Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
653520 | 6xti RC | 34479 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 2.592 1.740 0.487
2 HA2 GLY 1 1HA GLY 1 1.967 -0.457 -0.811
3 HA3 GLY 1 2HA GLY 1 2.117 0.599 -2.212
4 H GLY 2 H GLY 2 4.258 0.789 0.658
5 HA2 GLY 2 1HA GLY 2 6.447 0.025 -1.221
6 HA3 GLY 2 2HA GLY 2 6.550 1.373 -0.111
7 H GLY 3 H GLY 3 5.276 -0.510 2.054
8 HA2 GLY 3 1HA GLY 3 7.906 -1.795 2.674
9 HA3 GLY 3 2HA GLY 3 6.828 -1.085 3.875
10 H GLY 4 H GLY 4 6.411 -2.824 5.154
11 HA2 GLY 4 1HA GLY 4 5.830 -5.446 4.126
12 HA3 GLY 4 2HA GLY 4 5.559 -4.875 5.779
13 H ARG 5 H ARG 5 3.463 -4.455 6.427
14 HA ARG 5 HA ARG 5 1.411 -3.940 4.359
15 HB2 ARG 5 1HB ARG 5 1.485 -6.336 6.186
16 HB3 ARG 5 2HB ARG 5 -0.059 -5.553 5.868
17 HG2 ARG 5 1HG ARG 5 -0.160 -7.035 4.183
18 HG3 ARG 5 2HG ARG 5 0.748 -5.783 3.332
19 HD2 ARG 5 1HD ARG 5 1.842 -7.817 2.859
20 HD3 ARG 5 2HD ARG 5 2.866 -6.994 4.046
21 HE ARG 5 HE ARG 5 1.066 -8.677 5.443
22 HH11 ARG 5 1HH1 ARG 5 3.823 -9.027 3.256
23 HH12 ARG 5 2HH1 ARG 5 4.261 -10.586 3.935
24 HH21 ARG 5 1HH2 ARG 5 1.683 -10.635 6.243
25 HH22 ARG 5 2HH2 ARG 5 3.072 -11.481 5.580
26 H GLY 6 H GLY 6 -0.215 -2.607 5.055
27 HA2 GLY 6 1HA GLY 6 -1.103 -1.903 7.526
28 HA3 GLY 6 2HA GLY 6 0.491 -1.126 7.466
29 H TYR 7 H TYR 7 -0.068 1.007 7.297
30 HA TYR 7 HA TYR 7 -2.184 2.053 5.710
31 HB2 TYR 7 1HB TYR 7 0.238 3.086 7.094
32 HB3 TYR 7 2HB TYR 7 -0.326 4.063 5.739
33 HD1 TYR 7 HD1 TYR 7 -1.255 2.759 9.082
34 HD2 TYR 7 HD2 TYR 7 -2.405 5.286 5.826
35 HE1 TYR 7 HE1 TYR 7 -3.003 3.786 10.489
36 HE2 TYR 7 HE2 TYR 7 -4.164 6.290 7.230
37 HH TYR 7 HH TYR 7 -5.161 6.350 9.270
38 H GLU 8 H GLU 8 -1.921 3.506 3.862
39 HA GLU 8 HA GLU 8 -1.280 4.067 1.757
40 HB2 GLU 8 1HB GLU 8 1.121 3.718 2.416
41 HB3 GLU 8 2HB GLU 8 0.997 2.057 1.861
42 HG2 GLU 8 1HG GLU 8 0.062 4.176 -0.067
43 HG3 GLU 8 2HG GLU 8 1.790 4.151 0.280
44 H TYR 9 H TYR 9 -3.200 3.413 1.123
45 HA TYR 9 HA TYR 9 -4.750 2.197 -0.047
46 HB2 TYR 9 1HB TYR 9 -2.326 1.907 -1.429
47 HB3 TYR 9 2HB TYR 9 -2.966 0.277 -1.358
48 HD1 TYR 9 HD1 TYR 9 -5.364 -0.113 -2.237
49 HD2 TYR 9 HD2 TYR 9 -3.226 3.532 -2.900
50 HE1 TYR 9 HE1 TYR 9 -6.913 0.464 -4.062
51 HE2 TYR 9 HE2 TYR 9 -4.774 4.099 -4.736
52 HH TYR 9 HH TYR 9 -7.457 1.952 -5.688
53 H ASN 10 H ASN 10 -4.318 -0.785 -0.647
54 HA ASN 10 HA ASN 10 -4.504 -1.759 2.176
55 HB2 ASN 10 1HB ASN 10 -6.209 -3.304 1.478
56 HB3 ASN 10 2HB ASN 10 -6.690 -1.696 0.915
57 HD21 ASN 10 1HD2 ASN 10 -6.308 -4.741 -1.680
58 HD22 ASN 10 2HD2 ASN 10 -6.075 -4.939 0.048
59 H LYS 11 H LYS 11 -2.193 -1.601 0.240
60 HA LYS 11 HA LYS 11 -1.815 -4.496 -0.377
61 HB2 LYS 11 1HB LYS 11 -0.620 -1.985 -1.602
62 HB3 LYS 11 2HB LYS 11 -0.097 -3.618 -2.013
63 HG2 LYS 11 1HG LYS 11 -2.923 -2.578 -2.402
64 HG3 LYS 11 2HG LYS 11 -1.664 -2.589 -3.647
65 HD2 LYS 11 1HD LYS 11 -1.472 -5.059 -3.396
66 HD3 LYS 11 2HD LYS 11 -2.825 -5.022 -2.247
67 HE2 LYS 11 1HE LYS 11 -4.271 -4.035 -3.990
68 HE3 LYS 11 2HE LYS 11 -2.923 -4.092 -5.138
69 HZ1 LYS 11 1HZ LYS 11 -2.855 -6.509 -4.868
70 HZ2 LYS 11 2HZ LYS 11 -4.068 -6.477 -3.762
71 HZ3 LYS 11 3HZ LYS 11 -4.369 -6.072 -5.325
72 H GLN 12 H GLN 12 0.375 -1.737 0.290
73 HA GLN 12 HA GLN 12 1.869 -3.463 2.180
74 HB2 GLN 12 1HB GLN 12 2.902 -2.289 -0.405
75 HB3 GLN 12 2HB GLN 12 3.983 -2.497 0.973
76 HG2 GLN 12 1HG GLN 12 4.307 -4.600 0.396
77 HG3 GLN 12 2HG GLN 12 2.600 -4.950 0.683
78 HE21 GLN 12 1HE2 GLN 12 4.063 -4.551 -3.130
79 HE22 GLN 12 2HE2 GLN 12 5.024 -4.085 -1.739
80 H CYS 13 H CYS 13 3.461 -2.233 3.434
81 HA CYS 13 HA CYS 13 2.063 -0.150 4.702
82 HB2 CYS 13 1HB CYS 13 4.529 -1.593 5.026
83 HB3 CYS 13 2HB CYS 13 4.824 0.120 5.342
84 H LEU 14 H LEU 14 2.726 2.000 5.247
85 HA LEU 14 HA LEU 14 3.485 3.562 2.893
86 HB2 LEU 14 1HB LEU 14 1.603 4.119 4.436
87 HB3 LEU 14 2HB LEU 14 2.767 4.414 5.711
88 HG LEU 14 HG LEU 14 3.599 6.385 4.584
89 HD11 LEU 14 1HD1 LEU 14 3.332 5.704 2.218
90 HD12 LEU 14 2HD1 LEU 14 1.562 5.836 2.394
91 HD13 LEU 14 3HD1 LEU 14 2.587 7.277 2.556
92 HD21 LEU 14 1HD2 LEU 14 1.620 6.520 6.047
93 HD22 LEU 14 2HD2 LEU 14 1.559 7.734 4.754
94 HD23 LEU 14 3HD2 LEU 14 0.561 6.267 4.638
95 H ILE 15 H ILE 15 5.555 2.106 3.363
96 HA ILE 15 HA ILE 15 7.807 2.158 3.504
97 HB ILE 15 HB ILE 15 7.549 5.120 4.130
98 HG12 ILE 15 1HG1 ILE 15 8.211 3.782 1.489
99 HG13 ILE 15 2HG1 ILE 15 6.576 4.280 1.924
100 HG21 ILE 15 1HG2 ILE 15 9.914 5.221 3.398
101 HG22 ILE 15 2HG2 ILE 15 9.717 4.204 4.831
102 HG23 ILE 15 3HG2 ILE 15 9.934 3.450 3.235
103 HD11 ILE 15 1HD1 ILE 15 7.386 6.621 2.182
104 HD12 ILE 15 2HD1 ILE 15 8.969 6.093 1.559
105 HD13 ILE 15 3HD1 ILE 15 7.523 5.968 0.535
106 H PHE 16 H PHE 16 6.609 4.252 6.170
107 HA PHE 16 HA PHE 16 8.733 3.201 7.912
108 HB2 PHE 16 1HB PHE 16 6.577 5.293 8.342
109 HB3 PHE 16 2HB PHE 16 7.798 4.851 9.540
110 HD1 PHE 16 HD1 PHE 16 10.037 5.680 9.400
111 HD2 PHE 16 HD2 PHE 16 7.282 6.389 6.215
112 HE1 PHE 16 HE1 PHE 16 11.634 7.253 8.375
113 HE2 PHE 16 HE2 PHE 16 8.897 7.913 5.149
114 HZ PHE 16 HZ PHE 16 11.076 8.365 6.235
115 H CYS 17 H CYS 17 7.629 1.007 7.539
116 HA CYS 17 HA CYS 17 5.047 0.528 8.690
117 HB2 CYS 17 1HB CYS 17 6.568 -0.893 6.984
118 HB3 CYS 17 2HB CYS 17 7.025 -1.728 8.483
119 HC CYS 17 HC CYS 17 5.742 0.520 11.036
Start of MODEL 2
1 H1 GLY 1 H GLY 1 2.964 0.344 -1.637
2 HA2 GLY 1 1HA GLY 1 4.163 2.038 0.301
3 HA3 GLY 1 2HA GLY 1 3.613 0.548 1.091
4 H GLY 2 H GLY 2 6.151 0.706 1.340
5 HA2 GLY 2 1HA GLY 2 7.664 -0.016 -1.015
6 HA3 GLY 2 2HA GLY 2 8.260 0.101 0.636
7 H GLY 3 H GLY 3 5.859 -1.980 1.163
8 HA2 GLY 3 1HA GLY 3 6.054 -4.349 0.015
9 HA3 GLY 3 2HA GLY 3 7.668 -4.288 0.716
10 H GLY 4 H GLY 4 6.697 -2.847 3.143
11 HA2 GLY 4 1HA GLY 4 5.882 -5.202 4.661
12 HA3 GLY 4 2HA GLY 4 6.145 -3.561 5.290
13 H ARG 5 H ARG 5 4.114 -4.113 6.541
14 HA ARG 5 HA ARG 5 1.696 -3.607 4.861
15 HB2 ARG 5 1HB ARG 5 0.408 -4.920 6.396
16 HB3 ARG 5 2HB ARG 5 1.787 -5.875 5.845
17 HG2 ARG 5 1HG ARG 5 2.968 -5.317 7.979
18 HG3 ARG 5 2HG ARG 5 1.495 -4.496 8.534
19 HD2 ARG 5 1HD ARG 5 0.241 -6.627 8.220
20 HD3 ARG 5 2HD ARG 5 1.753 -7.427 7.770
21 HE ARG 5 HE ARG 5 0.880 -6.624 10.446
22 HH11 ARG 5 1HH1 ARG 5 3.659 -7.660 8.506
23 HH12 ARG 5 2HH1 ARG 5 4.566 -8.131 9.934
24 HH21 ARG 5 1HH2 ARG 5 2.071 -7.287 12.172
25 HH22 ARG 5 2HH2 ARG 5 3.686 -7.941 11.954
26 H GLY 6 H GLY 6 -0.019 -2.388 5.788
27 HA2 GLY 6 1HA GLY 6 -0.631 -1.180 7.964
28 HA3 GLY 6 2HA GLY 6 0.961 -0.436 7.822
29 H TYR 7 H TYR 7 -2.151 -0.815 6.163
30 HA TYR 7 HA TYR 7 -3.454 0.633 5.050
31 HB2 TYR 7 1HB TYR 7 -2.351 2.203 6.888
32 HB3 TYR 7 2HB TYR 7 -1.737 3.034 5.472
33 HD1 TYR 7 HD1 TYR 7 -4.566 2.475 7.617
34 HD2 TYR 7 HD2 TYR 7 -3.510 3.735 3.666
35 HE1 TYR 7 HE1 TYR 7 -6.752 3.586 7.384
36 HE2 TYR 7 HE2 TYR 7 -5.684 4.872 3.453
37 HH TYR 7 HH TYR 7 -8.111 4.839 6.067
38 H GLU 8 H GLU 8 -1.151 2.922 3.931
39 HA GLU 8 HA GLU 8 -0.617 3.488 1.796
40 HB2 GLU 8 1HB GLU 8 0.837 1.296 2.384
41 HB3 GLU 8 2HB GLU 8 -0.061 0.633 1.026
42 HG2 GLU 8 1HG GLU 8 0.804 3.224 0.181
43 HG3 GLU 8 2HG GLU 8 2.166 2.566 1.073
44 H TYR 9 H TYR 9 -0.848 1.786 -0.611
45 HA TYR 9 HA TYR 9 -3.398 2.791 -1.418
46 HB2 TYR 9 1HB TYR 9 -1.340 2.365 -2.841
47 HB3 TYR 9 2HB TYR 9 -1.727 0.647 -2.773
48 HD1 TYR 9 HD1 TYR 9 -2.857 3.941 -4.055
49 HD2 TYR 9 HD2 TYR 9 -3.540 -0.283 -4.092
50 HE1 TYR 9 HE1 TYR 9 -4.365 4.197 -5.991
51 HE2 TYR 9 HE2 TYR 9 -5.047 -0.020 -6.025
52 HH TYR 9 HH TYR 9 -5.730 3.162 -7.482
53 H ASN 10 H ASN 10 -2.336 -0.483 -0.504
54 HA ASN 10 HA ASN 10 -5.195 -1.311 -0.703
55 HB2 ASN 10 1HB ASN 10 -3.462 -2.153 -2.490
56 HB3 ASN 10 2HB ASN 10 -2.948 -3.265 -1.218
57 HD21 ASN 10 1HD2 ASN 10 -6.597 -4.458 -1.227
58 HD22 ASN 10 2HD2 ASN 10 -5.731 -3.441 -0.089
59 H LYS 11 H LYS 11 -2.115 -2.621 0.639
60 HA LYS 11 HA LYS 11 -3.159 -2.286 3.332
61 HB2 LYS 11 1HB LYS 11 -2.854 -4.677 3.978
62 HB3 LYS 11 2HB LYS 11 -4.247 -4.329 2.967
63 HG2 LYS 11 1HG LYS 11 -2.070 -5.034 1.234
64 HG3 LYS 11 2HG LYS 11 -2.171 -6.236 2.535
65 HD2 LYS 11 1HD LYS 11 -4.568 -6.525 2.103
66 HD3 LYS 11 2HD LYS 11 -4.509 -5.301 0.829
67 HE2 LYS 11 1HE LYS 11 -2.769 -7.773 0.740
68 HE3 LYS 11 2HE LYS 11 -4.430 -7.785 0.129
69 HZ1 LYS 11 1HZ LYS 11 -2.421 -5.782 -0.767
70 HZ2 LYS 11 2HZ LYS 11 -2.700 -7.186 -1.580
71 HZ3 LYS 11 3HZ LYS 11 -3.890 -6.074 -1.432
72 H GLN 12 H GLN 12 -0.743 -1.923 1.351
73 HA GLN 12 HA GLN 12 1.471 -3.189 2.752
74 HB2 GLN 12 1HB GLN 12 1.165 -1.270 0.447
75 HB3 GLN 12 2HB GLN 12 2.756 -1.556 1.163
76 HG2 GLN 12 1HG GLN 12 2.467 -2.973 -0.752
77 HG3 GLN 12 2HG GLN 12 2.565 -3.951 0.716
78 HE21 GLN 12 1HE2 GLN 12 -0.265 -5.731 -0.229
79 HE22 GLN 12 2HE2 GLN 12 1.383 -5.720 0.369
80 H CYS 13 H CYS 13 3.441 -1.527 3.199
81 HA CYS 13 HA CYS 13 2.499 0.013 5.469
82 HB2 CYS 13 1HB CYS 13 4.922 0.525 5.760
83 HB3 CYS 13 2HB CYS 13 4.548 -1.196 5.669
84 H LEU 14 H LEU 14 1.739 2.011 5.447
85 HA LEU 14 HA LEU 14 2.362 3.868 3.302
86 HB2 LEU 14 1HB LEU 14 0.221 3.795 4.582
87 HB3 LEU 14 2HB LEU 14 1.085 4.327 6.016
88 HG LEU 14 HG LEU 14 1.588 6.481 4.933
89 HD11 LEU 14 1HD1 LEU 14 0.406 7.116 2.861
90 HD12 LEU 14 2HD1 LEU 14 1.577 5.818 2.564
91 HD13 LEU 14 3HD1 LEU 14 -0.164 5.444 2.667
92 HD21 LEU 14 1HD2 LEU 14 -0.420 6.145 6.328
93 HD22 LEU 14 2HD2 LEU 14 -0.718 7.328 5.038
94 HD23 LEU 14 3HD2 LEU 14 -1.346 5.672 4.883
95 H ILE 15 H ILE 15 3.463 3.408 6.650
96 HA ILE 15 HA ILE 15 5.404 5.644 6.222
97 HB ILE 15 HB ILE 15 4.055 4.836 8.829
98 HG12 ILE 15 1HG1 ILE 15 3.767 7.443 7.307
99 HG13 ILE 15 2HG1 ILE 15 2.649 6.095 7.101
100 HG21 ILE 15 1HG2 ILE 15 6.362 5.622 9.175
101 HG22 ILE 15 2HG2 ILE 15 6.024 7.079 8.214
102 HG23 ILE 15 3HG2 ILE 15 5.204 6.819 9.770
103 HD11 ILE 15 1HD1 ILE 15 1.673 7.641 8.628
104 HD12 ILE 15 2HD1 ILE 15 2.130 6.181 9.532
105 HD13 ILE 15 3HD1 ILE 15 3.127 7.651 9.648
106 H PHE 16 H PHE 16 4.877 2.602 8.108
107 HA PHE 16 HA PHE 16 7.740 2.673 8.780
108 HB2 PHE 16 1HB PHE 16 5.442 0.983 9.772
109 HB3 PHE 16 2HB PHE 16 7.124 0.695 10.227
110 HD1 PHE 16 HD1 PHE 16 8.288 2.120 11.759
111 HD2 PHE 16 HD2 PHE 16 4.325 3.086 10.491
112 HE1 PHE 16 HE1 PHE 16 8.168 3.875 13.486
113 HE2 PHE 16 HE2 PHE 16 4.211 4.869 12.188
114 HZ PHE 16 HZ PHE 16 6.133 5.267 13.698
115 H CYS 17 H CYS 17 8.101 2.326 6.362
116 HA CYS 17 HA CYS 17 7.986 -0.525 5.599
117 HB2 CYS 17 1HB CYS 17 9.075 1.898 4.086
118 HB3 CYS 17 2HB CYS 17 8.931 0.256 3.432
119 HC CYS 17 HC CYS 17 10.247 -0.441 6.892
Start of MODEL 3
1 H1 GLY 1 H GLY 1 3.108 2.640 0.961
2 HA2 GLY 1 1HA GLY 1 4.767 2.629 -1.454
3 HA3 GLY 1 2HA GLY 1 5.268 2.215 0.196
4 H GLY 2 H GLY 2 6.427 0.504 -1.185
5 HA2 GLY 2 1HA GLY 2 4.586 -1.805 -1.628
6 HA3 GLY 2 2HA GLY 2 6.097 -1.539 -2.490
7 H GLY 3 H GLY 3 6.448 -0.793 0.820
8 HA2 GLY 3 1HA GLY 3 7.833 -3.416 1.164
9 HA3 GLY 3 2HA GLY 3 8.407 -1.882 1.812
10 H GLY 4 H GLY 4 6.345 -4.623 2.294
11 HA2 GLY 4 1HA GLY 4 5.852 -5.394 4.493
12 HA3 GLY 4 2HA GLY 4 5.947 -3.737 5.094
13 H ARG 5 H ARG 5 3.897 -4.315 6.192
14 HA ARG 5 HA ARG 5 1.576 -3.848 4.394
15 HB2 ARG 5 1HB ARG 5 1.809 -6.005 6.523
16 HB3 ARG 5 2HB ARG 5 0.291 -5.512 5.780
17 HG2 ARG 5 1HG ARG 5 0.607 -7.045 4.211
18 HG3 ARG 5 2HG ARG 5 1.965 -6.088 3.605
19 HD2 ARG 5 1HD ARG 5 2.784 -8.294 3.963
20 HD3 ARG 5 2HD ARG 5 3.444 -7.288 5.263
21 HE ARG 5 HE ARG 5 1.005 -8.450 6.146
22 HH11 ARG 5 1HH1 ARG 5 4.319 -9.445 5.417
23 HH12 ARG 5 2HH1 ARG 5 4.234 -10.803 6.526
24 HH21 ARG 5 1HH2 ARG 5 0.989 -10.160 7.539
25 HH22 ARG 5 2HH2 ARG 5 2.394 -11.201 7.697
26 H GLY 6 H GLY 6 0.078 -2.456 5.151
27 HA2 GLY 6 1HA GLY 6 -0.740 -2.185 7.781
28 HA3 GLY 6 2HA GLY 6 0.607 -1.066 7.624
29 H TYR 7 H TYR 7 -0.041 -0.204 4.874
30 HA TYR 7 HA TYR 7 -2.702 0.826 4.848
31 HB2 TYR 7 1HB TYR 7 -1.221 2.101 6.712
32 HB3 TYR 7 2HB TYR 7 -0.879 3.134 5.343
33 HD1 TYR 7 HD1 TYR 7 -3.402 1.958 7.716
34 HD2 TYR 7 HD2 TYR 7 -2.811 4.325 4.200
35 HE1 TYR 7 HE1 TYR 7 -5.622 2.982 8.026
36 HE2 TYR 7 HE2 TYR 7 -5.027 5.346 4.519
37 HH TYR 7 HH TYR 7 -6.927 5.411 5.764
38 H GLU 8 H GLU 8 -1.159 3.418 3.727
39 HA GLU 8 HA GLU 8 -0.748 4.278 1.697
40 HB2 GLU 8 1HB GLU 8 1.344 2.849 1.915
41 HB3 GLU 8 2HB GLU 8 0.556 1.636 0.911
42 HG2 GLU 8 1HG GLU 8 0.160 3.494 -0.833
43 HG3 GLU 8 2HG GLU 8 1.180 4.539 0.147
44 H TYR 9 H TYR 9 -1.278 0.972 0.600
45 HA TYR 9 HA TYR 9 -2.968 2.149 -1.554
46 HB2 TYR 9 1HB TYR 9 -0.811 0.824 -1.962
47 HB3 TYR 9 2HB TYR 9 -1.690 -0.604 -1.425
48 HD1 TYR 9 HD1 TYR 9 -3.443 -1.597 -2.845
49 HD2 TYR 9 HD2 TYR 9 -1.335 1.909 -4.098
50 HE1 TYR 9 HE1 TYR 9 -4.174 -1.982 -5.170
51 HE2 TYR 9 HE2 TYR 9 -2.060 1.512 -6.422
52 HH TYR 9 HH TYR 9 -4.077 -1.279 -7.334
53 H ASN 10 H ASN 10 -2.797 -0.638 0.630
54 HA ASN 10 HA ASN 10 -5.492 -0.625 1.436
55 HB2 ASN 10 1HB ASN 10 -5.733 -1.400 -1.054
56 HB3 ASN 10 2HB ASN 10 -5.010 -2.913 -0.502
57 HD21 ASN 10 1HD2 ASN 10 -7.929 -3.385 1.808
58 HD22 ASN 10 2HD2 ASN 10 -6.227 -3.072 2.088
59 H LYS 11 H LYS 11 -2.797 -2.759 0.470
