Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
2984 | 1d0w RC | 5214 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HN AYA 24 H ALA 24 2.455 -1.284 2.269
2 HA AYA 24 HA ALA 24 3.668 -1.829 -0.344
3 1HB AYA 24 1HB ALA 24 4.341 0.207 1.838
4 2HB AYA 24 2HB ALA 24 3.317 0.497 0.440
5 3HB AYA 24 3HB ALA 24 5.032 0.225 0.239
6 1HM AYA 24 1HA ALA 24 0.884 -4.129 2.695
7 2HM AYA 24 2HA ALA 24 -0.131 -3.213 1.582
8 3HM AYA 24 3HA ALA 24 0.673 -2.390 2.915
9 H ARG 25 H ARG 25 3.920 -3.936 1.401
10 HA ARG 25 HA ARG 25 6.047 -4.417 3.001
11 1HB ARG 25 2HB ARG 25 4.475 -6.178 2.284
12 2HB ARG 25 1HB ARG 25 5.180 -6.220 0.676
13 1HG ARG 25 2HG ARG 25 7.346 -7.010 1.593
14 2HG ARG 25 1HG ARG 25 6.771 -6.804 3.230
15 1HD ARG 25 2HD ARG 25 5.636 -8.766 1.191
16 2HD ARG 25 1HD ARG 25 6.665 -9.224 2.517
17 HE ARG 25 HE ARG 25 3.862 -8.239 2.652
18 1HH1 ARG 25 1HH2 ARG 25 6.676 -9.274 4.364
19 2HH1 ARG 25 2HH2 ARG 25 5.857 -9.629 5.823
20 1HH2 ARG 25 2HH1 ARG 25 2.727 -8.641 4.526
21 2HH2 ARG 25 1HH1 ARG 25 3.528 -9.219 5.919
22 H HIS 26 H HIS 26 6.425 -4.742 -0.507
23 HA HIS 26 HA HIS 26 9.374 -4.389 -0.133
24 1HB HIS 26 2HB HIS 26 9.513 -5.542 -2.384
25 2HB HIS 26 1HB HIS 26 8.734 -6.546 -1.171
26 HD1 HIS 26 HD1 HIS 26 7.652 -4.046 -3.795
27 HD2 HIS 26 HD2 HIS 26 6.401 -7.551 -1.940
28 HE1 HIS 26 HE1 HIS 26 5.491 -4.820 -4.849
29 H TYR 27 H TYR 27 7.912 -2.186 0.060
30 HA TYR 27 HA TYR 27 8.674 -0.689 -2.403
31 1HB TYR 27 2HB TYR 27 5.986 -0.921 -1.142
32 2HB TYR 27 1HB TYR 27 6.439 0.718 -1.605
33 HD1 TYR 27 HD1 TYR 27 7.506 0.916 -4.003
34 HD2 TYR 27 HD2 TYR 27 5.012 -2.317 -2.777
35 HE1 TYR 27 HE1 TYR 27 7.003 0.414 -6.338
36 HE2 TYR 27 HE2 TYR 27 4.510 -2.800 -5.129
37 HH TYR 27 HH TYR 27 5.095 -0.727 -7.607
38 H LYS 28 H LYS 28 7.301 0.025 0.750
39 HA LYS 28 HA LYS 28 8.456 2.542 1.110
40 1HB LYS 28 2HB LYS 28 6.739 1.495 2.632
41 2HB LYS 28 1HB LYS 28 7.946 0.384 3.248
42 1HG LYS 28 2HG LYS 28 8.578 3.332 3.417
43 2HG LYS 28 1HG LYS 28 7.330 2.726 4.475
44 1HD LYS 28 2HD LYS 28 8.755 1.409 5.699
45 2HD LYS 28 1HD LYS 28 9.807 1.082 4.348
46 1HE LYS 28 2HE LYS 28 9.557 3.812 5.732
47 2HE LYS 28 1HE LYS 28 10.815 2.659 6.130
48 HZ LYS 28 HZ LYS 28 10.493 3.587 3.310
49 H ASN 29 H ASN 29 9.947 -0.458 2.229
50 HA ASN 29 HA ASN 29 12.410 1.018 2.824
51 1HB ASN 29 2HB ASN 29 11.665 -1.917 3.049
52 2HB ASN 29 1HB ASN 29 13.340 -1.456 3.174
53 1HD2 ASN 29 1HD2 ASN 29 11.593 1.163 4.612
54 2HD2 ASN 29 2HD2 ASN 29 11.672 0.538 6.171
55 H LEU 30 H LEU 30 11.491 0.736 -0.054
56 HA LEU 30 HA LEU 30 13.985 -0.479 -1.209
57 1HB LEU 30 2HB LEU 30 12.336 -1.334 -2.614
58 2HB LEU 30 1HB LEU 30 11.141 -0.184 -2.120
59 HG LEU 30 HG LEU 30 12.128 1.517 -3.648
60 1HD1 LEU 30 1HD1 LEU 30 13.806 0.789 -5.344
61 2HD1 LEU 30 2HD1 LEU 30 13.909 -0.794 -4.588
62 3HD1 LEU 30 3HD1 LEU 30 14.485 0.633 -3.742
63 1HD2 LEU 30 1HD2 LEU 30 11.402 -1.125 -4.943
64 2HD2 LEU 30 2HD2 LEU 30 11.381 0.442 -5.738
65 3HD2 LEU 30 3HD2 LEU 30 10.287 0.124 -4.404
66 H LEU 31 H LEU 31 11.874 2.385 -1.559
67 HA LEU 31 HA LEU 31 13.910 3.991 -2.819
68 1HB LEU 31 2HB LEU 31 12.486 5.939 -2.049
69 2HB LEU 31 1HB LEU 31 11.585 4.707 -2.892
70 HG LEU 31 HG LEU 31 11.335 3.811 -0.288
71 1HD1 LEU 31 1HD1 LEU 31 12.491 5.913 0.582
72 2HD1 LEU 31 2HD1 LEU 31 10.816 5.823 1.122
73 3HD1 LEU 31 3HD1 LEU 31 11.259 6.880 -0.202
74 1HD2 LEU 31 1HD2 LEU 31 9.054 4.746 -0.363
75 2HD2 LEU 31 2HD2 LEU 31 9.508 4.036 -1.898
76 3HD2 LEU 31 3HD2 LEU 31 9.511 5.785 -1.709
77 H GLU 32 H GLU 32 13.530 2.803 0.266
78 HA GLU 32 HA GLU 32 15.471 4.680 1.538
79 1HB GLU 32 2HB GLU 32 13.959 2.356 2.813
80 2HB GLU 32 1HB GLU 32 14.844 3.579 3.660
81 1HG GLU 32 2HG GLU 32 13.120 5.299 3.073
82 2HG GLU 32 1HG GLU 32 12.232 4.099 2.145
83 H ARG 33 H ARG 33 16.174 2.552 -0.536
84 HA ARG 33 HA ARG 33 17.788 0.702 1.175
85 1HB ARG 33 2HB ARG 33 17.985 -0.749 -0.797
86 2HB ARG 33 1HB ARG 33 16.333 -0.273 -0.594
87 1HG ARG 33 2HG ARG 33 16.301 0.229 -2.758
88 2HG ARG 33 1HG ARG 33 17.181 1.672 -2.394
89 1HD ARG 33 2HD ARG 33 18.345 0.582 -4.208
90 2HD ARG 33 1HD ARG 33 19.339 0.293 -2.798
91 HE ARG 33 HE ARG 33 17.293 -1.671 -3.804
92 1HH1 ARG 33 1HH2 ARG 33 20.523 -1.058 -2.740
93 2HH1 ARG 33 2HH2 ARG 33 20.981 -2.702 -2.717
94 1HH2 ARG 33 2HH1 ARG 33 17.838 -3.819 -3.858
95 2HH2 ARG 33 1HH1 ARG 33 19.406 -4.310 -3.392
96 H GLN 34 H GLN 34 18.248 2.941 -1.510
97 HA GLN 34 HA GLN 34 20.940 2.739 -2.060
98 1HB GLN 34 2HB GLN 34 19.466 5.401 -1.692
99 2HB GLN 34 1HB GLN 34 20.932 5.153 -2.613
100 1HG GLN 34 2HG GLN 34 18.191 3.972 -3.325
101 2HG GLN 34 1HG GLN 34 19.008 5.289 -4.136
102 1HE2 GLN 34 1HE2 GLN 34 20.294 4.684 -5.932
103 2HE2 GLN 34 2HE2 GLN 34 20.795 3.085 -6.213
104 H ARG 35 H ARG 35 19.609 4.458 0.712
105 HA ARG 35 HA ARG 35 22.356 4.710 1.798
106 1HB ARG 35 2HB ARG 35 19.908 6.407 2.495
107 2HB ARG 35 1HB ARG 35 21.543 6.668 3.057
108 1HG ARG 35 2HG ARG 35 22.290 7.013 0.659
109 2HG ARG 35 1HG ARG 35 20.637 6.802 0.140
110 1HD ARG 35 2HD ARG 35 21.197 9.236 0.312
111 2HD ARG 35 1HD ARG 35 19.913 8.752 1.422
112 HE ARG 35 HE ARG 35 22.731 8.755 2.375
113 1HH1 ARG 35 1HH2 ARG 35 19.587 10.241 2.498
114 2HH1 ARG 35 2HH2 ARG 35 19.896 11.086 3.947
115 1HH2 ARG 35 2HH1 ARG 35 23.170 9.844 4.244
116 2HH2 ARG 35 1HH1 ARG 35 22.026 10.908 4.946
117 H TYR 36 H TYR 36 21.241 2.298 2.139
118 HA TYR 36 HA TYR 36 19.851 2.229 4.766
119 1HB TYR 36 2HB TYR 36 19.494 0.643 2.645
120 2HB TYR 36 1HB TYR 36 20.876 -0.216 3.285
121 HD1 TYR 36 HD1 TYR 36 17.482 1.043 4.197
122 HD2 TYR 36 HD2 TYR 36 20.558 -1.751 5.113
123 HE1 TYR 36 HE1 TYR 36 15.983 -0.078 5.746
124 HE2 TYR 36 HE2 TYR 36 19.039 -2.887 6.680
125 HH TYR 36 HH TYR 36 15.664 -2.168 6.817
126 1HT TYR 36 1HT TYR 36 22.065 3.429 5.353
127 2HT TYR 36 2HT TYR 36 23.268 2.408 6.021
Start of MODEL 2
1 HN AYA 24 H ALA 24 1.297 -3.191 0.360
2 HA AYA 24 HA ALA 24 3.884 -2.396 -0.775
3 1HB AYA 24 1HB ALA 24 2.166 -1.041 1.369
4 2HB AYA 24 2HB ALA 24 2.068 -0.697 -0.353
5 3HB AYA 24 3HB ALA 24 3.530 -0.306 0.545
6 1HM AYA 24 1HA ALA 24 0.310 -5.030 -0.269
7 2HM AYA 24 2HA ALA 24 1.407 -6.413 -0.286
8 3HM AYA 24 3HA ALA 24 0.951 -5.627 -1.798
9 H ARG 25 H ARG 25 4.725 -4.467 0.211
10 HA ARG 25 HA ARG 25 5.509 -4.182 3.075
11 1HB ARG 25 2HB ARG 25 5.945 -6.474 1.084
12 2HB ARG 25 1HB ARG 25 6.455 -6.507 2.760
13 1HG ARG 25 2HG ARG 25 4.039 -6.141 3.451
14 2HG ARG 25 1HG ARG 25 3.571 -6.268 1.764
15 1HD ARG 25 2HD ARG 25 4.452 -8.553 1.636
16 2HD ARG 25 1HD ARG 25 5.068 -8.484 3.281
17 HE ARG 25 HE ARG 25 2.618 -8.061 3.947
18 1HH1 ARG 25 1HH2 ARG 25 3.520 -10.071 1.260
19 2HH1 ARG 25 2HH2 ARG 25 2.099 -11.007 1.309
20 1HH2 ARG 25 2HH1 ARG 25 0.777 -9.268 4.057
21 2HH2 ARG 25 1HH1 ARG 25 0.492 -10.561 2.973
22 H HIS 26 H HIS 26 7.101 -4.548 -0.092
23 HA HIS 26 HA HIS 26 9.598 -3.445 1.166
24 1HB HIS 26 2HB HIS 26 9.690 -5.866 0.386
25 2HB HIS 26 1HB HIS 26 9.403 -5.297 -1.256
26 HD1 HIS 26 HD1 HIS 26 11.194 -3.347 -1.951
27 HD2 HIS 26 HD2 HIS 26 12.275 -6.038 1.018
28 HE1 HIS 26 HE1 HIS 26 13.706 -3.348 -1.715
29 H TYR 27 H TYR 27 8.156 -1.500 0.620
30 HA TYR 27 HA TYR 27 8.838 -0.496 -2.139
31 1HB TYR 27 2HB TYR 27 6.292 -0.789 -1.391
32 2HB TYR 27 1HB TYR 27 6.566 0.644 -0.423
33 HD1 TYR 27 HD1 TYR 27 7.002 -0.634 -3.913
34 HD2 TYR 27 HD2 TYR 27 6.296 2.782 -1.456
35 HE1 TYR 27 HE1 TYR 27 6.635 0.730 -5.907
36 HE2 TYR 27 HE2 TYR 27 5.929 4.137 -3.475
37 HH TYR 27 HH TYR 27 5.233 3.001 -6.370
38 H LYS 28 H LYS 28 7.986 0.680 1.066
39 HA LYS 28 HA LYS 28 9.423 3.108 1.018
40 1HB LYS 28 2HB LYS 28 7.773 2.328 2.875
41 2HB LYS 28 1HB LYS 28 9.062 1.325 3.503
42 1HG LYS 28 2HG LYS 28 9.221 3.335 4.748
43 2HG LYS 28 1HG LYS 28 10.497 3.502 3.558
44 1HD LYS 28 2HD LYS 28 8.640 4.721 2.108
45 2HD LYS 28 1HD LYS 28 7.770 4.815 3.622
46 1HE LYS 28 2HE LYS 28 9.080 6.843 3.353
47 2HE LYS 28 1HE LYS 28 9.824 5.904 4.643
48 HZ LYS 28 HZ LYS 28 10.787 5.789 1.809
49 H ASN 29 H ASN 29 10.308 -0.065 2.146
50 HA ASN 29 HA ASN 29 13.028 0.599 2.747
51 1HB ASN 29 2HB ASN 29 11.773 -2.158 2.198
52 2HB ASN 29 1HB ASN 29 13.354 -1.919 2.912
53 1HD2 ASN 29 1HD2 ASN 29 11.473 0.552 4.233
54 2HD2 ASN 29 2HD2 ASN 29 10.973 -0.293 5.624
55 H LEU 30 H LEU 30 11.712 0.512 -0.085
56 HA LEU 30 HA LEU 30 14.114 -0.473 -1.534
57 1HB LEU 30 2HB LEU 30 12.332 -1.497 -2.601
58 2HB LEU 30 1HB LEU 30 11.164 -0.292 -2.168
59 HG LEU 30 HG LEU 30 12.156 1.234 -3.784
60 1HD1 LEU 30 1HD1 LEU 30 13.769 0.288 -5.520
61 2HD1 LEU 30 2HD1 LEU 30 13.834 -1.214 -4.619
62 3HD1 LEU 30 3HD1 LEU 30 14.492 0.263 -3.928
63 1HD2 LEU 30 1HD2 LEU 30 11.319 -1.460 -4.923
64 2HD2 LEU 30 2HD2 LEU 30 11.339 0.047 -5.832
65 3HD2 LEU 30 3HD2 LEU 30 10.256 -0.131 -4.455
66 H LEU 31 H LEU 31 11.696 2.142 -1.709
67 HA LEU 31 HA LEU 31 13.260 4.061 -3.070
68 1HB LEU 31 2HB LEU 31 11.136 4.471 -0.899
69 2HB LEU 31 1HB LEU 31 11.771 5.788 -1.869
70 HG LEU 31 HG LEU 31 10.354 3.327 -3.028
71 1HD1 LEU 31 1HD1 LEU 31 9.361 6.193 -2.643
72 2HD1 LEU 31 2HD1 LEU 31 8.804 4.796 -1.735
73 3HD1 LEU 31 3HD1 LEU 31 8.476 4.910 -3.454
74 1HD2 LEU 31 1HD2 LEU 31 11.186 5.974 -4.350
75 2HD2 LEU 31 2HD2 LEU 31 10.320 4.666 -5.126
76 3HD2 LEU 31 3HD2 LEU 31 11.974 4.432 -4.637
77 H GLU 32 H GLU 32 13.089 3.307 0.290
78 HA GLU 32 HA GLU 32 15.334 5.184 0.910
79 1HB GLU 32 2HB GLU 32 13.339 3.704 2.703
80 2HB GLU 32 1HB GLU 32 14.674 4.644 3.324
81 1HG GLU 32 2HG GLU 32 13.821 6.692 2.477
82 2HG GLU 32 1HG GLU 32 12.756 5.901 1.329
83 H ARG 33 H ARG 33 15.783 2.773 -0.584
84 HA ARG 33 HA ARG 33 17.234 1.039 1.377
85 1HB ARG 33 2HB ARG 33 17.078 -0.686 -0.157
86 2HB ARG 33 1HB ARG 33 15.658 0.231 -0.521
87 1HG ARG 33 2HG ARG 33 16.234 -0.066 -2.661
88 2HG ARG 33 1HG ARG 33 17.098 1.414 -2.392
89 1HD ARG 33 2HD ARG 33 18.604 -0.162 -3.457
90 2HD ARG 33 1HD ARG 33 19.178 -0.081 -1.794
91 HE ARG 33 HE ARG 33 17.581 -2.080 -1.406
92 1HH1 ARG 33 1HH2 ARG 33 19.293 -1.553 -4.370
93 2HH1 ARG 33 2HH2 ARG 33 19.295 -3.199 -4.842
94 1HH2 ARG 33 2HH1 ARG 33 17.559 -4.219 -1.938
95 2HH2 ARG 33 1HH1 ARG 33 18.283 -4.789 -3.385
96 H GLN 34 H GLN 34 17.583 3.419 -0.932
97 HA GLN 34 HA GLN 34 20.011 3.303 -2.172
98 1HB GLN 34 2HB GLN 34 18.987 5.696 -0.564
99 2HB GLN 34 1HB GLN 34 20.214 5.789 -1.809
100 1HG GLN 34 2HG GLN 34 18.622 5.065 -3.541
101 2HG GLN 34 1HG GLN 34 17.364 4.794 -2.341
102 1HE2 GLN 34 1HE2 GLN 34 15.937 6.510 -2.178
103 2HE2 GLN 34 2HE2 GLN 34 16.348 8.126 -2.533
104 H ARG 35 H ARG 35 19.544 3.804 1.231
105 HA ARG 35 HA ARG 35 22.453 3.807 1.710
106 1HB ARG 35 2HB ARG 35 20.120 4.487 3.547
107 2HB ARG 35 1HB ARG 35 21.803 4.625 3.983
108 1HG ARG 35 2HG ARG 35 20.508 6.135 1.647
109 2HG ARG 35 1HG ARG 35 20.740 6.832 3.226
110 1HD ARG 35 2HD ARG 35 22.924 5.875 1.327
111 2HD ARG 35 1HD ARG 35 22.592 7.550 1.756
112 HE ARG 35 HE ARG 35 23.047 6.751 4.182
113 1HH1 ARG 35 1HH2 ARG 35 24.746 5.568 1.396
114 2HH1 ARG 35 2HH2 ARG 35 26.155 5.145 2.259
115 1HH2 ARG 35 2HH1 ARG 35 24.847 6.228 5.341
116 2HH2 ARG 35 1HH1 ARG 35 26.224 5.556 4.582
117 H TYR 36 H TYR 36 21.686 1.472 0.926
118 HA TYR 36 HA TYR 36 21.398 -0.280 3.347
119 1HB TYR 36 2HB TYR 36 20.629 -0.640 0.439
120 2HB TYR 36 1HB TYR 36 21.312 -2.041 1.221
121 HD1 TYR 36 HD1 TYR 36 19.369 -3.370 1.098
122 HD2 TYR 36 HD2 TYR 36 19.126 0.406 3.063
123 HE1 TYR 36 HE1 TYR 36 17.193 -3.995 2.029
124 HE2 TYR 36 HE2 TYR 36 16.948 -0.237 3.993
125 HH TYR 36 HH TYR 36 15.861 -3.187 4.290
126 1HT TYR 36 1HT TYR 36 23.349 0.019 0.305
127 2HT TYR 36 2HT TYR 36 24.707 -0.742 0.995
Start of MODEL 3
1 HN AYA 24 H ALA 24 3.143 -1.537 1.085
2 HA AYA 24 HA ALA 24 5.337 -0.130 1.159
3 1HB AYA 24 1HB ALA 24 5.362 -0.123 3.653
4 2HB AYA 24 2HB ALA 24 4.365 -1.566 3.672
5 3HB AYA 24 3HB ALA 24 3.724 -0.065 3.029
6 1HM AYA 24 1HA ALA 24 3.199 -3.393 -1.568
7 2HM AYA 24 2HA ALA 24 2.196 -2.974 -0.177
8 3HM AYA 24 3HA ALA 24 3.063 -4.515 -0.213
9 H ARG 25 H ARG 25 5.366 -3.237 2.570
10 HA ARG 25 HA ARG 25 7.814 -3.777 3.558
11 1HB ARG 25 2HB ARG 25 5.863 -5.468 3.107
12 2HB ARG 25 1HB ARG 25 6.609 -5.762 1.550
13 1HG ARG 25 2HG ARG 25 8.787 -6.350 2.791
14 2HG ARG 25 1HG ARG 25 7.930 -6.121 4.283
15 1HD ARG 25 2HD ARG 25 8.029 -8.526 3.811
16 2HD ARG 25 1HD ARG 25 6.362 -7.946 3.699
17 HE ARG 25 HE ARG 25 7.795 -7.927 1.150
18 1HH1 ARG 25 1HH2 ARG 25 5.884 -9.840 3.316
19 2HH1 ARG 25 2HH2 ARG 25 5.293 -10.907 2.115
20 1HH2 ARG 25 2HH1 ARG 25 7.090 -9.257 -0.449
21 2HH2 ARG 25 1HH1 ARG 25 6.026 -10.564 -0.134
22 H HIS 26 H HIS 26 7.151 -4.065 0.091
23 HA HIS 26 HA HIS 26 10.096 -3.789 -0.453
24 1HB HIS 26 2HB HIS 26 7.954 -5.152 -2.155
25 2HB HIS 26 1HB HIS 26 9.646 -5.044 -2.568
26 HD1 HIS 26 HD1 HIS 26 8.740 -7.741 -2.537
27 HD2 HIS 26 HD2 HIS 26 9.895 -5.909 0.999
28 HE1 HIS 26 HE1 HIS 26 9.336 -9.515 -0.851
29 H TYR 27 H TYR 27 8.342 -1.619 -0.094
30 HA TYR 27 HA TYR 27 8.580 -0.271 -2.762
31 1HB TYR 27 2HB TYR 27 6.182 -0.949 -2.233
32 2HB TYR 27 1HB TYR 27 6.227 0.062 -0.813
33 HD1 TYR 27 HD1 TYR 27 7.007 0.369 -4.482
34 HD2 TYR 27 HD2 TYR 27 5.263 2.192 -1.049
35 HE1 TYR 27 HE1 TYR 27 6.272 2.271 -5.852
36 HE2 TYR 27 HE2 TYR 27 4.534 4.080 -2.422
37 HH TYR 27 HH TYR 27 5.109 5.170 -4.514
38 H LYS 28 H LYS 28 7.755 0.349 0.570
39 HA LYS 28 HA LYS 28 8.997 2.963 0.727
40 1HB LYS 28 2HB LYS 28 7.022 1.797 2.122
41 2HB LYS 28 1HB LYS 28 8.312 1.135 3.094
42 1HG LYS 28 2HG LYS 28 7.792 4.094 2.636
43 2HG LYS 28 1HG LYS 28 7.319 3.204 4.058
44 1HD LYS 28 2HD LYS 28 9.309 3.569 4.977
45 2HD LYS 28 1HD LYS 28 10.106 2.664 3.719
46 1HE LYS 28 2HE LYS 28 9.870 4.892 2.316
47 2HE LYS 28 1HE LYS 28 9.571 5.648 3.885
48 HZ LYS 28 HZ LYS 28 11.743 4.516 4.601
49 H ASN 29 H ASN 29 9.755 -0.264 1.873
50 HA ASN 29 HA ASN 29 12.448 0.508 2.683
51 1HB ASN 29 2HB ASN 29 11.366 -2.329 2.313
52 2HB ASN 29 1HB ASN 29 12.793 -1.871 3.223
53 1HD2 ASN 29 1HD2 ASN 29 9.551 -2.525 3.558
54 2HD2 ASN 29 2HD2 ASN 29 9.290 -1.795 5.081
55 H LEU 30 H LEU 30 11.335 0.435 -0.178
56 HA LEU 30 HA LEU 30 13.656 -0.898 -1.499
57 1HB LEU 30 2HB LEU 30 11.729 -1.558 -2.789
58 2HB LEU 30 1HB LEU 30 10.806 -0.159 -2.337
59 HG LEU 30 HG LEU 30 12.196 1.251 -3.755
60 1HD1 LEU 30 1HD1 LEU 30 14.312 -0.096 -3.779
61 2HD1 LEU 30 2HD1 LEU 30 13.771 0.168 -5.427
62 3HD1 LEU 30 3HD1 LEU 30 13.496 -1.386 -4.655
