 LYS 5 3HD LYS 5 -0.310 -2.276 2.178
40 HE2 LYS 5 2HE LYS 5 -2.395 -2.282 3.662
41 HE3 LYS 5 3HE LYS 5 -2.436 -4.022 3.386
42 HZ1 LYS 5 3HZ LYS 5 0.120 -2.924 4.224
43 HZ2 LYS 5 1HZ LYS 5 -0.647 -4.360 4.685
44 HZ3 LYS 5 2HZ LYS 5 -1.109 -2.892 5.385
45 H LEU 6 H LEU 6 -0.430 -1.473 -3.282
46 HA LEU 6 HA LEU 6 -0.155 1.408 -3.380
47 HB2 LEU 6 2HB LEU 6 1.502 0.978 -5.120
48 HB3 LEU 6 3HB LEU 6 1.814 0.030 -3.667
49 HG LEU 6 HG LEU 6 0.340 -1.698 -5.218
50 HD11 LEU 6 1HD1 LEU 6 2.335 -0.424 -7.064
51 HD12 LEU 6 2HD1 LEU 6 0.628 0.015 -7.072
52 HD13 LEU 6 3HD1 LEU 6 1.113 -1.642 -7.433
53 HD21 LEU 6 3HD2 LEU 6 3.122 -1.358 -4.376
54 HD22 LEU 6 1HD2 LEU 6 2.918 -2.363 -5.811
55 HD23 LEU 6 2HD2 LEU 6 2.081 -2.781 -4.316
56 H VAL 7 H VAL 7 -2.094 -0.970 -4.842
57 HA VAL 7 HA VAL 7 -2.796 0.858 -7.044
58 HB VAL 7 HB VAL 7 -3.316 -2.113 -6.875
59 HG11 VAL 7 1HG1 VAL 7 -3.909 -0.021 -8.936
60 HG12 VAL 7 2HG1 VAL 7 -3.703 -1.713 -9.393
61 HG13 VAL 7 3HG1 VAL 7 -4.975 -1.252 -8.261
62 HG21 VAL 7 3HG2 VAL 7 -1.161 -0.528 -8.245
63 HG22 VAL 7 1HG2 VAL 7 -0.990 -1.889 -7.137
64 HG23 VAL 7 2HG2 VAL 7 -1.610 -2.151 -8.767
65 H VAL 8 H VAL 8 -4.298 -1.599 -4.934
66 HA VAL 8 HA VAL 8 -6.944 -0.707 -5.343
67 HB VAL 8 HB VAL 8 -5.810 -2.255 -3.008
68 HG11 VAL 8 1HG1 VAL 8 -8.485 -1.270 -3.614
69 HG12 VAL 8 2HG1 VAL 8 -8.431 -3.011 -3.334
70 HG13 VAL 8 3HG1 VAL 8 -7.824 -1.900 -2.106
71 HG21 VAL 8 3HG2 VAL 8 -6.562 -2.987 -5.759
72 HG22 VAL 8 1HG2 VAL 8 -5.443 -3.765 -4.640
73 HG23 VAL 8 2HG2 VAL 8 -7.177 -4.051 -4.495
74 H VAL 9 H VAL 9 -4.823 -0.304 -2.500
75 HA VAL 9 HA VAL 9 -6.575 1.692 -1.371
76 HB VAL 9 HB VAL 9 -3.806 0.939 -0.436
77 HG11 VAL 9 1HG1 VAL 9 -6.135 2.079 1.100
78 HG12 VAL 9 2HG1 VAL 9 -4.491 1.822 1.686
79 HG13 VAL 9 3HG1 VAL 9 -4.808 3.040 0.450
80 HG21 VAL 9 3HG2 VAL 9 -5.078 -0.531 1.190
81 HG22 VAL 9 1HG2 VAL 9 -6.471 -0.337 0.125
82 HG23 VAL 9 2HG2 VAL 9 -4.999 -1.100 -0.477
83 H GLY 10 H GLY 10 -3.667 1.617 -3.281
84 HA2 GLY 10 2HA GLY 10 -2.680 4.194 -2.753
85 HA3 GLY 10 3HA GLY 10 -2.407 3.283 -4.232
86 H ALA 11 H ALA 11 -5.471 3.195 -4.485
87 HA ALA 11 HA ALA 11 -5.647 5.619 -6.065
88 HB1 ALA 11 1HB ALA 11 -8.110 4.234 -6.091
89 HB2 ALA 11 2HB ALA 11 -6.886 4.312 -7.359
90 HB3 ALA 11 3HB ALA 11 -6.825 3.026 -6.154
91 H GLY 12 H GLY 12 -7.345 4.153 -3.308
92 HA2 GLY 12 2HA GLY 12 -7.809 6.524 -1.944
93 HA3 GLY 12 3HA GLY 12 -9.205 6.275 -2.982
94 H GLY 13 H GLY 13 -9.218 3.411 -2.832
95 HA2 GLY 13 2HA GLY 13 -9.185 1.889 -0.777
96 HA3 GLY 13 3HA GLY 13 -10.201 3.134 -0.066
97 H VAL 14 H VAL 14 -10.020 0.612 -2.493
98 HA VAL 14 HA VAL 14 -12.786 0.906 -3.269
99 HB VAL 14 HB VAL 14 -10.901 -1.368 -3.898
100 HG11 VAL 14 1HG1 VAL 14 -13.575 -0.519 -4.952
101 HG12 VAL 14 2HG1 VAL 14 -12.467 -1.477 -5.936
102 HG13 VAL 14 3HG1 VAL 14 -13.053 -2.109 -4.396
103 HG21 VAL 14 3HG2 VAL 14 -11.116 0.162 -6.169
104 HG22 VAL 14 1HG2 VAL 14 -11.015 1.372 -4.889
105 HG23 VAL 14 2HG2 VAL 14 -9.746 0.158 -5.058
106 H GLY 15 H GLY 15 -10.865 -1.321 -1.297
107 HA2 GLY 15 2HA GLY 15 -11.901 -2.207 0.724
108 HA3 GLY 15 3HA GLY 15 -13.398 -2.353 -0.185
109 H LYS 16 H LYS 16 -10.504 -3.224 -1.816
110 HA LYS 16 HA LYS 16 -11.318 -6.037 -1.701
111 HB2 LYS 16 2HB LYS 16 -9.278 -4.829 -3.563
112 HB3 LYS 16 3HB LYS 16 -10.132 -6.356 -3.739
113 HG2 LYS 16 2HG LYS 16 -11.435 -3.644 -3.845
114 HG3 LYS 16 3HG LYS 16 -10.950 -4.589 -5.255
115 HD2 LYS 16 2HD LYS 16 -13.057 -5.373 -5.159
116 HD3 LYS 16 3HD LYS 16 -12.416 -6.416 -3.887
117 HE2 LYS 16 2HE LYS 16 -13.442 -5.249 -2.226
118 HE3 LYS 16 3HE LYS 16 -13.328 -3.714 -3.085
119 HZ1 LYS 16 3HZ LYS 16 -15.571 -5.223 -2.821
120 HZ2 LYS 16 1HZ LYS 16 -15.055 -5.592 -4.390
121 HZ3 LYS 16 2HZ LYS 16 -15.345 -3.985 -3.951
122 H SER 17 H SER 17 -8.262 -4.192 -1.787
123 HA SER 17 HA SER 17 -6.560 -6.209 -0.975
124 HB2 SER 17 2HB SER 17 -5.323 -4.389 -1.571
125 HB3 SER 17 3HB SER 17 -6.490 -3.247 -0.905
126 HG SER 17 HG SER 17 -4.974 -3.081 0.572
127 H HIS 18 H HIS 18 -8.759 -4.282 0.922
128 HA HIS 18 HA HIS 18 -7.763 -4.596 3.477
129 HB2 HIS 18 2HB HIS 18 -10.600 -4.503 2.462
130 HB3 HIS 18 3HB HIS 18 -10.221 -4.563 4.181
131 HD1 HIS 18 HD1 HIS 18 -9.146 -2.415 1.218
132 HD2 HIS 18 HD2 HIS 18 -10.119 -2.091 5.244
133 HE1 HIS 18 HE1 HIS 18 -8.996 0.038 1.750
134 H VAL 19 H VAL 19 -9.342 -6.932 1.426
135 HA VAL 19 HA VAL 19 -10.115 -8.844 3.293
136 HB VAL 19 HB VAL 19 -9.031 -9.326 0.513
137 HG11 VAL 19 1HG1 VAL 19 -10.944 -11.252 1.160
138 HG12 VAL 19 2HG1 VAL 19 -9.201 -11.488 1.007
139 HG13 VAL 19 3HG1 VAL 19 -9.909 -11.129 2.583
140 HG21 VAL 19 3HG2 VAL 19 -10.987 -8.645 -0.323
141 HG22 VAL 19 1HG2 VAL 19 -11.906 -9.516 0.905
142 HG23 VAL 19 2HG2 VAL 19 -11.279 -7.904 1.250
143 H TRP 20 H TRP 20 -6.996 -8.454 1.637
144 HA TRP 20 HA TRP 20 -5.837 -10.545 3.320
145 HB2 TRP 20 2HB TRP 20 -4.469 -9.002 1.113
146 HB3 TRP 20 3HB TRP 20 -3.967 -10.531 1.829
147 HD1 TRP 20 HD1 TRP 20 -6.384 -9.072 -0.729
148 HE1 TRP 20 HE1 TRP 20 -7.394 -10.995 -2.111
149 HE3 TRP 20 HE3 TRP 20 -4.594 -13.032 1.963
150 HZ2 TRP 20 HZ2 TRP 20 -7.427 -13.817 -2.065
151 HZ3 TRP 20 HZ3 TRP 20 -5.161 -15.311 1.227
152 HH2 TRP 20 HH2 TRP 20 -6.548 -15.693 -0.745
Start of MODEL 20
1 H1 MET 1 H MET 1 1.527 0.126 1.226
2 HA MET 1 HA MET 1 1.233 -0.062 -1.701
3 HB2 MET 1 2HB MET 1 1.645 2.249 -0.809
4 HB3 MET 1 3HB MET 1 3.199 1.682 -0.211
5 HG2 MET 1 2HG MET 1 3.563 0.948 -2.685
6 HG3 MET 1 3HG MET 1 2.296 2.129 -3.013
7 HE1 MET 1 3HE MET 1 5.217 4.000 -4.274
8 HE2 MET 1 1HE MET 1 3.745 3.071 -4.557
9 HE3 MET 1 2HE MET 1 3.642 4.716 -3.929
10 H THR 2 H THR 2 1.732 -2.392 -0.625
11 HA THR 2 HA THR 2 4.645 -2.779 -0.868
12 HB THR 2 HB THR 2 3.735 -3.300 1.400
13 HG1 THR 2 HG1 THR 2 5.454 -4.532 1.235
14 HG21 THR 2 3HG2 THR 2 2.354 -5.256 1.723
