Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
654776 | 7l7a RC | 30833 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 10.736 -9.838 2.318
2 H2 GLY 1 HT2 GLY 1 11.354 -8.637 3.347
3 H3 GLY 1 HT3 GLY 1 12.333 -9.303 2.130
4 HA2 GLY 1 HA2 GLY 1 11.519 -7.981 0.544
5 HA3 GLY 1 HA1 GLY 1 9.875 -8.154 1.156
6 H CYS 2 HN CYS 2 11.349 -5.693 0.361
7 HA CYS 2 HA CYS 2 11.968 -4.205 2.791
8 HB2 CYS 2 HB3 CYS 2 11.277 -3.122 0.045
9 HB3 CYS 2 HB2 CYS 2 12.382 -2.431 1.236
10 H CYS 3 HN CYS 3 10.369 -1.789 1.751
11 HA CYS 3 HA CYS 3 7.867 -2.512 3.177
12 HB2 CYS 3 HB3 CYS 3 8.251 0.231 2.080
13 HB3 CYS 3 HB2 CYS 3 7.693 -0.270 3.666
14 HA PRO 4 HA PRO 4 5.492 -2.889 -0.490
15 HB2 PRO 4 HB3 PRO 4 3.045 -2.052 0.406
16 HB3 PRO 4 HB2 PRO 4 3.759 -3.612 0.869
17 HG2 PRO 4 HG2 PRO 4 3.636 -1.059 2.391
18 HG3 PRO 4 HG3 PRO 4 3.465 -2.725 2.966
19 HD2 PRO 4 HD2 PRO 4 5.747 -1.246 3.246
20 HD3 PRO 4 HD3 PRO 4 5.725 -3.023 3.165
21 H ALA 5 HN ALA 5 5.840 0.144 1.122
22 HA ALA 5 HA ALA 5 4.410 2.058 -0.152
23 HB1 ALA 5 HB1 ALA 5 6.911 3.128 -0.335
24 HB2 ALA 5 HB2 ALA 5 7.194 1.784 0.773
25 HB3 ALA 5 HB3 ALA 5 5.994 3.013 1.166
26 HA PRO 6 HA PRO 6 7.280 -0.028 -0.556
27 HB2 PRO 6 HB3 PRO 6 9.486 -0.632 -2.002
28 HB3 PRO 6 HB2 PRO 6 7.965 -1.534 -2.149
29 HG2 PRO 6 HG2 PRO 6 9.205 0.363 -4.010
30 HG3 PRO 6 HG3 PRO 6 8.011 -0.906 -4.318
31 HD2 PRO 6 HD2 PRO 6 7.556 1.898 -4.056
32 HD3 PRO 6 HD3 PRO 6 6.354 0.618 -4.304
33 H LEU 7 HN LEU 7 9.254 0.316 0.640
34 HA LEU 7 HA LEU 7 10.599 2.936 0.063
35 HB2 LEU 7 HB3 LEU 7 8.964 2.050 2.258
36 HB3 LEU 7 HB2 LEU 7 10.601 2.343 2.847
37 HG LEU 7 HG LEU 7 10.588 4.586 1.880
38 HD11 LEU 7 1HD1 LEU 7 8.586 3.485 0.252
39 HD12 LEU 7 2HD1 LEU 7 9.175 5.141 0.215
40 HD13 LEU 7 3HD1 LEU 7 7.772 4.723 1.201
41 HD21 LEU 7 1HD2 LEU 7 9.392 5.480 3.608
42 HD22 LEU 7 2HD2 LEU 7 9.174 3.797 4.087
43 HD23 LEU 7 3HD2 LEU 7 7.919 4.620 3.160
44 H THR 8 HN THR 8 12.723 2.986 1.513
45 HA THR 8 HA THR 8 14.579 1.118 0.623
46 HB THR 8 HB THR 8 14.968 3.258 1.900
47 HG1 THR 8 HG1 THR 8 16.274 1.158 3.233
48 HG21 THR 8 1HG2 THR 8 13.384 2.984 3.703
49 HG22 THR 8 2HG2 THR 8 15.000 3.029 4.410
50 HG23 THR 8 3HG2 THR 8 14.163 1.490 4.220
51 H CYS 9 HN CYS 9 15.411 -0.867 1.523
52 HA CYS 9 HA CYS 9 13.419 -2.564 2.770
53 HB2 CYS 9 HB3 CYS 9 16.387 -3.004 2.337
54 HB3 CYS 9 HB2 CYS 9 15.138 -4.247 2.486
55 H HIS 10 HN HIS 10 15.268 -0.190 4.114
56 HA HIS 10 HA HIS 10 15.978 -1.609 6.611
57 HB2 HIS 10 HB3 HIS 10 17.078 0.459 5.234
58 HB3 HIS 10 HB2 HIS 10 16.046 1.361 6.350
59 HD1 HIS 10 HD1 HIS 10 16.282 -0.505 8.819
60 HD2 HIS 10 HD2 HIS 10 19.531 0.763 6.534
61 HE1 HIS 10 HE1 HIS 10 18.324 -0.697 10.306
62 H CYS 11 HN CYS 11 13.382 0.117 5.183
63 HA CYS 11 HA CYS 11 12.121 0.900 7.738
64 HB2 CYS 11 HB3 CYS 11 11.352 2.497 6.317
65 HB3 CYS 11 HB2 CYS 11 12.095 1.663 4.956
66 H VAL 12 HN VAL 12 11.706 -1.324 5.039
67 HA VAL 12 HA VAL 12 10.010 -2.969 4.684
68 HB VAL 12 HB VAL 12 12.221 -3.708 5.900
69 HG11 VAL 12 1HG1 VAL 12 11.992 -4.629 8.064
70 HG12 VAL 12 2HG1 VAL 12 10.230 -4.605 7.984
71 HG13 VAL 12 3HG1 VAL 12 11.125 -3.096 8.175
72 HG21 VAL 12 1HG2 VAL 12 11.620 -5.751 5.148
73 HG22 VAL 12 2HG2 VAL 12 10.068 -5.020 4.740
74 HG23 VAL 12 3HG2 VAL 12 10.271 -5.855 6.280
75 H ILE 13 HN ILE 13 7.912 -2.156 4.985
76 HA ILE 13 HA ILE 13 6.900 -1.811 7.745
77 HB ILE 13 HB ILE 13 5.564 -1.577 5.030
78 HG12 ILE 13 HG13 ILE 13 7.582 -0.086 5.488
79 HG13 ILE 13 HG12 ILE 13 6.080 0.767 5.134
80 HG21 ILE 13 1HG2 ILE 13 3.681 -1.318 6.238
81 HG22 ILE 13 2HG2 ILE 13 4.390 0.148 6.913
82 HG23 ILE 13 3HG2 ILE 13 4.583 -1.391 7.751
83 HD11 ILE 13 1HD1 ILE 13 7.711 0.980 7.461
84 HD12 ILE 13 2HD1 ILE 13 6.183 0.247 7.949
85 HD13 ILE 13 3HD1 ILE 13 6.190 1.807 7.125
86 H TYR 14 HN TYR 14 7.691 -4.420 7.367
87 HA TYR 14 HA TYR 14 5.267 -5.896 7.909
88 HB2 TYR 14 HB2 TYR 14 5.786 -5.459 5.245
89 HB3 TYR 14 HB3 TYR 14 6.556 -7.027 5.511
90 HD1 TYR 14 HD1 TYR 14 3.366 -5.156 5.682
91 HD2 TYR 14 HD2 TYR 14 5.258 -8.997 6.031
92 HE1 TYR 14 HE1 TYR 14 1.141 -6.255 5.654
93 HE2 TYR 14 HE2 TYR 14 3.034 -10.095 6.002
94 HH TYR 14 HH TYR 14 0.465 -9.013 4.893
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 13.691 -1.075 -1.178
2 H2 GLY 1 HT2 GLY 1 13.653 -0.085 -2.558
3 H3 GLY 1 HT3 GLY 1 13.645 -1.775 -2.722
4 HA2 GLY 1 HA2 GLY 1 11.484 -0.118 -1.538
5 HA3 GLY 1 HA1 GLY 1 11.439 -0.926 -3.106
6 H CYS 2 HN CYS 2 12.235 -1.808 0.280
7 HA CYS 2 HA CYS 2 11.150 -4.513 -0.174
8 HB2 CYS 2 HB3 CYS 2 12.292 -3.231 2.317
9 HB3 CYS 2 HB2 CYS 2 12.186 -4.955 1.960
10 H CYS 3 HN CYS 3 10.345 -1.566 1.622
11 HA CYS 3 HA CYS 3 8.205 -2.659 3.211
12 HB2 CYS 3 HB3 CYS 3 8.234 0.147 2.074
13 HB3 CYS 3 HB2 CYS 3 7.682 -0.383 3.659
14 HA PRO 4 HA PRO 4 4.990 -2.982 0.201
15 HB2 PRO 4 HB3 PRO 4 2.796 -1.957 1.476
16 HB3 PRO 4 HB2 PRO 4 3.512 -3.526 1.901
17 HG2 PRO 4 HG2 PRO 4 3.750 -0.903 3.271
18 HG3 PRO 4 HG3 PRO 4 3.683 -2.535 3.954
19 HD2 PRO 4 HD2 PRO 4 5.986 -1.058 3.662
20 HD3 PRO 4 HD3 PRO 4 5.934 -2.831 3.785
21 H ALA 5 HN ALA 5 6.178 -0.030 1.218
22 HA ALA 5 HA ALA 5 4.475 1.926 0.098
23 HB1 ALA 5 HB1 ALA 5 6.144 2.818 1.387
24 HB2 ALA 5 HB2 ALA 5 6.927 2.997 -0.182
25 HB3 ALA 5 HB3 ALA 5 7.330 1.627 0.854
26 HA PRO 6 HA PRO 6 7.317 -0.197 -0.275
27 HB2 PRO 6 HB3 PRO 6 9.380 -1.046 -1.819
28 HB3 PRO 6 HB2 PRO 6 7.806 -1.863 -1.807
29 HG2 PRO 6 HG2 PRO 6 9.027 -0.211 -3.883
30 HG3 PRO 6 HG3 PRO 6 7.709 -1.385 -4.002
31 HD2 PRO 6 HD2 PRO 6 7.535 1.480 -3.881
32 HD3 PRO 6 HD3 PRO 6 6.218 0.300 -4.046
33 H LEU 7 HN LEU 7 9.467 0.112 0.719
34 HA LEU 7 HA LEU 7 10.879 2.585 -0.239
35 HB2 LEU 7 HB3 LEU 7 9.332 2.125 2.134
36 HB3 LEU 7 HB2 LEU 7 11.019 2.370 2.593
37 HG LEU 7 HG LEU 7 11.118 4.469 1.415
38 HD11 LEU 7 1HD1 LEU 7 8.688 3.371 0.146
39 HD12 LEU 7 2HD1 LEU 7 9.910 4.449 -0.521
40 HD13 LEU 7 3HD1 LEU 7 8.620 5.098 0.492
41 HD21 LEU 7 1HD2 LEU 7 10.242 5.064 3.454
42 HD22 LEU 7 2HD2 LEU 7 8.874 3.961 3.305
43 HD23 LEU 7 3HD2 LEU 7 8.855 5.509 2.459
44 H THR 8 HN THR 8 12.943 2.642 1.559
45 HA THR 8 HA THR 8 14.796 0.728 0.640
46 HB THR 8 HB THR 8 15.364 2.841 1.748
47 HG1 THR 8 HG1 THR 8 17.040 1.551 2.010
48 HG21 THR 8 1HG2 THR 8 13.419 2.670 3.377
49 HG22 THR 8 2HG2 THR 8 14.937 3.243 4.069
50 HG23 THR 8 3HG2 THR 8 14.423 1.577 4.328
51 H CYS 9 HN CYS 9 15.898 -0.971 2.090
52 HA CYS 9 HA CYS 9 13.879 -2.833 3.072
53 HB2 CYS 9 HB3 CYS 9 16.638 -2.817 2.230
54 HB3 CYS 9 HB2 CYS 9 16.485 -3.689 3.761
55 H HIS 10 HN HIS 10 15.410 -0.205 4.485
56 HA HIS 10 HA HIS 10 15.608 -1.388 7.192
57 HB2 HIS 10 HB3 HIS 10 17.152 0.372 6.036
58 HB3 HIS 10 HB2 HIS 10 15.872 1.523 6.431
59 HD1 HIS 10 HD1 HIS 10 16.220 2.628 8.630
60 HD2 HIS 10 HD2 HIS 10 17.819 -1.221 8.596
61 HE1 HIS 10 HE1 HIS 10 17.256 2.262 10.912
62 H CYS 11 HN CYS 11 13.370 0.307 5.192
63 HA CYS 11 HA CYS 11 11.742 1.289 7.461
64 HB2 CYS 11 HB3 CYS 11 11.389 2.860 5.863
65 HB3 CYS 11 HB2 CYS 11 12.189 1.864 4.652
66 H VAL 12 HN VAL 12 12.045 -1.473 5.464
67 HA VAL 12 HA VAL 12 9.914 -2.729 4.713
68 HB VAL 12 HB VAL 12 12.160 -3.655 5.705
69 HG11 VAL 12 1HG1 VAL 12 11.249 -3.182 8.093
70 HG12 VAL 12 2HG1 VAL 12 12.058 -4.721 7.803
71 HG13 VAL 12 3HG1 VAL 12 10.297 -4.648 7.856
72 HG21 VAL 12 1HG2 VAL 12 9.546 -5.159 5.497
73 HG22 VAL 12 2HG2 VAL 12 11.088 -5.978 5.744
74 HG23 VAL 12 3HG2 VAL 12 10.820 -5.024 4.285
75 H ILE 13 HN ILE 13 7.846 -2.009 5.179
76 HA ILE 13 HA ILE 13 6.988 -1.794 8.010
77 HB ILE 13 HB ILE 13 5.382 -1.474 5.463
78 HG12 ILE 13 HG13 ILE 13 7.539 -0.109 5.540
79 HG13 ILE 13 HG12 ILE 13 6.052 0.829 5.395
80 HG21 ILE 13 1HG2 ILE 13 3.852 -1.389 7.201
81 HG22 ILE 13 2HG2 ILE 13 4.336 0.305 7.122
82 HG23 ILE 13 3HG2 ILE 13 5.033 -0.755 8.348
83 HD11 ILE 13 1HD1 ILE 13 8.002 1.232 7.310
84 HD12 ILE 13 2HD1 ILE 13 6.801 0.275 8.179
85 HD13 ILE 13 3HD1 ILE 13 6.335 1.799 7.422
86 H TYR 14 HN TYR 14 7.665 -4.427 6.573
87 HA TYR 14 HA TYR 14 5.392 -5.940 7.655
88 HB2 TYR 14 HB2 TYR 14 5.593 -5.175 4.893
89 HB3 TYR 14 HB3 TYR 14 5.782 -6.929 5.010
90 HD1 TYR 14 HD1 TYR 14 3.970 -8.346 5.727
91 HD2 TYR 14 HD2 TYR 14 3.553 -4.072 5.781
92 HE1 TYR 14 HE1 TYR 14 1.531 -8.591 6.101
93 HE2 TYR 14 HE2 TYR 14 1.113 -4.314 6.154
94 HH TYR 14 HH TYR 14 -0.319 -7.197 7.108
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 12.509 0.226 -1.340
2 H2 GLY 1 HT2 GLY 1 11.072 -0.367 -0.654
3 H3 GLY 1 HT3 GLY 1 11.014 0.601 -2.049
4 HA2 GLY 1 HA2 GLY 1 10.978 -1.257 -3.236
5 HA3 GLY 1 HA1 GLY 1 12.663 -1.463 -2.753
6 H CYS 2 HN CYS 2 12.128 -1.844 0.064
7 HA CYS 2 HA CYS 2 11.292 -4.670 -0.038
8 HB2 CYS 2 HB3 CYS 2 12.402 -2.925 2.177
9 HB3 CYS 2 HB2 CYS 2 12.312 -4.689 2.195
10 H CYS 3 HN CYS 3 10.315 -1.661 1.608
11 HA CYS 3 HA CYS 3 8.181 -2.864 3.158
12 HB2 CYS 3 HB3 CYS 3 8.002 -0.025 2.183
13 HB3 CYS 3 HB2 CYS 3 7.675 -0.674 3.787
14 HA PRO 4 HA PRO 4 4.950 -2.870 0.129
15 HB2 PRO 4 HB3 PRO 4 2.839 -1.560 1.270
16 HB3 PRO 4 HB2 PRO 4 3.407 -3.144 1.838
17 HG2 PRO 4 HG2 PRO 4 3.733 -0.484 3.053
18 HG3 PRO 4 HG3 PRO 4 3.718 -2.079 3.811
19 HD2 PRO 4 HD2 PRO 4 5.978 -0.497 3.227
20 HD3 PRO 4 HD3 PRO 4 5.973 -2.186 3.782
21 H ALA 5 HN ALA 5 5.943 0.233 1.283
22 HA ALA 5 HA ALA 5 4.552 2.118 -0.175
23 HB1 ALA 5 HB1 ALA 5 7.277 1.761 0.873
24 HB2 ALA 5 HB2 ALA 5 6.169 3.120 1.060
25 HB3 ALA 5 HB3 ALA 5 7.141 2.971 -0.403
26 HA PRO 6 HA PRO 6 7.309 -0.164 -0.253
27 HB2 PRO 6 HB3 PRO 6 9.514 -1.028 -1.560
28 HB3 PRO 6 HB2 PRO 6 7.954 -1.866 -1.661
29 HG2 PRO 6 HG2 PRO 6 9.333 -0.236 -3.670
30 HG3 PRO 6 HG3 PRO 6 8.097 -1.486 -3.878
31 HD2 PRO 6 HD2 PRO 6 7.747 1.340 -3.947
32 HD3 PRO 6 HD3 PRO 6 6.498 0.084 -4.073
33 H LEU 7 HN LEU 7 9.332 0.183 0.917
34 HA LEU 7 HA LEU 7 10.733 2.725 0.142
35 HB2 LEU 7 HB3 LEU 7 9.158 1.960 2.424
36 HB3 LEU 7 HB2 LEU 7 10.814 2.272 2.950
37 HG LEU 7 HG LEU 7 10.787 4.478 1.983
38 HD11 LEU 7 1HD1 LEU 7 9.569 4.869 0.129
39 HD12 LEU 7 2HD1 LEU 7 8.088 4.716 1.074
40 HD13 LEU 7 3HD1 LEU 7 8.796 3.299 0.310
41 HD21 LEU 7 1HD2 LEU 7 8.207 3.832 3.443
42 HD22 LEU 7 2HD2 LEU 7 8.768 5.476 3.135
43 HD23 LEU 7 3HD2 LEU 7 9.719 4.395 4.154
44 H THR 8 HN THR 8 12.901 2.821 1.528
45 HA THR 8 HA THR 8 14.749 0.943 0.664
46 HB THR 8 HB THR 8 15.231 3.081 1.818
47 HG1 THR 8 HG1 THR 8 16.892 1.595 1.781
48 HG21 THR 8 1HG2 THR 8 13.449 2.812 3.551
49 HG22 THR 8 2HG2 THR 8 15.013 3.263 4.231
50 HG23 THR 8 3HG2 THR 8 14.453 1.595 4.340
51 H CYS 9 HN CYS 9 15.915 -0.766 2.015
52 HA CYS 9 HA CYS 9 13.977 -2.678 3.057
53 HB2 CYS 9 HB3 CYS 9 16.642 -2.618 2.032
54 HB3 CYS 9 HB2 CYS 9 16.682 -3.409 3.614
55 H HIS 10 HN HIS 10 15.485 -0.029 4.441
56 HA HIS 10 HA HIS 10 15.867 -1.226 7.115
57 HB2 HIS 10 HB3 HIS 10 16.030 1.632 6.090
58 HB3 HIS 10 HB2 HIS 10 16.657 1.044 7.631
59 HD1 HIS 10 HD1 HIS 10 17.621 1.541 4.160
60 HD2 HIS 10 HD2 HIS 10 18.766 -1.046 7.222
61 HE1 HIS 10 HE1 HIS 10 19.853 0.561 3.474
62 H CYS 11 HN CYS 11 13.377 0.181 5.244
63 HA CYS 11 HA CYS 11 11.855 1.205 7.564
64 HB2 CYS 11 HB3 CYS 11 11.304 2.628 5.879
65 HB3 CYS 11 HB2 CYS 11 12.024 1.562 4.678
66 H VAL 12 HN VAL 12 11.614 -1.277 5.048
67 HA VAL 12 HA VAL 12 9.854 -2.913 4.789
68 HB VAL 12 HB VAL 12 12.136 -3.639 5.793
69 HG11 VAL 12 1HG1 VAL 12 10.511 -4.489 8.162
70 HG12 VAL 12 2HG1 VAL 12 11.209 -2.869 8.148
71 HG13 VAL 12 3HG1 VAL 12 12.258 -4.281 8.017
72 HG21 VAL 12 1HG2 VAL 12 10.900 -5.298 4.686
73 HG22 VAL 12 2HG2 VAL 12 9.563 -5.202 5.832
74 HG23 VAL 12 3HG2 VAL 12 11.077 -5.971 6.307
75 H ILE 13 HN ILE 13 7.769 -2.091 5.231
76 HA ILE 13 HA ILE 13 6.932 -1.797 8.057
77 HB ILE 13 HB ILE 13 5.546 -1.412 5.385
78 HG12 ILE 13 HG13 ILE 13 7.425 0.159 6.070
79 HG13 ILE 13 HG12 ILE 13 5.865 0.937 5.799
80 HG21 ILE 13 1HG2 ILE 13 4.499 -1.544 8.112
81 HG22 ILE 13 2HG2 ILE 13 3.628 -1.512 6.579
82 HG23 ILE 13 3HG2 ILE 13 4.146 -0.004 7.331
83 HD11 ILE 13 1HD1 ILE 13 5.540 1.383 8.035
84 HD12 ILE 13 2HD1 ILE 13 7.303 1.402 8.010
85 HD13 ILE 13 3HD1 ILE 13 6.444 -0.038 8.557
86 H TYR 14 HN TYR 14 7.538 -4.454 6.484
87 HA TYR 14 HA TYR 14 5.703 -6.110 7.919
88 HB2 TYR 14 HB2 TYR 14 4.047 -6.576 6.336
89 HB3 TYR 14 HB3 TYR 14 4.357 -4.869 6.009
90 HD1 TYR 14 HD1 TYR 14 6.180 -4.340 4.210
91 HD2 TYR 14 HD2 TYR 14 4.239 -8.150 4.618
92 HE1 TYR 14 HE1 TYR 14 6.812 -4.911 1.880
93 HE2 TYR 14 HE2 TYR 14 4.868 -8.721 2.289
94 HH TYR 14 HH TYR 14 5.440 -7.463 0.177
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 11.594 -5.257 -2.878
2 H2 GLY 1 HT2 GLY 1 11.310 -4.360 -4.294
3 H3 GLY 1 HT3 GLY 1 10.122 -5.422 -3.704
4 HA2 GLY 1 HA2 GLY 1 10.947 -2.794 -2.659
5 HA3 GLY 1 HA1 GLY 1 9.323 -3.386 -3.014
6 H CYS 2 HN CYS 2 11.814 -3.204 -0.622
7 HA CYS 2 HA CYS 2 11.058 -5.248 1.178
8 HB2 CYS 2 HB3 CYS 2 12.560 -2.742 1.150
9 HB3 CYS 2 HB2 CYS 2 11.834 -3.075 2.726
10 H CYS 3 HN CYS 3 10.248 -1.833 1.867
11 HA CYS 3 HA CYS 3 7.971 -2.562 3.495
12 HB2 CYS 3 HB3 CYS 3 8.257 0.105 2.106
13 HB3 CYS 3 HB2 CYS 3 7.650 -0.234 3.724
14 HA PRO 4 HA PRO 4 4.818 -3.002 0.472
15 HB2 PRO 4 HB3 PRO 4 2.680 -1.726 1.617
16 HB3 PRO 4 HB2 PRO 4 3.295 -3.292 2.190
17 HG2 PRO 4 HG2 PRO 4 3.706 -0.573 3.314
18 HG3 PRO 4 HG3 PRO 4 3.508 -2.124 4.144
19 HD2 PRO 4 HD2 PRO 4 5.916 -0.866 3.775
20 HD3 PRO 4 HD3 PRO 4 5.729 -2.618 4.015
21 H ALA 5 HN ALA 5 6.218 -0.050 1.084
22 HA ALA 5 HA ALA 5 4.533 1.811 -0.276
23 HB1 ALA 5 HB1 ALA 5 7.065 2.759 -0.598
24 HB2 ALA 5 HB2 ALA 5 7.300 1.603 0.714
25 HB3 ALA 5 HB3 ALA 5 6.136 2.916 0.891
26 HA PRO 6 HA PRO 6 7.418 -0.310 -0.307
27 HB2 PRO 6 HB3 PRO 6 9.636 -1.130 -1.643
28 HB3 PRO 6 HB2 PRO 6 8.127 -2.064 -1.606
29 HG2 PRO 6 HG2 PRO 6 9.328 -0.545 -3.800
30 HG3 PRO 6 HG3 PRO 6 8.115 -1.833 -3.849
31 HD2 PRO 6 HD2 PRO 6 7.701 0.992 -4.072
32 HD3 PRO 6 HD3 PRO 6 6.487 -0.304 -4.120
33 H LEU 7 HN LEU 7 9.457 0.191 0.759
34 HA LEU 7 HA LEU 7 10.723 2.742 -0.177
35 HB2 LEU 7 HB3 LEU 7 9.173 2.092 2.158
36 HB3 LEU 7 HB2 LEU 7 10.818 2.487 2.660
37 HG LEU 7 HG LEU 7 10.732 4.620 1.567
38 HD11 LEU 7 1HD1 LEU 7 8.690 3.271 0.015
39 HD12 LEU 7 2HD1 LEU 7 9.604 4.722 -0.387
40 HD13 LEU 7 3HD1 LEU 7 8.119 4.845 0.558
41 HD21 LEU 7 1HD2 LEU 7 8.879 3.863 3.582
42 HD22 LEU 7 2HD2 LEU 7 8.019 4.945 2.488
43 HD23 LEU 7 3HD2 LEU 7 9.513 5.478 3.260
44 H THR 8 HN THR 8 12.799 2.970 1.500
45 HA THR 8 HA THR 8 14.813 1.242 0.675
46 HB THR 8 HB THR 8 15.126 3.312 1.979
47 HG1 THR 8 HG1 THR 8 16.905 2.166 2.232
48 HG21 THR 8 1HG2 THR 8 14.402 3.581 4.178
49 HG22 THR 8 2HG2 THR 8 14.366 1.844 4.484
50 HG23 THR 8 3HG2 THR 8 13.104 2.594 3.505
51 H CYS 9 HN CYS 9 15.914 -0.539 1.994
52 HA CYS 9 HA CYS 9 13.870 -2.444 2.907
53 HB2 CYS 9 HB3 CYS 9 16.697 -2.451 2.049
54 HB3 CYS 9 HB2 CYS 9 16.288 -3.663 3.268
55 H HIS 10 HN HIS 10 15.477 0.036 4.386
56 HA HIS 10 HA HIS 10 15.972 -1.349 6.956
57 HB2 HIS 10 HB3 HIS 10 16.807 1.043 5.583
58 HB3 HIS 10 HB2 HIS 10 16.120 1.494 7.149
59 HD1 HIS 10 HD1 HIS 10 18.999 -0.291 5.584
60 HD2 HIS 10 HD2 HIS 10 17.509 0.387 9.418
61 HE1 HIS 10 HE1 HIS 10 20.827 -0.980 7.195
62 H CYS 11 HN CYS 11 13.433 0.187 5.278
63 HA CYS 11 HA CYS 11 11.975 1.046 7.703
64 HB2 CYS 11 HB3 CYS 11 11.390 2.579 6.121
65 HB3 CYS 11 HB2 CYS 11 12.087 1.591 4.843
66 H VAL 12 HN VAL 12 11.856 -1.360 5.130
67 HA VAL 12 HA VAL 12 10.162 -3.040 4.741
68 HB VAL 12 HB VAL 12 12.370 -3.773 5.796
69 HG11 VAL 12 1HG1 VAL 12 11.008 -4.740 8.193
70 HG12 VAL 12 2HG1 VAL 12 11.102 -2.980 8.143
71 HG13 VAL 12 3HG1 VAL 12 12.574 -3.945 8.040
72 HG21 VAL 12 1HG2 VAL 12 10.040 -5.581 6.461
73 HG22 VAL 12 2HG2 VAL 12 11.649 -6.039 5.901
74 HG23 VAL 12 3HG2 VAL 12 10.521 -5.252 4.797
75 H ILE 13 HN ILE 13 8.199 -1.658 5.321
76 HA ILE 13 HA ILE 13 7.119 -2.139 8.042
77 HB ILE 13 HB ILE 13 6.165 -0.639 5.586
78 HG12 ILE 13 HG13 ILE 13 7.961 0.499 6.698
79 HG13 ILE 13 HG12 ILE 13 6.477 1.303 7.202
80 HG21 ILE 13 1HG2 ILE 13 4.086 -0.742 6.453
81 HG22 ILE 13 2HG2 ILE 13 4.688 0.167 7.839
82 HG23 ILE 13 3HG2 ILE 13 4.673 -1.595 7.881
83 HD11 ILE 13 1HD1 ILE 13 7.601 0.994 9.238
84 HD12 ILE 13 2HD1 ILE 13 8.224 -0.585 8.762
85 HD13 ILE 13 3HD1 ILE 13 6.523 -0.400 9.184
86 H TYR 14 HN TYR 14 7.490 -4.542 6.868
87 HA TYR 14 HA TYR 14 6.351 -6.541 6.399
88 HB2 TYR 14 HB2 TYR 14 3.859 -4.852 6.784
89 HB3 TYR 14 HB3 TYR 14 4.026 -6.591 7.038
90 HD1 TYR 14 HD1 TYR 14 3.285 -4.079 8.959
91 HD2 TYR 14 HD2 TYR 14 6.682 -6.651 8.421
92 HE1 TYR 14 HE1 TYR 14 3.957 -3.682 11.312