60 HA LYS 11 HA LYS 11 -2.973 -4.086 3.145
61 HB2 LYS 11 1HB LYS 11 -2.244 -5.308 0.469
62 HB3 LYS 11 2HB LYS 11 -2.182 -6.135 2.032
63 HG2 LYS 11 1HG LYS 11 -4.628 -5.745 2.301
64 HG3 LYS 11 2HG LYS 11 -4.665 -5.031 0.676
65 HD2 LYS 11 1HD LYS 11 -3.733 -7.162 -0.226
66 HD3 LYS 11 2HD LYS 11 -3.880 -7.876 1.389
67 HE2 LYS 11 1HE LYS 11 -6.172 -6.732 -0.253
68 HE3 LYS 11 2HE LYS 11 -5.780 -8.449 -0.114
69 HZ1 LYS 11 1HZ LYS 11 -6.525 -6.686 2.166
70 HZ2 LYS 11 2HZ LYS 11 -7.509 -7.804 1.480
71 HZ3 LYS 11 3HZ LYS 11 -6.166 -8.283 2.291
72 H GLN 12 H GLN 12 -0.912 -2.507 0.866
73 HA GLN 12 HA GLN 12 1.608 -3.575 1.860
74 HB2 GLN 12 1HB GLN 12 0.831 -1.204 0.122
75 HB3 GLN 12 2HB GLN 12 2.502 -1.605 0.530
76 HG2 GLN 12 1HG GLN 12 2.060 -2.448 -1.633
77 HG3 GLN 12 2HG GLN 12 2.238 -3.814 -0.528
78 HE21 GLN 12 1HE2 GLN 12 -0.632 -5.187 -1.977
79 HE22 GLN 12 2HE2 GLN 12 1.082 -5.332 -1.642
80 H CYS 13 H CYS 13 3.277 -1.564 2.428
81 HA CYS 13 HA CYS 13 2.022 -0.261 4.807
82 HB2 CYS 13 1HB CYS 13 4.433 -1.720 4.484
83 HB3 CYS 13 2HB CYS 13 4.897 -0.040 4.737
84 H LEU 14 H LEU 14 2.730 1.887 5.429
85 HA LEU 14 HA LEU 14 3.028 3.552 2.999
86 HB2 LEU 14 1HB LEU 14 1.046 3.841 4.384
87 HB3 LEU 14 2HB LEU 14 2.039 4.220 5.780
88 HG LEU 14 HG LEU 14 2.731 6.319 4.788
89 HD11 LEU 14 1HD1 LEU 14 0.989 5.538 2.421
90 HD12 LEU 14 2HD1 LEU 14 1.689 7.147 2.700
91 HD13 LEU 14 3HD1 LEU 14 2.758 5.763 2.408
92 HD21 LEU 14 1HD2 LEU 14 0.550 7.431 4.852
93 HD22 LEU 14 2HD2 LEU 14 -0.271 5.873 4.610
94 HD23 LEU 14 3HD2 LEU 14 0.651 6.175 6.103
95 H ILE 15 H ILE 15 4.071 4.164 6.403
96 HA ILE 15 HA ILE 15 6.740 4.925 5.327
97 HB ILE 15 HB ILE 15 4.840 6.646 6.950
98 HG12 ILE 15 1HG1 ILE 15 4.776 6.858 4.484
99 HG13 ILE 15 2HG1 ILE 15 5.258 8.335 5.306
100 HG21 ILE 15 1HG2 ILE 15 6.837 6.784 8.213
101 HG22 ILE 15 2HG2 ILE 15 7.852 6.917 6.758
102 HG23 ILE 15 3HG2 ILE 15 6.770 8.250 7.222
103 HD11 ILE 15 1HD1 ILE 15 6.532 7.956 3.246
104 HD12 ILE 15 2HD1 ILE 15 7.593 7.976 4.669
105 HD13 ILE 15 3HD1 ILE 15 7.162 6.431 3.901
106 H PHE 16 H PHE 16 8.325 4.138 6.507
107 HA PHE 16 HA PHE 16 9.456 3.038 8.169
108 HB2 PHE 16 1HB PHE 16 7.670 4.602 10.052
109 HB3 PHE 16 2HB PHE 16 9.231 3.871 10.425
110 HD1 PHE 16 HD1 PHE 16 8.273 6.792 10.732
111 HD2 PHE 16 HD2 PHE 16 10.643 4.801 7.777
112 HE1 PHE 16 HE1 PHE 16 9.325 8.934 10.130
113 HE2 PHE 16 HE2 PHE 16 11.613 6.953 7.105
114 HZ PHE 16 HZ PHE 16 10.985 9.027 8.298
115 H CYS 17 H CYS 17 7.789 1.321 7.112
116 HA CYS 17 HA CYS 17 5.609 0.303 8.428
117 HB2 CYS 17 1HB CYS 17 6.891 -0.617 6.306
118 HB3 CYS 17 2HB CYS 17 7.686 -1.680 7.490
119 HC CYS 17 HC CYS 17 6.498 -0.240 10.652
Start of MODEL 4
1 H1 GLY 1 H GLY 1 2.413 0.530 -1.926
2 HA2 GLY 1 1HA GLY 1 3.987 1.952 -0.080
3 HA3 GLY 1 2HA GLY 1 3.325 0.537 0.762
4 H GLY 2 H GLY 2 5.846 0.188 0.752
5 HA2 GLY 2 1HA GLY 2 6.572 -1.204 -1.786
6 HA3 GLY 2 2HA GLY 2 7.655 -0.092 -0.973
7 H GLY 3 H GLY 3 5.721 -2.723 0.583
8 HA2 GLY 3 1HA GLY 3 7.364 -4.824 0.465
9 HA3 GLY 3 2HA GLY 3 8.291 -3.801 1.554
10 H GLY 4 H GLY 4 6.806 -2.884 3.446
11 HA2 GLY 4 1HA GLY 4 5.818 -5.312 4.781
12 HA3 GLY 4 2HA GLY 4 6.061 -3.714 5.512
13 H ARG 5 H ARG 5 3.890 -4.302 6.488
14 HA ARG 5 HA ARG 5 1.717 -3.442 4.632
15 HB2 ARG 5 1HB ARG 5 1.622 -5.866 5.232
16 HB3 ARG 5 2HB ARG 5 1.510 -5.417 6.934
17 HG2 ARG 5 1HG ARG 5 -0.494 -4.165 5.133
18 HG3 ARG 5 2HG ARG 5 -0.624 -5.918 5.326
19 HD2 ARG 5 1HD ARG 5 -0.285 -4.194 7.764
20 HD3 ARG 5 2HD ARG 5 -1.865 -4.255 6.974
21 HE ARG 5 HE ARG 5 -0.533 -6.390 8.473
22 HH11 ARG 5 1HH1 ARG 5 -3.176 -5.646 6.235
23 HH12 ARG 5 2HH1 ARG 5 -4.056 -7.096 6.687
24 HH21 ARG 5 1HH2 ARG 5 -1.703 -8.187 8.967
25 HH22 ARG 5 2HH2 ARG 5 -3.238 -8.508 8.179
26 H GLY 6 H GLY 6 0.379 -1.852 5.337
27 HA2 GLY 6 1HA GLY 6 -0.476 -1.159 7.807
28 HA3 GLY 6 2HA GLY 6 1.144 -0.448 7.792
29 H TYR 7 H TYR 7 -2.067 -0.393 6.424
30 HA TYR 7 HA TYR 7 -3.286 1.216 5.429
31 HB2 TYR 7 1HB TYR 7 -1.635 2.610 7.067
32 HB3 TYR 7 2HB TYR 7 -1.272 3.390 5.545
33 HD1 TYR 7 HD1 TYR 7 -3.507 3.219 8.307
34 HD2 TYR 7 HD2 TYR 7 -3.403 4.169 4.133
35 HE1 TYR 7 HE1 TYR 7 -5.545 4.580 8.561
36 HE2 TYR 7 HE2 TYR 7 -5.436 5.530 4.399
37 HH TYR 7 HH TYR 7 -7.067 5.921 7.548
38 H GLU 8 H GLU 8 -1.207 3.323 3.929
39 HA GLU 8 HA GLU 8 -0.738 3.718 1.751
40 HB2 GLU 8 1HB GLU 8 0.618 1.417 2.378
41 HB3 GLU 8 2HB GLU 8 -0.334 0.844 1.015
42 HG2 GLU 8 1HG GLU 8 0.746 3.432 0.296
43 HG3 GLU 8 2HG GLU 8 2.050 2.521 1.037
44 H TYR 9 H TYR 9 -1.171 2.263 -0.621
45 HA TYR 9 HA TYR 9 -3.861 3.084 -1.141
46 HB2 TYR 9 1HB TYR 9 -1.972 2.869 -2.804
47 HB3 TYR 9 2HB TYR 9 -2.124 1.118 -2.689
48 HD1 TYR 9 HD1 TYR 9 -3.891 -0.070 -3.822
49 HD2 TYR 9 HD2 TYR 9 -3.818 4.207 -3.863
50 HE1 TYR 9 HE1 TYR 9 -5.521 -0.058 -5.671
51 HE2 TYR 9 HE2 TYR 9 -5.451 4.213 -5.714
52 HH TYR 9 HH TYR 9 -6.713 1.196 -7.139
53 H ASN 10 H ASN 10 -2.393 -0.136 -0.687
54 HA ASN 10 HA ASN 10 -4.644 -1.009 0.859
55 HB2 ASN 10 1HB ASN 10 -5.069 -1.290 -1.866
56 HB3 ASN 10 2HB ASN 10 -4.396 -2.867 -1.428
57 HD21 ASN 10 1HD2 ASN 10 -8.239 -2.142 -0.773
58 HD22 ASN 10 2HD2 ASN 10 -7.197 -1.194 -1.817
59 H LYS 11 H LYS 11 -3.788 -2.382 2.319
60 HA LYS 11 HA LYS 11 -2.668 -4.134 3.233
61 HB2 LYS 11 1HB LYS 11 -2.291 -4.986 0.359
62 HB3 LYS 11 2HB LYS 11 -2.027 -6.001 1.777
63 HG2 LYS 11 1HG LYS 11 -4.407 -5.758 2.400
64 HG3 LYS 11 2HG LYS 11 -4.664 -4.757 0.955
65 HD2 LYS 11 1HD LYS 11 -3.918 -6.640 -0.465
66 HD3 LYS 11 2HD LYS 11 -3.732 -7.644 0.985
67 HE2 LYS 11 1HE LYS 11 -5.853 -8.181 -0.009
68 HE3 LYS 11 2HE LYS 11 -6.159 -7.286 1.486
69 HZ1 LYS 11 1HZ LYS 11 -6.442 -5.263 0.126
70 HZ2 LYS 11 2HZ LYS 11 -6.189 -6.114 -1.252
71 HZ3 LYS 11 3HZ LYS 11 -7.518 -6.413 -0.335
72 H GLN 12 H GLN 12 -0.906 -1.796 1.829
73 HA GLN 12 HA GLN 12 1.656 -3.213 2.434
74 HB2 GLN 12 1HB GLN 12 0.944 -1.352 0.179
75 HB3 GLN 12 2HB GLN 12 2.598 -1.434 0.791
76 HG2 GLN 12 1HG GLN 12 2.704 -2.927 -0.916
77 HG3 GLN 12 2HG GLN 12 2.404 -3.988 0.463
78 HE21 GLN 12 1HE2 GLN 12 -0.475 -3.469 -2.438
79 HE22 GLN 12 2HE2 GLN 12 0.868 -2.349 -2.308
80 H CYS 13 H CYS 13 3.481 -1.489 2.776
81 HA CYS 13 HA CYS 13 2.664 -0.025 5.146
82 HB2 CYS 13 1HB CYS 13 5.098 0.395 5.334
83 HB3 CYS 13 2HB CYS 13 4.719 -1.315 5.105
84 H LEU 14 H LEU 14 2.186 2.069 5.372
85 HA LEU 14 HA LEU 14 2.861 3.923 3.169
86 HB2 LEU 14 1HB LEU 14 0.583 3.848 4.122
87 HB3 LEU 14 2HB LEU 14 1.224 4.313 5.692
88 HG LEU 14 HG LEU 14 1.907 6.500 4.765
89 HD11 LEU 14 1HD1 LEU 14 0.972 7.210 2.577
90 HD12 LEU 14 2HD1 LEU 14 2.202 5.946 2.404
91 HD13 LEU 14 3HD1 LEU 14 0.475 5.533 2.258
92 HD21 LEU 14 1HD2 LEU 14 -0.374 7.389 4.619
93 HD22 LEU 14 2HD2 LEU 14 -1.010 5.756 4.320
94 HD23 LEU 14 3HD2 LEU 14 -0.263 6.152 5.887
95 H ILE 15 H ILE 15 3.320 3.735 6.725
96 HA ILE 15 HA ILE 15 5.380 5.888 6.442
97 HB ILE 15 HB ILE 15 3.866 5.043 8.950
98 HG12 ILE 15 1HG1 ILE 15 3.532 7.632 7.409
99 HG13 ILE 15 2HG1 ILE 15 2.482 6.234 7.170
100 HG21 ILE 15 1HG2 ILE 15 6.134 5.938 9.380
101 HG22 ILE 15 2HG2 ILE 15 5.741 7.391 8.437
102 HG23 ILE 15 3HG2 ILE 15 4.888 7.051 9.959
103 HD11 ILE 15 1HD1 ILE 15 1.394 7.741 8.675
104 HD12 ILE 15 2HD1 ILE 15 1.887 6.294 9.585
105 HD13 ILE 15 3HD1 ILE 15 2.820 7.801 9.737
106 H PHE 16 H PHE 16 4.582 2.850 8.166
107 HA PHE 16 HA PHE 16 7.370 2.747 9.155
108 HB2 PHE 16 1HB PHE 16 5.033 0.950 9.875
109 HB3 PHE 16 2HB PHE 16 6.548 1.152 10.760
110 HD1 PHE 16 HD1 PHE 16 3.166 2.016 10.681
111 HD2 PHE 16 HD2 PHE 16 6.999 3.736 11.474
112 HE1 PHE 16 HE1 PHE 16 2.085 3.838 11.936
113 HE2 PHE 16 HE2 PHE 16 5.918 5.582 12.695
114 HZ PHE 16 HZ PHE 16 3.458 5.637 12.936
115 H CYS 17 H CYS 17 8.703 1.892 7.635
116 HA CYS 17 HA CYS 17 8.096 -0.796 6.603
117 HB2 CYS 17 1HB CYS 17 7.197 1.236 5.081
118 HB3 CYS 17 2HB CYS 17 8.874 1.224 4.510
119 HC CYS 17 HC CYS 17 10.515 -0.990 6.163
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.389 -0.030 -1.912
2 HA2 GLY 1 1HA GLY 1 3.757 2.220 -0.878
3 HA3 GLY 1 2HA GLY 1 3.641 1.003 0.401
4 H GLY 2 H GLY 2 4.032 -1.382 -0.828
5 HA2 GLY 2 1HA GLY 2 5.655 -2.030 -2.726
6 HA3 GLY 2 2HA GLY 2 6.809 -1.041 -1.839
7 H GLY 3 H GLY 3 7.011 -1.727 0.605
8 HA2 GLY 3 1HA GLY 3 7.718 -4.594 0.305
9 HA3 GLY 3 2HA GLY 3 8.555 -3.427 1.315
10 H GLY 4 H GLY 4 7.245 -2.595 3.253
11 HA2 GLY 4 1HA GLY 4 6.282 -5.008 4.611
12 HA3 GLY 4 2HA GLY 4 6.561 -3.427 5.347
13 H ARG 5 H ARG 5 4.516 -3.892 6.463
14 HA ARG 5 HA ARG 5 2.180 -3.186 4.749
15 HB2 ARG 5 1HB ARG 5 0.784 -4.674 6.035
16 HB3 ARG 5 2HB ARG 5 2.158 -5.564 5.375
17 HG2 ARG 5 1HG ARG 5 3.278 -5.250 7.659
18 HG3 ARG 5 2HG ARG 5 1.684 -4.729 8.242
19 HD2 ARG 5 1HD ARG 5 0.725 -6.879 7.454
20 HD3 ARG 5 2HD ARG 5 2.335 -7.377 6.900
21 HE ARG 5 HE ARG 5 2.432 -6.642 9.663
22 HH11 ARG 5 1HH1 ARG 5 1.333 -9.286 7.585
23 HH12 ARG 5 2HH1 ARG 5 1.473 -10.462 8.881
24 HH21 ARG 5 1HH2 ARG 5 2.613 -8.188 11.225
25 HH22 ARG 5 2HH2 ARG 5 2.217 -9.863 10.881
26 H GLY 6 H GLY 6 0.523 -1.963 5.690
27 HA2 GLY 6 1HA GLY 6 -0.031 -0.918 8.032
28 HA3 GLY 6 2HA GLY 6 1.562 -0.178 7.816
29 H TYR 7 H TYR 7 -1.712 -0.415 6.538
30 HA TYR 7 HA TYR 7 -3.040 1.058 5.469
31 HB2 TYR 7 1HB TYR 7 -1.603 2.606 7.093
32 HB3 TYR 7 2HB TYR 7 -1.123 3.339 5.579
33 HD1 TYR 7 HD1 TYR 7 -3.682 3.051 8.088
34 HD2 TYR 7 HD2 TYR 7 -3.059 4.137 3.996
35 HE1 TYR 7 HE1 TYR 7 -5.770 4.359 8.112
36 HE2 TYR 7 HE2 TYR 7 -5.124 5.474 4.039
37 HH TYR 7 HH TYR 7 -7.162 5.729 6.958
38 H GLU 8 H GLU 8 -0.882 3.189 3.974
39 HA GLU 8 HA GLU 8 -0.517 3.618 1.780
40 HB2 GLU 8 1HB GLU 8 0.948 1.469 2.234
41 HB3 GLU 8 2HB GLU 8 -0.212 0.671 1.184
42 HG2 GLU 8 1HG GLU 8 0.451 3.042 -0.213
43 HG3 GLU 8 2HG GLU 8 1.970 2.574 0.536
44 H TYR 9 H TYR 9 -1.190 1.688 -0.446
45 HA TYR 9 HA TYR 9 -3.812 2.898 -0.866
46 HB2 TYR 9 1HB TYR 9 -1.781 2.543 -2.496
47 HB3 TYR 9 2HB TYR 9 -2.486 0.946 -2.745
48 HD1 TYR 9 HD1 TYR 9 -2.962 4.584 -3.191
49 HD2 TYR 9 HD2 TYR 9 -4.630 0.719 -3.951
50 HE1 TYR 9 HE1 TYR 9 -4.493 5.569 -4.854
51 HE2 TYR 9 HE2 TYR 9 -6.155 1.710 -5.618
52 HH TYR 9 HH TYR 9 -6.142 5.203 -6.359
53 H ASN 10 H ASN 10 -2.512 -0.345 -0.355
54 HA ASN 10 HA ASN 10 -5.315 -1.374 -0.281
55 HB2 ASN 10 1HB ASN 10 -3.943 -2.029 -2.308
56 HB3 ASN 10 2HB ASN 10 -2.895 -2.963 -1.239
57 HD21 ASN 10 1HD2 ASN 10 -5.538 -5.367 -0.499
58 HD22 ASN 10 2HD2 ASN 10 -4.344 -4.414 0.363
59 H LYS 11 H LYS 11 -2.234 -2.989 0.529
60 HA LYS 11 HA LYS 11 -2.751 -2.705 3.412
61 HB2 LYS 11 1HB LYS 11 -2.665 -5.402 2.004
62 HB3 LYS 11 2HB LYS 11 -2.451 -5.196 3.739
63 HG2 LYS 11 1HG LYS 11 -4.967 -4.421 2.244
64 HG3 LYS 11 2HG LYS 11 -4.711 -5.966 3.067
65 HD2 LYS 11 1HD LYS 11 -4.341 -4.734 5.203
66 HD3 LYS 11 2HD LYS 11 -4.735 -3.218 4.362
67 HE2 LYS 11 1HE LYS 11 -6.957 -4.117 3.786
68 HE3 LYS 11 2HE LYS 11 -6.569 -5.628 4.627
69 HZ1 LYS 11 1HZ LYS 11 -7.777 -4.117 6.101
70 HZ2 LYS 11 2HZ LYS 11 -6.251 -4.300 6.678
71 HZ3 LYS 11 3HZ LYS 11 -6.674 -2.927 5.877
72 H GLN 12 H GLN 12 -0.806 -1.399 2.398
73 HA GLN 12 HA GLN 12 1.661 -3.067 2.667
74 HB2 GLN 12 1HB GLN 12 0.903 -1.191 0.422
75 HB3 GLN 12 2HB GLN 12 2.580 -1.648 0.753
76 HG2 GLN 12 1HG GLN 12 2.098 -3.978 0.365
77 HG3 GLN 12 2HG GLN 12 0.372 -3.631 0.187
78 HE21 GLN 12 1HE2 GLN 12 1.086 -3.757 -3.277
79 HE22 GLN 12 2HE2 GLN 12 0.491 -4.673 -1.905
80 H CYS 13 H CYS 13 3.609 -1.385 2.539
81 HA CYS 13 HA CYS 13 3.355 0.155 4.954
82 HB2 CYS 13 1HB CYS 13 5.441 -0.956 4.274
83 HB3 CYS 13 2HB CYS 13 5.525 0.069 2.827
84 H LEU 14 H LEU 14 2.469 2.146 5.196
85 HA LEU 14 HA LEU 14 2.816 4.103 3.022
86 HB2 LEU 14 1HB LEU 14 0.715 3.910 4.364
87 HB3 LEU 14 2HB LEU 14 1.603 4.461 5.775
88 HG LEU 14 HG LEU 14 2.013 6.634 4.660
89 HD11 LEU 14 1HD1 LEU 14 0.181 5.545 2.488
90 HD12 LEU 14 2HD1 LEU 14 0.716 7.231 2.653
91 HD13 LEU 14 3HD1 LEU 14 1.904 5.964 2.299
92 HD21 LEU 14 1HD2 LEU 14 -0.901 5.765 4.750
93 HD22 LEU 14 2HD2 LEU 14 0.083 6.244 6.155
94 HD23 LEU 14 3HD2 LEU 14 -0.291 7.429 4.888
95 H ILE 15 H ILE 15 3.895 3.753 6.446
96 HA ILE 15 HA ILE 15 6.191 5.486 5.717
97 HB ILE 15 HB ILE 15 4.592 5.884 8.275
98 HG12 ILE 15 1HG1 ILE 15 4.905 7.808 5.949
99 HG13 ILE 15 2HG1 ILE 15 3.502 6.759 6.166
100 HG21 ILE 15 1HG2 ILE 15 6.998 7.380 7.145
101 HG22 ILE 15 2HG2 ILE 15 6.136 7.774 8.651
102 HG23 ILE 15 3HG2 ILE 15 7.034 6.255 8.520
103 HD11 ILE 15 1HD1 ILE 15 4.377 8.988 8.009
104 HD12 ILE 15 2HD1 ILE 15 2.928 8.915 6.982
105 HD13 ILE 15 3HD1 ILE 15 3.080 7.825 8.378
106 H PHE 16 H PHE 16 4.847 3.570 8.479
107 HA PHE 16 HA PHE 16 7.656 2.919 9.190
108 HB2 PHE 16 1HB PHE 16 5.083 2.713 10.779
109 HB3 PHE 16 2HB PHE 16 6.652 2.128 11.338
110 HD1 PHE 16 HD1 PHE 16 8.409 3.649 12.022
111 HD2 PHE 16 HD2 PHE 16 4.676 5.126 10.564
112 HE1 PHE 16 HE1 PHE 16 8.982 5.900 12.850
113 HE2 PHE 16 HE2 PHE 16 5.250 7.385 11.366
114 HZ PHE 16 HZ PHE 16 7.401 7.777 12.529
115 H CYS 17 H CYS 17 7.937 1.360 7.497
116 HA CYS 17 HA CYS 17 6.009 -0.586 6.866
117 HB2 CYS 17 1HB CYS 17 9.020 -0.924 6.465
