Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
526250 | 2lmb RC | 18110 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 5.446 1.142 2.489
2 HA MET 1 HA MET 1 3.793 -1.207 2.834
3 HB3 MET 1 2HB MET 1 5.766 -2.074 4.098
4 HG3 MET 1 2HG MET 1 7.384 -2.089 2.236
5 HE1 MET 1 3HE MET 1 5.377 -5.327 2.102
6 HE2 MET 1 1HE MET 1 6.917 -4.537 2.441
7 HE3 MET 1 2HE MET 1 5.521 -4.222 3.469
8 H TRP 2 H TRP 2 5.284 1.233 4.952
9 HA TRP 2 HA TRP 2 3.205 0.631 6.945
10 HB3 TRP 2 2HB TRP 2 5.154 -0.362 7.863
11 HD1 TRP 2 HD TRP 2 6.524 3.259 7.476
12 HE1 TRP 2 1HE TRP 2 8.988 3.091 6.752
13 HE3 TRP 2 3HE TRP 2 6.925 -1.826 7.129
14 HZ2 TRP 2 2HZ TRP 2 10.855 1.071 6.117
15 HZ3 TRP 2 3HZ TRP 2 9.084 -2.796 6.456
16 HH2 TRP 2 HH TRP 2 11.006 -1.375 5.961
17 H GLN 3 H GLN 3 2.617 2.393 8.321
18 HA GLN 3 HA GLN 3 1.999 4.548 8.705
19 HB3 GLN 3 2HB GLN 3 3.758 6.284 8.422
20 HG3 GLN 3 2HG GLN 3 4.266 3.757 9.869
21 HE21 GLN 3 1HE2 GLN 3 6.093 3.653 11.331
22 HE22 GLN 3 2HE2 GLN 3 7.630 4.244 10.808
23 H ARG 4 H ARG 4 1.389 3.314 6.125
24 HA ARG 4 HA ARG 4 1.517 5.514 4.226
25 HB3 ARG 4 2HB ARG 4 -0.064 3.533 3.102
26 HG3 ARG 4 2HG ARG 4 2.884 3.282 2.840
27 HD3 ARG 4 2HD ARG 4 2.316 3.173 0.467
28 HE ARG 4 HE ARG 4 1.533 1.222 2.267
29 HH11 ARG 4 1HH1 ARG 4 0.648 2.269 -0.933
30 HH12 ARG 4 2HH1 ARG 4 0.148 0.693 -1.451
31 HH21 ARG 4 1HH2 ARG 4 0.878 -0.858 1.596
32 HH22 ARG 4 2HH2 ARG 4 0.279 -1.084 -0.012
33 H ARG 5 H ARG 5 -0.882 3.721 6.100
34 HA ARG 5 HA ARG 5 -3.024 5.430 5.105
35 HB3 ARG 5 2HB ARG 5 -4.142 3.825 7.039
36 HG3 ARG 5 2HG ARG 5 -3.944 3.715 4.112
37 HD3 ARG 5 2HD ARG 5 -5.041 1.546 3.957
38 HE ARG 5 HE ARG 5 -2.659 0.786 5.399
39 HH11 ARG 5 1HH1 ARG 5 -3.967 2.084 2.446
40 HH12 ARG 5 2HH1 ARG 5 -2.591 1.643 1.490
41 HH21 ARG 5 1HH2 ARG 5 -0.842 0.201 4.151
42 HH22 ARG 5 2HH2 ARG 5 -0.815 0.572 2.460
43 H GLN 6 H GLN 6 -0.740 5.575 7.492
44 HA GLN 6 HA GLN 6 -2.105 6.417 9.768
45 HB3 GLN 6 2HB GLN 6 0.179 7.943 9.804
46 HG3 GLN 6 2HG GLN 6 0.588 5.077 10.370
47 HE21 GLN 6 1HE2 GLN 6 0.168 8.292 11.818
48 HE22 GLN 6 2HE2 GLN 6 1.623 8.249 12.748
49 H ARG 7 H ARG 7 -1.604 8.012 6.753
50 HA ARG 7 HA ARG 7 -2.113 10.666 7.759
51 HB3 ARG 7 2HB ARG 7 -2.394 11.049 5.167
52 HG3 ARG 7 2HG ARG 7 0.041 10.658 6.777
53 HD3 ARG 7 2HD ARG 7 0.638 11.355 4.001
54 HE ARG 7 HE ARG 7 2.101 9.266 5.345
55 HH11 ARG 7 1HH1 ARG 7 1.669 12.700 4.961
56 HH12 ARG 7 2HH1 ARG 7 3.267 13.093 5.502
57 HH21 ARG 7 1HH2 ARG 7 4.207 9.772 6.060
58 HH22 ARG 7 2HH2 ARG 7 4.711 11.427 6.126
59 H ARG 8 H ARG 8 -3.982 7.990 6.718
60 HA ARG 8 HA ARG 8 -6.340 9.638 6.200
61 HB3 ARG 8 2HB ARG 8 -7.268 7.147 5.878
62 HG3 ARG 8 2HG ARG 8 -6.265 9.133 4.123
63 HD3 ARG 8 2HD ARG 8 -5.933 7.150 2.302
64 HE ARG 8 HE ARG 8 -3.445 7.967 3.461
65 HH11 ARG 8 1HH1 ARG 8 -6.207 9.039 1.632
66 HH12 ARG 8 2HH1 ARG 8 -5.360 10.345 0.872
67 HH21 ARG 8 1HH2 ARG 8 -2.320 9.683 2.467
68 HH22 ARG 8 2HH2 ARG 8 -3.149 10.711 1.347
69 H GLY 9 H GLY 9 -5.104 7.248 8.474
70 HA2 GLY 9 2HA GLY 9 -5.861 7.701 10.819
71 HA3 GLY 9 3HA GLY 9 -7.488 7.726 10.154
72 H GLU 10 H GLU 10 -5.452 5.433 8.693
73 HA GLU 10 HA GLU 10 -6.645 3.302 10.343
74 HB3 GLU 10 2HB GLU 10 -6.162 1.955 8.115
75 HG3 GLU 10 2HG GLU 10 -8.492 3.840 8.062
76 H GLU 11 H GLU 11 -3.766 4.634 8.989
77 HA GLU 11 HA GLU 11 -1.569 4.207 9.447
78 HB3 GLU 11 2HB GLU 11 -2.277 1.806 11.090
79 HG3 GLU 11 2HG GLU 11 -0.508 3.856 12.180
80 H ARG 12 H ARG 12 -3.200 1.032 9.387
81 HA ARG 12 HA ARG 12 -1.647 0.362 6.988
82 HB3 ARG 12 2HB ARG 12 -1.228 -1.896 7.877
83 HG3 ARG 12 2HG ARG 12 0.188 -1.153 9.955
84 HD3 ARG 12 2HD ARG 12 1.150 0.230 7.544
85 HE ARG 12 HE ARG 12 2.960 -0.434 8.789
86 HH11 ARG 12 1HH1 ARG 12 0.793 -3.126 8.365
87 HH12 ARG 12 2HH1 ARG 12 1.900 -4.287 9.023
88 HH21 ARG 12 1HH2 ARG 12 4.424 -1.951 9.657
89 HH22 ARG 12 2HH2 ARG 12 3.963 -3.618 9.758
90 H LYS 13 H LYS 13 -2.571 -1.324 5.687
91 HA LYS 13 HA LYS 13 -5.344 -1.111 5.355
92 HB3 LYS 13 2HB LYS 13 -3.414 -3.201 4.336
93 HG3 LYS 13 2HG LYS 13 -5.707 -4.043 4.176
94 HD3 LYS 13 2HD LYS 13 -6.161 -1.432 2.751
95 HE3 LYS 13 2HE LYS 13 -6.983 -3.592 1.545
96 HZ1 LYS 13 3HZ LYS 13 -9.396 -3.907 2.458
97 HZ2 LYS 13 1HZ LYS 13 -8.682 -3.477 3.930
98 HZ3 LYS 13 2HZ LYS 13 -8.114 -4.823 3.075
99 H ALA 14 H ALA 14 -6.931 -1.938 6.529
100 HA ALA 14 HA ALA 14 -6.618 -4.622 7.668
101 HB1 ALA 14 1HB ALA 14 -6.540 -2.269 9.199
102 HB2 ALA 14 2HB ALA 14 -8.119 -3.000 9.489
103 HB3 ALA 14 3HB ALA 14 -6.650 -3.933 9.776
104 HA PRO 15 HA PRO 15 -10.717 -5.365 6.292
105 HB3 PRO 15 2HB PRO 15 -10.507 -7.498 7.118
106 HG3 PRO 15 2HG PRO 15 -9.393 -7.905 9.119
107 HD3 PRO 15 2HD PRO 15 -7.826 -6.595 8.052
Start of MODEL 2
1 H1 MET 1 H MET 1 5.931 -0.918 2.663
2 HA MET 1 HA MET 1 3.652 0.302 2.795
3 HB3 MET 1 2HB MET 1 2.517 -1.922 3.549
4 HG3 MET 1 2HG MET 1 3.303 -3.098 1.439
5 HE1 MET 1 3HE MET 1 0.320 -2.222 -0.483
6 HE2 MET 1 1HE MET 1 1.949 -2.680 -0.976
7 HE3 MET 1 2HE MET 1 1.222 -3.415 0.452
8 H TRP 2 H TRP 2 5.221 1.092 5.140
9 HA TRP 2 HA TRP 2 3.162 0.729 7.220
10 HB3 TRP 2 2HB TRP 2 4.849 0.896 8.905
11 HD1 TRP 2 HD TRP 2 3.761 -1.608 7.078
12 HE1 TRP 2 1HE TRP 2 5.192 -3.746 7.026
13 HE3 TRP 2 3HE TRP 2 8.232 0.371 8.573
14 HZ2 TRP 2 2HZ TRP 2 7.863 -4.496 7.550
15 HZ3 TRP 2 3HZ TRP 2 10.176 -1.125 8.773
16 HH2 TRP 2 HH TRP 2 9.992 -3.508 8.272
17 H GLN 3 H GLN 3 2.718 2.540 8.585
18 HA GLN 3 HA GLN 3 2.186 4.722 8.948
19 HB3 GLN 3 2HB GLN 3 4.047 6.387 8.267
20 HG3 GLN 3 2HG GLN 3 4.711 4.123 10.136
21 HE21 GLN 3 1HE2 GLN 3 5.279 6.370 12.027
22 HE22 GLN 3 2HE2 GLN 3 6.881 6.880 11.631
23 H ARG 4 H ARG 4 1.451 3.428 6.397
24 HA ARG 4 HA ARG 4 1.488 5.618 4.481
25 HB3 ARG 4 2HB ARG 4 -0.103 3.660 3.389
26 HG3 ARG 4 2HG ARG 4 2.829 3.286 3.133
27 HD3 ARG 4 2HD ARG 4 0.707 2.401 1.717
28 HE ARG 4 HE ARG 4 0.740 4.995 0.883
29 HH11 ARG 4 1HH1 ARG 4 1.376 1.924 -0.630
30 HH12 ARG 4 2HH1 ARG 4 0.853 2.442 -2.199
31 HH21 ARG 4 1HH2 ARG 4 0.048 5.687 -1.178
32 HH22 ARG 4 2HH2 ARG 4 0.099 4.582 -2.509
33 H ARG 5 H ARG 5 -0.843 3.775 6.405
34 HA ARG 5 HA ARG 5 -3.014 5.511 5.526
35 HB3 ARG 5 2HB ARG 5 -4.084 3.846 7.430
36 HG3 ARG 5 2HG ARG 5 -3.974 3.862 4.508
37 HD3 ARG 5 2HD ARG 5 -4.966 1.659 4.246
38 HE ARG 5 HE ARG 5 -2.531 0.920 5.609
39 HH11 ARG 5 1HH1 ARG 5 -3.942 2.325 2.754
40 HH12 ARG 5 2HH1 ARG 5 -2.564 1.999 1.755
41 HH21 ARG 5 1HH2 ARG 5 -0.712 0.485 4.304
42 HH22 ARG 5 2HH2 ARG 5 -0.728 0.952 2.637
43 H GLN 6 H GLN 6 -0.667 5.561 7.864
44 HA GLN 6 HA GLN 6 -1.969 6.333 10.198
45 HB3 GLN 6 2HB GLN 6 0.414 5.839 10.137
46 HG3 GLN 6 2HG GLN 6 0.652 7.267 7.906
47 HE21 GLN 6 1HE2 GLN 6 2.833 8.897 7.890
48 HE22 GLN 6 2HE2 GLN 6 2.421 10.440 8.547
49 H ARG 7 H ARG 7 -1.531 8.033 7.231
50 HA ARG 7 HA ARG 7 -2.005 10.651 8.336
51 HB3 ARG 7 2HB ARG 7 -2.363 11.121 5.767
52 HG3 ARG 7 2HG ARG 7 0.122 10.659 7.282
53 HD3 ARG 7 2HD ARG 7 0.628 11.468 4.521
54 HE ARG 7 HE ARG 7 2.030 10.003 6.568
55 HH11 ARG 7 1HH1 ARG 7 1.944 10.896 3.204
56 HH12 ARG 7 2HH1 ARG 7 3.643 10.649 2.961
57 HH21 ARG 7 1HH2 ARG 7 4.267 9.674 6.261
58 HH22 ARG 7 2HH2 ARG 7 4.962 9.953 4.699
59 H ARG 8 H ARG 8 -3.918 8.021 7.243
60 HA ARG 8 HA ARG 8 -6.282 9.696 6.867
61 HB3 ARG 8 2HB ARG 8 -7.204 7.190 6.499
62 HG3 ARG 8 2HG ARG 8 -6.229 9.263 4.756
63 HD3 ARG 8 2HD ARG 8 -6.337 6.667 3.337
64 HE ARG 8 HE ARG 8 -5.518 9.274 2.689
65 HH11 ARG 8 1HH1 ARG 8 -4.563 5.961 2.201
66 HH12 ARG 8 2HH1 ARG 8 -3.786 6.272 0.684
67 HH21 ARG 8 1HH2 ARG 8 -4.498 9.695 0.693
68 HH22 ARG 8 2HH2 ARG 8 -3.749 8.397 -0.173
69 H GLY 9 H GLY 9 -4.985 7.217 9.007
70 HA2 GLY 9 2HA GLY 9 -5.670 7.576 11.389
71 HA3 GLY 9 3HA GLY 9 -7.317 7.633 10.775
72 H GLU 10 H GLU 10 -5.321 5.394 9.172
73 HA GLU 10 HA GLU 10 -6.485 3.202 10.761
74 HB3 GLU 10 2HB GLU 10 -6.139 1.908 8.525
75 HG3 GLU 10 2HG GLU 10 -8.288 3.979 8.364
76 H GLU 11 H GLU 11 -3.632 4.581 9.400
77 HA GLU 11 HA GLU 11 -1.428 4.130 9.792
78 HB3 GLU 11 2HB GLU 11 -2.091 1.661 11.345
79 HG3 GLU 11 2HG GLU 11 -0.176 3.890 11.978
80 H ARG 12 H ARG 12 -3.071 0.965 9.635
81 HA ARG 12 HA ARG 12 -1.550 0.385 7.189
82 HB3 ARG 12 2HB ARG 12 -1.122 -1.893 7.957
83 HG3 ARG 12 2HG ARG 12 0.139 -1.204 10.218
84 HD3 ARG 12 2HD ARG 12 1.293 -0.011 7.765
85 HE ARG 12 HE ARG 12 3.067 -0.520 9.104
86 HH11 ARG 12 1HH1 ARG 12 0.796 -3.155 9.219
87 HH12 ARG 12 2HH1 ARG 12 1.827 -4.173 10.171
88 HH21 ARG 12 1HH2 ARG 12 4.432 -1.849 10.356
89 HH22 ARG 12 2HH2 ARG 12 3.894 -3.429 10.818
90 H LYS 13 H LYS 13 -2.509 -1.221 5.815
91 HA LYS 13 HA LYS 13 -5.277 -0.942 5.499
92 HB3 LYS 13 2HB LYS 13 -3.864 -1.503 3.621
93 HG3 LYS 13 2HG LYS 13 -3.485 -4.262 4.743
94 HD3 LYS 13 2HD LYS 13 -1.590 -4.163 3.033
95 HE3 LYS 13 2HE LYS 13 -4.291 -3.921 1.752
96 HZ1 LYS 13 3HZ LYS 13 -2.470 -4.492 0.312
97 HZ2 LYS 13 1HZ LYS 13 -3.459 -5.851 0.513
98 HZ3 LYS 13 2HZ LYS 13 -1.986 -5.748 1.338
99 H ALA 14 H ALA 14 -6.937 -1.880 6.484
100 HA ALA 14 HA ALA 14 -6.640 -4.578 7.574
101 HB1 ALA 14 1HB ALA 14 -6.281 -3.591 9.589
102 HB2 ALA 14 2HB ALA 14 -7.143 -2.117 9.148
103 HB3 ALA 14 3HB ALA 14 -8.044 -3.567 9.591
104 HA PRO 15 HA PRO 15 -10.713 -5.249 6.088
105 HB3 PRO 15 2HB PRO 15 -10.528 -7.413 6.836
106 HG3 PRO 15 2HG PRO 15 -9.457 -7.901 8.842
107 HD3 PRO 15 2HD PRO 15 -7.862 -6.558 7.858
Start of MODEL 3
1 H1 MET 1 H MET 1 4.834 1.319 1.214
2 HA MET 1 HA MET 1 3.440 -0.157 2.334
3 HB3 MET 1 2HB MET 1 6.079 -0.808 3.651
4 HG3 MET 1 2HG MET 1 3.655 -2.433 2.976
5 HE1 MET 1 3HE MET 1 4.142 -5.682 3.033
6 HE2 MET 1 1HE MET 1 5.173 -5.707 4.463
7 HE3 MET 1 2HE MET 1 3.783 -4.625 4.398
8 H TRP 2 H TRP 2 5.786 0.955 4.785
9 HA TRP 2 HA TRP 2 3.695 0.863 6.810
10 HB3 TRP 2 2HB TRP 2 5.709 1.619 8.282
11 HD1 TRP 2 HD TRP 2 5.888 -1.489 5.940
12 HE1 TRP 2 1HE TRP 2 5.793 -3.590 7.423
13 HE3 TRP 2 3HE TRP 2 5.508 0.762 10.515
14 HZ2 TRP 2 2HZ TRP 2 5.584 -4.212 10.169
15 HZ3 TRP 2 3HZ TRP 2 5.364 -0.658 12.520
16 HH2 TRP 2 HH TRP 2 5.402 -3.093 12.348
17 H GLN 3 H GLN 3 3.110 2.645 8.102
18 HA GLN 3 HA GLN 3 2.481 4.800 8.467
19 HB3 GLN 3 2HB GLN 3 4.191 6.553 8.087
20 HG3 GLN 3 2HG GLN 3 4.844 4.043 9.505
21 HE21 GLN 3 1HE2 GLN 3 6.705 4.534 11.170
22 HE22 GLN 3 2HE2 GLN 3 8.213 4.953 10.436
23 H ARG 4 H ARG 4 1.873 3.468 5.887
24 HA ARG 4 HA ARG 4 1.809 5.672 3.987
25 HB3 ARG 4 2HB ARG 4 0.364 3.638 2.844
26 HG3 ARG 4 2HG ARG 4 3.318 3.419 2.671
27 HD3 ARG 4 2HD ARG 4 2.897 3.156 0.356
28 HE ARG 4 HE ARG 4 1.574 1.463 2.094
29 HH11 ARG 4 1HH1 ARG 4 1.248 2.498 -1.213
30 HH12 ARG 4 2HH1 ARG 4 0.529 1.013 -1.745
31 HH21 ARG 4 1HH2 ARG 4 0.629 -0.496 1.408
32 HH22 ARG 4 2HH2 ARG 4 0.178 -0.689 -0.252
33 H ARG 5 H ARG 5 -0.380 3.798 6.006
34 HA ARG 5 HA ARG 5 -2.668 5.341 5.039
35 HB3 ARG 5 2HB ARG 5 -3.770 3.708 6.850
36 HG3 ARG 5 2HG ARG 5 -2.923 2.405 4.305
37 HD3 ARG 5 2HD ARG 5 -4.639 1.607 6.180
38 HE ARG 5 HE ARG 5 -6.061 3.736 5.360
39 HH11 ARG 5 1HH1 ARG 5 -6.509 0.310 4.935
40 HH12 ARG 5 2HH1 ARG 5 -8.237 0.410 4.875
41 HH21 ARG 5 1HH2 ARG 5 -8.336 3.882 5.284
42 HH22 ARG 5 2HH2 ARG 5 -9.276 2.443 5.074
43 H GLN 6 H GLN 6 -0.346 5.549 7.409
44 HA GLN 6 HA GLN 6 -1.708 6.301 9.710
45 HB3 GLN 6 2HB GLN 6 0.570 7.972 9.486
46 HG3 GLN 6 2HG GLN 6 0.664 5.236 10.686
47 HE21 GLN 6 1HE2 GLN 6 0.927 8.608 11.744
48 HE22 GLN 6 2HE2 GLN 6 2.547 8.479 12.330
49 H ARG 7 H ARG 7 -1.023 8.117 6.790
50 HA ARG 7 HA ARG 7 -1.733 10.670 7.808
51 HB3 ARG 7 2HB ARG 7 -2.127 11.067 5.231
52 HG3 ARG 7 2HG ARG 7 0.394 10.721 6.727
53 HD3 ARG 7 2HD ARG 7 0.777 11.536 3.935