63 1HD2 LEU 30 1HD2 LEU 30 10.955 -1.112 -5.214
64 2HD2 LEU 30 2HD2 LEU 30 11.367 0.424 -5.968
65 3HD2 LEU 30 3HD2 LEU 30 10.153 0.362 -4.705
66 H LEU 31 H LEU 31 11.580 2.015 -1.572
67 HA LEU 31 HA LEU 31 13.389 3.845 -2.640
68 1HB LEU 31 2HB LEU 31 11.300 4.204 -0.445
69 2HB LEU 31 1HB LEU 31 12.182 5.572 -1.072
70 HG LEU 31 HG LEU 31 10.488 3.703 -2.817
71 1HD1 LEU 31 1HD1 LEU 31 9.871 6.510 -1.751
72 2HD1 LEU 31 2HD1 LEU 31 9.097 5.030 -1.207
73 3HD1 LEU 31 3HD1 LEU 31 8.851 5.593 -2.846
74 1HD2 LEU 31 1HD2 LEU 31 12.325 4.939 -4.051
75 2HD2 LEU 31 2HD2 LEU 31 11.735 6.452 -3.393
76 3HD2 LEU 31 3HD2 LEU 31 10.744 5.528 -4.506
77 H GLU 32 H GLU 32 13.113 2.805 0.699
78 HA GLU 32 HA GLU 32 15.498 4.416 1.412
79 1HB GLU 32 2HB GLU 32 13.510 2.744 2.977
80 2HB GLU 32 1HB GLU 32 15.022 3.138 3.749
81 1HG GLU 32 2HG GLU 32 13.727 4.990 4.387
82 2HG GLU 32 1HG GLU 32 14.361 5.645 2.883
83 H ARG 33 H ARG 33 15.814 2.150 -0.435
84 HA ARG 33 HA ARG 33 17.549 0.317 1.159
85 1HB ARG 33 2HB ARG 33 17.574 -1.137 -0.758
86 2HB ARG 33 1HB ARG 33 15.951 -0.536 -0.692
87 1HG ARG 33 2HG ARG 33 16.325 -0.318 -2.956
88 2HG ARG 33 1HG ARG 33 16.787 1.278 -2.445
89 1HD ARG 33 2HD ARG 33 18.851 0.982 -3.343
90 2HD ARG 33 1HD ARG 33 19.198 -0.345 -2.285
91 HE ARG 33 HE ARG 33 17.949 -0.478 -5.014
92 1HH1 ARG 33 1HH2 ARG 33 19.369 -2.106 -2.347
93 2HH1 ARG 33 2HH2 ARG 33 19.620 -3.587 -3.164
94 1HH2 ARG 33 2HH1 ARG 33 18.209 -2.407 -6.182
95 2HH2 ARG 33 1HH1 ARG 33 18.909 -3.766 -5.430
96 H GLN 34 H GLN 34 17.659 2.933 -1.138
97 HA GLN 34 HA GLN 34 20.599 2.659 -1.449
98 1HB GLN 34 2HB GLN 34 19.103 3.340 -3.401
99 2HB GLN 34 1HB GLN 34 18.668 4.790 -2.527
100 1HG GLN 34 2HG GLN 34 20.833 5.744 -2.750
101 2HG GLN 34 1HG GLN 34 21.591 4.203 -3.129
102 1HE2 GLN 34 1HE2 GLN 34 22.390 4.824 -5.254
103 2HE2 GLN 34 2HE2 GLN 34 21.321 5.226 -6.512
104 H ARG 35 H ARG 35 19.467 3.036 1.092
105 HA ARG 35 HA ARG 35 20.740 5.537 1.998
106 1HB ARG 35 2HB ARG 35 18.278 5.724 2.223
107 2HB ARG 35 1HB ARG 35 18.205 4.172 3.036
108 1HG ARG 35 2HG ARG 35 19.445 5.080 4.989
109 2HG ARG 35 1HG ARG 35 19.694 6.601 4.155
110 1HD ARG 35 2HD ARG 35 17.437 7.193 4.261
111 2HD ARG 35 1HD ARG 35 16.840 5.593 4.592
112 HE ARG 35 HE ARG 35 17.960 7.533 6.496
113 1HH1 ARG 35 1HH2 ARG 35 17.241 4.248 5.855
114 2HH1 ARG 35 2HH2 ARG 35 16.966 3.770 7.470
115 1HH2 ARG 35 2HH1 ARG 35 17.701 6.999 8.701
116 2HH2 ARG 35 1HH1 ARG 35 17.278 5.402 9.150
117 H TYR 36 H TYR 36 20.648 2.199 1.989
118 HA TYR 36 HA TYR 36 22.278 1.984 4.484
119 1HB TYR 36 2HB TYR 36 19.986 0.741 4.410
120 2HB TYR 36 1HB TYR 36 20.656 -0.227 3.109
121 HD1 TYR 36 HD1 TYR 36 21.450 0.837 6.628
122 HD2 TYR 36 HD2 TYR 36 21.859 -2.185 3.647
123 HE1 TYR 36 HE1 TYR 36 22.523 -0.648 8.263
124 HE2 TYR 36 HE2 TYR 36 22.919 -3.652 5.283
125 HH TYR 36 HH TYR 36 24.092 -3.532 7.385
126 1HT TYR 36 1HT TYR 36 23.662 2.877 2.381
127 2HT TYR 36 2HT TYR 36 24.524 1.632 1.601
Start of MODEL 4
1 HN AYA 24 H ALA 24 1.724 -0.183 0.019
2 HA AYA 24 HA ALA 24 4.241 -1.154 -1.111
3 1HB AYA 24 1HB ALA 24 3.807 1.318 -1.016
4 2HB AYA 24 2HB ALA 24 5.227 0.920 -0.057
5 3HB AYA 24 3HB ALA 24 3.701 1.234 0.738
6 1HM AYA 24 1HA ALA 24 -0.157 -1.225 -0.462
7 2HM AYA 24 2HA ALA 24 0.000 -2.962 -0.184
8 3HM AYA 24 3HA ALA 24 0.003 -2.328 -1.829
9 H ARG 25 H ARG 25 3.854 -3.175 0.170
10 HA ARG 25 HA ARG 25 4.619 -3.010 3.028
11 1HB ARG 25 2HB ARG 25 4.188 -5.457 3.052
12 2HB ARG 25 1HB ARG 25 2.843 -4.618 2.320
13 1HG ARG 25 2HG ARG 25 3.742 -5.249 0.018
14 2HG ARG 25 1HG ARG 25 5.035 -6.143 0.809
15 1HD ARG 25 2HD ARG 25 3.424 -7.824 0.309
16 2HD ARG 25 1HD ARG 25 3.277 -7.501 2.002
17 HE ARG 25 HE ARG 25 1.253 -6.317 1.689
18 1HH1 ARG 25 1HH2 ARG 25 2.555 -7.559 -1.256
19 2HH1 ARG 25 2HH2 ARG 25 1.088 -7.504 -2.129
20 1HH2 ARG 25 2HH1 ARG 25 -0.715 -6.177 0.594
21 2HH2 ARG 25 1HH1 ARG 25 -0.825 -6.667 -1.040
22 H HIS 26 H HIS 26 5.896 -4.518 0.087
23 HA HIS 26 HA HIS 26 8.602 -4.638 1.384
24 1HB HIS 26 2HB HIS 26 7.448 -6.799 0.511
25 2HB HIS 26 1HB HIS 26 7.611 -6.123 -1.107
26 HD1 HIS 26 HD1 HIS 26 9.005 -8.569 -0.994
27 HD2 HIS 26 HD2 HIS 26 10.776 -5.132 0.537
28 HE1 HIS 26 HE1 HIS 26 11.483 -8.897 -0.889
29 H TYR 27 H TYR 27 7.500 -2.357 0.572
30 HA TYR 27 HA TYR 27 9.090 -1.591 -1.844
31 1HB TYR 27 2HB TYR 27 6.262 -1.090 -1.157
32 2HB TYR 27 1HB TYR 27 7.093 0.398 -1.594
33 HD1 TYR 27 HD1 TYR 27 8.632 0.268 -3.651
34 HD2 TYR 27 HD2 TYR 27 5.507 -2.528 -2.944
35 HE1 TYR 27 HE1 TYR 27 8.645 -0.342 -6.027
36 HE2 TYR 27 HE2 TYR 27 5.521 -3.133 -5.319
37 HH TYR 27 HH TYR 27 7.012 -3.048 -7.245
38 H LYS 28 H LYS 28 7.828 -0.384 1.209
39 HA LYS 28 HA LYS 28 9.001 2.058 1.483
40 1HB LYS 28 2HB LYS 28 7.718 0.791 3.306
41 2HB LYS 28 1HB LYS 28 9.143 -0.184 3.600
42 1HG LYS 28 2HG LYS 28 9.240 1.491 5.259
43 2HG LYS 28 1HG LYS 28 10.384 2.035 4.061
44 1HD LYS 28 2HD LYS 28 8.211 3.303 3.067
45 2HD LYS 28 1HD LYS 28 7.629 3.078 4.704
46 1HE LYS 28 2HE LYS 28 8.797 5.218 4.548
47 2HE LYS 28 1HE LYS 28 9.761 4.140 5.554
48 HZ LYS 28 HZ LYS 28 10.243 4.507 2.627
49 H ASN 29 H ASN 29 10.688 -0.952 1.987
50 HA ASN 29 HA ASN 29 13.236 0.397 2.359
51 1HB ASN 29 2HB ASN 29 12.485 -2.557 2.246
52 2HB ASN 29 1HB ASN 29 14.114 -1.979 2.553
53 1HD2 ASN 29 1HD2 ASN 29 11.546 -3.062 4.319
54 2HD2 ASN 29 2HD2 ASN 29 11.754 -2.077 5.687
55 H LEU 30 H LEU 30 11.857 0.535 -0.336
56 HA LEU 30 HA LEU 30 14.115 -0.506 -1.981
57 1HB LEU 30 2HB LEU 30 12.147 -1.152 -3.198
58 2HB LEU 30 1HB LEU 30 11.177 0.149 -2.571
59 HG LEU 30 HG LEU 30 12.307 1.774 -3.894
60 1HD1 LEU 30 1HD1 LEU 30 13.953 1.069 -5.698
61 2HD1 LEU 30 2HD1 LEU 30 13.906 -0.575 -5.070
62 3HD1 LEU 30 3HD1 LEU 30 14.604 0.720 -4.116
63 1HD2 LEU 30 1HD2 LEU 30 10.403 0.698 -4.870
64 2HD2 LEU 30 2HD2 LEU 30 11.429 -0.577 -5.541
65 3HD2 LEU 30 3HD2 LEU 30 11.581 1.077 -6.124
66 H LEU 31 H LEU 31 11.852 2.193 -1.782
67 HA LEU 31 HA LEU 31 13.660 4.180 -2.764
68 1HB LEU 31 2HB LEU 31 12.067 5.784 -1.431
69 2HB LEU 31 1HB LEU 31 11.406 4.889 -2.775
70 HG LEU 31 HG LEU 31 11.274 3.390 -0.186
71 1HD1 LEU 31 1HD1 LEU 31 9.504 5.866 -0.675
72 2HD1 LEU 31 2HD1 LEU 31 10.734 5.808 0.567
73 3HD1 LEU 31 3HD1 LEU 31 9.338 4.755 0.671
74 1HD2 LEU 31 1HD2 LEU 31 9.024 2.879 -0.989
75 2HD2 LEU 31 2HD2 LEU 31 10.165 2.609 -2.283
76 3HD2 LEU 31 3HD2 LEU 31 9.181 4.052 -2.280
77 H GLU 32 H GLU 32 13.269 2.785 0.361
78 HA GLU 32 HA GLU 32 15.185 4.768 1.534
79 1HB GLU 32 2HB GLU 32 13.582 2.563 2.932
80 2HB GLU 32 1HB GLU 32 14.465 3.851 3.721
81 1HG GLU 32 2HG GLU 32 12.966 5.543 2.642
82 2HG GLU 32 1HG GLU 32 12.095 4.256 1.836
83 H ARG 33 H ARG 33 15.886 2.687 -0.409
84 HA ARG 33 HA ARG 33 17.616 0.925 1.271
85 1HB ARG 33 2HB ARG 33 17.623 -0.580 -0.542
86 2HB ARG 33 1HB ARG 33 16.054 0.126 -0.645
87 1HG ARG 33 2HG ARG 33 16.513 0.231 -2.840
88 2HG ARG 33 1HG ARG 33 17.104 1.801 -2.425
89 1HD ARG 33 2HD ARG 33 18.790 0.639 -3.781
90 2HD ARG 33 1HD ARG 33 19.471 0.737 -2.172
91 HE ARG 33 HE ARG 33 18.074 -1.633 -3.361
92 1HH1 ARG 33 1HH2 ARG 33 20.273 -0.359 -0.947
93 2HH1 ARG 33 2HH2 ARG 33 20.781 -1.902 -0.426
94 1HH2 ARG 33 2HH1 ARG 33 18.683 -3.627 -2.668
95 2HH2 ARG 33 1HH1 ARG 33 19.842 -3.801 -1.419
96 H GLN 34 H GLN 34 17.692 3.322 -1.189
97 HA GLN 34 HA GLN 34 20.126 3.567 -2.251
98 1HB GLN 34 2HB GLN 34 18.754 5.917 -0.882
99 2HB GLN 34 1HB GLN 34 19.949 6.010 -2.157
100 1HG GLN 34 2HG GLN 34 18.317 4.650 -3.634
101 2HG GLN 34 1HG GLN 34 17.121 4.849 -2.365
102 1HE2 GLN 34 1HE2 GLN 34 19.485 7.371 -3.518
103 2HE2 GLN 34 2HE2 GLN 34 18.233 8.406 -3.995
104 H ARG 35 H ARG 35 19.649 4.753 1.058
105 HA ARG 35 HA ARG 35 22.601 4.858 1.327
106 1HB ARG 35 2HB ARG 35 22.289 6.637 2.946
107 2HB ARG 35 1HB ARG 35 21.370 7.051 1.513
108 1HG ARG 35 2HG ARG 35 19.321 5.950 2.744
109 2HG ARG 35 1HG ARG 35 20.339 5.927 4.163
110 1HD ARG 35 2HD ARG 35 19.170 7.987 4.426
111 2HD ARG 35 1HD ARG 35 20.699 8.446 3.751
112 HE ARG 35 HE ARG 35 19.738 8.814 1.614
113 1HH1 ARG 35 1HH2 ARG 35 17.469 7.733 3.958
114 2HH1 ARG 35 2HH2 ARG 35 16.068 8.245 3.118
115 1HH2 ARG 35 2HH1 ARG 35 17.952 9.511 0.408
116 2HH2 ARG 35 1HH1 ARG 35 16.368 9.275 0.999
117 H TYR 36 H TYR 36 21.042 2.515 1.673
118 HA TYR 36 HA TYR 36 21.501 1.944 4.584
119 1HB TYR 36 2HB TYR 36 19.015 1.840 3.695
120 2HB TYR 36 1HB TYR 36 19.537 0.435 2.775
121 HD1 TYR 36 HD1 TYR 36 19.530 1.834 6.231
122 HD2 TYR 36 HD2 TYR 36 19.653 -1.707 3.875
123 HE1 TYR 36 HE1 TYR 36 19.354 0.469 8.266
124 HE2 TYR 36 HE2 TYR 36 19.465 -3.062 5.915
125 HH TYR 36 HH TYR 36 20.171 -2.525 8.542
126 1HT TYR 36 1HT TYR 36 23.760 1.572 3.704
127 2HT TYR 36 2HT TYR 36 24.090 0.063 2.992
Start of MODEL 5
1 HN AYA 24 H ALA 24 1.383 -2.284 1.113
2 HA AYA 24 HA ALA 24 2.983 -2.990 -1.284
3 1HB AYA 24 1HB ALA 24 2.067 -0.685 -0.974
4 2HB AYA 24 2HB ALA 24 3.815 -0.660 -1.025
5 3HB AYA 24 3HB ALA 24 2.997 -0.520 0.513
6 1HM AYA 24 1HA ALA 24 -0.910 -4.516 0.343
7 2HM AYA 24 2HA ALA 24 -0.328 -3.542 1.691
8 3HM AYA 24 3HA ALA 24 0.070 -5.263 1.602
9 H ARG 25 H ARG 25 3.234 -4.682 0.670
10 HA ARG 25 HA ARG 25 4.808 -4.930 2.729
11 1HB ARG 25 2HB ARG 25 3.944 -6.834 1.377
12 2HB ARG 25 1HB ARG 25 5.256 -6.628 0.233
13 1HG ARG 25 2HG ARG 25 6.928 -7.167 1.985
14 2HG ARG 25 1HG ARG 25 5.673 -7.206 3.209
15 1HD ARG 25 2HD ARG 25 4.634 -9.160 2.165
16 2HD ARG 25 1HD ARG 25 5.724 -9.076 0.801
17 HE ARG 25 HE ARG 25 6.555 -9.605 3.649
18 1HH1 ARG 25 1HH2 ARG 25 7.004 -10.146 0.257
19 2HH1 ARG 25 2HH2 ARG 25 8.280 -11.257 0.453
20 1HH2 ARG 25 2HH1 ARG 25 8.225 -11.045 3.966
21 2HH2 ARG 25 1HH1 ARG 25 8.992 -11.792 2.636
22 H HIS 26 H HIS 26 6.450 -4.521 -0.386
23 HA HIS 26 HA HIS 26 8.892 -3.717 1.164
24 1HB HIS 26 2HB HIS 26 8.989 -6.044 0.037
25 2HB HIS 26 1HB HIS 26 8.943 -5.199 -1.505
26 HD1 HIS 26 HD1 HIS 26 10.853 -3.194 -1.576
27 HD2 HIS 26 HD2 HIS 26 11.465 -6.442 0.935
28 HE1 HIS 26 HE1 HIS 26 13.307 -3.347 -1.005
29 H TYR 27 H TYR 27 7.296 -1.747 0.611
30 HA TYR 27 HA TYR 27 8.165 -0.532 -1.991
31 1HB TYR 27 2HB TYR 27 5.777 -0.618 -1.488
32 2HB TYR 27 1HB TYR 27 5.970 0.282 -0.002
33 HD1 TYR 27 HD1 TYR 27 6.884 2.734 -0.222
34 HD2 TYR 27 HD2 TYR 27 5.483 0.476 -3.557
35 HE1 TYR 27 HE1 TYR 27 6.614 4.791 -1.510
36 HE2 TYR 27 HE2 TYR 27 5.219 2.548 -4.836
37 HH TYR 27 HH TYR 27 6.516 5.508 -3.865
38 H LYS 28 H LYS 28 7.621 0.746 1.253
39 HA LYS 28 HA LYS 28 9.288 3.000 1.136
40 1HB LYS 28 2HB LYS 28 7.811 2.386 3.127
41 2HB LYS 28 1HB LYS 28 8.964 1.148 3.582
42 1HG LYS 28 2HG LYS 28 10.401 3.655 3.221
43 2HG LYS 28 1HG LYS 28 9.011 3.962 4.230
44 1HD LYS 28 2HD LYS 28 9.688 2.273 5.842
45 2HD LYS 28 1HD LYS 28 10.957 1.688 4.782
46 1HE LYS 28 2HE LYS 28 10.854 4.523 5.928
47 2HE LYS 28 1HE LYS 28 11.873 3.219 6.537
48 HZ LYS 28 HZ LYS 28 12.978 3.141 4.345
49 H ASN 29 H ASN 29 10.044 -0.148 2.269
50 HA ASN 29 HA ASN 29 12.731 -0.047 2.761
51 1HB ASN 29 2HB ASN 29 11.372 -2.478 1.467
52 2HB ASN 29 1HB ASN 29 12.719 -2.520 2.586
53 1HD2 ASN 29 1HD2 ASN 29 12.054 -3.062 4.736
54 2HD2 ASN 29 2HD2 ASN 29 10.509 -2.692 5.336
55 H LEU 30 H LEU 30 11.565 0.374 -0.151
56 HA LEU 30 HA LEU 30 14.064 -0.496 -1.534
57 1HB LEU 30 2HB LEU 30 12.291 -1.320 -2.851
58 2HB LEU 30 1HB LEU 30 11.171 -0.109 -2.310
59 HG LEU 30 HG LEU 30 12.176 1.550 -3.695
60 1HD1 LEU 30 1HD1 LEU 30 13.976 -0.728 -4.746
61 2HD1 LEU 30 2HD1 LEU 30 14.567 0.665 -3.854
62 3HD1 LEU 30 3HD1 LEU 30 13.896 0.874 -5.458
63 1HD2 LEU 30 1HD2 LEU 30 11.475 -1.024 -5.172
64 2HD2 LEU 30 2HD2 LEU 30 11.434 0.576 -5.896
65 3HD2 LEU 30 3HD2 LEU 30 10.338 0.177 -4.585
66 H LEU 31 H LEU 31 11.797 2.271 -1.595
67 HA LEU 31 HA LEU 31 13.554 4.182 -2.667
68 1HB LEU 31 2HB LEU 31 11.482 4.605 -0.455
69 2HB LEU 31 1HB LEU 31 12.212 5.910 -1.371
70 HG LEU 31 HG LEU 31 10.511 3.658 -2.567
71 1HD1 LEU 31 1HD1 LEU 31 8.861 5.460 -2.938
72 2HD1 LEU 31 2HD1 LEU 31 9.918 6.628 -2.159
73 3HD1 LEU 31 3HD1 LEU 31 9.216 5.313 -1.229
74 1HD2 LEU 31 1HD2 LEU 31 10.633 5.004 -4.659
75 2HD2 LEU 31 2HD2 LEU 31 12.243 4.525 -4.198
76 3HD2 LEU 31 3HD2 LEU 31 11.692 6.164 -3.886
77 H GLU 32 H GLU 32 13.443 2.951 0.547
78 HA GLU 32 HA GLU 32 15.666 4.793 1.353
79 1HB GLU 32 2HB GLU 32 13.764 2.994 2.836
80 2HB GLU 32 1HB GLU 32 15.102 3.753 3.674
81 1HG GLU 32 2HG GLU 32 14.263 5.976 3.223
82 2HG GLU 32 1HG GLU 32 13.125 5.397 2.018
83 H ARG 33 H ARG 33 16.230 2.598 -0.461
84 HA ARG 33 HA ARG 33 17.872 0.857 1.339
85 1HB ARG 33 2HB ARG 33 17.931 -0.735 -0.482
86 2HB ARG 33 1HB ARG 33 16.303 -0.173 -0.325
87 1HG ARG 33 2HG ARG 33 16.417 -0.113 -2.574
88 2HG ARG 33 1HG ARG 33 16.980 1.507 -2.279
89 1HD ARG 33 2HD ARG 33 19.349 0.664 -2.377
90 2HD ARG 33 1HD ARG 33 18.777 -0.946 -2.690
91 HE ARG 33 HE ARG 33 18.463 1.465 -4.419
92 1HH1 ARG 33 1HH2 ARG 33 18.257 -1.954 -4.070
93 2HH1 ARG 33 2HH2 ARG 33 18.238 -2.315 -5.744
94 1HH2 ARG 33 2HH1 ARG 33 18.325 1.105 -6.629
95 2HH2 ARG 33 1HH1 ARG 33 18.211 -0.478 -7.262
96 H GLN 34 H GLN 34 18.274 2.856 -1.641
97 HA GLN 34 HA GLN 34 20.825 2.877 -2.298
98 1HB GLN 34 2HB GLN 34 19.002 5.223 -1.780
99 2HB GLN 34 1HB GLN 34 20.687 5.601 -2.045
100 1HG GLN 34 2HG GLN 34 19.752 5.712 -4.221
101 2HG GLN 34 1HG GLN 34 20.503 4.134 -4.203
102 1HE2 GLN 34 1HE2 GLN 34 17.886 5.452 -5.473
103 2HE2 GLN 34 2HE2 GLN 34 16.757 4.205 -5.261
104 H ARG 35 H ARG 35 19.956 4.618 0.625
105 HA ARG 35 HA ARG 35 22.758 4.398 1.562
106 1HB ARG 35 2HB ARG 35 20.826 6.735 1.721
107 2HB ARG 35 1HB ARG 35 22.054 6.569 2.951
108 1HG ARG 35 2HG ARG 35 23.811 6.457 1.107
109 2HG ARG 35 1HG ARG 35 22.555 6.913 -0.030
110 1HD ARG 35 2HD ARG 35 22.163 9.025 1.083
111 2HD ARG 35 1HD ARG 35 23.057 8.547 2.501
112 HE ARG 35 HE ARG 35 25.127 8.532 1.134
113 1HH1 ARG 35 1HH2 ARG 35 22.445 10.407 0.015
114 2HH1 ARG 35 2HH2 ARG 35 23.397 11.536 -0.843
115 1HH2 ARG 35 2HH1 ARG 35 26.414 9.920 -0.009
116 2HH2 ARG 35 1HH1 ARG 35 25.740 11.223 -0.883
117 H TYR 36 H TYR 36 21.003 2.371 2.192
118 HA TYR 36 HA TYR 36 19.858 2.862 4.872
119 1HB TYR 36 2HB TYR 36 18.994 1.114 3.127
120 2HB TYR 36 1HB TYR 36 20.375 0.130 3.573
121 HD1 TYR 36 HD1 TYR 36 20.598 -0.482 6.179
122 HD2 TYR 36 HD2 TYR 36 17.023 1.007 4.394
123 HE1 TYR 36 HE1 TYR 36 19.305 -1.313 8.061
124 HE2 TYR 36 HE2 TYR 36 15.738 0.159 6.287
125 HH TYR 36 HH TYR 36 15.954 -0.588 8.510