118 HB3 CYS 17 2HB CYS 17 7.714 -1.663 5.526
119 HC CYS 17 HC CYS 17 7.048 -1.581 9.311
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.862 0.910 -2.281
2 HA2 GLY 1 1HA GLY 1 3.834 2.136 -0.610
3 HA3 GLY 1 2HA GLY 1 3.068 0.779 0.236
4 H GLY 2 H GLY 2 5.231 -0.272 0.138
5 HA2 GLY 2 1HA GLY 2 5.382 -2.004 -2.153
6 HA3 GLY 2 2HA GLY 2 6.611 -0.750 -2.240
7 H GLY 3 H GLY 3 5.438 -3.522 -0.368
8 HA2 GLY 3 1HA GLY 3 7.306 -5.167 -0.082
9 HA3 GLY 3 2HA GLY 3 8.238 -3.853 0.637
10 H GLY 4 H GLY 4 7.324 -2.853 2.646
11 HA2 GLY 4 1HA GLY 4 6.547 -4.968 4.479
12 HA3 GLY 4 2HA GLY 4 6.750 -3.249 4.866
13 H ARG 5 H ARG 5 4.740 -4.048 6.183
14 HA ARG 5 HA ARG 5 2.280 -3.760 4.504
15 HB2 ARG 5 1HB ARG 5 2.962 -5.442 6.895
16 HB3 ARG 5 2HB ARG 5 1.313 -4.849 6.731
17 HG2 ARG 5 1HG ARG 5 1.333 -7.007 5.792
18 HG3 ARG 5 2HG ARG 5 1.214 -5.872 4.444
19 HD2 ARG 5 1HD ARG 5 3.558 -6.177 3.905
20 HD3 ARG 5 2HD ARG 5 3.798 -7.184 5.350
21 HE ARG 5 HE ARG 5 1.727 -8.358 3.854
22 HH11 ARG 5 1HH1 ARG 5 5.176 -7.714 3.342
23 HH12 ARG 5 2HH1 ARG 5 5.381 -9.188 2.414
24 HH21 ARG 5 1HH2 ARG 5 2.053 -10.109 2.564
25 HH22 ARG 5 2HH2 ARG 5 3.641 -10.453 1.899
26 H GLY 6 H GLY 6 0.422 -2.754 5.553
27 HA2 GLY 6 1HA GLY 6 0.358 -1.316 7.880
28 HA3 GLY 6 2HA GLY 6 1.263 -0.259 6.801
29 H TYR 7 H TYR 7 0.204 0.970 5.326
30 HA TYR 7 HA TYR 7 -2.784 0.866 5.445
31 HB2 TYR 7 1HB TYR 7 -1.649 2.493 7.033
32 HB3 TYR 7 2HB TYR 7 -1.092 3.368 5.603
33 HD1 TYR 7 HD1 TYR 7 -3.923 2.674 7.796
34 HD2 TYR 7 HD2 TYR 7 -2.800 4.351 4.032
35 HE1 TYR 7 HE1 TYR 7 -6.107 3.807 7.653
36 HE2 TYR 7 HE2 TYR 7 -4.975 5.530 3.911
37 HH TYR 7 HH TYR 7 -7.450 5.189 6.460
38 H GLU 8 H GLU 8 0.103 1.917 3.689
39 HA GLU 8 HA GLU 8 -0.879 3.552 1.717
40 HB2 GLU 8 1HB GLU 8 1.527 2.852 2.218
41 HB3 GLU 8 2HB GLU 8 1.241 1.393 1.289
42 HG2 GLU 8 1HG GLU 8 0.649 4.100 0.041
43 HG3 GLU 8 2HG GLU 8 2.319 3.566 0.161
44 H TYR 9 H TYR 9 -2.660 3.335 0.722
45 HA TYR 9 HA TYR 9 -4.206 2.694 -0.786
46 HB2 TYR 9 1HB TYR 9 -2.325 2.566 -2.333
47 HB3 TYR 9 2HB TYR 9 -2.048 0.881 -1.897
48 HD1 TYR 9 HD1 TYR 9 -4.563 3.190 -3.424
49 HD2 TYR 9 HD2 TYR 9 -3.249 -0.857 -2.987
50 HE1 TYR 9 HE1 TYR 9 -6.196 2.472 -5.128
51 HE2 TYR 9 HE2 TYR 9 -4.887 -1.570 -4.688
52 HH TYR 9 HH TYR 9 -6.533 -0.939 -6.113
53 H ASN 10 H ASN 10 -2.532 -0.417 -0.202
54 HA ASN 10 HA ASN 10 -4.985 -1.427 1.095
55 HB2 ASN 10 1HB ASN 10 -5.178 -1.869 -1.384
56 HB3 ASN 10 2HB ASN 10 -3.763 -2.926 -1.251
57 HD21 ASN 10 1HD2 ASN 10 -5.515 -5.464 0.598
58 HD22 ASN 10 2HD2 ASN 10 -3.955 -4.663 0.490
59 H LYS 11 H LYS 11 -3.581 -1.250 2.884
60 HA LYS 11 HA LYS 11 -2.412 -2.234 4.565
61 HB2 LYS 11 1HB LYS 11 -2.550 -4.744 2.871
62 HB3 LYS 11 2HB LYS 11 -2.195 -4.671 4.592
63 HG2 LYS 11 1HG LYS 11 -4.840 -3.851 3.349
64 HG3 LYS 11 2HG LYS 11 -4.482 -5.433 4.052
65 HD2 LYS 11 1HD LYS 11 -3.988 -4.324 6.233
66 HD3 LYS 11 2HD LYS 11 -4.456 -2.772 5.517
67 HE2 LYS 11 1HE LYS 11 -6.339 -3.604 6.736
68 HE3 LYS 11 2HE LYS 11 -6.706 -3.732 5.011
69 HZ1 LYS 11 1HZ LYS 11 -5.755 -5.970 6.736
70 HZ2 LYS 11 2HZ LYS 11 -7.288 -5.788 6.179
71 HZ3 LYS 11 3HZ LYS 11 -6.067 -6.096 5.128
72 H GLN 12 H GLN 12 -0.844 -1.183 2.132
73 HA GLN 12 HA GLN 12 1.631 -2.795 2.494
74 HB2 GLN 12 1HB GLN 12 0.885 -0.617 0.528
75 HB3 GLN 12 2HB GLN 12 2.486 -1.358 0.626
76 HG2 GLN 12 1HG GLN 12 1.822 -3.302 -0.325
77 HG3 GLN 12 2HG GLN 12 0.196 -3.224 0.367
78 HE21 GLN 12 1HE2 GLN 12 -1.234 -2.032 -2.571
79 HE22 GLN 12 2HE2 GLN 12 -1.409 -2.842 -1.023
80 H CYS 13 H CYS 13 3.698 -1.594 2.665
81 HA CYS 13 HA CYS 13 3.638 -0.002 5.031
82 HB2 CYS 13 1HB CYS 13 5.586 -1.341 4.361
83 HB3 CYS 13 2HB CYS 13 5.851 -0.275 2.968
84 H LEU 14 H LEU 14 3.325 2.044 5.428
85 HA LEU 14 HA LEU 14 3.604 4.046 3.222
86 HB2 LEU 14 1HB LEU 14 1.285 3.668 4.199
87 HB3 LEU 14 2HB LEU 14 1.918 4.216 5.740
88 HG LEU 14 HG LEU 14 2.361 6.447 4.768
89 HD11 LEU 14 1HD1 LEU 14 1.346 7.038 2.598
90 HD12 LEU 14 2HD1 LEU 14 2.657 5.861 2.403
91 HD13 LEU 14 3HD1 LEU 14 0.960 5.326 2.311
92 HD21 LEU 14 1HD2 LEU 14 0.003 7.107 4.647
93 HD22 LEU 14 2HD2 LEU 14 -0.475 5.414 4.388
94 HD23 LEU 14 3HD2 LEU 14 0.253 5.912 5.935
95 H ILE 15 H ILE 15 5.882 3.464 4.102
96 HA ILE 15 HA ILE 15 7.804 4.229 5.040
97 HB ILE 15 HB ILE 15 6.221 6.310 6.599
98 HG12 ILE 15 1HG1 ILE 15 7.815 6.763 4.059
99 HG13 ILE 15 2HG1 ILE 15 6.070 6.494 4.052
100 HG21 ILE 15 1HG2 ILE 15 8.412 7.393 6.873
101 HG22 ILE 15 2HG2 ILE 15 8.433 5.756 7.542
102 HG23 ILE 15 3HG2 ILE 15 9.189 6.076 5.966
103 HD11 ILE 15 1HD1 ILE 15 6.463 8.850 3.960
104 HD12 ILE 15 2HD1 ILE 15 5.791 8.461 5.560
105 HD13 ILE 15 3HD1 ILE 15 7.530 8.790 5.380
106 H PHE 16 H PHE 16 5.072 4.254 7.339
107 HA PHE 16 HA PHE 16 6.856 3.215 9.452
108 HB2 PHE 16 1HB PHE 16 3.918 3.854 9.747
109 HB3 PHE 16 2HB PHE 16 5.190 3.904 10.970
110 HD1 PHE 16 HD1 PHE 16 3.166 5.825 8.832
111 HD2 PHE 16 HD2 PHE 16 7.124 5.692 10.446
112 HE1 PHE 16 HE1 PHE 16 3.466 8.208 8.285
113 HE2 PHE 16 HE2 PHE 16 7.436 8.069 9.873
114 HZ PHE 16 HZ PHE 16 5.608 9.336 8.796
115 H CYS 17 H CYS 17 7.033 1.204 8.023
116 HA CYS 17 HA CYS 17 4.840 -0.335 7.281
117 HB2 CYS 17 1HB CYS 17 7.448 -1.645 8.119
118 HB3 CYS 17 2HB CYS 17 6.313 -2.147 6.863
119 HC CYS 17 HC CYS 17 4.304 -0.700 9.834
Start of MODEL 7
1 H1 GLY 1 H GLY 1 2.332 0.644 -2.135
2 HA2 GLY 1 1HA GLY 1 4.059 1.789 -0.174
3 HA3 GLY 1 2HA GLY 1 3.226 0.387 0.509
4 H GLY 2 H GLY 2 6.105 0.893 -0.166
5 HA2 GLY 2 1HA GLY 2 6.549 -0.831 -2.494
6 HA3 GLY 2 2HA GLY 2 7.761 0.087 -1.614
7 H GLY 3 H GLY 3 6.762 -1.236 1.009
8 HA2 GLY 3 1HA GLY 3 7.355 -4.029 0.694
9 HA3 GLY 3 2HA GLY 3 8.817 -3.137 1.110
10 H GLY 4 H GLY 4 5.813 -4.447 2.250
11 HA2 GLY 4 1HA GLY 4 6.134 -5.058 4.731
12 HA3 GLY 4 2HA GLY 4 6.306 -3.308 4.961
13 H ARG 5 H ARG 5 4.380 -3.453 6.368
14 HA ARG 5 HA ARG 5 1.918 -3.335 4.731
15 HB2 ARG 5 1HB ARG 5 0.691 -4.778 6.199
16 HB3 ARG 5 2HB ARG 5 2.137 -5.618 5.641
17 HG2 ARG 5 1HG ARG 5 3.067 -4.568 7.973
18 HG3 ARG 5 2HG ARG 5 1.355 -4.766 8.374
19 HD2 ARG 5 1HD ARG 5 3.248 -6.901 7.333
20 HD3 ARG 5 2HD ARG 5 2.663 -6.757 8.991
21 HE ARG 5 HE ARG 5 1.228 -7.812 6.663
22 HH11 ARG 5 1HH1 ARG 5 0.872 -6.694 10.006
23 HH12 ARG 5 2HH1 ARG 5 -0.638 -7.565 10.206
24 HH21 ARG 5 1HH2 ARG 5 -0.679 -8.841 6.993
25 HH22 ARG 5 2HH2 ARG 5 -1.502 -8.741 8.542
26 H GLY 6 H GLY 6 0.244 -2.097 5.474
27 HA2 GLY 6 1HA GLY 6 -0.575 -0.924 7.620
28 HA3 GLY 6 2HA GLY 6 1.026 -0.178 7.616
29 H TYR 7 H TYR 7 -2.110 -0.304 6.072
30 HA TYR 7 HA TYR 7 -3.274 1.217 4.877
31 HB2 TYR 7 1HB TYR 7 -1.613 2.755 6.452
32 HB3 TYR 7 2HB TYR 7 -1.334 3.432 4.863
33 HD1 TYR 7 HD1 TYR 7 -3.607 3.152 7.657
34 HD2 TYR 7 HD2 TYR 7 -3.396 4.246 3.526
35 HE1 TYR 7 HE1 TYR 7 -5.703 4.432 7.885
36 HE2 TYR 7 HE2 TYR 7 -5.501 5.504 3.756
37 HH TYR 7 HH TYR 7 -7.174 6.175 5.150
38 H GLU 8 H GLU 8 -1.619 3.289 3.152
39 HA GLU 8 HA GLU 8 -0.950 3.416 0.986
40 HB2 GLU 8 1HB GLU 8 1.020 2.320 2.402
41 HB3 GLU 8 2HB GLU 8 0.754 0.954 1.335
42 HG2 GLU 8 1HG GLU 8 1.024 3.757 0.173
43 HG3 GLU 8 2HG GLU 8 2.464 2.891 0.668
44 H TYR 9 H TYR 9 -2.749 3.112 -0.089
45 HA TYR 9 HA TYR 9 -3.976 2.309 -1.818
46 HB2 TYR 9 1HB TYR 9 -1.739 1.571 -2.706
47 HB3 TYR 9 2HB TYR 9 -2.065 -0.027 -2.033
48 HD1 TYR 9 HD1 TYR 9 -3.665 -1.523 -3.073
49 HD2 TYR 9 HD2 TYR 9 -3.087 2.426 -4.610
50 HE1 TYR 9 HE1 TYR 9 -4.948 -2.119 -5.093
51 HE2 TYR 9 HE2 TYR 9 -4.353 1.818 -6.639
52 HH TYR 9 HH TYR 9 -5.756 -1.428 -7.098
53 H ASN 10 H ASN 10 -2.927 -0.479 0.183
54 HA ASN 10 HA ASN 10 -5.748 -0.904 0.880
55 HB2 ASN 10 1HB ASN 10 -4.802 -2.262 -1.300
56 HB3 ASN 10 2HB ASN 10 -4.483 -3.432 -0.014
57 HD21 ASN 10 1HD2 ASN 10 -8.313 -2.471 -1.132
58 HD22 ASN 10 2HD2 ASN 10 -6.966 -1.427 -1.549
59 H LYS 11 H LYS 11 -2.663 -2.745 1.042
60 HA LYS 11 HA LYS 11 -2.914 -2.716 4.014
61 HB2 LYS 11 1HB LYS 11 -2.333 -5.132 2.263
62 HB3 LYS 11 2HB LYS 11 -2.250 -5.116 4.023
63 HG2 LYS 11 1HG LYS 11 -4.774 -4.629 2.407
64 HG3 LYS 11 2HG LYS 11 -4.298 -6.171 3.132
65 HD2 LYS 11 1HD LYS 11 -4.317 -5.114 5.376
66 HD3 LYS 11 2HD LYS 11 -4.889 -3.602 4.641
67 HE2 LYS 11 1HE LYS 11 -6.879 -4.776 3.778
68 HE3 LYS 11 2HE LYS 11 -6.317 -6.282 4.522
69 HZ1 LYS 11 1HZ LYS 11 -7.893 -5.101 5.974
70 HZ2 LYS 11 2HZ LYS 11 -6.420 -5.175 6.698
71 HZ3 LYS 11 3HZ LYS 11 -6.930 -3.773 6.003
72 H GLN 12 H GLN 12 -0.999 -1.935 1.455
73 HA GLN 12 HA GLN 12 1.508 -3.167 2.256
74 HB2 GLN 12 1HB GLN 12 0.848 -0.960 0.273
75 HB3 GLN 12 2HB GLN 12 2.433 -1.720 0.461
76 HG2 GLN 12 1HG GLN 12 1.721 -2.991 -1.230
77 HG3 GLN 12 2HG GLN 12 0.986 -3.932 0.072
78 HE21 GLN 12 1HE2 GLN 12 -1.303 -2.128 -2.753
79 HE22 GLN 12 2HE2 GLN 12 0.449 -2.108 -2.787
80 H CYS 13 H CYS 13 3.509 -1.697 2.466
81 HA CYS 13 HA CYS 13 3.062 -0.160 4.882
82 HB2 CYS 13 1HB CYS 13 5.147 -1.464 4.504
83 HB3 CYS 13 2HB CYS 13 5.585 -0.346 3.191
84 H LEU 14 H LEU 14 2.370 1.887 5.017
85 HA LEU 14 HA LEU 14 3.053 3.783 2.884
86 HB2 LEU 14 1HB LEU 14 0.826 3.695 4.048
87 HB3 LEU 14 2HB LEU 14 1.619 4.262 5.508
88 HG LEU 14 HG LEU 14 2.209 6.377 4.349
89 HD11 LEU 14 1HD1 LEU 14 1.047 6.928 2.227
90 HD12 LEU 14 2HD1 LEU 14 2.257 5.649 2.020
91 HD13 LEU 14 3HD1 LEU 14 0.526 5.233 2.087
92 HD21 LEU 14 1HD2 LEU 14 -0.056 7.281 4.386
93 HD22 LEU 14 2HD2 LEU 14 -0.741 5.648 4.229
94 HD23 LEU 14 3HD2 LEU 14 0.146 6.109 5.704
95 H ILE 15 H ILE 15 3.839 3.381 6.368
96 HA ILE 15 HA ILE 15 6.143 5.210 5.903
97 HB ILE 15 HB ILE 15 4.252 5.384 8.276
98 HG12 ILE 15 1HG1 ILE 15 4.851 7.497 6.186
99 HG13 ILE 15 2HG1 ILE 15 3.476 6.398 6.078
100 HG21 ILE 15 1HG2 ILE 15 6.587 5.780 8.946
101 HG22 ILE 15 2HG2 ILE 15 6.782 6.956 7.628
102 HG23 ILE 15 3HG2 ILE 15 5.678 7.293 8.980
103 HD11 ILE 15 1HD1 ILE 15 2.693 8.458 6.971
104 HD12 ILE 15 2HD1 ILE 15 2.657 7.249 8.273
105 HD13 ILE 15 3HD1 ILE 15 3.951 8.472 8.225
106 H PHE 16 H PHE 16 4.709 2.853 8.261
107 HA PHE 16 HA PHE 16 7.320 2.939 9.639
108 HB2 PHE 16 1HB PHE 16 4.649 1.821 10.526
109 HB3 PHE 16 2HB PHE 16 6.126 1.845 11.497
110 HD1 PHE 16 HD1 PHE 16 3.401 3.859 10.130
111 HD2 PHE 16 HD2 PHE 16 7.023 3.946 12.387
112 HE1 PHE 16 HE1 PHE 16 2.884 6.155 10.859
113 HE2 PHE 16 HE2 PHE 16 6.509 6.237 13.136
114 HZ PHE 16 HZ PHE 16 4.433 7.351 12.376
115 H CYS 17 H CYS 17 7.867 1.579 7.469
116 HA CYS 17 HA CYS 17 6.879 -1.071 7.304
117 HB2 CYS 17 1HB CYS 17 9.585 -0.233 6.189
118 HB3 CYS 17 2HB CYS 17 8.462 -1.455 5.573
119 HC CYS 17 HC CYS 17 8.849 -1.141 9.414
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.297 -0.245 -2.488
2 HA2 GLY 1 1HA GLY 1 2.759 1.067 -3.691
3 HA3 GLY 1 2HA GLY 1 2.349 2.457 -2.696
4 H GLY 2 H GLY 2 3.581 -0.644 -1.386
5 HA2 GLY 2 1HA GLY 2 6.304 0.348 -1.275
6 HA3 GLY 2 2HA GLY 2 5.479 0.396 0.287
7 H GLY 3 H GLY 3 6.830 -1.154 1.207
8 HA2 GLY 3 1HA GLY 3 6.900 -3.806 -0.142
9 HA3 GLY 3 2HA GLY 3 8.138 -3.178 0.931
10 H GLY 4 H GLY 4 7.114 -2.665 3.286
11 HA2 GLY 4 1HA GLY 4 6.221 -5.292 4.195
12 HA3 GLY 4 2HA GLY 4 6.559 -3.868 5.202
13 H ARG 5 H ARG 5 4.530 -4.423 6.398
14 HA ARG 5 HA ARG 5 2.161 -3.444 4.862
15 HB2 ARG 5 1HB ARG 5 2.059 -5.836 5.586
16 HB3 ARG 5 2HB ARG 5 2.162 -5.302 7.265
17 HG2 ARG 5 1HG ARG 5 0.017 -4.097 5.565
18 HG3 ARG 5 2HG ARG 5 -0.163 -5.800 6.009
19 HD2 ARG 5 1HD ARG 5 0.350 -3.586 8.015
20 HD3 ARG 5 2HD ARG 5 -1.268 -4.148 7.561
21 HE ARG 5 HE ARG 5 0.218 -6.418 8.306
22 HH11 ARG 5 1HH1 ARG 5 -1.018 -3.504 9.885
23 HH12 ARG 5 2HH1 ARG 5 -1.107 -4.298 11.448
24 HH21 ARG 5 1HH2 ARG 5 0.026 -7.357 10.291
25 HH22 ARG 5 2HH2 ARG 5 -0.542 -6.433 11.671
26 H GLY 6 H GLY 6 1.222 -1.658 5.506
27 HA2 GLY 6 1HA GLY 6 1.064 -0.779 8.249
28 HA3 GLY 6 2HA GLY 6 2.289 0.127 7.337
29 H TYR 7 H TYR 7 1.517 1.996 6.585
30 HA TYR 7 HA TYR 7 -1.305 2.290 5.808
31 HB2 TYR 7 1HB TYR 7 0.902 4.011 6.517
32 HB3 TYR 7 2HB TYR 7 0.283 4.509 4.947
33 HD1 TYR 7 HD1 TYR 7 -0.465 4.208 8.531
34 HD2 TYR 7 HD2 TYR 7 -2.063 5.283 4.709
35 HE1 TYR 7 HE1 TYR 7 -2.390 5.288 9.633
36 HE2 TYR 7 HE2 TYR 7 -3.987 6.350 5.818
37 HH TYR 7 HH TYR 7 -5.019 6.830 7.784
38 H GLU 8 H GLU 8 -0.934 3.920 3.482
39 HA GLU 8 HA GLU 8 -0.547 3.858 1.223
40 HB2 GLU 8 1HB GLU 8 1.677 2.690 1.725
41 HB3 GLU 8 2HB GLU 8 0.848 1.159 1.503
42 HG2 GLU 8 1HG GLU 8 0.454 3.091 -0.741
43 HG3 GLU 8 2HG GLU 8 2.123 2.601 -0.461
44 H TYR 9 H TYR 9 -1.690 3.247 -0.465
45 HA TYR 9 HA TYR 9 -3.992 2.640 -0.940
46 HB2 TYR 9 1HB TYR 9 -2.109 2.029 -2.490
47 HB3 TYR 9 2HB TYR 9 -2.161 0.396 -1.839
48 HD1 TYR 9 HD1 TYR 9 -3.885 -1.157 -2.542
49 HD2 TYR 9 HD2 TYR 9 -4.055 2.938 -3.774
50 HE1 TYR 9 HE1 TYR 9 -5.588 -1.730 -4.229
51 HE2 TYR 9 HE2 TYR 9 -5.749 2.354 -5.467
52 HH TYR 9 HH TYR 9 -6.981 0.707 -6.428
53 H ASN 10 H ASN 10 -2.792 -0.685 -0.483
54 HA ASN 10 HA ASN 10 -4.067 -0.948 2.068
55 HB2 ASN 10 1HB ASN 10 -5.940 -1.183 0.197
56 HB3 ASN 10 2HB ASN 10 -5.258 -2.806 0.008
57 HD21 ASN 10 1HD2 ASN 10 -7.911 -2.085 2.885
58 HD22 ASN 10 2HD2 ASN 10 -7.606 -1.047 1.504
59 H LYS 11 H LYS 11 -3.494 -2.959 3.031