54 HE ARG 7 HE ARG 7 2.474 9.546 5.146
55 HH11 ARG 7 1HH1 ARG 7 1.766 12.942 4.853
56 HH12 ARG 7 2HH1 ARG 7 3.362 13.446 5.299
57 HH21 ARG 7 1HH2 ARG 7 4.579 10.198 5.734
58 HH22 ARG 7 2HH2 ARG 7 4.962 11.885 5.799
59 H ARG 8 H ARG 8 -3.559 7.951 6.793
60 HA ARG 8 HA ARG 8 -5.983 9.531 6.391
61 HB3 ARG 8 2HB ARG 8 -6.833 7.001 6.087
62 HG3 ARG 8 2HG ARG 8 -5.766 8.994 4.252
63 HD3 ARG 8 2HD ARG 8 -5.985 6.160 3.262
64 HE ARG 8 HE ARG 8 -4.590 8.060 1.659
65 HH11 ARG 8 1HH1 ARG 8 -7.761 6.912 2.524
66 HH12 ARG 8 2HH1 ARG 8 -8.491 7.411 1.035
67 HH21 ARG 8 1HH2 ARG 8 -5.541 8.723 -0.307
68 HH22 ARG 8 2HH2 ARG 8 -7.227 8.441 -0.576
69 H GLY 9 H GLY 9 -4.546 7.238 8.625
70 HA2 GLY 9 2HA GLY 9 -5.237 7.608 10.986
71 HA3 GLY 9 3HA GLY 9 -6.889 7.601 10.389
72 H GLU 10 H GLU 10 -4.820 5.376 8.849
73 HA GLU 10 HA GLU 10 -5.894 3.199 10.521
74 HB3 GLU 10 2HB GLU 10 -5.469 1.906 8.229
75 HG3 GLU 10 2HG GLU 10 -7.914 3.421 7.891
76 H GLU 11 H GLU 11 -3.128 4.753 9.402
77 HA GLU 11 HA GLU 11 -0.916 4.363 9.822
78 HB3 GLU 11 2HB GLU 11 -1.510 1.650 10.939
79 HG3 GLU 11 2HG GLU 11 0.765 3.201 10.878
80 H ARG 12 H ARG 12 -2.385 1.197 9.074
81 HA ARG 12 HA ARG 12 -0.901 1.128 6.564
82 HB3 ARG 12 2HB ARG 12 -0.415 -1.391 7.262
83 HG3 ARG 12 2HG ARG 12 1.178 1.058 7.799
84 HD3 ARG 12 2HD ARG 12 1.856 -0.209 9.675
85 HE ARG 12 HE ARG 12 1.388 -2.440 9.600
86 HH11 ARG 12 1HH1 ARG 12 3.045 -1.548 6.671
87 HH12 ARG 12 2HH1 ARG 12 3.173 -3.177 6.093
88 HH21 ARG 12 1HH2 ARG 12 1.551 -4.588 8.850
89 HH22 ARG 12 2HH2 ARG 12 2.322 -4.906 7.333
90 H LYS 13 H LYS 13 -1.694 -0.453 5.063
91 HA LYS 13 HA LYS 13 -4.485 -0.658 4.991
92 HB3 LYS 13 2HB LYS 13 -2.564 -2.437 3.489
93 HG3 LYS 13 2HG LYS 13 -5.075 -2.803 3.289
94 HD3 LYS 13 2HD LYS 13 -4.804 -0.170 1.842
95 HE3 LYS 13 2HE LYS 13 -6.087 -1.771 0.503
96 HZ1 LYS 13 3HZ LYS 13 -7.538 -2.159 3.038
97 HZ2 LYS 13 1HZ LYS 13 -6.987 -3.318 1.935
98 HZ3 LYS 13 2HZ LYS 13 -8.339 -2.372 1.563
99 H ALA 14 H ALA 14 -5.771 -1.882 6.188
100 HA ALA 14 HA ALA 14 -5.046 -4.666 6.688
101 HB1 ALA 14 1HB ALA 14 -4.353 -4.091 8.754
102 HB2 ALA 14 2HB ALA 14 -5.254 -2.574 8.751
103 HB3 ALA 14 3HB ALA 14 -6.082 -4.089 9.107
104 HA PRO 15 HA PRO 15 -9.294 -5.503 5.980
105 HB3 PRO 15 2HB PRO 15 -8.803 -7.731 6.250
106 HG3 PRO 15 2HG PRO 15 -7.281 -8.437 7.860
107 HD3 PRO 15 2HD PRO 15 -6.040 -6.785 6.839
Start of MODEL 4
1 H1 MET 1 H MET 1 2.700 0.021 1.626
2 HA MET 1 HA MET 1 1.142 -0.554 3.271
3 HB3 MET 1 2HB MET 1 2.391 -2.576 2.470
4 HG3 MET 1 2HG MET 1 3.884 -2.242 5.060
5 HE1 MET 1 3HE MET 1 2.754 -4.026 6.053
6 HE2 MET 1 1HE MET 1 1.999 -5.218 4.994
7 HE3 MET 1 2HE MET 1 3.377 -5.676 5.996
8 H TRP 2 H TRP 2 4.295 0.309 4.441
9 HA TRP 2 HA TRP 2 3.327 0.437 7.201
10 HB3 TRP 2 2HB TRP 2 5.746 1.003 7.699
11 HD1 TRP 2 HD TRP 2 4.028 -1.357 8.589
12 HE1 TRP 2 1HE TRP 2 4.897 -3.779 8.540
13 HE3 TRP 2 3HE TRP 2 7.771 -0.808 5.148
14 HZ2 TRP 2 2HZ TRP 2 6.903 -5.261 7.218
15 HZ3 TRP 2 3HZ TRP 2 9.118 -2.777 4.548
16 HH2 TRP 2 HH TRP 2 8.693 -4.957 5.562
17 H GLN 3 H GLN 3 2.675 2.287 8.079
18 HA GLN 3 HA GLN 3 2.268 4.499 8.414
19 HB3 GLN 3 2HB GLN 3 4.232 5.958 7.202
20 HG3 GLN 3 2HG GLN 3 5.476 4.955 9.495
21 HE21 GLN 3 1HE2 GLN 3 2.809 7.096 8.561
22 HE22 GLN 3 2HE2 GLN 3 3.524 8.541 9.179
23 H ARG 4 H ARG 4 1.540 3.055 5.837
24 HA ARG 4 HA ARG 4 1.371 5.238 3.928
25 HB3 ARG 4 2HB ARG 4 -0.137 3.211 2.873
26 HG3 ARG 4 2HG ARG 4 2.815 2.969 2.610
27 HD3 ARG 4 2HD ARG 4 1.130 1.676 1.244
28 HE ARG 4 HE ARG 4 -0.516 3.031 0.398
29 HH11 ARG 4 1HH1 ARG 4 2.597 4.461 -0.222
30 HH12 ARG 4 2HH1 ARG 4 1.968 5.694 -1.263
31 HH21 ARG 4 1HH2 ARG 4 -1.355 4.650 -0.972
32 HH22 ARG 4 2HH2 ARG 4 -0.280 5.801 -1.690
33 H ARG 5 H ARG 5 -0.640 3.579 6.238
34 HA ARG 5 HA ARG 5 -3.023 4.989 5.285
35 HB3 ARG 5 2HB ARG 5 -4.301 3.511 6.666
36 HG3 ARG 5 2HG ARG 5 -3.683 1.297 5.928
37 HD3 ARG 5 2HD ARG 5 -3.447 1.696 3.518
38 HE ARG 5 HE ARG 5 -5.434 3.079 5.057
39 HH11 ARG 5 1HH1 ARG 5 -4.261 2.428 1.844
40 HH12 ARG 5 2HH1 ARG 5 -5.791 2.720 1.085
41 HH21 ARG 5 1HH2 ARG 5 -7.454 3.466 4.070
42 HH22 ARG 5 2HH2 ARG 5 -7.607 3.311 2.352
43 H GLN 6 H GLN 6 -0.529 5.442 7.434
44 HA GLN 6 HA GLN 6 -1.716 6.411 9.750
45 HB3 GLN 6 2HB GLN 6 0.538 8.051 9.079
46 HG3 GLN 6 2HG GLN 6 0.979 5.666 10.736
47 HE21 GLN 6 1HE2 GLN 6 2.621 6.057 12.061
48 HE22 GLN 6 2HE2 GLN 6 3.305 7.612 12.378
49 H ARG 7 H ARG 7 -1.399 7.879 6.601
50 HA ARG 7 HA ARG 7 -2.012 10.540 7.405
51 HB3 ARG 7 2HB ARG 7 -2.677 10.645 4.854
52 HG3 ARG 7 2HG ARG 7 -0.039 10.542 6.140
53 HD3 ARG 7 2HD ARG 7 0.271 10.928 3.291
54 HE ARG 7 HE ARG 7 1.763 8.863 4.635
55 HH11 ARG 7 1HH1 ARG 7 1.440 12.281 4.065
56 HH12 ARG 7 2HH1 ARG 7 3.096 12.632 4.434
57 HH21 ARG 7 1HH2 ARG 7 3.945 9.311 5.125
58 HH22 ARG 7 2HH2 ARG 7 4.521 10.941 5.036
59 H ARG 8 H ARG 8 -3.898 7.719 6.793
60 HA ARG 8 HA ARG 8 -6.370 9.261 6.561
61 HB3 ARG 8 2HB ARG 8 -7.277 6.779 6.425
62 HG3 ARG 8 2HG ARG 8 -6.178 8.566 4.411
63 HD3 ARG 8 2HD ARG 8 -6.476 5.646 3.719
64 HE ARG 8 HE ARG 8 -6.690 6.549 1.640
65 HH11 ARG 8 1HH1 ARG 8 -4.455 8.497 3.464
66 HH12 ARG 8 2HH1 ARG 8 -4.059 9.528 2.129
67 HH21 ARG 8 1HH2 ARG 8 -6.178 7.899 -0.127
68 HH22 ARG 8 2HH2 ARG 8 -5.041 9.186 0.087
69 H GLY 9 H GLY 9 -4.649 7.155 8.764
70 HA2 GLY 9 2HA GLY 9 -5.115 7.650 11.155
71 HA3 GLY 9 3HA GLY 9 -6.818 7.554 10.732
72 H GLU 10 H GLU 10 -4.759 5.308 9.170
73 HA GLU 10 HA GLU 10 -5.665 3.200 11.020
74 HB3 GLU 10 2HB GLU 10 -5.176 1.846 8.720
75 HG3 GLU 10 2HG GLU 10 -7.798 2.735 8.363
76 H GLU 11 H GLU 11 -3.007 4.714 9.504
77 HA GLU 11 HA GLU 11 -0.759 4.452 9.819
78 HB3 GLU 11 2HB GLU 11 -1.194 1.960 11.425
79 HG3 GLU 11 2HG GLU 11 1.020 3.564 10.935
80 H ARG 12 H ARG 12 -2.153 1.166 9.737
81 HA ARG 12 HA ARG 12 -0.550 0.655 7.320
82 HB3 ARG 12 2HB ARG 12 -0.237 -1.660 8.080
83 HG3 ARG 12 2HG ARG 12 0.794 0.602 9.662
84 HD3 ARG 12 2HD ARG 12 0.175 -1.109 11.379
85 HE ARG 12 HE ARG 12 1.629 -2.890 9.660
86 HH11 ARG 12 1HH1 ARG 12 0.677 -2.236 12.944
87 HH12 ARG 12 2HH1 ARG 12 0.819 -3.887 13.452
88 HH21 ARG 12 1HH2 ARG 12 1.820 -5.066 10.316
89 HH22 ARG 12 2HH2 ARG 12 1.470 -5.496 11.956
90 H LYS 13 H LYS 13 -1.433 -0.874 5.831
91 HA LYS 13 HA LYS 13 -4.193 -0.584 5.390
92 HB3 LYS 13 2HB LYS 13 -3.860 -2.339 3.636
93 HG3 LYS 13 2HG LYS 13 -2.121 0.060 3.820
94 HD3 LYS 13 2HD LYS 13 -0.872 -1.942 2.709
95 HE3 LYS 13 2HE LYS 13 -1.387 -1.965 0.235
96 HZ1 LYS 13 3HZ LYS 13 -2.795 -3.750 0.445
97 HZ2 LYS 13 1HZ LYS 13 -3.692 -3.057 1.701
98 HZ3 LYS 13 2HZ LYS 13 -2.147 -3.675 2.005
99 H ALA 14 H ALA 14 -5.906 -1.683 6.100
100 HA ALA 14 HA ALA 14 -5.488 -4.345 7.281
101 HB1 ALA 14 1HB ALA 14 -6.505 -1.930 8.578
102 HB2 ALA 14 2HB ALA 14 -7.538 -3.345 8.782
103 HB3 ALA 14 3HB ALA 14 -5.848 -3.408 9.282
104 HA PRO 15 HA PRO 15 -8.964 -5.696 4.969
105 HB3 PRO 15 2HB PRO 15 -8.626 -7.784 5.865
106 HG3 PRO 15 2HG PRO 15 -7.975 -8.046 8.082
107 HD3 PRO 15 2HD PRO 15 -6.423 -6.487 7.395
Start of MODEL 5
1 H1 MET 1 H MET 1 4.804 -1.649 2.828
2 HA MET 1 HA MET 1 2.013 -1.161 3.388
3 HB3 MET 1 2HB MET 1 1.915 -3.456 4.070
4 HG3 MET 1 2HG MET 1 3.986 -3.654 1.940
5 HE1 MET 1 3HE MET 1 3.381 -6.213 0.174
6 HE2 MET 1 1HE MET 1 4.481 -5.576 1.397
7 HE3 MET 1 2HE MET 1 3.639 -7.100 1.677
8 H TRP 2 H TRP 2 4.075 0.439 4.770
9 HA TRP 2 HA TRP 2 3.081 0.014 7.481
10 HB3 TRP 2 2HB TRP 2 5.267 -1.174 7.321
11 HD1 TRP 2 HD TRP 2 6.080 0.012 4.689
12 HE1 TRP 2 1HE TRP 2 8.306 1.251 4.324
13 HE3 TRP 2 3HE TRP 2 7.105 1.286 9.533
14 HZ2 TRP 2 2HZ TRP 2 10.241 2.591 5.882
15 HZ3 TRP 2 3HZ TRP 2 9.163 2.545 10.011
16 HH2 TRP 2 HH TRP 2 10.698 3.183 8.223
17 H GLN 3 H GLN 3 2.552 1.875 8.451
18 HA GLN 3 HA GLN 3 2.228 4.098 8.800
19 HB3 GLN 3 2HB GLN 3 4.328 5.528 7.981
20 HG3 GLN 3 2HG GLN 3 4.430 3.602 10.291
21 HE21 GLN 3 1HE2 GLN 3 6.407 3.390 11.031
22 HE22 GLN 3 2HE2 GLN 3 7.622 4.618 11.070
23 H ARG 4 H ARG 4 1.615 2.802 6.145
24 HA ARG 4 HA ARG 4 1.807 5.040 4.298
25 HB3 ARG 4 2HB ARG 4 0.245 3.097 3.089
26 HG3 ARG 4 2HG ARG 4 3.187 2.794 2.891
27 HD3 ARG 4 2HD ARG 4 0.851 2.933 1.011
28 HE ARG 4 HE ARG 4 3.366 3.840 0.306
29 HH11 ARG 4 1HH1 ARG 4 1.165 1.339 -0.705
30 HH12 ARG 4 2HH1 ARG 4 1.711 1.341 -2.349
31 HH21 ARG 4 1HH2 ARG 4 4.093 3.853 -1.856
32 HH22 ARG 4 2HH2 ARG 4 3.377 2.771 -3.002
33 H ARG 5 H ARG 5 -0.539 3.437 6.319
34 HA ARG 5 HA ARG 5 -2.709 5.055 5.202
35 HB3 ARG 5 2HB ARG 5 -4.056 3.628 6.918
36 HG3 ARG 5 2HG ARG 5 -3.104 1.664 5.024
37 HD3 ARG 5 2HD ARG 5 -5.359 1.790 6.083
38 HE ARG 5 HE ARG 5 -5.507 4.361 5.318
39 HH11 ARG 5 1HH1 ARG 5 -7.325 1.537 4.398
40 HH12 ARG 5 2HH1 ARG 5 -8.781 2.419 4.077
41 HH21 ARG 5 1HH2 ARG 5 -7.418 5.533 4.898
42 HH22 ARG 5 2HH2 ARG 5 -8.832 4.692 4.361
43 H GLN 6 H GLN 6 -0.422 5.256 7.596
44 HA GLN 6 HA GLN 6 -1.779 6.206 9.831
45 HB3 GLN 6 2HB GLN 6 0.646 7.698 9.461
46 HG3 GLN 6 2HG GLN 6 0.433 5.197 11.084
47 HE21 GLN 6 1HE2 GLN 6 1.268 8.648 11.104
48 HE22 GLN 6 2HE2 GLN 6 2.760 8.456 11.953
49 H ARG 7 H ARG 7 -1.046 7.766 6.800
50 HA ARG 7 HA ARG 7 -1.554 10.431 7.667
51 HB3 ARG 7 2HB ARG 7 -1.931 10.689 5.068
52 HG3 ARG 7 2HG ARG 7 0.542 10.339 6.615
53 HD3 ARG 7 2HD ARG 7 1.155 10.838 3.826
54 HE ARG 7 HE ARG 7 2.407 8.644 5.213
55 HH11 ARG 7 1HH1 ARG 7 2.311 12.095 4.764
56 HH12 ARG 7 2HH1 ARG 7 3.939 12.342 5.303
57 HH21 ARG 7 1HH2 ARG 7 4.552 8.956 5.924
58 HH22 ARG 7 2HH2 ARG 7 5.213 10.555 5.962
59 H ARG 8 H ARG 8 -3.554 7.776 6.844
60 HA ARG 8 HA ARG 8 -5.873 9.476 6.326
61 HB3 ARG 8 2HB ARG 8 -6.900 7.010 6.186
62 HG3 ARG 8 2HG ARG 8 -5.786 8.819 4.260
63 HD3 ARG 8 2HD ARG 8 -5.872 6.028 3.217
64 HE ARG 8 HE ARG 8 -3.991 7.904 2.148
65 HH11 ARG 8 1HH1 ARG 8 -7.324 6.900 2.119
66 HH12 ARG 8 2HH1 ARG 8 -7.636 7.531 0.536
67 HH21 ARG 8 1HH2 ARG 8 -4.389 8.739 0.063
68 HH22 ARG 8 2HH2 ARG 8 -5.966 8.576 -0.633
69 H GLY 9 H GLY 9 -4.588 7.244 8.713
70 HA2 GLY 9 2HA GLY 9 -5.244 7.839 11.044
71 HA3 GLY 9 3HA GLY 9 -6.896 7.886 10.445
72 H GLU 10 H GLU 10 -4.934 5.436 9.100
73 HA GLU 10 HA GLU 10 -6.133 3.455 10.924
74 HB3 GLU 10 2HB GLU 10 -5.874 1.951 8.773
75 HG3 GLU 10 2HG GLU 10 -8.091 3.978 8.806
76 H GLU 11 H GLU 11 -3.298 4.791 9.779
77 HA GLU 11 HA GLU 11 -1.111 4.293 10.203
78 HB3 GLU 11 2HB GLU 11 -0.524 2.663 11.797
79 HG3 GLU 11 2HG GLU 11 -1.954 2.949 13.630
80 H ARG 12 H ARG 12 -2.726 1.167 9.597
81 HA ARG 12 HA ARG 12 -1.099 0.885 7.167
82 HB3 ARG 12 2HB ARG 12 -0.442 -1.314 7.677
83 HG3 ARG 12 2HG ARG 12 -0.253 -0.586 10.495
84 HD3 ARG 12 2HD ARG 12 2.249 -0.500 9.446
85 HE ARG 12 HE ARG 12 0.991 -2.252 11.052
86 HH11 ARG 12 1HH1 ARG 12 3.043 -2.663 8.271
87 HH12 ARG 12 2HH1 ARG 12 3.683 -4.183 8.804
88 HH21 ARG 12 1HH2 ARG 12 1.825 -4.251 11.766
89 HH22 ARG 12 2HH2 ARG 12 2.988 -5.086 10.792
90 H LYS 13 H LYS 13 -1.982 -0.572 5.584
91 HA LYS 13 HA LYS 13 -4.731 -0.267 5.172
92 HB3 LYS 13 2HB LYS 13 -2.854 -2.298 3.948
93 HG3 LYS 13 2HG LYS 13 -4.595 -1.655 1.987
94 HD3 LYS 13 2HD LYS 13 -5.823 -3.841 2.991
95 HE3 LYS 13 2HE LYS 13 -3.177 -3.581 1.591
96 HZ1 LYS 13 3HZ LYS 13 -4.290 -5.924 2.748
97 HZ2 LYS 13 1HZ LYS 13 -2.815 -5.726 1.945
98 HZ3 LYS 13 2HZ LYS 13 -4.216 -6.072 1.064
99 H ALA 14 H ALA 14 -6.351 -1.184 6.231
100 HA ALA 14 HA ALA 14 -6.111 -4.011 7.003
101 HB1 ALA 14 1HB ALA 14 -6.503 -1.711 8.745
102 HB2 ALA 14 2HB ALA 14 -7.741 -2.952 8.949
103 HB3 ALA 14 3HB ALA 14 -6.037 -3.366 9.139
104 HA PRO 15 HA PRO 15 -10.085 -4.623 5.246
105 HB3 PRO 15 2HB PRO 15 -9.918 -6.830 5.864
106 HG3 PRO 15 2HG PRO 15 -8.961 -7.438 7.895