93 HE2 TYR 14 HE2 TYR 14 7.356 -6.253 10.772
94 HH TYR 14 HH TYR 14 6.998 -4.974 12.594
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 13.211 -0.393 -3.540
2 H2 GLY 1 HT2 GLY 1 13.576 -1.579 -2.380
3 H3 GLY 1 HT3 GLY 1 12.769 -0.157 -1.920
4 HA2 GLY 1 HA2 GLY 1 10.777 -0.794 -2.854
5 HA3 GLY 1 HA1 GLY 1 11.570 -1.944 -3.930
6 H CYS 2 HN CYS 2 12.115 -1.551 -0.445
7 HA CYS 2 HA CYS 2 11.645 -4.442 -0.078
8 HB2 CYS 2 HB3 CYS 2 13.184 -2.310 1.092
9 HB3 CYS 2 HB2 CYS 2 12.243 -3.121 2.350
10 H CYS 3 HN CYS 3 10.568 -1.502 1.656
11 HA CYS 3 HA CYS 3 8.446 -2.776 3.098
12 HB2 CYS 3 HB3 CYS 3 8.370 0.095 2.129
13 HB3 CYS 3 HB2 CYS 3 7.792 -0.553 3.661
14 HA PRO 4 HA PRO 4 5.292 -3.107 0.018
15 HB2 PRO 4 HB3 PRO 4 3.028 -2.299 1.328
16 HB3 PRO 4 HB2 PRO 4 3.830 -3.849 1.662
17 HG2 PRO 4 HG2 PRO 4 3.924 -1.301 3.189
18 HG3 PRO 4 HG3 PRO 4 3.908 -2.971 3.776
19 HD2 PRO 4 HD2 PRO 4 6.158 -1.414 3.632
20 HD3 PRO 4 HD3 PRO 4 6.175 -3.190 3.595
21 H ALA 5 HN ALA 5 5.965 -0.110 1.540
22 HA ALA 5 HA ALA 5 4.316 1.818 0.488
23 HB1 ALA 5 HB1 ALA 5 7.171 1.558 1.184
24 HB2 ALA 5 HB2 ALA 5 5.986 2.750 1.719
25 HB3 ALA 5 HB3 ALA 5 6.779 2.934 0.156
26 HA PRO 6 HA PRO 6 7.166 -0.211 -0.181
27 HB2 PRO 6 HB3 PRO 6 9.245 -0.800 -1.820
28 HB3 PRO 6 HB2 PRO 6 7.706 -1.679 -1.875
29 HG2 PRO 6 HG2 PRO 6 8.820 0.237 -3.780
30 HG3 PRO 6 HG3 PRO 6 7.564 -0.990 -4.008
31 HD2 PRO 6 HD2 PRO 6 7.233 1.827 -3.609
32 HD3 PRO 6 HD3 PRO 6 5.977 0.594 -3.847
33 H LEU 7 HN LEU 7 9.464 -0.010 0.659
34 HA LEU 7 HA LEU 7 10.782 2.574 -0.013
35 HB2 LEU 7 HB3 LEU 7 9.069 2.134 2.206
36 HB3 LEU 7 HB2 LEU 7 10.712 2.217 2.843
37 HG LEU 7 HG LEU 7 11.090 4.336 1.686
38 HD11 LEU 7 1HD1 LEU 7 8.360 3.727 0.568
39 HD12 LEU 7 2HD1 LEU 7 9.829 4.156 -0.301
40 HD13 LEU 7 3HD1 LEU 7 8.963 5.381 0.625
41 HD21 LEU 7 1HD2 LEU 7 8.393 4.688 2.964
42 HD22 LEU 7 2HD2 LEU 7 9.849 5.666 3.148
43 HD23 LEU 7 3HD2 LEU 7 9.737 4.096 3.943
44 H THR 8 HN THR 8 12.857 2.688 1.538
45 HA THR 8 HA THR 8 14.733 0.794 0.800
46 HB THR 8 HB THR 8 15.276 2.882 1.899
47 HG1 THR 8 HG1 THR 8 16.617 0.952 2.256
48 HG21 THR 8 1HG2 THR 8 14.756 3.281 4.257
49 HG22 THR 8 2HG2 THR 8 14.000 1.693 4.380
50 HG23 THR 8 3HG2 THR 8 13.270 2.940 3.370
51 H CYS 9 HN CYS 9 15.847 -0.872 2.208
52 HA CYS 9 HA CYS 9 13.896 -2.795 3.254
53 HB2 CYS 9 HB3 CYS 9 16.918 -2.716 2.975
54 HB3 CYS 9 HB2 CYS 9 16.030 -4.127 3.559
55 H HIS 10 HN HIS 10 15.435 -0.129 4.569
56 HA HIS 10 HA HIS 10 15.877 -1.295 7.253
57 HB2 HIS 10 HB3 HIS 10 17.454 0.354 6.451
58 HB3 HIS 10 HB2 HIS 10 16.148 1.462 6.012
59 HD1 HIS 10 HD1 HIS 10 15.771 3.244 7.701
60 HD2 HIS 10 HD2 HIS 10 17.240 -0.235 9.464
61 HE1 HIS 10 HE1 HIS 10 15.999 3.737 10.173
62 H CYS 11 HN CYS 11 13.412 0.259 5.422
63 HA CYS 11 HA CYS 11 11.927 1.236 7.776
64 HB2 CYS 11 HB3 CYS 11 11.277 2.670 6.141
65 HB3 CYS 11 HB2 CYS 11 12.085 1.687 4.925
66 H VAL 12 HN VAL 12 11.739 -1.274 5.309
67 HA VAL 12 HA VAL 12 10.064 -2.972 5.021
68 HB VAL 12 HB VAL 12 12.169 -3.714 6.191
69 HG11 VAL 12 1HG1 VAL 12 12.374 -3.693 8.460
70 HG12 VAL 12 2HG1 VAL 12 10.679 -4.105 8.717
71 HG13 VAL 12 3HG1 VAL 12 11.139 -2.441 8.369
72 HG21 VAL 12 1HG2 VAL 12 10.881 -5.522 5.505
73 HG22 VAL 12 2HG2 VAL 12 9.500 -5.047 6.496
74 HG23 VAL 12 3HG2 VAL 12 10.911 -5.792 7.248
75 H ILE 13 HN ILE 13 8.017 -1.873 5.212
76 HA ILE 13 HA ILE 13 6.848 -1.579 7.917
77 HB ILE 13 HB ILE 13 6.465 -0.582 5.195
78 HG12 ILE 13 HG13 ILE 13 5.059 0.928 7.141
79 HG13 ILE 13 HG12 ILE 13 6.532 0.326 7.907
80 HG21 ILE 13 1HG2 ILE 13 4.072 -0.312 5.206
81 HG22 ILE 13 2HG2 ILE 13 3.944 -1.043 6.807
82 HG23 ILE 13 3HG2 ILE 13 4.402 -2.031 5.419
83 HD11 ILE 13 1HD1 ILE 13 6.263 2.431 5.979
84 HD12 ILE 13 2HD1 ILE 13 7.227 1.133 5.275
85 HD13 ILE 13 3HD1 ILE 13 7.722 1.872 6.798
86 H TYR 14 HN TYR 14 7.473 -4.211 6.327
87 HA TYR 14 HA TYR 14 6.555 -6.387 6.411
88 HB2 TYR 14 HB2 TYR 14 5.722 -5.249 8.628
89 HB3 TYR 14 HB3 TYR 14 4.161 -5.201 7.801
90 HD1 TYR 14 HD1 TYR 14 6.929 -7.494 8.814
91 HD2 TYR 14 HD2 TYR 14 2.814 -7.135 7.636
92 HE1 TYR 14 HE1 TYR 14 6.565 -9.887 9.361
93 HE2 TYR 14 HE2 TYR 14 2.448 -9.527 8.183
94 HH TYR 14 HH TYR 14 5.135 -11.628 9.121
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 13.879 -1.950 -1.103
2 H2 GLY 1 HT2 GLY 1 14.001 -0.404 -1.796
3 H3 GLY 1 HT3 GLY 1 13.809 -1.771 -2.787
4 HA2 GLY 1 HA2 GLY 1 11.829 -0.338 -1.179
5 HA3 GLY 1 HA1 GLY 1 11.671 -1.039 -2.790
6 H CYS 2 HN CYS 2 12.278 -2.107 0.586
7 HA CYS 2 HA CYS 2 11.062 -4.730 -0.025
8 HB2 CYS 2 HB3 CYS 2 12.430 -3.449 2.334
9 HB3 CYS 2 HB2 CYS 2 11.694 -5.040 2.453
10 H CYS 3 HN CYS 3 10.254 -1.741 1.680
11 HA CYS 3 HA CYS 3 8.008 -2.769 3.181
12 HB2 CYS 3 HB3 CYS 3 8.018 0.039 2.098
13 HB3 CYS 3 HB2 CYS 3 7.583 -0.529 3.705
14 HA PRO 4 HA PRO 4 4.879 -2.766 0.055
15 HB2 PRO 4 HB3 PRO 4 2.792 -1.322 1.068
16 HB3 PRO 4 HB2 PRO 4 3.286 -2.895 1.729
17 HG2 PRO 4 HG2 PRO 4 3.662 -0.194 2.830
18 HG3 PRO 4 HG3 PRO 4 3.602 -1.756 3.656
19 HD2 PRO 4 HD2 PRO 4 5.906 -0.237 3.014
20 HD3 PRO 4 HD3 PRO 4 5.853 -1.876 3.700
21 H ALA 5 HN ALA 5 5.862 0.406 1.102
22 HA ALA 5 HA ALA 5 4.583 2.215 -0.524
23 HB1 ALA 5 HB1 ALA 5 7.277 1.868 0.617
24 HB2 ALA 5 HB2 ALA 5 6.178 3.242 0.724
25 HB3 ALA 5 HB3 ALA 5 7.183 3.027 -0.709
26 HA PRO 6 HA PRO 6 7.322 -0.078 -0.381
27 HB2 PRO 6 HB3 PRO 6 9.547 -1.061 -1.585
28 HB3 PRO 6 HB2 PRO 6 7.979 -1.887 -1.638
29 HG2 PRO 6 HG2 PRO 6 9.402 -0.449 -3.755
30 HG3 PRO 6 HG3 PRO 6 8.136 -1.681 -3.876
31 HD2 PRO 6 HD2 PRO 6 7.863 1.147 -4.156
32 HD3 PRO 6 HD3 PRO 6 6.590 -0.088 -4.228
33 H LEU 7 HN LEU 7 9.279 0.364 0.827
34 HA LEU 7 HA LEU 7 10.714 2.847 -0.071
35 HB2 LEU 7 HB3 LEU 7 9.111 2.151 2.231
36 HB3 LEU 7 HB2 LEU 7 10.745 2.568 2.747
37 HG LEU 7 HG LEU 7 10.624 4.693 1.570
38 HD11 LEU 7 1HD1 LEU 7 8.880 3.453 -0.103
39 HD12 LEU 7 2HD1 LEU 7 9.042 5.202 -0.005
40 HD13 LEU 7 3HD1 LEU 7 7.756 4.383 0.880
41 HD21 LEU 7 1HD2 LEU 7 8.268 5.431 2.703
42 HD22 LEU 7 2HD2 LEU 7 9.749 5.187 3.628
43 HD23 LEU 7 3HD2 LEU 7 8.547 3.900 3.537
44 H THR 8 HN THR 8 12.854 3.017 1.354
45 HA THR 8 HA THR 8 14.758 1.157 0.651
46 HB THR 8 HB THR 8 15.077 3.317 1.892
47 HG1 THR 8 HG1 THR 8 16.953 2.596 2.485
48 HG21 THR 8 1HG2 THR 8 13.294 2.859 3.588
49 HG22 THR 8 2HG2 THR 8 14.825 3.359 4.307
50 HG23 THR 8 3HG2 THR 8 14.357 1.658 4.323
51 H CYS 9 HN CYS 9 15.686 -0.748 1.745
52 HA CYS 9 HA CYS 9 13.630 -2.424 2.927
53 HB2 CYS 9 HB3 CYS 9 16.567 -2.758 2.313
54 HB3 CYS 9 HB2 CYS 9 15.576 -4.055 2.994
55 H HIS 10 HN HIS 10 15.304 0.010 4.261
56 HA HIS 10 HA HIS 10 15.958 -1.320 6.824
57 HB2 HIS 10 HB3 HIS 10 16.943 0.855 5.423
58 HB3 HIS 10 HB2 HIS 10 15.922 1.628 6.640
59 HD1 HIS 10 HD1 HIS 10 16.530 -0.946 8.637
60 HD2 HIS 10 HD2 HIS 10 19.252 1.736 6.968
61 HE1 HIS 10 HE1 HIS 10 18.588 -1.005 10.110
62 H CYS 11 HN CYS 11 13.348 0.185 5.195
63 HA CYS 11 HA CYS 11 11.907 1.005 7.641
64 HB2 CYS 11 HB3 CYS 11 11.228 2.510 6.068
65 HB3 CYS 11 HB2 CYS 11 11.958 1.554 4.781
66 H VAL 12 HN VAL 12 11.634 -1.284 4.962
67 HA VAL 12 HA VAL 12 9.998 -3.010 4.636
68 HB VAL 12 HB VAL 12 12.282 -3.705 5.594
69 HG11 VAL 12 1HG1 VAL 12 12.516 -4.234 7.818
70 HG12 VAL 12 2HG1 VAL 12 10.824 -4.699 7.990
71 HG13 VAL 12 3HG1 VAL 12 11.273 -2.993 7.990
72 HG21 VAL 12 1HG2 VAL 12 10.236 -5.152 4.674
73 HG22 VAL 12 2HG2 VAL 12 10.227 -5.742 6.336
74 HG23 VAL 12 3HG2 VAL 12 11.677 -5.918 5.346
75 H ILE 13 HN ILE 13 7.918 -2.062 5.155
76 HA ILE 13 HA ILE 13 7.028 -2.205 7.984
77 HB ILE 13 HB ILE 13 5.480 -1.524 5.463
78 HG12 ILE 13 HG13 ILE 13 7.498 -0.113 5.661
79 HG13 ILE 13 HG12 ILE 13 6.041 0.827 5.979
80 HG21 ILE 13 1HG2 ILE 13 3.930 -0.464 6.923
81 HG22 ILE 13 2HG2 ILE 13 5.044 -0.543 8.288
82 HG23 ILE 13 3HG2 ILE 13 4.285 -2.016 7.682
83 HD11 ILE 13 1HD1 ILE 13 6.385 0.609 8.388
84 HD12 ILE 13 2HD1 ILE 13 7.835 1.281 7.643
85 HD13 ILE 13 3HD1 ILE 13 7.794 -0.416 8.116
86 H TYR 14 HN TYR 14 7.197 -4.495 8.256
87 HA TYR 14 HA TYR 14 6.064 -6.547 8.539
88 HB2 TYR 14 HB2 TYR 14 3.851 -6.429 8.131
89 HB3 TYR 14 HB3 TYR 14 4.113 -4.877 7.354
90 HD1 TYR 14 HD1 TYR 14 2.381 -7.709 6.904
91 HD2 TYR 14 HD2 TYR 14 5.414 -5.498 4.802
92 HE1 TYR 14 HE1 TYR 14 1.639 -8.710 4.763
93 HE2 TYR 14 HE2 TYR 14 4.663 -6.498 2.669
94 HH TYR 14 HH TYR 14 3.466 -8.559 1.931
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 10.481 -3.314 -4.659
2 H2 GLY 1 HT2 GLY 1 9.863 -1.733 -4.596
3 H3 GLY 1 HT3 GLY 1 9.269 -2.923 -3.540
4 HA2 GLY 1 HA2 GLY 1 12.136 -2.380 -3.452
5 HA3 GLY 1 HA1 GLY 1 11.058 -1.158 -2.776
6 H CYS 2 HN CYS 2 12.136 -1.851 -0.700
7 HA CYS 2 HA CYS 2 11.605 -4.496 0.370
8 HB2 CYS 2 HB3 CYS 2 12.293 -1.934 1.826
9 HB3 CYS 2 HB2 CYS 2 12.664 -3.586 2.327
10 H CYS 3 HN CYS 3 10.510 -1.381 1.754
11 HA CYS 3 HA CYS 3 8.270 -2.539 3.131
12 HB2 CYS 3 HB3 CYS 3 8.383 0.322 2.130
13 HB3 CYS 3 HB2 CYS 3 7.694 -0.279 3.633
14 HA PRO 4 HA PRO 4 5.268 -2.793 -0.087
15 HB2 PRO 4 HB3 PRO 4 2.973 -1.834 1.056
16 HB3 PRO 4 HB2 PRO 4 3.684 -3.404 1.491
17 HG2 PRO 4 HG2 PRO 4 3.780 -0.816 2.940
18 HG3 PRO 4 HG3 PRO 4 3.700 -2.466 3.575
19 HD2 PRO 4 HD2 PRO 4 5.986 -0.933 3.472
20 HD3 PRO 4 HD3 PRO 4 5.964 -2.709 3.563
21 H ALA 5 HN ALA 5 6.079 0.225 1.277
22 HA ALA 5 HA ALA 5 4.520 2.153 0.052
23 HB1 ALA 5 HB1 ALA 5 7.298 1.850 0.971
24 HB2 ALA 5 HB2 ALA 5 6.133 3.130 1.312
25 HB3 ALA 5 HB3 ALA 5 7.054 3.154 -0.191
26 HA PRO 6 HA PRO 6 7.366 0.013 -0.333
27 HB2 PRO 6 HB3 PRO 6 9.557 -0.634 -1.791
28 HB3 PRO 6 HB2 PRO 6 8.026 -1.524 -1.912
29 HG2 PRO 6 HG2 PRO 6 9.263 0.336 -3.810
30 HG3 PRO 6 HG3 PRO 6 8.062 -0.934 -4.088
31 HD2 PRO 6 HD2 PRO 6 7.619 1.875 -3.871
32 HD3 PRO 6 HD3 PRO 6 6.409 0.594 -4.084
33 H LEU 7 HN LEU 7 9.508 0.277 0.724
34 HA LEU 7 HA LEU 7 10.779 2.938 0.158
35 HB2 LEU 7 HB3 LEU 7 9.230 2.028 2.392
36 HB3 LEU 7 HB2 LEU 7 10.890 2.280 2.934
37 HG LEU 7 HG LEU 7 10.888 4.547 2.066
38 HD11 LEU 7 1HD1 LEU 7 9.602 4.962 0.262
39 HD12 LEU 7 2HD1 LEU 7 8.200 4.975 1.331
40 HD13 LEU 7 3HD1 LEU 7 8.686 3.484 0.533
41 HD21 LEU 7 1HD2 LEU 7 8.628 5.321 3.290
42 HD22 LEU 7 2HD2 LEU 7 10.019 4.731 4.200
43 HD23 LEU 7 3HD2 LEU 7 8.667 3.650 3.857
44 H THR 8 HN THR 8 12.795 2.850 1.997
45 HA THR 8 HA THR 8 14.761 1.127 0.866
46 HB THR 8 HB THR 8 15.108 3.244 2.168
47 HG1 THR 8 HG1 THR 8 16.454 1.279 3.611
48 HG21 THR 8 1HG2 THR 8 14.048 3.431 4.144
49 HG22 THR 8 2HG2 THR 8 15.170 2.240 4.802
50 HG23 THR 8 3HG2 THR 8 13.630 1.719 4.122
51 H CYS 9 HN CYS 9 15.968 -0.575 2.286
52 HA CYS 9 HA CYS 9 13.994 -2.543 3.196
53 HB2 CYS 9 HB3 CYS 9 16.861 -2.409 2.480
54 HB3 CYS 9 HB2 CYS 9 16.438 -3.630 3.688
55 H HIS 10 HN HIS 10 15.334 0.078 4.659
56 HA HIS 10 HA HIS 10 15.804 -1.171 7.306
57 HB2 HIS 10 HB3 HIS 10 16.702 1.092 5.893
58 HB3 HIS 10 HB2 HIS 10 15.665 1.742 7.167
59 HD1 HIS 10 HD1 HIS 10 19.026 0.505 6.585
60 HD2 HIS 10 HD2 HIS 10 16.441 0.642 9.853
61 HE1 HIS 10 HE1 HIS 10 20.456 0.151 8.645
62 H CYS 11 HN CYS 11 13.376 0.470 5.454
63 HA CYS 11 HA CYS 11 11.661 1.036 7.794
64 HB2 CYS 11 HB3 CYS 11 11.191 2.747 6.380
65 HB3 CYS 11 HB2 CYS 11 12.050 1.954 5.064
66 H VAL 12 HN VAL 12 12.214 -1.428 5.476
67 HA VAL 12 HA VAL 12 10.261 -2.821 4.558
68 HB VAL 12 HB VAL 12 12.528 -3.650 5.496
69 HG11 VAL 12 1HG1 VAL 12 10.858 -4.953 7.617
70 HG12 VAL 12 2HG1 VAL 12 11.520 -3.346 7.917
71 HG13 VAL 12 3HG1 VAL 12 12.603 -4.695 7.570
72 HG21 VAL 12 1HG2 VAL 12 10.148 -4.994 4.615
73 HG22 VAL 12 2HG2 VAL 12 10.972 -6.010 5.796
74 HG23 VAL 12 3HG2 VAL 12 11.830 -5.458 4.358
75 H ILE 13 HN ILE 13 8.162 -2.094 5.075
76 HA ILE 13 HA ILE 13 7.172 -2.440 7.846
77 HB ILE 13 HB ILE 13 6.079 -1.366 5.245
78 HG12 ILE 13 HG13 ILE 13 7.677 0.000 6.611
79 HG13 ILE 13 HG12 ILE 13 6.085 0.745 6.460
80 HG21 ILE 13 1HG2 ILE 13 4.655 -2.133 7.755
81 HG22 ILE 13 2HG2 ILE 13 4.078 -2.154 6.088
82 HG23 ILE 13 3HG2 ILE 13 4.176 -0.628 6.968
83 HD11 ILE 13 1HD1 ILE 13 7.450 0.138 8.850
84 HD12 ILE 13 2HD1 ILE 13 6.144 -1.043 8.735
85 HD13 ILE 13 3HD1 ILE 13 5.781 0.682 8.691
86 H TYR 14 HN TYR 14 6.578 -4.488 8.423
87 HA TYR 14 HA TYR 14 6.175 -6.746 6.906
88 HB2 TYR 14 HB2 TYR 14 5.777 -5.936 9.518
89 HB3 TYR 14 HB3 TYR 14 4.148 -6.397 9.013
90 HD1 TYR 14 HD1 TYR 14 3.550 -8.677 8.714
91 HD2 TYR 14 HD2 TYR 14 7.672 -7.586 9.211
92 HE1 TYR 14 HE1 TYR 14 4.156 -11.072 8.938
93 HE2 TYR 14 HE2 TYR 14 8.280 -9.979 9.437
94 HH TYR 14 HH TYR 14 5.989 -12.413 9.954
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 10.791 -1.249 -4.506
2 H2 GLY 1 HT2 GLY 1 11.810 -2.560 -4.149
3 H3 GLY 1 HT3 GLY 1 12.474 -1.061 -4.592
4 HA2 GLY 1 HA2 GLY 1 12.701 -0.718 -2.410
5 HA3 GLY 1 HA1 GLY 1 10.975 -0.361 -2.477
6 H CYS 2 HN CYS 2 12.277 -1.476 -0.181
7 HA CYS 2 HA CYS 2 11.621 -4.350 -0.154
8 HB2 CYS 2 HB3 CYS 2 12.595 -2.514 2.046
9 HB3 CYS 2 HB2 CYS 2 12.736 -4.273 1.984
10 H CYS 3 HN CYS 3 10.592 -1.408 1.601
11 HA CYS 3 HA CYS 3 8.552 -2.645 3.188
12 HB2 CYS 3 HB3 CYS 3 8.407 0.161 2.045
13 HB3 CYS 3 HB2 CYS 3 7.850 -0.401 3.619
14 HA PRO 4 HA PRO 4 5.298 -3.179 0.260
15 HB2 PRO 4 HB3 PRO 4 3.060 -2.274 1.554
16 HB3 PRO 4 HB2 PRO 4 3.881 -3.787 1.992
17 HG2 PRO 4 HG2 PRO 4 3.937 -1.148 3.331
18 HG3 PRO 4 HG3 PRO 4 4.048 -2.772 4.024
19 HD2 PRO 4 HD2 PRO 4 6.180 -1.053 3.616
20 HD3 PRO 4 HD3 PRO 4 6.311 -2.809 3.852
21 H ALA 5 HN ALA 5 6.043 -0.062 1.439
22 HA ALA 5 HA ALA 5 4.287 1.714 0.227
23 HB1 ALA 5 HB1 ALA 5 7.057 1.637 1.136
24 HB2 ALA 5 HB2 ALA 5 5.854 2.915 1.318
25 HB3 ALA 5 HB3 ALA 5 6.806 2.803 -0.162
26 HA PRO 6 HA PRO 6 7.214 -0.312 -0.204
27 HB2 PRO 6 HB3 PRO 6 9.377 -0.904 -1.721
28 HB3 PRO 6 HB2 PRO 6 7.876 -1.845 -1.792
29 HG2 PRO 6 HG2 PRO 6 8.988 0.044 -3.737
30 HG3 PRO 6 HG3 PRO 6 7.843 -1.286 -3.972
31 HD2 PRO 6 HD2 PRO 6 7.267 1.495 -3.787
32 HD3 PRO 6 HD3 PRO 6 6.115 0.153 -3.929
33 H LEU 7 HN LEU 7 9.537 -0.028 0.609
34 HA LEU 7 HA LEU 7 10.708 2.633 -0.061
35 HB2 LEU 7 HB3 LEU 7 9.113 2.011 2.220
36 HB3 LEU 7 HB2 LEU 7 10.775 2.217 2.778
37 HG LEU 7 HG LEU 7 10.927 4.391 1.723
38 HD11 LEU 7 1HD1 LEU 7 8.305 3.544 0.528
39 HD12 LEU 7 2HD1 LEU 7 9.719 4.217 -0.278
40 HD13 LEU 7 3HD1 LEU 7 8.679 5.257 0.697
41 HD21 LEU 7 1HD2 LEU 7 10.023 4.865 3.784
42 HD22 LEU 7 2HD2 LEU 7 8.654 3.777 3.548
43 HD23 LEU 7 3HD2 LEU 7 8.651 5.374 2.799
44 H THR 8 HN THR 8 12.784 2.737 1.647
45 HA THR 8 HA THR 8 14.721 0.940 0.694
46 HB THR 8 HB THR 8 15.147 3.068 1.862
47 HG1 THR 8 HG1 THR 8 16.761 2.216 3.341
48 HG21 THR 8 1HG2 THR 8 13.659 3.319 3.599
49 HG22 THR 8 2HG2 THR 8 15.032 2.694 4.514
50 HG23 THR 8 3HG2 THR 8 13.726 1.613 4.032
51 H CYS 9 HN CYS 9 15.972 -0.659 2.171
52 HA CYS 9 HA CYS 9 14.098 -2.704 3.141
53 HB2 CYS 9 HB3 CYS 9 16.949 -2.413 2.412
54 HB3 CYS 9 HB2 CYS 9 16.635 -3.579 3.701
55 H HIS 10 HN HIS 10 15.494 0.006 4.537
56 HA HIS 10 HA HIS 10 15.914 -1.196 7.210
57 HB2 HIS 10 HB3 HIS 10 17.321 0.648 6.159
58 HB3 HIS 10 HB2 HIS 10 15.920 1.711 6.330
59 HD1 HIS 10 HD1 HIS 10 16.506 -0.834 8.979
60 HD2 HIS 10 HD2 HIS 10 17.334 3.205 8.361
61 HE1 HIS 10 HE1 HIS 10 17.207 0.105 11.224
62 H CYS 11 HN CYS 11 13.478 0.380 5.338
63 HA CYS 11 HA CYS 11 11.828 1.073 7.693
64 HB2 CYS 11 HB3 CYS 11 11.311 2.714 6.207
65 HB3 CYS 11 HB2 CYS 11 12.135 1.858 4.909
66 H VAL 12 HN VAL 12 12.163 -1.303 5.164
67 HA VAL 12 HA VAL 12 10.291 -2.829 4.469
68 HB VAL 12 HB VAL 12 12.526 -3.453 6.267
69 HG11 VAL 12 1HG1 VAL 12 10.080 -5.203 6.240
70 HG12 VAL 12 2HG1 VAL 12 11.176 -4.845 7.574
71 HG13 VAL 12 3HG1 VAL 12 11.677 -5.948 6.293
72 HG21 VAL 12 1HG2 VAL 12 11.564 -5.206 4.048
73 HG22 VAL 12 2HG2 VAL 12 13.206 -4.713 4.458
74 HG23 VAL 12 3HG2 VAL 12 12.125 -3.584 3.643
75 H ILE 13 HN ILE 13 8.209 -2.115 5.074
76 HA ILE 13 HA ILE 13 7.344 -2.544 7.892
77 HB ILE 13 HB ILE 13 6.119 -1.257 5.438
78 HG12 ILE 13 HG13 ILE 13 6.806 0.064 8.055
79 HG13 ILE 13 HG12 ILE 13 8.052 -0.198 6.835
80 HG21 ILE 13 1HG2 ILE 13 5.008 -1.653 8.223
81 HG22 ILE 13 2HG2 ILE 13 4.282 -2.146 6.694
82 HG23 ILE 13 3HG2 ILE 13 4.388 -0.435 7.107
83 HD11 ILE 13 1HD1 ILE 13 7.139 2.002 6.460
84 HD12 ILE 13 2HD1 ILE 13 5.489 1.383 6.520
85 HD13 ILE 13 3HD1 ILE 13 6.540 0.959 5.170
86 H TYR 14 HN TYR 14 5.305 -3.730 8.281
87 HA TYR 14 HA TYR 14 5.223 -6.319 7.087
88 HB2 TYR 14 HB2 TYR 14 2.969 -4.845 8.480
89 HB3 TYR 14 HB3 TYR 14 3.268 -6.587 8.470
90 HD1 TYR 14 HD1 TYR 14 3.352 -3.978 10.613
91 HD2 TYR 14 HD2 TYR 14 6.046 -6.927 9.031
92 HE1 TYR 14 HE1 TYR 14 4.789 -3.743 12.620
