NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8907 |
1n2y   |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H CYS 1 H CYS 1 -0.625 1.037 2.971
2 HA CYS 1 HA CYS 1 -1.925 3.199 4.469
3 1HB CYS 1 1HB CYS 1 -1.285 3.401 1.770
4 2HB CYS 1 2HB CYS 1 -3.019 3.139 1.838
5 H PHE 2 H PHE 2 -2.583 1.090 1.903
6 HA PHE 2 HA PHE 2 -4.556 -0.536 3.389
7 1HB PHE 2 1HB PHE 2 -4.874 1.089 0.998
8 2HB PHE 2 2HB PHE 2 -5.311 -0.593 0.714
9 HD1 PHE 2 HD1 PHE 2 -6.766 -1.707 2.637
10 HD2 PHE 2 HD2 PHE 2 -6.486 2.510 1.881
11 HE1 PHE 2 HE1 PHE 2 -8.899 -1.349 3.848
12 HE2 PHE 2 HE2 PHE 2 -8.620 2.871 3.090
13 HZ PHE 2 HZ PHE 2 -9.827 0.940 4.076
14 H ARG 3 H ARG 3 -3.610 -0.939 0.052
15 HA ARG 3 HA ARG 3 -2.629 -3.562 0.820
16 1HB ARG 3 1HB ARG 3 -4.287 -2.965 -0.998
17 2HB ARG 3 2HB ARG 3 -2.909 -2.373 -1.914
18 1HG ARG 3 1HG ARG 3 -3.636 -4.814 -2.359
19 2HG ARG 3 2HG ARG 3 -1.924 -4.533 -2.067
20 1HD ARG 3 1HD ARG 3 -3.165 -6.493 -0.784
21 2HD ARG 3 2HD ARG 3 -2.004 -5.482 0.093
22 HE ARG 3 HE ARG 3 -4.016 -4.086 0.813
23 1HH1 ARG 3 1HH1 ARG 3 -3.847 -6.926 2.023
24 2HH1 ARG 3 2HH1 ARG 3 -5.502 -7.424 1.905
25 1HH2 ARG 3 1HH2 ARG 3 -6.360 -4.929 -0.351
26 2HH2 ARG 3 2HH2 ARG 3 -6.928 -6.290 0.557
27 H ALA 4 H ALA 4 -1.469 -0.621 0.560
28 HA ALA 4 HA ALA 4 1.264 -1.668 0.222
29 1HB ALA 4 1HB ALA 4 1.579 -0.125 -1.418
30 2HB ALA 4 2HB ALA 4 1.811 0.966 -0.064
31 3HB ALA 4 3HB ALA 4 0.267 0.879 -0.869
32 H ARG 5 H ARG 5 -0.781 -1.433 2.364
33 HA ARG 5 HA ARG 5 0.715 0.154 4.306
34 1HB ARG 5 1HB ARG 5 -1.683 -0.134 4.625
35 2HB ARG 5 2HB ARG 5 -1.534 -1.873 4.402
36 1HG ARG 5 1HG ARG 5 0.054 -0.673 6.609
37 2HG ARG 5 2HG ARG 5 -1.693 -0.744 6.834
38 1HD ARG 5 1HD ARG 5 -1.662 -3.166 6.326
39 2HD ARG 5 2HD ARG 5 0.103 -3.099 6.156
40 HE ARG 5 HE ARG 5 -1.000 -2.006 8.667
41 1HH1 ARG 5 1HH1 ARG 5 1.775 -3.222 7.748
42 2HH1 ARG 5 2HH1 ARG 5 1.826 -4.600 8.796
43 1HH2 ARG 5 1HH2 ARG 5 -1.530 -4.376 9.663
44 2HH2 ARG 5 2HH2 ARG 5 -0.056 -5.256 9.885
45 H GLY 6 H GLY 6 0.489 -2.668 2.693
46 1HA GLY 6 1HA GLY 6 2.901 -3.968 3.853
47 2HA GLY 6 2HA GLY 6 1.563 -4.902 3.082
48 H TYR 7 H TYR 7 3.831 -2.282 2.541
49 HA TYR 7 HA TYR 7 3.092 -0.966 0.405
50 1HB TYR 7 1HB TYR 7 5.768 -1.651 -0.220
51 2HB TYR 7 2HB TYR 7 5.164 -0.210 0.576
52 HD1 TYR 7 HD1 TYR 7 6.082 0.266 2.640
53 HD2 TYR 7 HD2 TYR 7 5.735 -3.841 1.431
54 HE1 TYR 7 HE1 TYR 7 7.152 -0.448 4.760
55 HE2 TYR 7 HE2 TYR 7 6.802 -4.554 3.553
56 HH TYR 7 HH TYR 7 8.469 -2.452 5.559
57 H GLY 8 H GLY 8 3.328 -0.860 -1.630
58 1HA GLY 8 1HA GLY 8 4.158 -2.016 -3.784
59 2HA GLY 8 2HA GLY 8 3.166 -3.364 -3.216
60 H PHE 9 H PHE 9 1.018 -1.841 -2.122
61 HA PHE 9 HA PHE 9 -0.167 -0.704 -4.627
62 1HB PHE 9 1HB PHE 9 -1.315 -2.396 -2.452
63 2HB PHE 9 2HB PHE 9 -2.304 -1.652 -3.716
64 HD1 PHE 9 HD1 PHE 9 0.137 -4.240 -2.918
65 HD2 PHE 9 HD2 PHE 9 -1.923 -2.230 -6.104
66 HE1 PHE 9 HE1 PHE 9 0.836 -6.022 -4.491
67 HE2 PHE 9 HE2 PHE 9 -1.231 -4.018 -7.680
68 HZ PHE 9 HZ PHE 9 0.153 -5.912 -6.872
69 H ARG 10 H ARG 10 -1.016 -0.591 -1.197
70 HA ARG 10 HA ARG 10 -1.377 2.347 -1.434
71 1HB ARG 10 1HB ARG 10 -3.181 0.695 0.234
72 2HB ARG 10 2HB ARG 10 -3.495 2.258 -0.509
73 1HG ARG 10 1HG ARG 10 -3.257 1.041 -2.764
74 2HG ARG 10 2HG ARG 10 -3.395 -0.454 -1.839
75 1HD ARG 10 1HD ARG 10 -5.598 0.079 -1.097
76 2HD ARG 10 2HD ARG 10 -5.432 1.776 -1.588
77 HE ARG 10 HE ARG 10 -5.392 0.990 -3.950
78 1HH1 ARG 10 1HH1 ARG 10 -7.801 -0.127 -2.128
79 2HH1 ARG 10 2HH1 ARG 10 -8.028 -1.645 -2.931
80 1HH2 ARG 10 1HH2 ARG 10 -5.072 -1.444 -4.728
81 2HH2 ARG 10 2HH2 ARG 10 -6.486 -2.390 -4.400
82 H GLY 11 H GLY 11 0.563 2.986 -0.062
83 1HA GLY 11 1HA GLY 11 0.536 3.626 2.446
84 2HA GLY 11 2HA GLY 11 0.319 1.936 2.728
85 HA PRO 12 HA PRO 12 4.456 3.164 4.645
86 1HB PRO 12 1HB PRO 12 4.111 0.504 3.216
87 2HB PRO 12 2HB PRO 12 5.112 0.851 4.661
88 1HG PRO 12 1HG PRO 12 2.539 0.032 4.824
89 2HG PRO 12 2HG PRO 12 3.292 1.086 6.030
90 1HD PRO 12 1HD PRO 12 1.118 1.732 4.321
91 2HD PRO 12 2HD PRO 12 1.987 2.828 5.408
92 H GLY 13 H GLY 13 4.718 1.331 1.591
93 1HA GLY 13 1HA GLY 13 6.983 2.946 0.824
94 2HA GLY 13 2HA GLY 13 6.097 1.850 -0.250
95 H LEU 14 H LEU 14 3.537 2.845 -0.024
96 HA LEU 14 HA LEU 14 3.768 5.639 -1.030
97 1HB LEU 14 1HB LEU 14 2.153 4.819 -2.815
98 2HB LEU 14 2HB LEU 14 3.787 4.142 -2.874
99 HG LEU 14 HG LEU 14 2.000 2.706 -1.056
100 1HD1 LEU 14 1HD1 LEU 14 1.031 3.382 -3.679
101 2HD1 LEU 14 2HD1 LEU 14 0.237 2.534 -2.355
102 3HD1 LEU 14 3HD1 LEU 14 1.237 1.639 -3.501
103 1HD2 LEU 14 1HD2 LEU 14 4.107 2.141 -3.074
104 2HD2 LEU 14 2HD2 LEU 14 2.953 0.852 -2.731
105 3HD2 LEU 14 3HD2 LEU 14 3.923 1.536 -1.427
106 H CYS 15 H CYS 15 2.483 4.997 1.648
107 HA CYS 15 HA CYS 15 -0.353 4.849 1.557
108 1HB CYS 15 1HB CYS 15 1.411 5.056 3.509
109 2HB CYS 15 2HB CYS 15 1.061 6.775 3.370
110 HXT CYS 15 HXT CYS 15 -1.475 6.150 0.011
Start of MODEL 2
1 H CYS 1 H CYS 1 -2.621 4.491 -0.107
2 HA CYS 1 HA CYS 1 -2.677 1.911 -0.169
3 1HB CYS 1 1HB CYS 1 -0.809 1.852 1.305
4 2HB CYS 1 2HB CYS 1 -0.733 3.323 0.334
5 H PHE 2 H PHE 2 -2.444 0.217 1.472
6 HA PHE 2 HA PHE 2 -4.322 0.458 3.727
7 1HB PHE 2 1HB PHE 2 -3.347 -1.830 2.067
8 2HB PHE 2 2HB PHE 2 -3.974 -2.132 3.682
9 HD1 PHE 2 HD1 PHE 2 -6.177 -2.909 3.644
10 HD2 PHE 2 HD2 PHE 2 -4.971 0.101 0.826
11 HE1 PHE 2 HE1 PHE 2 -8.489 -2.824 2.741
12 HE2 PHE 2 HE2 PHE 2 -7.276 0.183 -0.075
13 HZ PHE 2 HZ PHE 2 -9.035 -1.278 0.880
14 H ARG 3 H ARG 3 -1.474 -0.907 2.595
15 HA ARG 3 HA ARG 3 0.034 -0.198 5.047
16 1HB ARG 3 1HB ARG 3 -0.334 -2.559 3.684
17 2HB ARG 3 2HB ARG 3 1.120 -1.927 2.909
18 1HG ARG 3 1HG ARG 3 2.403 -2.393 4.714
19 2HG ARG 3 2HG ARG 3 1.231 -1.671 5.815
20 1HD ARG 3 1HD ARG 3 1.716 -4.233 6.011
21 2HD ARG 3 2HD ARG 3 0.025 -3.697 6.037
22 HE ARG 3 HE ARG 3 0.731 -4.064 3.310
23 1HH1 ARG 3 1HH1 ARG 3 1.620 -6.207 5.720
24 2HH1 ARG 3 2HH1 ARG 3 0.639 -7.527 5.175
25 1HH2 ARG 3 1HH2 ARG 3 -1.082 -5.630 2.834
26 2HH2 ARG 3 2HH2 ARG 3 -0.891 -7.200 3.541
27 H ALA 4 H ALA 4 0.386 -0.804 1.676
28 HA ALA 4 HA ALA 4 0.884 2.064 1.099
29 1HB ALA 4 1HB ALA 4 3.021 1.409 0.718
30 2HB ALA 4 2HB ALA 4 2.329 0.918 -0.818
31 3HB ALA 4 3HB ALA 4 2.528 -0.269 0.461
32 H ARG 5 H ARG 5 -0.590 -0.638 0.491
33 HA ARG 5 HA ARG 5 -2.660 0.359 -1.192
34 1HB ARG 5 1HB ARG 5 -0.459 -0.845 -2.475
35 2HB ARG 5 2HB ARG 5 -1.670 -2.120 -2.352
36 1HG ARG 5 1HG ARG 5 -2.414 -1.168 -4.306
37 2HG ARG 5 2HG ARG 5 -3.267 -0.127 -3.160
38 1HD ARG 5 1HD ARG 5 -1.902 1.670 -3.563
39 2HD ARG 5 2HD ARG 5 -0.477 0.646 -3.843
40 HE ARG 5 HE ARG 5 -1.120 0.444 -6.112
41 1HH1 ARG 5 1HH1 ARG 5 -2.557 3.120 -5.426
42 2HH1 ARG 5 2HH1 ARG 5 -4.089 2.837 -6.182
43 1HH2 ARG 5 1HH2 ARG 5 -3.581 -0.577 -6.525
44 2HH2 ARG 5 2HH2 ARG 5 -4.670 0.739 -6.806
45 H GLY 6 H GLY 6 -0.730 -1.612 0.429
46 1HA GLY 6 1HA GLY 6 -1.668 -2.898 2.450
47 2HA GLY 6 2HA GLY 6 -2.444 -3.887 1.156
48 H TYR 7 H TYR 7 -1.069 -4.522 -0.691
49 HA TYR 7 HA TYR 7 1.805 -4.252 -0.105
50 1HB TYR 7 1HB TYR 7 0.306 -6.710 -0.401
51 2HB TYR 7 2HB TYR 7 1.602 -6.580 -1.594
52 HD1 TYR 7 HD1 TYR 7 3.696 -7.411 -0.941
53 HD2 TYR 7 HD2 TYR 7 1.057 -5.751 2.003
54 HE1 TYR 7 HE1 TYR 7 5.384 -7.855 0.820