107 HD3 PRO 15 2HD PRO 15 -7.329 -6.019 7.096
Start of MODEL 6
1 H1 MET 1 H MET 1 5.225 -1.181 2.494
2 HA MET 1 HA MET 1 3.395 0.495 3.047
3 HB3 MET 1 2HB MET 1 1.824 -1.290 3.957
4 HG3 MET 1 2HG MET 1 3.338 -2.393 1.634
5 HE1 MET 1 3HE MET 1 1.131 -5.122 2.146
6 HE2 MET 1 1HE MET 1 2.408 -4.251 2.994
7 HE3 MET 1 2HE MET 1 0.764 -4.248 3.632
8 H TRP 2 H TRP 2 5.208 1.362 4.851
9 HA TRP 2 HA TRP 2 3.834 1.071 7.442
10 HB3 TRP 2 2HB TRP 2 6.055 1.872 8.408
11 HD1 TRP 2 HD TRP 2 4.512 -0.559 9.176
12 HE1 TRP 2 1HE TRP 2 5.522 -2.925 9.266
13 HE3 TRP 2 3HE TRP 2 8.510 0.148 6.070
14 HZ2 TRP 2 2HZ TRP 2 7.724 -4.308 8.165
15 HZ3 TRP 2 3HZ TRP 2 10.020 -1.747 5.640
16 HH2 TRP 2 HH TRP 2 9.634 -3.927 6.668
17 H GLN 3 H GLN 3 3.070 2.858 8.429
18 HA GLN 3 HA GLN 3 2.409 5.011 8.737
19 HB3 GLN 3 2HB GLN 3 4.045 6.743 8.522
20 HG3 GLN 3 2HG GLN 3 5.445 4.153 9.143
21 HE21 GLN 3 1HE2 GLN 3 7.118 4.580 10.886
22 HE22 GLN 3 2HE2 GLN 3 8.193 5.904 10.606
23 H ARG 4 H ARG 4 1.845 3.571 6.193
24 HA ARG 4 HA ARG 4 1.708 5.709 4.226
25 HB3 ARG 4 2HB ARG 4 0.299 3.577 3.186
26 HG3 ARG 4 2HG ARG 4 3.248 3.477 2.914
27 HD3 ARG 4 2HD ARG 4 1.455 2.227 1.537
28 HE ARG 4 HE ARG 4 0.628 4.799 0.894
29 HH11 ARG 4 1HH1 ARG 4 1.583 1.888 -0.760
30 HH12 ARG 4 2HH1 ARG 4 0.594 2.197 -2.149
31 HH21 ARG 4 1HH2 ARG 4 -0.678 5.218 -0.929
32 HH22 ARG 4 2HH2 ARG 4 -0.690 4.092 -2.244
33 H ARG 5 H ARG 5 -0.411 3.886 6.350
34 HA ARG 5 HA ARG 5 -2.758 5.286 5.315
35 HB3 ARG 5 2HB ARG 5 -4.079 3.712 6.470
36 HG3 ARG 5 2HG ARG 5 -3.269 1.533 5.881
37 HD3 ARG 5 2HD ARG 5 -2.679 1.862 3.557
38 HE ARG 5 HE ARG 5 -4.785 3.480 4.676
39 HH11 ARG 5 1HH1 ARG 5 -3.206 2.409 1.764
40 HH12 ARG 5 2HH1 ARG 5 -4.584 2.701 0.755
41 HH21 ARG 5 1HH2 ARG 5 -6.605 3.869 3.358
42 HH22 ARG 5 2HH2 ARG 5 -6.516 3.532 1.662
43 H GLN 6 H GLN 6 -0.412 5.760 7.618
44 HA GLN 6 HA GLN 6 -1.762 6.636 9.881
45 HB3 GLN 6 2HB GLN 6 0.574 8.257 9.117
46 HG3 GLN 6 2HG GLN 6 -0.025 6.443 11.440
47 HE21 GLN 6 1HE2 GLN 6 2.205 5.618 10.685
48 HE22 GLN 6 2HE2 GLN 6 3.564 6.399 11.412
49 H ARG 7 H ARG 7 -1.260 8.214 6.801
50 HA ARG 7 HA ARG 7 -2.018 10.824 7.627
51 HB3 ARG 7 2HB ARG 7 -2.511 11.001 5.051
52 HG3 ARG 7 2HG ARG 7 0.027 10.906 6.505
53 HD3 ARG 7 2HD ARG 7 0.667 11.319 3.754
54 HE ARG 7 HE ARG 7 1.746 9.774 5.934
55 HH11 ARG 7 1HH1 ARG 7 1.973 10.525 2.542
56 HH12 ARG 7 2HH1 ARG 7 3.635 10.053 2.415
57 HH21 ARG 7 1HH2 ARG 7 3.934 9.149 5.779
58 HH22 ARG 7 2HH2 ARG 7 4.749 9.269 4.258
59 H ARG 8 H ARG 8 -3.776 7.967 6.888
60 HA ARG 8 HA ARG 8 -6.273 9.432 6.484
61 HB3 ARG 8 2HB ARG 8 -7.063 6.886 6.343
62 HG3 ARG 8 2HG ARG 8 -6.103 8.781 4.383
63 HD3 ARG 8 2HD ARG 8 -6.127 5.925 3.468
64 HE ARG 8 HE ARG 8 -4.606 7.817 1.984
65 HH11 ARG 8 1HH1 ARG 8 -7.851 6.718 2.598
66 HH12 ARG 8 2HH1 ARG 8 -8.456 7.229 1.058
67 HH21 ARG 8 1HH2 ARG 8 -5.390 8.496 -0.048
68 HH22 ARG 8 2HH2 ARG 8 -7.055 8.241 -0.447
69 H GLY 9 H GLY 9 -4.667 7.326 8.789
70 HA2 GLY 9 2HA GLY 9 -5.288 7.834 11.151
71 HA3 GLY 9 3HA GLY 9 -6.958 7.705 10.619
72 H GLU 10 H GLU 10 -4.787 5.493 9.176
73 HA GLU 10 HA GLU 10 -5.731 3.376 10.997
74 HB3 GLU 10 2HB GLU 10 -5.707 1.842 9.092
75 HG3 GLU 10 2HG GLU 10 -7.499 4.037 9.318
76 H GLU 11 H GLU 11 -3.049 4.902 9.510
77 HA GLU 11 HA GLU 11 -0.807 4.674 9.887
78 HB3 GLU 11 2HB GLU 11 -0.885 2.211 11.463
79 HG3 GLU 11 2HG GLU 11 0.639 4.561 11.370
80 H ARG 12 H ARG 12 -2.164 1.372 9.851
81 HA ARG 12 HA ARG 12 -0.479 0.815 7.499
82 HB3 ARG 12 2HB ARG 12 0.478 -0.330 9.399
83 HG3 ARG 12 2HG ARG 12 -1.799 -2.130 9.849
84 HD3 ARG 12 2HD ARG 12 -0.254 -0.710 11.962
85 HE ARG 12 HE ARG 12 -1.284 -2.403 13.081
86 HH11 ARG 12 1HH1 ARG 12 -0.291 -3.592 9.963
87 HH12 ARG 12 2HH1 ARG 12 -0.801 -5.217 10.275
88 HH21 ARG 12 1HH2 ARG 12 -1.960 -4.540 13.504
89 HH22 ARG 12 2HH2 ARG 12 -1.751 -5.755 12.289
90 H LYS 13 H LYS 13 -1.321 -0.647 5.961
91 HA LYS 13 HA LYS 13 -4.186 -0.528 5.713
92 HB3 LYS 13 2HB LYS 13 -2.114 -1.852 3.953
93 HG3 LYS 13 2HG LYS 13 -4.571 -0.918 2.703
94 HD3 LYS 13 2HD LYS 13 -2.636 -3.135 2.511
95 HE3 LYS 13 2HE LYS 13 -5.545 -3.453 1.809
96 HZ1 LYS 13 3HZ LYS 13 -3.435 -4.189 0.199
97 HZ2 LYS 13 1HZ LYS 13 -5.033 -4.739 0.096
98 HZ3 LYS 13 2HZ LYS 13 -3.894 -5.611 0.993
99 H ALA 14 H ALA 14 -5.487 -1.932 6.675
100 HA ALA 14 HA ALA 14 -4.847 -4.778 6.568
101 HB1 ALA 14 1HB ALA 14 -5.896 -4.519 9.115
102 HB2 ALA 14 2HB ALA 14 -4.211 -4.838 8.701
103 HB3 ALA 14 3HB ALA 14 -4.752 -3.183 8.987
104 HA PRO 15 HA PRO 15 -9.136 -5.311 5.808
105 HB3 PRO 15 2HB PRO 15 -8.720 -7.560 5.585
106 HG3 PRO 15 2HG PRO 15 -7.194 -8.641 6.968
107 HD3 PRO 15 2HD PRO 15 -5.915 -6.848 6.291
Start of MODEL 7
1 H1 MET 1 H MET 1 5.136 -1.669 2.576
2 HA MET 1 HA MET 1 3.225 0.105 2.893
3 HB3 MET 1 2HB MET 1 1.655 -1.773 3.656
4 HG3 MET 1 2HG MET 1 3.357 -1.876 1.219
5 HE1 MET 1 3HE MET 1 1.901 -4.165 -1.009
6 HE2 MET 1 1HE MET 1 0.338 -4.266 -0.197
7 HE3 MET 1 2HE MET 1 1.104 -2.696 -0.442
8 H TRP 2 H TRP 2 5.031 0.719 4.969
9 HA TRP 2 HA TRP 2 3.308 0.496 7.349
10 HB3 TRP 2 2HB TRP 2 5.458 -0.578 7.706
11 HD1 TRP 2 HD TRP 2 7.073 2.822 8.167
12 HE1 TRP 2 1HE TRP 2 9.174 2.965 6.686
13 HE3 TRP 2 3HE TRP 2 6.437 -1.456 5.440
14 HZ2 TRP 2 2HZ TRP 2 10.398 1.463 4.634
15 HZ3 TRP 2 3HZ TRP 2 8.117 -2.030 3.738
16 HH2 TRP 2 HH TRP 2 10.057 -0.599 3.344
17 H GLN 3 H GLN 3 2.822 2.327 8.522
18 HA GLN 3 HA GLN 3 2.345 4.524 8.864
19 HB3 GLN 3 2HB GLN 3 4.312 6.104 8.086
20 HG3 GLN 3 2HG GLN 3 3.944 5.692 10.412
21 HE21 GLN 3 1HE2 GLN 3 6.599 3.657 10.680
22 HE22 GLN 3 2HE2 GLN 3 5.780 2.238 11.229
23 H ARG 4 H ARG 4 1.699 3.214 6.260
24 HA ARG 4 HA ARG 4 1.783 5.427 4.372
25 HB3 ARG 4 2HB ARG 4 0.231 3.445 3.231
26 HG3 ARG 4 2HG ARG 4 3.182 3.190 3.000
27 HD3 ARG 4 2HD ARG 4 1.380 2.013 1.583
28 HE ARG 4 HE ARG 4 0.657 4.636 0.948
29 HH11 ARG 4 1HH1 ARG 4 1.408 1.638 -0.656
30 HH12 ARG 4 2HH1 ARG 4 0.404 1.969 -2.027
31 HH21 ARG 4 1HH2 ARG 4 -0.669 5.083 -0.854
32 HH22 ARG 4 2HH2 ARG 4 -0.777 3.929 -2.140
33 H ARG 5 H ARG 5 -0.602 3.544 6.189
34 HA ARG 5 HA ARG 5 -2.767 5.237 5.236
35 HB3 ARG 5 2HB ARG 5 -3.906 3.640 7.119
36 HG3 ARG 5 2HG ARG 5 -3.612 3.523 4.235
37 HD3 ARG 5 2HD ARG 5 -4.323 1.233 3.949
38 HE ARG 5 HE ARG 5 -1.974 0.752 5.557
39 HH11 ARG 5 1HH1 ARG 5 -3.225 1.974 2.547
40 HH12 ARG 5 2HH1 ARG 5 -1.731 1.770 1.693
41 HH21 ARG 5 1HH2 ARG 5 -0.003 0.477 4.445
42 HH22 ARG 5 2HH2 ARG 5 0.101 0.917 2.773
43 H GLN 6 H GLN 6 -0.472 5.429 7.605
44 HA GLN 6 HA GLN 6 -1.834 6.238 9.894
45 HB3 GLN 6 2HB GLN 6 0.410 7.822 9.907
46 HG3 GLN 6 2HG GLN 6 0.951 4.990 10.474
47 HE21 GLN 6 1HE2 GLN 6 0.265 8.150 11.943
48 HE22 GLN 6 2HE2 GLN 6 1.696 8.202 12.909
49 H ARG 7 H ARG 7 -1.375 7.860 6.881
50 HA ARG 7 HA ARG 7 -1.918 10.501 7.874
51 HB3 ARG 7 2HB ARG 7 -2.330 10.830 5.281
52 HG3 ARG 7 2HG ARG 7 0.165 10.580 6.816
53 HD3 ARG 7 2HD ARG 7 0.689 11.196 4.016
54 HE ARG 7 HE ARG 7 2.195 9.148 5.373
55 HH11 ARG 7 1HH1 ARG 7 1.726 12.569 4.930
56 HH12 ARG 7 2HH1 ARG 7 3.329 12.987 5.434
57 HH21 ARG 7 1HH2 ARG 7 4.310 9.685 6.039
58 HH22 ARG 7 2HH2 ARG 7 4.798 11.345 6.064
59 H ARG 8 H ARG 8 -3.794 7.790 6.925
60 HA ARG 8 HA ARG 8 -6.195 9.403 6.506
61 HB3 ARG 8 2HB ARG 8 -7.106 6.907 6.227
62 HG3 ARG 8 2HG ARG 8 -6.019 8.847 4.393
63 HD3 ARG 8 2HD ARG 8 -6.121 6.078 3.269
64 HE ARG 8 HE ARG 8 -5.342 8.654 2.258
65 HH11 ARG 8 1HH1 ARG 8 -4.981 5.209 1.909
66 HH12 ARG 8 2HH1 ARG 8 -4.526 5.294 0.239
67 HH21 ARG 8 1HH2 ARG 8 -4.745 8.779 0.061
68 HH22 ARG 8 2HH2 ARG 8 -4.391 7.326 -0.811
69 H GLY 9 H GLY 9 -4.823 7.048 8.736
70 HA2 GLY 9 2HA GLY 9 -5.483 7.494 11.109
71 HA3 GLY 9 3HA GLY 9 -7.137 7.503 10.518
72 H GLU 10 H GLU 10 -5.116 5.225 8.994
73 HA GLU 10 HA GLU 10 -6.226 3.088 10.694
74 HB3 GLU 10 2HB GLU 10 -5.951 1.691 8.532
75 HG3 GLU 10 2HG GLU 10 -8.064 3.789 8.877
76 H GLU 11 H GLU 11 -3.427 4.432 9.183
77 HA GLU 11 HA GLU 11 -1.206 4.026 9.528
78 HB3 GLU 11 2HB GLU 11 -0.476 2.726 11.344
79 HG3 GLU 11 2HG GLU 11 -3.228 3.216 12.369
80 H ARG 12 H ARG 12 -2.811 0.839 9.628
81 HA ARG 12 HA ARG 12 -1.182 0.062 7.298
82 HB3 ARG 12 2HB ARG 12 -1.507 -2.315 8.269
83 HG3 ARG 12 2HG ARG 12 0.615 -0.786 8.364
84 HD3 ARG 12 2HD ARG 12 -0.561 0.101 10.648
85 HE ARG 12 HE ARG 12 -0.153 -1.487 12.243
86 HH11 ARG 12 1HH1 ARG 12 2.634 -1.214 10.173
87 HH12 ARG 12 2HH1 ARG 12 3.621 -2.253 11.147
88 HH21 ARG 12 1HH2 ARG 12 1.137 -2.856 13.532
89 HH22 ARG 12 2HH2 ARG 12 2.768 -3.187 13.057
90 H LYS 13 H LYS 13 -2.144 -1.525 5.873
91 HA LYS 13 HA LYS 13 -4.754 -0.899 5.107
92 HB3 LYS 13 2HB LYS 13 -3.217 -1.830 3.511
93 HG3 LYS 13 2HG LYS 13 -3.361 -4.524 4.802
94 HD3 LYS 13 2HD LYS 13 -1.160 -4.710 3.550
95 HE3 LYS 13 2HE LYS 13 -2.392 -4.731 1.257
96 HZ1 LYS 13 3HZ LYS 13 -3.888 -6.483 2.965
97 HZ2 LYS 13 1HZ LYS 13 -2.228 -6.531 3.283
98 HZ3 LYS 13 2HZ LYS 13 -2.800 -6.855 1.725
99 H ALA 14 H ALA 14 -6.571 -1.314 6.163
100 HA ALA 14 HA ALA 14 -7.043 -4.004 7.189
101 HB1 ALA 14 1HB ALA 14 -6.405 -1.834 8.891
102 HB2 ALA 14 2HB ALA 14 -8.114 -2.207 9.117
103 HB3 ALA 14 3HB ALA 14 -6.901 -3.468 9.335
104 HA PRO 15 HA PRO 15 -11.138 -3.447 5.716
105 HB3 PRO 15 2HB PRO 15 -11.603 -5.572 6.456
106 HG3 PRO 15 2HG PRO 15 -10.735 -6.359 8.464
107 HD3 PRO 15 2HD PRO 15 -8.810 -5.543 7.493
Start of MODEL 8
1 H1 MET 1 H MET 1 4.501 0.593 2.281
2 HA MET 1 HA MET 1 2.954 -1.576 3.239
3 HB3 MET 1 2HB MET 1 5.213 -2.255 4.285
4 HG3 MET 1 2HG MET 1 6.295 -2.484 1.943
5 HE1 MET 1 3HE MET 1 6.348 -4.503 3.775
6 HE2 MET 1 1HE MET 1 5.651 -5.986 3.122
7 HE3 MET 1 2HE MET 1 6.712 -4.996 2.121
8 H TRP 2 H TRP 2 4.912 0.852 4.967
9 HA TRP 2 HA TRP 2 3.195 0.410 7.319
10 HB3 TRP 2 2HB TRP 2 5.322 -0.609 7.807
11 HD1 TRP 2 HD TRP 2 6.564 3.059 7.588
12 HE1 TRP 2 1HE TRP 2 8.852 3.050 6.408
13 HE3 TRP 2 3HE TRP 2 6.877 -1.918 6.462
14 HZ2 TRP 2 2HZ TRP 2 10.562 1.182 5.164
15 HZ3 TRP 2 3HZ TRP 2 8.872 -2.735 5.275
16 HH2 TRP 2 HH TRP 2 10.675 -1.215 4.640
17 H GLN 3 H GLN 3 2.708 2.218 8.576
18 HA GLN 3 HA GLN 3 2.141 4.397 8.915
19 HB3 GLN 3 2HB GLN 3 4.060 6.049 8.248
20 HG3 GLN 3 2HG GLN 3 4.424 3.888 10.307
21 HE21 GLN 3 1HE2 GLN 3 5.788 4.580 12.114
22 HE22 GLN 3 2HE2 GLN 3 7.218 5.487 11.771
23 H ARG 4 H ARG 4 1.544 3.115 6.302
24 HA ARG 4 HA ARG 4 1.634 5.337 4.427
25 HB3 ARG 4 2HB ARG 4 0.122 3.372 3.235
26 HG3 ARG 4 2HG ARG 4 3.066 3.049 3.092
27 HD3 ARG 4 2HD ARG 4 1.083 3.557 0.895
28 HE ARG 4 HE ARG 4 3.805 3.048 0.829
29 HH11 ARG 4 1HH1 ARG 4 0.897 1.701 -0.531
30 HH12 ARG 4 2HH1 ARG 4 1.681 1.120 -1.963
31 HH21 ARG 4 1HH2 ARG 4 4.848 2.287 -1.051
32 HH22 ARG 4 2HH2 ARG 4 3.928 1.452 -2.257
33 H ARG 5 H ARG 5 -0.701 3.536 6.348
34 HA ARG 5 HA ARG 5 -2.879 5.212 5.347
35 HB3 ARG 5 2HB ARG 5 -3.997 3.527 7.206
36 HG3 ARG 5 2HG ARG 5 -3.526 2.916 4.296
37 HD3 ARG 5 2HD ARG 5 -4.765 1.389 6.365
38 HE ARG 5 HE ARG 5 -6.933 2.055 6.001
39 HH11 ARG 5 1HH1 ARG 5 -5.298 1.669 2.952
40 HH12 ARG 5 2HH1 ARG 5 -6.743 1.824 2.008
41 HH21 ARG 5 1HH2 ARG 5 -8.842 2.260 4.770
42 HH22 ARG 5 2HH2 ARG 5 -8.758 2.161 3.043
43 H GLN 6 H GLN 6 -0.626 5.257 7.785
44 HA GLN 6 HA GLN 6 -2.037 6.023 10.060
45 HB3 GLN 6 2HB GLN 6 0.342 5.516 10.118
46 HG3 GLN 6 2HG GLN 6 0.705 6.930 7.900
47 HE21 GLN 6 1HE2 GLN 6 2.698 8.611 7.749
48 HE22 GLN 6 2HE2 GLN 6 2.328 10.140 8.463
49 H ARG 7 H ARG 7 -1.422 7.740 7.129
50 HA ARG 7 HA ARG 7 -1.882 10.364 8.184
51 HB3 ARG 7 2HB ARG 7 -2.290 10.754 5.587
52 HG3 ARG 7 2HG ARG 7 0.211 10.402 7.115
53 HD3 ARG 7 2HD ARG 7 0.667 11.174 4.331
54 HE ARG 7 HE ARG 7 2.255 9.104 5.547
