Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
542803 | 2lu6 RC | 18510 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 12.717 17.518 13.689
2 H2 CYS 1 HT2 CYS 1 12.285 17.982 12.111
3 H3 CYS 1 HT3 CYS 1 11.509 18.628 13.473
4 HA CYS 1 HA CYS 1 13.187 20.122 12.418
5 HB2 CYS 1 HB2 CYS 1 12.369 20.288 14.778
6 HB3 CYS 1 HB1 CYS 1 13.641 19.194 15.317
7 H ASN 2 HN ASN 2 15.660 20.614 12.974
8 HA ASN 2 HA ASN 2 17.075 18.379 11.586
9 HB2 ASN 2 HB2 ASN 2 19.072 19.754 11.438
10 HB3 ASN 2 HB1 ASN 2 17.759 20.203 10.415
11 HD21 ASN 2 HD21 ASN 2 19.436 21.178 13.511
12 HD22 ASN 2 HD22 ASN 2 19.159 22.840 13.087
13 H CYS 3 HN CYS 3 16.462 17.135 13.581
14 HA CYS 3 HA CYS 3 18.273 17.525 15.820
15 HB2 CYS 3 HB2 CYS 3 15.947 16.951 16.315
16 HB3 CYS 3 HB1 CYS 3 16.068 15.467 15.372
17 H SER 4 HN SER 4 19.839 17.368 13.832
18 HA SER 4 HA SER 4 20.831 14.655 13.527
19 HB2 SER 4 HB2 SER 4 22.028 17.297 12.525
20 HB3 SER 4 HB1 SER 4 22.530 15.646 12.067
21 HG SER 4 HG SER 4 20.990 16.863 10.673
22 H ARG 5 HN ARG 5 23.190 14.275 14.128
23 HA ARG 5 HA ARG 5 23.495 14.777 16.797
24 HB2 ARG 5 HB2 ARG 5 24.315 12.818 15.680
25 HB3 ARG 5 HB1 ARG 5 25.461 13.759 14.687
26 HG2 ARG 5 HG2 ARG 5 26.811 14.285 16.686
27 HG3 ARG 5 HG1 ARG 5 25.600 13.500 17.751
28 HD2 ARG 5 HD2 ARG 5 26.111 11.251 16.695
29 HD3 ARG 5 HD1 ARG 5 27.243 12.082 15.567
30 HE ARG 5 HE ARG 5 28.698 12.634 17.441
31 HH11 ARG 5 HH11 ARG 5 25.867 10.993 18.817
32 HH12 ARG 5 HH12 ARG 5 26.797 10.225 20.040
33 HH21 ARG 5 HH21 ARG 5 29.908 11.274 18.855
34 HH22 ARG 5 HH22 ARG 5 29.101 10.270 19.996
35 H TRP 6 HN TRP 6 25.077 16.518 14.074
36 HA TRP 6 HA TRP 6 26.365 18.244 16.017
37 HB2 TRP 6 HB2 TRP 6 26.994 17.388 13.301
38 HB3 TRP 6 HB1 TRP 6 26.990 19.164 13.467
39 HD1 TRP 6 HD1 TRP 6 29.448 16.434 14.168
40 HE1 TRP 6 HE1 TRP 6 31.412 17.576 15.391
41 HE3 TRP 6 HE3 TRP 6 27.103 20.693 15.529
42 HZ2 TRP 6 HZ2 TRP 6 31.847 19.972 16.825
43 HZ3 TRP 6 HZ3 TRP 6 28.321 22.386 16.782
44 HH2 TRP 6 HH2 TRP 6 30.668 22.040 17.431
45 H ALA 7 HN ALA 7 23.661 18.571 16.410
46 HA ALA 7 HA ALA 7 22.702 20.698 14.806
47 HB1 ALA 7 HB1 ALA 7 21.700 19.629 17.477
48 HB2 ALA 7 HB2 ALA 7 21.181 19.147 15.816
49 HB3 ALA 7 HB3 ALA 7 20.854 20.817 16.385
50 H ARG 8 HN ARG 8 24.325 22.312 14.820
51 HA ARG 8 HA ARG 8 25.281 23.393 17.267
52 HB2 ARG 8 HB2 ARG 8 26.673 24.700 16.007
53 HB3 ARG 8 HB1 ARG 8 26.523 23.096 15.195
54 HG2 ARG 8 HG2 ARG 8 25.108 24.059 13.395
55 HG3 ARG 8 HG1 ARG 8 25.128 25.653 14.248
56 HD2 ARG 8 HD2 ARG 8 27.657 25.417 14.261
57 HD3 ARG 8 HD1 ARG 8 27.505 24.129 12.988
58 HE ARG 8 HE ARG 8 25.928 26.118 11.896
59 HH11 ARG 8 HH11 ARG 8 29.321 25.964 12.944
60 HH12 ARG 8 HH12 ARG 8 29.808 27.400 12.146
61 HH21 ARG 8 HH21 ARG 8 26.572 28.160 10.875
62 HH22 ARG 8 HH22 ARG 8 28.278 28.496 10.777
63 H ASP 9 HN ASP 9 22.950 24.339 14.905
64 HA ASP 9 HA ASP 9 22.489 26.947 15.630
65 HB2 ASP 9 HB2 ASP 9 20.593 24.926 14.288
66 HB3 ASP 9 HB1 ASP 9 20.454 26.727 14.179
67 H HIS 10 HN HIS 10 20.246 27.828 16.102
68 HA HIS 10 HA HIS 10 19.601 27.058 18.746
69 HB2 HIS 10 HB2 HIS 10 17.980 29.045 17.072
70 HB3 HIS 10 HB1 HIS 10 17.987 28.798 18.846
71 HD1 HIS 10 HD1 HIS 10 18.612 31.555 17.966
72 HD2 HIS 10 HD2 HIS 10 21.568 28.661 18.666
73 HE1 HIS 10 HE1 HIS 10 20.712 32.738 18.925
74 H SER 11 HN SER 11 18.168 26.234 15.655
75 HA SER 11 HA SER 11 15.815 25.104 16.563
76 HB2 SER 11 HB2 SER 11 17.575 24.269 14.187
77 HB3 SER 11 HB1 SER 11 15.827 23.894 14.403
78 HG SER 11 HG SER 11 16.998 26.071 13.404
79 H ARG 12 HN ARG 12 17.224 24.221 18.527
80 HA ARG 12 HA ARG 12 17.998 21.425 18.030
81 HB2 ARG 12 HB2 ARG 12 19.528 22.707 19.444
82 HB3 ARG 12 HB1 ARG 12 18.162 22.938 20.596
83 HG2 ARG 12 HG2 ARG 12 18.132 20.446 20.966
84 HG3 ARG 12 HG1 ARG 12 19.322 20.210 19.675
85 HD2 ARG 12 HD2 ARG 12 19.951 22.031 22.077
86 HD3 ARG 12 HD1 ARG 12 20.083 20.250 22.239
87 HE ARG 12 HE ARG 12 21.681 21.996 20.341
88 HH11 ARG 12 HH21 ARG 12 21.264 18.746 21.896
89 HH12 ARG 12 HH22 ARG 12 22.662 18.135 21.047
90 HH21 ARG 12 HH11 ARG 12 23.400 20.949 19.209
91 HH22 ARG 12 HH12 ARG 12 23.955 19.409 19.733
92 H CYS 13 HN CYS 13 15.559 21.351 17.378
93 HA CYS 13 HA CYS 13 13.673 21.578 19.471
94 HB2 CYS 13 HB2 CYS 13 12.866 20.153 16.956
95 HB3 CYS 13 HB1 CYS 13 11.984 21.311 17.966
96 H CYS 14 HN CYS 14 15.748 19.088 18.879
97 HA CYS 14 HA CYS 14 14.619 16.784 18.580
98 HB2 CYS 14 HB2 CYS 14 16.590 17.334 20.866
99 HB3 CYS 14 HB1 CYS 14 16.239 15.746 20.088
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 14.802 16.156 11.467
2 H2 CYS 1 HT2 CYS 1 13.204 16.547 11.879
3 H3 CYS 1 HT3 CYS 1 14.352 16.300 13.086
4 HA CYS 1 HA CYS 1 14.299 18.490 11.144
5 HB2 CYS 1 HB2 CYS 1 12.610 18.437 13.075
6 HB3 CYS 1 HB1 CYS 1 13.966 18.575 14.193
7 H ASN 2 HN ASN 2 15.620 20.200 12.994
8 HA ASN 2 HA ASN 2 18.417 19.259 12.540
9 HB2 ASN 2 HB2 ASN 2 18.016 22.069 13.568
10 HB3 ASN 2 HB1 ASN 2 19.269 21.321 12.629
11 HD21 ASN 2 HD21 ASN 2 15.856 22.649 12.268
12 HD22 ASN 2 HD22 ASN 2 16.202 22.968 10.608
13 H CYS 3 HN CYS 3 16.743 18.217 14.798
14 HA CYS 3 HA CYS 3 17.808 19.297 17.168
15 HB2 CYS 3 HB2 CYS 3 15.754 17.960 17.459
16 HB3 CYS 3 HB1 CYS 3 16.494 16.595 16.607
17 H SER 4 HN SER 4 19.022 16.532 15.219
18 HA SER 4 HA SER 4 20.871 15.818 17.181
19 HB2 SER 4 HB2 SER 4 20.909 15.217 14.184
20 HB3 SER 4 HB1 SER 4 22.001 14.471 15.389
21 HG SER 4 HG SER 4 20.075 13.285 14.888
22 H ARG 5 HN ARG 5 23.106 15.939 17.260
23 HA ARG 5 HA ARG 5 23.665 18.698 17.126
24 HB2 ARG 5 HB2 ARG 5 25.249 16.346 18.279
25 HB3 ARG 5 HB1 ARG 5 25.891 17.999 18.269
26 HG2 ARG 5 HG2 ARG 5 24.036 18.881 19.602
27 HG3 ARG 5 HG1 ARG 5 23.260 17.270 19.644
28 HD2 ARG 5 HD2 ARG 5 25.051 16.357 20.976
29 HD3 ARG 5 HD1 ARG 5 26.157 17.739 20.663
30 HE ARG 5 HE ARG 5 23.906 17.712 22.605
31 HH11 ARG 5 HH21 ARG 5 26.106 19.821 20.703
32 HH12 ARG 5 HH22 ARG 5 25.443 21.253 21.444
33 HH21 ARG 5 HH11 ARG 5 23.255 19.673 23.631
34 HH22 ARG 5 HH12 ARG 5 24.189 21.110 23.339
35 H TRP 6 HN TRP 6 24.322 16.404 14.853
36 HA TRP 6 HA TRP 6 26.624 17.603 13.725
37 HB2 TRP 6 HB2 TRP 6 24.450 15.721 12.685
38 HB3 TRP 6 HB1 TRP 6 25.467 16.617 11.507
39 HD1 TRP 6 HD1 TRP 6 25.900 13.412 13.509
40 HE1 TRP 6 HE1 TRP 6 28.368 12.755 13.302
41 HE3 TRP 6 HE3 TRP 6 27.643 17.725 11.558
42 HZ2 TRP 6 HZ2 TRP 6 30.762 13.931 12.302
43 HZ3 TRP 6 HZ3 TRP 6 30.014 17.903 10.944
44 HH2 TRP 6 HH2 TRP 6 31.551 16.038 11.314
45 H ALA 7 HN ALA 7 23.210 18.718 13.703
46 HA ALA 7 HA ALA 7 23.956 20.531 11.586
47 HB1 ALA 7 HB1 ALA 7 21.811 19.387 11.535
48 HB2 ALA 7 HB2 ALA 7 21.633 21.170 11.566
49 HB3 ALA 7 HB3 ALA 7 21.324 20.192 13.078
50 H ARG 8 HN ARG 8 22.159 22.700 12.747
51 HA ARG 8 HA ARG 8 24.159 23.951 14.320
52 HB2 ARG 8 HB2 ARG 8 21.379 24.908 13.385
53 HB3 ARG 8 HB1 ARG 8 22.673 25.870 14.118
54 HG2 ARG 8 HG2 ARG 8 24.139 25.533 12.159
55 HG3 ARG 8 HG1 ARG 8 22.945 24.434 11.389
56 HD2 ARG 8 HD2 ARG 8 22.217 27.207 12.385
57 HD3 ARG 8 HD1 ARG 8 22.974 27.066 10.732
58 HE ARG 8 HE ARG 8 20.250 26.228 11.583
59 HH11 ARG 8 HH11 ARG 8 22.731 25.669 9.010
60 HH12 ARG 8 HH12 ARG 8 21.468 25.090 7.926
61 HH21 ARG 8 HH21 ARG 8 18.772 25.778 9.862
62 HH22 ARG 8 HH22 ARG 8 19.419 25.151 8.389
63 H ASP 9 HN ASP 9 24.010 24.805 16.275
64 HA ASP 9 HA ASP 9 23.235 23.144 18.236
65 HB2 ASP 9 HB2 ASP 9 23.792 26.176 18.228
66 HB3 ASP 9 HB1 ASP 9 23.693 25.208 19.744
67 H HIS 10 HN HIS 10 21.696 26.254 17.523
68 HA HIS 10 HA HIS 10 20.148 26.217 19.852
69 HB2 HIS 10 HB2 HIS 10 19.457 27.921 17.391
70 HB3 HIS 10 HB1 HIS 10 19.312 28.355 19.112
71 HD1 HIS 10 HD1 HIS 10 20.773 29.973 16.958
72 HD2 HIS 10 HD2 HIS 10 22.528 27.711 20.014
73 HE1 HIS 10 HE1 HIS 10 22.945 31.204 17.752
74 H SER 11 HN SER 11 19.614 24.963 16.723
75 HA SER 11 HA SER 11 16.731 25.086 16.823
76 HB2 SER 11 HB2 SER 11 16.957 23.841 14.555
77 HB3 SER 11 HB1 SER 11 17.503 25.523 14.705
78 HG SER 11 HG SER 11 19.245 23.291 14.978
79 H ARG 12 HN ARG 12 17.009 23.772 18.890
80 HA ARG 12 HA ARG 12 17.365 20.912 18.384
81 HB2 ARG 12 HB2 ARG 12 18.298 21.798 20.520
82 HB3 ARG 12 HB1 ARG 12 16.614 22.237 20.981
83 HG2 ARG 12 HG2 ARG 12 16.121 19.654 20.813
84 HG3 ARG 12 HG1 ARG 12 17.898 19.491 20.573
85 HD2 ARG 12 HD2 ARG 12 18.074 20.877 22.829
86 HD3 ARG 12 HD1 ARG 12 16.293 20.556 22.990
87 HE ARG 12 HE ARG 12 18.188 18.272 22.421
88 HH11 ARG 12 HH21 ARG 12 16.235 19.739 25.035
89 HH12 ARG 12 HH22 ARG 12 17.243 18.952 26.240
90 HH21 ARG 12 HH11 ARG 12 19.058 17.092 23.844
91 HH22 ARG 12 HH12 ARG 12 18.532 17.061 25.514
92 H CYS 13 HN CYS 13 15.453 21.033 16.867
93 HA CYS 13 HA CYS 13 12.918 21.663 17.708
94 HB2 CYS 13 HB2 CYS 13 13.161 19.488 15.627
95 HB3 CYS 13 HB1 CYS 13 12.091 20.903 15.689
96 H CYS 14 HN CYS 14 14.594 18.927 18.666
97 HA CYS 14 HA CYS 14 12.930 16.806 18.556
98 HB2 CYS 14 HB2 CYS 14 15.006 17.691 20.614
99 HB3 CYS 14 HB1 CYS 14 13.999 16.269 20.921
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 11.417 18.562 12.399
2 H2 CYS 1 HT2 CYS 1 12.495 17.600 13.289
3 H3 CYS 1 HT3 CYS 1 12.783 17.915 11.665
4 HA CYS 1 HA CYS 1 12.984 20.277 12.162
5 HB2 CYS 1 HB2 CYS 1 11.659 20.266 14.239
6 HB3 CYS 1 HB1 CYS 1 12.805 19.172 15.019
7 H ASN 2 HN ASN 2 15.045 21.243 12.718
8 HA ASN 2 HA ASN 2 17.184 19.240 12.161
9 HB2 ASN 2 HB2 ASN 2 18.817 21.163 12.217
10 HB3 ASN 2 HB1 ASN 2 17.858 20.876 10.783
11 HD21 ASN 2 HD21 ASN 2 17.331 22.639 13.941
12 HD22 ASN 2 HD22 ASN 2 17.270 24.176 13.123
13 H CYS 3 HN CYS 3 16.389 18.309 14.198
14 HA CYS 3 HA CYS 3 17.969 19.049 16.512
15 HB2 CYS 3 HB2 CYS 3 15.904 17.799 16.875
16 HB3 CYS 3 HB1 CYS 3 16.423 16.508 15.781
17 H SER 4 HN SER 4 19.962 19.423 15.140
18 HA SER 4 HA SER 4 21.088 17.062 13.920
19 HB2 SER 4 HB2 SER 4 22.263 19.889 14.090
20 HB3 SER 4 HB1 SER 4 22.745 18.564 12.982
21 HG SER 4 HG SER 4 21.055 20.409 12.481
22 H ARG 5 HN ARG 5 22.805 15.912 14.752
23 HA ARG 5 HA ARG 5 23.447 16.481 17.456
24 HB2 ARG 5 HB2 ARG 5 22.834 14.262 16.635
25 HB3 ARG 5 HB1 ARG 5 24.255 14.196 15.574
26 HG2 ARG 5 HG2 ARG 5 25.767 14.335 17.615
27 HG3 ARG 5 HG1 ARG 5 24.303 14.304 18.652
28 HD2 ARG 5 HD2 ARG 5 23.684 12.067 17.779
29 HD3 ARG 5 HD1 ARG 5 25.095 12.072 16.649
30 HE ARG 5 HE ARG 5 25.081 11.733 19.619
31 HH11 ARG 5 HH11 ARG 5 27.229 12.180 16.759
32 HH12 ARG 5 HH12 ARG 5 28.624 11.694 17.678
33 HH21 ARG 5 HH21 ARG 5 26.823 10.597 20.446
34 HH22 ARG 5 HH22 ARG 5 28.393 10.751 19.772
35 H TRP 6 HN TRP 6 25.480 16.442 14.420