93 HE2 TYR 14 HE2 TYR 14 7.482 -6.692 11.040
94 HH TYR 14 HH TYR 14 6.461 -4.897 13.830
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 11.147 -5.286 -4.237
2 H2 GLY 1 HT2 GLY 1 12.310 -4.643 -3.178
3 H3 GLY 1 HT3 GLY 1 11.820 -3.760 -4.544
4 HA2 GLY 1 HA2 GLY 1 10.576 -2.705 -2.979
5 HA3 GLY 1 HA1 GLY 1 9.468 -3.996 -3.444
6 H CYS 2 HN CYS 2 11.476 -2.754 -0.908
7 HA CYS 2 HA CYS 2 11.314 -5.143 0.773
8 HB2 CYS 2 HB3 CYS 2 12.090 -2.274 1.370
9 HB3 CYS 2 HB2 CYS 2 12.471 -3.683 2.363
10 H CYS 3 HN CYS 3 10.333 -1.857 1.751
11 HA CYS 3 HA CYS 3 8.238 -2.808 3.485
12 HB2 CYS 3 HB3 CYS 3 8.163 -0.084 2.194
13 HB3 CYS 3 HB2 CYS 3 7.779 -0.530 3.850
14 HA PRO 4 HA PRO 4 4.892 -3.060 0.609
15 HB2 PRO 4 HB3 PRO 4 2.808 -1.757 1.814
16 HB3 PRO 4 HB2 PRO 4 3.437 -3.315 2.390
17 HG2 PRO 4 HG2 PRO 4 3.754 -0.624 3.532
18 HG3 PRO 4 HG3 PRO 4 3.832 -2.205 4.319
19 HD2 PRO 4 HD2 PRO 4 6.003 -0.560 3.570
20 HD3 PRO 4 HD3 PRO 4 6.085 -2.227 4.183
21 H ALA 5 HN ALA 5 6.257 -0.069 1.281
22 HA ALA 5 HA ALA 5 4.624 1.806 -0.089
23 HB1 ALA 5 HB1 ALA 5 6.287 2.895 1.011
24 HB2 ALA 5 HB2 ALA 5 7.214 2.645 -0.468
25 HB3 ALA 5 HB3 ALA 5 7.387 1.523 0.882
26 HA PRO 6 HA PRO 6 7.485 -0.299 -0.111
27 HB2 PRO 6 HB3 PRO 6 9.637 -1.245 -1.462
28 HB3 PRO 6 HB2 PRO 6 8.103 -2.131 -1.357
29 HG2 PRO 6 HG2 PRO 6 9.302 -0.754 -3.639
30 HG3 PRO 6 HG3 PRO 6 8.036 -1.990 -3.603
31 HD2 PRO 6 HD2 PRO 6 7.744 0.853 -3.917
32 HD3 PRO 6 HD3 PRO 6 6.481 -0.397 -3.932
33 H LEU 7 HN LEU 7 9.443 0.318 0.956
34 HA LEU 7 HA LEU 7 10.785 2.744 -0.199
35 HB2 LEU 7 HB3 LEU 7 9.303 2.217 2.227
36 HB3 LEU 7 HB2 LEU 7 10.952 2.706 2.626
37 HG LEU 7 HG LEU 7 10.720 4.708 1.238
38 HD11 LEU 7 1HD1 LEU 7 8.930 5.096 -0.173
39 HD12 LEU 7 2HD1 LEU 7 7.803 4.194 0.841
40 HD13 LEU 7 3HD1 LEU 7 8.929 3.336 -0.205
41 HD21 LEU 7 1HD2 LEU 7 9.436 5.913 2.754
42 HD22 LEU 7 2HD2 LEU 7 9.693 4.433 3.677
43 HD23 LEU 7 3HD2 LEU 7 8.172 4.684 2.819
44 H THR 8 HN THR 8 12.893 2.996 1.524
45 HA THR 8 HA THR 8 14.875 1.236 0.708
46 HB THR 8 HB THR 8 15.271 3.270 2.014
47 HG1 THR 8 HG1 THR 8 16.942 1.892 2.228
48 HG21 THR 8 1HG2 THR 8 14.217 1.778 4.422
49 HG22 THR 8 2HG2 THR 8 13.225 2.892 3.482
50 HG23 THR 8 3HG2 THR 8 14.663 3.480 4.318
51 H CYS 9 HN CYS 9 15.922 -0.611 1.943
52 HA CYS 9 HA CYS 9 13.874 -2.517 2.765
53 HB2 CYS 9 HB3 CYS 9 16.522 -2.522 1.744
54 HB3 CYS 9 HB2 CYS 9 16.545 -3.418 3.268
55 H HIS 10 HN HIS 10 15.386 -0.067 4.406
56 HA HIS 10 HA HIS 10 15.621 -1.526 6.983
57 HB2 HIS 10 HB3 HIS 10 16.672 0.863 5.723
58 HB3 HIS 10 HB2 HIS 10 15.949 1.273 7.283
59 HD1 HIS 10 HD1 HIS 10 16.801 -0.257 9.363
60 HD2 HIS 10 HD2 HIS 10 19.153 -0.361 5.922
61 HE1 HIS 10 HE1 HIS 10 19.044 -1.210 10.057
62 H CYS 11 HN CYS 11 13.377 0.277 5.138
63 HA CYS 11 HA CYS 11 11.767 1.198 7.436
64 HB2 CYS 11 HB3 CYS 11 11.385 2.789 5.858
65 HB3 CYS 11 HB2 CYS 11 12.225 1.823 4.650
66 H VAL 12 HN VAL 12 12.077 -1.581 5.486
67 HA VAL 12 HA VAL 12 9.885 -2.781 4.712
68 HB VAL 12 HB VAL 12 12.055 -3.867 5.393
69 HG11 VAL 12 1HG1 VAL 12 12.557 -4.319 7.567
70 HG12 VAL 12 2HG1 VAL 12 10.885 -4.710 7.972
71 HG13 VAL 12 3HG1 VAL 12 11.406 -3.027 7.910
72 HG21 VAL 12 1HG2 VAL 12 11.051 -5.874 5.050
73 HG22 VAL 12 2HG2 VAL 12 9.547 -4.954 4.986
74 HG23 VAL 12 3HG2 VAL 12 10.052 -5.714 6.495
75 H ILE 13 HN ILE 13 7.937 -1.759 5.375
76 HA ILE 13 HA ILE 13 7.131 -1.927 8.222
77 HB ILE 13 HB ILE 13 6.081 -0.725 5.664
78 HG12 ILE 13 HG13 ILE 13 6.016 0.880 8.083
79 HG13 ILE 13 HG12 ILE 13 7.612 0.169 7.844
80 HG21 ILE 13 1HG2 ILE 13 4.026 -1.491 6.501
81 HG22 ILE 13 2HG2 ILE 13 4.159 0.114 7.221
82 HG23 ILE 13 3HG2 ILE 13 4.538 -1.317 8.180
83 HD11 ILE 13 1HD1 ILE 13 6.728 1.051 5.298
84 HD12 ILE 13 2HD1 ILE 13 8.034 1.724 6.275
85 HD13 ILE 13 3HD1 ILE 13 6.396 2.361 6.430
86 H TYR 14 HN TYR 14 7.442 -4.235 6.083
87 HA TYR 14 HA TYR 14 6.412 -6.326 5.757
88 HB2 TYR 14 HB2 TYR 14 6.257 -6.023 8.271
89 HB3 TYR 14 HB3 TYR 14 4.622 -5.398 8.025
90 HD1 TYR 14 HD1 TYR 14 2.819 -6.850 7.216
91 HD2 TYR 14 HD2 TYR 14 6.781 -8.372 7.885
92 HE1 TYR 14 HE1 TYR 14 1.948 -9.170 7.100
93 HE2 TYR 14 HE2 TYR 14 5.911 -10.690 7.768
94 HH TYR 14 HH TYR 14 2.992 -11.496 6.498
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 10.590 -7.722 -0.156
2 H2 GLY 1 HT2 GLY 1 10.029 -7.797 1.445
3 H3 GLY 1 HT3 GLY 1 10.716 -9.170 0.718
4 HA2 GLY 1 HA2 GLY 1 12.402 -8.365 2.088
5 HA3 GLY 1 HA1 GLY 1 12.820 -7.798 0.470
6 H CYS 2 HN CYS 2 11.494 -5.610 -0.027
7 HA CYS 2 HA CYS 2 12.359 -3.726 2.077
8 HB2 CYS 2 HB3 CYS 2 11.807 -3.758 -0.818
9 HB3 CYS 2 HB2 CYS 2 11.304 -2.270 -0.011
10 H CYS 3 HN CYS 3 10.482 -1.642 1.605
11 HA CYS 3 HA CYS 3 8.210 -2.641 3.190
12 HB2 CYS 3 HB3 CYS 3 8.305 0.123 2.024
13 HB3 CYS 3 HB2 CYS 3 7.789 -0.392 3.623
14 HA PRO 4 HA PRO 4 5.380 -3.064 -0.154
15 HB2 PRO 4 HB3 PRO 4 3.042 -2.230 0.998
16 HB3 PRO 4 HB2 PRO 4 3.819 -3.773 1.412
17 HG2 PRO 4 HG2 PRO 4 3.805 -1.202 2.898
18 HG3 PRO 4 HG3 PRO 4 3.778 -2.861 3.510
19 HD2 PRO 4 HD2 PRO 4 6.014 -1.256 3.453
20 HD3 PRO 4 HD3 PRO 4 6.049 -3.034 3.496
21 H ALA 5 HN ALA 5 5.880 -0.027 1.398
22 HA ALA 5 HA ALA 5 4.327 1.878 0.231
23 HB1 ALA 5 HB1 ALA 5 6.809 2.964 -0.099
24 HB2 ALA 5 HB2 ALA 5 7.162 1.624 0.992
25 HB3 ALA 5 HB3 ALA 5 5.980 2.849 1.451
26 HA PRO 6 HA PRO 6 7.212 -0.142 -0.322
27 HB2 PRO 6 HB3 PRO 6 9.333 -0.728 -1.907
28 HB3 PRO 6 HB2 PRO 6 7.819 -1.652 -1.945
29 HG2 PRO 6 HG2 PRO 6 8.909 0.224 -3.908
30 HG3 PRO 6 HG3 PRO 6 7.694 -1.047 -4.110
31 HD2 PRO 6 HD2 PRO 6 7.272 1.771 -3.831
32 HD3 PRO 6 HD3 PRO 6 6.055 0.492 -4.026
33 H LEU 7 HN LEU 7 9.418 0.149 0.598
34 HA LEU 7 HA LEU 7 10.711 2.757 -0.090
35 HB2 LEU 7 HB3 LEU 7 9.053 2.164 2.158
36 HB3 LEU 7 HB2 LEU 7 10.706 2.335 2.749
37 HG LEU 7 HG LEU 7 10.920 4.519 1.761
38 HD11 LEU 7 1HD1 LEU 7 8.729 5.400 0.592
39 HD12 LEU 7 2HD1 LEU 7 8.411 3.687 0.343
40 HD13 LEU 7 3HD1 LEU 7 9.871 4.415 -0.322
41 HD21 LEU 7 1HD2 LEU 7 9.304 5.741 3.028
42 HD22 LEU 7 2HD2 LEU 7 9.540 4.231 3.907
43 HD23 LEU 7 3HD2 LEU 7 8.113 4.447 2.893
44 H THR 8 HN THR 8 12.860 2.857 1.342
45 HA THR 8 HA THR 8 14.683 0.925 0.563
46 HB THR 8 HB THR 8 15.047 3.116 1.801
47 HG1 THR 8 HG1 THR 8 16.936 2.229 1.811
48 HG21 THR 8 1HG2 THR 8 13.634 1.654 3.820
49 HG22 THR 8 2HG2 THR 8 14.179 3.330 3.859
50 HG23 THR 8 3HG2 THR 8 15.244 2.043 4.426
51 H CYS 9 HN CYS 9 15.593 -0.976 1.664
52 HA CYS 9 HA CYS 9 13.551 -2.647 2.876
53 HB2 CYS 9 HB3 CYS 9 16.424 -2.872 2.067
54 HB3 CYS 9 HB2 CYS 9 15.736 -4.123 3.111
55 H HIS 10 HN HIS 10 15.311 -0.201 4.203
56 HA HIS 10 HA HIS 10 15.896 -1.539 6.782
57 HB2 HIS 10 HB3 HIS 10 16.808 0.722 5.306
58 HB3 HIS 10 HB2 HIS 10 16.108 1.336 6.808
59 HD1 HIS 10 HD1 HIS 10 16.958 -0.117 9.035
60 HD2 HIS 10 HD2 HIS 10 19.398 -0.165 5.655
61 HE1 HIS 10 HE1 HIS 10 19.249 -0.860 9.816
62 H CYS 11 HN CYS 11 13.368 0.147 5.194
63 HA CYS 11 HA CYS 11 12.038 1.031 7.682
64 HB2 CYS 11 HB3 CYS 11 11.328 2.596 6.202
65 HB3 CYS 11 HB2 CYS 11 12.119 1.726 4.892
66 H VAL 12 HN VAL 12 11.685 -1.309 5.071
67 HA VAL 12 HA VAL 12 9.916 -2.895 4.716
68 HB VAL 12 HB VAL 12 12.105 -3.693 5.897
69 HG11 VAL 12 1HG1 VAL 12 11.003 -2.958 8.178
70 HG12 VAL 12 2HG1 VAL 12 11.983 -4.422 8.104
71 HG13 VAL 12 3HG1 VAL 12 10.223 -4.537 8.076
72 HG21 VAL 12 1HG2 VAL 12 10.755 -5.194 4.584
73 HG22 VAL 12 2HG2 VAL 12 9.519 -5.270 5.838
74 HG23 VAL 12 3HG2 VAL 12 11.098 -6.006 6.111
75 H ILE 13 HN ILE 13 7.854 -1.929 5.039
76 HA ILE 13 HA ILE 13 6.848 -1.699 7.822
77 HB ILE 13 HB ILE 13 5.436 -1.243 5.177
78 HG12 ILE 13 HG13 ILE 13 7.580 0.056 5.404
79 HG13 ILE 13 HG12 ILE 13 6.146 1.077 5.331
80 HG21 ILE 13 1HG2 ILE 13 3.964 0.178 6.482
81 HG22 ILE 13 2HG2 ILE 13 4.956 -0.054 7.923
82 HG23 ILE 13 3HG2 ILE 13 4.041 -1.406 7.254
83 HD11 ILE 13 1HD1 ILE 13 6.382 0.575 8.038
84 HD12 ILE 13 2HD1 ILE 13 6.949 2.032 7.223
85 HD13 ILE 13 3HD1 ILE 13 8.064 0.699 7.524
86 H TYR 14 HN TYR 14 7.530 -4.349 6.982
87 HA TYR 14 HA TYR 14 5.281 -5.851 7.779
88 HB2 TYR 14 HB2 TYR 14 5.098 -4.786 5.150
89 HB3 TYR 14 HB3 TYR 14 5.369 -6.524 4.975
90 HD1 TYR 14 HD1 TYR 14 4.075 -7.469 7.525
91 HD2 TYR 14 HD2 TYR 14 2.795 -4.604 4.593
92 HE1 TYR 14 HE1 TYR 14 1.710 -7.897 8.137
93 HE2 TYR 14 HE2 TYR 14 0.432 -5.032 5.205
94 HH TYR 14 HH TYR 14 -0.811 -7.203 6.324
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 13.183 -0.563 -3.927
2 H2 GLY 1 HT2 GLY 1 12.899 -2.152 -4.456
3 H3 GLY 1 HT3 GLY 1 13.538 -1.872 -2.908
4 HA2 GLY 1 HA2 GLY 1 11.338 -0.487 -2.621
5 HA3 GLY 1 HA1 GLY 1 10.785 -1.609 -3.867
6 H CYS 2 HN CYS 2 12.175 -1.427 -0.614
7 HA CYS 2 HA CYS 2 11.740 -4.308 -0.155
8 HB2 CYS 2 HB3 CYS 2 13.341 -2.184 0.871
9 HB3 CYS 2 HB2 CYS 2 12.376 -2.825 2.205
10 H CYS 3 HN CYS 3 10.727 -1.400 1.683
11 HA CYS 3 HA CYS 3 8.616 -2.663 3.115
12 HB2 CYS 3 HB3 CYS 3 8.483 0.199 2.121
13 HB3 CYS 3 HB2 CYS 3 7.913 -0.449 3.652
14 HA PRO 4 HA PRO 4 5.440 -3.057 0.075
15 HB2 PRO 4 HB3 PRO 4 3.178 -2.225 1.372
16 HB3 PRO 4 HB2 PRO 4 3.987 -3.764 1.740
17 HG2 PRO 4 HG2 PRO 4 4.061 -1.186 3.212
18 HG3 PRO 4 HG3 PRO 4 4.081 -2.843 3.831
19 HD2 PRO 4 HD2 PRO 4 6.299 -1.234 3.623
20 HD3 PRO 4 HD3 PRO 4 6.348 -3.009 3.663
21 H ALA 5 HN ALA 5 6.090 -0.012 1.517
22 HA ALA 5 HA ALA 5 4.409 1.857 0.419
23 HB1 ALA 5 HB1 ALA 5 6.069 2.818 1.645
24 HB2 ALA 5 HB2 ALA 5 6.810 3.047 0.062
25 HB3 ALA 5 HB3 ALA 5 7.289 1.682 1.069
26 HA PRO 6 HA PRO 6 7.292 -0.151 -0.235
27 HB2 PRO 6 HB3 PRO 6 9.348 -0.754 -1.901
28 HB3 PRO 6 HB2 PRO 6 7.817 -1.653 -1.904
29 HG2 PRO 6 HG2 PRO 6 8.872 0.236 -3.873
30 HG3 PRO 6 HG3 PRO 6 7.632 -1.015 -4.054
31 HD2 PRO 6 HD2 PRO 6 7.263 1.804 -3.719
32 HD3 PRO 6 HD3 PRO 6 6.021 0.546 -3.894
33 H LEU 7 HN LEU 7 9.498 0.132 0.654
34 HA LEU 7 HA LEU 7 10.789 2.741 -0.064
35 HB2 LEU 7 HB3 LEU 7 9.252 2.068 2.259
36 HB3 LEU 7 HB2 LEU 7 10.934 2.285 2.747
37 HG LEU 7 HG LEU 7 11.016 4.481 1.746
38 HD11 LEU 7 1HD1 LEU 7 8.568 5.221 0.877
39 HD12 LEU 7 2HD1 LEU 7 8.518 3.509 0.470
40 HD13 LEU 7 3HD1 LEU 7 9.789 4.531 -0.192
41 HD21 LEU 7 1HD2 LEU 7 10.133 4.667 3.925
42 HD22 LEU 7 2HD2 LEU 7 8.616 3.890 3.475
43 HD23 LEU 7 3HD2 LEU 7 8.952 5.537 2.946
44 H THR 8 HN THR 8 12.818 2.672 1.834
45 HA THR 8 HA THR 8 14.727 0.864 0.749
46 HB THR 8 HB THR 8 15.129 2.995 2.005
47 HG1 THR 8 HG1 THR 8 16.950 2.209 3.055
48 HG21 THR 8 1HG2 THR 8 14.173 3.264 4.024
49 HG22 THR 8 2HG2 THR 8 15.168 1.950 4.656
50 HG23 THR 8 3HG2 THR 8 13.581 1.604 3.972
51 H CYS 9 HN CYS 9 15.934 -0.765 2.280
52 HA CYS 9 HA CYS 9 13.973 -2.763 3.164
53 HB2 CYS 9 HB3 CYS 9 16.986 -2.604 2.955
54 HB3 CYS 9 HB2 CYS 9 16.153 -4.032 3.577
55 H HIS 10 HN HIS 10 15.360 -0.105 4.621
56 HA HIS 10 HA HIS 10 15.711 -1.319 7.298
57 HB2 HIS 10 HB3 HIS 10 16.999 0.641 6.030
58 HB3 HIS 10 HB2 HIS 10 15.701 1.625 6.712
59 HD1 HIS 10 HD1 HIS 10 18.737 1.750 7.643
60 HD2 HIS 10 HD2 HIS 10 15.691 -0.327 9.588
61 HE1 HIS 10 HE1 HIS 10 19.474 1.493 10.051
62 H CYS 11 HN CYS 11 13.369 0.436 5.411
63 HA CYS 11 HA CYS 11 11.686 1.094 7.750
64 HB2 CYS 11 HB3 CYS 11 11.189 2.794 6.344
65 HB3 CYS 11 HB2 CYS 11 12.155 2.042 5.078
66 H VAL 12 HN VAL 12 12.153 -1.504 5.624
67 HA VAL 12 HA VAL 12 10.104 -2.767 4.666
68 HB VAL 12 HB VAL 12 12.324 -3.678 5.724
69 HG11 VAL 12 1HG1 VAL 12 11.314 -3.389 8.084
70 HG12 VAL 12 2HG1 VAL 12 12.136 -4.909 7.733
71 HG13 VAL 12 3HG1 VAL 12 10.374 -4.835 7.714
72 HG21 VAL 12 1HG2 VAL 12 9.822 -5.361 5.418
73 HG22 VAL 12 2HG2 VAL 12 11.466 -5.996 5.434
74 HG23 VAL 12 3HG2 VAL 12 10.949 -4.921 4.135
75 H ILE 13 HN ILE 13 8.009 -2.018 5.095
76 HA ILE 13 HA ILE 13 6.989 -2.198 7.886
77 HB ILE 13 HB ILE 13 5.662 -1.287 5.315
78 HG12 ILE 13 HG13 ILE 13 7.728 -0.002 5.891
79 HG13 ILE 13 HG12 ILE 13 6.266 0.976 6.024
80 HG21 ILE 13 1HG2 ILE 13 4.884 -0.219 7.969
81 HG22 ILE 13 2HG2 ILE 13 4.457 -1.904 7.666
82 HG23 ILE 13 3HG2 ILE 13 3.878 -0.639 6.582
83 HD11 ILE 13 1HD1 ILE 13 7.686 1.349 7.983
84 HD12 ILE 13 2HD1 ILE 13 7.717 -0.384 8.312
85 HD13 ILE 13 3HD1 ILE 13 6.208 0.516 8.465
86 H TYR 14 HN TYR 14 6.522 -4.324 8.394
87 HA TYR 14 HA TYR 14 5.683 -6.358 6.601
88 HB2 TYR 14 HB2 TYR 14 6.573 -6.499 8.982
89 HB3 TYR 14 HB3 TYR 14 4.950 -6.062 9.527
90 HD1 TYR 14 HD1 TYR 14 7.086 -8.706 8.302
91 HD2 TYR 14 HD2 TYR 14 2.989 -7.546 8.865
92 HE1 TYR 14 HE1 TYR 14 6.386 -11.073 8.073
93 HE2 TYR 14 HE2 TYR 14 2.288 -9.914 8.637
94 HH TYR 14 HH TYR 14 3.034 -12.058 8.608
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 13.454 -2.004 -2.982
2 H2 GLY 1 HT2 GLY 1 13.323 -0.322 -2.780
3 H3 GLY 1 HT3 GLY 1 12.922 -1.035 -4.269
4 HA2 GLY 1 HA2 GLY 1 11.173 -0.422 -2.276
5 HA3 GLY 1 HA1 GLY 1 10.859 -1.506 -3.631
6 H CYS 2 HN CYS 2 12.146 -1.443 -0.313
7 HA CYS 2 HA CYS 2 11.904 -4.378 -0.098
8 HB2 CYS 2 HB3 CYS 2 13.425 -2.298 1.067
9 HB3 CYS 2 HB2 CYS 2 12.442 -2.978 2.368
10 H CYS 3 HN CYS 3 10.520 -1.519 1.538
11 HA CYS 3 HA CYS 3 8.542 -3.092 3.002
12 HB2 CYS 3 HB3 CYS 3 8.010 -0.213 2.389
13 HB3 CYS 3 HB2 CYS 3 7.913 -1.061 3.928
14 HA PRO 4 HA PRO 4 5.389 -3.236 -0.077
15 HB2 PRO 4 HB3 PRO 4 3.110 -2.518 1.262
16 HB3 PRO 4 HB2 PRO 4 3.920 -4.081 1.509
17 HG2 PRO 4 HG2 PRO 4 3.967 -1.638 3.193
18 HG3 PRO 4 HG3 PRO 4 3.996 -3.340 3.666
19 HD2 PRO 4 HD2 PRO 4 6.202 -1.697 3.617
20 HD3 PRO 4 HD3 PRO 4 6.265 -3.471 3.516
21 H ALA 5 HN ALA 5 5.997 -0.328 1.644
22 HA ALA 5 HA ALA 5 4.387 1.668 0.729
23 HB1 ALA 5 HB1 ALA 5 7.231 1.320 1.357
24 HB2 ALA 5 HB2 ALA 5 6.105 2.565 1.899
25 HB3 ALA 5 HB3 ALA 5 6.902 2.717 0.334
26 HA PRO 6 HA PRO 6 7.227 -0.300 -0.129
27 HB2 PRO 6 HB3 PRO 6 9.156 -0.912 -1.935
28 HB3 PRO 6 HB2 PRO 6 7.596 -1.756 -1.883
29 HG2 PRO 6 HG2 PRO 6 8.613 0.128 -3.861
30 HG3 PRO 6 HG3 PRO 6 7.272 -1.022 -3.978
31 HD2 PRO 6 HD2 PRO 6 7.166 1.818 -3.486
32 HD3 PRO 6 HD3 PRO 6 5.822 0.677 -3.718
33 H LEU 7 HN LEU 7 9.174 0.144 0.989
34 HA LEU 7 HA LEU 7 10.615 2.625 0.089
35 HB2 LEU 7 HB3 LEU 7 9.174 1.937 2.483
36 HB3 LEU 7 HB2 LEU 7 10.868 2.233 2.882
37 HG LEU 7 HG LEU 7 10.801 4.399 1.766
38 HD11 LEU 7 1HD1 LEU 7 7.935 4.538 1.307
39 HD12 LEU 7 2HD1 LEU 7 8.669 3.242 0.369
40 HD13 LEU 7 3HD1 LEU 7 9.258 4.892 0.198
41 HD21 LEU 7 1HD2 LEU 7 10.071 5.115 3.781
42 HD22 LEU 7 2HD2 LEU 7 9.075 3.676 3.993
43 HD23 LEU 7 3HD2 LEU 7 8.437 5.071 3.123
44 H THR 8 HN THR 8 12.714 2.532 1.884
45 HA THR 8 HA THR 8 14.503 0.625 0.712
46 HB THR 8 HB THR 8 15.136 2.805 1.668
47 HG1 THR 8 HG1 THR 8 16.958 1.826 1.914
48 HG21 THR 8 1HG2 THR 8 14.911 3.345 3.938
49 HG22 THR 8 2HG2 THR 8 14.760 1.658 4.423
50 HG23 THR 8 3HG2 THR 8 13.421 2.462 3.608
51 H CYS 9 HN CYS 9 15.808 -0.957 2.101
52 HA CYS 9 HA CYS 9 14.034 -2.888 3.362
53 HB2 CYS 9 HB3 CYS 9 17.039 -2.615 3.048
54 HB3 CYS 9 HB2 CYS 9 16.257 -4.050 3.717
55 H HIS 10 HN HIS 10 15.454 -0.059 4.485
56 HA HIS 10 HA HIS 10 15.921 -1.013 7.246
57 HB2 HIS 10 HB3 HIS 10 16.908 1.013 5.612
58 HB3 HIS 10 HB2 HIS 10 15.827 1.878 6.709
59 HD1 HIS 10 HD1 HIS 10 16.453 1.938 9.212
60 HD2 HIS 10 HD2 HIS 10 19.152 -0.230 6.888
61 HE1 HIS 10 HE1 HIS 10 18.475 1.508 10.676
62 H CYS 11 HN CYS 11 13.430 0.324 5.261
63 HA CYS 11 HA CYS 11 11.821 1.283 7.548
64 HB2 CYS 11 HB3 CYS 11 11.263 2.709 5.871
65 HB3 CYS 11 HB2 CYS 11 12.048 1.684 4.674
66 H VAL 12 HN VAL 12 11.865 -1.266 5.101
67 HA VAL 12 HA VAL 12 9.955 -2.843 4.769
68 HB VAL 12 HB VAL 12 12.323 -3.421 6.468
69 HG11 VAL 12 1HG1 VAL 12 11.381 -5.934 6.334
70 HG12 VAL 12 2HG1 VAL 12 9.845 -5.088 6.512
71 HG13 VAL 12 3HG1 VAL 12 11.097 -4.909 7.741
72 HG21 VAL 12 1HG2 VAL 12 11.349 -3.842 3.782
73 HG22 VAL 12 2HG2 VAL 12 11.865 -5.373 4.487
74 HG23 VAL 12 3HG2 VAL 12 12.989 -4.017 4.407
75 H ILE 13 HN ILE 13 8.053 -1.767 5.675
76 HA ILE 13 HA ILE 13 7.539 -2.202 8.572
77 HB ILE 13 HB ILE 13 7.099 -0.056 7.276
78 HG12 ILE 13 HG13 ILE 13 4.890 -1.470 8.795
79 HG13 ILE 13 HG12 ILE 13 6.069 -0.320 9.429
80 HG21 ILE 13 1HG2 ILE 13 5.916 -1.706 5.457
81 HG22 ILE 13 2HG2 ILE 13 5.565 0.015 5.585
82 HG23 ILE 13 3HG2 ILE 13 4.507 -1.161 6.364
83 HD11 ILE 13 1HD1 ILE 13 3.803 0.689 9.046
84 HD12 ILE 13 2HD1 ILE 13 3.998 0.362 7.324
85 HD13 ILE 13 3HD1 ILE 13 5.089 1.484 8.136
86 H TYR 14 HN TYR 14 6.487 -3.457 5.454
87 HA TYR 14 HA TYR 14 5.115 -5.683 6.801
88 HB2 TYR 14 HB2 TYR 14 3.731 -3.371 5.481
89 HB3 TYR 14 HB3 TYR 14 3.007 -4.976 5.349
90 HD1 TYR 14 HD1 TYR 14 3.705 -6.198 7.930
91 HD2 TYR 14 HD2 TYR 14 2.411 -2.202 7.033