15 HG22 THR 2 1HG2 THR 2 2.343 -5.579 -0.010
16 HG23 THR 2 2HG2 THR 2 1.533 -4.147 0.625
17 H GLU 3 H GLU 3 1.459 -3.866 -1.801
18 HA GLU 3 HA GLU 3 2.606 -5.276 -4.063
19 HB2 GLU 3 2HB GLU 3 2.559 -7.108 -2.567
20 HB3 GLU 3 3HB GLU 3 0.994 -6.640 -1.917
21 HG2 GLU 3 2HG GLU 3 0.779 -8.585 -3.333
22 HG3 GLU 3 3HG GLU 3 -0.061 -7.209 -4.046
23 H TYR 4 H TYR 4 -0.551 -5.158 -2.406
24 HA TYR 4 HA TYR 4 -1.746 -4.280 -4.947
25 HB2 TYR 4 2HB TYR 4 -3.913 -5.032 -3.723
26 HB3 TYR 4 3HB TYR 4 -2.832 -6.259 -4.375
27 HD1 TYR 4 HD2 TYR 4 -3.394 -4.355 -1.206
28 HD2 TYR 4 HD1 TYR 4 -2.269 -8.038 -3.016
29 HE1 TYR 4 HE2 TYR 4 -3.243 -5.395 1.017
30 HE2 TYR 4 HE1 TYR 4 -2.116 -9.089 -0.798
31 HH TYR 4 HH TYR 4 -2.907 -7.276 2.151
32 H LYS 5 H LYS 5 -1.141 -3.392 -1.683
33 HA LYS 5 HA LYS 5 -3.192 -1.475 -1.335
34 HB2 LYS 5 2HB LYS 5 -0.497 -1.869 -0.049
35 HB3 LYS 5 3HB LYS 5 -1.542 -0.524 0.390
36 HG2 LYS 5 2HG LYS 5 -3.037 -1.853 1.469
37 HG3 LYS 5 3HG LYS 5 -2.720 -3.244 0.430
38 HD2 LYS 5 2HD LYS 5 -1.866 -3.754 2.600
39 HD3 LYS 5 3HD LYS 5 -0.485 -3.455 1.541
40 HE2 LYS 5 2HE LYS 5 0.083 -2.257 3.434
41 HE3 LYS 5 3HE LYS 5 -0.665 -1.021 2.424
42 HZ1 LYS 5 3HZ LYS 5 -2.645 -2.282 3.977
43 HZ2 LYS 5 1HZ LYS 5 -2.162 -0.661 3.993
44 HZ3 LYS 5 2HZ LYS 5 -1.391 -1.783 4.996
45 H LEU 6 H LEU 6 -0.458 -1.495 -3.321
46 HA LEU 6 HA LEU 6 -0.093 1.381 -3.351
47 HB2 LEU 6 2HB LEU 6 1.607 0.939 -5.041
48 HB3 LEU 6 3HB LEU 6 1.845 -0.053 -3.604
49 HG LEU 6 HG LEU 6 0.375 -1.703 -5.236
50 HD11 LEU 6 1HD1 LEU 6 1.196 -1.608 -7.430
51 HD12 LEU 6 2HD1 LEU 6 2.448 -0.443 -7.004
52 HD13 LEU 6 3HD1 LEU 6 0.757 0.054 -7.038
53 HD21 LEU 6 3HD2 LEU 6 2.365 -2.989 -5.397
54 HD22 LEU 6 1HD2 LEU 6 2.415 -2.163 -3.840
55 HD23 LEU 6 2HD2 LEU 6 3.383 -1.563 -5.187
56 H VAL 7 H VAL 7 -2.032 -0.933 -4.925
57 HA VAL 7 HA VAL 7 -2.638 0.963 -7.099
58 HB VAL 7 HB VAL 7 -3.119 -2.019 -7.011
59 HG11 VAL 7 1HG1 VAL 7 -3.636 -1.624 -9.475
60 HG12 VAL 7 2HG1 VAL 7 -4.858 -1.114 -8.307
61 HG13 VAL 7 3HG1 VAL 7 -3.794 0.081 -9.051
62 HG21 VAL 7 3HG2 VAL 7 -1.496 -1.645 -9.112
63 HG22 VAL 7 1HG2 VAL 7 -0.943 -0.328 -8.078
64 HG23 VAL 7 2HG2 VAL 7 -0.904 -1.990 -7.487
65 H VAL 8 H VAL 8 -4.248 -1.553 -5.143
66 HA VAL 8 HA VAL 8 -6.860 -0.571 -5.595
67 HB VAL 8 HB VAL 8 -5.865 -2.291 -3.319
68 HG11 VAL 8 1HG1 VAL 8 -7.935 -2.274 -2.521
69 HG12 VAL 8 2HG1 VAL 8 -8.381 -1.082 -3.743
70 HG13 VAL 8 3HG1 VAL 8 -8.567 -2.804 -4.080
71 HG21 VAL 8 3HG2 VAL 8 -6.595 -2.861 -6.139
72 HG22 VAL 8 1HG2 VAL 8 -5.390 -3.625 -5.103
73 HG23 VAL 8 2HG2 VAL 8 -7.097 -4.024 -4.912
74 H VAL 9 H VAL 9 -4.867 -0.447 -2.635
75 HA VAL 9 HA VAL 9 -6.596 1.492 -1.413
76 HB VAL 9 HB VAL 9 -3.827 0.693 -0.518
77 HG11 VAL 9 1HG1 VAL 9 -4.707 2.690 0.560
78 HG12 VAL 9 2HG1 VAL 9 -6.186 1.826 0.984
79 HG13 VAL 9 3HG1 VAL 9 -4.646 1.345 1.698
80 HG21 VAL 9 3HG2 VAL 9 -6.474 -0.584 0.167
81 HG22 VAL 9 1HG2 VAL 9 -5.200 -1.301 -0.820
82 HG23 VAL 9 2HG2 VAL 9 -4.917 -0.985 0.892
83 H GLY 10 H GLY 10 -3.711 1.570 -3.343
84 HA2 GLY 10 2HA GLY 10 -2.707 4.093 -2.631
85 HA3 GLY 10 3HA GLY 10 -2.467 3.305 -4.184
86 H ALA 11 H ALA 11 -5.524 3.239 -4.410
87 HA ALA 11 HA ALA 11 -5.724 5.788 -5.771
88 HB1 ALA 11 1HB ALA 11 -6.779 4.363 -7.145
89 HB2 ALA 11 2HB ALA 11 -7.138 3.220 -5.850
90 HB3 ALA 11 3HB ALA 11 -8.164 4.635 -6.086
91 H GLY 12 H GLY 12 -7.295 4.122 -3.065
92 HA2 GLY 12 2HA GLY 12 -7.761 6.365 -1.525
93 HA3 GLY 12 3HA GLY 12 -9.179 6.199 -2.549
94 H GLY 13 H GLY 13 -9.213 3.342 -2.634
95 HA2 GLY 13 2HA GLY 13 -9.136 1.646 -0.723
96 HA3 GLY 13 3HA GLY 13 -10.112 2.834 0.128
97 H VAL 14 H VAL 14 -10.054 0.427 -2.385
98 HA VAL 14 HA VAL 14 -12.841 0.845 -3.079
99 HB VAL 14 HB VAL 14 -10.981 -1.360 -3.975
100 HG11 VAL 14 1HG1 VAL 14 -13.541 -0.367 -5.220
101 HG12 VAL 14 2HG1 VAL 14 -12.558 -1.733 -5.750
102 HG13 VAL 14 3HG1 VAL 14 -13.413 -1.806 -4.209
103 HG21 VAL 14 3HG2 VAL 14 -11.563 1.348 -5.154
104 HG22 VAL 14 1HG2 VAL 14 -10.001 0.678 -4.684
105 HG23 VAL 14 2HG2 VAL 14 -10.855 0.026 -6.082
106 H GLY 15 H GLY 15 -10.895 -1.321 -1.138
107 HA2 GLY 15 2HA GLY 15 -11.979 -2.347 0.789
108 HA3 GLY 15 3HA GLY 15 -13.387 -2.615 -0.228
109 H LYS 16 H LYS 16 -10.323 -3.171 -1.669
110 HA LYS 16 HA LYS 16 -10.894 -6.032 -1.748
111 HB2 LYS 16 2HB LYS 16 -8.676 -4.594 -3.196
112 HB3 LYS 16 3HB LYS 16 -9.385 -6.156 -3.582
113 HG2 LYS 16 2HG LYS 16 -10.800 -3.506 -3.788
114 HG3 LYS 16 3HG LYS 16 -10.090 -4.398 -5.135
115 HD2 LYS 16 2HD LYS 16 -12.187 -5.216 -5.336
116 HD3 LYS 16 3HD LYS 16 -11.649 -6.319 -4.067
117 HE2 LYS 16 2HE LYS 16 -12.852 -5.246 -2.437
118 HE3 LYS 16 3HE LYS 16 -12.799 -3.693 -3.269
119 HZ1 LYS 16 3HZ LYS 16 -14.898 -5.459 -3.230
120 HZ2 LYS 16 1HZ LYS 16 -14.235 -5.632 -4.777
121 HZ3 LYS 16 2HZ LYS 16 -14.736 -4.110 -4.237
122 H SER 17 H SER 17 -8.008 -3.993 -1.239
123 HA SER 17 HA SER 17 -6.308 -5.940 -0.273
124 HB2 SER 17 2HB SER 17 -5.267 -3.899 -0.675
125 HB3 SER 17 3HB SER 17 -6.503 -2.983 0.187
126 HG SER 17 HG SER 17 -5.298 -3.128 1.887
127 H HIS 18 H HIS 18 -8.924 -4.302 1.345
128 HA HIS 18 HA HIS 18 -8.328 -4.724 4.007
129 HB2 HIS 18 2HB HIS 18 -10.935 -4.682 2.509
130 HB3 HIS 18 3HB HIS 18 -10.896 -4.968 4.247
131 HD1 HIS 18 HD1 HIS 18 -8.788 -2.471 2.328
132 HD2 HIS 18 HD2 HIS 18 -11.826 -2.572 5.161
133 HE1 HIS 18 HE1 HIS 18 -9.088 -0.089 3.078
134 H VAL 19 H VAL 19 -9.373 -7.014 1.593
135 HA VAL 19 HA VAL 19 -10.173 -9.097 3.328
136 HB VAL 19 HB VAL 19 -9.042 -9.363 0.539
137 HG11 VAL 19 1HG1 VAL 19 -9.322 -11.546 0.816
138 HG12 VAL 19 2HG1 VAL 19 -9.912 -11.285 2.459
139 HG13 VAL 19 3HG1 VAL 19 -11.041 -11.277 1.103
140 HG21 VAL 19 3HG2 VAL 19 -10.927 -7.791 0.620
141 HG22 VAL 19 1HG2 VAL 19 -11.346 -9.273 -0.238
142 HG23 VAL 19 2HG2 VAL 19 -11.911 -9.021 1.414