55 HE2 TYR 7 HE2 TYR 7 2.735 -6.206 3.771
56 HH TYR 7 HH TYR 7 5.971 -7.172 3.020
57 H GLY 8 H GLY 8 -0.396 -3.125 -1.873
58 1HA GLY 8 1HA GLY 8 0.216 -3.616 -4.605
59 2HA GLY 8 2HA GLY 8 -0.422 -2.090 -3.985
60 H PHE 9 H PHE 9 1.207 -1.063 -2.508
61 HA PHE 9 HA PHE 9 3.912 -0.929 -3.783
62 1HB PHE 9 1HB PHE 9 2.178 1.276 -2.593
63 2HB PHE 9 2HB PHE 9 3.789 1.515 -3.259
64 HD1 PHE 9 HD1 PHE 9 0.847 2.582 -4.058
65 HD2 PHE 9 HD2 PHE 9 3.568 -0.336 -5.646
66 HE1 PHE 9 HE1 PHE 9 -0.158 2.869 -6.307
67 HE2 PHE 9 HE2 PHE 9 2.564 -0.051 -7.890
68 HZ PHE 9 HZ PHE 9 0.702 1.553 -8.224
69 H ARG 10 H ARG 10 3.182 -2.669 -1.711
70 HA ARG 10 HA ARG 10 3.131 -1.912 0.910
71 1HB ARG 10 1HB ARG 10 4.749 -3.978 1.257
72 2HB ARG 10 2HB ARG 10 3.134 -4.196 0.616
73 1HG ARG 10 1HG ARG 10 3.953 -5.056 -1.296
74 2HG ARG 10 2HG ARG 10 4.961 -3.631 -1.550
75 1HD ARG 10 1HD ARG 10 5.913 -5.439 0.584
76 2HD ARG 10 2HD ARG 10 5.987 -6.108 -1.060
77 HE ARG 10 HE ARG 10 6.908 -3.339 -0.886
78 1HH1 ARG 10 1HH1 ARG 10 8.574 -4.998 1.009
79 2HH1 ARG 10 2HH1 ARG 10 9.865 -5.511 -0.025
80 1HH2 ARG 10 1HH2 ARG 10 8.165 -4.715 -2.950
81 2HH2 ARG 10 2HH2 ARG 10 9.632 -5.349 -2.283
82 H GLY 11 H GLY 11 5.077 -2.200 2.538
83 1HA GLY 11 1HA GLY 11 7.194 -1.294 3.327
84 2HA GLY 11 2HA GLY 11 7.468 -0.599 1.700
85 HA PRO 12 HA PRO 12 2.923 0.963 2.681
86 1HB PRO 12 1HB PRO 12 2.268 0.770 5.220
87 2HB PRO 12 2HB PRO 12 2.307 -0.644 4.162
88 1HG PRO 12 1HG PRO 12 4.256 0.203 6.218
89 2HG PRO 12 2HG PRO 12 3.698 -1.425 5.799
90 1HD PRO 12 1HD PRO 12 6.040 -0.164 4.905
91 2HD PRO 12 2HD PRO 12 5.339 -1.672 4.273
92 H GLY 13 H GLY 13 1.845 2.606 3.894
93 1HA GLY 13 1HA GLY 13 1.813 4.639 5.178
94 2HA GLY 13 2HA GLY 13 3.572 4.570 5.297
95 H LEU 14 H LEU 14 2.293 4.041 2.139
96 HA LEU 14 HA LEU 14 2.996 6.860 1.446
97 1HB LEU 14 1HB LEU 14 3.758 5.785 -0.763
98 2HB LEU 14 2HB LEU 14 4.734 5.422 0.658
99 HG LEU 14 HG LEU 14 3.473 3.296 0.949
100 1HD1 LEU 14 1HD1 LEU 14 1.388 3.541 -0.045
101 2HD1 LEU 14 2HD1 LEU 14 2.235 2.674 -1.323
102 3HD1 LEU 14 3HD1 LEU 14 2.036 4.415 -1.425
103 1HD2 LEU 14 1HD2 LEU 14 5.039 3.924 -1.522
104 2HD2 LEU 14 2HD2 LEU 14 4.279 2.338 -1.396
105 3HD2 LEU 14 3HD2 LEU 14 5.445 2.856 -0.179
106 H CYS 15 H CYS 15 0.333 5.865 2.074
107 HA CYS 15 HA CYS 15 -1.412 5.163 0.069
108 1HB CYS 15 1HB CYS 15 -1.441 7.111 2.354
109 2HB CYS 15 2HB CYS 15 -2.817 7.130 1.261
110 HXT CYS 15 HXT CYS 15 -0.968 6.007 -2.102
Start of MODEL 3
1 H CYS 1 H CYS 1 -3.333 3.562 0.863
2 HA CYS 1 HA CYS 1 -1.851 1.948 1.565
3 1HB CYS 1 1HB CYS 1 0.152 3.100 2.199
4 2HB CYS 1 2HB CYS 1 -0.784 4.112 1.114
5 H PHE 2 H PHE 2 -2.578 0.353 3.140
6 HA PHE 2 HA PHE 2 -3.177 0.992 5.862
7 1HB PHE 2 1HB PHE 2 -2.590 -1.478 4.281
8 2HB PHE 2 2HB PHE 2 -2.648 -1.594 6.033
9 HD1 PHE 2 HD1 PHE 2 -4.594 -2.787 6.501
10 HD2 PHE 2 HD2 PHE 2 -4.752 0.485 3.720
11 HE1 PHE 2 HE1 PHE 2 -7.055 -3.016 6.379
12 HE2 PHE 2 HE2 PHE 2 -7.225 0.257 3.600
13 HZ PHE 2 HZ PHE 2 -8.371 -1.501 4.927
14 H ARG 3 H ARG 3 -0.733 -0.462 4.163
15 HA ARG 3 HA ARG 3 1.425 0.529 5.917
16 1HB ARG 3 1HB ARG 3 0.551 -2.096 5.208
17 2HB ARG 3 2HB ARG 3 2.018 -1.776 4.277
18 1HG ARG 3 1HG ARG 3 3.115 -1.082 6.453
19 2HG ARG 3 2HG ARG 3 1.689 -1.715 7.277
20 1HD ARG 3 1HD ARG 3 3.716 -3.232 5.618
21 2HD ARG 3 2HD ARG 3 3.188 -3.559 7.281
22 HE ARG 3 HE ARG 3 1.348 -3.844 4.928
23 1HH1 ARG 3 1HH1 ARG 3 2.899 -6.239 5.958
24 2HH1 ARG 3 2HH1 ARG 3 1.733 -6.973 7.008
25 1HH2 ARG 3 1HH2 ARG 3 -0.295 -4.157 7.154
26 2HH2 ARG 3 2HH2 ARG 3 -0.080 -5.790 7.688
27 H ALA 4 H ALA 4 0.669 -1.095 3.100
28 HA ALA 4 HA ALA 4 0.652 1.251 1.368
29 1HB ALA 4 1HB ALA 4 3.034 0.238 1.298
30 2HB ALA 4 2HB ALA 4 2.222 0.395 -0.254
31 3HB ALA 4 3HB ALA 4 2.294 -1.176 0.537
32 H ARG 5 H ARG 5 -1.643 0.409 1.851
33 HA ARG 5 HA ARG 5 -2.190 -2.190 0.647
34 1HB ARG 5 1HB ARG 5 -3.542 -1.433 2.546
35 2HB ARG 5 2HB ARG 5 -3.940 0.076 1.729
36 1HG ARG 5 1HG ARG 5 -5.879 -1.229 1.379
37 2HG ARG 5 2HG ARG 5 -4.974 -1.432 -0.119
38 1HD ARG 5 1HD ARG 5 -4.504 -3.645 0.303
39 2HD ARG 5 2HD ARG 5 -4.377 -3.384 2.055
40 HE ARG 5 HE ARG 5 -6.884 -3.181 2.077
41 1HH1 ARG 5 1HH1 ARG 5 -6.358 -6.011 1.505
42 2HH1 ARG 5 2HH1 ARG 5 -7.269 -6.299 0.058
43 1HH2 ARG 5 1HH2 ARG 5 -7.611 -2.936 -0.713
44 2HH2 ARG 5 2HH2 ARG 5 -7.977 -4.558 -1.196
45 H GLY 6 H GLY 6 -1.395 0.760 -0.376
46 1HA GLY 6 1HA GLY 6 -2.704 0.556 -3.034
47 2HA GLY 6 2HA GLY 6 -1.647 1.914 -2.495
48 H TYR 7 H TYR 7 -1.716 -1.533 -2.416
49 HA TYR 7 HA TYR 7 0.642 -2.322 -1.621
50 1HB TYR 7 1HB TYR 7 -1.429 -3.576 -2.432
51 2HB TYR 7 2HB TYR 7 -0.588 -3.649 -3.971
52 HD1 TYR 7 HD1 TYR 7 -1.167 -5.422 -1.023
53 HD2 TYR 7 HD2 TYR 7 2.012 -4.366 -3.700
54 HE1 TYR 7 HE1 TYR 7 0.161 -7.353 -0.215
55 HE2 TYR 7 HE2 TYR 7 3.346 -6.283 -2.893
56 HH TYR 7 HH TYR 7 2.750 -8.606 -1.757
57 H GLY 8 H GLY 8 2.199 -0.976 -2.256
58 1HA GLY 8 1HA GLY 8 3.350 -1.407 -4.975
59 2HA GLY 8 2HA GLY 8 4.171 -0.539 -3.625
60 H PHE 9 H PHE 9 4.187 -1.819 -1.633
61 HA PHE 9 HA PHE 9 4.382 -4.704 -1.740
62 1HB PHE 9 1HB PHE 9 6.497 -2.889 -0.507
63 2HB PHE 9 2HB PHE 9 6.539 -4.652 -0.574
64 HD1 PHE 9 HD1 PHE 9 7.210 -1.564 -2.356
65 HD2 PHE 9 HD2 PHE 9 6.684 -5.799 -2.794
66 HE1 PHE 9 HE1 PHE 9 8.222 -1.454 -4.619
67 HE2 PHE 9 HE2 PHE 9 7.696 -5.698 -5.048
68 HZ PHE 9 HZ PHE 9 8.458 -3.524 -5.968
69 H ARG 10 H ARG 10 2.241 -4.347 -0.516
70 HA ARG 10 HA ARG 10 1.397 -2.571 1.257
71 1HB ARG 10 1HB ARG 10 0.679 -4.530 2.764
72 2HB ARG 10 2HB ARG 10 0.271 -4.691 1.053
73 1HG ARG 10 1HG ARG 10 2.261 -6.042 0.661
74 2HG ARG 10 2HG ARG 10 2.765 -5.835 2.336
75 1HD ARG 10 1HD ARG 10 0.026 -6.968 1.828
76 2HD ARG 10 2HD ARG 10 1.434 -8.031 1.646
77 HE ARG 10 HE ARG 10 0.926 -6.448 4.144
78 1HH1 ARG 10 1HH1 ARG 10 3.594 -7.776 3.820
79 2HH1 ARG 10 2HH1 ARG 10 3.351 -9.283 4.637
80 1HH2 ARG 10 1HH2 ARG 10 -0.107 -9.039 4.627
81 2HH2 ARG 10 2HH2 ARG 10 1.257 -9.997 5.094
82 H GLY 11 H GLY 11 3.240 -1.425 1.880
83 1HA GLY 11 1HA GLY 11 4.152 -1.654 4.534
84 2HA GLY 11 2HA GLY 11 5.413 -2.214 3.432
85 HA PRO 12 HA PRO 12 6.456 1.702 1.481
86 1HB PRO 12 1HB PRO 12 3.818 1.741 0.003
87 2HB PRO 12 2HB PRO 12 5.395 2.358 -0.541
88 1HG PRO 12 1HG PRO 12 4.537 -0.037 -1.243
89 2HG PRO 12 2HG PRO 12 6.241 0.248 -0.861
90 1HD PRO 12 1HD PRO 12 4.269 -1.305 0.607
91 2HD PRO 12 2HD PRO 12 6.034 -1.290 0.789
92 H GLY 13 H GLY 13 3.016 2.574 1.270
93 1HA GLY 13 1HA GLY 13 1.946 3.782 3.227
94 2HA GLY 13 2HA GLY 13 3.502 4.599 3.419
95 H LEU 14 H LEU 14 1.728 3.758 0.521
96 HA LEU 14 HA LEU 14 1.773 6.620 -0.355
97 1HB LEU 14 1HB LEU 14 1.305 5.216 -2.626
98 2HB LEU 14 2HB LEU 14 2.936 5.464 -2.014
99 HG LEU 14 HG LEU 14 2.832 3.285 -0.847
100 1HD1 LEU 14 1HD1 LEU 14 0.224 2.807 -2.303
101 2HD1 LEU 14 2HD1 LEU 14 0.278 3.380 -0.639
102 3HD1 LEU 14 3HD1 LEU 14 0.968 1.816 -1.047
103 1HD2 LEU 14 1HD2 LEU 14 3.671 3.457 -3.199
104 2HD2 LEU 14 2HD2 LEU 14 2.057 3.030 -3.767
105 3HD2 LEU 14 3HD2 LEU 14 2.994 1.875 -2.820
106 H CYS 15 H CYS 15 -0.207 6.784 1.093
107 HA CYS 15 HA CYS 15 -2.578 5.248 0.518
108 1HB CYS 15 1HB CYS 15 -1.804 7.677 2.100
