NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
521222 |
2l44   |
17228 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H1 LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 2.007 0.978 -1.686
3 HB2 LYS 1 HB2 LYS 1 3.938 0.447 -0.254
4 HB3 LYS 1 HB3 LYS 1 3.653 -1.270 -0.508
5 HG2 LYS 1 HG2 LYS 1 5.422 -0.649 -1.943
6 HG3 LYS 1 HG3 LYS 1 3.996 -0.861 -2.962
7 HD2 LYS 1 HD2 LYS 1 3.661 1.519 -3.078
8 HD3 LYS 1 HD3 LYS 1 4.956 1.799 -1.911
9 HE2 LYS 1 HE2 LYS 1 5.251 0.634 -4.678
10 HE3 LYS 1 HE3 LYS 1 5.735 2.250 -4.165
11 HZ1 LYS 1 HZ1 LYS 1 7.001 -0.330 -3.620
12 HZ2 LYS 1 HZ2 LYS 1 7.109 0.865 -2.428
13 HZ3 LYS 1 HZ3 LYS 1 7.708 1.164 -3.982
14 H GLY 2 H GLY 2 2.222 -2.530 -1.070
15 HA2 GLY 2 HA2 GLY 2 1.122 -2.985 -3.753
16 HA3 GLY 2 HA3 GLY 2 2.002 -4.161 -2.789
17 H CYS 3 H CYS 3 0.688 -5.883 -2.303
18 HA CYS 3 HA CYS 3 -2.135 -5.354 -2.025
19 HB2 CYS 3 HB2 CYS 3 -0.771 -7.444 -3.128
20 HB3 CYS 3 HB3 CYS 3 -1.112 -8.094 -1.537
21 H TRP 4 H TRP 4 -2.840 -7.221 -0.152
22 HA TRP 4 HA TRP 4 -1.594 -6.218 2.323
23 HB2 TRP 4 HB2 TRP 4 -3.790 -6.606 3.405
24 HB3 TRP 4 HB3 TRP 4 -3.879 -5.428 2.099
25 HD1 TRP 4 HD1 TRP 4 -4.960 -6.366 -0.270
26 HE1 TRP 4 HE1 TRP 4 -6.821 -8.107 -0.631
27 HE3 TRP 4 HE3 TRP 4 -4.821 -8.661 4.296
28 HZ2 TRP 4 HZ2 TRP 4 -8.066 -10.179 0.827
29 HZ3 TRP 4 HZ3 TRP 4 -6.380 -10.513 4.733
30 HH2 TRP 4 HH2 TRP 4 -7.968 -11.255 3.033
31 H LYS 5 H LYS 5 -2.460 -8.988 0.478
32 HA LYS 5 HA LYS 5 -1.559 -10.726 2.682
33 HB2 LYS 5 HB2 LYS 5 -3.079 -12.414 2.035
34 HB3 LYS 5 HB3 LYS 5 -4.011 -10.922 2.025
35 HG2 LYS 5 HG2 LYS 5 -2.761 -12.069 -0.454
36 HG3 LYS 5 HG3 LYS 5 -4.384 -12.497 0.090
37 HD2 LYS 5 HD2 LYS 5 -4.333 -9.722 0.191
38 HD3 LYS 5 HD3 LYS 5 -3.457 -10.121 -1.288
39 HE2 LYS 5 HE2 LYS 5 -6.258 -10.910 -0.521
40 HE3 LYS 5 HE3 LYS 5 -5.750 -9.899 -1.872
41 HZ1 LYS 5 HZ1 LYS 5 -5.717 -12.804 -1.609
42 HZ2 LYS 5 HZ2 LYS 5 -4.438 -12.102 -2.465
43 HZ3 LYS 5 HZ3 LYS 5 -6.033 -11.844 -2.966
44 H CYS 6 H CYS 6 -1.401 -9.934 -0.706
45 HA CYS 6 HA CYS 6 0.171 -12.190 -1.485
46 HB2 CYS 6 HB2 CYS 6 -0.135 -9.508 -2.853
47 HB3 CYS 6 HB3 CYS 6 0.504 -10.978 -3.582
48 H GLY 7 H GLY 7 2.045 -12.460 -0.394
49 HA2 GLY 7 HA2 GLY 7 3.706 -10.530 0.677
50 HA3 GLY 7 HA3 GLY 7 4.250 -12.117 0.153
51 H LYS 8 H LYS 8 3.528 -11.659 -2.638
52 HA LYS 8 HA LYS 8 5.935 -10.776 -3.653
53 HB2 LYS 8 HB2 LYS 8 4.592 -10.367 -5.800
54 HB3 LYS 8 HB3 LYS 8 4.567 -11.991 -5.123
55 HG2 LYS 8 HG2 LYS 8 2.381 -11.707 -4.275
56 HG3 LYS 8 HG3 LYS 8 2.417 -9.967 -4.567
57 HD2 LYS 8 HD2 LYS 8 2.569 -12.051 -6.742
58 HD3 LYS 8 HD3 LYS 8 1.074 -11.266 -6.226
59 HE2 LYS 8 HE2 LYS 8 3.506 -9.943 -7.421
60 HE3 LYS 8 HE3 LYS 8 1.928 -10.145 -8.181
61 HZ1 LYS 8 HZ1 LYS 8 1.221 -8.847 -5.988
62 HZ2 LYS 8 HZ2 LYS 8 1.659 -8.055 -7.417
63 HZ3 LYS 8 HZ3 LYS 8 2.786 -8.228 -6.166
64 H GLU 9 H GLU 9 2.991 -8.921 -3.031
65 HA GLU 9 HA GLU 9 2.553 -6.684 -3.052
66 HB2 GLU 9 HB2 GLU 9 5.361 -6.870 -2.030
67 HB3 GLU 9 HB3 GLU 9 4.652 -5.287 -2.317
68 HG2 GLU 9 HG2 GLU 9 2.683 -6.496 -0.897
69 HG3 GLU 9 HG3 GLU 9 4.122 -7.237 -0.199
70 H GLY 10 H GLY 10 2.142 -6.462 -5.268
71 HA2 GLY 10 HA2 GLY 10 4.135 -4.845 -6.662
72 HA3 GLY 10 HA3 GLY 10 3.634 -6.333 -7.450
73 H HIS 11 H HIS 11 0.939 -6.382 -6.889
74 HA HIS 11 HA HIS 11 0.009 -4.133 -8.521
75 HB2 HIS 11 HB2 HIS 11 -2.021 -5.550 -8.868
76 HB3 HIS 11 HB3 HIS 11 -0.531 -6.294 -9.440
77 HD1 HIS 11 HD1 HIS 11 -0.015 -8.574 -8.571
78 HD2 HIS 11 HD2 HIS 11 -2.925 -6.648 -6.316
79 HE1 HIS 11 HE1 HIS 11 -0.854 -10.297 -6.942
80 H GLN 12 H GLN 12 -2.585 -3.909 -7.988
81 HA GLN 12 HA GLN 12 -2.594 -2.868 -5.258
82 HB2 GLN 12 HB2 GLN 12 -3.241 -1.242 -6.865
83 HB3 GLN 12 HB3 GLN 12 -4.341 -2.360 -7.660
84 HG2 GLN 12 HG2 GLN 12 -5.986 -2.063 -6.120
85 HG3 GLN 12 HG3 GLN 12 -4.854 -1.714 -4.814
86 HE21 GLN 12 HE21 GLN 12 -5.053 0.271 -4.098
87 HE22 GLN 12 HE22 GLN 12 -5.407 1.672 -5.045
88 H MET 13 H MET 13 -4.138 -3.403 -3.734
89 HA MET 13 HA MET 13 -5.086 -6.039 -3.727
90 HB2 MET 13 HB2 MET 13 -6.321 -5.401 -1.702
91 HB3 MET 13 HB3 MET 13 -4.669 -4.798 -1.669
92 HG2 MET 13 HG2 MET 13 -5.588 -2.602 -2.504
93 HG3 MET 13 HG3 MET 13 -7.192 -3.254 -2.178
94 HE1 MET 13 HE1 MET 13 -3.996 -1.534 0.062
95 HE2 MET 13 HE2 MET 13 -3.866 -3.111 0.839
96 HE3 MET 13 HE3 MET 13 -3.747 -2.980 -0.917
97 H LYS 14 H LYS 14 -6.684 -2.991 -4.513
98 HA LYS 14 HA LYS 14 -9.310 -3.934 -4.707
99 HB2 LYS 14 HB2 LYS 14 -8.525 -1.525 -4.748
100 HB3 LYS 14 HB3 LYS 14 -8.107 -1.773 -6.438
101 HG2 LYS 14 HG2 LYS 14 -10.869 -2.383 -5.479
102 HG3 LYS 14 HG3 LYS 14 -10.389 -0.718 -5.817
103 HD2 LYS 14 HD2 LYS 14 -9.475 -1.942 -8.040
104 HD3 LYS 14 HD3 LYS 14 -10.856 -2.974 -7.661
105 HE2 LYS 14 HE2 LYS 14 -12.144 -0.746 -7.404
106 HE3 LYS 14 HE3 LYS 14 -10.800 -0.048 -8.305
107 HZ1 LYS 14 HZ1 LYS 14 -11.529 -0.933 -10.198
108 HZ2 LYS 14 HZ2 LYS 14 -12.992 -1.209 -9.395
109 HZ3 LYS 14 HZ3 LYS 14 -11.838 -2.442 -9.499
110 H ASP 15 H ASP 15 -6.640 -4.044 -6.979
111 HA ASP 15 HA ASP 15 -8.364 -5.257 -9.012
112 HB2 ASP 15 HB2 ASP 15 -5.507 -4.275 -9.138
113 HB3 ASP 15 HB3 ASP 15 -6.350 -5.041 -10.481
114 H CYS 16 H CYS 16 -6.677 -6.270 -6.417
115 HA CYS 16 HA CYS 16 -5.084 -8.383 -7.306
116 HB2 CYS 16 HB2 CYS 16 -5.053 -7.585 -4.993
117 HB3 CYS 16 HB3 CYS 16 -6.696 -8.169 -4.754
118 H THR 17 H THR 17 -5.458 -10.558 -7.656
119 HA THR 17 HA THR 17 -8.169 -11.213 -8.490
120 HB THR 17 HB THR 17 -7.253 -13.078 -9.646
121 HG1 THR 17 HG1 THR 17 -5.592 -14.106 -8.851
122 HG21 THR 17 HG21 THR 17 -5.332 -10.755 -9.812
123 HG22 THR 17 HG22 THR 17 -6.805 -10.974 -10.755
124 HG23 THR 17 HG23 THR 17 -5.436 -12.061 -10.992
125 H GLU 18 H GLU 18 -8.093 -10.984 -5.780
126 HA GLU 18 HA GLU 18 -7.518 -13.387 -4.402
127 HB2 GLU 18 HB2 GLU 18 -8.628 -12.413 -2.533
128 HB3 GLU 18 HB3 GLU 18 -7.792 -11.110 -3.365
129 HG2 GLU 18 HG2 GLU 18 -9.852 -10.375 -4.377
130 HG3 GLU 18 HG3 GLU 18 -10.718 -11.739 -3.674
131 H ARG 19 H ARG 19 -10.290 -12.254 -6.186
132 HA ARG 19 HA ARG 19 -11.990 -14.400 -5.221
133 HB2 ARG 19 HB2 ARG 19 -12.662 -11.949 -5.912
134 HB3 ARG 19 HB3 ARG 19 -12.723 -12.643 -7.527
135 HG2 ARG 19 HG2 ARG 19 -14.912 -12.786 -6.730
136 HG3 ARG 19 HG3 ARG 19 -14.258 -14.413 -6.531
137 HD2 ARG 19 HD2 ARG 19 -13.993 -12.508 -4.265
138 HD3 ARG 19 HD3 ARG 19 -15.586 -13.186 -4.595
139 HE ARG 19 HE ARG 19 -13.393 -14.521 -3.391
140 HH11 ARG 19 HH11 ARG 19 -16.077 -15.017 -5.551
141 HH12 ARG 19 HH12 ARG 19 -16.229 -16.704 -5.185
142 HH21 ARG 19 HH21 ARG 19 -13.582 -16.741 -2.901
143 HH22 ARG 19 HH22 ARG 19 -14.809 -17.683 -3.677
Start of MODEL 2