36 HA TRP 6 HA TRP 6 27.697 17.004 16.131
37 HB2 TRP 6 HB2 TRP 6 27.514 15.992 13.327
38 HB3 TRP 6 HB1 TRP 6 28.875 17.124 13.740
39 HD1 TRP 6 HD1 TRP 6 28.365 13.447 13.933
40 HE1 TRP 6 HE1 TRP 6 30.214 12.531 15.493
41 HE3 TRP 6 HE3 TRP 6 29.902 17.811 15.975
42 HZ2 TRP 6 HZ2 TRP 6 31.896 13.537 17.524
43 HZ3 TRP 6 HZ3 TRP 6 31.625 17.793 17.685
44 HH2 TRP 6 HH2 TRP 6 32.609 15.677 18.475
45 H ALA 7 HN ALA 7 26.422 18.737 13.176
46 HA ALA 7 HA ALA 7 27.626 21.166 14.250
47 HB1 ALA 7 HB1 ALA 7 26.145 20.606 11.647
48 HB2 ALA 7 HB2 ALA 7 27.927 20.671 11.909
49 HB3 ALA 7 HB3 ALA 7 26.950 22.161 12.148
50 H ARG 8 HN ARG 8 26.061 21.347 16.282
51 HA ARG 8 HA ARG 8 23.424 20.850 15.790
52 HB2 ARG 8 HB2 ARG 8 24.686 22.325 18.173
53 HB3 ARG 8 HB1 ARG 8 23.130 21.465 18.088
54 HG2 ARG 8 HG2 ARG 8 24.235 19.308 17.807
55 HG3 ARG 8 HG1 ARG 8 25.868 20.053 17.766
56 HD2 ARG 8 HD2 ARG 8 23.846 20.515 19.996
57 HD3 ARG 8 HD1 ARG 8 25.072 19.134 20.096
58 HE ARG 8 HE ARG 8 26.388 21.659 19.460
59 HH11 ARG 8 HH11 ARG 8 24.644 20.311 22.262
60 HH12 ARG 8 HH12 ARG 8 25.386 21.466 23.319
61 HH21 ARG 8 HH21 ARG 8 27.080 23.198 20.807
62 HH22 ARG 8 HH22 ARG 8 26.331 23.408 22.322
63 H ASP 9 HN ASP 9 21.643 21.943 15.560
64 HA ASP 9 HA ASP 9 21.944 24.742 14.802
65 HB2 ASP 9 HB2 ASP 9 19.784 22.660 14.267
66 HB3 ASP 9 HB1 ASP 9 19.705 24.385 13.711
67 H HIS 10 HN HIS 10 20.158 26.224 15.284
68 HA HIS 10 HA HIS 10 19.917 26.307 18.107
69 HB2 HIS 10 HB2 HIS 10 18.668 28.341 16.183
70 HB3 HIS 10 HB1 HIS 10 19.003 28.528 17.923
71 HD1 HIS 10 HD1 HIS 10 21.827 27.800 18.355
72 HD2 HIS 10 HD2 HIS 10 20.568 29.737 14.850
73 HE1 HIS 10 HE1 HIS 10 23.726 29.358 17.561
74 H SER 11 HN SER 11 17.534 25.553 15.566
75 HA SER 11 HA SER 11 15.363 25.605 17.374
76 HB2 SER 11 HB2 SER 11 15.451 24.126 14.721
77 HB3 SER 11 HB1 SER 11 14.035 24.709 15.650
78 HG SER 11 HG SER 11 14.515 26.158 14.024
79 H ARG 12 HN ARG 12 15.800 24.186 19.154
80 HA ARG 12 HA ARG 12 16.906 21.552 18.545
81 HB2 ARG 12 HB2 ARG 12 18.037 22.879 20.326
82 HB3 ARG 12 HB1 ARG 12 16.478 22.827 21.227
83 HG2 ARG 12 HG2 ARG 12 16.792 20.271 21.288
84 HG3 ARG 12 HG1 ARG 12 18.379 20.507 20.510
85 HD2 ARG 12 HD2 ARG 12 17.521 21.952 23.089
86 HD3 ARG 12 HD1 ARG 12 18.249 20.313 23.137
87 HE ARG 12 HE ARG 12 19.604 22.863 22.659
88 HH11 ARG 12 HH21 ARG 12 19.996 19.296 22.397
89 HH12 ARG 12 HH22 ARG 12 21.711 19.428 22.614
90 HH21 ARG 12 HH11 ARG 12 21.643 22.875 23.273
91 HH22 ARG 12 HH12 ARG 12 22.511 21.417 23.499
92 H CYS 13 HN CYS 13 14.573 21.237 17.570
93 HA CYS 13 HA CYS 13 12.501 20.869 19.492
94 HB2 CYS 13 HB2 CYS 13 12.168 19.669 16.754
95 HB3 CYS 13 HB1 CYS 13 11.009 20.503 17.815
96 H CYS 14 HN CYS 14 14.806 19.100 19.957
97 HA CYS 14 HA CYS 14 14.502 16.647 18.723
98 HB2 CYS 14 HB2 CYS 14 15.862 17.324 21.380
99 HB3 CYS 14 HB1 CYS 14 16.160 15.874 20.340
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 12.757 18.069 12.498
2 H2 CYS 1 HT2 CYS 1 12.750 19.254 11.296
3 H3 CYS 1 HT3 CYS 1 11.711 19.380 12.626
4 HA CYS 1 HA CYS 1 13.526 20.904 12.850
5 HB2 CYS 1 HB2 CYS 1 12.533 19.537 14.888
6 HB3 CYS 1 HB1 CYS 1 14.009 18.591 14.826
7 H ASN 2 HN ASN 2 15.747 21.375 12.910
8 HA ASN 2 HA ASN 2 17.460 19.347 11.588
9 HB2 ASN 2 HB2 ASN 2 18.960 21.765 12.127
10 HB3 ASN 2 HB1 ASN 2 18.554 20.986 10.615
11 HD21 ASN 2 HD21 ASN 2 17.200 23.362 13.057
12 HD22 ASN 2 HD22 ASN 2 16.284 24.140 11.827
13 H CYS 3 HN CYS 3 16.806 18.237 13.850
14 HA CYS 3 HA CYS 3 18.621 19.020 15.948
15 HB2 CYS 3 HB2 CYS 3 16.341 18.235 16.506
16 HB3 CYS 3 HB1 CYS 3 16.722 16.641 15.836
17 H SER 4 HN SER 4 20.456 18.738 14.263
18 HA SER 4 HA SER 4 21.356 16.087 13.833
19 HB2 SER 4 HB2 SER 4 23.030 18.657 13.791
20 HB3 SER 4 HB1 SER 4 23.342 17.103 12.921
21 HG SER 4 HG SER 4 22.400 18.709 11.574
22 H ARG 5 HN ARG 5 23.206 15.014 14.910
23 HA ARG 5 HA ARG 5 23.448 15.713 17.630
24 HB2 ARG 5 HB2 ARG 5 23.580 13.392 16.910
25 HB3 ARG 5 HB1 ARG 5 24.976 13.715 15.868
26 HG2 ARG 5 HG2 ARG 5 26.317 14.385 17.909
27 HG3 ARG 5 HG1 ARG 5 24.903 13.948 18.928
28 HD2 ARG 5 HD2 ARG 5 25.103 11.564 18.198
29 HD3 ARG 5 HD1 ARG 5 26.463 12.026 17.083
30 HE ARG 5 HE ARG 5 26.959 13.016 19.782
31 HH11 ARG 5 HH21 ARG 5 27.013 9.792 18.200
32 HH12 ARG 5 HH22 ARG 5 28.680 9.546 18.647
33 HH21 ARG 5 HH11 ARG 5 29.104 12.446 20.469
34 HH22 ARG 5 HH12 ARG 5 29.738 10.882 19.993
35 H TRP 6 HN TRP 6 25.609 16.177 14.774
36 HA TRP 6 HA TRP 6 27.470 17.456 16.526
37 HB2 TRP 6 HB2 TRP 6 27.671 16.265 13.715
38 HB3 TRP 6 HB1 TRP 6 28.876 17.458 14.352
39 HD1 TRP 6 HD1 TRP 6 28.013 13.710 14.754
40 HE1 TRP 6 HE1 TRP 6 29.611 12.793 16.545
41 HE3 TRP 6 HE3 TRP 6 29.728 18.114 16.497
42 HZ2 TRP 6 HZ2 TRP 6 31.314 13.882 18.561
43 HZ3 TRP 6 HZ3 TRP 6 31.322 18.132 18.381
44 HH2 TRP 6 HH2 TRP 6 32.090 16.054 19.393
45 H ALA 7 HN ALA 7 26.186 18.704 13.268
46 HA ALA 7 HA ALA 7 27.245 21.198 14.246
47 HB1 ALA 7 HB1 ALA 7 28.013 20.423 12.128
48 HB2 ALA 7 HB2 ALA 7 27.042 21.923 11.942
49 HB3 ALA 7 HB3 ALA 7 26.321 20.320 11.484
50 H ARG 8 HN ARG 8 25.086 20.711 15.750
51 HA ARG 8 HA ARG 8 22.563 21.110 14.555
52 HB2 ARG 8 HB2 ARG 8 21.610 20.856 16.618
53 HB3 ARG 8 HB1 ARG 8 23.121 19.963 16.692
54 HG2 ARG 8 HG2 ARG 8 24.165 22.144 17.787
55 HG3 ARG 8 HG1 ARG 8 22.473 22.751 17.836
56 HD2 ARG 8 HD2 ARG 8 21.878 20.467 18.821
57 HD3 ARG 8 HD1 ARG 8 23.615 20.316 19.364
58 HE ARG 8 HE ARG 8 22.835 22.923 20.165
59 HH11 ARG 8 HH11 ARG 8 21.349 19.728 20.643
60 HH12 ARG 8 HH12 ARG 8 20.575 20.204 22.126
61 HH21 ARG 8 HH21 ARG 8 21.914 23.440 22.201
62 HH22 ARG 8 HH22 ARG 8 21.234 22.185 23.180
63 H ASP 9 HN ASP 9 21.107 22.772 14.906
64 HA ASP 9 HA ASP 9 22.331 25.408 14.685
65 HB2 ASP 9 HB2 ASP 9 20.461 26.091 13.450
66 HB3 ASP 9 HB1 ASP 9 20.927 24.459 12.903
67 H HIS 10 HN HIS 10 19.616 26.629 15.363
68 HA HIS 10 HA HIS 10 20.009 26.868 18.229
69 HB2 HIS 10 HB2 HIS 10 18.078 28.601 17.891
70 HB3 HIS 10 HB1 HIS 10 19.675 28.989 17.186
71 HD1 HIS 10 HD1 HIS 10 16.321 28.294 15.812
72 HD2 HIS 10 HD2 HIS 10 20.241 29.337 14.729
73 HE1 HIS 10 HE1 HIS 10 16.267 29.412 13.471
74 H SER 11 HN SER 11 17.879 25.270 15.908
75 HA SER 11 HA SER 11 15.574 25.427 17.399
76 HB2 SER 11 HB2 SER 11 16.253 23.520 15.132
77 HB3 SER 11 HB1 SER 11 14.603 23.955 15.724
78 HG SER 11 HG SER 11 16.512 25.490 14.355
79 H ARG 12 HN ARG 12 15.471 24.419 19.452
80 HA ARG 12 HA ARG 12 16.452 21.670 19.676
81 HB2 ARG 12 HB2 ARG 12 17.159 23.193 21.450
82 HB3 ARG 12 HB1 ARG 12 15.418 23.455 21.821
83 HG2 ARG 12 HG2 ARG 12 15.255 21.018 22.456
84 HG3 ARG 12 HG1 ARG 12 16.965 20.785 22.001
85 HD2 ARG 12 HD2 ARG 12 17.777 22.149 23.790
86 HD3 ARG 12 HD1 ARG 12 16.162 22.909 24.067
87 HE ARG 12 HE ARG 12 15.318 20.617 24.770
88 HH11 ARG 12 HH21 ARG 12 18.821 20.869 25.007
89 HH12 ARG 12 HH22 ARG 12 18.837 20.318 26.647
90 HH21 ARG 12 HH11 ARG 12 15.418 19.889 26.949
91 HH22 ARG 12 HH12 ARG 12 16.979 19.803 27.722
92 H CYS 13 HN CYS 13 14.578 21.053 18.156
93 HA CYS 13 HA CYS 13 12.014 20.953 19.477
94 HB2 CYS 13 HB2 CYS 13 12.394 19.535 16.847
95 HB3 CYS 13 HB1 CYS 13 11.020 20.488 17.480
96 H CYS 14 HN CYS 14 14.627 19.072 19.959
97 HA CYS 14 HA CYS 14 13.949 16.710 18.727
98 HB2 CYS 14 HB2 CYS 14 15.869 16.776 21.057
99 HB3 CYS 14 HB1 CYS 14 15.946 15.844 19.531
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 11.448 18.404 13.280
2 H2 CYS 1 HT2 CYS 1 12.654 17.597 14.128
3 H3 CYS 1 HT3 CYS 1 12.680 17.608 12.461
4 HA CYS 1 HA CYS 1 13.105 19.971 12.438
5 HB2 CYS 1 HB2 CYS 1 11.812 20.410 14.557
6 HB3 CYS 1 HB1 CYS 1 13.067 19.551 15.465
7 H ASN 2 HN ASN 2 15.317 20.925 13.499
8 HA ASN 2 HA ASN 2 17.199 18.893 12.435
9 HB2 ASN 2 HB2 ASN 2 18.262 21.627 13.101
10 HB3 ASN 2 HB1 ASN 2 18.832 20.376 11.997
11 HD21 ASN 2 HD21 ASN 2 17.931 23.307 11.197
12 HD22 ASN 2 HD22 ASN 2 16.394 23.096 10.446
13 H CYS 3 HN CYS 3 16.403 17.832 14.506
14 HA CYS 3 HA CYS 3 18.280 18.158 16.689
15 HB2 CYS 3 HB2 CYS 3 15.945 17.462 17.184
16 HB3 CYS 3 HB1 CYS 3 16.137 16.045 16.149
17 H SER 4 HN SER 4 19.758 18.077 14.518
18 HA SER 4 HA SER 4 20.578 15.396 13.877
19 HB2 SER 4 HB2 SER 4 22.194 16.619 12.312
20 HB3 SER 4 HB1 SER 4 20.461 16.832 12.029
21 HG SER 4 HG SER 4 21.663 18.735 11.942
22 H ARG 5 HN ARG 5 22.783 14.648 14.183
23 HA ARG 5 HA ARG 5 23.682 15.117 16.725
24 HB2 ARG 5 HB2 ARG 5 23.913 13.038 15.548
25 HB3 ARG 5 HB1 ARG 5 25.000 13.758 14.334
26 HG2 ARG 5 HG2 ARG 5 26.737 14.108 16.069
27 HG3 ARG 5 HG1 ARG 5 25.643 13.457 17.339
28 HD2 ARG 5 HD2 ARG 5 25.616 11.229 16.267
29 HD3 ARG 5 HD1 ARG 5 26.632 11.852 14.894
30 HE ARG 5 HE ARG 5 28.175 12.524 17.053
31 HH11 ARG 5 HH11 ARG 5 26.674 9.427 16.042
32 HH12 ARG 5 HH12 ARG 5 27.730 8.460 16.989
33 HH21 ARG 5 HH21 ARG 5 29.775 11.148 18.068
34 HH22 ARG 5 HH22 ARG 5 29.573 9.429 17.954
35 H TRP 6 HN TRP 6 24.919 16.529 13.688
36 HA TRP 6 HA TRP 6 26.671 18.256 15.212
37 HB2 TRP 6 HB2 TRP 6 26.578 17.303 12.425
38 HB3 TRP 6 HB1 TRP 6 26.776 19.069 12.544
39 HD1 TRP 6 HD1 TRP 6 29.072 16.110 12.712
40 HE1 TRP 6 HE1 TRP 6 31.358 17.064 13.410
41 HE3 TRP 6 HE3 TRP 6 27.525 20.620 14.365
42 HZ2 TRP 6 HZ2 TRP 6 32.336 19.433 14.626
43 HZ3 TRP 6 HZ3 TRP 6 29.152 22.200 15.273
44 HH2 TRP 6 HH2 TRP 6 31.532 21.614 15.418
45 H ALA 7 HN ALA 7 24.027 18.671 16.040
46 HA ALA 7 HA ALA 7 23.139 21.049 14.636
47 HB1 ALA 7 HB1 ALA 7 21.450 19.510 15.323
48 HB2 ALA 7 HB2 ALA 7 21.270 21.077 16.178
49 HB3 ALA 7 HB3 ALA 7 21.964 19.637 17.051
50 H ARG 8 HN ARG 8 24.673 22.582 14.925
51 HA ARG 8 HA ARG 8 25.542 23.363 17.589
52 HB2 ARG 8 HB2 ARG 8 26.952 24.965 16.563
53 HB3 ARG 8 HB1 ARG 8 27.146 23.282 15.950
54 HG2 ARG 8 HG2 ARG 8 26.194 23.780 13.821
55 HG3 ARG 8 HG1 ARG 8 25.669 25.418 14.305
56 HD2 ARG 8 HD2 ARG 8 28.550 24.540 14.688
57 HD3 ARG 8 HD1 ARG 8 28.021 24.978 12.983
58 HE ARG 8 HE ARG 8 27.067 27.111 14.429
59 HH11 ARG 8 HH21 ARG 8 30.356 25.694 14.266
60 HH12 ARG 8 HH22 ARG 8 31.129 27.209 14.545
61 HH21 ARG 8 HH11 ARG 8 28.160 29.142 14.507
62 HH22 ARG 8 HH12 ARG 8 29.856 29.165 14.396
63 H ASP 9 HN ASP 9 23.534 24.353 15.001
64 HA ASP 9 HA ASP 9 22.700 26.865 15.945
65 HB2 ASP 9 HB2 ASP 9 21.479 24.875 13.946
66 HB3 ASP 9 HB1 ASP 9 20.799 26.530 14.179
67 H HIS 10 HN HIS 10 20.331 27.437 16.132
68 HA HIS 10 HA HIS 10 19.654 26.305 18.668
69 HB2 HIS 10 HB2 HIS 10 17.901 27.884 18.958
70 HB3 HIS 10 HB1 HIS 10 19.351 28.758 18.473
71 HD1 HIS 10 HD1 HIS 10 16.487 29.792 18.281
72 HD2 HIS 10 HD2 HIS 10 18.776 28.416 15.048
73 HE1 HIS 10 HE1 HIS 10 15.868 31.182 16.183