109 2HB CYS 15 2HB CYS 15 -3.514 7.442 1.768
110 HXT CYS 15 HXT CYS 15 -1.716 8.685 -0.271
Start of MODEL 4
1 H CYS 1 H CYS 1 -0.140 2.184 -0.282
2 HA CYS 1 HA CYS 1 -2.593 3.787 -0.125
3 1HB CYS 1 1HB CYS 1 -3.081 1.554 -1.259
4 2HB CYS 1 2HB CYS 1 -2.761 0.828 0.311
5 H PHE 2 H PHE 2 -3.038 1.496 2.044
6 HA PHE 2 HA PHE 2 -1.794 3.110 4.141
7 1HB PHE 2 1HB PHE 2 -4.280 2.155 3.872
8 2HB PHE 2 2HB PHE 2 -3.553 0.836 4.799
9 HD1 PHE 2 HD1 PHE 2 -5.082 4.039 5.040
10 HD2 PHE 2 HD2 PHE 2 -2.041 1.572 6.794
11 HE1 PHE 2 HE1 PHE 2 -5.102 5.461 7.078
12 HE2 PHE 2 HE2 PHE 2 -2.061 2.979 8.827
13 HZ PHE 2 HZ PHE 2 -3.588 4.928 8.971
14 H ARG 3 H ARG 3 -2.288 -0.317 3.815
15 HA ARG 3 HA ARG 3 0.280 -0.845 5.132
16 1HB ARG 3 1HB ARG 3 -2.166 -2.185 4.644
17 2HB ARG 3 2HB ARG 3 -1.046 -2.922 3.499
18 1HG ARG 3 1HG ARG 3 -1.201 -4.086 5.764
19 2HG ARG 3 2HG ARG 3 0.428 -3.633 5.264
20 1HD ARG 3 1HD ARG 3 -0.919 -1.475 6.713
21 2HD ARG 3 2HD ARG 3 -0.747 -2.945 7.690
22 HE ARG 3 HE ARG 3 1.543 -1.618 6.279
23 1HH1 ARG 3 1HH1 ARG 3 0.728 -4.372 7.978
24 2HH1 ARG 3 2HH1 ARG 3 1.973 -4.224 9.173
25 1HH2 ARG 3 1HH2 ARG 3 2.925 -1.046 8.159
26 2HH2 ARG 3 2HH2 ARG 3 3.220 -2.336 9.277
27 H ALA 4 H ALA 4 1.524 0.374 3.704
28 HA ALA 4 HA ALA 4 1.300 1.471 1.384
29 1HB ALA 4 1HB ALA 4 3.599 0.085 2.531
30 2HB ALA 4 2HB ALA 4 3.553 1.595 1.633
31 3HB ALA 4 3HB ALA 4 3.667 0.072 0.771
32 H ARG 5 H ARG 5 -0.517 0.356 1.016
33 HA ARG 5 HA ARG 5 -0.419 -2.134 -0.609
34 1HB ARG 5 1HB ARG 5 -1.986 -2.383 1.036
35 2HB ARG 5 2HB ARG 5 -2.137 -0.653 1.280
36 1HG ARG 5 1HG ARG 5 -3.608 -0.615 -0.836
37 2HG ARG 5 2HG ARG 5 -3.611 -2.385 -0.747
38 1HD ARG 5 1HD ARG 5 -4.313 -2.058 1.737
39 2HD ARG 5 2HD ARG 5 -4.708 -0.402 1.257
40 HE ARG 5 HE ARG 5 -5.873 -2.218 -0.625
41 1HH1 ARG 5 1HH1 ARG 5 -6.261 -3.118 2.401
42 2HH1 ARG 5 2HH1 ARG 5 -7.871 -2.532 2.656
43 1HH2 ARG 5 1HH2 ARG 5 -7.889 -0.555 -0.192
44 2HH2 ARG 5 2HH2 ARG 5 -8.792 -1.081 1.189
45 H GLY 6 H GLY 6 0.341 0.671 -1.565
46 1HA GLY 6 1HA GLY 6 -1.703 1.466 -3.489
47 2HA GLY 6 2HA GLY 6 0.032 1.835 -3.604
48 H TYR 7 H TYR 7 0.652 -0.908 -2.964
49 HA TYR 7 HA TYR 7 0.089 -2.378 -5.492
50 1HB TYR 7 1HB TYR 7 2.369 -1.700 -5.547
51 2HB TYR 7 2HB TYR 7 2.533 -1.937 -3.816
52 HD1 TYR 7 HD1 TYR 7 1.769 -4.596 -3.242
53 HD2 TYR 7 HD2 TYR 7 3.749 -3.225 -6.782
54 HE1 TYR 7 HE1 TYR 7 2.895 -6.748 -3.406
55 HE2 TYR 7 HE2 TYR 7 4.836 -5.445 -6.988
56 HH TYR 7 HH TYR 7 5.487 -7.295 -4.931
57 H GLY 8 H GLY 8 1.048 -2.654 -2.110
58 1HA GLY 8 1HA GLY 8 -0.594 -3.958 -0.575
59 2HA GLY 8 2HA GLY 8 -0.569 -5.189 -1.832
60 H PHE 9 H PHE 9 2.329 -3.511 -1.008
61 HA PHE 9 HA PHE 9 3.418 -5.761 0.559
62 1HB PHE 9 1HB PHE 9 5.589 -5.227 -0.636
63 2HB PHE 9 2HB PHE 9 4.368 -5.922 -1.697
64 HD1 PHE 9 HD1 PHE 9 3.742 -2.513 -0.697
65 HD2 PHE 9 HD2 PHE 9 5.806 -4.926 -3.590
66 HE1 PHE 9 HE1 PHE 9 4.010 -0.546 -2.144
67 HE2 PHE 9 HE2 PHE 9 6.066 -2.914 -5.061
68 HZ PHE 9 HZ PHE 9 5.145 -0.737 -4.326
69 H ARG 10 H ARG 10 2.383 -4.225 2.028
70 HA ARG 10 HA ARG 10 2.710 -1.582 2.337
71 1HB ARG 10 1HB ARG 10 2.863 -2.154 4.869
72 2HB ARG 10 2HB ARG 10 1.480 -2.763 3.956
73 1HG ARG 10 1HG ARG 10 2.213 -4.937 4.039
74 2HG ARG 10 2HG ARG 10 3.910 -4.475 3.934
75 1HD ARG 10 1HD ARG 10 3.448 -3.468 6.365
76 2HD ARG 10 2HD ARG 10 2.162 -4.691 6.365
77 HE ARG 10 HE ARG 10 4.620 -5.822 5.377
78 1HH1 ARG 10 1HH1 ARG 10 2.552 -6.862 7.434
79 2HH1 ARG 10 2HH1 ARG 10 3.560 -7.011 8.836
80 1HH2 ARG 10 1HH2 ARG 10 6.116 -5.069 7.512
81 2HH2 ARG 10 2HH2 ARG 10 5.588 -5.991 8.880
82 H GLY 11 H GLY 11 4.663 -1.136 1.270
83 1HA GLY 11 1HA GLY 11 7.060 -1.174 3.045
84 2HA GLY 11 2HA GLY 11 7.165 -1.307 1.281
85 HA PRO 12 HA PRO 12 6.780 3.069 0.968
86 1HB PRO 12 1HB PRO 12 4.084 2.813 -0.371
87 2HB PRO 12 2HB PRO 12 5.455 3.849 -0.826
88 1HG PRO 12 1HG PRO 12 5.025 1.560 -2.057
89 2HG PRO 12 2HG PRO 12 6.671 2.073 -1.651
90 1HD PRO 12 1HD PRO 12 5.050 -0.093 -0.484
91 2HD PRO 12 2HD PRO 12 6.812 0.111 -0.503
92 H GLY 13 H GLY 13 3.477 3.877 0.859
93 1HA GLY 13 1HA GLY 13 2.283 3.719 3.309
94 2HA GLY 13 2HA GLY 13 3.556 4.906 3.616
95 H LEU 14 H LEU 14 0.526 4.355 1.867
96 HA LEU 14 HA LEU 14 0.594 7.213 1.001
97 1HB LEU 14 1HB LEU 14 -0.742 4.839 -0.260
98 2HB LEU 14 2HB LEU 14 -0.753 6.482 -0.908
99 HG LEU 14 HG LEU 14 1.899 6.150 -0.514
100 1HD1 LEU 14 1HD1 LEU 14 1.208 3.709 0.169
101 2HD1 LEU 14 2HD1 LEU 14 2.617 3.954 -0.857
102 3HD1 LEU 14 3HD1 LEU 14 1.080 3.460 -1.569
103 1HD2 LEU 14 1HD2 LEU 14 0.306 5.226 -2.923
104 2HD2 LEU 14 2HD2 LEU 14 2.018 5.654 -2.936
105 3HD2 LEU 14 3HD2 LEU 14 0.802 6.885 -2.589
106 H CYS 15 H CYS 15 -1.990 4.948 1.083
107 HA CYS 15 HA CYS 15 -4.131 6.625 1.439
108 1HB CYS 15 1HB CYS 15 -3.611 3.830 2.373
109 2HB CYS 15 2HB CYS 15 -5.154 4.587 2.688
110 HXT CYS 15 HXT CYS 15 -2.076 5.297 4.055
Start of MODEL 5
1 H CYS 1 H CYS 1 -1.514 2.647 0.520
2 HA CYS 1 HA CYS 1 -3.723 3.174 1.086
3 1HB CYS 1 1HB CYS 1 -3.600 2.016 -1.322
4 2HB CYS 1 2HB CYS 1 -4.638 0.844 -0.516
5 H PHE 2 H PHE 2 -2.252 0.641 2.162
6 HA PHE 2 HA PHE 2 -4.358 -0.258 4.028
7 1HB PHE 2 1HB PHE 2 -2.363 -1.750 2.412
8 2HB PHE 2 2HB PHE 2 -2.732 -2.363 4.009
9 HD1 PHE 2 HD1 PHE 2 -4.641 -1.006 1.051
10 HD2 PHE 2 HD2 PHE 2 -4.360 -3.973 4.141
11 HE1 PHE 2 HE1 PHE 2 -6.699 -2.090 0.199
12 HE2 PHE 2 HE2 PHE 2 -6.419 -5.058 3.294
13 HZ PHE 2 HZ PHE 2 -7.592 -4.116 1.321
14 H ARG 3 H ARG 3 -1.033 -0.723 3.561
15 HA ARG 3 HA ARG 3 -0.254 0.594 6.108
16 1HB ARG 3 1HB ARG 3 -0.175 -2.067 5.397
17 2HB ARG 3 2HB ARG 3 1.382 -1.516 4.784
18 1HG ARG 3 1HG ARG 3 1.592 -0.440 7.189
19 2HG ARG 3 2HG ARG 3 0.401 -1.677 7.600
20 1HD ARG 3 1HD ARG 3 3.176 -2.098 6.446
21 2HD ARG 3 2HD ARG 3 2.495 -2.772 7.938
22 HE ARG 3 HE ARG 3 1.370 -3.489 5.249
23 1HH1 ARG 3 1HH1 ARG 3 3.684 -5.071 6.600
24 2HH1 ARG 3 2HH1 ARG 3 2.791 -6.394 7.274
25 1HH2 ARG 3 1HH2 ARG 3 -0.293 -4.843 6.898
26 2HH2 ARG 3 2HH2 ARG 3 0.533 -6.264 7.443
27 H ALA 4 H ALA 4 0.813 -0.794 3.254
28 HA ALA 4 HA ALA 4 1.632 1.734 1.976
29 1HB ALA 4 1HB ALA 4 3.320 -0.611 2.729
30 2HB ALA 4 2HB ALA 4 3.777 1.078 2.551
31 3HB ALA 4 3HB ALA 4 3.580 0.066 1.125
32 H ARG 5 H ARG 5 -0.789 0.234 1.666
33 HA ARG 5 HA ARG 5 -0.277 -1.641 -0.497
34 1HB ARG 5 1HB ARG 5 -2.053 -2.110 1.063
35 2HB ARG 5 2HB ARG 5 -2.866 -0.604 0.654
36 1HG ARG 5 1HG ARG 5 -3.739 -2.783 -0.457
37 2HG ARG 5 2HG ARG 5 -3.474 -1.389 -1.494
38 1HD ARG 5 1HD ARG 5 -1.584 -2.317 -2.502
39 2HD ARG 5 2HD ARG 5 -1.213 -3.337 -1.104
40 HE ARG 5 HE ARG 5 -2.922 -4.880 -1.803
41 1HH1 ARG 5 1HH1 ARG 5 -1.597 -3.421 -4.383
42 2HH1 ARG 5 2HH1 ARG 5 -2.979 -3.505 -5.426
43 1HH2 ARG 5 1HH2 ARG 5 -5.164 -4.438 -2.899
44 2HH2 ARG 5 2HH2 ARG 5 -4.999 -4.082 -4.586
45 H GLY 6 H GLY 6 0.749 0.754 -1.231
46 1HA GLY 6 1HA GLY 6 -1.088 2.055 -3.143
47 2HA GLY 6 2HA GLY 6 0.696 2.071 -3.276
48 H TYR 7 H TYR 7 1.642 -0.146 -3.433
49 HA TYR 7 HA TYR 7 0.031 -2.063 -5.041
50 1HB TYR 7 1HB TYR 7 2.734 -2.486 -5.602
51 2HB TYR 7 2HB TYR 7 1.554 -1.811 -6.727
52 HD1 TYR 7 HD1 TYR 7 4.538 -1.192 -4.861
53 HD2 TYR 7 HD2 TYR 7 1.117 0.755 -6.570
54 HE1 TYR 7 HE1 TYR 7 5.729 0.981 -4.750
55 HE2 TYR 7 HE2 TYR 7 2.302 2.928 -6.460