143 H TRP 20 H TRP 20 -7.098 -8.471 1.651
144 HA TRP 20 HA TRP 20 -5.823 -10.550 3.275
145 HB2 TRP 20 2HB TRP 20 -4.592 -9.017 0.983
146 HB3 TRP 20 3HB TRP 20 -4.026 -10.524 1.699
147 HD1 TRP 20 HD1 TRP 20 -6.586 -9.154 -0.769
148 HE1 TRP 20 HE1 TRP 20 -7.619 -11.118 -2.073
149 HE3 TRP 20 HE3 TRP 20 -4.598 -13.035 1.900
150 HZ2 TRP 20 HZ2 TRP 20 -7.595 -13.939 -1.982
151 HZ3 TRP 20 HZ3 TRP 20 -5.153 -15.336 1.226
152 HH2 TRP 20 HH2 TRP 20 -6.621 -15.776 -0.675
Start of MODEL 21
1 H1 MET 1 H MET 1 0.886 0.556 -1.497
2 HA MET 1 HA MET 1 3.091 0.319 -3.051
3 HB2 MET 1 2HB MET 1 2.791 2.073 -1.354
4 HB3 MET 1 3HB MET 1 3.105 0.898 -0.083
5 HG2 MET 1 2HG MET 1 5.197 1.051 -2.121
6 HG3 MET 1 3HG MET 1 4.960 2.538 -1.204
7 HE1 MET 1 3HE MET 1 6.705 2.010 1.968
8 HE2 MET 1 1HE MET 1 6.254 3.052 0.617
9 HE3 MET 1 2HE MET 1 5.012 2.431 1.705
10 H THR 2 H THR 2 1.927 -2.077 -1.021
11 HA THR 2 HA THR 2 4.548 -3.374 -0.756
12 HB THR 2 HB THR 2 3.189 -3.186 1.304
13 HG1 THR 2 HG1 THR 2 3.201 -5.926 0.692
14 HG21 THR 2 3HG2 THR 2 1.160 -4.477 1.569
15 HG22 THR 2 1HG2 THR 2 1.288 -5.079 -0.083
16 HG23 THR 2 2HG2 THR 2 0.971 -3.369 0.210
17 H GLU 3 H GLU 3 1.432 -3.653 -2.288
18 HA GLU 3 HA GLU 3 2.366 -5.482 -4.222
19 HB2 GLU 3 2HB GLU 3 2.256 -7.197 -2.594
20 HB3 GLU 3 3HB GLU 3 0.724 -6.608 -1.964
21 HG2 GLU 3 2HG GLU 3 -0.413 -7.307 -3.979
22 HG3 GLU 3 3HG GLU 3 1.116 -7.819 -4.691
23 H TYR 4 H TYR 4 -0.748 -5.080 -2.529
24 HA TYR 4 HA TYR 4 -1.938 -4.303 -5.107
25 HB2 TYR 4 2HB TYR 4 -4.121 -4.904 -3.831
26 HB3 TYR 4 3HB TYR 4 -3.097 -6.206 -4.427
27 HD1 TYR 4 HD2 TYR 4 -3.549 -4.120 -1.356
28 HD2 TYR 4 HD1 TYR 4 -2.599 -7.935 -2.982
29 HE1 TYR 4 HE2 TYR 4 -3.420 -5.050 0.917
30 HE2 TYR 4 HE1 TYR 4 -2.468 -8.877 -0.714
31 HH TYR 4 HH TYR 4 -3.531 -7.131 2.063
32 H LYS 5 H LYS 5 -1.253 -3.274 -1.903
33 HA LYS 5 HA LYS 5 -3.214 -1.313 -1.521
34 HB2 LYS 5 2HB LYS 5 -0.426 -1.699 -0.490
35 HB3 LYS 5 3HB LYS 5 -1.292 -0.211 -0.129
36 HG2 LYS 5 2HG LYS 5 -2.670 -1.213 1.336
37 HG3 LYS 5 3HG LYS 5 -2.787 -2.692 0.378
38 HD2 LYS 5 2HD LYS 5 -0.946 -3.635 1.360
39 HD3 LYS 5 3HD LYS 5 -0.193 -2.074 1.699
40 HE2 LYS 5 2HE LYS 5 -2.669 -3.036 3.113
41 HE3 LYS 5 3HE LYS 5 -1.042 -3.376 3.700
42 HZ1 LYS 5 3HZ LYS 5 -1.876 -0.608 3.117
43 HZ2 LYS 5 1HZ LYS 5 -0.650 -1.156 4.147
44 HZ3 LYS 5 2HZ LYS 5 -2.272 -1.329 4.595
45 H LEU 6 H LEU 6 -0.574 -1.426 -3.689
46 HA LEU 6 HA LEU 6 -0.312 1.428 -4.004
47 HB2 LEU 6 2HB LEU 6 1.207 0.873 -5.832
48 HB3 LEU 6 3HB LEU 6 1.611 -0.003 -4.357
49 HG LEU 6 HG LEU 6 0.030 -1.808 -5.656
50 HD11 LEU 6 1HD1 LEU 6 1.774 -0.659 -7.807
51 HD12 LEU 6 2HD1 LEU 6 0.091 -0.167 -7.618
52 HD13 LEU 6 3HD1 LEU 6 0.485 -1.855 -7.945
53 HD21 LEU 6 3HD2 LEU 6 2.022 -3.042 -5.996
54 HD22 LEU 6 1HD2 LEU 6 2.279 -2.070 -4.547
55 HD23 LEU 6 2HD2 LEU 6 3.001 -1.577 -6.079
56 H VAL 7 H VAL 7 -2.450 -0.936 -5.113
57 HA VAL 7 HA VAL 7 -3.263 0.756 -7.387
58 HB VAL 7 HB VAL 7 -3.761 -2.196 -6.981
59 HG11 VAL 7 1HG1 VAL 7 -5.022 -0.223 -8.684
60 HG12 VAL 7 2HG1 VAL 7 -4.293 -1.530 -9.619
61 HG13 VAL 7 3HG1 VAL 7 -5.479 -1.896 -8.366
62 HG21 VAL 7 3HG2 VAL 7 -2.374 -2.042 -9.270
63 HG22 VAL 7 1HG2 VAL 7 -1.695 -0.652 -8.422
64 HG23 VAL 7 2HG2 VAL 7 -1.612 -2.257 -7.695
65 H VAL 8 H VAL 8 -4.639 -1.518 -5.005
66 HA VAL 8 HA VAL 8 -7.290 -0.573 -5.263
67 HB VAL 8 HB VAL 8 -6.069 -1.982 -2.887
68 HG11 VAL 8 1HG1 VAL 8 -8.825 -2.591 -3.497
69 HG12 VAL 8 2HG1 VAL 8 -8.104 -2.033 -1.987
70 HG13 VAL 8 3HG1 VAL 8 -8.597 -0.866 -3.214
71 HG21 VAL 8 3HG2 VAL 8 -7.449 -3.877 -4.279
72 HG22 VAL 8 1HG2 VAL 8 -6.755 -2.909 -5.579
73 HG23 VAL 8 2HG2 VAL 8 -5.704 -3.634 -4.363
74 H VAL 9 H VAL 9 -4.964 -0.112 -2.593
75 HA VAL 9 HA VAL 9 -6.555 1.979 -1.426
76 HB VAL 9 HB VAL 9 -3.707 1.252 -0.740
77 HG11 VAL 9 1HG1 VAL 9 -3.889 2.901 0.734
78 HG12 VAL 9 2HG1 VAL 9 -5.560 3.197 0.250
79 HG13 VAL 9 3HG1 VAL 9 -5.202 2.021 1.515
80 HG21 VAL 9 3HG2 VAL 9 -6.257 0.105 0.394
81 HG22 VAL 9 1HG2 VAL 9 -5.134 -0.741 -0.671
82 HG23 VAL 9 2HG2 VAL 9 -4.620 -0.253 0.944
83 H GLY 10 H GLY 10 -3.908 1.782 -3.660
84 HA2 GLY 10 2HA GLY 10 -2.885 4.403 -3.349
85 HA3 GLY 10 3HA GLY 10 -2.691 3.384 -4.768
86 H ALA 11 H ALA 11 -5.757 3.229 -4.825
87 HA ALA 11 HA ALA 11 -6.081 5.542 -6.548
88 HB1 ALA 11 1HB ALA 11 -6.901 3.044 -6.887
89 HB2 ALA 11 2HB ALA 11 -8.326 3.665 -6.052
90 HB3 ALA 11 3HB ALA 11 -7.786 4.417 -7.553
91 H GLY 12 H GLY 12 -7.328 4.312 -3.493
92 HA2 GLY 12 2HA GLY 12 -7.869 6.673 -2.269
93 HA3 GLY 12 3HA GLY 12 -9.306 6.398 -3.242
94 H GLY 13 H GLY 13 -8.895 3.420 -2.871
95 HA2 GLY 13 2HA GLY 13 -8.938 2.009 -0.835
96 HA3 GLY 13 3HA GLY 13 -9.897 3.280 -0.093
97 H VAL 14 H VAL 14 -9.898 0.596 -2.305
98 HA VAL 14 HA VAL 14 -12.714 0.918 -2.944
99 HB VAL 14 HB VAL 14 -10.840 -1.335 -3.677
100 HG11 VAL 14 1HG1 VAL 14 -13.679 -0.732 -4.274
101 HG12 VAL 14 2HG1 VAL 14 -12.694 -1.381 -5.586
102 HG13 VAL 14 3HG1 VAL 14 -12.865 -2.284 -4.081
103 HG21 VAL 14 3HG2 VAL 14 -10.948 1.347 -4.620
104 HG22 VAL 14 1HG2 VAL 14 -9.934 0.019 -5.185
105 HG23 VAL 14 2HG2 VAL 14 -11.523 0.282 -5.903
106 H GLY 15 H GLY 15 -10.648 -1.122 -0.955
107 HA2 GLY 15 2HA GLY 15 -11.588 -1.956 1.133
108 HA3 GLY 15 3HA GLY 15 -13.091 -2.241 0.268
109 H LYS 16 H LYS 16 -10.181 -3.031 -1.376
110 HA LYS 16 HA LYS 16 -10.887 -5.848 -1.280
111 HB2 LYS 16 2HB LYS 16 -8.681 -4.466 -2.817
112 HB3 LYS 16 3HB LYS 16 -9.225 -6.123 -3.044
113 HG2 LYS 16 2HG LYS 16 -10.812 -3.623 -3.585
114 HG3 LYS 16 3HG LYS 16 -10.119 -4.719 -4.783
115 HD2 LYS 16 2HD LYS 16 -12.250 -5.431 -2.766
116 HD3 LYS 16 3HD LYS 16 -12.522 -5.106 -4.480
117 HE2 LYS 16 2HE LYS 16 -10.794 -7.319 -3.376
118 HE3 LYS 16 3HE LYS 16 -12.442 -7.517 -3.969
119 HZ1 LYS 16 3HZ LYS 16 -9.989 -7.317 -5.438