55 HH11 ARG 7 1HH1 ARG 7 1.683 12.531 5.331
56 HH12 ARG 7 2HH1 ARG 7 3.285 12.963 5.829
57 HH21 ARG 7 1HH2 ARG 7 4.367 9.659 6.204
58 HH22 ARG 7 2HH2 ARG 7 4.811 11.328 6.325
59 H ARG 8 H ARG 8 -3.869 7.765 7.136
60 HA ARG 8 HA ARG 8 -6.198 9.494 6.780
61 HB3 ARG 8 2HB ARG 8 -7.264 7.133 6.339
62 HG3 ARG 8 2HG ARG 8 -5.935 8.991 4.643
63 HD3 ARG 8 2HD ARG 8 -5.933 6.363 3.297
64 HE ARG 8 HE ARG 8 -4.964 8.875 2.672
65 HH11 ARG 8 1HH1 ARG 8 -3.762 5.607 2.728
66 HH12 ARG 8 2HH1 ARG 8 -2.634 5.862 1.438
67 HH21 ARG 8 1HH2 ARG 8 -3.482 9.222 0.973
68 HH22 ARG 8 2HH2 ARG 8 -2.475 7.919 0.441
69 H GLY 9 H GLY 9 -4.889 7.068 8.953
70 HA2 GLY 9 2HA GLY 9 -5.555 7.437 11.327
71 HA3 GLY 9 3HA GLY 9 -7.206 7.517 10.733
72 H GLU 10 H GLU 10 -5.305 5.228 9.106
73 HA GLU 10 HA GLU 10 -6.470 3.072 10.745
74 HB3 GLU 10 2HB GLU 10 -6.630 1.722 8.742
75 HG3 GLU 10 2HG GLU 10 -8.250 3.839 9.188
76 H GLU 11 H GLU 11 -3.615 4.432 9.434
77 HA GLU 11 HA GLU 11 -1.417 3.939 9.818
78 HB3 GLU 11 2HB GLU 11 -2.141 1.400 11.232
79 HG3 GLU 11 2HG GLU 11 0.024 3.442 11.459
80 H ARG 12 H ARG 12 -3.113 0.818 9.453
81 HA ARG 12 HA ARG 12 -1.576 0.358 6.994
82 HB3 ARG 12 2HB ARG 12 -1.682 -2.156 7.908
83 HG3 ARG 12 2HG ARG 12 0.357 -0.674 7.329
84 HD3 ARG 12 2HD ARG 12 -0.136 0.397 9.788
85 HE ARG 12 HE ARG 12 0.837 -0.963 11.332
86 HH11 ARG 12 1HH1 ARG 12 2.686 -1.139 8.387
87 HH12 ARG 12 2HH1 ARG 12 3.914 -2.155 9.067
88 HH21 ARG 12 1HH2 ARG 12 2.447 -2.300 12.237
89 HH22 ARG 12 2HH2 ARG 12 3.778 -2.815 11.256
90 H LYS 13 H LYS 13 -2.545 -1.152 5.523
91 HA LYS 13 HA LYS 13 -5.308 -0.825 5.211
92 HB3 LYS 13 2HB LYS 13 -3.542 -2.961 3.998
93 HG3 LYS 13 2HG LYS 13 -5.227 -2.415 2.042
94 HD3 LYS 13 2HD LYS 13 -6.335 -4.197 4.159
95 HE3 LYS 13 2HE LYS 13 -7.234 -4.070 1.818
96 HZ1 LYS 13 3HZ LYS 13 -5.552 -5.721 0.473
97 HZ2 LYS 13 1HZ LYS 13 -4.487 -4.639 1.220
98 HZ3 LYS 13 2HZ LYS 13 -5.712 -4.057 0.210
99 H ALA 14 H ALA 14 -6.884 -1.675 6.385
100 HA ALA 14 HA ALA 14 -6.758 -4.505 7.112
101 HB1 ALA 14 1HB ALA 14 -6.753 -4.229 9.332
102 HB2 ALA 14 2HB ALA 14 -6.136 -2.614 8.982
103 HB3 ALA 14 3HB ALA 14 -7.860 -2.858 9.261
104 HA PRO 15 HA PRO 15 -11.013 -4.599 6.047
105 HB3 PRO 15 2HB PRO 15 -10.982 -6.849 6.508
106 HG3 PRO 15 2HG PRO 15 -9.765 -7.688 8.303
107 HD3 PRO 15 2HD PRO 15 -8.149 -6.384 7.304
Start of MODEL 9
1 H1 MET 1 H MET 1 2.725 -1.024 1.685
2 HA MET 1 HA MET 1 1.359 -1.081 3.594
3 HB3 MET 1 2HB MET 1 1.677 -3.362 2.819
4 HG3 MET 1 2HG MET 1 4.114 -3.341 4.572
5 HE1 MET 1 3HE MET 1 4.721 -6.002 6.028
6 HE2 MET 1 1HE MET 1 5.269 -6.832 4.570
7 HE3 MET 1 2HE MET 1 5.567 -5.104 4.768
8 H TRP 2 H TRP 2 3.544 0.651 4.152
9 HA TRP 2 HA TRP 2 3.652 0.313 7.041
10 HB3 TRP 2 2HB TRP 2 6.118 0.581 5.314
11 HD1 TRP 2 HD TRP 2 5.401 0.160 9.118
12 HE1 TRP 2 1HE TRP 2 7.087 1.624 10.398
13 HE3 TRP 2 3HE TRP 2 7.883 2.205 5.143
14 HZ2 TRP 2 2HZ TRP 2 9.190 3.410 9.802
15 HZ3 TRP 2 3HZ TRP 2 9.719 3.783 5.584
16 HH2 TRP 2 HH TRP 2 10.357 4.371 7.867
17 H GLN 3 H GLN 3 2.929 2.162 7.846
18 HA GLN 3 HA GLN 3 2.503 4.375 8.153
19 HB3 GLN 3 2HB GLN 3 4.399 5.914 7.155
20 HG3 GLN 3 2HG GLN 3 5.979 4.755 9.013
21 HE21 GLN 3 1HE2 GLN 3 5.990 5.903 11.025
22 HE22 GLN 3 2HE2 GLN 3 5.159 7.410 11.164
23 H ARG 4 H ARG 4 1.659 2.965 5.644
24 HA ARG 4 HA ARG 4 1.562 5.126 3.697
25 HB3 ARG 4 2HB ARG 4 -0.031 3.108 2.712
26 HG3 ARG 4 2HG ARG 4 2.910 2.869 2.331
27 HD3 ARG 4 2HD ARG 4 0.467 2.767 0.580
28 HE ARG 4 HE ARG 4 3.099 3.407 -0.273
29 HH11 ARG 4 1HH1 ARG 4 0.302 1.505 -1.096
30 HH12 ARG 4 2HH1 ARG 4 0.645 1.497 -2.794
31 HH21 ARG 4 1HH2 ARG 4 3.562 3.405 -2.507
32 HH22 ARG 4 2HH2 ARG 4 2.500 2.578 -3.595
33 H ARG 5 H ARG 5 -0.596 3.329 5.832
34 HA ARG 5 HA ARG 5 -2.868 4.958 4.988
35 HB3 ARG 5 2HB ARG 5 -4.018 3.431 6.778
36 HG3 ARG 5 2HG ARG 5 -3.177 1.637 4.643
37 HD3 ARG 5 2HD ARG 5 -5.227 1.318 5.907
38 HE ARG 5 HE ARG 5 -5.658 3.962 5.876
39 HH11 ARG 5 1HH1 ARG 5 -7.461 1.302 4.537
40 HH12 ARG 5 2HH1 ARG 5 -8.995 2.093 4.694
41 HH21 ARG 5 1HH2 ARG 5 -7.671 5.012 6.090
42 HH22 ARG 5 2HH2 ARG 5 -9.113 4.203 5.577
43 H GLN 6 H GLN 6 -0.400 5.165 7.185
44 HA GLN 6 HA GLN 6 -1.592 5.990 9.560
45 HB3 GLN 6 2HB GLN 6 0.690 7.598 9.219
46 HG3 GLN 6 2HG GLN 6 1.139 4.885 10.253
47 HE21 GLN 6 1HE2 GLN 6 2.689 4.933 11.769
48 HE22 GLN 6 2HE2 GLN 6 3.408 6.373 12.395
49 H ARG 7 H ARG 7 -1.193 7.666 6.533
50 HA ARG 7 HA ARG 7 -1.684 10.290 7.514
51 HB3 ARG 7 2HB ARG 7 -2.380 10.570 4.973
52 HG3 ARG 7 2HG ARG 7 0.273 10.312 6.222
53 HD3 ARG 7 2HD ARG 7 0.442 10.901 3.366
54 HE ARG 7 HE ARG 7 2.137 8.899 4.559
55 HH11 ARG 7 1HH1 ARG 7 1.566 12.305 4.114
56 HH12 ARG 7 2HH1 ARG 7 3.214 12.752 4.403
57 HH21 ARG 7 1HH2 ARG 7 4.311 9.476 4.940
58 HH22 ARG 7 2HH2 ARG 7 4.775 11.142 4.872
59 H ARG 8 H ARG 8 -3.697 7.597 6.858
60 HA ARG 8 HA ARG 8 -6.104 9.245 6.660
61 HB3 ARG 8 2HB ARG 8 -7.134 6.827 6.505
62 HG3 ARG 8 2HG ARG 8 -6.014 8.585 4.530
63 HD3 ARG 8 2HD ARG 8 -6.243 5.756 3.580
64 HE ARG 8 HE ARG 8 -5.895 6.921 1.654
65 HH11 ARG 8 1HH1 ARG 8 -3.974 8.359 4.175
66 HH12 ARG 8 2HH1 ARG 8 -3.197 9.492 3.116
67 HH21 ARG 8 1HH2 ARG 8 -4.881 8.405 0.251
68 HH22 ARG 8 2HH2 ARG 8 -3.715 9.517 0.885
69 H GLY 9 H GLY 9 -4.517 6.945 8.799
70 HA2 GLY 9 2HA GLY 9 -4.907 7.471 11.214
71 HA3 GLY 9 3HA GLY 9 -6.618 7.482 10.809
72 H GLU 10 H GLU 10 -4.800 5.134 9.145
73 HA GLU 10 HA GLU 10 -5.722 3.064 11.030
74 HB3 GLU 10 2HB GLU 10 -6.210 1.616 9.215
75 HG3 GLU 10 2HG GLU 10 -7.952 2.637 8.119
76 H GLU 11 H GLU 11 -3.075 4.444 9.407
77 HA GLU 11 HA GLU 11 -0.837 4.020 9.570
78 HB3 GLU 11 2HB GLU 11 -1.348 1.474 11.068
79 HG3 GLU 11 2HG GLU 11 0.636 3.613 11.730
80 H ARG 12 H ARG 12 -2.462 0.845 9.398
81 HA ARG 12 HA ARG 12 -1.004 0.351 6.885
82 HB3 ARG 12 2HB ARG 12 -1.491 -2.159 7.833
83 HG3 ARG 12 2HG ARG 12 0.869 -0.383 7.912
84 HD3 ARG 12 2HD ARG 12 1.017 -1.420 10.102
85 HE ARG 12 HE ARG 12 -0.242 -3.593 9.147
86 HH11 ARG 12 1HH1 ARG 12 2.930 -3.131 10.506
87 HH12 ARG 12 2HH1 ARG 12 3.021 -4.730 11.169
88 HH21 ARG 12 1HH2 ARG 12 -0.133 -5.699 10.014
89 HH22 ARG 12 2HH2 ARG 12 1.279 -6.190 10.887
90 H LYS 13 H LYS 13 -2.063 -1.098 5.383
91 HA LYS 13 HA LYS 13 -4.738 -0.454 4.915
92 HB3 LYS 13 2HB LYS 13 -3.333 -1.171 3.102
93 HG3 LYS 13 2HG LYS 13 -3.301 -3.959 4.216
94 HD3 LYS 13 2HD LYS 13 -1.250 -3.908 2.579
95 HE3 LYS 13 2HE LYS 13 -3.591 -5.089 2.429
96 HZ1 LYS 13 3HZ LYS 13 -5.118 -4.135 1.159
97 HZ2 LYS 13 1HZ LYS 13 -4.012 -3.842 -0.088
98 HZ3 LYS 13 2HZ LYS 13 -4.189 -2.721 1.165
99 H ALA 14 H ALA 14 -6.476 -1.048 6.017
100 HA ALA 14 HA ALA 14 -6.564 -3.769 7.146
101 HB1 ALA 14 1HB ALA 14 -8.305 -2.381 8.715
102 HB2 ALA 14 2HB ALA 14 -6.626 -2.728 9.131
103 HB3 ALA 14 3HB ALA 14 -7.054 -1.174 8.414
104 HA PRO 15 HA PRO 15 -10.361 -4.473 5.064
105 HB3 PRO 15 2HB PRO 15 -10.428 -6.537 6.069
106 HG3 PRO 15 2HG PRO 15 -9.750 -6.820 8.275
107 HD3 PRO 15 2HD PRO 15 -7.937 -5.661 7.448
Start of MODEL 10
1 H1 MET 1 H MET 1 4.554 -1.535 2.435
2 HA MET 1 HA MET 1 2.477 0.260 2.938
3 HB3 MET 1 2HB MET 1 1.988 -2.044 2.467
4 HG3 MET 1 2HG MET 1 4.061 -2.650 4.234
5 HE1 MET 1 3HE MET 1 1.480 -5.736 5.174
6 HE2 MET 1 1HE MET 1 0.199 -4.582 5.546
7 HE3 MET 1 2HE MET 1 0.966 -4.568 3.957
8 H TRP 2 H TRP 2 4.807 1.119 4.336
9 HA TRP 2 HA TRP 2 3.962 0.851 7.144
10 HB3 TRP 2 2HB TRP 2 6.230 1.525 7.758
11 HD1 TRP 2 HD TRP 2 5.233 -1.208 8.170
12 HE1 TRP 2 1HE TRP 2 6.467 -3.346 7.441
13 HE3 TRP 2 3HE TRP 2 8.267 0.793 4.574
14 HZ2 TRP 2 2HZ TRP 2 8.463 -4.086 5.587
15 HZ3 TRP 2 3HZ TRP 2 9.810 -0.698 3.370
16 HH2 TRP 2 HH TRP 2 9.905 -3.087 3.868
17 H GLN 3 H GLN 3 3.052 2.547 8.094
18 HA GLN 3 HA GLN 3 2.271 4.651 8.471
19 HB3 GLN 3 2HB GLN 3 3.989 6.504 7.739
20 HG3 GLN 3 2HG GLN 3 3.611 5.314 10.070
21 HE21 GLN 3 1HE2 GLN 3 5.016 4.540 11.797
22 HE22 GLN 3 2HE2 GLN 3 6.212 3.348 11.429
23 H ARG 4 H ARG 4 1.753 3.316 5.870
24 HA ARG 4 HA ARG 4 1.552 5.538 4.001
25 HB3 ARG 4 2HB ARG 4 0.229 3.398 2.861
26 HG3 ARG 4 2HG ARG 4 3.187 3.500 2.597
27 HD3 ARG 4 2HD ARG 4 1.524 2.114 1.196
28 HE ARG 4 HE ARG 4 0.498 4.637 0.565
29 HH11 ARG 4 1HH1 ARG 4 1.559 1.730 -1.030
30 HH12 ARG 4 2HH1 ARG 4 0.503 1.935 -2.389
31 HH21 ARG 4 1HH2 ARG 4 -0.898 4.917 -1.218
32 HH22 ARG 4 2HH2 ARG 4 -0.892 3.748 -2.495
33 H ARG 5 H ARG 5 -0.463 3.640 6.126
34 HA ARG 5 HA ARG 5 -2.887 4.906 5.091
35 HB3 ARG 5 2HB ARG 5 -4.120 3.283 6.279
36 HG3 ARG 5 2HG ARG 5 -3.207 1.137 5.702
37 HD3 ARG 5 2HD ARG 5 -2.681 1.473 3.362
38 HE ARG 5 HE ARG 5 -4.860 2.969 4.512
39 HH11 ARG 5 1HH1 ARG 5 -3.278 1.971 1.575
40 HH12 ARG 5 2HH1 ARG 5 -4.692 2.167 0.592
41 HH21 ARG 5 1HH2 ARG 5 -6.727 3.232 3.229
42 HH22 ARG 5 2HH2 ARG 5 -6.653 2.885 1.534
43 H GLN 6 H GLN 6 -0.545 5.522 7.361
44 HA GLN 6 HA GLN 6 -1.912 6.350 9.633
45 HB3 GLN 6 2HB GLN 6 0.251 8.162 9.038
46 HG3 GLN 6 2HG GLN 6 0.642 5.835 10.825
47 HE21 GLN 6 1HE2 GLN 6 0.279 8.027 12.936
48 HE22 GLN 6 2HE2 GLN 6 1.782 8.879 12.891
49 H ARG 7 H ARG 7 -1.543 7.908 6.528
50 HA ARG 7 HA ARG 7 -2.420 10.489 7.343
51 HB3 ARG 7 2HB ARG 7 -2.946 10.606 4.764
52 HG3 ARG 7 2HG ARG 7 -0.390 10.679 6.199
53 HD3 ARG 7 2HD ARG 7 0.106 11.124 3.396
54 HE ARG 7 HE ARG 7 1.578 9.082 4.800
55 HH11 ARG 7 1HH1 ARG 7 1.152 12.500 4.294
56 HH12 ARG 7 2HH1 ARG 7 2.758 12.908 4.803
57 HH21 ARG 7 1HH2 ARG 7 3.695 9.606 5.472
58 HH22 ARG 7 2HH2 ARG 7 4.203 11.260 5.471
59 H ARG 8 H ARG 8 -4.030 7.536 6.631
60 HA ARG 8 HA ARG 8 -6.604 8.866 6.238
61 HB3 ARG 8 2HB ARG 8 -7.242 6.265 6.135
62 HG3 ARG 8 2HG ARG 8 -6.529 8.231 4.166
63 HD3 ARG 8 2HD ARG 8 -6.321 5.492 3.043
64 HE ARG 8 HE ARG 8 -6.022 6.933 1.294
65 HH11 ARG 8 1HH1 ARG 8 -4.160 8.054 4.014
66 HH12 ARG 8 2HH1 ARG 8 -3.364 9.306 3.118
67 HH21 ARG 8 1HH2 ARG 8 -4.980 8.577 0.105
68 HH22 ARG 8 2HH2 ARG 8 -3.832 9.603 0.895
69 H GLY 9 H GLY 9 -4.868 6.874 8.547
70 HA2 GLY 9 2HA GLY 9 -5.500 7.361 10.909
71 HA3 GLY 9 3HA GLY 9 -7.165 7.138 10.391
72 H GLU 10 H GLU 10 -4.893 5.035 8.944
73 HA GLU 10 HA GLU 10 -5.708 2.883 10.786
74 HB3 GLU 10 2HB GLU 10 -5.783 1.354 8.963
75 HG3 GLU 10 2HG GLU 10 -7.326 2.390 7.320
76 H GLU 11 H GLU 11 -3.122 4.552 9.300
77 HA GLU 11 HA GLU 11 -0.869 4.448 9.674
78 HB3 GLU 11 2HB GLU 11 -1.133 1.950 11.295
79 HG3 GLU 11 2HG GLU 11 0.332 4.362 12.194
80 H ARG 12 H ARG 12 -2.049 1.079 9.601
81 HA ARG 12 HA ARG 12 -0.390 0.651 7.207
82 HB3 ARG 12 2HB ARG 12 0.836 -0.438 8.897
83 HG3 ARG 12 2HG ARG 12 -0.796 -2.341 10.090
84 HD3 ARG 12 2HD ARG 12 -0.001 0.285 11.322
85 HE ARG 12 HE ARG 12 -0.709 -0.877 13.149
86 HH11 ARG 12 1HH1 ARG 12 0.892 -3.084 10.985
87 HH12 ARG 12 2HH1 ARG 12 0.797 -4.428 12.075
88 HH21 ARG 12 1HH2 ARG 12 -0.840 -2.638 14.593
89 HH22 ARG 12 2HH2 ARG 12 -0.190 -4.173 14.126
90 H LYS 13 H LYS 13 -1.128 -1.022 5.780
91 HA LYS 13 HA LYS 13 -3.886 -0.976 5.300
92 HB3 LYS 13 2HB LYS 13 -3.299 -3.009 3.793
93 HG3 LYS 13 2HG LYS 13 -1.546 -0.706 3.117
94 HD3 LYS 13 2HD LYS 13 -2.302 -2.795 1.673
95 HE3 LYS 13 2HE LYS 13 -4.594 -0.867 1.536
96 HZ1 LYS 13 3HZ LYS 13 -5.176 -2.392 -0.478
97 HZ2 LYS 13 1HZ LYS 13 -3.496 -2.522 -0.622
98 HZ3 LYS 13 2HZ LYS 13 -4.237 -1.004 -0.701
99 H ALA 14 H ALA 14 -5.441 -1.899 6.448
100 HA ALA 14 HA ALA 14 -5.123 -4.668 7.320
101 HB1 ALA 14 1HB ALA 14 -4.575 -3.857 9.371
102 HB2 ALA 14 2HB ALA 14 -5.429 -2.334 9.121
103 HB3 ALA 14 3HB ALA 14 -6.331 -3.796 9.519
104 HA PRO 15 HA PRO 15 -9.322 -5.126 6.128
105 HB3 PRO 15 2HB PRO 15 -9.139 -7.347 6.686
106 HG3 PRO 15 2HG PRO 15 -7.925 -8.019 8.552