1 H1 LYS 1 H1 LYS 1 3.308 -2.705 0.731
2 HA LYS 1 HA LYS 1 2.566 -0.088 -0.381
3 HB2 LYS 1 HB2 LYS 1 4.969 -0.491 -0.239
4 HB3 LYS 1 HB3 LYS 1 4.792 -1.983 -1.153
5 HG2 LYS 1 HG2 LYS 1 4.332 -0.851 -3.141
6 HG3 LYS 1 HG3 LYS 1 3.959 0.656 -2.301
7 HD2 LYS 1 HD2 LYS 1 6.400 0.623 -1.539
8 HD3 LYS 1 HD3 LYS 1 6.641 -0.615 -2.773
9 HE2 LYS 1 HE2 LYS 1 5.304 1.964 -3.479
10 HE3 LYS 1 HE3 LYS 1 7.060 1.892 -3.344
11 HZ1 LYS 1 HZ1 LYS 1 6.138 1.499 -5.620
12 HZ2 LYS 1 HZ2 LYS 1 5.493 0.043 -5.051
13 HZ3 LYS 1 HZ3 LYS 1 7.168 0.282 -5.052
14 H GLY 2 H GLY 2 2.852 -3.522 -1.261
15 HA2 GLY 2 HA2 GLY 2 1.410 -3.095 -3.740
16 HA3 GLY 2 HA3 GLY 2 2.026 -4.628 -3.139
17 H CYS 3 H CYS 3 0.582 -6.108 -2.290
18 HA CYS 3 HA CYS 3 -2.152 -5.167 -2.109
19 HB2 CYS 3 HB2 CYS 3 -1.105 -7.439 -3.197
20 HB3 CYS 3 HB3 CYS 3 -1.558 -8.029 -1.610
21 H TRP 4 H TRP 4 -3.150 -6.906 -0.246
22 HA TRP 4 HA TRP 4 -1.802 -6.093 2.244
23 HB2 TRP 4 HB2 TRP 4 -4.049 -6.164 3.297
24 HB3 TRP 4 HB3 TRP 4 -3.941 -4.977 2.000
25 HD1 TRP 4 HD1 TRP 4 -5.118 -5.721 -0.389
26 HE1 TRP 4 HE1 TRP 4 -7.207 -7.169 -0.794
27 HE3 TRP 4 HE3 TRP 4 -5.376 -8.061 4.149
28 HZ2 TRP 4 HZ2 TRP 4 -8.759 -9.053 0.622
29 HZ3 TRP 4 HZ3 TRP 4 -7.194 -9.672 4.543
30 HH2 TRP 4 HH2 TRP 4 -8.850 -10.156 2.815
31 H LYS 5 H LYS 5 -3.012 -8.712 0.382
32 HA LYS 5 HA LYS 5 -2.399 -10.558 2.596
33 HB2 LYS 5 HB2 LYS 5 -4.149 -12.005 1.951
34 HB3 LYS 5 HB3 LYS 5 -4.853 -10.393 1.931
35 HG2 LYS 5 HG2 LYS 5 -3.782 -11.737 -0.534
36 HG3 LYS 5 HG3 LYS 5 -5.457 -11.891 0.002
37 HD2 LYS 5 HD2 LYS 5 -4.987 -9.166 0.085
38 HD3 LYS 5 HD3 LYS 5 -4.133 -9.695 -1.367
39 HE2 LYS 5 HE2 LYS 5 -7.044 -10.060 -0.691
40 HE3 LYS 5 HE3 LYS 5 -6.350 -9.134 -2.021
41 HZ1 LYS 5 HZ1 LYS 5 -6.721 -12.022 -1.762
42 HZ2 LYS 5 HZ2 LYS 5 -5.361 -11.485 -2.612
43 HZ3 LYS 5 HZ3 LYS 5 -6.910 -11.025 -3.116
44 H CYS 6 H CYS 6 -2.148 -9.826 -0.806
45 HA CYS 6 HA CYS 6 -0.923 -12.279 -1.582
46 HB2 CYS 6 HB2 CYS 6 -0.810 -9.573 -2.931
47 HB3 CYS 6 HB3 CYS 6 -0.384 -11.115 -3.668
48 H GLY 7 H GLY 7 0.884 -12.848 -0.495
49 HA2 GLY 7 HA2 GLY 7 2.820 -11.199 0.595
50 HA3 GLY 7 HA3 GLY 7 3.108 -12.853 0.077
51 H LYS 8 H LYS 8 2.472 -12.275 -2.721
52 HA LYS 8 HA LYS 8 4.995 -11.799 -3.728
53 HB2 LYS 8 HB2 LYS 8 3.742 -11.164 -5.875
54 HB3 LYS 8 HB3 LYS 8 3.451 -12.765 -5.207
55 HG2 LYS 8 HG2 LYS 8 1.338 -12.141 -4.370
56 HG3 LYS 8 HG3 LYS 8 1.659 -10.425 -4.629
57 HD2 LYS 8 HD2 LYS 8 1.478 -12.464 -6.843
58 HD3 LYS 8 HD3 LYS 8 0.129 -11.456 -6.315
59 HE2 LYS 8 HE2 LYS 8 2.748 -10.527 -7.484
60 HE3 LYS 8 HE3 LYS 8 1.160 -10.450 -8.244
61 HZ1 LYS 8 HZ1 LYS 8 2.276 -8.794 -6.099
62 HZ2 LYS 8 HZ2 LYS 8 0.607 -9.068 -6.113
63 HZ3 LYS 8 HZ3 LYS 8 1.355 -8.338 -7.443
64 H GLU 9 H GLU 9 2.400 -9.485 -3.098
65 HA GLU 9 HA GLU 9 2.338 -7.207 -3.110
66 HB2 GLU 9 HB2 GLU 9 5.166 -7.734 -2.209
67 HB3 GLU 9 HB3 GLU 9 4.482 -6.115 -2.267
68 HG2 GLU 9 HG2 GLU 9 2.575 -7.258 -0.842
69 HG3 GLU 9 HG3 GLU 9 3.882 -8.368 -0.435
70 H GLY 10 H GLY 10 1.974 -6.922 -5.331
71 HA2 GLY 10 HA2 GLY 10 4.205 -5.642 -6.713
72 HA3 GLY 10 HA3 GLY 10 3.474 -7.029 -7.507
73 H HIS 11 H HIS 11 0.797 -6.613 -6.890
74 HA HIS 11 HA HIS 11 0.248 -4.246 -8.534
75 HB2 HIS 11 HB2 HIS 11 -1.979 -5.320 -8.906
76 HB3 HIS 11 HB3 HIS 11 -0.622 -6.284 -9.480
77 HD1 HIS 11 HD1 HIS 11 -0.487 -8.628 -8.642
78 HD2 HIS 11 HD2 HIS 11 -3.052 -6.286 -6.362
79 HE1 HIS 11 HE1 HIS 11 -1.595 -10.213 -7.035
80 H GLN 12 H GLN 12 -2.282 -3.623 -8.008
81 HA GLN 12 HA GLN 12 -2.144 -2.630 -5.262
82 HB2 GLN 12 HB2 GLN 12 -2.500 -0.892 -6.842
83 HB3 GLN 12 HB3 GLN 12 -3.756 -1.803 -7.669
84 HG2 GLN 12 HG2 GLN 12 -5.351 -1.273 -6.138
85 HG3 GLN 12 HG3 GLN 12 -4.193 -1.127 -4.817
86 HE21 GLN 12 HE21 GLN 12 -5.819 0.789 -4.664
87 HE22 GLN 12 HE22 GLN 12 -5.261 2.266 -5.363
88 H MET 13 H MET 13 -3.792 -2.904 -3.767
89 HA MET 13 HA MET 13 -5.134 -5.356 -3.774
90 HB2 MET 13 HB2 MET 13 -6.336 -4.501 -1.802
91 HB3 MET 13 HB3 MET 13 -4.609 -4.178 -1.711
92 HG2 MET 13 HG2 MET 13 -5.130 -1.872 -2.606
93 HG3 MET 13 HG3 MET 13 -6.826 -2.249 -2.311
94 HE1 MET 13 HE1 MET 13 -6.835 -3.249 1.312
95 HE2 MET 13 HE2 MET 13 -7.773 -1.875 0.728
96 HE3 MET 13 HE3 MET 13 -7.583 -3.308 -0.284
97 H LYS 14 H LYS 14 -6.246 -2.112 -4.621
98 HA LYS 14 HA LYS 14 -8.972 -2.684 -4.912
99 HB2 LYS 14 HB2 LYS 14 -7.851 -0.405 -4.895
100 HB3 LYS 14 HB3 LYS 14 -7.435 -0.693 -6.579
101 HG2 LYS 14 HG2 LYS 14 -10.274 -0.931 -5.692
102 HG3 LYS 14 HG3 LYS 14 -9.566 0.660 -5.980
103 HD2 LYS 14 HD2 LYS 14 -8.769 -0.580 -8.216
104 HD3 LYS 14 HD3 LYS 14 -10.239 -1.501 -7.890
105 HE2 LYS 14 HE2 LYS 14 -11.281 0.881 -7.552
106 HE3 LYS 14 HE3 LYS 14 -9.907 1.396 -8.528
107 HZ1 LYS 14 HZ1 LYS 14 -12.048 0.829 -9.737
108 HZ2 LYS 14 HZ2 LYS 14 -11.696 -0.790 -9.400
109 HZ3 LYS 14 HZ3 LYS 14 -10.628 0.131 -10.334
110 H ASP 15 H ASP 15 -6.258 -3.134 -7.088
111 HA ASP 15 HA ASP 15 -8.053 -4.084 -9.198
112 HB2 ASP 15 HB2 ASP 15 -5.054 -3.741 -9.339
113 HB3 ASP 15 HB3 ASP 15 -6.171 -3.948 -10.685
114 H CYS 16 H CYS 16 -6.781 -5.376 -6.552
115 HA CYS 16 HA CYS 16 -5.410 -7.676 -7.430
116 HB2 CYS 16 HB2 CYS 16 -5.294 -6.921 -5.115
117 HB3 CYS 16 HB3 CYS 16 -7.017 -7.217 -4.909
118 H THR 17 H THR 17 -6.089 -9.761 -7.832
119 HA THR 17 HA THR 17 -8.864 -10.010 -8.685
120 HB THR 17 HB THR 17 -8.215 -11.937 -9.907
121 HG1 THR 17 HG1 THR 17 -5.732 -11.862 -8.504
122 HG21 THR 17 HG21 THR 17 -6.269 -11.153 -11.219
123 HG22 THR 17 HG22 THR 17 -5.962 -9.927 -9.990
124 HG23 THR 17 HG23 THR 17 -7.452 -9.877 -10.933
125 H GLU 18 H GLU 18 -8.687 -9.876 -5.947
126 HA GLU 18 HA GLU 18 -8.433 -12.330 -4.612
127 HB2 GLU 18 HB2 GLU 18 -9.507 -11.283 -2.761
128 HB3 GLU 18 HB3 GLU 18 -8.536 -10.050 -3.552
129 HG2 GLU 18 HG2 GLU 18 -10.492 -9.122 -4.607
130 HG3 GLU 18 HG3 GLU 18 -11.496 -10.415 -3.953
131 H ARG 19 H ARG 19 -10.209 -13.553 -3.573
132 HA ARG 19 HA ARG 19 -12.604 -13.688 -5.282
133 HB2 ARG 19 HB2 ARG 19 -12.568 -16.116 -5.128
134 HB3 ARG 19 HB3 ARG 19 -11.063 -15.530 -5.823
135 HG2 ARG 19 HG2 ARG 19 -9.823 -16.301 -4.118
136 HG3 ARG 19 HG3 ARG 19 -11.035 -15.880 -2.908
137 HD2 ARG 19 HD2 ARG 19 -11.323 -18.106 -2.769
138 HD3 ARG 19 HD3 ARG 19 -12.301 -17.880 -4.219
139 HE ARG 19 HE ARG 19 -9.690 -18.250 -5.066
140 HH11 ARG 19 HH11 ARG 19 -12.116 -20.047 -3.332
141 HH12 ARG 19 HH12 ARG 19 -11.542 -21.592 -3.869
142 HH21 ARG 19 HH21 ARG 19 -8.925 -20.277 -5.779
143 HH22 ARG 19 HH22 ARG 19 -9.726 -21.721 -5.260
Start of MODEL 3
1 H1 LYS 1 H1 LYS 1 3.427 1.011 -4.073
2 HA LYS 1 HA LYS 1 3.587 -0.785 -1.756
3 HB2 LYS 1 HB2 LYS 1 1.796 1.538 -2.135