56 HH TYR 7 HH TYR 7 4.935 3.593 -6.420
57 H GLY 8 H GLY 8 3.005 -1.615 -3.461
58 1HA GLY 8 1HA GLY 8 3.240 -4.202 -2.282
59 2HA GLY 8 2HA GLY 8 4.264 -2.796 -1.925
60 H PHE 9 H PHE 9 1.311 -4.341 -1.274
61 HA PHE 9 HA PHE 9 -0.208 -2.806 0.358
62 1HB PHE 9 1HB PHE 9 -0.417 -4.994 1.843
63 2HB PHE 9 2HB PHE 9 -0.974 -5.015 0.172
64 HD1 PHE 9 HD1 PHE 9 0.221 -6.224 -1.537
65 HD2 PHE 9 HD2 PHE 9 1.749 -6.010 2.470
66 HE1 PHE 9 HE1 PHE 9 1.858 -8.004 -2.071
67 HE2 PHE 9 HE2 PHE 9 3.393 -7.790 1.936
68 HZ PHE 9 HZ PHE 9 3.446 -8.789 -0.335
69 H ARG 10 H ARG 10 2.838 -4.059 1.198
70 HA ARG 10 HA ARG 10 2.833 -2.286 3.611
71 1HB ARG 10 1HB ARG 10 3.876 -4.071 4.849
72 2HB ARG 10 2HB ARG 10 2.398 -4.664 4.095
73 1HG ARG 10 1HG ARG 10 3.674 -6.341 3.269
74 2HG ARG 10 2HG ARG 10 4.292 -5.133 2.141
75 1HD ARG 10 1HD ARG 10 5.787 -4.694 4.470
76 2HD ARG 10 2HD ARG 10 5.669 -6.461 4.348
77 HE ARG 10 HE ARG 10 6.686 -4.700 2.152
78 1HH1 ARG 10 1HH1 ARG 10 7.989 -6.860 4.144
79 2HH1 ARG 10 2HH1 ARG 10 8.379 -8.076 2.974
80 1HH2 ARG 10 1HH2 ARG 10 6.448 -6.646 0.466
81 2HH2 ARG 10 2HH2 ARG 10 7.503 -7.953 0.884
82 H GLY 11 H GLY 11 3.998 -1.802 0.916
83 1HA GLY 11 1HA GLY 11 6.900 -1.956 1.597
84 2HA GLY 11 2HA GLY 11 6.273 -1.865 -0.045
85 HA PRO 12 HA PRO 12 6.722 2.444 -0.180
86 1HB PRO 12 1HB PRO 12 3.809 2.686 -0.859
87 2HB PRO 12 2HB PRO 12 5.220 3.375 -1.689
88 1HG PRO 12 1HG PRO 12 3.977 1.230 -2.644
89 2HG PRO 12 2HG PRO 12 5.737 1.404 -2.741
90 1HD PRO 12 1HD PRO 12 4.121 -0.376 -1.021
91 2HD PRO 12 2HD PRO 12 5.780 -0.575 -1.623
92 H GLY 13 H GLY 13 4.319 4.271 0.287
93 1HA GLY 13 1HA GLY 13 3.457 3.922 3.025
94 2HA GLY 13 2HA GLY 13 4.775 5.095 2.908
95 H LEU 14 H LEU 14 1.832 4.324 1.040
96 HA LEU 14 HA LEU 14 1.265 7.257 0.855
97 1HB LEU 14 1HB LEU 14 0.159 6.607 -1.295
98 2HB LEU 14 2HB LEU 14 1.884 6.264 -1.253
99 HG LEU 14 HG LEU 14 0.458 3.995 -0.192
100 1HD1 LEU 14 1HD1 LEU 14 -1.042 5.323 -2.192
101 2HD1 LEU 14 2HD1 LEU 14 -1.296 3.694 -1.569
102 3HD1 LEU 14 3HD1 LEU 14 -0.278 3.945 -2.985
103 1HD2 LEU 14 1HD2 LEU 14 2.758 4.356 -1.413
104 2HD2 LEU 14 2HD2 LEU 14 1.805 4.085 -2.871
105 3HD2 LEU 14 3HD2 LEU 14 1.886 2.839 -1.624
106 H CYS 15 H CYS 15 -1.242 5.882 -0.448
107 HA CYS 15 HA CYS 15 -3.257 6.639 1.249
108 1HB CYS 15 1HB CYS 15 -3.542 5.796 -1.039
109 2HB CYS 15 2HB CYS 15 -3.054 4.184 -0.522
110 HXT CYS 15 HXT CYS 15 -4.557 5.467 2.877
Start of MODEL 6
1 H CYS 1 H CYS 1 -0.850 3.188 2.290
2 HA CYS 1 HA CYS 1 -2.683 2.029 3.239
3 1HB CYS 1 1HB CYS 1 -3.638 3.408 0.933
4 2HB CYS 1 2HB CYS 1 -4.417 1.831 1.011
5 H PHE 2 H PHE 2 -2.295 1.325 -0.086
6 HA PHE 2 HA PHE 2 -3.066 -1.421 0.141
7 1HB PHE 2 1HB PHE 2 -2.164 0.338 -2.070
8 2HB PHE 2 2HB PHE 2 -2.764 -1.306 -2.326
9 HD1 PHE 2 HD1 PHE 2 -4.976 -1.752 -0.771
10 HD2 PHE 2 HD2 PHE 2 -3.803 2.027 -2.450
11 HE1 PHE 2 HE1 PHE 2 -7.302 -0.940 -0.553
12 HE2 PHE 2 HE2 PHE 2 -6.146 2.837 -2.234
13 HZ PHE 2 HZ PHE 2 -7.888 1.353 -1.280
14 H ARG 3 H ARG 3 -0.089 -0.385 -1.423
15 HA ARG 3 HA ARG 3 1.125 -2.758 -0.276
16 1HB ARG 3 1HB ARG 3 2.044 -1.965 -2.346
17 2HB ARG 3 2HB ARG 3 1.876 -0.302 -1.839
18 1HG ARG 3 1HG ARG 3 3.812 -0.508 -0.383
19 2HG ARG 3 2HG ARG 3 3.879 -2.241 -0.670
20 1HD ARG 3 1HD ARG 3 5.480 -0.598 -2.024
21 2HD ARG 3 2HD ARG 3 4.761 -1.998 -2.824
22 HE ARG 3 HE ARG 3 3.073 0.389 -2.975
23 1HH1 ARG 3 1HH1 ARG 3 6.146 -0.463 -4.149
24 2HH1 ARG 3 2HH1 ARG 3 5.772 -0.158 -5.812
25 1HH2 ARG 3 1HH2 ARG 3 2.411 0.423 -5.255
26 2HH2 ARG 3 2HH2 ARG 3 3.677 0.340 -6.432
27 H ALA 4 H ALA 4 2.498 0.170 0.239
28 HA ALA 4 HA ALA 4 0.920 0.542 2.655
29 1HB ALA 4 1HB ALA 4 3.706 1.730 2.430
30 2HB ALA 4 2HB ALA 4 3.470 0.111 3.077
31 3HB ALA 4 3HB ALA 4 2.749 1.496 3.891
32 H ARG 5 H ARG 5 0.766 0.930 -0.174
33 HA ARG 5 HA ARG 5 -0.463 3.489 -0.289
34 1HB ARG 5 1HB ARG 5 1.927 4.134 -0.443
35 2HB ARG 5 2HB ARG 5 2.120 3.018 -1.790
36 1HG ARG 5 1HG ARG 5 1.709 5.551 -2.307
37 2HG ARG 5 2HG ARG 5 0.878 4.325 -3.259
38 1HD ARG 5 1HD ARG 5 -1.158 4.594 -1.904
39 2HD ARG 5 2HD ARG 5 -0.330 5.769 -0.862
40 HE ARG 5 HE ARG 5 -0.955 6.195 -3.750
41 1HH1 ARG 5 1HH1 ARG 5 1.477 7.675 -2.933
42 2HH1 ARG 5 2HH1 ARG 5 0.836 9.178 -2.359
43 1HH2 ARG 5 1HH2 ARG 5 -2.402 7.979 -2.040
44 2HH2 ARG 5 2HH2 ARG 5 -1.359 9.349 -1.853
45 H GLY 6 H GLY 6 1.263 1.099 -1.936
46 1HA GLY 6 1HA GLY 6 -0.201 1.024 -4.427
47 2HA GLY 6 2HA GLY 6 1.146 0.018 -3.943
48 H TYR 7 H TYR 7 0.642 -1.920 -2.656
49 HA TYR 7 HA TYR 7 -2.055 -2.966 -3.292
50 1HB TYR 7 1HB TYR 7 -0.311 -5.083 -2.864
51 2HB TYR 7 2HB TYR 7 -0.860 -4.498 -4.443
52 HD1 TYR 7 HD1 TYR 7 0.572 -2.525 -5.473
53 HD2 TYR 7 HD2 TYR 7 1.936 -5.053 -2.284
54 HE1 TYR 7 HE1 TYR 7 2.919 -1.966 -6.033
55 HE2 TYR 7 HE2 TYR 7 4.282 -4.487 -2.833
56 HH TYR 7 HH TYR 7 5.322 -3.475 -5.520
57 H GLY 8 H GLY 8 0.469 -4.159 -1.315
58 1HA GLY 8 1HA GLY 8 -1.366 -4.727 0.923
59 2HA GLY 8 2HA GLY 8 -0.090 -5.835 0.419
60 H PHE 9 H PHE 9 -0.855 -3.626 2.490
61 HA PHE 9 HA PHE 9 0.586 -1.675 3.332
62 1HB PHE 9 1HB PHE 9 0.836 -2.770 5.585
63 2HB PHE 9 2HB PHE 9 -0.760 -2.956 4.862
64 HD1 PHE 9 HD1 PHE 9 -1.327 -5.138 3.650
65 HD2 PHE 9 HD2 PHE 9 2.191 -4.692 6.083
66 HE1 PHE 9 HE1 PHE 9 -1.120 -7.605 3.805
67 HE2 PHE 9 HE2 PHE 9 2.394 -7.160 6.232
68 HZ PHE 9 HZ PHE 9 0.739 -8.616 5.097
69 H ARG 10 H ARG 10 2.392 -1.997 1.636
70 HA ARG 10 HA ARG 10 4.822 -2.924 3.076
71 1HB ARG 10 1HB ARG 10 3.860 -3.543 0.330
72 2HB ARG 10 2HB ARG 10 5.564 -3.738 0.754
73 1HG ARG 10 1HG ARG 10 3.734 -4.830 2.772
74 2HG ARG 10 2HG ARG 10 3.578 -5.619 1.201
75 1HD ARG 10 1HD ARG 10 6.347 -5.341 1.578
76 2HD ARG 10 2HD ARG 10 5.713 -5.855 3.155
77 HE ARG 10 HE ARG 10 4.350 -7.522 1.538
78 1HH1 ARG 10 1HH1 ARG 10 6.927 -6.459 -0.118
79 2HH1 ARG 10 2HH1 ARG 10 7.830 -7.938 -0.118
80 1HH2 ARG 10 1HH2 ARG 10 5.811 -9.476 2.245
81 2HH2 ARG 10 2HH2 ARG 10 7.197 -9.647 1.220
82 H GLY 11 H GLY 11 5.749 -2.033 -0.018
83 1HA GLY 11 1HA GLY 11 7.477 0.022 0.697
84 2HA GLY 11 2HA GLY 11 6.814 -0.137 -0.919
85 HA PRO 12 HA PRO 12 6.109 4.467 -0.419
86 1HB PRO 12 1HB PRO 12 3.626 2.742 -0.294
87 2HB PRO 12 2HB PRO 12 3.812 4.331 -1.064
88 1HG PRO 12 1HG PRO 12 4.171 1.956 -2.388
89 2HG PRO 12 2HG PRO 12 4.953 3.476 -2.850
90 1HD PRO 12 1HD PRO 12 6.247 1.119 -1.969
91 2HD PRO 12 2HD PRO 12 6.984 2.718 -2.197
92 H GLY 13 H GLY 13 3.337 3.526 1.398
93 1HA GLY 13 1HA GLY 13 4.004 3.038 3.988
94 2HA GLY 13 2HA GLY 13 4.622 4.677 3.822
95 H LEU 14 H LEU 14 2.955 6.230 2.857
96 HA LEU 14 HA LEU 14 0.790 6.671 4.590
97 1HB LEU 14 1HB LEU 14 -0.022 8.015 2.479
98 2HB LEU 14 2HB LEU 14 1.510 8.445 3.230
99 HG LEU 14 HG LEU 14 2.779 7.541 1.487
100 1HD1 LEU 14 1HD1 LEU 14 0.427 5.715 0.999
101 2HD1 LEU 14 2HD1 LEU 14 2.108 5.288 1.311
102 3HD1 LEU 14 3HD1 LEU 14 1.645 5.964 -0.248
103 1HD2 LEU 14 1HD2 LEU 14 1.182 9.387 0.716
104 2HD2 LEU 14 2HD2 LEU 14 0.250 8.103 -0.052
105 3HD2 LEU 14 3HD2 LEU 14 1.917 8.398 -0.546
106 H CYS 15 H CYS 15 -1.522 7.068 3.219
107 HA CYS 15 HA CYS 15 -2.491 4.329 2.726
108 1HB CYS 15 1HB CYS 15 -3.793 5.823 4.176
109 2HB CYS 15 2HB CYS 15 -3.884 7.024 2.888
110 HXT CYS 15 HXT CYS 15 -3.612 7.268 1.028
