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 |
|
|
639014 |
5zvn   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ILE 1 H1 ILE 1 6.092 2.847 -5.609
2 HA ILE 1 HA ILE 1 7.961 1.909 -4.637
3 HB ILE 1 HB ILE 1 7.009 3.216 -2.024
4 HG12 ILE 1 HG12 ILE 1 9.407 4.371 -2.340
5 HG13 ILE 1 HG13 ILE 1 9.094 4.160 -4.024
6 HG21 ILE 1 HG21 ILE 1 9.568 1.637 -2.547
7 HG22 ILE 1 HG22 ILE 1 9.158 2.477 -1.057
8 HG23 ILE 1 HG23 ILE 1 8.201 1.110 -1.559
9 HD11 ILE 1 HD11 ILE 1 8.413 6.407 -3.128
10 HD12 ILE 1 HD12 ILE 1 6.979 5.606 -3.728
11 HD13 ILE 1 HD13 ILE 1 7.307 5.657 -2.000
12 H LEU 2 H LEU 2 7.689 -0.325 -3.720
13 HA LEU 2 HA LEU 2 5.122 -0.962 -2.476
14 HB2 LEU 2 HB2 LEU 2 4.922 -1.162 -5.040
15 HB3 LEU 2 HB3 LEU 2 6.026 -2.490 -4.943
16 HG LEU 2 HG LEU 2 3.765 -3.249 -5.100
17 HD11 LEU 2 HD11 LEU 2 3.592 -4.870 -3.345
18 HD12 LEU 2 HD12 LEU 2 4.570 -3.921 -2.242
19 HD13 LEU 2 HD13 LEU 2 5.297 -4.641 -3.681
20 HD21 LEU 2 HD21 LEU 2 3.008 -1.825 -2.510
21 HD22 LEU 2 HD22 LEU 2 1.971 -2.801 -3.533
22 HD23 LEU 2 HD23 LEU 2 2.593 -1.274 -4.133
23 HA PRO 3 HA PRO 3 8.670 -3.232 -0.580
24 HB2 PRO 3 HB2 PRO 3 7.833 -3.225 2.019
25 HB3 PRO 3 HB3 PRO 3 8.468 -1.782 1.245
26 HG2 PRO 3 HG2 PRO 3 5.562 -2.513 1.674
27 HG3 PRO 3 HG3 PRO 3 6.334 -0.965 1.997
28 HD2 PRO 3 HD2 PRO 3 4.929 -1.524 -0.322
29 HD3 PRO 3 HD3 PRO 3 6.268 -0.365 -0.302
30 H TRP 4 H TRP 4 7.954 -5.068 -1.887
31 HA TRP 4 HA TRP 4 5.757 -6.655 -1.537
32 HB2 TRP 4 HB2 TRP 4 8.388 -6.916 -2.890
33 HB3 TRP 4 HB3 TRP 4 7.749 -8.459 -2.436
34 HD1 TRP 4 HD1 TRP 4 7.523 -6.046 -5.126
35 HE1 TRP 4 HE1 TRP 4 5.632 -6.656 -6.759
36 HE3 TRP 4 HE3 TRP 4 5.035 -9.477 -2.249
37 HZ2 TRP 4 HZ2 TRP 4 3.317 -8.403 -6.800
38 HZ3 TRP 4 HZ3 TRP 4 3.007 -10.609 -3.112
39 HH2 TRP 4 HH2 TRP 4 2.143 -10.080 -5.383
40 H LYS 5 H LYS 5 8.638 -6.945 0.385
41 HA LYS 5 HA LYS 5 9.078 -7.812 2.356
42 HB2 LYS 5 HB2 LYS 5 6.080 -7.470 2.466
43 HB3 LYS 5 HB3 LYS 5 6.822 -8.251 3.809
44 HG2 LYS 5 HG2 LYS 5 7.828 -5.557 2.792
45 HG3 LYS 5 HG3 LYS 5 6.506 -5.708 3.916
46 HD2 LYS 5 HD2 LYS 5 7.988 -6.982 5.500
47 HD3 LYS 5 HD3 LYS 5 9.337 -6.751 4.414
48 HE2 LYS 5 HE2 LYS 5 9.122 -4.254 4.676
49 HE3 LYS 5 HE3 LYS 5 7.755 -4.483 5.748
50 HZ1 LYS 5 HZ1 LYS 5 9.197 -5.672 7.255
51 HZ2 LYS 5 HZ2 LYS 5 9.764 -4.156 6.970
52 HZ3 LYS 5 HZ3 LYS 5 10.489 -5.450 6.257
53 H TRP 6 H TRP 6 7.134 -10.065 0.574
54 HA TRP 6 HA TRP 6 7.176 -12.186 2.467
55 HB2 TRP 6 HB2 TRP 6 5.641 -11.750 0.438
56 HB3 TRP 6 HB3 TRP 6 6.820 -12.526 -0.563
57 HD1 TRP 6 HD1 TRP 6 7.320 -14.929 1.773
58 HE1 TRP 6 HE1 TRP 6 5.458 -16.650 2.192
59 HE3 TRP 6 HE3 TRP 6 3.411 -12.494 -0.466
60 HZ2 TRP 6 HZ2 TRP 6 2.701 -17.046 1.430
61 HZ3 TRP 6 HZ3 TRP 6 1.174 -13.547 -0.569
62 HH2 TRP 6 HH2 TRP 6 0.806 -15.813 0.380
63 H LYS 7 H LYS 7 9.582 -11.763 2.825
64 HA LYS 7 HA LYS 7 11.520 -12.785 3.262
65 HB2 LYS 7 HB2 LYS 7 10.764 -15.007 1.304
66 HB3 LYS 7 HB3 LYS 7 12.132 -15.018 2.365
67 HG2 LYS 7 HG2 LYS 7 10.712 -15.182 4.358
68 HG3 LYS 7 HG3 LYS 7 9.286 -14.802 3.437
69 HD2 LYS 7 HD2 LYS 7 9.149 -17.136 3.758
70 HD3 LYS 7 HD3 LYS 7 9.573 -16.898 2.087
71 HE2 LYS 7 HE2 LYS 7 12.065 -17.310 2.850
72 HE3 LYS 7 HE3 LYS 7 11.387 -17.851 4.372
73 HZ1 LYS 7 HZ1 LYS 7 10.100 -19.500 3.007
74 HZ2 LYS 7 HZ2 LYS 7 11.732 -19.682 2.882
75 HZ3 LYS 7 HZ3 LYS 7 10.918 -18.932 1.678
76 H TRP 8 H TRP 8 10.846 -13.194 -0.145
77 HA TRP 8 HA TRP 8 12.558 -11.524 -1.473
78 HB2 TRP 8 HB2 TRP 8 14.380 -13.108 -0.219
79 HB3 TRP 8 HB3 TRP 8 13.924 -14.275 -1.402
80 HD1 TRP 8 HD1 TRP 8 14.311 -13.360 -4.048
81 HE1 TRP 8 HE1 TRP 8 16.300 -12.033 -4.975
82 HE3 TRP 8 HE3 TRP 8 16.067 -11.373 0.331
83 HZ2 TRP 8 HZ2 TRP 8 18.441 -10.368 -3.931
84 HZ3 TRP 8 HZ3 TRP 8 18.089 -9.934 0.340
85 HH2 TRP 8 HH2 TRP 8 19.280 -9.429 -1.784
86 H THR 9 H THR 9 11.328 -14.813 -1.078
87 HA THR 9 HA THR 9 10.183 -14.955 -3.791
88 HB THR 9 HB THR 9 10.903 -17.507 -3.459
89 HG21 THR 9 HG21 THR 9 11.866 -15.993 -5.255
90 HG22 THR 9 HG22 THR 9 13.088 -17.068 -4.592
91 HG23 THR 9 HG23 THR 9 13.037 -15.386 -4.093
92 HA PRO 10 HA PRO 10 6.659 -15.756 -1.228
93 HB2 PRO 10 HB2 PRO 10 4.821 -16.758 -3.032
94 HB3 PRO 10 HB3 PRO 10 5.342 -15.082 -2.987
95 HG2 PRO 10 HG2 PRO 10 6.336 -17.274 -4.804
96 HG3 PRO 10 HG3 PRO 10 5.916 -15.623 -5.250
97 HD2 PRO 10 HD2 PRO 10 8.523 -16.441 -4.809
98 HD3 PRO 10 HD3 PRO 10 7.987 -14.795 -4.440
99 H TRP 11 H TRP 11 6.138 -17.294 0.173
100 HA TRP 11 HA TRP 11 7.232 -20.024 -0.183
101 HB2 TRP 11 HB2 TRP 11 7.546 -18.450 1.877
102 HB3 TRP 11 HB3 TRP 11 5.915 -18.845 2.325
103 HD1 TRP 11 HD1 TRP 11 9.105 -20.763 1.309
104 HE1 TRP 11 HE1 TRP 11 9.402 -22.824 2.841
105 HE3 TRP 11 HE3 TRP 11 4.822 -20.354 4.072
106 HZ2 TRP 11 HZ2 TRP 11 8.001 -24.069 5.035
107 HZ3 TRP 11 HZ3 TRP 11 4.296 -22.023 5.829
108 HH2 TRP 11 HH2 TRP 11 5.877 -23.881 6.312
109 H ARG 12 H ARG 12 5.556 -20.231 -1.878
110 HA ARG 12 HA ARG 12 2.775 -20.789 -1.125
111 HB2 ARG 12 HB2 ARG 12 2.528 -21.343 -3.510
112 HB3 ARG 12 HB3 ARG 12 3.360 -19.846 -3.308
113 HG2 ARG 12 HG2 ARG 12 4.523 -20.801 -5.049
114 HG3 ARG 12 HG3 ARG 12 5.587 -21.127 -3.714
115 HD2 ARG 12 HD2 ARG 12 5.063 -23.485 -3.724
116 HD3 ARG 12 HD3 ARG 12 3.523 -23.194 -4.535
117 HE ARG 12 HE ARG 12 5.762 -22.456 -6.156
118 HH11 ARG 12 HH11 ARG 12 3.856 -25.276 -4.992
119 HH12 ARG 12 HH12 ARG 12 4.121 -26.214 -6.411
120 HH21 ARG 12 HH21 ARG 12 6.130 -23.771 -8.068
121 HH22 ARG 12 HH22 ARG 12 5.507 -25.365 -8.162
122 H ARG 13 H ARG 13 1.817 -22.969 -1.624
123 HA ARG 13 HA ARG 13 3.127 -25.057 -0.154
124 HB2 ARG 13 HB2 ARG 13 0.649 -25.088 -1.969
125 HB3 ARG 13 HB3 ARG 13 1.155 -26.434 -0.993
126 HG2 ARG 13 HG2 ARG 13 0.902 -25.056 1.085
127 HG3 ARG 13 HG3 ARG 13 0.333 -23.712 0.121
128 HD2 ARG 13 HD2 ARG 13 -1.637 -25.035 -0.644
129 HD3 ARG 13 HD3 ARG 13 -1.029 -26.455 0.196
130 HE ARG 13 HE ARG 13 -1.278 -24.252 1.992
131 HH11 ARG 13 HH11 ARG 13 -3.282 -26.677 0.281
132 HH12 ARG 13 HH12 ARG 13 -4.539 -26.676 1.445
133 HH21 ARG 13 HH21 ARG 13 -2.995 -24.280 3.591
134 HH22 ARG 13 HH22 ARG 13 -4.361 -25.281 3.367
135 HN1 NH2 14 HN1 NH2 14 4.683 -27.169 -2.530
136 HN2 NH2 14 HN2 NH2 14 4.397 -26.765 -0.859
137 H2 BGC 101 H2 BGC 101 10.752 -19.144 -1.632
138 H3 BGC 101 H3 BGC 101 13.123 -19.987 0.122
139 H4 BGC 101 H4 BGC 101 11.892 -21.240 -2.370
140 H5 BGC 101 H5 BGC 101 14.629 -19.940 -1.897
141 H6C1 BGC 101 H6C1 BGC 101 14.991 -20.144 -4.292
142 H6C2 BGC 101 H6C2 BGC 101 13.394 -20.811 -4.554
143 H1 BGC 101 H1 BGC 101 13.561 -17.995 -1.106
144 HB BGC 101 HB BGC 101 10.622 -17.396 -0.265
145 HC BGC 101 HC BGC 101 11.772 -21.938 0.186
146 HD BGC 101 HD BGC 101 13.849 -22.563 -2.019
147 H6 BGC 101 H6 BGC 101 15.203 -22.356 -4.467
Start of MODEL 2
1 H1 ILE 1 H1 ILE 1 2.493 1.868 0.389
2 HA ILE 1 HA ILE 1 1.474 -0.517 -0.880
3 HB ILE 1 HB ILE 1 2.763 1.925 -2.200
4 HG12 ILE 1 HG12 ILE 1 0.495 2.601 -1.688
5 HG13 ILE 1 HG13 ILE 1 0.672 2.351 -3.381
6 HG21 ILE 1 HG21 ILE 1 3.421 -0.051 -3.450
7 HG22 ILE 1 HG22 ILE 1 1.760 -0.638 -3.513
8 HG23 ILE 1 HG23 ILE 1 2.227 0.818 -4.374
9 HD11 ILE 1 HD11 ILE 1 -1.479 1.442 -2.627
10 HD12 ILE 1 HD12 ILE 1 -0.493 0.129 -3.229
11 HD13 ILE 1 HD13 ILE 1 -0.705 0.354 -1.491
12 H LEU 2 H LEU 2 3.412 -1.826 -1.648
13 HA LEU 2 HA LEU 2 6.040 -0.931 -0.719
14 HB2 LEU 2 HB2 LEU 2 4.897 -2.154 1.186
15 HB3 LEU 2 HB3 LEU 2 4.865 -3.584 0.213
16 HG LEU 2 HG LEU 2 6.644 -3.571 1.862
17 HD11 LEU 2 HD11 LEU 2 7.042 -4.830 -0.273
18 HD12 LEU 2 HD12 LEU 2 8.514 -4.347 0.567
19 HD13 LEU 2 HD13 LEU 2 7.997 -3.460 -0.853
20 HD21 LEU 2 HD21 LEU 2 7.983 -1.213 0.466
21 HD22 LEU 2 HD22 LEU 2 8.550 -2.076 1.884
22 HD23 LEU 2 HD23 LEU 2 7.083 -1.118 1.978
23 HA PRO 3 HA PRO 3 5.790 -2.823 -4.894
24 HB2 PRO 3 HB2 PRO 3 7.584 -1.253 -6.238
25 HB3 PRO 3 HB3 PRO 3 6.044 -0.648 -5.677
26 HG2 PRO 3 HG2 PRO 3 8.726 -0.385 -4.308
27 HG3 PRO 3 HG3 PRO 3 7.581 0.908 -4.650
28 HD2 PRO 3 HD2 PRO 3 7.682 -0.352 -2.202
29 HD3 PRO 3 HD3 PRO 3 6.153 0.239 -2.862
30 H TRP 4 H TRP 4 7.393 -4.227 -2.839
31 HA TRP 4 HA TRP 4 9.581 -5.322 -4.564
32 HB2 TRP 4 HB2 TRP 4 9.912 -4.515 -1.660
33 HB3 TRP 4 HB3 TRP 4 10.866 -5.763 -2.402
34 HD1 TRP 4 HD1 TRP 4 12.586 -5.174 -4.249
35 HE1 TRP 4 HE1 TRP 4 13.835 -3.009 -4.827
36 HE3 TRP 4 HE3 TRP 4 9.647 -1.834 -1.712
37 HZ2 TRP 4 HZ2 TRP 4 13.582 -0.181 -4.279
38 HZ3 TRP 4 HZ3 TRP 4 10.185 0.594 -1.748
39 HH2 TRP 4 HH2 TRP 4 12.144 1.423 -3.036
40 H LYS 5 H LYS 5 8.789 -6.418 -1.404
41 HA LYS 5 HA LYS 5 7.705 -8.349 -0.643
42 HB2 LYS 5 HB2 LYS 5 8.019 -9.594 -3.404
43 HB3 LYS 5 HB3 LYS 5 7.408 -10.388 -2.013
44 HG2 LYS 5 HG2 LYS 5 5.398 -9.141 -1.936
45 HG3 LYS 5 HG3 LYS 5 5.947 -7.894 -3.001
46 HD2 LYS 5 HD2 LYS 5 5.785 -10.751 -4.066
47 HD3 LYS 5 HD3 LYS 5 4.329 -9.850 -3.813
48 HE2 LYS 5 HE2 LYS 5 4.904 -9.560 -6.121
49 HE3 LYS 5 HE3 LYS 5 5.101 -8.013 -5.325
50 HZ1 LYS 5 HZ1 LYS 5 6.915 -8.516 -6.809
51 HZ2 LYS 5 HZ2 LYS 5 7.328 -9.858 -5.950
52 HZ3 LYS 5 HZ3 LYS 5 7.451 -8.354 -5.273
53 H TRP 6 H TRP 6 9.362 -8.827 0.776
54 HA TRP 6 HA TRP 6 12.106 -9.017 -0.218
55 HB2 TRP 6 HB2 TRP 6 12.666 -8.984 2.165
56 HB3 TRP 6 HB3 TRP 6 11.536 -7.731 1.807
57 HD1 TRP 6 HD1 TRP 6 9.167 -7.831 2.956
58 HE1 TRP 6 HE1 TRP 6 8.320 -9.022 5.057
59 HE3 TRP 6 HE3 TRP 6 12.865 -11.337 3.438
60 HZ2 TRP 6 HZ2 TRP 6 9.209 -11.144 6.817
61 HZ3 TRP 6 HZ3 TRP 6 12.901 -12.865 5.379
62 HH2 TRP 6 HH2 TRP 6 11.092 -12.756 7.102
63 H LYS 7 H LYS 7 9.648 -11.350 0.453
64 HA LYS 7 HA LYS 7 11.527 -13.515 1.264
65 HB2 LYS 7 HB2 LYS 7 8.483 -13.390 0.882
66 HB3 LYS 7 HB3 LYS 7 9.355 -14.878 1.097
67 HG2 LYS 7 HG2 LYS 7 10.367 -13.890 3.233
68 HG3 LYS 7 HG3 LYS 7 9.203 -12.598 3.112
69 HD2 LYS 7 HD2 LYS 7 7.329 -14.189 3.257
70 HD3 LYS 7 HD3 LYS 7 8.393 -15.561 3.149
71 HE2 LYS 7 HE2 LYS 7 8.350 -13.564 5.478
72 HE3 LYS 7 HE3 LYS 7 7.601 -15.145 5.484
73 HZ1 LYS 7 HZ1 LYS 7 9.812 -16.105 5.105
74 HZ2 LYS 7 HZ2 LYS 7 9.708 -15.284 6.523
75 HZ3 LYS 7 HZ3 LYS 7 10.473 -14.602 5.238
76 H TRP 8 H TRP 8 12.807 -13.546 -0.563
77 HA TRP 8 HA TRP 8 11.901 -13.876 -3.236
78 HB2 TRP 8 HB2 TRP 8 14.373 -13.457 -1.863
79 HB3 TRP 8 HB3 TRP 8 14.599 -14.992 -2.634
80 HD1 TRP 8 HD1 TRP 8 15.377 -14.873 -5.042
81 HE1 TRP 8 HE1 TRP 8 15.582 -13.064 -6.845
82 HE3 TRP 8 HE3 TRP 8 12.859 -11.095 -2.674
83 HZ2 TRP 8 HZ2 TRP 8 14.769 -10.290 -7.205
84 HZ3 TRP 8 HZ3 TRP 8 12.584 -8.889 -3.761
85 HH2 TRP 8 HH2 TRP 8 13.544 -8.473 -6.024
86 H THR 9 H THR 9 11.887 -16.152 -0.703
87 HA THR 9 HA THR 9 11.416 -18.381 -2.612
88 HB THR 9 HB THR 9 13.553 -18.666 -1.506
89 HG21 THR 9 HG21 THR 9 13.834 -19.231 0.820
90 HG22 THR 9 HG22 THR 9 12.106 -19.226 1.134
91 HG23 THR 9 HG23 THR 9 12.965 -17.717 0.816
92 HA PRO 10 HA PRO 10 7.579 -17.472 -0.213
93 HB2 PRO 10 HB2 PRO 10 5.750 -17.747 -2.218
94 HB3 PRO 10 HB3 PRO 10 6.790 -16.335 -2.097
95 HG2 PRO 10 HG2 PRO 10 7.182 -18.751 -3.872
96 HG3 PRO 10 HG3 PRO 10 7.300 -17.054 -4.329
97 HD2 PRO 10 HD2 PRO 10 9.494 -18.602 -3.683
98 HD3 PRO 10 HD3 PRO 10 9.464 -16.861 -3.376
99 H TRP 11 H TRP 11 8.233 -19.499 0.916
100 HA TRP 11 HA TRP 11 7.491 -22.089 -0.051
101 HB2 TRP 11 HB2 TRP 11 9.193 -21.210 1.850
102 HB3 TRP 11 HB3 TRP 11 7.883 -21.555 2.927
103 HD1 TRP 11 HD1 TRP 11 10.527 -23.028 0.769
104 HE1 TRP 11 HE1 TRP 11 10.740 -25.566 1.076
105 HE3 TRP 11 HE3 TRP 11 6.383 -23.853 3.679
106 HZ2 TRP 11 HZ2 TRP 11 9.256 -27.696 2.357
107 HZ3 TRP 11 HZ3 TRP 11 5.811 -26.138 4.418
108 HH2 TRP 11 HH2 TRP 11 7.234 -28.070 3.758
109 H ARG 12 H ARG 12 5.244 -20.757 -0.523
110 HA ARG 12 HA ARG 12 3.319 -22.410 0.653
111 HB2 ARG 12 HB2 ARG 12 1.797 -20.929 1.765
112 HB3 ARG 12 HB3 ARG 12 3.333 -20.723 2.503
113 HG2 ARG 12 HG2 ARG 12 2.590 -18.552 2.381
114 HG3 ARG 12 HG3 ARG 12 3.648 -18.622 0.999
115 HD2 ARG 12 HD2 ARG 12 1.862 -18.417 -0.542
116 HD3 ARG 12 HD3 ARG 12 0.764 -19.318 0.493
117 HE ARG 12 HE ARG 12 1.455 -16.775 1.606
118 HH11 ARG 12 HH11 ARG 12 -0.744 -18.406 -0.746
119 HH12 ARG 12 HH12 ARG 12 -2.007 -17.258 -0.551
120 HH21 ARG 12 HH21 ARG 12 -0.259 -15.184 1.770
121 HH22 ARG 12 HH22 ARG 12 -1.684 -15.348 0.837
122 H ARG 13 H ARG 13 1.348 -22.352 -0.649
123 HA ARG 13 HA ARG 13 1.819 -21.591 -3.401
124 HB2 ARG 13 HB2 ARG 13 -0.707 -22.565 -1.956
125 HB3 ARG 13 HB3 ARG 13 -0.582 -22.342 -3.679
126 HG2 ARG 13 HG2 ARG 13 1.298 -24.019 -3.769
127 HG3 ARG 13 HG3 ARG 13 1.147 -24.276 -2.058
128 HD2 ARG 13 HD2 ARG 13 -0.049 -26.091 -3.080
129 HD3 ARG 13 HD3 ARG 13 -1.256 -25.035 -2.410
130 HE ARG 13 HE ARG 13 -1.987 -24.427 -4.482
131 HH11 ARG 13 HH11 ARG 13 0.921 -26.454 -4.888
132 HH12 ARG 13 HH12 ARG 13 0.700 -26.718 -6.567
133 HH21 ARG 13 HH21 ARG 13 -2.309 -24.794 -6.778
134 HH22 ARG 13 HH22 ARG 13 -1.187 -25.727 -7.665
135 HN1 NH2 14 HN1 NH2 14 0.484 -18.334 -3.616
136 HN2 NH2 14 HN2 NH2 14 1.625 -19.536 -4.167
137 H2 BGC 101 H2 BGC 101 13.047 -22.338 -2.799
138 H3 BGC 101 H3 BGC 101 13.817 -23.913 -0.292
139 H4 BGC 101 H4 BGC 101 15.619 -22.908 -2.535
140 H5 BGC 101 H5 BGC 101 15.379 -21.995 0.382
141 H6C1 BGC 101 H6C1 BGC 101 17.119 -20.879 -1.874
142 H6C2 BGC 101 H6C2 BGC 101 17.723 -21.832 -0.529
143 H1 BGC 101 H1 BGC 101 13.137 -21.421 0.141
144 HB BGC 101 HB BGC 101 11.589 -23.927 -1.867
145 HC BGC 101 HC BGC 101 13.939 -24.586 -3.067
146 HD BGC 101 HD BGC 101 15.985 -24.969 -1.390
147 H6 BGC 101 H6 BGC 101 17.909 -19.568 -0.162
Start of MODEL 3
1 H1 ILE 1 H1 ILE 1 8.474 5.966 1.336
2 HA ILE 1 HA ILE 1 9.258 3.627 0.938
3 HB ILE 1 HB ILE 1 7.151 2.614 1.843
4 HG12 ILE 1 HG12 ILE 1 5.857 5.380 1.649
5 HG13 ILE 1 HG13 ILE 1 5.491 4.067 0.568
6 HG21 ILE 1 HG21 ILE 1 7.872 5.210 3.292
7 HG22 ILE 1 HG22 ILE 1 7.207 3.750 3.996
8 HG23 ILE 1 HG23 ILE 1 8.825 3.727 3.345
9 HD11 ILE 1 HD11 ILE 1 3.789 4.141 2.277
10 HD12 ILE 1 HD12 ILE 1 4.714 2.665 2.507
11 HD13 ILE 1 HD13 ILE 1 4.966 4.050 3.572
12 H LEU 2 H LEU 2 8.640 1.559 -0.227
13 HA LEU 2 HA LEU 2 6.742 1.755 -2.399
14 HB2 LEU 2 HB2 LEU 2 8.993 2.730 -3.242
15 HB3 LEU 2 HB3 LEU 2 9.636 1.131 -3.119
16 HG LEU 2 HG LEU 2 8.997 1.707 -5.371
17 HD11 LEU 2 HD11 LEU 2 7.753 -0.238 -6.059
18 HD12 LEU 2 HD12 LEU 2 7.057 -0.451 -4.463
19 HD13 LEU 2 HD13 LEU 2 8.790 -0.685 -4.713
20 HD21 LEU 2 HD21 LEU 2 7.153 3.326 -4.873
21 HD22 LEU 2 HD22 LEU 2 6.070 1.972 -4.554
22 HD23 LEU 2 HD23 LEU 2 6.758 2.188 -6.151
23 HA PRO 3 HA PRO 3 7.122 -2.252 -0.117
24 HB2 PRO 3 HB2 PRO 3 4.486 -2.755 0.379
25 HB3 PRO 3 HB3 PRO 3 5.361 -1.498 1.229
26 HG2 PRO 3 HG2 PRO 3 3.554 -1.162 -1.174
27 HG3 PRO 3 HG3 PRO 3 3.511 -0.243 0.327
28 HD2 PRO 3 HD2 PRO 3 4.822 0.638 -1.942
29 HD3 PRO 3 HD3 PRO 3 5.403 1.056 -0.323
30 H TRP 4 H TRP 4 7.955 -2.744 -2.475
31 HA TRP 4 HA TRP 4 6.124 -4.764 -3.679
32 HB2 TRP 4 HB2 TRP 4 6.037 -2.703 -5.058
33 HB3 TRP 4 HB3 TRP 4 7.774 -2.766 -5.264
34 HD1 TRP 4 HD1 TRP 4 4.628 -4.745 -6.172
35 HE1 TRP 4 HE1 TRP 4 5.045 -6.049 -8.342
36 HE3 TRP 4 HE3 TRP 4 9.601 -3.703 -6.788
37 HZ2 TRP 4 HZ2 TRP 4 7.297 -6.630 -10.096
38 HZ3 TRP 4 HZ3 TRP 4 10.855 -4.632 -8.712
39 HH2 TRP 4 HH2 TRP 4 9.715 -6.092 -10.372
40 H LYS 5 H LYS 5 6.986 -6.617 -3.748
41 HA LYS 5 HA LYS 5 8.216 -8.342 -3.908
42 HB2 LYS 5 HB2 LYS 5 9.131 -6.588 -5.966
43 HB3 LYS 5 HB3 LYS 5 10.555 -7.378 -5.407
44 HG2 LYS 5 HG2 LYS 5 7.996 -8.743 -6.366
45 HG3 LYS 5 HG3 LYS 5 9.471 -8.589 -7.280
46 HD2 LYS 5 HD2 LYS 5 10.693 -10.001 -5.637
47 HD3 LYS 5 HD3 LYS 5 9.269 -10.120 -4.638
48 HE2 LYS 5 HE2 LYS 5 8.054 -11.239 -6.589
49 HE3 LYS 5 HE3 LYS 5 9.621 -11.375 -7.377
50 HZ1 LYS 5 HZ1 LYS 5 8.949 -12.405 -4.692
51 HZ2 LYS 5 HZ2 LYS 5 10.405 -12.564 -5.415
52 HZ3 LYS 5 HZ3 LYS 5 9.092 -13.322 -6.054
53 H TRP 6 H TRP 6 9.521 -6.074 -1.971
54 HA TRP 6 HA TRP 6 12.015 -7.095 -1.196
55 HB2 TRP 6 HB2 TRP 6 10.599 -4.866 -0.653
56 HB3 TRP 6 HB3 TRP 6 10.182 -5.708 0.803
57 HD1 TRP 6 HD1 TRP 6 13.076 -4.198 -1.123
58 HE1 TRP 6 HE1 TRP 6 15.023 -3.643 0.457
59 HE3 TRP 6 HE3 TRP 6 11.296 -6.378 3.157
60 HZ2 TRP 6 HZ2 TRP 6 15.702 -4.057 3.245
61 HZ3 TRP 6 HZ3 TRP 6 12.607 -6.275 5.259
62 HH2 TRP 6 HH2 TRP 6 14.810 -5.119 5.310
63 H LYS 7 H LYS 7 9.710 -9.161 -1.203
64 HA LYS 7 HA LYS 7 10.607 -10.684 1.024
65 HB2 LYS 7 HB2 LYS 7 7.991 -9.318 1.247
66 HB3 LYS 7 HB3 LYS 7 7.802 -11.024 1.396
67 HG2 LYS 7 HG2 LYS 7 9.787 -9.393 3.047
68 HG3 LYS 7 HG3 LYS 7 8.178 -9.737 3.579
69 HD2 LYS 7 HD2 LYS 7 10.154 -11.962 2.872
70 HD3 LYS 7 HD3 LYS 7 10.093 -11.236 4.449
71 HE2 LYS 7 HE2 LYS 7 7.838 -11.998 4.881
72 HE3 LYS 7 HE3 LYS 7 7.589 -12.485 3.216
73 HZ1 LYS 7 HZ1 LYS 7 9.646 -13.730 4.897
74 HZ2 LYS 7 HZ2 LYS 7 9.072 -14.211 3.409