126 1HT TYR 36 1HT TYR 36 22.152 3.780 5.386
127 2HT TYR 36 2HT TYR 36 23.278 2.669 6.040
Start of MODEL 6
1 HN AYA 24 H ALA 24 1.314 -3.606 -0.474
2 HA AYA 24 HA ALA 24 3.838 -2.218 -0.974
3 1HB AYA 24 1HB ALA 24 1.719 -1.765 1.173
4 2HB AYA 24 2HB ALA 24 1.756 -0.964 -0.397
5 3HB AYA 24 3HB ALA 24 3.023 -0.657 0.783
6 1HM AYA 24 1HA ALA 24 0.707 -5.289 -1.712
7 2HM AYA 24 2HA ALA 24 2.003 -6.474 -1.876
8 3HM AYA 24 3HA ALA 24 1.629 -5.387 -3.214
9 H ARG 25 H ARG 25 4.948 -4.303 -0.459
10 HA ARG 25 HA ARG 25 5.418 -4.663 2.483
11 1HB ARG 25 2HB ARG 25 4.911 -6.705 1.065
12 2HB ARG 25 1HB ARG 25 6.369 -6.401 0.135
13 1HG ARG 25 2HG ARG 25 7.642 -6.478 2.414
14 2HG ARG 25 1HG ARG 25 6.160 -7.093 3.094
15 1HD ARG 25 2HD ARG 25 7.649 -8.345 0.752
16 2HD ARG 25 1HD ARG 25 7.785 -8.942 2.373
17 HE ARG 25 HE ARG 25 5.448 -9.156 0.567
18 1HH1 ARG 25 1HH2 ARG 25 6.672 -9.409 3.743
19 2HH1 ARG 25 2HH2 ARG 25 5.506 -10.523 4.325
20 1HH2 ARG 25 2HH1 ARG 25 3.809 -10.584 1.218
21 2HH2 ARG 25 1HH1 ARG 25 3.782 -11.188 2.817
22 H HIS 26 H HIS 26 7.396 -4.670 -0.483
23 HA HIS 26 HA HIS 26 9.548 -3.263 1.069
24 1HB HIS 26 2HB HIS 26 9.727 -5.019 -1.446
25 2HB HIS 26 1HB HIS 26 11.081 -4.160 -0.742
26 HD1 HIS 26 HD1 HIS 26 11.506 -7.045 -0.844
27 HD2 HIS 26 HD2 HIS 26 9.471 -5.284 2.330
28 HE1 HIS 26 HE1 HIS 26 11.579 -8.577 1.134
29 H TYR 27 H TYR 27 8.014 -1.486 0.638
30 HA TYR 27 HA TYR 27 8.457 -0.212 -2.058
31 1HB TYR 27 2HB TYR 27 6.047 -0.728 -1.034
32 2HB TYR 27 1HB TYR 27 6.315 0.679 -0.045
33 HD1 TYR 27 HD1 TYR 27 7.094 2.879 -1.406
34 HD2 TYR 27 HD2 TYR 27 5.071 -0.453 -3.132
35 HE1 TYR 27 HE1 TYR 27 6.333 4.278 -3.269
36 HE2 TYR 27 HE2 TYR 27 4.325 0.956 -4.976
37 HH TYR 27 HH TYR 27 5.161 3.182 -6.126
38 H LYS 28 H LYS 28 7.705 1.029 1.157
39 HA LYS 28 HA LYS 28 9.315 3.344 1.073
40 1HB LYS 28 2HB LYS 28 7.623 2.903 2.893
41 2HB LYS 28 1HB LYS 28 8.616 1.603 3.509
42 1HG LYS 28 2HG LYS 28 9.094 3.447 4.922
43 2HG LYS 28 1HG LYS 28 10.477 3.384 3.859
44 1HD LYS 28 2HD LYS 28 9.171 5.117 2.393
45 2HD LYS 28 1HD LYS 28 8.120 5.282 3.785
46 1HE LYS 28 2HE LYS 28 9.799 6.947 4.090
47 2HE LYS 28 1HE LYS 28 10.291 5.643 5.162
48 HZ LYS 28 HZ LYS 28 11.387 5.980 2.404
49 H ASN 29 H ASN 29 9.913 0.210 2.270
50 HA ASN 29 HA ASN 29 12.618 0.520 3.050
51 1HB ASN 29 2HB ASN 29 10.749 -1.445 3.518
52 2HB ASN 29 1HB ASN 29 11.605 -2.206 2.197
53 1HD2 ASN 29 1HD2 ASN 29 14.342 -1.128 3.030
54 2HD2 ASN 29 2HD2 ASN 29 14.667 -1.972 4.471
55 H LEU 30 H LEU 30 11.467 0.523 0.138
56 HA LEU 30 HA LEU 30 13.909 -0.570 -1.184
57 1HB LEU 30 2HB LEU 30 12.131 -1.502 -2.402
58 2HB LEU 30 1HB LEU 30 10.995 -0.289 -1.929
59 HG LEU 30 HG LEU 30 12.032 1.295 -3.499
60 1HD1 LEU 30 1HD1 LEU 30 13.583 -1.178 -4.437
61 2HD1 LEU 30 2HD1 LEU 30 14.323 0.238 -3.701
62 3HD1 LEU 30 3HD1 LEU 30 13.566 0.365 -5.277
63 1HD2 LEU 30 1HD2 LEU 30 10.060 -0.012 -4.125
64 2HD2 LEU 30 2HD2 LEU 30 11.072 -1.340 -4.675
65 3HD2 LEU 30 3HD2 LEU 30 11.084 0.191 -5.540
66 H LEU 31 H LEU 31 11.649 2.197 -1.289
67 HA LEU 31 HA LEU 31 13.270 4.052 -2.649
68 1HB LEU 31 2HB LEU 31 11.289 4.453 -0.364
69 2HB LEU 31 1HB LEU 31 12.147 5.817 -1.052
70 HG LEU 31 HG LEU 31 11.359 5.019 -3.314
71 1HD1 LEU 31 1HD1 LEU 31 9.233 3.735 -3.395
72 2HD1 LEU 31 2HD1 LEU 31 9.356 3.435 -1.672
73 3HD1 LEU 31 3HD1 LEU 31 10.538 2.754 -2.779
74 1HD2 LEU 31 1HD2 LEU 31 10.417 7.023 -2.226
75 2HD2 LEU 31 2HD2 LEU 31 9.282 6.045 -1.315
76 3HD2 LEU 31 3HD2 LEU 31 9.132 6.173 -3.061
77 H GLU 32 H GLU 32 13.278 3.122 0.615
78 HA GLU 32 HA GLU 32 15.639 4.822 1.272
79 1HB GLU 32 2HB GLU 32 13.679 3.219 2.961
80 2HB GLU 32 1HB GLU 32 15.102 3.961 3.667
81 1HG GLU 32 2HG GLU 32 14.385 6.160 3.130
82 2HG GLU 32 1HG GLU 32 13.266 5.612 1.905
83 H ARG 33 H ARG 33 15.921 2.286 -0.351
84 HA ARG 33 HA ARG 33 17.660 0.739 1.516
85 1HB ARG 33 2HB ARG 33 17.781 -0.984 -0.207
86 2HB ARG 33 1HB ARG 33 16.125 -0.551 0.076
87 1HG ARG 33 2HG ARG 33 15.762 -0.071 -2.071
88 2HG ARG 33 1HG ARG 33 17.101 1.032 -2.200
89 1HD ARG 33 2HD ARG 33 18.587 -0.995 -2.514
90 2HD ARG 33 1HD ARG 33 17.204 -2.048 -2.393
91 HE ARG 33 HE ARG 33 17.755 -0.033 -4.539
92 1HH1 ARG 33 1HH2 ARG 33 15.903 -2.735 -3.424
93 2HH1 ARG 33 2HH2 ARG 33 15.233 -3.103 -4.960
94 1HH2 ARG 33 2HH1 ARG 33 16.856 -0.433 -6.549
95 2HH2 ARG 33 1HH1 ARG 33 15.762 -1.731 -6.782
96 H GLN 34 H GLN 34 17.810 2.675 -1.392
97 HA GLN 34 HA GLN 34 20.364 2.375 -2.339
98 1HB GLN 34 2HB GLN 34 18.706 3.957 -3.307
99 2HB GLN 34 1HB GLN 34 18.911 5.048 -1.949
100 1HG GLN 34 2HG GLN 34 20.234 5.757 -3.969
101 2HG GLN 34 1HG GLN 34 21.305 5.427 -2.619
102 1HE2 GLN 34 1HE2 GLN 34 22.800 3.672 -2.866
103 2HE2 GLN 34 2HE2 GLN 34 22.906 2.771 -4.308
104 H ARG 35 H ARG 35 19.653 4.042 0.628
105 HA ARG 35 HA ARG 35 22.547 4.494 1.077
106 1HB ARG 35 2HB ARG 35 21.051 6.561 0.858
107 2HB ARG 35 1HB ARG 35 20.156 6.008 2.258
108 1HG ARG 35 2HG ARG 35 22.198 6.250 3.685
109 2HG ARG 35 1HG ARG 35 23.114 6.744 2.274
110 1HD ARG 35 2HD ARG 35 21.670 8.753 1.996
111 2HD ARG 35 1HD ARG 35 20.657 8.201 3.327
112 HE ARG 35 HE ARG 35 23.576 8.762 3.709
113 1HH1 ARG 35 1HH2 ARG 35 20.285 9.437 4.630
114 2HH1 ARG 35 2HH2 ARG 35 20.722 10.390 5.983
115 1HH2 ARG 35 2HH1 ARG 35 24.171 9.976 5.460
116 2HH2 ARG 35 1HH1 ARG 35 22.989 10.705 6.455
117 H TYR 36 H TYR 36 21.265 2.034 1.493
118 HA TYR 36 HA TYR 36 21.305 1.824 4.492
119 1HB TYR 36 2HB TYR 36 19.117 1.324 2.908
120 2HB TYR 36 1HB TYR 36 19.869 -0.260 2.858
121 HD1 TYR 36 HD1 TYR 36 18.483 2.351 5.058
122 HD2 TYR 36 HD2 TYR 36 19.882 -1.661 4.872
123 HE1 TYR 36 HE1 TYR 36 17.592 1.936 7.303
124 HE2 TYR 36 HE2 TYR 36 18.988 -2.071 7.119
125 HH TYR 36 HH TYR 36 18.415 -0.705 9.164
126 1HT TYR 36 1HT TYR 36 23.743 1.685 3.270
127 2HT TYR 36 2HT TYR 36 24.270 0.069 3.190
Start of MODEL 7
1 HN AYA 24 H ALA 24 0.973 -3.444 1.244
2 HA AYA 24 HA ALA 24 3.267 -2.206 -0.114
3 1HB AYA 24 1HB ALA 24 1.528 -0.806 1.029
4 2HB AYA 24 2HB ALA 24 3.123 -0.537 1.717
5 3HB AYA 24 3HB ALA 24 1.968 -1.540 2.569
6 1HM AYA 24 1HA ALA 24 0.313 -5.347 -1.385
7 2HM AYA 24 2HA ALA 24 -0.090 -5.117 0.320
8 3HM AYA 24 3HA ALA 24 1.045 -6.382 -0.157
9 H ARG 25 H ARG 25 4.461 -4.147 0.037
10 HA ARG 25 HA ARG 25 5.788 -4.623 2.681
11 1HB ARG 25 2HB ARG 25 6.434 -6.843 1.709
12 2HB ARG 25 1HB ARG 25 4.710 -6.605 1.871
13 1HG ARG 25 2HG ARG 25 4.634 -5.947 -0.608
14 2HG ARG 25 1HG ARG 25 6.337 -6.360 -0.713
15 1HD ARG 25 2HD ARG 25 5.788 -8.709 -0.003
16 2HD ARG 25 1HD ARG 25 4.112 -8.250 0.098
17 HE ARG 25 HE ARG 25 4.011 -7.851 -2.264
18 1HH1 ARG 25 1HH2 ARG 25 6.952 -9.318 -1.204
19 2HH1 ARG 25 2HH2 ARG 25 7.363 -9.967 -2.730
20 1HH2 ARG 25 2HH1 ARG 25 4.501 -8.639 -4.289
21 2HH2 ARG 25 1HH1 ARG 25 5.921 -9.560 -4.554
22 H HIS 26 H HIS 26 6.672 -4.281 -0.771
23 HA HIS 26 HA HIS 26 9.424 -3.592 0.207
24 1HB HIS 26 2HB HIS 26 9.244 -5.847 -0.968
25 2HB HIS 26 1HB HIS 26 8.808 -4.977 -2.434
26 HD1 HIS 26 HD1 HIS 26 11.119 -6.198 -3.217
27 HD2 HIS 26 HD2 HIS 26 11.480 -3.014 -0.568
28 HE1 HIS 26 HE1 HIS 26 13.456 -5.364 -3.263
29 H TYR 27 H TYR 27 8.097 -1.396 0.095
30 HA TYR 27 HA TYR 27 8.783 -0.171 -2.574
31 1HB TYR 27 2HB TYR 27 6.201 -0.425 -1.969
32 2HB TYR 27 1HB TYR 27 6.479 0.894 -0.852
33 HD1 TYR 27 HD1 TYR 27 7.025 -0.098 -4.417
34 HD2 TYR 27 HD2 TYR 27 6.459 3.150 -1.703
35 HE1 TYR 27 HE1 TYR 27 6.902 1.461 -6.298
36 HE2 TYR 27 HE2 TYR 27 6.336 4.699 -3.606
37 HH TYR 27 HH TYR 27 5.823 3.778 -6.716
38 H LYS 28 H LYS 28 7.802 0.855 0.641
39 HA LYS 28 HA LYS 28 9.368 3.201 0.838
40 1HB LYS 28 2HB LYS 28 7.543 2.404 2.512
41 2HB LYS 28 1HB LYS 28 8.717 1.279 3.162
42 1HG LYS 28 2HG LYS 28 8.896 3.135 4.592
43 2HG LYS 28 1HG LYS 28 10.250 3.340 3.505
44 1HD LYS 28 2HD LYS 28 8.519 4.789 2.076
45 2HD LYS 28 1HD LYS 28 7.617 4.815 3.571
46 1HE LYS 28 2HE LYS 28 9.118 6.751 3.486
47 2HE LYS 28 1HE LYS 28 9.685 5.659 4.746
48 HZ LYS 28 HZ LYS 28 10.802 5.678 1.973
49 H ASN 29 H ASN 29 9.911 0.082 2.121
50 HA ASN 29 HA ASN 29 12.546 0.229 2.962
51 1HB ASN 29 2HB ASN 29 11.285 -2.311 1.774
52 2HB ASN 29 1HB ASN 29 12.447 -2.260 3.090
53 1HD2 ASN 29 1HD2 ASN 29 11.438 -2.474 5.184
54 2HD2 ASN 29 2HD2 ASN 29 9.808 -2.078 5.456
55 H LEU 30 H LEU 30 11.595 0.382 -0.041
56 HA LEU 30 HA LEU 30 14.143 -0.595 -1.210
57 1HB LEU 30 2HB LEU 30 12.516 -1.538 -2.551
58 2HB LEU 30 1HB LEU 30 11.300 -0.375 -2.134
59 HG LEU 30 HG LEU 30 12.336 1.251 -3.637
60 1HD1 LEU 30 1HD1 LEU 30 14.704 0.334 -3.666
61 2HD1 LEU 30 2HD1 LEU 30 14.076 0.433 -5.298
62 3HD1 LEU 30 3HD1 LEU 30 14.113 -1.114 -4.469
63 1HD2 LEU 30 1HD2 LEU 30 11.637 -1.429 -4.906
64 2HD2 LEU 30 2HD2 LEU 30 11.641 0.107 -5.763
65 3HD2 LEU 30 3HD2 LEU 30 10.515 -0.166 -4.440
66 H LEU 31 H LEU 31 11.933 2.235 -1.594
67 HA LEU 31 HA LEU 31 13.954 3.903 -2.774
68 1HB LEU 31 2HB LEU 31 11.622 4.751 -0.985
69 2HB LEU 31 1HB LEU 31 12.545 5.832 -2.006
70 HG LEU 31 HG LEU 31 10.794 3.507 -2.973
71 1HD1 LEU 31 1HD1 LEU 31 10.503 6.526 -3.315
72 2HD1 LEU 31 2HD1 LEU 31 9.532 5.522 -2.248
73 3HD1 LEU 31 3HD1 LEU 31 9.420 5.315 -3.987
74 1HD2 LEU 31 1HD2 LEU 31 11.313 4.329 -5.276
75 2HD2 LEU 31 2HD2 LEU 31 12.774 3.789 -4.486
76 3HD2 LEU 31 3HD2 LEU 31 12.433 5.507 -4.619
77 H GLU 32 H GLU 32 13.354 2.961 0.439
78 HA GLU 32 HA GLU 32 15.451 4.835 1.467
79 1HB GLU 32 2HB GLU 32 13.329 3.143 2.879
80 2HB GLU 32 1HB GLU 32 14.523 4.095 3.742
81 1HG GLU 32 2HG GLU 32 13.733 6.174 2.697
82 2HG GLU 32 1HG GLU 32 12.713 5.286 1.585
83 H ARG 33 H ARG 33 15.960 2.316 -0.094
84 HA ARG 33 HA ARG 33 17.544 0.822 1.970
85 1HB ARG 33 2HB ARG 33 17.820 -0.955 0.348
86 2HB ARG 33 1HB ARG 33 16.139 -0.562 0.408
87 1HG ARG 33 2HG ARG 33 16.068 -0.319 -1.809
88 2HG ARG 33 1HG ARG 33 17.215 0.975 -1.812
89 1HD ARG 33 2HD ARG 33 18.172 -0.813 -3.191
90 2HD ARG 33 1HD ARG 33 19.033 -0.824 -1.688
91 HE ARG 33 HE ARG 33 17.868 -2.755 -0.945
92 1HH1 ARG 33 1HH2 ARG 33 16.850 -1.702 -4.060
93 2HH1 ARG 33 2HH2 ARG 33 16.125 -3.185 -4.522
94 1HH2 ARG 33 2HH1 ARG 33 16.870 -4.738 -1.450
95 2HH2 ARG 33 1HH1 ARG 33 16.165 -4.965 -2.992
96 H GLN 34 H GLN 34 17.783 2.475 -1.089
97 HA GLN 34 HA GLN 34 20.240 2.444 -2.072
98 1HB GLN 34 2HB GLN 34 18.515 4.849 -1.358
99 2HB GLN 34 1HB GLN 34 20.058 5.095 -2.154
100 1HG GLN 34 2HG GLN 34 18.069 3.133 -3.347
101 2HG GLN 34 1HG GLN 34 17.878 4.856 -3.630
102 1HE2 GLN 34 1HE2 GLN 34 19.276 5.792 -5.196
103 2HE2 GLN 34 2HE2 GLN 34 20.557 4.947 -5.922
104 H ARG 35 H ARG 35 19.669 4.796 0.320
105 HA ARG 35 HA ARG 35 22.134 5.666 1.062
106 1HB ARG 35 2HB ARG 35 21.098 6.201 3.257
107 2HB ARG 35 1HB ARG 35 20.087 6.637 1.896
108 1HG ARG 35 2HG ARG 35 18.796 4.433 2.187
109 2HG ARG 35 1HG ARG 35 19.797 4.075 3.580
110 1HD ARG 35 2HD ARG 35 17.806 6.376 3.316
111 2HD ARG 35 1HD ARG 35 17.776 5.008 4.398
112 HE ARG 35 HE ARG 35 19.662 5.826 5.595
113 1HH1 ARG 35 1HH2 ARG 35 18.490 8.027 3.194
114 2HH1 ARG 35 2HH2 ARG 35 19.215 9.419 3.881
115 1HH2 ARG 35 2HH1 ARG 35 20.689 7.632 6.510
116 2HH2 ARG 35 1HH1 ARG 35 20.507 9.174 5.796
117 H TYR 36 H TYR 36 20.899 2.611 1.972
118 HA TYR 36 HA TYR 36 22.841 2.173 4.120
119 1HB TYR 36 2HB TYR 36 20.396 1.157 3.715
120 2HB TYR 36 1HB TYR 36 21.250 0.007 2.719
121 HD1 TYR 36 HD1 TYR 36 19.618 -0.719 5.056
122 HD2 TYR 36 HD2 TYR 36 23.789 0.144 4.844
123 HE1 TYR 36 HE1 TYR 36 20.006 -2.098 7.033
124 HE2 TYR 36 HE2 TYR 36 24.154 -1.232 6.828
125 HH TYR 36 HH TYR 36 21.944 -2.050 8.922
126 1HT TYR 36 1HT TYR 36 24.174 2.960 1.808
127 2HT TYR 36 2HT TYR 36 25.083 1.653 1.198
Start of MODEL 8
1 HN AYA 24 H ALA 24 1.023 -3.600 1.800
2 HA AYA 24 HA ALA 24 3.107 -2.145 0.318
3 1HB AYA 24 1HB ALA 24 2.452 -0.267 1.845
4 2HB AYA 24 2HB ALA 24 1.437 -1.354 2.764
5 3HB AYA 24 3HB ALA 24 1.020 -0.964 1.099
6 1HM AYA 24 1HA ALA 24 0.385 -5.585 1.134
7 2HM AYA 24 2HA ALA 24 1.768 -6.634 0.797
8 3HM AYA 24 3HA ALA 24 0.860 -5.918 -0.533
9 H ARG 25 H ARG 25 4.435 -4.124 1.130
10 HA ARG 25 HA ARG 25 5.757 -3.366 3.729
11 1HB ARG 25 2HB ARG 25 5.741 -6.087 2.311
12 2HB ARG 25 1HB ARG 25 6.563 -5.733 3.819
13 1HG ARG 25 2HG ARG 25 4.299 -5.117 4.822
14 2HG ARG 25 1HG ARG 25 3.545 -5.630 3.324
15 1HD ARG 25 2HD ARG 25 4.680 -7.910 3.644
16 2HD ARG 25 1HD ARG 25 5.225 -7.365 5.206
17 HE ARG 25 HE ARG 25 2.865 -7.072 5.901
18 1HH1 ARG 25 1HH2 ARG 25 3.528 -9.138 3.198
19 2HH1 ARG 25 2HH2 ARG 25 2.105 -10.059 3.366
20 1HH2 ARG 25 2HH1 ARG 25 0.990 -8.244 6.164
21 2HH2 ARG 25 1HH1 ARG 25 0.609 -9.538 5.112
22 H HIS 26 H HIS 26 7.067 -5.335 1.028
23 HA HIS 26 HA HIS 26 9.494 -3.612 1.189
24 1HB HIS 26 2HB HIS 26 8.952 -6.235 -0.294
25 2HB HIS 26 1HB HIS 26 10.473 -5.374 -0.349
26 HD1 HIS 26 HD1 HIS 26 11.158 -7.835 0.732
27 HD2 HIS 26 HD2 HIS 26 9.207 -5.105 3.193
28 HE1 HIS 26 HE1 HIS 26 11.518 -8.476 3.114
29 H TYR 27 H TYR 27 7.627 -2.165 0.363
30 HA TYR 27 HA TYR 27 7.950 -1.884 -2.620
31 1HB TYR 27 2HB TYR 27 5.559 -2.478 -1.697
32 2HB TYR 27 1HB TYR 27 5.528 -0.855 -1.037
33 HD1 TYR 27 HD1 TYR 27 6.165 1.085 -2.795
34 HD2 TYR 27 HD2 TYR 27 4.772 -2.803 -3.885
35 HE1 TYR 27 HE1 TYR 27 5.479 1.933 -4.973
36 HE2 TYR 27 HE2 TYR 27 4.089 -1.934 -6.058
37 HH TYR 27 HH TYR 27 5.124 0.540 -7.462
38 H LYS 28 H LYS 28 7.406 -0.184 0.401
39 HA LYS 28 HA LYS 28 8.242 2.389 -0.720
40 1HB LYS 28 2HB LYS 28 6.525 2.179 1.110
41 2HB LYS 28 1HB LYS 28 7.733 1.478 2.170
42 1HG LYS 28 2HG LYS 28 8.178 4.225 0.953
43 2HG LYS 28 1HG LYS 28 7.182 4.038 2.379
44 1HD LYS 28 2HD LYS 28 8.941 3.237 3.696
45 2HD LYS 28 1HD LYS 28 9.979 2.820 2.366
46 1HE LYS 28 2HE LYS 28 9.943 5.351 1.787
47 2HE LYS 28 1HE LYS 28 9.285 5.551 3.410
48 HZ LYS 28 HZ LYS 28 11.299 4.287 4.233
49 H ASN 29 H ASN 29 9.558 0.112 1.570
50 HA ASN 29 HA ASN 29 11.982 1.124 2.310
51 1HB ASN 29 2HB ASN 29 11.350 -1.797 1.736
52 2HB ASN 29 1HB ASN 29 12.644 -1.228 2.780
53 1HD2 ASN 29 1HD2 ASN 29 11.982 -1.553 4.932
54 2HD2 ASN 29 2HD2 ASN 29 10.403 -1.224 5.481
55 H LEU 30 H LEU 30 11.643 1.079 -0.705
56 HA LEU 30 HA LEU 30 14.282 0.091 -1.687
57 1HB LEU 30 2HB LEU 30 12.095 1.346 -3.384
58 2HB LEU 30 1HB LEU 30 13.281 0.148 -3.855
59 HG LEU 30 HG LEU 30 10.966 -0.272 -1.955
60 1HD1 LEU 30 1HD1 LEU 30 10.043 -1.685 -3.809
61 2HD1 LEU 30 2HD1 LEU 30 11.413 -1.235 -4.814
62 3HD1 LEU 30 3HD1 LEU 30 10.252 -0.016 -4.300
63 1HD2 LEU 30 1HD2 LEU 30 11.534 -2.716 -2.105