Start of MODEL 7
1 H CYS 1 H CYS 1 -2.221 4.940 -0.275
2 HA CYS 1 HA CYS 1 -2.509 2.439 -0.415
3 1HB CYS 1 1HB CYS 1 -0.402 2.090 0.752
4 2HB CYS 1 2HB CYS 1 -0.366 3.490 -0.315
5 H PHE 2 H PHE 2 -1.692 0.758 1.289
6 HA PHE 2 HA PHE 2 -3.039 1.036 3.835
7 1HB PHE 2 1HB PHE 2 -3.538 -0.952 1.800
8 2HB PHE 2 2HB PHE 2 -3.179 -1.679 3.380
9 HD1 PHE 2 HD1 PHE 2 -4.425 -0.516 5.412
10 HD2 PHE 2 HD2 PHE 2 -5.700 -0.329 1.318
11 HE1 PHE 2 HE1 PHE 2 -6.726 0.055 6.152
12 HE2 PHE 2 HE2 PHE 2 -8.000 0.237 2.059
13 HZ PHE 2 HZ PHE 2 -8.506 0.431 4.474
14 H ARG 3 H ARG 3 -0.784 -0.512 1.894
15 HA ARG 3 HA ARG 3 1.317 -0.388 3.984
16 1HB ARG 3 1HB ARG 3 0.467 -2.486 2.370
17 2HB ARG 3 2HB ARG 3 1.752 -1.785 1.409
18 1HG ARG 3 1HG ARG 3 2.307 -3.699 3.128
19 2HG ARG 3 2HG ARG 3 3.405 -2.349 2.918
20 1HD ARG 3 1HD ARG 3 2.774 -3.053 5.351
21 2HD ARG 3 2HD ARG 3 2.680 -1.320 4.967
22 HE ARG 3 HE ARG 3 0.212 -2.048 4.243
23 1HH1 ARG 3 1HH1 ARG 3 0.882 -4.631 5.851
24 2HH1 ARG 3 2HH1 ARG 3 0.053 -4.284 7.331
25 1HH2 ARG 3 1HH2 ARG 3 -0.307 -0.899 6.621
26 2HH2 ARG 3 2HH2 ARG 3 -0.625 -2.156 7.769
27 H ALA 4 H ALA 4 1.013 -0.552 0.652
28 HA ALA 4 HA ALA 4 1.380 2.339 0.236
29 1HB ALA 4 1HB ALA 4 3.243 2.111 -1.083
30 2HB ALA 4 2HB ALA 4 2.597 0.663 -1.861
31 3HB ALA 4 3HB ALA 4 3.382 0.543 -0.290
32 H ARG 5 H ARG 5 -0.324 -0.247 -0.194
33 HA ARG 5 HA ARG 5 -2.259 0.945 -1.977
34 1HB ARG 5 1HB ARG 5 -0.206 -0.560 -3.044
35 2HB ARG 5 2HB ARG 5 -1.505 -1.736 -2.852
36 1HG ARG 5 1HG ARG 5 -2.207 -0.942 -4.852
37 2HG ARG 5 2HG ARG 5 -2.859 0.381 -3.881
38 1HD ARG 5 1HD ARG 5 -0.987 1.787 -4.326
39 2HD ARG 5 2HD ARG 5 -0.021 0.427 -4.937
40 HE ARG 5 HE ARG 5 -1.128 0.672 -6.998
41 1HH1 ARG 5 1HH1 ARG 5 -2.074 3.309 -5.439
42 2HH1 ARG 5 2HH1 ARG 5 -3.716 3.350 -5.988
43 1HH2 ARG 5 1HH2 ARG 5 -3.641 0.123 -7.262
44 2HH2 ARG 5 2HH2 ARG 5 -4.606 1.542 -7.022
45 H GLY 6 H GLY 6 -0.959 -0.991 0.242
46 1HA GLY 6 1HA GLY 6 -2.108 -2.038 2.067
47 2HA GLY 6 2HA GLY 6 -3.363 -2.621 0.913
48 H TYR 7 H TYR 7 -2.261 -3.778 -1.136
49 HA TYR 7 HA TYR 7 0.260 -4.756 -0.100
50 1HB TYR 7 1HB TYR 7 -1.833 -6.563 -0.301
51 2HB TYR 7 2HB TYR 7 -0.767 -6.942 -1.681
52 HD1 TYR 7 HD1 TYR 7 1.678 -7.324 -1.336
53 HD2 TYR 7 HD2 TYR 7 -0.992 -6.616 1.949
54 HE1 TYR 7 HE1 TYR 7 3.498 -7.872 0.254
55 HE2 TYR 7 HE2 TYR 7 0.814 -7.190 3.543
56 HH TYR 7 HH TYR 7 2.958 -8.376 3.600
57 H GLY 8 H GLY 8 -0.184 -2.685 -1.801
58 1HA GLY 8 1HA GLY 8 0.957 -3.370 -4.403
59 2HA GLY 8 2HA GLY 8 0.988 -1.747 -3.630
60 H PHE 9 H PHE 9 2.244 -4.918 -3.456
61 HA PHE 9 HA PHE 9 3.523 -5.544 -1.374
62 1HB PHE 9 1HB PHE 9 5.521 -6.256 -2.807
63 2HB PHE 9 2HB PHE 9 3.927 -6.727 -3.395
64 HD1 PHE 9 HD1 PHE 9 3.246 -6.134 -5.570
65 HD2 PHE 9 HD2 PHE 9 6.474 -3.992 -3.712
66 HE1 PHE 9 HE1 PHE 9 3.694 -4.954 -7.703
67 HE2 PHE 9 HE2 PHE 9 6.918 -2.809 -5.843
68 HZ PHE 9 HZ PHE 9 5.534 -3.298 -7.843
69 H ARG 10 H ARG 10 3.391 -2.772 -1.097
70 HA ARG 10 HA ARG 10 6.230 -2.253 -0.348
71 1HB ARG 10 1HB ARG 10 4.360 -0.274 -1.612
72 2HB ARG 10 2HB ARG 10 6.016 0.051 -1.105
73 1HG ARG 10 1HG ARG 10 6.468 -2.114 -2.627
74 2HG ARG 10 2HG ARG 10 5.028 -1.512 -3.444
75 1HD ARG 10 1HD ARG 10 6.703 -0.337 -4.580
76 2HD ARG 10 2HD ARG 10 6.329 0.809 -3.279
77 HE ARG 10 HE ARG 10 8.376 -1.201 -2.607
78 1HH1 ARG 10 1HH1 ARG 10 7.712 1.852 -1.863
79 2HH1 ARG 10 2HH1 ARG 10 9.220 2.560 -2.336
80 1HH2 ARG 10 1HH2 ARG 10 10.309 -0.249 -4.050
81 2HH2 ARG 10 2HH2 ARG 10 10.689 1.373 -3.573
82 H GLY 11 H GLY 11 6.534 -1.829 1.760
83 1HA GLY 11 1HA GLY 11 4.519 -1.692 3.741
84 2HA GLY 11 2HA GLY 11 6.143 -1.044 3.950
85 HA PRO 12 HA PRO 12 6.002 3.360 2.650
86 1HB PRO 12 1HB PRO 12 3.557 2.149 1.309
87 2HB PRO 12 2HB PRO 12 4.469 3.597 0.836
88 1HG PRO 12 1HG PRO 12 5.024 1.118 -0.093
89 2HG PRO 12 2HG PRO 12 6.209 2.421 0.002
90 1HD PRO 12 1HD PRO 12 6.322 -0.010 1.392
91 2HD PRO 12 2HD PRO 12 7.310 1.414 1.703
92 H GLY 13 H GLY 13 2.523 2.673 2.725
93 1HA GLY 13 1HA GLY 13 0.914 3.305 4.386
94 2HA GLY 13 2HA GLY 13 2.236 3.778 5.467
95 H LEU 14 H LEU 14 2.555 4.745 2.270
96 HA LEU 14 HA LEU 14 2.123 7.617 2.894
97 1HB LEU 14 1HB LEU 14 3.361 7.659 0.558
98 2HB LEU 14 2HB LEU 14 4.276 7.222 1.998
99 HG LEU 14 HG LEU 14 3.962 4.846 1.507
100 1HD1 LEU 14 1HD1 LEU 14 1.794 4.855 0.409
101 2HD1 LEU 14 2HD1 LEU 14 2.969 4.181 -0.720
102 3HD1 LEU 14 3HD1 LEU 14 2.425 5.847 -0.906
103 1HD2 LEU 14 1HD2 LEU 14 5.029 6.512 -0.769
104 2HD2 LEU 14 2HD2 LEU 14 5.196 4.757 -0.706
105 3HD2 LEU 14 3HD2 LEU 14 5.939 5.760 0.542
106 H CYS 15 H CYS 15 -0.315 6.524 2.650
107 HA CYS 15 HA CYS 15 -1.257 5.977 0.011
108 1HB CYS 15 1HB CYS 15 -2.890 7.058 2.317
109 2HB CYS 15 2HB CYS 15 -3.368 5.882 1.106
110 HXT CYS 15 HXT CYS 15 -1.472 7.519 -1.611
Start of MODEL 8
1 H CYS 1 H CYS 1 -2.510 -0.040 0.601
2 HA CYS 1 HA CYS 1 -1.606 2.208 0.013
3 1HB CYS 1 1HB CYS 1 -2.985 3.678 -1.001
4 2HB CYS 1 2HB CYS 1 -4.058 2.309 -1.227
5 H PHE 2 H PHE 2 -2.425 0.447 2.266
6 HA PHE 2 HA PHE 2 -2.385 2.449 4.425
7 1HB PHE 2 1HB PHE 2 -4.559 1.002 3.938
8 2HB PHE 2 2HB PHE 2 -3.648 -0.194 4.862
9 HD1 PHE 2 HD1 PHE 2 -2.600 0.596 7.096
10 HD2 PHE 2 HD2 PHE 2 -5.753 2.664 5.051
11 HE1 PHE 2 HE1 PHE 2 -3.179 1.778 9.195
12 HE2 PHE 2 HE2 PHE 2 -6.342 3.846 7.147
13 HZ PHE 2 HZ PHE 2 -5.054 3.401 9.220
14 H ARG 3 H ARG 3 -2.090 -0.969 4.076
15 HA ARG 3 HA ARG 3 0.419 -1.145 5.626
16 1HB ARG 3 1HB ARG 3 -1.642 -2.768 5.586
17 2HB ARG 3 2HB ARG 3 -1.129 -3.214 3.965
18 1HG ARG 3 1HG ARG 3 1.145 -3.338 5.731
19 2HG ARG 3 2HG ARG 3 -0.188 -4.242 6.450
20 1HD ARG 3 1HD ARG 3 1.397 -5.482 4.762
21 2HD ARG 3 2HD ARG 3 -0.352 -5.719 4.620
22 HE ARG 3 HE ARG 3 0.702 -3.434 3.064
23 1HH1 ARG 3 1HH1 ARG 3 1.946 -5.967 1.937
24 2HH1 ARG 3 2HH1 ARG 3 0.740 -6.507 0.817
25 1HH2 ARG 3 1HH2 ARG 3 -1.796 -4.569 2.146
26 2HH2 ARG 3 2HH2 ARG 3 -1.355 -5.725 0.930
27 H ALA 4 H ALA 4 1.248 0.344 4.309
28 HA ALA 4 HA ALA 4 0.995 1.448 2.082
29 1HB ALA 4 1HB ALA 4 3.593 0.240 2.974
30 2HB ALA 4 2HB ALA 4 3.167 1.949 2.783
31 3HB ALA 4 3HB ALA 4 3.520 0.950 1.373
32 H ARG 5 H ARG 5 -0.505 0.059 1.549
33 HA ARG 5 HA ARG 5 0.186 -2.124 -0.345
34 1HB ARG 5 1HB ARG 5 -1.217 -2.903 1.325
35 2HB ARG 5 2HB ARG 5 -1.848 -1.303 1.677
36 1HG ARG 5 1HG ARG 5 -3.200 -1.513 -0.472
37 2HG ARG 5 2HG ARG 5 -2.699 -3.209 -0.509
38 1HD ARG 5 1HD ARG 5 -3.516 -3.258 1.986
39 2HD ARG 5 2HD ARG 5 -4.439 -1.814 1.530
40 HE ARG 5 HE ARG 5 -4.640 -4.272 -0.142
41 1HH1 ARG 5 1HH1 ARG 5 -6.258 -4.270 2.433
42 2HH1 ARG 5 2HH1 ARG 5 -7.770 -3.629 1.886
43 1HH2 ARG 5 1HH2 ARG 5 -6.463 -2.379 -1.076
44 2HH2 ARG 5 2HH2 ARG 5 -7.886 -2.558 -0.104
45 H GLY 6 H GLY 6 0.547 0.825 -0.755
46 1HA GLY 6 1HA GLY 6 -1.414 2.099 -2.329
47 2HA GLY 6 2HA GLY 6 0.328 2.191 -2.674
48 H TYR 7 H TYR 7 0.813 -0.521 -2.872
49 HA TYR 7 HA TYR 7 -0.742 -1.362 -5.229
50 1HB TYR 7 1HB TYR 7 1.640 -2.843 -5.241
51 2HB TYR 7 2HB TYR 7 1.243 -1.545 -6.350
52 HD1 TYR 7 HD1 TYR 7 2.846 0.164 -6.543
53 HD2 TYR 7 HD2 TYR 7 2.570 -2.006 -2.931
54 HE1 TYR 7 HE1 TYR 7 4.851 1.355 -5.669
55 HE2 TYR 7 HE2 TYR 7 4.517 -0.832 -1.996
56 HH TYR 7 HH TYR 7 5.931 1.891 -3.598