120 HZ2 LYS 16 1HZ LYS 16 -11.174 -6.256 -6.012
121 HZ3 LYS 16 2HZ LYS 16 -11.494 -7.914 -5.928
122 H SER 17 H SER 17 -7.990 -3.867 -0.665
123 HA SER 17 HA SER 17 -6.299 -5.842 0.260
124 HB2 SER 17 2HB SER 17 -5.223 -3.813 0.033
125 HB3 SER 17 3HB SER 17 -6.539 -2.910 0.784
126 HG SER 17 HG SER 17 -5.208 -2.942 2.429
127 H HIS 18 H HIS 18 -8.984 -4.309 1.870
128 HA HIS 18 HA HIS 18 -8.455 -4.887 4.526
129 HB2 HIS 18 2HB HIS 18 -11.021 -4.706 2.967
130 HB3 HIS 18 3HB HIS 18 -11.031 -5.095 4.685
131 HD1 HIS 18 HD1 HIS 18 -9.506 -2.384 2.481
132 HD2 HIS 18 HD2 HIS 18 -11.267 -2.885 6.210
133 HE1 HIS 18 HE1 HIS 18 -9.614 -0.082 3.488
134 H VAL 19 H VAL 19 -9.425 -7.008 1.944
135 HA VAL 19 HA VAL 19 -10.225 -9.187 3.619
136 HB VAL 19 HB VAL 19 -9.371 -9.320 0.726
137 HG11 VAL 19 1HG1 VAL 19 -11.406 -11.137 1.205
138 HG12 VAL 19 2HG1 VAL 19 -9.688 -11.504 1.040
139 HG13 VAL 19 3HG1 VAL 19 -10.386 -11.246 2.640
140 HG21 VAL 19 3HG2 VAL 19 -11.914 -9.227 0.364
141 HG22 VAL 19 1HG2 VAL 19 -11.977 -8.524 1.981
142 HG23 VAL 19 2HG2 VAL 19 -11.070 -7.716 0.702
143 H TRP 20 H TRP 20 -7.339 -8.535 1.637
144 HA TRP 20 HA TRP 20 -5.958 -10.857 2.578
145 HB2 TRP 20 2HB TRP 20 -4.954 -8.420 1.092
146 HB3 TRP 20 3HB TRP 20 -4.006 -9.874 1.393
147 HD1 TRP 20 HD1 TRP 20 -6.925 -8.588 -0.723
148 HE1 TRP 20 HE1 TRP 20 -7.342 -10.250 -2.644
149 HE3 TRP 20 HE3 TRP 20 -3.741 -12.317 0.725
150 HZ2 TRP 20 HZ2 TRP 20 -6.440 -12.804 -3.440
151 HZ3 TRP 20 HZ3 TRP 20 -3.578 -14.336 -0.672
152 HH2 TRP 20 HH2 TRP 20 -4.901 -14.573 -2.710
Start of MODEL 22
1 H1 MET 1 H MET 1 1.476 0.439 1.341
2 HA MET 1 HA MET 1 1.358 0.094 -1.583
3 HB2 MET 1 2HB MET 1 1.718 2.452 -0.771
4 HB3 MET 1 3HB MET 1 3.246 1.915 -0.087
5 HG2 MET 1 2HG MET 1 3.767 1.095 -2.474
6 HG3 MET 1 3HG MET 1 2.449 2.161 -2.956
7 HE1 MET 1 3HE MET 1 3.585 5.623 -2.491
8 HE2 MET 1 1HE MET 1 3.444 4.669 -3.969
9 HE3 MET 1 2HE MET 1 2.269 4.461 -2.670
10 H THR 2 H THR 2 1.794 -2.168 -0.320
11 HA THR 2 HA THR 2 4.717 -2.558 -0.384
12 HB THR 2 HB THR 2 3.681 -2.953 1.854
13 HG1 THR 2 HG1 THR 2 5.240 -4.359 2.057
14 HG21 THR 2 3HG2 THR 2 2.324 -4.968 2.178
15 HG22 THR 2 1HG2 THR 2 2.321 -5.249 0.438
16 HG23 THR 2 2HG2 THR 2 1.521 -3.825 1.102
17 H GLU 3 H GLU 3 1.597 -3.676 -1.468
18 HA GLU 3 HA GLU 3 2.870 -5.214 -3.567
19 HB2 GLU 3 2HB GLU 3 2.751 -6.963 -1.976
20 HB3 GLU 3 3HB GLU 3 1.149 -6.476 -1.443
21 HG2 GLU 3 2HG GLU 3 1.022 -8.494 -2.759
22 HG3 GLU 3 3HG GLU 3 0.224 -7.166 -3.599
23 H TYR 4 H TYR 4 -0.374 -5.040 -2.093
24 HA TYR 4 HA TYR 4 -1.432 -4.303 -4.738
25 HB2 TYR 4 2HB TYR 4 -3.658 -5.015 -3.599
26 HB3 TYR 4 3HB TYR 4 -2.534 -6.262 -4.127
27 HD1 TYR 4 HD2 TYR 4 -3.285 -4.207 -1.096
28 HD2 TYR 4 HD1 TYR 4 -2.036 -7.965 -2.651
29 HE1 TYR 4 HE2 TYR 4 -3.250 -5.132 1.183
30 HE2 TYR 4 HE1 TYR 4 -1.999 -8.901 -0.377
31 HH TYR 4 HH TYR 4 -2.293 -6.923 2.429
32 H LYS 5 H LYS 5 -1.014 -3.245 -1.496
33 HA LYS 5 HA LYS 5 -3.096 -1.337 -1.353
34 HB2 LYS 5 2HB LYS 5 -0.465 -1.627 0.083
35 HB3 LYS 5 3HB LYS 5 -1.548 -0.277 0.400
36 HG2 LYS 5 2HG LYS 5 -3.079 -1.573 1.470
37 HG3 LYS 5 3HG LYS 5 -2.691 -3.010 0.521
38 HD2 LYS 5 2HD LYS 5 -1.829 -3.563 2.591
39 HD3 LYS 5 3HD LYS 5 -0.412 -2.888 1.782
40 HE2 LYS 5 2HE LYS 5 -0.474 -0.939 3.018
41 HE3 LYS 5 3HE LYS 5 -2.193 -1.097 3.376
42 HZ1 LYS 5 3HZ LYS 5 -1.000 -3.294 4.522
43 HZ2 LYS 5 1HZ LYS 5 -1.587 -1.925 5.325
44 HZ3 LYS 5 2HZ LYS 5 0.041 -2.008 4.875
45 H LEU 6 H LEU 6 -0.259 -1.424 -3.190
46 HA LEU 6 HA LEU 6 0.091 1.447 -3.349
47 HB2 LEU 6 2HB LEU 6 1.852 0.928 -4.960
48 HB3 LEU 6 3HB LEU 6 2.043 0.021 -3.461
49 HG LEU 6 HG LEU 6 0.637 -1.724 -5.056
50 HD11 LEU 6 1HD1 LEU 6 1.573 -1.758 -7.211
51 HD12 LEU 6 2HD1 LEU 6 2.787 -0.549 -6.794
52 HD13 LEU 6 3HD1 LEU 6 1.093 -0.082 -6.939
53 HD21 LEU 6 3HD2 LEU 6 2.563 -2.171 -3.556
54 HD22 LEU 6 1HD2 LEU 6 3.636 -1.539 -4.805
55 HD23 LEU 6 2HD2 LEU 6 2.680 -2.989 -5.115
56 H VAL 7 H VAL 7 -1.795 -0.933 -4.879
57 HA VAL 7 HA VAL 7 -2.324 0.866 -7.153
58 HB VAL 7 HB VAL 7 -2.764 -2.118 -6.980
59 HG11 VAL 7 1HG1 VAL 7 -3.109 -1.712 -9.530
60 HG12 VAL 7 2HG1 VAL 7 -4.441 -1.426 -8.408
61 HG13 VAL 7 3HG1 VAL 7 -3.499 -0.068 -9.025
62 HG21 VAL 7 3HG2 VAL 7 -0.579 -0.426 -8.038
63 HG22 VAL 7 1HG2 VAL 7 -0.530 -2.055 -7.363
64 HG23 VAL 7 2HG2 VAL 7 -1.067 -1.805 -9.024
65 H VAL 8 H VAL 8 -3.974 -1.603 -5.171
66 HA VAL 8 HA VAL 8 -6.581 -0.681 -5.764
67 HB VAL 8 HB VAL 8 -5.643 -2.307 -3.396
68 HG11 VAL 8 1HG1 VAL 8 -7.726 -1.846 -2.674
69 HG12 VAL 8 2HG1 VAL 8 -8.291 -1.370 -4.277
70 HG13 VAL 8 3HG1 VAL 8 -8.192 -3.078 -3.845
71 HG21 VAL 8 3HG2 VAL 8 -5.301 -3.941 -4.865
72 HG22 VAL 8 1HG2 VAL 8 -7.023 -3.900 -5.246
73 HG23 VAL 8 2HG2 VAL 8 -5.887 -2.934 -6.189
74 H VAL 9 H VAL 9 -4.711 -0.418 -2.732
75 HA VAL 9 HA VAL 9 -6.517 1.527 -1.643
76 HB VAL 9 HB VAL 9 -3.758 0.836 -0.635
77 HG11 VAL 9 1HG1 VAL 9 -4.603 1.583 1.510
78 HG12 VAL 9 2HG1 VAL 9 -4.792 2.862 0.309
79 HG13 VAL 9 3HG1 VAL 9 -6.187 1.900 0.802
80 HG21 VAL 9 3HG2 VAL 9 -6.385 -0.480 0.054
81 HG22 VAL 9 1HG2 VAL 9 -5.102 -1.198 -0.921
82 HG23 VAL 9 2HG2 VAL 9 -4.818 -0.836 0.781
83 H GLY 10 H GLY 10 -3.585 1.609 -3.496
84 HA2 GLY 10 2HA GLY 10 -2.666 4.184 -2.847
85 HA3 GLY 10 3HA GLY 10 -2.353 3.342 -4.358
86 H ALA 11 H ALA 11 -5.415 3.194 -4.644
87 HA ALA 11 HA ALA 11 -5.637 5.741 -6.045
88 HB1 ALA 11 1HB ALA 11 -6.798 3.078 -6.342
89 HB2 ALA 11 2HB ALA 11 -7.956 4.389 -6.573
90 HB3 ALA 11 3HB ALA 11 -6.490 4.325 -7.551
91 H GLY 12 H GLY 12 -6.975 4.054 -3.300
92 HA2 GLY 12 2HA GLY 12 -7.882 6.232 -1.925
93 HA3 GLY 12 3HA GLY 12 -9.227 5.809 -2.975
94 H GLY 13 H GLY 13 -8.466 2.919 -2.821
95 HA2 GLY 13 2HA GLY 13 -8.460 1.207 -1.144
96 HA3 GLY 13 3HA GLY 13 -9.154 2.361 -0.015
97 H VAL 14 H VAL 14 -9.833 0.389 -2.860