74 H SER 11 HN SER 11 18.251 25.864 15.439
75 HA SER 11 HA SER 11 15.790 24.893 16.383
76 HB2 SER 11 HB2 SER 11 17.215 24.513 13.699
77 HB3 SER 11 HB1 SER 11 15.512 24.039 14.025
78 HG SER 11 HG SER 11 14.915 26.026 14.172
79 H ARG 12 HN ARG 12 17.358 23.549 17.934
80 HA ARG 12 HA ARG 12 17.727 20.854 16.824
81 HB2 ARG 12 HB2 ARG 12 19.629 21.816 18.097
82 HB3 ARG 12 HB1 ARG 12 18.550 21.861 19.537
83 HG2 ARG 12 HG2 ARG 12 18.427 19.306 19.336
84 HG3 ARG 12 HG1 ARG 12 19.506 19.420 17.902
85 HD2 ARG 12 HD2 ARG 12 21.328 20.333 19.331
86 HD3 ARG 12 HD1 ARG 12 20.242 20.364 20.768
87 HE ARG 12 HE ARG 12 21.299 17.886 19.380
88 HH11 ARG 12 HH21 ARG 12 18.997 19.069 21.887
89 HH12 ARG 12 HH22 ARG 12 18.829 17.455 22.504
90 HH21 ARG 12 HH11 ARG 12 21.119 15.981 20.330
91 HH22 ARG 12 HH12 ARG 12 20.218 15.778 21.811
92 H CYS 13 HN CYS 13 15.157 21.273 16.807
93 HA CYS 13 HA CYS 13 13.917 20.985 19.299
94 HB2 CYS 13 HB2 CYS 13 12.173 20.303 16.976
95 HB3 CYS 13 HB1 CYS 13 11.866 21.263 18.444
96 H CYS 14 HN CYS 14 14.680 19.043 20.266
97 HA CYS 14 HA CYS 14 14.071 16.548 18.888
98 HB2 CYS 14 HB2 CYS 14 15.312 16.858 21.638
99 HB3 CYS 14 HB1 CYS 14 15.326 15.439 20.521
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 13.058 17.335 14.288
2 H2 CYS 1 HT2 CYS 1 13.076 17.106 12.615
3 H3 CYS 1 HT3 CYS 1 11.761 17.842 13.345
4 HA CYS 1 HA CYS 1 12.868 19.565 12.384
5 HB2 CYS 1 HB2 CYS 1 12.364 19.520 15.047
6 HB3 CYS 1 HB1 CYS 1 14.102 19.680 15.204
7 H ASN 2 HN ASN 2 15.213 20.873 13.248
8 HA ASN 2 HA ASN 2 17.214 19.131 11.883
9 HB2 ASN 2 HB2 ASN 2 18.005 21.968 12.679
10 HB3 ASN 2 HB1 ASN 2 18.820 20.741 11.757
11 HD21 ASN 2 HD21 ASN 2 15.829 22.907 11.525
12 HD22 ASN 2 HD22 ASN 2 16.043 22.923 9.824
13 H CYS 3 HN CYS 3 16.545 17.827 14.011
14 HA CYS 3 HA CYS 3 18.635 18.209 15.991
15 HB2 CYS 3 HB2 CYS 3 16.315 17.789 16.731
16 HB3 CYS 3 HB1 CYS 3 16.379 16.188 15.962
17 H SER 4 HN SER 4 20.054 17.656 13.809
18 HA SER 4 HA SER 4 20.703 14.825 13.888
19 HB2 SER 4 HB2 SER 4 22.201 17.101 12.506
20 HB3 SER 4 HB1 SER 4 22.533 15.346 12.349
21 HG SER 4 HG SER 4 21.305 15.891 10.674
22 H ARG 5 HN ARG 5 23.096 14.312 14.543
23 HA ARG 5 HA ARG 5 23.540 15.298 17.090
24 HB2 ARG 5 HB2 ARG 5 25.322 13.695 15.223
25 HB3 ARG 5 HB1 ARG 5 25.917 14.258 16.788
26 HG2 ARG 5 HG2 ARG 5 24.333 13.029 18.071
27 HG3 ARG 5 HG1 ARG 5 23.342 12.615 16.643
28 HD2 ARG 5 HD2 ARG 5 25.096 11.122 15.793
29 HD3 ARG 5 HD1 ARG 5 26.239 11.627 17.099
30 HE ARG 5 HE ARG 5 23.600 10.159 17.480
31 HH11 ARG 5 HH11 ARG 5 26.797 11.041 18.949
32 HH12 ARG 5 HH12 ARG 5 26.404 10.183 20.390
33 HH21 ARG 5 HH21 ARG 5 23.098 9.445 19.558
34 HH22 ARG 5 HH22 ARG 5 24.299 9.485 20.789
35 H TRP 6 HN TRP 6 25.299 16.242 14.098
36 HA TRP 6 HA TRP 6 26.478 18.408 15.546
37 HB2 TRP 6 HB2 TRP 6 26.801 17.328 12.755
38 HB3 TRP 6 HB1 TRP 6 27.045 19.087 12.994
39 HD1 TRP 6 HD1 TRP 6 29.291 16.129 13.381
40 HE1 TRP 6 HE1 TRP 6 31.336 16.940 14.729
41 HE3 TRP 6 HE3 TRP 6 27.421 20.527 15.032
42 HZ2 TRP 6 HZ2 TRP 6 32.094 19.259 16.151
43 HZ3 TRP 6 HZ3 TRP 6 28.861 22.034 16.312
44 HH2 TRP 6 HH2 TRP 6 31.155 21.402 16.891
45 H ALA 7 HN ALA 7 23.822 18.608 16.032
46 HA ALA 7 HA ALA 7 22.957 20.932 14.548
47 HB1 ALA 7 HB1 ALA 7 21.149 21.044 16.239
48 HB2 ALA 7 HB2 ALA 7 21.866 19.596 17.075
49 HB3 ALA 7 HB3 ALA 7 21.232 19.469 15.379
50 H ARG 8 HN ARG 8 24.529 22.511 14.780
51 HA ARG 8 HA ARG 8 25.344 23.335 17.450
52 HB2 ARG 8 HB2 ARG 8 26.873 24.673 16.426
53 HB3 ARG 8 HB1 ARG 8 26.811 23.175 15.444
54 HG2 ARG 8 HG2 ARG 8 25.564 24.325 13.631
55 HG3 ARG 8 HG1 ARG 8 25.468 25.825 14.641
56 HD2 ARG 8 HD2 ARG 8 28.009 25.583 14.890
57 HD3 ARG 8 HD1 ARG 8 27.986 24.454 13.482
58 HE ARG 8 HE ARG 8 27.158 26.229 12.028
59 HH11 ARG 8 HH11 ARG 8 27.077 27.586 15.335
60 HH12 ARG 8 HH12 ARG 8 27.547 29.157 14.799
61 HH21 ARG 8 HH21 ARG 8 28.020 28.369 11.456
62 HH22 ARG 8 HH22 ARG 8 27.920 29.600 12.686
63 H ASP 9 HN ASP 9 23.196 24.116 14.883
64 HA ASP 9 HA ASP 9 22.527 26.727 15.616
65 HB2 ASP 9 HB2 ASP 9 21.023 24.633 13.942
66 HB3 ASP 9 HB1 ASP 9 20.484 26.351 14.051
67 H HIS 10 HN HIS 10 20.412 27.574 16.122
68 HA HIS 10 HA HIS 10 19.733 26.723 18.675
69 HB2 HIS 10 HB2 HIS 10 18.045 28.716 17.113
70 HB3 HIS 10 HB1 HIS 10 18.317 28.570 18.883
71 HD1 HIS 10 HD1 HIS 10 18.750 31.221 17.660
72 HD2 HIS 10 HD2 HIS 10 21.834 28.444 18.239
73 HE1 HIS 10 HE1 HIS 10 20.965 32.515 18.016
74 H SER 11 HN SER 11 18.386 25.785 15.650
75 HA SER 11 HA SER 11 15.857 24.940 16.544
76 HB2 SER 11 HB2 SER 11 15.924 23.716 14.268
77 HB3 SER 11 HB1 SER 11 16.089 25.489 14.260
78 HG SER 11 HG SER 11 18.255 23.659 14.119
79 H ARG 12 HN ARG 12 17.243 23.935 18.449
80 HA ARG 12 HA ARG 12 17.806 21.106 17.888
81 HB2 ARG 12 HB2 ARG 12 19.387 22.247 19.424
82 HB3 ARG 12 HB1 ARG 12 17.987 22.538 20.520
83 HG2 ARG 12 HG2 ARG 12 17.767 20.007 20.730
84 HG3 ARG 12 HG1 ARG 12 19.186 19.832 19.649
85 HD2 ARG 12 HD2 ARG 12 20.623 20.947 21.377
86 HD3 ARG 12 HD1 ARG 12 19.158 21.273 22.379
87 HE ARG 12 HE ARG 12 18.806 18.835 22.628
88 HH11 ARG 12 HH11 ARG 12 22.085 19.478 21.326
89 HH12 ARG 12 HH12 ARG 12 22.745 18.162 22.236
90 HH21 ARG 12 HH21 ARG 12 19.691 17.278 23.749
91 HH22 ARG 12 HH22 ARG 12 21.425 17.050 23.836
92 H CYS 13 HN CYS 13 15.387 21.194 17.210
93 HA CYS 13 HA CYS 13 13.569 21.387 19.358
94 HB2 CYS 13 HB2 CYS 13 12.482 20.459 16.743
95 HB3 CYS 13 HB1 CYS 13 11.907 21.760 17.844
96 H CYS 14 HN CYS 14 14.985 19.199 20.157
97 HA CYS 14 HA CYS 14 14.272 16.880 18.653
98 HB2 CYS 14 HB2 CYS 14 15.800 16.888 21.272
99 HB3 CYS 14 HB1 CYS 14 15.808 15.667 19.954
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 11.581 15.481 12.476
2 H2 CYS 1 HT2 CYS 1 10.437 16.114 13.524
3 H3 CYS 1 HT3 CYS 1 11.778 15.345 14.140
4 HA CYS 1 HA CYS 1 11.847 17.759 12.401
5 HB2 CYS 1 HB2 CYS 1 10.625 18.102 14.598
6 HB3 CYS 1 HB1 CYS 1 12.148 17.817 15.437
7 H ASN 2 HN ASN 2 13.751 18.824 12.109
8 HA ASN 2 HA ASN 2 15.808 16.691 11.839
9 HB2 ASN 2 HB2 ASN 2 16.281 19.290 10.359
10 HB3 ASN 2 HB1 ASN 2 16.773 17.655 10.063
11 HD21 ASN 2 HD21 ASN 2 13.802 19.797 9.867
12 HD22 ASN 2 HD22 ASN 2 13.167 18.795 8.610
13 H CYS 3 HN CYS 3 15.924 17.122 14.278
14 HA CYS 3 HA CYS 3 17.839 19.216 14.944
15 HB2 CYS 3 HB2 CYS 3 16.106 18.826 16.594
16 HB3 CYS 3 HB1 CYS 3 16.479 17.109 16.646
17 H SER 4 HN SER 4 19.568 18.414 13.396
18 HA SER 4 HA SER 4 20.945 16.067 14.389
19 HB2 SER 4 HB2 SER 4 21.785 17.977 12.182
20 HB3 SER 4 HB1 SER 4 22.538 16.401 12.606
21 HG SER 4 HG SER 4 20.469 15.449 12.145
22 H ARG 5 HN ARG 5 22.094 16.229 16.143
23 HA ARG 5 HA ARG 5 22.618 18.661 17.384
24 HB2 ARG 5 HB2 ARG 5 22.036 16.625 18.545
25 HB3 ARG 5 HB1 ARG 5 23.532 15.825 17.967
26 HG2 ARG 5 HG2 ARG 5 24.920 17.246 19.359
27 HG3 ARG 5 HG1 ARG 5 23.548 18.310 19.796
28 HD2 ARG 5 HD2 ARG 5 23.634 15.300 20.536
29 HD3 ARG 5 HD1 ARG 5 24.292 16.631 21.563
30 HE ARG 5 HE ARG 5 22.144 17.521 21.893
31 HH11 ARG 5 HH11 ARG 5 21.820 14.497 19.946
32 HH12 ARG 5 HH12 ARG 5 20.088 14.528 20.087
33 HH21 ARG 5 HH21 ARG 5 19.917 17.348 22.158
34 HH22 ARG 5 HH22 ARG 5 19.009 16.056 21.440
35 H TRP 6 HN TRP 6 24.751 16.553 15.480
36 HA TRP 6 HA TRP 6 27.132 17.496 16.382
37 HB2 TRP 6 HB2 TRP 6 26.221 16.085 13.829
38 HB3 TRP 6 HB1 TRP 6 27.857 16.767 13.889
39 HD1 TRP 6 HD1 TRP 6 26.116 13.687 15.462
40 HE1 TRP 6 HE1 TRP 6 27.803 12.710 17.150
41 HE3 TRP 6 HE3 TRP 6 29.571 17.348 15.379
42 HZ2 TRP 6 HZ2 TRP 6 30.450 13.210 17.983
43 HZ3 TRP 6 HZ3 TRP 6 31.672 17.065 16.653
44 HH2 TRP 6 HH2 TRP 6 32.084 15.034 17.941
45 H ALA 7 HN ALA 7 25.084 19.308 14.152
46 HA ALA 7 HA ALA 7 27.426 20.666 13.126
47 HB1 ALA 7 HB1 ALA 7 25.750 20.020 11.550
48 HB2 ALA 7 HB2 ALA 7 25.805 21.803 11.648
49 HB3 ALA 7 HB3 ALA 7 24.451 20.894 12.457
50 H ARG 8 HN ARG 8 24.786 22.807 13.274
51 HA ARG 8 HA ARG 8 25.985 24.383 15.329
52 HB2 ARG 8 HB2 ARG 8 23.363 24.759 13.702
53 HB3 ARG 8 HB1 ARG 8 24.272 25.957 14.631
54 HG2 ARG 8 HG2 ARG 8 26.182 25.799 13.053
55 HG3 ARG 8 HG1 ARG 8 25.310 24.592 12.055
56 HD2 ARG 8 HD2 ARG 8 24.040 27.227 12.882
57 HD3 ARG 8 HD1 ARG 8 25.219 27.206 11.468
58 HE ARG 8 HE ARG 8 23.164 25.119 11.236
59 HH11 ARG 8 HH21 ARG 8 23.579 28.669 10.747
60 HH12 ARG 8 HH22 ARG 8 22.267 28.739 9.620
61 HH21 ARG 8 HH11 ARG 8 21.546 25.282 9.712
62 HH22 ARG 8 HH12 ARG 8 21.038 26.827 9.083
63 H ASP 9 HN ASP 9 24.598 25.411 16.931
64 HA ASP 9 HA ASP 9 23.555 23.298 18.587
65 HB2 ASP 9 HB2 ASP 9 23.794 26.332 19.093
66 HB3 ASP 9 HB1 ASP 9 23.216 25.140 20.308
67 H HIS 10 HN HIS 10 22.277 26.167 17.056
68 HA HIS 10 HA HIS 10 20.242 26.856 18.421
69 HB2 HIS 10 HB2 HIS 10 20.004 26.623 15.376
70 HB3 HIS 10 HB1 HIS 10 19.134 27.802 16.425
71 HD1 HIS 10 HD1 HIS 10 21.152 29.216 18.011
72 HD2 HIS 10 HD2 HIS 10 21.977 27.903 14.099
73 HE1 HIS 10 HE1 HIS 10 22.940 30.759 16.989
74 H SER 11 HN SER 11 18.816 25.805 19.536
75 HA SER 11 HA SER 11 17.944 23.344 19.213
76 HB2 SER 11 HB2 SER 11 16.501 25.635 20.567
77 HB3 SER 11 HB1 SER 11 16.123 23.890 20.820
78 HG SER 11 HG SER 11 17.851 25.273 22.086
79 H ARG 12 HN ARG 12 17.040 22.670 17.219
80 HA ARG 12 HA ARG 12 14.493 23.751 16.417
81 HB2 ARG 12 HB2 ARG 12 15.689 21.161 15.302
82 HB3 ARG 12 HB1 ARG 12 14.545 22.275 14.540
83 HG2 ARG 12 HG2 ARG 12 16.283 23.911 14.042
84 HG3 ARG 12 HG1 ARG 12 17.414 23.123 15.154
85 HD2 ARG 12 HD2 ARG 12 17.636 21.171 13.783
86 HD3 ARG 12 HD1 ARG 12 16.317 21.725 12.655
87 HE ARG 12 HE ARG 12 18.290 23.824 12.844
88 HH11 ARG 12 HH11 ARG 12 18.346 20.439 11.737
89 HH12 ARG 12 HH12 ARG 12 19.374 20.799 10.389
90 HH21 ARG 12 HH21 ARG 12 19.361 24.289 10.933
91 HH22 ARG 12 HH22 ARG 12 20.145 23.012 10.045
92 H CYS 13 HN CYS 13 12.853 21.225 16.087
93 HA CYS 13 HA CYS 13 12.102 21.052 18.651
94 HB2 CYS 13 HB2 CYS 13 11.153 18.924 16.768
95 HB3 CYS 13 HB1 CYS 13 10.243 20.045 17.843
96 H CYS 14 HN CYS 14 14.384 20.297 19.474
97 HA CYS 14 HA CYS 14 15.191 17.658 18.816
98 HB2 CYS 14 HB2 CYS 14 16.183 19.422 21.107
99 HB3 CYS 14 HB1 CYS 14 17.001 17.992 20.362
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 11.563 18.187 12.852
2 H2 CYS 1 HT2 CYS 1 12.535 17.524 14.059
3 H3 CYS 1 HT3 CYS 1 12.910 17.286 12.458
4 HA CYS 1 HA CYS 1 13.083 19.828 12.317
5 HB2 CYS 1 HB2 CYS 1 12.008 20.132 14.546
6 HB3 CYS 1 HB1 CYS 1 13.319 19.254 15.326
7 H ASN 2 HN ASN 2 15.495 20.662 13.354
8 HA ASN 2 HA ASN 2 17.183 18.657 11.905
9 HB2 ASN 2 HB2 ASN 2 18.963 20.325 11.868
10 HB3 ASN 2 HB1 ASN 2 17.625 20.615 10.790