4 HB3 LYS 1 HB3 LYS 1 1.026 0.070 -1.548
5 HG2 LYS 1 HG2 LYS 1 1.603 1.238 0.382
6 HG3 LYS 1 HG3 LYS 1 2.868 0.017 0.218
7 HD2 LYS 1 HD2 LYS 1 4.274 1.749 -0.919
8 HD3 LYS 1 HD3 LYS 1 3.037 2.940 -0.507
9 HE2 LYS 1 HE2 LYS 1 4.768 3.043 1.146
10 HE3 LYS 1 HE3 LYS 1 3.336 2.331 1.886
11 HZ1 LYS 1 HZ1 LYS 1 4.612 0.643 2.493
12 HZ2 LYS 1 HZ2 LYS 1 5.931 1.233 1.614
13 HZ3 LYS 1 HZ3 LYS 1 4.799 0.224 0.864
14 H GLY 2 H GLY 2 3.003 -2.773 -2.312
15 HA2 GLY 2 HA2 GLY 2 1.463 -3.160 -4.772
16 HA3 GLY 2 HA3 GLY 2 2.383 -4.392 -3.922
17 H CYS 3 H CYS 3 1.140 -5.971 -2.993
18 HA CYS 3 HA CYS 3 -1.629 -5.318 -2.500
19 HB2 CYS 3 HB2 CYS 3 -0.434 -7.562 -3.497
20 HB3 CYS 3 HB3 CYS 3 -0.636 -8.025 -1.819
21 H TRP 4 H TRP 4 -2.156 -6.980 -0.373
22 HA TRP 4 HA TRP 4 -0.664 -5.729 1.838
23 HB2 TRP 4 HB2 TRP 4 -2.732 -5.994 3.177
24 HB3 TRP 4 HB3 TRP 4 -2.969 -4.966 1.767
25 HD1 TRP 4 HD1 TRP 4 -4.290 -6.147 -0.355
26 HE1 TRP 4 HE1 TRP 4 -6.154 -7.921 -0.330
27 HE3 TRP 4 HE3 TRP 4 -3.627 -7.954 4.381
28 HZ2 TRP 4 HZ2 TRP 4 -7.205 -9.833 1.460
29 HZ3 TRP 4 HZ3 TRP 4 -5.104 -9.756 5.173
30 HH2 TRP 4 HH2 TRP 4 -6.856 -10.674 3.742
31 H LYS 5 H LYS 5 -1.667 -8.678 0.392
32 HA LYS 5 HA LYS 5 -0.518 -10.170 2.658
33 HB2 LYS 5 HB2 LYS 5 -2.091 -11.908 2.391
34 HB3 LYS 5 HB3 LYS 5 -3.031 -10.423 2.316
35 HG2 LYS 5 HG2 LYS 5 -2.067 -11.871 -0.134
36 HG3 LYS 5 HG3 LYS 5 -3.623 -12.195 0.633
37 HD2 LYS 5 HD2 LYS 5 -3.564 -9.439 0.396
38 HD3 LYS 5 HD3 LYS 5 -2.820 -10.005 -1.102
39 HE2 LYS 5 HE2 LYS 5 -5.543 -10.674 -0.009
40 HE3 LYS 5 HE3 LYS 5 -5.152 -9.838 -1.511
41 HZ1 LYS 5 HZ1 LYS 5 -5.731 -12.034 -2.086
42 HZ2 LYS 5 HZ2 LYS 5 -4.756 -12.705 -0.878
43 HZ3 LYS 5 HZ3 LYS 5 -4.046 -11.959 -2.220
44 H CYS 6 H CYS 6 -0.804 -9.792 -0.800
45 HA CYS 6 HA CYS 6 0.654 -12.115 -1.535
46 HB2 CYS 6 HB2 CYS 6 0.270 -9.536 -3.071
47 HB3 CYS 6 HB3 CYS 6 0.817 -11.067 -3.747
48 H GLY 7 H GLY 7 2.653 -12.419 -0.755
49 HA2 GLY 7 HA2 GLY 7 4.475 -10.519 0.078
50 HA3 GLY 7 HA3 GLY 7 4.916 -12.120 -0.495
51 H LYS 8 H LYS 8 4.004 -11.810 -3.174
52 HA LYS 8 HA LYS 8 6.262 -10.853 -4.436
53 HB2 LYS 8 HB2 LYS 8 4.728 -10.647 -6.480
54 HB3 LYS 8 HB3 LYS 8 4.853 -12.227 -5.716
55 HG2 LYS 8 HG2 LYS 8 2.731 -12.002 -4.692
56 HG3 LYS 8 HG3 LYS 8 2.638 -10.289 -5.106
57 HD2 LYS 8 HD2 LYS 8 2.786 -12.477 -7.171
58 HD3 LYS 8 HD3 LYS 8 1.262 -11.847 -6.542
59 HE2 LYS 8 HE2 LYS 8 3.400 -10.280 -7.982
60 HE3 LYS 8 HE3 LYS 8 1.828 -10.748 -8.629
61 HZ1 LYS 8 HZ1 LYS 8 1.361 -8.647 -7.952
62 HZ2 LYS 8 HZ2 LYS 8 2.496 -8.657 -6.699
63 HZ3 LYS 8 HZ3 LYS 8 1.016 -9.452 -6.505
64 H GLU 9 H GLU 9 3.268 -9.134 -3.675
65 HA GLU 9 HA GLU 9 2.695 -6.930 -3.781
66 HB2 GLU 9 HB2 GLU 9 5.586 -6.881 -2.993
67 HB3 GLU 9 HB3 GLU 9 4.733 -5.370 -3.274
68 HG2 GLU 9 HG2 GLU 9 2.976 -6.483 -1.640
69 HG3 GLU 9 HG3 GLU 9 4.408 -7.361 -1.104
70 H GLY 10 H GLY 10 2.107 -6.862 -5.968
71 HA2 GLY 10 HA2 GLY 10 3.930 -5.263 -7.610
72 HA3 GLY 10 HA3 GLY 10 3.357 -6.786 -8.275
73 H HIS 11 H HIS 11 0.757 -6.886 -7.616
74 HA HIS 11 HA HIS 11 -0.348 -4.716 -9.217
75 HB2 HIS 11 HB2 HIS 11 -2.411 -6.131 -9.225
76 HB3 HIS 11 HB3 HIS 11 -0.994 -6.935 -9.894
77 HD1 HIS 11 HD1 HIS 11 -0.468 -9.175 -8.956
78 HD2 HIS 11 HD2 HIS 11 -2.958 -6.981 -6.457
79 HE1 HIS 11 HE1 HIS 11 -1.109 -10.745 -7.100
80 H GLN 12 H GLN 12 -2.869 -4.417 -8.428
81 HA GLN 12 HA GLN 12 -2.578 -3.145 -5.816
82 HB2 GLN 12 HB2 GLN 12 -3.415 -1.669 -7.481
83 HB3 GLN 12 HB3 GLN 12 -4.594 -2.850 -8.036
84 HG2 GLN 12 HG2 GLN 12 -6.046 -2.413 -6.339
85 HG3 GLN 12 HG3 GLN 12 -4.770 -1.931 -5.222
86 HE21 GLN 12 HE21 GLN 12 -3.620 0.122 -5.856
87 HE22 GLN 12 HE22 GLN 12 -4.605 1.416 -6.437
88 H MET 13 H MET 13 -3.957 -3.518 -4.090
89 HA MET 13 HA MET 13 -4.861 -6.142 -3.719
90 HB2 MET 13 HB2 MET 13 -5.902 -5.301 -1.656
91 HB3 MET 13 HB3 MET 13 -4.260 -4.700 -1.849
92 HG2 MET 13 HG2 MET 13 -5.271 -2.599 -2.806
93 HG3 MET 13 HG3 MET 13 -6.832 -3.211 -2.264
94 HE1 MET 13 HE1 MET 13 -7.323 -1.080 -0.427
95 HE2 MET 13 HE2 MET 13 -7.823 -2.766 -0.294
96 HE3 MET 13 HE3 MET 13 -7.156 -1.931 1.110
97 H LYS 14 H LYS 14 -6.582 -3.198 -4.636
98 HA LYS 14 HA LYS 14 -9.198 -4.171 -4.467
99 HB2 LYS 14 HB2 LYS 14 -8.357 -1.770 -4.887
100 HB3 LYS 14 HB3 LYS 14 -8.304 -2.228 -6.584
101 HG2 LYS 14 HG2 LYS 14 -10.811 -2.708 -5.059
102 HG3 LYS 14 HG3 LYS 14 -10.413 -1.060 -5.550
103 HD2 LYS 14 HD2 LYS 14 -10.127 -3.140 -7.627
104 HD3 LYS 14 HD3 LYS 14 -11.775 -2.794 -7.098
105 HE2 LYS 14 HE2 LYS 14 -11.422 -0.418 -7.568
106 HE3 LYS 14 HE3 LYS 14 -9.776 -0.766 -8.095
107 HZ1 LYS 14 HZ1 LYS 14 -11.580 -2.428 -9.481
108 HZ2 LYS 14 HZ2 LYS 14 -10.530 -1.256 -10.102
109 HZ3 LYS 14 HZ3 LYS 14 -12.093 -0.822 -9.623
110 H ASP 15 H ASP 15 -6.775 -4.486 -6.987
111 HA ASP 15 HA ASP 15 -8.676 -5.927 -8.687
112 HB2 ASP 15 HB2 ASP 15 -5.878 -4.915 -9.228
113 HB3 ASP 15 HB3 ASP 15 -6.842 -5.828 -10.386
114 H CYS 16 H CYS 16 -6.775 -6.671 -6.184
115 HA CYS 16 HA CYS 16 -5.193 -8.824 -7.026
116 HB2 CYS 16 HB2 CYS 16 -4.943 -7.810 -4.820
117 HB3 CYS 16 HB3 CYS 16 -6.548 -8.369 -4.360
118 H THR 17 H THR 17 -5.544 -11.026 -7.135
119 HA THR 17 HA THR 17 -8.303 -11.806 -7.626
120 HB THR 17 HB THR 17 -7.453 -13.768 -8.669
121 HG1 THR 17 HG1 THR 17 -5.325 -14.439 -8.426
122 HG21 THR 17 HG21 THR 17 -7.177 -11.790 -10.030
123 HG22 THR 17 HG22 THR 17 -5.800 -12.861 -10.283
124 HG23 THR 17 HG23 THR 17 -5.631 -11.434 -9.260
125 H GLU 18 H GLU 18 -8.003 -11.305 -4.978
126 HA GLU 18 HA GLU 18 -7.240 -13.560 -3.435
127 HB2 GLU 18 HB2 GLU 18 -8.180 -12.411 -1.565
128 HB3 GLU 18 HB3 GLU 18 -7.420 -11.202 -2.590
129 HG2 GLU 18 HG2 GLU 18 -9.557 -10.531 -3.467
130 HG3 GLU 18 HG3 GLU 18 -10.363 -11.824 -2.581
131 H ARG 19 H ARG 19 -10.208 -12.585 -4.994
132 HA ARG 19 HA ARG 19 -11.908 -14.417 -3.624
133 HB2 ARG 19 HB2 ARG 19 -12.644 -12.334 -4.853
134 HB3 ARG 19 HB3 ARG 19 -12.368 -13.211 -6.352
135 HG2 ARG 19 HG2 ARG 19 -13.966 -14.973 -5.320
136 HG3 ARG 19 HG3 ARG 19 -14.457 -13.645 -4.266
137 HD2 ARG 19 HD2 ARG 19 -14.986 -12.285 -6.230
138 HD3 ARG 19 HD3 ARG 19 -14.493 -13.612 -7.282
139 HE ARG 19 HE ARG 19 -16.410 -14.711 -5.698
140 HH11 ARG 19 HH11 ARG 19 -16.266 -11.902 -7.750
141 HH12 ARG 19 HH12 ARG 19 -17.952 -11.944 -8.146
142 HH21 ARG 19 HH21 ARG 19 -18.631 -14.777 -6.213
143 HH22 ARG 19 HH22 ARG 19 -19.296 -13.580 -7.271
Start of MODEL 4
1 H1 LYS 1 H1 LYS 1 6.067 -1.442 -2.594
2 HA LYS 1 HA LYS 1 4.275 -2.136 -0.391
3 HB2 LYS 1 HB2 LYS 1 2.743 -0.240 -1.164
4 HB3 LYS 1 HB3 LYS 1 4.155 0.207 -0.216
5 HG2 LYS 1 HG2 LYS 1 4.426 0.202 -3.169
6 HG3 LYS 1 HG3 LYS 1 3.474 1.490 -2.426
7 HD2 LYS 1 HD2 LYS 1 6.132 0.857 -1.252