107 HD3 PRO 15 2HD PRO 15 -6.377 -6.637 7.548
Start of MODEL 11
1 H1 MET 1 H MET 1 5.019 -1.260 3.404
2 HA MET 1 HA MET 1 2.290 -0.260 2.913
3 HB3 MET 1 2HB MET 1 2.456 -2.564 2.160
4 HG3 MET 1 2HG MET 1 3.343 -3.219 4.961
5 HE1 MET 1 3HE MET 1 4.191 -6.534 2.442
6 HE2 MET 1 1HE MET 1 3.064 -5.711 1.364
7 HE3 MET 1 2HE MET 1 4.448 -4.840 2.023
8 H TRP 2 H TRP 2 4.139 0.899 4.721
9 HA TRP 2 HA TRP 2 2.693 0.439 7.231
10 HB3 TRP 2 2HB TRP 2 4.742 -0.791 7.524
11 HD1 TRP 2 HD TRP 2 6.455 2.664 7.491
12 HE1 TRP 2 1HE TRP 2 8.576 2.498 6.042
13 HE3 TRP 2 3HE TRP 2 5.859 -2.097 5.728
14 HZ2 TRP 2 2HZ TRP 2 9.829 0.598 4.371
15 HZ3 TRP 2 3HZ TRP 2 7.564 -3.014 4.208
16 HH2 TRP 2 HH TRP 2 9.507 -1.693 3.545
17 H GLN 3 H GLN 3 2.226 2.259 8.365
18 HA GLN 3 HA GLN 3 1.900 4.470 8.785
19 HB3 GLN 3 2HB GLN 3 4.022 5.922 8.155
20 HG3 GLN 3 2HG GLN 3 3.863 3.859 10.321
21 HE21 GLN 3 1HE2 GLN 3 5.530 6.951 9.890
22 HE22 GLN 3 2HE2 GLN 3 7.062 6.404 10.470
23 H ARG 4 H ARG 4 1.334 3.304 6.078
24 HA ARG 4 HA ARG 4 1.651 5.597 4.314
25 HB3 ARG 4 2HB ARG 4 0.075 3.765 2.979
26 HG3 ARG 4 2HG ARG 4 3.016 3.351 2.927
27 HD3 ARG 4 2HD ARG 4 1.003 3.846 0.740
28 HE ARG 4 HE ARG 4 3.426 2.393 0.182
29 HH11 ARG 4 1HH1 ARG 4 1.909 5.524 0.293
30 HH12 ARG 4 2HH1 ARG 4 3.008 6.241 -0.837
31 HH21 ARG 4 1HH2 ARG 4 4.879 3.325 -1.308
32 HH22 ARG 4 2HH2 ARG 4 4.697 4.989 -1.749
33 H ARG 5 H ARG 5 -0.880 3.861 6.037
34 HA ARG 5 HA ARG 5 -2.925 5.654 4.984
35 HB3 ARG 5 2HB ARG 5 -4.509 4.212 6.197
36 HG3 ARG 5 2HG ARG 5 -3.663 1.930 5.155
37 HD3 ARG 5 2HD ARG 5 -4.466 2.784 2.917
38 HE ARG 5 HE ARG 5 -6.460 3.645 4.826
39 HH11 ARG 5 1HH1 ARG 5 -4.899 0.956 3.257
40 HH12 ARG 5 2HH1 ARG 5 -6.207 -0.141 3.548
41 HH21 ARG 5 1HH2 ARG 5 -8.189 2.208 5.215
42 HH22 ARG 5 2HH2 ARG 5 -8.078 0.572 4.661
43 H GLN 6 H GLN 6 -0.739 5.657 7.474
44 HA GLN 6 HA GLN 6 -2.152 6.504 9.710
45 HB3 GLN 6 2HB GLN 6 0.247 7.994 9.638
46 HG3 GLN 6 2HG GLN 6 0.448 5.298 10.754
47 HE21 GLN 6 1HE2 GLN 6 1.899 5.354 12.330
48 HE22 GLN 6 2HE2 GLN 6 2.493 6.782 13.099
49 H ARG 7 H ARG 7 -1.232 8.256 6.826
50 HA ARG 7 HA ARG 7 -1.758 10.862 7.826
51 HB3 ARG 7 2HB ARG 7 -2.043 11.284 5.237
52 HG3 ARG 7 2HG ARG 7 0.370 10.794 6.839
53 HD3 ARG 7 2HD ARG 7 1.067 11.423 4.089
54 HE ARG 7 HE ARG 7 2.282 9.176 5.424
55 HH11 ARG 7 1HH1 ARG 7 2.200 12.642 5.101
56 HH12 ARG 7 2HH1 ARG 7 3.814 12.866 5.689
57 HH21 ARG 7 1HH2 ARG 7 4.409 9.458 6.199
58 HH22 ARG 7 2HH2 ARG 7 5.070 11.054 6.313
59 H ARG 8 H ARG 8 -3.764 8.301 6.715
60 HA ARG 8 HA ARG 8 -6.043 10.081 6.286
61 HB3 ARG 8 2HB ARG 8 -7.104 7.673 5.853
62 HG3 ARG 8 2HG ARG 8 -5.756 9.581 4.145
63 HD3 ARG 8 2HD ARG 8 -6.096 6.850 2.961
64 HE ARG 8 HE ARG 8 -5.528 9.275 1.805
65 HH11 ARG 8 1HH1 ARG 8 -3.971 6.168 2.021
66 HH12 ARG 8 2HH1 ARG 8 -3.173 6.316 0.490
67 HH21 ARG 8 1HH2 ARG 8 -4.483 9.481 -0.212
68 HH22 ARG 8 2HH2 ARG 8 -3.464 8.201 -0.779
69 H GLY 9 H GLY 9 -4.853 7.628 8.493
70 HA2 GLY 9 2HA GLY 9 -5.594 8.001 10.843
71 HA3 GLY 9 3HA GLY 9 -7.224 8.108 10.193
72 H GLU 10 H GLU 10 -5.188 5.790 8.714
73 HA GLU 10 HA GLU 10 -6.503 3.651 10.258
74 HB3 GLU 10 2HB GLU 10 -5.929 2.402 7.946
75 HG3 GLU 10 2HG GLU 10 -8.328 3.781 7.372
76 H GLU 11 H GLU 11 -3.558 4.974 9.109
77 HA GLU 11 HA GLU 11 -1.392 4.463 9.625
78 HB3 GLU 11 2HB GLU 11 -2.230 1.955 11.034
79 HG3 GLU 11 2HG GLU 11 -0.403 3.926 12.247
80 H ARG 12 H ARG 12 -3.082 1.343 9.229
81 HA ARG 12 HA ARG 12 -1.598 0.871 6.763
82 HB3 ARG 12 2HB ARG 12 -0.189 -0.087 8.535
83 HG3 ARG 12 2HG ARG 12 -2.211 -2.198 9.082
84 HD3 ARG 12 2HD ARG 12 -0.983 -2.353 11.184
85 HE ARG 12 HE ARG 12 0.308 -2.811 8.695
86 HH11 ARG 12 1HH1 ARG 12 0.857 -2.738 12.133
87 HH12 ARG 12 2HH1 ARG 12 2.171 -3.866 12.078
88 HH21 ARG 12 1HH2 ARG 12 2.036 -4.298 8.611
89 HH22 ARG 12 2HH2 ARG 12 2.842 -4.752 10.075
90 H LYS 13 H LYS 13 -2.484 -0.837 5.466
91 HA LYS 13 HA LYS 13 -5.288 -0.888 5.420
92 HB3 LYS 13 2HB LYS 13 -4.031 -1.241 3.395
93 HG3 LYS 13 2HG LYS 13 -3.186 -3.970 4.261
94 HD3 LYS 13 2HD LYS 13 -1.364 -3.396 2.580
95 HE3 LYS 13 2HE LYS 13 -2.777 -3.865 0.648
96 HZ1 LYS 13 3HZ LYS 13 -2.379 -5.576 2.496
97 HZ2 LYS 13 1HZ LYS 13 -3.575 -5.904 1.345
98 HZ3 LYS 13 2HZ LYS 13 -4.010 -5.344 2.880
99 H ALA 14 H ALA 14 -6.614 -1.898 6.765
100 HA ALA 14 HA ALA 14 -6.043 -4.653 7.543
101 HB1 ALA 14 1HB ALA 14 -7.085 -3.460 9.865
102 HB2 ALA 14 2HB ALA 14 -5.477 -4.144 9.626
103 HB3 ALA 14 3HB ALA 14 -5.761 -2.430 9.323
104 HA PRO 15 HA PRO 15 -10.351 -5.290 7.006
105 HB3 PRO 15 2HB PRO 15 -9.989 -7.505 7.498
106 HG3 PRO 15 2HG PRO 15 -8.473 -8.135 9.146
107 HD3 PRO 15 2HD PRO 15 -7.160 -6.678 7.935
Start of MODEL 12
1 H1 MET 1 H MET 1 6.301 -0.762 2.955
2 HA MET 1 HA MET 1 3.794 0.465 2.029
3 HB3 MET 1 2HB MET 1 3.608 -1.728 1.193
4 HG3 MET 1 2HG MET 1 4.807 -2.628 3.787
5 HE1 MET 1 3HE MET 1 4.534 -6.360 1.807
6 HE2 MET 1 1HE MET 1 4.101 -5.189 0.560
7 HE3 MET 1 2HE MET 1 5.556 -4.950 1.528
8 H TRP 2 H TRP 2 5.684 1.048 4.247
9 HA TRP 2 HA TRP 2 3.953 0.494 6.558
10 HB3 TRP 2 2HB TRP 2 6.767 1.582 6.652
11 HD1 TRP 2 HD TRP 2 4.017 -0.273 8.650
12 HE1 TRP 2 1HE TRP 2 4.432 0.149 11.155
13 HE3 TRP 2 3HE TRP 2 8.399 2.339 8.316
14 HZ2 TRP 2 2HZ TRP 2 6.362 1.423 12.774
15 HZ3 TRP 2 3HZ TRP 2 9.464 3.124 10.390
16 HH2 TRP 2 HH TRP 2 8.466 2.675 12.571
17 H GLN 3 H GLN 3 3.200 2.146 7.861
18 HA GLN 3 HA GLN 3 2.384 4.212 8.350
19 HB3 GLN 3 2HB GLN 3 3.937 6.140 7.983
20 HG3 GLN 3 2HG GLN 3 5.613 3.926 9.059
21 HE21 GLN 3 1HE2 GLN 3 6.499 6.350 8.140
22 HE22 GLN 3 2HE2 GLN 3 6.934 7.353 9.476
23 H ARG 4 H ARG 4 1.563 3.028 5.898
24 HA ARG 4 HA ARG 4 1.465 5.195 3.959
25 HB3 ARG 4 2HB ARG 4 -0.186 3.197 3.011
26 HG3 ARG 4 2HG ARG 4 2.755 2.987 2.556
27 HD3 ARG 4 2HD ARG 4 0.821 1.657 1.394
28 HE ARG 4 HE ARG 4 -0.545 3.031 0.198
29 HH11 ARG 4 1HH1 ARG 4 2.706 4.260 -0.001
30 HH12 ARG 4 2HH1 ARG 4 2.300 5.520 -1.118
31 HH21 ARG 4 1HH2 ARG 4 -1.093 4.688 -1.272
32 HH22 ARG 4 2HH2 ARG 4 0.139 5.764 -1.840
33 H ARG 5 H ARG 5 -0.688 3.424 6.122
34 HA ARG 5 HA ARG 5 -2.960 5.060 5.313
35 HB3 ARG 5 2HB ARG 5 -3.852 3.525 7.396
36 HG3 ARG 5 2HG ARG 5 -3.967 3.354 4.497
37 HD3 ARG 5 2HD ARG 5 -4.776 1.076 4.382
38 HE ARG 5 HE ARG 5 -2.224 0.568 5.628
39 HH11 ARG 5 1HH1 ARG 5 -3.881 1.771 2.813
40 HH12 ARG 5 2HH1 ARG 5 -2.537 1.513 1.751
41 HH21 ARG 5 1HH2 ARG 5 -0.447 0.223 4.241
42 HH22 ARG 5 2HH2 ARG 5 -0.585 0.632 2.563
43 H GLN 6 H GLN 6 -0.431 5.334 7.427
44 HA GLN 6 HA GLN 6 -1.549 6.237 9.809
45 HB3 GLN 6 2HB GLN 6 0.658 7.786 9.646
46 HG3 GLN 6 2HG GLN 6 1.454 5.003 9.930
47 HE21 GLN 6 1HE2 GLN 6 2.920 4.827 11.543
48 HE22 GLN 6 2HE2 GLN 6 3.412 6.141 12.551
49 H ARG 7 H ARG 7 -1.398 7.743 6.705
50 HA ARG 7 HA ARG 7 -1.844 10.419 7.648
51 HB3 ARG 7 2HB ARG 7 -2.500 10.670 5.105
52 HG3 ARG 7 2HG ARG 7 0.128 10.437 6.392
53 HD3 ARG 7 2HD ARG 7 0.450 10.926 3.555
54 HE ARG 7 HE ARG 7 1.915 8.798 4.832
55 HH11 ARG 7 1HH1 ARG 7 1.639 12.237 4.368
56 HH12 ARG 7 2HH1 ARG 7 3.300 12.553 4.747
57 HH21 ARG 7 1HH2 ARG 7 4.103 9.201 5.334
58 HH22 ARG 7 2HH2 ARG 7 4.701 10.825 5.295
59 H ARG 8 H ARG 8 -3.799 7.680 6.981
60 HA ARG 8 HA ARG 8 -6.232 9.282 6.750
61 HB3 ARG 8 2HB ARG 8 -7.163 6.779 6.640
62 HG3 ARG 8 2HG ARG 8 -6.200 8.633 4.625
63 HD3 ARG 8 2HD ARG 8 -6.544 5.776 3.761
64 HE ARG 8 HE ARG 8 -6.408 8.129 2.298
65 HH11 ARG 8 1HH1 ARG 8 -4.788 5.050 2.414
66 HH12 ARG 8 2HH1 ARG 8 -4.399 5.044 0.725
67 HH21 ARG 8 1HH2 ARG 8 -5.902 8.133 0.073
68 HH22 ARG 8 2HH2 ARG 8 -5.034 6.798 -0.605
69 H GLY 9 H GLY 9 -4.649 6.988 8.903
70 HA2 GLY 9 2HA GLY 9 -5.063 7.499 11.314
71 HA3 GLY 9 3HA GLY 9 -6.769 7.515 10.894
72 H GLU 10 H GLU 10 -4.924 5.172 9.245
73 HA GLU 10 HA GLU 10 -5.890 3.094 11.099
74 HB3 GLU 10 2HB GLU 10 -5.748 1.667 8.893
75 HG3 GLU 10 2HG GLU 10 -7.978 3.649 9.284
76 H GLU 11 H GLU 11 -3.233 4.354 9.282
77 HA GLU 11 HA GLU 11 -0.994 3.934 9.431
78 HB3 GLU 11 2HB GLU 11 -1.507 1.649 11.310
79 HG3 GLU 11 2HG GLU 11 0.779 3.235 10.552
80 H ARG 12 H ARG 12 -2.615 0.772 9.784
81 HA ARG 12 HA ARG 12 -1.217 -0.100 7.340
82 HB3 ARG 12 2HB ARG 12 -1.290 -2.403 8.315
83 HG3 ARG 12 2HG ARG 12 0.477 -2.118 9.982
84 HD3 ARG 12 2HD ARG 12 2.098 -1.025 8.585
85 HE ARG 12 HE ARG 12 0.486 -2.058 6.446
86 HH11 ARG 12 1HH1 ARG 12 2.367 -2.887 9.257
87 HH12 ARG 12 2HH1 ARG 12 2.702 -4.499 8.718
88 HH21 ARG 12 1HH2 ARG 12 0.920 -4.179 5.726
89 HH22 ARG 12 2HH2 ARG 12 1.879 -5.232 6.710
90 H LYS 13 H LYS 13 -2.325 -1.712 6.057
91 HA LYS 13 HA LYS 13 -4.984 -1.065 5.508
92 HB3 LYS 13 2HB LYS 13 -3.799 -3.740 4.817
93 HG3 LYS 13 2HG LYS 13 -5.696 -1.851 3.475
94 HD3 LYS 13 2HD LYS 13 -4.088 -4.072 2.222
95 HE3 LYS 13 2HE LYS 13 -6.382 -2.559 0.987
96 HZ1 LYS 13 3HZ LYS 13 -4.390 -3.846 -0.240
97 HZ2 LYS 13 1HZ LYS 13 -5.950 -3.701 -0.880
98 HZ3 LYS 13 2HZ LYS 13 -5.499 -5.111 -0.061
99 H ALA 14 H ALA 14 -6.705 -1.418 6.734
100 HA ALA 14 HA ALA 14 -7.119 -4.069 7.883
101 HB1 ALA 14 1HB ALA 14 -6.238 -1.934 9.462
102 HB2 ALA 14 2HB ALA 14 -7.959 -2.106 9.808
103 HB3 ALA 14 3HB ALA 14 -6.877 -3.483 10.011
104 HA PRO 15 HA PRO 15 -11.320 -3.492 6.758
105 HB3 PRO 15 2HB PRO 15 -11.743 -5.589 7.598
106 HG3 PRO 15 2HG PRO 15 -10.711 -6.333 9.543
107 HD3 PRO 15 2HD PRO 15 -8.870 -5.572 8.384
Start of MODEL 13
1 H1 MET 1 H MET 1 5.810 -0.861 4.407
2 HA MET 1 HA MET 1 2.992 -0.617 3.683
3 HB3 MET 1 2HB MET 1 2.430 -2.812 4.558
4 HG3 MET 1 2HG MET 1 4.687 -3.049 2.583
5 HE1 MET 1 3HE MET 1 4.385 -5.203 0.716
6 HE2 MET 1 1HE MET 1 5.585 -5.141 2.006
7 HE3 MET 1 2HE MET 1 4.683 -6.628 1.712
8 H TRP 2 H TRP 2 4.903 0.826 5.416
9 HA TRP 2 HA TRP 2 3.392 0.581 7.929
10 HB3 TRP 2 2HB TRP 2 5.606 -0.386 8.281
11 HD1 TRP 2 HD TRP 2 6.836 3.255 8.255
12 HE1 TRP 2 1HE TRP 2 8.983 3.377 6.841
13 HE3 TRP 2 3HE TRP 2 6.884 -1.523 6.437
14 HZ2 TRP 2 2HZ TRP 2 10.496 1.674 5.175
15 HZ3 TRP 2 3HZ TRP 2 8.715 -2.196 4.938
16 HH2 TRP 2 HH TRP 2 10.483 -0.629 4.321
17 H GLN 3 H GLN 3 2.719 2.461 8.840
18 HA GLN 3 HA GLN 3 2.150 4.658 8.989
19 HB3 GLN 3 2HB GLN 3 3.966 6.313 8.575
20 HG3 GLN 3 2HG GLN 3 5.040 3.927 10.054
21 HE21 GLN 3 1HE2 GLN 3 5.567 5.266 12.361
22 HE22 GLN 3 2HE2 GLN 3 6.792 6.454 12.090
23 H ARG 4 H ARG 4 1.715 3.143 6.458
24 HA ARG 4 HA ARG 4 1.855 5.212 4.417
25 HB3 ARG 4 2HB ARG 4 0.455 3.122 3.307
26 HG3 ARG 4 2HG ARG 4 3.409 2.858 3.356
27 HD3 ARG 4 2HD ARG 4 1.661 1.663 1.837
28 HE ARG 4 HE ARG 4 1.054 4.188 1.015
29 HH11 ARG 4 1HH1 ARG 4 2.396 1.367 -0.520
30 HH12 ARG 4 2HH1 ARG 4 1.743 1.744 -2.080
31 HH21 ARG 4 1HH2 ARG 4 0.188 4.697 -1.034
32 HH22 ARG 4 2HH2 ARG 4 0.489 3.639 -2.371
33 H ARG 5 H ARG 5 -0.545 3.487 6.335
34 HA ARG 5 HA ARG 5 -2.706 5.011 5.092
35 HB3 ARG 5 2HB ARG 5 -4.003 3.526 6.891
36 HG3 ARG 5 2HG ARG 5 -2.981 1.906 4.635
37 HD3 ARG 5 2HD ARG 5 -4.983 1.449 6.219
38 HE ARG 5 HE ARG 5 -5.969 3.792 5.350
39 HH11 ARG 5 1HH1 ARG 5 -6.959 0.496 4.827
40 HH12 ARG 5 2HH1 ARG 5 -8.637 0.889 4.658
41 HH21 ARG 5 1HH2 ARG 5 -8.176 4.323 5.129
42 HH22 ARG 5 2HH2 ARG 5 -9.329 3.067 4.828
43 H GLN 6 H GLN 6 -0.582 5.351 7.623
44 HA GLN 6 HA GLN 6 -2.113 6.276 9.750
45 HB3 GLN 6 2HB GLN 6 0.202 7.897 9.616
46 HG3 GLN 6 2HG GLN 6 0.236 5.242 10.964
47 HE21 GLN 6 1HE2 GLN 6 1.648 5.197 12.620
48 HE22 GLN 6 2HE2 GLN 6 2.640 6.530 13.094
49 H ARG 7 H ARG 7 -1.172 7.871 6.777
50 HA ARG 7 HA ARG 7 -1.898 10.502 7.555
51 HB3 ARG 7 2HB ARG 7 -2.099 10.720 4.935
52 HG3 ARG 7 2HG ARG 7 0.287 10.460 6.642
53 HD3 ARG 7 2HD ARG 7 0.997 11.016 3.873
54 HE ARG 7 HE ARG 7 2.213 9.694 6.127