98 HA VAL 14 HA VAL 14 -12.584 0.894 -3.046
99 HB VAL 14 HB VAL 14 -11.226 -1.715 -3.726
100 HG11 VAL 14 1HG1 VAL 14 -13.113 -2.313 -4.768
101 HG12 VAL 14 2HG1 VAL 14 -13.883 -1.051 -3.803
102 HG13 VAL 14 3HG1 VAL 14 -13.354 -0.705 -5.450
103 HG21 VAL 14 3HG2 VAL 14 -11.386 0.861 -5.278
104 HG22 VAL 14 1HG2 VAL 14 -9.940 -0.019 -4.784
105 HG23 VAL 14 2HG2 VAL 14 -11.005 -0.694 -6.017
106 H GLY 15 H GLY 15 -10.768 -1.467 -1.141
107 HA2 GLY 15 2HA GLY 15 -11.583 -2.122 1.030
108 HA3 GLY 15 3HA GLY 15 -13.222 -1.951 0.418
109 H LYS 16 H LYS 16 -10.970 -3.476 -1.670
110 HA LYS 16 HA LYS 16 -12.217 -6.075 -1.075
111 HB2 LYS 16 2HB LYS 16 -10.821 -5.314 -3.637
112 HB3 LYS 16 3HB LYS 16 -11.883 -6.687 -3.355
113 HG2 LYS 16 2HG LYS 16 -12.766 -3.811 -3.254
114 HG3 LYS 16 3HG LYS 16 -12.920 -4.858 -4.667
115 HD2 LYS 16 2HD LYS 16 -14.792 -5.748 -3.859
116 HD3 LYS 16 3HD LYS 16 -13.982 -6.180 -2.351
117 HE2 LYS 16 2HE LYS 16 -15.510 -4.752 -1.484
118 HE3 LYS 16 3HE LYS 16 -14.295 -3.557 -1.934
119 HZ1 LYS 16 3HZ LYS 16 -16.898 -4.098 -3.125
120 HZ2 LYS 16 1HZ LYS 16 -15.651 -3.685 -4.192
121 HZ3 LYS 16 2HZ LYS 16 -16.076 -2.632 -2.938
122 H SER 17 H SER 17 -9.141 -4.569 -2.017
123 HA SER 17 HA SER 17 -7.567 -6.893 -1.765
124 HB2 SER 17 2HB SER 17 -7.089 -4.428 -2.737
125 HB3 SER 17 3HB SER 17 -6.303 -4.273 -1.166
126 HG SER 17 HG SER 17 -5.709 -6.017 -3.292
127 H HIS 18 H HIS 18 -8.852 -4.689 0.562
128 HA HIS 18 HA HIS 18 -7.080 -4.958 2.680
129 HB2 HIS 18 2HB HIS 18 -10.061 -4.556 2.584
130 HB3 HIS 18 3HB HIS 18 -9.198 -4.647 4.116
131 HD1 HIS 18 HD1 HIS 18 -9.299 -2.557 0.960
132 HD2 HIS 18 HD2 HIS 18 -8.011 -2.316 4.903
133 HE1 HIS 18 HE1 HIS 18 -8.593 -0.166 1.292
134 H VAL 19 H VAL 19 -9.348 -7.234 1.378
135 HA VAL 19 HA VAL 19 -9.801 -8.946 3.492
136 HB VAL 19 HB VAL 19 -9.307 -9.718 0.612
137 HG11 VAL 19 1HG1 VAL 19 -9.321 -11.788 1.503
138 HG12 VAL 19 2HG1 VAL 19 -10.092 -11.254 2.998
139 HG13 VAL 19 3HG1 VAL 19 -11.066 -11.536 1.554
140 HG21 VAL 19 3HG2 VAL 19 -11.280 -8.089 1.618
141 HG22 VAL 19 1HG2 VAL 19 -11.364 -9.002 0.111
142 HG23 VAL 19 2HG2 VAL 19 -12.053 -9.674 1.589
143 H TRP 20 H TRP 20 -6.896 -8.495 1.616
144 HA TRP 20 HA TRP 20 -5.623 -10.804 2.883
145 HB2 TRP 20 2HB TRP 20 -4.408 -8.939 0.842
146 HB3 TRP 20 3HB TRP 20 -3.860 -10.552 1.289
147 HD1 TRP 20 HD1 TRP 20 -6.441 -8.753 -0.860
148 HE1 TRP 20 HE1 TRP 20 -7.542 -10.459 -2.441
149 HE3 TRP 20 HE3 TRP 20 -4.479 -13.052 1.092
150 HZ2 TRP 20 HZ2 TRP 20 -7.575 -13.257 -2.812
151 HZ3 TRP 20 HZ3 TRP 20 -5.096 -15.201 0.066
152 HH2 TRP 20 HH2 TRP 20 -6.612 -15.300 -1.845
Start of MODEL 23
1 H1 MET 1 H MET 1 0.767 0.712 -0.941
2 HA MET 1 HA MET 1 3.160 0.671 -2.309
3 HB2 MET 1 2HB MET 1 2.206 2.224 -0.374
4 HB3 MET 1 3HB MET 1 3.246 1.213 0.620
5 HG2 MET 1 2HG MET 1 5.143 1.791 -0.866
6 HG3 MET 1 3HG MET 1 4.077 2.899 -1.727
7 HE1 MET 1 3HE MET 1 6.407 2.314 1.203
8 HE2 MET 1 1HE MET 1 5.885 3.450 2.448
9 HE3 MET 1 2HE MET 1 4.905 2.030 2.083
10 H THR 2 H THR 2 1.933 -1.882 -0.708
11 HA THR 2 HA THR 2 4.592 -2.942 -0.000
12 HB THR 2 HB THR 2 3.024 -2.751 1.926
13 HG1 THR 2 HG1 THR 2 3.455 -5.490 1.335
14 HG21 THR 2 3HG2 THR 2 1.429 -4.793 0.373
15 HG22 THR 2 1HG2 THR 2 0.920 -3.155 0.779
16 HG23 THR 2 2HG2 THR 2 1.145 -4.350 2.056
17 H GLU 3 H GLU 3 1.724 -3.367 -1.878
18 HA GLU 3 HA GLU 3 2.891 -5.237 -3.609
19 HB2 GLU 3 2HB GLU 3 2.709 -6.904 -1.938
20 HB3 GLU 3 3HB GLU 3 1.097 -6.375 -1.476
21 HG2 GLU 3 2HG GLU 3 0.189 -7.196 -3.558
22 HG3 GLU 3 3HG GLU 3 1.801 -7.643 -4.112
23 H TYR 4 H TYR 4 -0.384 -4.928 -2.227
24 HA TYR 4 HA TYR 4 -1.356 -4.284 -4.931
25 HB2 TYR 4 2HB TYR 4 -3.619 -4.979 -3.856
26 HB3 TYR 4 3HB TYR 4 -2.476 -6.232 -4.323
27 HD1 TYR 4 HD2 TYR 4 -3.338 -4.127 -1.357
28 HD2 TYR 4 HD1 TYR 4 -2.018 -7.906 -2.800
29 HE1 TYR 4 HE2 TYR 4 -3.379 -5.012 0.938
30 HE2 TYR 4 HE1 TYR 4 -2.057 -8.801 -0.510
31 HH TYR 4 HH TYR 4 -2.407 -6.794 2.242
32 H LYS 5 H LYS 5 -1.061 -3.166 -1.693
33 HA LYS 5 HA LYS 5 -3.148 -1.297 -1.581
34 HB2 LYS 5 2HB LYS 5 -0.479 -1.507 -0.222
35 HB3 LYS 5 3HB LYS 5 -1.499 -0.096 0.032
36 HG2 LYS 5 2HG LYS 5 -2.961 -1.219 1.319
37 HG3 LYS 5 3HG LYS 5 -2.832 -2.698 0.363
38 HD2 LYS 5 2HD LYS 5 -1.083 -3.498 1.589
39 HD3 LYS 5 3HD LYS 5 -0.464 -1.887 1.958
40 HE2 LYS 5 2HE LYS 5 -2.955 -3.093 3.157
41 HE3 LYS 5 3HE LYS 5 -1.373 -3.074 3.935
42 HZ1 LYS 5 3HZ LYS 5 -2.541 -1.249 4.798
43 HZ2 LYS 5 1HZ LYS 5 -3.106 -0.766 3.278
44 HZ3 LYS 5 2HZ LYS 5 -1.471 -0.583 3.670
45 H LEU 6 H LEU 6 -0.265 -1.320 -3.415
46 HA LEU 6 HA LEU 6 -0.106 1.544 -3.750
47 HB2 LEU 6 2HB LEU 6 1.683 1.055 -5.324
48 HB3 LEU 6 3HB LEU 6 1.917 0.199 -3.802
49 HG LEU 6 HG LEU 6 0.621 -1.677 -5.306
50 HD11 LEU 6 1HD1 LEU 6 2.498 -0.206 -7.149
51 HD12 LEU 6 2HD1 LEU 6 0.742 -0.247 -7.297
52 HD13 LEU 6 3HD1 LEU 6 1.677 -1.730 -7.487
53 HD21 LEU 6 3HD2 LEU 6 2.531 -2.146 -3.946
54 HD22 LEU 6 1HD2 LEU 6 3.571 -1.160 -4.974
55 HD23 LEU 6 2HD2 LEU 6 2.894 -2.667 -5.592
56 H VAL 7 H VAL 7 -1.954 -0.949 -5.066
57 HA VAL 7 HA VAL 7 -2.524 0.638 -7.484
58 HB VAL 7 HB VAL 7 -3.089 -2.301 -7.083
59 HG11 VAL 7 1HG1 VAL 7 -3.191 -0.533 -9.524
60 HG12 VAL 7 2HG1 VAL 7 -3.407 -2.284 -9.529
61 HG13 VAL 7 3HG1 VAL 7 -4.566 -1.253 -8.688
62 HG21 VAL 7 3HG2 VAL 7 -0.805 -0.953 -8.519
63 HG22 VAL 7 1HG2 VAL 7 -0.699 -1.974 -7.085
64 HG23 VAL 7 2HG2 VAL 7 -1.189 -2.670 -8.629
65 H VAL 8 H VAL 8 -4.121 -1.617 -5.225
66 HA VAL 8 HA VAL 8 -6.747 -0.790 -5.868
67 HB VAL 8 HB VAL 8 -5.770 -2.112 -3.332
68 HG11 VAL 8 1HG1 VAL 8 -8.189 -2.991 -3.394
69 HG12 VAL 8 2HG1 VAL 8 -7.912 -1.337 -2.844
70 HG13 VAL 8 3HG1 VAL 8 -8.497 -1.637 -4.481
71 HG21 VAL 8 3HG2 VAL 8 -5.247 -3.777 -4.748
72 HG22 VAL 8 1HG2 VAL 8 -6.988 -4.053 -4.796
73 HG23 VAL 8 2HG2 VAL 8 -6.211 -3.100 -6.060