92 HE1 TYR 14 HE1 TYR 14 2.798 -5.974 10.228
93 HE2 TYR 14 HE2 TYR 14 1.505 -1.977 9.330
94 HH TYR 14 HH TYR 14 1.867 -2.988 11.556
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 9.867 -6.656 -1.741
2 H2 GLY 1 HT2 GLY 1 11.011 -7.829 -2.189
3 H3 GLY 1 HT3 GLY 1 10.255 -6.878 -3.376
4 HA2 GLY 1 HA2 GLY 1 12.649 -6.303 -2.623
5 HA3 GLY 1 HA1 GLY 1 11.477 -5.013 -2.893
6 H CYS 2 HN CYS 2 11.783 -3.515 -1.316
7 HA CYS 2 HA CYS 2 12.617 -4.332 1.396
8 HB2 CYS 2 HB3 CYS 2 12.071 -1.663 0.066
9 HB3 CYS 2 HB2 CYS 2 12.801 -1.870 1.656
10 H CYS 3 HN CYS 3 10.653 -1.526 1.397
11 HA CYS 3 HA CYS 3 8.652 -2.844 3.098
12 HB2 CYS 3 HB3 CYS 3 8.340 -0.057 2.016
13 HB3 CYS 3 HB2 CYS 3 7.986 -0.666 3.628
14 HA PRO 4 HA PRO 4 5.581 -3.327 -0.033
15 HB2 PRO 4 HB3 PRO 4 3.276 -2.706 1.300
16 HB3 PRO 4 HB2 PRO 4 4.197 -4.192 1.617
17 HG2 PRO 4 HG2 PRO 4 4.015 -1.709 3.208
18 HG3 PRO 4 HG3 PRO 4 4.296 -3.374 3.734
19 HD2 PRO 4 HD2 PRO 4 6.237 -1.378 3.470
20 HD3 PRO 4 HD3 PRO 4 6.541 -3.121 3.644
21 H ALA 5 HN ALA 5 5.940 -0.305 1.590
22 HA ALA 5 HA ALA 5 4.190 1.518 0.576
23 HB1 ALA 5 HB1 ALA 5 5.800 2.688 1.637
24 HB2 ALA 5 HB2 ALA 5 6.679 2.679 0.109
25 HB3 ALA 5 HB3 ALA 5 7.002 1.436 1.317
26 HA PRO 6 HA PRO 6 7.185 -0.248 -0.176
27 HB2 PRO 6 HB3 PRO 6 9.267 -0.623 -1.870
28 HB3 PRO 6 HB2 PRO 6 7.823 -1.655 -1.875
29 HG2 PRO 6 HG2 PRO 6 8.684 0.349 -3.823
30 HG3 PRO 6 HG3 PRO 6 7.545 -0.993 -4.008
31 HD2 PRO 6 HD2 PRO 6 6.960 1.785 -3.603
32 HD3 PRO 6 HD3 PRO 6 5.820 0.438 -3.808
33 H LEU 7 HN LEU 7 9.469 0.145 0.576
34 HA LEU 7 HA LEU 7 10.478 2.894 -0.030
35 HB2 LEU 7 HB3 LEU 7 9.077 2.019 2.297
36 HB3 LEU 7 HB2 LEU 7 10.758 2.290 2.763
37 HG LEU 7 HG LEU 7 10.705 4.544 1.893
38 HD11 LEU 7 1HD1 LEU 7 8.385 5.340 1.012
39 HD12 LEU 7 2HD1 LEU 7 8.076 3.626 0.754
40 HD13 LEU 7 3HD1 LEU 7 9.418 4.411 -0.073
41 HD21 LEU 7 1HD2 LEU 7 9.615 4.003 4.153
42 HD22 LEU 7 2HD2 LEU 7 8.066 4.156 3.324
43 HD23 LEU 7 3HD2 LEU 7 9.156 5.539 3.418
44 H THR 8 HN THR 8 12.480 2.664 2.107
45 HA THR 8 HA THR 8 14.452 1.056 0.683
46 HB THR 8 HB THR 8 14.895 3.220 1.844
47 HG1 THR 8 HG1 THR 8 16.771 2.432 2.974
48 HG21 THR 8 1HG2 THR 8 13.350 2.768 3.762
49 HG22 THR 8 2HG2 THR 8 14.949 3.314 4.269
50 HG23 THR 8 3HG2 THR 8 14.523 1.607 4.380
51 H CYS 9 HN CYS 9 15.588 -0.795 1.621
52 HA CYS 9 HA CYS 9 13.863 -2.712 2.910
53 HB2 CYS 9 HB3 CYS 9 16.732 -2.491 2.072
54 HB3 CYS 9 HB2 CYS 9 16.262 -3.837 3.120
55 H HIS 10 HN HIS 10 15.459 -0.072 4.215
56 HA HIS 10 HA HIS 10 16.089 -1.333 6.814
57 HB2 HIS 10 HB3 HIS 10 16.643 1.134 5.333
58 HB3 HIS 10 HB2 HIS 10 16.211 1.457 7.015
59 HD1 HIS 10 HD1 HIS 10 17.603 -0.068 8.826
60 HD2 HIS 10 HD2 HIS 10 19.257 0.282 5.014
61 HE1 HIS 10 HE1 HIS 10 20.034 -0.744 9.035
62 H CYS 11 HN CYS 11 13.518 0.244 5.152
63 HA CYS 11 HA CYS 11 12.038 0.962 7.612
64 HB2 CYS 11 HB3 CYS 11 11.351 2.556 6.142
65 HB3 CYS 11 HB2 CYS 11 12.179 1.732 4.824
66 H VAL 12 HN VAL 12 11.938 -1.252 4.870
67 HA VAL 12 HA VAL 12 10.180 -2.871 4.385
68 HB VAL 12 HB VAL 12 12.440 -3.473 6.146
69 HG11 VAL 12 1HG1 VAL 12 11.501 -5.951 6.302
70 HG12 VAL 12 2HG1 VAL 12 9.940 -5.131 6.311
71 HG13 VAL 12 3HG1 VAL 12 11.127 -4.780 7.567
72 HG21 VAL 12 1HG2 VAL 12 11.154 -4.584 3.665
73 HG22 VAL 12 2HG2 VAL 12 12.448 -5.468 4.475
74 HG23 VAL 12 3HG2 VAL 12 12.743 -3.844 3.857
75 H ILE 13 HN ILE 13 8.131 -2.041 5.010
76 HA ILE 13 HA ILE 13 7.322 -2.473 7.854
77 HB ILE 13 HB ILE 13 5.940 -1.062 5.547
78 HG12 ILE 13 HG13 ILE 13 7.441 0.179 7.866
79 HG13 ILE 13 HG12 ILE 13 8.205 -0.139 6.308
80 HG21 ILE 13 1HG2 ILE 13 4.608 -0.019 7.353
81 HG22 ILE 13 2HG2 ILE 13 5.466 -0.995 8.544
82 HG23 ILE 13 3HG2 ILE 13 4.419 -1.772 7.356
83 HD11 ILE 13 1HD1 ILE 13 5.593 1.311 6.299
84 HD12 ILE 13 2HD1 ILE 13 6.975 1.482 5.217
85 HD13 ILE 13 3HD1 ILE 13 7.023 2.199 6.828
86 H TYR 14 HN TYR 14 5.157 -3.465 8.218
87 HA TYR 14 HA TYR 14 4.864 -5.946 6.747
88 HB2 TYR 14 HB2 TYR 14 3.803 -4.574 9.118
89 HB3 TYR 14 HB3 TYR 14 2.596 -5.576 8.304
90 HD1 TYR 14 HD1 TYR 14 5.789 -5.559 10.125
91 HD2 TYR 14 HD2 TYR 14 2.924 -7.997 8.049
92 HE1 TYR 14 HE1 TYR 14 6.834 -7.597 11.072
93 HE2 TYR 14 HE2 TYR 14 3.971 -10.035 8.995
94 HH TYR 14 HH TYR 14 6.964 -9.872 10.844
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 13.354 -2.882 -3.645
2 H2 GLY 1 HT2 GLY 1 12.330 -2.614 -4.975
3 H3 GLY 1 HT3 GLY 1 12.213 -4.058 -4.087
4 HA2 GLY 1 HA2 GLY 1 11.759 -1.435 -2.806
5 HA3 GLY 1 HA1 GLY 1 10.462 -2.277 -3.657
6 H CYS 2 HN CYS 2 11.888 -1.921 -0.666
7 HA CYS 2 HA CYS 2 11.440 -4.687 0.262
8 HB2 CYS 2 HB3 CYS 2 12.953 -2.375 1.014
9 HB3 CYS 2 HB2 CYS 2 11.924 -2.833 2.377
10 H CYS 3 HN CYS 3 10.415 -1.630 1.785
11 HA CYS 3 HA CYS 3 8.090 -2.755 3.020
12 HB2 CYS 3 HB3 CYS 3 8.294 0.135 2.144
13 HB3 CYS 3 HB2 CYS 3 7.568 -0.512 3.610
14 HA PRO 4 HA PRO 4 5.167 -2.771 -0.282
15 HB2 PRO 4 HB3 PRO 4 2.878 -1.849 0.911
16 HB3 PRO 4 HB2 PRO 4 3.544 -3.466 1.228
17 HG2 PRO 4 HG2 PRO 4 3.714 -0.994 2.869
18 HG3 PRO 4 HG3 PRO 4 3.541 -2.680 3.379
19 HD2 PRO 4 HD2 PRO 4 5.898 -1.284 3.451
20 HD3 PRO 4 HD3 PRO 4 5.795 -3.056 3.333
21 H ALA 5 HN ALA 5 6.004 0.101 1.365
22 HA ALA 5 HA ALA 5 4.553 2.192 0.337
23 HB1 ALA 5 HB1 ALA 5 7.337 1.672 1.133
24 HB2 ALA 5 HB2 ALA 5 6.245 2.961 1.639
25 HB3 ALA 5 HB3 ALA 5 7.121 3.094 0.115
26 HA PRO 6 HA PRO 6 7.373 0.102 -0.265
27 HB2 PRO 6 HB3 PRO 6 9.490 -0.500 -1.855
28 HB3 PRO 6 HB2 PRO 6 7.941 -1.357 -1.962
29 HG2 PRO 6 HG2 PRO 6 9.135 0.565 -3.815
30 HG3 PRO 6 HG3 PRO 6 7.871 -0.641 -4.095
31 HD2 PRO 6 HD2 PRO 6 7.567 2.177 -3.673
32 HD3 PRO 6 HD3 PRO 6 6.300 0.965 -3.961
33 H LEU 7 HN LEU 7 9.488 0.375 0.816
34 HA LEU 7 HA LEU 7 10.922 2.899 0.100
35 HB2 LEU 7 HB3 LEU 7 9.119 2.492 2.258
36 HB3 LEU 7 HB2 LEU 7 10.739 2.578 2.954
37 HG LEU 7 HG LEU 7 11.165 4.698 1.888
38 HD11 LEU 7 1HD1 LEU 7 10.218 4.604 -0.237
39 HD12 LEU 7 2HD1 LEU 7 9.081 5.673 0.583
40 HD13 LEU 7 3HD1 LEU 7 8.690 3.971 0.364
41 HD21 LEU 7 1HD2 LEU 7 8.898 5.915 2.658
42 HD22 LEU 7 2HD2 LEU 7 10.053 5.273 3.826
43 HD23 LEU 7 3HD2 LEU 7 8.617 4.341 3.403
44 H THR 8 HN THR 8 13.000 3.025 1.509
45 HA THR 8 HA THR 8 14.868 1.127 0.929
46 HB THR 8 HB THR 8 15.196 3.286 2.133
47 HG1 THR 8 HG1 THR 8 16.309 0.883 3.058
48 HG21 THR 8 1HG2 THR 8 14.492 1.775 4.648
49 HG22 THR 8 2HG2 THR 8 13.297 2.736 3.777
50 HG23 THR 8 3HG2 THR 8 14.733 3.510 4.448
51 H CYS 9 HN CYS 9 15.824 -0.690 2.132
52 HA CYS 9 HA CYS 9 13.826 -2.515 3.189
53 HB2 CYS 9 HB3 CYS 9 16.788 -2.486 2.695
54 HB3 CYS 9 HB2 CYS 9 16.089 -3.795 3.653
55 H HIS 10 HN HIS 10 15.341 0.084 4.590
56 HA HIS 10 HA HIS 10 15.779 -1.138 7.247
57 HB2 HIS 10 HB3 HIS 10 16.396 1.343 5.786
58 HB3 HIS 10 HB2 HIS 10 15.943 1.621 7.470
59 HD1 HIS 10 HD1 HIS 10 18.606 2.291 7.610
60 HD2 HIS 10 HD2 HIS 10 17.715 -1.752 7.122
61 HE1 HIS 10 HE1 HIS 10 20.693 1.013 8.263
62 H CYS 11 HN CYS 11 13.291 0.323 5.405
63 HA CYS 11 HA CYS 11 11.711 1.209 7.740
64 HB2 CYS 11 HB3 CYS 11 11.133 2.678 6.103
65 HB3 CYS 11 HB2 CYS 11 11.924 1.693 4.877
66 H VAL 12 HN VAL 12 11.940 -1.381 5.405
67 HA VAL 12 HA VAL 12 10.267 -3.107 4.940
68 HB VAL 12 HB VAL 12 12.391 -3.774 6.092
69 HG11 VAL 12 1HG1 VAL 12 12.639 -3.565 8.325
70 HG12 VAL 12 2HG1 VAL 12 11.102 -4.372 8.635
71 HG13 VAL 12 3HG1 VAL 12 11.139 -2.637 8.319
72 HG21 VAL 12 1HG2 VAL 12 11.475 -5.791 5.647
73 HG22 VAL 12 2HG2 VAL 12 9.854 -5.208 6.024
74 HG23 VAL 12 3HG2 VAL 12 10.899 -5.803 7.314
75 H ILE 13 HN ILE 13 8.149 -1.991 5.221
76 HA ILE 13 HA ILE 13 6.977 -2.109 7.946
77 HB ILE 13 HB ILE 13 6.021 -1.195 5.226
78 HG12 ILE 13 HG13 ILE 13 7.642 0.272 6.299
79 HG13 ILE 13 HG12 ILE 13 6.049 1.025 6.378
80 HG21 ILE 13 1HG2 ILE 13 4.339 -0.251 7.325
81 HG22 ILE 13 2HG2 ILE 13 4.449 -2.005 7.474
82 HG23 ILE 13 3HG2 ILE 13 3.898 -1.280 5.963
83 HD11 ILE 13 1HD1 ILE 13 6.905 1.275 8.567
84 HD12 ILE 13 2HD1 ILE 13 7.586 -0.353 8.577
85 HD13 ILE 13 3HD1 ILE 13 5.840 -0.127 8.684
86 H TYR 14 HN TYR 14 7.488 -4.602 7.637
87 HA TYR 14 HA TYR 14 6.690 -6.792 7.220
88 HB2 TYR 14 HB2 TYR 14 4.770 -5.042 8.519
89 HB3 TYR 14 HB3 TYR 14 3.942 -6.329 7.634
90 HD1 TYR 14 HD1 TYR 14 7.038 -5.962 9.740
91 HD2 TYR 14 HD2 TYR 14 3.530 -8.273 8.838
92 HE1 TYR 14 HE1 TYR 14 7.645 -7.578 11.518
93 HE2 TYR 14 HE2 TYR 14 4.138 -9.889 10.618
94 HH TYR 14 HH TYR 14 7.228 -9.755 12.241
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 12.848 -8.987 -0.003
2 H2 GLY 1 HT2 GLY 1 13.413 -7.846 1.123
3 H3 GLY 1 HT3 GLY 1 13.272 -7.426 -0.517
4 HA2 GLY 1 HA2 GLY 1 10.994 -7.268 -0.450
5 HA3 GLY 1 HA1 GLY 1 10.891 -8.314 0.968
6 H CYS 2 HN CYS 2 11.883 -5.072 -0.102
7 HA CYS 2 HA CYS 2 12.386 -4.040 2.548
8 HB2 CYS 2 HB3 CYS 2 11.524 -2.538 0.059
9 HB3 CYS 2 HB2 CYS 2 12.531 -1.939 1.378
10 H CYS 3 HN CYS 3 10.459 -1.657 1.644
11 HA CYS 3 HA CYS 3 8.200 -2.615 3.311
12 HB2 CYS 3 HB3 CYS 3 8.252 0.118 2.098
13 HB3 CYS 3 HB2 CYS 3 7.811 -0.372 3.730
14 HA PRO 4 HA PRO 4 5.466 -3.126 -0.104
15 HB2 PRO 4 HB3 PRO 4 3.081 -2.369 1.001
16 HB3 PRO 4 HB2 PRO 4 3.897 -3.888 1.428
17 HG2 PRO 4 HG2 PRO 4 3.752 -1.332 2.926
18 HG3 PRO 4 HG3 PRO 4 3.799 -2.995 3.526
19 HD2 PRO 4 HD2 PRO 4 5.954 -1.263 3.490
20 HD3 PRO 4 HD3 PRO 4 6.073 -3.036 3.579
21 H ALA 5 HN ALA 5 5.819 -0.079 1.473
22 HA ALA 5 HA ALA 5 4.250 1.794 0.301
23 HB1 ALA 5 HB1 ALA 5 6.689 2.957 -0.015
24 HB2 ALA 5 HB2 ALA 5 7.107 1.597 1.029
25 HB3 ALA 5 HB3 ALA 5 5.891 2.766 1.545
26 HA PRO 6 HA PRO 6 7.154 -0.184 -0.259
27 HB2 PRO 6 HB3 PRO 6 9.252 -0.795 -1.863
28 HB3 PRO 6 HB2 PRO 6 7.733 -1.714 -1.872
29 HG2 PRO 6 HG2 PRO 6 8.809 0.134 -3.869
30 HG3 PRO 6 HG3 PRO 6 7.580 -1.127 -4.043
31 HD2 PRO 6 HD2 PRO 6 7.189 1.698 -3.782
32 HD3 PRO 6 HD3 PRO 6 5.959 0.428 -3.958
33 H LEU 7 HN LEU 7 9.363 0.121 0.644
34 HA LEU 7 HA LEU 7 10.640 2.724 -0.097
35 HB2 LEU 7 HB3 LEU 7 9.042 2.131 2.192
36 HB3 LEU 7 HB2 LEU 7 10.709 2.312 2.742
37 HG LEU 7 HG LEU 7 10.889 4.489 1.732
38 HD11 LEU 7 1HD1 LEU 7 8.645 5.347 0.629
39 HD12 LEU 7 2HD1 LEU 7 8.358 3.627 0.376
40 HD13 LEU 7 3HD1 LEU 7 9.787 4.391 -0.316
41 HD21 LEU 7 1HD2 LEU 7 9.836 4.645 3.868
42 HD22 LEU 7 2HD2 LEU 7 8.301 4.043 3.239
43 HD23 LEU 7 3HD2 LEU 7 8.863 5.656 2.799
44 H THR 8 HN THR 8 12.815 2.835 1.321
45 HA THR 8 HA THR 8 14.638 0.931 0.479
46 HB THR 8 HB THR 8 14.970 3.119 1.761
47 HG1 THR 8 HG1 THR 8 16.790 2.008 1.401
48 HG21 THR 8 1HG2 THR 8 15.285 1.862 4.326
49 HG22 THR 8 2HG2 THR 8 13.636 1.615 3.758
50 HG23 THR 8 3HG2 THR 8 14.284 3.249 3.895
51 H CYS 9 HN CYS 9 15.636 -0.931 1.605
52 HA CYS 9 HA CYS 9 13.639 -2.694 2.780
53 HB2 CYS 9 HB3 CYS 9 16.336 -2.780 1.674
54 HB3 CYS 9 HB2 CYS 9 16.170 -3.827 3.089
55 H HIS 10 HN HIS 10 15.359 -0.198 4.131
56 HA HIS 10 HA HIS 10 15.968 -1.533 6.706
57 HB2 HIS 10 HB3 HIS 10 17.381 0.261 5.570
58 HB3 HIS 10 HB2 HIS 10 16.083 1.402 5.939
59 HD1 HIS 10 HD1 HIS 10 18.816 -0.593 7.539
60 HD2 HIS 10 HD2 HIS 10 15.786 2.013 8.721
61 HE1 HIS 10 HE1 HIS 10 19.296 0.016 9.950
62 H CYS 11 HN CYS 11 13.419 0.179 5.157
63 HA CYS 11 HA CYS 11 12.121 1.021 7.676
64 HB2 CYS 11 HB3 CYS 11 11.399 2.608 6.227
65 HB3 CYS 11 HB2 CYS 11 12.158 1.748 4.892
66 H VAL 12 HN VAL 12 11.687 -1.280 5.035
67 HA VAL 12 HA VAL 12 9.894 -2.854 4.715
68 HB VAL 12 HB VAL 12 12.078 -3.732 5.758
69 HG11 VAL 12 1HG1 VAL 12 11.256 -2.822 8.083
70 HG12 VAL 12 2HG1 VAL 12 12.127 -4.355 8.010
71 HG13 VAL 12 3HG1 VAL 12 10.368 -4.344 8.153
72 HG21 VAL 12 1HG2 VAL 12 11.028 -5.983 6.171
73 HG22 VAL 12 2HG2 VAL 12 10.515 -5.222 4.664
74 HG23 VAL 12 3HG2 VAL 12 9.448 -5.207 6.069
75 H ILE 13 HN ILE 13 7.835 -1.927 5.093
76 HA ILE 13 HA ILE 13 6.920 -1.617 7.894
77 HB ILE 13 HB ILE 13 5.486 -1.226 5.248
78 HG12 ILE 13 HG13 ILE 13 7.585 0.128 5.505
79 HG13 ILE 13 HG12 ILE 13 6.127 1.119 5.444
80 HG21 ILE 13 1HG2 ILE 13 3.992 0.211 6.558
81 HG22 ILE 13 2HG2 ILE 13 4.926 -0.123 8.016
82 HG23 ILE 13 3HG2 ILE 13 4.015 -1.417 7.238
83 HD11 ILE 13 1HD1 ILE 13 6.509 0.422 8.164
84 HD12 ILE 13 2HD1 ILE 13 6.703 2.013 7.428
85 HD13 ILE 13 3HD1 ILE 13 8.085 0.923 7.552
86 H TYR 14 HN TYR 14 7.236 -4.197 5.867
87 HA TYR 14 HA TYR 14 5.589 -5.943 7.413
88 HB2 TYR 14 HB2 TYR 14 3.841 -4.560 6.231
89 HB3 TYR 14 HB3 TYR 14 4.465 -5.172 4.697
90 HD1 TYR 14 HD1 TYR 14 3.550 -7.126 3.804
91 HD2 TYR 14 HD2 TYR 14 3.264 -6.410 8.031
92 HE1 TYR 14 HE1 TYR 14 2.171 -9.173 4.059
93 HE2 TYR 14 HE2 TYR 14 1.885 -8.456 8.284
94 HH TYR 14 HH TYR 14 0.303 -9.902 5.960
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 10.576 -2.866 -4.179
2 H2 GLY 1 HT2 GLY 1 12.019 -2.193 -4.776
3 H3 GLY 1 HT3 GLY 1 10.583 -1.284 -4.792
4 HA2 GLY 1 HA2 GLY 1 12.477 -1.121 -2.888
5 HA3 GLY 1 HA1 GLY 1 10.792 -0.645 -2.675
6 H CYS 2 HN CYS 2 12.166 -1.508 -0.454
7 HA CYS 2 HA CYS 2 11.662 -4.382 -0.039
8 HB2 CYS 2 HB3 CYS 2 13.344 -2.356 0.987
9 HB3 CYS 2 HB2 CYS 2 12.309 -2.864 2.327
10 H CYS 3 HN CYS 3 10.637 -1.421 1.700
11 HA CYS 3 HA CYS 3 8.548 -2.668 3.206
12 HB2 CYS 3 HB3 CYS 3 8.342 0.164 2.171
13 HB3 CYS 3 HB2 CYS 3 7.882 -0.463 3.748
14 HA PRO 4 HA PRO 4 5.349 -3.056 0.186
15 HB2 PRO 4 HB3 PRO 4 3.099 -2.278 1.544
16 HB3 PRO 4 HB2 PRO 4 3.927 -3.817 1.861
17 HG2 PRO 4 HG2 PRO 4 4.009 -1.273 3.392
18 HG3 PRO 4 HG3 PRO 4 4.043 -2.944 3.973
19 HD2 PRO 4 HD2 PRO 4 6.256 -1.326 3.778
20 HD3 PRO 4 HD3 PRO 4 6.309 -3.102 3.762
21 H ALA 5 HN ALA 5 6.121 -0.074 1.647
22 HA ALA 5 HA ALA 5 4.425 1.870 0.691
23 HB1 ALA 5 HB1 ALA 5 7.362 1.610 1.128
24 HB2 ALA 5 HB2 ALA 5 6.195 2.656 1.936
25 HB3 ALA 5 HB3 ALA 5 6.783 3.071 0.326
26 HA PRO 6 HA PRO 6 7.222 -0.177 -0.111
27 HB2 PRO 6 HB3 PRO 6 9.105 -0.934 -1.918
28 HB3 PRO 6 HB2 PRO 6 7.518 -1.722 -1.807
29 HG2 PRO 6 HG2 PRO 6 8.566 0.043 -3.877
30 HG3 PRO 6 HG3 PRO 6 7.182 -1.061 -3.927
31 HD2 PRO 6 HD2 PRO 6 7.194 1.801 -3.541
32 HD3 PRO 6 HD3 PRO 6 5.804 0.709 -3.721
33 H LEU 7 HN LEU 7 9.453 0.027 0.709
34 HA LEU 7 HA LEU 7 10.922 2.445 -0.262
35 HB2 LEU 7 HB3 LEU 7 9.328 2.211 2.102
36 HB3 LEU 7 HB2 LEU 7 11.022 2.344 2.584
37 HG LEU 7 HG LEU 7 11.298 4.355 1.241
38 HD11 LEU 7 1HD1 LEU 7 9.018 5.291 0.305
39 HD12 LEU 7 2HD1 LEU 7 8.552 3.591 0.308
40 HD13 LEU 7 3HD1 LEU 7 9.942 4.121 -0.637
41 HD21 LEU 7 1HD2 LEU 7 10.573 5.375 3.121
42 HD22 LEU 7 2HD2 LEU 7 9.384 4.106 3.417
43 HD23 LEU 7 3HD2 LEU 7 8.981 5.467 2.367
44 H THR 8 HN THR 8 12.952 2.500 1.556
45 HA THR 8 HA THR 8 14.757 0.496 0.754
46 HB THR 8 HB THR 8 15.333 2.660 1.786
47 HG1 THR 8 HG1 THR 8 17.070 1.591 2.220
48 HG21 THR 8 1HG2 THR 8 13.389 2.425 3.481
49 HG22 THR 8 2HG2 THR 8 14.880 3.183 4.043
50 HG23 THR 8 3HG2 THR 8 14.538 1.504 4.450
51 H CYS 9 HN CYS 9 15.841 -1.099 2.325
52 HA CYS 9 HA CYS 9 13.819 -2.931 3.391
53 HB2 CYS 9 HB3 CYS 9 16.846 -2.894 3.229
54 HB3 CYS 9 HB2 CYS 9 15.932 -4.257 3.881
55 H HIS 10 HN HIS 10 15.292 -0.203 4.621
56 HA HIS 10 HA HIS 10 15.596 -1.194 7.393
57 HB2 HIS 10 HB3 HIS 10 17.217 0.396 6.563
58 HB3 HIS 10 HB2 HIS 10 15.940 1.470 5.982
59 HD1 HIS 10 HD1 HIS 10 17.761 0.440 9.078
60 HD2 HIS 10 HD2 HIS 10 14.596 2.947 8.039
61 HE1 HIS 10 HE1 HIS 10 17.289 1.876 11.110
62 H CYS 11 HN CYS 11 13.343 0.503 5.351
63 HA CYS 11 HA CYS 11 11.659 1.388 7.609
64 HB2 CYS 11 HB3 CYS 11 11.260 2.997 6.058
65 HB3 CYS 11 HB2 CYS 11 12.185 2.097 4.863
66 H VAL 12 HN VAL 12 12.094 -1.329 5.603
67 HA VAL 12 HA VAL 12 9.989 -2.608 4.751
68 HB VAL 12 HB VAL 12 12.187 -3.340 6.514
69 HG11 VAL 12 1HG1 VAL 12 11.125 -5.700 6.894
70 HG12 VAL 12 2HG1 VAL 12 9.589 -4.842 6.778
71 HG13 VAL 12 3HG1 VAL 12 10.749 -4.409 8.034
72 HG21 VAL 12 1HG2 VAL 12 10.747 -4.480 4.133
73 HG22 VAL 12 2HG2 VAL 12 11.996 -5.413 4.957
74 HG23 VAL 12 3HG2 VAL 12 12.392 -3.852 4.236
75 H ILE 13 HN ILE 13 7.922 -1.890 5.251
76 HA ILE 13 HA ILE 13 7.039 -1.779 8.074
77 HB ILE 13 HB ILE 13 5.468 -1.383 5.514
78 HG12 ILE 13 HG13 ILE 13 7.050 0.672 7.091
79 HG13 ILE 13 HG12 ILE 13 7.558 -0.008 5.545
80 HG21 ILE 13 1HG2 ILE 13 5.110 -0.659 8.412
81 HG22 ILE 13 2HG2 ILE 13 3.952 -1.390 7.302
82 HG23 ILE 13 3HG2 ILE 13 4.353 0.321 7.157
83 HD11 ILE 13 1HD1 ILE 13 5.388 0.806 4.560
84 HD12 ILE 13 2HD1 ILE 13 6.461 2.099 5.098
85 HD13 ILE 13 3HD1 ILE 13 5.073 1.637 6.083
86 H TYR 14 HN TYR 14 7.326 -4.213 5.798
87 HA TYR 14 HA TYR 14 4.901 -5.642 5.845
88 HB2 TYR 14 HB2 TYR 14 7.546 -5.985 5.016
89 HB3 TYR 14 HB3 TYR 14 7.275 -7.315 6.147
90 HD1 TYR 14 HD1 TYR 14 6.029 -9.202 5.502
91 HD2 TYR 14 HD2 TYR 14 5.780 -5.599 3.180