8 HD3 LYS 1 HD3 LYS 1 6.088 1.718 -2.793
9 HE2 LYS 1 HE2 LYS 1 4.474 3.327 -1.686
10 HE3 LYS 1 HE3 LYS 1 4.898 2.556 -0.159
11 HZ1 LYS 1 HZ1 LYS 1 7.049 3.537 -1.897
12 HZ2 LYS 1 HZ2 LYS 1 7.008 3.399 -0.212
13 HZ3 LYS 1 HZ3 LYS 1 6.173 4.655 -0.979
14 H GLY 2 H GLY 2 2.303 -3.037 -1.035
15 HA2 GLY 2 HA2 GLY 2 1.542 -3.168 -3.800
16 HA3 GLY 2 HA3 GLY 2 2.253 -4.670 -3.228
17 H CYS 3 H CYS 3 0.668 -6.171 -2.825
18 HA CYS 3 HA CYS 3 -1.958 -5.296 -2.219
19 HB2 CYS 3 HB2 CYS 3 -0.921 -7.561 -3.332
20 HB3 CYS 3 HB3 CYS 3 -1.261 -8.132 -1.710
21 H TRP 4 H TRP 4 -2.799 -7.017 -0.268
22 HA TRP 4 HA TRP 4 -1.309 -6.138 2.119
23 HB2 TRP 4 HB2 TRP 4 -3.486 -6.222 3.313
24 HB3 TRP 4 HB3 TRP 4 -3.474 -5.053 1.995
25 HD1 TRP 4 HD1 TRP 4 -4.777 -5.855 -0.312
26 HE1 TRP 4 HE1 TRP 4 -6.873 -7.328 -0.566
27 HE3 TRP 4 HE3 TRP 4 -4.748 -8.106 4.278
28 HZ2 TRP 4 HZ2 TRP 4 -8.322 -9.196 0.976
29 HZ3 TRP 4 HZ3 TRP 4 -6.524 -9.724 4.810
30 HH2 TRP 4 HH2 TRP 4 -8.274 -10.255 3.192
31 H LYS 5 H LYS 5 -2.648 -8.803 0.397
32 HA LYS 5 HA LYS 5 -1.873 -10.603 2.599
33 HB2 LYS 5 HB2 LYS 5 -3.629 -12.084 2.061
34 HB3 LYS 5 HB3 LYS 5 -4.357 -10.483 2.043
35 HG2 LYS 5 HG2 LYS 5 -3.368 -11.834 -0.450
36 HG3 LYS 5 HG3 LYS 5 -5.008 -12.047 0.169
37 HD2 LYS 5 HD2 LYS 5 -4.609 -9.298 0.195
38 HD3 LYS 5 HD3 LYS 5 -3.857 -9.836 -1.309
39 HE2 LYS 5 HE2 LYS 5 -6.698 -10.237 -0.402
40 HE3 LYS 5 HE3 LYS 5 -6.123 -9.348 -1.812
41 HZ1 LYS 5 HZ1 LYS 5 -6.709 -11.275 -2.813
42 HZ2 LYS 5 HZ2 LYS 5 -6.453 -12.222 -1.435
43 HZ3 LYS 5 HZ3 LYS 5 -5.138 -11.720 -2.372
44 H CYS 6 H CYS 6 -1.746 -9.893 -0.806
45 HA CYS 6 HA CYS 6 -0.516 -12.356 -1.587
46 HB2 CYS 6 HB2 CYS 6 -0.549 -9.693 -3.023
47 HB3 CYS 6 HB3 CYS 6 -0.135 -11.250 -3.733
48 H GLY 7 H GLY 7 1.367 -12.840 -0.597
49 HA2 GLY 7 HA2 GLY 7 3.300 -11.120 0.364
50 HA3 GLY 7 HA3 GLY 7 3.623 -12.763 -0.169
51 H LYS 8 H LYS 8 2.849 -12.270 -2.923
52 HA LYS 8 HA LYS 8 5.288 -11.655 -4.053
53 HB2 LYS 8 HB2 LYS 8 3.901 -11.144 -6.151
54 HB3 LYS 8 HB3 LYS 8 3.748 -12.747 -5.444
55 HG2 LYS 8 HG2 LYS 8 1.640 -12.235 -4.503
56 HG3 LYS 8 HG3 LYS 8 1.831 -10.513 -4.843
57 HD2 LYS 8 HD2 LYS 8 1.675 -12.655 -6.961
58 HD3 LYS 8 HD3 LYS 8 0.296 -11.702 -6.411
59 HE2 LYS 8 HE2 LYS 8 2.797 -10.685 -7.752
60 HE3 LYS 8 HE3 LYS 8 1.169 -10.725 -8.428
61 HZ1 LYS 8 HZ1 LYS 8 0.692 -9.294 -6.280
62 HZ2 LYS 8 HZ2 LYS 8 1.227 -8.587 -7.721
63 HZ3 LYS 8 HZ3 LYS 8 2.324 -8.892 -6.470
64 H GLU 9 H GLU 9 2.572 -9.499 -3.365
65 HA GLU 9 HA GLU 9 2.362 -7.229 -3.424
66 HB2 GLU 9 HB2 GLU 9 5.187 -7.655 -2.510
67 HB3 GLU 9 HB3 GLU 9 4.577 -6.025 -2.755
68 HG2 GLU 9 HG2 GLU 9 2.602 -6.944 -1.246
69 HG3 GLU 9 HG3 GLU 9 3.877 -8.026 -0.688
70 H GLY 10 H GLY 10 1.910 -7.014 -5.635
71 HA2 GLY 10 HA2 GLY 10 4.020 -5.641 -7.119
72 HA3 GLY 10 HA3 GLY 10 3.326 -7.075 -7.862
73 H HIS 11 H HIS 11 0.672 -6.835 -7.267
74 HA HIS 11 HA HIS 11 -0.059 -4.535 -8.915
75 HB2 HIS 11 HB2 HIS 11 -2.268 -5.703 -9.093
76 HB3 HIS 11 HB3 HIS 11 -0.910 -6.638 -9.711
77 HD1 HIS 11 HD1 HIS 11 -0.587 -8.923 -8.753
78 HD2 HIS 11 HD2 HIS 11 -3.178 -6.604 -6.478
79 HE1 HIS 11 HE1 HIS 11 -1.535 -10.479 -7.019
80 H GLN 12 H GLN 12 -2.574 -3.962 -8.282
81 HA GLN 12 HA GLN 12 -2.316 -2.788 -5.623
82 HB2 GLN 12 HB2 GLN 12 -2.896 -1.196 -7.284
83 HB3 GLN 12 HB3 GLN 12 -4.143 -2.239 -7.954
84 HG2 GLN 12 HG2 GLN 12 -5.665 -1.682 -6.367
85 HG3 GLN 12 HG3 GLN 12 -4.440 -1.402 -5.131
86 HE21 GLN 12 HE21 GLN 12 -6.361 0.386 -5.206
87 HE22 GLN 12 HE22 GLN 12 -5.845 1.866 -5.933
88 H MET 13 H MET 13 -3.775 -3.094 -3.970
89 HA MET 13 HA MET 13 -5.011 -5.603 -3.768
90 HB2 MET 13 HB2 MET 13 -6.049 -4.688 -1.700
91 HB3 MET 13 HB3 MET 13 -4.313 -4.426 -1.785
92 HG2 MET 13 HG2 MET 13 -5.306 -2.146 -2.924
93 HG3 MET 13 HG3 MET 13 -6.499 -2.505 -1.678
94 HE1 MET 13 HE1 MET 13 -5.503 -0.066 -1.585
95 HE2 MET 13 HE2 MET 13 -5.515 -0.108 0.178
96 HE3 MET 13 HE3 MET 13 -4.052 0.373 -0.683
97 H LYS 14 H LYS 14 -6.299 -2.420 -4.578
98 HA LYS 14 HA LYS 14 -9.027 -3.056 -4.523
99 HB2 LYS 14 HB2 LYS 14 -7.873 -0.760 -4.766
100 HB3 LYS 14 HB3 LYS 14 -7.830 -1.117 -6.487
101 HG2 LYS 14 HG2 LYS 14 -10.422 -1.368 -5.053
102 HG3 LYS 14 HG3 LYS 14 -9.804 0.245 -5.419
103 HD2 LYS 14 HD2 LYS 14 -9.742 -1.734 -7.619
104 HD3 LYS 14 HD3 LYS 14 -11.334 -1.160 -7.114
105 HE2 LYS 14 HE2 LYS 14 -10.664 1.133 -7.484
106 HE3 LYS 14 HE3 LYS 14 -9.019 0.624 -7.862
107 HZ1 LYS 14 HZ1 LYS 14 -9.797 0.742 -9.956
108 HZ2 LYS 14 HZ2 LYS 14 -11.413 0.529 -9.505
109 HZ3 LYS 14 HZ3 LYS 14 -10.386 -0.809 -9.628
110 H ASP 15 H ASP 15 -6.579 -3.521 -6.995
111 HA ASP 15 HA ASP 15 -8.589 -4.606 -8.831
112 HB2 ASP 15 HB2 ASP 15 -6.740 -2.919 -9.515
113 HB3 ASP 15 HB3 ASP 15 -5.666 -4.315 -9.468
114 H CYS 16 H CYS 16 -6.866 -5.731 -6.340
115 HA CYS 16 HA CYS 16 -5.526 -8.001 -7.278
116 HB2 CYS 16 HB2 CYS 16 -5.214 -7.208 -5.008
117 HB3 CYS 16 HB3 CYS 16 -6.907 -7.513 -4.632
118 H THR 17 H THR 17 -6.130 -10.111 -7.611
119 HA THR 17 HA THR 17 -8.938 -10.526 -8.223
120 HB THR 17 HB THR 17 -7.375 -11.295 -9.885
121 HG1 THR 17 HG1 THR 17 -8.242 -13.299 -10.142
122 HG21 THR 17 HG21 THR 17 -5.352 -11.717 -8.846
123 HG22 THR 17 HG22 THR 17 -5.926 -13.352 -9.174
124 HG23 THR 17 HG23 THR 17 -6.092 -12.666 -7.558
125 H GLU 18 H GLU 18 -9.031 -10.272 -5.652
126 HA GLU 18 HA GLU 18 -8.504 -12.707 -4.210
127 HB2 GLU 18 HB2 GLU 18 -9.372 -11.581 -2.295
128 HB3 GLU 18 HB3 GLU 18 -8.414 -10.411 -3.192
129 HG2 GLU 18 HG2 GLU 18 -10.413 -9.415 -4.106
130 HG3 GLU 18 HG3 GLU 18 -11.412 -10.638 -3.323
131 H ARG 19 H ARG 19 -10.066 -14.080 -3.266
132 HA ARG 19 HA ARG 19 -12.375 -14.503 -4.947
133 HB2 ARG 19 HB2 ARG 19 -11.038 -16.409 -4.184
134 HB3 ARG 19 HB3 ARG 19 -11.403 -16.007 -2.511
135 HG2 ARG 19 HG2 ARG 19 -12.815 -17.803 -3.115
136 HG3 ARG 19 HG3 ARG 19 -13.826 -16.358 -3.060
137 HD2 ARG 19 HD2 ARG 19 -14.466 -17.487 -5.020
138 HD3 ARG 19 HD3 ARG 19 -13.427 -16.170 -5.562
139 HE ARG 19 HE ARG 19 -12.015 -18.631 -5.135
140 HH11 ARG 19 HH11 ARG 19 -13.916 -16.789 -7.396
141 HH12 ARG 19 HH12 ARG 19 -13.260 -17.579 -8.792
142 HH21 ARG 19 HH21 ARG 19 -11.143 -19.678 -6.964
143 HH22 ARG 19 HH22 ARG 19 -11.683 -19.223 -8.545
Start of MODEL 5
1 H1 LYS 1 H1 LYS 1 3.338 0.488 -2.829
2 HA LYS 1 HA LYS 1 4.915 -1.593 -1.474
3 HB2 LYS 1 HB2 LYS 1 2.960 -1.826 0.122
4 HB3 LYS 1 HB3 LYS 1 3.951 -0.387 0.324
5 HG2 LYS 1 HG2 LYS 1 2.317 1.000 -0.648
6 HG3 LYS 1 HG3 LYS 1 1.414 -0.378 -1.281
7 HD2 LYS 1 HD2 LYS 1 0.180 0.305 0.585
8 HD3 LYS 1 HD3 LYS 1 1.122 -1.067 1.172
9 HE2 LYS 1 HE2 LYS 1 1.343 0.551 2.847
10 HE3 LYS 1 HE3 LYS 1 2.841 0.669 1.925