60 HA LYS 11 HA LYS 11 -2.355 -4.866 3.433
61 HB2 LYS 11 1HB LYS 11 -2.097 -5.134 0.436
62 HB3 LYS 11 2HB LYS 11 -1.806 -6.395 1.635
63 HG2 LYS 11 1HG LYS 11 -4.176 -6.272 2.338
64 HG3 LYS 11 2HG LYS 11 -4.462 -5.017 1.112
65 HD2 LYS 11 1HD LYS 11 -3.686 -6.623 -0.634
66 HD3 LYS 11 2HD LYS 11 -3.601 -7.880 0.619
67 HE2 LYS 11 1HE LYS 11 -5.998 -7.575 1.098
68 HE3 LYS 11 2HE LYS 11 -6.091 -6.295 -0.122
69 HZ1 LYS 11 1HZ LYS 11 -6.789 -8.439 -1.054
70 HZ2 LYS 11 2HZ LYS 11 -5.412 -7.945 -1.800
71 HZ3 LYS 11 3HZ LYS 11 -5.350 -9.130 -0.666
72 H GLN 12 H GLN 12 -0.709 -2.595 1.340
73 HA GLN 12 HA GLN 12 1.910 -3.725 2.184
74 HB2 GLN 12 1HB GLN 12 1.046 -1.840 -0.009
75 HB3 GLN 12 2HB GLN 12 2.733 -1.904 0.506
76 HG2 GLN 12 1HG GLN 12 2.867 -3.416 -1.141
77 HG3 GLN 12 2HG GLN 12 2.405 -4.509 0.166
78 HE21 GLN 12 1HE2 GLN 12 -0.136 -3.751 -2.964
79 HE22 GLN 12 2HE2 GLN 12 1.377 -2.881 -2.773
80 H CYS 13 H CYS 13 3.355 -1.266 1.981
81 HA CYS 13 HA CYS 13 2.425 0.138 4.449
82 HB2 CYS 13 1HB CYS 13 4.158 -1.549 4.937
83 HB3 CYS 13 2HB CYS 13 5.209 -0.834 3.710
84 H LEU 14 H LEU 14 2.937 2.324 4.640
85 HA LEU 14 HA LEU 14 4.097 3.578 2.205
86 HB2 LEU 14 1HB LEU 14 1.832 4.295 3.113
87 HB3 LEU 14 2HB LEU 14 2.679 4.932 4.514
88 HG LEU 14 HG LEU 14 3.923 6.486 2.985
89 HD11 LEU 14 1HD1 LEU 14 1.949 5.404 0.933
90 HD12 LEU 14 2HD1 LEU 14 2.933 6.873 0.731
91 HD13 LEU 14 3HD1 LEU 14 3.725 5.292 0.865
92 HD21 LEU 14 1HD2 LEU 14 1.984 7.977 2.685
93 HD22 LEU 14 2HD2 LEU 14 0.881 6.602 2.930
94 HD23 LEU 14 3HD2 LEU 14 1.928 7.159 4.259
95 H ILE 15 H ILE 15 4.303 3.825 5.791
96 HA ILE 15 HA ILE 15 7.181 4.467 5.469
97 HB ILE 15 HB ILE 15 5.311 6.082 7.252
98 HG12 ILE 15 1HG1 ILE 15 6.940 7.075 4.895
99 HG13 ILE 15 2HG1 ILE 15 5.248 6.597 4.753
100 HG21 ILE 15 1HG2 ILE 15 7.332 7.398 7.787
101 HG22 ILE 15 2HG2 ILE 15 7.545 5.703 8.249
102 HG23 ILE 15 3HG2 ILE 15 8.311 6.318 6.768
103 HD11 ILE 15 1HD1 ILE 15 5.335 8.969 4.963
104 HD12 ILE 15 2HD1 ILE 15 4.640 8.301 6.456
105 HD13 ILE 15 3HD1 ILE 15 6.328 8.868 6.432
106 H PHE 16 H PHE 16 4.596 4.003 7.953
107 HA PHE 16 HA PHE 16 6.610 2.627 9.633
108 HB2 PHE 16 1HB PHE 16 3.814 3.631 10.241
109 HB3 PHE 16 2HB PHE 16 4.831 2.747 11.383
110 HD1 PHE 16 HD1 PHE 16 6.709 3.792 12.476
111 HD2 PHE 16 HD2 PHE 16 4.455 5.910 9.531
112 HE1 PHE 16 HE1 PHE 16 7.837 5.885 13.126
113 HE2 PHE 16 HE2 PHE 16 5.604 8.000 10.147
114 HZ PHE 16 HZ PHE 16 7.289 7.999 11.961
115 H CYS 17 H CYS 17 6.820 0.503 9.170
116 HA CYS 17 HA CYS 17 4.464 -0.891 8.064
117 HB2 CYS 17 1HB CYS 17 7.329 -1.909 8.125
118 HB3 CYS 17 2HB CYS 17 5.983 -2.489 7.127
119 HC CYS 17 HC CYS 17 4.199 -1.953 10.281
Start of MODEL 9
1 H1 GLY 1 H GLY 1 2.564 0.729 -1.919
2 HA2 GLY 1 1HA GLY 1 3.943 2.006 0.218
3 HA3 GLY 1 2HA GLY 1 3.100 0.572 0.832
4 H GLY 2 H GLY 2 5.996 1.122 0.591
5 HA2 GLY 2 1HA GLY 2 6.777 -0.834 -1.502
6 HA3 GLY 2 2HA GLY 2 7.836 0.334 -0.720
7 H GLY 3 H GLY 3 6.125 -0.916 1.791
8 HA2 GLY 3 1HA GLY 3 8.186 -3.042 2.220
9 HA3 GLY 3 2HA GLY 3 7.480 -2.051 3.504
10 H GLY 4 H GLY 4 6.699 -3.768 4.713
11 HA2 GLY 4 1HA GLY 4 5.265 -5.951 3.556
12 HA3 GLY 4 2HA GLY 4 5.340 -5.544 5.270
13 H ARG 5 H ARG 5 3.614 -4.455 6.236
14 HA ARG 5 HA ARG 5 1.335 -3.770 4.453
15 HB2 ARG 5 1HB ARG 5 1.354 -5.781 6.703
16 HB3 ARG 5 2HB ARG 5 -0.097 -4.847 6.358
17 HG2 ARG 5 1HG ARG 5 -0.576 -6.608 5.042
18 HG3 ARG 5 2HG ARG 5 0.356 -5.672 3.871
19 HD2 ARG 5 1HD ARG 5 1.143 -7.893 3.712
20 HD3 ARG 5 2HD ARG 5 2.396 -7.008 4.596
21 HE ARG 5 HE ARG 5 0.607 -8.121 6.487
22 HH11 ARG 5 1HH1 ARG 5 2.977 -9.287 4.134
23 HH12 ARG 5 2HH1 ARG 5 3.314 -10.728 5.076
24 HH21 ARG 5 1HH2 ARG 5 1.074 -9.967 7.600
25 HH22 ARG 5 2HH2 ARG 5 2.260 -11.107 6.991
26 H GLY 6 H GLY 6 -0.220 -2.381 5.291
27 HA2 GLY 6 1HA GLY 6 -0.704 -1.212 7.600
28 HA3 GLY 6 2HA GLY 6 0.915 -0.566 7.338
29 H TYR 7 H TYR 7 -2.222 -0.881 5.644
30 HA TYR 7 HA TYR 7 -3.669 0.740 5.055
31 HB2 TYR 7 1HB TYR 7 -2.466 1.935 7.009
32 HB3 TYR 7 2HB TYR 7 -1.734 2.919 5.739
33 HD1 TYR 7 HD1 TYR 7 -4.787 2.234 7.631
34 HD2 TYR 7 HD2 TYR 7 -3.190 4.267 4.234
35 HE1 TYR 7 HE1 TYR 7 -6.825 3.617 7.505
36 HE2 TYR 7 HE2 TYR 7 -5.222 5.683 4.125
37 HH TYR 7 HH TYR 7 -7.272 6.121 5.008
38 H GLU 8 H GLU 8 -0.477 1.032 3.629
39 HA GLU 8 HA GLU 8 -1.057 3.125 1.803
40 HB2 GLU 8 1HB GLU 8 1.232 2.165 2.435
41 HB3 GLU 8 2HB GLU 8 0.914 0.849 1.315
42 HG2 GLU 8 1HG GLU 8 0.463 3.587 0.191
43 HG3 GLU 8 2HG GLU 8 2.126 3.264 0.652
44 H TYR 9 H TYR 9 -2.947 2.965 0.870
45 HA TYR 9 HA TYR 9 -4.090 2.923 -1.069
46 HB2 TYR 9 1HB TYR 9 -1.655 2.834 -1.961
47 HB3 TYR 9 2HB TYR 9 -2.041 1.165 -2.391
48 HD1 TYR 9 HD1 TYR 9 -3.691 0.696 -4.169
49 HD2 TYR 9 HD2 TYR 9 -2.749 4.721 -3.069
50 HE1 TYR 9 HE1 TYR 9 -4.776 1.516 -6.227
51 HE2 TYR 9 HE2 TYR 9 -3.843 5.536 -5.125
52 HH TYR 9 HH TYR 9 -5.344 3.324 -7.480
53 H ASN 10 H ASN 10 -2.746 -0.289 -0.414
54 HA ASN 10 HA ASN 10 -5.505 -1.397 -0.769
55 HB2 ASN 10 1HB ASN 10 -4.201 -2.050 -2.726
56 HB3 ASN 10 2HB ASN 10 -2.872 -2.611 -1.705
57 HD21 ASN 10 1HD2 ASN 10 -4.139 -5.843 -1.766
58 HD22 ASN 10 2HD2 ASN 10 -2.763 -4.754 -1.788
59 H LYS 11 H LYS 11 -2.397 -2.886 0.214
60 HA LYS 11 HA LYS 11 -3.391 -2.927 3.024
61 HB2 LYS 11 1HB LYS 11 -2.178 -5.253 1.492
62 HB3 LYS 11 2HB LYS 11 -2.513 -5.254 3.220
63 HG2 LYS 11 1HG LYS 11 -4.601 -4.989 1.032
64 HG3 LYS 11 2HG LYS 11 -4.190 -6.484 1.871
65 HD2 LYS 11 1HD LYS 11 -5.303 -4.002 3.224
66 HD3 LYS 11 2HD LYS 11 -6.260 -5.391 2.705
67 HE2 LYS 11 1HE LYS 11 -4.942 -6.862 4.198
68 HE3 LYS 11 2HE LYS 11 -4.007 -5.457 4.743
69 HZ1 LYS 11 1HZ LYS 11 -5.883 -5.913 6.249
70 HZ2 LYS 11 2HZ LYS 11 -6.094 -4.453 5.522
71 HZ3 LYS 11 3HZ LYS 11 -6.958 -5.752 5.019
72 H GLN 12 H GLN 12 -0.951 -1.887 1.049
73 HA GLN 12 HA GLN 12 1.283 -3.317 2.230
74 HB2 GLN 12 1HB GLN 12 1.100 -1.061 0.216
75 HB3 GLN 12 2HB GLN 12 2.623 -1.785 0.744
76 HG2 GLN 12 1HG GLN 12 2.248 -2.959 -1.163
77 HG3 GLN 12 2HG GLN 12 1.523 -4.038 0.033
78 HE21 GLN 12 1HE2 GLN 12 -0.810 -2.083 -2.746
79 HE22 GLN 12 2HE2 GLN 12 0.848 -1.601 -2.460
80 H CYS 13 H CYS 13 3.306 -2.049 2.845
81 HA CYS 13 HA CYS 13 2.670 -0.563 5.246
82 HB2 CYS 13 1HB CYS 13 4.631 -2.010 5.120
83 HB3 CYS 13 2HB CYS 13 5.274 -1.054 3.773
84 H LEU 14 H LEU 14 2.296 1.520 5.525
85 HA LEU 14 HA LEU 14 2.978 3.412 3.365
86 HB2 LEU 14 1HB LEU 14 0.696 3.261 4.357
87 HB3 LEU 14 2HB LEU 14 1.360 3.758 5.902
88 HG LEU 14 HG LEU 14 1.973 5.954 4.921
89 HD11 LEU 14 1HD1 LEU 14 0.450 4.925 2.496
90 HD12 LEU 14 2HD1 LEU 14 0.942 6.612 2.766
91 HD13 LEU 14 3HD1 LEU 14 2.176 5.357 2.554
92 HD21 LEU 14 1HD2 LEU 14 -0.936 5.121 4.611
93 HD22 LEU 14 2HD2 LEU 14 -0.139 5.579 6.136
94 HD23 LEU 14 3HD2 LEU 14 -0.340 6.780 4.845
95 H ILE 15 H ILE 15 3.766 2.880 6.818
96 HA ILE 15 HA ILE 15 5.649 5.174 6.614
97 HB ILE 15 HB ILE 15 4.308 4.759 9.248
98 HG12 ILE 15 1HG1 ILE 15 2.940 6.306 7.022
99 HG13 ILE 15 2HG1 ILE 15 2.389 4.750 7.660
100 HG21 ILE 15 1HG2 ILE 15 5.082 7.270 7.701
101 HG22 ILE 15 2HG2 ILE 15 4.696 7.156 9.433
102 HG23 ILE 15 3HG2 ILE 15 6.167 6.401 8.808
103 HD11 ILE 15 1HD1 ILE 15 2.153 5.813 9.912
104 HD12 ILE 15 2HD1 ILE 15 2.463 7.383 9.131
105 HD13 ILE 15 3HD1 ILE 15 1.049 6.420 8.655
106 H PHE 16 H PHE 16 7.518 5.030 7.747
107 HA PHE 16 HA PHE 16 9.299 4.105 8.763
108 HB2 PHE 16 1HB PHE 16 7.262 2.573 10.389
109 HB3 PHE 16 2HB PHE 16 8.992 2.652 10.722
110 HD1 PHE 16 HD1 PHE 16 10.051 4.722 11.502
111 HD2 PHE 16 HD2 PHE 16 5.839 4.464 10.863
112 HE1 PHE 16 HE1 PHE 16 9.739 6.824 12.752
113 HE2 PHE 16 HE2 PHE 16 5.520 6.595 12.056
114 HZ PHE 16 HZ PHE 16 7.471 7.777 13.024
115 H CYS 17 H CYS 17 8.111 2.778 6.358
116 HA CYS 17 HA CYS 17 8.280 -0.035 6.584
117 HB2 CYS 17 1HB CYS 17 8.879 1.654 4.110
118 HB3 CYS 17 2HB CYS 17 8.390 -0.049 4.137
119 HC CYS 17 HC CYS 17 10.887 0.445 7.026
Start of MODEL 10
1 H1 GLY 1 H GLY 1 3.489 1.937 -0.306
2 HA2 GLY 1 1HA GLY 1 3.081 -0.537 -1.851
3 HA3 GLY 1 2HA GLY 1 3.658 0.851 -2.762
4 H GLY 2 H GLY 2 4.719 0.438 0.573
5 HA2 GLY 2 1HA GLY 2 7.455 0.204 -0.440
6 HA3 GLY 2 2HA GLY 2 6.961 0.482 1.225
7 H GLY 3 H GLY 3 5.544 -2.223 -0.499
8 HA2 GLY 3 1HA GLY 3 6.102 -4.464 -0.524
9 HA3 GLY 3 2HA GLY 3 7.629 -4.096 0.277
10 H GLY 4 H GLY 4 6.874 -2.979 2.638
11 HA2 GLY 4 1HA GLY 4 6.004 -5.317 4.116
12 HA3 GLY 4 2HA GLY 4 6.409 -3.726 4.783
13 H ARG 5 H ARG 5 4.596 -3.745 6.211
14 HA ARG 5 HA ARG 5 2.003 -3.271 4.809
15 HB2 ARG 5 1HB ARG 5 2.568 -4.999 7.226
16 HB3 ARG 5 2HB ARG 5 0.994 -4.244 6.982
17 HG2 ARG 5 1HG ARG 5 0.571 -6.237 5.994
18 HG3 ARG 5 2HG ARG 5 1.150 -5.338 4.590
19 HD2 ARG 5 1HD ARG 5 2.220 -7.421 4.467
20 HD3 ARG 5 2HD ARG 5 3.462 -6.328 5.093
21 HE ARG 5 HE ARG 5 2.143 -7.464 7.311
22 HH11 ARG 5 1HH1 ARG 5 4.190 -8.601 4.659
23 HH12 ARG 5 2HH1 ARG 5 4.794 -9.950 5.605
24 HH21 ARG 5 1HH2 ARG 5 2.955 -9.181 8.433
25 HH22 ARG 5 2HH2 ARG 5 4.107 -10.276 7.688
26 H GLY 6 H GLY 6 0.543 -1.870 5.792
27 HA2 GLY 6 1HA GLY 6 0.313 -0.495 7.979
28 HA3 GLY 6 2HA GLY 6 1.899 0.133 7.524
29 H TYR 7 H TYR 7 -1.492 -0.091 6.554
30 HA TYR 7 HA TYR 7 -2.865 1.358 5.507
31 HB2 TYR 7 1HB TYR 7 -1.164 2.974 6.846
32 HB3 TYR 7 2HB TYR 7 -0.922 3.591 5.229
33 HD1 TYR 7 HD1 TYR 7 -2.985 3.642 8.135
34 HD2 TYR 7 HD2 TYR 7 -3.155 4.184 3.891
35 HE1 TYR 7 HE1 TYR 7 -5.077 4.927 8.374
36 HE2 TYR 7 HE2 TYR 7 -5.245 5.448 4.138
37 HH TYR 7 HH TYR 7 -6.811 6.271 5.563
38 H GLU 8 H GLU 8 -1.174 3.414 3.604
39 HA GLU 8 HA GLU 8 -0.808 3.570 1.379
40 HB2 GLU 8 1HB GLU 8 0.849 1.588 2.225
41 HB3 GLU 8 2HB GLU 8 -0.082 0.681 1.042
42 HG2 GLU 8 1HG GLU 8 0.455 3.036 -0.353
43 HG3 GLU 8 2HG GLU 8 1.892 2.905 0.662
44 H TYR 9 H TYR 9 -1.052 1.449 -0.629
45 HA TYR 9 HA TYR 9 -3.625 2.326 -1.473
46 HB2 TYR 9 1HB TYR 9 -1.540 1.614 -2.823
47 HB3 TYR 9 2HB TYR 9 -2.116 -0.040 -2.613
48 HD1 TYR 9 HD1 TYR 9 -2.607 3.128 -4.374
49 HD2 TYR 9 HD2 TYR 9 -4.322 -0.720 -3.633
50 HE1 TYR 9 HE1 TYR 9 -4.053 3.385 -6.355
51 HE2 TYR 9 HE2 TYR 9 -5.744 -0.469 -5.628
52 HH TYR 9 HH TYR 9 -6.362 0.859 -7.360
53 H ASN 10 H ASN 10 -2.549 -0.781 -0.161
54 HA ASN 10 HA ASN 10 -5.420 -1.637 -0.048
55 HB2 ASN 10 1HB ASN 10 -2.927 -3.270 -0.683
56 HB3 ASN 10 2HB ASN 10 -4.471 -3.997 -0.198
57 HD21 ASN 10 1HD2 ASN 10 -3.869 -3.226 -4.021
58 HD22 ASN 10 2HD2 ASN 10 -2.608 -3.335 -2.807
59 H LYS 11 H LYS 11 -2.355 -2.929 1.230
60 HA LYS 11 HA LYS 11 -2.917 -1.859 3.890
61 HB2 LYS 11 1HB LYS 11 -2.731 -3.994 5.051
62 HB3 LYS 11 2HB LYS 11 -4.156 -3.939 4.023
63 HG2 LYS 11 1HG LYS 11 -1.722 -5.149 2.800
64 HG3 LYS 11 2HG LYS 11 -2.449 -6.032 4.154
65 HD2 LYS 11 1HD LYS 11 -4.644 -5.960 3.008
66 HD3 LYS 11 2HD LYS 11 -3.890 -5.135 1.635
67 HE2 LYS 11 1HE LYS 11 -2.379 -7.065 1.303
68 HE3 LYS 11 2HE LYS 11 -3.146 -7.895 2.667
69 HZ1 LYS 11 1HZ LYS 11 -5.260 -7.810 1.459
70 HZ2 LYS 11 2HZ LYS 11 -4.571 -7.025 0.194
71 HZ3 LYS 11 3HZ LYS 11 -4.144 -8.572 0.538
72 H GLN 12 H GLN 12 -0.916 -1.853 1.589
73 HA GLN 12 HA GLN 12 1.444 -3.205 2.637
74 HB2 GLN 12 1HB GLN 12 0.659 -1.826 0.164
75 HB3 GLN 12 2HB GLN 12 2.313 -1.463 0.658
76 HG2 GLN 12 1HG GLN 12 2.730 -3.931 0.871
77 HG3 GLN 12 2HG GLN 12 1.126 -4.208 0.181
78 HE21 GLN 12 1HE2 GLN 12 2.314 -3.966 -3.096
79 HE22 GLN 12 2HE2 GLN 12 1.106 -4.560 -1.974
80 H CYS 13 H CYS 13 3.563 -1.790 2.567
81 HA CYS 13 HA CYS 13 3.372 0.006 4.813
82 HB2 CYS 13 1HB CYS 13 5.331 -1.379 4.389
83 HB3 CYS 13 2HB CYS 13 5.586 -0.600 2.828
84 H LEU 14 H LEU 14 2.576 2.005 4.754
85 HA LEU 14 HA LEU 14 3.414 3.797 2.536
86 HB2 LEU 14 1HB LEU 14 1.044 3.765 3.348
87 HB3 LEU 14 2HB LEU 14 1.608 4.298 4.924
88 HG LEU 14 HG LEU 14 2.437 6.411 3.861
89 HD11 LEU 14 1HD1 LEU 14 2.672 5.672 1.541
90 HD12 LEU 14 2HD1 LEU 14 0.927 5.329 1.449
91 HD13 LEU 14 3HD1 LEU 14 1.502 7.001 1.637
92 HD21 LEU 14 1HD2 LEU 14 0.276 6.243 5.032
93 HD22 LEU 14 2HD2 LEU 14 0.186 7.379 3.671
94 HD23 LEU 14 3HD2 LEU 14 -0.514 5.752 3.514
95 H ILE 15 H ILE 15 3.563 3.545 6.109
96 HA ILE 15 HA ILE 15 5.901 5.411 6.028
97 HB ILE 15 HB ILE 15 3.784 5.246 8.207
98 HG12 ILE 15 1HG1 ILE 15 2.904 6.350 6.199
99 HG13 ILE 15 2HG1 ILE 15 3.041 7.426 7.579
100 HG21 ILE 15 1HG2 ILE 15 4.961 7.265 9.116
101 HG22 ILE 15 2HG2 ILE 15 5.932 5.784 9.164
102 HG23 ILE 15 3HG2 ILE 15 6.247 7.005 7.916
103 HD11 ILE 15 1HD1 ILE 15 3.670 8.492 5.446
104 HD12 ILE 15 2HD1 ILE 15 4.979 8.514 6.645
105 HD13 ILE 15 3HD1 ILE 15 5.030 7.357 5.293
106 H PHE 16 H PHE 16 4.319 2.695 7.797
107 HA PHE 16 HA PHE 16 6.563 2.848 9.718
108 HB2 PHE 16 1HB PHE 16 3.911 1.394 9.949
109 HB3 PHE 16 2HB PHE 16 5.097 1.642 11.234
110 HD1 PHE 16 HD1 PHE 16 2.098 2.841 9.875
111 HD2 PHE 16 HD2 PHE 16 5.753 4.220 11.611
112 HE1 PHE 16 HE1 PHE 16 1.018 4.982 10.441
113 HE2 PHE 16 HE2 PHE 16 4.690 6.376 12.145
114 HZ PHE 16 HZ PHE 16 2.313 6.759 11.577
115 H CYS 17 H CYS 17 7.171 1.663 7.253
116 HA CYS 17 HA CYS 17 7.063 -1.064 6.944
117 HB2 CYS 17 1HB CYS 17 9.171 1.016 6.429
118 HB3 CYS 17 2HB CYS 17 9.698 -0.676 6.350