92 HE1 TYR 14 HE1 TYR 14 4.706 -10.403 3.783
93 HE2 TYR 14 HE2 TYR 14 4.456 -6.798 1.460
94 HH TYR 14 HH TYR 14 3.974 -10.282 1.614
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 11.818 -3.196 -3.943
2 H2 GLY 1 HT2 GLY 1 12.050 -4.879 -3.935
3 H3 GLY 1 HT3 GLY 1 12.386 -3.965 -2.543
4 HA2 GLY 1 HA2 GLY 1 9.797 -3.338 -3.057
5 HA3 GLY 1 HA1 GLY 1 9.898 -5.052 -3.461
6 H CYS 2 HN CYS 2 11.458 -3.022 -0.949
7 HA CYS 2 HA CYS 2 11.243 -5.153 1.018
8 HB2 CYS 2 HB3 CYS 2 11.899 -2.214 1.370
9 HB3 CYS 2 HB2 CYS 2 12.372 -3.545 2.429
10 H CYS 3 HN CYS 3 10.170 -1.827 1.697
11 HA CYS 3 HA CYS 3 7.944 -2.756 3.309
12 HB2 CYS 3 HB3 CYS 3 8.060 -0.001 2.089
13 HB3 CYS 3 HB2 CYS 3 7.563 -0.472 3.710
14 HA PRO 4 HA PRO 4 4.802 -2.938 0.213
15 HB2 PRO 4 HB3 PRO 4 2.664 -1.616 1.287
16 HB3 PRO 4 HB2 PRO 4 3.226 -3.190 1.888
17 HG2 PRO 4 HG2 PRO 4 3.563 -0.497 3.049
18 HG3 PRO 4 HG3 PRO 4 3.457 -2.070 3.850
19 HD2 PRO 4 HD2 PRO 4 5.791 -0.605 3.384
20 HD3 PRO 4 HD3 PRO 4 5.705 -2.318 3.857
21 H ALA 5 HN ALA 5 6.155 0.029 1.021
22 HA ALA 5 HA ALA 5 4.614 1.926 -0.430
23 HB1 ALA 5 HB1 ALA 5 7.193 2.810 -0.588
24 HB2 ALA 5 HB2 ALA 5 7.311 1.636 0.723
25 HB3 ALA 5 HB3 ALA 5 6.176 2.981 0.841
26 HA PRO 6 HA PRO 6 7.471 -0.191 -0.283
27 HB2 PRO 6 HB3 PRO 6 9.735 -1.086 -1.481
28 HB3 PRO 6 HB2 PRO 6 8.202 -1.977 -1.540
29 HG2 PRO 6 HG2 PRO 6 9.584 -0.510 -3.658
30 HG3 PRO 6 HG3 PRO 6 8.327 -1.751 -3.777
31 HD2 PRO 6 HD2 PRO 6 8.043 1.098 -4.010
32 HD3 PRO 6 HD3 PRO 6 6.793 -0.154 -4.175
33 H LEU 7 HN LEU 7 9.430 0.313 0.905
34 HA LEU 7 HA LEU 7 10.762 2.853 0.018
35 HB2 LEU 7 HB3 LEU 7 9.255 2.044 2.366
36 HB3 LEU 7 HB2 LEU 7 10.878 2.568 2.819
37 HG LEU 7 HG LEU 7 10.564 4.683 1.630
38 HD11 LEU 7 1HD1 LEU 7 8.815 5.109 0.203
39 HD12 LEU 7 2HD1 LEU 7 7.683 4.127 1.134
40 HD13 LEU 7 3HD1 LEU 7 8.838 3.356 0.050
41 HD21 LEU 7 1HD2 LEU 7 9.536 4.142 4.009
42 HD22 LEU 7 2HD2 LEU 7 8.003 4.353 3.162
43 HD23 LEU 7 3HD2 LEU 7 9.172 5.674 3.215
44 H THR 8 HN THR 8 12.906 3.028 1.541
45 HA THR 8 HA THR 8 14.830 1.215 0.700
46 HB THR 8 HB THR 8 15.215 3.326 1.947
47 HG1 THR 8 HG1 THR 8 16.406 1.472 3.616
48 HG21 THR 8 1HG2 THR 8 13.716 1.820 4.000
49 HG22 THR 8 2HG2 THR 8 13.828 3.560 3.736
50 HG23 THR 8 3HG2 THR 8 15.112 2.715 4.602
51 H CYS 9 HN CYS 9 15.814 -0.685 1.771
52 HA CYS 9 HA CYS 9 13.821 -2.491 2.858
53 HB2 CYS 9 HB3 CYS 9 16.458 -2.556 1.736
54 HB3 CYS 9 HB2 CYS 9 16.462 -3.468 3.252
55 H HIS 10 HN HIS 10 15.430 0.012 4.299
56 HA HIS 10 HA HIS 10 15.922 -1.327 6.890
57 HB2 HIS 10 HB3 HIS 10 16.990 0.840 5.520
58 HB3 HIS 10 HB2 HIS 10 15.970 1.612 6.738
59 HD1 HIS 10 HD1 HIS 10 16.340 0.504 9.274
60 HD2 HIS 10 HD2 HIS 10 19.456 0.127 6.531
61 HE1 HIS 10 HE1 HIS 10 18.416 -0.038 10.619
62 H CYS 11 HN CYS 11 13.362 0.140 5.177
63 HA CYS 11 HA CYS 11 11.922 1.073 7.586
64 HB2 CYS 11 HB3 CYS 11 11.278 2.533 5.966
65 HB3 CYS 11 HB2 CYS 11 11.980 1.520 4.709
66 H VAL 12 HN VAL 12 11.669 -1.342 5.018
67 HA VAL 12 HA VAL 12 10.037 -3.096 4.773
68 HB VAL 12 HB VAL 12 12.259 -3.792 5.745
69 HG11 VAL 12 1HG1 VAL 12 10.877 -4.237 8.359
70 HG12 VAL 12 2HG1 VAL 12 11.501 -2.624 8.018
71 HG13 VAL 12 3HG1 VAL 12 12.592 -4.008 8.023
72 HG21 VAL 12 1HG2 VAL 12 9.992 -5.480 6.814
73 HG22 VAL 12 2HG2 VAL 12 11.545 -6.020 6.176
74 HG23 VAL 12 3HG2 VAL 12 10.328 -5.354 5.087
75 H ILE 13 HN ILE 13 8.011 -1.891 5.261
76 HA ILE 13 HA ILE 13 7.053 -1.991 8.060
77 HB ILE 13 HB ILE 13 5.901 -1.024 5.427
78 HG12 ILE 13 HG13 ILE 13 7.807 0.244 6.463
79 HG13 ILE 13 HG12 ILE 13 6.319 1.183 6.351
80 HG21 ILE 13 1HG2 ILE 13 3.880 -1.084 6.430
81 HG22 ILE 13 2HG2 ILE 13 4.490 0.111 7.575
82 HG23 ILE 13 3HG2 ILE 13 4.596 -1.608 7.954
83 HD11 ILE 13 1HD1 ILE 13 7.819 0.787 8.656
84 HD12 ILE 13 2HD1 ILE 13 6.488 -0.356 8.830
85 HD13 ILE 13 3HD1 ILE 13 6.152 1.360 8.598
86 H TYR 14 HN TYR 14 7.546 -4.556 7.255
87 HA TYR 14 HA TYR 14 6.521 -6.670 7.104
88 HB2 TYR 14 HB2 TYR 14 5.023 -5.082 8.728
89 HB3 TYR 14 HB3 TYR 14 3.826 -5.477 7.490
90 HD1 TYR 14 HD1 TYR 14 5.406 -6.595 10.470
91 HD2 TYR 14 HD2 TYR 14 3.690 -8.006 6.793
92 HE1 TYR 14 HE1 TYR 14 5.110 -8.844 11.473
93 HE2 TYR 14 HE2 TYR 14 3.392 -10.255 7.797
94 HH TYR 14 HH TYR 14 3.528 -10.850 11.044
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 10.024 -3.821 -4.356
2 H2 GLY 1 HT2 GLY 1 9.999 -2.215 -4.912
3 H3 GLY 1 HT3 GLY 1 9.073 -2.663 -3.560
4 HA2 GLY 1 HA2 GLY 1 12.041 -2.718 -3.685
5 HA3 GLY 1 HA1 GLY 1 11.085 -1.446 -2.922
6 H CYS 2 HN CYS 2 11.997 -1.959 -0.840
7 HA CYS 2 HA CYS 2 11.692 -4.636 0.291
8 HB2 CYS 2 HB3 CYS 2 12.313 -1.992 1.634
9 HB3 CYS 2 HB2 CYS 2 12.747 -3.605 2.204
10 H CYS 3 HN CYS 3 10.503 -1.535 1.608
11 HA CYS 3 HA CYS 3 8.332 -2.745 3.070
12 HB2 CYS 3 HB3 CYS 3 8.275 0.095 2.038
13 HB3 CYS 3 HB2 CYS 3 7.732 -0.519 3.595
14 HA PRO 4 HA PRO 4 5.219 -2.893 -0.072
15 HB2 PRO 4 HB3 PRO 4 2.967 -1.992 1.191
16 HB3 PRO 4 HB2 PRO 4 3.718 -3.559 1.564
17 HG2 PRO 4 HG2 PRO 4 3.741 -1.047 3.102
18 HG3 PRO 4 HG3 PRO 4 3.891 -2.719 3.658
19 HD2 PRO 4 HD2 PRO 4 5.972 -0.855 3.335
20 HD3 PRO 4 HD3 PRO 4 6.145 -2.597 3.642
21 H ALA 5 HN ALA 5 6.224 0.064 1.183
22 HA ALA 5 HA ALA 5 4.489 1.981 0.033
23 HB1 ALA 5 HB1 ALA 5 7.249 1.798 1.063
24 HB2 ALA 5 HB2 ALA 5 5.985 2.972 1.433
25 HB3 ALA 5 HB3 ALA 5 6.948 3.145 -0.036
26 HA PRO 6 HA PRO 6 7.484 0.064 -0.202
27 HB2 PRO 6 HB3 PRO 6 9.756 -0.497 -1.573
28 HB3 PRO 6 HB2 PRO 6 8.271 -1.453 -1.742
29 HG2 PRO 6 HG2 PRO 6 9.507 0.410 -3.625
30 HG3 PRO 6 HG3 PRO 6 8.326 -0.875 -3.916
31 HD2 PRO 6 HD2 PRO 6 7.860 1.949 -3.697
32 HD3 PRO 6 HD3 PRO 6 6.683 0.657 -4.019
33 H LEU 7 HN LEU 7 9.653 0.402 0.869
34 HA LEU 7 HA LEU 7 10.824 3.100 0.302
35 HB2 LEU 7 HB3 LEU 7 9.155 2.296 2.473
36 HB3 LEU 7 HB2 LEU 7 10.778 2.557 3.116
37 HG LEU 7 HG LEU 7 10.865 4.781 2.153
38 HD11 LEU 7 1HD1 LEU 7 9.779 4.834 0.135
39 HD12 LEU 7 2HD1 LEU 7 8.452 5.443 1.126
40 HD13 LEU 7 3HD1 LEU 7 8.511 3.740 0.678
41 HD21 LEU 7 1HD2 LEU 7 9.785 5.410 4.034
42 HD22 LEU 7 2HD2 LEU 7 8.811 3.940 4.021
43 HD23 LEU 7 3HD2 LEU 7 8.278 5.357 3.118
44 H THR 8 HN THR 8 12.882 3.282 1.867
45 HA THR 8 HA THR 8 14.919 1.611 1.050
46 HB THR 8 HB THR 8 15.168 3.658 2.404
47 HG1 THR 8 HG1 THR 8 16.366 1.260 3.063
48 HG21 THR 8 1HG2 THR 8 14.291 1.976 4.763
49 HG22 THR 8 2HG2 THR 8 13.220 3.092 3.917
50 HG23 THR 8 3HG2 THR 8 14.648 3.703 4.752
51 H CYS 9 HN CYS 9 15.972 -0.269 2.036
52 HA CYS 9 HA CYS 9 14.103 -2.293 2.932
53 HB2 CYS 9 HB3 CYS 9 16.852 -2.029 2.033
54 HB3 CYS 9 HB2 CYS 9 16.732 -3.157 3.389
55 H HIS 10 HN HIS 10 15.479 0.237 4.597
56 HA HIS 10 HA HIS 10 15.946 -1.241 7.122
57 HB2 HIS 10 HB3 HIS 10 17.242 0.806 6.162
58 HB3 HIS 10 HB2 HIS 10 15.856 1.755 6.712
59 HD1 HIS 10 HD1 HIS 10 15.517 -0.371 9.236
60 HD2 HIS 10 HD2 HIS 10 18.797 2.024 8.291
61 HE1 HIS 10 HE1 HIS 10 16.833 -0.078 11.381
62 H CYS 11 HN CYS 11 13.386 0.247 5.409
63 HA CYS 11 HA CYS 11 11.803 0.895 7.821
64 HB2 CYS 11 HB3 CYS 11 11.134 2.459 6.314
65 HB3 CYS 11 HB2 CYS 11 11.956 1.612 5.009
66 H VAL 12 HN VAL 12 11.754 -1.296 5.048
67 HA VAL 12 HA VAL 12 10.155 -3.027 4.568
68 HB VAL 12 HB VAL 12 12.436 -3.650 5.712
69 HG11 VAL 12 1HG1 VAL 12 11.285 -3.295 8.032
70 HG12 VAL 12 2HG1 VAL 12 12.357 -4.680 7.814
71 HG13 VAL 12 3HG1 VAL 12 10.608 -4.899 7.748
72 HG21 VAL 12 1HG2 VAL 12 10.700 -5.035 4.291
73 HG22 VAL 12 2HG2 VAL 12 10.387 -5.834 5.833
74 HG23 VAL 12 3HG2 VAL 12 12.009 -5.858 5.139
75 H ILE 13 HN ILE 13 8.059 -2.115 5.018
76 HA ILE 13 HA ILE 13 7.034 -2.338 7.789
77 HB ILE 13 HB ILE 13 6.125 -1.198 5.165
78 HG12 ILE 13 HG13 ILE 13 6.345 -0.168 8.006
79 HG13 ILE 13 HG12 ILE 13 7.443 0.190 6.673
80 HG21 ILE 13 1HG2 ILE 13 3.996 -0.611 6.711
81 HG22 ILE 13 2HG2 ILE 13 4.382 -2.205 7.360
82 HG23 ILE 13 3HG2 ILE 13 4.028 -2.013 5.643
83 HD11 ILE 13 1HD1 ILE 13 5.203 1.680 7.386
84 HD12 ILE 13 2HD1 ILE 13 4.663 0.752 5.985
85 HD13 ILE 13 3HD1 ILE 13 6.080 1.794 5.860
86 H TYR 14 HN TYR 14 6.156 -4.208 8.482
87 HA TYR 14 HA TYR 14 5.845 -6.569 7.018
88 HB2 TYR 14 HB2 TYR 14 4.508 -7.293 8.929
89 HB3 TYR 14 HB3 TYR 14 5.803 -6.238 9.506
90 HD1 TYR 14 HD1 TYR 14 2.202 -6.261 8.511
91 HD2 TYR 14 HD2 TYR 14 5.312 -4.246 10.682
92 HE1 TYR 14 HE1 TYR 14 0.519 -4.741 9.510
93 HE2 TYR 14 HE2 TYR 14 3.628 -2.723 11.681
94 HH TYR 14 HH TYR 14 0.784 -3.139 12.075
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 13.572 -2.042 -1.628
2 H2 GLY 1 HT2 GLY 1 13.325 -0.363 -1.531
3 H3 GLY 1 HT3 GLY 1 13.576 -1.102 -3.041
4 HA2 GLY 1 HA2 GLY 1 11.157 -0.536 -1.917
5 HA3 GLY 1 HA1 GLY 1 11.441 -1.627 -3.273
6 H CYS 2 HN CYS 2 12.146 -1.875 0.229
7 HA CYS 2 HA CYS 2 11.196 -4.662 0.201
8 HB2 CYS 2 HB3 CYS 2 12.342 -2.894 2.382
9 HB3 CYS 2 HB2 CYS 2 12.173 -4.650 2.455
10 H CYS 3 HN CYS 3 10.300 -1.559 1.715
11 HA CYS 3 HA CYS 3 8.086 -2.626 3.255
12 HB2 CYS 3 HB3 CYS 3 8.194 0.183 2.139
13 HB3 CYS 3 HB2 CYS 3 7.609 -0.352 3.712
14 HA PRO 4 HA PRO 4 5.002 -2.901 0.113
15 HB2 PRO 4 HB3 PRO 4 2.773 -1.825 1.282
16 HB3 PRO 4 HB2 PRO 4 3.442 -3.402 1.757
17 HG2 PRO 4 HG2 PRO 4 3.683 -0.762 3.097
18 HG3 PRO 4 HG3 PRO 4 3.534 -2.379 3.801
19 HD2 PRO 4 HD2 PRO 4 5.890 -0.983 3.612
20 HD3 PRO 4 HD3 PRO 4 5.782 -2.755 3.726
21 H ALA 5 HN ALA 5 5.906 0.140 1.396
22 HA ALA 5 HA ALA 5 4.393 2.078 0.147
23 HB1 ALA 5 HB1 ALA 5 6.070 2.982 1.396
24 HB2 ALA 5 HB2 ALA 5 6.901 3.055 -0.158
25 HB3 ALA 5 HB3 ALA 5 7.215 1.717 0.950
26 HA PRO 6 HA PRO 6 7.154 -0.164 -0.254
27 HB2 PRO 6 HB3 PRO 6 9.240 -0.985 -1.776
28 HB3 PRO 6 HB2 PRO 6 7.656 -1.781 -1.819
29 HG2 PRO 6 HG2 PRO 6 8.934 -0.062 -3.813
30 HG3 PRO 6 HG3 PRO 6 7.633 -1.247 -4.006
31 HD2 PRO 6 HD2 PRO 6 7.413 1.599 -3.833
32 HD3 PRO 6 HD3 PRO 6 6.109 0.407 -4.004
33 H LEU 7 HN LEU 7 9.349 0.023 0.721
34 HA LEU 7 HA LEU 7 10.770 2.549 -0.053
35 HB2 LEU 7 HB3 LEU 7 9.200 1.960 2.268
36 HB3 LEU 7 HB2 LEU 7 10.885 2.122 2.766
37 HG LEU 7 HG LEU 7 11.053 4.301 1.743
38 HD11 LEU 7 1HD1 LEU 7 9.873 4.431 -0.206
39 HD12 LEU 7 2HD1 LEU 7 8.597 5.064 0.834
40 HD13 LEU 7 3HD1 LEU 7 8.606 3.360 0.386
41 HD21 LEU 7 1HD2 LEU 7 8.381 4.111 3.172
42 HD22 LEU 7 2HD2 LEU 7 9.394 5.548 3.036
43 HD23 LEU 7 3HD2 LEU 7 9.945 4.167 3.985
44 H THR 8 HN THR 8 12.834 2.504 1.671
45 HA THR 8 HA THR 8 14.619 0.513 0.684
46 HB THR 8 HB THR 8 15.255 2.716 1.591
47 HG1 THR 8 HG1 THR 8 16.981 1.975 2.848
48 HG21 THR 8 1HG2 THR 8 15.016 3.276 3.896
49 HG22 THR 8 2HG2 THR 8 14.608 1.618 4.334
50 HG23 THR 8 3HG2 THR 8 13.461 2.595 3.420
51 H CYS 9 HN CYS 9 15.764 -1.133 2.083
52 HA CYS 9 HA CYS 9 13.859 -2.860 3.448
53 HB2 CYS 9 HB3 CYS 9 16.597 -2.896 2.446
54 HB3 CYS 9 HB2 CYS 9 16.471 -3.703 4.014
55 H HIS 10 HN HIS 10 15.384 -0.073 4.429
56 HA HIS 10 HA HIS 10 15.909 -0.915 7.212
57 HB2 HIS 10 HB3 HIS 10 16.230 1.535 5.496
58 HB3 HIS 10 HB2 HIS 10 16.231 1.727 7.253
59 HD1 HIS 10 HD1 HIS 10 18.808 2.172 5.502
60 HD2 HIS 10 HD2 HIS 10 17.877 -1.361 7.508
61 HE1 HIS 10 HE1 HIS 10 20.996 0.945 5.844
62 H CYS 11 HN CYS 11 13.423 0.449 5.219
63 HA CYS 11 HA CYS 11 11.844 1.436 7.521
64 HB2 CYS 11 HB3 CYS 11 11.337 2.893 5.846
65 HB3 CYS 11 HB2 CYS 11 12.053 1.836 4.632
66 H VAL 12 HN VAL 12 12.082 -1.201 5.249
67 HA VAL 12 HA VAL 12 10.251 -2.829 4.790
68 HB VAL 12 HB VAL 12 12.446 -3.196 6.713
69 HG11 VAL 12 1HG1 VAL 12 10.976 -4.387 8.126
70 HG12 VAL 12 2HG1 VAL 12 11.649 -5.645 7.088
71 HG13 VAL 12 3HG1 VAL 12 10.035 -5.009 6.771
72 HG21 VAL 12 1HG2 VAL 12 13.143 -4.783 5.139
73 HG22 VAL 12 2HG2 VAL 12 12.257 -3.624 4.148
74 HG23 VAL 12 3HG2 VAL 12 11.493 -5.139 4.627
75 H ILE 13 HN ILE 13 8.144 -2.072 5.263
76 HA ILE 13 HA ILE 13 7.254 -1.956 8.088
77 HB ILE 13 HB ILE 13 5.905 -1.499 5.412
78 HG12 ILE 13 HG13 ILE 13 6.749 0.474 7.552
79 HG13 ILE 13 HG12 ILE 13 7.722 0.100 6.129
80 HG21 ILE 13 1HG2 ILE 13 4.884 -1.515 8.211
81 HG22 ILE 13 2HG2 ILE 13 4.046 -1.898 6.707
82 HG23 ILE 13 3HG2 ILE 13 4.323 -0.217 7.159
83 HD11 ILE 13 1HD1 ILE 13 5.182 0.603 5.092
84 HD12 ILE 13 2HD1 ILE 13 6.555 1.709 5.056
85 HD13 ILE 13 3HD1 ILE 13 5.371 1.815 6.360
86 H TYR 14 HN TYR 14 7.122 -4.162 5.378
87 HA TYR 14 HA TYR 14 6.201 -6.333 5.204
88 HB2 TYR 14 HB2 TYR 14 7.298 -5.964 7.718
89 HB3 TYR 14 HB3 TYR 14 5.670 -6.539 8.091
90 HD1 TYR 14 HD1 TYR 14 4.852 -8.549 6.506
91 HD2 TYR 14 HD2 TYR 14 8.947 -7.568 7.362
92 HE1 TYR 14 HE1 TYR 14 5.532 -10.858 5.909
93 HE2 TYR 14 HE2 TYR 14 9.625 -9.877 6.763
94 HH TYR 14 HH TYR 14 8.335 -12.227 6.758
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 11.065 -8.364 -0.132
2 H2 GLY 1 HT2 GLY 1 9.865 -7.523 0.728
3 H3 GLY 1 HT3 GLY 1 10.188 -9.151 1.088
4 HA2 GLY 1 HA2 GLY 1 11.513 -8.414 2.697
5 HA3 GLY 1 HA1 GLY 1 12.616 -7.969 1.394
6 H CYS 2 HN CYS 2 12.043 -5.782 0.330
7 HA CYS 2 HA CYS 2 12.262 -3.674 2.188
8 HB2 CYS 2 HB3 CYS 2 11.826 -4.102 -0.667
9 HB3 CYS 2 HB2 CYS 2 11.030 -2.631 -0.100
10 H CYS 3 HN CYS 3 10.295 -1.779 1.595
11 HA CYS 3 HA CYS 3 8.007 -2.850 3.145
12 HB2 CYS 3 HB3 CYS 3 8.059 -0.040 2.121
13 HB3 CYS 3 HB2 CYS 3 7.614 -0.638 3.715
14 HA PRO 4 HA PRO 4 5.250 -3.034 -0.280
15 HB2 PRO 4 HB3 PRO 4 2.940 -1.928 0.669
16 HB3 PRO 4 HB2 PRO 4 3.553 -3.499 1.228
17 HG2 PRO 4 HG2 PRO 4 3.617 -0.863 2.566
18 HG3 PRO 4 HG3 PRO 4 3.517 -2.485 3.263
19 HD2 PRO 4 HD2 PRO 4 5.808 -0.899 3.131
20 HD3 PRO 4 HD3 PRO 4 5.767 -2.648 3.453
21 H ALA 5 HN ALA 5 5.715 0.107 1.172
22 HA ALA 5 HA ALA 5 4.412 1.977 -0.285
23 HB1 ALA 5 HB1 ALA 5 6.940 2.977 -0.399
24 HB2 ALA 5 HB2 ALA 5 7.145 1.682 0.782
25 HB3 ALA 5 HB3 ALA 5 5.957 2.954 1.064
26 HA PRO 6 HA PRO 6 7.294 -0.117 -0.398
27 HB2 PRO 6 HB3 PRO 6 9.551 -0.842 -1.711
28 HB3 PRO 6 HB2 PRO 6 8.029 -1.744 -1.854
29 HG2 PRO 6 HG2 PRO 6 9.361 -0.014 -3.803
30 HG3 PRO 6 HG3 PRO 6 8.150 -1.280 -4.055
31 HD2 PRO 6 HD2 PRO 6 7.756 1.554 -4.000
32 HD3 PRO 6 HD3 PRO 6 6.540 0.282 -4.241
33 H LEU 7 HN LEU 7 9.270 0.305 0.820
34 HA LEU 7 HA LEU 7 10.574 2.914 0.105
35 HB2 LEU 7 HB3 LEU 7 9.002 2.047 2.359
36 HB3 LEU 7 HB2 LEU 7 10.635 2.429 2.905
37 HG LEU 7 HG LEU 7 10.515 4.648 2.010
38 HD11 LEU 7 1HD1 LEU 7 7.903 4.870 0.957
39 HD12 LEU 7 2HD1 LEU 7 8.587 3.405 0.260
40 HD13 LEU 7 3HD1 LEU 7 9.422 4.943 0.062
41 HD21 LEU 7 1HD2 LEU 7 8.404 5.526 3.079
42 HD22 LEU 7 2HD2 LEU 7 9.337 4.452 4.122
43 HD23 LEU 7 3HD2 LEU 7 7.890 3.855 3.310
44 H THR 8 HN THR 8 12.730 3.041 1.535
45 HA THR 8 HA THR 8 14.639 1.247 0.654
46 HB THR 8 HB THR 8 15.138 3.283 1.909
47 HG1 THR 8 HG1 THR 8 16.409 1.137 2.141
48 HG21 THR 8 1HG2 THR 8 13.139 2.362 3.620
49 HG22 THR 8 2HG2 THR 8 14.145 3.788 3.869
50 HG23 THR 8 3HG2 THR 8 14.614 2.244 4.579
51 H CYS 9 HN CYS 9 15.572 -0.719 1.559
52 HA CYS 9 HA CYS 9 13.609 -2.518 2.709
53 HB2 CYS 9 HB3 CYS 9 16.451 -2.586 1.797
54 HB3 CYS 9 HB2 CYS 9 15.900 -3.894 2.853
55 H HIS 10 HN HIS 10 15.339 -0.093 4.133
56 HA HIS 10 HA HIS 10 15.976 -1.510 6.649
57 HB2 HIS 10 HB3 HIS 10 17.356 0.347 5.568
58 HB3 HIS 10 HB2 HIS 10 16.040 1.453 5.980
59 HD1 HIS 10 HD1 HIS 10 19.141 0.298 7.296
60 HD2 HIS 10 HD2 HIS 10 15.419 1.115 8.986
61 HE1 HIS 10 HE1 HIS 10 19.533 0.610 9.779
62 H CYS 11 HN CYS 11 13.358 0.077 5.127
63 HA CYS 11 HA CYS 11 12.030 0.911 7.632
64 HB2 CYS 11 HB3 CYS 11 11.254 2.421 6.118
65 HB3 CYS 11 HB2 CYS 11 11.969 1.505 4.795
66 H VAL 12 HN VAL 12 11.649 -1.415 4.994
67 HA VAL 12 HA VAL 12 9.987 -3.138 4.755
68 HB VAL 12 HB VAL 12 12.256 -3.863 5.670
69 HG11 VAL 12 1HG1 VAL 12 12.576 -4.235 7.921
70 HG12 VAL 12 2HG1 VAL 12 10.869 -4.565 8.216
71 HG13 VAL 12 3HG1 VAL 12 11.427 -2.902 8.031
72 HG21 VAL 12 1HG2 VAL 12 10.091 -5.304 5.007
73 HG22 VAL 12 2HG2 VAL 12 10.210 -5.771 6.703
74 HG23 VAL 12 3HG2 VAL 12 11.565 -6.058 5.611
75 H ILE 13 HN ILE 13 8.087 -1.711 5.439
76 HA ILE 13 HA ILE 13 7.217 -2.082 8.250
77 HB ILE 13 HB ILE 13 6.931 0.046 6.964
78 HG12 ILE 13 HG13 ILE 13 4.139 -0.421 7.288
79 HG13 ILE 13 HG12 ILE 13 4.978 -1.361 8.523
80 HG21 ILE 13 1HG2 ILE 13 6.346 -1.414 4.849
81 HG22 ILE 13 2HG2 ILE 13 5.629 0.184 5.050
82 HG23 ILE 13 3HG2 ILE 13 4.698 -1.259 5.454
83 HD11 ILE 13 1HD1 ILE 13 4.530 0.897 9.357
84 HD12 ILE 13 2HD1 ILE 13 5.362 1.592 7.965
85 HD13 ILE 13 3HD1 ILE 13 6.266 0.660 9.158
86 H TYR 14 HN TYR 14 7.336 -4.530 7.640
87 HA TYR 14 HA TYR 14 6.190 -6.548 7.268
88 HB2 TYR 14 HB2 TYR 14 3.959 -4.570 7.831
89 HB3 TYR 14 HB3 TYR 14 3.707 -6.318 7.754
90 HD1 TYR 14 HD1 TYR 14 4.997 -3.544 9.727
91 HD2 TYR 14 HD2 TYR 14 4.891 -7.824 9.369