64 2HD2 LEU 30 2HD2 LEU 30 12.860 -1.816 -1.396
65 3HD2 LEU 30 3HD2 LEU 30 12.946 -2.331 -3.073
66 H LEU 31 H LEU 31 12.030 2.817 -1.658
67 HA LEU 31 HA LEU 31 13.770 4.840 -2.585
68 1HB LEU 31 2HB LEU 31 11.526 4.942 -0.503
69 2HB LEU 31 1HB LEU 31 12.262 6.381 -1.175
70 HG LEU 31 HG LEU 31 10.862 4.223 -2.852
71 1HD1 LEU 31 1HD1 LEU 31 9.000 5.892 -3.016
72 2HD1 LEU 31 2HD1 LEU 31 9.862 6.957 -1.915
73 3HD1 LEU 31 3HD1 LEU 31 9.268 5.404 -1.350
74 1HD2 LEU 31 1HD2 LEU 31 11.762 7.065 -3.579
75 2HD2 LEU 31 2HD2 LEU 31 10.931 5.939 -4.641
76 3HD2 LEU 31 3HD2 LEU 31 12.564 5.599 -4.117
77 H GLU 32 H GLU 32 13.508 3.183 0.358
78 HA GLU 32 HA GLU 32 15.540 4.940 1.693
79 1HB GLU 32 2HB GLU 32 13.559 2.854 2.677
80 2HB GLU 32 1HB GLU 32 14.946 3.169 3.682
81 1HG GLU 32 2HG GLU 32 13.323 4.680 4.543
82 2HG GLU 32 1HG GLU 32 14.203 5.723 3.442
83 H ARG 33 H ARG 33 16.275 3.162 -0.512
84 HA ARG 33 HA ARG 33 18.014 1.207 0.899
85 1HB ARG 33 2HB ARG 33 17.118 1.446 -1.984
86 2HB ARG 33 1HB ARG 33 18.357 0.321 -1.570
87 1HG ARG 33 2HG ARG 33 15.639 0.402 -0.340
88 2HG ARG 33 1HG ARG 33 16.122 -0.746 -1.577
89 1HD ARG 33 2HD ARG 33 17.135 -0.577 1.310
90 2HD ARG 33 1HD ARG 33 16.160 -1.805 0.577
91 HE ARG 33 HE ARG 33 18.990 -1.229 -0.316
92 1HH1 ARG 33 1HH2 ARG 33 16.524 -3.519 0.507
93 2HH1 ARG 33 2HH2 ARG 33 17.461 -4.888 0.127
94 1HH2 ARG 33 2HH1 ARG 33 20.264 -3.007 -0.816
95 2HH2 ARG 33 1HH1 ARG 33 19.642 -4.584 -0.613
96 H GLN 34 H GLN 34 18.452 4.309 -0.400
97 HA GLN 34 HA GLN 34 20.956 4.151 -1.676
98 1HB GLN 34 2HB GLN 34 20.037 6.265 0.367
99 2HB GLN 34 1HB GLN 34 21.513 6.401 -0.564
100 1HG GLN 34 2HG GLN 34 20.044 6.119 -2.690
101 2HG GLN 34 1HG GLN 34 18.663 6.432 -1.644
102 1HE2 GLN 34 1HE2 GLN 34 18.133 8.678 -1.612
103 2HE2 GLN 34 2HE2 GLN 34 19.303 9.897 -1.820
104 H ARG 35 H ARG 35 20.212 3.836 1.669
105 HA ARG 35 HA ARG 35 22.677 3.908 2.970
106 1HB ARG 35 2HB ARG 35 21.607 2.376 4.640
107 2HB ARG 35 1HB ARG 35 20.516 3.659 4.151
108 1HG ARG 35 2HG ARG 35 19.646 1.920 2.352
109 2HG ARG 35 1HG ARG 35 20.484 0.731 3.315
110 1HD ARG 35 2HD ARG 35 18.337 2.620 4.329
111 2HD ARG 35 1HD ARG 35 17.991 0.988 3.902
112 HE ARG 35 HE ARG 35 19.437 1.970 6.284
113 1HH1 ARG 35 1HH2 ARG 35 18.557 -0.702 4.333
114 2HH1 ARG 35 2HH2 ARG 35 18.698 -1.901 5.552
115 1HH2 ARG 35 2HH1 ARG 35 19.653 0.481 7.975
116 2HH2 ARG 35 1HH1 ARG 35 19.416 -1.188 7.717
117 H TYR 36 H TYR 36 21.572 1.592 0.772
118 HA TYR 36 HA TYR 36 23.980 -0.146 1.112
119 1HB TYR 36 2HB TYR 36 21.069 -0.808 0.765
120 2HB TYR 36 1HB TYR 36 22.151 -1.714 -0.275
121 HD1 TYR 36 HD1 TYR 36 22.235 -0.625 3.341
122 HD2 TYR 36 HD2 TYR 36 22.709 -3.809 0.540
123 HE1 TYR 36 HE1 TYR 36 22.765 -2.178 5.167
124 HE2 TYR 36 HE2 TYR 36 23.228 -5.337 2.364
125 HH TYR 36 HH TYR 36 24.087 -5.233 4.683
126 1HT TYR 36 1HT TYR 36 23.914 2.269 -0.458
127 2HT TYR 36 2HT TYR 36 24.030 1.811 -2.091
Start of MODEL 9
1 HN AYA 24 H ALA 24 -0.179 -1.696 0.594
2 HA AYA 24 HA ALA 24 2.417 -0.355 0.308
3 1HB AYA 24 1HB ALA 24 1.823 0.639 2.511
4 2HB AYA 24 2HB ALA 24 0.434 -0.418 2.633
5 3HB AYA 24 3HB ALA 24 0.484 0.826 1.389
6 1HM AYA 24 1HA ALA 24 -1.068 -2.798 -1.019
7 2HM AYA 24 2HA ALA 24 0.073 -3.935 -1.735
8 3HM AYA 24 3HA ALA 24 -0.344 -2.444 -2.585
9 H ARG 25 H ARG 25 3.055 -2.740 0.072
10 HA ARG 25 HA ARG 25 4.225 -3.677 2.657
11 1HB ARG 25 2HB ARG 25 4.133 -6.027 1.402
12 2HB ARG 25 1HB ARG 25 2.673 -5.404 2.128
13 1HG ARG 25 2HG ARG 25 2.092 -6.222 -0.043
14 2HG ARG 25 1HG ARG 25 1.956 -4.493 -0.097
15 1HD ARG 25 2HD ARG 25 4.554 -4.805 -1.043
16 2HD ARG 25 1HD ARG 25 3.871 -6.308 -1.549
17 HE ARG 25 HE ARG 25 2.937 -3.557 -2.259
18 1HH1 ARG 25 1HH2 ARG 25 2.734 -6.986 -2.780
19 2HH1 ARG 25 2HH2 ARG 25 1.919 -6.859 -4.270
20 1HH2 ARG 25 2HH1 ARG 25 1.860 -3.336 -4.169
21 2HH2 ARG 25 1HH1 ARG 25 1.341 -4.702 -5.075
22 H HIS 26 H HIS 26 6.211 -5.030 2.112
23 HA HIS 26 HA HIS 26 8.461 -4.101 1.544
24 1HB HIS 26 2HB HIS 26 7.445 -6.341 -0.220
25 2HB HIS 26 1HB HIS 26 9.141 -5.990 0.021
26 HD1 HIS 26 HD1 HIS 26 8.242 -8.656 0.879
27 HD2 HIS 26 HD2 HIS 26 8.097 -5.379 3.432
28 HE1 HIS 26 HE1 HIS 26 8.229 -9.461 3.245
29 H TYR 27 H TYR 27 7.674 -1.996 0.565
30 HA TYR 27 HA TYR 27 8.618 -1.863 -2.279
31 1HB TYR 27 2HB TYR 27 6.043 -1.477 -1.810
32 2HB TYR 27 1HB TYR 27 6.520 0.049 -1.109
33 HD1 TYR 27 HD1 TYR 27 8.060 1.601 -2.662
34 HD2 TYR 27 HD2 TYR 27 5.664 -1.619 -4.107
35 HE1 TYR 27 HE1 TYR 27 8.099 2.565 -4.911
36 HE2 TYR 27 HE2 TYR 27 5.718 -0.639 -6.346
37 HH TYR 27 HH TYR 27 7.766 1.942 -7.224
38 H LYS 28 H LYS 28 7.878 0.142 0.508
39 HA LYS 28 HA LYS 28 9.561 2.289 0.238
40 1HB LYS 28 2HB LYS 28 8.028 1.303 2.341
41 2HB LYS 28 1HB LYS 28 9.633 1.080 2.990
42 1HG LYS 28 2HG LYS 28 10.085 3.558 2.331
43 2HG LYS 28 1HG LYS 28 8.375 3.667 1.997
44 1HD LYS 28 2HD LYS 28 8.747 4.492 4.230
45 2HD LYS 28 1HD LYS 28 7.853 2.984 4.322
46 1HE LYS 28 2HE LYS 28 9.805 3.222 5.943
47 2HE LYS 28 1HE LYS 28 9.859 1.748 4.988
48 HZ LYS 28 HZ LYS 28 11.430 4.235 4.390
49 H ASN 29 H ASN 29 10.449 -0.887 1.229
50 HA ASN 29 HA ASN 29 12.987 -0.778 2.159
51 1HB ASN 29 2HB ASN 29 11.750 -2.728 0.191
52 2HB ASN 29 1HB ASN 29 13.438 -2.928 0.634
53 1HD2 ASN 29 1HD2 ASN 29 10.562 -4.239 1.495
54 2HD2 ASN 29 2HD2 ASN 29 10.853 -4.440 3.159
55 H LEU 30 H LEU 30 12.161 -0.352 -0.875
56 HA LEU 30 HA LEU 30 14.736 -0.118 -2.346
57 1HB LEU 30 2HB LEU 30 12.032 0.992 -3.220
58 2HB LEU 30 1HB LEU 30 13.361 0.509 -4.246
59 HG LEU 30 HG LEU 30 11.911 -1.387 -2.384
60 1HD1 LEU 30 1HD1 LEU 30 10.692 -2.193 -4.440
61 2HD1 LEU 30 2HD1 LEU 30 11.456 -0.918 -5.376
62 3HD1 LEU 30 3HD1 LEU 30 10.334 -0.515 -4.084
63 1HD2 LEU 30 1HD2 LEU 30 13.733 -1.920 -4.780
64 2HD2 LEU 30 2HD2 LEU 30 12.922 -3.163 -3.848
65 3HD2 LEU 30 3HD2 LEU 30 14.161 -2.177 -3.095
66 H LEU 31 H LEU 31 12.209 2.167 -1.448
67 HA LEU 31 HA LEU 31 13.709 4.539 -2.004
68 1HB LEU 31 2HB LEU 31 11.579 4.092 0.178
69 2HB LEU 31 1HB LEU 31 12.105 5.657 -0.397
70 HG LEU 31 HG LEU 31 10.721 3.567 -2.175
71 1HD1 LEU 31 1HD1 LEU 31 9.629 6.113 -0.890
72 2HD1 LEU 31 2HD1 LEU 31 9.177 4.483 -0.417
73 3HD1 LEU 31 3HD1 LEU 31 8.742 5.084 -2.005
74 1HD2 LEU 31 1HD2 LEU 31 12.204 5.174 -3.423
75 2HD2 LEU 31 2HD2 LEU 31 11.371 6.517 -2.662
76 3HD2 LEU 31 3HD2 LEU 31 10.513 5.460 -3.765
77 H GLU 32 H GLU 32 13.776 2.166 0.416
78 HA GLU 32 HA GLU 32 15.622 3.767 2.146
79 1HB GLU 32 2HB GLU 32 14.043 1.191 2.589
80 2HB GLU 32 1HB GLU 32 15.111 1.881 3.797
81 1HG GLU 32 2HG GLU 32 13.723 3.775 4.159
82 2HG GLU 32 1HG GLU 32 13.066 3.757 2.542
83 H ARG 33 H ARG 33 16.453 2.747 -0.371
84 HA ARG 33 HA ARG 33 18.560 0.750 0.359
85 1HB ARG 33 2HB ARG 33 17.464 1.712 -2.350
86 2HB ARG 33 1HB ARG 33 18.804 0.623 -2.283
87 1HG ARG 33 2HG ARG 33 16.159 0.048 -1.174
88 2HG ARG 33 1HG ARG 33 16.748 -0.563 -2.715
89 1HD ARG 33 2HD ARG 33 17.009 -2.385 -1.149
90 2HD ARG 33 1HD ARG 33 18.621 -1.661 -1.260
91 HE ARG 33 HE ARG 33 16.702 -0.643 0.777
92 1HH1 ARG 33 1HH2 ARG 33 19.578 -2.490 0.117
93 2HH1 ARG 33 2HH2 ARG 33 20.148 -2.440 1.728
94 1HH2 ARG 33 2HH1 ARG 33 17.403 -0.509 2.814
95 2HH2 ARG 33 1HH1 ARG 33 18.792 -1.339 3.382
96 H GLN 34 H GLN 34 18.224 3.723 -1.465
97 HA GLN 34 HA GLN 34 20.721 4.544 -2.028
98 1HB GLN 34 2HB GLN 34 18.405 6.136 -0.836
99 2HB GLN 34 1HB GLN 34 19.891 6.936 -1.297
100 1HG GLN 34 2HG GLN 34 19.652 6.216 -3.627
101 2HG GLN 34 1HG GLN 34 18.298 5.175 -3.235
102 1HE2 GLN 34 1HE2 GLN 34 19.041 8.301 -4.373
103 2HE2 GLN 34 2HE2 GLN 34 17.526 8.997 -4.044
104 H ARG 35 H ARG 35 19.426 5.340 1.193
105 HA ARG 35 HA ARG 35 22.230 5.731 2.065
106 1HB ARG 35 2HB ARG 35 20.399 7.450 2.673
107 2HB ARG 35 1HB ARG 35 19.724 6.226 3.746
108 1HG ARG 35 2HG ARG 35 22.197 6.068 4.727
109 2HG ARG 35 1HG ARG 35 22.454 7.576 3.886
110 1HD ARG 35 2HD ARG 35 20.775 8.702 5.192
111 2HD ARG 35 1HD ARG 35 20.209 7.226 5.934
112 HE ARG 35 HE ARG 35 22.835 8.585 6.379
113 1HH1 ARG 35 1HH2 ARG 35 20.646 6.072 7.261
114 2HH1 ARG 35 2HH2 ARG 35 21.394 5.720 8.759
115 1HH2 ARG 35 2HH1 ARG 35 23.890 8.154 8.321
116 2HH2 ARG 35 1HH1 ARG 35 23.305 6.923 9.354
117 H TYR 36 H TYR 36 21.773 3.216 1.484
118 HA TYR 36 HA TYR 36 21.968 1.872 4.124
119 1HB TYR 36 2HB TYR 36 19.634 1.666 2.493
120 2HB TYR 36 1HB TYR 36 20.533 0.203 2.136
121 HD1 TYR 36 HD1 TYR 36 18.255 1.690 4.400
122 HD2 TYR 36 HD2 TYR 36 21.536 -1.030 4.288
123 HE1 TYR 36 HE1 TYR 36 17.534 0.724 6.533
124 HE2 TYR 36 HE2 TYR 36 20.804 -1.987 6.423
125 HH TYR 36 HH TYR 36 18.956 -0.606 8.514
126 1HT TYR 36 1HT TYR 36 22.048 1.302 0.587
127 2HT TYR 36 2HT TYR 36 23.553 0.500 0.614
Start of MODEL 10
1 HN AYA 24 H ALA 24 2.238 -1.476 3.554
2 HA AYA 24 HA ALA 24 4.112 -1.085 1.317
3 1HB AYA 24 1HB ALA 24 3.308 0.903 2.640
4 2HB AYA 24 2HB ALA 24 5.053 0.728 2.770
5 3HB AYA 24 3HB ALA 24 4.024 0.213 4.092
6 1HM AYA 24 1HA ALA 24 1.096 -4.415 2.740
7 2HM AYA 24 2HA ALA 24 0.240 -3.331 1.644
8 3HM AYA 24 3HA ALA 24 0.521 -2.847 3.317
9 H ARG 25 H ARG 25 4.630 -3.368 1.600
10 HA ARG 25 HA ARG 25 6.591 -3.947 3.775
11 1HB ARG 25 2HB ARG 25 4.771 -5.597 3.335
12 2HB ARG 25 1HB ARG 25 5.314 -5.786 1.682
13 1HG ARG 25 2HG ARG 25 7.670 -6.338 2.932
14 2HG ARG 25 1HG ARG 25 6.592 -6.708 4.252
15 1HD ARG 25 2HD ARG 25 5.367 -8.373 2.836
16 2HD ARG 25 1HD ARG 25 6.349 -7.892 1.476
17 HE ARG 25 HE ARG 25 8.278 -8.824 2.405
18 1HH1 ARG 25 1HH2 ARG 25 5.516 -9.243 4.391
19 2HH1 ARG 25 2HH2 ARG 25 6.146 -10.526 5.335
20 1HH2 ARG 25 2HH1 ARG 25 9.229 -10.452 3.590
21 2HH2 ARG 25 1HH1 ARG 25 8.387 -11.244 4.855
22 H HIS 26 H HIS 26 6.506 -4.769 0.283
23 HA HIS 26 HA HIS 26 9.439 -4.100 0.237
24 1HB HIS 26 2HB HIS 26 7.876 -6.177 -1.347
25 2HB HIS 26 1HB HIS 26 9.518 -5.703 -1.729
26 HD1 HIS 26 HD1 HIS 26 9.389 -8.474 -1.140
27 HD2 HIS 26 HD2 HIS 26 9.634 -5.732 1.974
28 HE1 HIS 26 HE1 HIS 26 10.266 -9.630 0.890
29 H TYR 27 H TYR 27 7.498 -2.153 -0.113
30 HA TYR 27 HA TYR 27 7.961 -1.436 -2.998
31 1HB TYR 27 2HB TYR 27 5.405 -1.857 -2.069
32 2HB TYR 27 1HB TYR 27 5.584 -0.171 -1.599
33 HD1 TYR 27 HD1 TYR 27 6.288 -2.459 -4.462
34 HD2 TYR 27 HD2 TYR 27 5.197 1.503 -3.319
35 HE1 TYR 27 HE1 TYR 27 6.029 -1.854 -6.810
36 HE2 TYR 27 HE2 TYR 27 4.941 2.093 -5.688
37 HH TYR 27 HH TYR 27 4.653 -0.079 -8.109
38 H LYS 28 H LYS 28 7.398 -0.174 0.240
39 HA LYS 28 HA LYS 28 8.441 2.467 -0.406
40 1HB LYS 28 2HB LYS 28 6.854 2.079 1.524
41 2HB LYS 28 1HB LYS 28 8.038 1.057 2.315
42 1HG LYS 28 2HG LYS 28 8.732 3.932 1.610
43 2HG LYS 28 1HG LYS 28 7.825 3.559 3.060
44 1HD LYS 28 2HD LYS 28 9.580 2.255 3.978
45 2HD LYS 28 1HD LYS 28 10.494 2.167 2.505
46 1HE LYS 28 2HE LYS 28 10.713 4.752 2.673
47 2HE LYS 28 1HE LYS 28 10.150 4.534 4.336
48 HZ LYS 28 HZ LYS 28 11.990 2.837 4.589
49 H ASN 29 H ASN 29 9.637 -0.369 1.264
50 HA ASN 29 HA ASN 29 12.182 0.299 1.956
51 1HB ASN 29 2HB ASN 29 10.814 -2.291 1.244
52 2HB ASN 29 1HB ASN 29 12.562 -2.353 1.444
53 1HD2 ASN 29 1HD2 ASN 29 13.208 -2.660 3.573
54 2HD2 ASN 29 2HD2 ASN 29 12.285 -2.197 4.924
55 H LEU 30 H LEU 30 11.642 0.856 -0.987
56 HA LEU 30 HA LEU 30 14.218 -0.053 -2.253
57 1HB LEU 30 2HB LEU 30 12.008 1.579 -3.583
58 2HB LEU 30 1HB LEU 30 13.131 0.459 -4.330
59 HG LEU 30 HG LEU 30 10.915 -0.304 -2.392
60 1HD1 LEU 30 1HD1 LEU 30 11.112 -0.661 -5.407
61 2HD1 LEU 30 2HD1 LEU 30 10.044 0.446 -4.549
62 3HD1 LEU 30 3HD1 LEU 30 9.811 -1.285 -4.399
63 1HD2 LEU 30 1HD2 LEU 30 11.389 -2.664 -3.062
64 2HD2 LEU 30 2HD2 LEU 30 12.801 -1.937 -2.318
65 3HD2 LEU 30 3HD2 LEU 30 12.726 -2.118 -4.064
66 H LEU 31 H LEU 31 12.107 2.639 -1.368
67 HA LEU 31 HA LEU 31 13.865 4.787 -1.998
68 1HB LEU 31 2HB LEU 31 11.854 4.561 0.320
69 2HB LEU 31 1HB LEU 31 12.548 6.057 -0.257
70 HG LEU 31 HG LEU 31 10.775 4.196 -1.924
71 1HD1 LEU 31 1HD1 LEU 31 9.072 6.006 -1.679
72 2HD1 LEU 31 2HD1 LEU 31 10.160 6.894 -0.629
73 3HD1 LEU 31 3HD1 LEU 31 9.521 5.343 -0.119
74 1HD2 LEU 31 1HD2 LEU 31 11.851 6.995 -2.533
75 2HD2 LEU 31 2HD2 LEU 31 10.741 6.089 -3.540
76 3HD2 LEU 31 3HD2 LEU 31 12.373 5.518 -3.335
77 H GLU 32 H GLU 32 13.853 2.412 0.397
78 HA GLU 32 HA GLU 32 15.987 3.791 1.995
79 1HB GLU 32 2HB GLU 32 14.015 1.581 2.561
80 2HB GLU 32 1HB GLU 32 15.508 1.486 3.448
81 1HG GLU 32 2HG GLU 32 14.005 2.758 4.849
82 2HG GLU 32 1HG GLU 32 15.040 3.983 4.135
83 H ARG 33 H ARG 33 16.446 2.494 -0.679
84 HA ARG 33 HA ARG 33 18.385 0.382 0.168
85 1HB ARG 33 2HB ARG 33 17.149 1.137 -2.509
86 2HB ARG 33 1HB ARG 33 18.314 -0.132 -2.390
87 1HG ARG 33 2HG ARG 33 15.663 0.012 -0.977
88 2HG ARG 33 1HG ARG 33 16.017 -1.078 -2.298
89 1HD ARG 33 2HD ARG 33 17.203 -1.181 0.565
90 2HD ARG 33 1HD ARG 33 15.968 -2.178 -0.166
91 HE ARG 33 HE ARG 33 18.633 -2.155 -1.495
92 1HH1 ARG 33 1HH2 ARG 33 16.376 -3.742 0.565
93 2HH1 ARG 33 2HH2 ARG 33 17.047 -5.313 0.358
94 1HH2 ARG 33 2HH1 ARG 33 19.598 -4.162 -1.763
95 2HH2 ARG 33 1HH1 ARG 33 18.967 -5.549 -0.991
96 H GLN 34 H GLN 34 18.482 3.463 -0.166
97 HA GLN 34 HA GLN 34 21.231 3.666 -1.369
98 1HB GLN 34 2HB GLN 34 18.965 5.640 -1.014
99 2HB GLN 34 1HB GLN 34 20.523 6.257 -0.524
100 1HG GLN 34 2HG GLN 34 21.420 5.561 -2.820
101 2HG GLN 34 1HG GLN 34 19.749 5.301 -3.303
102 1HE2 GLN 34 1HE2 GLN 34 18.703 7.194 -4.071
103 2HE2 GLN 34 2HE2 GLN 34 19.236 8.763 -3.693
104 H ARG 35 H ARG 35 19.431 5.151 1.288
105 HA ARG 35 HA ARG 35 21.773 4.903 3.057
106 1HB ARG 35 2HB ARG 35 19.108 6.388 3.385
107 2HB ARG 35 1HB ARG 35 20.391 6.391 4.574
108 1HG ARG 35 2HG ARG 35 21.949 7.472 2.988
109 2HG ARG 35 1HG ARG 35 20.770 7.367 1.703
110 1HD ARG 35 2HD ARG 35 20.877 9.631 2.724
111 2HD ARG 35 1HD ARG 35 19.276 8.967 2.833
112 HE ARG 35 HE ARG 35 21.292 9.195 5.053
113 1HH1 ARG 35 1HH2 ARG 35 18.041 8.543 4.059
114 2HH1 ARG 35 2HH2 ARG 35 17.382 8.676 5.635
115 1HH2 ARG 35 2HH1 ARG 35 20.494 9.326 7.122
116 2HH2 ARG 35 1HH1 ARG 35 18.828 9.082 7.432
117 H TYR 36 H TYR 36 21.257 2.691 2.653
118 HA TYR 36 HA TYR 36 19.719 0.754 3.100
119 1HB TYR 36 2HB TYR 36 22.151 1.273 4.825
120 2HB TYR 36 1HB TYR 36 21.225 -0.185 5.098
121 HD1 TYR 36 HD1 TYR 36 22.838 1.748 2.265
122 HD2 TYR 36 HD2 TYR 36 21.577 -2.047 3.757
123 HE1 TYR 36 HE1 TYR 36 23.837 0.659 0.341
124 HE2 TYR 36 HE2 TYR 36 22.602 -3.131 1.817
125 HH TYR 36 HH TYR 36 24.799 -1.741 -0.111
126 1HT TYR 36 1HT TYR 36 17.629 1.618 3.834