119 HC CYS 17 HC CYS 17 8.100 -1.038 9.543
Start of MODEL 11
1 H1 GLY 1 H GLY 1 3.122 1.600 -0.001
2 HA2 GLY 1 1HA GLY 1 2.652 -0.688 -1.454
3 HA3 GLY 1 2HA GLY 1 3.079 0.480 -2.692
4 H GLY 2 H GLY 2 4.589 0.530 0.531
5 HA2 GLY 2 1HA GLY 2 7.168 0.243 -0.809
6 HA3 GLY 2 2HA GLY 2 6.891 0.648 0.881
7 H GLY 3 H GLY 3 5.480 -2.233 -0.608
8 HA2 GLY 3 1HA GLY 3 6.223 -4.424 -0.607
9 HA3 GLY 3 2HA GLY 3 7.714 -3.926 0.183
10 H GLY 4 H GLY 4 6.857 -2.867 2.574
11 HA2 GLY 4 1HA GLY 4 6.022 -5.321 3.950
12 HA3 GLY 4 2HA GLY 4 6.510 -3.799 4.708
13 H ARG 5 H ARG 5 4.658 -3.926 6.168
14 HA ARG 5 HA ARG 5 2.036 -3.659 4.774
15 HB2 ARG 5 1HB ARG 5 0.986 -4.590 6.684
16 HB3 ARG 5 2HB ARG 5 2.338 -5.636 6.249
17 HG2 ARG 5 1HG ARG 5 3.686 -4.627 8.073
18 HG3 ARG 5 2HG ARG 5 2.295 -3.613 8.512
19 HD2 ARG 5 1HD ARG 5 0.955 -5.726 8.802
20 HD3 ARG 5 2HD ARG 5 2.450 -6.645 8.580
21 HE ARG 5 HE ARG 5 1.635 -5.062 10.912
22 HH11 ARG 5 1HH1 ARG 5 4.359 -6.706 9.351
23 HH12 ARG 5 2HH1 ARG 5 5.240 -6.827 10.863
24 HH21 ARG 5 1HH2 ARG 5 2.823 -5.229 12.750
25 HH22 ARG 5 2HH2 ARG 5 4.399 -6.002 12.738
26 H GLY 6 H GLY 6 0.368 -2.331 5.851
27 HA2 GLY 6 1HA GLY 6 0.583 -0.435 7.761
28 HA3 GLY 6 2HA GLY 6 1.591 0.259 6.481
29 H TYR 7 H TYR 7 0.169 2.042 6.302
30 HA TYR 7 HA TYR 7 -2.642 1.758 5.775
31 HB2 TYR 7 1HB TYR 7 -1.437 3.727 6.768
32 HB3 TYR 7 2HB TYR 7 -0.796 4.074 5.158
33 HD1 TYR 7 HD1 TYR 7 -3.760 4.220 7.317
34 HD2 TYR 7 HD2 TYR 7 -2.332 4.731 3.325
35 HE1 TYR 7 HE1 TYR 7 -5.826 5.433 6.736
36 HE2 TYR 7 HE2 TYR 7 -4.380 6.004 2.756
37 HH TYR 7 HH TYR 7 -6.400 6.758 3.475
38 H GLU 8 H GLU 8 0.164 1.882 3.610
39 HA GLU 8 HA GLU 8 -1.064 3.390 1.557
40 HB2 GLU 8 1HB GLU 8 1.423 3.034 1.934
41 HB3 GLU 8 2HB GLU 8 1.245 1.402 1.311
42 HG2 GLU 8 1HG GLU 8 0.079 3.392 -0.536
43 HG3 GLU 8 2HG GLU 8 1.765 3.760 -0.173
44 H TYR 9 H TYR 9 -2.540 3.013 0.212
45 HA TYR 9 HA TYR 9 -3.873 2.066 -1.339
46 HB2 TYR 9 1HB TYR 9 -1.712 1.682 -2.436
47 HB3 TYR 9 2HB TYR 9 -1.614 0.081 -1.708
48 HD1 TYR 9 HD1 TYR 9 -3.628 2.190 -4.046
49 HD2 TYR 9 HD2 TYR 9 -2.704 -1.776 -2.738
50 HE1 TYR 9 HE1 TYR 9 -4.939 1.263 -5.919
51 HE2 TYR 9 HE2 TYR 9 -4.016 -2.698 -4.614
52 HH TYR 9 HH TYR 9 -5.689 -0.606 -6.967
53 H ASN 10 H ASN 10 -2.444 -0.992 -0.172
54 HA ASN 10 HA ASN 10 -5.030 -1.740 1.032
55 HB2 ASN 10 1HB ASN 10 -5.089 -2.437 -1.413
56 HB3 ASN 10 2HB ASN 10 -3.737 -3.528 -1.055
57 HD21 ASN 10 1HD2 ASN 10 -6.827 -5.521 -0.806
58 HD22 ASN 10 2HD2 ASN 10 -5.930 -4.667 -2.051
59 H LYS 11 H LYS 11 -3.720 -1.459 2.873
60 HA LYS 11 HA LYS 11 -2.542 -2.216 4.651
61 HB2 LYS 11 1HB LYS 11 -2.768 -4.926 3.317
62 HB3 LYS 11 2HB LYS 11 -2.293 -4.617 4.989
63 HG2 LYS 11 1HG LYS 11 -4.641 -3.301 4.977
64 HG3 LYS 11 2HG LYS 11 -4.989 -4.511 3.732
65 HD2 LYS 11 1HD LYS 11 -3.925 -5.115 6.516
66 HD3 LYS 11 2HD LYS 11 -5.630 -5.197 6.049
67 HE2 LYS 11 1HE LYS 11 -5.090 -6.933 4.373
68 HE3 LYS 11 2HE LYS 11 -3.381 -6.847 4.833
69 HZ1 LYS 11 1HZ LYS 11 -4.028 -7.495 7.106
70 HZ2 LYS 11 2HZ LYS 11 -5.610 -7.586 6.670
71 HZ3 LYS 11 3HZ LYS 11 -4.523 -8.639 6.037
72 H GLN 12 H GLN 12 -0.953 -1.282 2.315
73 HA GLN 12 HA GLN 12 1.509 -2.909 2.754
74 HB2 GLN 12 1HB GLN 12 0.682 -1.104 0.476
75 HB3 GLN 12 2HB GLN 12 2.319 -1.743 0.668
76 HG2 GLN 12 1HG GLN 12 1.632 -3.970 0.373
77 HG3 GLN 12 2HG GLN 12 -0.069 -3.574 0.646
78 HE21 GLN 12 1HE2 GLN 12 -0.753 -3.187 -2.732
79 HE22 GLN 12 2HE2 GLN 12 -1.296 -3.568 -1.105
80 H CYS 13 H CYS 13 3.572 -1.696 2.608
81 HA CYS 13 HA CYS 13 3.673 0.121 4.795
82 HB2 CYS 13 1HB CYS 13 5.584 -1.268 4.120
83 HB3 CYS 13 2HB CYS 13 5.712 -0.373 2.600
84 H LEU 14 H LEU 14 3.276 2.181 5.004
85 HA LEU 14 HA LEU 14 3.535 3.952 2.621
86 HB2 LEU 14 1HB LEU 14 1.338 3.942 3.867
87 HB3 LEU 14 2HB LEU 14 2.195 4.525 5.286
88 HG LEU 14 HG LEU 14 2.823 6.582 4.037
89 HD11 LEU 14 1HD1 LEU 14 1.575 7.130 1.968
90 HD12 LEU 14 2HD1 LEU 14 2.699 5.782 1.729
91 HD13 LEU 14 3HD1 LEU 14 0.955 5.465 1.910
92 HD21 LEU 14 1HD2 LEU 14 0.833 6.438 5.517
93 HD22 LEU 14 2HD2 LEU 14 0.613 7.592 4.186
94 HD23 LEU 14 3HD2 LEU 14 -0.158 5.993 4.105
95 H ILE 15 H ILE 15 4.218 3.876 6.152
96 HA ILE 15 HA ILE 15 6.833 5.157 5.557
97 HB ILE 15 HB ILE 15 5.001 6.022 7.835
98 HG12 ILE 15 1HG1 ILE 15 6.015 7.707 5.527
99 HG13 ILE 15 2HG1 ILE 15 4.452 6.894 5.497
100 HG21 ILE 15 1HG2 ILE 15 7.787 6.973 7.040
101 HG22 ILE 15 2HG2 ILE 15 6.792 7.647 8.350
102 HG23 ILE 15 3HG2 ILE 15 7.393 5.988 8.465
103 HD11 ILE 15 1HD1 ILE 15 3.788 8.133 7.547
104 HD12 ILE 15 2HD1 ILE 15 5.307 9.054 7.433
105 HD13 ILE 15 3HD1 ILE 15 4.100 9.165 6.134
106 H PHE 16 H PHE 16 4.792 3.675 8.132
107 HA PHE 16 HA PHE 16 7.263 2.471 9.260
108 HB2 PHE 16 1HB PHE 16 4.487 2.765 10.446
109 HB3 PHE 16 2HB PHE 16 5.866 1.998 11.241
110 HD1 PHE 16 HD1 PHE 16 7.710 3.322 12.123
111 HD2 PHE 16 HD2 PHE 16 4.432 5.184 10.118
112 HE1 PHE 16 HE1 PHE 16 8.481 5.524 12.920
113 HE2 PHE 16 HE2 PHE 16 5.207 7.392 10.890
114 HZ PHE 16 HZ PHE 16 7.232 7.569 12.303
115 H CYS 17 H CYS 17 7.539 0.796 7.740
116 HA CYS 17 HA CYS 17 5.436 -0.578 6.530
117 HB2 CYS 17 1HB CYS 17 8.247 -1.687 6.992
118 HB3 CYS 17 2HB CYS 17 7.101 -2.184 5.740
119 HC CYS 17 HC CYS 17 5.290 -1.724 9.070
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.825 1.687 -2.564
2 HA2 GLY 1 1HA GLY 1 2.433 0.578 0.030
3 HA3 GLY 1 2HA GLY 1 3.037 0.039 -1.533
4 H GLY 2 H GLY 2 4.592 -0.087 0.688
5 HA2 GLY 2 1HA GLY 2 6.974 1.215 -0.090
6 HA3 GLY 2 2HA GLY 2 6.204 2.199 1.162
7 H GLY 3 H GLY 3 5.987 -1.346 0.965
8 HA2 GLY 3 1HA GLY 3 7.955 -2.414 2.377
9 HA3 GLY 3 2HA GLY 3 7.147 -1.506 3.670
10 H GLY 4 H GLY 4 6.798 -3.677 4.599
11 HA2 GLY 4 1HA GLY 4 5.463 -5.760 3.311
12 HA3 GLY 4 2HA GLY 4 5.523 -5.517 5.051
13 H ARG 5 H ARG 5 3.721 -4.436 6.097
14 HA ARG 5 HA ARG 5 1.285 -4.168 4.421
15 HB2 ARG 5 1HB ARG 5 1.573 -6.028 6.800
16 HB3 ARG 5 2HB ARG 5 0.027 -5.515 6.133
17 HG2 ARG 5 1HG ARG 5 0.098 -7.304 4.826
18 HG3 ARG 5 2HG ARG 5 1.363 -6.488 3.898
19 HD2 ARG 5 1HD ARG 5 3.083 -7.505 5.345
20 HD3 ARG 5 2HD ARG 5 1.826 -8.325 6.279
21 HE ARG 5 HE ARG 5 2.799 -9.005 3.594
22 HH11 ARG 5 1HH1 ARG 5 0.245 -9.585 5.979
23 HH12 ARG 5 2HH1 ARG 5 -0.195 -11.113 5.236
24 HH21 ARG 5 1HH2 ARG 5 2.164 -10.918 2.719
25 HH22 ARG 5 2HH2 ARG 5 0.859 -11.847 3.437
26 H GLY 6 H GLY 6 -0.068 -2.576 5.070
27 HA2 GLY 6 1HA GLY 6 -0.414 -1.866 7.815
28 HA3 GLY 6 2HA GLY 6 0.686 -0.722 7.047
29 H TYR 7 H TYR 7 -0.173 0.117 4.823
30 HA TYR 7 HA TYR 7 -3.058 0.403 4.641
31 HB2 TYR 7 1HB TYR 7 -2.080 1.951 6.538
32 HB3 TYR 7 2HB TYR 7 -1.614 2.993 5.212
33 HD1 TYR 7 HD1 TYR 7 -4.323 1.743 7.275
34 HD2 TYR 7 HD2 TYR 7 -3.486 3.837 3.639
35 HE1 TYR 7 HE1 TYR 7 -6.614 2.652 7.267
36 HE2 TYR 7 HE2 TYR 7 -5.772 4.758 3.647
37 HH TYR 7 HH TYR 7 -7.777 4.852 4.715
38 H GLU 8 H GLU 8 -1.343 3.172 3.621
39 HA GLU 8 HA GLU 8 -0.653 3.969 1.626
40 HB2 GLU 8 1HB GLU 8 1.142 2.203 2.344
41 HB3 GLU 8 2HB GLU 8 0.577 1.261 0.985
42 HG2 GLU 8 1HG GLU 8 1.293 4.208 0.631
43 HG3 GLU 8 2HG GLU 8 2.573 3.013 0.707
44 H TYR 9 H TYR 9 -0.787 0.875 0.061
45 HA TYR 9 HA TYR 9 -2.608 2.034 -1.930
46 HB2 TYR 9 1HB TYR 9 -0.526 0.436 -2.228
47 HB3 TYR 9 2HB TYR 9 -1.701 -0.845 -1.922
48 HD1 TYR 9 HD1 TYR 9 -0.745 1.924 -4.194
49 HD2 TYR 9 HD2 TYR 9 -3.391 -1.388 -3.618
50 HE1 TYR 9 HE1 TYR 9 -1.386 2.021 -6.572
51 HE2 TYR 9 HE2 TYR 9 -4.030 -1.284 -6.000
52 HH TYR 9 HH TYR 9 -3.749 -0.225 -8.000
53 H ASN 10 H ASN 10 -2.601 -0.434 0.545
54 HA ASN 10 HA ASN 10 -5.239 -0.383 1.314
55 HB2 ASN 10 1HB ASN 10 -5.112 -1.657 -1.243
56 HB3 ASN 10 2HB ASN 10 -5.336 -2.938 -0.041
57 HD21 ASN 10 1HD2 ASN 10 -8.299 -0.186 -0.719
58 HD22 ASN 10 2HD2 ASN 10 -6.641 0.157 -1.188
59 H LYS 11 H LYS 11 -2.579 -2.593 0.458
60 HA LYS 11 HA LYS 11 -2.751 -3.746 3.200
61 HB2 LYS 11 1HB LYS 11 -2.361 -5.965 2.300
62 HB3 LYS 11 2HB LYS 11 -3.852 -5.265 1.677
63 HG2 LYS 11 1HG LYS 11 -1.544 -4.737 -0.055
64 HG3 LYS 11 2HG LYS 11 -1.841 -6.467 0.188
65 HD2 LYS 11 1HD LYS 11 -4.170 -6.185 -0.508
66 HD3 LYS 11 2HD LYS 11 -3.924 -4.442 -0.709
67 HE2 LYS 11 1HE LYS 11 -2.226 -6.451 -2.196
68 HE3 LYS 11 2HE LYS 11 -3.807 -5.947 -2.813
69 HZ1 LYS 11 1HZ LYS 11 -1.914 -4.544 -3.631
70 HZ2 LYS 11 2HZ LYS 11 -3.071 -3.674 -2.869
71 HZ3 LYS 11 3HZ LYS 11 -1.663 -3.999 -2.099
72 H GLN 12 H GLN 12 -0.825 -1.777 1.852
73 HA GLN 12 HA GLN 12 1.664 -3.314 2.477
74 HB2 GLN 12 1HB GLN 12 1.112 -1.356 0.244
75 HB3 GLN 12 2HB GLN 12 2.737 -1.584 0.892
76 HG2 GLN 12 1HG GLN 12 2.792 -3.029 -0.850
77 HG3 GLN 12 2HG GLN 12 2.332 -4.112 0.465
78 HE21 GLN 12 1HE2 GLN 12 -0.008 -5.265 -1.947
79 HE22 GLN 12 2HE2 GLN 12 1.557 -5.549 -1.211
80 H CYS 13 H CYS 13 3.408 -2.091 3.433
81 HA CYS 13 HA CYS 13 2.447 -0.278 5.432
82 HB2 CYS 13 1HB CYS 13 5.157 -1.137 4.478
83 HB3 CYS 13 2HB CYS 13 5.038 0.308 5.487
84 H LEU 14 H LEU 14 2.532 1.913 5.664
85 HA LEU 14 HA LEU 14 2.783 3.497 3.178
86 HB2 LEU 14 1HB LEU 14 0.833 3.746 4.678
87 HB3 LEU 14 2HB LEU 14 1.900 4.204 5.994
88 HG LEU 14 HG LEU 14 2.413 6.316 4.947
89 HD11 LEU 14 1HD1 LEU 14 1.292 7.041 2.874
90 HD12 LEU 14 2HD1 LEU 14 2.404 5.692 2.577
91 HD13 LEU 14 3HD1 LEU 14 0.647 5.400 2.647
92 HD21 LEU 14 1HD2 LEU 14 0.175 7.299 5.046
93 HD22 LEU 14 2HD2 LEU 14 -0.563 5.695 4.840
94 HD23 LEU 14 3HD2 LEU 14 0.367 6.071 6.312
95 H ILE 15 H ILE 15 5.096 2.587 3.462
96 HA ILE 15 HA ILE 15 7.308 2.849 3.952
97 HB ILE 15 HB ILE 15 7.134 5.666 4.899
98 HG12 ILE 15 1HG1 ILE 15 6.644 5.032 1.969
99 HG13 ILE 15 2HG1 ILE 15 5.391 5.599 3.077
100 HG21 ILE 15 1HG2 ILE 15 9.124 5.903 3.537
101 HG22 ILE 15 2HG2 ILE 15 9.269 4.382 4.426
102 HG23 ILE 15 3HG2 ILE 15 8.806 4.358 2.713
103 HD11 ILE 15 1HD1 ILE 15 6.108 7.486 1.872
104 HD12 ILE 15 2HD1 ILE 15 6.788 7.644 3.507
105 HD13 ILE 15 3HD1 ILE 15 7.823 7.124 2.157
106 H PHE 16 H PHE 16 8.814 3.760 5.887
107 HA PHE 16 HA PHE 16 9.353 3.613 8.105
108 HB2 PHE 16 1HB PHE 16 6.521 4.358 8.800
109 HB3 PHE 16 2HB PHE 16 8.018 4.796 9.625
110 HD1 PHE 16 HD1 PHE 16 5.446 6.078 7.747
111 HD2 PHE 16 HD2 PHE 16 9.718 6.134 7.873
112 HE1 PHE 16 HE1 PHE 16 5.453 8.161 6.434
113 HE2 PHE 16 HE2 PHE 16 9.732 8.189 6.514
114 HZ PHE 16 HZ PHE 16 7.600 9.217 5.799
115 H CYS 17 H CYS 17 8.365 1.220 6.799
116 HA CYS 17 HA CYS 17 6.316 -0.076 8.273
117 HB2 CYS 17 1HB CYS 17 7.415 -0.650 5.938
118 HB3 CYS 17 2HB CYS 17 8.535 -1.625 6.911
119 HC CYS 17 HC CYS 17 7.560 -0.595 10.310
Start of MODEL 13
1 H1 GLY 1 H GLY 1 1.775 0.644 -1.699
2 HA2 GLY 1 1HA GLY 1 2.984 2.412 0.315
3 HA3 GLY 1 2HA GLY 1 2.556 0.791 0.855
4 H GLY 2 H GLY 2 4.894 1.017 1.344
5 HA2 GLY 2 1HA GLY 2 6.457 -0.397 -0.692
6 HA3 GLY 2 2HA GLY 2 7.039 1.232 -0.297
7 H GLY 3 H GLY 3 5.861 -1.732 1.357
8 HA2 GLY 3 1HA GLY 3 8.218 -2.183 2.848
9 HA3 GLY 3 2HA GLY 3 7.105 -1.223 3.850
10 H GLY 4 H GLY 4 6.590 -2.903 5.316
11 HA2 GLY 4 1HA GLY 4 5.771 -5.514 4.437
12 HA3 GLY 4 2HA GLY 4 5.544 -4.826 6.050
13 H ARG 5 H ARG 5 3.465 -4.326 6.668
14 HA ARG 5 HA ARG 5 1.482 -3.782 4.552
15 HB2 ARG 5 1HB ARG 5 -0.094 -5.434 5.402
16 HB3 ARG 5 2HB ARG 5 1.380 -6.187 4.799
17 HG2 ARG 5 1HG ARG 5 1.278 -7.389 6.679
18 HG3 ARG 5 2HG ARG 5 2.024 -5.970 7.428
19 HD2 ARG 5 1HD ARG 5 -0.168 -5.144 8.117
20 HD3 ARG 5 2HD ARG 5 -0.961 -6.506 7.298
21 HE ARG 5 HE ARG 5 0.950 -7.548 9.111
22 HH11 ARG 5 1HH1 ARG 5 -2.144 -5.838 9.251
23 HH12 ARG 5 2HH1 ARG 5 -2.546 -6.541 10.808
24 HH21 ARG 5 1HH2 ARG 5 0.374 -8.378 11.068
25 HH22 ARG 5 2HH2 ARG 5 -1.154 -7.941 11.815
26 H GLY 6 H GLY 6 -0.257 -2.570 5.147
27 HA2 GLY 6 1HA GLY 6 -1.207 -1.780 7.593
28 HA3 GLY 6 2HA GLY 6 0.321 -0.889 7.444
29 H TYR 7 H TYR 7 -0.603 1.165 7.230
30 HA TYR 7 HA TYR 7 -2.695 1.845 5.410
31 HB2 TYR 7 1HB TYR 7 -0.434 3.348 6.736
32 HB3 TYR 7 2HB TYR 7 -1.373 4.125 5.465
33 HD1 TYR 7 HD1 TYR 7 -1.542 2.802 8.916
34 HD2 TYR 7 HD2 TYR 7 -3.678 4.776 5.777
35 HE1 TYR 7 HE1 TYR 7 -3.287 3.485 10.522
36 HE2 TYR 7 HE2 TYR 7 -5.421 5.443 7.385
37 HH TYR 7 HH TYR 7 -6.117 5.426 9.539
38 H GLU 8 H GLU 8 -2.595 2.976 3.474
39 HA GLU 8 HA GLU 8 -1.609 3.821 1.528
40 HB2 GLU 8 1HB GLU 8 0.756 3.229 2.230
41 HB3 GLU 8 2HB GLU 8 0.481 1.625 1.558
42 HG2 GLU 8 1HG GLU 8 -0.266 3.917 -0.229
43 HG3 GLU 8 2HG GLU 8 1.448 3.785 0.117
44 H TYR 9 H TYR 9 -3.501 3.367 0.733
45 HA TYR 9 HA TYR 9 -5.079 2.331 -0.555
46 HB2 TYR 9 1HB TYR 9 -2.926 2.224 -2.011
47 HB3 TYR 9 2HB TYR 9 -2.953 0.501 -1.687
48 HD1 TYR 9 HD1 TYR 9 -4.708 3.329 -3.289
49 HD2 TYR 9 HD2 TYR 9 -4.690 -0.915 -2.738
50 HE1 TYR 9 HE1 TYR 9 -6.349 3.081 -5.112
51 HE2 TYR 9 HE2 TYR 9 -6.335 -1.154 -4.556
52 HH TYR 9 HH TYR 9 -7.603 1.656 -6.350
53 H ASN 10 H ASN 10 -3.746 -0.804 -0.865
54 HA ASN 10 HA ASN 10 -4.899 -1.764 1.688
55 HB2 ASN 10 1HB ASN 10 -5.831 -2.624 -1.083
56 HB3 ASN 10 2HB ASN 10 -6.236 -3.482 0.411
57 HD21 ASN 10 1HD2 ASN 10 -8.455 -0.884 1.584
58 HD22 ASN 10 2HD2 ASN 10 -7.231 -1.996 2.168
59 H LYS 11 H LYS 11 -2.173 -1.614 0.313
60 HA LYS 11 HA LYS 11 -1.804 -4.517 -0.303