74 H VAL 9 H VAL 9 -4.824 -0.166 -2.924
75 HA VAL 9 HA VAL 9 -6.630 1.893 -2.051
76 HB VAL 9 HB VAL 9 -3.881 1.287 -0.962
77 HG11 VAL 9 1HG1 VAL 9 -4.302 2.863 0.544
78 HG12 VAL 9 2HG1 VAL 9 -5.766 3.279 -0.349
79 HG13 VAL 9 3HG1 VAL 9 -5.837 2.105 0.965
80 HG21 VAL 9 3HG2 VAL 9 -5.166 -0.763 -0.971
81 HG22 VAL 9 1HG2 VAL 9 -5.043 -0.149 0.677
82 HG23 VAL 9 2HG2 VAL 9 -6.540 0.060 -0.232
83 H GLY 10 H GLY 10 -3.661 1.737 -3.856
84 HA2 GLY 10 2HA GLY 10 -2.741 4.366 -3.505
85 HA3 GLY 10 3HA GLY 10 -2.410 3.352 -4.901
86 H ALA 11 H ALA 11 -5.468 3.184 -5.218
87 HA ALA 11 HA ALA 11 -5.649 5.527 -6.936
88 HB1 ALA 11 1HB ALA 11 -7.989 4.203 -7.312
89 HB2 ALA 11 2HB ALA 11 -6.506 3.892 -8.215
90 HB3 ALA 11 3HB ALA 11 -6.921 2.886 -6.828
91 H GLY 12 H GLY 12 -7.359 4.076 -4.191
92 HA2 GLY 12 2HA GLY 12 -8.198 6.627 -3.229
93 HA3 GLY 12 3HA GLY 12 -9.529 5.769 -3.991
94 H GLY 13 H GLY 13 -8.980 3.160 -3.235
95 HA2 GLY 13 2HA GLY 13 -8.519 1.902 -1.194
96 HA3 GLY 13 3HA GLY 13 -9.066 3.304 -0.287
97 H VAL 14 H VAL 14 -10.155 0.791 -2.532
98 HA VAL 14 HA VAL 14 -12.932 1.271 -2.071
99 HB VAL 14 HB VAL 14 -11.663 -1.245 -3.155
100 HG11 VAL 14 1HG1 VAL 14 -13.831 -1.513 -4.296
101 HG12 VAL 14 2HG1 VAL 14 -13.989 -1.526 -2.538
102 HG13 VAL 14 3HG1 VAL 14 -14.431 -0.084 -3.454
103 HG21 VAL 14 3HG2 VAL 14 -12.044 1.428 -4.346
104 HG22 VAL 14 1HG2 VAL 14 -10.873 0.167 -4.733
105 HG23 VAL 14 2HG2 VAL 14 -12.522 0.057 -5.348
106 H GLY 15 H GLY 15 -10.673 -1.263 -0.985
107 HA2 GLY 15 2HA GLY 15 -10.759 -1.939 1.359
108 HA3 GLY 15 3HA GLY 15 -12.505 -1.759 1.277
109 H LYS 16 H LYS 16 -10.947 -3.190 -1.433
110 HA LYS 16 HA LYS 16 -12.188 -5.750 -0.768
111 HB2 LYS 16 2HB LYS 16 -10.874 -4.968 -3.370
112 HB3 LYS 16 3HB LYS 16 -11.988 -6.300 -3.088
113 HG2 LYS 16 2HG LYS 16 -12.639 -3.362 -2.993
114 HG3 LYS 16 3HG LYS 16 -13.120 -4.515 -4.240
115 HD2 LYS 16 2HD LYS 16 -13.942 -4.613 -1.337
116 HD3 LYS 16 3HD LYS 16 -14.951 -4.058 -2.675
117 HE2 LYS 16 2HE LYS 16 -14.617 -6.340 -3.706
118 HE3 LYS 16 3HE LYS 16 -13.900 -6.834 -2.173
119 HZ1 LYS 16 3HZ LYS 16 -16.277 -5.614 -1.517
120 HZ2 LYS 16 1HZ LYS 16 -15.947 -7.273 -1.490
121 HZ3 LYS 16 2HZ LYS 16 -16.640 -6.571 -2.864
122 H SER 17 H SER 17 -9.066 -4.522 -1.966
123 HA SER 17 HA SER 17 -7.674 -6.945 -1.827
124 HB2 SER 17 2HB SER 17 -7.045 -4.509 -2.763
125 HB3 SER 17 3HB SER 17 -6.177 -4.447 -1.229
126 HG SER 17 HG SER 17 -5.639 -5.891 -3.494
127 H HIS 18 H HIS 18 -8.685 -4.781 0.647
128 HA HIS 18 HA HIS 18 -6.815 -5.212 2.649
129 HB2 HIS 18 2HB HIS 18 -9.773 -4.674 2.725
130 HB3 HIS 18 3HB HIS 18 -8.852 -4.894 4.210
131 HD1 HIS 18 HD1 HIS 18 -7.614 -3.008 1.180
132 HD2 HIS 18 HD2 HIS 18 -8.885 -2.287 5.069
133 HE1 HIS 18 HE1 HIS 18 -7.119 -0.581 1.610
134 H VAL 19 H VAL 19 -9.252 -7.337 1.394
135 HA VAL 19 HA VAL 19 -9.652 -9.119 3.460
136 HB VAL 19 HB VAL 19 -9.361 -9.788 0.527
137 HG11 VAL 19 1HG1 VAL 19 -11.125 -11.580 1.464
138 HG12 VAL 19 2HG1 VAL 19 -9.390 -11.886 1.370
139 HG13 VAL 19 3HG1 VAL 19 -10.116 -11.380 2.896
140 HG21 VAL 19 3HG2 VAL 19 -11.361 -8.869 0.187
141 HG22 VAL 19 1HG2 VAL 19 -12.050 -9.717 1.571
142 HG23 VAL 19 2HG2 VAL 19 -11.239 -8.169 1.801
143 H TRP 20 H TRP 20 -6.848 -8.711 1.424
144 HA TRP 20 HA TRP 20 -5.611 -11.178 2.280
145 HB2 TRP 20 2HB TRP 20 -4.470 -8.846 0.725
146 HB3 TRP 20 3HB TRP 20 -3.677 -10.399 0.966
147 HD1 TRP 20 HD1 TRP 20 -6.500 -8.753 -1.013
148 HE1 TRP 20 HE1 TRP 20 -7.217 -10.343 -2.906
149 HE3 TRP 20 HE3 TRP 20 -3.781 -12.874 0.314
150 HZ2 TRP 20 HZ2 TRP 20 -6.699 -12.994 -3.727
151 HZ3 TRP 20 HZ3 TRP 20 -3.948 -14.896 -1.078
152 HH2 TRP 20 HH2 TRP 20 -5.378 -14.953 -3.056
Start of MODEL 24
1 H1 MET 1 H MET 1 0.780 0.614 -0.674
2 HA MET 1 HA MET 1 3.191 0.643 -2.119
3 HB2 MET 1 2HB MET 1 2.335 2.310 -0.360
4 HB3 MET 1 3HB MET 1 2.999 1.201 0.832
5 HG2 MET 1 2HG MET 1 4.798 2.535 0.609
6 HG3 MET 1 3HG MET 1 5.138 1.444 -0.732
7 HE1 MET 1 3HE MET 1 3.544 4.462 0.531
8 HE2 MET 1 1HE MET 1 4.523 5.656 -0.323
9 HE3 MET 1 2HE MET 1 2.891 5.291 -0.883
10 H THR 2 H THR 2 1.882 -1.892 -0.547
11 HA THR 2 HA THR 2 4.503 -2.998 0.228
12 HB THR 2 HB THR 2 2.872 -2.819 2.097
13 HG1 THR 2 HG1 THR 2 3.188 -4.996 2.773
14 HG21 THR 2 3HG2 THR 2 0.932 -3.413 0.416
15 HG22 THR 2 1HG2 THR 2 0.823 -3.864 2.117
16 HG23 THR 2 2HG2 THR 2 1.302 -5.063 0.916
17 H GLU 3 H GLU 3 1.706 -3.367 -1.766
18 HA GLU 3 HA GLU 3 2.916 -5.217 -3.483
19 HB2 GLU 3 2HB GLU 3 2.677 -6.910 -1.846
20 HB3 GLU 3 3HB GLU 3 1.054 -6.383 -1.424
21 HG2 GLU 3 2HG GLU 3 0.144 -7.254 -3.417
22 HG3 GLU 3 3HG GLU 3 1.740 -7.491 -4.127
23 H TYR 4 H TYR 4 -0.398 -4.907 -2.196
24 HA TYR 4 HA TYR 4 -1.285 -4.228 -4.920
25 HB2 TYR 4 2HB TYR 4 -3.584 -4.920 -3.919
26 HB3 TYR 4 3HB TYR 4 -2.435 -6.175 -4.368
27 HD1 TYR 4 HD2 TYR 4 -3.372 -4.099 -1.404
28 HD2 TYR 4 HD1 TYR 4 -2.032 -7.868 -2.851
29 HE1 TYR 4 HE2 TYR 4 -3.486 -5.008 0.878
30 HE2 TYR 4 HE1 TYR 4 -2.143 -8.789 -0.573
31 HH TYR 4 HH TYR 4 -2.400 -8.294 1.603
32 H LYS 5 H LYS 5 -1.079 -3.147 -1.663
33 HA LYS 5 HA LYS 5 -3.157 -1.260 -1.605
34 HB2 LYS 5 2HB LYS 5 -0.551 -1.525 -0.138
35 HB3 LYS 5 3HB LYS 5 -1.560 -0.103 0.092
36 HG2 LYS 5 2HG LYS 5 -3.116 -1.228 1.275
37 HG3 LYS 5 3HG LYS 5 -2.916 -2.710 0.337
38 HD2 LYS 5 2HD LYS 5 -1.246 -3.492 1.674
39 HD3 LYS 5 3HD LYS 5 -0.649 -1.876 2.058
40 HE2 LYS 5 2HE LYS 5 -2.804 -1.595 3.402
41 HE3 LYS 5 3HE LYS 5 -2.990 -3.341 3.241
42 HZ1 LYS 5 3HZ LYS 5 -1.464 -3.695 4.799
43 HZ2 LYS 5 1HZ LYS 5 -1.566 -2.048 5.173
44 HZ3 LYS 5 2HZ LYS 5 -0.370 -2.602 4.114
45 H LEU 6 H LEU 6 -0.228 -1.301 -3.347
46 HA LEU 6 HA LEU 6 0.027 1.560 -3.608
47 HB2 LEU 6 2HB LEU 6 1.806 1.042 -5.197
48 HB3 LEU 6 3HB LEU 6 2.007 0.169 -3.679
49 HG LEU 6 HG LEU 6 0.655 -1.648 -5.222