55 HH11 ARG 7 1HH1 ARG 7 2.401 10.331 2.710
56 HH12 ARG 7 2HH1 ARG 7 4.108 10.048 2.618
57 HH21 ARG 7 1HH2 ARG 7 4.461 9.320 6.020
58 HH22 ARG 7 2HH2 ARG 7 5.278 9.472 4.501
59 H ARG 8 H ARG 8 -3.710 7.746 6.630
60 HA ARG 8 HA ARG 8 -6.063 9.330 5.925
61 HB3 ARG 8 2HB ARG 8 -6.945 6.796 5.772
62 HG3 ARG 8 2HG ARG 8 -5.834 8.659 3.882
63 HD3 ARG 8 2HD ARG 8 -5.822 5.899 2.794
64 HE ARG 8 HE ARG 8 -3.856 7.835 1.973
65 HH11 ARG 8 1HH1 ARG 8 -7.117 6.691 1.550
66 HH12 ARG 8 2HH1 ARG 8 -7.275 7.337 -0.049
67 HH21 ARG 8 1HH2 ARG 8 -4.052 8.691 -0.133
68 HH22 ARG 8 2HH2 ARG 8 -5.531 8.474 -1.006
69 H GLY 9 H GLY 9 -4.847 7.190 8.431
70 HA2 GLY 9 2HA GLY 9 -5.689 7.771 10.701
71 HA3 GLY 9 3HA GLY 9 -7.296 7.748 9.990
72 H GLU 10 H GLU 10 -5.188 5.362 8.780
73 HA GLU 10 HA GLU 10 -6.420 3.352 10.548
74 HB3 GLU 10 2HB GLU 10 -5.912 1.861 8.407
75 HG3 GLU 10 2HG GLU 10 -8.263 3.434 7.777
76 H GLU 11 H GLU 11 -3.554 4.754 9.488
77 HA GLU 11 HA GLU 11 -1.382 4.350 10.071
78 HB3 GLU 11 2HB GLU 11 -2.110 1.742 11.350
79 HG3 GLU 11 2HG GLU 11 -0.396 3.890 12.519
80 H ARG 12 H ARG 12 -2.883 1.165 9.476
81 HA ARG 12 HA ARG 12 -1.161 0.856 7.127
82 HB3 ARG 12 2HB ARG 12 -0.587 -1.438 7.773
83 HG3 ARG 12 2HG ARG 12 0.132 0.722 9.714
84 HD3 ARG 12 2HD ARG 12 0.199 -1.984 10.359
85 HE ARG 12 HE ARG 12 2.690 -1.301 9.088
86 HH11 ARG 12 1HH1 ARG 12 1.145 -3.231 11.540
87 HH12 ARG 12 2HH1 ARG 12 2.389 -4.435 11.562
88 HH21 ARG 12 1HH2 ARG 12 4.336 -2.881 9.107
89 HH22 ARG 12 2HH2 ARG 12 4.205 -4.235 10.179
90 H LYS 13 H LYS 13 -1.914 -0.721 5.602
91 HA LYS 13 HA LYS 13 -4.680 -0.663 5.174
92 HB3 LYS 13 2HB LYS 13 -2.697 -2.631 4.017
93 HG3 LYS 13 2HG LYS 13 -5.189 -2.988 3.587
94 HD3 LYS 13 2HD LYS 13 -5.564 -0.486 3.232
95 HE3 LYS 13 2HE LYS 13 -3.586 -0.431 1.561
96 HZ1 LYS 13 3HZ LYS 13 -5.476 -1.987 0.119
97 HZ2 LYS 13 1HZ LYS 13 -3.873 -1.616 -0.275
98 HZ3 LYS 13 2HZ LYS 13 -5.119 -0.562 -0.720
99 H ALA 14 H ALA 14 -6.204 -1.668 6.294
100 HA ALA 14 HA ALA 14 -5.869 -4.493 6.949
101 HB1 ALA 14 1HB ALA 14 -7.127 -3.247 9.190
102 HB2 ALA 14 2HB ALA 14 -5.654 -4.216 9.140
103 HB3 ALA 14 3HB ALA 14 -5.571 -2.472 8.891
104 HA PRO 15 HA PRO 15 -10.106 -4.846 5.867
105 HB3 PRO 15 2HB PRO 15 -9.918 -7.103 6.247
106 HG3 PRO 15 2HG PRO 15 -8.647 -7.920 8.015
107 HD3 PRO 15 2HD PRO 15 -7.126 -6.471 7.070
Start of MODEL 14
1 H1 MET 1 H MET 1 5.957 0.349 3.202
2 HA MET 1 HA MET 1 3.205 -0.204 2.310
3 HB3 MET 1 2HB MET 1 5.049 -2.096 3.773
4 HG3 MET 1 2HG MET 1 2.812 -2.970 2.031
5 HE1 MET 1 3HE MET 1 3.181 -6.429 2.507
6 HE2 MET 1 1HE MET 1 1.728 -5.758 3.248
7 HE3 MET 1 2HE MET 1 2.389 -5.028 1.784
8 H TRP 2 H TRP 2 5.246 0.600 4.990
9 HA TRP 2 HA TRP 2 3.013 0.290 6.868
10 HB3 TRP 2 2HB TRP 2 5.006 -0.746 7.676
11 HD1 TRP 2 HD TRP 2 6.233 2.935 7.338
12 HE1 TRP 2 1HE TRP 2 8.714 2.871 6.657
13 HE3 TRP 2 3HE TRP 2 6.875 -2.131 7.082
14 HZ2 TRP 2 2HZ TRP 2 10.683 0.931 6.086
15 HZ3 TRP 2 3HZ TRP 2 9.088 -3.008 6.461
16 HH2 TRP 2 HH TRP 2 10.952 -1.508 5.972
17 H GLN 3 H GLN 3 2.422 2.011 8.270
18 HA GLN 3 HA GLN 3 1.816 4.158 8.715
19 HB3 GLN 3 2HB GLN 3 3.728 5.881 8.186
20 HG3 GLN 3 2HG GLN 3 3.116 4.643 10.424
21 HE21 GLN 3 1HE2 GLN 3 3.232 2.417 10.538
22 HE22 GLN 3 2HE2 GLN 3 4.716 1.574 10.803
23 H ARG 4 H ARG 4 1.305 3.006 6.045
24 HA ARG 4 HA ARG 4 1.457 5.285 4.250
25 HB3 ARG 4 2HB ARG 4 -0.086 3.370 2.992
26 HG3 ARG 4 2HG ARG 4 2.888 3.147 2.884
27 HD3 ARG 4 2HD ARG 4 0.684 3.156 0.825
28 HE ARG 4 HE ARG 4 3.282 2.327 -0.036
29 HH11 ARG 4 1HH1 ARG 4 1.197 5.080 0.407
30 HH12 ARG 4 2HH1 ARG 4 1.988 6.037 -0.801
31 HH21 ARG 4 1HH2 ARG 4 4.331 3.578 -1.629
32 HH22 ARG 4 2HH2 ARG 4 3.769 5.182 -1.960
33 H ARG 5 H ARG 5 -0.876 3.627 6.243
34 HA ARG 5 HA ARG 5 -3.066 5.230 5.152
35 HB3 ARG 5 2HB ARG 5 -4.555 3.760 6.252
36 HG3 ARG 5 2HG ARG 5 -2.575 1.639 5.850
37 HD3 ARG 5 2HD ARG 5 -4.960 1.188 5.907
38 HE ARG 5 HE ARG 5 -6.212 2.881 4.979
39 HH11 ARG 5 1HH1 ARG 5 -3.873 1.738 2.667
40 HH12 ARG 5 2HH1 ARG 5 -4.566 2.611 1.339
41 HH21 ARG 5 1HH2 ARG 5 -7.133 4.034 3.240
42 HH22 ARG 5 2HH2 ARG 5 -6.419 3.918 1.667
43 H GLN 6 H GLN 6 -0.763 5.463 7.529
44 HA GLN 6 HA GLN 6 -2.111 6.407 9.770
45 HB3 GLN 6 2HB GLN 6 0.382 7.832 9.129
46 HG3 GLN 6 2HG GLN 6 -0.441 6.006 11.374
47 HE21 GLN 6 1HE2 GLN 6 1.086 5.350 12.718
48 HE22 GLN 6 2HE2 GLN 6 2.730 5.883 12.717
49 H ARG 7 H ARG 7 -1.555 7.909 6.701
50 HA ARG 7 HA ARG 7 -2.034 10.596 7.560
51 HB3 ARG 7 2HB ARG 7 -2.485 10.811 4.965
52 HG3 ARG 7 2HG ARG 7 0.013 10.581 6.477
53 HD3 ARG 7 2HD ARG 7 0.688 10.969 3.715
54 HE ARG 7 HE ARG 7 1.775 8.707 5.131
55 HH11 ARG 7 1HH1 ARG 7 1.879 12.159 4.692
56 HH12 ARG 7 2HH1 ARG 7 3.500 12.317 5.283
57 HH21 ARG 7 1HH2 ARG 7 3.909 8.902 5.911
58 HH22 ARG 7 2HH2 ARG 7 4.655 10.463 5.976
59 H ARG 8 H ARG 8 -4.014 7.907 6.734
60 HA ARG 8 HA ARG 8 -6.371 9.589 6.328
61 HB3 ARG 8 2HB ARG 8 -7.399 7.163 6.077
62 HG3 ARG 8 2HG ARG 8 -6.123 8.948 4.207
63 HD3 ARG 8 2HD ARG 8 -6.363 6.118 3.244
64 HE ARG 8 HE ARG 8 -5.990 8.416 1.849
65 HH11 ARG 8 1HH1 ARG 8 -4.041 5.590 2.425
66 HH12 ARG 8 2HH1 ARG 8 -3.214 5.689 0.905
67 HH21 ARG 8 1HH2 ARG 8 -4.909 8.559 -0.155
68 HH22 ARG 8 2HH2 ARG 8 -3.708 7.379 -0.561
69 H GLY 9 H GLY 9 -4.982 7.315 8.610
70 HA2 GLY 9 2HA GLY 9 -5.607 7.822 10.971
71 HA3 GLY 9 3HA GLY 9 -7.272 7.829 10.408
72 H GLU 10 H GLU 10 -5.242 5.490 8.960
73 HA GLU 10 HA GLU 10 -6.387 3.413 10.710
74 HB3 GLU 10 2HB GLU 10 -6.401 1.918 8.768
75 HG3 GLU 10 2HG GLU 10 -8.141 4.052 9.119
76 H GLU 11 H GLU 11 -3.557 4.726 9.257
77 HA GLU 11 HA GLU 11 -1.347 4.327 9.676
78 HB3 GLU 11 2HB GLU 11 -1.998 1.947 11.371
79 HG3 GLU 11 2HG GLU 11 0.116 4.047 11.332
80 H ARG 12 H ARG 12 -2.963 1.144 9.688
81 HA ARG 12 HA ARG 12 -1.377 0.429 7.316
82 HB3 ARG 12 2HB ARG 12 -1.000 -1.796 8.194
83 HG3 ARG 12 2HG ARG 12 0.294 -1.316 10.289
84 HD3 ARG 12 2HD ARG 12 1.845 0.342 9.144
85 HE ARG 12 HE ARG 12 1.443 -1.721 7.190
86 HH11 ARG 12 1HH1 ARG 12 2.550 -1.024 10.417
87 HH12 ARG 12 2HH1 ARG 12 3.591 -2.407 10.499
88 HH21 ARG 12 1HH2 ARG 12 2.809 -3.546 7.286
89 HH22 ARG 12 2HH2 ARG 12 3.738 -3.840 8.717
90 H LYS 13 H LYS 13 -2.313 -1.231 5.980
91 HA LYS 13 HA LYS 13 -5.043 -0.882 5.491
92 HB3 LYS 13 2HB LYS 13 -3.577 -1.616 3.729
93 HG3 LYS 13 2HG LYS 13 -3.287 -4.282 5.082
94 HD3 LYS 13 2HD LYS 13 -1.296 -4.280 3.431
95 HE3 LYS 13 2HE LYS 13 -3.584 -5.522 3.310
96 HZ1 LYS 13 3HZ LYS 13 -4.248 -4.569 0.810
97 HZ2 LYS 13 1HZ LYS 13 -4.125 -3.194 1.788
98 HZ3 LYS 13 2HZ LYS 13 -5.170 -4.449 2.224
99 H ALA 14 H ALA 14 -6.689 -1.517 6.706
100 HA ALA 14 HA ALA 14 -6.515 -4.137 8.047
101 HB1 ALA 14 1HB ALA 14 -6.949 -3.188 10.004
102 HB2 ALA 14 2HB ALA 14 -6.854 -1.604 9.230
103 HB3 ALA 14 3HB ALA 14 -8.406 -2.437 9.352
104 HA PRO 15 HA PRO 15 -10.256 -5.348 6.102
105 HB3 PRO 15 2HB PRO 15 -10.104 -7.332 7.251
106 HG3 PRO 15 2HG PRO 15 -9.361 -7.388 9.454
107 HD3 PRO 15 2HD PRO 15 -7.685 -6.123 8.502
Start of MODEL 15
1 H1 MET 1 H MET 1 4.811 -3.008 3.078
2 HA MET 1 HA MET 1 4.378 -0.637 3.479
3 HB3 MET 1 2HB MET 1 1.717 -0.840 3.399
4 HG3 MET 1 2HG MET 1 3.598 -1.692 1.216
5 HE1 MET 1 3HE MET 1 3.003 -3.151 -0.118
6 HE2 MET 1 1HE MET 1 1.397 -3.668 -0.630
7 HE3 MET 1 2HE MET 1 2.249 -2.415 -1.533
8 H TRP 2 H TRP 2 4.595 0.578 5.236
9 HA TRP 2 HA TRP 2 2.679 0.234 7.423
10 HB3 TRP 2 2HB TRP 2 4.565 -0.932 8.283
11 HD1 TRP 2 HD TRP 2 6.343 2.491 7.870
12 HE1 TRP 2 1HE TRP 2 8.710 2.047 6.962
13 HE3 TRP 2 3HE TRP 2 6.041 -2.575 7.256
14 HZ2 TRP 2 2HZ TRP 2 10.246 -0.159 6.099
15 HZ3 TRP 2 3HZ TRP 2 8.003 -3.776 6.384
16 HH2 TRP 2 HH TRP 2 10.061 -2.591 5.817
17 H GLN 3 H GLN 3 2.394 2.125 8.734
18 HA GLN 3 HA GLN 3 2.024 4.354 8.998
19 HB3 GLN 3 2HB GLN 3 4.012 5.844 8.392
20 HG3 GLN 3 2HG GLN 3 4.866 3.527 10.083
21 HE21 GLN 3 1HE2 GLN 3 4.408 7.051 10.106
22 HE22 GLN 3 2HE2 GLN 3 5.988 7.421 10.697
23 H ARG 4 H ARG 4 1.302 3.019 6.437
24 HA ARG 4 HA ARG 4 1.537 5.165 4.484
25 HB3 ARG 4 2HB ARG 4 -0.112 3.278 3.359
26 HG3 ARG 4 2HG ARG 4 2.789 2.703 3.231
27 HD3 ARG 4 2HD ARG 4 0.599 3.145 1.207
28 HE ARG 4 HE ARG 4 3.053 1.996 0.272
29 HH11 ARG 4 1HH1 ARG 4 1.335 4.974 0.817
30 HH12 ARG 4 2HH1 ARG 4 2.223 5.858 -0.379
31 HH21 ARG 4 1HH2 ARG 4 4.230 3.149 -1.306
32 HH22 ARG 4 2HH2 ARG 4 3.869 4.818 -1.587
33 H ARG 5 H ARG 5 -0.942 3.532 6.400
34 HA ARG 5 HA ARG 5 -2.994 5.335 5.376
35 HB3 ARG 5 2HB ARG 5 -4.205 3.800 7.308
36 HG3 ARG 5 2HG ARG 5 -4.015 3.702 4.390
37 HD3 ARG 5 2HD ARG 5 -5.131 1.554 4.182
38 HE ARG 5 HE ARG 5 -2.789 0.724 5.652
39 HH11 ARG 5 1HH1 ARG 5 -4.025 2.092 2.698
40 HH12 ARG 5 2HH1 ARG 5 -2.642 1.641 1.757
41 HH21 ARG 5 1HH2 ARG 5 -0.962 0.126 4.424
42 HH22 ARG 5 2HH2 ARG 5 -0.900 0.522 2.739
43 H GLN 6 H GLN 6 -0.721 5.357 7.784
44 HA GLN 6 HA GLN 6 -2.051 6.283 10.045
45 HB3 GLN 6 2HB GLN 6 0.308 5.664 10.070
46 HG3 GLN 6 2HG GLN 6 0.702 6.977 7.810
47 HE21 GLN 6 1HE2 GLN 6 2.787 8.593 7.633
48 HE22 GLN 6 2HE2 GLN 6 2.431 10.166 8.252
49 H ARG 7 H ARG 7 -1.431 7.844 7.033
50 HA ARG 7 HA ARG 7 -1.789 10.525 8.016
51 HB3 ARG 7 2HB ARG 7 -2.086 10.888 5.415
52 HG3 ARG 7 2HG ARG 7 0.350 10.397 7.004
53 HD3 ARG 7 2HD ARG 7 0.894 11.067 4.201
54 HE ARG 7 HE ARG 7 2.376 8.992 5.545
55 HH11 ARG 7 1HH1 ARG 7 1.965 12.421 5.105
56 HH12 ARG 7 2HH1 ARG 7 3.581 12.810 5.591
57 HH21 ARG 7 1HH2 ARG 7 4.507 9.491 6.188
58 HH22 ARG 7 2HH2 ARG 7 5.027 11.142 6.207
59 H ARG 8 H ARG 8 -3.827 7.960 6.994
60 HA ARG 8 HA ARG 8 -6.087 9.747 6.507
61 HB3 ARG 8 2HB ARG 8 -7.161 7.310 6.197
62 HG3 ARG 8 2HG ARG 8 -5.904 9.189 4.396
63 HD3 ARG 8 2HD ARG 8 -6.222 6.438 3.265
64 HE ARG 8 HE ARG 8 -5.291 8.948 2.239
65 HH11 ARG 8 1HH1 ARG 8 -5.067 5.488 1.928
66 HH12 ARG 8 2HH1 ARG 8 -4.583 5.538 0.264
67 HH21 ARG 8 1HH2 ARG 8 -4.656 9.027 0.049
68 HH22 ARG 8 2HH2 ARG 8 -4.349 7.551 -0.803
69 H GLY 9 H GLY 9 -4.967 7.289 8.766
70 HA2 GLY 9 2HA GLY 9 -5.670 7.776 11.119
71 HA3 GLY 9 3HA GLY 9 -7.299 7.905 10.474
72 H GLU 10 H GLU 10 -5.417 5.494 8.991
73 HA GLU 10 HA GLU 10 -6.735 3.436 10.641
74 HB3 GLU 10 2HB GLU 10 -6.593 2.011 8.551
75 HG3 GLU 10 2HG GLU 10 -8.365 4.350 8.877
76 H GLU 11 H GLU 11 -3.785 4.582 9.264
77 HA GLU 11 HA GLU 11 -1.617 4.018 9.710
78 HB3 GLU 11 2HB GLU 11 -2.459 1.670 11.364
79 HG3 GLU 11 2HG GLU 11 -0.521 3.701 12.291
80 H ARG 12 H ARG 12 -3.452 0.957 9.666
81 HA ARG 12 HA ARG 12 -1.911 0.165 7.290
82 HB3 ARG 12 2HB ARG 12 -1.780 -2.137 8.183
83 HG3 ARG 12 2HG ARG 12 -0.317 -1.545 10.275
84 HD3 ARG 12 2HD ARG 12 0.771 -0.301 7.823
85 HE ARG 12 HE ARG 12 2.528 -0.994 9.129
86 HH11 ARG 12 1HH1 ARG 12 0.234 -3.590 8.784
87 HH12 ARG 12 2HH1 ARG 12 1.274 -4.778 9.498
88 HH21 ARG 12 1HH2 ARG 12 3.907 -2.550 10.070
89 HH22 ARG 12 2HH2 ARG 12 3.362 -4.186 10.229
90 H LYS 13 H LYS 13 -2.948 -1.414 5.941
91 HA LYS 13 HA LYS 13 -5.696 -0.935 5.561
92 HB3 LYS 13 2HB LYS 13 -3.886 -1.746 3.884
93 HG3 LYS 13 2HG LYS 13 -4.038 -4.149 3.376
94 HD3 LYS 13 2HD LYS 13 -2.599 -4.947 5.217
95 HE3 LYS 13 2HE LYS 13 -2.002 -2.103 4.404
96 HZ1 LYS 13 3HZ LYS 13 -0.148 -4.312 5.109
97 HZ2 LYS 13 1HZ LYS 13 -0.532 -3.017 6.128
98 HZ3 LYS 13 2HZ LYS 13 0.283 -2.736 4.672
99 H ALA 14 H ALA 14 -7.500 -2.031 6.146
100 HA ALA 14 HA ALA 14 -7.250 -4.624 7.461
101 HB1 ALA 14 1HB ALA 14 -8.050 -2.107 8.806
102 HB2 ALA 14 2HB ALA 14 -8.952 -3.569 9.209
103 HB3 ALA 14 3HB ALA 14 -7.204 -3.518 9.446
104 HA PRO 15 HA PRO 15 -11.055 -5.548 5.480
105 HB3 PRO 15 2HB PRO 15 -10.885 -7.666 6.356
106 HG3 PRO 15 2HG PRO 15 -10.073 -8.012 8.508
107 HD3 PRO 15 2HD PRO 15 -8.417 -6.643 7.675