57 H GLY 8 H GLY 8 0.466 -2.084 -2.137
58 1HA GLY 8 1HA GLY 8 -0.803 -3.683 -0.661
59 2HA GLY 8 2HA GLY 8 -0.895 -4.758 -2.062
60 H PHE 9 H PHE 9 1.822 -2.891 -1.075
61 HA PHE 9 HA PHE 9 3.493 -5.155 -0.215
62 1HB PHE 9 1HB PHE 9 4.419 -2.952 -2.124
63 2HB PHE 9 2HB PHE 9 5.284 -4.422 -1.685
64 HD1 PHE 9 HD1 PHE 9 3.083 -6.446 -1.907
65 HD2 PHE 9 HD2 PHE 9 4.137 -3.173 -4.485
66 HE1 PHE 9 HE1 PHE 9 2.028 -7.610 -3.821
67 HE2 PHE 9 HE2 PHE 9 3.079 -4.343 -6.394
68 HZ PHE 9 HZ PHE 9 2.024 -6.555 -6.062
69 H ARG 10 H ARG 10 2.647 -4.017 1.739
70 HA ARG 10 HA ARG 10 2.874 -1.420 2.586
71 1HB ARG 10 1HB ARG 10 3.684 -2.607 4.804
72 2HB ARG 10 2HB ARG 10 2.090 -2.979 4.133
73 1HG ARG 10 1HG ARG 10 2.727 -5.062 3.390
74 2HG ARG 10 2HG ARG 10 4.393 -4.559 3.103
75 1HD ARG 10 1HD ARG 10 4.604 -4.361 5.662
76 2HD ARG 10 2HD ARG 10 3.107 -5.310 5.730
77 HE ARG 10 HE ARG 10 5.432 -6.297 4.131
78 1HH1 ARG 10 1HH1 ARG 10 2.499 -7.238 5.304
79 2HH1 ARG 10 2HH1 ARG 10 3.057 -8.640 6.155
80 1HH2 ARG 10 1HH2 ARG 10 6.413 -7.851 5.795
81 2HH2 ARG 10 2HH2 ARG 10 5.271 -8.986 6.433
82 H GLY 11 H GLY 11 4.644 -0.567 1.253
83 1HA GLY 11 1HA GLY 11 7.287 -0.740 2.621
84 2HA GLY 11 2HA GLY 11 7.182 -0.678 0.853
85 HA PRO 12 HA PRO 12 6.487 3.691 0.827
86 1HB PRO 12 1HB PRO 12 3.601 3.210 0.081
87 2HB PRO 12 2HB PRO 12 4.759 4.352 -0.637
88 1HG PRO 12 1HG PRO 12 4.226 2.053 -1.828
89 2HG PRO 12 2HG PRO 12 5.873 2.702 -1.790
90 1HD PRO 12 1HD PRO 12 4.746 0.385 -0.353
91 2HD PRO 12 2HD PRO 12 6.429 0.733 -0.801
92 H GLY 13 H GLY 13 3.687 4.844 1.341
93 1HA GLY 13 1HA GLY 13 3.598 4.367 4.289
94 2HA GLY 13 2HA GLY 13 3.261 5.942 3.548
95 H LEU 14 H LEU 14 1.165 6.358 3.010
96 HA LEU 14 HA LEU 14 -0.652 4.003 2.803
97 1HB LEU 14 1HB LEU 14 -1.293 6.805 3.740
98 2HB LEU 14 2HB LEU 14 -2.417 5.456 3.679
99 HG LEU 14 HG LEU 14 -0.249 6.024 5.639
100 1HD1 LEU 14 1HD1 LEU 14 -1.890 5.318 7.185
101 2HD1 LEU 14 2HD1 LEU 14 -2.758 4.382 5.967
102 3HD1 LEU 14 3HD1 LEU 14 -2.813 6.145 5.931
103 1HD2 LEU 14 1HD2 LEU 14 0.746 3.994 5.307
104 2HD2 LEU 14 2HD2 LEU 14 -0.611 3.362 4.380
105 3HD2 LEU 14 3HD2 LEU 14 -0.674 3.366 6.140
106 H CYS 15 H CYS 15 -2.826 5.695 1.858
107 HA CYS 15 HA CYS 15 -2.556 5.427 -0.938
108 1HB CYS 15 1HB CYS 15 -4.283 6.770 1.031
109 2HB CYS 15 2HB CYS 15 -4.287 7.568 -0.534
110 HXT CYS 15 HXT CYS 15 -1.387 6.681 -2.453
Start of MODEL 9
1 H CYS 1 H CYS 1 -1.270 2.835 0.882
2 HA CYS 1 HA CYS 1 -3.521 3.554 1.540
3 1HB CYS 1 1HB CYS 1 -3.466 4.263 -1.142
4 2HB CYS 1 2HB CYS 1 -4.680 3.004 -1.098
5 H PHE 2 H PHE 2 -2.043 1.025 1.078
6 HA PHE 2 HA PHE 2 -4.352 -0.797 1.288
7 1HB PHE 2 1HB PHE 2 -2.711 -0.839 -0.797
8 2HB PHE 2 2HB PHE 2 -1.771 -1.842 0.297
9 HD1 PHE 2 HD1 PHE 2 -3.393 -3.536 1.717
10 HD2 PHE 2 HD2 PHE 2 -4.139 -1.996 -2.222
11 HE1 PHE 2 HE1 PHE 2 -4.881 -5.461 1.246
12 HE2 PHE 2 HE2 PHE 2 -5.628 -3.921 -2.695
13 HZ PHE 2 HZ PHE 2 -6.001 -5.654 -0.959
14 H ARG 3 H ARG 3 -1.033 -1.427 1.688
15 HA ARG 3 HA ARG 3 -1.494 -1.834 4.577
16 1HB ARG 3 1HB ARG 3 -0.850 -3.870 3.547
17 2HB ARG 3 2HB ARG 3 0.200 -3.048 2.404
18 1HG ARG 3 1HG ARG 3 1.454 -4.309 4.175
19 2HG ARG 3 2HG ARG 3 1.826 -2.586 4.159
20 1HD ARG 3 1HD ARG 3 -0.463 -3.164 5.879
21 2HD ARG 3 2HD ARG 3 0.990 -4.048 6.389
22 HE ARG 3 HE ARG 3 1.657 -1.333 5.677
23 1HH1 ARG 3 1HH1 ARG 3 2.668 -2.881 8.080
24 2HH1 ARG 3 2HH1 ARG 3 1.960 -1.985 9.382
25 1HH2 ARG 3 1HH2 ARG 3 -0.331 -0.349 7.360
26 2HH2 ARG 3 2HH2 ARG 3 0.263 -0.552 8.974
27 H ALA 4 H ALA 4 1.149 -1.292 2.460
28 HA ALA 4 HA ALA 4 1.392 1.507 3.286
29 1HB ALA 4 1HB ALA 4 3.069 -0.640 4.316
30 2HB ALA 4 2HB ALA 4 3.086 1.056 4.771
31 3HB ALA 4 3HB ALA 4 4.055 0.512 3.405
32 H ARG 5 H ARG 5 0.549 0.322 0.867
33 HA ARG 5 HA ARG 5 2.690 1.477 -0.868
34 1HB ARG 5 1HB ARG 5 2.379 -1.292 -0.411
35 2HB ARG 5 2HB ARG 5 1.799 -0.993 -2.042
36 1HG ARG 5 1HG ARG 5 4.469 -0.075 -0.955
37 2HG ARG 5 2HG ARG 5 4.236 -1.455 -2.023
38 1HD ARG 5 1HD ARG 5 3.004 0.370 -3.541
39 2HD ARG 5 2HD ARG 5 4.062 1.471 -2.643
40 HE ARG 5 HE ARG 5 5.966 -0.080 -3.331
41 1HH1 ARG 5 1HH1 ARG 5 3.915 1.346 -5.471
42 2HH1 ARG 5 2HH1 ARG 5 4.194 0.253 -6.786
43 1HH2 ARG 5 1HH2 ARG 5 5.950 -2.036 -4.869
44 2HH2 ARG 5 2HH2 ARG 5 5.342 -1.655 -6.446
45 H GLY 6 H GLY 6 -0.517 1.279 -0.131
46 1HA GLY 6 1HA GLY 6 -2.438 1.901 -1.480
47 2HA GLY 6 2HA GLY 6 -1.333 2.171 -2.844
48 H TYR 7 H TYR 7 -0.005 -0.393 -2.164
49 HA TYR 7 HA TYR 7 -1.868 -2.447 -3.162
50 1HB TYR 7 1HB TYR 7 -0.435 -2.558 -4.953
51 2HB TYR 7 2HB TYR 7 0.496 -1.228 -4.285
52 HD1 TYR 7 HD1 TYR 7 0.051 -4.934 -3.840
53 HD2 TYR 7 HD2 TYR 7 2.723 -1.577 -3.801
54 HE1 TYR 7 HE1 TYR 7 1.968 -6.462 -3.479
55 HE2 TYR 7 HE2 TYR 7 4.644 -3.096 -3.432
56 HH TYR 7 HH TYR 7 4.788 -5.644 -2.314
57 H GLY 8 H GLY 8 -2.126 -3.697 -1.469
58 1HA GLY 8 1HA GLY 8 -1.356 -3.620 1.078
59 2HA GLY 8 2HA GLY 8 -1.734 -5.157 0.348
60 H PHE 9 H PHE 9 1.164 -4.379 -1.090
61 HA PHE 9 HA PHE 9 2.680 -5.374 1.207
62 1HB PHE 9 1HB PHE 9 2.557 -6.459 -1.590
63 2HB PHE 9 2HB PHE 9 3.991 -6.727 -0.577
64 HD1 PHE 9 HD1 PHE 9 3.781 -7.790 1.674
65 HD2 PHE 9 HD2 PHE 9 0.385 -7.418 -0.943
66 HE1 PHE 9 HE1 PHE 9 2.463 -9.276 3.167
67 HE2 PHE 9 HE2 PHE 9 -0.917 -8.925 0.543
68 HZ PHE 9 HZ PHE 9 0.118 -9.844 2.600
69 H ARG 10 H ARG 10 2.840 -3.411 1.547
70 HA ARG 10 HA ARG 10 3.505 -1.065 0.720
71 1HB ARG 10 1HB ARG 10 4.929 -1.091 2.845
72 2HB ARG 10 2HB ARG 10 3.266 -1.699 2.941
73 1HG ARG 10 1HG ARG 10 3.911 -3.869 3.195
74 2HG ARG 10 2HG ARG 10 5.271 -3.699 2.093
75 1HD ARG 10 1HD ARG 10 6.615 -2.618 3.833
76 2HD ARG 10 2HD ARG 10 5.240 -2.673 4.957
77 HE ARG 10 HE ARG 10 6.486 -5.140 3.789
78 1HH1 ARG 10 1HH1 ARG 10 7.442 -4.507 6.484
79 2HH1 ARG 10 2HH1 ARG 10 6.312 -5.324 7.513
80 1HH2 ARG 10 1HH2 ARG 10 3.926 -5.719 5.029
81 2HH2 ARG 10 2HH2 ARG 10 4.323 -6.010 6.690
82 H GLY 11 H GLY 11 5.339 0.155 1.179
83 1HA GLY 11 1HA GLY 11 8.095 -0.414 0.944
84 2HA GLY 11 2HA GLY 11 7.482 0.048 -0.657
85 HA PRO 12 HA PRO 12 6.704 4.152 0.924
86 1HB PRO 12 1HB PRO 12 3.807 3.658 0.218
87 2HB PRO 12 2HB PRO 12 4.815 5.073 -0.163
88 1HG PRO 12 1HG PRO 12 4.413 3.065 -1.898
89 2HG PRO 12 2HG PRO 12 5.913 4.000 -1.837
90 1HD PRO 12 1HD PRO 12 5.516 1.212 -1.214
91 2HD PRO 12 2HD PRO 12 7.028 2.133 -1.289
92 H GLY 13 H GLY 13 3.428 2.995 1.838
93 1HA GLY 13 1HA GLY 13 2.751 2.530 4.173
94 2HA GLY 13 2HA GLY 13 4.057 3.582 4.709
95 H LEU 14 H LEU 14 2.124 4.387 1.985
96 HA LEU 14 HA LEU 14 0.825 6.644 3.482
97 1HB LEU 14 1HB LEU 14 0.915 7.606 1.065
98 2HB LEU 14 2HB LEU 14 2.439 7.479 1.939
99 HG LEU 14 HG LEU 14 2.967 5.376 0.803
100 1HD1 LEU 14 1HD1 LEU 14 0.939 4.260 0.434
101 2HD1 LEU 14 2HD1 LEU 14 1.381 4.785 -1.186
102 3HD1 LEU 14 3HD1 LEU 14 0.171 5.685 -0.273
103 1HD2 LEU 14 1HD2 LEU 14 2.039 7.558 -1.072
104 2HD2 LEU 14 2HD2 LEU 14 3.074 6.210 -1.546
105 3HD2 LEU 14 3HD2 LEU 14 3.643 7.382 -0.358
106 H CYS 15 H CYS 15 -1.090 7.463 1.881
107 HA CYS 15 HA CYS 15 -2.616 5.030 1.074
108 1HB CYS 15 1HB CYS 15 -3.349 6.848 2.971
109 2HB CYS 15 2HB CYS 15 -4.116 7.534 1.532
110 HXT CYS 15 HXT CYS 15 -2.968 8.517 0.285
Start of MODEL 10