92 HE1 TYR 14 HE1 TYR 14 5.773 -3.760 12.073
93 HE2 TYR 14 HE2 TYR 14 5.666 -8.040 11.717
94 HH TYR 14 HH TYR 14 5.443 -6.255 13.896
Start of MODEL 21
1 H1 GLY 1 HT1 GLY 1 12.768 -3.588 -2.894
2 H2 GLY 1 HT2 GLY 1 13.161 -1.956 -2.638
3 H3 GLY 1 HT3 GLY 1 12.603 -2.470 -4.158
4 HA2 GLY 1 HA2 GLY 1 11.009 -1.287 -2.467
5 HA3 GLY 1 HA1 GLY 1 10.439 -2.591 -3.509
6 H CYS 2 HN CYS 2 12.345 -2.479 -0.475
7 HA CYS 2 HA CYS 2 11.398 -4.926 0.583
8 HB2 CYS 2 HB3 CYS 2 12.882 -2.570 1.405
9 HB3 CYS 2 HB2 CYS 2 11.885 -3.182 2.728
10 H CYS 3 HN CYS 3 10.368 -1.696 1.744
11 HA CYS 3 HA CYS 3 7.973 -2.745 3.007
12 HB2 CYS 3 HB3 CYS 3 8.194 0.121 2.110
13 HB3 CYS 3 HB2 CYS 3 7.568 -0.521 3.624
14 HA PRO 4 HA PRO 4 5.243 -2.687 -0.453
15 HB2 PRO 4 HB3 PRO 4 2.889 -1.839 0.650
16 HB3 PRO 4 HB2 PRO 4 3.578 -3.444 0.973
17 HG2 PRO 4 HG2 PRO 4 3.534 -1.028 2.680
18 HG3 PRO 4 HG3 PRO 4 3.512 -2.737 3.134
19 HD2 PRO 4 HD2 PRO 4 5.728 -1.052 3.238
20 HD3 PRO 4 HD3 PRO 4 5.770 -2.829 3.288
21 H ALA 5 HN ALA 5 5.905 0.185 1.292
22 HA ALA 5 HA ALA 5 4.430 2.228 0.190
23 HB1 ALA 5 HB1 ALA 5 7.245 1.854 1.068
24 HB2 ALA 5 HB2 ALA 5 6.003 2.927 1.707
25 HB3 ALA 5 HB3 ALA 5 6.857 3.355 0.225
26 HA PRO 6 HA PRO 6 7.316 0.179 -0.269
27 HB2 PRO 6 HB3 PRO 6 9.472 -0.466 -1.785
28 HB3 PRO 6 HB2 PRO 6 7.902 -1.275 -1.960
29 HG2 PRO 6 HG2 PRO 6 9.231 0.600 -3.757
30 HG3 PRO 6 HG3 PRO 6 7.901 -0.522 -4.077
31 HD2 PRO 6 HD2 PRO 6 7.778 2.316 -3.584
32 HD3 PRO 6 HD3 PRO 6 6.458 1.205 -4.008
33 H LEU 7 HN LEU 7 9.453 0.315 0.828
34 HA LEU 7 HA LEU 7 10.880 2.905 0.328
35 HB2 LEU 7 HB3 LEU 7 9.187 2.123 2.508
36 HB3 LEU 7 HB2 LEU 7 10.835 2.307 3.113
37 HG LEU 7 HG LEU 7 10.949 4.535 1.983
38 HD11 LEU 7 1HD1 LEU 7 8.123 4.955 1.701
39 HD12 LEU 7 2HD1 LEU 7 8.586 3.537 0.765
40 HD13 LEU 7 3HD1 LEU 7 9.379 5.083 0.469
41 HD21 LEU 7 1HD2 LEU 7 9.227 3.791 4.244
42 HD22 LEU 7 2HD2 LEU 7 8.783 5.336 3.519
43 HD23 LEU 7 3HD2 LEU 7 10.421 5.083 4.124
44 H THR 8 HN THR 8 13.028 2.904 1.566
45 HA THR 8 HA THR 8 14.809 0.954 0.779
46 HB THR 8 HB THR 8 15.355 3.091 1.896
47 HG1 THR 8 HG1 THR 8 17.052 2.276 3.127
48 HG21 THR 8 1HG2 THR 8 15.260 2.604 4.597
49 HG22 THR 8 2HG2 THR 8 13.781 1.820 4.042
50 HG23 THR 8 3HG2 THR 8 14.051 3.531 3.707
51 H CYS 9 HN CYS 9 15.891 -0.796 2.104
52 HA CYS 9 HA CYS 9 13.899 -2.589 3.247
53 HB2 CYS 9 HB3 CYS 9 16.841 -2.601 2.669
54 HB3 CYS 9 HB2 CYS 9 16.169 -3.859 3.712
55 H HIS 10 HN HIS 10 15.386 0.070 4.505
56 HA HIS 10 HA HIS 10 15.878 -1.019 7.212
57 HB2 HIS 10 HB3 HIS 10 17.185 0.824 5.898
58 HB3 HIS 10 HB2 HIS 10 15.842 1.879 6.354
59 HD1 HIS 10 HD1 HIS 10 17.854 3.097 7.773
60 HD2 HIS 10 HD2 HIS 10 16.574 -0.621 9.158
61 HE1 HIS 10 HE1 HIS 10 18.669 2.903 10.164
62 H CYS 11 HN CYS 11 13.345 0.324 5.324
63 HA CYS 11 HA CYS 11 11.801 1.321 7.639
64 HB2 CYS 11 HB3 CYS 11 11.197 2.703 5.938
65 HB3 CYS 11 HB2 CYS 11 11.947 1.644 4.747
66 H VAL 12 HN VAL 12 11.785 -1.258 5.238
67 HA VAL 12 HA VAL 12 10.184 -3.028 4.950
68 HB VAL 12 HB VAL 12 12.361 -3.559 6.231
69 HG11 VAL 12 1HG1 VAL 12 12.295 -3.964 8.518
70 HG12 VAL 12 2HG1 VAL 12 10.549 -4.211 8.528
71 HG13 VAL 12 3HG1 VAL 12 11.207 -2.581 8.397
72 HG21 VAL 12 1HG2 VAL 12 10.475 -5.139 5.230
73 HG22 VAL 12 2HG2 VAL 12 10.219 -5.529 6.931
74 HG23 VAL 12 3HG2 VAL 12 11.796 -5.804 6.191
75 H ILE 13 HN ILE 13 8.031 -2.220 5.101
76 HA ILE 13 HA ILE 13 6.865 -1.847 7.801
77 HB ILE 13 HB ILE 13 5.758 -1.671 4.988
78 HG12 ILE 13 HG13 ILE 13 7.487 0.012 5.608
79 HG13 ILE 13 HG12 ILE 13 5.904 0.746 5.354
80 HG21 ILE 13 1HG2 ILE 13 3.738 -1.744 5.995
81 HG22 ILE 13 2HG2 ILE 13 4.149 -0.180 6.699
82 HG23 ILE 13 3HG2 ILE 13 4.462 -1.662 7.602
83 HD11 ILE 13 1HD1 ILE 13 5.693 0.223 7.979
84 HD12 ILE 13 2HD1 ILE 13 6.405 1.720 7.376
85 HD13 ILE 13 3HD1 ILE 13 7.446 0.388 7.878
86 H TYR 14 HN TYR 14 7.772 -4.518 6.431
87 HA TYR 14 HA TYR 14 5.928 -6.247 7.728
88 HB2 TYR 14 HB2 TYR 14 4.335 -5.451 6.074
89 HB3 TYR 14 HB3 TYR 14 5.484 -5.749 4.765
90 HD1 TYR 14 HD1 TYR 14 6.213 -8.127 4.279
91 HD2 TYR 14 HD2 TYR 14 2.953 -7.192 6.916
92 HE1 TYR 14 HE1 TYR 14 5.393 -10.461 4.094
93 HE2 TYR 14 HE2 TYR 14 2.132 -9.524 6.729
94 HH TYR 14 HH TYR 14 3.201 -11.806 6.185
Start of MODEL 22
1 H1 GLY 1 HT1 GLY 1 11.987 -1.362 -3.370
2 H2 GLY 1 HT2 GLY 1 13.613 -0.961 -3.082
3 H3 GLY 1 HT3 GLY 1 12.450 0.266 -3.252
4 HA2 GLY 1 HA2 GLY 1 13.311 -0.617 -0.898
5 HA3 GLY 1 HA1 GLY 1 11.709 0.077 -1.156
6 H CYS 2 HN CYS 2 12.753 -2.185 0.653
7 HA CYS 2 HA CYS 2 11.403 -4.576 -0.370
8 HB2 CYS 2 HB3 CYS 2 12.704 -3.782 2.241
9 HB3 CYS 2 HB2 CYS 2 11.979 -5.363 1.989
10 H CYS 3 HN CYS 3 10.438 -1.764 1.448
11 HA CYS 3 HA CYS 3 8.252 -3.026 2.911
12 HB2 CYS 3 HB3 CYS 3 8.116 -0.151 2.058
13 HB3 CYS 3 HB2 CYS 3 7.733 -0.867 3.617
14 HA PRO 4 HA PRO 4 5.222 -3.131 -0.284
15 HB2 PRO 4 HB3 PRO 4 2.942 -2.310 0.985
16 HB3 PRO 4 HB2 PRO 4 3.697 -3.889 1.292
17 HG2 PRO 4 HG2 PRO 4 3.757 -1.414 2.921
18 HG3 PRO 4 HG3 PRO 4 3.765 -3.106 3.433
19 HD2 PRO 4 HD2 PRO 4 5.987 -1.455 3.348
20 HD3 PRO 4 HD3 PRO 4 6.034 -3.232 3.370
21 H ALA 5 HN ALA 5 6.019 -0.207 1.270
22 HA ALA 5 HA ALA 5 4.379 1.783 0.279
23 HB1 ALA 5 HB1 ALA 5 6.056 2.640 1.558
24 HB2 ALA 5 HB2 ALA 5 6.855 2.875 0.005
25 HB3 ALA 5 HB3 ALA 5 7.229 1.457 0.982
26 HA PRO 6 HA PRO 6 7.292 -0.137 -0.370
27 HB2 PRO 6 HB3 PRO 6 9.376 -0.682 -2.020
28 HB3 PRO 6 HB2 PRO 6 7.867 -1.613 -2.038
29 HG2 PRO 6 HG2 PRO 6 8.906 0.272 -4.006
30 HG3 PRO 6 HG3 PRO 6 7.648 -0.961 -4.177
31 HD2 PRO 6 HD2 PRO 6 7.335 1.875 -3.797
32 HD3 PRO 6 HD3 PRO 6 6.078 0.647 -4.056
33 H LEU 7 HN LEU 7 9.276 0.300 0.738
34 HA LEU 7 HA LEU 7 10.632 2.865 -0.015
35 HB2 LEU 7 HB3 LEU 7 9.002 2.195 2.250
36 HB3 LEU 7 HB2 LEU 7 10.655 2.459 2.807
37 HG LEU 7 HG LEU 7 10.730 4.651 1.842
38 HD11 LEU 7 1HD1 LEU 7 9.721 4.773 -0.193
39 HD12 LEU 7 2HD1 LEU 7 8.287 5.230 0.727
40 HD13 LEU 7 3HD1 LEU 7 8.522 3.556 0.232
41 HD21 LEU 7 1HD2 LEU 7 8.119 5.283 2.682
42 HD22 LEU 7 2HD2 LEU 7 9.580 5.321 3.669
43 HD23 LEU 7 3HD2 LEU 7 8.578 3.869 3.633
44 H THR 8 HN THR 8 12.819 2.999 1.187
45 HA THR 8 HA THR 8 14.668 1.123 0.483
46 HB THR 8 HB THR 8 15.015 3.293 1.707
47 HG1 THR 8 HG1 THR 8 16.923 2.615 2.377
48 HG21 THR 8 1HG2 THR 8 15.079 3.031 4.253
49 HG22 THR 8 2HG2 THR 8 14.137 1.558 4.020
50 HG23 THR 8 3HG2 THR 8 13.477 3.115 3.518
51 H CYS 9 HN CYS 9 15.674 -0.739 1.566
52 HA CYS 9 HA CYS 9 13.721 -2.503 2.796
53 HB2 CYS 9 HB3 CYS 9 16.687 -2.703 2.224
54 HB3 CYS 9 HB2 CYS 9 15.700 -4.053 2.798
55 H HIS 10 HN HIS 10 15.339 0.008 4.103
56 HA HIS 10 HA HIS 10 16.079 -1.282 6.666
57 HB2 HIS 10 HB3 HIS 10 17.052 0.833 5.246
58 HB3 HIS 10 HB2 HIS 10 15.940 1.676 6.328
59 HD1 HIS 10 HD1 HIS 10 16.629 -0.876 8.461
60 HD2 HIS 10 HD2 HIS 10 19.121 2.106 6.949
61 HE1 HIS 10 HE1 HIS 10 18.573 -0.677 10.075
62 H CYS 11 HN CYS 11 13.404 0.124 5.078
63 HA CYS 11 HA CYS 11 11.992 0.951 7.534
64 HB2 CYS 11 HB3 CYS 11 11.220 2.407 5.972
65 HB3 CYS 11 HB2 CYS 11 11.997 1.488 4.686
66 H VAL 12 HN VAL 12 11.748 -1.412 4.917
67 HA VAL 12 HA VAL 12 10.137 -3.156 4.633
68 HB VAL 12 HB VAL 12 12.460 -3.645 5.902
69 HG11 VAL 12 1HG1 VAL 12 11.253 -3.428 8.149
70 HG12 VAL 12 2HG1 VAL 12 12.196 -4.898 7.909
71 HG13 VAL 12 3HG1 VAL 12 10.441 -4.939 7.741
72 HG21 VAL 12 1HG2 VAL 12 12.176 -5.823 5.177
73 HG22 VAL 12 2HG2 VAL 12 10.868 -5.032 4.298
74 HG23 VAL 12 3HG2 VAL 12 10.522 -5.921 5.782
75 H ILE 13 HN ILE 13 8.073 -2.149 5.057
76 HA ILE 13 HA ILE 13 7.087 -2.128 7.854
77 HB ILE 13 HB ILE 13 5.994 -1.302 5.157
78 HG12 ILE 13 HG13 ILE 13 7.738 0.096 6.360
79 HG13 ILE 13 HG12 ILE 13 6.220 0.933 6.032
80 HG21 ILE 13 1HG2 ILE 13 4.391 -0.305 7.297
81 HG22 ILE 13 2HG2 ILE 13 4.511 -2.055 7.484
82 HG23 ILE 13 3HG2 ILE 13 3.903 -1.368 5.978
83 HD11 ILE 13 1HD1 ILE 13 6.457 -0.537 8.620
84 HD12 ILE 13 2HD1 ILE 13 5.588 0.952 8.250
85 HD13 ILE 13 3HD1 ILE 13 7.340 0.982 8.456
86 H TYR 14 HN TYR 14 5.841 -3.764 8.707
87 HA TYR 14 HA TYR 14 5.569 -6.311 7.668
88 HB2 TYR 14 HB2 TYR 14 3.542 -4.770 9.328
89 HB3 TYR 14 HB3 TYR 14 3.687 -6.529 9.254
90 HD1 TYR 14 HD1 TYR 14 6.574 -6.962 9.269
91 HD2 TYR 14 HD2 TYR 14 4.222 -4.135 11.488
92 HE1 TYR 14 HE1 TYR 14 8.316 -6.897 11.031
93 HE2 TYR 14 HE2 TYR 14 5.965 -4.071 13.251
94 HH TYR 14 HH TYR 14 9.029 -5.815 12.872
Start of MODEL 23
1 H1 GLY 1 HT1 GLY 1 13.111 -2.126 -3.647
2 H2 GLY 1 HT2 GLY 1 13.296 -1.200 -2.234
3 H3 GLY 1 HT3 GLY 1 12.920 -0.441 -3.706
4 HA2 GLY 1 HA2 GLY 1 10.923 -0.509 -2.468
5 HA3 GLY 1 HA1 GLY 1 10.796 -1.725 -3.740
6 H CYS 2 HN CYS 2 12.238 -1.566 -0.458
7 HA CYS 2 HA CYS 2 11.632 -4.382 0.037
8 HB2 CYS 2 HB3 CYS 2 12.666 -2.086 1.723
9 HB3 CYS 2 HB2 CYS 2 12.568 -3.753 2.291
10 H CYS 3 HN CYS 3 10.680 -1.432 1.822
11 HA CYS 3 HA CYS 3 8.573 -2.577 3.333
12 HB2 CYS 3 HB3 CYS 3 8.394 0.216 2.174
13 HB3 CYS 3 HB2 CYS 3 7.908 -0.337 3.771
14 HA PRO 4 HA PRO 4 5.341 -3.107 0.371
15 HB2 PRO 4 HB3 PRO 4 3.104 -2.218 1.677
16 HB3 PRO 4 HB2 PRO 4 3.927 -3.735 2.103
17 HG2 PRO 4 HG2 PRO 4 4.005 -1.095 3.453
18 HG3 PRO 4 HG3 PRO 4 4.073 -2.723 4.143
19 HD2 PRO 4 HD2 PRO 4 6.249 -1.065 3.784
20 HD3 PRO 4 HD3 PRO 4 6.337 -2.833 3.957
21 H ALA 5 HN ALA 5 6.116 -0.025 1.603
22 HA ALA 5 HA ALA 5 4.413 1.833 0.479
23 HB1 ALA 5 HB1 ALA 5 6.797 2.996 0.064
24 HB2 ALA 5 HB2 ALA 5 7.322 1.626 1.044
25 HB3 ALA 5 HB3 ALA 5 6.130 2.760 1.679
26 HA PRO 6 HA PRO 6 7.236 -0.265 -0.110
27 HB2 PRO 6 HB3 PRO 6 9.200 -1.083 -1.791
28 HB3 PRO 6 HB2 PRO 6 7.620 -1.887 -1.707
29 HG2 PRO 6 HG2 PRO 6 8.733 -0.199 -3.814
30 HG3 PRO 6 HG3 PRO 6 7.392 -1.353 -3.878
31 HD2 PRO 6 HD2 PRO 6 7.276 1.514 -3.665
32 HD3 PRO 6 HD3 PRO 6 5.933 0.359 -3.804
33 H LEU 7 HN LEU 7 9.463 -0.001 0.735
34 HA LEU 7 HA LEU 7 10.846 2.470 -0.244
35 HB2 LEU 7 HB3 LEU 7 9.330 2.085 2.154
36 HB3 LEU 7 HB2 LEU 7 11.027 2.284 2.596
37 HG LEU 7 HG LEU 7 11.171 4.359 1.355
38 HD11 LEU 7 1HD1 LEU 7 9.879 4.242 -0.542
39 HD12 LEU 7 2HD1 LEU 7 8.747 5.128 0.481
40 HD13 LEU 7 3HD1 LEU 7 8.575 3.387 0.277
41 HD21 LEU 7 1HD2 LEU 7 8.595 4.306 2.961
42 HD22 LEU 7 2HD2 LEU 7 9.579 5.730 2.620
43 HD23 LEU 7 3HD2 LEU 7 10.211 4.449 3.654
44 H THR 8 HN THR 8 12.827 2.439 1.785
45 HA THR 8 HA THR 8 14.679 0.488 0.774
46 HB THR 8 HB THR 8 15.186 2.727 1.783
47 HG1 THR 8 HG1 THR 8 16.747 1.001 1.701
48 HG21 THR 8 1HG2 THR 8 13.625 1.632 3.897
49 HG22 THR 8 2HG2 THR 8 14.318 3.248 3.789
50 HG23 THR 8 3HG2 THR 8 15.241 1.940 4.532
51 H CYS 9 HN CYS 9 15.777 -1.160 2.216
52 HA CYS 9 HA CYS 9 13.816 -2.931 3.438
53 HB2 CYS 9 HB3 CYS 9 16.703 -2.861 2.749
54 HB3 CYS 9 HB2 CYS 9 16.259 -3.951 4.067
55 H HIS 10 HN HIS 10 15.315 -0.179 4.597
56 HA HIS 10 HA HIS 10 15.695 -1.153 7.369
57 HB2 HIS 10 HB3 HIS 10 17.024 0.652 5.941
58 HB3 HIS 10 HB2 HIS 10 15.741 1.728 6.504
59 HD1 HIS 10 HD1 HIS 10 16.621 2.984 8.469
60 HD2 HIS 10 HD2 HIS 10 17.803 -1.013 8.555
61 HE1 HIS 10 HE1 HIS 10 17.889 2.659 10.637
62 H CYS 11 HN CYS 11 13.404 0.557 5.369
63 HA CYS 11 HA CYS 11 11.728 1.370 7.662
64 HB2 CYS 11 HB3 CYS 11 11.295 3.017 6.165
65 HB3 CYS 11 HB2 CYS 11 12.218 2.161 4.934
66 H VAL 12 HN VAL 12 12.152 -1.285 5.571
67 HA VAL 12 HA VAL 12 10.036 -2.560 4.727
68 HB VAL 12 HB VAL 12 12.194 -3.357 6.592
69 HG11 VAL 12 1HG1 VAL 12 10.550 -4.654 7.713
70 HG12 VAL 12 2HG1 VAL 12 11.251 -5.765 6.535
71 HG13 VAL 12 3HG1 VAL 12 9.690 -5.009 6.215
72 HG21 VAL 12 1HG2 VAL 12 11.368 -5.025 4.294
73 HG22 VAL 12 2HG2 VAL 12 12.964 -4.411 4.729
74 HG23 VAL 12 3HG2 VAL 12 11.810 -3.364 3.905
75 H ILE 13 HN ILE 13 7.971 -1.864 5.328
76 HA ILE 13 HA ILE 13 7.177 -1.927 8.185
77 HB ILE 13 HB ILE 13 5.860 -1.158 5.573
78 HG12 ILE 13 HG13 ILE 13 6.717 0.384 8.041
79 HG13 ILE 13 HG12 ILE 13 7.490 0.439 6.456
80 HG21 ILE 13 1HG2 ILE 13 4.659 -0.968 8.347
81 HG22 ILE 13 2HG2 ILE 13 4.204 -2.183 7.152
82 HG23 ILE 13 3HG2 ILE 13 3.902 -0.475 6.832
83 HD11 ILE 13 1HD1 ILE 13 4.761 0.967 5.986
84 HD12 ILE 13 2HD1 ILE 13 6.094 2.120 5.905
85 HD13 ILE 13 3HD1 ILE 13 5.192 1.919 7.408
86 H TYR 14 HN TYR 14 6.984 -3.980 5.383
87 HA TYR 14 HA TYR 14 6.089 -6.160 5.156
88 HB2 TYR 14 HB2 TYR 14 6.861 -5.780 7.805
89 HB3 TYR 14 HB3 TYR 14 5.202 -6.374 7.940
90 HD1 TYR 14 HD1 TYR 14 7.883 -7.816 8.674
91 HD2 TYR 14 HD2 TYR 14 5.307 -7.921 5.238
92 HE1 TYR 14 HE1 TYR 14 8.661 -10.114 8.162
93 HE2 TYR 14 HE2 TYR 14 6.084 -10.218 4.725
94 HH TYR 14 HH TYR 14 7.298 -11.945 5.424
Start of MODEL 24
1 H1 GLY 1 HT1 GLY 1 12.614 -0.944 -4.755
2 H2 GLY 1 HT2 GLY 1 11.691 -2.364 -4.892
3 H3 GLY 1 HT3 GLY 1 13.043 -2.322 -3.863
4 HA2 GLY 1 HA2 GLY 1 11.831 -0.459 -2.640
5 HA3 GLY 1 HA1 GLY 1 10.406 -1.045 -3.503
6 H CYS 2 HN CYS 2 12.206 -1.437 -0.708
7 HA CYS 2 HA CYS 2 11.774 -4.309 -0.326
8 HB2 CYS 2 HB3 CYS 2 12.662 -2.012 1.440
9 HB3 CYS 2 HB2 CYS 2 12.649 -3.698 1.963
10 H CYS 3 HN CYS 3 10.698 -1.538 1.643
11 HA CYS 3 HA CYS 3 8.590 -2.842 3.005
12 HB2 CYS 3 HB3 CYS 3 8.501 0.040 2.050
13 HB3 CYS 3 HB2 CYS 3 7.844 -0.620 3.545
14 HA PRO 4 HA PRO 4 5.411 -3.215 -0.047
15 HB2 PRO 4 HB3 PRO 4 3.145 -2.524 1.329
16 HB3 PRO 4 HB2 PRO 4 4.004 -4.056 1.597
17 HG2 PRO 4 HG2 PRO 4 4.039 -1.558 3.207
18 HG3 PRO 4 HG3 PRO 4 4.096 -3.246 3.736
19 HD2 PRO 4 HD2 PRO 4 6.284 -1.600 3.605
20 HD3 PRO 4 HD3 PRO 4 6.364 -3.373 3.512
21 H ALA 5 HN ALA 5 6.250 -0.270 1.350
22 HA ALA 5 HA ALA 5 4.413 1.638 0.435
23 HB1 ALA 5 HB1 ALA 5 7.255 1.463 1.182
24 HB2 ALA 5 HB2 ALA 5 6.023 2.613 1.705
25 HB3 ALA 5 HB3 ALA 5 6.848 2.844 0.165
26 HA PRO 6 HA PRO 6 7.392 -0.190 -0.231
27 HB2 PRO 6 HB3 PRO 6 9.522 -0.619 -1.857
28 HB3 PRO 6 HB2 PRO 6 8.040 -1.590 -1.945
29 HG2 PRO 6 HG2 PRO 6 9.058 0.423 -3.803
30 HG3 PRO 6 HG3 PRO 6 7.875 -0.866 -4.068
31 HD2 PRO 6 HD2 PRO 6 7.389 1.925 -3.610
32 HD3 PRO 6 HD3 PRO 6 6.204 0.633 -3.902
33 H LEU 7 HN LEU 7 9.666 0.108 0.627
34 HA LEU 7 HA LEU 7 10.862 2.773 0.040
35 HB2 LEU 7 HB3 LEU 7 9.178 2.155 2.254
36 HB3 LEU 7 HB2 LEU 7 10.820 2.341 2.874
37 HG LEU 7 HG LEU 7 11.025 4.518 1.789
38 HD11 LEU 7 1HD1 LEU 7 8.287 3.818 0.716
39 HD12 LEU 7 2HD1 LEU 7 9.735 4.219 -0.204
40 HD13 LEU 7 3HD1 LEU 7 8.904 5.467 0.724
41 HD21 LEU 7 1HD2 LEU 7 9.415 5.753 3.127
42 HD22 LEU 7 2HD2 LEU 7 9.929 4.339 4.048
43 HD23 LEU 7 3HD2 LEU 7 8.363 4.341 3.236
44 H THR 8 HN THR 8 12.871 2.866 1.816
45 HA THR 8 HA THR 8 14.837 1.075 0.940
46 HB THR 8 HB THR 8 15.283 3.146 2.149
47 HG1 THR 8 HG1 THR 8 16.841 1.510 2.341
48 HG21 THR 8 1HG2 THR 8 14.755 3.413 4.499
49 HG22 THR 8 2HG2 THR 8 14.161 1.756 4.594
50 HG23 THR 8 3HG2 THR 8 13.280 2.956 3.649
51 H CYS 9 HN CYS 9 15.880 -0.741 2.094
52 HA CYS 9 HA CYS 9 13.967 -2.696 3.060
53 HB2 CYS 9 HB3 CYS 9 16.778 -2.482 2.282
54 HB3 CYS 9 HB2 CYS 9 16.541 -3.587 3.641
55 H HIS 10 HN HIS 10 15.435 -0.096 4.593
56 HA HIS 10 HA HIS 10 15.764 -1.417 7.222
57 HB2 HIS 10 HB3 HIS 10 17.022 0.634 5.958
58 HB3 HIS 10 HB2 HIS 10 15.825 1.543 6.889
59 HD1 HIS 10 HD1 HIS 10 18.428 2.159 7.958
60 HD2 HIS 10 HD2 HIS 10 16.567 -1.410 9.044
61 HE1 HIS 10 HE1 HIS 10 19.529 1.403 10.109
62 H CYS 11 HN CYS 11 13.383 0.247 5.380
63 HA CYS 11 HA CYS 11 11.775 1.061 7.724
64 HB2 CYS 11 HB3 CYS 11 11.240 2.645 6.192
65 HB3 CYS 11 HB2 CYS 11 12.128 1.770 4.948
66 H VAL 12 HN VAL 12 12.055 -1.537 5.451
67 HA VAL 12 HA VAL 12 10.165 -3.021 4.769
68 HB VAL 12 HB VAL 12 12.287 -3.866 5.917
69 HG11 VAL 12 1HG1 VAL 12 11.169 -3.005 8.209
70 HG12 VAL 12 2HG1 VAL 12 12.318 -4.342 8.163
71 HG13 VAL 12 3HG1 VAL 12 10.586 -4.669 8.223
72 HG21 VAL 12 1HG2 VAL 12 9.855 -5.158 5.212
73 HG22 VAL 12 2HG2 VAL 12 10.450 -5.941 6.676
74 HG23 VAL 12 3HG2 VAL 12 11.476 -5.853 5.245
75 H ILE 13 HN ILE 13 8.107 -1.929 5.092
76 HA ILE 13 HA ILE 13 6.962 -2.009 7.823
77 HB ILE 13 HB ILE 13 6.396 -0.751 5.201
78 HG12 ILE 13 HG13 ILE 13 5.331 0.633 7.450
79 HG13 ILE 13 HG12 ILE 13 6.892 -0.041 7.922
80 HG21 ILE 13 1HG2 ILE 13 4.022 -0.362 5.682
81 HG22 ILE 13 2HG2 ILE 13 4.131 -1.372 7.123
82 HG23 ILE 13 3HG2 ILE 13 4.322 -2.092 5.525
83 HD11 ILE 13 1HD1 ILE 13 6.301 2.137 6.078
84 HD12 ILE 13 2HD1 ILE 13 7.335 0.909 5.350
85 HD13 ILE 13 3HD1 ILE 13 7.828 1.702 6.846
86 H TYR 14 HN TYR 14 6.236 -3.931 8.491
87 HA TYR 14 HA TYR 14 5.794 -6.289 7.190
88 HB2 TYR 14 HB2 TYR 14 5.166 -5.121 9.661
89 HB3 TYR 14 HB3 TYR 14 3.629 -5.766 9.069
90 HD1 TYR 14 HD1 TYR 14 6.337 -6.591 11.030
91 HD2 TYR 14 HD2 TYR 14 4.062 -8.162 7.743
92 HE1 TYR 14 HE1 TYR 14 7.068 -8.886 11.621