75 HZ3 LYS 7 HZ3 LYS 7 8.111 -14.306 4.738
76 H TRP 8 H TRP 8 10.315 -12.829 0.801
77 HA TRP 8 HA TRP 8 8.772 -13.908 -1.511
78 HB2 TRP 8 HB2 TRP 8 11.575 -14.527 -0.577
79 HB3 TRP 8 HB3 TRP 8 10.567 -15.914 -0.793
80 HD1 TRP 8 HD1 TRP 8 10.453 -16.937 -3.036
81 HE1 TRP 8 HE1 TRP 8 11.374 -16.402 -5.351
82 HE3 TRP 8 HE3 TRP 8 11.761 -12.035 -2.266
83 HZ2 TRP 8 HZ2 TRP 8 12.598 -14.133 -6.709
84 HZ3 TRP 8 HZ3 TRP 8 12.789 -10.719 -4.080
85 HH2 TRP 8 HH2 TRP 8 13.243 -11.761 -6.297
86 H THR 9 H THR 9 7.565 -15.737 -1.008
87 HA THR 9 HA THR 9 7.125 -16.496 1.836
88 HB THR 9 HB THR 9 4.706 -16.681 0.978
89 HG21 THR 9 HG21 THR 9 5.530 -14.779 2.482
90 HG22 THR 9 HG22 THR 9 4.200 -14.322 1.450
91 HG23 THR 9 HG23 THR 9 5.837 -13.821 1.031
92 HA PRO 10 HA PRO 10 8.099 -20.240 -0.744
93 HB2 PRO 10 HB2 PRO 10 9.925 -21.449 0.923
94 HB3 PRO 10 HB3 PRO 10 10.365 -20.172 -0.200
95 HG2 PRO 10 HG2 PRO 10 9.813 -19.930 2.753
96 HG3 PRO 10 HG3 PRO 10 11.135 -19.202 1.851
97 HD2 PRO 10 HD2 PRO 10 8.812 -17.849 2.524
98 HD3 PRO 10 HD3 PRO 10 9.732 -17.461 1.060
99 H TRP 11 H TRP 11 6.816 -22.082 -0.550
100 HA TRP 11 HA TRP 11 6.149 -23.215 1.994
101 HB2 TRP 11 HB2 TRP 11 4.481 -21.257 1.717
102 HB3 TRP 11 HB3 TRP 11 3.841 -22.089 0.334
103 HD1 TRP 11 HD1 TRP 11 4.689 -23.257 3.926
104 HE1 TRP 11 HE1 TRP 11 2.598 -24.261 5.010
105 HE3 TRP 11 HE3 TRP 11 1.421 -22.715 0.022
106 HZ2 TRP 11 HZ2 TRP 11 -0.186 -24.674 4.309
107 HZ3 TRP 11 HZ3 TRP 11 -0.960 -23.345 0.281
108 HH2 TRP 11 HH2 TRP 11 -1.782 -24.288 2.433
109 H ARG 12 H ARG 12 5.024 -25.221 1.739
110 HA ARG 12 HA ARG 12 5.853 -26.740 -0.611
111 HB2 ARG 12 HB2 ARG 12 4.726 -28.641 0.635
112 HB3 ARG 12 HB3 ARG 12 6.053 -27.876 1.419
113 HG2 ARG 12 HG2 ARG 12 4.855 -27.757 3.272
114 HG3 ARG 12 HG3 ARG 12 3.929 -26.470 2.596
115 HD2 ARG 12 HD2 ARG 12 3.097 -29.387 2.127
116 HD3 ARG 12 HD3 ARG 12 2.746 -28.547 3.622
117 HE ARG 12 HE ARG 12 2.033 -27.105 1.189
118 HH11 ARG 12 HH11 ARG 12 0.784 -29.290 3.747
119 HH12 ARG 12 HH12 ARG 12 -0.864 -28.868 3.504
120 HH21 ARG 12 HH21 ARG 12 -0.125 -26.479 0.940
121 HH22 ARG 12 HH22 ARG 12 -1.415 -27.270 1.761
122 H ARG 13 H ARG 13 4.737 -26.632 -2.427
123 HA ARG 13 HA ARG 13 2.208 -25.472 -2.781
124 HB2 ARG 13 HB2 ARG 13 4.077 -25.660 -4.470
125 HB3 ARG 13 HB3 ARG 13 3.753 -27.365 -4.643
126 HG2 ARG 13 HG2 ARG 13 1.464 -26.818 -5.562
127 HG3 ARG 13 HG3 ARG 13 1.804 -25.119 -5.354
128 HD2 ARG 13 HD2 ARG 13 3.789 -25.401 -6.945
129 HD3 ARG 13 HD3 ARG 13 3.281 -27.059 -7.223
130 HE ARG 13 HE ARG 13 1.020 -25.546 -7.684
131 HH11 ARG 13 HH11 ARG 13 4.250 -25.832 -9.150
132 HH12 ARG 13 HH12 ARG 13 3.782 -25.264 -10.703
133 HH21 ARG 13 HH21 ARG 13 0.374 -24.694 -9.780
134 HH22 ARG 13 HH22 ARG 13 1.502 -24.622 -11.065
135 HN1 NH2 14 HN1 NH2 14 1.334 -29.472 -2.377
136 HN2 NH2 14 HN2 NH2 14 2.993 -28.916 -2.219
137 H2 BGC 101 H2 BGC 101 4.059 -16.287 -3.081
138 H3 BGC 101 H3 BGC 101 2.358 -13.764 -2.810
139 H4 BGC 101 H4 BGC 101 1.495 -16.679 -2.936
140 H5 BGC 101 H5 BGC 101 1.437 -14.721 -0.565
141 H6C1 BGC 101 H6C1 BGC 101 0.629 -17.659 -0.821
142 H6C2 BGC 101 H6C2 BGC 101 -0.382 -16.331 -0.278
143 H1 BGC 101 H1 BGC 101 3.747 -14.297 -0.754
144 HB BGC 101 HB BGC 101 4.583 -14.306 -4.189
145 HC BGC 101 HC BGC 101 1.489 -14.563 -4.773
146 HD BGC 101 HD BGC 101 -0.564 -15.724 -2.655
147 H6 BGC 101 H6 BGC 101 2.015 -17.201 0.986
Start of MODEL 4
1 H1 ILE 1 H1 ILE 1 11.171 4.851 -5.376
2 HA ILE 1 HA ILE 1 11.573 4.848 -2.528
3 HB ILE 1 HB ILE 1 9.160 5.929 -4.082
4 HG12 ILE 1 HG12 ILE 1 9.702 8.033 -2.612
5 HG13 ILE 1 HG13 ILE 1 11.306 7.410 -2.492
6 HG21 ILE 1 HG21 ILE 1 8.181 6.493 -1.881
7 HG22 ILE 1 HG22 ILE 1 8.378 4.776 -2.051
8 HG23 ILE 1 HG23 ILE 1 9.513 5.698 -1.061
9 HD11 ILE 1 HD11 ILE 1 10.899 9.153 -4.297
10 HD12 ILE 1 HD12 ILE 1 11.570 7.708 -4.999
11 HD13 ILE 1 HD13 ILE 1 9.839 8.042 -5.136
12 H LEU 2 H LEU 2 10.165 3.030 -1.622
13 HA LEU 2 HA LEU 2 8.882 1.277 -3.580
14 HB2 LEU 2 HB2 LEU 2 11.334 0.717 -3.558
15 HB3 LEU 2 HB3 LEU 2 11.176 0.144 -1.934
16 HG LEU 2 HG LEU 2 9.403 -0.909 -4.189
17 HD11 LEU 2 HD11 LEU 2 12.194 -1.948 -3.523
18 HD12 LEU 2 HD12 LEU 2 11.716 -1.123 -5.005
19 HD13 LEU 2 HD13 LEU 2 11.050 -2.699 -4.628
20 HD21 LEU 2 HD21 LEU 2 8.737 -1.673 -1.900
21 HD22 LEU 2 HD22 LEU 2 10.374 -2.307 -1.648
22 HD23 LEU 2 HD23 LEU 2 9.321 -2.995 -2.872
23 HA PRO 3 HA PRO 3 6.619 1.284 0.456
24 HB2 PRO 3 HB2 PRO 3 4.066 1.383 -0.541
25 HB3 PRO 3 HB3 PRO 3 5.075 2.815 -0.416
26 HG2 PRO 3 HG2 PRO 3 4.573 1.110 -2.855
27 HG3 PRO 3 HG3 PRO 3 4.547 2.866 -2.756
28 HD2 PRO 3 HD2 PRO 3 6.712 1.410 -3.650
29 HD3 PRO 3 HD3 PRO 3 6.922 2.976 -2.861
30 H TRP 4 H TRP 4 5.265 -0.416 1.355
31 HA TRP 4 HA TRP 4 4.637 -2.461 1.807
32 HB2 TRP 4 HB2 TRP 4 3.310 -2.245 -0.360
33 HB3 TRP 4 HB3 TRP 4 4.542 -3.175 -1.157
34 HD1 TRP 4 HD1 TRP 4 2.193 -3.509 1.883
35 HE1 TRP 4 HE1 TRP 4 1.353 -5.927 2.049
36 HE3 TRP 4 HE3 TRP 4 4.825 -5.552 -2.009
37 HZ2 TRP 4 HZ2 TRP 4 1.763 -8.440 0.657
38 HZ3 TRP 4 HZ3 TRP 4 4.549 -7.947 -2.590
39 HH2 TRP 4 HH2 TRP 4 3.017 -9.394 -1.264
40 H LYS 5 H LYS 5 5.350 -4.820 1.924
41 HA LYS 5 HA LYS 5 7.775 -5.648 0.820
42 HB2 LYS 5 HB2 LYS 5 8.009 -4.112 3.358
43 HB3 LYS 5 HB3 LYS 5 8.633 -5.706 3.542
44 HG2 LYS 5 HG2 LYS 5 10.400 -5.425 2.134
45 HG3 LYS 5 HG3 LYS 5 9.590 -4.376 1.032
46 HD2 LYS 5 HD2 LYS 5 10.552 -3.505 3.804
47 HD3 LYS 5 HD3 LYS 5 11.499 -3.341 2.361
48 HE2 LYS 5 HE2 LYS 5 8.847 -1.898 2.918
49 HE3 LYS 5 HE3 LYS 5 10.448 -1.190 2.904
50 HZ1 LYS 5 HZ1 LYS 5 9.455 -0.727 0.807
51 HZ2 LYS 5 HZ2 LYS 5 8.907 -2.257 0.665
52 HZ3 LYS 5 HZ3 LYS 5 10.526 -1.946 0.501
53 H TRP 6 H TRP 6 8.291 -7.857 1.458
54 HA TRP 6 HA TRP 6 6.313 -9.312 2.963
55 HB2 TRP 6 HB2 TRP 6 5.446 -8.766 0.480
56 HB3 TRP 6 HB3 TRP 6 6.495 -10.063 0.020
57 HD1 TRP 6 HD1 TRP 6 3.844 -9.518 2.788
58 HE1 TRP 6 HE1 TRP 6 2.192 -11.495 2.791
59 HE3 TRP 6 HE3 TRP 6 5.867 -12.278 -1.023
60 HZ2 TRP 6 HZ2 TRP 6 1.808 -13.959 1.323
61 HZ3 TRP 6 HZ3 TRP 6 4.846 -14.416 -1.703
62 HH2 TRP 6 HH2 TRP 6 2.810 -15.271 -0.542
63 H LYS 7 H LYS 7 7.052 -11.826 1.547
64 HA LYS 7 HA LYS 7 9.918 -12.103 1.969
65 HB2 LYS 7 HB2 LYS 7 7.892 -13.645 3.664
66 HB3 LYS 7 HB3 LYS 7 9.545 -14.141 3.463
67 HG2 LYS 7 HG2 LYS 7 10.307 -11.902 4.390
68 HG3 LYS 7 HG3 LYS 7 8.641 -11.537 4.754
69 HD2 LYS 7 HD2 LYS 7 8.505 -13.560 6.221
70 HD3 LYS 7 HD3 LYS 7 10.180 -13.929 5.866
71 HE2 LYS 7 HE2 LYS 7 10.884 -11.728 6.883
72 HE3 LYS 7 HE3 LYS 7 9.209 -11.358 7.241
73 HZ1 LYS 7 HZ1 LYS 7 9.140 -13.292 8.670
74 HZ2 LYS 7 HZ2 LYS 7 10.340 -12.267 9.132
75 HZ3 LYS 7 HZ3 LYS 7 10.713 -13.648 8.323
76 H TRP 8 H TRP 8 10.276 -14.718 1.638
77 HA TRP 8 HA TRP 8 9.816 -15.082 -1.149
78 HB2 TRP 8 HB2 TRP 8 11.331 -16.377 1.044
79 HB3 TRP 8 HB3 TRP 8 10.568 -17.582 0.079
80 HD1 TRP 8 HD1 TRP 8 11.775 -18.371 -1.939
81 HE1 TRP 8 HE1 TRP 8 13.893 -17.687 -3.220
82 HE3 TRP 8 HE3 TRP 8 12.648 -13.862 0.310
83 HZ2 TRP 8 HZ2 TRP 8 15.702 -15.409 -3.310
84 HZ3 TRP 8 HZ3 TRP 8 14.611 -12.489 -0.340
85 HH2 TRP 8 HH2 TRP 8 16.139 -13.257 -2.140
86 H THR 9 H THR 9 8.327 -16.333 -2.238
87 HA THR 9 HA THR 9 6.004 -17.351 -1.114
88 HB THR 9 HB THR 9 5.634 -18.520 -3.233
89 HG21 THR 9 HG21 THR 9 5.629 -16.565 -4.765
90 HG22 THR 9 HG22 THR 9 6.517 -15.630 -3.565
91 HG23 THR 9 HG23 THR 9 4.918 -16.244 -3.191
92 HA PRO 10 HA PRO 10 7.368 -21.117 0.767
93 HB2 PRO 10 HB2 PRO 10 5.002 -22.442 1.222
94 HB3 PRO 10 HB3 PRO 10 5.431 -20.941 2.031
95 HG2 PRO 10 HG2 PRO 10 3.646 -21.289 -0.381
96 HG3 PRO 10 HG3 PRO 10 3.334 -20.314 1.052
97 HD2 PRO 10 HD2 PRO 10 4.340 -19.247 -1.293
98 HD3 PRO 10 HD3 PRO 10 4.766 -18.590 0.295
99 H TRP 11 H TRP 11 8.553 -22.520 -0.399
100 HA TRP 11 HA TRP 11 7.824 -23.798 -2.831
101 HB2 TRP 11 HB2 TRP 11 10.156 -23.288 -1.930
102 HB3 TRP 11 HB3 TRP 11 9.963 -24.560 -0.761
103 HD1 TRP 11 HD1 TRP 11 10.507 -26.967 -1.533
104 HE1 TRP 11 HE1 TRP 11 11.495 -27.998 -3.674
105 HE3 TRP 11 HE3 TRP 11 10.052 -22.936 -4.654
106 HZ2 TRP 11 HZ2 TRP 11 12.025 -27.167 -6.401
107 HZ3 TRP 11 HZ3 TRP 11 10.823 -23.074 -7.006
108 HH2 TRP 11 HH2 TRP 11 11.812 -25.180 -7.885
109 H ARG 12 H ARG 12 7.457 -24.822 0.550
110 HA ARG 12 HA ARG 12 6.997 -27.664 -0.136
111 HB2 ARG 12 HB2 ARG 12 8.151 -26.777 2.008
112 HB3 ARG 12 HB3 ARG 12 6.592 -26.302 2.589
113 HG2 ARG 12 HG2 ARG 12 7.516 -29.131 1.870
114 HG3 ARG 12 HG3 ARG 12 7.336 -28.483 3.474
115 HD2 ARG 12 HD2 ARG 12 4.800 -28.282 3.034
116 HD3 ARG 12 HD3 ARG 12 5.087 -29.117 1.513
117 HE ARG 12 HE ARG 12 6.074 -30.388 3.952
118 HH11 ARG 12 HH11 ARG 12 3.399 -30.301 1.513
119 HH12 ARG 12 HH12 ARG 12 2.826 -31.858 1.926
120 HH21 ARG 12 HH21 ARG 12 5.306 -32.535 4.401
121 HH22 ARG 12 HH22 ARG 12 3.918 -33.153 3.615
122 H ARG 13 H ARG 13 5.224 -27.432 -1.493
123 HA ARG 13 HA ARG 13 2.767 -26.220 -1.072
124 HB2 ARG 13 HB2 ARG 13 3.566 -27.326 -3.154
125 HB3 ARG 13 HB3 ARG 13 3.359 -28.902 -2.432
126 HG2 ARG 13 HG2 ARG 13 0.893 -28.533 -2.297
127 HG3 ARG 13 HG3 ARG 13 1.096 -26.901 -2.903
128 HD2 ARG 13 HD2 ARG 13 2.124 -27.874 -5.011
129 HD3 ARG 13 HD3 ARG 13 1.719 -29.482 -4.445
130 HE ARG 13 HE ARG 13 -0.667 -28.336 -4.239
131 HH11 ARG 13 HH11 ARG 13 1.614 -28.291 -6.966
132 HH12 ARG 13 HH12 ARG 13 0.421 -28.085 -8.180
133 HH21 ARG 13 HH21 ARG 13 -2.323 -28.015 -5.880
134 HH22 ARG 13 HH22 ARG 13 -1.880 -27.929 -7.526
135 HN1 NH2 14 HN1 NH2 14 1.004 -27.866 1.507
136 HN2 NH2 14 HN2 NH2 14 1.347 -26.406 0.613
137 H2 BGC 101 H2 BGC 101 9.023 -18.069 -6.204
138 H3 BGC 101 H3 BGC 101 11.498 -18.102 -4.419
139 H4 BGC 101 H4 BGC 101 10.497 -15.874 -6.233
140 H5 BGC 101 H5 BGC 101 10.530 -15.951 -3.181
141 H6C1 BGC 101 H6C1 BGC 101 9.465 -13.876 -5.162
142 H6C2 BGC 101 H6C2 BGC 101 10.788 -13.646 -4.038
143 H1 BGC 101 H1 BGC 101 9.247 -18.011 -3.143
144 HB BGC 101 HB BGC 101 10.198 -20.024 -5.906
145 HC BGC 101 HC BGC 101 12.435 -17.604 -6.559
146 HD BGC 101 HD BGC 101 12.617 -15.917 -4.319
147 H6 BGC 101 H6 BGC 101 8.038 -14.072 -3.455
Start of MODEL 5
1 H1 ILE 1 H1 ILE 1 2.741 5.126 -3.941
2 HA ILE 1 HA ILE 1 2.698 2.974 -4.755
3 HB ILE 1 HB ILE 1 3.372 3.561 -7.058
4 HG12 ILE 1 HG12 ILE 1 5.248 1.391 -6.045
5 HG13 ILE 1 HG13 ILE 1 3.523 1.182 -6.198
6 HG21 ILE 1 HG21 ILE 1 5.693 3.934 -7.760
7 HG22 ILE 1 HG22 ILE 1 5.285 5.140 -6.573
8 HG23 ILE 1 HG23 ILE 1 6.281 3.762 -6.118
9 HD11 ILE 1 HD11 ILE 1 5.431 1.789 -8.512
10 HD12 ILE 1 HD12 ILE 1 4.604 0.279 -8.185
11 HD13 ILE 1 HD13 ILE 1 3.677 1.691 -8.668
12 H LEU 2 H LEU 2 4.232 1.271 -3.809
13 HA LEU 2 HA LEU 2 6.104 2.439 -1.806
14 HB2 LEU 2 HB2 LEU 2 4.059 1.212 -1.015
15 HB3 LEU 2 HB3 LEU 2 4.533 -0.208 -1.883
16 HG LEU 2 HG LEU 2 4.891 -0.117 0.612
17 HD11 LEU 2 HD11 LEU 2 5.935 -1.887 -0.738
18 HD12 LEU 2 HD12 LEU 2 6.936 -1.440 0.638
19 HD13 LEU 2 HD13 LEU 2 7.363 -0.895 -0.969
20 HD21 LEU 2 HD21 LEU 2 6.811 0.957 1.605
21 HD22 LEU 2 HD22 LEU 2 5.863 2.183 0.781
22 HD23 LEU 2 HD23 LEU 2 7.359 1.578 0.062
23 HA PRO 3 HA PRO 3 8.779 0.105 -4.817
24 HB2 PRO 3 HB2 PRO 3 11.176 1.334 -4.306
25 HB3 PRO 3 HB3 PRO 3 9.899 2.136 -5.208
26 HG2 PRO 3 HG2 PRO 3 10.562 2.450 -2.275
27 HG3 PRO 3 HG3 PRO 3 10.268 3.732 -3.445
28 HD2 PRO 3 HD2 PRO 3 8.334 2.781 -1.719
29 HD3 PRO 3 HD3 PRO 3 7.912 3.410 -3.317
30 H TRP 4 H TRP 4 10.416 -1.484 -4.551
31 HA TRP 4 HA TRP 4 11.735 -3.012 -3.634
32 HB2 TRP 4 HB2 TRP 4 12.414 -1.226 -1.873
33 HB3 TRP 4 HB3 TRP 4 11.318 -2.032 -0.791
34 HD1 TRP 4 HD1 TRP 4 12.275 -4.002 0.510
35 HE1 TRP 4 HE1 TRP 4 14.483 -5.323 0.515
36 HE3 TRP 4 HE3 TRP 4 14.405 -2.051 -3.720
37 HZ2 TRP 4 HZ2 TRP 4 16.879 -5.493 -1.104
38 HZ3 TRP 4 HZ3 TRP 4 16.655 -2.791 -4.450
39 HH2 TRP 4 HH2 TRP 4 17.897 -4.508 -3.148
40 H LYS 5 H LYS 5 11.503 -4.944 -1.851
41 HA LYS 5 HA LYS 5 8.976 -5.545 -0.842
42 HB2 LYS 5 HB2 LYS 5 8.357 -7.524 -2.236
43 HB3 LYS 5 HB3 LYS 5 8.172 -6.019 -3.064
44 HG2 LYS 5 HG2 LYS 5 10.530 -6.498 -4.137
45 HG3 LYS 5 HG3 LYS 5 10.397 -8.078 -3.436
46 HD2 LYS 5 HD2 LYS 5 9.669 -8.344 -5.649
47 HD3 LYS 5 HD3 LYS 5 8.198 -8.388 -4.711
48 HE2 LYS 5 HE2 LYS 5 7.748 -5.972 -5.327
49 HE3 LYS 5 HE3 LYS 5 9.268 -5.905 -6.190
50 HZ1 LYS 5 HZ1 LYS 5 7.020 -7.678 -6.874
51 HZ2 LYS 5 HZ2 LYS 5 8.446 -7.576 -7.691
52 HZ3 LYS 5 HZ3 LYS 5 7.429 -6.288 -7.652
53 H TRP 6 H TRP 6 9.216 -7.176 0.719
54 HA TRP 6 HA TRP 6 11.219 -9.199 0.381
55 HB2 TRP 6 HB2 TRP 6 12.567 -7.333 1.411
56 HB3 TRP 6 HB3 TRP 6 11.571 -7.420 2.837
57 HD1 TRP 6 HD1 TRP 6 14.282 -9.214 0.917
58 HE1 TRP 6 HE1 TRP 6 15.344 -11.062 2.345
59 HE3 TRP 6 HE3 TRP 6 11.057 -9.120 4.895
60 HZ2 TRP 6 HZ2 TRP 6 14.804 -12.403 4.863
61 HZ3 TRP 6 HZ3 TRP 6 11.354 -10.692 6.793
62 HH2 TRP 6 HH2 TRP 6 13.220 -12.336 6.781
63 H LYS 7 H LYS 7 10.610 -11.000 1.215
64 HA LYS 7 HA LYS 7 9.808 -12.067 3.385
65 HB2 LYS 7 HB2 LYS 7 7.358 -12.419 3.410
66 HB3 LYS 7 HB3 LYS 7 7.773 -10.782 3.727
67 HG2 LYS 7 HG2 LYS 7 7.211 -10.412 1.107
68 HG3 LYS 7 HG3 LYS 7 6.548 -12.006 1.215
69 HD2 LYS 7 HD2 LYS 7 4.657 -10.779 1.607
70 HD3 LYS 7 HD3 LYS 7 5.124 -11.087 3.245
71 HE2 LYS 7 HE2 LYS 7 5.629 -8.508 1.631
72 HE3 LYS 7 HE3 LYS 7 4.412 -8.717 2.871
73 HZ1 LYS 7 HZ1 LYS 7 6.270 -7.598 3.780
74 HZ2 LYS 7 HZ2 LYS 7 7.329 -8.737 3.245
75 HZ3 LYS 7 HZ3 LYS 7 6.252 -9.102 4.450
76 H TRP 8 H TRP 8 9.113 -14.353 2.985
77 HA TRP 8 HA TRP 8 10.121 -15.195 0.383
78 HB2 TRP 8 HB2 TRP 8 10.398 -16.205 2.940
79 HB3 TRP 8 HB3 TRP 8 9.055 -17.171 2.416
80 HD1 TRP 8 HD1 TRP 8 9.574 -19.033 0.604
81 HE1 TRP 8 HE1 TRP 8 11.738 -20.096 -0.258
82 HE3 TRP 8 HE3 TRP 8 12.898 -15.556 2.333
83 HZ2 TRP 8 HZ2 TRP 8 14.581 -19.451 -0.279
84 HZ3 TRP 8 HZ3 TRP 8 15.325 -15.797 1.882
85 HH2 TRP 8 HH2 TRP 8 16.173 -17.736 0.576
86 H THR 9 H THR 9 9.051 -16.791 -0.923
87 HA THR 9 HA THR 9 6.240 -16.374 -1.406
88 HB THR 9 HB THR 9 6.825 -18.273 -3.110
89 HG21 THR 9 HG21 THR 9 8.533 -15.743 -3.381
90 HG22 THR 9 HG22 THR 9 6.806 -15.796 -3.610
91 HG23 THR 9 HG23 THR 9 7.793 -16.741 -4.662
92 HA PRO 10 HA PRO 10 4.675 -19.766 1.056
93 HB2 PRO 10 HB2 PRO 10 2.354 -20.476 -0.211
94 HB3 PRO 10 HB3 PRO 10 2.594 -18.895 0.501
95 HG2 PRO 10 HG2 PRO 10 2.939 -19.662 -2.401
96 HG3 PRO 10 HG3 PRO 10 2.024 -18.299 -1.761
97 HD2 PRO 10 HD2 PRO 10 4.601 -18.034 -2.682
98 HD3 PRO 10 HD3 PRO 10 4.008 -17.057 -1.333
99 H TRP 11 H TRP 11 6.819 -20.743 0.027
100 HA TRP 11 HA TRP 11 6.714 -22.735 -1.959
101 HB2 TRP 11 HB2 TRP 11 8.664 -21.347 -0.655
102 HB3 TRP 11 HB3 TRP 11 8.837 -22.826 0.227
103 HD1 TRP 11 HD1 TRP 11 9.314 -21.181 -3.092
104 HE1 TRP 11 HE1 TRP 11 10.804 -22.576 -4.636
105 HE3 TRP 11 HE3 TRP 11 9.532 -25.462 -0.306
106 HZ2 TRP 11 HZ2 TRP 11 11.994 -25.241 -4.631
107 HZ3 TRP 11 HZ3 TRP 11 10.851 -27.412 -1.090
108 HH2 TRP 11 HH2 TRP 11 12.080 -27.310 -3.250
109 H ARG 12 H ARG 12 5.731 -22.966 1.300
110 HA ARG 12 HA ARG 12 6.126 -25.889 1.637
111 HB2 ARG 12 HB2 ARG 12 6.377 -24.247 3.544
112 HB3 ARG 12 HB3 ARG 12 4.698 -23.814 3.395
113 HG2 ARG 12 HG2 ARG 12 4.060 -26.206 3.932
114 HG3 ARG 12 HG3 ARG 12 5.752 -26.614 4.049
115 HD2 ARG 12 HD2 ARG 12 5.965 -24.915 5.954
116 HD3 ARG 12 HD3 ARG 12 4.252 -24.632 5.831
117 HE ARG 12 HE ARG 12 3.737 -26.759 6.576
118 HH11 ARG 12 HH11 ARG 12 7.252 -26.199 6.717
119 HH12 ARG 12 HH12 ARG 12 7.578 -27.457 7.837
120 HH21 ARG 12 HH21 ARG 12 4.156 -28.502 8.076
121 HH22 ARG 12 HH22 ARG 12 5.741 -28.801 8.646
122 H ARG 13 H ARG 13 5.005 -26.124 -0.339
123 HA ARG 13 HA ARG 13 2.786 -25.760 -1.496
124 HB2 ARG 13 HB2 ARG 13 4.592 -27.067 -2.288
125 HB3 ARG 13 HB3 ARG 13 4.264 -28.385 -1.223
126 HG2 ARG 13 HG2 ARG 13 2.135 -27.676 -3.265
127 HG3 ARG 13 HG3 ARG 13 3.629 -28.326 -3.843
128 HD2 ARG 13 HD2 ARG 13 3.443 -30.380 -2.633
129 HD3 ARG 13 HD3 ARG 13 2.122 -29.838 -1.652
130 HE ARG 13 HE ARG 13 2.074 -30.811 -4.376
131 HH11 ARG 13 HH11 ARG 13 0.209 -28.813 -2.062
132 HH12 ARG 13 HH12 ARG 13 -1.332 -29.252 -2.689
133 HH21 ARG 13 HH21 ARG 13 -0.025 -31.387 -5.252
134 HH22 ARG 13 HH22 ARG 13 -1.454 -30.710 -4.592
135 HN1 NH2 14 HN1 NH2 14 0.303 -26.857 1.174
136 HN2 NH2 14 HN2 NH2 14 1.818 -25.956 1.337
137 H2 BGC 101 H2 BGC 101 9.711 -17.444 -4.986
138 H3 BGC 101 H3 BGC 101 12.282 -18.876 -4.267
139 H4 BGC 101 H4 BGC 101 11.673 -15.934 -4.777
140 H5 BGC 101 H5 BGC 101 12.522 -17.282 -2.165
141 H6C1 BGC 101 H6C1 BGC 101 11.645 -14.393 -2.724
142 H6C2 BGC 101 H6C2 BGC 101 13.318 -14.874 -2.567
143 H1 BGC 101 H1 BGC 101 10.682 -18.758 -2.389
144 HB BGC 101 HB BGC 101 10.017 -19.565 -5.790
145 HC BGC 101 HC BGC 101 12.823 -17.819 -6.333
146 HD BGC 101 HD BGC 101 14.118 -17.241 -4.082