1 H CYS 1 H CYS 1 -0.485 2.345 3.674
2 HA CYS 1 HA CYS 1 0.061 3.643 1.291
3 1HB CYS 1 1HB CYS 1 0.165 0.729 0.632
4 2HB CYS 1 2HB CYS 1 0.876 2.088 -0.231
5 H PHE 2 H PHE 2 -1.555 0.798 0.406
6 HA PHE 2 HA PHE 2 -4.145 2.063 0.445
7 1HB PHE 2 1HB PHE 2 -3.283 0.162 -1.059
8 2HB PHE 2 2HB PHE 2 -3.505 -0.869 0.350
9 HD1 PHE 2 HD1 PHE 2 -5.120 0.816 -2.411
10 HD2 PHE 2 HD2 PHE 2 -5.797 -1.092 1.374
11 HE1 PHE 2 HE1 PHE 2 -7.523 0.572 -2.968
12 HE2 PHE 2 HE2 PHE 2 -8.201 -1.337 0.822
13 HZ PHE 2 HZ PHE 2 -9.066 -0.506 -1.350
14 H ARG 3 H ARG 3 -3.187 -0.831 1.997
15 HA ARG 3 HA ARG 3 -4.105 0.264 4.581
16 1HB ARG 3 1HB ARG 3 -4.269 -2.151 3.327
17 2HB ARG 3 2HB ARG 3 -2.693 -2.378 4.056
18 1HG ARG 3 1HG ARG 3 -5.077 -1.510 5.706
19 2HG ARG 3 2HG ARG 3 -4.726 -3.210 5.391
20 1HD ARG 3 1HD ARG 3 -2.706 -1.286 6.595
21 2HD ARG 3 2HD ARG 3 -3.707 -2.399 7.550
22 HE ARG 3 HE ARG 3 -1.515 -3.177 5.732
23 1HH1 ARG 3 1HH1 ARG 3 -1.987 -4.297 8.498
24 2HH1 ARG 3 2HH1 ARG 3 -2.602 -5.875 8.138
25 1HH2 ARG 3 1HH2 ARG 3 -3.316 -5.135 4.824
26 2HH2 ARG 3 2HH2 ARG 3 -3.355 -6.350 6.059
27 H ALA 4 H ALA 4 -1.698 -1.540 3.465
28 HA ALA 4 HA ALA 4 0.386 0.194 2.613
29 1HB ALA 4 1HB ALA 4 0.466 -0.739 5.311
30 2HB ALA 4 2HB ALA 4 1.919 -0.530 4.344
31 3HB ALA 4 3HB ALA 4 1.133 -2.110 4.428
32 H ARG 5 H ARG 5 -1.584 -0.760 1.317
33 HA ARG 5 HA ARG 5 -0.836 -3.559 0.497
34 1HB ARG 5 1HB ARG 5 -2.509 -3.507 2.275
35 2HB ARG 5 2HB ARG 5 -3.534 -2.480 1.279
36 1HG ARG 5 1HG ARG 5 -2.762 -4.754 -0.291
37 2HG ARG 5 2HG ARG 5 -3.341 -5.329 1.270
38 1HD ARG 5 1HD ARG 5 -4.970 -3.217 -0.098
39 2HD ARG 5 2HD ARG 5 -5.061 -4.878 -0.720
40 HE ARG 5 HE ARG 5 -5.260 -4.642 2.209
41 1HH1 ARG 5 1HH1 ARG 5 -6.389 -6.963 0.809
42 2HH1 ARG 5 2HH1 ARG 5 -8.080 -6.598 0.728
43 1HH2 ARG 5 1HH2 ARG 5 -7.635 -3.213 1.385
44 2HH2 ARG 5 2HH2 ARG 5 -8.790 -4.461 1.056
45 H GLY 6 H GLY 6 -0.715 -0.767 -0.805
46 1HA GLY 6 1HA GLY 6 -2.650 -1.365 -3.072
47 2HA GLY 6 2HA GLY 6 -1.993 0.230 -2.740
48 H TYR 7 H TYR 7 0.690 -0.987 -2.345
49 HA TYR 7 HA TYR 7 1.536 -1.557 -5.168
50 1HB TYR 7 1HB TYR 7 3.203 -0.314 -2.997
51 2HB TYR 7 2HB TYR 7 3.334 -0.041 -4.731
52 HD1 TYR 7 HD1 TYR 7 0.939 0.501 -1.872
53 HD2 TYR 7 HD2 TYR 7 2.574 2.040 -5.539
54 HE1 TYR 7 HE1 TYR 7 -0.383 2.573 -1.581
55 HE2 TYR 7 HE2 TYR 7 1.248 4.113 -5.239
56 HH TYR 7 HH TYR 7 0.220 5.366 -3.227
57 H GLY 8 H GLY 8 4.082 -1.749 -3.402
58 1HA GLY 8 1HA GLY 8 3.973 -4.530 -2.620
59 2HA GLY 8 2HA GLY 8 5.190 -3.333 -2.041
60 H PHE 9 H PHE 9 2.432 -4.817 -1.125
61 HA PHE 9 HA PHE 9 0.646 -3.121 -0.288
62 1HB PHE 9 1HB PHE 9 1.723 -5.169 1.639
63 2HB PHE 9 2HB PHE 9 0.049 -4.658 1.456
64 HD1 PHE 9 HD1 PHE 9 -0.793 -4.884 -1.164
65 HD2 PHE 9 HD2 PHE 9 2.224 -7.277 0.748
66 HE1 PHE 9 HE1 PHE 9 -1.143 -6.684 -2.839
67 HE2 PHE 9 HE2 PHE 9 1.868 -9.072 -0.931
68 HZ PHE 9 HZ PHE 9 0.194 -8.770 -2.730
69 H ARG 10 H ARG 10 2.946 -3.950 2.065
70 HA ARG 10 HA ARG 10 2.537 -1.294 3.227
71 1HB ARG 10 1HB ARG 10 3.972 -2.278 5.043
72 2HB ARG 10 2HB ARG 10 2.515 -3.195 4.633
73 1HG ARG 10 1HG ARG 10 3.710 -4.927 3.687
74 2HG ARG 10 2HG ARG 10 5.009 -3.868 3.136
75 1HD ARG 10 1HD ARG 10 5.796 -3.624 5.488
76 2HD ARG 10 2HD ARG 10 4.544 -4.774 6.005
77 HE ARG 10 HE ARG 10 6.679 -5.468 4.013
78 1HH1 ARG 10 1HH1 ARG 10 4.267 -7.269 4.280
79 2HH1 ARG 10 2HH1 ARG 10 4.851 -8.470 5.383
80 1HH2 ARG 10 1HH2 ARG 10 7.571 -6.597 6.416
81 2HH2 ARG 10 2HH2 ARG 10 6.711 -8.091 6.586
82 H GLY 11 H GLY 11 3.946 0.390 3.306
83 1HA GLY 11 1HA GLY 11 6.284 1.209 3.468
84 2HA GLY 11 2HA GLY 11 6.706 0.064 2.205
85 HA PRO 12 HA PRO 12 5.936 2.472 -1.279
86 1HB PRO 12 1HB PRO 12 3.136 1.338 -1.263
87 2HB PRO 12 2HB PRO 12 4.160 1.756 -2.686
88 1HG PRO 12 1HG PRO 12 4.186 -0.701 -1.684
89 2HG PRO 12 2HG PRO 12 5.678 0.050 -2.248
90 1HD PRO 12 1HD PRO 12 4.908 -0.668 0.455
91 2HD PRO 12 2HD PRO 12 6.489 -0.147 -0.153
92 H GLY 13 H GLY 13 2.589 3.143 -1.326
93 1HA GLY 13 1HA GLY 13 3.155 5.984 -1.235
94 2HA GLY 13 2HA GLY 13 1.645 5.232 -1.685
95 H LEU 14 H LEU 14 0.035 4.940 -0.079
96 HA LEU 14 HA LEU 14 0.115 7.012 1.976
97 1HB LEU 14 1HB LEU 14 -2.096 5.009 1.991
98 2HB LEU 14 2HB LEU 14 -2.182 6.752 2.085
99 HG LEU 14 HG LEU 14 -1.438 6.620 -0.461
100 1HD1 LEU 14 1HD1 LEU 14 -1.185 4.078 -0.278
101 2HD1 LEU 14 2HD1 LEU 14 -2.203 4.648 -1.596
102 3HD1 LEU 14 3HD1 LEU 14 -2.940 4.010 -0.128
103 1HD2 LEU 14 1HD2 LEU 14 -3.858 6.525 -1.071
104 2HD2 LEU 14 2HD2 LEU 14 -3.586 7.536 0.350
105 3HD2 LEU 14 3HD2 LEU 14 -4.218 5.901 0.540
106 H CYS 15 H CYS 15 2.100 5.353 2.672
107 HA CYS 15 HA CYS 15 1.006 3.587 4.794
108 1HB CYS 15 1HB CYS 15 3.907 3.572 4.295
109 2HB CYS 15 2HB CYS 15 2.770 2.227 4.302
110 HXT CYS 15 HXT CYS 15 2.649 3.723 6.876
Start of MODEL 11
1 H CYS 1 H CYS 1 -3.752 4.138 0.930
2 HA CYS 1 HA CYS 1 -4.403 1.750 -0.473
3 1HB CYS 1 1HB CYS 1 -2.151 1.232 0.089
4 2HB CYS 1 2HB CYS 1 -2.232 2.966 -0.191
5 H PHE 2 H PHE 2 -3.109 -0.119 1.192
6 HA PHE 2 HA PHE 2 -5.133 -0.753 3.225
7 1HB PHE 2 1HB PHE 2 -2.963 -2.299 1.876
8 2HB PHE 2 2HB PHE 2 -3.846 -2.946 3.242
9 HD1 PHE 2 HD1 PHE 2 -5.453 -4.476 2.637
10 HD2 PHE 2 HD2 PHE 2 -4.823 -1.042 0.135
11 HE1 PHE 2 HE1 PHE 2 -7.287 -5.223 1.150
12 HE2 PHE 2 HE2 PHE 2 -6.653 -1.791 -1.354
13 HZ PHE 2 HZ PHE 2 -7.886 -3.883 -0.847
14 H ARG 3 H ARG 3 -2.059 -2.041 3.702
15 HA ARG 3 HA ARG 3 -1.695 -0.506 6.169
16 1HB ARG 3 1HB ARG 3 -0.421 -2.647 4.533
17 2HB ARG 3 2HB ARG 3 0.657 -1.749 5.598
18 1HG ARG 3 1HG ARG 3 -0.133 -2.810 7.450
19 2HG ARG 3 2HG ARG 3 -1.809 -2.607 6.938
20 1HD ARG 3 1HD ARG 3 0.102 -4.720 5.862
21 2HD ARG 3 2HD ARG 3 -1.237 -5.014 6.993
22 HE ARG 3 HE ARG 3 -1.606 -3.972 4.207
23 1HH1 ARG 3 1HH1 ARG 3 -3.857 -3.413 6.085
24 2HH1 ARG 3 2HH1 ARG 3 -4.874 -4.800 5.873
25 1HH2 ARG 3 1HH2 ARG 3 -2.400 -6.705 4.353
26 2HH2 ARG 3 2HH2 ARG 3 -4.046 -6.669 4.890
27 H ALA 4 H ALA 4 0.222 -1.154 3.484
28 HA ALA 4 HA ALA 4 0.355 1.662 2.517
29 1HB ALA 4 1HB ALA 4 2.892 0.452 2.068
30 2HB ALA 4 2HB ALA 4 2.530 0.144 3.764
31 3HB ALA 4 3HB ALA 4 2.569 1.793 3.154
32 H ARG 5 H ARG 5 -1.414 -0.153 1.542
33 HA ARG 5 HA ARG 5 -0.050 -1.817 -0.449
34 1HB ARG 5 1HB ARG 5 -2.083 -2.633 0.609
35 2HB ARG 5 2HB ARG 5 -2.980 -1.220 0.063
36 1HG ARG 5 1HG ARG 5 -3.345 -2.126 -1.965
37 2HG ARG 5 2HG ARG 5 -1.641 -2.526 -2.157
38 1HD ARG 5 1HD ARG 5 -2.021 -4.548 -0.692
39 2HD ARG 5 2HD ARG 5 -3.756 -4.191 -0.754
40 HE ARG 5 HE ARG 5 -3.133 -4.107 -3.392
41 1HH1 ARG 5 1HH1 ARG 5 -3.752 -6.549 -1.266
42 2HH1 ARG 5 2HH1 ARG 5 -2.968 -7.804 -2.164
43 1HH2 ARG 5 1HH2 ARG 5 -1.472 -5.623 -4.408
44 2HH2 ARG 5 2HH2 ARG 5 -1.675 -7.279 -3.945
45 H GLY 6 H GLY 6 0.582 0.986 -0.811
46 1HA GLY 6 1HA GLY 6 -0.983 2.184 -2.891
47 2HA GLY 6 2HA GLY 6 0.785 2.356 -2.763
48 H TYR 7 H TYR 7 1.266 -0.445 -2.576
49 HA TYR 7 HA TYR 7 0.598 -1.463 -5.290
50 1HB TYR 7 1HB TYR 7 2.960 -2.524 -3.838
51 2HB TYR 7 2HB TYR 7 2.766 -2.243 -5.556
52 HD1 TYR 7 HD1 TYR 7 2.003 0.735 -5.438
53 HD2 TYR 7 HD2 TYR 7 5.038 -1.552 -3.433
54 HE1 TYR 7 HE1 TYR 7 3.418 2.769 -5.244
55 HE2 TYR 7 HE2 TYR 7 6.438 0.474 -3.235
56 HH TYR 7 HH TYR 7 5.395 3.458 -3.462
57 H GLY 8 H GLY 8 1.246 -2.174 -1.969