93 HE2 TYR 14 HE2 TYR 14 4.794 -10.457 8.333
94 HH TYR 14 HH TYR 14 5.634 -11.560 10.724
Start of MODEL 25
1 H1 GLY 1 HT1 GLY 1 13.221 -1.348 -3.282
2 H2 GLY 1 HT2 GLY 1 12.591 -1.807 -4.792
3 H3 GLY 1 HT3 GLY 1 12.955 -2.986 -3.624
4 HA2 GLY 1 HA2 GLY 1 11.028 -0.888 -2.933
5 HA3 GLY 1 HA1 GLY 1 10.507 -2.201 -3.989
6 H CYS 2 HN CYS 2 12.159 -1.639 -0.866
7 HA CYS 2 HA CYS 2 11.682 -4.367 0.042
8 HB2 CYS 2 HB3 CYS 2 12.514 -1.828 1.478
9 HB3 CYS 2 HB2 CYS 2 12.644 -3.463 2.130
10 H CYS 3 HN CYS 3 10.728 -1.428 1.794
11 HA CYS 3 HA CYS 3 8.553 -2.517 3.198
12 HB2 CYS 3 HB3 CYS 3 8.482 0.283 2.033
13 HB3 CYS 3 HB2 CYS 3 7.880 -0.261 3.594
14 HA PRO 4 HA PRO 4 5.368 -3.048 0.187
15 HB2 PRO 4 HB3 PRO 4 3.127 -2.212 1.521
16 HB3 PRO 4 HB2 PRO 4 3.961 -3.736 1.899
17 HG2 PRO 4 HG2 PRO 4 4.051 -1.124 3.316
18 HG3 PRO 4 HG3 PRO 4 4.083 -2.768 3.971
19 HD2 PRO 4 HD2 PRO 4 6.297 -1.170 3.697
20 HD3 PRO 4 HD3 PRO 4 6.347 -2.946 3.747
21 H ALA 5 HN ALA 5 6.302 -0.030 1.326
22 HA ALA 5 HA ALA 5 4.466 1.821 0.253
23 HB1 ALA 5 HB1 ALA 5 7.316 1.710 1.046
24 HB2 ALA 5 HB2 ALA 5 6.043 2.812 1.571
25 HB3 ALA 5 HB3 ALA 5 6.848 3.069 0.023
26 HA PRO 6 HA PRO 6 7.447 -0.079 -0.202
27 HB2 PRO 6 HB3 PRO 6 9.600 -0.668 -1.744
28 HB3 PRO 6 HB2 PRO 6 8.094 -1.602 -1.811
29 HG2 PRO 6 HG2 PRO 6 9.213 0.255 -3.767
30 HG3 PRO 6 HG3 PRO 6 7.990 -1.008 -3.974
31 HD2 PRO 6 HD2 PRO 6 7.598 1.826 -3.690
32 HD3 PRO 6 HD3 PRO 6 6.377 0.563 -3.955
33 H LEU 7 HN LEU 7 9.687 0.225 0.701
34 HA LEU 7 HA LEU 7 10.937 2.852 0.012
35 HB2 LEU 7 HB3 LEU 7 9.277 2.244 2.267
36 HB3 LEU 7 HB2 LEU 7 10.926 2.491 2.844
37 HG LEU 7 HG LEU 7 11.049 4.651 1.745
38 HD11 LEU 7 1HD1 LEU 7 9.851 4.508 -0.242
39 HD12 LEU 7 2HD1 LEU 7 8.715 5.423 0.750
40 HD13 LEU 7 3HD1 LEU 7 8.491 3.691 0.522
41 HD21 LEU 7 1HD2 LEU 7 9.421 5.859 3.063
42 HD22 LEU 7 2HD2 LEU 7 9.907 4.443 3.996
43 HD23 LEU 7 3HD2 LEU 7 8.364 4.449 3.143
44 H THR 8 HN THR 8 12.991 2.966 1.698
45 HA THR 8 HA THR 8 14.934 1.149 0.909
46 HB THR 8 HB THR 8 15.180 3.257 2.267
47 HG1 THR 8 HG1 THR 8 16.465 1.300 3.756
48 HG21 THR 8 1HG2 THR 8 15.112 2.206 4.873
49 HG22 THR 8 2HG2 THR 8 13.623 1.659 4.104
50 HG23 THR 8 3HG2 THR 8 13.995 3.380 4.175
51 H CYS 9 HN CYS 9 15.992 -0.607 2.331
52 HA CYS 9 HA CYS 9 13.938 -2.556 3.108
53 HB2 CYS 9 HB3 CYS 9 16.785 -2.451 2.416
54 HB3 CYS 9 HB2 CYS 9 16.431 -3.597 3.715
55 H HIS 10 HN HIS 10 15.344 -0.014 4.719
56 HA HIS 10 HA HIS 10 15.633 -1.388 7.330
57 HB2 HIS 10 HB3 HIS 10 16.795 0.800 6.090
58 HB3 HIS 10 HB2 HIS 10 15.656 1.556 7.209
59 HD1 HIS 10 HD1 HIS 10 15.877 -0.787 9.375
60 HD2 HIS 10 HD2 HIS 10 19.073 1.307 7.709
61 HE1 HIS 10 HE1 HIS 10 17.800 -0.998 11.009
62 H CYS 11 HN CYS 11 13.369 0.457 5.474
63 HA CYS 11 HA CYS 11 11.600 1.025 7.776
64 HB2 CYS 11 HB3 CYS 11 11.209 2.793 6.402
65 HB3 CYS 11 HB2 CYS 11 12.145 2.035 5.119
66 H VAL 12 HN VAL 12 12.151 -1.419 5.448
67 HA VAL 12 HA VAL 12 10.075 -2.635 4.431
68 HB VAL 12 HB VAL 12 12.301 -3.540 6.089
69 HG11 VAL 12 1HG1 VAL 12 11.247 -5.975 6.035
70 HG12 VAL 12 2HG1 VAL 12 9.732 -5.087 6.184
71 HG13 VAL 12 3HG1 VAL 12 10.980 -4.915 7.419
72 HG21 VAL 12 1HG2 VAL 12 12.807 -4.087 3.964
73 HG22 VAL 12 2HG2 VAL 12 11.128 -3.916 3.455
74 HG23 VAL 12 3HG2 VAL 12 11.692 -5.442 4.135
75 H ILE 13 HN ILE 13 8.010 -1.958 5.064
76 HA ILE 13 HA ILE 13 7.142 -2.378 7.868
77 HB ILE 13 HB ILE 13 5.640 -1.404 5.416
78 HG12 ILE 13 HG13 ILE 13 7.648 -0.033 5.936
79 HG13 ILE 13 HG12 ILE 13 6.154 0.850 6.251
80 HG21 ILE 13 1HG2 ILE 13 4.371 -0.222 7.391
81 HG22 ILE 13 2HG2 ILE 13 5.054 -1.529 8.357
82 HG23 ILE 13 3HG2 ILE 13 3.997 -1.899 6.994
83 HD11 ILE 13 1HD1 ILE 13 7.841 -0.588 8.319
84 HD12 ILE 13 2HD1 ILE 13 6.313 0.229 8.649
85 HD13 ILE 13 3HD1 ILE 13 7.714 1.159 8.116
86 H TYR 14 HN TYR 14 6.271 -4.291 8.496
87 HA TYR 14 HA TYR 14 4.850 -5.951 6.442
88 HB2 TYR 14 HB2 TYR 14 5.854 -7.903 7.723
89 HB3 TYR 14 HB3 TYR 14 7.032 -6.902 6.863
90 HD1 TYR 14 HD1 TYR 14 8.338 -5.155 8.132
91 HD2 TYR 14 HD2 TYR 14 5.885 -8.080 10.103
92 HE1 TYR 14 HE1 TYR 14 9.511 -4.700 10.268
93 HE2 TYR 14 HE2 TYR 14 7.056 -7.621 12.238
94 HH TYR 14 HH TYR 14 8.358 -5.866 13.282
Start of MODEL 26
1 H1 GLY 1 HT1 GLY 1 12.851 -3.330 -3.380
2 H2 GLY 1 HT2 GLY 1 13.176 -1.693 -3.059
3 H3 GLY 1 HT3 GLY 1 12.584 -2.162 -4.581
4 HA2 GLY 1 HA2 GLY 1 10.992 -1.133 -2.810
5 HA3 GLY 1 HA1 GLY 1 10.454 -2.454 -3.848
6 H CYS 2 HN CYS 2 12.140 -1.945 -0.732
7 HA CYS 2 HA CYS 2 11.446 -4.593 0.253
8 HB2 CYS 2 HB3 CYS 2 13.022 -2.274 0.990
9 HB3 CYS 2 HB2 CYS 2 12.123 -2.885 2.383
10 H CYS 3 HN CYS 3 10.656 -1.532 1.898
11 HA CYS 3 HA CYS 3 8.415 -2.451 3.320
12 HB2 CYS 3 HB3 CYS 3 8.476 0.293 2.027
13 HB3 CYS 3 HB2 CYS 3 7.834 -0.151 3.600
14 HA PRO 4 HA PRO 4 5.280 -2.946 0.264
15 HB2 PRO 4 HB3 PRO 4 3.033 -1.985 1.494
16 HB3 PRO 4 HB2 PRO 4 3.810 -3.513 1.959
17 HG2 PRO 4 HG2 PRO 4 3.876 -0.875 3.298
18 HG3 PRO 4 HG3 PRO 4 3.957 -2.500 3.991
19 HD2 PRO 4 HD2 PRO 4 6.117 -0.789 3.603
20 HD3 PRO 4 HD3 PRO 4 6.222 -2.541 3.892
21 H ALA 5 HN ALA 5 6.189 0.132 1.352
22 HA ALA 5 HA ALA 5 4.465 1.945 0.096
23 HB1 ALA 5 HB1 ALA 5 7.258 1.820 1.012
24 HB2 ALA 5 HB2 ALA 5 6.037 3.059 1.294
25 HB3 ALA 5 HB3 ALA 5 6.948 3.048 -0.215
26 HA PRO 6 HA PRO 6 7.365 -0.149 -0.206
27 HB2 PRO 6 HB3 PRO 6 9.579 -0.776 -1.636
28 HB3 PRO 6 HB2 PRO 6 8.081 -1.721 -1.728
29 HG2 PRO 6 HG2 PRO 6 9.255 0.128 -3.681
30 HG3 PRO 6 HG3 PRO 6 8.127 -1.213 -3.925
31 HD2 PRO 6 HD2 PRO 6 7.524 1.561 -3.842
32 HD3 PRO 6 HD3 PRO 6 6.382 0.207 -3.959
33 H LEU 7 HN LEU 7 9.639 0.149 0.702
34 HA LEU 7 HA LEU 7 10.848 2.794 0.019
35 HB2 LEU 7 HB3 LEU 7 9.168 2.205 2.240
36 HB3 LEU 7 HB2 LEU 7 10.808 2.391 2.867
37 HG LEU 7 HG LEU 7 11.029 4.565 1.835
38 HD11 LEU 7 1HD1 LEU 7 8.500 3.715 0.460
39 HD12 LEU 7 2HD1 LEU 7 9.960 4.409 -0.240
40 HD13 LEU 7 3HD1 LEU 7 8.841 5.430 0.665
41 HD21 LEU 7 1HD2 LEU 7 8.809 5.649 2.785
42 HD22 LEU 7 2HD2 LEU 7 9.973 4.914 3.887
43 HD23 LEU 7 3HD2 LEU 7 8.528 4.024 3.409
44 H THR 8 HN THR 8 12.903 2.947 1.690
45 HA THR 8 HA THR 8 14.878 1.180 0.885
46 HB THR 8 HB THR 8 15.170 3.253 2.226
47 HG1 THR 8 HG1 THR 8 16.776 1.538 2.172
48 HG21 THR 8 1HG2 THR 8 13.559 1.681 4.110
49 HG22 THR 8 2HG2 THR 8 13.777 3.428 4.002
50 HG23 THR 8 3HG2 THR 8 14.964 2.443 4.855
51 H CYS 9 HN CYS 9 15.991 -0.540 2.310
52 HA CYS 9 HA CYS 9 13.971 -2.536 3.086
53 HB2 CYS 9 HB3 CYS 9 16.935 -2.430 2.612
54 HB3 CYS 9 HB2 CYS 9 16.236 -3.826 3.440
55 H HIS 10 HN HIS 10 15.279 -0.001 4.697
56 HA HIS 10 HA HIS 10 15.760 -1.432 7.258
57 HB2 HIS 10 HB3 HIS 10 17.085 0.570 6.148
58 HB3 HIS 10 HB2 HIS 10 15.798 1.548 6.864
59 HD1 HIS 10 HD1 HIS 10 18.885 -0.291 7.701
60 HD2 HIS 10 HD2 HIS 10 15.621 1.263 9.777
61 HE1 HIS 10 HE1 HIS 10 19.550 -0.236 10.145
62 H CYS 11 HN CYS 11 13.383 0.469 5.577
63 HA CYS 11 HA CYS 11 11.802 1.113 7.965
64 HB2 CYS 11 HB3 CYS 11 11.187 2.711 6.477
65 HB3 CYS 11 HB2 CYS 11 12.064 1.880 5.198
66 H VAL 12 HN VAL 12 11.706 -1.127 5.253
67 HA VAL 12 HA VAL 12 9.980 -2.736 4.722
68 HB VAL 12 HB VAL 12 12.153 -3.589 5.714
69 HG11 VAL 12 1HG1 VAL 12 12.394 -3.896 7.942
70 HG12 VAL 12 2HG1 VAL 12 10.782 -4.592 8.103
71 HG13 VAL 12 3HG1 VAL 12 10.991 -2.840 8.110
72 HG21 VAL 12 1HG2 VAL 12 11.241 -5.496 4.934
73 HG22 VAL 12 2HG2 VAL 12 9.615 -4.930 5.320
74 HG23 VAL 12 3HG2 VAL 12 10.571 -5.768 6.542
75 H ILE 13 HN ILE 13 7.897 -1.694 5.200
76 HA ILE 13 HA ILE 13 6.844 -2.073 7.958
77 HB ILE 13 HB ILE 13 5.830 -0.831 5.395
78 HG12 ILE 13 HG13 ILE 13 5.591 0.838 7.671
79 HG13 ILE 13 HG12 ILE 13 7.180 0.073 7.764
80 HG21 ILE 13 1HG2 ILE 13 3.712 -1.213 6.049
81 HG22 ILE 13 2HG2 ILE 13 4.036 -0.228 7.476
82 HG23 ILE 13 3HG2 ILE 13 4.266 -1.976 7.541
83 HD11 ILE 13 1HD1 ILE 13 6.056 1.837 5.618
84 HD12 ILE 13 2HD1 ILE 13 7.309 0.663 5.220
85 HD13 ILE 13 3HD1 ILE 13 7.626 1.919 6.417
86 H TYR 14 HN TYR 14 7.464 -4.443 7.264
87 HA TYR 14 HA TYR 14 6.355 -6.219 5.619
88 HB2 TYR 14 HB2 TYR 14 6.587 -7.812 7.341
89 HB3 TYR 14 HB3 TYR 14 7.629 -6.488 7.869
90 HD1 TYR 14 HD1 TYR 14 6.047 -4.518 9.077
91 HD2 TYR 14 HD2 TYR 14 5.380 -8.762 9.089
92 HE1 TYR 14 HE1 TYR 14 4.724 -4.304 11.163
93 HE2 TYR 14 HE2 TYR 14 4.057 -8.547 11.176
94 HH TYR 14 HH TYR 14 3.102 -7.121 12.605
Start of MODEL 27
1 H1 GLY 1 HT1 GLY 1 10.251 -8.351 -0.385
2 H2 GLY 1 HT2 GLY 1 11.534 -7.478 -1.079
3 H3 GLY 1 HT3 GLY 1 10.306 -6.663 -0.233
4 HA2 GLY 1 HA2 GLY 1 11.233 -8.461 1.591
5 HA3 GLY 1 HA1 GLY 1 12.684 -7.907 0.756
6 H CYS 2 HN CYS 2 11.767 -5.275 0.109
7 HA CYS 2 HA CYS 2 12.306 -3.945 2.636
8 HB2 CYS 2 HB3 CYS 2 11.341 -2.736 0.032
9 HB3 CYS 2 HB2 CYS 2 12.369 -1.988 1.256
10 H CYS 3 HN CYS 3 10.311 -1.739 1.619
11 HA CYS 3 HA CYS 3 8.043 -2.728 3.274
12 HB2 CYS 3 HB3 CYS 3 8.078 0.034 2.151
13 HB3 CYS 3 HB2 CYS 3 7.680 -0.507 3.780
14 HA PRO 4 HA PRO 4 5.295 -2.999 -0.149
15 HB2 PRO 4 HB3 PRO 4 2.969 -1.990 0.871
16 HB3 PRO 4 HB2 PRO 4 3.642 -3.553 1.382
17 HG2 PRO 4 HG2 PRO 4 3.652 -0.945 2.778
18 HG3 PRO 4 HG3 PRO 4 3.612 -2.584 3.441
19 HD2 PRO 4 HD2 PRO 4 5.852 -0.930 3.305
20 HD3 PRO 4 HD3 PRO 4 5.870 -2.687 3.583
21 H ALA 5 HN ALA 5 5.853 0.083 1.317
22 HA ALA 5 HA ALA 5 4.466 2.017 0.022
23 HB1 ALA 5 HB1 ALA 5 7.013 2.958 -0.270
24 HB2 ALA 5 HB2 ALA 5 7.266 1.629 0.863
25 HB3 ALA 5 HB3 ALA 5 6.141 2.927 1.262
26 HA PRO 6 HA PRO 6 7.306 -0.075 -0.351
27 HB2 PRO 6 HB3 PRO 6 9.432 -0.834 -1.853
28 HB3 PRO 6 HB2 PRO 6 7.888 -1.710 -1.858
29 HG2 PRO 6 HG2 PRO 6 9.076 -0.023 -3.929
30 HG3 PRO 6 HG3 PRO 6 7.798 -1.241 -4.060
31 HD2 PRO 6 HD2 PRO 6 7.528 1.617 -3.953
32 HD3 PRO 6 HD3 PRO 6 6.253 0.393 -4.128
33 H LEU 7 HN LEU 7 9.262 0.367 0.777
34 HA LEU 7 HA LEU 7 10.645 2.909 -0.024
35 HB2 LEU 7 HB3 LEU 7 9.153 2.074 2.316
36 HB3 LEU 7 HB2 LEU 7 10.808 2.485 2.766
37 HG LEU 7 HG LEU 7 10.589 4.655 1.626
38 HD11 LEU 7 1HD1 LEU 7 8.747 3.522 0.078
39 HD12 LEU 7 2HD1 LEU 7 8.736 5.259 0.374
40 HD13 LEU 7 3HD1 LEU 7 7.652 4.202 1.279
41 HD21 LEU 7 1HD2 LEU 7 8.592 5.514 3.084
42 HD22 LEU 7 2HD2 LEU 7 10.006 4.844 3.896
43 HD23 LEU 7 3HD2 LEU 7 8.553 3.863 3.702
44 H THR 8 HN THR 8 12.815 2.960 1.462
45 HA THR 8 HA THR 8 14.661 1.104 0.519
46 HB THR 8 HB THR 8 15.160 3.170 1.799
47 HG1 THR 8 HG1 THR 8 16.470 1.008 1.855
48 HG21 THR 8 1HG2 THR 8 13.661 1.665 3.869
49 HG22 THR 8 2HG2 THR 8 13.755 3.404 3.588
50 HG23 THR 8 3HG2 THR 8 15.061 2.576 4.436
51 H CYS 9 HN CYS 9 15.609 -0.836 1.549
52 HA CYS 9 HA CYS 9 13.585 -2.601 2.665
53 HB2 CYS 9 HB3 CYS 9 16.202 -2.717 1.469
54 HB3 CYS 9 HB2 CYS 9 16.190 -3.687 2.947
55 H HIS 10 HN HIS 10 15.304 -0.161 4.087
56 HA HIS 10 HA HIS 10 15.902 -1.547 6.634
57 HB2 HIS 10 HB3 HIS 10 17.416 0.173 5.734
58 HB3 HIS 10 HB2 HIS 10 16.091 1.340 5.696
59 HD1 HIS 10 HD1 HIS 10 18.548 -0.265 7.981
60 HD2 HIS 10 HD2 HIS 10 15.220 2.223 8.312
61 HE1 HIS 10 HE1 HIS 10 18.574 0.656 10.340
62 H CYS 11 HN CYS 11 13.353 0.179 5.101
63 HA CYS 11 HA CYS 11 12.022 0.982 7.611
64 HB2 CYS 11 HB3 CYS 11 11.309 2.559 6.136
65 HB3 CYS 11 HB2 CYS 11 12.038 1.670 4.803
66 H VAL 12 HN VAL 12 11.696 -1.351 4.988
67 HA VAL 12 HA VAL 12 9.981 -3.016 4.657
68 HB VAL 12 HB VAL 12 12.122 -3.879 5.613
69 HG11 VAL 12 1HG1 VAL 12 12.578 -3.706 7.814
70 HG12 VAL 12 2HG1 VAL 12 11.058 -4.493 8.239
71 HG13 VAL 12 3HG1 VAL 12 11.106 -2.750 7.984
72 HG21 VAL 12 1HG2 VAL 12 11.237 -6.054 6.196
73 HG22 VAL 12 2HG2 VAL 12 10.177 -5.358 4.970
74 HG23 VAL 12 3HG2 VAL 12 9.688 -5.353 6.664
75 H ILE 13 HN ILE 13 7.927 -1.963 5.064
76 HA ILE 13 HA ILE 13 6.908 -1.924 7.845
77 HB ILE 13 HB ILE 13 5.839 -1.105 5.133
78 HG12 ILE 13 HG13 ILE 13 7.550 0.372 6.036
79 HG13 ILE 13 HG12 ILE 13 5.983 1.167 6.190
80 HG21 ILE 13 1HG2 ILE 13 4.401 -1.675 7.584
81 HG22 ILE 13 2HG2 ILE 13 3.765 -1.214 6.005
82 HG23 ILE 13 3HG2 ILE 13 4.252 0.031 7.157
83 HD11 ILE 13 1HD1 ILE 13 7.609 -0.187 8.345
84 HD12 ILE 13 2HD1 ILE 13 5.889 0.145 8.550
85 HD13 ILE 13 3HD1 ILE 13 7.021 1.475 8.304
86 H TYR 14 HN TYR 14 7.375 -4.495 7.471
87 HA TYR 14 HA TYR 14 6.409 -6.645 7.313
88 HB2 TYR 14 HB2 TYR 14 4.426 -4.687 8.266
89 HB3 TYR 14 HB3 TYR 14 3.706 -6.157 7.600
90 HD1 TYR 14 HD1 TYR 14 5.632 -8.235 8.246
91 HD2 TYR 14 HD2 TYR 14 4.360 -4.878 10.606
92 HE1 TYR 14 HE1 TYR 14 6.224 -9.466 10.315
93 HE2 TYR 14 HE2 TYR 14 4.950 -6.111 12.675
94 HH TYR 14 HH TYR 14 5.699 -9.473 12.663
Start of MODEL 28
1 H1 GLY 1 HT1 GLY 1 11.701 -1.875 -4.999
2 H2 GLY 1 HT2 GLY 1 12.043 -3.269 -4.090
3 H3 GLY 1 HT3 GLY 1 13.167 -1.996 -4.156
4 HA2 GLY 1 HA2 GLY 1 12.167 -0.837 -2.554
5 HA3 GLY 1 HA1 GLY 1 10.569 -1.182 -3.221
6 H CYS 2 HN CYS 2 12.022 -1.508 -0.438
7 HA CYS 2 HA CYS 2 11.569 -4.385 0.062
8 HB2 CYS 2 HB3 CYS 2 13.114 -2.220 1.126
9 HB3 CYS 2 HB2 CYS 2 12.110 -2.877 2.422
10 H CYS 3 HN CYS 3 10.468 -1.390 1.686
11 HA CYS 3 HA CYS 3 8.270 -2.623 3.062
12 HB2 CYS 3 HB3 CYS 3 8.322 0.260 2.120
13 HB3 CYS 3 HB2 CYS 3 7.668 -0.382 3.625
14 HA PRO 4 HA PRO 4 5.215 -2.851 -0.115
15 HB2 PRO 4 HB3 PRO 4 2.936 -1.817 0.991
16 HB3 PRO 4 HB2 PRO 4 3.617 -3.385 1.477
17 HG2 PRO 4 HG2 PRO 4 3.755 -0.756 2.844
18 HG3 PRO 4 HG3 PRO 4 3.645 -2.383 3.529
19 HD2 PRO 4 HD2 PRO 4 5.954 -0.892 3.389
20 HD3 PRO 4 HD3 PRO 4 5.904 -2.663 3.538
21 H ALA 5 HN ALA 5 5.979 0.218 1.217
22 HA ALA 5 HA ALA 5 4.462 2.098 -0.124
23 HB1 ALA 5 HB1 ALA 5 6.012 3.132 1.162
24 HB2 ALA 5 HB2 ALA 5 6.996 3.113 -0.300
25 HB3 ALA 5 HB3 ALA 5 7.197 1.850 0.916
26 HA PRO 6 HA PRO 6 7.271 -0.127 -0.382
27 HB2 PRO 6 HB3 PRO 6 9.527 -0.789 -1.729
28 HB3 PRO 6 HB2 PRO 6 7.996 -1.661 -1.944
29 HG2 PRO 6 HG2 PRO 6 9.340 0.238 -3.737
30 HG3 PRO 6 HG3 PRO 6 8.193 -1.058 -4.110
31 HD2 PRO 6 HD2 PRO 6 7.654 1.717 -3.941
32 HD3 PRO 6 HD3 PRO 6 6.480 0.400 -4.148
33 H LEU 7 HN LEU 7 9.470 0.079 0.708
34 HA LEU 7 HA LEU 7 10.784 2.703 0.127
35 HB2 LEU 7 HB3 LEU 7 9.017 2.090 2.263
36 HB3 LEU 7 HB2 LEU 7 10.635 2.212 2.957
37 HG LEU 7 HG LEU 7 10.953 4.413 2.030
38 HD11 LEU 7 1HD1 LEU 7 8.529 3.652 0.448
39 HD12 LEU 7 2HD1 LEU 7 10.024 4.400 -0.104
40 HD13 LEU 7 3HD1 LEU 7 8.826 5.356 0.771
41 HD21 LEU 7 1HD2 LEU 7 9.806 4.957 3.925
42 HD22 LEU 7 2HD2 LEU 7 8.516 3.801 3.590
43 HD23 LEU 7 3HD2 LEU 7 8.510 5.382 2.808
44 H THR 8 HN THR 8 12.875 2.862 1.463
45 HA THR 8 HA THR 8 14.799 1.030 0.805
46 HB THR 8 HB THR 8 15.108 3.193 1.985
47 HG1 THR 8 HG1 THR 8 16.790 2.440 3.357
48 HG21 THR 8 1HG2 THR 8 14.980 2.590 4.667
49 HG22 THR 8 2HG2 THR 8 13.576 1.734 4.029
50 HG23 THR 8 3HG2 THR 8 13.741 3.472 3.774
51 H CYS 9 HN CYS 9 15.895 -0.699 2.088
52 HA CYS 9 HA CYS 9 13.969 -2.595 3.195
53 HB2 CYS 9 HB3 CYS 9 16.945 -2.510 2.702
54 HB3 CYS 9 HB2 CYS 9 16.195 -3.878 3.532
55 H HIS 10 HN HIS 10 15.378 0.088 4.504
56 HA HIS 10 HA HIS 10 15.975 -1.067 7.165
57 HB2 HIS 10 HB3 HIS 10 17.386 0.723 6.283
58 HB3 HIS 10 HB2 HIS 10 15.971 1.747 6.013
59 HD1 HIS 10 HD1 HIS 10 17.386 -0.179 9.005
60 HD2 HIS 10 HD2 HIS 10 15.682 3.516 8.100
61 HE1 HIS 10 HE1 HIS 10 17.323 1.130 11.171
62 H CYS 11 HN CYS 11 13.398 0.407 5.390
63 HA CYS 11 HA CYS 11 11.843 1.094 7.810
64 HB2 CYS 11 HB3 CYS 11 11.172 2.650 6.289
65 HB3 CYS 11 HB2 CYS 11 11.956 1.773 4.978
66 H VAL 12 HN VAL 12 12.004 -1.241 5.198
67 HA VAL 12 HA VAL 12 10.380 -2.975 4.678
68 HB VAL 12 HB VAL 12 12.669 -3.350 6.219
69 HG11 VAL 12 1HG1 VAL 12 10.402 -5.003 7.368
70 HG12 VAL 12 2HG1 VAL 12 11.387 -3.829 8.240
71 HG13 VAL 12 3HG1 VAL 12 12.117 -5.318 7.640
72 HG21 VAL 12 1HG2 VAL 12 11.294 -4.572 4.139
73 HG22 VAL 12 2HG2 VAL 12 11.415 -5.841 5.359
74 HG23 VAL 12 3HG2 VAL 12 12.874 -5.053 4.758
75 H ILE 13 HN ILE 13 8.204 -2.579 4.986
76 HA ILE 13 HA ILE 13 7.132 -2.428 7.747
77 HB ILE 13 HB ILE 13 6.453 -1.557 5.074
78 HG12 ILE 13 HG13 ILE 13 4.913 -0.848 7.548
79 HG13 ILE 13 HG12 ILE 13 6.609 -0.380 7.420
80 HG21 ILE 13 1HG2 ILE 13 4.826 -3.336 4.949
81 HG22 ILE 13 2HG2 ILE 13 3.953 -1.851 5.325
82 HG23 ILE 13 3HG2 ILE 13 4.284 -3.025 6.598
83 HD11 ILE 13 1HD1 ILE 13 4.390 0.329 5.480
84 HD12 ILE 13 2HD1 ILE 13 6.096 0.690 5.215
85 HD13 ILE 13 3HD1 ILE 13 5.235 1.435 6.562
86 H TYR 14 HN TYR 14 5.235 -3.844 8.321
87 HA TYR 14 HA TYR 14 5.717 -6.550 8.388
88 HB2 TYR 14 HB2 TYR 14 3.419 -4.755 8.614
89 HB3 TYR 14 HB3 TYR 14 2.948 -6.376 8.090
90 HD1 TYR 14 HD1 TYR 14 3.515 -4.389 10.909
91 HD2 TYR 14 HD2 TYR 14 4.304 -8.329 9.388
92 HE1 TYR 14 HE1 TYR 14 3.807 -5.227 13.227
93 HE2 TYR 14 HE2 TYR 14 4.595 -9.165 11.704