11 HZ1 LYS 1 HZ1 LYS 1 1.926 2.565 0.743
12 HZ2 LYS 1 HZ2 LYS 1 1.925 2.850 2.410
13 HZ3 LYS 1 HZ3 LYS 1 0.483 2.450 1.620
14 H GLY 2 H GLY 2 3.860 -3.696 -1.381
15 HA2 GLY 2 HA2 GLY 2 2.445 -4.237 -3.854
16 HA3 GLY 2 HA3 GLY 2 3.066 -5.429 -2.723
17 H CYS 3 H CYS 3 1.053 -6.659 -2.873
18 HA CYS 3 HA CYS 3 -1.404 -5.436 -2.321
19 HB2 CYS 3 HB2 CYS 3 -0.629 -7.887 -3.262
20 HB3 CYS 3 HB3 CYS 3 -1.142 -8.304 -1.640
21 H TRP 4 H TRP 4 -2.502 -7.020 -0.329
22 HA TRP 4 HA TRP 4 -1.056 -6.123 2.076
23 HB2 TRP 4 HB2 TRP 4 -3.273 -6.012 3.177
24 HB3 TRP 4 HB3 TRP 4 -3.156 -4.934 1.789
25 HD1 TRP 4 HD1 TRP 4 -4.432 -5.806 -0.502
26 HE1 TRP 4 HE1 TRP 4 -6.586 -7.196 -0.741
27 HE3 TRP 4 HE3 TRP 4 -4.643 -7.790 4.205
28 HZ2 TRP 4 HZ2 TRP 4 -8.165 -8.906 0.856
29 HZ3 TRP 4 HZ3 TRP 4 -6.507 -9.294 4.768
30 HH2 TRP 4 HH2 TRP 4 -8.231 -9.839 3.127
31 H LYS 5 H LYS 5 -2.418 -8.800 0.415
32 HA LYS 5 HA LYS 5 -1.834 -10.525 2.732
33 HB2 LYS 5 HB2 LYS 5 -3.665 -11.921 2.236
34 HB3 LYS 5 HB3 LYS 5 -4.296 -10.286 2.095
35 HG2 LYS 5 HG2 LYS 5 -3.338 -11.884 -0.263
36 HG3 LYS 5 HG3 LYS 5 -5.009 -11.894 0.304
37 HD2 LYS 5 HD2 LYS 5 -4.346 -9.200 0.141
38 HD3 LYS 5 HD3 LYS 5 -3.605 -9.923 -1.289
39 HE2 LYS 5 HE2 LYS 5 -6.498 -9.990 -0.461
40 HE3 LYS 5 HE3 LYS 5 -5.800 -9.258 -1.905
41 HZ1 LYS 5 HZ1 LYS 5 -5.060 -11.636 -2.442
42 HZ2 LYS 5 HZ2 LYS 5 -6.687 -11.238 -2.670
43 HZ3 LYS 5 HZ3 LYS 5 -6.216 -12.115 -1.303
44 H CYS 6 H CYS 6 -1.666 -10.049 -0.726
45 HA CYS 6 HA CYS 6 -0.651 -12.568 -1.458
46 HB2 CYS 6 HB2 CYS 6 -0.182 -9.870 -2.746
47 HB3 CYS 6 HB3 CYS 6 0.158 -11.427 -3.495
48 H GLY 7 H GLY 7 1.184 -9.513 -1.205
49 HA2 GLY 7 HA2 GLY 7 3.212 -9.220 -0.032
50 HA3 GLY 7 HA3 GLY 7 3.363 -10.966 0.096
51 H LYS 8 H LYS 8 2.839 -11.414 -2.741
52 HA LYS 8 HA LYS 8 5.408 -11.525 -3.730
53 HB2 LYS 8 HB2 LYS 8 4.252 -11.616 -6.022
54 HB3 LYS 8 HB3 LYS 8 3.817 -12.842 -4.838
55 HG2 LYS 8 HG2 LYS 8 1.705 -12.054 -4.589
56 HG3 LYS 8 HG3 LYS 8 2.173 -10.380 -4.900
57 HD2 LYS 8 HD2 LYS 8 2.298 -12.403 -7.100
58 HD3 LYS 8 HD3 LYS 8 0.752 -11.674 -6.657
59 HE2 LYS 8 HE2 LYS 8 3.245 -10.177 -7.464
60 HE3 LYS 8 HE3 LYS 8 1.839 -10.462 -8.489
61 HZ1 LYS 8 HZ1 LYS 8 1.174 -8.490 -7.710
62 HZ2 LYS 8 HZ2 LYS 8 2.218 -8.530 -6.380
63 HZ3 LYS 8 HZ3 LYS 8 0.733 -9.337 -6.314
64 H GLU 9 H GLU 9 3.135 -8.873 -3.820
65 HA GLU 9 HA GLU 9 3.358 -6.686 -4.407
66 HB2 GLU 9 HB2 GLU 9 5.643 -7.212 -3.166
67 HB3 GLU 9 HB3 GLU 9 6.305 -6.955 -4.774
68 HG2 GLU 9 HG2 GLU 9 4.785 -4.781 -4.622
69 HG3 GLU 9 HG3 GLU 9 5.065 -5.033 -2.900
70 H GLY 10 H GLY 10 2.472 -6.356 -6.351
71 HA2 GLY 10 HA2 GLY 10 4.102 -6.055 -8.652
72 HA3 GLY 10 HA3 GLY 10 3.191 -7.554 -8.754
73 H HIS 11 H HIS 11 0.840 -6.643 -7.434
74 HA HIS 11 HA HIS 11 -0.141 -4.638 -9.359
75 HB2 HIS 11 HB2 HIS 11 -2.327 -5.839 -9.302
76 HB3 HIS 11 HB3 HIS 11 -1.022 -6.791 -10.005
77 HD1 HIS 11 HD1 HIS 11 -0.615 -9.043 -9.010
78 HD2 HIS 11 HD2 HIS 11 -2.971 -6.642 -6.572
79 HE1 HIS 11 HE1 HIS 11 -1.386 -10.536 -7.139
80 H GLN 12 H GLN 12 -2.589 -4.103 -8.466
81 HA GLN 12 HA GLN 12 -2.081 -2.958 -5.816
82 HB2 GLN 12 HB2 GLN 12 -2.657 -1.281 -7.391
83 HB3 GLN 12 HB3 GLN 12 -3.991 -2.232 -8.030
84 HG2 GLN 12 HG2 GLN 12 -5.391 -1.684 -6.315
85 HG3 GLN 12 HG3 GLN 12 -4.073 -1.438 -5.170
86 HE21 GLN 12 HE21 GLN 12 -6.271 0.034 -7.253
87 HE22 GLN 12 HE22 GLN 12 -5.646 1.643 -7.182
88 H MET 13 H MET 13 -3.543 -3.162 -4.120
89 HA MET 13 HA MET 13 -4.816 -5.624 -3.822
90 HB2 MET 13 HB2 MET 13 -5.865 -4.625 -1.808
91 HB3 MET 13 HB3 MET 13 -4.133 -4.335 -1.897
92 HG2 MET 13 HG2 MET 13 -4.989 -2.110 -3.092
93 HG3 MET 13 HG3 MET 13 -6.389 -2.440 -2.073
94 HE1 MET 13 HE1 MET 13 -2.480 -3.132 -1.241
95 HE2 MET 13 HE2 MET 13 -2.651 -1.742 -2.313
96 HE3 MET 13 HE3 MET 13 -2.121 -1.510 -0.647
97 H LYS 14 H LYS 14 -6.141 -2.460 -4.695
98 HA LYS 14 HA LYS 14 -8.852 -3.132 -4.678
99 HB2 LYS 14 HB2 LYS 14 -7.713 -0.830 -4.969
100 HB3 LYS 14 HB3 LYS 14 -7.665 -1.229 -6.681
101 HG2 LYS 14 HG2 LYS 14 -10.255 -1.464 -5.239
102 HG3 LYS 14 HG3 LYS 14 -9.651 0.142 -5.652
103 HD2 LYS 14 HD2 LYS 14 -9.563 -1.888 -7.799
104 HD3 LYS 14 HD3 LYS 14 -11.166 -1.340 -7.304
105 HE2 LYS 14 HE2 LYS 14 -10.708 0.225 -8.899
106 HE3 LYS 14 HE3 LYS 14 -10.016 1.034 -7.493
107 HZ1 LYS 14 HZ1 LYS 14 -8.082 -0.661 -8.633
108 HZ2 LYS 14 HZ2 LYS 14 -8.048 1.023 -8.475
109 HZ3 LYS 14 HZ3 LYS 14 -8.730 0.317 -9.853
110 H ASP 15 H ASP 15 -6.380 -3.592 -7.135
111 HA ASP 15 HA ASP 15 -8.360 -4.779 -8.941
112 HB2 ASP 15 HB2 ASP 15 -6.544 -3.042 -9.644
113 HB3 ASP 15 HB3 ASP 15 -5.459 -4.430 -9.624
114 H CYS 16 H CYS 16 -6.837 -5.868 -6.405
115 HA CYS 16 HA CYS 16 -5.335 -8.091 -7.308
116 HB2 CYS 16 HB2 CYS 16 -5.064 -7.230 -5.050
117 HB3 CYS 16 HB3 CYS 16 -6.742 -7.608 -4.674
118 H THR 17 H THR 17 -5.886 -10.228 -7.583
119 HA THR 17 HA THR 17 -8.642 -10.727 -8.290
120 HB THR 17 HB THR 17 -6.957 -11.620 -9.764
121 HG1 THR 17 HG1 THR 17 -7.943 -13.881 -8.367
122 HG21 THR 17 HG21 THR 17 -5.025 -11.953 -8.532
123 HG22 THR 17 HG22 THR 17 -5.573 -13.608 -8.795
124 HG23 THR 17 HG23 THR 17 -5.868 -12.816 -7.247
125 H GLU 18 H GLU 18 -8.881 -10.258 -5.743
126 HA GLU 18 HA GLU 18 -8.529 -12.638 -4.137
127 HB2 GLU 18 HB2 GLU 18 -9.302 -11.344 -2.302
128 HB3 GLU 18 HB3 GLU 18 -8.278 -10.282 -3.259
129 HG2 GLU 18 HG2 GLU 18 -10.227 -9.233 -4.238
130 HG3 GLU 18 HG3 GLU 18 -11.285 -10.340 -3.364
131 H ARG 19 H ARG 19 -10.604 -13.064 -2.649
132 HA ARG 19 HA ARG 19 -12.750 -13.741 -4.535
133 HB2 ARG 19 HB2 ARG 19 -11.461 -15.476 -3.055
134 HB3 ARG 19 HB3 ARG 19 -12.534 -14.905 -1.784
135 HG2 ARG 19 HG2 ARG 19 -13.657 -16.739 -2.622
136 HG3 ARG 19 HG3 ARG 19 -14.422 -15.395 -3.473
137 HD2 ARG 19 HD2 ARG 19 -12.743 -15.819 -5.333
138 HD3 ARG 19 HD3 ARG 19 -12.369 -17.332 -4.508
139 HE ARG 19 HE ARG 19 -15.153 -17.122 -4.901
140 HH11 ARG 19 HH11 ARG 19 -12.197 -17.663 -6.659
141 HH12 ARG 19 HH12 ARG 19 -12.956 -18.602 -7.903
142 HH21 ARG 19 HH21 ARG 19 -16.163 -18.356 -6.532
143 HH22 ARG 19 HH22 ARG 19 -15.212 -18.994 -7.830
Start of MODEL 6
1 H1 LYS 1 H1 LYS 1 3.385 1.268 -2.556
2 HA LYS 1 HA LYS 1 3.842 -1.304 -1.201
3 HB2 LYS 1 HB2 LYS 1 1.679 0.772 -0.928
4 HB3 LYS 1 HB3 LYS 1 1.459 -0.869 -0.332
5 HG2 LYS 1 HG2 LYS 1 3.209 -0.636 1.238
6 HG3 LYS 1 HG3 LYS 1 3.770 0.864 0.495
7 HD2 LYS 1 HD2 LYS 1 1.019 0.603 1.677
8 HD3 LYS 1 HD3 LYS 1 2.418 1.057 2.654
9 HE2 LYS 1 HE2 LYS 1 2.638 3.094 1.638
10 HE3 LYS 1 HE3 LYS 1 1.944 2.532 0.118
11 HZ1 LYS 1 HZ1 LYS 1 0.571 3.427 2.562
12 HZ2 LYS 1 HZ2 LYS 1 -0.209 2.360 1.507
13 HZ3 LYS 1 HZ3 LYS 1 0.295 3.877 0.955
14 H GLY 2 H GLY 2 2.871 -3.136 -1.912