50 HD11 LEU 6 1HD1 LEU 6 1.026 -0.024 -7.146
51 HD12 LEU 6 2HD1 LEU 6 1.533 -1.695 -7.395
52 HD13 LEU 6 3HD1 LEU 6 2.733 -0.455 -7.030
53 HD21 LEU 6 3HD2 LEU 6 2.432 -2.378 -3.912
54 HD22 LEU 6 1HD2 LEU 6 3.555 -1.211 -4.611
55 HD23 LEU 6 2HD2 LEU 6 3.025 -2.601 -5.559
56 H VAL 7 H VAL 7 -1.830 -0.873 -5.070
57 HA VAL 7 HA VAL 7 -2.360 0.842 -7.408
58 HB VAL 7 HB VAL 7 -2.807 -2.132 -7.122
59 HG11 VAL 7 1HG1 VAL 7 -2.959 -1.417 -9.803
60 HG12 VAL 7 2HG1 VAL 7 -4.302 -1.877 -8.753
61 HG13 VAL 7 3HG1 VAL 7 -3.884 -0.175 -8.959
62 HG21 VAL 7 3HG2 VAL 7 -0.561 -2.065 -7.482
63 HG22 VAL 7 1HG2 VAL 7 -1.102 -1.932 -9.155
64 HG23 VAL 7 2HG2 VAL 7 -0.622 -0.486 -8.266
65 H VAL 8 H VAL 8 -4.000 -1.521 -5.294
66 HA VAL 8 HA VAL 8 -6.615 -0.701 -5.939
67 HB VAL 8 HB VAL 8 -5.631 -2.051 -3.421
68 HG11 VAL 8 1HG1 VAL 8 -8.086 -2.917 -3.527
69 HG12 VAL 8 2HG1 VAL 8 -7.744 -1.329 -2.836
70 HG13 VAL 8 3HG1 VAL 8 -8.359 -1.461 -4.484
71 HG21 VAL 8 3HG2 VAL 8 -6.111 -2.987 -6.155
72 HG22 VAL 8 1HG2 VAL 8 -5.157 -3.707 -4.858
73 HG23 VAL 8 2HG2 VAL 8 -6.903 -3.950 -4.909
74 H VAL 9 H VAL 9 -4.682 -0.025 -3.016
75 HA VAL 9 HA VAL 9 -6.547 2.018 -2.171
76 HB VAL 9 HB VAL 9 -3.860 1.368 -0.959
77 HG11 VAL 9 1HG1 VAL 9 -4.758 3.477 -0.213
78 HG12 VAL 9 2HG1 VAL 9 -6.320 2.731 0.130
79 HG13 VAL 9 3HG1 VAL 9 -4.903 2.293 1.086
80 HG21 VAL 9 3HG2 VAL 9 -6.560 0.123 -0.474
81 HG22 VAL 9 1HG2 VAL 9 -5.072 -0.679 -0.980
82 HG23 VAL 9 2HG2 VAL 9 -5.207 -0.018 0.649
83 H GLY 10 H GLY 10 -3.507 1.828 -3.846
84 HA2 GLY 10 2HA GLY 10 -2.599 4.466 -3.432
85 HA3 GLY 10 3HA GLY 10 -2.155 3.431 -4.781
86 H ALA 11 H ALA 11 -5.175 3.244 -5.341
87 HA ALA 11 HA ALA 11 -5.232 5.587 -7.076
88 HB1 ALA 11 1HB ALA 11 -7.429 4.291 -7.812
89 HB2 ALA 11 2HB ALA 11 -5.827 3.827 -8.387
90 HB3 ALA 11 3HB ALA 11 -6.576 2.945 -7.057
91 H GLY 12 H GLY 12 -7.185 4.054 -4.544
92 HA2 GLY 12 2HA GLY 12 -8.274 6.637 -3.815
93 HA3 GLY 12 3HA GLY 12 -9.452 5.507 -4.466
94 H GLY 13 H GLY 13 -9.287 3.240 -3.402
95 HA2 GLY 13 2HA GLY 13 -8.500 2.219 -1.225
96 HA3 GLY 13 3HA GLY 13 -9.126 3.686 -0.487
97 H VAL 14 H VAL 14 -10.162 1.011 -2.595
98 HA VAL 14 HA VAL 14 -12.927 1.343 -1.987
99 HB VAL 14 HB VAL 14 -11.534 -1.086 -3.122
100 HG11 VAL 14 1HG1 VAL 14 -13.850 -1.416 -4.147
101 HG12 VAL 14 2HG1 VAL 14 -13.666 -1.775 -2.429
102 HG13 VAL 14 3HG1 VAL 14 -14.416 -0.262 -2.940
103 HG21 VAL 14 3HG2 VAL 14 -12.803 0.149 -5.204
104 HG22 VAL 14 1HG2 VAL 14 -12.203 1.520 -4.270
105 HG23 VAL 14 2HG2 VAL 14 -11.082 0.283 -4.840
106 H GLY 15 H GLY 15 -10.630 -1.258 -1.127
107 HA2 GLY 15 2HA GLY 15 -10.461 -1.911 1.229
108 HA3 GLY 15 3HA GLY 15 -12.195 -1.650 1.348
109 H LYS 16 H LYS 16 -10.690 -3.239 -1.382
110 HA LYS 16 HA LYS 16 -12.144 -5.686 -0.679
111 HB2 LYS 16 2HB LYS 16 -10.823 -5.034 -3.313
112 HB3 LYS 16 3HB LYS 16 -12.009 -6.292 -2.991
113 HG2 LYS 16 2HG LYS 16 -12.495 -3.321 -2.914
114 HG3 LYS 16 3HG LYS 16 -13.030 -4.443 -4.167
115 HD2 LYS 16 2HD LYS 16 -13.868 -4.505 -1.268
116 HD3 LYS 16 3HD LYS 16 -14.841 -3.899 -2.609
117 HE2 LYS 16 2HE LYS 16 -14.730 -6.153 -3.639
118 HE3 LYS 16 3HE LYS 16 -13.875 -6.728 -2.209
119 HZ1 LYS 16 3HZ LYS 16 -16.601 -6.621 -2.578
120 HZ2 LYS 16 1HZ LYS 16 -16.262 -5.375 -1.485
121 HZ3 LYS 16 2HZ LYS 16 -15.785 -6.959 -1.135
122 H SER 17 H SER 17 -8.966 -4.675 -1.930
123 HA SER 17 HA SER 17 -7.728 -7.181 -1.767
124 HB2 SER 17 2HB SER 17 -6.961 -4.804 -2.753
125 HB3 SER 17 3HB SER 17 -6.067 -4.774 -1.233
126 HG SER 17 HG SER 17 -5.902 -6.660 -3.334
127 H HIS 18 H HIS 18 -8.616 -4.956 0.684
128 HA HIS 18 HA HIS 18 -6.750 -5.404 2.676
129 HB2 HIS 18 2HB HIS 18 -9.716 -4.884 2.817
130 HB3 HIS 18 3HB HIS 18 -8.717 -5.004 4.262
131 HD1 HIS 18 HD1 HIS 18 -7.565 -3.282 1.120
132 HD2 HIS 18 HD2 HIS 18 -8.883 -2.331 4.944
133 HE1 HIS 18 HE1 HIS 18 -7.137 -0.818 1.386
134 H VAL 19 H VAL 19 -9.251 -7.499 1.480
135 HA VAL 19 HA VAL 19 -9.630 -9.262 3.565
136 HB VAL 19 HB VAL 19 -9.421 -9.950 0.630
137 HG11 VAL 19 1HG1 VAL 19 -11.067 -11.786 1.419
138 HG12 VAL 19 2HG1 VAL 19 -9.338 -12.010 1.694
139 HG13 VAL 19 3HG1 VAL 19 -10.382 -11.483 3.015
140 HG21 VAL 19 3HG2 VAL 19 -11.285 -8.353 2.024
141 HG22 VAL 19 1HG2 VAL 19 -11.364 -8.912 0.353
142 HG23 VAL 19 2HG2 VAL 19 -12.091 -9.874 1.640
143 H TRP 20 H TRP 20 -6.870 -8.918 1.458
144 HA TRP 20 HA TRP 20 -5.653 -11.384 2.388
145 HB2 TRP 20 2HB TRP 20 -4.483 -9.222 0.624
146 HB3 TRP 20 3HB TRP 20 -3.832 -10.840 0.871
147 HD1 TRP 20 HD1 TRP 20 -6.591 -8.972 -0.991
148 HE1 TRP 20 HE1 TRP 20 -7.607 -10.542 -2.759
149 HE3 TRP 20 HE3 TRP 20 -4.260 -13.320 0.350
150 HZ2 TRP 20 HZ2 TRP 20 -7.442 -13.264 -3.489
151 HZ3 TRP 20 HZ3 TRP 20 -4.744 -15.362 -0.934
152 HH2 TRP 20 HH2 TRP 20 -6.303 -15.333 -2.813
Start of MODEL 25
1 H1 MET 1 H MET 1 0.969 0.599 -1.031
2 HA MET 1 HA MET 1 3.178 0.553 -2.600
3 HB2 MET 1 2HB MET 1 2.631 1.916 -0.435
4 HB3 MET 1 3HB MET 1 3.567 0.663 0.369
5 HG2 MET 1 2HG MET 1 5.042 2.453 -0.073
6 HG3 MET 1 3HG MET 1 5.437 1.168 -1.213
7 HE1 MET 1 3HE MET 1 5.795 2.007 -3.988
8 HE2 MET 1 1HE MET 1 6.291 3.677 -3.713
9 HE3 MET 1 2HE MET 1 6.755 2.420 -2.567
10 H THR 2 H THR 2 1.980 -2.126 -1.152
11 HA THR 2 HA THR 2 4.619 -3.440 -1.074
12 HB THR 2 HB THR 2 3.462 -3.345 1.143
13 HG1 THR 2 HG1 THR 2 4.832 -5.019 1.067
14 HG21 THR 2 3HG2 THR 2 1.477 -4.545 1.564
15 HG22 THR 2 1HG2 THR 2 1.535 -5.352 -0.003
16 HG23 THR 2 2HG2 THR 2 1.155 -3.632 0.090
17 H GLU 3 H GLU 3 1.311 -3.569 -2.184
18 HA GLU 3 HA GLU 3 1.971 -5.301 -4.335
19 HB2 GLU 3 2HB GLU 3 1.908 -7.098 -2.799
20 HB3 GLU 3 3HB GLU 3 0.487 -6.457 -1.986
21 HG2 GLU 3 2HG GLU 3 -0.890 -6.976 -3.899
22 HG3 GLU 3 3HG GLU 3 0.523 -7.520 -4.801
23 H TYR 4 H TYR 4 -0.931 -4.792 -2.324
24 HA TYR 4 HA TYR 4 -2.313 -3.824 -4.736
25 HB2 TYR 4 2HB TYR 4 -4.397 -4.349 -3.274