147 H6 BGC 101 H6 BGC 101 12.811 -15.640 -0.428
Start of MODEL 6
1 H1 ILE 1 H1 ILE 1 1.963 2.331 -0.335
2 HA ILE 1 HA ILE 1 3.856 2.855 -2.468
3 HB ILE 1 HB ILE 1 5.591 2.318 -0.777
4 HG12 ILE 1 HG12 ILE 1 3.484 2.629 1.416
5 HG13 ILE 1 HG13 ILE 1 4.081 1.085 0.876
6 HG21 ILE 1 HG21 ILE 1 3.999 4.786 0.077
7 HG22 ILE 1 HG22 ILE 1 5.723 4.517 0.245
8 HG23 ILE 1 HG23 ILE 1 5.037 4.701 -1.349
9 HD11 ILE 1 HD11 ILE 1 6.422 1.744 1.520
10 HD12 ILE 1 HD12 ILE 1 5.790 3.254 2.177
11 HD13 ILE 1 HD13 ILE 1 5.297 1.723 2.870
12 H LEU 2 H LEU 2 5.351 0.742 -2.593
13 HA LEU 2 HA LEU 2 3.786 -1.710 -2.062
14 HB2 LEU 2 HB2 LEU 2 3.368 -0.711 -4.377
15 HB3 LEU 2 HB3 LEU 2 5.014 -1.075 -4.778
16 HG LEU 2 HG LEU 2 2.964 -3.139 -3.832
17 HD11 LEU 2 HD11 LEU 2 3.763 -2.459 -6.699
18 HD12 LEU 2 HD12 LEU 2 2.210 -2.099 -5.949
19 HD13 LEU 2 HD13 LEU 2 2.690 -3.765 -6.210
20 HD21 LEU 2 HD21 LEU 2 5.222 -4.050 -3.528
21 HD22 LEU 2 HD22 LEU 2 5.710 -3.514 -5.135
22 HD23 LEU 2 HD23 LEU 2 4.518 -4.792 -4.945
23 HA PRO 3 HA PRO 3 8.226 -2.219 -0.883
24 HB2 PRO 3 HB2 PRO 3 7.910 -4.018 1.167
25 HB3 PRO 3 HB3 PRO 3 7.553 -2.307 1.355
26 HG2 PRO 3 HG2 PRO 3 5.605 -4.555 0.842
27 HG3 PRO 3 HG3 PRO 3 5.448 -3.246 2.005
28 HD2 PRO 3 HD2 PRO 3 4.258 -3.236 -0.499
29 HD3 PRO 3 HD3 PRO 3 4.724 -1.733 0.314
30 H TRP 4 H TRP 4 9.542 -3.586 -2.055
31 HA TRP 4 HA TRP 4 8.947 -6.447 -2.238
32 HB2 TRP 4 HB2 TRP 4 8.076 -4.783 -4.324
33 HB3 TRP 4 HB3 TRP 4 9.575 -5.371 -4.930
34 HD1 TRP 4 HD1 TRP 4 6.063 -6.324 -4.183
35 HE1 TRP 4 HE1 TRP 4 5.462 -8.312 -5.644
36 HE3 TRP 4 HE3 TRP 4 10.770 -7.830 -5.492
37 HZ2 TRP 4 HZ2 TRP 4 6.865 -10.580 -6.898
38 HZ3 TRP 4 HZ3 TRP 4 11.114 -9.903 -6.786
39 HH2 TRP 4 HH2 TRP 4 9.173 -11.278 -7.500
40 H LYS 5 H LYS 5 11.047 -4.735 -0.976
41 HA LYS 5 HA LYS 5 13.544 -5.382 -2.469
42 HB2 LYS 5 HB2 LYS 5 13.130 -4.157 0.315
43 HB3 LYS 5 HB3 LYS 5 14.656 -4.386 -0.521
44 HG2 LYS 5 HG2 LYS 5 13.639 -2.853 -2.380
45 HG3 LYS 5 HG3 LYS 5 12.484 -2.381 -1.168
46 HD2 LYS 5 HD2 LYS 5 15.536 -2.051 -1.091
47 HD3 LYS 5 HD3 LYS 5 14.340 -0.808 -1.232
48 HE2 LYS 5 HE2 LYS 5 15.032 -0.613 1.008
49 HE3 LYS 5 HE3 LYS 5 13.505 -1.455 1.145
50 HZ1 LYS 5 HZ1 LYS 5 14.784 -3.521 1.340
51 HZ2 LYS 5 HZ2 LYS 5 15.210 -2.444 2.504
52 HZ3 LYS 5 HZ3 LYS 5 16.194 -2.689 1.211
53 H TRP 6 H TRP 6 12.551 -7.617 -2.299
54 HA TRP 6 HA TRP 6 12.918 -9.754 -1.760
55 HB2 TRP 6 HB2 TRP 6 14.896 -9.227 -0.222
56 HB3 TRP 6 HB3 TRP 6 13.750 -9.084 1.082
57 HD1 TRP 6 HD1 TRP 6 13.585 -11.928 -1.511
58 HE1 TRP 6 HE1 TRP 6 14.029 -14.147 -0.334
59 HE3 TRP 6 HE3 TRP 6 14.799 -10.146 3.140
60 HZ2 TRP 6 HZ2 TRP 6 14.844 -15.057 2.306
61 HZ3 TRP 6 HZ3 TRP 6 15.444 -11.710 4.952
62 HH2 TRP 6 HH2 TRP 6 15.484 -14.161 4.539
63 H LYS 7 H LYS 7 11.490 -11.343 -0.637
64 HA LYS 7 HA LYS 7 9.367 -10.534 0.994
65 HB2 LYS 7 HB2 LYS 7 7.480 -10.706 -0.645
66 HB3 LYS 7 HB3 LYS 7 8.441 -9.292 -0.799
67 HG2 LYS 7 HG2 LYS 7 8.290 -9.754 -3.018
68 HG3 LYS 7 HG3 LYS 7 9.756 -10.582 -2.709
69 HD2 LYS 7 HD2 LYS 7 8.391 -11.994 -4.091
70 HD3 LYS 7 HD3 LYS 7 8.545 -12.775 -2.554
71 HE2 LYS 7 HE2 LYS 7 6.225 -12.914 -3.447
72 HE3 LYS 7 HE3 LYS 7 6.252 -12.116 -1.899
73 HZ1 LYS 7 HZ1 LYS 7 4.909 -10.958 -3.532
74 HZ2 LYS 7 HZ2 LYS 7 6.243 -10.689 -4.479
75 HZ3 LYS 7 HZ3 LYS 7 6.151 -10.008 -3.004
76 H TRP 8 H TRP 8 8.000 -12.314 1.517
77 HA TRP 8 HA TRP 8 9.358 -14.909 1.226
78 HB2 TRP 8 HB2 TRP 8 8.250 -13.585 3.378
79 HB3 TRP 8 HB3 TRP 8 6.838 -14.459 2.876
80 HD1 TRP 8 HD1 TRP 8 6.699 -16.866 3.760
81 HE1 TRP 8 HE1 TRP 8 8.247 -18.476 5.009
82 HE3 TRP 8 HE3 TRP 8 11.019 -14.128 3.560
83 HZ2 TRP 8 HZ2 TRP 8 11.021 -18.527 5.901
84 HZ3 TRP 8 HZ3 TRP 8 13.079 -14.954 4.656
85 HH2 TRP 8 HH2 TRP 8 13.095 -17.154 5.817
86 H THR 9 H THR 9 7.802 -16.844 1.106
87 HA THR 9 HA THR 9 5.389 -16.474 -0.544
88 HB THR 9 HB THR 9 6.119 -18.665 -1.686
89 HG21 THR 9 HG21 THR 9 7.500 -17.554 -3.450
90 HG22 THR 9 HG22 THR 9 7.536 -16.080 -2.477
91 HG23 THR 9 HG23 THR 9 6.014 -16.702 -3.061
92 HA PRO 10 HA PRO 10 3.768 -19.180 2.589
93 HB2 PRO 10 HB2 PRO 10 1.533 -20.262 1.399
94 HB3 PRO 10 HB3 PRO 10 1.660 -18.558 1.805
95 HG2 PRO 10 HG2 PRO 10 2.134 -19.853 -0.882
96 HG3 PRO 10 HG3 PRO 10 1.183 -18.410 -0.545
97 HD2 PRO 10 HD2 PRO 10 3.800 -18.309 -1.433
98 HD3 PRO 10 HD3 PRO 10 3.138 -17.070 -0.356
99 H TRP 11 H TRP 11 3.610 -21.373 3.242
100 HA TRP 11 HA TRP 11 5.401 -23.222 1.977
101 HB2 TRP 11 HB2 TRP 11 4.884 -22.752 4.508
102 HB3 TRP 11 HB3 TRP 11 3.502 -23.792 4.313
103 HD1 TRP 11 HD1 TRP 11 4.006 -26.176 5.006
104 HE1 TRP 11 HE1 TRP 11 6.089 -27.653 5.327
105 HE3 TRP 11 HE3 TRP 11 7.569 -22.956 3.220
106 HZ2 TRP 11 HZ2 TRP 11 8.940 -27.469 4.824
107 HZ3 TRP 11 HZ3 TRP 11 9.952 -23.626 3.160
108 HH2 TRP 11 HH2 TRP 11 10.646 -25.876 3.961
109 H ARG 12 H ARG 12 3.054 -22.637 0.367
110 HA ARG 12 HA ARG 12 2.401 -25.322 -0.484
111 HB2 ARG 12 HB2 ARG 12 0.150 -23.285 -0.116
112 HB3 ARG 12 HB3 ARG 12 -0.007 -24.826 -0.899
113 HG2 ARG 12 HG2 ARG 12 0.594 -24.392 2.070
114 HG3 ARG 12 HG3 ARG 12 -0.959 -24.764 1.418
115 HD2 ARG 12 HD2 ARG 12 1.430 -26.660 1.090
116 HD3 ARG 12 HD3 ARG 12 0.352 -26.711 2.461
117 HE ARG 12 HE ARG 12 -1.364 -26.802 0.345
118 HH11 ARG 12 HH11 ARG 12 1.397 -28.745 1.428
119 HH12 ARG 12 HH12 ARG 12 0.822 -30.248 0.827
120 HH21 ARG 12 HH21 ARG 12 -2.178 -28.827 -0.553
121 HH22 ARG 12 HH22 ARG 12 -1.295 -30.280 -0.358
122 H ARG 13 H ARG 13 3.255 -25.226 -2.459
123 HA ARG 13 HA ARG 13 4.083 -22.734 -3.631
124 HB2 ARG 13 HB2 ARG 13 5.267 -25.031 -3.522
125 HB3 ARG 13 HB3 ARG 13 4.242 -25.576 -4.808
126 HG2 ARG 13 HG2 ARG 13 6.135 -23.165 -4.974
127 HG3 ARG 13 HG3 ARG 13 6.589 -24.791 -5.393
128 HD2 ARG 13 HD2 ARG 13 4.696 -24.785 -7.144
129 HD3 ARG 13 HD3 ARG 13 4.555 -23.052 -6.854
130 HE ARG 13 HE ARG 13 7.257 -23.621 -7.327
131 HH11 ARG 13 HH11 ARG 13 4.174 -23.660 -9.087
132 HH12 ARG 13 HH12 ARG 13 4.832 -23.245 -10.618
133 HH21 ARG 13 HH21 ARG 13 8.212 -23.121 -9.412
134 HH22 ARG 13 HH22 ARG 13 7.229 -22.961 -10.804
135 HN1 NH2 14 HN1 NH2 14 0.820 -22.356 -5.242
136 HN2 NH2 14 HN2 NH2 14 1.621 -22.121 -3.683
137 H2 BGC 101 H2 BGC 101 10.232 -19.317 0.139
138 H3 BGC 101 H3 BGC 101 11.498 -16.554 -0.205
139 H4 BGC 101 H4 BGC 101 12.208 -19.213 -1.522
140 H5 BGC 101 H5 BGC 101 11.060 -16.631 -2.709
141 H6C1 BGC 101 H6C1 BGC 101 11.670 -19.337 -4.020
142 H6C2 BGC 101 H6C2 BGC 101 12.582 -17.871 -4.308
143 H1 BGC 101 H1 BGC 101 9.127 -16.814 -1.233
144 HB BGC 101 HB BGC 101 10.215 -17.900 1.941
145 HC BGC 101 HC BGC 101 13.208 -17.422 0.867
146 HD BGC 101 HD BGC 101 14.047 -18.109 -1.187
147 H6 BGC 101 H6 BGC 101 10.720 -16.921 -5.196
Start of MODEL 7
1 H1 ILE 1 H1 ILE 1 4.797 1.670 -5.405
2 HA ILE 1 HA ILE 1 3.931 -0.576 -5.542
3 HB ILE 1 HB ILE 1 6.093 -1.736 -5.958
4 HG12 ILE 1 HG12 ILE 1 7.524 0.744 -4.885
5 HG13 ILE 1 HG13 ILE 1 7.406 -0.772 -4.029
6 HG21 ILE 1 HG21 ILE 1 6.155 1.104 -7.093
7 HG22 ILE 1 HG22 ILE 1 6.822 -0.349 -7.810
8 HG23 ILE 1 HG23 ILE 1 5.094 -0.183 -7.666
9 HD11 ILE 1 HD11 ILE 1 9.559 -0.677 -5.131
10 HD12 ILE 1 HD12 ILE 1 8.611 -1.937 -5.907
11 HD13 ILE 1 HD13 ILE 1 8.837 -0.375 -6.698
12 H LEU 2 H LEU 2 4.614 -2.938 -4.646
13 HA LEU 2 HA LEU 2 3.970 -2.966 -1.785
14 HB2 LEU 2 HB2 LEU 2 4.451 -5.084 -3.964
15 HB3 LEU 2 HB3 LEU 2 4.320 -5.519 -2.294
16 HG LEU 2 HG LEU 2 2.045 -4.449 -2.177
17 HD11 LEU 2 HD11 LEU 2 0.786 -4.189 -4.337
18 HD12 LEU 2 HD12 LEU 2 2.294 -4.323 -5.226
19 HD13 LEU 2 HD13 LEU 2 2.007 -2.962 -4.135
20 HD21 LEU 2 HD21 LEU 2 2.369 -6.781 -4.121
21 HD22 LEU 2 HD22 LEU 2 0.916 -6.384 -3.214
22 HD23 LEU 2 HD23 LEU 2 2.359 -6.901 -2.363
23 HA PRO 3 HA PRO 3 8.321 -3.453 -0.639
24 HB2 PRO 3 HB2 PRO 3 8.159 -4.822 1.751
25 HB3 PRO 3 HB3 PRO 3 7.688 -3.141 1.566
26 HG2 PRO 3 HG2 PRO 3 5.898 -5.566 1.591
27 HG3 PRO 3 HG3 PRO 3 5.642 -4.032 2.419
28 HD2 PRO 3 HD2 PRO 3 4.448 -4.668 0.000
29 HD3 PRO 3 HD3 PRO 3 4.856 -3.002 0.432
30 H TRP 4 H TRP 4 9.736 -4.786 -1.573
31 HA TRP 4 HA TRP 4 9.002 -7.180 -2.828
32 HB2 TRP 4 HB2 TRP 4 10.822 -5.430 -3.399
33 HB3 TRP 4 HB3 TRP 4 11.862 -6.201 -2.244
34 HD1 TRP 4 HD1 TRP 4 9.998 -6.899 -5.516
35 HE1 TRP 4 HE1 TRP 4 11.401 -8.448 -6.988
36 HE3 TRP 4 HE3 TRP 4 13.728 -8.020 -2.180
37 HZ2 TRP 4 HZ2 TRP 4 13.809 -10.064 -6.728
38 HZ3 TRP 4 HZ3 TRP 4 15.550 -9.569 -2.818
39 HH2 TRP 4 HH2 TRP 4 15.599 -10.595 -5.083
40 H LYS 5 H LYS 5 10.464 -6.657 0.238
41 HA LYS 5 HA LYS 5 11.097 -7.795 2.031
42 HB2 LYS 5 HB2 LYS 5 9.415 -10.047 0.815
43 HB3 LYS 5 HB3 LYS 5 10.119 -10.123 2.395
44 HG2 LYS 5 HG2 LYS 5 8.813 -8.056 3.078
45 HG3 LYS 5 HG3 LYS 5 7.994 -8.121 1.530
46 HD2 LYS 5 HD2 LYS 5 7.285 -10.457 2.015
47 HD3 LYS 5 HD3 LYS 5 8.087 -10.386 3.564
48 HE2 LYS 5 HE2 LYS 5 6.524 -8.635 4.363
49 HE3 LYS 5 HE3 LYS 5 5.648 -8.701 2.845
50 HZ1 LYS 5 HZ1 LYS 5 4.803 -10.111 4.777
51 HZ2 LYS 5 HZ2 LYS 5 6.048 -11.149 4.438
52 HZ3 LYS 5 HZ3 LYS 5 4.912 -10.860 3.325
53 H TRP 6 H TRP 6 12.374 -9.663 2.953
54 HA TRP 6 HA TRP 6 14.538 -10.635 1.239
55 HB2 TRP 6 HB2 TRP 6 15.250 -11.730 3.378
56 HB3 TRP 6 HB3 TRP 6 15.074 -10.018 3.515
57 HD1 TRP 6 HD1 TRP 6 14.016 -13.171 5.070
58 HE1 TRP 6 HE1 TRP 6 12.420 -12.759 7.040
59 HE3 TRP 6 HE3 TRP 6 13.042 -8.194 4.306
60 HZ2 TRP 6 HZ2 TRP 6 10.812 -10.582 8.068
61 HZ3 TRP 6 HZ3 TRP 6 11.471 -6.982 5.789
62 HH2 TRP 6 HH2 TRP 6 10.343 -8.166 7.662
63 H LYS 7 H LYS 7 11.895 -11.373 0.461
64 HA LYS 7 HA LYS 7 10.709 -13.014 -0.456
65 HB2 LYS 7 HB2 LYS 7 12.961 -14.935 0.128
66 HB3 LYS 7 HB3 LYS 7 11.662 -15.182 -0.990
67 HG2 LYS 7 HG2 LYS 7 13.871 -13.063 -1.241
68 HG3 LYS 7 HG3 LYS 7 13.730 -14.537 -2.126
69 HD2 LYS 7 HD2 LYS 7 12.965 -13.068 -3.704
70 HD3 LYS 7 HD3 LYS 7 11.445 -13.599 -3.036
71 HE2 LYS 7 HE2 LYS 7 11.393 -11.449 -1.629
72 HE3 LYS 7 HE3 LYS 7 12.942 -11.009 -2.278
73 HZ1 LYS 7 HZ1 LYS 7 11.951 -10.607 -4.327
74 HZ2 LYS 7 HZ2 LYS 7 10.929 -10.021 -3.186
75 HZ3 LYS 7 HZ3 LYS 7 10.551 -11.426 -3.952
76 H TRP 8 H TRP 8 10.971 -12.736 2.591
77 HA TRP 8 HA TRP 8 9.329 -14.668 3.794
78 HB2 TRP 8 HB2 TRP 8 10.852 -12.814 4.702
79 HB3 TRP 8 HB3 TRP 8 9.576 -11.680 4.458
80 HD1 TRP 8 HD1 TRP 8 7.869 -11.505 6.405
81 HE1 TRP 8 HE1 TRP 8 7.653 -12.606 8.733
82 HE3 TRP 8 HE3 TRP 8 11.310 -15.252 5.855
83 HZ2 TRP 8 HZ2 TRP 8 8.855 -14.804 10.169
84 HZ3 TRP 8 HZ3 TRP 8 11.787 -16.805 7.728
85 HH2 TRP 8 HH2 TRP 8 10.564 -16.590 9.881
86 H THR 9 H THR 9 8.224 -13.993 1.281
87 HA THR 9 HA THR 9 5.670 -14.465 1.962
88 HB THR 9 HB THR 9 5.681 -11.826 1.980
89 HG21 THR 9 HG21 THR 9 4.703 -12.091 -0.851
90 HG22 THR 9 HG22 THR 9 6.182 -11.288 -0.339
91 HG23 THR 9 HG23 THR 9 4.617 -10.684 0.189
92 HA PRO 10 HA PRO 10 7.154 -16.097 -2.109
93 HB2 PRO 10 HB2 PRO 10 6.830 -18.763 -1.657
94 HB3 PRO 10 HB3 PRO 10 8.212 -17.879 -1.032
95 HG2 PRO 10 HG2 PRO 10 5.702 -18.647 0.466
96 HG3 PRO 10 HG3 PRO 10 7.370 -18.817 1.007
97 HD2 PRO 10 HD2 PRO 10 5.737 -16.691 1.719
98 HD3 PRO 10 HD3 PRO 10 7.496 -16.517 1.596
99 H TRP 11 H TRP 11 5.684 -16.301 -3.815
100 HA TRP 11 HA TRP 11 2.791 -16.523 -3.265
101 HB2 TRP 11 HB2 TRP 11 4.088 -14.893 -4.907
102 HB3 TRP 11 HB3 TRP 11 4.103 -16.233 -6.017
103 HD1 TRP 11 HD1 TRP 11 0.919 -16.971 -4.984
104 HE1 TRP 11 HE1 TRP 11 -0.955 -15.587 -6.011
105 HE3 TRP 11 HE3 TRP 11 3.690 -13.013 -6.708
106 HZ2 TRP 11 HZ2 TRP 11 -1.248 -13.038 -7.370
107 HZ3 TRP 11 HZ3 TRP 11 2.580 -11.134 -7.882
108 HH2 TRP 11 HH2 TRP 11 0.116 -11.135 -8.215
109 H ARG 12 H ARG 12 4.366 -18.838 -2.673
110 HA ARG 12 HA ARG 12 2.889 -20.864 -3.839
111 HB2 ARG 12 HB2 ARG 12 4.570 -22.218 -5.011
112 HB3 ARG 12 HB3 ARG 12 4.340 -20.708 -5.797
113 HG2 ARG 12 HG2 ARG 12 6.619 -20.969 -5.935
114 HG3 ARG 12 HG3 ARG 12 6.479 -19.857 -4.607
115 HD2 ARG 12 HD2 ARG 12 7.164 -21.495 -2.999
116 HD3 ARG 12 HD3 ARG 12 6.572 -22.818 -3.997
117 HE ARG 12 HE ARG 12 8.768 -21.401 -5.201
118 HH11 ARG 12 HH11 ARG 12 7.967 -23.963 -2.813
119 HH12 ARG 12 HH12 ARG 12 9.392 -24.876 -3.110
120 HH21 ARG 12 HH21 ARG 12 10.711 -22.672 -5.598
121 HH22 ARG 12 HH22 ARG 12 11.032 -24.064 -4.664
122 H ARG 13 H ARG 13 3.704 -23.039 -2.824
123 HA ARG 13 HA ARG 13 4.200 -22.586 0.005
124 HB2 ARG 13 HB2 ARG 13 4.124 -25.117 -1.717
125 HB3 ARG 13 HB3 ARG 13 4.289 -25.153 0.008
126 HG2 ARG 13 HG2 ARG 13 1.889 -23.813 -1.352
127 HG3 ARG 13 HG3 ARG 13 1.925 -25.509 -1.013
128 HD2 ARG 13 HD2 ARG 13 2.323 -23.417 1.189
129 HD3 ARG 13 HD3 ARG 13 0.752 -24.039 0.728
130 HE ARG 13 HE ARG 13 2.162 -26.315 1.112
131 HH11 ARG 13 HH11 ARG 13 1.331 -23.525 3.190
132 HH12 ARG 13 HH12 ARG 13 1.406 -24.406 4.656
133 HH21 ARG 13 HH21 ARG 13 2.259 -27.513 3.116
134 HH22 ARG 13 HH22 ARG 13 1.915 -26.744 4.602
135 HN1 NH2 14 HN1 NH2 14 7.727 -22.757 0.177
136 HN2 NH2 14 HN2 NH2 14 6.233 -22.050 0.742
137 H2 BGC 101 H2 BGC 101 1.420 -13.332 2.315
138 H3 BGC 101 H3 BGC 101 1.831 -16.113 1.113
139 H4 BGC 101 H4 BGC 101 -0.038 -13.881 0.222
140 H5 BGC 101 H5 BGC 101 2.470 -15.002 -1.127
141 H6C1 BGC 101 H6C1 BGC 101 2.204 -13.258 -2.794
142 H6C2 BGC 101 H6C2 BGC 101 0.800 -12.593 -1.982
143 H1 BGC 101 H1 BGC 101 3.757 -14.540 0.763
144 HB BGC 101 HB BGC 101 1.923 -15.160 3.669
145 HC BGC 101 HC BGC 101 -0.462 -16.155 1.589
146 HD BGC 101 HD BGC 101 -0.210 -15.441 -1.544
147 H6 BGC 101 H6 BGC 101 0.458 -14.131 -3.864
Start of MODEL 8
1 H1 ILE 1 H1 ILE 1 3.391 2.602 1.475
2 HA ILE 1 HA ILE 1 3.738 2.936 -1.376
3 HB ILE 1 HB ILE 1 6.178 2.678 -0.867
4 HG12 ILE 1 HG12 ILE 1 5.562 3.419 2.035
5 HG13 ILE 1 HG13 ILE 1 5.888 1.785 1.522
6 HG21 ILE 1 HG21 ILE 1 5.184 4.906 -1.421
7 HG22 ILE 1 HG22 ILE 1 5.004 5.257 0.298
8 HG23 ILE 1 HG23 ILE 1 6.595 5.047 -0.407
9 HD11 ILE 1 HD11 ILE 1 7.927 2.775 2.405
10 HD12 ILE 1 HD12 ILE 1 8.143 2.446 0.694
11 HD13 ILE 1 HD13 ILE 1 7.864 4.097 1.257
12 H LEU 2 H LEU 2 5.067 0.920 -2.141
13 HA LEU 2 HA LEU 2 3.939 -1.532 -0.882
14 HB2 LEU 2 HB2 LEU 2 5.036 -0.775 -3.646
15 HB3 LEU 2 HB3 LEU 2 5.087 -2.423 -3.130
16 HG LEU 2 HG LEU 2 2.639 -2.444 -2.728
17 HD11 LEU 2 HD11 LEU 2 2.652 0.317 -4.048
18 HD12 LEU 2 HD12 LEU 2 2.082 -0.072 -2.419
19 HD13 LEU 2 HD13 LEU 2 1.222 -0.680 -3.813
20 HD21 LEU 2 HD21 LEU 2 2.030 -2.630 -5.111
21 HD22 LEU 2 HD22 LEU 2 3.608 -3.335 -4.820
22 HD23 LEU 2 HD23 LEU 2 3.482 -1.750 -5.578
23 HA PRO 3 HA PRO 3 8.097 -2.436 0.588
24 HB2 PRO 3 HB2 PRO 3 8.110 -5.186 0.725
25 HB3 PRO 3 HB3 PRO 3 7.139 -4.172 1.774
26 HG2 PRO 3 HG2 PRO 3 6.238 -5.617 -0.721
27 HG3 PRO 3 HG3 PRO 3 5.426 -5.556 0.834
28 HD2 PRO 3 HD2 PRO 3 4.751 -3.929 -1.294
29 HD3 PRO 3 HD3 PRO 3 4.568 -3.393 0.380
30 H TRP 4 H TRP 4 9.056 -1.506 -1.305
31 HA TRP 4 HA TRP 4 9.651 -2.557 -3.732
32 HB2 TRP 4 HB2 TRP 4 10.938 -0.470 -1.960
33 HB3 TRP 4 HB3 TRP 4 11.793 -0.894 -3.396
34 HD1 TRP 4 HD1 TRP 4 10.100 -0.950 -5.704
35 HE1 TRP 4 HE1 TRP 4 8.771 1.072 -6.554
36 HE3 TRP 4 HE3 TRP 4 9.726 1.675 -1.317
37 HZ2 TRP 4 HZ2 TRP 4 7.727 3.549 -5.477
38 HZ3 TRP 4 HZ3 TRP 4 8.616 3.889 -1.276
39 HH2 TRP 4 HH2 TRP 4 7.611 4.834 -3.348
40 H LYS 5 H LYS 5 10.684 -4.415 -1.351
41 HA LYS 5 HA LYS 5 12.342 -5.860 -3.030
42 HB2 LYS 5 HB2 LYS 5 13.886 -3.961 -1.523
43 HB3 LYS 5 HB3 LYS 5 14.267 -5.487 -0.836
44 HG2 LYS 5 HG2 LYS 5 15.337 -6.275 -2.723
45 HG3 LYS 5 HG3 LYS 5 14.285 -5.489 -3.847
46 HD2 LYS 5 HD2 LYS 5 16.385 -3.949 -2.264
47 HD3 LYS 5 HD3 LYS 5 16.664 -4.677 -3.827
48 HE2 LYS 5 HE2 LYS 5 14.716 -3.308 -4.777
49 HE3 LYS 5 HE3 LYS 5 14.627 -2.462 -3.246
50 HZ1 LYS 5 HZ1 LYS 5 16.947 -2.514 -5.057
51 HZ2 LYS 5 HZ2 LYS 5 16.905 -1.726 -3.608
52 HZ3 LYS 5 HZ3 LYS 5 15.902 -1.270 -4.828
53 H TRP 6 H TRP 6 10.072 -6.370 -2.096
54 HA TRP 6 HA TRP 6 9.728 -7.952 0.193
55 HB2 TRP 6 HB2 TRP 6 7.976 -6.918 -1.341
56 HB3 TRP 6 HB3 TRP 6 8.312 -8.146 -2.519
57 HD1 TRP 6 HD1 TRP 6 7.210 -7.918 1.178
58 HE1 TRP 6 HE1 TRP 6 5.430 -9.719 1.641
59 HE3 TRP 6 HE3 TRP 6 7.121 -10.187 -3.417
60 HZ2 TRP 6 HZ2 TRP 6 4.116 -11.847 0.193
61 HZ3 TRP 6 HZ3 TRP 6 5.574 -12.071 -3.855
62 HH2 TRP 6 HH2 TRP 6 4.074 -12.911 -2.060
63 H LYS 7 H LYS 7 9.152 -10.362 0.146
64 HA LYS 7 HA LYS 7 10.792 -12.066 -1.527
65 HB2 LYS 7 HB2 LYS 7 11.273 -11.834 1.483
66 HB3 LYS 7 HB3 LYS 7 11.913 -13.108 0.489
67 HG2 LYS 7 HG2 LYS 7 13.331 -11.547 -0.770
68 HG3 LYS 7 HG3 LYS 7 12.568 -10.183 -0.019
69 HD2 LYS 7 HD2 LYS 7 13.415 -11.117 2.263
70 HD3 LYS 7 HD3 LYS 7 14.449 -12.135 1.300
71 HE2 LYS 7 HE2 LYS 7 15.690 -10.116 1.892
72 HE3 LYS 7 HE3 LYS 7 15.398 -10.064 0.165
73 HZ1 LYS 7 HZ1 LYS 7 14.930 -7.968 1.300
74 HZ2 LYS 7 HZ2 LYS 7 13.741 -8.685 2.182
75 HZ3 LYS 7 HZ3 LYS 7 13.580 -8.515 0.557