94 HH TYR 14 HH TYR 14 3.512 -7.902 14.265
Start of MODEL 29
1 H1 GLY 1 HT1 GLY 1 11.512 -2.654 -4.984
2 H2 GLY 1 HT2 GLY 1 9.938 -2.752 -4.353
3 H3 GLY 1 HT3 GLY 1 11.040 -4.018 -4.093
4 HA2 GLY 1 HA2 GLY 1 12.452 -2.103 -3.008
5 HA3 GLY 1 HA1 GLY 1 10.847 -1.412 -2.782
6 H CYS 2 HN CYS 2 11.869 -1.926 -0.453
7 HA CYS 2 HA CYS 2 11.410 -4.723 0.380
8 HB2 CYS 2 HB3 CYS 2 12.899 -2.405 1.222
9 HB3 CYS 2 HB2 CYS 2 11.929 -3.006 2.570
10 H CYS 3 HN CYS 3 10.348 -1.621 1.817
11 HA CYS 3 HA CYS 3 8.066 -2.772 3.147
12 HB2 CYS 3 HB3 CYS 3 8.229 0.108 2.239
13 HB3 CYS 3 HB2 CYS 3 7.552 -0.532 3.733
14 HA PRO 4 HA PRO 4 5.078 -2.850 -0.092
15 HB2 PRO 4 HB3 PRO 4 2.811 -1.901 1.116
16 HB3 PRO 4 HB2 PRO 4 3.484 -3.510 1.457
17 HG2 PRO 4 HG2 PRO 4 3.689 -0.998 3.037
18 HG3 PRO 4 HG3 PRO 4 3.509 -2.670 3.589
19 HD2 PRO 4 HD2 PRO 4 5.879 -1.309 3.611
20 HD3 PRO 4 HD3 PRO 4 5.757 -3.078 3.504
21 H ALA 5 HN ALA 5 6.096 0.035 1.335
22 HA ALA 5 HA ALA 5 4.553 2.103 0.297
23 HB1 ALA 5 HB1 ALA 5 7.127 2.999 0.019
24 HB2 ALA 5 HB2 ALA 5 7.345 1.612 1.087
25 HB3 ALA 5 HB3 ALA 5 6.259 2.922 1.552
26 HA PRO 6 HA PRO 6 7.390 0.032 -0.231
27 HB2 PRO 6 HB3 PRO 6 9.499 -0.618 -1.797
28 HB3 PRO 6 HB2 PRO 6 7.962 -1.503 -1.848
29 HG2 PRO 6 HG2 PRO 6 9.123 0.322 -3.815
30 HG3 PRO 6 HG3 PRO 6 7.859 -0.901 -4.016
31 HD2 PRO 6 HD2 PRO 6 7.555 1.940 -3.732
32 HD3 PRO 6 HD3 PRO 6 6.291 0.714 -3.966
33 H LEU 7 HN LEU 7 9.417 0.411 0.868
34 HA LEU 7 HA LEU 7 10.805 2.953 0.083
35 HB2 LEU 7 HB3 LEU 7 9.208 2.287 2.370
36 HB3 LEU 7 HB2 LEU 7 10.870 2.541 2.904
37 HG LEU 7 HG LEU 7 10.910 4.696 1.659
38 HD11 LEU 7 1HD1 LEU 7 7.952 4.155 1.268
39 HD12 LEU 7 2HD1 LEU 7 9.168 4.020 0.000
40 HD13 LEU 7 3HD1 LEU 7 8.835 5.584 0.734
41 HD21 LEU 7 1HD2 LEU 7 10.270 5.582 3.630
42 HD22 LEU 7 2HD2 LEU 7 9.476 4.066 4.052
43 HD23 LEU 7 3HD2 LEU 7 8.579 5.324 3.201
44 H THR 8 HN THR 8 12.868 2.984 1.793
45 HA THR 8 HA THR 8 14.763 1.137 0.850
46 HB THR 8 HB THR 8 15.184 3.267 2.068
47 HG1 THR 8 HG1 THR 8 16.292 0.906 3.172
48 HG21 THR 8 1HG2 THR 8 13.340 2.530 3.822
49 HG22 THR 8 2HG2 THR 8 14.677 3.569 4.311
50 HG23 THR 8 3HG2 THR 8 14.729 1.843 4.663
51 H CYS 9 HN CYS 9 15.847 -0.645 2.110
52 HA CYS 9 HA CYS 9 13.879 -2.518 3.165
53 HB2 CYS 9 HB3 CYS 9 16.822 -2.449 2.597
54 HB3 CYS 9 HB2 CYS 9 16.173 -3.767 3.581
55 H HIS 10 HN HIS 10 15.357 0.094 4.560
56 HA HIS 10 HA HIS 10 15.836 -1.143 7.206
57 HB2 HIS 10 HB3 HIS 10 16.664 1.175 5.738
58 HB3 HIS 10 HB2 HIS 10 15.864 1.728 7.213
59 HD1 HIS 10 HD1 HIS 10 18.508 -0.843 6.212
60 HD2 HIS 10 HD2 HIS 10 17.515 1.622 9.424
61 HE1 HIS 10 HE1 HIS 10 20.349 -1.126 7.928
62 H CYS 11 HN CYS 11 13.315 0.316 5.397
63 HA CYS 11 HA CYS 11 11.767 1.172 7.764
64 HB2 CYS 11 HB3 CYS 11 11.160 2.657 6.152
65 HB3 CYS 11 HB2 CYS 11 11.922 1.680 4.900
66 H VAL 12 HN VAL 12 11.961 -1.406 5.404
67 HA VAL 12 HA VAL 12 10.281 -3.126 4.954
68 HB VAL 12 HB VAL 12 12.444 -3.737 6.148
69 HG11 VAL 12 1HG1 VAL 12 12.522 -4.007 8.433
70 HG12 VAL 12 2HG1 VAL 12 10.805 -4.385 8.554
71 HG13 VAL 12 3HG1 VAL 12 11.326 -2.712 8.359
72 HG21 VAL 12 1HG2 VAL 12 10.129 -5.244 5.569
73 HG22 VAL 12 2HG2 VAL 12 10.690 -5.812 7.142
74 HG23 VAL 12 3HG2 VAL 12 11.774 -5.851 5.753
75 H ILE 13 HN ILE 13 8.241 -1.806 5.328
76 HA ILE 13 HA ILE 13 7.045 -2.076 8.025
77 HB ILE 13 HB ILE 13 6.191 -0.855 5.384
78 HG12 ILE 13 HG13 ILE 13 7.944 0.288 6.762
79 HG13 ILE 13 HG12 ILE 13 6.470 1.242 6.600
80 HG21 ILE 13 1HG2 ILE 13 4.059 -1.068 6.114
81 HG22 ILE 13 2HG2 ILE 13 4.484 0.110 7.355
82 HG23 ILE 13 3HG2 ILE 13 4.582 -1.615 7.708
83 HD11 ILE 13 1HD1 ILE 13 6.262 -0.528 8.877
84 HD12 ILE 13 2HD1 ILE 13 6.153 1.232 8.829
85 HD13 ILE 13 3HD1 ILE 13 7.724 0.450 8.998
86 H TYR 14 HN TYR 14 7.604 -4.554 7.029
87 HA TYR 14 HA TYR 14 6.687 -6.576 6.180
88 HB2 TYR 14 HB2 TYR 14 4.514 -6.949 7.597
89 HB3 TYR 14 HB3 TYR 14 6.052 -6.723 8.431
90 HD1 TYR 14 HD1 TYR 14 6.636 -4.460 9.369
91 HD2 TYR 14 HD2 TYR 14 2.737 -5.368 7.807
92 HE1 TYR 14 HE1 TYR 14 5.702 -2.488 10.549
93 HE2 TYR 14 HE2 TYR 14 1.806 -3.395 8.984
94 HH TYR 14 HH TYR 14 2.890 -1.999 11.369
Start of MODEL 30
1 H1 GLY 1 HT1 GLY 1 13.023 -0.773 -4.025
2 H2 GLY 1 HT2 GLY 1 13.445 -1.989 -2.917
3 H3 GLY 1 HT3 GLY 1 13.174 -0.401 -2.377
4 HA2 GLY 1 HA2 GLY 1 10.921 -0.563 -2.502
5 HA3 GLY 1 HA1 GLY 1 11.001 -1.767 -3.789
6 H CYS 2 HN CYS 2 12.098 -1.448 -0.390
7 HA CYS 2 HA CYS 2 11.750 -4.354 -0.008
8 HB2 CYS 2 HB3 CYS 2 13.390 -2.294 0.967
9 HB3 CYS 2 HB2 CYS 2 12.400 -2.800 2.341
10 H CYS 3 HN CYS 3 10.546 -1.387 1.606
11 HA CYS 3 HA CYS 3 8.572 -2.782 3.192
12 HB2 CYS 3 HB3 CYS 3 8.177 0.058 2.270
13 HB3 CYS 3 HB2 CYS 3 7.887 -0.643 3.854
14 HA PRO 4 HA PRO 4 5.308 -3.027 0.223
15 HB2 PRO 4 HB3 PRO 4 3.083 -2.087 1.506
16 HB3 PRO 4 HB2 PRO 4 3.857 -3.629 1.927
17 HG2 PRO 4 HG2 PRO 4 3.888 -1.057 3.359
18 HG3 PRO 4 HG3 PRO 4 4.090 -2.701 3.976
19 HD2 PRO 4 HD2 PRO 4 6.123 -0.806 3.494
20 HD3 PRO 4 HD3 PRO 4 6.341 -2.524 3.897
21 H ALA 5 HN ALA 5 6.098 0.036 1.536
22 HA ALA 5 HA ALA 5 4.487 1.938 0.373
23 HB1 ALA 5 HB1 ALA 5 7.369 1.653 1.009
24 HB2 ALA 5 HB2 ALA 5 6.208 2.858 1.566
25 HB3 ALA 5 HB3 ALA 5 6.934 3.006 -0.033
26 HA PRO 6 HA PRO 6 7.286 -0.217 -0.155
27 HB2 PRO 6 HB3 PRO 6 9.278 -1.045 -1.796
28 HB3 PRO 6 HB2 PRO 6 7.699 -1.850 -1.731
29 HG2 PRO 6 HG2 PRO 6 8.844 -0.172 -3.829
30 HG3 PRO 6 HG3 PRO 6 7.515 -1.337 -3.914
31 HD2 PRO 6 HD2 PRO 6 7.365 1.524 -3.741
32 HD3 PRO 6 HD3 PRO 6 6.033 0.355 -3.865
33 H LEU 7 HN LEU 7 9.350 0.153 0.871
34 HA LEU 7 HA LEU 7 10.801 2.598 -0.105
35 HB2 LEU 7 HB3 LEU 7 9.305 2.062 2.294
36 HB3 LEU 7 HB2 LEU 7 10.995 2.344 2.711
37 HG LEU 7 HG LEU 7 11.004 4.469 1.579
38 HD11 LEU 7 1HD1 LEU 7 8.355 4.908 0.780
39 HD12 LEU 7 2HD1 LEU 7 8.731 3.282 0.216
40 HD13 LEU 7 3HD1 LEU 7 9.738 4.638 -0.282
41 HD21 LEU 7 1HD2 LEU 7 8.356 4.280 3.045
42 HD22 LEU 7 2HD2 LEU 7 9.400 5.694 2.905
43 HD23 LEU 7 3HD2 LEU 7 9.916 4.310 3.868
44 H THR 8 HN THR 8 12.882 2.621 1.655
45 HA THR 8 HA THR 8 14.729 0.710 0.695
46 HB THR 8 HB THR 8 15.178 2.901 1.826
47 HG1 THR 8 HG1 THR 8 17.049 2.186 2.628
48 HG21 THR 8 1HG2 THR 8 14.442 3.319 3.921
49 HG22 THR 8 2HG2 THR 8 15.123 1.809 4.529
50 HG23 THR 8 3HG2 THR 8 13.520 1.820 3.796
51 H CYS 9 HN CYS 9 15.922 -0.877 2.228
52 HA CYS 9 HA CYS 9 13.986 -2.796 3.280
53 HB2 CYS 9 HB3 CYS 9 16.988 -2.645 2.999
54 HB3 CYS 9 HB2 CYS 9 16.187 -4.025 3.763
55 H HIS 10 HN HIS 10 15.341 -0.052 4.560
56 HA HIS 10 HA HIS 10 15.716 -1.110 7.298
57 HB2 HIS 10 HB3 HIS 10 17.062 0.741 6.060
58 HB3 HIS 10 HB2 HIS 10 15.670 1.777 6.392
59 HD1 HIS 10 HD1 HIS 10 17.598 3.044 7.915
60 HD2 HIS 10 HD2 HIS 10 16.195 -0.626 9.310
61 HE1 HIS 10 HE1 HIS 10 18.223 2.923 10.367
62 H CYS 11 HN CYS 11 13.354 0.522 5.306
63 HA CYS 11 HA CYS 11 11.636 1.205 7.609
64 HB2 CYS 11 HB3 CYS 11 11.158 2.870 6.158
65 HB3 CYS 11 HB2 CYS 11 12.082 2.067 4.895
66 H VAL 12 HN VAL 12 12.122 -1.405 5.438
67 HA VAL 12 HA VAL 12 9.941 -2.635 4.606
68 HB VAL 12 HB VAL 12 12.235 -3.541 6.246
69 HG11 VAL 12 1HG1 VAL 12 11.192 -5.963 5.952
70 HG12 VAL 12 2HG1 VAL 12 9.669 -5.083 6.085
71 HG13 VAL 12 3HG1 VAL 12 10.848 -5.010 7.396
72 HG21 VAL 12 1HG2 VAL 12 11.241 -3.636 3.539
73 HG22 VAL 12 2HG2 VAL 12 11.638 -5.265 4.088
74 HG23 VAL 12 3HG2 VAL 12 12.861 -3.996 4.135
75 H ILE 13 HN ILE 13 7.977 -1.820 5.461
76 HA ILE 13 HA ILE 13 7.357 -2.573 8.299
77 HB ILE 13 HB ILE 13 7.072 -0.226 7.762
78 HG12 ILE 13 HG13 ILE 13 4.236 -0.737 7.571
79 HG13 ILE 13 HG12 ILE 13 4.980 -1.913 8.655
80 HG21 ILE 13 1HG2 ILE 13 5.408 0.410 5.960
81 HG22 ILE 13 2HG2 ILE 13 5.441 -1.272 5.437
82 HG23 ILE 13 3HG2 ILE 13 6.908 -0.297 5.366
83 HD11 ILE 13 1HD1 ILE 13 4.560 -0.144 10.114
84 HD12 ILE 13 2HD1 ILE 13 4.890 1.078 8.887
85 HD13 ILE 13 3HD1 ILE 13 6.221 0.190 9.625
86 H TYR 14 HN TYR 14 7.126 -4.873 7.382
87 HA TYR 14 HA TYR 14 5.081 -5.613 5.547
88 HB2 TYR 14 HB2 TYR 14 5.488 -7.806 6.396
89 HB3 TYR 14 HB3 TYR 14 7.019 -6.947 6.588
90 HD1 TYR 14 HD1 TYR 14 4.324 -8.672 8.274
91 HD2 TYR 14 HD2 TYR 14 7.574 -5.923 8.854
92 HE1 TYR 14 HE1 TYR 14 4.261 -9.112 10.713
93 HE2 TYR 14 HE2 TYR 14 7.510 -6.364 11.295
94 HH TYR 14 HH TYR 14 6.682 -8.414 12.769
Start of MODEL 31
1 H1 GLY 1 HT1 GLY 1 12.600 -1.725 -3.408
2 H2 GLY 1 HT2 GLY 1 11.082 -1.122 -2.940
3 H3 GLY 1 HT3 GLY 1 11.360 -2.797 -2.973
4 HA2 GLY 1 HA2 GLY 1 13.317 -1.937 -1.324
5 HA3 GLY 1 HA1 GLY 1 11.968 -0.871 -0.925
6 H CYS 2 HN CYS 2 12.592 -2.499 1.073
7 HA CYS 2 HA CYS 2 11.248 -5.089 0.925
8 HB2 CYS 2 HB3 CYS 2 12.530 -3.426 3.099
9 HB3 CYS 2 HB2 CYS 2 11.750 -4.961 3.444
10 H CYS 3 HN CYS 3 10.255 -1.820 1.608
11 HA CYS 3 HA CYS 3 7.944 -2.642 3.262
12 HB2 CYS 3 HB3 CYS 3 8.078 0.051 1.967
13 HB3 CYS 3 HB2 CYS 3 7.646 -0.373 3.621
14 HA PRO 4 HA PRO 4 5.113 -2.975 -0.099
15 HB2 PRO 4 HB3 PRO 4 2.838 -1.840 0.909
16 HB3 PRO 4 HB2 PRO 4 3.468 -3.399 1.485
17 HG2 PRO 4 HG2 PRO 4 3.571 -0.733 2.757
18 HG3 PRO 4 HG3 PRO 4 3.523 -2.338 3.496
19 HD2 PRO 4 HD2 PRO 4 5.790 -0.720 3.210
20 HD3 PRO 4 HD3 PRO 4 5.783 -2.453 3.611
21 H ALA 5 HN ALA 5 5.561 0.193 1.311
22 HA ALA 5 HA ALA 5 4.237 2.031 -0.178
23 HB1 ALA 5 HB1 ALA 5 6.776 3.044 -0.265
24 HB2 ALA 5 HB2 ALA 5 6.940 1.787 0.961
25 HB3 ALA 5 HB3 ALA 5 5.744 3.068 1.165
26 HA PRO 6 HA PRO 6 7.180 0.018 -0.220
27 HB2 PRO 6 HB3 PRO 6 9.483 -0.654 -1.486
28 HB3 PRO 6 HB2 PRO 6 7.989 -1.597 -1.661
29 HG2 PRO 6 HG2 PRO 6 9.314 0.169 -3.581
30 HG3 PRO 6 HG3 PRO 6 8.155 -1.139 -3.858
31 HD2 PRO 6 HD2 PRO 6 7.662 1.679 -3.827
32 HD3 PRO 6 HD3 PRO 6 6.495 0.366 -4.085
33 H LEU 7 HN LEU 7 9.437 0.334 0.775
34 HA LEU 7 HA LEU 7 10.554 3.035 0.141
35 HB2 LEU 7 HB3 LEU 7 9.016 2.206 2.403
36 HB3 LEU 7 HB2 LEU 7 10.667 2.504 2.951
37 HG LEU 7 HG LEU 7 10.655 4.731 2.030
38 HD11 LEU 7 1HD1 LEU 7 9.544 4.626 -0.008
39 HD12 LEU 7 2HD1 LEU 7 8.314 5.417 0.981
40 HD13 LEU 7 3HD1 LEU 7 8.210 3.688 0.656
41 HD21 LEU 7 1HD2 LEU 7 9.617 5.198 3.995
42 HD22 LEU 7 2HD2 LEU 7 8.508 3.836 3.832
43 HD23 LEU 7 3HD2 LEU 7 8.153 5.365 3.026
44 H THR 8 HN THR 8 12.720 3.226 1.571
45 HA THR 8 HA THR 8 14.690 1.529 0.643
46 HB THR 8 HB THR 8 15.179 3.508 1.951
47 HG1 THR 8 HG1 THR 8 16.622 1.668 2.137
48 HG21 THR 8 1HG2 THR 8 14.613 3.686 4.315
49 HG22 THR 8 2HG2 THR 8 13.937 2.059 4.304
50 HG23 THR 8 3HG2 THR 8 13.151 3.346 3.391
51 H CYS 9 HN CYS 9 15.611 -0.492 1.399
52 HA CYS 9 HA CYS 9 13.691 -2.326 2.501
53 HB2 CYS 9 HB3 CYS 9 16.350 -2.341 1.342
54 HB3 CYS 9 HB2 CYS 9 16.209 -3.502 2.670
55 H HIS 10 HN HIS 10 15.428 0.017 4.061
56 HA HIS 10 HA HIS 10 15.970 -1.545 6.511
57 HB2 HIS 10 HB3 HIS 10 16.248 1.376 5.714
58 HB3 HIS 10 HB2 HIS 10 16.775 0.717 7.264
59 HD1 HIS 10 HD1 HIS 10 19.119 -0.142 7.325
60 HD2 HIS 10 HD2 HIS 10 17.611 -0.068 3.438
61 HE1 HIS 10 HE1 HIS 10 21.020 -0.840 5.805
62 H CYS 11 HN CYS 11 13.422 0.128 5.000
63 HA CYS 11 HA CYS 11 12.062 0.948 7.489
64 HB2 CYS 11 HB3 CYS 11 11.391 2.508 5.980
65 HB3 CYS 11 HB2 CYS 11 12.076 1.573 4.654
66 H VAL 12 HN VAL 12 11.646 -1.325 4.801
67 HA VAL 12 HA VAL 12 9.883 -2.959 4.516
68 HB VAL 12 HB VAL 12 12.103 -3.861 5.270
69 HG11 VAL 12 1HG1 VAL 12 11.053 -4.522 7.944
70 HG12 VAL 12 2HG1 VAL 12 11.399 -2.808 7.709
71 HG13 VAL 12 3HG1 VAL 12 12.671 -4.007 7.465
72 HG21 VAL 12 1HG2 VAL 12 9.820 -5.193 4.856
73 HG22 VAL 12 2HG2 VAL 12 10.027 -5.585 6.564
74 HG23 VAL 12 3HG2 VAL 12 11.280 -6.020 5.401
75 H ILE 13 HN ILE 13 7.889 -1.832 5.176
76 HA ILE 13 HA ILE 13 7.186 -1.980 8.051
77 HB ILE 13 HB ILE 13 6.692 -0.163 6.124
78 HG12 ILE 13 HG13 ILE 13 6.272 0.282 8.435
79 HG13 ILE 13 HG12 ILE 13 4.748 0.575 7.596
80 HG21 ILE 13 1HG2 ILE 13 5.049 -2.168 5.235
81 HG22 ILE 13 2HG2 ILE 13 4.787 -0.457 4.915
82 HG23 ILE 13 3HG2 ILE 13 3.946 -1.242 6.251
83 HD11 ILE 13 1HD1 ILE 13 4.405 -0.760 9.657
84 HD12 ILE 13 2HD1 ILE 13 5.492 -1.996 9.024
85 HD13 ILE 13 3HD1 ILE 13 3.959 -1.673 8.214
86 H TYR 14 HN TYR 14 7.549 -4.479 6.475
87 HA TYR 14 HA TYR 14 6.502 -6.585 6.359
88 HB2 TYR 14 HB2 TYR 14 5.762 -5.485 8.667
89 HB3 TYR 14 HB3 TYR 14 4.182 -5.446 7.879
90 HD1 TYR 14 HD1 TYR 14 5.183 -8.040 6.156
91 HD2 TYR 14 HD2 TYR 14 4.687 -7.083 10.316
92 HE1 TYR 14 HE1 TYR 14 4.855 -10.444 6.672
93 HE2 TYR 14 HE2 TYR 14 4.361 -9.485 10.831
94 HH TYR 14 HH TYR 14 5.265 -11.844 9.245
Start of MODEL 32
1 H1 GLY 1 HT1 GLY 1 13.267 -2.128 -4.157
2 H2 GLY 1 HT2 GLY 1 11.853 -2.445 -5.045
3 H3 GLY 1 HT3 GLY 1 12.449 -3.599 -3.950
4 HA2 GLY 1 HA2 GLY 1 12.012 -1.090 -2.670
5 HA3 GLY 1 HA1 GLY 1 10.545 -1.701 -3.437
6 H CYS 2 HN CYS 2 12.042 -1.711 -0.563
7 HA CYS 2 HA CYS 2 11.684 -4.567 0.098
8 HB2 CYS 2 HB3 CYS 2 13.145 -2.283 1.050
9 HB3 CYS 2 HB2 CYS 2 12.200 -2.962 2.379
10 H CYS 3 HN CYS 3 10.511 -1.546 1.639
11 HA CYS 3 HA CYS 3 8.312 -2.874 2.972
12 HB2 CYS 3 HB3 CYS 3 8.283 0.046 2.211
13 HB3 CYS 3 HB2 CYS 3 7.717 -0.709 3.696
14 HA PRO 4 HA PRO 4 5.299 -2.930 -0.238
15 HB2 PRO 4 HB3 PRO 4 3.002 -2.222 1.073
16 HB3 PRO 4 HB2 PRO 4 3.789 -3.801 1.292
17 HG2 PRO 4 HG2 PRO 4 3.854 -1.394 3.037
18 HG3 PRO 4 HG3 PRO 4 3.810 -3.108 3.477
19 HD2 PRO 4 HD2 PRO 4 6.075 -1.566 3.536
20 HD3 PRO 4 HD3 PRO 4 6.078 -3.332 3.335
21 H ALA 5 HN ALA 5 6.186 -0.082 1.335
22 HA ALA 5 HA ALA 5 4.468 1.939 0.499
23 HB1 ALA 5 HB1 ALA 5 6.173 2.774 1.750
24 HB2 ALA 5 HB2 ALA 5 6.933 3.054 0.184
25 HB3 ALA 5 HB3 ALA 5 7.335 1.610 1.115
26 HA PRO 6 HA PRO 6 7.344 0.023 -0.320
27 HB2 PRO 6 HB3 PRO 6 9.395 -0.441 -2.034
28 HB3 PRO 6 HB2 PRO 6 7.881 -1.369 -2.063
29 HG2 PRO 6 HG2 PRO 6 8.882 0.614 -3.960
30 HG3 PRO 6 HG3 PRO 6 7.622 -0.612 -4.168
31 HD2 PRO 6 HD2 PRO 6 7.310 2.201 -3.649
32 HD3 PRO 6 HD3 PRO 6 6.049 0.980 -3.928
33 H LEU 7 HN LEU 7 9.341 0.385 0.771
34 HA LEU 7 HA LEU 7 10.642 3.029 0.201
35 HB2 LEU 7 HB3 LEU 7 9.174 2.022 2.463
36 HB3 LEU 7 HB2 LEU 7 10.845 2.318 2.949
37 HG LEU 7 HG LEU 7 10.740 4.602 2.204
38 HD11 LEU 7 1HD1 LEU 7 8.664 3.539 0.528
39 HD12 LEU 7 2HD1 LEU 7 9.478 5.095 0.406
40 HD13 LEU 7 3HD1 LEU 7 8.036 4.927 1.407
41 HD21 LEU 7 1HD2 LEU 7 8.487 5.311 3.403
42 HD22 LEU 7 2HD2 LEU 7 9.800 4.593 4.340
43 HD23 LEU 7 3HD2 LEU 7 8.428 3.604 3.839
44 H THR 8 HN THR 8 12.672 2.769 2.132
45 HA THR 8 HA THR 8 14.570 1.065 0.790
46 HB THR 8 HB THR 8 15.140 3.134 1.993
47 HG1 THR 8 HG1 THR 8 16.423 1.422 3.671
48 HG21 THR 8 1HG2 THR 8 13.830 1.652 4.230
49 HG22 THR 8 2HG2 THR 8 13.735 3.362 3.810
50 HG23 THR 8 3HG2 THR 8 15.166 2.733 4.628
51 H CYS 9 HN CYS 9 15.897 -0.565 2.240
52 HA CYS 9 HA CYS 9 14.013 -2.616 3.156
53 HB2 CYS 9 HB3 CYS 9 16.981 -2.368 2.719
54 HB3 CYS 9 HB2 CYS 9 16.309 -3.790 3.527
55 H HIS 10 HN HIS 10 15.433 0.026 4.623
56 HA HIS 10 HA HIS 10 15.824 -1.255 7.266
57 HB2 HIS 10 HB3 HIS 10 17.397 0.450 6.706
58 HB3 HIS 10 HB2 HIS 10 16.134 1.512 6.076
59 HD1 HIS 10 HD1 HIS 10 17.660 0.300 9.290
60 HD2 HIS 10 HD2 HIS 10 14.710 2.974 8.057
61 HE1 HIS 10 HE1 HIS 10 17.049 1.679 11.323
62 H CYS 11 HN CYS 11 13.383 0.264 5.388
63 HA CYS 11 HA CYS 11 11.762 1.111 7.708
64 HB2 CYS 11 HB3 CYS 11 11.237 2.629 6.107
65 HB3 CYS 11 HB2 CYS 11 12.056 1.675 4.875
66 H VAL 12 HN VAL 12 12.042 -1.483 5.397
67 HA VAL 12 HA VAL 12 10.250 -3.083 4.820
68 HB VAL 12 HB VAL 12 12.438 -3.752 6.034
69 HG11 VAL 12 1HG1 VAL 12 11.240 -3.050 8.295
70 HG12 VAL 12 2HG1 VAL 12 12.369 -4.406 8.255
71 HG13 VAL 12 3HG1 VAL 12 10.630 -4.704 8.221
72 HG21 VAL 12 1HG2 VAL 12 9.941 -5.459 5.949
73 HG22 VAL 12 2HG2 VAL 12 11.534 -6.121 6.318
74 HG23 VAL 12 3HG2 VAL 12 11.232 -5.371 4.750
75 H ILE 13 HN ILE 13 8.219 -1.856 5.216
76 HA ILE 13 HA ILE 13 7.042 -2.103 7.922
77 HB ILE 13 HB ILE 13 6.127 -0.962 5.265
78 HG12 ILE 13 HG13 ILE 13 7.882 0.307 6.416
79 HG13 ILE 13 HG12 ILE 13 6.355 1.184 6.500
80 HG21 ILE 13 1HG2 ILE 13 4.628 -0.200 7.672
81 HG22 ILE 13 2HG2 ILE 13 4.438 -1.900 7.244
82 HG23 ILE 13 3HG2 ILE 13 4.033 -0.644 6.074
83 HD11 ILE 13 1HD1 ILE 13 7.000 1.313 8.718
84 HD12 ILE 13 2HD1 ILE 13 7.850 -0.231 8.670
85 HD13 ILE 13 3HD1 ILE 13 6.090 -0.198 8.759
86 H TYR 14 HN TYR 14 6.820 -4.368 8.150
87 HA TYR 14 HA TYR 14 6.043 -6.378 6.519
88 HB2 TYR 14 HB2 TYR 14 6.361 -6.756 8.849
89 HB3 TYR 14 HB3 TYR 14 5.064 -5.634 9.282
90 HD1 TYR 14 HD1 TYR 14 2.705 -6.262 9.014
91 HD2 TYR 14 HD2 TYR 14 5.868 -9.006 8.045
92 HE1 TYR 14 HE1 TYR 14 1.072 -8.128 8.960
93 HE2 TYR 14 HE2 TYR 14 4.233 -10.871 7.991
94 HH TYR 14 HH TYR 14 0.756 -10.278 8.444