26 HB3 TYR 4 3HB TYR 4 -3.524 -5.682 -4.022
27 HD1 TYR 4 HD2 TYR 4 -3.533 -3.719 -0.839
28 HD2 TYR 4 HD1 TYR 4 -3.007 -7.506 -2.706
29 HE1 TYR 4 HE2 TYR 4 -3.246 -4.762 1.370
30 HE2 TYR 4 HE1 TYR 4 -2.720 -8.559 -0.502
31 HH TYR 4 HH TYR 4 -1.912 -7.156 2.115
32 H LYS 5 H LYS 5 -1.247 -2.991 -1.581
33 HA LYS 5 HA LYS 5 -3.033 -0.924 -0.939
34 HB2 LYS 5 2HB LYS 5 -0.220 -1.583 -0.156
35 HB3 LYS 5 3HB LYS 5 -0.903 -0.033 0.317
36 HG2 LYS 5 2HG LYS 5 -2.314 -0.956 1.824
37 HG3 LYS 5 3HG LYS 5 -2.541 -2.428 0.876
38 HD2 LYS 5 2HD LYS 5 -1.336 -2.904 2.940
39 HD3 LYS 5 3HD LYS 5 -0.307 -3.191 1.535
40 HE2 LYS 5 2HE LYS 5 0.777 -1.039 1.870
41 HE3 LYS 5 3HE LYS 5 -0.287 -0.696 3.232
42 HZ1 LYS 5 3HZ LYS 5 1.906 -2.659 3.054
43 HZ2 LYS 5 1HZ LYS 5 0.668 -2.856 4.191
44 HZ3 LYS 5 2HZ LYS 5 1.637 -1.470 4.226
45 H LEU 6 H LEU 6 -0.631 -1.122 -3.349
46 HA LEU 6 HA LEU 6 -0.312 1.764 -3.576
47 HB2 LEU 6 2HB LEU 6 1.190 1.174 -5.473
48 HB3 LEU 6 3HB LEU 6 1.676 0.509 -3.915
49 HG LEU 6 HG LEU 6 0.133 -1.490 -5.104
50 HD11 LEU 6 1HD1 LEU 6 0.731 -1.725 -7.299
51 HD12 LEU 6 2HD1 LEU 6 2.192 -0.755 -7.123
52 HD13 LEU 6 3HD1 LEU 6 0.616 0.032 -7.192
53 HD21 LEU 6 3HD2 LEU 6 1.877 -2.327 -3.939
54 HD22 LEU 6 1HD2 LEU 6 2.957 -1.009 -4.395
55 HD23 LEU 6 2HD2 LEU 6 2.652 -2.329 -5.524
56 H VAL 7 H VAL 7 -2.261 -0.739 -4.844
57 HA VAL 7 HA VAL 7 -3.099 0.956 -7.100
58 HB VAL 7 HB VAL 7 -3.560 -2.000 -6.672
59 HG11 VAL 7 1HG1 VAL 7 -4.451 -0.085 -8.796
60 HG12 VAL 7 2HG1 VAL 7 -4.228 -1.798 -9.157
61 HG13 VAL 7 3HG1 VAL 7 -5.388 -1.299 -7.926
62 HG21 VAL 7 3HG2 VAL 7 -1.276 -1.700 -7.199
63 HG22 VAL 7 1HG2 VAL 7 -2.063 -2.156 -8.710
64 HG23 VAL 7 2HG2 VAL 7 -1.638 -0.471 -8.410
65 H VAL 8 H VAL 8 -4.730 -1.557 -5.177
66 HA VAL 8 HA VAL 8 -7.282 -0.458 -5.370
67 HB VAL 8 HB VAL 8 -6.181 -2.189 -3.151
68 HG11 VAL 8 1HG1 VAL 8 -8.938 -2.639 -3.648
69 HG12 VAL 8 2HG1 VAL 8 -8.170 -2.036 -2.178
70 HG13 VAL 8 3HG1 VAL 8 -8.700 -0.906 -3.425
71 HG21 VAL 8 3HG2 VAL 8 -7.398 -3.984 -4.503
72 HG22 VAL 8 1HG2 VAL 8 -7.396 -2.815 -5.824
73 HG23 VAL 8 2HG2 VAL 8 -5.870 -3.382 -5.147
74 H VAL 9 H VAL 9 -4.920 -0.172 -2.723
75 HA VAL 9 HA VAL 9 -6.580 1.798 -1.380
76 HB VAL 9 HB VAL 9 -3.813 0.884 -0.595
77 HG11 VAL 9 1HG1 VAL 9 -4.634 2.965 0.445
78 HG12 VAL 9 2HG1 VAL 9 -6.041 2.087 1.045
79 HG13 VAL 9 3HG1 VAL 9 -4.426 1.661 1.612
80 HG21 VAL 9 3HG2 VAL 9 -5.319 -1.043 -0.801
81 HG22 VAL 9 1HG2 VAL 9 -4.887 -0.728 0.879
82 HG23 VAL 9 2HG2 VAL 9 -6.473 -0.251 0.272
83 H GLY 10 H GLY 10 -3.833 1.683 -3.486
84 HA2 GLY 10 2HA GLY 10 -2.807 4.279 -2.859
85 HA3 GLY 10 3HA GLY 10 -2.404 3.314 -4.271
86 H ALA 11 H ALA 11 -5.428 3.156 -4.776
87 HA ALA 11 HA ALA 11 -5.518 5.541 -6.431
88 HB1 ALA 11 1HB ALA 11 -7.259 4.511 -7.617
89 HB2 ALA 11 2HB ALA 11 -6.158 3.197 -7.202
90 HB3 ALA 11 3HB ALA 11 -7.644 3.426 -6.281
91 H GLY 12 H GLY 12 -7.111 4.208 -3.606
92 HA2 GLY 12 2HA GLY 12 -7.937 6.613 -2.541
93 HA3 GLY 12 3HA GLY 12 -9.266 6.080 -3.561
94 H GLY 13 H GLY 13 -9.165 3.334 -3.150
95 HA2 GLY 13 2HA GLY 13 -8.966 1.933 -1.031
96 HA3 GLY 13 3HA GLY 13 -9.946 3.200 -0.308
97 H VAL 14 H VAL 14 -9.911 0.585 -2.653
98 HA VAL 14 HA VAL 14 -12.723 0.788 -3.227
99 HB VAL 14 HB VAL 14 -10.889 -1.537 -3.814
100 HG11 VAL 14 1HG1 VAL 14 -13.359 -0.662 -5.293
101 HG12 VAL 14 2HG1 VAL 14 -12.475 -2.182 -5.448
102 HG13 VAL 14 3HG1 VAL 14 -13.393 -1.839 -3.981
103 HG21 VAL 14 3HG2 VAL 14 -11.196 1.109 -5.132
104 HG22 VAL 14 1HG2 VAL 14 -9.766 0.092 -4.950
105 HG23 VAL 14 2HG2 VAL 14 -10.986 -0.310 -6.159
106 H GLY 15 H GLY 15 -10.659 -1.232 -1.191
107 HA2 GLY 15 2HA GLY 15 -11.585 -1.973 0.942
108 HA3 GLY 15 3HA GLY 15 -13.109 -2.245 0.110
109 H LYS 16 H LYS 16 -10.184 -3.152 -1.484
110 HA LYS 16 HA LYS 16 -10.994 -5.935 -1.398
111 HB2 LYS 16 2HB LYS 16 -8.632 -4.672 -2.800
112 HB3 LYS 16 3HB LYS 16 -9.259 -6.293 -3.066
113 HG2 LYS 16 2HG LYS 16 -10.658 -3.701 -3.691
114 HG3 LYS 16 3HG LYS 16 -9.963 -4.838 -4.849
115 HD2 LYS 16 2HD LYS 16 -12.248 -5.420 -2.964
116 HD3 LYS 16 3HD LYS 16 -12.399 -5.076 -4.689
117 HE2 LYS 16 2HE LYS 16 -11.047 -7.062 -5.190
118 HE3 LYS 16 3HE LYS 16 -10.922 -7.406 -3.465
119 HZ1 LYS 16 3HZ LYS 16 -13.627 -7.069 -4.391
120 HZ2 LYS 16 1HZ LYS 16 -12.958 -8.285 -3.423
121 HZ3 LYS 16 2HZ LYS 16 -12.829 -8.377 -5.107
122 H SER 17 H SER 17 -8.135 -4.016 -0.512
123 HA SER 17 HA SER 17 -6.513 -6.027 0.459
124 HB2 SER 17 2HB SER 17 -5.546 -3.884 0.317
125 HB3 SER 17 3HB SER 17 -6.834 -3.144 1.266
126 HG SER 17 HG SER 17 -5.713 -3.552 2.983
127 H HIS 18 H HIS 18 -9.324 -4.564 1.916
128 HA HIS 18 HA HIS 18 -9.001 -5.279 4.576
129 HB2 HIS 18 2HB HIS 18 -11.551 -5.218 2.950
130 HB3 HIS 18 3HB HIS 18 -11.475 -5.253 4.709
131 HD1 HIS 18 HD1 HIS 18 -8.904 -3.139 4.456
132 HD2 HIS 18 HD2 HIS 18 -12.847 -2.682 3.230
133 HE1 HIS 18 HE1 HIS 18 -9.289 -0.657 4.340
134 H VAL 19 H VAL 19 -9.780 -7.248 1.818
135 HA VAL 19 HA VAL 19 -10.733 -9.499 3.314
136 HB VAL 19 HB VAL 19 -9.685 -9.475 0.482
137 HG11 VAL 19 1HG1 VAL 19 -11.054 -11.461 2.189
138 HG12 VAL 19 2HG1 VAL 19 -11.604 -11.345 0.516
139 HG13 VAL 19 3HG1 VAL 19 -9.910 -11.695 0.867
140 HG21 VAL 19 3HG2 VAL 19 -11.434 -8.213 -0.059
141 HG22 VAL 19 1HG2 VAL 19 -12.485 -9.526 0.472
142 HG23 VAL 19 2HG2 VAL 19 -12.033 -8.248 1.599
143 H TRP 20 H TRP 20 -7.704 -8.776 1.588
144 HA TRP 20 HA TRP 20 -6.413 -11.171 2.447
145 HB2 TRP 20 2HB TRP 20 -5.287 -8.616 1.282
146 HB3 TRP 20 3HB TRP 20 -4.356 -10.088 1.547
147 HD1 TRP 20 HD1 TRP 20 -7.168 -8.692 -0.667
148 HE1 TRP 20 HE1 TRP 20 -7.353 -10.164 -2.771
149 HE3 TRP 20 HE3 TRP 20 -3.882 -12.385 0.636
150 HZ2 TRP 20 HZ2 TRP 20 -6.252 -12.572 -3.748
151 HZ3 TRP 20 HZ3 TRP 20 -3.505 -14.238 -0.939
152 HH2 TRP 20 HH2 TRP 20 -4.667 -14.328 -3.085