76 H TRP 8 H TRP 8 10.110 -14.322 -1.250
77 HA TRP 8 HA TRP 8 7.711 -14.800 0.340
78 HB2 TRP 8 HB2 TRP 8 7.053 -13.821 -1.965
79 HB3 TRP 8 HB3 TRP 8 7.747 -15.240 -2.682
80 HD1 TRP 8 HD1 TRP 8 5.336 -14.885 0.322
81 HE1 TRP 8 HE1 TRP 8 3.189 -16.179 -0.161
82 HE3 TRP 8 HE3 TRP 8 6.469 -16.579 -4.375
83 HZ2 TRP 8 HZ2 TRP 8 2.078 -17.764 -2.350
84 HZ3 TRP 8 HZ3 TRP 8 4.846 -17.947 -5.645
85 HH2 TRP 8 HH2 TRP 8 2.651 -18.543 -4.649
86 H THR 9 H THR 9 7.401 -17.045 0.714
87 HA THR 9 HA THR 9 9.342 -18.947 -0.372
88 HB THR 9 HB THR 9 10.560 -17.905 1.456
89 HG21 THR 9 HG21 THR 9 10.014 -18.140 3.789
90 HG22 THR 9 HG22 THR 9 8.592 -19.123 3.469
91 HG23 THR 9 HG23 THR 9 8.623 -17.424 3.033
92 HA PRO 10 HA PRO 10 5.072 -20.585 0.189
93 HB2 PRO 10 HB2 PRO 10 4.608 -21.557 -2.320
94 HB3 PRO 10 HB3 PRO 10 4.539 -19.841 -1.949
95 HG2 PRO 10 HG2 PRO 10 6.849 -21.354 -3.178
96 HG3 PRO 10 HG3 PRO 10 6.145 -19.843 -3.739
97 HD2 PRO 10 HD2 PRO 10 8.399 -19.946 -2.152
98 HD3 PRO 10 HD3 PRO 10 7.259 -18.599 -2.048
99 H TRP 11 H TRP 11 6.225 -22.048 1.701
100 HA TRP 11 HA TRP 11 7.298 -24.579 0.825
101 HB2 TRP 11 HB2 TRP 11 7.580 -23.209 3.076
102 HB3 TRP 11 HB3 TRP 11 6.184 -24.062 3.637
103 HD1 TRP 11 HD1 TRP 11 9.812 -24.257 3.090
104 HE1 TRP 11 HE1 TRP 11 10.825 -26.490 3.810
105 HE3 TRP 11 HE3 TRP 11 5.481 -26.883 3.890
106 HZ2 TRP 11 HZ2 TRP 11 9.874 -29.119 4.569
107 HZ3 TRP 11 HZ3 TRP 11 5.570 -29.240 4.614
108 HH2 TRP 11 HH2 TRP 11 7.759 -30.374 4.950
109 H ARG 12 H ARG 12 5.350 -24.768 -0.702
110 HA ARG 12 HA ARG 12 3.846 -27.045 -0.074
111 HB2 ARG 12 HB2 ARG 12 1.514 -26.108 -0.229
112 HB3 ARG 12 HB3 ARG 12 2.310 -25.739 1.255
113 HG2 ARG 12 HG2 ARG 12 2.883 -23.419 0.274
114 HG3 ARG 12 HG3 ARG 12 1.872 -23.825 -1.089
115 HD2 ARG 12 HD2 ARG 12 -0.070 -24.169 0.512
116 HD3 ARG 12 HD3 ARG 12 1.003 -23.757 1.837
117 HE ARG 12 HE ARG 12 0.693 -21.834 -0.378
118 HH11 ARG 12 HH11 ARG 12 -0.110 -22.628 2.982
119 HH12 ARG 12 HH12 ARG 12 -0.751 -21.087 3.392
120 HH21 ARG 12 HH21 ARG 12 -0.094 -19.695 0.145
121 HH22 ARG 12 HH22 ARG 12 -0.718 -19.356 1.705
122 H ARG 13 H ARG 13 3.064 -27.922 -1.992
123 HA ARG 13 HA ARG 13 4.105 -26.814 -4.475
124 HB2 ARG 13 HB2 ARG 13 4.130 -29.268 -3.736
125 HB3 ARG 13 HB3 ARG 13 2.401 -29.301 -3.918
126 HG2 ARG 13 HG2 ARG 13 2.824 -28.605 -6.416
127 HG3 ARG 13 HG3 ARG 13 4.504 -28.905 -6.096
128 HD2 ARG 13 HD2 ARG 13 3.986 -31.268 -5.506
129 HD3 ARG 13 HD3 ARG 13 2.273 -30.984 -5.679
130 HE ARG 13 HE ARG 13 4.300 -31.276 -7.752
131 HH11 ARG 13 HH11 ARG 13 0.981 -30.135 -7.159
132 HH12 ARG 13 HH12 ARG 13 0.392 -30.482 -8.733
133 HH21 ARG 13 HH21 ARG 13 3.537 -31.697 -9.945
134 HH22 ARG 13 HH22 ARG 13 1.925 -31.322 -10.381
135 HN1 NH2 14 HN1 NH2 14 0.991 -24.924 -4.853
136 HN2 NH2 14 HN2 NH2 14 2.550 -24.854 -4.012
137 H2 BGC 101 H2 BGC 101 12.616 -21.478 1.663
138 H3 BGC 101 H3 BGC 101 11.501 -22.803 4.186
139 H4 BGC 101 H4 BGC 101 14.070 -21.200 3.850
140 H5 BGC 101 H5 BGC 101 11.496 -20.431 5.315
141 H6C1 BGC 101 H6C1 BGC 101 14.031 -18.804 4.773
142 H6C2 BGC 101 H6C2 BGC 101 13.596 -19.466 6.334
143 H1 BGC 101 H1 BGC 101 10.199 -20.750 3.414
144 HB BGC 101 HB BGC 101 11.441 -23.481 1.463
145 HC BGC 101 HC BGC 101 13.880 -23.305 2.684
146 HD BGC 101 HD BGC 101 13.852 -23.022 5.371
147 H6 BGC 101 H6 BGC 101 11.730 -18.163 6.331
Start of MODEL 9
1 H1 ILE 1 H1 ILE 1 1.496 3.823 -4.376
2 HA ILE 1 HA ILE 1 3.725 3.430 -4.884
3 HB ILE 1 HB ILE 1 5.488 4.719 -3.638
4 HG12 ILE 1 HG12 ILE 1 3.321 6.774 -2.964
5 HG13 ILE 1 HG13 ILE 1 4.006 5.664 -1.809
6 HG21 ILE 1 HG21 ILE 1 3.850 6.498 -5.512
7 HG22 ILE 1 HG22 ILE 1 5.573 6.588 -5.196
8 HG23 ILE 1 HG23 ILE 1 4.927 5.203 -6.035
9 HD11 ILE 1 HD11 ILE 1 5.121 7.798 -1.577
10 HD12 ILE 1 HD12 ILE 1 6.290 6.648 -2.206
11 HD13 ILE 1 HD13 ILE 1 5.559 7.848 -3.272
12 H LEU 2 H LEU 2 5.076 2.026 -3.429
13 HA LEU 2 HA LEU 2 4.259 1.711 -0.681
14 HB2 LEU 2 HB2 LEU 2 3.911 -0.536 -2.745
15 HB3 LEU 2 HB3 LEU 2 4.126 -0.832 -1.068
16 HG LEU 2 HG LEU 2 2.019 0.940 -0.929
17 HD11 LEU 2 HD11 LEU 2 0.340 0.279 -2.613
18 HD12 LEU 2 HD12 LEU 2 1.494 -0.786 -3.404
19 HD13 LEU 2 HD13 LEU 2 1.734 0.955 -3.443
20 HD21 LEU 2 HD21 LEU 2 0.615 -1.037 -0.464
21 HD22 LEU 2 HD22 LEU 2 2.187 -1.189 0.302
22 HD23 LEU 2 HD23 LEU 2 1.834 -2.094 -1.169
23 HA PRO 3 HA PRO 3 8.674 0.640 -0.781
24 HB2 PRO 3 HB2 PRO 3 8.998 -0.681 1.604
25 HB3 PRO 3 HB3 PRO 3 8.729 1.053 1.512
26 HG2 PRO 3 HG2 PRO 3 6.696 -1.097 2.116
27 HG3 PRO 3 HG3 PRO 3 6.907 0.449 2.945
28 HD2 PRO 3 HD2 PRO 3 5.000 0.011 0.975
29 HD3 PRO 3 HD3 PRO 3 5.727 1.603 1.239
30 H TRP 4 H TRP 4 9.597 -1.000 -1.946
31 HA TRP 4 HA TRP 4 8.112 -3.397 -2.604
32 HB2 TRP 4 HB2 TRP 4 9.875 -1.859 -3.990
33 HB3 TRP 4 HB3 TRP 4 11.043 -2.957 -3.330
34 HD1 TRP 4 HD1 TRP 4 10.815 -5.541 -4.133
35 HE1 TRP 4 HE1 TRP 4 9.839 -6.567 -6.280
36 HE3 TRP 4 HE3 TRP 4 8.006 -1.571 -5.725
37 HZ2 TRP 4 HZ2 TRP 4 8.065 -5.750 -8.434
38 HZ3 TRP 4 HZ3 TRP 4 6.707 -1.708 -7.836
39 HH2 TRP 4 HH2 TRP 4 6.734 -3.791 -9.192
40 H LYS 5 H LYS 5 8.480 -5.492 -1.757
41 HA LYS 5 HA LYS 5 10.751 -6.173 -0.138
42 HB2 LYS 5 HB2 LYS 5 9.512 -6.396 2.001
43 HB3 LYS 5 HB3 LYS 5 9.661 -4.747 1.483
44 HG2 LYS 5 HG2 LYS 5 7.215 -5.219 0.403
45 HG3 LYS 5 HG3 LYS 5 7.161 -6.471 1.598
46 HD2 LYS 5 HD2 LYS 5 7.676 -3.488 2.093
47 HD3 LYS 5 HD3 LYS 5 6.130 -4.272 2.259
48 HE2 LYS 5 HE2 LYS 5 7.045 -5.715 4.116
49 HE3 LYS 5 HE3 LYS 5 8.598 -4.911 3.966
50 HZ1 LYS 5 HZ1 LYS 5 7.521 -2.838 4.506
51 HZ2 LYS 5 HZ2 LYS 5 7.289 -3.941 5.704
52 HZ3 LYS 5 HZ3 LYS 5 6.065 -3.589 4.662
53 H TRP 6 H TRP 6 10.846 -8.395 0.221
54 HA TRP 6 HA TRP 6 8.613 -10.112 -0.226
55 HB2 TRP 6 HB2 TRP 6 9.771 -9.470 -2.606
56 HB3 TRP 6 HB3 TRP 6 10.899 -10.695 -2.139
57 HD1 TRP 6 HD1 TRP 6 7.044 -10.404 -2.132
58 HE1 TRP 6 HE1 TRP 6 6.035 -12.310 -3.491
59 HE3 TRP 6 HE3 TRP 6 11.357 -12.896 -3.326
60 HZ2 TRP 6 HZ2 TRP 6 6.989 -14.608 -5.001
61 HZ3 TRP 6 HZ3 TRP 6 11.288 -14.893 -4.778
62 HH2 TRP 6 HH2 TRP 6 9.119 -15.736 -5.659
63 H LYS 7 H LYS 7 9.714 -12.524 -0.289
64 HA LYS 7 HA LYS 7 12.072 -12.723 1.398
65 HB2 LYS 7 HB2 LYS 7 9.303 -13.656 2.260
66 HB3 LYS 7 HB3 LYS 7 10.683 -14.579 2.740
67 HG2 LYS 7 HG2 LYS 7 10.407 -11.607 3.413
68 HG3 LYS 7 HG3 LYS 7 9.802 -12.894 4.411
69 HD2 LYS 7 HD2 LYS 7 12.129 -13.879 4.536
70 HD3 LYS 7 HD3 LYS 7 12.738 -12.475 3.696
71 HE2 LYS 7 HE2 LYS 7 12.021 -10.983 5.531
72 HE3 LYS 7 HE3 LYS 7 11.155 -12.278 6.322
73 HZ1 LYS 7 HZ1 LYS 7 14.068 -12.185 5.952
74 HZ2 LYS 7 HZ2 LYS 7 13.230 -13.405 6.688
75 HZ3 LYS 7 HZ3 LYS 7 13.243 -11.906 7.349
76 H TRP 8 H TRP 8 13.157 -14.640 1.001
77 HA TRP 8 HA TRP 8 12.248 -16.446 -1.145
78 HB2 TRP 8 HB2 TRP 8 14.699 -15.966 -0.739
79 HB3 TRP 8 HB3 TRP 8 14.590 -16.683 0.840
80 HD1 TRP 8 HD1 TRP 8 14.749 -17.498 -2.831
81 HE1 TRP 8 HE1 TRP 8 15.158 -20.009 -3.187
82 HE3 TRP 8 HE3 TRP 8 14.174 -19.121 2.001
83 HZ2 TRP 8 HZ2 TRP 8 15.140 -22.431 -1.592
84 HZ3 TRP 8 HZ3 TRP 8 14.383 -21.526 2.550
85 HH2 TRP 8 HH2 TRP 8 14.862 -23.187 0.762
86 H THR 9 H THR 9 10.461 -17.513 -0.502
87 HA THR 9 HA THR 9 10.395 -19.126 1.915
88 HB THR 9 HB THR 9 9.705 -16.892 2.644
89 HG21 THR 9 HG21 THR 9 7.657 -15.794 2.035
90 HG22 THR 9 HG22 THR 9 7.089 -17.179 1.110
91 HG23 THR 9 HG23 THR 9 8.422 -16.190 0.517
92 HA PRO 10 HA PRO 10 8.679 -20.986 -1.920
93 HB2 PRO 10 HB2 PRO 10 9.361 -23.604 -1.508
94 HB3 PRO 10 HB3 PRO 10 10.544 -22.374 -1.912
95 HG2 PRO 10 HG2 PRO 10 9.888 -23.459 0.830
96 HG3 PRO 10 HG3 PRO 10 11.484 -23.230 0.121
97 HD2 PRO 10 HD2 PRO 10 10.336 -21.394 1.834
98 HD3 PRO 10 HD3 PRO 10 11.435 -20.895 0.542
99 H TRP 11 H TRP 11 7.452 -21.127 1.171
100 HA TRP 11 HA TRP 11 5.804 -23.423 1.211
101 HB2 TRP 11 HB2 TRP 11 6.898 -21.709 3.025
102 HB3 TRP 11 HB3 TRP 11 5.338 -20.988 2.988
103 HD1 TRP 11 HD1 TRP 11 7.310 -23.924 4.169
104 HE1 TRP 11 HE1 TRP 11 5.959 -25.332 5.836
105 HE3 TRP 11 HE3 TRP 11 2.703 -21.769 3.513
106 HZ2 TRP 11 HZ2 TRP 11 3.220 -25.516 6.755
107 HZ3 TRP 11 HZ3 TRP 11 0.749 -22.576 4.801
108 HH2 TRP 11 HH2 TRP 11 0.996 -24.451 6.418
109 H ARG 12 H ARG 12 4.883 -22.799 -1.073
110 HA ARG 12 HA ARG 12 2.105 -22.310 -0.667
111 HB2 ARG 12 HB2 ARG 12 1.806 -20.526 -2.365
112 HB3 ARG 12 HB3 ARG 12 2.541 -19.950 -0.914
113 HG2 ARG 12 HG2 ARG 12 4.348 -20.745 -3.239
114 HG3 ARG 12 HG3 ARG 12 3.419 -19.280 -3.353
115 HD2 ARG 12 HD2 ARG 12 4.403 -18.362 -1.316
116 HD3 ARG 12 HD3 ARG 12 5.321 -19.817 -1.022
117 HE ARG 12 HE ARG 12 6.405 -19.488 -3.215
118 HH11 ARG 12 HH11 ARG 12 5.484 -16.773 -1.139
119 HH12 ARG 12 HH12 ARG 12 6.679 -15.681 -1.730
120 HH21 ARG 12 HH21 ARG 12 8.032 -18.036 -4.046
121 HH22 ARG 12 HH22 ARG 12 8.180 -16.443 -3.425
122 H ARG 13 H ARG 13 0.851 -23.039 -2.487
123 HA ARG 13 HA ARG 13 2.146 -25.197 -3.975
124 HB2 ARG 13 HB2 ARG 13 -0.162 -25.273 -2.841
125 HB3 ARG 13 HB3 ARG 13 -0.743 -24.165 -4.050
126 HG2 ARG 13 HG2 ARG 13 -0.002 -25.942 -5.819
127 HG3 ARG 13 HG3 ARG 13 0.296 -27.006 -4.477
128 HD2 ARG 13 HD2 ARG 13 -2.115 -26.781 -3.791
129 HD3 ARG 13 HD3 ARG 13 -2.411 -25.692 -5.119
130 HE ARG 13 HE ARG 13 -1.873 -28.583 -5.182
131 HH11 ARG 13 HH11 ARG 13 -2.418 -25.670 -7.164
132 HH12 ARG 13 HH12 ARG 13 -2.952 -26.515 -8.558
133 HH21 ARG 13 HH21 ARG 13 -2.510 -29.757 -7.097
134 HH22 ARG 13 HH22 ARG 13 -2.948 -28.923 -8.525
135 HN1 NH2 14 HN1 NH2 14 2.934 -22.691 -6.544
136 HN2 NH2 14 HN2 NH2 14 3.516 -23.263 -4.970
137 H2 BGC 101 H2 BGC 101 7.834 -19.280 5.632
138 H3 BGC 101 H3 BGC 101 5.980 -16.879 6.113
139 H4 BGC 101 H4 BGC 101 8.581 -17.605 7.516
140 H5 BGC 101 H5 BGC 101 8.027 -15.299 5.562
141 H6C1 BGC 101 H6C1 BGC 101 10.609 -15.231 5.623
142 H6C2 BGC 101 H6C2 BGC 101 10.529 -16.180 7.090
143 H1 BGC 101 H1 BGC 101 7.260 -16.782 3.947
144 HB BGC 101 HB BGC 101 5.756 -19.849 5.179
145 HC BGC 101 HC BGC 101 5.212 -18.697 7.143
146 HD BGC 101 HD BGC 101 6.885 -16.554 8.684
147 H6 BGC 101 H6 BGC 101 9.070 -14.475 7.880
Start of MODEL 10
1 H1 ILE 1 H1 ILE 1 7.562 7.933 -2.127
2 HA ILE 1 HA ILE 1 6.722 6.253 -3.485
3 HB ILE 1 HB ILE 1 8.258 4.724 -4.674
4 HG12 ILE 1 HG12 ILE 1 10.568 6.657 -4.149
5 HG13 ILE 1 HG13 ILE 1 10.355 5.169 -3.272
6 HG21 ILE 1 HG21 ILE 1 7.203 6.668 -5.877
7 HG22 ILE 1 HG22 ILE 1 8.693 7.587 -5.660
8 HG23 ILE 1 HG23 ILE 1 8.685 6.118 -6.615
9 HD11 ILE 1 HD11 ILE 1 10.492 3.859 -5.414
10 HD12 ILE 1 HD12 ILE 1 10.838 5.358 -6.276
11 HD13 ILE 1 HD13 ILE 1 11.944 4.779 -5.050
12 H LEU 2 H LEU 2 6.738 3.855 -2.727
13 HA LEU 2 HA LEU 2 8.480 3.311 -0.431
14 HB2 LEU 2 HB2 LEU 2 6.318 4.484 0.343
15 HB3 LEU 2 HB3 LEU 2 5.466 3.058 -0.142
16 HG LEU 2 HG LEU 2 5.874 3.105 2.221
17 HD11 LEU 2 HD11 LEU 2 5.869 0.851 1.157
18 HD12 LEU 2 HD12 LEU 2 6.744 0.910 2.673
19 HD13 LEU 2 HD13 LEU 2 7.634 0.857 1.162
20 HD21 LEU 2 HD21 LEU 2 8.893 3.090 1.795
21 HD22 LEU 2 HD22 LEU 2 8.028 3.106 3.321
22 HD23 LEU 2 HD23 LEU 2 7.941 4.500 2.259
23 HA PRO 3 HA PRO 3 7.861 -0.478 -3.010
24 HB2 PRO 3 HB2 PRO 3 10.462 -1.327 -3.107
25 HB3 PRO 3 HB3 PRO 3 9.845 -0.064 -4.157
26 HG2 PRO 3 HG2 PRO 3 11.450 0.282 -1.619
27 HG3 PRO 3 HG3 PRO 3 11.673 1.114 -3.156
28 HD2 PRO 3 HD2 PRO 3 10.290 2.180 -1.001
29 HD3 PRO 3 HD3 PRO 3 9.909 2.625 -2.672
30 H TRP 4 H TRP 4 6.750 -1.664 -1.468
31 HA TRP 4 HA TRP 4 7.366 -2.167 1.161
32 HB2 TRP 4 HB2 TRP 4 5.529 -3.443 -0.870
33 HB3 TRP 4 HB3 TRP 4 5.849 -4.383 0.544
34 HD1 TRP 4 HD1 TRP 4 4.736 -3.861 2.720
35 HE1 TRP 4 HE1 TRP 4 2.968 -2.171 3.512
36 HE3 TRP 4 HE3 TRP 4 4.669 -0.761 -1.368
37 HZ2 TRP 4 HZ2 TRP 4 1.728 0.247 2.521
38 HZ3 TRP 4 HZ3 TRP 4 3.205 1.224 -1.407
39 HH2 TRP 4 HH2 TRP 4 1.730 1.745 0.533
40 H LYS 5 H LYS 5 8.315 -4.239 -1.538
41 HA LYS 5 HA LYS 5 9.794 -5.912 -1.790
42 HB2 LYS 5 HB2 LYS 5 11.066 -4.812 0.758
43 HB3 LYS 5 HB3 LYS 5 11.776 -6.044 -0.242
44 HG2 LYS 5 HG2 LYS 5 11.847 -4.522 -2.190
45 HG3 LYS 5 HG3 LYS 5 11.062 -3.267 -1.270
46 HD2 LYS 5 HD2 LYS 5 12.980 -3.244 0.346
47 HD3 LYS 5 HD3 LYS 5 13.789 -4.466 -0.614
48 HE2 LYS 5 HE2 LYS 5 13.799 -2.875 -2.589
49 HE3 LYS 5 HE3 LYS 5 13.019 -1.659 -1.596
50 HZ1 LYS 5 HZ1 LYS 5 15.376 -1.339 -1.681
51 HZ2 LYS 5 HZ2 LYS 5 15.668 -2.840 -1.081
52 HZ3 LYS 5 HZ3 LYS 5 14.936 -1.704 -0.138
53 H TRP 6 H TRP 6 7.639 -7.001 -1.293
54 HA TRP 6 HA TRP 6 7.556 -8.948 0.848
55 HB2 TRP 6 HB2 TRP 6 6.293 -9.020 -1.940
56 HB3 TRP 6 HB3 TRP 6 5.836 -10.007 -0.582
57 HD1 TRP 6 HD1 TRP 6 4.842 -6.989 -2.304
58 HE1 TRP 6 HE1 TRP 6 3.184 -5.583 -0.928
59 HE3 TRP 6 HE3 TRP 6 5.437 -9.240 2.262
60 HZ2 TRP 6 HZ2 TRP 6 2.312 -5.386 1.822
61 HZ3 TRP 6 HZ3 TRP 6 4.167 -8.435 4.234
62 HH2 TRP 6 HH2 TRP 6 2.607 -6.512 4.022
63 H LYS 7 H LYS 7 8.180 -11.176 0.636
64 HA LYS 7 HA LYS 7 10.623 -11.477 -1.121
65 HB2 LYS 7 HB2 LYS 7 10.206 -11.994 1.845
66 HB3 LYS 7 HB3 LYS 7 11.575 -12.612 0.978
67 HG2 LYS 7 HG2 LYS 7 12.496 -10.507 0.506
68 HG3 LYS 7 HG3 LYS 7 11.036 -9.630 0.800
69 HD2 LYS 7 HD2 LYS 7 12.528 -11.120 3.001
70 HD3 LYS 7 HD3 LYS 7 12.899 -9.474 2.598
71 HE2 LYS 7 HE2 LYS 7 10.083 -10.365 3.460
72 HE3 LYS 7 HE3 LYS 7 11.300 -9.806 4.580
73 HZ1 LYS 7 HZ1 LYS 7 9.798 -8.058 3.891
74 HZ2 LYS 7 HZ2 LYS 7 10.283 -8.166 2.330
75 HZ3 LYS 7 HZ3 LYS 7 11.347 -7.701 3.482
76 H TRP 8 H TRP 8 7.705 -12.932 -0.333
77 HA TRP 8 HA TRP 8 6.735 -14.891 -0.803
78 HB2 TRP 8 HB2 TRP 8 7.413 -13.872 -3.038
79 HB3 TRP 8 HB3 TRP 8 8.699 -15.046 -3.113
80 HD1 TRP 8 HD1 TRP 8 8.031 -17.125 -4.390
81 HE1 TRP 8 HE1 TRP 8 5.875 -18.372 -4.998
82 HE3 TRP 8 HE3 TRP 8 4.672 -14.226 -1.831
83 HZ2 TRP 8 HZ2 TRP 8 3.041 -18.194 -4.356
84 HZ3 TRP 8 HZ3 TRP 8 2.263 -14.802 -1.819
85 HH2 TRP 8 HH2 TRP 8 1.440 -16.783 -3.074
86 H THR 9 H THR 9 7.712 -15.757 1.275
87 HA THR 9 HA THR 9 9.420 -17.931 1.288
88 HB THR 9 HB THR 9 8.091 -18.801 3.173
89 HG21 THR 9 HG21 THR 9 8.842 -15.858 3.405
90 HG22 THR 9 HG22 THR 9 9.843 -17.257 3.714
91 HG23 THR 9 HG23 THR 9 8.464 -16.931 4.752
92 HA PRO 10 HA PRO 10 7.622 -20.472 -1.692
93 HB2 PRO 10 HB2 PRO 10 8.871 -22.912 -1.332
94 HB3 PRO 10 HB3 PRO 10 9.703 -21.458 -1.865
95 HG2 PRO 10 HG2 PRO 10 9.563 -22.578 0.936
96 HG3 PRO 10 HG3 PRO 10 10.995 -22.002 0.083
97 HD2 PRO 10 HD2 PRO 10 9.618 -20.427 1.885
98 HD3 PRO 10 HD3 PRO 10 10.411 -19.736 0.457
99 H TRP 11 H TRP 11 6.086 -21.976 -2.225
100 HA TRP 11 HA TRP 11 4.160 -22.733 -0.164
101 HB2 TRP 11 HB2 TRP 11 3.502 -21.815 -2.394
102 HB3 TRP 11 HB3 TRP 11 4.256 -23.153 -3.209
103 HD1 TRP 11 HD1 TRP 11 1.322 -22.370 -0.880
104 HE1 TRP 11 HE1 TRP 11 -0.580 -24.032 -1.320
105 HE3 TRP 11 HE3 TRP 11 3.725 -25.478 -4.149
106 HZ2 TRP 11 HZ2 TRP 11 -0.990 -26.457 -2.875
107 HZ3 TRP 11 HZ3 TRP 11 2.543 -27.420 -5.146
108 HH2 TRP 11 HH2 TRP 11 0.189 -27.919 -4.510
109 H ARG 12 H ARG 12 4.088 -24.671 0.745
110 HA ARG 12 HA ARG 12 5.931 -26.798 0.348
111 HB2 ARG 12 HB2 ARG 12 4.514 -28.011 1.984
112 HB3 ARG 12 HB3 ARG 12 4.928 -26.412 2.488
113 HG2 ARG 12 HG2 ARG 12 2.757 -26.049 2.972
114 HG3 ARG 12 HG3 ARG 12 2.425 -25.960 1.280
115 HD2 ARG 12 HD2 ARG 12 0.874 -27.540 2.101
116 HD3 ARG 12 HD3 ARG 12 2.080 -28.540 1.314
117 HE ARG 12 HE ARG 12 2.815 -28.139 4.019
118 HH11 ARG 12 HH11 ARG 12 0.262 -29.788 2.187
119 HH12 ARG 12 HH12 ARG 12 -0.015 -31.038 3.336
120 HH21 ARG 12 HH21 ARG 12 2.446 -29.839 5.637
121 HH22 ARG 12 HH22 ARG 12 1.275 -31.054 5.357
122 H ARG 13 H ARG 13 6.016 -28.020 -1.347
123 HA ARG 13 HA ARG 13 4.336 -28.176 -3.481
124 HB2 ARG 13 HB2 ARG 13 6.821 -28.595 -3.345
125 HB3 ARG 13 HB3 ARG 13 6.514 -30.163 -2.680
126 HG2 ARG 13 HG2 ARG 13 5.008 -29.975 -5.169
127 HG3 ARG 13 HG3 ARG 13 6.560 -29.278 -5.460
128 HD2 ARG 13 HD2 ARG 13 6.778 -31.579 -6.018
129 HD3 ARG 13 HD3 ARG 13 7.642 -31.419 -4.498
130 HE ARG 13 HE ARG 13 5.102 -31.995 -3.688
131 HH11 ARG 13 HH11 ARG 13 7.295 -33.705 -5.940
132 HH12 ARG 13 HH12 ARG 13 6.595 -35.253 -5.695
133 HH21 ARG 13 HH21 ARG 13 4.163 -34.027 -3.358
134 HH22 ARG 13 HH22 ARG 13 4.734 -35.452 -4.138
135 HN1 NH2 14 HN1 NH2 14 1.729 -30.397 -2.340
136 HN2 NH2 14 HN2 NH2 14 2.261 -28.717 -2.217
137 H2 BGC 101 H2 BGC 101 4.642 -16.102 4.262
138 H3 BGC 101 H3 BGC 101 3.643 -15.123 1.533
139 H4 BGC 101 H4 BGC 101 4.828 -13.596 3.896
140 H5 BGC 101 H5 BGC 101 5.950 -14.124 1.097
141 H6C1 BGC 101 H6C1 BGC 101 8.083 -13.176 2.178
142 H6C2 BGC 101 H6C2 BGC 101 7.084 -12.598 3.495
143 H1 BGC 101 H1 BGC 101 5.794 -16.527 1.450
144 HB BGC 101 HB BGC 101 4.306 -18.130 3.149
145 HC BGC 101 HC BGC 101 2.097 -15.636 3.186
146 HD BGC 101 HD BGC 101 3.131 -12.656 2.581
147 H6 BGC 101 H6 BGC 101 5.781 -11.577 1.769
Start of MODEL 11
1 H1 ILE 1 H1 ILE 1 9.501 7.583 -3.876