11 HD21 ASN 2 HD22 ASN 2 19.238 21.551 13.759
12 HD22 ASN 2 HD21 ASN 2 18.610 23.173 13.817
13 H CYS 3 HN CYS 3 16.530 17.479 14.052
14 HA CYS 3 HA CYS 3 18.414 18.041 16.197
15 HB2 CYS 3 HB2 CYS 3 16.116 17.474 16.819
16 HB3 CYS 3 HB1 CYS 3 16.219 15.925 15.963
17 H SER 4 HN SER 4 19.952 17.695 14.170
18 HA SER 4 HA SER 4 20.726 14.912 13.967
19 HB2 SER 4 HB2 SER 4 22.143 17.206 12.567
20 HB3 SER 4 HB1 SER 4 22.049 15.480 12.110
21 HG SER 4 HG SER 4 19.707 15.886 11.996
22 H ARG 5 HN ARG 5 23.233 14.551 14.105
23 HA ARG 5 HA ARG 5 23.855 15.026 16.802
24 HB2 ARG 5 HB2 ARG 5 25.459 13.834 14.500
25 HB3 ARG 5 HB1 ARG 5 26.153 14.027 16.111
26 HG2 ARG 5 HG2 ARG 5 24.697 12.531 17.167
27 HG3 ARG 5 HG1 ARG 5 23.479 12.533 15.872
28 HD2 ARG 5 HD2 ARG 5 24.859 11.237 14.361
29 HD3 ARG 5 HD1 ARG 5 26.323 11.486 15.409
30 HE ARG 5 HE ARG 5 24.177 10.239 16.963
31 HH11 ARG 5 HH11 ARG 5 26.696 9.500 14.562
32 HH12 ARG 5 HH12 ARG 5 27.131 8.013 15.343
33 HH21 ARG 5 HH21 ARG 5 24.708 8.349 17.904
34 HH22 ARG 5 HH22 ARG 5 25.824 7.222 17.157
35 H TRP 6 HN TRP 6 25.195 16.502 13.816
36 HA TRP 6 HA TRP 6 26.503 18.471 15.485
37 HB2 TRP 6 HB2 TRP 6 26.675 17.728 12.580
38 HB3 TRP 6 HB1 TRP 6 26.845 19.462 12.967
39 HD1 TRP 6 HD1 TRP 6 29.266 16.722 12.773
40 HE1 TRP 6 HE1 TRP 6 31.417 17.605 13.892
41 HE3 TRP 6 HE3 TRP 6 27.281 20.693 15.163
42 HZ2 TRP 6 HZ2 TRP 6 32.160 19.811 15.508
43 HZ3 TRP 6 HZ3 TRP 6 28.772 22.232 16.382
44 HH2 TRP 6 HH2 TRP 6 31.170 21.798 16.539
45 H ALA 7 HN ALA 7 23.794 18.586 16.159
46 HA ALA 7 HA ALA 7 22.753 20.825 14.677
47 HB1 ALA 7 HB1 ALA 7 21.172 19.264 15.608
48 HB2 ALA 7 HB2 ALA 7 20.964 20.896 16.338
49 HB3 ALA 7 HB3 ALA 7 21.783 19.567 17.278
50 H ARG 8 HN ARG 8 24.509 22.289 14.781
51 HA ARG 8 HA ARG 8 25.388 23.161 17.387
52 HB2 ARG 8 HB2 ARG 8 27.143 24.148 16.412
53 HB3 ARG 8 HB1 ARG 8 26.754 22.780 15.327
54 HG2 ARG 8 HG2 ARG 8 25.793 24.262 13.655
55 HG3 ARG 8 HG1 ARG 8 25.976 25.709 14.699
56 HD2 ARG 8 HD2 ARG 8 28.275 23.818 14.133
57 HD3 ARG 8 HD1 ARG 8 27.928 25.218 12.968
58 HE ARG 8 HE ARG 8 28.051 26.189 15.695
59 HH11 ARG 8 HH11 ARG 8 30.230 25.050 13.117
60 HH12 ARG 8 HH12 ARG 8 31.657 25.557 13.919
61 HH21 ARG 8 HH21 ARG 8 29.985 26.955 16.710
62 HH22 ARG 8 HH22 ARG 8 31.521 26.668 15.956
63 H ASP 9 HN ASP 9 23.314 24.211 14.831
64 HA ASP 9 HA ASP 9 22.851 26.839 15.722
65 HB2 ASP 9 HB2 ASP 9 21.077 26.930 14.030
66 HB3 ASP 9 HB1 ASP 9 22.514 26.089 13.371
67 H HIS 10 HN HIS 10 20.363 27.475 16.015
68 HA HIS 10 HA HIS 10 20.039 26.420 18.714
69 HB2 HIS 10 HB2 HIS 10 18.642 28.898 17.615
70 HB3 HIS 10 HB1 HIS 10 18.917 28.401 19.307
71 HD1 HIS 10 HD1 HIS 10 19.915 31.084 18.329
72 HD2 HIS 10 HD2 HIS 10 22.294 27.654 18.708
73 HE1 HIS 10 HE1 HIS 10 22.337 31.824 18.866
74 H SER 11 HN SER 11 18.613 25.749 15.773
75 HA SER 11 HA SER 11 15.913 25.527 16.733
76 HB2 SER 11 HB2 SER 11 16.480 26.191 14.385
77 HB3 SER 11 HB1 SER 11 17.047 24.527 14.090
78 HG SER 11 HG SER 11 15.038 23.809 14.296
79 H ARG 12 HN ARG 12 16.857 24.153 18.533
80 HA ARG 12 HA ARG 12 17.464 21.417 17.681
81 HB2 ARG 12 HB2 ARG 12 19.030 22.493 19.275
82 HB3 ARG 12 HB1 ARG 12 17.662 22.540 20.458
83 HG2 ARG 12 HG2 ARG 12 17.668 19.983 20.350
84 HG3 ARG 12 HG1 ARG 12 18.902 20.101 19.051
85 HD2 ARG 12 HD2 ARG 12 20.354 21.336 20.911
86 HD3 ARG 12 HD1 ARG 12 19.154 20.639 22.067
87 HE ARG 12 HE ARG 12 19.713 18.366 21.231
88 HH11 ARG 12 HH11 ARG 12 22.180 20.804 20.436
89 HH12 ARG 12 HH12 ARG 12 23.079 19.678 19.452
90 HH21 ARG 12 HH21 ARG 12 21.140 16.902 19.970
91 HH22 ARG 12 HH22 ARG 12 22.541 17.633 19.244
92 H CYS 13 HN CYS 13 15.013 21.393 17.087
93 HA CYS 13 HA CYS 13 13.295 21.146 19.314
94 HB2 CYS 13 HB2 CYS 13 12.163 20.193 16.722
95 HB3 CYS 13 HB1 CYS 13 11.484 21.240 18.004
96 H CYS 14 HN CYS 14 14.749 19.253 20.233
97 HA CYS 14 HA CYS 14 14.537 16.811 18.727
98 HB2 CYS 14 HB2 CYS 14 15.893 17.338 21.407
99 HB3 CYS 14 HB1 CYS 14 15.944 15.813 20.435
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 11.198 14.941 14.905
2 H2 CYS 1 HT2 CYS 1 10.806 16.188 15.990
3 H3 CYS 1 HT3 CYS 1 12.291 15.393 16.109
4 HA CYS 1 HA CYS 1 11.494 16.952 13.746
5 HB2 CYS 1 HB2 CYS 1 11.682 18.381 15.768
6 HB3 CYS 1 HB1 CYS 1 13.269 17.729 16.128
7 H ASN 2 HN ASN 2 13.276 17.361 12.327
8 HA ASN 2 HA ASN 2 15.217 15.095 12.265
9 HB2 ASN 2 HB2 ASN 2 15.468 17.243 10.136
10 HB3 ASN 2 HB1 ASN 2 16.046 15.600 10.237
11 HD21 ASN 2 HD21 ASN 2 12.793 17.359 10.184
12 HD22 ASN 2 HD22 ASN 2 12.271 16.299 8.921
13 H CYS 3 HN CYS 3 15.874 15.894 14.453
14 HA CYS 3 HA CYS 3 17.742 18.110 14.459
15 HB2 CYS 3 HB2 CYS 3 16.563 17.820 16.540
16 HB3 CYS 3 HB1 CYS 3 16.971 16.117 16.604
17 H SER 4 HN SER 4 19.111 17.348 12.614
18 HA SER 4 HA SER 4 20.774 15.108 13.112
19 HB2 SER 4 HB2 SER 4 21.313 17.523 11.301
20 HB3 SER 4 HB1 SER 4 22.177 15.946 11.282
21 HG SER 4 HG SER 4 20.455 16.249 9.719
22 H ARG 5 HN ARG 5 22.923 15.121 13.858
23 HA ARG 5 HA ARG 5 22.782 16.460 16.208
24 HB2 ARG 5 HB2 ARG 5 23.585 14.183 15.988
25 HB3 ARG 5 HB1 ARG 5 24.979 14.718 15.016
26 HG2 ARG 5 HG2 ARG 5 25.671 14.069 17.168
27 HG3 ARG 5 HG1 ARG 5 25.955 15.816 17.045
28 HD2 ARG 5 HD2 ARG 5 24.274 16.331 18.682
29 HD3 ARG 5 HD1 ARG 5 23.408 14.741 18.416
30 HE ARG 5 HE ARG 5 26.041 14.087 19.207
31 HH11 ARG 5 HH11 ARG 5 23.544 16.135 20.767
32 HH12 ARG 5 HH12 ARG 5 24.168 15.825 22.350
33 HH21 ARG 5 HH21 ARG 5 26.369 13.271 21.284
34 HH22 ARG 5 HH22 ARG 5 25.645 14.081 22.655
35 H TRP 6 HN TRP 6 25.226 17.202 13.655
36 HA TRP 6 HA TRP 6 26.850 18.689 15.116
37 HB2 TRP 6 HB2 TRP 6 26.069 18.809 12.188
38 HB3 TRP 6 HB1 TRP 6 27.010 20.175 12.872
39 HD1 TRP 6 HD1 TRP 6 28.020 16.905 11.390
40 HE1 TRP 6 HE1 TRP 6 30.487 16.496 12.114
41 HE3 TRP 6 HE3 TRP 6 28.455 20.565 14.846
42 HZ2 TRP 6 HZ2 TRP 6 32.267 17.498 14.019
43 HZ3 TRP 6 HZ3 TRP 6 30.549 20.827 16.065
44 HH2 TRP 6 HH2 TRP 6 32.424 19.296 15.695
45 H ALA 7 HN ALA 7 23.773 20.080 13.901
46 HA ALA 7 HA ALA 7 24.437 22.605 14.987
47 HB1 ALA 7 HB1 ALA 7 22.838 22.364 13.183
48 HB2 ALA 7 HB2 ALA 7 22.111 23.197 14.606
49 HB3 ALA 7 HB3 ALA 7 21.702 21.458 14.268
50 H ARG 8 HN ARG 8 25.202 22.180 17.060
51 HA ARG 8 HA ARG 8 23.630 20.993 19.098
52 HB2 ARG 8 HB2 ARG 8 25.479 21.124 20.406
53 HB3 ARG 8 HB1 ARG 8 26.118 21.103 18.729
54 HG2 ARG 8 HG2 ARG 8 26.510 23.517 18.797
55 HG3 ARG 8 HG1 ARG 8 25.895 23.650 20.479
56 HD2 ARG 8 HD2 ARG 8 27.928 21.563 19.705
57 HD3 ARG 8 HD1 ARG 8 28.555 23.250 20.096
58 HE ARG 8 HE ARG 8 27.182 22.905 22.328
59 HH11 ARG 8 HH21 ARG 8 29.237 20.372 20.941
60 HH12 ARG 8 HH22 ARG 8 28.970 19.312 22.278
61 HH21 ARG 8 HH11 ARG 8 26.514 21.313 23.764
62 HH22 ARG 8 HH12 ARG 8 27.304 19.764 23.783
63 H ASP 9 HN ASP 9 23.951 24.034 17.708
64 HA ASP 9 HA ASP 9 23.047 25.705 19.805
65 HB2 ASP 9 HB2 ASP 9 22.990 27.471 18.090
66 HB3 ASP 9 HB1 ASP 9 24.463 26.464 17.926
67 H HIS 10 HN HIS 10 21.125 27.242 19.280
68 HA HIS 10 HA HIS 10 18.887 25.471 19.598
69 HB2 HIS 10 HB2 HIS 10 18.705 28.513 19.714
70 HB3 HIS 10 HB1 HIS 10 17.574 27.249 20.298
71 HD1 HIS 10 HD1 HIS 10 18.290 29.204 22.347
72 HD2 HIS 10 HD2 HIS 10 20.472 25.667 21.764
73 HE1 HIS 10 HE1 HIS 10 19.275 28.465 24.620
74 H SER 11 HN SER 11 19.947 25.901 16.776
75 HA SER 11 HA SER 11 17.761 27.126 15.418
76 HB2 SER 11 HB2 SER 11 19.932 27.009 14.357
77 HB3 SER 11 HB1 SER 11 19.881 25.214 14.343
78 HG SER 11 HG SER 11 19.201 26.024 12.347
79 H ARG 12 HN ARG 12 18.692 23.734 15.751
80 HA ARG 12 HA ARG 12 16.193 23.038 14.405
81 HB2 ARG 12 HB2 ARG 12 18.471 21.904 13.737
82 HB3 ARG 12 HB1 ARG 12 18.124 20.899 15.164
83 HG2 ARG 12 HG2 ARG 12 17.186 19.773 13.194
84 HG3 ARG 12 HG1 ARG 12 15.757 20.642 13.833
85 HD2 ARG 12 HD2 ARG 12 16.613 22.595 12.292
86 HD3 ARG 12 HD1 ARG 12 17.674 21.374 11.510
87 HE ARG 12 HE ARG 12 15.770 20.308 10.538
88 HH11 ARG 12 HH21 ARG 12 14.534 23.056 12.445
89 HH12 ARG 12 HH22 ARG 12 12.902 22.590 12.184
90 HH21 ARG 12 HH11 ARG 12 13.769 20.185 9.809
91 HH22 ARG 12 HH12 ARG 12 12.412 20.950 10.609
92 H CYS 13 HN CYS 13 14.845 21.100 15.445
93 HA CYS 13 HA CYS 13 14.060 22.314 17.777
94 HB2 CYS 13 HB2 CYS 13 12.788 19.687 17.048
95 HB3 CYS 13 HB1 CYS 13 12.059 21.236 17.547
96 H CYS 14 HN CYS 14 16.573 21.051 18.439
97 HA CYS 14 HA CYS 14 16.179 18.407 19.222
98 HB2 CYS 14 HB2 CYS 14 18.477 20.237 20.012
99 HB3 CYS 14 HB1 CYS 14 18.489 18.439 19.888
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 11.783 16.044 15.451
2 H2 CYS 1 HT2 CYS 1 11.721 15.261 13.985
3 H3 CYS 1 HT3 CYS 1 10.455 16.280 14.443
4 HA CYS 1 HA CYS 1 11.604 17.553 12.937
5 HB2 CYS 1 HB2 CYS 1 10.975 18.592 15.151
6 HB3 CYS 1 HB1 CYS 1 12.577 18.184 15.771
7 H ASN 2 HN ASN 2 13.670 18.688 12.330
8 HA ASN 2 HA ASN 2 15.436 16.387 11.698
9 HB2 ASN 2 HB2 ASN 2 15.996 19.078 10.390
10 HB3 ASN 2 HB1 ASN 2 16.668 17.490 10.147
11 HD21 ASN 2 HD21 ASN 2 13.387 19.137 9.949
12 HD22 ASN 2 HD22 ASN 2 13.021 18.201 8.524
13 H CYS 3 HN CYS 3 15.950 16.180 13.938
14 HA CYS 3 HA CYS 3 17.967 17.947 15.033
15 HB2 CYS 3 HB2 CYS 3 16.294 17.003 16.599
16 HB3 CYS 3 HB1 CYS 3 16.680 15.377 16.084
17 H SER 4 HN SER 4 19.673 17.644 13.272
18 HA SER 4 HA SER 4 20.869 15.093 13.083
19 HB2 SER 4 HB2 SER 4 22.623 16.490 11.831
20 HB3 SER 4 HB1 SER 4 20.956 16.631 11.224
21 HG SER 4 HG SER 4 22.004 18.646 11.488
22 H ARG 5 HN ARG 5 23.092 14.644 13.876
23 HA ARG 5 HA ARG 5 23.384 15.233 16.527
24 HB2 ARG 5 HB2 ARG 5 24.339 13.247 15.587
25 HB3 ARG 5 HB1 ARG 5 25.379 14.181 14.481
26 HG2 ARG 5 HG2 ARG 5 26.603 15.153 16.446
27 HG3 ARG 5 HG1 ARG 5 25.580 14.169 17.550
28 HD2 ARG 5 HD2 ARG 5 26.587 12.080 16.665
29 HD3 ARG 5 HD1 ARG 5 27.455 13.006 15.383
30 HE ARG 5 HE ARG 5 28.737 14.179 17.084
31 HH11 ARG 5 HH11 ARG 5 26.954 11.456 18.567
32 HH12 ARG 5 HH12 ARG 5 27.507 11.847 20.134
33 HH21 ARG 5 HH21 ARG 5 29.530 14.552 19.200
34 HH22 ARG 5 HH22 ARG 5 28.782 13.765 20.517
35 H TRP 6 HN TRP 6 24.962 16.868 13.756
36 HA TRP 6 HA TRP 6 26.469 18.541 15.500
37 HB2 TRP 6 HB2 TRP 6 26.399 18.053 12.534
38 HB3 TRP 6 HB1 TRP 6 26.773 19.708 13.053
39 HD1 TRP 6 HD1 TRP 6 28.771 16.476 12.845
40 HE1 TRP 6 HE1 TRP 6 30.996 16.942 14.059
41 HE3 TRP 6 HE3 TRP 6 27.521 20.820 15.078
42 HZ2 TRP 6 HZ2 TRP 6 32.155 19.081 15.519
43 HZ3 TRP 6 HZ3 TRP 6 29.259 22.097 16.299
44 HH2 TRP 6 HH2 TRP 6 31.524 21.223 16.514
45 H ALA 7 HN ALA 7 24.037 18.925 16.477
46 HA ALA 7 HA ALA 7 23.005 21.368 15.359
47 HB1 ALA 7 HB1 ALA 7 22.234 19.833 17.898
48 HB2 ALA 7 HB2 ALA 7 21.541 19.582 16.255