127 2HT TYR 36 2HT TYR 36 17.253 1.510 5.501
Start of MODEL 11
1 HN AYA 24 H ALA 24 1.740 -3.155 -1.969
2 HA AYA 24 HA ALA 24 4.212 -1.627 -1.610
3 1HB AYA 24 1HB ALA 24 2.081 -0.491 -2.291
4 2HB AYA 24 2HB ALA 24 2.675 0.141 -0.763
5 3HB AYA 24 3HB ALA 24 1.341 -0.995 -0.773
6 1HM AYA 24 1HA ALA 24 3.020 -6.144 -2.331
7 2HM AYA 24 2HA ALA 24 3.251 -5.358 -3.894
8 3HM AYA 24 3HA ALA 24 1.765 -5.089 -2.982
9 H ARG 25 H ARG 25 4.856 -3.541 -0.307
10 HA ARG 25 HA ARG 25 4.344 -3.067 2.616
11 1HB ARG 25 2HB ARG 25 3.539 -5.344 1.602
12 2HB ARG 25 1HB ARG 25 5.224 -5.753 1.411
13 1HG ARG 25 2HG ARG 25 3.709 -5.234 3.997
14 2HG ARG 25 1HG ARG 25 4.469 -6.727 3.495
15 1HD ARG 25 2HD ARG 25 6.713 -5.485 3.621
16 2HD ARG 25 1HD ARG 25 5.869 -4.189 4.461
17 HE ARG 25 HE ARG 25 5.028 -6.003 6.039
18 1HH1 ARG 25 1HH2 ARG 25 8.121 -6.137 4.494
19 2HH1 ARG 25 2HH2 ARG 25 8.829 -7.170 5.655
20 1HH2 ARG 25 2HH1 ARG 25 5.919 -7.317 7.631
21 2HH2 ARG 25 1HH1 ARG 25 7.545 -7.824 7.516
22 H HIS 26 H HIS 26 6.599 -4.318 0.183
23 HA HIS 26 HA HIS 26 8.881 -3.788 1.934
24 1HB HIS 26 2HB HIS 26 10.232 -4.528 -0.129
25 2HB HIS 26 1HB HIS 26 9.114 -5.740 0.457
26 HD1 HIS 26 HD1 HIS 26 6.991 -6.172 -1.046
27 HD2 HIS 26 HD2 HIS 26 9.698 -3.390 -2.556
28 HE1 HIS 26 HE1 HIS 26 6.436 -5.698 -3.427
29 H TYR 27 H TYR 27 7.557 -2.524 -0.906
30 HA TYR 27 HA TYR 27 8.961 -0.666 -2.100
31 1HB TYR 27 2HB TYR 27 6.234 -0.310 -0.868
32 2HB TYR 27 1HB TYR 27 6.993 1.098 -1.568
33 HD1 TYR 27 HD1 TYR 27 6.403 -2.545 -2.521
34 HD2 TYR 27 HD2 TYR 27 6.630 1.517 -3.791
35 HE1 TYR 27 HE1 TYR 27 5.767 -3.205 -4.771
36 HE2 TYR 27 HE2 TYR 27 5.991 0.845 -6.037
37 HH TYR 27 HH TYR 27 5.803 -0.988 -7.451
38 H LYS 28 H LYS 28 7.735 0.290 1.044
39 HA LYS 28 HA LYS 28 9.028 2.749 1.404
40 1HB LYS 28 2HB LYS 28 7.289 1.296 2.865
41 2HB LYS 28 1HB LYS 28 8.727 0.767 3.698
42 1HG LYS 28 2HG LYS 28 7.787 3.645 3.444
43 2HG LYS 28 1HG LYS 28 7.630 2.640 4.863
44 1HD LYS 28 2HD LYS 28 9.595 3.404 5.549
45 2HD LYS 28 1HD LYS 28 10.368 2.467 4.299
46 1HE LYS 28 2HE LYS 28 9.841 4.549 2.756
47 2HE LYS 28 1HE LYS 28 9.551 5.400 4.275
48 HZ LYS 28 HZ LYS 28 11.858 4.493 4.939
49 H ASN 29 H ASN 29 10.154 -0.388 2.402
50 HA ASN 29 HA ASN 29 12.776 0.453 3.163
51 1HB ASN 29 2HB ASN 29 11.369 -1.601 4.043
52 2HB ASN 29 1HB ASN 29 11.821 -2.388 2.551
53 1HD2 ASN 29 1HD2 ASN 29 14.703 -0.919 3.130
54 2HD2 ASN 29 2HD2 ASN 29 15.362 -2.046 4.212
55 H LEU 30 H LEU 30 11.600 0.278 0.286
56 HA LEU 30 HA LEU 30 14.103 -0.674 -1.060
57 1HB LEU 30 2HB LEU 30 12.398 -1.717 -2.239
58 2HB LEU 30 1HB LEU 30 11.177 -0.580 -1.772
59 HG LEU 30 HG LEU 30 12.101 1.048 -3.372
60 1HD1 LEU 30 1HD1 LEU 30 14.467 0.158 -3.512
61 2HD1 LEU 30 2HD1 LEU 30 13.755 0.209 -5.114
62 3HD1 LEU 30 3HD1 LEU 30 13.859 -1.317 -4.254
63 1HD2 LEU 30 1HD2 LEU 30 11.407 -1.669 -4.557
64 2HD2 LEU 30 2HD2 LEU 30 11.345 -0.150 -5.442
65 3HD2 LEU 30 3HD2 LEU 30 10.272 -0.412 -4.075
66 H LEU 31 H LEU 31 11.695 1.920 -1.021
67 HA LEU 31 HA LEU 31 13.070 3.944 -2.414
68 1HB LEU 31 2HB LEU 31 11.345 4.204 0.086
69 2HB LEU 31 1HB LEU 31 11.733 5.559 -0.947
70 HG LEU 31 HG LEU 31 10.050 3.098 -1.689
71 1HD1 LEU 31 1HD1 LEU 31 8.968 4.714 -0.120
72 2HD1 LEU 31 2HD1 LEU 31 8.182 4.757 -1.688
73 3HD1 LEU 31 3HD1 LEU 31 9.308 6.024 -1.231
74 1HD2 LEU 31 1HD2 LEU 31 11.267 4.008 -3.692
75 2HD2 LEU 31 2HD2 LEU 31 10.626 5.604 -3.334
76 3HD2 LEU 31 3HD2 LEU 31 9.547 4.299 -3.785
77 H GLU 32 H GLU 32 13.295 2.901 0.871
78 HA GLU 32 HA GLU 32 15.519 4.774 1.477
79 1HB GLU 32 2HB GLU 32 13.794 2.893 3.128
80 2HB GLU 32 1HB GLU 32 15.282 3.463 3.830
81 1HG GLU 32 2HG GLU 32 13.830 5.142 4.585
82 2HG GLU 32 1HG GLU 32 14.262 5.869 3.046
83 H ARG 33 H ARG 33 15.964 2.482 -0.420
84 HA ARG 33 HA ARG 33 17.951 0.910 1.192
85 1HB ARG 33 2HB ARG 33 17.718 -0.819 -0.322
86 2HB ARG 33 1HB ARG 33 16.158 -0.088 -0.474
87 1HG ARG 33 2HG ARG 33 16.716 -0.530 -2.696
88 2HG ARG 33 1HG ARG 33 17.093 1.164 -2.561
89 1HD ARG 33 2HD ARG 33 19.561 0.630 -2.392
90 2HD ARG 33 1HD ARG 33 19.158 -1.057 -2.112
91 HE ARG 33 HE ARG 33 18.453 0.342 -4.656
92 1HH1 ARG 33 1HH2 ARG 33 20.084 -2.307 -3.057
93 2HH1 ARG 33 2HH2 ARG 33 20.323 -3.200 -4.492
94 1HH2 ARG 33 2HH1 ARG 33 18.867 -0.787 -6.555
95 2HH2 ARG 33 1HH1 ARG 33 19.651 -2.308 -6.520
96 H GLN 34 H GLN 34 17.656 3.209 -1.331
97 HA GLN 34 HA GLN 34 20.010 3.272 -2.723
98 1HB GLN 34 2HB GLN 34 18.093 4.874 -2.978
99 2HB GLN 34 1HB GLN 34 18.600 5.715 -1.530
100 1HG GLN 34 2HG GLN 34 20.673 6.402 -2.557
101 2HG GLN 34 1HG GLN 34 20.367 5.452 -4.011
102 1HE2 GLN 34 1HE2 GLN 34 19.894 7.070 -5.625
103 2HE2 GLN 34 2HE2 GLN 34 18.794 8.338 -5.355
104 H ARG 35 H ARG 35 19.848 4.105 0.663
105 HA ARG 35 HA ARG 35 22.768 4.578 0.699
106 1HB ARG 35 2HB ARG 35 20.606 5.896 2.425
107 2HB ARG 35 1HB ARG 35 22.319 6.171 2.626
108 1HG ARG 35 2HG ARG 35 20.752 6.810 0.071
109 2HG ARG 35 1HG ARG 35 21.157 7.978 1.308
110 1HD ARG 35 2HD ARG 35 23.503 7.760 0.915
111 2HD ARG 35 1HD ARG 35 23.354 6.356 -0.095
112 HE ARG 35 HE ARG 35 22.543 9.146 -0.783
113 1HH1 ARG 35 1HH2 ARG 35 23.020 5.831 -1.776
114 2HH1 ARG 35 2HH2 ARG 35 23.112 6.199 -3.430
115 1HH2 ARG 35 2HH1 ARG 35 22.507 9.632 -2.958
116 2HH2 ARG 35 1HH1 ARG 35 22.717 8.403 -4.131
117 H TYR 36 H TYR 36 21.385 2.160 0.978
118 HA TYR 36 HA TYR 36 21.918 1.391 3.829
119 1HB TYR 36 2HB TYR 36 19.542 1.084 2.777
120 2HB TYR 36 1HB TYR 36 20.272 -0.124 1.733
121 HD1 TYR 36 HD1 TYR 36 21.535 -2.125 2.962
122 HD2 TYR 36 HD2 TYR 36 18.725 0.442 4.887
123 HE1 TYR 36 HE1 TYR 36 21.216 -3.784 4.713
124 HE2 TYR 36 HE2 TYR 36 18.415 -1.244 6.641
125 HH TYR 36 HH TYR 36 20.446 -3.941 7.025
126 1HT TYR 36 1HT TYR 36 24.255 1.473 3.016
127 2HT TYR 36 2HT TYR 36 24.837 0.118 2.167
Start of MODEL 12
1 HN AYA 24 H ALA 24 2.870 -0.983 3.133
2 HA AYA 24 HA ALA 24 3.547 -1.610 0.358
3 1HB AYA 24 1HB ALA 24 3.545 0.717 1.218
4 2HB AYA 24 2HB ALA 24 5.153 0.290 0.673
5 3HB AYA 24 3HB ALA 24 4.793 0.293 2.381
6 1HM AYA 24 1HA ALA 24 1.221 -1.947 4.175
7 2HM AYA 24 2HA ALA 24 1.118 -3.685 3.899
8 3HM AYA 24 3HA ALA 24 0.068 -2.587 3.007
9 H ARG 25 H ARG 25 3.969 -3.746 2.032
10 HA ARG 25 HA ARG 25 6.141 -4.617 3.194
11 1HB ARG 25 2HB ARG 25 4.180 -5.919 1.991
12 2HB ARG 25 1HB ARG 25 5.372 -6.238 0.753
13 1HG ARG 25 2HG ARG 25 6.937 -7.141 2.577
14 2HG ARG 25 1HG ARG 25 5.646 -6.893 3.734
15 1HD ARG 25 2HD ARG 25 5.565 -9.185 3.071
16 2HD ARG 25 1HD ARG 25 4.167 -8.409 2.301
17 HE ARG 25 HE ARG 25 6.209 -8.129 0.452
18 1HH1 ARG 25 1HH2 ARG 25 4.727 -10.787 2.105
19 2HH1 ARG 25 2HH2 ARG 25 5.044 -11.943 0.880
20 1HH2 ARG 25 2HH1 ARG 25 6.633 -9.539 -1.172
21 2HH2 ARG 25 1HH1 ARG 25 6.149 -11.181 -1.095
22 H HIS 26 H HIS 26 6.389 -4.372 -0.357
23 HA HIS 26 HA HIS 26 9.384 -4.225 0.005
24 1HB HIS 26 2HB HIS 26 7.943 -5.656 -2.281
25 2HB HIS 26 1HB HIS 26 9.678 -5.546 -2.072
26 HD1 HIS 26 HD1 HIS 26 9.020 -6.155 1.203
27 HD2 HIS 26 HD2 HIS 26 8.409 -8.415 -2.233
28 HE1 HIS 26 HE1 HIS 26 8.886 -8.584 1.830
29 H TYR 27 H TYR 27 7.689 -2.101 -0.069
30 HA TYR 27 HA TYR 27 8.397 -0.816 -2.690
31 1HB TYR 27 2HB TYR 27 5.811 -1.312 -1.791
32 2HB TYR 27 1HB TYR 27 6.088 0.253 -1.082
33 HD1 TYR 27 HD1 TYR 27 6.550 -1.434 -4.383
34 HD2 TYR 27 HD2 TYR 27 5.477 2.131 -2.320
35 HE1 TYR 27 HE1 TYR 27 5.968 -0.363 -6.510
36 HE2 TYR 27 HE2 TYR 27 4.901 3.186 -4.442
37 HH TYR 27 HH TYR 27 4.135 2.340 -6.792
38 H LYS 28 H LYS 28 7.348 0.014 0.554
39 HA LYS 28 HA LYS 28 8.582 2.504 0.831
40 1HB LYS 28 2HB LYS 28 7.025 1.170 2.454
41 2HB LYS 28 1HB LYS 28 8.474 0.432 3.099
42 1HG LYS 28 2HG LYS 28 7.894 3.428 3.006
43 2HG LYS 28 1HG LYS 28 7.641 2.425 4.411
44 1HD LYS 28 2HD LYS 28 9.767 2.767 5.042
45 2HD LYS 28 1HD LYS 28 10.350 1.964 3.611
46 1HE LYS 28 2HE LYS 28 10.117 4.179 2.379
47 2HE LYS 28 1HE LYS 28 9.731 4.938 3.926
48 HZ LYS 28 HZ LYS 28 11.958 3.829 4.691
49 H ASN 29 H ASN 29 10.054 -0.513 1.920
50 HA ASN 29 HA ASN 29 12.630 0.663 2.321
51 1HB ASN 29 2HB ASN 29 11.827 -2.286 2.026
52 2HB ASN 29 1HB ASN 29 13.427 -1.760 2.494
53 1HD2 ASN 29 1HD2 ASN 29 11.301 0.457 3.919
54 2HD2 ASN 29 2HD2 ASN 29 11.155 -0.335 5.417
55 H LEU 30 H LEU 30 11.631 1.018 -0.517
56 HA LEU 30 HA LEU 30 13.917 -0.263 -1.938
57 1HB LEU 30 2HB LEU 30 11.896 -0.604 -3.264
58 2HB LEU 30 1HB LEU 30 11.202 0.911 -2.746
59 HG LEU 30 HG LEU 30 12.594 2.184 -4.001
60 1HD1 LEU 30 1HD1 LEU 30 13.939 -0.401 -5.031
61 2HD1 LEU 30 2HD1 LEU 30 14.726 0.837 -4.055
62 3HD1 LEU 30 3HD1 LEU 30 14.247 1.190 -5.705
63 1HD2 LEU 30 1HD2 LEU 30 10.583 1.346 -5.156
64 2HD2 LEU 30 2HD2 LEU 30 11.424 -0.101 -5.683
65 3HD2 LEU 30 3HD2 LEU 30 11.867 1.458 -6.340
66 H LEU 31 H LEU 31 12.104 2.841 -1.620
67 HA LEU 31 HA LEU 31 14.202 4.537 -2.428
68 1HB LEU 31 2HB LEU 31 11.883 4.906 -0.474
69 2HB LEU 31 1HB LEU 31 12.997 6.220 -0.779
70 HG LEU 31 HG LEU 31 11.522 4.765 -3.054
71 1HD1 LEU 31 1HD1 LEU 31 10.742 7.357 -1.632
72 2HD1 LEU 31 2HD1 LEU 31 9.861 5.846 -1.521
73 3HD1 LEU 31 3HD1 LEU 31 9.939 6.699 -3.050
74 1HD2 LEU 31 1HD2 LEU 31 12.125 6.829 -4.315
75 2HD2 LEU 31 2HD2 LEU 31 13.589 6.116 -3.677
76 3HD2 LEU 31 3HD2 LEU 31 12.876 7.515 -2.894
77 H GLU 32 H GLU 32 13.702 2.875 0.578
78 HA GLU 32 HA GLU 32 16.068 4.240 1.799
79 1HB GLU 32 2HB GLU 32 13.928 2.405 2.984
80 2HB GLU 32 1HB GLU 32 15.356 2.812 3.889
81 1HG GLU 32 2HG GLU 32 13.963 4.526 4.626
82 2HG GLU 32 1HG GLU 32 14.586 5.337 3.202
83 H ARG 33 H ARG 33 16.267 2.097 -0.359
84 HA ARG 33 HA ARG 33 17.820 0.074 1.217
85 1HB ARG 33 2HB ARG 33 17.584 -1.344 -0.684
86 2HB ARG 33 1HB ARG 33 16.038 -0.600 -0.420
87 1HG ARG 33 2HG ARG 33 16.079 -0.142 -2.638
88 2HG ARG 33 1HG ARG 33 17.092 1.200 -2.167
89 1HD ARG 33 2HD ARG 33 18.227 -0.003 -3.958
90 2HD ARG 33 1HD ARG 33 19.115 -0.197 -2.478
91 HE ARG 33 HE ARG 33 18.244 -2.425 -2.182
92 1HH1 ARG 33 1HH2 ARG 33 17.437 -0.977 -5.197
93 2HH1 ARG 33 2HH2 ARG 33 17.161 -2.451 -6.014
94 1HH2 ARG 33 2HH1 ARG 33 17.858 -4.411 -3.173
95 2HH2 ARG 33 1HH1 ARG 33 17.382 -4.449 -4.808
96 H GLN 34 H GLN 34 18.193 2.820 -0.524
97 HA GLN 34 HA GLN 34 21.034 2.331 -1.334
98 1HB GLN 34 2HB GLN 34 19.107 4.630 -1.995
99 2HB GLN 34 1HB GLN 34 20.755 4.532 -2.577
100 1HG GLN 34 2HG GLN 34 20.243 2.475 -3.832
101 2HG GLN 34 1HG GLN 34 18.618 2.418 -3.156
102 1HE2 GLN 34 1HE2 GLN 34 20.384 3.573 -5.876
103 2HE2 GLN 34 2HE2 GLN 34 19.190 4.679 -6.396
104 H ARG 35 H ARG 35 19.061 4.712 0.442
105 HA ARG 35 HA ARG 35 21.496 5.541 1.910
106 1HB ARG 35 2HB ARG 35 18.882 6.987 1.257
107 2HB ARG 35 1HB ARG 35 19.927 7.569 2.528
108 1HG ARG 35 2HG ARG 35 20.934 7.152 -0.346
109 2HG ARG 35 1HG ARG 35 20.241 8.664 0.201
110 1HD ARG 35 2HD ARG 35 22.028 8.861 1.966
111 2HD ARG 35 1HD ARG 35 22.663 7.317 1.487
112 HE ARG 35 HE ARG 35 23.350 8.168 -0.628
113 1HH1 ARG 35 1HH2 ARG 35 22.263 10.589 1.576
114 2HH1 ARG 35 2HH2 ARG 35 23.093 11.886 0.827
115 1HH2 ARG 35 2HH1 ARG 35 24.451 9.812 -1.675
116 2HH2 ARG 35 1HH1 ARG 35 24.366 11.422 -1.113
117 H TYR 36 H TYR 36 20.337 3.243 2.368
118 HA TYR 36 HA TYR 36 18.860 1.987 3.799
119 1HB TYR 36 2HB TYR 36 21.358 2.881 5.229
120 2HB TYR 36 1HB TYR 36 20.407 1.468 5.669
121 HD1 TYR 36 HD1 TYR 36 22.193 3.016 2.725
122 HD2 TYR 36 HD2 TYR 36 20.920 -0.577 4.623
123 HE1 TYR 36 HE1 TYR 36 23.384 1.723 1.054
124 HE2 TYR 36 HE2 TYR 36 22.136 -1.869 2.943
125 HH TYR 36 HH TYR 36 23.105 -0.720 0.114
126 1HT TYR 36 1HT TYR 36 20.170 3.983 6.462
127 2HT TYR 36 2HT TYR 36 18.631 4.346 7.088
Start of MODEL 13
1 HN AYA 24 H ALA 24 1.585 -4.916 -0.376
2 HA AYA 24 HA ALA 24 3.268 -2.612 -1.263
3 1HB AYA 24 1HB ALA 24 1.615 -2.968 1.297
4 2HB AYA 24 2HB ALA 24 1.115 -2.060 -0.121
5 3HB AYA 24 3HB ALA 24 2.485 -1.520 0.829
6 1HM AYA 24 1HA ALA 24 0.942 -6.376 -1.849
7 2HM AYA 24 2HA ALA 24 2.278 -6.797 -2.929
8 3HM AYA 24 3HA ALA 24 0.982 -5.755 -3.499
9 H ARG 25 H ARG 25 2.925 -4.735 1.411
10 HA ARG 25 HA ARG 25 4.425 -5.056 3.273
11 1HB ARG 25 2HB ARG 25 5.606 -6.712 1.010
12 2HB ARG 25 1HB ARG 25 5.539 -7.129 2.709
13 1HG ARG 25 2HG ARG 25 2.982 -7.092 2.540
14 2HG ARG 25 1HG ARG 25 3.153 -6.843 0.812
15 1HD ARG 25 2HD ARG 25 4.595 -9.011 0.809
16 2HD ARG 25 1HD ARG 25 3.980 -9.303 2.414
17 HE ARG 25 HE ARG 25 2.347 -9.036 -0.085
18 1HH1 ARG 25 1HH2 ARG 25 2.609 -10.249 3.161
19 2HH1 ARG 25 2HH2 ARG 25 1.161 -11.150 3.080
20 1HH2 ARG 25 2HH1 ARG 25 0.467 -10.192 -0.220
21 2HH2 ARG 25 1HH1 ARG 25 -0.092 -11.120 1.102
22 H HIS 26 H HIS 26 6.596 -4.706 0.449
23 HA HIS 26 HA HIS 26 8.458 -3.128 2.142
24 1HB HIS 26 2HB HIS 26 8.923 -5.879 1.116
25 2HB HIS 26 1HB HIS 26 10.170 -4.763 0.580
26 HD1 HIS 26 HD1 HIS 26 8.327 -4.648 3.886
27 HD2 HIS 26 HD2 HIS 26 12.140 -5.258 2.327
28 HE1 HIS 26 HE1 HIS 26 9.973 -4.783 5.765
29 H TYR 27 H TYR 27 7.126 -1.657 0.768
30 HA TYR 27 HA TYR 27 8.354 -1.253 -1.916
31 1HB TYR 27 2HB TYR 27 6.400 0.007 -2.487
32 2HB TYR 27 1HB TYR 27 5.831 -1.460 -1.723
33 HD1 TYR 27 HD1 TYR 27 5.327 -1.183 0.952
34 HD2 TYR 27 HD2 TYR 27 5.440 2.025 -1.854
35 HE1 TYR 27 HE1 TYR 27 4.010 0.181 2.462
36 HE2 TYR 27 HE2 TYR 27 4.102 3.387 -0.323
37 HH TYR 27 HH TYR 27 3.292 2.330 2.909
38 H LYS 28 H LYS 28 7.104 0.786 0.686
39 HA LYS 28 HA LYS 28 8.532 3.119 0.085
40 1HB LYS 28 2HB LYS 28 6.768 2.979 1.894
41 2HB LYS 28 1HB LYS 28 7.856 2.034 2.892
42 1HG LYS 28 2HG LYS 28 8.695 4.798 1.922
43 2HG LYS 28 1HG LYS 28 7.653 4.644 3.315
44 1HD LYS 28 2HD LYS 28 9.285 3.546 4.601
45 2HD LYS 28 1HD LYS 28 10.258 3.050 3.251
46 1HE LYS 28 2HE LYS 28 10.592 5.644 2.852
47 2HE LYS 28 1HE LYS 28 10.073 5.772 4.535
48 HZ LYS 28 HZ LYS 28 11.889 4.175 5.118
49 H ASN 29 H ASN 29 9.559 0.327 1.945
50 HA ASN 29 HA ASN 29 12.096 1.386 2.688
51 1HB ASN 29 2HB ASN 29 10.950 -0.766 3.644
52 2HB ASN 29 1HB ASN 29 11.710 -1.609 2.289
53 1HD2 ASN 29 1HD2 ASN 29 13.782 -2.441 2.947
54 2HD2 ASN 29 2HD2 ASN 29 14.797 -1.639 4.062
55 H LEU 30 H LEU 30 11.451 1.281 -0.278
56 HA LEU 30 HA LEU 30 14.040 0.132 -1.339
57 1HB LEU 30 2HB LEU 30 11.651 1.405 -2.795
58 2HB LEU 30 1HB LEU 30 12.994 0.588 -3.575
59 HG LEU 30 HG LEU 30 11.237 -0.697 -1.503
60 1HD1 LEU 30 1HD1 LEU 30 9.878 -0.058 -3.526
61 2HD1 LEU 30 2HD1 LEU 30 10.066 -1.799 -3.504
62 3HD1 LEU 30 3HD1 LEU 30 11.049 -0.821 -4.585
63 1HD2 LEU 30 1HD2 LEU 30 12.110 -2.834 -2.486