58 1HA GLY 8 1HA GLY 8 -0.479 -3.666 -0.830
59 2HA GLY 8 2HA GLY 8 -0.200 -4.789 -2.164
60 H PHE 9 H PHE 9 2.631 -3.268 -1.323
61 HA PHE 9 HA PHE 9 3.616 -5.433 0.453
62 1HB PHE 9 1HB PHE 9 5.506 -3.795 -1.195
63 2HB PHE 9 2HB PHE 9 5.519 -5.529 -0.889
64 HD1 PHE 9 HD1 PHE 9 2.963 -6.496 -1.849
65 HD2 PHE 9 HD2 PHE 9 5.487 -3.445 -3.519
66 HE1 PHE 9 HE1 PHE 9 1.971 -6.896 -4.085
67 HE2 PHE 9 HE2 PHE 9 4.490 -3.848 -5.754
68 HZ PHE 9 HZ PHE 9 2.734 -5.573 -6.036
69 H ARG 10 H ARG 10 2.647 -3.985 1.988
70 HA ARG 10 HA ARG 10 2.842 -1.318 2.388
71 1HB ARG 10 1HB ARG 10 3.211 -2.131 4.942
72 2HB ARG 10 2HB ARG 10 1.685 -2.284 4.079
73 1HG ARG 10 1HG ARG 10 1.992 -4.555 3.651
74 2HG ARG 10 2HG ARG 10 3.740 -4.459 3.865
75 1HD ARG 10 1HD ARG 10 1.994 -3.766 6.214
76 2HD ARG 10 2HD ARG 10 2.235 -5.478 5.815
77 HE ARG 10 HE ARG 10 4.779 -4.684 5.720
78 1HH1 ARG 10 1HH1 ARG 10 3.690 -5.762 8.330
79 2HH1 ARG 10 2HH1 ARG 10 4.157 -4.519 9.441
80 1HH2 ARG 10 1HH2 ARG 10 4.788 -2.172 6.968
81 2HH2 ARG 10 2HH2 ARG 10 4.778 -2.489 8.671
82 H GLY 11 H GLY 11 4.557 -0.283 1.757
83 1HA GLY 11 1HA GLY 11 6.827 0.084 3.503
84 2HA GLY 11 2HA GLY 11 7.286 -0.696 1.978
85 HA PRO 12 HA PRO 12 6.717 2.352 -1.273
86 1HB PRO 12 1HB PRO 12 3.855 2.617 -0.462
87 2HB PRO 12 2HB PRO 12 4.550 2.300 -2.065
88 1HG PRO 12 1HG PRO 12 3.587 0.429 -0.097
89 2HG PRO 12 2HG PRO 12 4.141 0.107 -1.740
90 1HD PRO 12 1HD PRO 12 5.493 -0.793 0.382
91 2HD PRO 12 2HD PRO 12 6.332 -0.241 -1.075
92 H GLY 13 H GLY 13 4.565 3.053 1.396
93 1HA GLY 13 1HA GLY 13 5.051 5.179 2.814
94 2HA GLY 13 2HA GLY 13 5.088 5.983 1.211
95 H LEU 14 H LEU 14 3.164 4.142 3.416
96 HA LEU 14 HA LEU 14 1.138 3.261 1.857
97 1HB LEU 14 1HB LEU 14 -0.092 3.031 3.884
98 2HB LEU 14 2HB LEU 14 1.604 2.778 4.210
99 HG LEU 14 HG LEU 14 1.516 5.389 4.742
100 1HD1 LEU 14 1HD1 LEU 14 -0.675 6.029 4.446
101 2HD1 LEU 14 2HD1 LEU 14 -0.818 5.422 6.098
102 3HD1 LEU 14 3HD1 LEU 14 -1.292 4.404 4.738
103 1HD2 LEU 14 1HD2 LEU 14 0.702 3.028 6.449
104 2HD2 LEU 14 2HD2 LEU 14 0.918 4.636 7.142
105 3HD2 LEU 14 3HD2 LEU 14 2.277 3.816 6.369
106 H CYS 15 H CYS 15 -1.174 3.955 2.810
107 HA CYS 15 HA CYS 15 -2.563 5.295 1.006
108 1HB CYS 15 1HB CYS 15 -2.973 5.638 3.990
109 2HB CYS 15 2HB CYS 15 -4.216 5.611 2.747
110 HXT CYS 15 HXT CYS 15 -3.227 7.523 0.591
Start of MODEL 12
1 H CYS 1 H CYS 1 -0.197 2.590 -1.049
2 HA CYS 1 HA CYS 1 -2.046 4.688 -0.127
3 1HB CYS 1 1HB CYS 1 -3.070 2.693 -1.742
4 2HB CYS 1 2HB CYS 1 -3.411 2.088 -0.139
5 H PHE 2 H PHE 2 -3.275 2.502 1.643
6 HA PHE 2 HA PHE 2 -2.115 2.995 4.023
7 1HB PHE 2 1HB PHE 2 -2.958 0.251 3.193
8 2HB PHE 2 2HB PHE 2 -2.950 0.858 4.841
9 HD1 PHE 2 HD1 PHE 2 -3.944 3.695 4.118
10 HD2 PHE 2 HD2 PHE 2 -5.339 -0.236 3.076
11 HE1 PHE 2 HE1 PHE 2 -6.242 4.582 3.823
12 HE2 PHE 2 HE2 PHE 2 -7.634 0.659 2.778
13 HZ PHE 2 HZ PHE 2 -8.085 3.065 3.154
14 H ARG 3 H ARG 3 -1.117 0.229 4.955
15 HA ARG 3 HA ARG 3 1.584 0.837 5.143
16 1HB ARG 3 1HB ARG 3 -0.005 -1.669 4.751
17 2HB ARG 3 2HB ARG 3 1.742 -1.844 4.586
18 1HG ARG 3 1HG ARG 3 1.741 -2.130 6.833
19 2HG ARG 3 2HG ARG 3 1.402 -0.403 6.956
20 1HD ARG 3 1HD ARG 3 -0.276 -1.748 8.220
21 2HD ARG 3 2HD ARG 3 -1.044 -0.896 6.867
22 HE ARG 3 HE ARG 3 -0.921 -3.028 5.585
23 1HH1 ARG 3 1HH1 ARG 3 -2.385 -3.350 8.341
24 2HH1 ARG 3 2HH1 ARG 3 -1.817 -4.925 8.783
25 1HH2 ARG 3 1HH2 ARG 3 0.717 -4.972 6.418
26 2HH2 ARG 3 2HH2 ARG 3 -0.065 -5.842 7.697
27 H ALA 4 H ALA 4 0.019 -1.095 3.065
28 HA ALA 4 HA ALA 4 1.548 -0.480 0.681
29 1HB ALA 4 1HB ALA 4 2.121 -2.620 1.810
30 2HB ALA 4 2HB ALA 4 1.156 -2.980 0.363
31 3HB ALA 4 3HB ALA 4 0.414 -2.963 1.943
32 H ARG 5 H ARG 5 -1.217 0.644 1.442
33 HA ARG 5 HA ARG 5 -2.664 -1.434 0.031
34 1HB ARG 5 1HB ARG 5 -3.916 -0.537 1.767
35 2HB ARG 5 2HB ARG 5 -3.624 1.118 1.301
36 1HG ARG 5 1HG ARG 5 -5.884 0.528 0.654
37 2HG ARG 5 2HG ARG 5 -4.916 0.688 -0.809
38 1HD ARG 5 1HD ARG 5 -4.670 -1.729 -0.996
39 2HD ARG 5 2HD ARG 5 -5.430 -1.972 0.589
40 HE ARG 5 HE ARG 5 -6.928 -0.630 -1.626
41 1HH1 ARG 5 1HH1 ARG 5 -6.552 -3.748 -0.758
42 2HH1 ARG 5 2HH1 ARG 5 -8.169 -4.024 -0.201
43 1HH2 ARG 5 1HH2 ARG 5 -9.034 -0.667 -0.226
44 2HH2 ARG 5 2HH2 ARG 5 -9.574 -2.281 0.100
45 H GLY 6 H GLY 6 -0.580 0.540 -0.947
46 1HA GLY 6 1HA GLY 6 -1.650 0.700 -3.749
47 2HA GLY 6 2HA GLY 6 -0.188 1.601 -3.182
48 H TYR 7 H TYR 7 -1.602 -1.517 -2.485
49 HA TYR 7 HA TYR 7 0.489 -2.794 -1.421
50 1HB TYR 7 1HB TYR 7 -2.132 -3.486 -2.412
51 2HB TYR 7 2HB TYR 7 -1.012 -4.830 -2.493
52 HD1 TYR 7 HD1 TYR 7 -3.346 -3.234 -0.462
53 HD2 TYR 7 HD2 TYR 7 0.491 -5.167 -0.201
54 HE1 TYR 7 HE1 TYR 7 -3.714 -3.670 1.947
55 HE2 TYR 7 HE2 TYR 7 0.114 -5.584 2.212
56 HH TYR 7 HH TYR 7 -2.026 -5.850 3.716
57 H GLY 8 H GLY 8 0.777 -4.747 -1.755
58 1HA GLY 8 1HA GLY 8 1.654 -6.596 -3.541
59 2HA GLY 8 2HA GLY 8 3.018 -5.432 -3.394
60 H PHE 9 H PHE 9 3.731 -4.840 -1.438
61 HA PHE 9 HA PHE 9 2.766 -5.897 1.144
62 1HB PHE 9 1HB PHE 9 5.698 -6.006 0.229
63 2HB PHE 9 2HB PHE 9 5.065 -6.620 1.755
64 HD1 PHE 9 HD1 PHE 9 6.096 -7.562 -1.463
65 HD2 PHE 9 HD2 PHE 9 3.025 -8.357 1.434
66 HE1 PHE 9 HE1 PHE 9 5.653 -9.755 -2.532
67 HE2 PHE 9 HE2 PHE 9 2.583 -10.550 0.363
68 HZ PHE 9 HZ PHE 9 3.896 -11.248 -1.621
69 H ARG 10 H ARG 10 2.409 -3.547 -0.397
70 HA ARG 10 HA ARG 10 4.645 -1.877 -0.307
71 1HB ARG 10 1HB ARG 10 1.837 -1.585 -1.080
72 2HB ARG 10 2HB ARG 10 2.821 -0.118 -0.975
73 1HG ARG 10 1HG ARG 10 4.416 -2.138 -2.184
74 2HG ARG 10 2HG ARG 10 2.873 -2.116 -3.030
75 1HD ARG 10 1HD ARG 10 3.350 0.559 -2.835
76 2HD ARG 10 2HD ARG 10 5.011 -0.061 -2.933
77 HE ARG 10 HE ARG 10 3.683 -1.508 -4.875
78 1HH1 ARG 10 1HH1 ARG 10 1.909 0.985 -4.955
79 2HH1 ARG 10 2HH1 ARG 10 2.674 1.894 -6.215
80 1HH2 ARG 10 1HH2 ARG 10 5.595 0.028 -6.154
81 2HH2 ARG 10 2HH2 ARG 10 4.760 1.353 -6.894
82 H GLY 11 H GLY 11 4.853 -2.251 2.247
83 1HA GLY 11 1HA GLY 11 3.707 -0.438 4.098
84 2HA GLY 11 2HA GLY 11 5.421 -0.882 4.089
85 HA PRO 12 HA PRO 12 6.941 2.306 0.995
86 1HB PRO 12 1HB PRO 12 4.301 1.747 -0.339
87 2HB PRO 12 2HB PRO 12 5.748 2.471 -1.089
88 1HG PRO 12 1HG PRO 12 5.270 -0.234 -0.987
89 2HG PRO 12 2HG PRO 12 6.890 0.484 -1.087
90 1HD PRO 12 1HD PRO 12 5.982 -1.068 1.053
91 2HD PRO 12 2HD PRO 12 7.352 0.045 1.099
92 H GLY 13 H GLY 13 3.374 3.046 0.973
93 1HA GLY 13 1HA GLY 13 3.863 5.233 2.860
94 2HA GLY 13 2HA GLY 13 3.628 5.762 1.193
95 H LEU 14 H LEU 14 2.108 4.624 4.024
96 HA LEU 14 HA LEU 14 -0.398 3.794 3.023
97 1HB LEU 14 1HB LEU 14 -0.068 5.233 5.634
98 2HB LEU 14 2HB LEU 14 -1.169 3.915 5.269
99 HG LEU 14 HG LEU 14 1.279 2.758 4.755
100 1HD1 LEU 14 1HD1 LEU 14 2.103 5.033 5.920
101 2HD1 LEU 14 2HD1 LEU 14 2.920 3.498 6.219
102 3HD1 LEU 14 3HD1 LEU 14 1.744 4.113 7.378
103 1HD2 LEU 14 1HD2 LEU 14 0.811 1.459 6.687
104 2HD2 LEU 14 2HD2 LEU 14 -0.768 2.039 6.158
105 3HD2 LEU 14 3HD2 LEU 14 0.052 2.813 7.511
106 H CYS 15 H CYS 15 -2.246 4.869 2.525
107 HA CYS 15 HA CYS 15 -2.017 7.738 1.979
108 1HB CYS 15 1HB CYS 15 -4.147 7.266 0.688
109 2HB CYS 15 2HB CYS 15 -2.741 6.350 0.171
110 HXT CYS 15 HXT CYS 15 -2.211 7.723 4.666
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