2 HA ILE 1 HA ILE 1 8.742 6.758 -1.859
3 HB ILE 1 HB ILE 1 5.973 6.536 -3.172
4 HG12 ILE 1 HG12 ILE 1 5.463 8.305 -1.220
5 HG13 ILE 1 HG13 ILE 1 7.103 8.785 -1.470
6 HG21 ILE 1 HG21 ILE 1 6.765 6.107 -0.255
7 HG22 ILE 1 HG22 ILE 1 5.134 6.039 -0.910
8 HG23 ILE 1 HG23 ILE 1 6.305 4.844 -1.399
9 HD11 ILE 1 HD11 ILE 1 5.448 10.132 -2.789
10 HD12 ILE 1 HD12 ILE 1 6.482 9.299 -3.929
11 HD13 ILE 1 HD13 ILE 1 4.864 8.694 -3.594
12 H LEU 2 H LEU 2 8.857 4.344 -1.582
13 HA LEU 2 HA LEU 2 8.354 2.688 -3.953
14 HB2 LEU 2 HB2 LEU 2 10.778 3.636 -3.932
15 HB3 LEU 2 HB3 LEU 2 11.075 2.535 -2.629
16 HG LEU 2 HG LEU 2 10.114 1.822 -5.442
17 HD11 LEU 2 HD11 LEU 2 12.469 2.597 -5.369
18 HD12 LEU 2 HD12 LEU 2 12.382 0.888 -5.760
19 HD13 LEU 2 HD13 LEU 2 12.841 1.392 -4.139
20 HD21 LEU 2 HD21 LEU 2 10.662 -0.576 -4.790
21 HD22 LEU 2 HD22 LEU 2 9.236 0.061 -4.003
22 HD23 LEU 2 HD23 LEU 2 10.755 -0.049 -3.117
23 HA PRO 3 HA PRO 3 7.088 0.755 0.059
24 HB2 PRO 3 HB2 PRO 3 4.664 -0.241 -0.657
25 HB3 PRO 3 HB3 PRO 3 4.918 1.468 -0.405
26 HG2 PRO 3 HG2 PRO 3 4.873 0.028 -3.072
27 HG3 PRO 3 HG3 PRO 3 4.024 1.508 -2.635
28 HD2 PRO 3 HD2 PRO 3 6.461 1.475 -3.949
29 HD3 PRO 3 HD3 PRO 3 5.999 2.803 -2.875
30 H TRP 4 H TRP 4 8.955 -0.628 -0.293
31 HA TRP 4 HA TRP 4 9.084 -2.948 -1.893
32 HB2 TRP 4 HB2 TRP 4 10.497 -1.942 0.605
33 HB3 TRP 4 HB3 TRP 4 10.756 -3.589 0.146
34 HD1 TRP 4 HD1 TRP 4 12.268 -0.404 -0.387
35 HE1 TRP 4 HE1 TRP 4 13.933 -0.470 -2.340
36 HE3 TRP 4 HE3 TRP 4 10.823 -4.825 -2.553
37 HZ2 TRP 4 HZ2 TRP 4 14.496 -2.172 -4.623
38 HZ3 TRP 4 HZ3 TRP 4 11.935 -5.638 -4.604
39 HH2 TRP 4 HH2 TRP 4 13.769 -4.319 -5.650
40 H LYS 5 H LYS 5 9.223 -5.179 -1.198
41 HA LYS 5 HA LYS 5 8.051 -6.094 1.233
42 HB2 LYS 5 HB2 LYS 5 6.814 -7.056 -1.417
43 HB3 LYS 5 HB3 LYS 5 6.630 -7.830 0.117
44 HG2 LYS 5 HG2 LYS 5 4.676 -6.684 0.180
45 HG3 LYS 5 HG3 LYS 5 5.684 -5.483 0.926
46 HD2 LYS 5 HD2 LYS 5 6.026 -4.606 -1.564
47 HD3 LYS 5 HD3 LYS 5 4.673 -5.620 -1.956
48 HE2 LYS 5 HE2 LYS 5 3.215 -4.353 -0.399
49 HE3 LYS 5 HE3 LYS 5 4.594 -3.464 0.229
50 HZ1 LYS 5 HZ1 LYS 5 3.392 -2.199 -1.411
51 HZ2 LYS 5 HZ2 LYS 5 3.738 -3.326 -2.574
52 HZ3 LYS 5 HZ3 LYS 5 4.964 -2.481 -1.841
53 H TRP 6 H TRP 6 8.795 -8.254 1.629
54 HA TRP 6 HA TRP 6 11.089 -9.220 0.000
55 HB2 TRP 6 HB2 TRP 6 9.797 -10.117 2.644
56 HB3 TRP 6 HB3 TRP 6 11.047 -11.027 1.851
57 HD1 TRP 6 HD1 TRP 6 10.657 -8.420 4.352
58 HE1 TRP 6 HE1 TRP 6 12.912 -7.343 4.947
59 HE3 TRP 6 HE3 TRP 6 13.472 -10.223 0.470
60 HZ2 TRP 6 HZ2 TRP 6 15.595 -7.247 3.850
61 HZ3 TRP 6 HZ3 TRP 6 15.873 -9.632 0.276
62 HH2 TRP 6 HH2 TRP 6 16.938 -8.146 1.957
63 H LYS 7 H LYS 7 10.948 -11.375 -0.883
64 HA LYS 7 HA LYS 7 8.340 -12.057 -2.052
65 HB2 LYS 7 HB2 LYS 7 11.109 -13.360 -2.307
66 HB3 LYS 7 HB3 LYS 7 9.702 -13.779 -3.248
67 HG2 LYS 7 HG2 LYS 7 9.605 -11.370 -4.080
68 HG3 LYS 7 HG3 LYS 7 11.154 -11.087 -3.341
69 HD2 LYS 7 HD2 LYS 7 10.560 -13.190 -5.490
70 HD3 LYS 7 HD3 LYS 7 11.237 -11.613 -5.794
71 HE2 LYS 7 HE2 LYS 7 13.256 -12.191 -4.395
72 HE3 LYS 7 HE3 LYS 7 12.602 -13.795 -4.124
73 HZ1 LYS 7 HZ1 LYS 7 14.161 -13.789 -5.912
74 HZ2 LYS 7 HZ2 LYS 7 13.285 -12.689 -6.765
75 HZ3 LYS 7 HZ3 LYS 7 12.671 -14.189 -6.478
76 H TRP 8 H TRP 8 7.751 -12.359 0.404
77 HA TRP 8 HA TRP 8 8.392 -14.909 1.666
78 HB2 TRP 8 HB2 TRP 8 7.897 -12.626 2.771
79 HB3 TRP 8 HB3 TRP 8 6.225 -12.838 2.357
80 HD1 TRP 8 HD1 TRP 8 7.300 -16.156 3.435
81 HE1 TRP 8 HE1 TRP 8 6.885 -16.542 5.934
82 HE3 TRP 8 HE3 TRP 8 6.405 -11.321 4.882
83 HZ2 TRP 8 HZ2 TRP 8 6.230 -14.965 8.271
84 HZ3 TRP 8 HZ3 TRP 8 5.895 -10.795 7.251
85 HH2 TRP 8 HH2 TRP 8 5.805 -12.609 8.947
86 H THR 9 H THR 9 7.702 -15.970 -0.448
87 HA THR 9 HA THR 9 4.889 -16.907 -0.305
88 HB THR 9 HB THR 9 4.899 -15.071 -1.788
89 HG21 THR 9 HG21 THR 9 5.943 -14.984 -3.989
90 HG22 THR 9 HG22 THR 9 6.874 -16.448 -3.676
91 HG23 THR 9 HG23 THR 9 7.162 -15.002 -2.734
92 HA PRO 10 HA PRO 10 8.055 -20.228 -0.395
93 HB2 PRO 10 HB2 PRO 10 7.042 -21.877 1.557
94 HB3 PRO 10 HB3 PRO 10 7.908 -20.395 1.922
95 HG2 PRO 10 HG2 PRO 10 4.916 -20.804 1.854
96 HG3 PRO 10 HG3 PRO 10 5.857 -19.980 3.091
97 HD2 PRO 10 HD2 PRO 10 4.548 -18.643 1.059
98 HD3 PRO 10 HD3 PRO 10 6.045 -18.018 1.762
99 H TRP 11 H TRP 11 8.073 -22.198 -1.449
100 HA TRP 11 HA TRP 11 5.587 -23.249 -2.693
101 HB2 TRP 11 HB2 TRP 11 7.998 -22.883 -3.843
102 HB3 TRP 11 HB3 TRP 11 8.412 -24.372 -3.049
103 HD1 TRP 11 HD1 TRP 11 7.522 -26.552 -4.180
104 HE1 TRP 11 HE1 TRP 11 6.235 -27.059 -6.356
105 HE3 TRP 11 HE3 TRP 11 6.014 -21.808 -5.362
106 HZ2 TRP 11 HZ2 TRP 11 4.695 -25.589 -8.326
107 HZ3 TRP 11 HZ3 TRP 11 4.671 -21.385 -7.408
108 HH2 TRP 11 HH2 TRP 11 4.006 -23.263 -8.884
109 H ARG 12 H ARG 12 4.806 -25.312 -1.943
110 HA ARG 12 HA ARG 12 6.281 -26.870 -0.024
111 HB2 ARG 12 HB2 ARG 12 3.993 -26.561 1.538
112 HB3 ARG 12 HB3 ARG 12 5.583 -25.975 1.867
113 HG2 ARG 12 HG2 ARG 12 4.053 -24.204 2.264
114 HG3 ARG 12 HG3 ARG 12 5.051 -23.750 0.935
115 HD2 ARG 12 HD2 ARG 12 2.923 -24.765 -0.486
116 HD3 ARG 12 HD3 ARG 12 2.095 -24.426 1.012
117 HE ARG 12 HE ARG 12 3.806 -22.380 -0.380
118 HH11 ARG 12 HH11 ARG 12 0.523 -23.188 0.775
119 HH12 ARG 12 HH12 ARG 12 -0.103 -21.616 0.453
120 HH21 ARG 12 HH21 ARG 12 2.971 -20.396 -0.928
121 HH22 ARG 12 HH22 ARG 12 1.387 -19.925 -0.489
122 H ARG 13 H ARG 13 5.651 -28.961 0.001
123 HA ARG 13 HA ARG 13 3.784 -29.792 -2.110
124 HB2 ARG 13 HB2 ARG 13 6.232 -30.725 -1.073
125 HB3 ARG 13 HB3 ARG 13 5.147 -31.847 -0.341
126 HG2 ARG 13 HG2 ARG 13 5.259 -31.246 -3.346
127 HG3 ARG 13 HG3 ARG 13 6.220 -32.461 -2.579
128 HD2 ARG 13 HD2 ARG 13 3.148 -32.575 -2.510
129 HD3 ARG 13 HD3 ARG 13 4.110 -33.244 -3.768
130 HE ARG 13 HE ARG 13 5.182 -34.755 -2.376
131 HH11 ARG 13 HH11 ARG 13 2.475 -33.153 -0.640
132 HH12 ARG 13 HH12 ARG 13 2.004 -34.568 0.212
133 HH21 ARG 13 HH21 ARG 13 4.729 -36.565 -0.978
134 HH22 ARG 13 HH22 ARG 13 3.437 -36.492 0.142
135 HN1 NH2 14 HN1 NH2 14 1.938 -30.066 1.458
136 HN2 NH2 14 HN2 NH2 14 3.207 -28.919 1.057
137 H2 BGC 101 H2 BGC 101 2.236 -17.892 -3.991
138 H3 BGC 101 H3 BGC 101 4.157 -19.949 -5.186
139 H4 BGC 101 H4 BGC 101 2.474 -17.764 -6.486
140 H5 BGC 101 H5 BGC 101 5.507 -18.180 -6.186
141 H6C1 BGC 101 H6C1 BGC 101 4.975 -17.037 -8.364
142 H6C2 BGC 101 H6C2 BGC 101 5.788 -15.985 -7.226
143 H1 BGC 101 H1 BGC 101 5.294 -18.083 -3.743
144 HB BGC 101 HB BGC 101 2.481 -20.067 -3.193
145 HC BGC 101 HC BGC 101 2.140 -20.520 -6.256
146 HD BGC 101 HD BGC 101 3.198 -18.607 -8.387
147 H6 BGC 101 H6 BGC 101 3.688 -15.191 -6.614
Start of MODEL 12
1 H1 ILE 1 H1 ILE 1 4.811 1.476 -8.822
2 HA ILE 1 HA ILE 1 6.842 1.151 -7.718
3 HB ILE 1 HB ILE 1 6.883 1.110 -5.232
4 HG12 ILE 1 HG12 ILE 1 4.152 2.484 -5.238
5 HG13 ILE 1 HG13 ILE 1 4.389 0.801 -4.848
6 HG21 ILE 1 HG21 ILE 1 7.132 3.508 -4.908
7 HG22 ILE 1 HG22 ILE 1 7.663 3.122 -6.523
8 HG23 ILE 1 HG23 ILE 1 6.090 3.878 -6.267
9 HD11 ILE 1 HD11 ILE 1 4.264 2.057 -2.782
10 HD12 ILE 1 HD12 ILE 1 5.899 1.433 -2.944
11 HD13 ILE 1 HD13 ILE 1 5.559 3.134 -3.266
12 H LEU 2 H LEU 2 7.301 -0.974 -6.388
13 HA LEU 2 HA LEU 2 5.214 -3.009 -6.987
14 HB2 LEU 2 HB2 LEU 2 8.226 -3.075 -6.357
15 HB3 LEU 2 HB3 LEU 2 7.241 -4.479 -6.145
16 HG LEU 2 HG LEU 2 6.530 -4.385 -8.545
17 HD11 LEU 2 HD11 LEU 2 6.993 -2.060 -9.190
18 HD12 LEU 2 HD12 LEU 2 7.993 -3.123 -10.149
19 HD13 LEU 2 HD13 LEU 2 8.707 -2.249 -8.802
20 HD21 LEU 2 HD21 LEU 2 9.523 -4.699 -8.029
21 HD22 LEU 2 HD22 LEU 2 8.633 -5.385 -9.382
22 HD23 LEU 2 HD23 LEU 2 8.298 -5.931 -7.748
23 HA PRO 3 HA PRO 3 4.556 -3.053 -2.490
24 HB2 PRO 3 HB2 PRO 3 3.361 -5.498 -2.115
25 HB3 PRO 3 HB3 PRO 3 2.567 -4.163 -2.928
26 HG2 PRO 3 HG2 PRO 3 3.973 -6.506 -4.205
27 HG3 PRO 3 HG3 PRO 3 2.403 -5.832 -4.637
28 HD2 PRO 3 HD2 PRO 3 4.744 -5.201 -5.991
29 HD3 PRO 3 HD3 PRO 3 3.413 -4.047 -5.832
30 H TRP 4 H TRP 4 5.509 -3.802 -0.639
31 HA TRP 4 HA TRP 4 8.167 -4.875 -0.741
32 HB2 TRP 4 HB2 TRP 4 7.932 -4.427 1.786
33 HB3 TRP 4 HB3 TRP 4 7.773 -3.062 0.738
34 HD1 TRP 4 HD1 TRP 4 5.945 -4.955 3.352
35 HE1 TRP 4 HE1 TRP 4 3.679 -3.871 3.863
36 HE3 TRP 4 HE3 TRP 4 5.768 -1.594 -0.515
37 HZ2 TRP 4 HZ2 TRP 4 1.944 -1.866 2.667
38 HZ3 TRP 4 HZ3 TRP 4 3.793 -0.129 -0.815
39 HH2 TRP 4 HH2 TRP 4 1.877 -0.261 0.767
40 H LYS 5 H LYS 5 7.336 -6.960 -1.681
41 HA LYS 5 HA LYS 5 7.264 -9.017 0.404
42 HB2 LYS 5 HB2 LYS 5 5.321 -10.216 -0.766
43 HB3 LYS 5 HB3 LYS 5 4.971 -8.895 0.285
44 HG2 LYS 5 HG2 LYS 5 3.775 -7.883 -1.250
45 HG3 LYS 5 HG3 LYS 5 5.132 -7.631 -2.267
46 HD2 LYS 5 HD2 LYS 5 3.334 -10.102 -2.317
47 HD3 LYS 5 HD3 LYS 5 3.156 -8.723 -3.348
48 HE2 LYS 5 HE2 LYS 5 5.475 -10.716 -3.400
49 HE3 LYS 5 HE3 LYS 5 4.243 -10.460 -4.618
50 HZ1 LYS 5 HZ1 LYS 5 6.121 -9.331 -5.365
51 HZ2 LYS 5 HZ2 LYS 5 6.501 -8.783 -3.874
52 HZ3 LYS 5 HZ3 LYS 5 5.242 -8.094 -4.702
53 H TRP 6 H TRP 6 8.681 -10.534 -0.086
54 HA TRP 6 HA TRP 6 9.043 -11.490 -2.777
55 HB2 TRP 6 HB2 TRP 6 10.650 -9.379 -2.254
56 HB3 TRP 6 HB3 TRP 6 11.678 -10.580 -1.588
57 HD1 TRP 6 HD1 TRP 6 9.791 -9.689 -4.793
58 HE1 TRP 6 HE1 TRP 6 11.137 -10.462 -6.861
59 HE3 TRP 6 HE3 TRP 6 13.622 -12.144 -2.430
60 HZ2 TRP 6 HZ2 TRP 6 13.512 -11.988 -7.406
61 HZ3 TRP 6 HZ3 TRP 6 15.401 -13.243 -3.744
62 HH2 TRP 6 HH2 TRP 6 15.361 -13.166 -6.230
63 H LYS 7 H LYS 7 11.690 -12.278 -1.018
64 HA LYS 7 HA LYS 7 11.884 -13.720 0.999
65 HB2 LYS 7 HB2 LYS 7 10.038 -15.465 -0.708
66 HB3 LYS 7 HB3 LYS 7 11.089 -16.138 0.479
67 HG2 LYS 7 HG2 LYS 7 10.031 -15.139 2.339
68 HG3 LYS 7 HG3 LYS 7 9.025 -14.103 1.383
69 HD2 LYS 7 HD2 LYS 7 8.907 -17.155 1.226
70 HD3 LYS 7 HD3 LYS 7 7.912 -16.220 2.314
71 HE2 LYS 7 HE2 LYS 7 6.778 -15.071 0.464
72 HE3 LYS 7 HE3 LYS 7 7.857 -15.753 -0.724
73 HZ1 LYS 7 HZ1 LYS 7 6.079 -17.432 0.919
74 HZ2 LYS 7 HZ2 LYS 7 6.971 -17.911 -0.359
75 HZ3 LYS 7 HZ3 LYS 7 5.746 -16.889 -0.590
76 H TRP 8 H TRP 8 13.834 -14.907 0.852
77 HA TRP 8 HA TRP 8 15.314 -14.968 -1.559
78 HB2 TRP 8 HB2 TRP 8 15.661 -16.411 1.125
79 HB3 TRP 8 HB3 TRP 8 16.798 -16.564 -0.177
80 HD1 TRP 8 HD1 TRP 8 18.511 -14.779 -0.595
81 HE1 TRP 8 HE1 TRP 8 19.212 -12.616 0.578
82 HE3 TRP 8 HE3 TRP 8 14.555 -14.283 2.635
83 HZ2 TRP 8 HZ2 TRP 8 18.179 -10.867 2.649
84 HZ3 TRP 8 HZ3 TRP 8 14.436 -12.350 4.181
85 HH2 TRP 8 HH2 TRP 8 16.242 -10.642 4.196
86 H THR 9 H THR 9 13.339 -17.498 -0.012
87 HA THR 9 HA THR 9 13.304 -18.870 -2.602
88 HB THR 9 HB THR 9 14.799 -20.205 -1.231
89 HG21 THR 9 HG21 THR 9 13.747 -19.822 1.074
90 HG22 THR 9 HG22 THR 9 14.062 -21.498 0.705
91 HG23 THR 9 HG23 THR 9 12.417 -20.878 0.599
92 HA PRO 10 HA PRO 10 9.210 -17.590 -1.422
93 HB2 PRO 10 HB2 PRO 10 7.815 -17.974 -3.750
94 HB3 PRO 10 HB3 PRO 10 9.081 -16.765 -3.578
95 HG2 PRO 10 HG2 PRO 10 9.344 -19.532 -4.777
96 HG3 PRO 10 HG3 PRO 10 9.906 -18.005 -5.458
97 HD2 PRO 10 HD2 PRO 10 11.575 -19.690 -4.032
98 HD3 PRO 10 HD3 PRO 10 11.771 -17.930 -3.998
99 H TRP 11 H TRP 11 9.893 -20.844 -2.072
100 HA TRP 11 HA TRP 11 8.414 -22.507 -2.736
101 HB2 TRP 11 HB2 TRP 11 10.276 -23.000 -1.269
102 HB3 TRP 11 HB3 TRP 11 9.303 -22.707 0.143
103 HD1 TRP 11 HD1 TRP 11 8.235 -24.733 1.200
104 HE1 TRP 11 HE1 TRP 11 8.067 -27.247 0.648
105 HE3 TRP 11 HE3 TRP 11 9.826 -24.630 -3.669
106 HZ2 TRP 11 HZ2 TRP 11 8.678 -28.991 -1.564
107 HZ3 TRP 11 HZ3 TRP 11 10.095 -26.734 -4.949
108 HH2 TRP 11 HH2 TRP 11 9.532 -28.919 -3.901
109 H ARG 12 H ARG 12 6.756 -20.823 -0.102
110 HA ARG 12 HA ARG 12 4.294 -22.078 -0.970
111 HB2 ARG 12 HB2 ARG 12 3.513 -22.996 1.111
112 HB3 ARG 12 HB3 ARG 12 4.968 -23.765 0.590
113 HG2 ARG 12 HG2 ARG 12 5.204 -23.566 2.910
114 HG3 ARG 12 HG3 ARG 12 6.274 -22.349 2.272
115 HD2 ARG 12 HD2 ARG 12 4.739 -20.556 2.881
116 HD3 ARG 12 HD3 ARG 12 3.411 -21.686 3.134
117 HE ARG 12 HE ARG 12 5.438 -22.390 4.915
118 HH11 ARG 12 HH11 ARG 12 3.133 -19.715 4.314
119 HH12 ARG 12 HH12 ARG 12 3.033 -19.238 5.968
120 HH21 ARG 12 HH21 ARG 12 5.322 -21.703 7.179
121 HH22 ARG 12 HH22 ARG 12 4.342 -20.377 7.623
122 H ARG 13 H ARG 13 2.348 -21.170 -0.058
123 HA ARG 13 HA ARG 13 2.426 -18.319 -0.373
124 HB2 ARG 13 HB2 ARG 13 0.146 -20.196 0.476
125 HB3 ARG 13 HB3 ARG 13 -0.061 -18.527 0.034
126 HG2 ARG 13 HG2 ARG 13 0.883 -19.050 -2.271
127 HG3 ARG 13 HG3 ARG 13 0.900 -20.741 -1.839
128 HD2 ARG 13 HD2 ARG 13 -1.626 -20.617 -1.457
129 HD3 ARG 13 HD3 ARG 13 -1.570 -18.937 -1.959
130 HE ARG 13 HE ARG 13 -0.442 -20.900 -3.825
131 HH11 ARG 13 HH11 ARG 13 -3.470 -19.203 -2.932
132 HH12 ARG 13 HH12 ARG 13 -4.210 -19.451 -4.456
133 HH21 ARG 13 HH21 ARG 13 -1.440 -21.147 -5.921
134 HH22 ARG 13 HH22 ARG 13 -3.036 -20.598 -6.169
135 HN1 NH2 14 HN1 NH2 14 1.580 -16.986 2.889
136 HN2 NH2 14 HN2 NH2 14 1.229 -16.781 1.195
137 H2 BGC 101 H2 BGC 101 13.867 -22.878 -3.901
138 H3 BGC 101 H3 BGC 101 13.120 -25.269 -2.147
139 H4 BGC 101 H4 BGC 101 15.831 -24.459 -3.310
140 H5 BGC 101 H5 BGC 101 14.801 -24.462 -0.416
141 H6C1 BGC 101 H6C1 BGC 101 17.496 -23.466 -1.475
142 H6C2 BGC 101 H6C2 BGC 101 17.282 -24.958 -0.568
143 H1 BGC 101 H1 BGC 101 13.072 -22.987 -0.924
144 HB BGC 101 HB BGC 101 11.817 -23.893 -4.134
145 HC BGC 101 HC BGC 101 13.899 -26.395 -4.004
146 HD BGC 101 HD BGC 101 16.539 -26.319 -2.286
147 H6 BGC 101 H6 BGC 101 17.872 -23.127 0.751
Start of MODEL 13
1 H1 ILE 1 H1 ILE 1 8.020 7.066 -3.606
2 HA ILE 1 HA ILE 1 7.845 5.233 -5.252
3 HB ILE 1 HB ILE 1 9.449 3.729 -4.075
4 HG12 ILE 1 HG12 ILE 1 9.172 5.472 -1.580
5 HG13 ILE 1 HG13 ILE 1 8.412 3.913 -1.737
6 HG21 ILE 1 HG21 ILE 1 10.179 6.667 -3.641
7 HG22 ILE 1 HG22 ILE 1 11.277 5.324 -3.892
8 HG23 ILE 1 HG23 ILE 1 10.233 5.831 -5.194
9 HD11 ILE 1 HD11 ILE 1 10.653 2.827 -2.069
10 HD12 ILE 1 HD12 ILE 1 11.425 4.387 -1.791
11 HD13 ILE 1 HD13 ILE 1 10.484 3.637 -0.519
12 H LEU 2 H LEU 2 7.456 2.751 -5.346
13 HA LEU 2 HA LEU 2 5.646 1.693 -3.303
14 HB2 LEU 2 HB2 LEU 2 4.272 2.779 -5.138
15 HB3 LEU 2 HB3 LEU 2 4.873 1.591 -6.249
16 HG LEU 2 HG LEU 2 3.377 0.934 -3.661
17 HD11 LEU 2 HD11 LEU 2 1.928 2.272 -5.149
18 HD12 LEU 2 HD12 LEU 2 1.353 0.619 -5.051
19 HD13 LEU 2 HD13 LEU 2 2.230 1.159 -6.479
20 HD21 LEU 2 HD21 LEU 2 2.900 -1.272 -4.815
21 HD22 LEU 2 HD22 LEU 2 4.596 -1.054 -4.424
22 HD23 LEU 2 HD23 LEU 2 4.037 -0.821 -6.080
23 HA PRO 3 HA PRO 3 9.091 -1.017 -4.697
24 HB2 PRO 3 HB2 PRO 3 9.804 -2.127 -2.299
25 HB3 PRO 3 HB3 PRO 3 10.110 -0.441 -2.653
26 HG2 PRO 3 HG2 PRO 3 7.786 -1.593 -1.092
27 HG3 PRO 3 HG3 PRO 3 8.851 -0.278 -0.602
28 HD2 PRO 3 HD2 PRO 3 6.402 0.161 -1.801
29 HD3 PRO 3 HD3 PRO 3 7.765 1.263 -2.061
30 H TRP 4 H TRP 4 9.592 -3.364 -4.430
31 HA TRP 4 HA TRP 4 7.287 -5.227 -4.321
32 HB2 TRP 4 HB2 TRP 4 10.282 -5.616 -4.911
33 HB3 TRP 4 HB3 TRP 4 9.130 -6.913 -4.779
34 HD1 TRP 4 HD1 TRP 4 7.599 -7.449 -6.764
35 HE1 TRP 4 HE1 TRP 4 7.424 -6.631 -9.193
36 HE3 TRP 4 HE3 TRP 4 10.666 -3.351 -6.477
37 HZ2 TRP 4 HZ2 TRP 4 8.408 -4.420 -10.785
38 HZ3 TRP 4 HZ3 TRP 4 11.034 -1.918 -8.463
39 HH2 TRP 4 HH2 TRP 4 9.907 -2.442 -10.617
40 H LYS 5 H LYS 5 7.395 -6.926 -2.656
41 HA LYS 5 HA LYS 5 8.708 -6.072 -0.124
42 HB2 LYS 5 HB2 LYS 5 6.423 -6.918 0.869
43 HB3 LYS 5 HB3 LYS 5 6.637 -5.263 0.430
44 HG2 LYS 5 HG2 LYS 5 5.425 -7.199 -1.584
45 HG3 LYS 5 HG3 LYS 5 4.451 -6.600 -0.285
46 HD2 LYS 5 HD2 LYS 5 4.449 -4.381 -1.005
47 HD3 LYS 5 HD3 LYS 5 5.964 -4.514 -1.835
48 HE2 LYS 5 HE2 LYS 5 4.863 -5.955 -3.612
49 HE3 LYS 5 HE3 LYS 5 3.314 -5.674 -2.839
50 HZ1 LYS 5 HZ1 LYS 5 5.113 -3.539 -3.818
51 HZ2 LYS 5 HZ2 LYS 5 3.574 -3.342 -3.262
52 HZ3 LYS 5 HZ3 LYS 5 3.839 -4.149 -4.675
53 H TRP 6 H TRP 6 10.122 -7.633 0.218
54 HA TRP 6 HA TRP 6 9.337 -10.433 0.284
55 HB2 TRP 6 HB2 TRP 6 10.168 -9.761 -2.113
56 HB3 TRP 6 HB3 TRP 6 11.728 -9.512 -1.389
57 HD1 TRP 6 HD1 TRP 6 13.232 -11.567 -1.375
58 HE1 TRP 6 HE1 TRP 6 12.954 -14.069 -1.928
59 HE3 TRP 6 HE3 TRP 6 8.133 -11.756 -1.771
60 HZ2 TRP 6 HZ2 TRP 6 10.794 -15.909 -2.488
61 HZ3 TRP 6 HZ3 TRP 6 6.990 -13.888 -2.327
62 HH2 TRP 6 HH2 TRP 6 8.315 -15.968 -2.686
63 H LYS 7 H LYS 7 10.471 -11.385 1.998
64 HA LYS 7 HA LYS 7 13.010 -10.390 2.881
65 HB2 LYS 7 HB2 LYS 7 12.455 -9.791 5.174
66 HB3 LYS 7 HB3 LYS 7 11.798 -8.669 4.031
67 HG2 LYS 7 HG2 LYS 7 9.538 -9.412 4.394
68 HG3 LYS 7 HG3 LYS 7 10.048 -10.934 5.065
69 HD2 LYS 7 HD2 LYS 7 9.205 -9.574 6.861
70 HD3 LYS 7 HD3 LYS 7 10.904 -9.886 7.094
71 HE2 LYS 7 HE2 LYS 7 11.434 -7.565 6.201
72 HE3 LYS 7 HE3 LYS 7 9.718 -7.266 6.011
73 HZ1 LYS 7 HZ1 LYS 7 9.472 -7.551 8.394
74 HZ2 LYS 7 HZ2 LYS 7 10.579 -6.382 8.059
75 HZ3 LYS 7 HZ3 LYS 7 11.080 -7.866 8.555
76 H TRP 8 H TRP 8 11.514 -12.945 2.047
77 HA TRP 8 HA TRP 8 13.076 -14.719 3.451