64 2HD2 LEU 30 2HD2 LEU 30 13.404 -1.845 -1.846
65 3HD2 LEU 30 3HD2 LEU 30 13.130 -1.911 -3.583
66 H LEU 31 H LEU 31 12.028 2.926 -0.816
67 HA LEU 31 HA LEU 31 13.822 4.875 -1.927
68 1HB LEU 31 2HB LEU 31 11.835 5.121 0.407
69 2HB LEU 31 1HB LEU 31 12.463 6.458 -0.526
70 HG LEU 31 HG LEU 31 10.740 4.176 -1.683
71 1HD1 LEU 31 1HD1 LEU 31 9.465 5.665 -0.136
72 2HD1 LEU 31 2HD1 LEU 31 8.949 5.916 -1.795
73 3HD1 LEU 31 3HD1 LEU 31 10.018 7.076 -1.020
74 1HD2 LEU 31 1HD2 LEU 31 11.655 6.821 -2.923
75 2HD2 LEU 31 2HD2 LEU 31 10.612 5.639 -3.689
76 3HD2 LEU 31 3HD2 LEU 31 12.284 5.242 -3.362
77 H GLU 32 H GLU 32 13.678 2.867 0.827
78 HA GLU 32 HA GLU 32 15.935 4.342 2.161
79 1HB GLU 32 2HB GLU 32 13.884 2.329 3.162
80 2HB GLU 32 1HB GLU 32 15.393 2.430 4.016
81 1HG GLU 32 2HG GLU 32 13.956 3.945 5.185
82 2HG GLU 32 1HG GLU 32 14.928 5.010 4.188
83 H ARG 33 H ARG 33 16.279 2.734 -0.267
84 HA ARG 33 HA ARG 33 17.971 0.513 0.782
85 1HB ARG 33 2HB ARG 33 16.661 1.065 -1.881
86 2HB ARG 33 1HB ARG 33 18.061 0.058 -1.889
87 1HG ARG 33 2HG ARG 33 15.696 -0.473 -0.106
88 2HG ARG 33 1HG ARG 33 15.878 -1.179 -1.699
89 1HD ARG 33 2HD ARG 33 18.262 -1.957 -0.744
90 2HD ARG 33 1HD ARG 33 17.522 -1.655 0.817
91 HE ARG 33 HE ARG 33 16.362 -3.454 -1.274
92 1HH1 ARG 33 1HH2 ARG 33 17.032 -2.848 2.092
93 2HH1 ARG 33 2HH2 ARG 33 16.329 -4.329 2.612
94 1HH2 ARG 33 2HH1 ARG 33 15.427 -5.327 -0.616
95 2HH2 ARG 33 1HH1 ARG 33 15.400 -5.771 1.032
96 H GLN 34 H GLN 34 18.334 2.892 -1.813
97 HA GLN 34 HA GLN 34 20.773 2.859 -2.719
98 1HB GLN 34 2HB GLN 34 19.558 5.331 -1.417
99 2HB GLN 34 1HB GLN 34 21.053 5.371 -2.341
100 1HG GLN 34 2HG GLN 34 19.742 4.298 -4.287
101 2HG GLN 34 1HG GLN 34 18.283 4.644 -3.376
102 1HE2 GLN 34 1HE2 GLN 34 20.353 7.210 -2.583
103 2HE2 GLN 34 2HE2 GLN 34 19.838 8.242 -3.828
104 H ARG 35 H ARG 35 20.379 4.217 0.479
105 HA ARG 35 HA ARG 35 23.021 3.154 1.196
106 1HB ARG 35 2HB ARG 35 23.184 5.464 0.046
107 2HB ARG 35 1HB ARG 35 22.450 6.121 1.501
108 1HG ARG 35 2HG ARG 35 24.287 5.728 2.828
109 2HG ARG 35 1HG ARG 35 24.835 4.350 1.882
110 1HD ARG 35 2HD ARG 35 25.501 5.854 0.018
111 2HD ARG 35 1HD ARG 35 24.842 7.220 0.933
112 HE ARG 35 HE ARG 35 26.974 5.535 2.145
113 1HH1 ARG 35 1HH2 ARG 35 26.028 8.554 0.748
114 2HH1 ARG 35 2HH2 ARG 35 27.356 9.435 1.361
115 1HH2 ARG 35 2HH1 ARG 35 28.763 6.620 2.943
116 2HH2 ARG 35 1HH1 ARG 35 28.979 8.284 2.629
117 H TYR 36 H TYR 36 20.607 2.366 2.152
118 HA TYR 36 HA TYR 36 20.860 3.132 5.023
119 1HB TYR 36 2HB TYR 36 18.551 3.634 3.256
120 2HB TYR 36 1HB TYR 36 18.066 2.613 4.586
121 HD1 TYR 36 HD1 TYR 36 19.089 3.398 6.980
122 HD2 TYR 36 HD2 TYR 36 18.485 5.968 3.634
123 HE1 TYR 36 HE1 TYR 36 19.054 5.343 8.472
124 HE2 TYR 36 HE2 TYR 36 18.444 7.894 5.134
125 HH TYR 36 HH TYR 36 19.392 8.457 7.455
126 1HT TYR 36 1HT TYR 36 18.851 1.311 5.993
127 2HT TYR 36 2HT TYR 36 19.388 -0.255 5.604
Start of MODEL 14
1 HN AYA 24 H ALA 24 0.836 -2.046 -0.331
2 HA AYA 24 HA ALA 24 3.557 -1.163 -1.040
3 1HB AYA 24 1HB ALA 24 1.636 0.424 -1.230
4 2HB AYA 24 2HB ALA 24 2.792 1.009 -0.040
5 3HB AYA 24 3HB ALA 24 1.311 0.235 0.488
6 1HM AYA 24 1HA ALA 24 0.066 -3.954 -1.032
7 2HM AYA 24 2HA ALA 24 1.235 -5.262 -0.854
8 3HM AYA 24 3HA ALA 24 0.954 -4.543 -2.439
9 H ARG 25 H ARG 25 4.009 -3.150 0.321
10 HA ARG 25 HA ARG 25 4.650 -2.266 3.123
11 1HB ARG 25 2HB ARG 25 3.208 -4.165 3.399
12 2HB ARG 25 1HB ARG 25 3.898 -5.033 2.051
13 1HG ARG 25 2HG ARG 25 4.602 -5.986 4.272
14 2HG ARG 25 1HG ARG 25 5.966 -5.481 3.317
15 1HD ARG 25 2HD ARG 25 6.650 -3.953 4.878
16 2HD ARG 25 1HD ARG 25 5.051 -3.258 5.053
17 HE ARG 25 HE ARG 25 4.439 -5.176 6.482
18 1HH1 ARG 25 1HH2 ARG 25 7.821 -4.408 6.201
19 2HH1 ARG 25 2HH2 ARG 25 8.239 -5.183 7.670
20 1HH2 ARG 25 2HH1 ARG 25 4.943 -6.147 8.397
21 2HH2 ARG 25 1HH1 ARG 25 6.551 -6.174 8.972
22 H HIS 26 H HIS 26 5.722 -4.392 0.515
23 HA HIS 26 HA HIS 26 8.504 -4.137 1.484
24 1HB HIS 26 2HB HIS 26 7.331 -5.833 -0.774
25 2HB HIS 26 1HB HIS 26 8.997 -5.886 -0.246
26 HD1 HIS 26 HD1 HIS 26 5.586 -6.980 0.846
27 HD2 HIS 26 HD2 HIS 26 9.517 -7.014 2.199
28 HE1 HIS 26 HE1 HIS 26 5.761 -8.506 2.800
29 H TYR 27 H TYR 27 7.326 -1.858 0.551
30 HA TYR 27 HA TYR 27 8.634 -1.304 -2.098
31 1HB TYR 27 2HB TYR 27 5.996 -0.901 -1.373
32 2HB TYR 27 1HB TYR 27 6.655 0.648 -0.903
33 HD1 TYR 27 HD1 TYR 27 8.435 1.570 -2.893
34 HD2 TYR 27 HD2 TYR 27 5.021 -0.930 -3.443
35 HE1 TYR 27 HE1 TYR 27 8.248 2.306 -5.228
36 HE2 TYR 27 HE2 TYR 27 4.849 -0.198 -5.752
37 HH TYR 27 HH TYR 27 5.527 1.388 -7.249
38 H LYS 28 H LYS 28 7.849 0.093 0.994
39 HA LYS 28 HA LYS 28 9.393 2.351 1.256
40 1HB LYS 28 2HB LYS 28 7.844 1.371 2.978
41 2HB LYS 28 1HB LYS 28 9.030 0.138 3.347
42 1HG LYS 28 2HG LYS 28 9.396 1.736 5.012
43 2HG LYS 28 1HG LYS 28 10.642 2.117 3.856
44 1HD LYS 28 2HD LYS 28 8.960 3.843 2.855
45 2HD LYS 28 1HD LYS 28 8.005 3.564 4.299
46 1HE LYS 28 2HE LYS 28 9.442 5.382 4.879
47 2HE LYS 28 1HE LYS 28 10.223 3.992 5.620
48 HZ LYS 28 HZ LYS 28 11.017 5.248 3.030
49 H ASN 29 H ASN 29 10.361 -0.807 2.116
50 HA ASN 29 HA ASN 29 13.017 -0.567 2.704
51 1HB ASN 29 2HB ASN 29 13.095 -3.136 1.954
52 2HB ASN 29 1HB ASN 29 11.920 -2.711 3.194
53 1HD2 ASN 29 1HD2 ASN 29 12.045 -4.338 0.145
54 2HD2 ASN 29 2HD2 ASN 29 10.408 -4.118 -0.234
55 H LEU 30 H LEU 30 11.836 -0.187 -0.205
56 HA LEU 30 HA LEU 30 14.462 -0.619 -1.663
57 1HB LEU 30 2HB LEU 30 12.869 -1.631 -3.058
58 2HB LEU 30 1HB LEU 30 11.531 -0.743 -2.400
59 HG LEU 30 HG LEU 30 12.209 1.248 -3.671
60 1HD1 LEU 30 1HD1 LEU 30 14.284 -0.638 -4.936
61 2HD1 LEU 30 2HD1 LEU 30 14.670 0.776 -3.968
62 3HD1 LEU 30 3HD1 LEU 30 13.912 0.968 -5.536
63 1HD2 LEU 30 1HD2 LEU 30 11.503 0.361 -5.912
64 2HD2 LEU 30 2HD2 LEU 30 10.545 -0.297 -4.603
65 3HD2 LEU 30 3HD2 LEU 30 11.806 -1.269 -5.346
66 H LEU 31 H LEU 31 11.798 1.699 -1.405
67 HA LEU 31 HA LEU 31 13.081 3.946 -2.491
68 1HB LEU 31 2HB LEU 31 11.125 3.835 -0.145
69 2HB LEU 31 1HB LEU 31 11.494 5.281 -1.063
70 HG LEU 31 HG LEU 31 10.345 2.745 -2.346
71 1HD1 LEU 31 1HD1 LEU 31 8.724 3.760 -0.738
72 2HD1 LEU 31 2HD1 LEU 31 8.199 4.006 -2.393
73 3HD1 LEU 31 3HD1 LEU 31 8.937 5.326 -1.509
74 1HD2 LEU 31 1HD2 LEU 31 10.591 5.627 -3.359
75 2HD2 LEU 31 2HD2 LEU 31 9.857 4.300 -4.234
76 3HD2 LEU 31 3HD2 LEU 31 11.575 4.285 -3.932
77 H GLU 32 H GLU 32 13.600 2.525 0.564
78 HA GLU 32 HA GLU 32 15.342 4.797 1.437
79 1HB GLU 32 2HB GLU 32 13.954 2.477 2.822
80 2HB GLU 32 1HB GLU 32 15.147 3.416 3.683
81 1HG GLU 32 2HG GLU 32 13.839 5.463 3.402
82 2HG GLU 32 1HG GLU 32 12.861 4.772 2.123
83 H ARG 33 H ARG 33 15.908 2.290 -0.379
84 HA ARG 33 HA ARG 33 18.130 0.923 0.790
85 1HB ARG 33 2HB ARG 33 17.241 1.436 -2.093
86 2HB ARG 33 1HB ARG 33 18.521 0.317 -1.771
87 1HG ARG 33 2HG ARG 33 15.903 0.049 -0.520
88 2HG ARG 33 1HG ARG 33 16.389 -0.719 -2.037
89 1HD ARG 33 2HD ARG 33 18.386 -1.728 -0.577
90 2HD ARG 33 1HD ARG 33 17.438 -1.160 0.772
91 HE ARG 33 HE ARG 33 15.608 -2.511 0.195
92 1HH1 ARG 33 1HH2 ARG 33 18.384 -3.033 -1.786
93 2HH1 ARG 33 2HH2 ARG 33 17.919 -4.585 -2.339
94 1HH2 ARG 33 2HH1 ARG 33 14.932 -4.543 -0.511
95 2HH2 ARG 33 1HH1 ARG 33 15.874 -5.460 -1.609
96 H GLN 34 H GLN 34 18.184 3.454 -1.617
97 HA GLN 34 HA GLN 34 20.591 4.163 -2.299
98 1HB GLN 34 2HB GLN 34 18.314 5.527 -2.294
99 2HB GLN 34 1HB GLN 34 19.003 6.342 -0.911
100 1HG GLN 34 2HG GLN 34 20.443 6.225 -3.602
101 2HG GLN 34 1HG GLN 34 19.364 7.528 -3.147
102 1HE2 GLN 34 1HE2 GLN 34 22.455 7.428 -3.563
103 2HE2 GLN 34 2HE2 GLN 34 23.015 8.154 -2.131
104 H ARG 35 H ARG 35 19.774 4.505 1.074
105 HA ARG 35 HA ARG 35 22.462 5.524 1.709
106 1HB ARG 35 2HB ARG 35 20.016 5.281 3.500
107 2HB ARG 35 1HB ARG 35 21.498 6.132 3.906
108 1HG ARG 35 2HG ARG 35 21.105 7.742 2.060
109 2HG ARG 35 1HG ARG 35 19.698 6.846 1.539
110 1HD ARG 35 2HD ARG 35 18.953 8.767 2.875
111 2HD ARG 35 1HD ARG 35 18.594 7.275 3.727
112 HE ARG 35 HE ARG 35 21.078 8.869 4.256
113 1HH1 ARG 35 1HH2 ARG 35 18.242 7.299 5.497
114 2HH1 ARG 35 2HH2 ARG 35 18.661 7.524 7.140
115 1HH2 ARG 35 2HH1 ARG 35 21.652 9.214 6.370
116 2HH2 ARG 35 1HH1 ARG 35 20.676 8.644 7.652
117 H TYR 36 H TYR 36 20.241 3.054 2.608
118 HA TYR 36 HA TYR 36 22.430 1.382 3.800
119 1HB TYR 36 2HB TYR 36 20.586 2.364 5.395
120 2HB TYR 36 1HB TYR 36 19.491 1.227 4.626
121 HD1 TYR 36 HD1 TYR 36 20.362 -1.324 4.554
122 HD2 TYR 36 HD2 TYR 36 21.832 1.641 7.248
123 HE1 TYR 36 HE1 TYR 36 21.196 -3.073 6.047
124 HE2 TYR 36 HE2 TYR 36 22.656 -0.121 8.726
125 HH TYR 36 HH TYR 36 22.115 -2.553 9.201
126 1HT TYR 36 1HT TYR 36 22.619 0.707 1.505
127 2HT TYR 36 2HT TYR 36 21.521 -0.436 0.873
Start of MODEL 15
1 HN AYA 24 H ALA 24 1.860 -1.001 1.308
2 HA AYA 24 HA ALA 24 4.367 -1.042 -0.098
3 1HB AYA 24 1HB ALA 24 5.044 0.695 1.588
4 2HB AYA 24 2HB ALA 24 3.601 0.340 2.513
5 3HB AYA 24 3HB ALA 24 3.463 1.042 0.908
6 1HM AYA 24 1HA ALA 24 0.549 -3.929 0.656
7 2HM AYA 24 2HA ALA 24 0.340 -2.985 -0.814
8 3HM AYA 24 3HA ALA 24 0.139 -2.219 0.760
9 H ARG 25 H ARG 25 4.595 -3.464 0.396
10 HA ARG 25 HA ARG 25 5.988 -3.960 2.981
11 1HB ARG 25 2HB ARG 25 4.860 -5.820 0.832
12 2HB ARG 25 1HB ARG 25 6.065 -6.405 1.942
13 1HG ARG 25 2HG ARG 25 3.963 -6.946 2.915
14 2HG ARG 25 1HG ARG 25 4.635 -5.651 3.871
15 1HD ARG 25 2HD ARG 25 2.334 -4.985 3.559
16 2HD ARG 25 1HD ARG 25 3.225 -4.051 2.409
17 HE ARG 25 HE ARG 25 2.517 -5.426 0.607
18 1HH1 ARG 25 1HH2 ARG 25 1.229 -6.380 3.680
19 2HH1 ARG 25 2HH2 ARG 25 -0.059 -7.312 3.055
20 1HH2 ARG 25 2HH1 ARG 25 0.851 -6.679 -0.295
21 2HH2 ARG 25 1HH1 ARG 25 -0.255 -7.508 0.719
22 H HIS 26 H HIS 26 6.601 -4.094 -0.505
23 HA HIS 26 HA HIS 26 9.519 -4.180 0.186
24 1HB HIS 26 2HB HIS 26 8.448 -6.312 -0.927
25 2HB HIS 26 1HB HIS 26 8.312 -5.321 -2.368
26 HD1 HIS 26 HD1 HIS 26 10.099 -7.708 -2.559
27 HD2 HIS 26 HD2 HIS 26 11.458 -3.977 -1.315
28 HE1 HIS 26 HE1 HIS 26 12.562 -7.569 -2.928
29 H TYR 27 H TYR 27 7.930 -1.886 -0.023
30 HA TYR 27 HA TYR 27 8.981 -0.666 -2.573
31 1HB TYR 27 2HB TYR 27 6.360 -0.840 -2.184
32 2HB TYR 27 1HB TYR 27 6.588 0.466 -1.041
33 HD1 TYR 27 HD1 TYR 27 7.550 -0.467 -4.545
34 HD2 TYR 27 HD2 TYR 27 6.462 2.681 -1.875
35 HE1 TYR 27 HE1 TYR 27 7.571 1.114 -6.404
36 HE2 TYR 27 HE2 TYR 27 6.478 4.258 -3.752
37 HH TYR 27 HH TYR 27 7.162 3.267 -7.059
38 H LYS 28 H LYS 28 7.834 0.326 0.603
39 HA LYS 28 HA LYS 28 9.289 2.662 0.953
40 1HB LYS 28 2HB LYS 28 7.588 1.648 2.617
41 2HB LYS 28 1HB LYS 28 8.847 0.554 3.151
42 1HG LYS 28 2HG LYS 28 8.884 2.370 4.683
43 2HG LYS 28 1HG LYS 28 10.263 2.660 3.645
44 1HD LYS 28 2HD LYS 28 8.552 4.115 2.214
45 2HD LYS 28 1HD LYS 28 7.566 4.031 3.656
46 1HE LYS 28 2HE LYS 28 8.911 6.030 3.793
47 2HE LYS 28 1HE LYS 28 9.539 4.875 4.969
48 HZ LYS 28 HZ LYS 28 10.728 5.181 2.232
49 H ASN 29 H ASN 29 10.196 -0.537 1.861
50 HA ASN 29 HA ASN 29 12.850 0.040 2.664
51 1HB ASN 29 2HB ASN 29 11.814 -2.662 1.669
52 2HB ASN 29 1HB ASN 29 13.137 -2.417 2.793
53 1HD2 ASN 29 1HD2 ASN 29 12.515 -2.636 4.990
54 2HD2 ASN 29 2HD2 ASN 29 10.913 -2.409 5.522
55 H LEU 30 H LEU 30 11.837 0.286 -0.267
56 HA LEU 30 HA LEU 30 14.356 -0.648 -1.570
57 1HB LEU 30 2HB LEU 30 12.648 -1.470 -2.962
58 2HB LEU 30 1HB LEU 30 11.473 -0.315 -2.451
59 HG LEU 30 HG LEU 30 12.545 1.415 -3.798
60 1HD1 LEU 30 1HD1 LEU 30 14.272 0.711 -5.523
61 2HD1 LEU 30 2HD1 LEU 30 14.277 -0.904 -4.833
62 3HD1 LEU 30 3HD1 LEU 30 14.884 0.458 -3.906
63 1HD2 LEU 30 1HD2 LEU 30 11.778 -1.131 -5.303
64 2HD2 LEU 30 2HD2 LEU 30 11.815 0.475 -6.022
65 3HD2 LEU 30 3HD2 LEU 30 10.679 0.119 -4.725
66 H LEU 31 H LEU 31 12.064 2.035 -1.583
67 HA LEU 31 HA LEU 31 13.786 4.065 -2.577
68 1HB LEU 31 2HB LEU 31 11.550 4.400 -0.537
69 2HB LEU 31 1HB LEU 31 12.170 5.648 -1.607
70 HG LEU 31 HG LEU 31 10.793 3.074 -2.582
71 1HD1 LEU 31 1HD1 LEU 31 9.734 5.911 -2.380
72 2HD1 LEU 31 2HD1 LEU 31 9.224 4.553 -1.397
73 3HD1 LEU 31 3HD1 LEU 31 8.898 4.556 -3.119
74 1HD2 LEU 31 1HD2 LEU 31 11.605 5.603 -4.103
75 2HD2 LEU 31 2HD2 LEU 31 10.743 4.237 -4.778
76 3HD2 LEU 31 3HD2 LEU 31 12.407 4.053 -4.252
77 H GLU 32 H GLU 32 13.307 2.873 0.617
78 HA GLU 32 HA GLU 32 15.382 4.735 1.717
79 1HB GLU 32 2HB GLU 32 13.291 2.928 3.039
80 2HB GLU 32 1HB GLU 32 14.526 3.790 3.945
81 1HG GLU 32 2HG GLU 32 13.705 5.912 3.333
82 2HG GLU 32 1HG GLU 32 12.800 5.307 1.966
83 H ARG 33 H ARG 33 15.760 2.314 0.009
84 HA ARG 33 HA ARG 33 17.482 0.632 1.796
85 1HB ARG 33 2HB ARG 33 17.233 -1.104 0.225
86 2HB ARG 33 1HB ARG 33 15.850 -0.157 -0.224
87 1HG ARG 33 2HG ARG 33 16.792 -0.854 -2.230
88 2HG ARG 33 1HG ARG 33 17.031 0.856 -2.164
89 1HD ARG 33 2HD ARG 33 19.437 0.509 -1.519
90 2HD ARG 33 1HD ARG 33 19.231 -1.207 -1.508
91 HE ARG 33 HE ARG 33 19.136 0.636 -3.848
92 1HH1 ARG 33 1HH2 ARG 33 18.966 -2.594 -2.663
93 2HH1 ARG 33 2HH2 ARG 33 19.392 -3.347 -4.148
94 1HH2 ARG 33 2HH1 ARG 33 19.547 -0.277 -5.876
95 2HH2 ARG 33 1HH1 ARG 33 19.659 -1.972 -6.049
96 H GLN 34 H GLN 34 17.279 2.512 -1.045
97 HA GLN 34 HA GLN 34 19.560 2.859 -2.349
98 1HB GLN 34 2HB GLN 34 17.620 4.544 -2.307
99 2HB GLN 34 1HB GLN 34 18.348 5.301 -0.918
100 1HG GLN 34 2HG GLN 34 20.414 5.768 -2.271
101 2HG GLN 34 1HG GLN 34 19.620 5.075 -3.683
102 1HE2 GLN 34 1HE2 GLN 34 18.277 6.539 -4.851
103 2HE2 GLN 34 2HE2 GLN 34 17.781 8.040 -4.230
104 H ARG 35 H ARG 35 19.231 4.480 0.712
105 HA ARG 35 HA ARG 35 21.459 3.552 2.092
106 1HB ARG 35 2HB ARG 35 22.660 4.871 0.027
107 2HB ARG 35 1HB ARG 35 22.174 6.281 0.951
108 1HG ARG 35 2HG ARG 35 23.361 5.330 2.958
109 2HG ARG 35 1HG ARG 35 23.904 3.985 1.976
110 1HD ARG 35 2HD ARG 35 25.709 5.765 1.999
111 2HD ARG 35 1HD ARG 35 25.027 5.521 0.411
112 HE ARG 35 HE ARG 35 23.967 7.594 0.499
113 1HH1 ARG 35 1HH2 ARG 35 25.183 6.689 3.560
114 2HH1 ARG 35 2HH2 ARG 35 24.957 8.207 4.322
115 1HH2 ARG 35 2HH1 ARG 35 23.603 9.636 1.379
116 2HH2 ARG 35 1HH1 ARG 35 23.974 9.943 3.021
117 H TYR 36 H TYR 36 18.830 4.268 2.663
118 HA TYR 36 HA TYR 36 19.334 6.417 4.645
119 1HB TYR 36 2HB TYR 36 18.288 7.359 2.415
120 2HB TYR 36 1HB TYR 36 16.798 6.593 2.961
121 HD1 TYR 36 HD1 TYR 36 15.913 7.206 5.324
122 HD2 TYR 36 HD2 TYR 36 19.058 9.366 3.423
123 HE1 TYR 36 HE1 TYR 36 15.594 9.049 6.885
124 HE2 TYR 36 HE2 TYR 36 18.730 11.219 5.000
125 HH TYR 36 HH TYR 36 16.064 11.339 7.189
126 1HT TYR 36 1HT TYR 36 19.278 4.442 6.026
127 2HT TYR 36 2HT TYR 36 17.758 3.844 6.493