49 HB3 ALA 7 HB3 ALA 7 21.311 21.171 17.090
50 H ARG 8 HN ARG 8 25.087 22.598 15.604
51 HA ARG 8 HA ARG 8 25.962 23.310 18.192
52 HB2 ARG 8 HB2 ARG 8 27.025 25.238 17.162
53 HB3 ARG 8 HB1 ARG 8 27.529 23.620 16.658
54 HG2 ARG 8 HG2 ARG 8 26.842 23.865 14.454
55 HG3 ARG 8 HG1 ARG 8 25.525 25.007 14.827
56 HD2 ARG 8 HD2 ARG 8 28.387 25.713 15.484
57 HD3 ARG 8 HD1 ARG 8 27.821 25.953 13.755
58 HE ARG 8 HE ARG 8 25.836 27.236 14.865
59 HH11 ARG 8 HH11 ARG 8 29.139 27.586 16.199
60 HH12 ARG 8 HH12 ARG 8 28.603 28.696 17.419
61 HH21 ARG 8 HH21 ARG 8 25.337 28.943 16.197
62 HH22 ARG 8 HH22 ARG 8 26.547 29.673 17.200
63 H ASP 9 HN ASP 9 24.186 25.266 15.897
64 HA ASP 9 HA ASP 9 23.238 27.113 17.764
65 HB2 ASP 9 HB2 ASP 9 21.940 26.346 15.071
66 HB3 ASP 9 HB1 ASP 9 21.593 27.845 16.003
67 H HIS 10 HN HIS 10 21.237 27.344 18.887
68 HA HIS 10 HA HIS 10 19.830 24.872 19.307
69 HB2 HIS 10 HB2 HIS 10 18.992 27.532 20.570
70 HB3 HIS 10 HB1 HIS 10 18.716 25.823 21.087
71 HD1 HIS 10 HD1 HIS 10 21.587 24.765 21.098
72 HD2 HIS 10 HD2 HIS 10 20.281 28.382 22.763
73 HE1 HIS 10 HE1 HIS 10 22.971 25.214 23.256
74 H SER 11 HN SER 11 19.450 25.468 16.762
75 HA SER 11 HA SER 11 17.014 26.961 16.341
76 HB2 SER 11 HB2 SER 11 17.528 26.550 13.925
77 HB3 SER 11 HB1 SER 11 18.882 27.299 14.827
78 HG SER 11 HG SER 11 19.451 25.569 13.446
79 H ARG 12 HN ARG 12 18.070 23.723 16.481
80 HA ARG 12 HA ARG 12 15.729 22.718 15.099
81 HB2 ARG 12 HB2 ARG 12 17.863 20.866 16.263
82 HB3 ARG 12 HB1 ARG 12 16.774 20.577 14.917
83 HG2 ARG 12 HG2 ARG 12 18.045 22.127 13.430
84 HG3 ARG 12 HG1 ARG 12 19.015 22.676 14.819
85 HD2 ARG 12 HD2 ARG 12 20.124 20.546 15.030
86 HD3 ARG 12 HD1 ARG 12 19.028 19.748 13.849
87 HE ARG 12 HE ARG 12 21.242 21.644 13.195
88 HH11 ARG 12 HH11 ARG 12 18.325 19.998 11.903
89 HH12 ARG 12 HH12 ARG 12 18.625 20.587 10.295
90 HH21 ARG 12 HH21 ARG 12 21.724 22.028 11.136
91 HH22 ARG 12 HH22 ARG 12 20.686 21.528 9.827
92 H CYS 13 HN CYS 13 14.336 20.877 16.023
93 HA CYS 13 HA CYS 13 13.599 21.684 18.636
94 HB2 CYS 13 HB2 CYS 13 12.221 19.422 17.176
95 HB3 CYS 13 HB1 CYS 13 11.551 20.711 18.184
96 H CYS 14 HN CYS 14 16.077 20.449 18.967
97 HA CYS 14 HA CYS 14 15.758 17.611 19.090
98 HB2 CYS 14 HB2 CYS 14 17.992 19.381 20.199
99 HB3 CYS 14 HB1 CYS 14 17.987 17.582 20.131
Start of MODEL 11
1 H1 CYS 1 HT1 CYS 1 10.533 17.427 13.784
2 H2 CYS 1 HT2 CYS 1 11.873 16.598 14.336
3 H3 CYS 1 HT3 CYS 1 11.525 16.600 12.685
4 HA CYS 1 HA CYS 1 12.044 18.858 12.475
5 HB2 CYS 1 HB2 CYS 1 11.055 19.522 14.646
6 HB3 CYS 1 HB1 CYS 1 12.414 18.784 15.497
7 H ASN 2 HN ASN 2 14.371 19.887 12.997
8 HA ASN 2 HA ASN 2 16.029 17.721 11.778
9 HB2 ASN 2 HB2 ASN 2 17.698 19.599 11.285
10 HB3 ASN 2 HB1 ASN 2 16.282 19.448 10.284
11 HD21 ASN 2 HD21 ASN 2 17.229 21.042 13.444
12 HD22 ASN 2 HD22 ASN 2 16.606 22.583 12.921
13 H CYS 3 HN CYS 3 15.939 16.784 14.059
14 HA CYS 3 HA CYS 3 17.899 18.007 15.825
15 HB2 CYS 3 HB2 CYS 3 15.838 17.365 16.860
16 HB3 CYS 3 HB1 CYS 3 15.968 15.723 16.258
17 H SER 4 HN SER 4 19.560 17.636 13.996
18 HA SER 4 HA SER 4 20.795 15.030 14.299
19 HB2 SER 4 HB2 SER 4 20.769 16.303 12.117
20 HB3 SER 4 HB1 SER 4 21.931 17.442 12.866
21 HG SER 4 HG SER 4 23.076 15.864 11.841
22 H ARG 5 HN ARG 5 23.299 15.316 14.692
23 HA ARG 5 HA ARG 5 23.588 16.801 17.185
24 HB2 ARG 5 HB2 ARG 5 25.303 14.662 15.917
25 HB3 ARG 5 HB1 ARG 5 25.726 15.499 17.426
26 HG2 ARG 5 HG2 ARG 5 23.808 14.687 18.627
27 HG3 ARG 5 HG1 ARG 5 23.029 14.053 17.146
28 HD2 ARG 5 HD2 ARG 5 24.715 12.292 16.940
29 HD3 ARG 5 HD1 ARG 5 25.697 12.974 18.291
30 HE ARG 5 HE ARG 5 22.941 11.714 18.527
31 HH11 ARG 5 HH21 ARG 5 25.429 13.563 20.301
32 HH12 ARG 5 HH22 ARG 5 24.947 12.908 21.823
33 HH21 ARG 5 HH11 ARG 5 22.730 10.531 20.459
34 HH22 ARG 5 HH12 ARG 5 23.414 11.188 21.917
35 H TRP 6 HN TRP 6 25.083 17.041 13.892
36 HA TRP 6 HA TRP 6 27.212 18.449 14.897
37 HB2 TRP 6 HB2 TRP 6 26.165 18.048 12.079
38 HB3 TRP 6 HB1 TRP 6 27.311 19.393 12.417
39 HD1 TRP 6 HD1 TRP 6 27.709 15.754 11.608
40 HE1 TRP 6 HE1 TRP 6 30.159 15.158 12.125
41 HE3 TRP 6 HE3 TRP 6 28.962 19.901 14.206
42 HZ2 TRP 6 HZ2 TRP 6 32.273 16.241 13.693
43 HZ3 TRP 6 HZ3 TRP 6 31.205 20.107 15.144
44 HH2 TRP 6 HH2 TRP 6 32.845 18.294 14.897
45 H ALA 7 HN ALA 7 24.272 20.013 13.368
46 HA ALA 7 HA ALA 7 25.344 22.518 14.272
47 HB1 ALA 7 HB1 ALA 7 23.296 23.509 13.415
48 HB2 ALA 7 HB2 ALA 7 22.681 21.856 12.967
49 HB3 ALA 7 HB3 ALA 7 24.180 22.525 12.195
50 H ARG 8 HN ARG 8 25.489 22.651 16.409
51 HA ARG 8 HA ARG 8 23.571 21.632 18.247
52 HB2 ARG 8 HB2 ARG 8 25.777 21.266 18.803
53 HB3 ARG 8 HB1 ARG 8 26.361 22.816 18.139
54 HG2 ARG 8 HG2 ARG 8 25.473 24.096 19.919
55 HG3 ARG 8 HG1 ARG 8 24.699 22.644 20.698
56 HD2 ARG 8 HD2 ARG 8 27.003 21.575 20.683
57 HD3 ARG 8 HD1 ARG 8 27.736 23.203 20.332
58 HE ARG 8 HE ARG 8 26.146 23.876 22.420
59 HH11 ARG 8 HH11 ARG 8 28.583 21.313 22.259
60 HH12 ARG 8 HH12 ARG 8 28.466 20.901 23.936
61 HH21 ARG 8 HH21 ARG 8 26.078 23.397 24.675
62 HH22 ARG 8 HH22 ARG 8 27.048 22.112 25.317
63 H ASP 9 HN ASP 9 24.615 24.762 17.002
64 HA ASP 9 HA ASP 9 23.202 26.329 18.877
65 HB2 ASP 9 HB2 ASP 9 24.091 26.999 15.992
66 HB3 ASP 9 HB1 ASP 9 23.349 28.179 17.125
67 H HIS 10 HN HIS 10 22.431 25.214 15.644
68 HA HIS 10 HA HIS 10 20.287 26.944 15.221
69 HB2 HIS 10 HB2 HIS 10 20.603 24.271 13.745
70 HB3 HIS 10 HB1 HIS 10 19.784 25.773 13.203
71 HD1 HIS 10 HD1 HIS 10 21.817 24.492 11.436
72 HD2 HIS 10 HD2 HIS 10 22.661 27.634 14.081
73 HE1 HIS 10 HE1 HIS 10 23.698 25.936 10.402
74 H SER 11 HN SER 11 18.952 26.854 16.901
75 HA SER 11 HA SER 11 18.130 25.191 18.601
76 HB2 SER 11 HB2 SER 11 15.854 26.316 18.730
77 HB3 SER 11 HB1 SER 11 17.298 27.365 18.744
78 HG SER 11 HG SER 11 15.696 28.125 17.387
79 H ARG 12 HN ARG 12 18.207 23.003 17.957
80 HA ARG 12 HA ARG 12 16.309 22.137 16.094
81 HB2 ARG 12 HB2 ARG 12 17.651 20.204 18.025
82 HB3 ARG 12 HB1 ARG 12 17.028 19.889 16.424
83 HG2 ARG 12 HG2 ARG 12 19.000 20.876 15.359
84 HG3 ARG 12 HG1 ARG 12 19.350 21.891 16.763
85 HD2 ARG 12 HD2 ARG 12 19.604 18.830 16.824
86 HD3 ARG 12 HD1 ARG 12 20.958 19.984 16.483
87 HE ARG 12 HE ARG 12 19.880 20.994 18.824
88 HH11 ARG 12 HH11 ARG 12 21.503 17.969 17.837
89 HH12 ARG 12 HH12 ARG 12 22.174 17.731 19.433
90 HH21 ARG 12 HH21 ARG 12 20.229 20.153 20.975
91 HH22 ARG 12 HH22 ARG 12 21.386 18.901 21.179
92 H CYS 13 HN CYS 13 14.287 20.836 16.431
93 HA CYS 13 HA CYS 13 13.255 21.149 19.060
94 HB2 CYS 13 HB2 CYS 13 11.596 19.822 16.937
95 HB3 CYS 13 HB1 CYS 13 11.164 21.024 18.191
96 H CYS 14 HN CYS 14 14.598 19.415 20.171
97 HA CYS 14 HA CYS 14 14.431 16.771 18.965
98 HB2 CYS 14 HB2 CYS 14 15.923 17.736 21.433
99 HB3 CYS 14 HB1 CYS 14 16.060 16.129 20.612
Start of MODEL 12
1 H1 CYS 1 HT1 CYS 1 11.237 17.470 12.617
2 H2 CYS 1 HT2 CYS 1 12.434 16.492 13.299
3 H3 CYS 1 HT3 CYS 1 12.423 16.785 11.658
4 HA CYS 1 HA CYS 1 12.835 19.071 11.942
5 HB2 CYS 1 HB2 CYS 1 11.563 19.229 14.097
6 HB3 CYS 1 HB1 CYS 1 12.924 18.507 14.949
7 H ASN 2 HN ASN 2 15.000 20.109 12.556
8 HA ASN 2 HA ASN 2 17.004 18.015 11.955
9 HB2 ASN 2 HB2 ASN 2 18.159 20.743 12.122
10 HB3 ASN 2 HB1 ASN 2 18.391 19.433 11.007
11 HD21 ASN 2 HD21 ASN 2 16.350 22.359 11.580
12 HD22 ASN 2 HD22 ASN 2 15.903 22.377 9.913
13 H CYS 3 HN CYS 3 16.205 17.384 14.273
14 HA CYS 3 HA CYS 3 18.216 18.229 16.205
15 HB2 CYS 3 HB2 CYS 3 16.053 17.622 17.145
16 HB3 CYS 3 HB1 CYS 3 16.081 16.056 16.317
17 H SER 4 HN SER 4 19.753 17.801 14.208
18 HA SER 4 HA SER 4 20.532 15.078 13.959
19 HB2 SER 4 HB2 SER 4 22.362 17.347 13.115
20 HB3 SER 4 HB1 SER 4 22.019 15.783 12.311
21 HG SER 4 HG SER 4 21.157 17.649 11.320
22 H ARG 5 HN ARG 5 23.051 14.629 14.335
23 HA ARG 5 HA ARG 5 23.476 15.155 17.110
24 HB2 ARG 5 HB2 ARG 5 25.176 13.731 15.026
25 HB3 ARG 5 HB1 ARG 5 25.711 13.973 16.698
26 HG2 ARG 5 HG2 ARG 5 24.008 12.644 17.665
27 HG3 ARG 5 HG1 ARG 5 22.999 12.637 16.200
28 HD2 ARG 5 HD2 ARG 5 24.572 11.171 15.020
29 HD3 ARG 5 HD1 ARG 5 25.759 11.262 16.378
30 HE ARG 5 HE ARG 5 23.978 10.258 17.868
31 HH11 ARG 5 HH21 ARG 5 23.590 9.660 14.343
32 HH12 ARG 5 HH22 ARG 5 22.960 8.081 14.635
33 HH21 ARG 5 HH11 ARG 5 23.217 8.074 18.071
34 HH22 ARG 5 HH12 ARG 5 23.058 7.135 16.627
35 H TRP 6 HN TRP 6 25.125 16.293 14.120
36 HA TRP 6 HA TRP 6 26.613 18.178 15.715
37 HB2 TRP 6 HB2 TRP 6 26.941 17.070 12.998
38 HB3 TRP 6 HB1 TRP 6 27.140 18.846 13.072
39 HD1 TRP 6 HD1 TRP 6 29.475 16.063 13.532
40 HE1 TRP 6 HE1 TRP 6 31.568 17.093 14.601
41 HE3 TRP 6 HE3 TRP 6 27.490 20.461 15.027
42 HZ2 TRP 6 HZ2 TRP 6 32.199 19.379 16.165
43 HZ3 TRP 6 HZ3 TRP 6 28.891 22.074 16.210
44 HH2 TRP 6 HH2 TRP 6 31.212 21.531 16.806
45 H ALA 7 HN ALA 7 24.207 19.065 16.444
46 HA ALA 7 HA ALA 7 23.276 20.992 14.526
47 HB1 ALA 7 HB1 ALA 7 21.747 21.727 16.209
48 HB2 ALA 7 HB2 ALA 7 22.518 20.654 17.449
49 HB3 ALA 7 HB3 ALA 7 21.677 19.947 16.001
50 H ARG 8 HN ARG 8 24.550 22.655 14.108
51 HA ARG 8 HA ARG 8 26.246 23.965 16.020
52 HB2 ARG 8 HB2 ARG 8 26.598 25.690 14.472
53 HB3 ARG 8 HB1 ARG 8 26.817 24.070 13.755
54 HG2 ARG 8 HG2 ARG 8 24.917 24.248 12.353
55 HG3 ARG 8 HG1 ARG 8 24.236 25.664 13.191
56 HD2 ARG 8 HD2 ARG 8 27.060 25.776 12.151
57 HD3 ARG 8 HD1 ARG 8 25.696 26.005 10.938
58 HE ARG 8 HE ARG 8 24.865 27.755 12.799
59 HH11 ARG 8 HH11 ARG 8 28.271 27.487 11.760
60 HH12 ARG 8 HH12 ARG 8 28.641 29.010 12.453
61 HH21 ARG 8 HH21 ARG 8 25.431 29.637 13.635
62 HH22 ARG 8 HH22 ARG 8 27.106 30.076 13.854
63 H ASP 9 HN ASP 9 23.131 24.518 14.600
64 HA ASP 9 HA ASP 9 22.686 26.913 16.118
65 HB2 ASP 9 HB2 ASP 9 22.218 26.620 13.657
66 HB3 ASP 9 HB1 ASP 9 20.866 25.513 14.091
67 H HIS 10 HN HIS 10 21.073 27.258 17.662
68 HA HIS 10 HA HIS 10 20.431 24.849 19.143
69 HB2 HIS 10 HB2 HIS 10 19.912 26.246 21.046
70 HB3 HIS 10 HB1 HIS 10 21.519 26.665 20.390
71 HD1 HIS 10 HD1 HIS 10 20.052 28.588 22.186
72 HD2 HIS 10 HD2 HIS 10 20.035 28.819 17.995
73 HE1 HIS 10 HE1 HIS 10 19.892 31.086 21.491
74 H SER 11 HN SER 11 18.792 26.336 16.799
75 HA SER 11 HA SER 11 16.235 26.584 17.975
76 HB2 SER 11 HB2 SER 11 15.376 26.589 15.599
77 HB3 SER 11 HB1 SER 11 16.647 27.785 15.942
78 HG SER 11 HG SER 11 18.083 26.638 14.860
79 H ARG 12 HN ARG 12 17.898 23.743 17.426
80 HA ARG 12 HA ARG 12 16.088 22.304 16.021
81 HB2 ARG 12 HB2 ARG 12 17.390 20.209 17.082
82 HB3 ARG 12 HB1 ARG 12 18.141 21.345 15.960
83 HG2 ARG 12 HG2 ARG 12 19.652 20.774 17.720
84 HG3 ARG 12 HG1 ARG 12 19.306 22.513 17.851
85 HD2 ARG 12 HD2 ARG 12 17.721 20.438 19.402