Start of MODEL 16
1 H1 MET 1 H MET 1 4.262 -0.067 1.966
2 HA MET 1 HA MET 1 1.773 -0.652 2.906
3 HB3 MET 1 2HB MET 1 4.349 -1.901 3.877
4 HG3 MET 1 2HG MET 1 1.625 -3.150 3.645
5 HE1 MET 1 3HE MET 1 4.559 -5.123 6.368
6 HE2 MET 1 1HE MET 1 5.412 -3.893 5.433
7 HE3 MET 1 2HE MET 1 3.992 -3.452 6.382
8 H TRP 2 H TRP 2 4.582 -0.074 5.031
9 HA TRP 2 HA TRP 2 2.801 0.357 7.286
10 HB3 TRP 2 2HB TRP 2 4.901 -0.963 7.525
11 HD1 TRP 2 HD TRP 2 6.506 2.426 8.265
12 HE1 TRP 2 1HE TRP 2 8.721 2.591 6.965
13 HE3 TRP 2 3HE TRP 2 6.101 -1.810 5.431
14 HZ2 TRP 2 2HZ TRP 2 10.113 1.119 4.999
15 HZ3 TRP 2 3HZ TRP 2 7.917 -2.360 3.865
16 HH2 TRP 2 HH TRP 2 9.881 -0.924 3.655
17 H GLN 3 H GLN 3 2.579 2.271 8.417
18 HA GLN 3 HA GLN 3 2.414 4.520 8.713
19 HB3 GLN 3 2HB GLN 3 4.537 5.780 7.663
20 HG3 GLN 3 2HG GLN 3 5.817 4.663 9.757
21 HE21 GLN 3 1HE2 GLN 3 6.103 6.135 11.398
22 HE22 GLN 3 2HE2 GLN 3 5.349 7.690 11.406
23 H ARG 4 H ARG 4 1.558 3.171 6.141
24 HA ARG 4 HA ARG 4 1.725 5.350 4.220
25 HB3 ARG 4 2HB ARG 4 0.037 3.503 3.108
26 HG3 ARG 4 2HG ARG 4 2.955 2.945 2.948
27 HD3 ARG 4 2HD ARG 4 1.001 1.936 1.535
28 HE ARG 4 HE ARG 4 0.761 4.587 0.708
29 HH11 ARG 4 1HH1 ARG 4 1.143 1.423 -0.695
30 HH12 ARG 4 2HH1 ARG 4 0.306 1.828 -2.158
31 HH21 ARG 4 1HH2 ARG 4 -0.343 5.131 -1.213
32 HH22 ARG 4 2HH2 ARG 4 -0.537 3.938 -2.452
33 H ARG 5 H ARG 5 -0.719 3.645 6.134
34 HA ARG 5 HA ARG 5 -2.784 5.497 5.244
35 HB3 ARG 5 2HB ARG 5 -3.949 3.919 7.164
36 HG3 ARG 5 2HG ARG 5 -3.840 3.904 4.246
37 HD3 ARG 5 2HD ARG 5 -4.926 1.743 3.995
38 HE ARG 5 HE ARG 5 -2.519 0.906 5.351
39 HH11 ARG 5 1HH1 ARG 5 -3.881 2.363 2.497
40 HH12 ARG 5 2HH1 ARG 5 -2.522 1.977 1.494
41 HH21 ARG 5 1HH2 ARG 5 -0.724 0.394 4.040
42 HH22 ARG 5 2HH2 ARG 5 -0.728 0.857 2.372
43 H GLN 6 H GLN 6 -0.435 5.454 7.574
44 HA GLN 6 HA GLN 6 -1.686 6.316 9.904
45 HB3 GLN 6 2HB GLN 6 0.642 7.696 10.002
46 HG3 GLN 6 2HG GLN 6 1.152 4.833 10.229
47 HE21 GLN 6 1HE2 GLN 6 0.194 7.574 12.274
48 HE22 GLN 6 2HE2 GLN 6 1.640 7.592 13.220
49 H ARG 7 H ARG 7 -1.149 7.969 6.919
50 HA ARG 7 HA ARG 7 -1.494 10.616 7.993
51 HB3 ARG 7 2HB ARG 7 -1.855 11.060 5.415
52 HG3 ARG 7 2HG ARG 7 0.624 10.513 6.919
53 HD3 ARG 7 2HD ARG 7 1.051 11.276 4.109
54 HE ARG 7 HE ARG 7 2.657 9.237 5.360
55 HH11 ARG 7 1HH1 ARG 7 2.112 12.655 4.988
56 HH12 ARG 7 2HH1 ARG 7 3.732 13.092 5.414
57 HH21 ARG 7 1HH2 ARG 7 4.795 9.800 5.922
58 HH22 ARG 7 2HH2 ARG 7 5.258 11.468 5.945
59 H ARG 8 H ARG 8 -3.548 8.076 6.938
60 HA ARG 8 HA ARG 8 -5.827 9.868 6.567
61 HB3 ARG 8 2HB ARG 8 -6.883 7.417 6.218
62 HG3 ARG 8 2HG ARG 8 -5.828 9.425 4.465
63 HD3 ARG 8 2HD ARG 8 -5.989 6.857 3.020
64 HE ARG 8 HE ARG 8 -3.875 8.688 2.416
65 HH11 ARG 8 1HH1 ARG 8 -7.285 8.087 2.055
66 HH12 ARG 8 2HH1 ARG 8 -7.432 9.038 0.614
67 HH21 ARG 8 1HH2 ARG 8 -4.056 9.943 0.520
68 HH22 ARG 8 2HH2 ARG 8 -5.596 10.091 -0.259
69 H GLY 9 H GLY 9 -4.642 7.340 8.713
70 HA2 GLY 9 2HA GLY 9 -5.282 7.735 11.098
71 HA3 GLY 9 3HA GLY 9 -6.929 7.897 10.502
72 H GLU 10 H GLU 10 -5.074 5.532 8.899
73 HA GLU 10 HA GLU 10 -6.372 3.422 10.495
74 HB3 GLU 10 2HB GLU 10 -6.149 2.092 8.284
75 HG3 GLU 10 2HG GLU 10 -8.108 4.339 8.628
76 H GLU 11 H GLU 11 -3.442 4.617 9.131
77 HA GLU 11 HA GLU 11 -1.269 4.032 9.517
78 HB3 GLU 11 2HB GLU 11 -2.154 1.639 11.101
79 HG3 GLU 11 2HG GLU 11 0.299 3.119 10.779
80 H ARG 12 H ARG 12 -3.101 0.969 9.381
81 HA ARG 12 HA ARG 12 -1.607 0.281 6.945
82 HB3 ARG 12 2HB ARG 12 -2.138 -2.131 8.304
83 HG3 ARG 12 2HG ARG 12 0.231 -0.635 7.430
84 HD3 ARG 12 2HD ARG 12 0.303 -1.758 9.991
85 HE ARG 12 HE ARG 12 0.730 -3.890 8.376
86 HH11 ARG 12 1HH1 ARG 12 2.780 -2.018 10.478
87 HH12 ARG 12 2HH1 ARG 12 3.829 -3.346 10.851
88 HH21 ARG 12 1HH2 ARG 12 2.105 -5.644 8.860
89 HH22 ARG 12 2HH2 ARG 12 3.445 -5.407 9.930
90 H LYS 13 H LYS 13 -2.664 -1.255 5.559
91 HA LYS 13 HA LYS 13 -5.393 -0.758 5.188
92 HB3 LYS 13 2HB LYS 13 -3.814 -1.510 3.416
93 HG3 LYS 13 2HG LYS 13 -3.181 -3.588 5.076
94 HD3 LYS 13 2HD LYS 13 -5.295 -4.444 3.174
95 HE3 LYS 13 2HE LYS 13 -3.252 -5.504 2.282
96 HZ1 LYS 13 3HZ LYS 13 -1.736 -5.880 3.901
97 HZ2 LYS 13 1HZ LYS 13 -2.495 -7.393 3.948
98 HZ3 LYS 13 2HZ LYS 13 -2.894 -6.210 5.091
99 H ALA 14 H ALA 14 -7.221 -1.764 5.827
100 HA ALA 14 HA ALA 14 -7.042 -4.345 7.190
101 HB1 ALA 14 1HB ALA 14 -7.083 -3.298 9.177
102 HB2 ALA 14 2HB ALA 14 -7.661 -1.783 8.482
103 HB3 ALA 14 3HB ALA 14 -8.799 -3.085 8.831
104 HA PRO 15 HA PRO 15 -10.848 -5.252 5.205
105 HB3 PRO 15 2HB PRO 15 -10.744 -7.337 6.167
106 HG3 PRO 15 2HG PRO 15 -9.971 -7.617 8.341
107 HD3 PRO 15 2HD PRO 15 -8.268 -6.324 7.479
Start of MODEL 17
1 H1 MET 1 H MET 1 4.430 -1.517 2.362
2 HA MET 1 HA MET 1 1.637 -0.789 2.949
3 HB3 MET 1 2HB MET 1 1.793 -3.090 2.107
4 HG3 MET 1 2HG MET 1 3.661 -3.502 4.423
5 HE1 MET 1 3HE MET 1 4.061 -7.324 4.378
6 HE2 MET 1 1HE MET 1 4.988 -5.845 4.127
7 HE3 MET 1 2HE MET 1 3.992 -6.026 5.570
8 H TRP 2 H TRP 2 3.941 0.540 3.970
9 HA TRP 2 HA TRP 2 3.641 -0.108 6.825
10 HB3 TRP 2 2HB TRP 2 6.196 0.618 5.378
11 HD1 TRP 2 HD TRP 2 4.578 0.678 8.831
12 HE1 TRP 2 1HE TRP 2 6.276 1.608 10.528
13 HE3 TRP 2 3HE TRP 2 8.723 0.810 5.842
14 HZ2 TRP 2 2HZ TRP 2 9.010 2.305 10.590
15 HZ3 TRP 2 3HZ TRP 2 10.839 1.622 6.797
16 HH2 TRP 2 HH TRP 2 10.979 2.354 9.122
17 H GLN 3 H GLN 3 2.684 1.535 7.811
18 HA GLN 3 HA GLN 3 2.027 3.635 8.386
19 HB3 GLN 3 2HB GLN 3 3.825 5.456 7.909
20 HG3 GLN 3 2HG GLN 3 4.043 3.153 9.764
21 HE21 GLN 3 1HE2 GLN 3 5.577 3.933 11.684
22 HE22 GLN 3 2HE2 GLN 3 7.214 4.178 11.192
23 H ARG 4 H ARG 4 1.238 2.629 5.817
24 HA ARG 4 HA ARG 4 1.334 4.921 4.027
25 HB3 ARG 4 2HB ARG 4 -0.388 3.062 2.905
26 HG3 ARG 4 2HG ARG 4 2.533 2.731 2.458
27 HD3 ARG 4 2HD ARG 4 1.612 3.028 0.062
28 HE ARG 4 HE ARG 4 1.977 0.763 1.466
29 HH11 ARG 4 1HH1 ARG 4 -0.495 1.769 -0.769
30 HH12 ARG 4 2HH1 ARG 4 -0.819 0.165 -1.336
31 HH21 ARG 4 1HH2 ARG 4 1.561 -1.354 0.727
32 HH22 ARG 4 2HH2 ARG 4 0.351 -1.612 -0.485
33 H ARG 5 H ARG 5 -0.857 3.341 6.224
34 HA ARG 5 HA ARG 5 -3.089 5.009 5.334
35 HB3 ARG 5 2HB ARG 5 -4.484 3.623 6.746
36 HG3 ARG 5 2HG ARG 5 -4.145 1.405 5.823
37 HD3 ARG 5 2HD ARG 5 -4.105 1.964 3.444
38 HE ARG 5 HE ARG 5 -5.748 3.493 5.250
39 HH11 ARG 5 1HH1 ARG 5 -5.027 2.769 1.921
40 HH12 ARG 5 2HH1 ARG 5 -6.591 3.241 1.345
41 HH21 ARG 5 1HH2 ARG 5 -7.810 4.117 4.502
42 HH22 ARG 5 2HH2 ARG 5 -8.173 4.008 2.814
43 H GLN 6 H GLN 6 -0.567 5.170 7.488
44 HA GLN 6 HA GLN 6 -1.669 6.163 9.839
45 HB3 GLN 6 2HB GLN 6 0.779 7.543 9.033
46 HG3 GLN 6 2HG GLN 6 0.448 5.433 11.140
47 HE21 GLN 6 1HE2 GLN 6 2.171 5.219 12.414
48 HE22 GLN 6 2HE2 GLN 6 3.593 6.195 12.336
49 H ARG 7 H ARG 7 -1.269 7.672 6.732
50 HA ARG 7 HA ARG 7 -1.625 10.360 7.631
51 HB3 ARG 7 2HB ARG 7 -2.246 10.618 5.081
52 HG3 ARG 7 2HG ARG 7 0.344 10.260 6.398
53 HD3 ARG 7 2HD ARG 7 0.861 10.637 3.611
54 HE ARG 7 HE ARG 7 1.869 8.272 4.912
55 HH11 ARG 7 1HH1 ARG 7 2.187 11.719 4.544
56 HH12 ARG 7 2HH1 ARG 7 3.845 11.750 5.040
57 HH21 ARG 7 1HH2 ARG 7 4.054 8.300 5.566
58 HH22 ARG 7 2HH2 ARG 7 4.907 9.805 5.621
59 H ARG 8 H ARG 8 -3.739 7.735 6.924
60 HA ARG 8 HA ARG 8 -6.068 9.489 6.705
61 HB3 ARG 8 2HB ARG 8 -7.150 7.050 6.547
62 HG3 ARG 8 2HG ARG 8 -6.134 8.909 4.597
63 HD3 ARG 8 2HD ARG 8 -6.480 6.157 3.494
64 HE ARG 8 HE ARG 8 -4.663 7.964 2.231
65 HH11 ARG 8 1HH1 ARG 8 -8.030 7.177 2.633
66 HH12 ARG 8 2HH1 ARG 8 -8.509 7.881 1.124
67 HH21 ARG 8 1HH2 ARG 8 -5.281 8.894 0.242
68 HH22 ARG 8 2HH2 ARG 8 -6.944 8.857 -0.235
69 H GLY 9 H GLY 9 -4.574 7.171 8.870
70 HA2 GLY 9 2HA GLY 9 -5.016 7.667 11.272
71 HA3 GLY 9 3HA GLY 9 -6.716 7.727 10.831
72 H GLU 10 H GLU 10 -4.821 5.345 9.251
73 HA GLU 10 HA GLU 10 -5.908 3.285 11.058
74 HB3 GLU 10 2HB GLU 10 -5.600 1.919 8.753
75 HG3 GLU 10 2HG GLU 10 -8.088 3.472 8.738
76 H GLU 11 H GLU 11 -3.138 4.666 9.729
77 HA GLU 11 HA GLU 11 -0.925 4.194 10.033
78 HB3 GLU 11 2HB GLU 11 -0.230 2.605 11.627
79 HG3 GLU 11 2HG GLU 11 -1.547 2.931 13.538
80 H ARG 12 H ARG 12 -2.548 1.042 9.606
81 HA ARG 12 HA ARG 12 -1.036 0.696 7.110
82 HB3 ARG 12 2HB ARG 12 -0.563 -1.605 7.639
83 HG3 ARG 12 2HG ARG 12 0.343 -1.020 10.209
84 HD3 ARG 12 2HD ARG 12 1.873 -0.328 7.728
85 HE ARG 12 HE ARG 12 2.738 -0.575 10.264
86 HH11 ARG 12 1HH1 ARG 12 3.234 -2.504 7.409
87 HH12 ARG 12 2HH1 ARG 12 4.808 -3.046 7.890
88 HH21 ARG 12 1HH2 ARG 12 4.808 -1.280 10.909
89 HH22 ARG 12 2HH2 ARG 12 5.702 -2.350 9.882
90 H LYS 13 H LYS 13 -2.005 -0.761 5.580
91 HA LYS 13 HA LYS 13 -4.763 -0.404 5.265
92 HB3 LYS 13 2HB LYS 13 -4.593 -1.824 3.352
93 HG3 LYS 13 2HG LYS 13 -1.775 -0.947 3.315
94 HD3 LYS 13 2HD LYS 13 -2.532 0.085 1.199
95 HE3 LYS 13 2HE LYS 13 -3.348 -2.800 1.551
96 HZ1 LYS 13 3HZ LYS 13 -3.086 -1.093 -0.797
97 HZ2 LYS 13 1HZ LYS 13 -4.074 -2.443 -0.544
98 HZ3 LYS 13 2HZ LYS 13 -2.437 -2.650 -0.917
99 H ALA 14 H ALA 14 -6.347 -1.274 6.412
100 HA ALA 14 HA ALA 14 -6.284 -4.132 7.006
101 HB1 ALA 14 1HB ALA 14 -7.323 -2.754 9.303
102 HB2 ALA 14 2HB ALA 14 -6.025 -3.944 9.203
103 HB3 ALA 14 3HB ALA 14 -5.672 -2.232 8.968
104 HA PRO 15 HA PRO 15 -10.567 -4.025 6.063
105 HB3 PRO 15 2HB PRO 15 -10.600 -6.298 6.395
106 HG3 PRO 15 2HG PRO 15 -9.363 -7.280 8.103
107 HD3 PRO 15 2HD PRO 15 -7.732 -5.972 7.132
Start of MODEL 18
1 H1 MET 1 H MET 1 3.656 -2.513 3.715
2 HA MET 1 HA MET 1 2.401 0.050 3.043
3 HB3 MET 1 2HB MET 1 0.295 -0.857 4.198
4 HG3 MET 1 2HG MET 1 0.698 -0.573 1.652
5 HE1 MET 1 3HE MET 1 1.731 -2.725 -1.017
6 HE2 MET 1 1HE MET 1 1.325 -1.147 -0.341
7 HE3 MET 1 2HE MET 1 2.828 -1.944 0.122
8 H TRP 2 H TRP 2 4.129 0.783 4.480
9 HA TRP 2 HA TRP 2 3.426 0.394 7.316
10 HB3 TRP 2 2HB TRP 2 5.874 1.028 7.733
11 HD1 TRP 2 HD TRP 2 5.214 -1.879 5.233
12 HE1 TRP 2 1HE TRP 2 5.703 -4.090 6.457
13 HE3 TRP 2 3HE TRP 2 6.382 -0.012 9.848
14 HZ2 TRP 2 2HZ TRP 2 6.481 -4.932 9.037
15 HZ3 TRP 2 3HZ TRP 2 6.987 -1.589 11.638
16 HH2 TRP 2 HH TRP 2 7.033 -3.997 11.240
17 H GLN 3 H GLN 3 2.599 2.148 8.223
18 HA GLN 3 HA GLN 3 2.066 4.315 8.663
19 HB3 GLN 3 2HB GLN 3 4.053 5.961 8.127
20 HG3 GLN 3 2HG GLN 3 3.734 3.975 10.260
21 HE21 GLN 3 1HE2 GLN 3 5.249 3.993 12.077
22 HE22 GLN 3 2HE2 GLN 3 6.944 3.985 11.742
23 H ARG 4 H ARG 4 1.579 3.172 5.960
24 HA ARG 4 HA ARG 4 1.774 5.489 4.211
25 HB3 ARG 4 2HB ARG 4 0.288 3.569 2.878
26 HG3 ARG 4 2HG ARG 4 3.258 3.388 2.790
27 HD3 ARG 4 2HD ARG 4 1.167 3.651 0.635
28 HE ARG 4 HE ARG 4 3.685 2.450 -0.013
29 HH11 ARG 4 1HH1 ARG 4 1.971 5.465 0.279
30 HH12 ARG 4 2HH1 ARG 4 2.991 6.304 -0.843
31 HH21 ARG 4 1HH2 ARG 4 5.036 3.542 -1.492
32 HH22 ARG 4 2HH2 ARG 4 4.734 5.208 -1.851
33 H ARG 5 H ARG 5 -0.567 3.810 6.155
34 HA ARG 5 HA ARG 5 -2.762 5.374 5.011
35 HB3 ARG 5 2HB ARG 5 -4.252 3.882 6.097
36 HG3 ARG 5 2HG ARG 5 -2.108 1.899 5.566
37 HD3 ARG 5 2HD ARG 5 -4.392 1.159 5.984
38 HE ARG 5 HE ARG 5 -5.976 2.619 5.183
39 HH11 ARG 5 1HH1 ARG 5 -3.796 1.733 2.617
40 HH12 ARG 5 2HH1 ARG 5 -4.756 2.461 1.373
41 HH21 ARG 5 1HH2 ARG 5 -7.249 3.582 3.554
42 HH22 ARG 5 2HH2 ARG 5 -6.720 3.514 1.907
43 H GLN 6 H GLN 6 -0.519 5.611 7.453
44 HA GLN 6 HA GLN 6 -1.929 6.527 9.663
45 HB3 GLN 6 2HB GLN 6 0.557 7.991 9.092
46 HG3 GLN 6 2HG GLN 6 -0.459 6.257 11.311
47 HE21 GLN 6 1HE2 GLN 6 2.011 8.642 11.629
48 HE22 GLN 6 2HE2 GLN 6 3.291 7.569 12.066
49 H ARG 7 H ARG 7 -1.187 8.118 6.650
50 HA ARG 7 HA ARG 7 -1.784 10.765 7.519
51 HB3 ARG 7 2HB ARG 7 -2.110 11.033 4.918
52 HG3 ARG 7 2HG ARG 7 0.327 10.747 6.521
53 HD3 ARG 7 2HD ARG 7 1.086 11.225 3.789
54 HE ARG 7 HE ARG 7 2.163 8.946 5.185