Start of MODEL 16
1 HN AYA 24 H ALA 24 3.376 0.058 2.752
2 HA AYA 24 HA ALA 24 3.159 -1.140 0.061
3 1HB AYA 24 1HB ALA 24 4.822 0.551 -0.545
4 2HB AYA 24 2HB ALA 24 5.100 0.964 1.148
5 3HB AYA 24 3HB ALA 24 3.558 1.317 0.378
6 1HM AYA 24 1HA ALA 24 0.435 -1.048 3.621
7 2HM AYA 24 2HA ALA 24 1.935 -0.423 4.305
8 3HM AYA 24 3HA ALA 24 1.579 -2.151 4.381
9 H ARG 25 H ARG 25 3.591 -3.012 1.584
10 HA ARG 25 HA ARG 25 5.509 -4.225 2.766
11 1HB ARG 25 2HB ARG 25 4.239 -5.240 0.200
12 2HB ARG 25 1HB ARG 25 5.225 -6.273 1.222
13 1HG ARG 25 2HG ARG 25 3.757 -5.806 3.174
14 2HG ARG 25 1HG ARG 25 2.771 -4.728 2.210
15 1HD ARG 25 2HD ARG 25 3.178 -7.667 1.553
16 2HD ARG 25 1HD ARG 25 1.834 -7.107 2.495
17 HE ARG 25 HE ARG 25 2.419 -6.434 -0.371
18 1HH1 ARG 25 1HH2 ARG 25 0.205 -6.441 2.296
19 2HH1 ARG 25 2HH2 ARG 25 -1.167 -6.072 1.355
20 1HH2 ARG 25 2HH1 ARG 25 0.632 -5.920 -1.654
21 2HH2 ARG 25 1HH1 ARG 25 -0.912 -5.752 -0.942
22 H HIS 26 H HIS 26 6.136 -3.884 -0.726
23 HA HIS 26 HA HIS 26 9.035 -4.135 -0.020
24 1HB HIS 26 2HB HIS 26 7.936 -6.207 -1.156
25 2HB HIS 26 1HB HIS 26 7.822 -5.215 -2.606
26 HD1 HIS 26 HD1 HIS 26 10.271 -3.957 -3.039
27 HD2 HIS 26 HD2 HIS 26 10.198 -7.634 -1.114
28 HE1 HIS 26 HE1 HIS 26 12.558 -5.030 -3.224
29 H TYR 27 H TYR 27 7.905 -1.727 -0.088
30 HA TYR 27 HA TYR 27 8.934 -0.514 -2.649
31 1HB TYR 27 2HB TYR 27 6.312 -0.533 -2.095
32 2HB TYR 27 1HB TYR 27 6.752 0.738 -0.969
33 HD1 TYR 27 HD1 TYR 27 7.426 2.962 -1.761
34 HD2 TYR 27 HD2 TYR 27 6.549 -0.166 -4.516
35 HE1 TYR 27 HE1 TYR 27 7.323 4.586 -3.600
36 HE2 TYR 27 HE2 TYR 27 6.463 1.474 -6.338
37 HH TYR 27 HH TYR 27 5.990 4.018 -6.535
38 H LYS 28 H LYS 28 7.978 0.252 0.623
39 HA LYS 28 HA LYS 28 9.559 2.467 1.214
40 1HB LYS 28 2HB LYS 28 7.795 1.312 2.719
41 2HB LYS 28 1HB LYS 28 9.026 0.152 3.166
42 1HG LYS 28 2HG LYS 28 9.170 1.752 4.880
43 2HG LYS 28 1HG LYS 28 10.475 2.222 3.819
44 1HD LYS 28 2HD LYS 28 8.608 3.761 2.671
45 2HD LYS 28 1HD LYS 28 7.754 3.482 4.174
46 1HE LYS 28 2HE LYS 28 9.094 5.508 4.386
47 2HE LYS 28 1HE LYS 28 9.812 4.269 5.416
48 HZ LYS 28 HZ LYS 28 10.778 4.835 2.641
49 H ASN 29 H ASN 29 10.247 -0.827 1.776
50 HA ASN 29 HA ASN 29 12.902 -0.688 2.634
51 1HB ASN 29 2HB ASN 29 12.923 -3.177 2.264
52 2HB ASN 29 1HB ASN 29 11.314 -2.747 2.848
53 1HD2 ASN 29 1HD2 ASN 29 12.301 -4.918 0.746
54 2HD2 ASN 29 2HD2 ASN 29 11.264 -4.608 -0.562
55 H LEU 30 H LEU 30 11.868 -0.069 -0.277
56 HA LEU 30 HA LEU 30 14.429 -0.803 -1.609
57 1HB LEU 30 2HB LEU 30 12.784 -1.548 -3.092
58 2HB LEU 30 1HB LEU 30 11.570 -0.460 -2.497
59 HG LEU 30 HG LEU 30 12.629 1.394 -3.680
60 1HD1 LEU 30 1HD1 LEU 30 14.387 0.886 -5.445
61 2HD1 LEU 30 2HD1 LEU 30 14.433 -0.782 -4.907
62 3HD1 LEU 30 3HD1 LEU 30 15.001 0.503 -3.856
63 1HD2 LEU 30 1HD2 LEU 30 11.963 0.661 -5.980
64 2HD2 LEU 30 2HD2 LEU 30 10.811 0.154 -4.753
65 3HD2 LEU 30 3HD2 LEU 30 11.950 -1.005 -5.426
66 H LEU 31 H LEU 31 12.085 1.834 -1.526
67 HA LEU 31 HA LEU 31 13.755 3.925 -2.387
68 1HB LEU 31 2HB LEU 31 11.451 3.944 -0.397
69 2HB LEU 31 1HB LEU 31 12.213 5.426 -0.935
70 HG LEU 31 HG LEU 31 10.860 3.385 -2.773
71 1HD1 LEU 31 1HD1 LEU 31 10.008 6.155 -1.813
72 2HD1 LEU 31 2HD1 LEU 31 9.252 4.635 -1.356
73 3HD1 LEU 31 3HD1 LEU 31 9.165 5.208 -3.016
74 1HD2 LEU 31 1HD2 LEU 31 11.137 5.150 -4.513
75 2HD2 LEU 31 2HD2 LEU 31 12.713 4.674 -3.938
76 3HD2 LEU 31 3HD2 LEU 31 11.990 6.174 -3.380
77 H GLU 32 H GLU 32 13.502 2.544 0.720
78 HA GLU 32 HA GLU 32 15.486 4.485 1.830
79 1HB GLU 32 2HB GLU 32 13.570 2.489 3.117
80 2HB GLU 32 1HB GLU 32 14.730 3.406 4.049
81 1HG GLU 32 2HG GLU 32 13.713 5.521 3.351
82 2HG GLU 32 1HG GLU 32 12.738 4.730 2.129
83 H ARG 33 H ARG 33 16.023 1.985 0.063
84 HA ARG 33 HA ARG 33 17.927 0.607 1.905
85 1HB ARG 33 2HB ARG 33 17.880 -1.254 0.398
86 2HB ARG 33 1HB ARG 33 16.267 -0.643 0.390
87 1HG ARG 33 2HG ARG 33 16.448 -0.793 -1.908
88 2HG ARG 33 1HG ARG 33 17.181 0.771 -1.746
89 1HD ARG 33 2HD ARG 33 18.741 -0.419 -3.046
90 2HD ARG 33 1HD ARG 33 19.455 -0.572 -1.449
91 HE ARG 33 HE ARG 33 18.160 -2.764 -1.274
92 1HH1 ARG 33 1HH2 ARG 33 19.219 -1.518 -4.332
93 2HH1 ARG 33 2HH2 ARG 33 19.328 -3.043 -5.095
94 1HH2 ARG 33 2HH1 ARG 33 18.205 -4.784 -2.236
95 2HH2 ARG 33 1HH1 ARG 33 18.711 -4.961 -3.857
96 H GLN 34 H GLN 34 17.902 2.710 -0.798
97 HA GLN 34 HA GLN 34 20.836 2.339 -1.245
98 1HB GLN 34 2HB GLN 34 18.856 4.211 -2.671
99 2HB GLN 34 1HB GLN 34 20.532 3.929 -3.131
100 1HG GLN 34 2HG GLN 34 20.045 1.501 -3.458
101 2HG GLN 34 1HG GLN 34 18.364 1.789 -3.039
102 1HE2 GLN 34 1HE2 GLN 34 19.049 4.515 -4.780
103 2HE2 GLN 34 2HE2 GLN 34 18.642 3.899 -6.309
104 H ARG 35 H ARG 35 18.559 4.469 0.182
105 HA ARG 35 HA ARG 35 20.727 6.297 1.025
106 1HB ARG 35 2HB ARG 35 17.723 6.835 0.686
107 2HB ARG 35 1HB ARG 35 18.857 7.975 1.375
108 1HG ARG 35 2HG ARG 35 20.122 8.089 -0.752
109 2HG ARG 35 1HG ARG 35 19.098 6.851 -1.453
110 1HD ARG 35 2HD ARG 35 18.389 9.117 -2.211
111 2HD ARG 35 1HD ARG 35 17.120 8.339 -1.298
112 HE ARG 35 HE ARG 35 17.777 9.665 0.684
113 1HH1 ARG 35 1HH2 ARG 35 18.879 10.829 -2.408
114 2HH1 ARG 35 2HH2 ARG 35 19.083 12.437 -1.874
115 1HH2 ARG 35 2HH1 ARG 35 18.015 11.748 1.402
116 2HH2 ARG 35 1HH1 ARG 35 18.561 12.974 0.349
117 H TYR 36 H TYR 36 20.717 4.135 2.448
118 HA TYR 36 HA TYR 36 19.730 3.004 4.388
119 1HB TYR 36 2HB TYR 36 21.678 5.243 4.948
120 2HB TYR 36 1HB TYR 36 21.086 4.287 6.282
121 HD1 TYR 36 HD1 TYR 36 21.142 1.658 5.887
122 HD2 TYR 36 HD2 TYR 36 23.639 4.439 3.849
123 HE1 TYR 36 HE1 TYR 36 22.748 -0.120 5.421
124 HE2 TYR 36 HE2 TYR 36 25.240 2.655 3.389
125 HH TYR 36 HH TYR 36 25.416 0.286 3.289
126 1HT TYR 36 1HT TYR 36 17.363 3.729 4.248
127 2HT TYR 36 2HT TYR 36 16.823 4.732 5.517
Start of MODEL 17
1 HN AYA 24 H ALA 24 -0.152 -3.048 0.950
2 HA AYA 24 HA ALA 24 2.239 -1.730 -0.120
3 1HB AYA 24 1HB ALA 24 0.172 -0.434 0.488
4 2HB AYA 24 2HB ALA 24 1.546 0.108 1.439
5 3HB AYA 24 3HB ALA 24 0.350 -0.947 2.163
6 1HM AYA 24 1HA ALA 24 -0.872 -4.931 0.141
7 2HM AYA 24 2HA ALA 24 0.420 -6.127 0.012
8 3HM AYA 24 3HA ALA 24 -0.167 -5.303 -1.432
9 H ARG 25 H ARG 25 3.464 -3.656 0.565
10 HA ARG 25 HA ARG 25 4.601 -3.241 3.308
11 1HB ARG 25 2HB ARG 25 5.050 -5.723 3.373
12 2HB ARG 25 1HB ARG 25 3.359 -5.282 3.346
13 1HG ARG 25 2HG ARG 25 3.220 -5.830 0.903
14 2HG ARG 25 1HG ARG 25 4.926 -6.228 0.881
15 1HD ARG 25 2HD ARG 25 3.631 -8.286 1.036
16 2HD ARG 25 1HD ARG 25 4.587 -8.068 2.479
17 HE ARG 25 HE ARG 25 2.588 -7.188 3.629
18 1HH1 ARG 25 1HH2 ARG 25 2.060 -9.062 0.748
19 2HH1 ARG 25 2HH2 ARG 25 0.476 -9.529 1.179
20 1HH2 ARG 25 2HH1 ARG 25 0.532 -7.756 4.214
21 2HH2 ARG 25 1HH1 ARG 25 -0.418 -8.751 3.203
22 H HIS 26 H HIS 26 5.496 -4.584 0.135
23 HA HIS 26 HA HIS 26 8.346 -3.950 0.760
24 1HB HIS 26 2HB HIS 26 7.816 -6.327 0.302
25 2HB HIS 26 1HB HIS 26 7.169 -5.889 -1.273
26 HD1 HIS 26 HD1 HIS 26 9.068 -4.483 -2.740
27 HD2 HIS 26 HD2 HIS 26 10.355 -7.131 0.196
28 HE1 HIS 26 HE1 HIS 26 11.460 -5.130 -3.200
29 H TYR 27 H TYR 27 7.946 -1.779 0.271
30 HA TYR 27 HA TYR 27 8.497 -1.079 -2.556
31 1HB TYR 27 2HB TYR 27 5.962 -0.844 -2.174
32 2HB TYR 27 1HB TYR 27 6.262 0.373 -0.957
33 HD1 TYR 27 HD1 TYR 27 8.059 2.311 -1.872
34 HD2 TYR 27 HD2 TYR 27 5.496 -0.078 -4.319
35 HE1 TYR 27 HE1 TYR 27 8.215 3.954 -3.666
36 HE2 TYR 27 HE2 TYR 27 5.666 1.590 -6.101
37 HH TYR 27 HH TYR 27 7.575 3.404 -6.696
38 H LYS 28 H LYS 28 7.673 0.412 0.493
39 HA LYS 28 HA LYS 28 9.316 2.583 0.582
40 1HB LYS 28 2HB LYS 28 7.613 1.999 2.285
41 2HB LYS 28 1HB LYS 28 8.581 0.661 2.848
42 1HG LYS 28 2HG LYS 28 8.621 2.538 4.409
43 2HG LYS 28 1HG LYS 28 10.219 2.207 3.820
44 1HD LYS 28 2HD LYS 28 8.442 4.365 2.588
45 2HD LYS 28 1HD LYS 28 9.408 4.690 4.008
46 1HE LYS 28 2HE LYS 28 10.510 3.830 1.285
47 2HE LYS 28 1HE LYS 28 10.660 5.383 2.062
48 HZ LYS 28 HZ LYS 28 11.731 2.933 3.388
49 H ASN 29 H ASN 29 10.108 -0.603 1.731
50 HA ASN 29 HA ASN 29 12.719 -0.302 2.562
51 1HB ASN 29 2HB ASN 29 12.933 -2.830 2.024
52 2HB ASN 29 1HB ASN 29 11.496 -2.422 2.951
53 1HD2 ASN 29 1HD2 ASN 29 12.374 -4.303 0.315
54 2HD2 ASN 29 2HD2 ASN 29 10.900 -4.234 -0.509
55 H LEU 30 H LEU 30 11.974 0.307 -0.392
56 HA LEU 30 HA LEU 30 14.612 -0.398 -1.699
57 1HB LEU 30 2HB LEU 30 12.151 0.842 -3.011
58 2HB LEU 30 1HB LEU 30 13.461 -0.026 -3.793
59 HG LEU 30 HG LEU 30 11.570 -1.214 -1.753
60 1HD1 LEU 30 1HD1 LEU 30 10.535 -2.364 -3.729
61 2HD1 LEU 30 2HD1 LEU 30 11.605 -1.457 -4.795
62 3HD1 LEU 30 3HD1 LEU 30 10.400 -0.615 -3.836
63 1HD2 LEU 30 1HD2 LEU 30 12.497 -3.402 -2.548
64 2HD2 LEU 30 2HD2 LEU 30 13.750 -2.401 -1.860
65 3HD2 LEU 30 3HD2 LEU 30 13.608 -2.539 -3.604
66 H LEU 31 H LEU 31 12.296 2.220 -1.359
67 HA LEU 31 HA LEU 31 14.001 4.351 -2.165
68 1HB LEU 31 2HB LEU 31 11.902 4.370 0.036
69 2HB LEU 31 1HB LEU 31 12.532 5.798 -0.734
70 HG LEU 31 HG LEU 31 10.890 3.610 -2.144
71 1HD1 LEU 31 1HD1 LEU 31 10.247 6.500 -1.350
72 2HD1 LEU 31 2HD1 LEU 31 9.576 5.077 -0.583
73 3HD1 LEU 31 3HD1 LEU 31 9.166 5.450 -2.247
74 1HD2 LEU 31 1HD2 LEU 31 10.908 5.196 -4.077
75 2HD2 LEU 31 2HD2 LEU 31 12.542 4.718 -3.696
76 3HD2 LEU 31 3HD2 LEU 31 11.953 6.293 -3.191
77 H GLU 32 H GLU 32 13.674 2.478 0.688
78 HA GLU 32 HA GLU 32 15.691 4.174 2.123
79 1HB GLU 32 2HB GLU 32 13.778 1.996 2.947
80 2HB GLU 32 1HB GLU 32 15.231 2.182 3.921
81 1HG GLU 32 2HG GLU 32 13.509 3.581 4.900
82 2HG GLU 32 1HG GLU 32 14.686 4.646 4.172
83 H ARG 33 H ARG 33 16.535 2.699 -0.172
84 HA ARG 33 HA ARG 33 18.574 0.809 0.964
85 1HB ARG 33 2HB ARG 33 17.518 1.226 -1.869
86 2HB ARG 33 1HB ARG 33 18.697 0.021 -1.479
87 1HG ARG 33 2HG ARG 33 15.949 0.101 -0.328
88 2HG ARG 33 1HG ARG 33 16.515 -0.993 -1.579
89 1HD ARG 33 2HD ARG 33 16.603 -2.312 0.300
90 2HD ARG 33 1HD ARG 33 18.268 -1.745 0.284
91 HE ARG 33 HE ARG 33 17.465 0.077 1.928
92 1HH1 ARG 33 1HH2 ARG 33 15.844 -2.959 1.775
93 2HH1 ARG 33 2HH2 ARG 33 15.341 -2.916 3.408
94 1HH2 ARG 33 2HH1 ARG 33 16.793 0.252 3.925
95 2HH2 ARG 33 1HH1 ARG 33 15.852 -0.992 4.678
96 H GLN 34 H GLN 34 18.604 3.152 -1.631
97 HA GLN 34 HA GLN 34 21.059 3.696 -2.359
98 1HB GLN 34 2HB GLN 34 19.363 5.956 -1.147
99 2HB GLN 34 1HB GLN 34 20.630 6.138 -2.339
100 1HG GLN 34 2HG GLN 34 19.338 5.205 -4.079
101 2HG GLN 34 1HG GLN 34 18.230 4.377 -2.999
102 1HE2 GLN 34 1HE2 GLN 34 16.282 5.470 -2.623
103 2HE2 GLN 34 2HE2 GLN 34 16.072 7.131 -2.897
104 H ARG 35 H ARG 35 20.036 5.216 0.587
105 HA ARG 35 HA ARG 35 22.610 4.657 1.896
106 1HB ARG 35 2HB ARG 35 22.692 6.970 0.656
107 2HB ARG 35 1HB ARG 35 21.495 7.526 1.816
108 1HG ARG 35 2HG ARG 35 23.060 7.012 3.698
109 2HG ARG 35 1HG ARG 35 24.241 6.392 2.557
110 1HD ARG 35 2HD ARG 35 24.388 8.656 1.490
111 2HD ARG 35 1HD ARG 35 23.253 9.288 2.669
112 HE ARG 35 HE ARG 35 24.888 8.597 4.448
113 1HH1 ARG 35 1HH2 ARG 35 26.074 9.303 1.255
114 2HH1 ARG 35 2HH2 ARG 35 27.650 9.700 1.779
115 1HH2 ARG 35 2HH1 ARG 35 26.909 9.106 5.164
116 2HH2 ARG 35 1HH1 ARG 35 28.140 9.587 4.077
117 H TYR 36 H TYR 36 20.404 3.376 2.368
118 HA TYR 36 HA TYR 36 18.967 2.644 4.051
119 1HB TYR 36 2HB TYR 36 20.661 2.909 5.702
120 2HB TYR 36 1HB TYR 36 20.664 4.645 5.589
121 HD1 TYR 36 HD1 TYR 36 19.222 5.995 6.886
122 HD2 TYR 36 HD2 TYR 36 18.705 1.765 6.925
123 HE1 TYR 36 HE1 TYR 36 17.713 6.203 8.791
124 HE2 TYR 36 HE2 TYR 36 17.183 1.982 8.844
125 HH TYR 36 HH TYR 36 15.927 4.971 9.907
126 1HT TYR 36 1HT TYR 36 18.940 6.240 4.232
127 2HT TYR 36 2HT TYR 36 17.242 6.355 4.278
Start of MODEL 18
1 HN AYA 24 H ALA 24 2.216 0.491 0.990
2 HA AYA 24 HA ALA 24 5.080 0.210 0.515
3 1HB AYA 24 1HB ALA 24 4.155 2.187 1.729
4 2HB AYA 24 2HB ALA 24 5.272 1.299 2.754
5 3HB AYA 24 3HB ALA 24 3.550 1.119 2.992
6 1HM AYA 24 1HA ALA 24 1.486 -0.154 -2.125
7 2HM AYA 24 2HA ALA 24 0.753 -0.064 -0.525
8 3HM AYA 24 3HA ALA 24 1.084 -1.638 -1.264
9 H ARG 25 H ARG 25 4.642 -2.144 0.243
10 HA ARG 25 HA ARG 25 4.777 -3.630 2.850
11 1HB ARG 25 2HB ARG 25 4.242 -4.668 -0.002
12 2HB ARG 25 1HB ARG 25 4.175 -5.629 1.465
13 1HG ARG 25 2HG ARG 25 2.269 -4.360 2.297
14 2HG ARG 25 1HG ARG 25 2.426 -3.159 1.029
15 1HD ARG 25 2HD ARG 25 1.917 -4.928 -0.694
16 2HD ARG 25 1HD ARG 25 1.738 -6.082 0.627
17 HE ARG 25 HE ARG 25 0.090 -3.588 0.525
18 1HH1 ARG 25 1HH2 ARG 25 0.245 -7.042 0.547
19 2HH1 ARG 25 2HH2 ARG 25 -1.423 -7.271 0.806
20 1HH2 ARG 25 2HH1 ARG 25 -2.113 -3.820 0.854
21 2HH2 ARG 25 1HH1 ARG 25 -2.814 -5.373 0.964
22 H HIS 26 H HIS 26 6.090 -4.303 -0.400
23 HA HIS 26 HA HIS 26 8.793 -4.536 0.878
24 1HB HIS 26 2HB HIS 26 7.694 -5.958 -1.595
25 2HB HIS 26 1HB HIS 26 9.325 -6.113 -0.993
26 HD1 HIS 26 HD1 HIS 26 8.138 -8.660 -1.103
27 HD2 HIS 26 HD2 HIS 26 7.330 -6.206 2.154
28 HE1 HIS 26 HE1 HIS 26 7.353 -10.060 0.805
29 H TYR 27 H TYR 27 7.409 -2.238 -0.226
30 HA TYR 27 HA TYR 27 9.239 -1.500 -2.500
31 1HB TYR 27 2HB TYR 27 6.528 -1.335 -2.564
32 2HB TYR 27 1HB TYR 27 6.835 0.200 -1.775
33 HD1 TYR 27 HD1 TYR 27 8.497 1.849 -2.933
34 HD2 TYR 27 HD2 TYR 27 6.889 -1.581 -4.883
35 HE1 TYR 27 HE1 TYR 27 9.090 2.790 -5.129
36 HE2 TYR 27 HE2 TYR 27 7.488 -0.633 -7.055
37 HH TYR 27 HH TYR 27 8.087 1.382 -8.134
38 H LYS 28 H LYS 28 7.952 -0.510 0.588
39 HA LYS 28 HA LYS 28 9.153 1.993 0.969
40 1HB LYS 28 2HB LYS 28 7.562 0.799 2.618
41 2HB LYS 28 1HB LYS 28 8.907 -0.216 3.092
42 1HG LYS 28 2HG LYS 28 8.887 1.502 4.719
43 2HG LYS 28 1HG LYS 28 10.191 1.959 3.649
44 1HD LYS 28 2HD LYS 28 8.367 3.395 2.403
45 2HD LYS 28 1HD LYS 28 7.408 3.135 3.843
46 1HE LYS 28 2HE LYS 28 8.656 5.220 4.111
47 2HE LYS 28 1HE LYS 28 9.380 4.046 5.207
48 HZ LYS 28 HZ LYS 28 10.453 4.548 2.462
49 H ASN 29 H ASN 29 10.432 -1.208 1.424
50 HA ASN 29 HA ASN 29 13.031 -0.342 2.303
51 1HB ASN 29 2HB ASN 29 13.699 -2.714 2.208
52 2HB ASN 29 1HB ASN 29 12.038 -2.718 2.771
53 1HD2 ASN 29 1HD2 ASN 29 10.630 -4.066 1.544
54 2HD2 ASN 29 2HD2 ASN 29 10.994 -4.624 -0.027
55 H LEU 30 H LEU 30 11.796 -0.097 -0.559
56 HA LEU 30 HA LEU 30 14.377 -0.487 -1.998
57 1HB LEU 30 2HB LEU 30 12.764 -1.475 -3.402
58 2HB LEU 30 1HB LEU 30 11.452 -0.527 -2.770
59 HG LEU 30 HG LEU 30 12.219 1.422 -3.987
60 1HD1 LEU 30 1HD1 LEU 30 14.693 0.862 -4.253
61 2HD1 LEU 30 2HD1 LEU 30 13.967 1.141 -5.820
62 3HD1 LEU 30 3HD1 LEU 30 14.255 -0.501 -5.269
63 1HD2 LEU 30 1HD2 LEU 30 11.827 -1.050 -5.713
64 2HD2 LEU 30 2HD2 LEU 30 11.593 0.601 -6.265