61 HB2 LYS 11 1HB LYS 11 -0.482 -2.130 -1.632
62 HB3 LYS 11 2HB LYS 11 -0.182 -3.820 -2.020
63 HG2 LYS 11 1HG LYS 11 -2.804 -2.335 -2.388
64 HG3 LYS 11 2HG LYS 11 -1.642 -2.722 -3.658
65 HD2 LYS 11 1HD LYS 11 -3.163 -4.773 -2.011
66 HD3 LYS 11 2HD LYS 11 -3.608 -4.222 -3.630
67 HE2 LYS 11 1HE LYS 11 -1.430 -5.038 -4.498
68 HE3 LYS 11 2HE LYS 11 -1.029 -5.642 -2.880
69 HZ1 LYS 11 1HZ LYS 11 -3.037 -7.044 -2.989
70 HZ2 LYS 11 2HZ LYS 11 -3.380 -6.500 -4.499
71 HZ3 LYS 11 3HZ LYS 11 -2.034 -7.402 -4.240
72 H GLN 12 H GLN 12 0.246 -1.665 0.480
73 HA GLN 12 HA GLN 12 1.898 -3.473 2.178
74 HB2 GLN 12 1HB GLN 12 2.804 -1.738 -0.135
75 HB3 GLN 12 2HB GLN 12 3.871 -2.061 1.228
76 HG2 GLN 12 1HG GLN 12 4.524 -3.698 -0.191
77 HG3 GLN 12 2HG GLN 12 3.332 -4.565 0.781
78 HE21 GLN 12 1HE2 GLN 12 1.710 -5.642 -2.107
79 HE22 GLN 12 2HE2 GLN 12 2.158 -5.911 -0.432
80 H CYS 13 H CYS 13 3.426 -2.204 3.548
81 HA CYS 13 HA CYS 13 2.013 -0.227 5.056
82 HB2 CYS 13 1HB CYS 13 4.518 -1.651 5.140
83 HB3 CYS 13 2HB CYS 13 4.842 0.065 5.408
84 H LEU 14 H LEU 14 2.394 2.014 5.334
85 HA LEU 14 HA LEU 14 3.071 3.385 2.862
86 HB2 LEU 14 1HB LEU 14 1.150 3.937 4.325
87 HB3 LEU 14 2HB LEU 14 2.263 4.441 5.582
88 HG LEU 14 HG LEU 14 2.929 6.381 4.311
89 HD11 LEU 14 1HD1 LEU 14 2.817 5.471 2.013
90 HD12 LEU 14 2HD1 LEU 14 1.038 5.430 2.127
91 HD13 LEU 14 3HD1 LEU 14 1.902 6.981 2.179
92 HD21 LEU 14 1HD2 LEU 14 0.775 7.540 4.311
93 HD22 LEU 14 2HD2 LEU 14 -0.086 5.984 4.279
94 HD23 LEU 14 3HD2 LEU 14 0.888 6.439 5.700
95 H ILE 15 H ILE 15 5.261 2.116 3.562
96 HA ILE 15 HA ILE 15 7.510 2.350 3.785
97 HB ILE 15 HB ILE 15 7.296 5.359 3.994
98 HG12 ILE 15 1HG1 ILE 15 7.220 3.797 1.387
99 HG13 ILE 15 2HG1 ILE 15 5.799 4.555 2.109
100 HG21 ILE 15 1HG2 ILE 15 9.533 4.272 4.187
101 HG22 ILE 15 2HG2 ILE 15 9.278 3.487 2.614
102 HG23 ILE 15 3HG2 ILE 15 9.419 5.255 2.730
103 HD11 ILE 15 1HD1 ILE 15 6.555 6.018 0.436
104 HD12 ILE 15 2HD1 ILE 15 6.983 6.762 1.993
105 HD13 ILE 15 3HD1 ILE 15 8.233 5.954 1.013
106 H PHE 16 H PHE 16 9.180 2.766 5.416
107 HA PHE 16 HA PHE 16 9.877 2.689 7.591
108 HB2 PHE 16 1HB PHE 16 7.814 4.867 7.999
109 HB3 PHE 16 2HB PHE 16 9.109 4.437 9.117
110 HD1 PHE 16 HD1 PHE 16 11.447 4.981 8.619
111 HD2 PHE 16 HD2 PHE 16 8.291 6.073 5.961
112 HE1 PHE 16 HE1 PHE 16 12.990 6.479 7.413
113 HE2 PHE 16 HE2 PHE 16 9.839 7.522 4.705
114 HZ PHE 16 HZ PHE 16 12.194 7.748 5.441
115 H CYS 17 H CYS 17 8.120 0.656 6.967
116 HA CYS 17 HA CYS 17 5.753 0.511 8.500
117 HB2 CYS 17 1HB CYS 17 6.713 -1.110 6.637
118 HB3 CYS 17 2HB CYS 17 7.419 -1.970 8.022
119 HC CYS 17 HC CYS 17 6.665 0.341 10.753
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.534 -0.417 -1.904
2 HA2 GLY 1 1HA GLY 1 2.880 1.076 -3.053
3 HA3 GLY 1 2HA GLY 1 2.414 2.362 -1.945
4 H GLY 2 H GLY 2 3.855 -0.772 -0.984
5 HA2 GLY 2 1HA GLY 2 6.520 0.322 -0.729
6 HA3 GLY 2 2HA GLY 2 5.658 0.264 0.816
7 H GLY 3 H GLY 3 6.871 -1.301 1.780
8 HA2 GLY 3 1HA GLY 3 6.506 -4.056 0.747
9 HA3 GLY 3 2HA GLY 3 8.152 -3.485 1.058
10 H GLY 4 H GLY 4 5.064 -4.392 2.492
11 HA2 GLY 4 1HA GLY 4 5.787 -5.495 4.849
12 HA3 GLY 4 2HA GLY 4 5.975 -3.761 5.207
13 H ARG 5 H ARG 5 4.163 -3.430 6.549
14 HA ARG 5 HA ARG 5 1.671 -3.225 5.018
15 HB2 ARG 5 1HB ARG 5 0.282 -4.338 6.646
16 HB3 ARG 5 2HB ARG 5 1.493 -5.454 6.020
17 HG2 ARG 5 1HG ARG 5 2.508 -4.180 8.408
18 HG3 ARG 5 2HG ARG 5 0.895 -4.838 8.721
19 HD2 ARG 5 1HD ARG 5 1.616 -7.029 7.850
20 HD3 ARG 5 2HD ARG 5 3.226 -6.375 7.518
21 HE ARG 5 HE ARG 5 2.102 -7.128 10.113
22 HH11 ARG 5 1HH1 ARG 5 4.695 -5.316 8.519
23 HH12 ARG 5 2HH1 ARG 5 5.710 -5.372 9.946
24 HH21 ARG 5 1HH2 ARG 5 3.430 -7.131 11.866
25 HH22 ARG 5 2HH2 ARG 5 5.012 -6.369 11.798
26 H GLY 6 H GLY 6 0.271 -1.618 5.734
27 HA2 GLY 6 1HA GLY 6 -0.377 -0.465 7.945
28 HA3 GLY 6 2HA GLY 6 1.313 0.037 7.983
29 H TYR 7 H TYR 7 -1.827 0.764 6.873
30 HA TYR 7 HA TYR 7 -2.715 2.493 5.695
31 HB2 TYR 7 1HB TYR 7 -0.401 3.583 6.890
32 HB3 TYR 7 2HB TYR 7 -0.396 4.181 5.241
33 HD1 TYR 7 HD1 TYR 7 -2.144 4.194 8.470
34 HD2 TYR 7 HD2 TYR 7 -2.287 5.607 4.434
35 HE1 TYR 7 HE1 TYR 7 -3.860 5.844 9.105
36 HE2 TYR 7 HE2 TYR 7 -3.985 7.275 5.084
37 HH TYR 7 HH TYR 7 -5.186 7.561 8.429
38 H GLU 8 H GLU 8 -1.245 4.025 3.552
39 HA GLU 8 HA GLU 8 -0.430 3.856 1.437
40 HB2 GLU 8 1HB GLU 8 1.280 2.380 2.556
41 HB3 GLU 8 2HB GLU 8 0.328 0.976 2.114
42 HG2 GLU 8 1HG GLU 8 0.922 2.823 -0.164
43 HG3 GLU 8 2HG GLU 8 2.344 2.104 0.586
44 H TYR 9 H TYR 9 -3.003 2.154 2.482
45 HA TYR 9 HA TYR 9 -4.829 1.175 1.469
46 HB2 TYR 9 1HB TYR 9 -4.040 3.182 -0.325
47 HB3 TYR 9 2HB TYR 9 -4.205 1.760 -1.335
48 HD1 TYR 9 HD1 TYR 9 -6.501 0.353 -0.827
49 HD2 TYR 9 HD2 TYR 9 -5.908 4.509 0.019
50 HE1 TYR 9 HE1 TYR 9 -8.931 0.711 -0.870
51 HE2 TYR 9 HE2 TYR 9 -8.348 4.863 -0.064
52 HH TYR 9 HH TYR 9 -10.630 2.195 -0.706
53 H ASN 10 H ASN 10 -4.884 -0.167 -1.106
54 HA ASN 10 HA ASN 10 -4.573 -2.362 -1.713
55 HB2 ASN 10 1HB ASN 10 -2.715 -0.985 -2.761
56 HB3 ASN 10 2HB ASN 10 -1.631 -1.625 -1.530
57 HD21 ASN 10 1HD2 ASN 10 -0.921 -4.161 -3.873
58 HD22 ASN 10 2HD2 ASN 10 -0.328 -2.853 -2.864
59 H LYS 11 H LYS 11 -1.507 -3.011 -0.345
60 HA LYS 11 HA LYS 11 -2.412 -3.641 2.304
61 HB2 LYS 11 1HB LYS 11 -2.054 -6.073 2.248
62 HB3 LYS 11 2HB LYS 11 -3.481 -5.530 1.387
63 HG2 LYS 11 1HG LYS 11 -0.989 -5.958 -0.211
64 HG3 LYS 11 2HG LYS 11 -1.835 -7.379 0.421
65 HD2 LYS 11 1HD LYS 11 -3.938 -6.586 -0.628
66 HD3 LYS 11 2HD LYS 11 -3.064 -5.203 -1.301
67 HE2 LYS 11 1HE LYS 11 -1.534 -6.801 -2.475
68 HE3 LYS 11 2HE LYS 11 -2.571 -8.133 -1.923
69 HZ1 LYS 11 1HZ LYS 11 -4.441 -7.084 -3.062
70 HZ2 LYS 11 2HZ LYS 11 -3.537 -5.789 -3.495
71 HZ3 LYS 11 3HZ LYS 11 -3.227 -7.263 -4.155
72 H GLN 12 H GLN 12 -0.298 -2.070 1.308
73 HA GLN 12 HA GLN 12 1.920 -3.581 2.596
74 HB2 GLN 12 1HB GLN 12 2.199 -1.583 0.328
75 HB3 GLN 12 2HB GLN 12 3.533 -2.243 1.269
76 HG2 GLN 12 1HG GLN 12 3.651 -3.588 -0.524
77 HG3 GLN 12 2HG GLN 12 2.606 -4.559 0.520
78 HE21 GLN 12 1HE2 GLN 12 0.317 -4.864 -2.095
79 HE22 GLN 12 2HE2 GLN 12 1.247 -5.608 -0.806
80 H CYS 13 H CYS 13 3.736 -1.609 2.963
81 HA CYS 13 HA CYS 13 2.373 0.159 4.919
82 HB2 CYS 13 1HB CYS 13 4.744 0.564 5.675
83 HB3 CYS 13 2HB CYS 13 4.231 -1.131 5.796
84 H LEU 14 H LEU 14 2.946 2.378 5.094
85 HA LEU 14 HA LEU 14 3.677 3.589 2.484
86 HB2 LEU 14 1HB LEU 14 1.639 4.113 4.232
87 HB3 LEU 14 2HB LEU 14 2.815 5.326 4.725
88 HG LEU 14 HG LEU 14 1.756 4.971 1.903
89 HD11 LEU 14 1HD1 LEU 14 1.028 7.003 4.044
90 HD12 LEU 14 2HD1 LEU 14 0.421 6.975 2.373
91 HD13 LEU 14 3HD1 LEU 14 0.004 5.658 3.488
92 HD21 LEU 14 1HD2 LEU 14 3.390 7.212 3.148
93 HD22 LEU 14 2HD2 LEU 14 3.961 6.040 1.935
94 HD23 LEU 14 3HD2 LEU 14 2.697 7.209 1.509
95 H ILE 15 H ILE 15 4.483 3.900 5.972
96 HA ILE 15 HA ILE 15 7.170 4.871 5.120
97 HB ILE 15 HB ILE 15 5.510 6.098 7.359
98 HG12 ILE 15 1HG1 ILE 15 6.503 7.433 4.824
99 HG13 ILE 15 2HG1 ILE 15 4.897 6.719 4.955
100 HG21 ILE 15 1HG2 ILE 15 7.914 6.001 7.902
101 HG22 ILE 15 2HG2 ILE 15 8.308 6.764 6.345
102 HG23 ILE 15 3HG2 ILE 15 7.414 7.668 7.588
103 HD11 ILE 15 1HD1 ILE 15 4.715 9.073 5.324
104 HD12 ILE 15 2HD1 ILE 15 4.388 8.230 6.854
105 HD13 ILE 15 3HD1 ILE 15 5.957 9.030 6.593
106 H PHE 16 H PHE 16 5.231 3.768 7.965
107 HA PHE 16 HA PHE 16 7.762 2.881 9.200
108 HB2 PHE 16 1HB PHE 16 4.954 3.158 10.293
109 HB3 PHE 16 2HB PHE 16 6.306 2.476 11.202
110 HD1 PHE 16 HD1 PHE 16 8.051 3.856 12.105
111 HD2 PHE 16 HD2 PHE 16 4.985 5.558 9.667
112 HE1 PHE 16 HE1 PHE 16 8.826 6.114 12.716
113 HE2 PHE 16 HE2 PHE 16 5.773 7.820 10.246
114 HZ PHE 16 HZ PHE 16 7.695 8.106 11.780
115 H CYS 17 H CYS 17 7.805 1.268 7.349
116 HA CYS 17 HA CYS 17 6.021 -0.923 7.213
117 HB2 CYS 17 1HB CYS 17 9.008 -0.824 6.563
118 HB3 CYS 17 2HB CYS 17 7.886 -2.079 5.999
119 HC CYS 17 HC CYS 17 7.624 -1.354 9.628
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.619 1.121 -2.949
2 HA2 GLY 1 1HA GLY 1 2.541 0.197 -0.350
3 HA3 GLY 1 2HA GLY 1 2.828 -0.548 -1.922
4 H GLY 2 H GLY 2 4.910 -0.906 -0.639
5 HA2 GLY 2 1HA GLY 2 7.028 0.432 -1.787
6 HA3 GLY 2 2HA GLY 2 6.676 1.368 -0.328
7 H GLY 3 H GLY 3 5.795 -0.859 1.281
8 HA2 GLY 3 1HA GLY 3 8.177 -2.628 1.383
9 HA3 GLY 3 2HA GLY 3 7.779 -1.655 2.807
10 H GLY 4 H GLY 4 7.071 -3.152 4.263
11 HA2 GLY 4 1HA GLY 4 5.671 -5.519 3.543
12 HA3 GLY 4 2HA GLY 4 5.838 -4.866 5.170
13 H ARG 5 H ARG 5 4.001 -4.092 6.171
14 HA ARG 5 HA ARG 5 1.633 -3.636 4.429
15 HB2 ARG 5 1HB ARG 5 0.253 -5.025 5.767
16 HB3 ARG 5 2HB ARG 5 1.665 -5.960 5.275
17 HG2 ARG 5 1HG ARG 5 2.665 -5.506 7.545
18 HG3 ARG 5 2HG ARG 5 1.122 -4.756 8.005
19 HD2 ARG 5 1HD ARG 5 -0.029 -6.904 7.395
20 HD3 ARG 5 2HD ARG 5 1.560 -7.614 7.083
21 HE ARG 5 HE ARG 5 1.994 -7.714 9.366
22 HH11 ARG 5 1HH1 ARG 5 -1.061 -5.989 8.874
23 HH12 ARG 5 2HH1 ARG 5 -1.464 -6.078 10.581
24 HH21 ARG 5 1HH2 ARG 5 1.399 -7.793 11.478
25 HH22 ARG 5 2HH2 ARG 5 -0.112 -7.076 12.017
26 H GLY 6 H GLY 6 -0.174 -2.533 5.422
27 HA2 GLY 6 1HA GLY 6 -0.601 -1.700 7.889
28 HA3 GLY 6 2HA GLY 6 0.698 -0.590 7.475
29 H TYR 7 H TYR 7 -0.069 0.018 4.775
30 HA TYR 7 HA TYR 7 -2.806 0.924 4.726
31 HB2 TYR 7 1HB TYR 7 -1.387 2.400 6.419
32 HB3 TYR 7 2HB TYR 7 -0.887 3.234 4.968
33 HD1 TYR 7 HD1 TYR 7 -3.593 2.574 7.317
34 HD2 TYR 7 HD2 TYR 7 -2.705 4.328 3.516
35 HE1 TYR 7 HE1 TYR 7 -5.696 3.853 7.411
36 HE2 TYR 7 HE2 TYR 7 -4.797 5.623 3.630
37 HH TYR 7 HH TYR 7 -7.040 5.371 6.392
38 H GLU 8 H GLU 8 -0.897 3.299 3.350
39 HA GLU 8 HA GLU 8 -0.254 3.855 1.271
40 HB2 GLU 8 1HB GLU 8 1.394 1.935 1.965
41 HB3 GLU 8 2HB GLU 8 0.614 1.002 0.706
42 HG2 GLU 8 1HG GLU 8 1.605 3.829 0.128
43 HG3 GLU 8 2HG GLU 8 2.756 2.506 0.176
44 H TYR 9 H TYR 9 -1.004 0.643 0.106
45 HA TYR 9 HA TYR 9 -2.924 1.891 -1.782
46 HB2 TYR 9 1HB TYR 9 -0.994 -0.031 -2.112
47 HB3 TYR 9 2HB TYR 9 -2.427 -1.037 -1.887
48 HD1 TYR 9 HD1 TYR 9 -0.944 1.673 -3.969
49 HD2 TYR 9 HD2 TYR 9 -4.096 -1.200 -3.629
50 HE1 TYR 9 HE1 TYR 9 -1.505 2.003 -6.347
51 HE2 TYR 9 HE2 TYR 9 -4.653 -0.864 -6.010
52 HH TYR 9 HH TYR 9 -2.845 1.412 -8.078
53 H ASN 10 H ASN 10 -2.709 -0.505 0.777
54 HA ASN 10 HA ASN 10 -5.225 -0.112 1.884
55 HB2 ASN 10 1HB ASN 10 -5.556 -1.540 -0.517
56 HB3 ASN 10 2HB ASN 10 -5.581 -2.785 0.737
57 HD21 ASN 10 1HD2 ASN 10 -8.582 0.004 0.481
58 HD22 ASN 10 2HD2 ASN 10 -7.034 0.274 -0.303
59 H LYS 11 H LYS 11 -2.931 -2.691 0.974
60 HA LYS 11 HA LYS 11 -2.824 -3.508 3.851
61 HB2 LYS 11 1HB LYS 11 -2.671 -5.270 1.384
62 HB3 LYS 11 2HB LYS 11 -2.480 -5.826 3.042
63 HG2 LYS 11 1HG LYS 11 -5.006 -4.612 1.877
64 HG3 LYS 11 2HG LYS 11 -4.694 -6.337 2.063
65 HD2 LYS 11 1HD LYS 11 -4.807 -4.362 4.369
66 HD3 LYS 11 2HD LYS 11 -6.157 -5.362 3.825
67 HE2 LYS 11 1HE LYS 11 -4.829 -7.405 4.265
68 HE3 LYS 11 2HE LYS 11 -3.492 -6.400 4.853
69 HZ1 LYS 11 1HZ LYS 11 -6.235 -6.445 6.013
70 HZ2 LYS 11 2HZ LYS 11 -4.920 -7.146 6.697
71 HZ3 LYS 11 3HZ LYS 11 -5.005 -5.510 6.559
72 H GLN 12 H GLN 12 -1.044 -1.705 2.148
73 HA GLN 12 HA GLN 12 1.475 -3.304 2.366
74 HB2 GLN 12 1HB GLN 12 0.607 -1.315 0.256
75 HB3 GLN 12 2HB GLN 12 2.292 -1.790 0.509
76 HG2 GLN 12 1HG GLN 12 1.545 -3.128 -1.242
77 HG3 GLN 12 2HG GLN 12 1.599 -4.181 0.175
78 HE21 GLN 12 1HE2 GLN 12 -1.589 -5.316 -0.720
79 HE22 GLN 12 2HE2 GLN 12 0.093 -5.692 -0.403
80 H CYS 13 H CYS 13 3.451 -2.023 2.730
81 HA CYS 13 HA CYS 13 2.917 -0.196 4.920
82 HB2 CYS 13 1HB CYS 13 4.876 -1.736 4.865
83 HB3 CYS 13 2HB CYS 13 5.552 -0.770 3.533
84 H LEU 14 H LEU 14 2.862 1.958 5.010
85 HA LEU 14 HA LEU 14 3.425 3.480 2.533
86 HB2 LEU 14 1HB LEU 14 1.360 3.628 4.246
87 HB3 LEU 14 2HB LEU 14 2.417 4.798 5.020
88 HG LEU 14 HG LEU 14 1.484 4.930 2.139
89 HD11 LEU 14 1HD1 LEU 14 -0.378 5.141 3.725
90 HD12 LEU 14 2HD1 LEU 14 0.504 6.410 4.606
91 HD13 LEU 14 3HD1 LEU 14 -0.036 6.692 2.936
92 HD21 LEU 14 1HD2 LEU 14 2.232 7.233 2.158
93 HD22 LEU 14 2HD2 LEU 14 2.794 7.075 3.838
94 HD23 LEU 14 3HD2 LEU 14 3.595 6.161 2.534
95 H ILE 15 H ILE 15 4.265 3.641 6.040
96 HA ILE 15 HA ILE 15 6.866 4.836 5.212
97 HB ILE 15 HB ILE 15 5.169 5.844 7.531
98 HG12 ILE 15 1HG1 ILE 15 5.979 7.373 5.043
99 HG13 ILE 15 2HG1 ILE 15 4.438 6.527 5.181
100 HG21 ILE 15 1HG2 ILE 15 7.589 5.918 8.004
101 HG22 ILE 15 2HG2 ILE 15 7.873 6.770 6.471
102 HG23 ILE 15 3HG2 ILE 15 6.952 7.551 7.775
103 HD11 ILE 15 1HD1 ILE 15 5.368 8.823 6.921
104 HD12 ILE 15 2HD1 ILE 15 4.092 8.844 5.685
105 HD13 ILE 15 3HD1 ILE 15 3.871 7.892 7.170
106 H PHE 16 H PHE 16 5.012 3.262 7.881
107 HA PHE 16 HA PHE 16 7.498 3.358 9.472
108 HB2 PHE 16 1HB PHE 16 4.689 2.611 10.345
109 HB3 PHE 16 2HB PHE 16 6.053 3.040 11.381
110 HD1 PHE 16 HD1 PHE 16 3.142 4.235 9.757
111 HD2 PHE 16 HD2 PHE 16 7.044 5.457 11.006
112 HE1 PHE 16 HE1 PHE 16 2.437 6.592 9.643
113 HE2 PHE 16 HE2 PHE 16 6.352 7.818 10.862
114 HZ PHE 16 HZ PHE 16 4.045 8.393 10.184
115 H CYS 17 H CYS 17 7.868 1.484 7.599
116 HA CYS 17 HA CYS 17 6.549 -0.987 7.970
117 HB2 CYS 17 1HB CYS 17 9.351 -0.739 6.801
118 HB3 CYS 17 2HB CYS 17 8.087 -1.914 6.404