86 HD3 ARG 12 HD1 ARG 12 19.411 20.800 19.963
87 HE ARG 12 HE ARG 12 17.055 22.693 19.905
88 HH11 ARG 12 HH11 ARG 12 20.481 22.271 20.976
89 HH12 ARG 12 HH12 ARG 12 20.174 23.110 22.455
90 HH21 ARG 12 HH21 ARG 12 16.983 24.224 21.559
91 HH22 ARG 12 HH22 ARG 12 18.313 24.425 22.613
92 H CYS 13 HN CYS 13 14.520 20.618 16.360
93 HA CYS 13 HA CYS 13 13.190 20.885 18.869
94 HB2 CYS 13 HB2 CYS 13 12.098 19.283 16.555
95 HB3 CYS 13 HB1 CYS 13 11.278 20.295 17.763
96 H CYS 14 HN CYS 14 14.802 19.501 20.101
97 HA CYS 14 HA CYS 14 14.809 16.713 19.245
98 HB2 CYS 14 HB2 CYS 14 16.242 17.963 21.608
99 HB3 CYS 14 HB1 CYS 14 16.364 16.280 20.952
Start of MODEL 13
1 H1 CYS 1 HT1 CYS 1 11.718 18.160 12.821
2 H2 CYS 1 HT2 CYS 1 12.958 17.281 13.492
3 H3 CYS 1 HT3 CYS 1 12.838 17.396 11.820
4 HA CYS 1 HA CYS 1 13.235 19.763 11.924
5 HB2 CYS 1 HB2 CYS 1 12.409 19.574 14.540
6 HB3 CYS 1 HB1 CYS 1 14.132 19.506 14.849
7 H ASN 2 HN ASN 2 15.642 20.584 13.179
8 HA ASN 2 HA ASN 2 17.525 18.711 11.866
9 HB2 ASN 2 HB2 ASN 2 19.062 20.769 13.125
10 HB3 ASN 2 HB1 ASN 2 18.808 20.427 11.429
11 HD21 ASN 2 HD21 ASN 2 17.315 22.393 14.205
12 HD22 ASN 2 HD22 ASN 2 16.959 23.621 13.046
13 H CYS 3 HN CYS 3 16.620 17.092 13.488
14 HA CYS 3 HA CYS 3 17.790 17.374 16.129
15 HB2 CYS 3 HB2 CYS 3 15.448 16.665 15.975
16 HB3 CYS 3 HB1 CYS 3 15.921 15.228 15.053
17 H SER 4 HN SER 4 19.753 17.436 14.448
18 HA SER 4 HA SER 4 21.101 14.922 14.191
19 HB2 SER 4 HB2 SER 4 22.782 16.567 13.057
20 HB3 SER 4 HB1 SER 4 21.171 16.423 12.327
21 HG SER 4 HG SER 4 21.913 18.600 12.669
22 H ARG 5 HN ARG 5 23.299 14.723 15.123
23 HA ARG 5 HA ARG 5 23.457 15.826 17.755
24 HB2 ARG 5 HB2 ARG 5 25.472 14.204 16.133
25 HB3 ARG 5 HB1 ARG 5 25.779 14.789 17.788
26 HG2 ARG 5 HG2 ARG 5 24.029 13.440 18.742
27 HG3 ARG 5 HG1 ARG 5 23.368 12.976 17.155
28 HD2 ARG 5 HD2 ARG 5 26.150 12.185 18.218
29 HD3 ARG 5 HD1 ARG 5 24.691 11.140 18.184
30 HE ARG 5 HE ARG 5 26.399 11.945 15.907
31 HH11 ARG 5 HH21 ARG 5 23.397 10.241 16.866
32 HH12 ARG 5 HH22 ARG 5 23.773 8.960 15.765
33 HH21 ARG 5 HH11 ARG 5 26.211 10.810 13.986
34 HH22 ARG 5 HH12 ARG 5 25.203 9.411 13.921
35 H TRP 6 HN TRP 6 25.292 16.435 14.712
36 HA TRP 6 HA TRP 6 26.232 18.912 15.812
37 HB2 TRP 6 HB2 TRP 6 26.822 17.354 13.311
38 HB3 TRP 6 HB1 TRP 6 26.822 19.128 13.166
39 HD1 TRP 6 HD1 TRP 6 29.338 16.604 14.451
40 HE1 TRP 6 HE1 TRP 6 31.228 18.011 15.502
41 HE3 TRP 6 HE3 TRP 6 26.936 21.031 14.692
42 HZ2 TRP 6 HZ2 TRP 6 31.603 20.684 16.357
43 HZ3 TRP 6 HZ3 TRP 6 28.090 22.989 15.641
44 HH2 TRP 6 HH2 TRP 6 30.377 22.807 16.478
45 H ALA 7 HN ALA 7 23.671 19.312 16.335
46 HA ALA 7 HA ALA 7 22.666 20.967 14.205
47 HB1 ALA 7 HB1 ALA 7 21.908 20.764 17.139
48 HB2 ALA 7 HB2 ALA 7 21.077 20.048 15.696
49 HB3 ALA 7 HB3 ALA 7 21.130 21.837 15.899
50 H ARG 8 HN ARG 8 24.269 22.361 13.583
51 HA ARG 8 HA ARG 8 25.903 23.858 15.283
52 HB2 ARG 8 HB2 ARG 8 26.662 24.901 13.410
53 HB3 ARG 8 HB1 ARG 8 26.183 23.245 12.902
54 HG2 ARG 8 HG2 ARG 8 24.105 24.181 11.807
55 HG3 ARG 8 HG1 ARG 8 24.615 25.825 12.354
56 HD2 ARG 8 HD2 ARG 8 26.888 25.290 11.297
57 HD3 ARG 8 HD1 ARG 8 26.088 23.930 10.403
58 HE ARG 8 HE ARG 8 24.614 26.509 10.149
59 HH11 ARG 8 HH21 ARG 8 27.450 24.792 8.832
60 HH12 ARG 8 HH22 ARG 8 27.516 25.776 7.463
61 HH21 ARG 8 HH11 ARG 8 24.676 27.703 8.296
62 HH22 ARG 8 HH12 ARG 8 25.791 27.304 7.001
63 H ASP 9 HN ASP 9 22.723 24.229 14.113
64 HA ASP 9 HA ASP 9 22.256 26.901 14.970
65 HB2 ASP 9 HB2 ASP 9 21.039 25.504 13.130
66 HB3 ASP 9 HB1 ASP 9 20.143 24.710 14.476
67 H HIS 10 HN HIS 10 20.522 27.432 16.517
68 HA HIS 10 HA HIS 10 21.074 26.170 19.060
69 HB2 HIS 10 HB2 HIS 10 19.591 27.917 20.038
70 HB3 HIS 10 HB1 HIS 10 20.998 28.572 19.174
71 HD1 HIS 10 HD1 HIS 10 18.558 30.228 19.817
72 HD2 HIS 10 HD2 HIS 10 19.502 28.662 16.039
73 HE1 HIS 10 HE1 HIS 10 17.765 31.887 17.993
74 H SER 11 HN SER 11 18.432 26.143 16.669
75 HA SER 11 HA SER 11 16.518 25.259 18.544
76 HB2 SER 11 HB2 SER 11 16.504 25.296 15.513
77 HB3 SER 11 HB1 SER 11 15.094 24.895 16.554
78 HG SER 11 HG SER 11 15.393 26.928 17.553
79 H ARG 12 HN ARG 12 17.497 23.383 19.500
80 HA ARG 12 HA ARG 12 17.599 20.983 17.880
81 HB2 ARG 12 HB2 ARG 12 17.907 20.976 20.904
82 HB3 ARG 12 HB1 ARG 12 18.326 19.755 19.744
83 HG2 ARG 12 HG2 ARG 12 20.302 20.983 19.002
84 HG3 ARG 12 HG1 ARG 12 19.638 22.539 19.505
85 HD2 ARG 12 HD2 ARG 12 20.390 20.378 21.561
86 HD3 ARG 12 HD1 ARG 12 21.531 21.605 20.872
87 HE ARG 12 HE ARG 12 18.969 22.721 21.927
88 HH11 ARG 12 HH21 ARG 12 22.332 21.885 22.791
89 HH12 ARG 12 HH22 ARG 12 22.563 23.306 23.753
90 HH21 ARG 12 HH11 ARG 12 19.332 24.611 23.163
91 HH22 ARG 12 HH12 ARG 12 20.792 24.798 24.074
92 H CYS 13 HN CYS 13 15.315 20.862 17.192
93 HA CYS 13 HA CYS 13 13.350 21.580 19.042
94 HB2 CYS 13 HB2 CYS 13 12.644 20.294 16.413
95 HB3 CYS 13 HB1 CYS 13 11.913 21.701 17.227
96 H CYS 14 HN CYS 14 14.858 18.767 18.849
97 HA CYS 14 HA CYS 14 13.516 16.738 17.937
98 HB2 CYS 14 HB2 CYS 14 14.976 16.744 20.606
99 HB3 CYS 14 HB1 CYS 14 14.696 15.309 19.555
Start of MODEL 14
1 H1 CYS 1 HT1 CYS 1 11.790 17.150 11.702
2 H2 CYS 1 HT2 CYS 1 12.523 16.424 13.031
3 H3 CYS 1 HT3 CYS 1 13.112 16.173 11.464
4 HA CYS 1 HA CYS 1 13.427 18.670 11.377
5 HB2 CYS 1 HB2 CYS 1 12.111 19.131 13.424
6 HB3 CYS 1 HB1 CYS 1 13.281 18.266 14.413
7 H ASN 2 HN ASN 2 15.547 19.580 12.171
8 HA ASN 2 HA ASN 2 17.577 17.464 11.639
9 HB2 ASN 2 HB2 ASN 2 19.186 19.568 11.685
10 HB3 ASN 2 HB1 ASN 2 18.313 19.079 10.252
11 HD21 ASN 2 HD21 ASN 2 17.683 21.143 13.276
12 HD22 ASN 2 HD22 ASN 2 17.273 22.479 12.247
13 H CYS 3 HN CYS 3 16.373 17.004 14.025
14 HA CYS 3 HA CYS 3 18.290 17.797 16.058
15 HB2 CYS 3 HB2 CYS 3 15.947 17.382 16.798
16 HB3 CYS 3 HB1 CYS 3 16.041 15.733 16.150
17 H SER 4 HN SER 4 19.789 17.039 14.089
18 HA SER 4 HA SER 4 20.573 14.262 14.539
19 HB2 SER 4 HB2 SER 4 20.512 15.321 12.243
20 HB3 SER 4 HB1 SER 4 21.945 16.267 12.736
21 HG SER 4 HG SER 4 21.719 13.687 11.960
22 H ARG 5 HN ARG 5 23.293 14.288 14.595
23 HA ARG 5 HA ARG 5 23.812 15.432 17.140
24 HB2 ARG 5 HB2 ARG 5 24.672 13.245 16.464
25 HB3 ARG 5 HB1 ARG 5 25.636 13.976 15.156
26 HG2 ARG 5 HG2 ARG 5 26.949 15.279 16.912
27 HG3 ARG 5 HG1 ARG 5 25.997 14.430 18.181
28 HD2 ARG 5 HD2 ARG 5 26.924 12.225 17.411
29 HD3 ARG 5 HD1 ARG 5 27.822 13.080 16.081
30 HE ARG 5 HE ARG 5 28.473 14.310 18.640
31 HH11 ARG 5 HH21 ARG 5 29.184 11.360 16.706
32 HH12 ARG 5 HH22 ARG 5 30.650 11.058 17.599
33 HH21 ARG 5 HH11 ARG 5 30.090 13.483 19.999
34 HH22 ARG 5 HH12 ARG 5 31.238 12.335 19.339
35 H TRP 6 HN TRP 6 24.851 16.341 13.807
36 HA TRP 6 HA TRP 6 26.354 18.508 14.884
37 HB2 TRP 6 HB2 TRP 6 25.960 17.390 12.103
38 HB3 TRP 6 HB1 TRP 6 26.330 19.128 12.256
39 HD1 TRP 6 HD1 TRP 6 28.482 16.141 12.047
40 HE1 TRP 6 HE1 TRP 6 30.843 16.932 12.737
41 HE3 TRP 6 HE3 TRP 6 27.222 20.573 14.106
42 HZ2 TRP 6 HZ2 TRP 6 31.972 19.109 14.137
43 HZ3 TRP 6 HZ3 TRP 6 28.978 22.009 15.035
44 HH2 TRP 6 HH2 TRP 6 31.318 21.277 15.072
45 H ALA 7 HN ALA 7 23.876 18.840 15.977
46 HA ALA 7 HA ALA 7 22.708 21.012 14.476
47 HB1 ALA 7 HB1 ALA 7 21.233 19.483 15.647
48 HB2 ALA 7 HB2 ALA 7 21.097 21.166 16.270
49 HB3 ALA 7 HB3 ALA 7 22.010 19.909 17.226
50 H ARG 8 HN ARG 8 24.137 22.639 14.292
51 HA ARG 8 HA ARG 8 25.771 23.630 16.417
52 HB2 ARG 8 HB2 ARG 8 26.724 23.384 14.268
53 HB3 ARG 8 HB1 ARG 8 25.280 24.005 13.427
54 HG2 ARG 8 HG2 ARG 8 25.599 26.217 14.193
55 HG3 ARG 8 HG1 ARG 8 27.044 25.771 15.203
56 HD2 ARG 8 HD2 ARG 8 27.993 24.754 13.001
57 HD3 ARG 8 HD1 ARG 8 26.804 25.776 12.099
58 HE ARG 8 HE ARG 8 29.150 26.725 13.736
59 HH11 ARG 8 HH21 ARG 8 26.058 27.841 12.266
60 HH12 ARG 8 HH22 ARG 8 26.643 29.467 12.131
61 HH21 ARG 8 HH11 ARG 8 29.920 28.734 13.108
62 HH22 ARG 8 HH12 ARG 8 28.852 30.002 12.650
63 H ASP 9 HN ASP 9 22.862 24.379 14.612
64 HA ASP 9 HA ASP 9 22.497 26.982 15.610
65 HB2 ASP 9 HB2 ASP 9 20.481 25.029 14.377
66 HB3 ASP 9 HB1 ASP 9 20.152 26.774 14.695
67 H HIS 10 HN HIS 10 20.825 27.766 17.045
68 HA HIS 10 HA HIS 10 21.095 26.273 19.476
69 HB2 HIS 10 HB2 HIS 10 19.892 28.253 20.534
70 HB3 HIS 10 HB1 HIS 10 21.388 28.732 19.707
71 HD1 HIS 10 HD1 HIS 10 17.907 29.502 19.610
72 HD2 HIS 10 HD2 HIS 10 21.379 30.148 17.358
73 HE1 HIS 10 HE1 HIS 10 17.564 31.637 18.153
74 H SER 11 HN SER 11 18.264 27.370 17.532
75 HA SER 11 HA SER 11 16.429 26.155 19.302
76 HB2 SER 11 HB2 SER 11 14.751 26.768 17.549
77 HB3 SER 11 HB1 SER 11 15.761 28.120 18.144
78 HG SER 11 HG SER 11 16.319 26.622 15.815
79 H ARG 12 HN ARG 12 17.258 23.916 19.314
80 HA ARG 12 HA ARG 12 16.806 22.460 16.852
81 HB2 ARG 12 HB2 ARG 12 17.309 21.027 19.505
82 HB3 ARG 12 HB1 ARG 12 17.624 20.482 17.862
83 HG2 ARG 12 HG2 ARG 12 19.607 22.035 17.691
84 HG3 ARG 12 HG1 ARG 12 19.190 22.717 19.284
85 HD2 ARG 12 HD2 ARG 12 19.812 19.733 18.791
86 HD3 ARG 12 HD1 ARG 12 21.061 20.945 19.251
87 HE ARG 12 HE ARG 12 19.236 19.657 21.051
88 HH11 ARG 12 HH21 ARG 12 21.301 22.531 20.673
89 HH12 ARG 12 HH22 ARG 12 21.278 22.752 22.396
90 HH21 ARG 12 HH11 ARG 12 19.108 20.224 23.192
91 HH22 ARG 12 HH12 ARG 12 20.251 21.433 23.753
92 H CYS 13 HN CYS 13 15.127 20.673 16.633
93 HA CYS 13 HA CYS 13 12.808 21.368 18.190
94 HB2 CYS 13 HB2 CYS 13 12.958 19.209 16.052
95 HB3 CYS 13 HB1 CYS 13 11.546 20.101 16.652
96 H CYS 14 HN CYS 14 15.249 19.649 19.206
97 HA CYS 14 HA CYS 14 14.445 17.012 19.166
98 HB2 CYS 14 HB2 CYS 14 16.259 18.339 21.257
99 HB3 CYS 14 HB1 CYS 14 16.223 16.606 20.748
Start of MODEL 15
1 H1 CYS 1 HT1 CYS 1 12.803 15.919 13.712
2 H2 CYS 1 HT2 CYS 1 11.957 15.991 12.264
3 H3 CYS 1 HT3 CYS 1 11.259 16.614 13.644
4 HA CYS 1 HA CYS 1 12.132 18.285 12.129
5 HB2 CYS 1 HB2 CYS 1 12.118 18.295 14.887
6 HB3 CYS 1 HB1 CYS 1 13.801 18.637 14.658
7 H ASN 2 HN ASN 2 14.634 19.559 12.394
8 HA ASN 2 HA ASN 2 16.401 17.528 11.090
9 HB2 ASN 2 HB2 ASN 2 17.421 20.361 11.354
10 HB3 ASN 2 HB1 ASN 2 17.881 19.021 10.351
11 HD21 ASN 2 HD21 ASN 2 15.749 21.849 10.266
12 HD22 ASN 2 HD22 ASN 2 15.014 21.312 8.804
13 H CYS 3 HN CYS 3 16.021 16.640 13.530
14 HA CYS 3 HA CYS 3 17.906 17.712 15.397
15 HB2 CYS 3 HB2 CYS 3 15.782 16.860 16.253
16 HB3 CYS 3 HB1 CYS 3 16.176 15.250 15.617
17 H SER 4 HN SER 4 19.754 17.440 13.807
18 HA SER 4 HA SER 4 20.915 14.789 13.904
19 HB2 SER 4 HB2 SER 4 22.070 17.383 12.752
20 HB3 SER 4 HB1 SER 4 22.656 15.702 12.481
21 HG SER 4 HG SER 4 21.038 15.267 11.263
22 H ARG 5 HN ARG 5 23.061 14.482 14.733
23 HA ARG 5 HA ARG 5 23.500 15.425 17.308
24 HB2 ARG 5 HB2 ARG 5 25.327 13.967 15.341