15 HA2 GLY 2 HA2 GLY 2 1.394 -2.917 -4.447
16 HA3 GLY 2 HA3 GLY 2 2.255 -4.344 -3.888
17 H CYS 3 H CYS 3 1.051 -6.006 -3.027
18 HA CYS 3 HA CYS 3 -1.748 -5.461 -2.646
19 HB2 CYS 3 HB2 CYS 3 -0.412 -7.616 -3.654
20 HB3 CYS 3 HB3 CYS 3 -0.697 -8.160 -2.013
21 H TRP 4 H TRP 4 -2.362 -7.221 -0.630
22 HA TRP 4 HA TRP 4 -1.060 -6.026 1.728
23 HB2 TRP 4 HB2 TRP 4 -3.205 -6.406 2.910
24 HB3 TRP 4 HB3 TRP 4 -3.376 -5.322 1.532
25 HD1 TRP 4 HD1 TRP 4 -4.513 -6.444 -0.725
26 HE1 TRP 4 HE1 TRP 4 -6.324 -8.265 -0.903
27 HE3 TRP 4 HE3 TRP 4 -4.125 -8.437 3.967
28 HZ2 TRP 4 HZ2 TRP 4 -7.440 -10.279 0.730
29 HZ3 TRP 4 HZ3 TRP 4 -5.600 -10.308 4.580
30 HH2 TRP 4 HH2 TRP 4 -7.223 -11.208 2.993
31 H LYS 5 H LYS 5 -1.862 -8.934 0.092
32 HA LYS 5 HA LYS 5 -0.822 -10.491 2.367
33 HB2 LYS 5 HB2 LYS 5 -2.326 -12.256 1.934
34 HB3 LYS 5 HB3 LYS 5 -3.301 -10.794 1.863
35 HG2 LYS 5 HG2 LYS 5 -2.155 -12.119 -0.579
36 HG3 LYS 5 HG3 LYS 5 -3.749 -12.502 0.076
37 HD2 LYS 5 HD2 LYS 5 -3.745 -9.743 -0.049
38 HD3 LYS 5 HD3 LYS 5 -2.880 -10.223 -1.511
39 HE2 LYS 5 HE2 LYS 5 -5.651 -11.025 -0.649
40 HE3 LYS 5 HE3 LYS 5 -5.189 -10.087 -2.068
41 HZ1 LYS 5 HZ1 LYS 5 -3.841 -12.267 -2.582
42 HZ2 LYS 5 HZ2 LYS 5 -5.470 -12.119 -3.011
43 HZ3 LYS 5 HZ3 LYS 5 -5.037 -12.973 -1.616
44 H CYS 6 H CYS 6 -0.920 -9.988 -1.089
45 HA CYS 6 HA CYS 6 0.658 -12.237 -1.813
46 HB2 CYS 6 HB2 CYS 6 0.260 -9.628 -3.292
47 HB3 CYS 6 HB3 CYS 6 0.897 -11.117 -3.981
48 H GLY 7 H GLY 7 2.569 -12.432 -0.753
49 HA2 GLY 7 HA2 GLY 7 4.274 -10.434 0.103
50 HA3 GLY 7 HA3 GLY 7 4.794 -12.059 -0.321
51 H LYS 8 H LYS 8 3.951 -11.797 -3.109
52 HA LYS 8 HA LYS 8 6.318 -11.015 -4.288
53 HB2 LYS 8 HB2 LYS 8 4.879 -10.734 -6.396
54 HB3 LYS 8 HB3 LYS 8 4.881 -12.309 -5.614
55 HG2 LYS 8 HG2 LYS 8 2.738 -11.959 -4.687
56 HG3 LYS 8 HG3 LYS 8 2.766 -10.241 -5.088
57 HD2 LYS 8 HD2 LYS 8 2.826 -12.443 -7.146
58 HD3 LYS 8 HD3 LYS 8 1.345 -11.655 -6.595
59 HE2 LYS 8 HE2 LYS 8 3.691 -10.350 -7.969
60 HE3 LYS 8 HE3 LYS 8 2.091 -10.634 -8.652
61 HZ1 LYS 8 HZ1 LYS 8 1.824 -8.501 -7.998
62 HZ2 LYS 8 HZ2 LYS 8 2.968 -8.600 -6.756
63 HZ3 LYS 8 HZ3 LYS 8 1.416 -9.232 -6.528
64 H GLU 9 H GLU 9 3.422 -9.084 -3.671
65 HA GLU 9 HA GLU 9 3.015 -6.847 -3.793
66 HB2 GLU 9 HB2 GLU 9 5.592 -7.206 -2.579
67 HB3 GLU 9 HB3 GLU 9 5.595 -5.724 -3.523
68 HG2 GLU 9 HG2 GLU 9 3.723 -4.867 -2.307
69 HG3 GLU 9 HG3 GLU 9 3.508 -6.401 -1.467
70 H GLY 10 H GLY 10 2.416 -6.704 -5.954
71 HA2 GLY 10 HA2 GLY 10 4.312 -5.249 -7.623
72 HA3 GLY 10 HA3 GLY 10 3.733 -6.780 -8.263
73 H HIS 11 H HIS 11 1.106 -6.797 -7.582
74 HA HIS 11 HA HIS 11 0.069 -4.610 -9.230
75 HB2 HIS 11 HB2 HIS 11 -1.976 -6.039 -9.391
76 HB3 HIS 11 HB3 HIS 11 -0.523 -6.806 -10.024
77 HD1 HIS 11 HD1 HIS 11 0.106 -9.025 -9.051
78 HD2 HIS 11 HD2 HIS 11 -2.770 -7.056 -6.790
79 HE1 HIS 11 HE1 HIS 11 -0.638 -10.686 -7.316
80 H GLN 12 H GLN 12 -2.487 -4.363 -8.545
81 HA GLN 12 HA GLN 12 -2.331 -3.241 -5.848
82 HB2 GLN 12 HB2 GLN 12 -3.023 -1.625 -7.436
83 HB3 GLN 12 HB3 GLN 12 -4.162 -2.737 -8.185
84 HG2 GLN 12 HG2 GLN 12 -5.752 -2.407 -6.592
85 HG3 GLN 12 HG3 GLN 12 -4.573 -2.048 -5.331
86 HE21 GLN 12 HE21 GLN 12 -4.118 0.015 -4.874
87 HE22 GLN 12 HE22 GLN 12 -4.729 1.379 -5.740
88 H MET 13 H MET 13 -3.866 -3.666 -4.259
89 HA MET 13 HA MET 13 -4.820 -6.286 -4.088
90 HB2 MET 13 HB2 MET 13 -6.065 -5.511 -2.104
91 HB3 MET 13 HB3 MET 13 -4.399 -4.947 -2.106
92 HG2 MET 13 HG2 MET 13 -5.365 -2.805 -3.167
93 HG3 MET 13 HG3 MET 13 -6.912 -3.400 -2.570
94 HE1 MET 13 HE1 MET 13 -7.802 -2.712 -0.324
95 HE2 MET 13 HE2 MET 13 -7.087 -4.279 0.055
96 HE3 MET 13 HE3 MET 13 -6.845 -2.912 1.144
97 H LYS 14 H LYS 14 -6.460 -3.290 -5.001
98 HA LYS 14 HA LYS 14 -9.073 -4.263 -5.134
99 HB2 LYS 14 HB2 LYS 14 -8.277 -1.851 -5.321
100 HB3 LYS 14 HB3 LYS 14 -7.927 -2.197 -7.009
101 HG2 LYS 14 HG2 LYS 14 -10.645 -2.774 -5.927
102 HG3 LYS 14 HG3 LYS 14 -10.194 -1.115 -6.327
103 HD2 LYS 14 HD2 LYS 14 -9.361 -2.299 -8.560
104 HD3 LYS 14 HD3 LYS 14 -10.611 -3.459 -8.102
105 HE2 LYS 14 HE2 LYS 14 -12.310 -1.901 -8.302
106 HE3 LYS 14 HE3 LYS 14 -11.219 -0.532 -8.094
107 HZ1 LYS 14 HZ1 LYS 14 -10.339 -0.898 -10.282
108 HZ2 LYS 14 HZ2 LYS 14 -12.023 -0.783 -10.387
109 HZ3 LYS 14 HZ3 LYS 14 -11.271 -2.295 -10.483
110 H ASP 15 H ASP 15 -6.424 -4.468 -7.425
111 HA ASP 15 HA ASP 15 -8.151 -5.776 -9.390
112 HB2 ASP 15 HB2 ASP 15 -6.368 -3.953 -9.923
113 HB3 ASP 15 HB3 ASP 15 -5.216 -5.278 -9.779
114 H CYS 16 H CYS 16 -6.414 -6.657 -6.750
115 HA CYS 16 HA CYS 16 -4.899 -8.860 -7.544
116 HB2 CYS 16 HB2 CYS 16 -4.826 -7.883 -5.280
117 HB3 CYS 16 HB3 CYS 16 -6.445 -8.502 -4.967
118 H THR 17 H THR 17 -5.332 -11.071 -7.654
119 HA THR 17 HA THR 17 -7.620 -11.883 -8.951
120 HB THR 17 HB THR 17 -6.964 -14.153 -8.563
121 HG1 THR 17 HG1 THR 17 -6.409 -14.567 -6.557
122 HG21 THR 17 HG21 THR 17 -4.422 -12.529 -8.567
123 HG22 THR 17 HG22 THR 17 -5.467 -12.719 -9.974
124 HG23 THR 17 HG23 THR 17 -4.675 -14.128 -9.266
125 H GLU 18 H GLU 18 -6.964 -11.833 -5.485
126 HA GLU 18 HA GLU 18 -9.264 -13.254 -4.673
127 HB2 GLU 18 HB2 GLU 18 -7.275 -11.480 -3.355
128 HB3 GLU 18 HB3 GLU 18 -8.801 -11.734 -2.521
129 HG2 GLU 18 HG2 GLU 18 -6.842 -13.849 -3.376
130 HG3 GLU 18 HG3 GLU 18 -7.175 -13.313 -1.730
131 H ARG 19 H ARG 19 -11.150 -12.396 -3.575
132 HA ARG 19 HA ARG 19 -12.432 -10.369 -5.082
133 HB2 ARG 19 HB2 ARG 19 -13.449 -12.377 -3.787
134 HB3 ARG 19 HB3 ARG 19 -13.410 -11.297 -2.400
135 HG2 ARG 19 HG2 ARG 19 -15.512 -10.874 -3.142
136 HG3 ARG 19 HG3 ARG 19 -14.632 -9.670 -4.084
137 HD2 ARG 19 HD2 ARG 19 -16.164 -10.827 -5.531
138 HD3 ARG 19 HD3 ARG 19 -14.516 -11.288 -5.956
139 HE ARG 19 HE ARG 19 -15.035 -13.440 -5.411
140 HH11 ARG 19 HH11 ARG 19 -17.345 -11.319 -3.898
141 HH12 ARG 19 HH12 ARG 19 -18.335 -12.610 -3.301
142 HH21 ARG 19 HH21 ARG 19 -16.330 -15.148 -4.630
143 HH22 ARG 19 HH22 ARG 19 -17.756 -14.787 -3.717
Start of MODEL 7
1 H1 LYS 1 H1 LYS 1 -0.194 -1.916 -5.488
2 HA LYS 1 HA LYS 1 2.351 -0.782 -4.628
3 HB2 LYS 1 HB2 LYS 1 0.047 0.453 -5.133
4 HB3 LYS 1 HB3 LYS 1 -0.243 0.078 -3.439
5 HG2 LYS 1 HG2 LYS 1 0.675 2.222 -3.426
6 HG3 LYS 1 HG3 LYS 1 2.016 1.163 -2.982
7 HD2 LYS 1 HD2 LYS 1 2.999 2.540 -4.555
8 HD3 LYS 1 HD3 LYS 1 2.502 1.164 -5.542
9 HE2 LYS 1 HE2 LYS 1 1.818 3.036 -6.766
10 HE3 LYS 1 HE3 LYS 1 0.351 2.477 -5.966
11 HZ1 LYS 1 HZ1 LYS 1 0.143 4.466 -5.052
12 HZ2 LYS 1 HZ2 LYS 1 1.562 4.996 -5.804
13 HZ3 LYS 1 HZ3 LYS 1 1.631 4.291 -4.268
14 H GLY 2 H GLY 2 1.928 -3.476 -3.905
15 HA2 GLY 2 HA2 GLY 2 2.538 -4.647 -1.975
16 HA3 GLY 2 HA3 GLY 2 2.181 -3.215 -1.021
17 H CYS 3 H CYS 3 0.981 -6.290 -2.196