78 HB2 TRP 8 HB2 TRP 8 11.010 -14.238 5.145
79 HB3 TRP 8 HB3 TRP 8 10.153 -15.319 4.097
80 HD1 TRP 8 HD1 TRP 8 13.259 -15.100 6.304
81 HE1 TRP 8 HE1 TRP 8 13.868 -17.416 7.236
82 HE3 TRP 8 HE3 TRP 8 9.780 -17.912 3.815
83 HZ2 TRP 8 HZ2 TRP 8 12.978 -20.158 6.903
84 HZ3 TRP 8 HZ3 TRP 8 9.686 -20.374 4.141
85 HH2 TRP 8 HH2 TRP 8 11.283 -21.498 5.673
86 H THR 9 H THR 9 12.295 -17.064 2.611
87 HA THR 9 HA THR 9 11.266 -16.739 -0.180
88 HB THR 9 HB THR 9 13.654 -16.522 -0.032
89 HG21 THR 9 HG21 THR 9 14.303 -17.983 1.832
90 HG22 THR 9 HG22 THR 9 15.212 -18.334 0.384
91 HG23 THR 9 HG23 THR 9 13.926 -19.417 0.906
92 HA PRO 10 HA PRO 10 9.049 -20.202 1.940
93 HB2 PRO 10 HB2 PRO 10 6.466 -19.350 1.708
94 HB3 PRO 10 HB3 PRO 10 7.541 -18.728 2.951
95 HG2 PRO 10 HG2 PRO 10 6.846 -17.426 0.304
96 HG3 PRO 10 HG3 PRO 10 6.877 -16.670 1.894
97 HD2 PRO 10 HD2 PRO 10 8.989 -16.507 0.115
98 HD3 PRO 10 HD3 PRO 10 9.213 -16.499 1.867
99 H TRP 11 H TRP 11 9.437 -21.763 0.400
100 HA TRP 11 HA TRP 11 8.519 -21.682 -2.321
101 HB2 TRP 11 HB2 TRP 11 10.465 -23.024 -1.379
102 HB3 TRP 11 HB3 TRP 11 9.334 -24.102 -0.617
103 HD1 TRP 11 HD1 TRP 11 7.937 -23.390 -3.943
104 HE1 TRP 11 HE1 TRP 11 8.623 -25.133 -5.667
105 HE3 TRP 11 HE3 TRP 11 11.670 -25.716 -1.308
106 HZ2 TRP 11 HZ2 TRP 11 10.533 -27.311 -5.887
107 HZ3 TRP 11 HZ3 TRP 11 12.915 -27.612 -2.311
108 HH2 TRP 11 HH2 TRP 11 12.357 -28.412 -4.598
109 H ARG 12 H ARG 12 6.347 -21.320 -2.406
110 HA ARG 12 HA ARG 12 4.361 -23.155 -1.119
111 HB2 ARG 12 HB2 ARG 12 4.094 -20.539 -2.721
112 HB3 ARG 12 HB3 ARG 12 2.743 -21.483 -2.158
113 HG2 ARG 12 HG2 ARG 12 3.504 -21.167 0.214
114 HG3 ARG 12 HG3 ARG 12 4.827 -20.176 -0.346
115 HD2 ARG 12 HD2 ARG 12 3.352 -18.416 -1.128
116 HD3 ARG 12 HD3 ARG 12 1.955 -19.476 -1.047
117 HE ARG 12 HE ARG 12 3.408 -18.921 1.442
118 HH11 ARG 12 HH11 ARG 12 0.605 -18.005 -0.557
119 HH12 ARG 12 HH12 ARG 12 -0.328 -17.381 0.740
120 HH21 ARG 12 HH21 ARG 12 2.126 -18.124 3.235
121 HH22 ARG 12 HH22 ARG 12 0.604 -17.394 2.951
122 H ARG 13 H ARG 13 3.010 -24.369 -2.472
123 HA ARG 13 HA ARG 13 3.768 -24.711 -5.344
124 HB2 ARG 13 HB2 ARG 13 2.564 -26.800 -5.237
125 HB3 ARG 13 HB3 ARG 13 3.728 -26.783 -3.951
126 HG2 ARG 13 HG2 ARG 13 1.810 -26.167 -2.339
127 HG3 ARG 13 HG3 ARG 13 0.704 -26.370 -3.665
128 HD2 ARG 13 HD2 ARG 13 0.534 -28.467 -2.800
129 HD3 ARG 13 HD3 ARG 13 1.837 -28.787 -3.902
130 HE ARG 13 HE ARG 13 3.419 -28.490 -2.080
131 HH11 ARG 13 HH11 ARG 13 0.053 -29.262 -1.140
132 HH12 ARG 13 HH12 ARG 13 0.473 -29.934 0.380
133 HH21 ARG 13 HH21 ARG 13 3.978 -29.362 0.009
134 HH22 ARG 13 HH22 ARG 13 2.765 -29.985 1.043
135 HN1 NH2 14 HN1 NH2 14 0.624 -23.368 -6.397
136 HN2 NH2 14 HN2 NH2 14 2.149 -24.082 -6.881
137 H2 BGC 101 H2 BGC 101 13.252 -18.735 -3.876
138 H3 BGC 101 H3 BGC 101 12.569 -21.595 -3.038
139 H4 BGC 101 H4 BGC 101 15.148 -20.497 -4.236
140 H5 BGC 101 H5 BGC 101 14.574 -21.587 -1.425
141 H6C1 BGC 101 H6C1 BGC 101 16.903 -20.781 -0.934
142 H6C2 BGC 101 H6C2 BGC 101 17.122 -20.364 -2.616
143 H1 BGC 101 H1 BGC 101 12.886 -19.893 -1.055
144 HB BGC 101 HB BGC 101 11.098 -19.495 -4.081
145 HC BGC 101 HC BGC 101 13.072 -21.914 -5.287
146 HD BGC 101 HD BGC 101 15.786 -22.696 -3.782
147 H6 BGC 101 H6 BGC 101 16.867 -22.949 -1.461
Start of MODEL 14
1 H1 ILE 1 H1 ILE 1 4.608 1.359 -6.481
2 HA ILE 1 HA ILE 1 5.050 2.326 -4.408
3 HB ILE 1 HB ILE 1 3.856 1.475 -2.398
4 HG12 ILE 1 HG12 ILE 1 1.698 0.294 -4.205
5 HG13 ILE 1 HG13 ILE 1 2.954 -0.684 -3.497
6 HG21 ILE 1 HG21 ILE 1 1.898 2.909 -2.579
7 HG22 ILE 1 HG22 ILE 1 3.217 3.656 -3.444
8 HG23 ILE 1 HG23 ILE 1 1.923 2.846 -4.329
9 HD11 ILE 1 HD11 ILE 1 2.248 0.009 -1.197
10 HD12 ILE 1 HD12 ILE 1 0.915 0.928 -1.897
11 HD13 ILE 1 HD13 ILE 1 0.982 -0.814 -2.092
12 H LEU 2 H LEU 2 6.147 0.931 -2.508
13 HA LEU 2 HA LEU 2 6.774 -1.812 -3.348
14 HB2 LEU 2 HB2 LEU 2 8.408 0.027 -4.344
15 HB3 LEU 2 HB3 LEU 2 9.034 0.123 -2.739
16 HG LEU 2 HG LEU 2 10.394 -1.305 -4.063
17 HD11 LEU 2 HD11 LEU 2 10.078 -2.043 -1.691
18 HD12 LEU 2 HD12 LEU 2 10.520 -3.358 -2.771
19 HD13 LEU 2 HD13 LEU 2 8.858 -3.190 -2.241
20 HD21 LEU 2 HD21 LEU 2 8.757 -1.945 -5.823
21 HD22 LEU 2 HD22 LEU 2 8.023 -3.109 -4.725
22 HD23 LEU 2 HD23 LEU 2 9.686 -3.316 -5.242
23 HA PRO 3 HA PRO 3 5.754 -0.986 1.081
24 HB2 PRO 3 HB2 PRO 3 4.113 -3.103 1.593
25 HB3 PRO 3 HB3 PRO 3 3.615 -1.772 0.567
26 HG2 PRO 3 HG2 PRO 3 4.719 -4.449 -0.308
27 HG3 PRO 3 HG3 PRO 3 3.270 -3.651 -0.908
28 HD2 PRO 3 HD2 PRO 3 5.713 -3.487 -2.188
29 HD3 PRO 3 HD3 PRO 3 4.553 -2.150 -2.243
30 H TRP 4 H TRP 4 8.178 -1.443 1.056
31 HA TRP 4 HA TRP 4 9.864 -2.108 2.346
32 HB2 TRP 4 HB2 TRP 4 8.216 -3.010 4.097
33 HB3 TRP 4 HB3 TRP 4 8.413 -4.577 3.363
34 HD1 TRP 4 HD1 TRP 4 10.368 -5.985 4.171
35 HE1 TRP 4 HE1 TRP 4 12.382 -5.647 5.716
36 HE3 TRP 4 HE3 TRP 4 10.006 -0.925 4.864
37 HZ2 TRP 4 HZ2 TRP 4 13.707 -3.434 7.062
38 HZ3 TRP 4 HZ3 TRP 4 11.646 0.270 6.286
39 HH2 TRP 4 HH2 TRP 4 13.495 -0.974 7.393
40 H LYS 5 H LYS 5 11.466 -4.106 2.425
41 HA LYS 5 HA LYS 5 11.807 -5.002 -0.397
42 HB2 LYS 5 HB2 LYS 5 13.578 -5.133 2.109
43 HB3 LYS 5 HB3 LYS 5 13.964 -5.934 0.611
44 HG2 LYS 5 HG2 LYS 5 13.822 -3.698 -0.589
45 HG3 LYS 5 HG3 LYS 5 13.640 -2.920 0.964
46 HD2 LYS 5 HD2 LYS 5 15.857 -3.846 1.682
47 HD3 LYS 5 HD3 LYS 5 16.013 -4.672 0.148
48 HE2 LYS 5 HE2 LYS 5 15.971 -2.440 -1.048
49 HE3 LYS 5 HE3 LYS 5 15.868 -1.626 0.500
50 HZ1 LYS 5 HZ1 LYS 5 18.105 -1.702 -0.286
51 HZ2 LYS 5 HZ2 LYS 5 18.084 -3.345 -0.396
52 HZ3 LYS 5 HZ3 LYS 5 17.996 -2.616 1.080
53 H TRP 6 H TRP 6 10.119 -6.449 -0.528
54 HA TRP 6 HA TRP 6 9.801 -8.713 1.261
55 HB2 TRP 6 HB2 TRP 6 8.213 -7.438 -0.713
56 HB3 TRP 6 HB3 TRP 6 8.632 -8.927 -1.494
57 HD1 TRP 6 HD1 TRP 6 7.337 -11.048 -0.676
58 HE1 TRP 6 HE1 TRP 6 5.510 -11.489 1.080
59 HE3 TRP 6 HE3 TRP 6 7.439 -6.539 1.753
60 HZ2 TRP 6 HZ2 TRP 6 4.299 -10.076 3.318
61 HZ3 TRP 6 HZ3 TRP 6 5.942 -6.103 3.665
62 HH2 TRP 6 HH2 TRP 6 4.371 -7.862 4.464
63 H LYS 7 H LYS 7 9.629 -10.959 -0.023
64 HA LYS 7 HA LYS 7 11.992 -11.513 -1.652
65 HB2 LYS 7 HB2 LYS 7 12.853 -13.173 0.009
66 HB3 LYS 7 HB3 LYS 7 13.057 -11.528 0.499
67 HG2 LYS 7 HG2 LYS 7 11.622 -11.661 2.281
68 HG3 LYS 7 HG3 LYS 7 10.491 -12.710 1.499
69 HD2 LYS 7 HD2 LYS 7 13.177 -13.687 2.570
70 HD3 LYS 7 HD3 LYS 7 11.679 -13.709 3.473
71 HE2 LYS 7 HE2 LYS 7 10.609 -15.118 1.642
72 HE3 LYS 7 HE3 LYS 7 12.171 -15.196 0.842
73 HZ1 LYS 7 HZ1 LYS 7 11.576 -16.218 3.522
74 HZ2 LYS 7 HZ2 LYS 7 13.052 -16.287 2.777
75 HZ3 LYS 7 HZ3 LYS 7 11.762 -17.096 2.138
76 H TRP 8 H TRP 8 12.069 -13.703 -2.400
77 HA TRP 8 HA TRP 8 9.705 -14.746 -3.411
78 HB2 TRP 8 HB2 TRP 8 12.514 -15.869 -3.063
79 HB3 TRP 8 HB3 TRP 8 11.246 -16.893 -3.649
80 HD1 TRP 8 HD1 TRP 8 10.683 -16.892 -6.067
81 HE1 TRP 8 HE1 TRP 8 11.374 -15.546 -8.141
82 HE3 TRP 8 HE3 TRP 8 13.341 -13.134 -3.777
83 HZ2 TRP 8 HZ2 TRP 8 12.831 -13.121 -8.729
84 HZ3 TRP 8 HZ3 TRP 8 14.346 -11.323 -5.122
85 HH2 TRP 8 HH2 TRP 8 14.101 -11.307 -7.596
86 H THR 9 H THR 9 8.158 -16.012 -2.709
87 HA THR 9 HA THR 9 8.315 -17.516 -0.159
88 HB THR 9 HB THR 9 7.803 -15.198 0.236
89 HG21 THR 9 HG21 THR 9 5.241 -15.376 -1.403
90 HG22 THR 9 HG22 THR 9 6.668 -14.438 -1.791
91 HG23 THR 9 HG23 THR 9 5.758 -14.055 -0.354
92 HA PRO 10 HA PRO 10 6.359 -19.720 -3.730
93 HB2 PRO 10 HB2 PRO 10 7.845 -22.018 -3.778
94 HB3 PRO 10 HB3 PRO 10 8.463 -20.497 -4.402
95 HG2 PRO 10 HG2 PRO 10 8.995 -21.724 -1.687
96 HG3 PRO 10 HG3 PRO 10 10.178 -21.049 -2.805
97 HD2 PRO 10 HD2 PRO 10 9.123 -19.616 -0.685
98 HD3 PRO 10 HD3 PRO 10 9.617 -18.837 -2.196
99 H TRP 11 H TRP 11 4.663 -21.148 -3.666
100 HA TRP 11 HA TRP 11 3.819 -22.413 -1.162
101 HB2 TRP 11 HB2 TRP 11 2.643 -21.769 -3.824
102 HB3 TRP 11 HB3 TRP 11 2.193 -23.354 -3.295
103 HD1 TRP 11 HD1 TRP 11 1.607 -19.738 -2.502
104 HE1 TRP 11 HE1 TRP 11 -0.273 -19.523 -0.765
105 HE3 TRP 11 HE3 TRP 11 1.142 -24.669 -1.210
106 HZ2 TRP 11 HZ2 TRP 11 -1.783 -21.288 0.985
107 HZ3 TRP 11 HZ3 TRP 11 -0.525 -25.377 0.485
108 HH2 TRP 11 HH2 TRP 11 -1.989 -23.696 1.582
109 H ARG 12 H ARG 12 5.340 -23.888 -0.664
110 HA ARG 12 HA ARG 12 6.564 -25.788 -2.450
111 HB2 ARG 12 HB2 ARG 12 7.527 -24.723 -0.389
112 HB3 ARG 12 HB3 ARG 12 6.464 -25.628 0.627
113 HG2 ARG 12 HG2 ARG 12 8.357 -27.076 -1.283
114 HG3 ARG 12 HG3 ARG 12 9.000 -26.309 0.127
115 HD2 ARG 12 HD2 ARG 12 6.973 -27.774 1.301
116 HD3 ARG 12 HD3 ARG 12 7.351 -28.821 -0.030
117 HE ARG 12 HE ARG 12 9.039 -27.906 2.222
118 HH11 ARG 12 HH11 ARG 12 8.848 -30.097 -0.567
119 HH12 ARG 12 HH12 ARG 12 10.160 -31.101 -0.082
120 HH21 ARG 12 HH21 ARG 12 10.851 -29.214 2.875
121 HH22 ARG 12 HH22 ARG 12 11.329 -30.570 1.953
122 H ARG 13 H ARG 13 4.402 -26.362 -3.196
123 HA ARG 13 HA ARG 13 2.264 -27.334 -2.523
124 HB2 ARG 13 HB2 ARG 13 1.904 -28.324 -4.642
125 HB3 ARG 13 HB3 ARG 13 2.980 -26.990 -4.783
126 HG2 ARG 13 HG2 ARG 13 3.966 -28.495 -6.215
127 HG3 ARG 13 HG3 ARG 13 4.925 -28.754 -4.787
128 HD2 ARG 13 HD2 ARG 13 3.867 -30.898 -4.342
129 HD3 ARG 13 HD3 ARG 13 2.473 -30.476 -5.323
130 HE ARG 13 HE ARG 13 5.025 -30.662 -6.731
131 HH11 ARG 13 HH11 ARG 13 2.049 -32.385 -5.796
132 HH12 ARG 13 HH12 ARG 13 2.159 -33.591 -7.011
133 HH21 ARG 13 HH21 ARG 13 5.191 -32.302 -8.414
134 HH22 ARG 13 HH22 ARG 13 4.018 -33.542 -8.524
135 HN1 NH2 14 HN1 NH2 14 2.982 -30.346 -0.423
136 HN2 NH2 14 HN2 NH2 14 3.845 -28.796 -0.491
137 H2 BGC 101 H2 BGC 101 4.836 -16.852 3.164
138 H3 BGC 101 H3 BGC 101 2.985 -18.539 1.407
139 H4 BGC 101 H4 BGC 101 2.423 -15.955 2.938
140 H5 BGC 101 H5 BGC 101 2.601 -16.484 -0.078
141 H6C1 BGC 101 H6C1 BGC 101 2.031 -13.935 1.508
142 H6C2 BGC 101 H6C2 BGC 101 0.979 -14.673 0.310
143 H1 BGC 101 H1 BGC 101 4.817 -17.264 0.120
144 HB BGC 101 HB BGC 101 5.067 -19.156 3.111
145 HC BGC 101 HC BGC 101 1.911 -18.932 3.321
146 HD BGC 101 HD BGC 101 0.569 -17.084 2.918
147 H6 BGC 101 H6 BGC 101 3.648 -13.901 -0.240
Start of MODEL 15
1 H1 ILE 1 H1 ILE 1 0.238 2.238 -4.113
2 HA ILE 1 HA ILE 1 0.446 0.952 -2.095
3 HB ILE 1 HB ILE 1 0.661 -1.311 -3.105
4 HG12 ILE 1 HG12 ILE 1 1.349 -0.013 -5.782
5 HG13 ILE 1 HG13 ILE 1 2.549 -0.737 -4.745
6 HG21 ILE 1 HG21 ILE 1 -1.484 -0.026 -3.278
7 HG22 ILE 1 HG22 ILE 1 -1.017 0.518 -4.890
8 HG23 ILE 1 HG23 ILE 1 -1.278 -1.185 -4.568
9 HD11 ILE 1 HD11 ILE 1 1.376 -2.937 -4.855
10 HD12 ILE 1 HD12 ILE 1 0.205 -2.248 -5.982
11 HD13 ILE 1 HD13 ILE 1 1.898 -2.354 -6.426
12 H LEU 2 H LEU 2 1.972 -1.120 -1.352
13 HA LEU 2 HA LEU 2 4.658 0.009 -0.835
14 HB2 LEU 2 HB2 LEU 2 3.081 -2.441 0.174
15 HB3 LEU 2 HB3 LEU 2 4.775 -2.259 0.459
16 HG LEU 2 HG LEU 2 4.310 -0.008 1.568
17 HD11 LEU 2 HD11 LEU 2 1.439 -1.072 1.606
18 HD12 LEU 2 HD12 LEU 2 1.987 0.437 0.869
19 HD13 LEU 2 HD13 LEU 2 2.041 0.243 2.603
20 HD21 LEU 2 HD21 LEU 2 3.779 -1.086 3.732
21 HD22 LEU 2 HD22 LEU 2 4.963 -2.020 2.839
22 HD23 LEU 2 HD23 LEU 2 3.280 -2.555 2.902
23 HA PRO 3 HA PRO 3 6.340 -2.815 -3.985
24 HB2 PRO 3 HB2 PRO 3 8.981 -2.973 -3.226
25 HB3 PRO 3 HB3 PRO 3 8.261 -1.487 -3.804
26 HG2 PRO 3 HG2 PRO 3 8.699 -2.324 -0.934
27 HG3 PRO 3 HG3 PRO 3 9.130 -0.789 -1.678
28 HD2 PRO 3 HD2 PRO 3 6.795 -1.120 -0.250
29 HD3 PRO 3 HD3 PRO 3 6.881 -0.027 -1.633
30 H TRP 4 H TRP 4 7.946 -4.822 -3.960
31 HA TRP 4 HA TRP 4 6.659 -7.046 -2.983
32 HB2 TRP 4 HB2 TRP 4 8.420 -8.306 -3.937
33 HB3 TRP 4 HB3 TRP 4 8.286 -6.901 -4.930
34 HD1 TRP 4 HD1 TRP 4 10.205 -4.859 -3.880
35 HE1 TRP 4 HE1 TRP 4 12.728 -5.258 -3.640
36 HE3 TRP 4 HE3 TRP 4 10.213 -9.987 -3.665
37 HZ2 TRP 4 HZ2 TRP 4 14.522 -7.503 -3.378
38 HZ3 TRP 4 HZ3 TRP 4 12.348 -11.220 -3.469
39 HH2 TRP 4 HH2 TRP 4 14.509 -9.988 -3.320
40 H LYS 5 H LYS 5 7.888 -8.907 -1.790
41 HA LYS 5 HA LYS 5 9.087 -8.026 0.783
42 HB2 LYS 5 HB2 LYS 5 6.678 -9.816 0.262
43 HB3 LYS 5 HB3 LYS 5 7.827 -10.374 1.421
44 HG2 LYS 5 HG2 LYS 5 6.010 -9.231 2.517
45 HG3 LYS 5 HG3 LYS 5 7.526 -8.474 2.881
46 HD2 LYS 5 HD2 LYS 5 6.035 -7.291 0.553
47 HD3 LYS 5 HD3 LYS 5 5.204 -7.176 2.067
48 HE2 LYS 5 HE2 LYS 5 6.895 -5.851 3.114
49 HE3 LYS 5 HE3 LYS 5 8.119 -6.297 1.951
50 HZ1 LYS 5 HZ1 LYS 5 5.796 -4.639 1.254
51 HZ2 LYS 5 HZ2 LYS 5 7.033 -5.073 0.275
52 HZ3 LYS 5 HZ3 LYS 5 7.336 -4.098 1.551
53 H TRP 6 H TRP 6 11.054 -8.934 0.927
54 HA TRP 6 HA TRP 6 11.858 -11.175 -0.840
55 HB2 TRP 6 HB2 TRP 6 13.360 -9.157 -0.495
56 HB3 TRP 6 HB3 TRP 6 13.343 -9.444 1.220
57 HD1 TRP 6 HD1 TRP 6 14.030 -12.018 -1.591
58 HE1 TRP 6 HE1 TRP 6 16.352 -13.049 -1.214
59 HE3 TRP 6 HE3 TRP 6 15.512 -9.248 2.463
60 HZ2 TRP 6 HZ2 TRP 6 18.571 -12.714 0.607
61 HZ3 TRP 6 HZ3 TRP 6 17.744 -9.606 3.476
62 HH2 TRP 6 HH2 TRP 6 19.282 -11.326 2.553
63 H LYS 7 H LYS 7 12.376 -13.189 0.073
64 HA LYS 7 HA LYS 7 12.867 -13.605 2.800
65 HB2 LYS 7 HB2 LYS 7 10.242 -13.624 2.696
66 HB3 LYS 7 HB3 LYS 7 10.394 -15.087 1.769
67 HG2 LYS 7 HG2 LYS 7 11.725 -16.080 3.713
68 HG3 LYS 7 HG3 LYS 7 11.398 -14.647 4.635
69 HD2 LYS 7 HD2 LYS 7 9.306 -16.579 3.491
70 HD3 LYS 7 HD3 LYS 7 9.871 -16.621 5.126
71 HE2 LYS 7 HE2 LYS 7 8.307 -14.297 3.867
72 HE3 LYS 7 HE3 LYS 7 7.634 -15.550 4.885
73 HZ1 LYS 7 HZ1 LYS 7 9.059 -14.837 6.662
74 HZ2 LYS 7 HZ2 LYS 7 8.089 -13.614 6.141
75 HZ3 LYS 7 HZ3 LYS 7 9.685 -13.631 5.729
76 H TRP 8 H TRP 8 14.138 -15.488 2.932
77 HA TRP 8 HA TRP 8 15.196 -16.631 0.535
78 HB2 TRP 8 HB2 TRP 8 16.007 -16.305 3.199
79 HB3 TRP 8 HB3 TRP 8 15.667 -18.001 3.182
80 HD1 TRP 8 HD1 TRP 8 17.050 -19.387 1.149
81 HE1 TRP 8 HE1 TRP 8 19.498 -19.113 0.455
82 HE3 TRP 8 HE3 TRP 8 17.898 -14.675 2.991
83 HZ2 TRP 8 HZ2 TRP 8 21.588 -17.108 0.694
84 HZ3 TRP 8 HZ3 TRP 8 20.135 -13.633 2.781
85 HH2 TRP 8 HH2 TRP 8 21.981 -14.836 1.630
86 H THR 9 H THR 9 12.252 -17.206 1.505
87 HA THR 9 HA THR 9 11.998 -19.925 0.550
88 HB THR 9 HB THR 9 12.598 -20.341 2.806
89 HG21 THR 9 HG21 THR 9 11.928 -18.365 4.056
90 HG22 THR 9 HG22 THR 9 11.308 -19.820 4.792
91 HG23 THR 9 HG23 THR 9 10.226 -18.771 3.877
92 HA PRO 10 HA PRO 10 9.019 -16.567 -0.591
93 HB2 PRO 10 HB2 PRO 10 9.173 -16.689 -3.310
94 HB3 PRO 10 HB3 PRO 10 10.461 -16.011 -2.331
95 HG2 PRO 10 HG2 PRO 10 10.323 -18.805 -3.479
96 HG3 PRO 10 HG3 PRO 10 11.673 -17.677 -3.568
97 HD2 PRO 10 HD2 PRO 10 11.517 -19.661 -1.662
98 HD3 PRO 10 HD3 PRO 10 12.299 -18.110 -1.326
99 H TRP 11 H TRP 11 7.494 -18.077 0.490
100 HA TRP 11 HA TRP 11 6.044 -20.096 -0.956
101 HB2 TRP 11 HB2 TRP 11 6.152 -19.915 1.540
102 HB3 TRP 11 HB3 TRP 11 5.212 -18.455 1.498
103 HD1 TRP 11 HD1 TRP 11 4.911 -22.212 0.794
104 HE1 TRP 11 HE1 TRP 11 2.467 -22.938 0.998
105 HE3 TRP 11 HE3 TRP 11 2.751 -17.609 1.390
106 HZ2 TRP 11 HZ2 TRP 11 -0.114 -21.684 1.403
107 HZ3 TRP 11 HZ3 TRP 11 0.297 -17.406 1.723
108 HH2 TRP 11 HH2 TRP 11 -1.141 -19.440 1.729
109 H ARG 12 H ARG 12 4.531 -19.829 -2.455
110 HA ARG 12 HA ARG 12 3.327 -17.158 -3.077
111 HB2 ARG 12 HB2 ARG 12 3.572 -19.803 -4.629
112 HB3 ARG 12 HB3 ARG 12 2.673 -18.420 -5.194
113 HG2 ARG 12 HG2 ARG 12 4.715 -17.050 -5.340
114 HG3 ARG 12 HG3 ARG 12 5.657 -18.277 -4.550
115 HD2 ARG 12 HD2 ARG 12 6.088 -18.310 -6.959
116 HD3 ARG 12 HD3 ARG 12 5.427 -19.827 -6.422
117 HE ARG 12 HE ARG 12 3.234 -19.149 -7.208
118 HH11 ARG 12 HH11 ARG 12 6.046 -17.576 -8.729
119 HH12 ARG 12 HH12 ARG 12 5.274 -17.278 -10.234
120 HH21 ARG 12 HH21 ARG 12 2.151 -18.714 -9.225
121 HH22 ARG 12 HH22 ARG 12 2.975 -17.936 -10.508
122 H ARG 13 H ARG 13 1.241 -16.927 -2.454
123 HA ARG 13 HA ARG 13 -0.350 -19.064 -1.310
124 HB2 ARG 13 HB2 ARG 13 -2.034 -17.353 -1.021
125 HB3 ARG 13 HB3 ARG 13 -0.498 -16.679 -0.578
126 HG2 ARG 13 HG2 ARG 13 -0.413 -15.541 -2.875
127 HG3 ARG 13 HG3 ARG 13 -2.027 -16.138 -3.175
128 HD2 ARG 13 HD2 ARG 13 -2.789 -14.918 -1.058
129 HD3 ARG 13 HD3 ARG 13 -1.206 -14.157 -1.005
130 HE ARG 13 HE ARG 13 -2.266 -13.881 -3.609
131 HH11 ARG 13 HH11 ARG 13 -2.961 -12.655 -0.342
132 HH12 ARG 13 HH12 ARG 13 -3.775 -11.240 -0.866
133 HH21 ARG 13 HH21 ARG 13 -3.384 -11.966 -4.352
134 HH22 ARG 13 HH22 ARG 13 -3.997 -10.832 -3.229
135 HN1 NH2 14 HN1 NH2 14 -2.325 -20.132 -4.076
136 HN2 NH2 14 HN2 NH2 14 -1.912 -20.332 -2.385
137 H2 BGC 101 H2 BGC 101 9.428 -23.352 2.674
138 H3 BGC 101 H3 BGC 101 6.744 -21.997 2.180
139 H4 BGC 101 H4 BGC 101 7.705 -23.122 4.836
140 H5 BGC 101 H5 BGC 101 7.281 -20.236 3.884
141 H6C1 BGC 101 H6C1 BGC 101 8.017 -21.303 6.645
142 H6C2 BGC 101 H6C2 BGC 101 6.647 -20.281 6.244
143 H1 BGC 101 H1 BGC 101 8.971 -20.348 2.300
144 HB BGC 101 HB BGC 101 8.491 -23.375 0.567
145 HC BGC 101 HC BGC 101 7.418 -24.668 2.942
146 HD BGC 101 HD BGC 101 5.436 -23.252 4.152
147 H6 BGC 101 H6 BGC 101 9.400 -19.651 5.902
Start of MODEL 16
1 H1 ILE 1 H1 ILE 1 3.932 -2.202 4.460