25 HB3 ARG 5 HB1 ARG 5 25.932 14.520 16.904
26 HG2 ARG 5 HG2 ARG 5 24.457 13.177 18.193
27 HG3 ARG 5 HG1 ARG 5 23.516 12.654 16.760
28 HD2 ARG 5 HD2 ARG 5 25.340 11.345 15.908
29 HD3 ARG 5 HD1 ARG 5 26.547 12.117 17.007
30 HE ARG 5 HE ARG 5 24.303 10.280 17.911
31 HH11 ARG 5 HH21 ARG 5 27.507 11.736 18.693
32 HH12 ARG 5 HH22 ARG 5 27.337 11.332 20.365
33 HH21 ARG 5 HH11 ARG 5 24.196 9.800 20.130
34 HH22 ARG 5 HH12 ARG 5 25.454 10.363 21.155
35 H TRP 6 HN TRP 6 25.011 16.421 14.251
36 HA TRP 6 HA TRP 6 26.536 18.485 15.478
37 HB2 TRP 6 HB2 TRP 6 26.307 17.383 12.730
38 HB3 TRP 6 HB1 TRP 6 26.403 19.154 12.776
39 HD1 TRP 6 HD1 TRP 6 28.908 16.348 13.055
40 HE1 TRP 6 HE1 TRP 6 31.149 17.490 13.690
41 HE3 TRP 6 HE3 TRP 6 27.107 20.852 14.433
42 HZ2 TRP 6 HZ2 TRP 6 31.998 19.999 14.657
43 HZ3 TRP 6 HZ3 TRP 6 28.652 22.577 15.247
44 HH2 TRP 6 HH2 TRP 6 31.059 22.147 15.372
45 H ALA 7 HN ALA 7 24.302 19.058 16.711
46 HA ALA 7 HA ALA 7 22.787 21.048 15.376
47 HB1 ALA 7 HB1 ALA 7 21.879 21.491 17.593
48 HB2 ALA 7 HB2 ALA 7 23.082 20.347 18.325
49 HB3 ALA 7 HB3 ALA 7 21.833 19.742 17.163
50 H ARG 8 HN ARG 8 24.026 22.624 14.518
51 HA ARG 8 HA ARG 8 26.169 23.953 15.928
52 HB2 ARG 8 HB2 ARG 8 26.675 23.749 13.713
53 HB3 ARG 8 HB1 ARG 8 24.984 23.693 13.186
54 HG2 ARG 8 HG2 ARG 8 24.686 26.092 13.447
55 HG3 ARG 8 HG1 ARG 8 26.436 26.279 13.924
56 HD2 ARG 8 HD2 ARG 8 26.989 24.978 11.841
57 HD3 ARG 8 HD1 ARG 8 25.290 25.155 11.243
58 HE ARG 8 HE ARG 8 27.334 27.342 11.474
59 HH11 ARG 8 HH21 ARG 8 23.772 27.154 11.485
60 HH12 ARG 8 HH22 ARG 8 23.608 28.174 10.148
61 HH21 ARG 8 HH11 ARG 8 27.029 28.679 9.663
62 HH22 ARG 8 HH12 ARG 8 25.449 29.193 9.212
63 H ASP 9 HN ASP 9 22.890 24.473 14.795
64 HA ASP 9 HA ASP 9 22.784 27.145 15.850
65 HB2 ASP 9 HB2 ASP 9 20.461 25.523 14.690
66 HB3 ASP 9 HB1 ASP 9 20.625 27.320 14.751
67 H HIS 10 HN HIS 10 21.336 27.827 17.554
68 HA HIS 10 HA HIS 10 20.978 25.838 19.562
69 HB2 HIS 10 HB2 HIS 10 19.872 27.520 20.948
70 HB3 HIS 10 HB1 HIS 10 21.436 28.098 20.365
71 HD1 HIS 10 HD1 HIS 10 19.346 29.985 21.380
72 HD2 HIS 10 HD2 HIS 10 19.849 29.172 17.302
73 HE1 HIS 10 HE1 HIS 10 18.919 32.172 20.042
74 H SER 11 HN SER 11 18.989 26.912 17.010
75 HA SER 11 HA SER 11 16.472 26.390 18.054
76 HB2 SER 11 HB2 SER 11 17.396 26.391 15.125
77 HB3 SER 11 HB1 SER 11 15.742 26.750 15.733
78 HG SER 11 HG SER 11 16.622 28.526 16.801
79 H ARG 12 HN ARG 12 17.708 24.099 18.735
80 HA ARG 12 HA ARG 12 16.948 22.159 16.767
81 HB2 ARG 12 HB2 ARG 12 18.058 20.422 17.845
82 HB3 ARG 12 HB1 ARG 12 19.018 21.867 18.089
83 HG2 ARG 12 HG2 ARG 12 17.313 21.430 20.509
84 HG3 ARG 12 HG1 ARG 12 17.926 19.903 19.901
85 HD2 ARG 12 HD2 ARG 12 20.273 20.832 19.754
86 HD3 ARG 12 HD1 ARG 12 19.671 22.356 20.509
87 HE ARG 12 HE ARG 12 19.183 21.122 22.565
88 HH11 ARG 12 HH21 ARG 12 20.081 18.659 20.139
89 HH12 ARG 12 HH22 ARG 12 20.518 17.531 21.382
90 HH21 ARG 12 HH11 ARG 12 20.193 19.847 24.014
91 HH22 ARG 12 HH12 ARG 12 20.608 18.195 23.635
92 H CYS 13 HN CYS 13 15.172 20.580 16.886
93 HA CYS 13 HA CYS 13 13.086 21.538 18.622
94 HB2 CYS 13 HB2 CYS 13 12.793 19.344 16.556
95 HB3 CYS 13 HB1 CYS 13 11.596 20.551 17.106
96 H CYS 14 HN CYS 14 15.425 19.227 19.074
97 HA CYS 14 HA CYS 14 14.343 16.876 18.682
98 HB2 CYS 14 HB2 CYS 14 16.336 17.527 20.894
99 HB3 CYS 14 HB1 CYS 14 16.130 15.953 20.052
Start of MODEL 16
1 H1 CYS 1 HT1 CYS 1 14.038 18.508 11.173
2 H2 CYS 1 HT2 CYS 1 12.582 18.994 11.838
3 H3 CYS 1 HT3 CYS 1 13.491 17.775 12.602
4 HA CYS 1 HA CYS 1 14.273 20.585 12.205
5 HB2 CYS 1 HB2 CYS 1 12.353 20.198 13.826
6 HB3 CYS 1 HB1 CYS 1 13.449 19.246 14.840
7 H ASN 2 HN ASN 2 16.129 21.261 13.466
8 HA ASN 2 HA ASN 2 18.223 19.208 12.972
9 HB2 ASN 2 HB2 ASN 2 19.017 22.081 13.613
10 HB3 ASN 2 HB1 ASN 2 19.972 20.676 13.191
11 HD21 ASN 2 HD21 ASN 2 17.115 22.500 11.724
12 HD22 ASN 2 HD22 ASN 2 18.002 22.624 10.239
13 H CYS 3 HN CYS 3 16.769 18.352 14.971
14 HA CYS 3 HA CYS 3 18.698 18.283 17.158
15 HB2 CYS 3 HB2 CYS 3 16.341 17.954 17.740
16 HB3 CYS 3 HB1 CYS 3 16.244 16.585 16.618
17 H SER 4 HN SER 4 20.023 18.004 14.801
18 HA SER 4 HA SER 4 20.269 15.232 14.033
19 HB2 SER 4 HB2 SER 4 21.812 16.338 12.278
20 HB3 SER 4 HB1 SER 4 20.126 16.883 12.304
21 HG SER 4 HG SER 4 22.380 18.259 13.268
22 H ARG 5 HN ARG 5 22.647 14.299 14.020
23 HA ARG 5 HA ARG 5 23.710 14.643 16.542
24 HB2 ARG 5 HB2 ARG 5 25.271 13.135 16.159
25 HB3 ARG 5 HB1 ARG 5 23.993 12.643 15.014
26 HG2 ARG 5 HG2 ARG 5 25.377 13.914 13.195
27 HG3 ARG 5 HG1 ARG 5 26.689 14.043 14.436
28 HD2 ARG 5 HD2 ARG 5 26.852 11.624 14.646
29 HD3 ARG 5 HD1 ARG 5 25.441 11.390 13.536
30 HE ARG 5 HE ARG 5 26.762 12.013 11.669
31 HH11 ARG 5 HH11 ARG 5 28.664 12.784 14.621
32 HH12 ARG 5 HH12 ARG 5 30.134 12.854 13.740
33 HH21 ARG 5 HH21 ARG 5 28.757 12.203 10.575
34 HH22 ARG 5 HH22 ARG 5 30.157 12.739 11.406
35 H TRP 6 HN TRP 6 24.631 16.268 13.505
36 HA TRP 6 HA TRP 6 26.488 17.965 14.956
37 HB2 TRP 6 HB2 TRP 6 26.232 17.129 12.182
38 HB3 TRP 6 HB1 TRP 6 26.234 18.912 12.334
39 HD1 TRP 6 HD1 TRP 6 28.841 16.133 12.458
40 HE1 TRP 6 HE1 TRP 6 30.989 17.167 13.443
41 HE3 TRP 6 HE3 TRP 6 26.935 20.533 14.021
42 HZ2 TRP 6 HZ2 TRP 6 31.807 19.661 14.491
43 HZ3 TRP 6 HZ3 TRP 6 28.412 22.204 15.004
44 HH2 TRP 6 HH2 TRP 6 30.833 21.785 15.233
45 H ALA 7 HN ALA 7 24.410 18.609 16.411
46 HA ALA 7 HA ALA 7 22.637 20.437 15.068
47 HB1 ALA 7 HB1 ALA 7 21.637 18.969 16.650
48 HB2 ALA 7 HB2 ALA 7 21.617 20.640 17.306
49 HB3 ALA 7 HB3 ALA 7 22.828 19.438 17.935
50 H ARG 8 HN ARG 8 23.770 22.218 14.470
51 HA ARG 8 HA ARG 8 25.540 23.495 16.401
52 HB2 ARG 8 HB2 ARG 8 26.454 24.721 14.755
53 HB3 ARG 8 HB1 ARG 8 26.239 23.061 14.153
54 HG2 ARG 8 HG2 ARG 8 24.587 23.672 12.572
55 HG3 ARG 8 HG1 ARG 8 24.257 25.270 13.317
56 HD2 ARG 8 HD2 ARG 8 27.066 24.547 12.449
57 HD3 ARG 8 HD1 ARG 8 25.853 25.168 11.206
58 HE ARG 8 HE ARG 8 26.223 26.714 13.785
59 HH11 ARG 8 HH11 ARG 8 27.201 26.557 10.358
60 HH12 ARG 8 HH12 ARG 8 27.224 28.280 10.181
61 HH21 ARG 8 HH21 ARG 8 26.013 28.978 13.399
62 HH22 ARG 8 HH22 ARG 8 26.514 29.637 11.921
63 H ASP 9 HN ASP 9 22.635 24.106 14.597
64 HA ASP 9 HA ASP 9 22.338 26.774 15.566
65 HB2 ASP 9 HB2 ASP 9 21.782 25.899 13.237
66 HB3 ASP 9 HB1 ASP 9 20.330 25.120 13.946
67 H HIS 10 HN HIS 10 20.159 27.528 16.213
68 HA HIS 10 HA HIS 10 19.584 26.451 18.786
69 HB2 HIS 10 HB2 HIS 10 17.948 28.686 17.472
70 HB3 HIS 10 HB1 HIS 10 18.279 28.393 19.200
71 HD1 HIS 10 HD1 HIS 10 21.239 28.409 19.457
72 HD2 HIS 10 HD2 HIS 10 19.255 30.928 16.755
73 HE1 HIS 10 HE1 HIS 10 22.585 30.611 19.260
74 H SER 11 HN SER 11 18.336 25.790 15.709
75 HA SER 11 HA SER 11 15.651 25.183 16.342
76 HB2 SER 11 HB2 SER 11 15.754 24.166 14.012
77 HB3 SER 11 HB1 SER 11 16.142 25.905 14.144
78 HG SER 11 HG SER 11 17.672 24.831 12.871
79 H ARG 12 HN ARG 12 16.613 23.968 18.248
80 HA ARG 12 HA ARG 12 17.524 21.254 17.558
81 HB2 ARG 12 HB2 ARG 12 18.996 22.594 18.994
82 HB3 ARG 12 HB1 ARG 12 17.652 22.667 20.193
83 HG2 ARG 12 HG2 ARG 12 17.869 20.139 20.399
84 HG3 ARG 12 HG1 ARG 12 19.199 20.182 19.206
85 HD2 ARG 12 HD2 ARG 12 20.585 21.557 20.727
86 HD3 ARG 12 HD1 ARG 12 19.214 21.772 21.870
87 HE ARG 12 HE ARG 12 20.867 19.331 21.482
88 HH11 ARG 12 HH21 ARG 12 17.849 20.656 22.936
89 HH12 ARG 12 HH22 ARG 12 17.675 19.330 24.025
90 HH21 ARG 12 HH11 ARG 12 20.336 17.486 22.684
91 HH22 ARG 12 HH12 ARG 12 19.009 17.499 23.791
92 H CYS 13 HN CYS 13 15.003 21.214 16.987
93 HA CYS 13 HA CYS 13 13.272 20.730 19.180
94 HB2 CYS 13 HB2 CYS 13 12.504 19.637 16.457
95 HB3 CYS 13 HB1 CYS 13 11.515 20.335 17.761
96 H CYS 14 HN CYS 14 14.625 19.068 20.341
97 HA CYS 14 HA CYS 14 14.630 16.450 19.084
98 HB2 CYS 14 HB2 CYS 14 15.433 17.159 21.935
99 HB3 CYS 14 HB1 CYS 14 15.752 15.648 20.993
Start of MODEL 17
1 H1 CYS 1 HT1 CYS 1 11.457 18.973 12.400
2 H2 CYS 1 HT2 CYS 1 12.191 17.767 13.277
3 H3 CYS 1 HT3 CYS 1 12.551 17.956 11.644
4 HA CYS 1 HA CYS 1 13.427 20.218 12.214
5 HB2 CYS 1 HB2 CYS 1 12.161 20.221 14.403
6 HB3 CYS 1 HB1 CYS 1 13.338 19.070 15.048
7 H ASN 2 HN ASN 2 15.694 20.589 12.680
8 HA ASN 2 HA ASN 2 17.094 18.213 11.600
9 HB2 ASN 2 HB2 ASN 2 18.962 20.339 11.572
10 HB3 ASN 2 HB1 ASN 2 18.112 19.613 10.228
11 HD21 ASN 2 HD21 ASN 2 17.507 22.151 12.849
12 HD22 ASN 2 HD22 ASN 2 16.860 23.228 11.665
13 H CYS 3 HN CYS 3 16.575 17.476 13.952
14 HA CYS 3 HA CYS 3 18.854 18.096 15.676
15 HB2 CYS 3 HB2 CYS 3 16.696 17.912 16.817
16 HB3 CYS 3 HB1 CYS 3 16.429 16.333 16.115
17 H SER 4 HN SER 4 20.227 17.227 13.697
18 HA SER 4 HA SER 4 20.586 14.356 14.025
19 HB2 SER 4 HB2 SER 4 20.694 15.463 11.780
20 HB3 SER 4 HB1 SER 4 22.259 16.170 12.282
21 HG SER 4 HG SER 4 22.397 14.113 11.165
22 H ARG 5 HN ARG 5 23.386 14.228 13.777
23 HA ARG 5 HA ARG 5 24.096 14.424 16.471
24 HB2 ARG 5 HB2 ARG 5 24.954 12.698 14.933
25 HB3 ARG 5 HB1 ARG 5 25.855 13.934 14.029
26 HG2 ARG 5 HG2 ARG 5 27.061 14.480 16.284
27 HG3 ARG 5 HG1 ARG 5 26.250 13.036 16.959
28 HD2 ARG 5 HD2 ARG 5 28.253 13.111 14.609
29 HD3 ARG 5 HD1 ARG 5 28.609 12.599 16.296
30 HE ARG 5 HE ARG 5 26.681 10.846 15.899
31 HH11 ARG 5 HH11 ARG 5 28.191 12.057 12.925
32 HH12 ARG 5 HH12 ARG 5 28.412 10.468 12.268
33 HH21 ARG 5 HH21 ARG 5 26.945 8.789 15.000
34 HH22 ARG 5 HH22 ARG 5 27.378 8.664 13.323
35 H TRP 6 HN TRP 6 24.929 16.563 13.720
36 HA TRP 6 HA TRP 6 26.520 18.209 15.505
37 HB2 TRP 6 HB2 TRP 6 26.539 17.715 12.629
38 HB3 TRP 6 HB1 TRP 6 26.481 19.459 13.036
39 HD1 TRP 6 HD1 TRP 6 29.184 17.056 12.500
40 HE1 TRP 6 HE1 TRP 6 31.275 18.413 13.127
41 HE3 TRP 6 HE3 TRP 6 27.008 20.666 15.286
42 HZ2 TRP 6 HZ2 TRP 6 31.960 20.506 14.891
43 HZ3 TRP 6 HZ3 TRP 6 28.417 22.327 16.407
44 HH2 TRP 6 HH2 TRP 6 30.848 22.253 16.216
45 H ALA 7 HN ALA 7 24.240 18.603 16.775
46 HA ALA 7 HA ALA 7 22.573 20.500 15.404
47 HB1 ALA 7 HB1 ALA 7 22.428 19.206 18.150
48 HB2 ALA 7 HB2 ALA 7 21.597 18.684 16.633
49 HB3 ALA 7 HB3 ALA 7 21.164 20.264 17.376
50 H ARG 8 HN ARG 8 24.159 22.184 15.104
51 HA ARG 8 HA ARG 8 25.199 23.532 17.453
52 HB2 ARG 8 HB2 ARG 8 26.537 24.750 16.060
53 HB3 ARG 8 HB1 ARG 8 26.563 23.031 15.545
54 HG2 ARG 8 HG2 ARG 8 25.599 23.462 13.464
55 HG3 ARG 8 HG1 ARG 8 24.768 24.954 13.971
56 HD2 ARG 8 HD2 ARG 8 27.777 24.750 14.138
57 HD3 ARG 8 HD1 ARG 8 27.007 25.203 12.518
58 HE ARG 8 HE ARG 8 25.708 26.895 14.255
59 HH11 ARG 8 HH21 ARG 8 29.257 26.535 13.580
60 HH12 ARG 8 HH22 ARG 8 29.502 28.148 14.225
61 HH21 ARG 8 HH11 ARG 8 26.471 28.570 15.646
62 HH22 ARG 8 HH12 ARG 8 28.020 29.259 15.246