18 HA CYS 3 HA CYS 3 -1.746 -5.771 -1.776
19 HB2 CYS 3 HB2 CYS 3 -0.331 -7.817 -2.901
20 HB3 CYS 3 HB3 CYS 3 -0.793 -8.550 -1.378
21 H TRP 4 H TRP 4 -2.570 -7.767 -0.068
22 HA TRP 4 HA TRP 4 -1.528 -6.877 2.541
23 HB2 TRP 4 HB2 TRP 4 -3.776 -7.384 3.440
24 HB3 TRP 4 HB3 TRP 4 -3.826 -6.159 2.176
25 HD1 TRP 4 HD1 TRP 4 -4.714 -7.035 -0.291
26 HE1 TRP 4 HE1 TRP 4 -6.466 -8.837 -0.846
27 HE3 TRP 4 HE3 TRP 4 -4.761 -9.524 4.174
28 HZ2 TRP 4 HZ2 TRP 4 -7.705 -11.023 0.439
29 HZ3 TRP 4 HZ3 TRP 4 -6.258 -11.460 4.429
30 HH2 TRP 4 HH2 TRP 4 -7.699 -12.192 2.600
31 H LYS 5 H LYS 5 -2.102 -9.561 0.485
32 HA LYS 5 HA LYS 5 -1.278 -11.383 2.649
33 HB2 LYS 5 HB2 LYS 5 -2.716 -13.082 1.867
34 HB3 LYS 5 HB3 LYS 5 -3.696 -11.622 1.878
35 HG2 LYS 5 HG2 LYS 5 -2.310 -12.651 -0.583
36 HG3 LYS 5 HG3 LYS 5 -3.958 -13.098 -0.134
37 HD2 LYS 5 HD2 LYS 5 -3.959 -10.345 0.070
38 HD3 LYS 5 HD3 LYS 5 -2.952 -10.651 -1.347
39 HE2 LYS 5 HE2 LYS 5 -5.790 -11.529 -0.864
40 HE3 LYS 5 HE3 LYS 5 -5.191 -10.441 -2.115
41 HZ1 LYS 5 HZ1 LYS 5 -5.070 -13.361 -1.976
42 HZ2 LYS 5 HZ2 LYS 5 -3.792 -12.557 -2.739
43 HZ3 LYS 5 HZ3 LYS 5 -5.375 -12.355 -3.302
44 H CYS 6 H CYS 6 -1.065 -10.477 -0.720
45 HA CYS 6 HA CYS 6 0.584 -12.618 -1.574
46 HB2 CYS 6 HB2 CYS 6 0.351 -9.822 -2.708
47 HB3 CYS 6 HB3 CYS 6 1.057 -11.211 -3.528
48 H GLY 7 H GLY 7 2.429 -13.024 -0.500
49 HA2 GLY 7 HA2 GLY 7 4.035 -11.250 0.882
50 HA3 GLY 7 HA3 GLY 7 4.607 -12.755 0.179
51 H LYS 8 H LYS 8 4.104 -12.044 -2.552
52 HA LYS 8 HA LYS 8 6.522 -10.949 -3.295
53 HB2 LYS 8 HB2 LYS 8 5.314 -10.405 -5.492
54 HB3 LYS 8 HB3 LYS 8 5.338 -12.085 -4.971
55 HG2 LYS 8 HG2 LYS 8 3.086 -12.010 -4.283
56 HG3 LYS 8 HG3 LYS 8 3.037 -10.248 -4.381
57 HD2 LYS 8 HD2 LYS 8 3.491 -12.041 -6.761
58 HD3 LYS 8 HD3 LYS 8 1.901 -11.454 -6.270
59 HE2 LYS 8 HE2 LYS 8 4.272 -9.783 -7.094
60 HE3 LYS 8 HE3 LYS 8 2.789 -10.037 -8.014
61 HZ1 LYS 8 HZ1 LYS 8 2.304 -8.062 -7.041
62 HZ2 LYS 8 HZ2 LYS 8 3.259 -8.350 -5.675
63 HZ3 LYS 8 HZ3 LYS 8 1.739 -9.080 -5.813
64 H GLU 9 H GLU 9 3.444 -9.310 -2.727
65 HA GLU 9 HA GLU 9 2.884 -7.105 -2.577
66 HB2 GLU 9 HB2 GLU 9 5.455 -7.438 -1.201
67 HB3 GLU 9 HB3 GLU 9 5.117 -5.782 -1.687
68 HG2 GLU 9 HG2 GLU 9 2.842 -6.110 -0.573
69 HG3 GLU 9 HG3 GLU 9 3.554 -7.544 0.164
70 H GLY 10 H GLY 10 2.610 -6.699 -4.789
71 HA2 GLY 10 HA2 GLY 10 4.633 -4.897 -5.896
72 HA3 GLY 10 HA3 GLY 10 4.184 -6.299 -6.856
73 H HIS 11 H HIS 11 1.485 -6.443 -6.495
74 HA HIS 11 HA HIS 11 0.601 -4.039 -7.909
75 HB2 HIS 11 HB2 HIS 11 -1.398 -5.427 -8.487
76 HB3 HIS 11 HB3 HIS 11 0.125 -6.099 -9.061
77 HD1 HIS 11 HD1 HIS 11 0.724 -8.415 -8.290
78 HD2 HIS 11 HD2 HIS 11 -2.499 -6.817 -6.212
79 HE1 HIS 11 HE1 HIS 11 -0.191 -10.307 -6.909
80 H GLN 12 H GLN 12 -2.019 -3.890 -7.479
81 HA GLN 12 HA GLN 12 -2.169 -3.146 -4.653
82 HB2 GLN 12 HB2 GLN 12 -2.719 -1.329 -6.067
83 HB3 GLN 12 HB3 GLN 12 -3.744 -2.330 -7.086
84 HG2 GLN 12 HG2 GLN 12 -5.512 -2.216 -5.668
85 HG3 GLN 12 HG3 GLN 12 -4.496 -2.069 -4.235
86 HE21 GLN 12 HE21 GLN 12 -4.900 -0.224 -3.263
87 HE22 GLN 12 HE22 GLN 12 -5.113 1.309 -4.029
88 H MET 13 H MET 13 -3.813 -3.822 -3.295
89 HA MET 13 HA MET 13 -4.746 -6.431 -3.583
90 HB2 MET 13 HB2 MET 13 -6.213 -5.933 -1.663
91 HB3 MET 13 HB3 MET 13 -4.569 -5.364 -1.408
92 HG2 MET 13 HG2 MET 13 -5.359 -3.096 -2.153
93 HG3 MET 13 HG3 MET 13 -6.999 -3.735 -2.080
94 HE1 MET 13 HE1 MET 13 -7.005 -1.360 -0.477
95 HE2 MET 13 HE2 MET 13 -8.246 -2.589 -0.230
96 HE3 MET 13 HE3 MET 13 -7.443 -1.855 1.159
97 H LYS 14 H LYS 14 -6.341 -3.351 -4.269
98 HA LYS 14 HA LYS 14 -8.905 -4.308 -4.809
99 HB2 LYS 14 HB2 LYS 14 -8.051 -1.880 -4.631
100 HB3 LYS 14 HB3 LYS 14 -7.659 -2.037 -6.339
101 HG2 LYS 14 HG2 LYS 14 -10.403 -2.745 -5.441
102 HG3 LYS 14 HG3 LYS 14 -9.955 -1.042 -5.551
103 HD2 LYS 14 HD2 LYS 14 -9.226 -2.734 -7.859
104 HD3 LYS 14 HD3 LYS 14 -10.952 -2.456 -7.612
105 HE2 LYS 14 HE2 LYS 14 -8.953 -0.213 -7.617
106 HE3 LYS 14 HE3 LYS 14 -9.695 -0.807 -9.101
107 HZ1 LYS 14 HZ1 LYS 14 -11.769 -0.072 -8.461
108 HZ2 LYS 14 HZ2 LYS 14 -10.772 1.156 -7.862
109 HZ3 LYS 14 HZ3 LYS 14 -11.380 -0.026 -6.815
110 H ASP 15 H ASP 15 -6.025 -4.208 -6.812
111 HA ASP 15 HA ASP 15 -7.515 -5.287 -9.089
112 HB2 ASP 15 HB2 ASP 15 -5.785 -3.373 -9.257
113 HB3 ASP 15 HB3 ASP 15 -4.576 -4.643 -9.087
114 H CYS 16 H CYS 16 -6.169 -6.511 -6.416
115 HA CYS 16 HA CYS 16 -4.464 -8.557 -7.327
116 HB2 CYS 16 HB2 CYS 16 -4.609 -7.859 -4.966
117 HB3 CYS 16 HB3 CYS 16 -6.237 -8.526 -4.875
118 H THR 17 H THR 17 -4.837 -10.745 -7.732
119 HA THR 17 HA THR 17 -6.980 -11.424 -9.320
120 HB THR 17 HB THR 17 -6.317 -13.719 -9.132
121 HG1 THR 17 HG1 THR 17 -5.136 -14.488 -7.422
122 HG21 THR 17 HG21 THR 17 -3.822 -12.071 -8.730
123 HG22 THR 17 HG22 THR 17 -4.734 -12.123 -10.238
124 HG23 THR 17 HG23 THR 17 -3.973 -13.588 -9.617
125 H GLU 18 H GLU 18 -6.644 -11.776 -5.826
126 HA GLU 18 HA GLU 18 -8.971 -13.308 -5.395
127 HB2 GLU 18 HB2 GLU 18 -7.149 -11.674 -3.715
128 HB3 GLU 18 HB3 GLU 18 -8.746 -12.008 -3.058
129 HG2 GLU 18 HG2 GLU 18 -6.701 -14.031 -3.937
130 HG3 GLU 18 HG3 GLU 18 -7.184 -13.660 -2.283
131 H ARG 19 H ARG 19 -10.989 -12.631 -4.453
132 HA ARG 19 HA ARG 19 -12.263 -10.584 -5.851
133 HB2 ARG 19 HB2 ARG 19 -13.185 -12.627 -4.448
134 HB3 ARG 19 HB3 ARG 19 -13.304 -11.415 -3.179
135 HG2 ARG 19 HG2 ARG 19 -14.944 -10.237 -4.264
136 HG3 ARG 19 HG3 ARG 19 -14.452 -10.813 -5.858
137 HD2 ARG 19 HD2 ARG 19 -15.328 -13.030 -5.334
138 HD3 ARG 19 HD3 ARG 19 -15.795 -12.473 -3.728
139 HE ARG 19 HE ARG 19 -17.065 -10.764 -5.429
140 HH11 ARG 19 HH11 ARG 19 -16.963 -14.223 -5.049
141 HH12 ARG 19 HH12 ARG 19 -18.575 -14.466 -5.636
142 HH21 ARG 19 HH21 ARG 19 -19.188 -11.071 -6.204
143 HH22 ARG 19 HH22 ARG 19 -19.840 -12.673 -6.294
Start of MODEL 8
1 H1 LYS 1 H1 LYS 1 -0.715 0.550 -4.424
2 HA LYS 1 HA LYS 1 0.775 -1.723 -5.565
3 HB2 LYS 1 HB2 LYS 1 1.889 0.395 -6.074
4 HB3 LYS 1 HB3 LYS 1 1.885 0.823 -4.368
5 HG2 LYS 1 HG2 LYS 1 3.435 -0.900 -3.846
6 HG3 LYS 1 HG3 LYS 1 3.286 -1.604 -5.458
7 HD2 LYS 1 HD2 LYS 1 4.572 0.028 -6.438
8 HD3 LYS 1 HD3 LYS 1 4.171 1.231 -5.209
9 HE2 LYS 1 HE2 LYS 1 5.572 0.027 -3.593
10 HE3 LYS 1 HE3 LYS 1 5.982 -1.155 -4.835
11 HZ1 LYS 1 HZ1 LYS 1 6.572 1.251 -5.977
12 HZ2 LYS 1 HZ2 LYS 1 7.686 0.170 -5.304
13 HZ3 LYS 1 HZ3 LYS 1 7.077 1.445 -4.374
14 H GLY 2 H GLY 2 1.765 -3.144 -4.151
15 HA2 GLY 2 HA2 GLY 2 2.271 -4.166 -2.143
16 HA3 GLY 2 HA3 GLY 2 1.873 -2.661 -1.327
17 H CYS 3 H CYS 3 0.745 -5.862 -2.240
18 HA CYS 3 HA CYS 3 -1.986 -5.368 -1.774
19 HB2 CYS 3 HB2 CYS 3 -0.568 -7.442 -2.843
20 HB3 CYS 3 HB3 CYS 3 -0.968 -8.105 -1.271