2 HA ILE 1 HA ILE 1 3.369 -2.812 2.277
3 HB ILE 1 HB ILE 1 4.144 -1.371 0.399
4 HG12 ILE 1 HG12 ILE 1 4.518 0.923 2.384
5 HG13 ILE 1 HG13 ILE 1 5.844 0.002 1.725
6 HG21 ILE 1 HG21 ILE 1 2.235 0.138 0.380
7 HG22 ILE 1 HG22 ILE 1 1.750 -1.348 1.155
8 HG23 ILE 1 HG23 ILE 1 2.081 0.089 2.126
9 HD11 ILE 1 HD11 ILE 1 5.593 2.030 0.426
10 HD12 ILE 1 HD12 ILE 1 5.196 0.659 -0.597
11 HD13 ILE 1 HD13 ILE 1 3.914 1.680 0.060
12 H LEU 2 H LEU 2 5.226 -3.415 0.592
13 HA LEU 2 HA LEU 2 7.790 -3.891 2.034
14 HB2 LEU 2 HB2 LEU 2 6.349 -5.150 -0.374
15 HB3 LEU 2 HB3 LEU 2 8.067 -5.239 -0.265
16 HG LEU 2 HG LEU 2 7.902 -6.314 1.994
17 HD11 LEU 2 HD11 LEU 2 4.918 -6.513 1.341
18 HD12 LEU 2 HD12 LEU 2 5.637 -5.700 2.734
19 HD13 LEU 2 HD13 LEU 2 5.733 -7.441 2.593
20 HD21 LEU 2 HD21 LEU 2 6.569 -7.828 -0.288
21 HD22 LEU 2 HD22 LEU 2 7.391 -8.548 1.087
22 HD23 LEU 2 HD23 LEU 2 8.305 -7.619 -0.092
23 HA PRO 3 HA PRO 3 9.485 -0.793 -0.837
24 HB2 PRO 3 HB2 PRO 3 12.122 -1.556 -1.044
25 HB3 PRO 3 HB3 PRO 3 11.443 -0.935 0.450
26 HG2 PRO 3 HG2 PRO 3 11.870 -3.828 -0.316
27 HG3 PRO 3 HG3 PRO 3 12.311 -3.049 1.200
28 HD2 PRO 3 HD2 PRO 3 9.988 -4.506 0.880
29 HD3 PRO 3 HD3 PRO 3 10.064 -3.126 1.982
30 H TRP 4 H TRP 4 10.722 -0.691 -2.990
31 HA TRP 4 HA TRP 4 9.381 -2.233 -4.969
32 HB2 TRP 4 HB2 TRP 4 11.752 -0.293 -5.139
33 HB3 TRP 4 HB3 TRP 4 10.907 -0.914 -6.520
34 HD1 TRP 4 HD1 TRP 4 8.349 -0.008 -4.011
35 HE1 TRP 4 HE1 TRP 4 7.259 2.214 -4.677
36 HE3 TRP 4 HE3 TRP 4 11.655 1.472 -7.633
37 HZ2 TRP 4 HZ2 TRP 4 7.741 4.362 -6.568
38 HZ3 TRP 4 HZ3 TRP 4 11.297 3.589 -8.873
39 HH2 TRP 4 HH2 TRP 4 9.344 5.036 -8.348
40 H LYS 5 H LYS 5 11.416 -3.785 -3.200
41 HA LYS 5 HA LYS 5 12.390 -5.460 -5.348
42 HB2 LYS 5 HB2 LYS 5 14.399 -4.476 -3.270
43 HB3 LYS 5 HB3 LYS 5 14.641 -5.781 -4.396
44 HG2 LYS 5 HG2 LYS 5 14.149 -4.003 -6.282
45 HG3 LYS 5 HG3 LYS 5 14.319 -2.820 -5.024
46 HD2 LYS 5 HD2 LYS 5 16.420 -2.861 -6.006
47 HD3 LYS 5 HD3 LYS 5 16.666 -3.813 -4.563
48 HE2 LYS 5 HE2 LYS 5 16.488 -5.925 -5.924
49 HE3 LYS 5 HE3 LYS 5 16.075 -4.993 -7.349
50 HZ1 LYS 5 HZ1 LYS 5 18.361 -5.598 -7.356
51 HZ2 LYS 5 HZ2 LYS 5 18.641 -4.832 -5.924
52 HZ3 LYS 5 HZ3 LYS 5 18.224 -3.964 -7.260
53 H TRP 6 H TRP 6 11.795 -7.424 -4.882
54 HA TRP 6 HA TRP 6 10.606 -8.115 -2.309
55 HB2 TRP 6 HB2 TRP 6 9.908 -8.759 -4.803
56 HB3 TRP 6 HB3 TRP 6 11.152 -9.963 -4.696
57 HD1 TRP 6 HD1 TRP 6 10.539 -12.138 -3.421
58 HE1 TRP 6 HE1 TRP 6 8.363 -13.094 -2.471
59 HE3 TRP 6 HE3 TRP 6 7.696 -7.888 -3.516
60 HZ2 TRP 6 HZ2 TRP 6 5.681 -12.132 -1.855
61 HZ3 TRP 6 HZ3 TRP 6 5.320 -7.948 -2.823
62 HH2 TRP 6 HH2 TRP 6 4.306 -10.062 -1.986
63 H LYS 7 H LYS 7 11.429 -9.837 -0.970
64 HA LYS 7 HA LYS 7 13.957 -11.146 -1.553
65 HB2 LYS 7 HB2 LYS 7 15.195 -10.417 0.346
66 HB3 LYS 7 HB3 LYS 7 14.859 -9.061 -0.665
67 HG2 LYS 7 HG2 LYS 7 13.465 -8.013 0.857
68 HG3 LYS 7 HG3 LYS 7 12.861 -9.460 1.565
69 HD2 LYS 7 HD2 LYS 7 15.600 -8.218 2.090
70 HD3 LYS 7 HD3 LYS 7 14.238 -8.190 3.162
71 HE2 LYS 7 HE2 LYS 7 15.946 -10.631 2.437
72 HE3 LYS 7 HE3 LYS 7 15.819 -9.842 3.982
73 HZ1 LYS 7 HZ1 LYS 7 13.478 -10.569 4.052
74 HZ2 LYS 7 HZ2 LYS 7 14.541 -11.825 3.965
75 HZ3 LYS 7 HZ3 LYS 7 13.707 -11.382 2.625
76 H TRP 8 H TRP 8 11.694 -12.402 -1.581
77 HA TRP 8 HA TRP 8 11.779 -14.194 0.666
78 HB2 TRP 8 HB2 TRP 8 10.176 -12.480 1.522
79 HB3 TRP 8 HB3 TRP 8 9.245 -12.597 0.053
80 HD1 TRP 8 HD1 TRP 8 10.544 -15.394 2.380
81 HE1 TRP 8 HE1 TRP 8 8.657 -17.055 2.772
82 HE3 TRP 8 HE3 TRP 8 6.738 -12.817 0.127
83 HZ2 TRP 8 HZ2 TRP 8 5.766 -17.148 2.389
84 HZ3 TRP 8 HZ3 TRP 8 4.417 -13.695 0.187
85 HH2 TRP 8 HH2 TRP 8 3.925 -15.861 1.309
86 H THR 9 H THR 9 10.013 -16.023 0.109
87 HA THR 9 HA THR 9 10.020 -16.565 -2.783
88 HB THR 9 HB THR 9 10.768 -18.812 -2.503
89 HG21 THR 9 HG21 THR 9 12.938 -16.824 -1.676
90 HG22 THR 9 HG22 THR 9 12.423 -17.201 -3.309
91 HG23 THR 9 HG23 THR 9 13.196 -18.441 -2.333
92 HA PRO 10 HA PRO 10 5.947 -17.469 -0.854
93 HB2 PRO 10 HB2 PRO 10 4.348 -16.647 -2.943
94 HB3 PRO 10 HB3 PRO 10 5.061 -15.530 -1.794
95 HG2 PRO 10 HG2 PRO 10 6.027 -16.192 -4.566
96 HG3 PRO 10 HG3 PRO 10 5.929 -14.604 -3.816
97 HD2 PRO 10 HD2 PRO 10 8.247 -16.108 -3.976
98 HD3 PRO 10 HD3 PRO 10 7.979 -14.954 -2.660
99 H TRP 11 H TRP 11 5.203 -19.570 -0.914
100 HA TRP 11 HA TRP 11 4.791 -20.952 -3.404
101 HB2 TRP 11 HB2 TRP 11 7.294 -21.330 -2.741
102 HB3 TRP 11 HB3 TRP 11 6.682 -22.321 -1.449
103 HD1 TRP 11 HD1 TRP 11 6.378 -24.782 -2.101
104 HE1 TRP 11 HE1 TRP 11 6.280 -26.143 -4.275
105 HE3 TRP 11 HE3 TRP 11 6.405 -20.926 -5.467
106 HZ2 TRP 11 HZ2 TRP 11 6.185 -25.617 -7.134
107 HZ3 TRP 11 HZ3 TRP 11 6.324 -21.378 -7.902
108 HH2 TRP 11 HH2 TRP 11 6.222 -23.716 -8.744
109 H ARG 12 H ARG 12 4.017 -23.308 -2.798
110 HA ARG 12 HA ARG 12 1.900 -23.007 -0.679
111 HB2 ARG 12 HB2 ARG 12 1.979 -24.616 -3.294
112 HB3 ARG 12 HB3 ARG 12 0.737 -24.783 -2.084
113 HG2 ARG 12 HG2 ARG 12 0.099 -22.389 -2.359
114 HG3 ARG 12 HG3 ARG 12 1.346 -22.176 -3.559
115 HD2 ARG 12 HD2 ARG 12 0.242 -23.619 -5.162
116 HD3 ARG 12 HD3 ARG 12 -0.839 -24.259 -3.932
117 HE ARG 12 HE ARG 12 -1.071 -21.406 -4.210
118 HH11 ARG 12 HH11 ARG 12 -2.062 -24.423 -5.816
119 HH12 ARG 12 HH12 ARG 12 -3.549 -23.814 -6.417
120 HH21 ARG 12 HH21 ARG 12 -3.135 -20.567 -4.975
121 HH22 ARG 12 HH22 ARG 12 -4.135 -21.529 -5.974
122 H ARG 13 H ARG 13 2.095 -24.429 0.963
123 HA ARG 13 HA ARG 13 4.281 -26.249 1.261
124 HB2 ARG 13 HB2 ARG 13 3.244 -26.724 3.444
125 HB3 ARG 13 HB3 ARG 13 3.415 -25.035 3.166
126 HG2 ARG 13 HG2 ARG 13 1.188 -24.624 3.380
127 HG3 ARG 13 HG3 ARG 13 0.719 -25.902 2.310
128 HD2 ARG 13 HD2 ARG 13 1.532 -26.402 5.229
129 HD3 ARG 13 HD3 ARG 13 -0.119 -26.146 4.687
130 HE ARG 13 HE ARG 13 1.218 -28.150 3.118
131 HH11 ARG 13 HH11 ARG 13 -0.495 -27.756 6.233
132 HH12 ARG 13 HH12 ARG 13 -0.979 -29.401 6.354
133 HH21 ARG 13 HH21 ARG 13 0.608 -30.329 3.274
134 HH22 ARG 13 HH22 ARG 13 -0.308 -30.941 4.595
135 HN1 NH2 14 HN1 NH2 14 2.577 -28.844 -0.692
136 HN2 NH2 14 HN2 NH2 14 3.396 -27.295 -0.940
137 H2 BGC 101 H2 BGC 101 11.706 -19.866 1.851
138 H3 BGC 101 H3 BGC 101 12.041 -17.066 3.024
139 H4 BGC 101 H4 BGC 101 14.168 -19.229 2.972
140 H5 BGC 101 H5 BGC 101 14.165 -16.803 1.109
141 H6C1 BGC 101 H6C1 BGC 101 15.919 -18.081 -0.096
142 H6C2 BGC 101 H6C2 BGC 101 15.792 -19.395 1.051
143 H1 BGC 101 H1 BGC 101 11.970 -17.144 0.480
144 HB BGC 101 HB BGC 101 9.733 -18.842 1.134
145 HC BGC 101 HC BGC 101 10.966 -18.763 4.206
146 HD BGC 101 HD BGC 101 15.477 -17.389 3.400
147 H6 BGC 101 H6 BGC 101 17.550 -18.006 1.528
Start of MODEL 17
1 H1 ILE 1 H1 ILE 1 5.864 2.153 -6.178
2 HA ILE 1 HA ILE 1 7.224 0.275 -6.103
3 HB ILE 1 HB ILE 1 9.471 2.292 -5.607
4 HG12 ILE 1 HG12 ILE 1 8.936 2.284 -7.995
5 HG13 ILE 1 HG13 ILE 1 10.488 1.602 -7.689
6 HG21 ILE 1 HG21 ILE 1 10.033 0.360 -4.284
7 HG22 ILE 1 HG22 ILE 1 9.677 -0.749 -5.610
8 HG23 ILE 1 HG23 ILE 1 11.050 0.348 -5.701
9 HD11 ILE 1 HD11 ILE 1 7.982 -0.064 -8.314
10 HD12 ILE 1 HD12 ILE 1 9.317 0.282 -9.395
11 HD13 ILE 1 HD13 ILE 1 9.587 -0.723 -7.990
12 H LEU 2 H LEU 2 7.556 -0.773 -3.966
13 HA LEU 2 HA LEU 2 6.344 0.757 -1.764
14 HB2 LEU 2 HB2 LEU 2 7.085 -2.202 -2.187
15 HB3 LEU 2 HB3 LEU 2 6.543 -1.562 -0.673
16 HG LEU 2 HG LEU 2 4.423 -0.748 -1.746
17 HD11 LEU 2 HD11 LEU 2 5.309 -2.525 -4.080
18 HD12 LEU 2 HD12 LEU 2 4.926 -0.799 -4.153
19 HD13 LEU 2 HD13 LEU 2 3.668 -1.957 -3.817
20 HD21 LEU 2 HD21 LEU 2 4.915 -3.759 -1.706
21 HD22 LEU 2 HD22 LEU 2 3.348 -2.963 -1.592
22 HD23 LEU 2 HD23 LEU 2 4.527 -2.756 -0.311
23 HA PRO 3 HA PRO 3 10.340 1.533 0.070
24 HB2 PRO 3 HB2 PRO 3 9.719 1.909 2.738
25 HB3 PRO 3 HB3 PRO 3 9.311 3.036 1.460
26 HG2 PRO 3 HG2 PRO 3 7.514 0.992 2.747
27 HG3 PRO 3 HG3 PRO 3 7.129 2.646 2.309
28 HD2 PRO 3 HD2 PRO 3 6.440 0.463 0.739
29 HD3 PRO 3 HD3 PRO 3 6.756 2.065 0.058
30 H TRP 4 H TRP 4 8.683 -0.570 2.481
31 HA TRP 4 HA TRP 4 10.891 -2.574 2.356
32 HB2 TRP 4 HB2 TRP 4 9.968 -1.829 4.635
33 HB3 TRP 4 HB3 TRP 4 8.421 -2.500 4.189
34 HD1 TRP 4 HD1 TRP 4 12.104 -3.641 4.431
35 HE1 TRP 4 HE1 TRP 4 12.203 -6.088 5.213
36 HE3 TRP 4 HE3 TRP 4 7.078 -4.607 4.770
37 HZ2 TRP 4 HZ2 TRP 4 10.349 -8.207 5.849
38 HZ3 TRP 4 HZ3 TRP 4 6.281 -6.840 5.494
39 HH2 TRP 4 HH2 TRP 4 7.913 -8.644 6.034
40 H LYS 5 H LYS 5 10.013 -4.892 2.080
41 HA LYS 5 HA LYS 5 7.494 -5.259 0.804
42 HB2 LYS 5 HB2 LYS 5 8.319 -6.137 -1.337
43 HB3 LYS 5 HB3 LYS 5 8.527 -4.430 -1.208
44 HG2 LYS 5 HG2 LYS 5 10.985 -5.869 -0.333
45 HG3 LYS 5 HG3 LYS 5 10.464 -6.423 -1.881
46 HD2 LYS 5 HD2 LYS 5 12.063 -4.658 -2.202
47 HD3 LYS 5 HD3 LYS 5 10.516 -4.083 -2.778
48 HE2 LYS 5 HE2 LYS 5 10.179 -2.792 -0.693
49 HE3 LYS 5 HE3 LYS 5 11.638 -3.468 0.019
50 HZ1 LYS 5 HZ1 LYS 5 12.878 -2.254 -1.691
51 HZ2 LYS 5 HZ2 LYS 5 11.925 -1.331 -0.697
52 HZ3 LYS 5 HZ3 LYS 5 11.431 -1.594 -2.228
53 H TRP 6 H TRP 6 6.815 -7.266 1.273
54 HA TRP 6 HA TRP 6 8.559 -9.055 2.816
55 HB2 TRP 6 HB2 TRP 6 5.884 -8.417 2.929
56 HB3 TRP 6 HB3 TRP 6 5.725 -9.840 1.970
57 HD1 TRP 6 HD1 TRP 6 4.989 -8.995 5.088
58 HE1 TRP 6 HE1 TRP 6 5.372 -10.751 6.902
59 HE3 TRP 6 HE3 TRP 6 8.274 -12.084 2.590
60 HZ2 TRP 6 HZ2 TRP 6 6.905 -13.172 7.251
61 HZ3 TRP 6 HZ3 TRP 6 9.154 -14.091 3.696
62 HH2 TRP 6 HH2 TRP 6 8.485 -14.655 6.026
63 H LYS 7 H LYS 7 6.314 -9.601 0.099
64 HA LYS 7 HA LYS 7 6.216 -10.882 -1.688
65 HB2 LYS 7 HB2 LYS 7 8.470 -9.614 -2.232
66 HB3 LYS 7 HB3 LYS 7 9.240 -11.120 -1.913
67 HG2 LYS 7 HG2 LYS 7 7.340 -10.372 -4.160
68 HG3 LYS 7 HG3 LYS 7 8.934 -11.062 -4.262
69 HD2 LYS 7 HD2 LYS 7 7.866 -13.230 -3.243
70 HD3 LYS 7 HD3 LYS 7 6.331 -12.461 -3.502
71 HE2 LYS 7 HE2 LYS 7 6.457 -13.760 -5.376
72 HE3 LYS 7 HE3 LYS 7 7.128 -12.285 -6.043
73 HZ1 LYS 7 HZ1 LYS 7 8.348 -14.428 -6.443
74 HZ2 LYS 7 HZ2 LYS 7 8.692 -14.523 -4.893
75 HZ3 LYS 7 HZ3 LYS 7 9.323 -13.260 -5.758
76 H TRP 8 H TRP 8 5.246 -12.502 -0.325
77 HA TRP 8 HA TRP 8 6.711 -14.751 0.706
78 HB2 TRP 8 HB2 TRP 8 3.832 -14.034 0.236
79 HB3 TRP 8 HB3 TRP 8 4.176 -15.725 0.097
80 HD1 TRP 8 HD1 TRP 8 5.154 -12.991 2.640
81 HE1 TRP 8 HE1 TRP 8 5.059 -13.977 4.988
82 HE3 TRP 8 HE3 TRP 8 3.694 -17.757 1.442
83 HZ2 TRP 8 HZ2 TRP 8 4.398 -16.532 6.220
84 HZ3 TRP 8 HZ3 TRP 8 3.343 -19.445 3.223
85 HH2 TRP 8 HH2 TRP 8 3.697 -18.841 5.613
86 H THR 9 H THR 9 7.534 -16.478 -0.309
87 HA THR 9 HA THR 9 6.842 -17.088 -3.095
88 HB THR 9 HB THR 9 8.649 -15.207 -2.689
89 HG21 THR 9 HG21 THR 9 10.927 -15.670 -2.754
90 HG22 THR 9 HG22 THR 9 10.700 -17.403 -2.692
91 HG23 THR 9 HG23 THR 9 10.259 -16.410 -1.311
92 HA PRO 10 HA PRO 10 7.716 -20.630 -0.203
93 HB2 PRO 10 HB2 PRO 10 5.299 -21.929 -0.160
94 HB3 PRO 10 HB3 PRO 10 5.616 -20.480 0.784
95 HG2 PRO 10 HG2 PRO 10 4.196 -20.665 -1.879
96 HG3 PRO 10 HG3 PRO 10 3.680 -19.778 -0.449
97 HD2 PRO 10 HD2 PRO 10 5.026 -18.575 -2.547
98 HD3 PRO 10 HD3 PRO 10 5.199 -18.034 -0.873
99 H TRP 11 H TRP 11 8.991 -22.108 -1.217
100 HA TRP 11 HA TRP 11 8.546 -23.365 -3.727
101 HB2 TRP 11 HB2 TRP 11 10.729 -23.150 -2.343
102 HB3 TRP 11 HB3 TRP 11 10.162 -24.426 -1.324
103 HD1 TRP 11 HD1 TRP 11 9.725 -26.854 -2.726
104 HE1 TRP 11 HE1 TRP 11 11.249 -27.928 -4.500
105 HE3 TRP 11 HE3 TRP 11 12.418 -22.725 -4.104
106 HZ2 TRP 11 HZ2 TRP 11 13.322 -27.088 -6.328
107 HZ3 TRP 11 HZ3 TRP 11 14.156 -22.888 -5.866
108 HH2 TRP 11 HH2 TRP 11 14.613 -25.061 -6.985
109 H ARG 12 H ARG 12 7.863 -24.327 -0.393
110 HA ARG 12 HA ARG 12 6.786 -26.984 -1.049
111 HB2 ARG 12 HB2 ARG 12 8.292 -26.216 0.942
112 HB3 ARG 12 HB3 ARG 12 6.892 -25.511 1.663
113 HG2 ARG 12 HG2 ARG 12 7.065 -28.470 0.868
114 HG3 ARG 12 HG3 ARG 12 7.745 -27.871 2.343
115 HD2 ARG 12 HD2 ARG 12 5.226 -26.888 2.675
116 HD3 ARG 12 HD3 ARG 12 4.823 -28.260 1.676
117 HE ARG 12 HE ARG 12 5.890 -28.100 4.387
118 HH11 ARG 12 HH11 ARG 12 5.346 -30.380 1.708
119 HH12 ARG 12 HH12 ARG 12 5.430 -31.795 2.678
120 HH21 ARG 12 HH21 ARG 12 5.970 -30.018 5.731
121 HH22 ARG 12 HH22 ARG 12 5.775 -31.571 5.041
122 H ARG 13 H ARG 13 5.399 -25.413 -2.398
123 HA ARG 13 HA ARG 13 3.669 -23.626 -2.053
124 HB2 ARG 13 HB2 ARG 13 2.619 -24.187 -4.126
125 HB3 ARG 13 HB3 ARG 13 4.305 -24.530 -4.152
126 HG2 ARG 13 HG2 ARG 13 3.384 -26.329 -5.298
127 HG3 ARG 13 HG3 ARG 13 3.710 -27.020 -3.734
128 HD2 ARG 13 HD2 ARG 13 1.348 -27.002 -3.131
129 HD3 ARG 13 HD3 ARG 13 0.956 -25.875 -4.427
130 HE ARG 13 HE ARG 13 2.014 -28.181 -5.604
131 HH11 ARG 13 HH11 ARG 13 -0.870 -27.079 -3.844
132 HH12 ARG 13 HH12 ARG 13 -1.957 -28.217 -4.531
133 HH21 ARG 13 HH21 ARG 13 0.537 -29.773 -6.580
134 HH22 ARG 13 HH22 ARG 13 -1.118 -29.794 -6.140
135 HN1 NH2 14 HN1 NH2 14 1.193 -25.048 0.348
136 HN2 NH2 14 HN2 NH2 14 2.966 -25.173 0.343
137 H2 BGC 101 H2 BGC 101 10.082 -16.736 -6.692
138 H3 BGC 101 H3 BGC 101 7.890 -18.763 -7.344
139 H4 BGC 101 H4 BGC 101 10.918 -19.026 -7.041
140 H5 BGC 101 H5 BGC 101 8.679 -20.111 -5.244
141 H6C1 BGC 101 H6C1 BGC 101 11.721 -20.095 -4.856
142 H6C2 BGC 101 H6C2 BGC 101 10.780 -21.513 -5.278
143 H1 BGC 101 H1 BGC 101 7.784 -17.854 -4.967
144 HB BGC 101 HB BGC 101 8.162 -16.301 -8.075
145 HC BGC 101 HC BGC 101 9.341 -18.923 -9.241
146 HD BGC 101 HD BGC 101 8.953 -21.049 -7.490
147 H6 BGC 101 H6 BGC 101 10.237 -19.919 -2.971
Start of MODEL 18
1 H1 ILE 1 H1 ILE 1 0.999 -2.534 1.647
2 HA ILE 1 HA ILE 1 3.289 -2.142 3.337
3 HB ILE 1 HB ILE 1 2.416 -4.774 2.022
4 HG12 ILE 1 HG12 ILE 1 2.478 -5.477 4.623
5 HG13 ILE 1 HG13 ILE 1 2.002 -3.839 4.876
6 HG21 ILE 1 HG21 ILE 1 4.866 -4.600 2.133
7 HG22 ILE 1 HG22 ILE 1 4.790 -4.219 3.854
8 HG23 ILE 1 HG23 ILE 1 4.298 -5.797 3.260
9 HD11 ILE 1 HD11 ILE 1 0.553 -5.940 3.142
10 HD12 ILE 1 HD12 ILE 1 0.065 -5.419 4.740
11 HD13 ILE 1 HD13 ILE 1 -0.070 -4.313 3.388
12 H LEU 2 H LEU 2 5.264 -2.224 1.840
13 HA LEU 2 HA LEU 2 4.711 -2.344 -1.022
14 HB2 LEU 2 HB2 LEU 2 4.551 0.081 -0.141
15 HB3 LEU 2 HB3 LEU 2 6.262 0.010 0.130
16 HG LEU 2 HG LEU 2 4.920 -0.498 -2.571
17 HD11 LEU 2 HD11 LEU 2 4.437 1.805 -1.796
18 HD12 LEU 2 HD12 LEU 2 5.524 1.817 -3.174
19 HD13 LEU 2 HD13 LEU 2 6.158 2.097 -1.557
20 HD21 LEU 2 HD21 LEU 2 7.184 -1.436 -2.644
21 HD22 LEU 2 HD22 LEU 2 7.855 -0.011 -1.865
22 HD23 LEU 2 HD23 LEU 2 7.220 0.080 -3.500
23 HA PRO 3 HA PRO 3 8.549 -4.619 0.034
24 HB2 PRO 3 HB2 PRO 3 8.906 -6.032 -2.273
25 HB3 PRO 3 HB3 PRO 3 7.607 -6.391 -1.151
26 HG2 PRO 3 HG2 PRO 3 7.437 -4.766 -3.694
27 HG3 PRO 3 HG3 PRO 3 6.350 -6.048 -3.173
28 HD2 PRO 3 HD2 PRO 3 5.808 -3.367 -2.782
29 HD3 PRO 3 HD3 PRO 3 5.239 -4.599 -1.650
30 H TRP 4 H TRP 4 9.620 -2.460 0.133
31 HA TRP 4 HA TRP 4 10.982 -1.327 -2.154
32 HB2 TRP 4 HB2 TRP 4 11.366 -1.000 0.872
33 HB3 TRP 4 HB3 TRP 4 12.277 -0.105 -0.308
34 HD1 TRP 4 HD1 TRP 4 10.878 1.441 -2.057
35 HE1 TRP 4 HE1 TRP 4 8.992 3.084 -1.515
36 HE3 TRP 4 HE3 TRP 4 9.296 -0.580 2.381
37 HZ2 TRP 4 HZ2 TRP 4 7.071 3.512 0.617
38 HZ3 TRP 4 HZ3 TRP 4 7.468 0.489 3.663
39 HH2 TRP 4 HH2 TRP 4 6.351 2.539 2.791
40 H LYS 5 H LYS 5 11.493 -3.871 -2.413
41 HA LYS 5 HA LYS 5 13.800 -4.373 -3.412
42 HB2 LYS 5 HB2 LYS 5 15.244 -5.673 -1.852
43 HB3 LYS 5 HB3 LYS 5 15.189 -3.988 -1.496
44 HG2 LYS 5 HG2 LYS 5 13.423 -4.633 0.379
45 HG3 LYS 5 HG3 LYS 5 13.828 -6.271 0.029
46 HD2 LYS 5 HD2 LYS 5 15.069 -5.432 1.987
47 HD3 LYS 5 HD3 LYS 5 16.137 -5.969 0.730
48 HE2 LYS 5 HE2 LYS 5 16.934 -3.868 1.818
49 HE3 LYS 5 HE3 LYS 5 16.730 -3.671 0.100
50 HZ1 LYS 5 HZ1 LYS 5 14.778 -2.800 2.131
51 HZ2 LYS 5 HZ2 LYS 5 14.621 -2.587 0.500
52 HZ3 LYS 5 HZ3 LYS 5 15.826 -1.828 1.312
53 H TRP 6 H TRP 6 13.787 -6.478 -4.231
54 HA TRP 6 HA TRP 6 11.256 -7.751 -4.196
55 HB2 TRP 6 HB2 TRP 6 13.934 -8.679 -5.378
56 HB3 TRP 6 HB3 TRP 6 12.379 -9.334 -5.802
57 HD1 TRP 6 HD1 TRP 6 14.785 -6.951 -7.003
58 HE1 TRP 6 HE1 TRP 6 13.793 -5.399 -8.798
59 HE3 TRP 6 HE3 TRP 6 9.800 -7.903 -6.256
60 HZ2 TRP 6 HZ2 TRP 6 11.170 -4.642 -9.763
61 HZ3 TRP 6 HZ3 TRP 6 8.086 -6.762 -7.633
62 HH2 TRP 6 HH2 TRP 6 8.760 -5.134 -9.385
63 H LYS 7 H LYS 7 10.666 -9.830 -3.647
64 HA LYS 7 HA LYS 7 12.446 -11.568 -2.058
65 HB2 LYS 7 HB2 LYS 7 9.801 -10.395 -1.190
66 HB3 LYS 7 HB3 LYS 7 10.155 -12.009 -0.702
67 HG2 LYS 7 HG2 LYS 7 12.324 -9.963 -0.173
68 HG3 LYS 7 HG3 LYS 7 10.854 -9.827 0.729
69 HD2 LYS 7 HD2 LYS 7 12.390 -11.124 2.036
70 HD3 LYS 7 HD3 LYS 7 11.038 -12.125 1.584
71 HE2 LYS 7 HE2 LYS 7 12.427 -13.205 -0.216
72 HE3 LYS 7 HE3 LYS 7 13.781 -12.177 0.196
73 HZ1 LYS 7 HZ1 LYS 7 13.919 -13.215 2.311
74 HZ2 LYS 7 HZ2 LYS 7 13.797 -14.424 1.195
75 HZ3 LYS 7 HZ3 LYS 7 12.502 -14.020 2.131
76 H TRP 8 H TRP 8 12.676 -12.415 -4.226
77 HA TRP 8 HA TRP 8 10.463 -13.902 -5.442
78 HB2 TRP 8 HB2 TRP 8 12.416 -12.937 -6.713