63 H ASP 9 HN ASP 9 22.828 23.810 15.028
64 HA ASP 9 HA ASP 9 22.257 26.510 15.093
65 HB2 ASP 9 HB2 ASP 9 21.691 24.760 13.352
66 HB3 ASP 9 HB1 ASP 9 20.345 24.198 14.399
67 H HIS 10 HN HIS 10 20.260 27.608 15.751
68 HA HIS 10 HA HIS 10 19.866 27.108 18.557
69 HB2 HIS 10 HB2 HIS 10 18.501 29.346 16.985
70 HB3 HIS 10 HB1 HIS 10 18.800 29.179 18.749
71 HD1 HIS 10 HD1 HIS 10 19.810 31.662 17.506
72 HD2 HIS 10 HD2 HIS 10 22.175 28.228 17.975
73 HE1 HIS 10 HE1 HIS 10 22.284 32.385 17.735
74 H SER 11 HN SER 11 18.308 26.112 15.721
75 HA SER 11 HA SER 11 15.728 25.731 16.915
76 HB2 SER 11 HB2 SER 11 15.208 24.489 14.816
77 HB3 SER 11 HB1 SER 11 15.821 26.146 14.544
78 HG SER 11 HG SER 11 17.762 25.350 13.948
79 H ARG 12 HN ARG 12 16.910 24.574 18.838
80 HA ARG 12 HA ARG 12 17.507 21.788 18.175
81 HB2 ARG 12 HB2 ARG 12 18.957 22.784 19.888
82 HB3 ARG 12 HB1 ARG 12 17.478 23.032 20.889
83 HG2 ARG 12 HG2 ARG 12 17.204 20.498 20.929
84 HG3 ARG 12 HG1 ARG 12 18.690 20.366 19.917
85 HD2 ARG 12 HD2 ARG 12 20.084 21.261 21.749
86 HD3 ARG 12 HD1 ARG 12 18.612 21.744 22.659
87 HE ARG 12 HE ARG 12 18.095 19.443 23.135
88 HH11 ARG 12 HH11 ARG 12 21.051 19.418 21.057
89 HH12 ARG 12 HH12 ARG 12 21.255 17.720 21.325
90 HH21 ARG 12 HH21 ARG 12 18.461 17.405 23.473
91 HH22 ARG 12 HH22 ARG 12 19.865 16.568 22.844
92 H CYS 13 HN CYS 13 15.344 21.118 17.449
93 HA CYS 13 HA CYS 13 13.223 21.210 19.426
94 HB2 CYS 13 HB2 CYS 13 12.847 19.843 16.770
95 HB3 CYS 13 HB1 CYS 13 11.715 20.782 17.761
96 H CYS 14 HN CYS 14 15.486 19.419 20.065
97 HA CYS 14 HA CYS 14 15.049 16.937 18.873
98 HB2 CYS 14 HB2 CYS 14 16.622 17.513 21.417
99 HB3 CYS 14 HB1 CYS 14 16.689 16.044 20.366
Start of MODEL 18
1 H1 CYS 1 HT1 CYS 1 16.070 15.403 11.492
2 H2 CYS 1 HT2 CYS 1 14.481 15.357 11.990
3 H3 CYS 1 HT3 CYS 1 15.711 15.434 13.127
4 HA CYS 1 HA CYS 1 15.311 17.576 11.180
5 HB2 CYS 1 HB2 CYS 1 13.324 17.151 12.840
6 HB3 CYS 1 HB1 CYS 1 14.373 17.767 14.100
7 H ASN 2 HN ASN 2 15.808 19.335 13.544
8 HA ASN 2 HA ASN 2 18.762 19.184 13.287
9 HB2 ASN 2 HB2 ASN 2 17.662 21.497 14.840
10 HB3 ASN 2 HB1 ASN 2 19.065 21.332 13.786
11 HD21 ASN 2 HD21 ASN 2 17.555 23.672 13.423
12 HD22 ASN 2 HD22 ASN 2 16.443 23.465 12.146
13 H CYS 3 HN CYS 3 16.745 17.748 15.361
14 HA CYS 3 HA CYS 3 18.585 17.923 17.600
15 HB2 CYS 3 HB2 CYS 3 16.118 17.682 17.938
16 HB3 CYS 3 HB1 CYS 3 16.189 16.095 17.125
17 H SER 4 HN SER 4 19.388 17.099 14.849
18 HA SER 4 HA SER 4 20.205 14.338 15.094
19 HB2 SER 4 HB2 SER 4 19.357 15.273 12.963
20 HB3 SER 4 HB1 SER 4 20.731 16.406 12.895
21 HG SER 4 HG SER 4 21.103 14.639 11.675
22 H ARG 5 HN ARG 5 22.732 14.259 14.149
23 HA ARG 5 HA ARG 5 24.270 15.313 16.253
24 HB2 ARG 5 HB2 ARG 5 24.821 13.179 15.175
25 HB3 ARG 5 HB1 ARG 5 25.090 13.977 13.606
26 HG2 ARG 5 HG2 ARG 5 26.980 15.286 14.616
27 HG3 ARG 5 HG1 ARG 5 26.718 14.444 16.187
28 HD2 ARG 5 HD2 ARG 5 27.373 12.272 15.159
29 HD3 ARG 5 HD1 ARG 5 27.533 13.096 13.538
30 HE ARG 5 HE ARG 5 29.079 14.635 15.358
31 HH11 ARG 5 HH21 ARG 5 29.215 11.536 13.650
32 HH12 ARG 5 HH22 ARG 5 30.929 11.433 13.714
33 HH21 ARG 5 HH11 ARG 5 31.343 14.399 15.636
34 HH22 ARG 5 HH12 ARG 5 32.137 13.034 14.947
35 H TRP 6 HN TRP 6 23.776 16.383 12.902
36 HA TRP 6 HA TRP 6 25.477 18.637 13.176
37 HB2 TRP 6 HB2 TRP 6 23.690 17.532 11.002
38 HB3 TRP 6 HB1 TRP 6 23.904 19.291 11.050
39 HD1 TRP 6 HD1 TRP 6 25.896 16.514 9.582
40 HE1 TRP 6 HE1 TRP 6 28.114 17.598 8.812
41 HE3 TRP 6 HE3 TRP 6 25.537 20.855 12.119
42 HZ2 TRP 6 HZ2 TRP 6 29.351 20.137 9.012
43 HZ3 TRP 6 HZ3 TRP 6 27.198 22.641 11.689
44 HH2 TRP 6 HH2 TRP 6 29.042 22.284 10.143
45 H ALA 7 HN ALA 7 24.088 18.827 15.478
46 HA ALA 7 HA ALA 7 22.077 20.866 15.015
47 HB1 ALA 7 HB1 ALA 7 21.688 19.162 16.710
48 HB2 ALA 7 HB2 ALA 7 21.768 20.819 17.406
49 HB3 ALA 7 HB3 ALA 7 23.172 19.689 17.610
50 H ARG 8 HN ARG 8 23.312 22.591 14.030
51 HA ARG 8 HA ARG 8 25.715 23.574 15.261
52 HB2 ARG 8 HB2 ARG 8 25.841 23.743 12.995
53 HB3 ARG 8 HB1 ARG 8 24.089 23.852 12.753
54 HG2 ARG 8 HG2 ARG 8 23.998 26.174 13.398
55 HG3 ARG 8 HG1 ARG 8 25.791 26.206 13.701
56 HD2 ARG 8 HD2 ARG 8 26.080 25.304 11.379
57 HD3 ARG 8 HD1 ARG 8 24.304 25.555 11.044
58 HE ARG 8 HE ARG 8 25.271 28.047 12.088
59 HH11 ARG 8 HH21 ARG 8 25.508 26.140 9.075
60 HH12 ARG 8 HH22 ARG 8 25.652 27.584 8.124
61 HH21 ARG 8 HH11 ARG 8 25.139 29.785 10.805
62 HH22 ARG 8 HH12 ARG 8 24.990 29.633 9.064
63 H ASP 9 HN ASP 9 22.361 24.556 14.761
64 HA ASP 9 HA ASP 9 22.830 26.944 16.342
65 HB2 ASP 9 HB2 ASP 9 21.659 26.969 14.086
66 HB3 ASP 9 HB1 ASP 9 20.305 26.061 14.840
67 H HIS 10 HN HIS 10 21.348 27.564 18.068
68 HA HIS 10 HA HIS 10 20.817 25.473 19.858
69 HB2 HIS 10 HB2 HIS 10 19.629 28.288 20.113
70 HB3 HIS 10 HB1 HIS 10 20.020 27.099 21.399
71 HD1 HIS 10 HD1 HIS 10 22.938 26.433 20.833
72 HD2 HIS 10 HD2 HIS 10 21.281 30.289 20.742
73 HE1 HIS 10 HE1 HIS 10 24.685 28.109 21.779
74 H SER 11 HN SER 11 18.736 26.836 17.393
75 HA SER 11 HA SER 11 16.329 26.165 18.754
76 HB2 SER 11 HB2 SER 11 15.186 26.925 16.712
77 HB3 SER 11 HB1 SER 11 16.335 28.122 17.369
78 HG SER 11 HG SER 11 17.758 27.649 15.754
79 H ARG 12 HN ARG 12 17.143 23.866 19.022
80 HA ARG 12 HA ARG 12 16.948 22.293 16.633
81 HB2 ARG 12 HB2 ARG 12 17.130 20.994 19.374
82 HB3 ARG 12 HB1 ARG 12 17.668 20.357 17.824
83 HG2 ARG 12 HG2 ARG 12 19.665 21.866 17.822
84 HG3 ARG 12 HG1 ARG 12 18.957 22.786 19.188
85 HD2 ARG 12 HD2 ARG 12 18.950 20.677 20.535
86 HD3 ARG 12 HD1 ARG 12 19.953 19.869 19.256
87 HE ARG 12 HE ARG 12 21.520 22.032 19.694
88 HH11 ARG 12 HH21 ARG 12 19.956 19.863 22.050
89 HH12 ARG 12 HH22 ARG 12 20.994 20.412 23.353
90 HH21 ARG 12 HH11 ARG 12 22.746 22.793 21.507
91 HH22 ARG 12 HH12 ARG 12 22.592 21.876 23.007
92 H CYS 13 HN CYS 13 15.426 20.393 16.278
93 HA CYS 13 HA CYS 13 12.864 21.383 16.888
94 HB2 CYS 13 HB2 CYS 13 13.489 18.810 15.392
95 HB3 CYS 13 HB1 CYS 13 12.106 19.918 15.194
96 H CYS 14 HN CYS 14 14.714 19.312 18.693
97 HA CYS 14 HA CYS 14 12.893 17.174 19.138
98 HB2 CYS 14 HB2 CYS 14 15.431 18.122 20.513
99 HB3 CYS 14 HB1 CYS 14 14.285 17.231 21.488
Start of MODEL 19
1 H1 CYS 1 HT1 CYS 1 12.530 17.933 11.983
2 H2 CYS 1 HT2 CYS 1 11.647 18.687 13.218
3 H3 CYS 1 HT3 CYS 1 12.683 17.403 13.560
4 HA CYS 1 HA CYS 1 13.474 20.095 12.626
5 HB2 CYS 1 HB2 CYS 1 12.681 19.773 15.053
6 HB3 CYS 1 HB1 CYS 1 14.014 18.657 15.294
7 H ASN 2 HN ASN 2 15.766 20.412 12.370
8 HA ASN 2 HA ASN 2 17.095 17.899 11.490
9 HB2 ASN 2 HB2 ASN 2 18.633 20.517 11.257
10 HB3 ASN 2 HB1 ASN 2 18.827 18.957 10.510
11 HD21 ASN 2 HD21 ASN 2 16.374 21.704 10.562
12 HD22 ASN 2 HD22 ASN 2 16.325 21.627 8.828
13 H CYS 3 HN CYS 3 16.708 17.353 13.880
14 HA CYS 3 HA CYS 3 18.873 18.216 15.595
15 HB2 CYS 3 HB2 CYS 3 16.590 17.912 16.508
16 HB3 CYS 3 HB1 CYS 3 16.662 16.188 16.128
17 H SER 4 HN SER 4 20.105 17.387 13.559
18 HA SER 4 HA SER 4 20.887 14.667 13.568
19 HB2 SER 4 HB2 SER 4 22.321 17.095 12.340
20 HB3 SER 4 HB1 SER 4 22.426 15.390 11.792
21 HG SER 4 HG SER 4 20.979 16.745 10.578
22 H ARG 5 HN ARG 5 23.552 14.330 13.783
23 HA ARG 5 HA ARG 5 23.797 14.710 16.493
24 HB2 ARG 5 HB2 ARG 5 24.619 12.767 15.358
25 HB3 ARG 5 HB1 ARG 5 25.841 13.712 14.457
26 HG2 ARG 5 HG2 ARG 5 26.921 14.308 16.671
27 HG3 ARG 5 HG1 ARG 5 25.723 13.269 17.512
28 HD2 ARG 5 HD2 ARG 5 26.593 11.248 16.280
29 HD3 ARG 5 HD1 ARG 5 27.758 12.338 15.400
30 HE ARG 5 HE ARG 5 27.783 12.500 18.390
31 HH11 ARG 5 HH11 ARG 5 29.146 10.716 15.618
32 HH12 ARG 5 HH12 ARG 5 30.748 10.665 16.284
33 HH21 ARG 5 HH21 ARG 5 29.971 12.334 19.282
34 HH22 ARG 5 HH22 ARG 5 31.044 11.203 18.507
35 H TRP 6 HN TRP 6 25.558 16.453 13.886
36 HA TRP 6 HA TRP 6 26.536 18.344 15.816
37 HB2 TRP 6 HB2 TRP 6 27.073 17.837 12.963
38 HB3 TRP 6 HB1 TRP 6 26.786 19.563 13.325
39 HD1 TRP 6 HD1 TRP 6 29.740 17.322 13.503
40 HE1 TRP 6 HE1 TRP 6 31.544 18.616 14.835
41 HE3 TRP 6 HE3 TRP 6 26.803 20.856 15.550
42 HZ2 TRP 6 HZ2 TRP 6 31.721 21.123 16.169
43 HZ3 TRP 6 HZ3 TRP 6 27.808 22.657 16.876
44 HH2 TRP 6 HH2 TRP 6 30.238 22.784 17.185
45 H ALA 7 HN ALA 7 24.059 18.402 16.656
46 HA ALA 7 HA ALA 7 22.468 20.259 15.239
47 HB1 ALA 7 HB1 ALA 7 21.453 18.639 16.685
48 HB2 ALA 7 HB2 ALA 7 21.098 20.308 17.245
49 HB3 ALA 7 HB3 ALA 7 22.329 19.301 18.120
50 H ARG 8 HN ARG 8 23.946 21.965 14.778
51 HA ARG 8 HA ARG 8 25.262 23.312 16.953
52 HB2 ARG 8 HB2 ARG 8 26.608 24.273 15.399
53 HB3 ARG 8 HB1 ARG 8 26.106 22.714 14.663
54 HG2 ARG 8 HG2 ARG 8 24.533 23.862 13.173
55 HG3 ARG 8 HG1 ARG 8 24.976 25.467 13.844
56 HD2 ARG 8 HD2 ARG 8 27.087 23.481 12.992
57 HD3 ARG 8 HD1 ARG 8 26.307 24.492 11.682
58 HE ARG 8 HE ARG 8 27.059 26.526 12.973
59 HH11 ARG 8 HH11 ARG 8 28.872 23.532 13.641
60 HH12 ARG 8 HH12 ARG 8 30.100 24.362 14.564
61 HH21 ARG 8 HH21 ARG 8 29.028 27.479 13.434
62 HH22 ARG 8 HH22 ARG 8 30.292 26.624 14.208
63 H ASP 9 HN ASP 9 22.464 23.710 15.016
64 HA ASP 9 HA ASP 9 22.255 26.535 15.197
65 HB2 ASP 9 HB2 ASP 9 20.113 24.496 14.368
66 HB3 ASP 9 HB1 ASP 9 20.138 26.256 13.963
67 H HIS 10 HN HIS 10 20.334 27.686 16.026
68 HA HIS 10 HA HIS 10 19.914 27.064 18.752
69 HB2 HIS 10 HB2 HIS 10 18.293 29.116 17.142
70 HB3 HIS 10 HB1 HIS 10 18.464 28.962 18.911
71 HD1 HIS 10 HD1 HIS 10 19.242 31.586 17.748
72 HD2 HIS 10 HD2 HIS 10 21.952 28.478 18.520
73 HE1 HIS 10 HE1 HIS 10 21.503 32.621 18.515
74 H SER 11 HN SER 11 18.091 26.381 15.868
75 HA SER 11 HA SER 11 15.694 25.555 16.988
76 HB2 SER 11 HB2 SER 11 17.142 24.533 14.480
77 HB3 SER 11 HB1 SER 11 15.399 24.313 14.868
78 HG SER 11 HG SER 11 16.813 26.647 14.185
79 H ARG 12 HN ARG 12 16.732 24.458 18.930
80 HA ARG 12 HA ARG 12 17.636 21.725 18.332
81 HB2 ARG 12 HB2 ARG 12 19.009 23.074 19.891
82 HB3 ARG 12 HB1 ARG 12 17.609 23.036 21.017
83 HG2 ARG 12 HG2 ARG 12 17.933 20.505 21.132
84 HG3 ARG 12 HG1 ARG 12 19.097 20.632 19.770
85 HD2 ARG 12 HD2 ARG 12 20.560 22.106 21.278
86 HD3 ARG 12 HD1 ARG 12 19.477 21.640 22.657
87 HE ARG 12 HE ARG 12 20.065 19.166 21.686
88 HH11 ARG 12 HH21 ARG 12 22.218 21.826 22.757
89 HH12 ARG 12 HH22 ARG 12 23.570 20.756 22.803
90 HH21 ARG 12 HH11 ARG 12 22.037 17.873 21.756
91 HH22 ARG 12 HH12 ARG 12 23.477 18.693 22.297
92 H CYS 13 HN CYS 13 15.232 21.621 17.580
93 HA CYS 13 HA CYS 13 13.215 21.752 19.454
94 HB2 CYS 13 HB2 CYS 13 12.673 20.205 16.923
95 HB3 CYS 13 HB1 CYS 13 11.734 21.517 17.699
96 H CYS 14 HN CYS 14 15.278 19.490 19.868
97 HA CYS 14 HA CYS 14 14.483 17.235 18.618
98 HB2 CYS 14 HB2 CYS 14 16.118 17.346 21.179
99 HB3 CYS 14 HB1 CYS 14 16.197 16.100 19.886