55 HH11 ARG 7 1HH1 ARG 7 2.232 12.407 4.827
56 HH12 ARG 7 2HH1 ARG 7 3.832 12.572 5.469
57 HH21 ARG 7 1HH2 ARG 7 4.271 9.150 6.031
58 HH22 ARG 7 2HH2 ARG 7 4.993 10.719 6.153
59 H ARG 8 H ARG 8 -3.683 8.065 6.533
60 HA ARG 8 HA ARG 8 -6.045 9.722 6.064
61 HB3 ARG 8 2HB ARG 8 -6.989 7.242 5.744
62 HG3 ARG 8 2HG ARG 8 -5.900 9.205 3.966
63 HD3 ARG 8 2HD ARG 8 -5.880 6.563 2.639
64 HE ARG 8 HE ARG 8 -3.828 8.456 2.027
65 HH11 ARG 8 1HH1 ARG 8 -7.198 7.706 1.573
66 HH12 ARG 8 2HH1 ARG 8 -7.326 8.584 0.084
67 HH21 ARG 8 1HH2 ARG 8 -3.985 9.615 0.068
68 HH22 ARG 8 2HH2 ARG 8 -5.499 9.668 -0.771
69 H GLY 9 H GLY 9 -4.714 7.431 8.358
70 HA2 GLY 9 2HA GLY 9 -5.459 7.857 10.696
71 HA3 GLY 9 3HA GLY 9 -7.096 7.857 10.058
72 H GLU 10 H GLU 10 -4.951 5.585 8.658
73 HA GLU 10 HA GLU 10 -6.160 3.446 10.287
74 HB3 GLU 10 2HB GLU 10 -5.507 2.134 8.032
75 HG3 GLU 10 2HG GLU 10 -8.026 3.722 7.918
76 H GLU 11 H GLU 11 -3.282 4.900 9.171
77 HA GLU 11 HA GLU 11 -1.102 4.519 9.735
78 HB3 GLU 11 2HB GLU 11 -1.585 1.948 11.110
79 HG3 GLU 11 2HG GLU 11 0.360 3.916 11.203
80 H ARG 12 H ARG 12 -2.609 1.310 9.313
81 HA ARG 12 HA ARG 12 -1.007 0.908 6.905
82 HB3 ARG 12 2HB ARG 12 -0.138 -1.216 7.623
83 HG3 ARG 12 2HG ARG 12 0.281 0.810 9.809
84 HD3 ARG 12 2HD ARG 12 0.996 -1.323 10.617
85 HE ARG 12 HE ARG 12 1.845 -1.850 7.924
86 HH11 ARG 12 1HH1 ARG 12 2.279 -2.690 11.274
87 HH12 ARG 12 2HH1 ARG 12 2.885 -4.277 10.933
88 HH21 ARG 12 1HH2 ARG 12 2.640 -3.937 7.462
89 HH22 ARG 12 2HH2 ARG 12 3.091 -4.985 8.764
90 H LYS 13 H LYS 13 -1.770 -0.827 5.562
91 HA LYS 13 HA LYS 13 -4.556 -0.953 5.341
92 HB3 LYS 13 2HB LYS 13 -2.514 -2.868 4.194
93 HG3 LYS 13 2HG LYS 13 -4.331 -2.712 2.278
94 HD3 LYS 13 2HD LYS 13 -4.992 -4.525 4.564
95 HE3 LYS 13 2HE LYS 13 -4.739 -4.851 1.577
96 HZ1 LYS 13 3HZ LYS 13 -4.060 -6.843 2.944
97 HZ2 LYS 13 1HZ LYS 13 -5.314 -7.094 1.836
98 HZ3 LYS 13 2HZ LYS 13 -5.663 -6.920 3.481
99 H ALA 14 H ALA 14 -5.935 -1.936 6.652
100 HA ALA 14 HA ALA 14 -5.330 -4.653 7.569
101 HB1 ALA 14 1HB ALA 14 -6.718 -3.304 9.662
102 HB2 ALA 14 2HB ALA 14 -5.138 -4.087 9.704
103 HB3 ALA 14 3HB ALA 14 -5.268 -2.387 9.253
104 HA PRO 15 HA PRO 15 -9.505 -5.582 6.589
105 HB3 PRO 15 2HB PRO 15 -9.084 -7.740 7.253
106 HG3 PRO 15 2HG PRO 15 -7.741 -8.188 9.098
107 HD3 PRO 15 2HD PRO 15 -6.376 -6.721 7.960
Start of MODEL 19
1 H1 MET 1 H MET 1 3.579 -0.166 1.228
2 HA MET 1 HA MET 1 1.863 -0.277 2.715
3 HB3 MET 1 2HB MET 1 1.562 -2.541 2.098
4 HG3 MET 1 2HG MET 1 3.984 -3.141 3.762
5 HE1 MET 1 3HE MET 1 4.831 -5.411 4.275
6 HE2 MET 1 1HE MET 1 3.661 -5.045 5.543
7 HE3 MET 1 2HE MET 1 3.705 -6.654 4.823
8 H TRP 2 H TRP 2 3.507 1.317 3.771
9 HA TRP 2 HA TRP 2 3.562 0.649 6.590
10 HB3 TRP 2 2HB TRP 2 6.126 1.750 5.536
11 HD1 TRP 2 HD TRP 2 4.640 1.836 8.485
12 HE1 TRP 2 1HE TRP 2 5.975 0.939 10.496
13 HE3 TRP 2 3HE TRP 2 8.047 -1.038 5.981
14 HZ2 TRP 2 2HZ TRP 2 8.180 -0.760 10.959
15 HZ3 TRP 2 3HZ TRP 2 9.737 -2.266 7.282
16 HH2 TRP 2 HH TRP 2 9.801 -2.129 9.719
17 H GLN 3 H GLN 3 2.738 2.338 7.615
18 HA GLN 3 HA GLN 3 2.139 4.462 8.164
19 HB3 GLN 3 2HB GLN 3 3.756 6.233 7.815
20 HG3 GLN 3 2HG GLN 3 5.449 3.793 8.176
21 HE21 GLN 3 1HE2 GLN 3 7.390 4.718 8.098
22 HE22 GLN 3 2HE2 GLN 3 7.878 6.093 9.022
23 H ARG 4 H ARG 4 1.313 3.221 5.572
24 HA ARG 4 HA ARG 4 0.952 5.526 3.832
25 HB3 ARG 4 2HB ARG 4 -0.462 3.601 2.606
26 HG3 ARG 4 2HG ARG 4 2.461 3.175 2.424
27 HD3 ARG 4 2HD ARG 4 0.591 3.999 0.241
28 HE ARG 4 HE ARG 4 3.196 3.222 0.170
29 HH11 ARG 4 1HH1 ARG 4 0.227 1.918 -1.099
30 HH12 ARG 4 2HH1 ARG 4 0.984 1.182 -2.472
31 HH21 ARG 4 1HH2 ARG 4 4.205 2.255 -1.634
32 HH22 ARG 4 2HH2 ARG 4 3.248 1.373 -2.775
33 H ARG 5 H ARG 5 -0.761 3.765 6.244
34 HA ARG 5 HA ARG 5 -3.257 5.157 5.531
35 HB3 ARG 5 2HB ARG 5 -4.177 3.374 7.247
36 HG3 ARG 5 2HG ARG 5 -4.755 3.473 4.832
37 HD3 ARG 5 2HD ARG 5 -2.538 3.199 3.876
38 HE ARG 5 HE ARG 5 -2.187 1.078 5.610
39 HH11 ARG 5 1HH1 ARG 5 -1.794 1.686 2.204
40 HH12 ARG 5 2HH1 ARG 5 -0.501 0.548 2.018
41 HH21 ARG 5 1HH2 ARG 5 -0.486 -0.424 5.377
42 HH22 ARG 5 2HH2 ARG 5 0.241 -0.652 3.822
43 H GLN 6 H GLN 6 -0.684 5.221 7.643
44 HA GLN 6 HA GLN 6 -1.823 5.771 10.126
45 HB3 GLN 6 2HB GLN 6 0.575 5.398 9.813
46 HG3 GLN 6 2HG GLN 6 0.552 7.030 7.715
47 HE21 GLN 6 1HE2 GLN 6 2.609 8.791 7.654
48 HE22 GLN 6 2HE2 GLN 6 2.183 10.241 8.492
49 H ARG 7 H ARG 7 -1.314 7.843 7.332
50 HA ARG 7 HA ARG 7 -1.885 10.304 8.587
51 HB3 ARG 7 2HB ARG 7 -2.560 10.912 6.122
52 HG3 ARG 7 2HG ARG 7 0.121 10.313 7.222
53 HD3 ARG 7 2HD ARG 7 0.027 11.376 4.458
54 HE ARG 7 HE ARG 7 2.037 9.479 5.271
55 HH11 ARG 7 1HH1 ARG 7 1.061 12.821 5.261
56 HH12 ARG 7 2HH1 ARG 7 2.671 13.428 5.453
57 HH21 ARG 7 1HH2 ARG 7 4.164 10.267 5.524
58 HH22 ARG 7 2HH2 ARG 7 4.436 11.974 5.602
59 H ARG 8 H ARG 8 -3.885 7.689 7.650
60 HA ARG 8 HA ARG 8 -6.302 9.333 7.631
61 HB3 ARG 8 2HB ARG 8 -7.304 6.916 7.242
62 HG3 ARG 8 2HG ARG 8 -6.182 8.876 5.424
63 HD3 ARG 8 2HD ARG 8 -6.582 6.105 4.326
64 HE ARG 8 HE ARG 8 -6.104 8.638 3.096
65 HH11 ARG 8 1HH1 ARG 8 -5.504 5.220 2.831
66 HH12 ARG 8 2HH1 ARG 8 -5.299 5.257 1.110
67 HH21 ARG 8 1HH2 ARG 8 -5.838 8.700 0.831
68 HH22 ARG 8 2HH2 ARG 8 -5.489 7.237 -0.025
69 H GLY 9 H GLY 9 -4.679 6.861 9.529
70 HA2 GLY 9 2HA GLY 9 -5.070 7.125 11.981
71 HA3 GLY 9 3HA GLY 9 -6.783 7.164 11.584
72 H GLU 10 H GLU 10 -4.950 5.010 9.687
73 HA GLU 10 HA GLU 10 -5.851 2.753 11.355
74 HB3 GLU 10 2HB GLU 10 -5.767 1.556 9.005
75 HG3 GLU 10 2HG GLU 10 -8.062 3.437 9.402
76 H GLU 11 H GLU 11 -3.247 4.258 9.702
77 HA GLU 11 HA GLU 11 -1.002 3.840 9.760
78 HB3 GLU 11 2HB GLU 11 -1.389 1.259 11.216
79 HG3 GLU 11 2HG GLU 11 0.586 3.515 11.416
80 H ARG 12 H ARG 12 -2.579 0.640 9.631
81 HA ARG 12 HA ARG 12 -1.237 0.198 7.044
82 HB3 ARG 12 2HB ARG 12 -1.546 -2.319 7.860
83 HG3 ARG 12 2HG ARG 12 0.617 -0.866 7.447
84 HD3 ARG 12 2HD ARG 12 0.319 -1.012 10.410
85 HE ARG 12 HE ARG 12 2.776 -1.664 9.057
86 HH11 ARG 12 1HH1 ARG 12 1.341 -0.264 11.902
87 HH12 ARG 12 2HH1 ARG 12 2.733 -0.537 12.897
88 HH21 ARG 12 1HH2 ARG 12 4.615 -2.028 10.356
89 HH22 ARG 12 2HH2 ARG 12 4.595 -1.540 12.017
90 H LYS 13 H LYS 13 -2.352 -1.175 5.540
91 HA LYS 13 HA LYS 13 -5.080 -0.585 5.274
92 HB3 LYS 13 2HB LYS 13 -3.820 -2.960 3.939
93 HG3 LYS 13 2HG LYS 13 -5.771 -0.847 3.069
94 HD3 LYS 13 2HD LYS 13 -4.707 -3.052 1.326
95 HE3 LYS 13 2HE LYS 13 -5.502 -1.270 -0.396
96 HZ1 LYS 13 3HZ LYS 13 -7.092 -2.759 -0.699
97 HZ2 LYS 13 1HZ LYS 13 -7.934 -2.212 0.663
98 HZ3 LYS 13 2HZ LYS 13 -6.768 -3.428 0.820
99 H ALA 14 H ALA 14 -6.783 -1.400 6.283
100 HA ALA 14 HA ALA 14 -6.776 -4.225 7.064
101 HB1 ALA 14 1HB ALA 14 -6.524 -2.075 8.892
102 HB2 ALA 14 2HB ALA 14 -8.130 -2.776 9.100
103 HB3 ALA 14 3HB ALA 14 -6.698 -3.797 9.238
104 HA PRO 15 HA PRO 15 -10.910 -4.322 5.599
105 HB3 PRO 15 2HB PRO 15 -10.946 -6.556 6.132
106 HG3 PRO 15 2HG PRO 15 -9.915 -7.346 8.061
107 HD3 PRO 15 2HD PRO 15 -8.198 -6.086 7.180
Start of MODEL 20
1 H1 MET 1 H MET 1 5.870 0.842 2.456
2 HA MET 1 HA MET 1 3.196 -0.278 2.161
3 HB3 MET 1 2HB MET 1 4.301 -2.193 3.505
4 HG3 MET 1 2HG MET 1 5.359 -1.494 0.777
5 HE1 MET 1 3HE MET 1 7.577 -4.214 -0.075
6 HE2 MET 1 1HE MET 1 6.001 -4.039 -0.849
7 HE3 MET 1 2HE MET 1 6.899 -2.607 -0.342
8 H TRP 2 H TRP 2 5.458 0.394 4.838
9 HA TRP 2 HA TRP 2 3.302 0.223 6.766
10 HB3 TRP 2 2HB TRP 2 5.054 0.613 8.440
11 HD1 TRP 2 HD TRP 2 3.752 -1.996 6.962
12 HE1 TRP 2 1HE TRP 2 5.095 -4.191 7.005
13 HE3 TRP 2 3HE TRP 2 8.400 -0.085 7.898
14 HZ2 TRP 2 2HZ TRP 2 7.771 -5.005 7.386
15 HZ3 TRP 2 3HZ TRP 2 10.298 -1.639 8.088
16 HH2 TRP 2 HH TRP 2 9.988 -4.048 7.838
17 H GLN 3 H GLN 3 2.604 1.916 8.103
18 HA GLN 3 HA GLN 3 1.905 4.033 8.555
19 HB3 GLN 3 2HB GLN 3 3.569 5.815 8.471
20 HG3 GLN 3 2HG GLN 3 5.126 3.365 9.200
21 HE21 GLN 3 1HE2 GLN 3 6.553 5.393 8.530
22 HE22 GLN 3 2HE2 GLN 3 7.064 6.349 9.876
23 H ARG 4 H ARG 4 1.223 2.899 6.012
24 HA ARG 4 HA ARG 4 1.371 5.099 4.115
25 HB3 ARG 4 2HB ARG 4 -0.246 3.253 2.934
26 HG3 ARG 4 2HG ARG 4 2.633 2.587 2.853
27 HD3 ARG 4 2HD ARG 4 0.404 3.038 0.897
28 HE ARG 4 HE ARG 4 2.924 3.778 0.234
29 HH11 ARG 4 1HH1 ARG 4 0.865 1.137 -0.713
30 HH12 ARG 4 2HH1 ARG 4 1.547 1.003 -2.300
31 HH21 ARG 4 1HH2 ARG 4 3.831 3.613 -1.852
32 HH22 ARG 4 2HH2 ARG 4 3.234 2.411 -2.947
33 H ARG 5 H ARG 5 -0.934 3.542 6.236
34 HA ARG 5 HA ARG 5 -3.091 5.248 5.232
35 HB3 ARG 5 2HB ARG 5 -4.327 3.786 7.094
36 HG3 ARG 5 2HG ARG 5 -3.622 2.284 4.620
37 HD3 ARG 5 2HD ARG 5 -5.477 1.886 6.542
38 HE ARG 5 HE ARG 5 -7.110 3.460 6.176
39 HH11 ARG 5 1HH1 ARG 5 -6.075 2.119 3.134
40 HH12 ARG 5 2HH1 ARG 5 -7.348 2.863 2.224
41 HH21 ARG 5 1HH2 ARG 5 -8.792 4.443 4.990
42 HH22 ARG 5 2HH2 ARG 5 -8.892 4.185 3.281
43 H GLN 6 H GLN 6 -0.716 5.319 7.545
44 HA GLN 6 HA GLN 6 -1.971 6.266 9.843
45 HB3 GLN 6 2HB GLN 6 0.493 7.669 9.471
46 HG3 GLN 6 2HG GLN 6 0.095 5.107 10.985
47 HE21 GLN 6 1HE2 GLN 6 2.094 4.488 11.423
48 HE22 GLN 6 2HE2 GLN 6 3.361 5.506 12.007
49 H ARG 7 H ARG 7 -1.372 7.820 6.805
50 HA ARG 7 HA ARG 7 -1.733 10.500 7.766
51 HB3 ARG 7 2HB ARG 7 -2.096 10.852 5.180
52 HG3 ARG 7 2HG ARG 7 0.376 10.335 6.696
53 HD3 ARG 7 2HD ARG 7 0.931 10.968 3.909
54 HE ARG 7 HE ARG 7 2.227 8.732 5.187
55 HH11 ARG 7 1HH1 ARG 7 2.113 12.196 4.855
56 HH12 ARG 7 2HH1 ARG 7 3.755 12.429 5.353
57 HH21 ARG 7 1HH2 ARG 7 4.390 9.027 5.846
58 HH22 ARG 7 2HH2 ARG 7 5.051 10.625 5.917
59 H ARG 8 H ARG 8 -3.806 7.924 6.895
60 HA ARG 8 HA ARG 8 -6.076 9.695 6.400
61 HB3 ARG 8 2HB ARG 8 -7.138 7.213 6.272
62 HG3 ARG 8 2HG ARG 8 -6.063 9.064 4.327
63 HD3 ARG 8 2HD ARG 8 -6.407 6.285 3.287
64 HE ARG 8 HE ARG 8 -5.911 8.674 2.036
65 HH11 ARG 8 1HH1 ARG 8 -4.306 5.593 2.268
66 HH12 ARG 8 2HH1 ARG 8 -3.580 5.706 0.698
67 HH21 ARG 8 1HH2 ARG 8 -4.962 8.834 -0.032
68 HH22 ARG 8 2HH2 ARG 8 -3.954 7.550 -0.609
69 H GLY 9 H GLY 9 -4.857 7.396 8.760
70 HA2 GLY 9 2HA GLY 9 -5.492 7.980 11.098
71 HA3 GLY 9 3HA GLY 9 -7.142 8.086 10.502
72 H GLU 10 H GLU 10 -5.303 5.593 9.092
73 HA GLU 10 HA GLU 10 -6.533 3.628 10.912
74 HB3 GLU 10 2HB GLU 10 -6.509 2.113 8.841
75 HG3 GLU 10 2HG GLU 10 -8.328 4.503 8.673
76 H GLU 11 H GLU 11 -3.672 4.875 9.719
77 HA GLU 11 HA GLU 11 -1.496 4.295 10.096
78 HB3 GLU 11 2HB GLU 11 -0.938 2.633 11.666
79 HG3 GLU 11 2HG GLU 11 -2.310 2.967 13.532
80 H ARG 12 H ARG 12 -3.237 1.235 9.502
81 HA ARG 12 HA ARG 12 -1.821 0.955 6.964
82 HB3 ARG 12 2HB ARG 12 -1.446 -1.525 7.640
83 HG3 ARG 12 2HG ARG 12 0.292 0.451 7.477
84 HD3 ARG 12 2HD ARG 12 -0.166 0.074 10.365
85 HE ARG 12 HE ARG 12 2.554 0.765 9.980
86 HH11 ARG 12 1HH1 ARG 12 0.409 -1.973 10.139
87 HH12 ARG 12 2HH1 ARG 12 1.637 -3.068 10.684
88 HH21 ARG 12 1HH2 ARG 12 4.178 -0.667 10.697
89 HH22 ARG 12 2HH2 ARG 12 3.779 -2.324 11.001
90 H LYS 13 H LYS 13 -2.780 -0.595 5.531
91 HA LYS 13 HA LYS 13 -5.580 -0.546 5.508
92 HB3 LYS 13 2HB LYS 13 -4.276 -0.801 3.467
93 HG3 LYS 13 2HG LYS 13 -3.761 -3.677 3.993
94 HD3 LYS 13 2HD LYS 13 -2.732 -1.510 2.222
95 HE3 LYS 13 2HE LYS 13 -0.755 -2.488 3.404
96 HZ1 LYS 13 3HZ LYS 13 -1.711 -4.972 2.094
97 HZ2 LYS 13 1HZ LYS 13 -1.459 -4.720 3.748
98 HZ3 LYS 13 2HZ LYS 13 -0.141 -4.765 2.688
99 H ALA 14 H ALA 14 -7.034 -1.708 6.572
100 HA ALA 14 HA ALA 14 -6.451 -4.478 7.286
101 HB1 ALA 14 1HB ALA 14 -6.642 -2.268 9.199
102 HB2 ALA 14 2HB ALA 14 -7.654 -3.659 9.585
103 HB3 ALA 14 3HB ALA 14 -5.916 -3.865 9.375
104 HA PRO 15 HA PRO 15 -10.674 -5.202 6.337
105 HB3 PRO 15 2HB PRO 15 -10.291 -7.427 6.768
106 HG3 PRO 15 2HG PRO 15 -8.909 -8.089 8.517
107 HD3 PRO 15 2HD PRO 15 -7.538 -6.547 7.491