119 HC CYS 17 HC CYS 17 8.199 -0.980 10.200
Start of MODEL 16
1 H1 GLY 1 H GLY 1 2.038 0.607 -2.431
2 HA2 GLY 1 1HA GLY 1 3.889 1.918 -0.709
3 HA3 GLY 1 2HA GLY 1 3.090 0.607 0.176
4 H GLY 2 H GLY 2 5.679 0.196 -0.017
5 HA2 GLY 2 1HA GLY 2 5.956 -1.649 -2.350
6 HA3 GLY 2 2HA GLY 2 7.249 -0.573 -1.850
7 H GLY 3 H GLY 3 7.189 -1.014 0.982
8 HA2 GLY 3 1HA GLY 3 8.172 -3.838 0.947
9 HA3 GLY 3 2HA GLY 3 9.060 -2.502 1.675
10 H GLY 4 H GLY 4 6.378 -4.746 2.049
11 HA2 GLY 4 1HA GLY 4 5.940 -5.614 4.251
12 HA3 GLY 4 2HA GLY 4 6.403 -4.061 4.946
13 H ARG 5 H ARG 5 4.488 -3.950 6.164
14 HA ARG 5 HA ARG 5 2.007 -3.532 4.559
15 HB2 ARG 5 1HB ARG 5 2.413 -5.195 7.055
16 HB3 ARG 5 2HB ARG 5 0.832 -4.571 6.590
17 HG2 ARG 5 1HG ARG 5 0.639 -6.533 5.519
18 HG3 ARG 5 2HG ARG 5 1.516 -5.684 4.243
19 HD2 ARG 5 1HD ARG 5 2.868 -7.500 4.340
20 HD3 ARG 5 2HD ARG 5 3.619 -6.607 5.666
21 HE ARG 5 HE ARG 5 2.701 -8.085 7.212
22 HH11 ARG 5 1HH1 ARG 5 1.386 -8.834 4.010
23 HH12 ARG 5 2HH1 ARG 5 0.704 -10.352 4.569
24 HH21 ARG 5 1HH2 ARG 5 1.819 -10.003 7.822
25 HH22 ARG 5 2HH2 ARG 5 0.945 -11.002 6.671
26 H GLY 6 H GLY 6 0.264 -2.454 5.660
27 HA2 GLY 6 1HA GLY 6 0.389 -1.011 8.007
28 HA3 GLY 6 2HA GLY 6 1.199 0.025 6.828
29 H TYR 7 H TYR 7 -0.091 0.414 4.746
30 HA TYR 7 HA TYR 7 -2.991 0.544 5.063
31 HB2 TYR 7 1HB TYR 7 -2.085 2.204 6.732
32 HB3 TYR 7 2HB TYR 7 -1.387 3.095 5.377
33 HD1 TYR 7 HD1 TYR 7 -4.477 2.286 7.184
34 HD2 TYR 7 HD2 TYR 7 -2.872 4.152 3.696
35 HE1 TYR 7 HE1 TYR 7 -6.637 3.411 6.796
36 HE2 TYR 7 HE2 TYR 7 -5.026 5.324 3.331
37 HH TYR 7 HH TYR 7 -7.837 4.813 5.456
38 H GLU 8 H GLU 8 -0.035 1.429 3.388
39 HA GLU 8 HA GLU 8 -1.015 3.159 1.430
40 HB2 GLU 8 1HB GLU 8 1.397 2.560 2.001
41 HB3 GLU 8 2HB GLU 8 1.207 1.093 1.061
42 HG2 GLU 8 1HG GLU 8 0.549 3.764 -0.221
43 HG3 GLU 8 2HG GLU 8 2.239 3.329 -0.009
44 H TYR 9 H TYR 9 -2.230 3.096 -0.160
45 HA TYR 9 HA TYR 9 -3.759 2.463 -1.673
46 HB2 TYR 9 1HB TYR 9 -1.790 1.366 -2.764
47 HB3 TYR 9 2HB TYR 9 -2.271 -0.153 -2.003
48 HD1 TYR 9 HD1 TYR 9 -3.448 2.543 -4.311
49 HD2 TYR 9 HD2 TYR 9 -3.952 -1.505 -3.028
50 HE1 TYR 9 HE1 TYR 9 -5.038 2.155 -6.157
51 HE2 TYR 9 HE2 TYR 9 -5.534 -1.892 -4.884
52 HH TYR 9 HH TYR 9 -6.584 -1.011 -6.696
53 H ASN 10 H ASN 10 -2.970 -0.344 0.335
54 HA ASN 10 HA ASN 10 -5.800 -0.572 1.142
55 HB2 ASN 10 1HB ASN 10 -4.573 -2.278 -0.863
56 HB3 ASN 10 2HB ASN 10 -4.987 -3.237 0.567
57 HD21 ASN 10 1HD2 ASN 10 -7.867 -1.962 -1.965
58 HD22 ASN 10 2HD2 ASN 10 -6.186 -1.513 -2.187
59 H LYS 11 H LYS 11 -2.692 -2.371 1.225
60 HA LYS 11 HA LYS 11 -2.732 -2.236 4.189
61 HB2 LYS 11 1HB LYS 11 -2.577 -4.798 2.565
62 HB3 LYS 11 2HB LYS 11 -2.273 -4.694 4.296
63 HG2 LYS 11 1HG LYS 11 -4.925 -4.026 2.985
64 HG3 LYS 11 2HG LYS 11 -4.506 -5.584 3.710
65 HD2 LYS 11 1HD LYS 11 -4.132 -4.462 5.892
66 HD3 LYS 11 2HD LYS 11 -4.634 -2.922 5.167
67 HE2 LYS 11 1HE LYS 11 -6.831 -3.903 4.610
68 HE3 LYS 11 2HE LYS 11 -6.343 -5.428 5.375
69 HZ1 LYS 11 1HZ LYS 11 -7.561 -3.995 6.943
70 HZ2 LYS 11 2HZ LYS 11 -6.014 -4.188 7.465
71 HZ3 LYS 11 3HZ LYS 11 -6.474 -2.785 6.743
72 H GLN 12 H GLN 12 -0.873 -1.467 1.673
73 HA GLN 12 HA GLN 12 1.533 -3.006 2.402
74 HB2 GLN 12 1HB GLN 12 0.989 -0.866 0.329
75 HB3 GLN 12 2HB GLN 12 2.572 -1.615 0.582
76 HG2 GLN 12 1HG GLN 12 1.665 -3.803 0.031
77 HG3 GLN 12 2HG GLN 12 0.050 -3.099 -0.165
78 HE21 GLN 12 1HE2 GLN 12 2.481 -3.234 -3.307
79 HE22 GLN 12 2HE2 GLN 12 2.594 -4.245 -1.878
80 H CYS 13 H CYS 13 3.653 -1.745 2.623
81 HA CYS 13 HA CYS 13 3.439 -0.096 4.962
82 HB2 CYS 13 1HB CYS 13 5.517 -1.312 4.485
83 HB3 CYS 13 2HB CYS 13 5.755 -0.356 3.007
84 H LEU 14 H LEU 14 2.887 1.963 5.192
85 HA LEU 14 HA LEU 14 3.021 3.747 2.830
86 HB2 LEU 14 1HB LEU 14 0.935 3.567 4.201
87 HB3 LEU 14 2HB LEU 14 1.818 4.227 5.571
88 HG LEU 14 HG LEU 14 2.141 6.345 4.342
89 HD11 LEU 14 1HD1 LEU 14 0.789 6.777 2.310
90 HD12 LEU 14 2HD1 LEU 14 2.056 5.570 2.023
91 HD13 LEU 14 3HD1 LEU 14 0.364 5.052 2.236
92 HD21 LEU 14 1HD2 LEU 14 -0.194 7.070 4.527
93 HD22 LEU 14 2HD2 LEU 14 -0.739 5.378 4.494
94 HD23 LEU 14 3HD2 LEU 14 0.229 5.979 5.863
95 H ILE 15 H ILE 15 4.155 3.625 6.239
96 HA ILE 15 HA ILE 15 6.517 5.161 5.387
97 HB ILE 15 HB ILE 15 4.847 6.075 7.768
98 HG12 ILE 15 1HG1 ILE 15 5.474 7.602 5.221
99 HG13 ILE 15 2HG1 ILE 15 3.959 6.741 5.498
100 HG21 ILE 15 1HG2 ILE 15 7.459 7.148 6.617
101 HG22 ILE 15 2HG2 ILE 15 6.554 7.852 7.977
102 HG23 ILE 15 3HG2 ILE 15 7.285 6.251 8.142
103 HD11 ILE 15 1HD1 ILE 15 3.587 9.043 5.958
104 HD12 ILE 15 2HD1 ILE 15 3.547 8.161 7.501
105 HD13 ILE 15 3HD1 ILE 15 4.981 9.121 7.056
106 H PHE 16 H PHE 16 4.876 3.751 8.290
107 HA PHE 16 HA PHE 16 7.570 3.048 9.305
108 HB2 PHE 16 1HB PHE 16 4.856 3.079 10.653
109 HB3 PHE 16 2HB PHE 16 6.353 2.543 11.421
110 HD1 PHE 16 HD1 PHE 16 8.020 4.108 12.170
111 HD2 PHE 16 HD2 PHE 16 4.564 5.462 10.059
112 HE1 PHE 16 HE1 PHE 16 8.554 6.433 12.797
113 HE2 PHE 16 HE2 PHE 16 5.117 7.793 10.635
114 HZ PHE 16 HZ PHE 16 7.108 8.286 12.023
115 H CYS 17 H CYS 17 7.842 1.323 7.709
116 HA CYS 17 HA CYS 17 5.941 -0.709 7.301
117 HB2 CYS 17 1HB CYS 17 8.949 -1.138 7.033
118 HB3 CYS 17 2HB CYS 17 7.645 -1.912 6.120
119 HC CYS 17 HC CYS 17 6.827 -1.346 9.881
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.381 0.985 -2.086
2 HA2 GLY 1 1HA GLY 1 4.225 1.936 -0.220
3 HA3 GLY 1 2HA GLY 1 3.147 0.836 0.668
4 H GLY 2 H GLY 2 5.877 0.135 0.331
5 HA2 GLY 2 1HA GLY 2 5.539 -2.287 -1.281
6 HA3 GLY 2 2HA GLY 2 6.685 -1.127 -1.934
7 H GLY 3 H GLY 3 6.335 -1.715 1.549
8 HA2 GLY 3 1HA GLY 3 8.589 -3.585 1.573
9 HA3 GLY 3 2HA GLY 3 8.964 -1.967 2.178
10 H GLY 4 H GLY 4 5.855 -3.642 2.532
11 HA2 GLY 4 1HA GLY 4 5.921 -4.887 4.924
12 HA3 GLY 4 2HA GLY 4 5.985 -3.186 5.427
13 H ARG 5 H ARG 5 3.879 -3.874 6.471
14 HA ARG 5 HA ARG 5 1.635 -3.721 4.506
15 HB2 ARG 5 1HB ARG 5 0.352 -5.157 5.912
16 HB3 ARG 5 2HB ARG 5 1.911 -5.928 5.615
17 HG2 ARG 5 1HG ARG 5 2.682 -5.116 7.858
18 HG3 ARG 5 2HG ARG 5 1.044 -4.498 8.147
19 HD2 ARG 5 1HD ARG 5 0.166 -6.812 7.765
20 HD3 ARG 5 2HD ARG 5 1.835 -7.387 7.637
21 HE ARG 5 HE ARG 5 0.393 -6.592 10.058
22 HH11 ARG 5 1HH1 ARG 5 3.594 -7.276 8.702
23 HH12 ARG 5 2HH1 ARG 5 4.299 -7.481 10.297
24 HH21 ARG 5 1HH2 ARG 5 1.348 -6.929 12.009
25 HH22 ARG 5 2HH2 ARG 5 3.056 -7.319 12.120
26 H GLY 6 H GLY 6 -0.445 -2.920 5.479
27 HA2 GLY 6 1HA GLY 6 -1.009 -1.754 7.773
28 HA3 GLY 6 2HA GLY 6 0.125 -0.552 7.167
29 H TYR 7 H TYR 7 -0.420 0.479 5.049
30 HA TYR 7 HA TYR 7 -3.307 0.622 4.483
31 HB2 TYR 7 1HB TYR 7 -2.586 2.153 6.464
32 HB3 TYR 7 2HB TYR 7 -1.874 3.178 5.234
33 HD1 TYR 7 HD1 TYR 7 -4.948 1.972 6.787
34 HD2 TYR 7 HD2 TYR 7 -3.418 4.208 3.475
35 HE1 TYR 7 HE1 TYR 7 -7.168 2.985 6.439
36 HE2 TYR 7 HE2 TYR 7 -5.634 5.232 3.147
37 HH TYR 7 HH TYR 7 -8.419 4.442 5.228
38 H GLU 8 H GLU 8 -1.457 3.374 3.630
39 HA GLU 8 HA GLU 8 -0.557 4.178 1.736
40 HB2 GLU 8 1HB GLU 8 1.105 2.312 2.324
41 HB3 GLU 8 2HB GLU 8 0.364 1.363 1.046
42 HG2 GLU 8 1HG GLU 8 1.060 4.122 0.189
43 HG3 GLU 8 2HG GLU 8 2.457 3.213 0.744
44 H TYR 9 H TYR 9 -1.610 1.029 0.527
45 HA TYR 9 HA TYR 9 -3.574 2.407 -1.237
46 HB2 TYR 9 1HB TYR 9 -1.707 2.113 -2.705
47 HB3 TYR 9 2HB TYR 9 -1.391 0.489 -2.104
48 HD1 TYR 9 HD1 TYR 9 -2.125 -1.325 -3.363
49 HD2 TYR 9 HD2 TYR 9 -4.124 2.428 -3.822
50 HE1 TYR 9 HE1 TYR 9 -3.565 -2.305 -5.110
51 HE2 TYR 9 HE2 TYR 9 -5.559 1.444 -5.572
52 HH TYR 9 HH TYR 9 -6.100 -0.416 -6.757
53 H ASN 10 H ASN 10 -2.270 -0.885 -0.600
54 HA ASN 10 HA ASN 10 -4.927 -1.656 0.477
55 HB2 ASN 10 1HB ASN 10 -4.818 -2.197 -1.983
56 HB3 ASN 10 2HB ASN 10 -3.471 -3.291 -1.630
57 HD21 ASN 10 1HD2 ASN 10 -5.478 -5.872 -0.346
58 HD22 ASN 10 2HD2 ASN 10 -3.856 -5.204 -0.444
59 H LYS 11 H LYS 11 -3.882 -1.603 2.482
60 HA LYS 11 HA LYS 11 -2.697 -2.409 4.261
61 HB2 LYS 11 1HB LYS 11 -2.907 -5.051 2.783
62 HB3 LYS 11 2HB LYS 11 -2.435 -4.830 4.469
63 HG2 LYS 11 1HG LYS 11 -4.750 -3.597 4.663
64 HG3 LYS 11 2HG LYS 11 -5.145 -4.547 3.219
65 HD2 LYS 11 1HD LYS 11 -4.084 -5.658 5.847
66 HD3 LYS 11 2HD LYS 11 -5.785 -5.649 5.363
67 HE2 LYS 11 1HE LYS 11 -5.245 -7.081 3.423
68 HE3 LYS 11 2HE LYS 11 -3.536 -7.079 3.893
69 HZ1 LYS 11 1HZ LYS 11 -5.765 -8.111 5.579
70 HZ2 LYS 11 2HZ LYS 11 -4.689 -9.045 4.768
71 HZ3 LYS 11 3HZ LYS 11 -4.182 -8.107 6.016
72 H GLN 12 H GLN 12 -1.079 -1.149 2.420
73 HA GLN 12 HA GLN 12 1.441 -2.763 2.590
74 HB2 GLN 12 1HB GLN 12 0.572 -0.662 0.584
75 HB3 GLN 12 2HB GLN 12 2.243 -1.224 0.751
76 HG2 GLN 12 1HG GLN 12 1.655 -3.447 0.112
77 HG3 GLN 12 2HG GLN 12 -0.073 -3.069 0.180
78 HE21 GLN 12 1HE2 GLN 12 1.564 -2.844 -3.341
79 HE22 GLN 12 2HE2 GLN 12 1.907 -3.963 -2.035
80 H CYS 13 H CYS 13 3.374 -1.489 3.106
81 HA CYS 13 HA CYS 13 2.793 0.140 5.385
82 HB2 CYS 13 1HB CYS 13 5.189 0.526 5.527
83 HB3 CYS 13 2HB CYS 13 4.855 -1.174 5.195
84 H LEU 14 H LEU 14 2.472 2.232 5.679
85 HA LEU 14 HA LEU 14 2.885 4.073 3.380
86 HB2 LEU 14 1HB LEU 14 0.691 4.023 4.533
87 HB3 LEU 14 2HB LEU 14 1.482 4.458 6.045
88 HG LEU 14 HG LEU 14 2.115 6.642 5.108
89 HD11 LEU 14 1HD1 LEU 14 2.230 6.114 2.714
90 HD12 LEU 14 2HD1 LEU 14 0.480 5.781 2.690
91 HD13 LEU 14 3HD1 LEU 14 1.074 7.425 3.009
92 HD21 LEU 14 1HD2 LEU 14 0.022 6.312 6.367
93 HD22 LEU 14 2HD2 LEU 14 -0.158 7.568 5.126
94 HD23 LEU 14 3HD2 LEU 14 -0.835 5.949 4.849
95 H ILE 15 H ILE 15 3.805 3.551 6.770
96 HA ILE 15 HA ILE 15 6.024 5.521 6.389
97 HB ILE 15 HB ILE 15 4.468 4.957 8.947
98 HG12 ILE 15 1HG1 ILE 15 4.678 7.567 7.417
99 HG13 ILE 15 2HG1 ILE 15 3.365 6.418 7.159
100 HG21 ILE 15 1HG2 ILE 15 6.852 5.350 9.397
101 HG22 ILE 15 2HG2 ILE 15 6.807 6.836 8.423
102 HG23 ILE 15 3HG2 ILE 15 5.886 6.729 9.942
103 HD11 ILE 15 1HD1 ILE 15 2.592 8.118 8.643
104 HD12 ILE 15 2HD1 ILE 15 2.755 6.606 9.563
105 HD13 ILE 15 3HD1 ILE 15 3.979 7.889 9.730
106 H PHE 16 H PHE 16 4.919 2.596 8.165
107 HA PHE 16 HA PHE 16 7.700 2.072 8.959
108 HB2 PHE 16 1HB PHE 16 5.094 0.681 9.629
109 HB3 PHE 16 2HB PHE 16 6.678 0.166 10.215
110 HD1 PHE 16 HD1 PHE 16 7.798 1.320 11.987
111 HD2 PHE 16 HD2 PHE 16 4.172 2.881 10.356
112 HE1 PHE 16 HE1 PHE 16 7.689 2.968 13.818
113 HE2 PHE 16 HE2 PHE 16 4.081 4.564 12.152
114 HZ PHE 16 HZ PHE 16 5.836 4.607 13.898
115 H CYS 17 H CYS 17 8.473 1.749 6.786
116 HA CYS 17 HA CYS 17 7.638 -0.787 5.491
117 HB2 CYS 17 1HB CYS 17 9.436 1.487 4.534
118 HB3 CYS 17 2HB CYS 17 9.090 0.024 3.596
119 HC CYS 17 HC CYS 17 9.579 -1.931 6.365
Start of MODEL 18
1 H1 GLY 1 H GLY 1 2.931 0.146 -1.377
2 HA2 GLY 1 1HA GLY 1 4.060 2.347 0.050
3 HA3 GLY 1 2HA GLY 1 3.919 0.941 1.113
4 H GLY 2 H GLY 2 4.452 -1.139 -0.753
5 HA2 GLY 2 1HA GLY 2 6.156 -1.572 -2.458
6 HA3 GLY 2 2HA GLY 2 7.217 -0.441 -1.633
7 H GLY 3 H GLY 3 6.609 -1.555 1.079
8 HA2 GLY 3 1HA GLY 3 7.408 -4.330 1.023
9 HA3 GLY 3 2HA GLY 3 8.791 -3.264 1.276
10 H GLY 4 H GLY 4 5.605 -4.190 2.546
11 HA2 GLY 4 1HA GLY 4 6.050 -4.630 5.141
12 HA3 GLY 4 2HA GLY 4 6.161 -2.858 5.114
13 H ARG 5 H ARG 5 4.218 -3.300 6.647
14 HA ARG 5 HA ARG 5 1.755 -3.096 5.002
15 HB2 ARG 5 1HB ARG 5 2.240 -5.056 7.253
16 HB3 ARG 5 2HB ARG 5 0.628 -4.432 6.913
17 HG2 ARG 5 1HG ARG 5 0.484 -6.250 5.600
18 HG3 ARG 5 2HG ARG 5 1.256 -5.180 4.424
19 HD2 ARG 5 1HD ARG 5 3.482 -6.102 5.168
20 HD3 ARG 5 2HD ARG 5 2.605 -7.282 6.152
21 HE ARG 5 HE ARG 5 2.904 -7.225 3.240
22 HH11 ARG 5 1HH1 ARG 5 1.038 -8.632 5.903
23 HH12 ARG 5 2HH1 ARG 5 0.476 -9.956 4.897
24 HH21 ARG 5 1HH2 ARG 5 2.166 -8.923 2.065
25 HH22 ARG 5 2HH2 ARG 5 1.101 -10.122 2.782
26 H GLY 6 H GLY 6 0.041 -1.992 5.920
27 HA2 GLY 6 1HA GLY 6 -0.672 -0.876 8.132
28 HA3 GLY 6 2HA GLY 6 0.914 -0.097 8.047
29 H TYR 7 H TYR 7 -2.233 -0.409 6.484
30 HA TYR 7 HA TYR 7 -3.487 1.019 5.289
31 HB2 TYR 7 1HB TYR 7 -2.161 2.649 7.007
32 HB3 TYR 7 2HB TYR 7 -1.778 3.418 5.479
33 HD1 TYR 7 HD1 TYR 7 -4.315 2.806 7.981
34 HD2 TYR 7 HD2 TYR 7 -3.745 4.058 3.929
35 HE1 TYR 7 HE1 TYR 7 -6.559 3.824 7.976
36 HE2 TYR 7 HE2 TYR 7 -5.976 5.107 3.945
37 HH TYR 7 HH TYR 7 -8.096 5.018 6.813
38 H GLU 8 H GLU 8 -1.355 3.253 3.904
39 HA GLU 8 HA GLU 8 -0.747 3.570 1.733
40 HB2 GLU 8 1HB GLU 8 0.767 1.524 2.629
41 HB3 GLU 8 2HB GLU 8 -0.083 0.653 1.367
42 HG2 GLU 8 1HG GLU 8 0.777 3.128 0.189
43 HG3 GLU 8 2HG GLU 8 2.127 2.568 1.163
44 H TYR 9 H TYR 9 -0.802 1.901 -0.526
45 HA TYR 9 HA TYR 9 -3.489 2.457 -1.382
46 HB2 TYR 9 1HB TYR 9 -1.321 2.526 -2.715
47 HB3 TYR 9 2HB TYR 9 -1.362 0.766 -2.743
48 HD1 TYR 9 HD1 TYR 9 -3.090 3.836 -3.923
49 HD2 TYR 9 HD2 TYR 9 -2.836 -0.423 -4.240
50 HE1 TYR 9 HE1 TYR 9 -4.405 3.909 -6.007
51 HE2 TYR 9 HE2 TYR 9 -4.156 -0.343 -6.324
52 HH TYR 9 HH TYR 9 -5.299 2.729 -7.729
53 H ASN 10 H ASN 10 -1.742 -0.551 -0.613
54 HA ASN 10 HA ASN 10 -4.363 -1.954 -0.553
55 HB2 ASN 10 1HB ASN 10 -3.089 -2.225 -2.775
56 HB3 ASN 10 2HB ASN 10 -1.946 -3.222 -1.859
57 HD21 ASN 10 1HD2 ASN 10 -5.517 -4.685 -3.078
58 HD22 ASN 10 2HD2 ASN 10 -4.990 -3.052 -3.437
59 H LYS 11 H LYS 11 -3.583 -1.256 1.715
60 HA LYS 11 HA LYS 11 -3.050 -1.901 3.814