65 3HD2 LEU 30 3HD2 LEU 30 10.569 -0.052 -4.999
66 H LEU 31 H LEU 31 11.733 1.874 -1.421
67 HA LEU 31 HA LEU 31 13.270 4.081 -2.515
68 1HB LEU 31 2HB LEU 31 11.078 4.129 -0.380
69 2HB LEU 31 1HB LEU 31 11.676 5.536 -1.236
70 HG LEU 31 HG LEU 31 10.278 3.135 -2.521
71 1HD1 LEU 31 1HD1 LEU 31 8.448 4.779 -2.950
72 2HD1 LEU 31 2HD1 LEU 31 9.359 6.022 -2.107
73 3HD1 LEU 31 3HD1 LEU 31 8.751 4.628 -1.230
74 1HD2 LEU 31 1HD2 LEU 31 10.307 4.516 -4.600
75 2HD2 LEU 31 2HD2 LEU 31 11.941 4.178 -4.094
76 3HD2 LEU 31 3HD2 LEU 31 11.233 5.757 -3.789
77 H GLU 32 H GLU 32 13.095 2.571 0.585
78 HA GLU 32 HA GLU 32 15.083 4.510 1.695
79 1HB GLU 32 2HB GLU 32 13.252 2.435 2.999
80 2HB GLU 32 1HB GLU 32 14.414 3.388 3.900
81 1HG GLU 32 2HG GLU 32 13.347 5.468 3.289
82 2HG GLU 32 1HG GLU 32 12.385 4.711 2.043
83 H ARG 33 H ARG 33 15.947 2.602 -0.236
84 HA ARG 33 HA ARG 33 17.645 0.785 1.442
85 1HB ARG 33 2HB ARG 33 18.165 -0.446 -0.635
86 2HB ARG 33 1HB ARG 33 16.471 -0.337 -0.399
87 1HG ARG 33 2HG ARG 33 16.298 0.251 -2.540
88 2HG ARG 33 1HG ARG 33 16.872 1.822 -2.107
89 1HD ARG 33 2HD ARG 33 19.144 1.273 -2.686
90 2HD ARG 33 1HD ARG 33 18.810 -0.425 -2.876
91 HE ARG 33 HE ARG 33 18.086 1.757 -4.733
92 1HH1 ARG 33 1HH2 ARG 33 17.529 -1.494 -3.748
93 2HH1 ARG 33 2HH2 ARG 33 16.949 -2.034 -5.268
94 1HH2 ARG 33 2HH1 ARG 33 17.296 1.144 -6.741
95 2HH2 ARG 33 1HH1 ARG 33 16.790 -0.461 -7.034
96 H GLN 34 H GLN 34 17.809 2.994 -1.174
97 HA GLN 34 HA GLN 34 20.165 3.473 -2.116
98 1HB GLN 34 2HB GLN 34 18.161 5.011 -2.298
99 2HB GLN 34 1HB GLN 34 18.597 5.730 -0.768
100 1HG GLN 34 2HG GLN 34 20.889 6.309 -1.831
101 2HG GLN 34 1HG GLN 34 20.194 5.804 -3.362
102 1HE2 GLN 34 1HE2 GLN 34 19.099 7.485 -4.482
103 2HE2 GLN 34 2HE2 GLN 34 18.509 8.881 -3.724
104 H ARG 35 H ARG 35 19.508 5.078 0.865
105 HA ARG 35 HA ARG 35 22.326 4.767 1.737
106 1HB ARG 35 2HB ARG 35 20.563 7.258 1.746
107 2HB ARG 35 1HB ARG 35 21.992 7.145 2.750
108 1HG ARG 35 2HG ARG 35 23.473 7.258 0.963
109 2HG ARG 35 1HG ARG 35 22.408 6.432 -0.140
110 1HD ARG 35 2HD ARG 35 22.813 8.941 -0.581
111 2HD ARG 35 1HD ARG 35 21.156 8.395 -0.604
112 HE ARG 35 HE ARG 35 22.475 9.654 1.777
113 1HH1 ARG 35 1HH2 ARG 35 19.679 9.300 -0.278
114 2HH1 ARG 35 2HH2 ARG 35 18.740 10.422 0.583
115 1HH2 ARG 35 2HH1 ARG 35 21.259 11.068 2.960
116 2HH2 ARG 35 1HH1 ARG 35 19.664 11.465 2.504
117 H TYR 36 H TYR 36 20.390 3.131 2.246
118 HA TYR 36 HA TYR 36 19.568 1.821 3.961
119 1HB TYR 36 2HB TYR 36 21.534 3.113 5.340
120 2HB TYR 36 1HB TYR 36 20.171 3.948 6.062
121 HD1 TYR 36 HD1 TYR 36 21.190 0.476 5.119
122 HD2 TYR 36 HD2 TYR 36 19.236 2.922 8.017
123 HE1 TYR 36 HE1 TYR 36 20.830 -1.484 6.535
124 HE2 TYR 36 HE2 TYR 36 18.887 0.940 9.427
125 HH TYR 36 HH TYR 36 20.494 -1.772 9.212
126 1HT TYR 36 1HT TYR 36 17.877 2.404 6.026
127 2HT TYR 36 2HT TYR 36 16.615 3.418 5.499
Start of MODEL 19
1 HN AYA 24 H ALA 24 2.775 -1.494 2.722
2 HA AYA 24 HA ALA 24 5.230 -0.463 1.476
3 1HB AYA 24 1HB ALA 24 5.514 0.702 3.672
4 2HB AYA 24 2HB ALA 24 4.166 -0.201 4.332
5 3HB AYA 24 3HB ALA 24 3.890 0.973 3.050
6 1HM AYA 24 1HA ALA 24 1.308 -2.576 1.499
7 2HM AYA 24 2HA ALA 24 2.074 -3.792 0.474
8 3HM AYA 24 3HA ALA 24 1.518 -2.274 -0.227
9 H ARG 25 H ARG 25 5.437 -2.981 1.259
10 HA ARG 25 HA ARG 25 7.321 -3.916 3.417
11 1HB ARG 25 2HB ARG 25 5.252 -5.360 3.322
12 2HB ARG 25 1HB ARG 25 5.510 -5.639 1.608
13 1HG ARG 25 2HG ARG 25 7.628 -6.803 2.040
14 2HG ARG 25 1HG ARG 25 7.580 -6.373 3.734
15 1HD ARG 25 2HD ARG 25 5.533 -7.860 4.028
16 2HD ARG 25 1HD ARG 25 5.582 -8.196 2.322
17 HE ARG 25 HE ARG 25 7.549 -9.485 2.556
18 1HH1 ARG 25 1HH2 ARG 25 6.534 -8.138 5.557
19 2HH1 ARG 25 2HH2 ARG 25 7.488 -9.171 6.533
20 1HH2 ARG 25 2HH1 ARG 25 8.821 -10.878 3.753
21 2HH2 ARG 25 1HH1 ARG 25 8.847 -10.770 5.457
22 H HIS 26 H HIS 26 6.493 -4.376 -0.004
23 HA HIS 26 HA HIS 26 9.422 -4.440 -0.634
24 1HB HIS 26 2HB HIS 26 8.736 -5.844 -2.609
25 2HB HIS 26 1HB HIS 26 8.299 -6.615 -1.091
26 HD1 HIS 26 HD1 HIS 26 6.699 -4.318 -3.622
27 HD2 HIS 26 HD2 HIS 26 5.723 -7.335 -0.935
28 HE1 HIS 26 HE1 HIS 26 4.244 -4.863 -3.842
29 H TYR 27 H TYR 27 8.080 -2.057 -0.343
30 HA TYR 27 HA TYR 27 8.309 -0.968 -3.114
31 1HB TYR 27 2HB TYR 27 5.796 -1.474 -2.170
32 2HB TYR 27 1HB TYR 27 5.991 0.066 -1.386
33 HD1 TYR 27 HD1 TYR 27 6.996 2.018 -3.035
34 HD2 TYR 27 HD2 TYR 27 4.882 -1.457 -4.311
35 HE1 TYR 27 HE1 TYR 27 6.398 3.132 -5.131
36 HE2 TYR 27 HE2 TYR 27 4.291 -0.329 -6.399
37 HH TYR 27 HH TYR 27 4.648 1.519 -7.713
38 H LYS 28 H LYS 28 7.224 0.326 -0.047
39 HA LYS 28 HA LYS 28 8.708 2.680 0.000
40 1HB LYS 28 2HB LYS 28 6.897 2.287 1.581
41 2HB LYS 28 1HB LYS 28 7.688 0.879 2.254
42 1HG LYS 28 2HG LYS 28 9.263 3.416 2.438
43 2HG LYS 28 1HG LYS 28 7.779 3.396 3.354
44 1HD LYS 28 2HD LYS 28 8.425 1.377 4.544
45 2HD LYS 28 1HD LYS 28 9.848 1.162 3.542
46 1HE LYS 28 2HE LYS 28 9.383 3.654 5.216
47 2HE LYS 28 1HE LYS 28 10.317 2.265 5.761
48 HZ LYS 28 HZ LYS 28 10.989 3.686 3.218
49 H ASN 29 H ASN 29 9.643 -0.390 1.427
50 HA ASN 29 HA ASN 29 12.177 0.431 2.372
51 1HB ASN 29 2HB ASN 29 11.066 -1.675 3.125
52 2HB ASN 29 1HB ASN 29 11.304 -2.375 1.530
53 1HD2 ASN 29 1HD2 ASN 29 12.846 -4.016 1.977
54 2HD2 ASN 29 2HD2 ASN 29 14.347 -3.713 2.722
55 H LEU 30 H LEU 30 11.628 0.719 -0.631
56 HA LEU 30 HA LEU 30 14.301 -0.238 -1.741
57 1HB LEU 30 2HB LEU 30 11.945 1.101 -3.196
58 2HB LEU 30 1HB LEU 30 13.312 0.296 -3.945
59 HG LEU 30 HG LEU 30 11.366 -1.026 -2.059
60 1HD1 LEU 30 1HD1 LEU 30 10.339 -2.044 -4.163
61 2HD1 LEU 30 2HD1 LEU 30 11.437 -1.084 -5.142
62 3HD1 LEU 30 3HD1 LEU 30 10.207 -0.298 -4.170
63 1HD2 LEU 30 1HD2 LEU 30 12.299 -3.161 -3.044
64 2HD2 LEU 30 2HD2 LEU 30 13.542 -2.224 -2.243
65 3HD2 LEU 30 3HD2 LEU 30 13.428 -2.218 -3.999
66 H LEU 31 H LEU 31 12.083 2.432 -1.325
67 HA LEU 31 HA LEU 31 13.855 4.536 -2.096
68 1HB LEU 31 2HB LEU 31 11.711 4.577 0.097
69 2HB LEU 31 1HB LEU 31 12.354 5.992 -0.709
70 HG LEU 31 HG LEU 31 10.747 3.766 -2.080
71 1HD1 LEU 31 1HD1 LEU 31 9.966 6.626 -1.344
72 2HD1 LEU 31 2HD1 LEU 31 9.371 5.176 -0.557
73 3HD1 LEU 31 3HD1 LEU 31 8.963 5.494 -2.232
74 1HD2 LEU 31 1HD2 LEU 31 11.732 6.446 -3.166
75 2HD2 LEU 31 2HD2 LEU 31 10.719 5.303 -4.031
76 3HD2 LEU 31 3HD2 LEU 31 12.369 4.879 -3.629
77 H GLU 32 H GLU 32 13.549 2.462 0.590
78 HA GLU 32 HA GLU 32 15.606 4.010 2.154
79 1HB GLU 32 2HB GLU 32 13.714 1.758 2.914
80 2HB GLU 32 1HB GLU 32 14.950 2.338 4.002
81 1HG GLU 32 2HG GLU 32 13.978 4.552 4.116
82 2HG GLU 32 1HG GLU 32 12.908 4.231 2.754
83 H ARG 33 H ARG 33 16.301 2.361 -0.206
84 HA ARG 33 HA ARG 33 18.022 0.293 1.092
85 1HB ARG 33 2HB ARG 33 17.178 0.799 -1.804
86 2HB ARG 33 1HB ARG 33 18.406 -0.366 -1.465
87 1HG ARG 33 2HG ARG 33 15.681 -0.373 -0.438
88 2HG ARG 33 1HG ARG 33 16.241 -1.411 -1.731
89 1HD ARG 33 2HD ARG 33 16.471 -2.938 0.016
90 2HD ARG 33 1HD ARG 33 17.996 -2.104 0.269
91 HE ARG 33 HE ARG 33 15.424 -1.308 1.612
92 1HH1 ARG 33 1HH2 ARG 33 18.830 -2.046 1.895
93 2HH1 ARG 33 2HH2 ARG 33 18.904 -1.653 3.556
94 1HH2 ARG 33 2HH1 ARG 33 15.478 -0.838 3.699
95 2HH2 ARG 33 1HH1 ARG 33 16.900 -0.925 4.644
96 H GLN 34 H GLN 34 18.520 2.540 -1.630
97 HA GLN 34 HA GLN 34 21.324 2.620 -1.471
98 1HB GLN 34 2HB GLN 34 19.435 4.940 -2.191
99 2HB GLN 34 1HB GLN 34 21.162 4.968 -2.454
100 1HG GLN 34 2HG GLN 34 20.852 2.820 -3.868
101 2HG GLN 34 1HG GLN 34 19.128 3.156 -3.828
102 1HE2 GLN 34 1HE2 GLN 34 18.518 4.276 -5.742
103 2HE2 GLN 34 2HE2 GLN 34 19.511 5.423 -6.514
104 H ARG 35 H ARG 35 19.005 4.213 0.523
105 HA ARG 35 HA ARG 35 21.177 5.286 2.212
106 1HB ARG 35 2HB ARG 35 18.450 6.495 1.647
107 2HB ARG 35 1HB ARG 35 19.608 7.154 2.777
108 1HG ARG 35 2HG ARG 35 20.795 8.153 1.132
109 2HG ARG 35 1HG ARG 35 21.023 6.657 0.274
110 1HD ARG 35 2HD ARG 35 19.819 8.113 -1.281
111 2HD ARG 35 1HD ARG 35 18.678 6.947 -0.684
112 HE ARG 35 HE ARG 35 17.548 8.581 0.523
113 1HH1 ARG 35 1HH2 ARG 35 20.578 9.677 -0.585
114 2HH1 ARG 35 2HH2 ARG 35 20.338 11.356 -0.295
115 1HH2 ARG 35 2HH1 ARG 35 17.091 10.765 0.993
116 2HH2 ARG 35 1HH1 ARG 35 18.256 11.975 0.676
117 H TYR 36 H TYR 36 20.921 3.130 3.070
118 HA TYR 36 HA TYR 36 19.590 1.538 4.441
119 1HB TYR 36 2HB TYR 36 21.903 2.025 5.108
120 2HB TYR 36 1HB TYR 36 21.383 3.462 5.955
121 HD1 TYR 36 HD1 TYR 36 20.388 3.323 8.177
122 HD2 TYR 36 HD2 TYR 36 21.473 -0.228 6.094
123 HE1 TYR 36 HE1 TYR 36 20.180 2.052 10.249
124 HE2 TYR 36 HE2 TYR 36 21.256 -1.501 8.179
125 HH TYR 36 HH TYR 36 21.011 -0.041 11.234
126 1HT TYR 36 1HT TYR 36 17.270 2.191 4.374
127 2HT TYR 36 2HT TYR 36 16.619 3.011 5.724
Start of MODEL 20
1 HN AYA 24 H ALA 24 1.285 -3.948 -1.259
2 HA AYA 24 HA ALA 24 3.033 -2.031 0.131
3 1HB AYA 24 1HB ALA 24 0.601 -3.610 1.110
4 2HB AYA 24 2HB ALA 24 0.541 -1.976 0.460
5 3HB AYA 24 3HB ALA 24 1.363 -2.298 1.978
6 1HM AYA 24 1HA ALA 24 3.324 -4.654 -3.765
7 2HM AYA 24 2HA ALA 24 2.535 -3.139 -4.172
8 3HM AYA 24 3HA ALA 24 1.613 -4.422 -3.378
9 H ARG 25 H ARG 25 4.691 -3.708 -0.425
10 HA ARG 25 HA ARG 25 5.146 -5.447 1.975
11 1HB ARG 25 2HB ARG 25 5.760 -6.152 -0.937
12 2HB ARG 25 1HB ARG 25 6.300 -7.091 0.447
13 1HG ARG 25 2HG ARG 25 3.849 -7.346 1.128
14 2HG ARG 25 1HG ARG 25 3.399 -6.552 -0.368
15 1HD ARG 25 2HD ARG 25 4.656 -8.371 -1.651
16 2HD ARG 25 1HD ARG 25 4.981 -9.150 -0.127
17 HE ARG 25 HE ARG 25 2.602 -9.504 0.235
18 1HH1 ARG 25 1HH2 ARG 25 3.507 -8.586 -2.980
19 2HH1 ARG 25 2HH2 ARG 25 2.110 -9.234 -3.713
20 1HH2 ARG 25 2HH1 ARG 25 0.767 -10.355 -0.664
21 2HH2 ARG 25 1HH1 ARG 25 0.495 -10.277 -2.351
22 H HIS 26 H HIS 26 6.984 -4.343 -0.891
23 HA HIS 26 HA HIS 26 9.084 -3.371 0.977
24 1HB HIS 26 2HB HIS 26 10.752 -4.119 -0.867
25 2HB HIS 26 1HB HIS 26 10.001 -5.410 0.055
26 HD1 HIS 26 HD1 HIS 26 8.092 -6.726 -1.190
27 HD2 HIS 26 HD2 HIS 26 10.162 -3.973 -3.509
28 HE1 HIS 26 HE1 HIS 26 7.594 -7.152 -3.607
29 H TYR 27 H TYR 27 7.944 -1.297 0.641
30 HA TYR 27 HA TYR 27 8.729 -0.025 -1.974
31 1HB TYR 27 2HB TYR 27 6.218 -0.233 -1.343
32 2HB TYR 27 1HB TYR 27 6.509 0.976 -0.115
33 HD1 TYR 27 HD1 TYR 27 7.195 0.377 -3.763
34 HD2 TYR 27 HD2 TYR 27 6.207 3.241 -0.759
35 HE1 TYR 27 HE1 TYR 27 6.967 2.118 -5.481
36 HE2 TYR 27 HE2 TYR 27 5.978 4.953 -2.481
37 HH TYR 27 HH TYR 27 6.974 5.293 -4.849
38 H LYS 28 H LYS 28 8.015 1.050 1.303
39 HA LYS 28 HA LYS 28 9.654 3.352 1.285
40 1HB LYS 28 2HB LYS 28 7.954 2.690 3.119
41 2HB LYS 28 1HB LYS 28 9.144 1.564 3.732
42 1HG LYS 28 2HG LYS 28 9.472 3.514 5.031
43 2HG LYS 28 1HG LYS 28 10.765 3.596 3.854
44 1HD LYS 28 2HD LYS 28 9.023 5.024 2.431
45 2HD LYS 28 1HD LYS 28 8.168 5.153 3.947
46 1HE LYS 28 2HE LYS 28 9.655 7.065 3.751
47 2HE LYS 28 1HE LYS 28 10.323 6.017 5.000
48 HZ LYS 28 HZ LYS 28 11.238 5.954 2.152
49 H ASN 29 H ASN 29 10.350 0.117 2.401
50 HA ASN 29 HA ASN 29 13.113 0.619 2.966
51 1HB ASN 29 2HB ASN 29 13.212 -1.943 3.190
52 2HB ASN 29 1HB ASN 29 11.913 -1.235 4.134
53 1HD2 ASN 29 1HD2 ASN 29 12.363 -3.885 2.255
54 2HD2 ASN 29 2HD2 ASN 29 10.814 -3.988 1.566
55 H LEU 30 H LEU 30 11.781 0.640 0.170
56 HA LEU 30 HA LEU 30 14.026 -0.655 -1.309
57 1HB LEU 30 2HB LEU 30 12.148 -1.404 -2.497
58 2HB LEU 30 1HB LEU 30 11.106 -0.146 -1.923
59 HG LEU 30 HG LEU 30 12.210 1.444 -3.487
60 1HD1 LEU 30 1HD1 LEU 30 13.691 0.515 -5.296
61 2HD1 LEU 30 2HD1 LEU 30 13.626 -1.066 -4.534
62 3HD1 LEU 30 3HD1 LEU 30 14.429 0.280 -3.734
63 1HD2 LEU 30 1HD2 LEU 30 10.174 0.341 -4.200
64 2HD2 LEU 30 2HD2 LEU 30 11.085 -1.033 -4.817
65 3HD2 LEU 30 3HD2 LEU 30 11.248 0.548 -5.576
66 H LEU 31 H LEU 31 11.907 2.122 -1.408
67 HA LEU 31 HA LEU 31 13.494 3.987 -2.754
68 1HB LEU 31 2HB LEU 31 11.009 4.058 -1.788
69 2HB LEU 31 1HB LEU 31 11.737 4.820 -0.397
70 HG LEU 31 HG LEU 31 12.215 5.760 -3.231
71 1HD1 LEU 31 1HD1 LEU 31 10.432 7.500 -2.794
72 2HD1 LEU 31 2HD1 LEU 31 10.077 6.729 -1.258
73 3HD1 LEU 31 3HD1 LEU 31 9.779 5.872 -2.762
74 1HD2 LEU 31 1HD2 LEU 31 12.443 7.228 -0.530
75 2HD2 LEU 31 2HD2 LEU 31 12.762 7.956 -2.091
76 3HD2 LEU 31 3HD2 LEU 31 13.809 6.694 -1.496
77 H GLU 32 H GLU 32 13.373 3.224 0.590
78 HA GLU 32 HA GLU 32 15.780 4.910 1.194
79 1HB GLU 32 2HB GLU 32 13.740 3.545 3.021
80 2HB GLU 32 1HB GLU 32 15.111 4.470 3.599
81 1HG GLU 32 2HG GLU 32 14.282 6.519 2.681
82 2HG GLU 32 1HG GLU 32 13.159 5.696 1.614
83 H ARG 33 H ARG 33 15.994 2.511 -0.282
84 HA ARG 33 HA ARG 33 17.435 0.706 1.632
85 1HB ARG 33 2HB ARG 33 17.054 -1.042 0.097
86 2HB ARG 33 1HB ARG 33 15.700 -0.023 -0.238
87 1HG ARG 33 2HG ARG 33 16.252 -0.591 -2.341
88 2HG ARG 33 1HG ARG 33 17.014 0.953 -2.247
89 1HD ARG 33 2HD ARG 33 19.225 -0.133 -1.707
90 2HD ARG 33 1HD ARG 33 18.504 -1.714 -1.744
91 HE ARG 33 HE ARG 33 19.309 -0.108 -4.004
92 1HH1 ARG 33 1HH2 ARG 33 16.986 -2.378 -2.925
93 2HH1 ARG 33 2HH2 ARG 33 16.646 -3.064 -4.457
94 1HH2 ARG 33 2HH1 ARG 33 18.966 -0.945 -6.095
95 2HH2 ARG 33 1HH1 ARG 33 17.832 -2.204 -6.340
96 H GLN 34 H GLN 34 17.662 2.411 -1.366
97 HA GLN 34 HA GLN 34 20.052 2.370 -2.471
98 1HB GLN 34 2HB GLN 34 18.406 4.164 -2.964
99 2HB GLN 34 1HB GLN 34 18.746 4.954 -1.449
100 1HG GLN 34 2HG GLN 34 21.118 5.370 -2.223
101 2HG GLN 34 1HG GLN 34 20.712 4.658 -3.778
102 1HE2 GLN 34 1HE2 GLN 34 20.040 6.223 -5.285
103 2HE2 GLN 34 2HE2 GLN 34 19.314 7.697 -4.865
104 H ARG 35 H ARG 35 19.705 4.448 0.295
105 HA ARG 35 HA ARG 35 22.323 3.603 1.343
106 1HB ARG 35 2HB ARG 35 22.497 5.772 -0.122
107 2HB ARG 35 1HB ARG 35 21.537 6.557 1.125
108 1HG ARG 35 2HG ARG 35 23.281 5.863 2.824
109 2HG ARG 35 1HG ARG 35 24.225 5.174 1.515
110 1HD ARG 35 2HD ARG 35 24.304 7.458 0.435
111 2HD ARG 35 1HD ARG 35 23.450 8.109 1.818
112 HE ARG 35 HE ARG 35 26.109 6.718 1.924
113 1HH1 ARG 35 1HH2 ARG 35 23.959 9.108 3.218
114 2HH1 ARG 35 2HH2 ARG 35 25.080 9.707 4.357
115 1HH2 ARG 35 2HH1 ARG 35 27.587 7.431 3.402
116 2HH2 ARG 35 1HH1 ARG 35 27.206 8.701 4.479
117 H TYR 36 H TYR 36 19.911 2.787 2.121
118 HA TYR 36 HA TYR 36 18.562 2.505 3.983
119 1HB TYR 36 2HB TYR 36 21.090 3.677 5.034
120 2HB TYR 36 1HB TYR 36 19.753 4.192 6.011
121 HD1 TYR 36 HD1 TYR 36 21.380 3.011 7.622
122 HD2 TYR 36 HD2 TYR 36 19.011 0.823 4.809
123 HE1 TYR 36 HE1 TYR 36 21.617 0.984 8.968
124 HE2 TYR 36 HE2 TYR 36 19.259 -1.158 6.152
125 HH TYR 36 HH TYR 36 20.077 -2.048 8.057
126 1HT TYR 36 1HT TYR 36 17.567 4.132 5.945
127 2HT TYR 36 2HT TYR 36 16.814 5.476 5.231