79 HB3 TRP 8 HB3 TRP 8 13.512 -13.992 -5.873
80 HD1 TRP 8 HD1 TRP 8 10.686 -14.024 -8.437
81 HE1 TRP 8 HE1 TRP 8 10.936 -16.075 -9.965
82 HE3 TRP 8 HE3 TRP 8 14.480 -16.422 -5.969
83 HZ2 TRP 8 HZ2 TRP 8 12.600 -18.441 -10.116
84 HZ3 TRP 8 HZ3 TRP 8 15.399 -18.551 -6.842
85 HH2 TRP 8 HH2 TRP 8 14.472 -19.564 -8.918
86 H THR 9 H THR 9 9.730 -15.131 -3.670
87 HA THR 9 HA THR 9 11.215 -17.573 -3.041
88 HB THR 9 HB THR 9 12.117 -15.925 -1.487
89 HG21 THR 9 HG21 THR 9 9.364 -15.586 -0.184
90 HG22 THR 9 HG22 THR 9 10.196 -14.406 -1.148
91 HG23 THR 9 HG23 THR 9 10.894 -14.920 0.363
92 HA PRO 10 HA PRO 10 6.615 -17.697 -3.652
93 HB2 PRO 10 HB2 PRO 10 6.416 -19.463 -5.741
94 HB3 PRO 10 HB3 PRO 10 6.861 -17.778 -5.948
95 HG2 PRO 10 HG2 PRO 10 8.708 -20.164 -5.825
96 HG3 PRO 10 HG3 PRO 10 8.742 -18.841 -6.987
97 HD2 PRO 10 HD2 PRO 10 10.381 -18.924 -4.762
98 HD3 PRO 10 HD3 PRO 10 9.806 -17.403 -5.449
99 H TRP 11 H TRP 11 6.283 -18.648 -1.613
100 HA TRP 11 HA TRP 11 6.584 -21.515 -1.148
101 HB2 TRP 11 HB2 TRP 11 6.564 -19.784 0.677
102 HB3 TRP 11 HB3 TRP 11 4.889 -19.448 0.364
103 HD1 TRP 11 HD1 TRP 11 7.216 -21.988 1.900
104 HE1 TRP 11 HE1 TRP 11 5.890 -23.504 3.512
105 HE3 TRP 11 HE3 TRP 11 2.446 -20.557 0.700
106 HZ2 TRP 11 HZ2 TRP 11 3.131 -24.223 4.001
107 HZ3 TRP 11 HZ3 TRP 11 0.502 -21.638 1.777
108 HH2 TRP 11 HH2 TRP 11 0.832 -23.474 3.425
109 H ARG 12 H ARG 12 5.541 -22.511 -2.829
110 HA ARG 12 HA ARG 12 3.027 -22.217 -3.887
111 HB2 ARG 12 HB2 ARG 12 3.140 -24.784 -4.285
112 HB3 ARG 12 HB3 ARG 12 4.340 -23.741 -4.961
113 HG2 ARG 12 HG2 ARG 12 5.592 -25.521 -4.256
114 HG3 ARG 12 HG3 ARG 12 5.929 -24.361 -3.034
115 HD2 ARG 12 HD2 ARG 12 3.755 -25.867 -1.927
116 HD3 ARG 12 HD3 ARG 12 4.592 -27.018 -2.896
117 HE ARG 12 HE ARG 12 6.421 -26.944 -1.566
118 HH11 ARG 12 HH11 ARG 12 4.180 -24.327 -0.444
119 HH12 ARG 12 HH12 ARG 12 5.099 -23.975 0.961
120 HH21 ARG 12 HH21 ARG 12 7.529 -26.550 0.451
121 HH22 ARG 12 HH22 ARG 12 6.986 -25.298 1.495
122 H ARG 13 H ARG 13 0.989 -22.408 -3.294
123 HA ARG 13 HA ARG 13 0.256 -22.640 -0.568
124 HB2 ARG 13 HB2 ARG 13 -1.948 -22.036 -1.349
125 HB3 ARG 13 HB3 ARG 13 -0.771 -21.074 -2.152
126 HG2 ARG 13 HG2 ARG 13 -1.591 -21.644 -4.171
127 HG3 ARG 13 HG3 ARG 13 -1.252 -23.324 -3.909
128 HD2 ARG 13 HD2 ARG 13 -3.555 -23.253 -2.480
129 HD3 ARG 13 HD3 ARG 13 -3.823 -21.789 -3.373
130 HE ARG 13 HE ARG 13 -4.098 -22.961 -5.314
131 HH11 ARG 13 HH11 ARG 13 -2.849 -25.241 -2.837
132 HH12 ARG 13 HH12 ARG 13 -3.544 -26.637 -3.564
133 HH21 ARG 13 HH21 ARG 13 -4.811 -24.899 -6.427
134 HH22 ARG 13 HH22 ARG 13 -4.553 -26.445 -5.734
135 HN1 NH2 14 HN1 NH2 14 0.035 -26.281 -0.618
136 HN2 NH2 14 HN2 NH2 14 1.241 -24.986 -0.560
137 H2 BGC 101 H2 BGC 101 12.221 -19.391 1.140
138 H3 BGC 101 H3 BGC 101 9.575 -19.300 2.671
139 H4 BGC 101 H4 BGC 101 12.345 -18.454 3.625
140 H5 BGC 101 H5 BGC 101 9.848 -16.791 2.981
141 H6C1 BGC 101 H6C1 BGC 101 12.621 -15.933 3.951
142 H6C2 BGC 101 H6C2 BGC 101 11.130 -15.765 4.852
143 H1 BGC 101 H1 BGC 101 9.825 -17.525 0.715
144 HB BGC 101 HB BGC 101 10.594 -20.977 0.694
145 HC BGC 101 HC BGC 101 11.965 -20.810 3.119
146 HD BGC 101 HD BGC 101 10.794 -19.461 5.107
147 H6 BGC 101 H6 BGC 101 10.355 -14.336 3.321
Start of MODEL 19
1 H1 ILE 1 H1 ILE 1 4.334 5.516 -4.552
2 HA ILE 1 HA ILE 1 3.154 2.894 -4.783
3 HB ILE 1 HB ILE 1 5.567 4.012 -6.299
4 HG12 ILE 1 HG12 ILE 1 3.660 5.029 -7.378
5 HG13 ILE 1 HG13 ILE 1 4.331 3.811 -8.391
6 HG21 ILE 1 HG21 ILE 1 4.284 1.252 -6.503
7 HG22 ILE 1 HG22 ILE 1 5.509 1.877 -7.596
8 HG23 ILE 1 HG23 ILE 1 5.900 1.634 -5.914
9 HD11 ILE 1 HD11 ILE 1 1.877 3.703 -8.462
10 HD12 ILE 1 HD12 ILE 1 2.493 2.213 -7.782
11 HD13 ILE 1 HD13 ILE 1 1.769 3.433 -6.732
12 H LEU 2 H LEU 2 4.693 1.304 -3.712
13 HA LEU 2 HA LEU 2 6.923 2.472 -2.213
14 HB2 LEU 2 HB2 LEU 2 4.874 2.625 -0.774
15 HB3 LEU 2 HB3 LEU 2 4.682 0.906 -0.867
16 HG LEU 2 HG LEU 2 5.637 1.681 1.227
17 HD11 LEU 2 HD11 LEU 2 7.330 0.049 1.588
18 HD12 LEU 2 HD12 LEU 2 7.808 0.018 -0.094
19 HD13 LEU 2 HD13 LEU 2 6.238 -0.626 0.389
20 HD21 LEU 2 HD21 LEU 2 8.154 2.596 -0.228
21 HD22 LEU 2 HD22 LEU 2 7.840 2.652 1.497
22 HD23 LEU 2 HD23 LEU 2 6.904 3.664 0.410
23 HA PRO 3 HA PRO 3 8.024 -1.635 -4.008
24 HB2 PRO 3 HB2 PRO 3 10.722 -1.282 -4.247
25 HB3 PRO 3 HB3 PRO 3 9.580 -0.525 -5.342
26 HG2 PRO 3 HG2 PRO 3 10.956 0.734 -2.966
27 HG3 PRO 3 HG3 PRO 3 10.756 1.415 -4.575
28 HD2 PRO 3 HD2 PRO 3 9.100 2.018 -2.438
29 HD3 PRO 3 HD3 PRO 3 8.518 2.061 -4.108
30 H TRP 4 H TRP 4 7.362 -2.720 -2.080
31 HA TRP 4 HA TRP 4 9.076 -2.820 0.290
32 HB2 TRP 4 HB2 TRP 4 6.387 -3.270 -0.136
33 HB3 TRP 4 HB3 TRP 4 6.942 -4.914 -0.157
34 HD1 TRP 4 HD1 TRP 4 5.758 -2.351 2.078
35 HE1 TRP 4 HE1 TRP 4 6.266 -2.841 4.547
36 HE3 TRP 4 HE3 TRP 4 9.195 -6.119 1.488
37 HZ2 TRP 4 HZ2 TRP 4 7.993 -4.594 6.071
38 HZ3 TRP 4 HZ3 TRP 4 10.265 -7.148 3.440
39 HH2 TRP 4 HH2 TRP 4 9.676 -6.401 5.751
40 H LYS 5 H LYS 5 10.933 -3.912 0.156
41 HA LYS 5 HA LYS 5 11.496 -5.849 -2.030
42 HB2 LYS 5 HB2 LYS 5 13.260 -4.440 0.049
43 HB3 LYS 5 HB3 LYS 5 13.859 -5.491 -1.205
44 HG2 LYS 5 HG2 LYS 5 12.988 -3.979 -2.960
45 HG3 LYS 5 HG3 LYS 5 12.366 -2.874 -1.780
46 HD2 LYS 5 HD2 LYS 5 15.351 -3.576 -1.971
47 HD3 LYS 5 HD3 LYS 5 14.596 -2.329 -2.905
48 HE2 LYS 5 HE2 LYS 5 15.543 -1.165 -1.085
49 HE3 LYS 5 HE3 LYS 5 13.822 -1.166 -0.781
50 HZ1 LYS 5 HZ1 LYS 5 14.178 -2.993 0.757
51 HZ2 LYS 5 HZ2 LYS 5 15.099 -1.697 1.170
52 HZ3 LYS 5 HZ3 LYS 5 15.792 -2.997 0.438
53 H TRP 6 H TRP 6 11.250 -7.911 -1.527
54 HA TRP 6 HA TRP 6 11.692 -9.916 -0.711
55 HB2 TRP 6 HB2 TRP 6 13.630 -9.390 0.589
56 HB3 TRP 6 HB3 TRP 6 12.691 -8.712 1.890
57 HD1 TRP 6 HD1 TRP 6 13.701 -12.073 0.455
58 HE1 TRP 6 HE1 TRP 6 13.178 -13.925 2.205
59 HE3 TRP 6 HE3 TRP 6 11.102 -9.279 3.871
60 HZ2 TRP 6 HZ2 TRP 6 11.942 -14.103 4.772
61 HZ3 TRP 6 HZ3 TRP 6 10.269 -10.310 5.966
62 HH2 TRP 6 HH2 TRP 6 10.691 -12.715 6.436
63 H LYS 7 H LYS 7 10.315 -11.450 0.036
64 HA LYS 7 HA LYS 7 8.323 -11.006 1.994
65 HB2 LYS 7 HB2 LYS 7 7.437 -11.429 -0.911
66 HB3 LYS 7 HB3 LYS 7 6.431 -11.787 0.461
67 HG2 LYS 7 HG2 LYS 7 6.622 -9.360 1.193
68 HG3 LYS 7 HG3 LYS 7 7.413 -8.998 -0.313
69 HD2 LYS 7 HD2 LYS 7 4.623 -10.222 -0.095
70 HD3 LYS 7 HD3 LYS 7 4.944 -8.514 -0.248
71 HE2 LYS 7 HE2 LYS 7 6.057 -8.873 -2.462
72 HE3 LYS 7 HE3 LYS 7 5.773 -10.598 -2.344
73 HZ1 LYS 7 HZ1 LYS 7 3.425 -10.183 -2.322
74 HZ2 LYS 7 HZ2 LYS 7 4.114 -9.520 -3.661
75 HZ3 LYS 7 HZ3 LYS 7 3.664 -8.555 -2.405
76 H TRP 8 H TRP 8 7.406 -13.141 2.558
77 HA TRP 8 HA TRP 8 9.193 -15.373 1.889
78 HB2 TRP 8 HB2 TRP 8 7.919 -14.759 4.214
79 HB3 TRP 8 HB3 TRP 8 6.649 -15.711 3.509
80 HD1 TRP 8 HD1 TRP 8 7.512 -18.277 2.714
81 HE1 TRP 8 HE1 TRP 8 9.132 -19.871 3.880
82 HE3 TRP 8 HE3 TRP 8 9.839 -14.927 5.795
83 HZ2 TRP 8 HZ2 TRP 8 11.257 -19.699 5.872
84 HZ3 TRP 8 HZ3 TRP 8 11.661 -15.655 7.311
85 HH2 TRP 8 HH2 TRP 8 12.381 -18.037 7.352
86 H THR 9 H THR 9 8.688 -16.895 0.315
87 HA THR 9 HA THR 9 6.293 -16.440 -1.302
88 HB THR 9 HB THR 9 7.474 -18.071 -2.800
89 HG21 THR 9 HG21 THR 9 7.685 -15.621 -3.068
90 HG22 THR 9 HG22 THR 9 9.069 -16.486 -3.665
91 HG23 THR 9 HG23 THR 9 9.144 -15.616 -2.103
92 HA PRO 10 HA PRO 10 4.164 -19.916 0.436
93 HB2 PRO 10 HB2 PRO 10 2.401 -20.642 -1.558
94 HB3 PRO 10 HB3 PRO 10 2.277 -19.132 -0.666
95 HG2 PRO 10 HG2 PRO 10 3.501 -19.579 -3.387
96 HG3 PRO 10 HG3 PRO 10 2.397 -18.291 -2.911
97 HD2 PRO 10 HD2 PRO 10 5.139 -17.951 -3.036
98 HD3 PRO 10 HD3 PRO 10 4.149 -17.078 -1.854
99 H TRP 11 H TRP 11 4.280 -22.116 0.625
100 HA TRP 11 HA TRP 11 6.332 -23.526 -0.866
101 HB2 TRP 11 HB2 TRP 11 6.009 -23.827 1.581
102 HB3 TRP 11 HB3 TRP 11 4.367 -24.361 1.343
103 HD1 TRP 11 HD1 TRP 11 4.262 -26.785 1.914
104 HE1 TRP 11 HE1 TRP 11 5.724 -28.871 1.630
105 HE3 TRP 11 HE3 TRP 11 8.243 -24.689 -0.562
106 HZ2 TRP 11 HZ2 TRP 11 8.174 -29.605 0.241
107 HZ3 TRP 11 HZ3 TRP 11 10.105 -26.101 -1.352
108 HH2 TRP 11 HH2 TRP 11 10.086 -28.555 -0.956
109 H ARG 12 H ARG 12 6.027 -25.368 -2.109
110 HA ARG 12 HA ARG 12 3.861 -25.337 -3.947
111 HB2 ARG 12 HB2 ARG 12 6.461 -26.066 -4.015
112 HB3 ARG 12 HB3 ARG 12 5.852 -27.655 -3.717
113 HG2 ARG 12 HG2 ARG 12 4.937 -25.865 -6.039
114 HG3 ARG 12 HG3 ARG 12 6.349 -26.866 -6.122
115 HD2 ARG 12 HD2 ARG 12 4.685 -28.850 -5.506
116 HD3 ARG 12 HD3 ARG 12 3.444 -27.767 -6.077
117 HE ARG 12 HE ARG 12 5.740 -28.925 -7.547
118 HH11 ARG 12 HH11 ARG 12 2.710 -27.075 -7.785
119 HH12 ARG 12 HH12 ARG 12 2.580 -27.186 -9.494
120 HH21 ARG 12 HH21 ARG 12 5.580 -29.099 -9.873
121 HH22 ARG 12 HH22 ARG 12 4.257 -28.405 -10.706
122 H ARG 13 H ARG 13 3.623 -26.474 -0.964
123 HA ARG 13 HA ARG 13 2.102 -27.485 0.161
124 HB2 ARG 13 HB2 ARG 13 0.018 -27.483 -0.573
125 HB3 ARG 13 HB3 ARG 13 0.709 -26.715 -1.936
126 HG2 ARG 13 HG2 ARG 13 -0.384 -28.218 -3.189
127 HG3 ARG 13 HG3 ARG 13 0.811 -29.393 -2.755
128 HD2 ARG 13 HD2 ARG 13 -0.777 -29.804 -0.610
129 HD3 ARG 13 HD3 ARG 13 -1.941 -28.892 -1.514
130 HE ARG 13 HE ARG 13 -2.210 -30.576 -3.022
131 HH11 ARG 13 HH11 ARG 13 0.579 -31.412 -0.933
132 HH12 ARG 13 HH12 ARG 13 0.413 -33.114 -1.130
133 HH21 ARG 13 HH21 ARG 13 -2.334 -32.890 -3.426
134 HH22 ARG 13 HH22 ARG 13 -1.209 -33.956 -2.698
135 HN1 NH2 14 HN1 NH2 14 4.141 -30.609 -0.277
136 HN2 NH2 14 HN2 NH2 14 4.491 -28.909 -0.564
137 H2 BGC 101 H2 BGC 101 11.020 -16.614 -2.802
138 H3 BGC 101 H3 BGC 101 13.085 -18.448 -1.582
139 H4 BGC 101 H4 BGC 101 12.461 -15.504 -1.061
140 H5 BGC 101 H5 BGC 101 12.145 -17.953 0.756
141 H6C1 BGC 101 H6C1 BGC 101 11.104 -16.401 2.363
142 H6C2 BGC 101 H6C2 BGC 101 11.386 -15.045 1.283
143 H1 BGC 101 H1 BGC 101 10.778 -18.929 -0.799
144 HB BGC 101 HB BGC 101 11.943 -18.313 -4.062
145 HC BGC 101 HC BGC 101 14.427 -16.807 -2.530
146 HD BGC 101 HD BGC 101 14.122 -15.914 0.560
147 H6 BGC 101 H6 BGC 101 13.260 -16.566 2.772
Start of MODEL 20
1 H1 ILE 1 H1 ILE 1 1.279 1.324 2.372
2 HA ILE 1 HA ILE 1 2.403 1.444 0.368
3 HB ILE 1 HB ILE 1 4.148 3.031 1.080
4 HG12 ILE 1 HG12 ILE 1 6.148 2.163 -0.013
5 HG13 ILE 1 HG13 ILE 1 5.539 0.545 0.001
6 HG21 ILE 1 HG21 ILE 1 6.134 2.398 2.389
7 HG22 ILE 1 HG22 ILE 1 4.698 2.188 3.359
8 HG23 ILE 1 HG23 ILE 1 5.502 0.786 2.653
9 HD11 ILE 1 HD11 ILE 1 4.251 2.912 -1.489
10 HD12 ILE 1 HD12 ILE 1 5.256 1.671 -2.214
11 HD13 ILE 1 HD13 ILE 1 3.682 1.242 -1.581
12 H LEU 2 H LEU 2 3.516 -0.596 -0.547
13 HA LEU 2 HA LEU 2 3.778 -2.814 1.359
14 HB2 LEU 2 HB2 LEU 2 1.427 -2.733 0.422
15 HB3 LEU 2 HB3 LEU 2 2.074 -2.910 -1.173
16 HG LEU 2 HG LEU 2 1.132 -4.952 -0.240
17 HD11 LEU 2 HD11 LEU 2 4.101 -5.433 -0.658
18 HD12 LEU 2 HD12 LEU 2 2.952 -5.127 -1.958
19 HD13 LEU 2 HD13 LEU 2 2.779 -6.547 -0.940
20 HD21 LEU 2 HD21 LEU 2 2.087 -6.226 1.586
21 HD22 LEU 2 HD22 LEU 2 1.701 -4.615 2.169
22 HD23 LEU 2 HD23 LEU 2 3.374 -5.058 1.824
23 HA PRO 3 HA PRO 3 7.261 -2.507 -1.633
24 HB2 PRO 3 HB2 PRO 3 9.227 -3.715 -0.157
25 HB3 PRO 3 HB3 PRO 3 8.614 -2.120 0.253
26 HG2 PRO 3 HG2 PRO 3 7.828 -4.771 1.482
27 HG3 PRO 3 HG3 PRO 3 8.250 -3.285 2.329
28 HD2 PRO 3 HD2 PRO 3 5.639 -4.053 1.820
29 HD3 PRO 3 HD3 PRO 3 6.102 -2.345 1.913
30 H TRP 4 H TRP 4 8.386 -3.973 -3.014
31 HA TRP 4 HA TRP 4 7.308 -6.642 -3.396
32 HB2 TRP 4 HB2 TRP 4 9.693 -5.140 -4.607
33 HB3 TRP 4 HB3 TRP 4 9.249 -6.757 -5.074
34 HD1 TRP 4 HD1 TRP 4 8.673 -3.337 -6.085
35 HE1 TRP 4 HE1 TRP 4 6.749 -3.159 -7.774
36 HE3 TRP 4 HE3 TRP 4 6.603 -7.983 -5.456
37 HZ2 TRP 4 HZ2 TRP 4 4.563 -4.818 -8.714
38 HZ3 TRP 4 HZ3 TRP 4 4.608 -8.657 -6.763
39 HH2 TRP 4 HH2 TRP 4 3.582 -7.082 -8.392
40 H LYS 5 H LYS 5 8.043 -8.462 -2.479
41 HA LYS 5 HA LYS 5 10.003 -8.355 -0.335
42 HB2 LYS 5 HB2 LYS 5 8.387 -10.681 -1.518
43 HB3 LYS 5 HB3 LYS 5 9.327 -10.727 -0.049
44 HG2 LYS 5 HG2 LYS 5 7.835 -8.930 0.948
45 HG3 LYS 5 HG3 LYS 5 6.893 -8.941 -0.513
46 HD2 LYS 5 HD2 LYS 5 5.662 -10.309 0.941
47 HD3 LYS 5 HD3 LYS 5 6.446 -11.430 -0.139
48 HE2 LYS 5 HE2 LYS 5 8.262 -11.756 1.678
49 HE3 LYS 5 HE3 LYS 5 7.311 -10.742 2.737
50 HZ1 LYS 5 HZ1 LYS 5 6.943 -13.109 3.019
51 HZ2 LYS 5 HZ2 LYS 5 6.424 -13.252 1.489
52 HZ3 LYS 5 HZ3 LYS 5 5.532 -12.369 2.568
53 H TRP 6 H TRP 6 11.759 -7.742 -1.828
54 HA TRP 6 HA TRP 6 13.056 -9.462 -3.660
55 HB2 TRP 6 HB2 TRP 6 13.581 -7.050 -3.401
56 HB3 TRP 6 HB3 TRP 6 14.126 -7.311 -1.769
57 HD1 TRP 6 HD1 TRP 6 15.250 -9.395 -4.811
58 HE1 TRP 6 HE1 TRP 6 17.762 -9.116 -5.144
59 HE3 TRP 6 HE3 TRP 6 16.138 -5.862 -1.213
60 HZ2 TRP 6 HZ2 TRP 6 19.939 -7.614 -3.921
61 HZ3 TRP 6 HZ3 TRP 6 18.438 -5.011 -0.826
62 HH2 TRP 6 HH2 TRP 6 20.343 -5.880 -2.174
63 H LYS 7 H LYS 7 13.404 -11.504 -3.117
64 HA LYS 7 HA LYS 7 14.633 -13.273 -2.474
65 HB2 LYS 7 HB2 LYS 7 15.723 -11.801 -0.074
66 HB3 LYS 7 HB3 LYS 7 16.168 -13.385 -0.576
67 HG2 LYS 7 HG2 LYS 7 17.359 -12.703 -2.473
68 HG3 LYS 7 HG3 LYS 7 16.508 -11.207 -2.654
69 HD2 LYS 7 HD2 LYS 7 18.575 -11.758 -0.480
70 HD3 LYS 7 HD3 LYS 7 18.812 -10.847 -1.953
71 HE2 LYS 7 HE2 LYS 7 16.832 -9.329 -1.129
72 HE3 LYS 7 HE3 LYS 7 17.062 -10.065 0.436
73 HZ1 LYS 7 HZ1 LYS 7 19.380 -9.291 0.318
74 HZ2 LYS 7 HZ2 LYS 7 18.271 -8.069 0.263
75 HZ3 LYS 7 HZ3 LYS 7 19.023 -8.529 -1.113
76 H TRP 8 H TRP 8 12.084 -13.271 -2.359
77 HA TRP 8 HA TRP 8 11.591 -15.025 -0.063
78 HB2 TRP 8 HB2 TRP 8 10.627 -12.795 0.517
79 HB3 TRP 8 HB3 TRP 8 9.583 -12.908 -0.880
80 HD1 TRP 8 HD1 TRP 8 10.234 -14.502 2.515
81 HE1 TRP 8 HE1 TRP 8 8.242 -15.939 3.243
82 HE3 TRP 8 HE3 TRP 8 7.351 -14.076 -1.690
83 HZ2 TRP 8 HZ2 TRP 8 5.631 -16.683 2.197
84 HZ3 TRP 8 HZ3 TRP 8 5.112 -15.128 -1.792
85 HH2 TRP 8 HH2 TRP 8 4.247 -16.446 0.138
86 H THR 9 H THR 9 11.827 -16.795 -1.307
87 HA THR 9 HA THR 9 10.453 -17.462 -3.643
88 HB THR 9 HB THR 9 10.740 -19.811 -2.876
89 HG21 THR 9 HG21 THR 9 12.537 -18.920 -4.158
90 HG22 THR 9 HG22 THR 9 13.223 -19.873 -2.850
91 HG23 THR 9 HG23 THR 9 13.254 -18.110 -2.787
92 HA PRO 10 HA PRO 10 6.246 -17.736 -2.288
93 HB2 PRO 10 HB2 PRO 10 5.100 -19.412 -4.152
94 HB3 PRO 10 HB3 PRO 10 5.678 -17.797 -4.536
95 HG2 PRO 10 HG2 PRO 10 7.101 -20.422 -4.980
96 HG3 PRO 10 HG3 PRO 10 6.947 -19.083 -6.115
97 HD2 PRO 10 HD2 PRO 10 9.193 -19.476 -4.559
98 HD3 PRO 10 HD3 PRO 10 8.657 -17.855 -5.022
99 H TRP 11 H TRP 11 5.107 -18.826 -0.793
100 HA TRP 11 HA TRP 11 6.090 -21.420 0.200
101 HB2 TRP 11 HB2 TRP 11 5.589 -19.355 1.652
102 HB3 TRP 11 HB3 TRP 11 3.897 -19.559 1.288
103 HD1 TRP 11 HD1 TRP 11 6.714 -21.886 2.579
104 HE1 TRP 11 HE1 TRP 11 5.869 -23.178 4.633
105 HE3 TRP 11 HE3 TRP 11 1.962 -19.986 2.841
106 HZ2 TRP 11 HZ2 TRP 11 3.414 -23.404 6.160
107 HZ3 TRP 11 HZ3 TRP 11 0.404 -20.738 4.614
108 HH2 TRP 11 HH2 TRP 11 1.120 -22.444 6.276
109 H ARG 12 H ARG 12 4.311 -22.928 1.010
110 HA ARG 12 HA ARG 12 2.690 -23.837 -1.271
111 HB2 ARG 12 HB2 ARG 12 3.127 -24.877 1.586
112 HB3 ARG 12 HB3 ARG 12 2.199 -25.734 0.399
113 HG2 ARG 12 HG2 ARG 12 5.129 -25.019 -0.134
114 HG3 ARG 12 HG3 ARG 12 4.719 -26.370 0.859
115 HD2 ARG 12 HD2 ARG 12 3.531 -26.146 -1.954
116 HD3 ARG 12 HD3 ARG 12 5.147 -26.761 -1.668
117 HE ARG 12 HE ARG 12 3.169 -27.993 0.033
118 HH11 ARG 12 HH11 ARG 12 4.776 -28.223 -3.140
119 HH12 ARG 12 HH12 ARG 12 4.452 -29.893 -3.370
120 HH21 ARG 12 HH21 ARG 12 2.781 -30.294 -0.231
121 HH22 ARG 12 HH22 ARG 12 3.280 -31.097 -1.657
122 H ARG 13 H ARG 13 0.680 -22.995 -1.515
123 HA ARG 13 HA ARG 13 -0.807 -21.522 0.386
124 HB2 ARG 13 HB2 ARG 13 -2.564 -21.511 -1.329
125 HB3 ARG 13 HB3 ARG 13 -1.027 -21.107 -1.985
126 HG2 ARG 13 HG2 ARG 13 -1.052 -22.814 -3.484
127 HG3 ARG 13 HG3 ARG 13 -1.490 -24.007 -2.306
128 HD2 ARG 13 HD2 ARG 13 -3.518 -22.085 -3.585
129 HD3 ARG 13 HD3 ARG 13 -3.187 -23.715 -4.151
130 HE ARG 13 HE ARG 13 -3.698 -23.706 -1.339
131 HH11 ARG 13 HH11 ARG 13 -5.498 -23.507 -4.424
132 HH12 ARG 13 HH12 ARG 13 -6.964 -24.142 -3.789
133 HH21 ARG 13 HH21 ARG 13 -5.614 -24.545 -0.487
134 HH22 ARG 13 HH22 ARG 13 -7.034 -24.759 -1.433
135 HN1 NH2 14 HN1 NH2 14 -1.924 -24.477 2.261
136 HN2 NH2 14 HN2 NH2 14 -0.447 -23.543 2.001
137 H2 BGC 101 H2 BGC 101 12.778 -20.299 1.047
138 H3 BGC 101 H3 BGC 101 12.132 -17.779 2.659
139 H4 BGC 101 H4 BGC 101 14.796 -18.785 1.582
140 H5 BGC 101 H5 BGC 101 13.110 -16.326 0.860
141 H6C1 BGC 101 H6C1 BGC 101 15.833 -17.291 -0.128
142 H6C2 BGC 101 H6C2 BGC 101 15.424 -15.699 0.485
143 H1 BGC 101 H1 BGC 101 11.205 -17.812 0.200
144 HB BGC 101 HB BGC 101 11.105 -20.349 2.619
145 HC BGC 101 HC BGC 101 13.618 -18.814 4.111
146 HD BGC 101 HD BGC 101 15.635 -17.036 2.674
147 H6 BGC 101 H6 BGC 101 14.440 -16.918 -1.895
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