61 HB2 LYS 11 1HB LYS 11 -3.012 -4.715 2.685
62 HB3 LYS 11 2HB LYS 11 -3.143 -4.278 4.386
63 HG2 LYS 11 1HG LYS 11 -5.193 -3.640 2.239
64 HG3 LYS 11 2HG LYS 11 -5.295 -4.959 3.412
65 HD2 LYS 11 1HD LYS 11 -5.258 -3.288 5.258
66 HD3 LYS 11 2HD LYS 11 -5.280 -1.986 4.054
67 HE2 LYS 11 1HE LYS 11 -7.408 -4.136 4.311
68 HE3 LYS 11 2HE LYS 11 -7.519 -2.522 5.028
69 HZ1 LYS 11 1HZ LYS 11 -7.208 -3.061 2.118
70 HZ2 LYS 11 2HZ LYS 11 -8.611 -2.606 2.840
71 HZ3 LYS 11 3HZ LYS 11 -7.336 -1.571 2.792
72 H GLN 12 H GLN 12 -0.881 -1.640 1.651
73 HA GLN 12 HA GLN 12 1.382 -3.052 2.897
74 HB2 GLN 12 1HB GLN 12 1.119 -1.078 0.616
75 HB3 GLN 12 2HB GLN 12 2.683 -1.679 1.187
76 HG2 GLN 12 1HG GLN 12 2.057 -3.958 0.652
77 HG3 GLN 12 2HG GLN 12 0.443 -3.420 0.155
78 HE21 GLN 12 1HE2 GLN 12 1.735 -3.407 -3.121
79 HE22 GLN 12 2HE2 GLN 12 0.676 -4.197 -1.968
80 H CYS 13 H CYS 13 3.383 -1.245 2.904
81 HA CYS 13 HA CYS 13 2.888 0.172 5.370
82 HB2 CYS 13 1HB CYS 13 5.304 0.989 4.760
83 HB3 CYS 13 2HB CYS 13 5.022 -0.695 5.229
84 H LEU 14 H LEU 14 1.587 2.034 5.243
85 HA LEU 14 HA LEU 14 2.383 4.222 3.509
86 HB2 LEU 14 1HB LEU 14 0.156 3.962 4.627
87 HB3 LEU 14 2HB LEU 14 0.930 4.282 6.173
88 HG LEU 14 HG LEU 14 1.499 6.564 5.417
89 HD11 LEU 14 1HD1 LEU 14 1.647 6.261 3.004
90 HD12 LEU 14 2HD1 LEU 14 -0.065 5.775 2.923
91 HD13 LEU 14 3HD1 LEU 14 0.375 7.440 3.364
92 HD21 LEU 14 1HD2 LEU 14 -0.801 7.410 5.508
93 HD22 LEU 14 2HD2 LEU 14 -1.429 5.805 5.073
94 HD23 LEU 14 3HD2 LEU 14 -0.599 6.049 6.631
95 H ILE 15 H ILE 15 3.236 3.128 6.766
96 HA ILE 15 HA ILE 15 5.342 5.256 6.854
97 HB ILE 15 HB ILE 15 3.911 3.984 9.225
98 HG12 ILE 15 1HG1 ILE 15 3.716 6.866 8.304
99 HG13 ILE 15 2HG1 ILE 15 2.546 5.634 7.826
100 HG21 ILE 15 1HG2 ILE 15 5.139 5.667 10.560
101 HG22 ILE 15 2HG2 ILE 15 6.255 4.602 9.696
102 HG23 ILE 15 3HG2 ILE 15 5.952 6.245 9.088
103 HD11 ILE 15 1HD1 ILE 15 1.651 6.842 9.686
104 HD12 ILE 15 2HD1 ILE 15 2.056 5.195 10.223
105 HD13 ILE 15 3HD1 ILE 15 3.116 6.556 10.651
106 H PHE 16 H PHE 16 4.473 1.924 7.877
107 HA PHE 16 HA PHE 16 7.228 1.574 8.866
108 HB2 PHE 16 1HB PHE 16 4.875 -0.327 9.080
109 HB3 PHE 16 2HB PHE 16 6.356 -0.333 10.043
110 HD1 PHE 16 HD1 PHE 16 2.976 0.589 10.003
111 HD2 PHE 16 HD2 PHE 16 6.785 1.990 11.347
112 HE1 PHE 16 HE1 PHE 16 1.856 2.115 11.581
113 HE2 PHE 16 HE2 PHE 16 5.668 3.545 12.897
114 HZ PHE 16 HZ PHE 16 3.200 3.610 13.023
115 H CYS 17 H CYS 17 8.218 1.552 6.767
116 HA CYS 17 HA CYS 17 7.445 -0.733 5.007
117 HB2 CYS 17 1HB CYS 17 7.179 1.911 4.438
118 HB3 CYS 17 2HB CYS 17 8.855 1.685 3.919
119 HC CYS 17 HC CYS 17 9.727 -1.475 4.830
Start of MODEL 19
1 H1 GLY 1 H GLY 1 2.031 0.527 -2.817
2 HA2 GLY 1 1HA GLY 1 3.583 2.167 -3.243
3 HA3 GLY 1 2HA GLY 1 2.987 3.101 -1.878
4 H GLY 2 H GLY 2 4.130 -0.253 -1.452
5 HA2 GLY 2 1HA GLY 2 6.845 0.396 -0.910
6 HA3 GLY 2 2HA GLY 2 5.915 0.496 0.587
7 H GLY 3 H GLY 3 6.613 -1.231 1.692
8 HA2 GLY 3 1HA GLY 3 5.881 -3.882 0.661
9 HA3 GLY 3 2HA GLY 3 7.609 -3.624 0.970
10 H GLY 4 H GLY 4 5.256 -5.223 2.279
11 HA2 GLY 4 1HA GLY 4 5.264 -5.945 4.606
12 HA3 GLY 4 2HA GLY 4 5.757 -4.301 5.079
13 H ARG 5 H ARG 5 3.912 -3.849 6.402
14 HA ARG 5 HA ARG 5 1.512 -3.241 4.804
15 HB2 ARG 5 1HB ARG 5 -0.020 -4.277 6.356
16 HB3 ARG 5 2HB ARG 5 1.076 -5.473 5.678
17 HG2 ARG 5 1HG ARG 5 2.077 -4.383 8.204
18 HG3 ARG 5 2HG ARG 5 0.464 -5.086 8.371
19 HD2 ARG 5 1HD ARG 5 2.821 -6.501 7.085
20 HD3 ARG 5 2HD ARG 5 2.360 -6.678 8.787
21 HE ARG 5 HE ARG 5 0.071 -7.221 7.238
22 HH11 ARG 5 1HH1 ARG 5 3.245 -8.684 7.790
23 HH12 ARG 5 2HH1 ARG 5 2.656 -10.289 7.391
24 HH21 ARG 5 1HH2 ARG 5 -0.590 -9.274 6.773
25 HH22 ARG 5 2HH2 ARG 5 0.533 -10.622 6.864
26 H GLY 6 H GLY 6 0.215 -1.609 5.578
27 HA2 GLY 6 1HA GLY 6 -0.193 -0.327 7.829
28 HA3 GLY 6 2HA GLY 6 1.515 0.091 7.633
29 H TYR 7 H TYR 7 -1.738 0.610 6.499
30 HA TYR 7 HA TYR 7 -2.697 2.256 5.277
31 HB2 TYR 7 1HB TYR 7 -0.624 3.523 6.539
32 HB3 TYR 7 2HB TYR 7 -0.315 3.958 4.872
33 HD1 TYR 7 HD1 TYR 7 -2.541 4.334 7.747
34 HD2 TYR 7 HD2 TYR 7 -2.083 5.243 3.591
35 HE1 TYR 7 HE1 TYR 7 -4.329 6.022 7.914
36 HE2 TYR 7 HE2 TYR 7 -3.854 6.946 3.772
37 HH TYR 7 HH TYR 7 -5.351 7.998 5.133
38 H GLU 8 H GLU 8 -0.920 3.791 3.207
39 HA GLU 8 HA GLU 8 -0.218 3.644 1.080
40 HB2 GLU 8 1HB GLU 8 1.226 1.763 2.282
41 HB3 GLU 8 2HB GLU 8 0.276 0.666 1.298
42 HG2 GLU 8 1HG GLU 8 1.432 3.036 -0.153
43 HG3 GLU 8 2HG GLU 8 2.610 1.903 0.499
44 H TYR 9 H TYR 9 -2.915 2.085 2.026
45 HA TYR 9 HA TYR 9 -4.609 0.865 1.080
46 HB2 TYR 9 1HB TYR 9 -3.556 1.719 -1.636
47 HB3 TYR 9 2HB TYR 9 -5.128 1.012 -1.282
48 HD1 TYR 9 HD1 TYR 9 -6.848 2.338 -0.023
49 HD2 TYR 9 HD2 TYR 9 -3.162 4.082 -1.316
50 HE1 TYR 9 HE1 TYR 9 -7.816 4.591 0.242
51 HE2 TYR 9 HE2 TYR 9 -4.136 6.332 -1.049
52 HH TYR 9 HH TYR 9 -7.497 6.831 0.030
53 H ASN 10 H ASN 10 -4.856 -1.027 -0.713
54 HA ASN 10 HA ASN 10 -4.181 -3.113 -1.374
55 HB2 ASN 10 1HB ASN 10 -2.687 -1.480 -2.711
56 HB3 ASN 10 2HB ASN 10 -1.389 -1.986 -1.621
57 HD21 ASN 10 1HD2 ASN 10 -0.677 -4.504 -3.948
58 HD22 ASN 10 2HD2 ASN 10 -0.144 -3.056 -3.110
59 H LYS 11 H LYS 11 -3.787 -2.337 1.527
60 HA LYS 11 HA LYS 11 -2.970 -3.223 3.473
61 HB2 LYS 11 1HB LYS 11 -2.542 -5.719 1.796
62 HB3 LYS 11 2HB LYS 11 -2.585 -5.650 3.553
63 HG2 LYS 11 1HG LYS 11 -4.936 -5.000 1.745
64 HG3 LYS 11 2HG LYS 11 -4.643 -6.557 2.533
65 HD2 LYS 11 1HD LYS 11 -4.721 -5.424 4.749
66 HD3 LYS 11 2HD LYS 11 -5.137 -3.906 3.928
67 HE2 LYS 11 1HE LYS 11 -7.145 -4.991 2.967
68 HE3 LYS 11 2HE LYS 11 -6.731 -6.491 3.810
69 HZ1 LYS 11 1HZ LYS 11 -7.295 -3.888 5.149
70 HZ2 LYS 11 2HZ LYS 11 -8.324 -5.166 5.101
71 HZ3 LYS 11 3HZ LYS 11 -6.912 -5.287 5.925
72 H GLN 12 H GLN 12 -1.043 -1.938 1.581
73 HA GLN 12 HA GLN 12 1.441 -3.424 2.247
74 HB2 GLN 12 1HB GLN 12 0.470 -2.059 -0.056
75 HB3 GLN 12 2HB GLN 12 1.848 -1.134 0.545
76 HG2 GLN 12 1HG GLN 12 3.271 -3.102 0.425
77 HG3 GLN 12 2HG GLN 12 1.887 -4.106 -0.045
78 HE21 GLN 12 1HE2 GLN 12 2.529 -3.579 -3.419
79 HE22 GLN 12 2HE2 GLN 12 1.976 -4.631 -2.129
80 H CYS 13 H CYS 13 3.405 -1.824 2.490
81 HA CYS 13 HA CYS 13 2.731 -0.109 4.806
82 HB2 CYS 13 1HB CYS 13 4.559 -1.738 5.042
83 HB3 CYS 13 2HB CYS 13 5.364 -1.044 3.625
84 H LEU 14 H LEU 14 2.623 2.020 4.741
85 HA LEU 14 HA LEU 14 4.085 3.477 2.596
86 HB2 LEU 14 1HB LEU 14 1.623 3.839 2.991
87 HB3 LEU 14 2HB LEU 14 2.023 4.474 4.579
88 HG LEU 14 HG LEU 14 3.321 6.306 3.453
89 HD11 LEU 14 1HD1 LEU 14 2.814 6.744 1.063
90 HD12 LEU 14 2HD1 LEU 14 3.752 5.254 1.283
91 HD13 LEU 14 3HD1 LEU 14 2.005 5.163 0.956
92 HD21 LEU 14 1HD2 LEU 14 1.019 6.586 4.284
93 HD22 LEU 14 2HD2 LEU 14 1.294 7.544 2.815
94 HD23 LEU 14 3HD2 LEU 14 0.380 6.021 2.721
95 H ILE 15 H ILE 15 3.778 3.246 6.148
96 HA ILE 15 HA ILE 15 5.993 5.237 6.398
97 HB ILE 15 HB ILE 15 3.496 4.995 8.122
98 HG12 ILE 15 1HG1 ILE 15 2.995 6.044 5.975
99 HG13 ILE 15 2HG1 ILE 15 2.854 7.172 7.312
100 HG21 ILE 15 1HG2 ILE 15 5.832 6.928 8.332
101 HG22 ILE 15 2HG2 ILE 15 4.311 7.056 9.240
102 HG23 ILE 15 3HG2 ILE 15 5.375 5.665 9.499
103 HD11 ILE 15 1HD1 ILE 15 4.954 8.247 6.703
104 HD12 ILE 15 2HD1 ILE 15 5.214 7.060 5.406
105 HD13 ILE 15 3HD1 ILE 15 3.852 8.195 5.313
106 H PHE 16 H PHE 16 7.709 4.246 7.221
107 HA PHE 16 HA PHE 16 9.047 3.165 8.723
108 HB2 PHE 16 1HB PHE 16 6.816 4.221 10.425
109 HB3 PHE 16 2HB PHE 16 8.064 3.211 11.151
110 HD1 PHE 16 HD1 PHE 16 10.077 4.118 11.853
111 HD2 PHE 16 HD2 PHE 16 7.715 6.269 9.016
112 HE1 PHE 16 HE1 PHE 16 11.583 6.057 12.068
113 HE2 PHE 16 HE2 PHE 16 9.194 8.214 9.243
114 HZ PHE 16 HZ PHE 16 11.132 8.124 10.780
115 H CYS 17 H CYS 17 7.966 1.319 7.212
116 HA CYS 17 HA CYS 17 6.276 -0.617 8.072
117 HB2 CYS 17 1HB CYS 17 8.978 -1.344 6.862
118 HB3 CYS 17 2HB CYS 17 7.416 -2.153 6.630
119 HC CYS 17 HC CYS 17 7.882 -0.813 10.287
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.103 2.105 -2.761
2 HA2 GLY 1 1HA GLY 1 1.925 0.132 -0.985
3 HA3 GLY 1 2HA GLY 1 2.393 0.255 -2.665
4 H GLY 2 H GLY 2 3.975 -0.952 -0.766
5 HA2 GLY 2 1HA GLY 2 6.415 0.605 -0.975
6 HA3 GLY 2 2HA GLY 2 5.789 0.506 0.680
7 H GLY 3 H GLY 3 7.075 -0.870 1.711
8 HA2 GLY 3 1HA GLY 3 7.743 -3.455 0.359
9 HA3 GLY 3 2HA GLY 3 8.905 -2.520 1.300
10 H GLY 4 H GLY 4 5.578 -3.833 1.779
11 HA2 GLY 4 1HA GLY 4 5.995 -5.788 3.591
12 HA3 GLY 4 2HA GLY 4 6.253 -4.355 4.592
13 H ARG 5 H ARG 5 4.414 -4.553 5.901
14 HA ARG 5 HA ARG 5 1.799 -4.459 4.468
15 HB2 ARG 5 1HB ARG 5 0.822 -5.799 6.193
16 HB3 ARG 5 2HB ARG 5 2.240 -6.625 5.543
17 HG2 ARG 5 1HG ARG 5 3.551 -5.768 7.523
18 HG3 ARG 5 2HG ARG 5 2.015 -5.198 8.210
19 HD2 ARG 5 1HD ARG 5 1.134 -7.533 8.029
20 HD3 ARG 5 2HD ARG 5 2.718 -8.046 7.419
21 HE ARG 5 HE ARG 5 3.035 -6.689 9.913
22 HH11 ARG 5 1HH1 ARG 5 1.896 -9.788 8.640
23 HH12 ARG 5 2HH1 ARG 5 2.283 -10.628 10.131
24 HH21 ARG 5 1HH2 ARG 5 3.499 -7.826 11.751
25 HH22 ARG 5 2HH2 ARG 5 3.186 -9.550 11.843
26 H GLY 6 H GLY 6 0.028 -3.429 5.593
27 HA2 GLY 6 1HA GLY 6 -0.112 -2.092 7.896
28 HA3 GLY 6 2HA GLY 6 0.964 -1.017 7.014
29 H TYR 7 H TYR 7 0.086 -0.082 4.931
30 HA TYR 7 HA TYR 7 -2.843 0.281 4.964
31 HB2 TYR 7 1HB TYR 7 -1.868 1.600 6.876
32 HB3 TYR 7 2HB TYR 7 -0.986 2.559 5.684
33 HD1 TYR 7 HD1 TYR 7 -4.251 1.918 7.221
34 HD2 TYR 7 HD2 TYR 7 -2.240 3.967 4.061
35 HE1 TYR 7 HE1 TYR 7 -6.239 3.336 6.878
36 HE2 TYR 7 HE2 TYR 7 -4.207 5.446 3.767
37 HH TYR 7 HH TYR 7 -7.176 5.035 5.706
38 H GLU 8 H GLU 8 0.300 1.063 3.563
39 HA GLU 8 HA GLU 8 -0.346 3.072 1.762
40 HB2 GLU 8 1HB GLU 8 1.922 1.801 2.305
41 HB3 GLU 8 2HB GLU 8 1.488 0.793 0.939
42 HG2 GLU 8 1HG GLU 8 1.800 3.835 0.900
43 HG3 GLU 8 2HG GLU 8 3.001 2.707 0.318
44 H TYR 9 H TYR 9 -1.806 3.302 0.392
45 HA TYR 9 HA TYR 9 -3.319 3.013 -1.242
46 HB2 TYR 9 1HB TYR 9 -1.272 1.976 -2.411
47 HB3 TYR 9 2HB TYR 9 -2.052 0.420 -2.104
48 HD1 TYR 9 HD1 TYR 9 -2.388 3.676 -3.864
49 HD2 TYR 9 HD2 TYR 9 -4.010 -0.251 -3.370
50 HE1 TYR 9 HE1 TYR 9 -3.875 4.042 -5.798
51 HE2 TYR 9 HE2 TYR 9 -5.489 0.118 -5.307
52 HH TYR 9 HH TYR 9 -5.508 3.182 -7.129
53 H ASN 10 H ASN 10 -2.628 -0.141 0.252
54 HA ASN 10 HA ASN 10 -5.449 -0.195 1.138
55 HB2 ASN 10 1HB ASN 10 -4.054 -2.468 -0.335
56 HB3 ASN 10 2HB ASN 10 -5.487 -2.708 0.678
57 HD21 ASN 10 1HD2 ASN 10 -7.617 -0.815 -1.605
58 HD22 ASN 10 2HD2 ASN 10 -7.263 -0.879 0.110
59 H LYS 11 H LYS 11 -2.557 -2.323 1.237
60 HA LYS 11 HA LYS 11 -2.486 -2.061 4.180
61 HB2 LYS 11 1HB LYS 11 -3.001 -4.659 2.709
62 HB3 LYS 11 2HB LYS 11 -2.479 -4.581 4.389
63 HG2 LYS 11 1HG LYS 11 -5.059 -3.387 3.352
64 HG3 LYS 11 2HG LYS 11 -4.896 -4.972 4.121
65 HD2 LYS 11 1HD LYS 11 -3.947 -3.843 6.148
66 HD3 LYS 11 2HD LYS 11 -4.314 -2.281 5.405
67 HE2 LYS 11 1HE LYS 11 -6.352 -4.445 6.033
68 HE3 LYS 11 2HE LYS 11 -6.029 -3.020 7.030
69 HZ1 LYS 11 1HZ LYS 11 -7.023 -2.977 4.227
70 HZ2 LYS 11 2HZ LYS 11 -7.889 -2.561 5.564
71 HZ3 LYS 11 3HZ LYS 11 -6.617 -1.639 5.077
72 H GLN 12 H GLN 12 -0.516 -1.275 2.136
73 HA GLN 12 HA GLN 12 1.644 -3.193 2.879
74 HB2 GLN 12 1HB GLN 12 1.356 -1.278 0.586
75 HB3 GLN 12 2HB GLN 12 2.953 -1.813 1.131
76 HG2 GLN 12 1HG GLN 12 2.105 -4.197 0.903
77 HG3 GLN 12 2HG GLN 12 0.705 -3.513 0.063
78 HE21 GLN 12 1HE2 GLN 12 3.698 -4.475 -2.195
79 HE22 GLN 12 2HE2 GLN 12 3.001 -5.301 -0.816
80 H CYS 13 H CYS 13 3.858 -2.168 3.225
81 HA CYS 13 HA CYS 13 3.646 -0.472 5.510
82 HB2 CYS 13 1HB CYS 13 5.931 -1.386 3.783
83 HB3 CYS 13 2HB CYS 13 6.188 -0.043 4.899
84 H LEU 14 H LEU 14 3.102 1.575 5.611
85 HA LEU 14 HA LEU 14 3.362 3.338 3.267
86 HB2 LEU 14 1HB LEU 14 1.317 3.238 4.680
87 HB3 LEU 14 2HB LEU 14 2.253 3.799 6.054
88 HG LEU 14 HG LEU 14 2.562 5.984 4.989
89 HD11 LEU 14 1HD1 LEU 14 0.819 4.865 2.764
90 HD12 LEU 14 2HD1 LEU 14 1.288 6.567 2.962
91 HD13 LEU 14 3HD1 LEU 14 2.529 5.349 2.620
92 HD21 LEU 14 1HD2 LEU 14 0.225 6.702 5.170
93 HD22 LEU 14 2HD2 LEU 14 -0.322 5.019 5.012
94 HD23 LEU 14 3HD2 LEU 14 0.618 5.523 6.437
95 H ILE 15 H ILE 15 5.743 2.694 3.695
96 HA ILE 15 HA ILE 15 7.868 3.418 4.023
97 HB ILE 15 HB ILE 15 6.792 5.962 5.292
98 HG12 ILE 15 1HG1 ILE 15 7.648 5.599 2.404
99 HG13 ILE 15 2HG1 ILE 15 5.961 5.522 2.918
100 HG21 ILE 15 1HG2 ILE 15 9.172 5.445 5.744
101 HG22 ILE 15 2HG2 ILE 15 9.472 5.309 3.998
102 HG23 ILE 15 3HG2 ILE 15 9.000 6.869 4.709
103 HD11 ILE 15 1HD1 ILE 15 7.804 7.910 3.138
104 HD12 ILE 15 2HD1 ILE 15 6.374 7.721 2.100
105 HD13 ILE 15 3HD1 ILE 15 6.184 7.823 3.866
106 H PHE 16 H PHE 16 5.784 4.272 6.783
107 HA PHE 16 HA PHE 16 8.017 3.682 8.637
108 HB2 PHE 16 1HB PHE 16 5.306 4.834 9.322
109 HB3 PHE 16 2HB PHE 16 6.817 4.989 10.221
110 HD1 PHE 16 HD1 PHE 16 4.586 6.604 8.045
111 HD2 PHE 16 HD2 PHE 16 8.770 6.216 8.828
112 HE1 PHE 16 HE1 PHE 16 5.009 8.672 6.781
113 HE2 PHE 16 HE2 PHE 16 9.201 8.273 7.541
114 HZ PHE 16 HZ PHE 16 7.322 9.510 6.515
115 H CYS 17 H CYS 17 5.996 1.765 7.181
116 HA CYS 17 HA CYS 17 4.590 -0.034 7.722
117 HB2 CYS 17 1HB CYS 17 6.998 -0.420 9.560
118 HB3 CYS 17 2HB CYS 17 5.806 -1.688 9.185
119 HC CYS 17 HC CYS 17 4.615 0.928 10.665