21 H TRP 4 H TRP 4 -2.708 -7.296 0.058
22 HA TRP 4 HA TRP 4 -1.604 -6.252 2.583
23 HB2 TRP 4 HB2 TRP 4 -3.808 -6.764 3.582
24 HB3 TRP 4 HB3 TRP 4 -3.928 -5.606 2.261
25 HD1 TRP 4 HD1 TRP 4 -4.871 -6.628 -0.130
26 HE1 TRP 4 HE1 TRP 4 -6.598 -8.493 -0.535
27 HE3 TRP 4 HE3 TRP 4 -4.721 -8.882 4.456
28 HZ2 TRP 4 HZ2 TRP 4 -7.745 -10.636 0.900
29 HZ3 TRP 4 HZ3 TRP 4 -6.165 -10.834 4.858
30 HH2 TRP 4 HH2 TRP 4 -7.645 -11.690 3.116
31 H LYS 5 H LYS 5 -2.189 -9.051 0.686
32 HA LYS 5 HA LYS 5 -1.248 -10.742 2.908
33 HB2 LYS 5 HB2 LYS 5 -2.670 -12.509 2.263
34 HB3 LYS 5 HB3 LYS 5 -3.684 -11.071 2.231
35 HG2 LYS 5 HG2 LYS 5 -2.352 -12.197 -0.218
36 HG3 LYS 5 HG3 LYS 5 -3.973 -12.658 0.307
37 HD2 LYS 5 HD2 LYS 5 -4.034 -9.898 0.368
38 HD3 LYS 5 HD3 LYS 5 -3.067 -10.257 -1.064
39 HE2 LYS 5 HE2 LYS 5 -5.867 -11.167 -0.439
40 HE3 LYS 5 HE3 LYS 5 -5.333 -10.138 -1.767
41 HZ1 LYS 5 HZ1 LYS 5 -3.908 -12.257 -2.320
42 HZ2 LYS 5 HZ2 LYS 5 -5.510 -12.117 -2.842
43 HZ3 LYS 5 HZ3 LYS 5 -5.145 -13.043 -1.475
44 H CYS 6 H CYS 6 -1.168 -10.005 -0.508
45 HA CYS 6 HA CYS 6 0.497 -12.149 -1.315
46 HB2 CYS 6 HB2 CYS 6 0.173 -9.412 -2.565
47 HB3 CYS 6 HB3 CYS 6 0.884 -10.822 -3.344
48 H GLY 7 H GLY 7 2.392 -12.477 -0.309
49 HA2 GLY 7 HA2 GLY 7 4.005 -10.628 0.958
50 HA3 GLY 7 HA3 GLY 7 4.587 -12.139 0.278
51 H LYS 8 H LYS 8 3.991 -11.541 -2.449
52 HA LYS 8 HA LYS 8 6.349 -10.393 -3.302
53 HB2 LYS 8 HB2 LYS 8 5.061 -9.975 -5.482
54 HB3 LYS 8 HB3 LYS 8 5.160 -11.632 -4.901
55 HG2 LYS 8 HG2 LYS 8 2.926 -11.602 -4.140
56 HG3 LYS 8 HG3 LYS 8 2.811 -9.851 -4.324
57 HD2 LYS 8 HD2 LYS 8 3.270 -11.741 -6.626
58 HD3 LYS 8 HD3 LYS 8 1.670 -11.195 -6.117
59 HE2 LYS 8 HE2 LYS 8 3.947 -9.465 -7.076
60 HE3 LYS 8 HE3 LYS 8 2.466 -9.836 -7.957
61 HZ1 LYS 8 HZ1 LYS 8 1.901 -7.838 -7.076
62 HZ2 LYS 8 HZ2 LYS 8 2.887 -8.012 -5.712
63 HZ3 LYS 8 HZ3 LYS 8 1.402 -8.819 -5.791
64 H GLU 9 H GLU 9 3.229 -8.840 -2.713
65 HA GLU 9 HA GLU 9 2.596 -6.653 -2.623
66 HB2 GLU 9 HB2 GLU 9 5.197 -6.859 -1.297
67 HB3 GLU 9 HB3 GLU 9 4.836 -5.235 -1.867
68 HG2 GLU 9 HG2 GLU 9 2.568 -5.561 -0.698
69 HG3 GLU 9 HG3 GLU 9 3.363 -6.896 0.135
70 H GLY 10 H GLY 10 2.235 -6.330 -4.833
71 HA2 GLY 10 HA2 GLY 10 4.165 -4.513 -6.077
72 HA3 GLY 10 HA3 GLY 10 3.723 -5.962 -6.968
73 H HIS 11 H HIS 11 1.072 -6.201 -6.609
74 HA HIS 11 HA HIS 11 0.062 -3.873 -8.049
75 HB2 HIS 11 HB2 HIS 11 -1.918 -5.338 -8.491
76 HB3 HIS 11 HB3 HIS 11 -0.397 -5.997 -9.088
77 HD1 HIS 11 HD1 HIS 11 0.284 -8.261 -8.241
78 HD2 HIS 11 HD2 HIS 11 -2.894 -6.644 -6.108
79 HE1 HIS 11 HE1 HIS 11 -0.529 -10.109 -6.741
80 H GLN 12 H GLN 12 -2.545 -3.770 -7.534
81 HA GLN 12 HA GLN 12 -2.618 -2.895 -4.744
82 HB2 GLN 12 HB2 GLN 12 -3.268 -1.167 -6.227
83 HB3 GLN 12 HB3 GLN 12 -4.305 -2.245 -7.152
84 HG2 GLN 12 HG2 GLN 12 -6.017 -2.108 -5.666
85 HG3 GLN 12 HG3 GLN 12 -4.948 -1.850 -4.288
86 HE21 GLN 12 HE21 GLN 12 -7.190 -0.348 -4.540
87 HE22 GLN 12 HE22 GLN 12 -6.777 1.280 -4.942
88 H MET 13 H MET 13 -4.194 -3.549 -3.296
89 HA MET 13 HA MET 13 -5.058 -6.192 -3.418
90 HB2 MET 13 HB2 MET 13 -6.478 -5.638 -1.479
91 HB3 MET 13 HB3 MET 13 -4.846 -5.005 -1.309
92 HG2 MET 13 HG2 MET 13 -5.774 -2.812 -2.196
93 HG3 MET 13 HG3 MET 13 -7.369 -3.509 -1.927
94 HE1 MET 13 HE1 MET 13 -6.764 -5.136 1.124
95 HE2 MET 13 HE2 MET 13 -7.781 -3.844 1.761
96 HE3 MET 13 HE3 MET 13 -8.113 -4.524 0.167
97 H LYS 14 H LYS 14 -6.767 -3.201 -4.213
98 HA LYS 14 HA LYS 14 -9.316 -4.262 -4.619
99 HB2 LYS 14 HB2 LYS 14 -8.490 -1.798 -4.611
100 HB3 LYS 14 HB3 LYS 14 -8.225 -2.048 -6.332
101 HG2 LYS 14 HG2 LYS 14 -10.874 -2.772 -5.196
102 HG3 LYS 14 HG3 LYS 14 -10.484 -1.064 -5.411
103 HD2 LYS 14 HD2 LYS 14 -10.249 -1.291 -7.729
104 HD3 LYS 14 HD3 LYS 14 -10.090 -3.046 -7.630
105 HE2 LYS 14 HE2 LYS 14 -12.604 -1.565 -6.886
106 HE3 LYS 14 HE3 LYS 14 -12.295 -2.194 -8.504
107 HZ1 LYS 14 HZ1 LYS 14 -12.539 -4.333 -7.822
108 HZ2 LYS 14 HZ2 LYS 14 -13.576 -3.594 -6.709
109 HZ3 LYS 14 HZ3 LYS 14 -12.009 -4.029 -6.244
110 H ASP 15 H ASP 15 -6.508 -4.160 -6.727
111 HA ASP 15 HA ASP 15 -8.027 -5.393 -8.901
112 HB2 ASP 15 HB2 ASP 15 -5.102 -4.702 -9.010
113 HB3 ASP 15 HB3 ASP 15 -6.255 -4.826 -10.335
114 H CYS 16 H CYS 16 -6.517 -6.431 -6.209
115 HA CYS 16 HA CYS 16 -4.822 -8.495 -7.066
116 HB2 CYS 16 HB2 CYS 16 -4.922 -7.683 -4.738
117 HB3 CYS 16 HB3 CYS 16 -6.528 -8.384 -4.570
118 H THR 17 H THR 17 -5.154 -10.706 -7.357
119 HA THR 17 HA THR 17 -7.327 -11.507 -8.846
120 HB THR 17 HB THR 17 -6.601 -13.774 -8.576
121 HG1 THR 17 HG1 THR 17 -5.884 -14.444 -6.708
122 HG21 THR 17 HG21 THR 17 -4.277 -13.611 -9.138
123 HG22 THR 17 HG22 THR 17 -4.136 -12.052 -8.326
124 HG23 THR 17 HG23 THR 17 -5.092 -12.195 -9.801
125 H GLU 18 H GLU 18 -6.868 -11.710 -5.351
126 HA GLU 18 HA GLU 18 -9.145 -13.268 -4.778
127 HB2 GLU 18 HB2 GLU 18 -7.318 -11.511 -3.230
128 HB3 GLU 18 HB3 GLU 18 -8.881 -11.866 -2.508
129 HG2 GLU 18 HG2 GLU 18 -6.803 -13.863 -3.372
130 HG3 GLU 18 HG3 GLU 18 -7.239 -13.435 -1.719
131 H ARG 19 H ARG 19 -11.208 -12.690 -4.068
132 HA ARG 19 HA ARG 19 -12.163 -10.158 -5.145
133 HB2 ARG 19 HB2 ARG 19 -13.537 -12.661 -4.187
134 HB3 ARG 19 HB3 ARG 19 -14.432 -11.188 -4.536
135 HG2 ARG 19 HG2 ARG 19 -12.580 -12.234 -6.611
136 HG3 ARG 19 HG3 ARG 19 -14.111 -13.071 -6.344
137 HD2 ARG 19 HD2 ARG 19 -15.200 -10.770 -6.537
138 HD3 ARG 19 HD3 ARG 19 -13.654 -10.224 -7.185
139 HE ARG 19 HE ARG 19 -14.204 -11.217 -9.160
140 HH11 ARG 19 HH11 ARG 19 -16.099 -12.669 -6.626
141 HH12 ARG 19 HH12 ARG 19 -17.032 -13.650 -7.708
142 HH21 ARG 19 HH21 ARG 19 -15.425 -12.504 -10.594
143 HH22 ARG 19 HH22 ARG 19 -16.647 -13.556 -9.964
Start of MODEL 9
1 H1 LYS 1 H1 LYS 1 -0.391 -1.154 -5.303
2 HA LYS 1 HA LYS 1 2.432 -1.463 -4.975
3 HB2 LYS 1 HB2 LYS 1 0.622 0.510 -3.577
4 HB3 LYS 1 HB3 LYS 1 2.358 0.651 -3.824
5 HG2 LYS 1 HG2 LYS 1 2.086 0.993 -6.156
6 HG3 LYS 1 HG3 LYS 1 0.377 0.557 -6.083
7 HD2 LYS 1 HD2 LYS 1 -0.019 2.532 -4.641
8 HD3 LYS 1 HD3 LYS 1 1.675 2.984 -4.846
9 HE2 LYS 1 HE2 LYS 1 1.392 3.554 -7.061
10 HE3 LYS 1 HE3 LYS 1 -0.013 2.508 -7.260
11 HZ1 LYS 1 HZ1 LYS 1 0.122 5.162 -5.962
12 HZ2 LYS 1 HZ2 LYS 1 -1.173 4.108 -5.697
13 HZ3 LYS 1 HZ3 LYS 1 -0.851 4.675 -7.258
14 H GLY 2 H GLY 2 2.005 -3.669 -3.911
15 HA2 GLY 2 HA2 GLY 2 2.658 -4.758 -1.939
16 HA3 GLY 2 HA3 GLY 2 2.332 -3.283 -1.042
17 H CYS 3 H CYS 3 1.036 -6.360 -2.162
18 HA CYS 3 HA CYS 3 -1.661 -5.780 -1.680
19 HB2 CYS 3 HB2 CYS 3 -0.314 -7.876 -2.795
20 HB3 CYS 3 HB3 CYS 3 -0.765 -8.572 -1.250
21 H TRP 4 H TRP 4 -2.500 -7.718 0.080
22 HA TRP 4 HA TRP 4 -1.379 -6.815 2.651
23 HB2 TRP 4 HB2 TRP 4 -3.622 -7.241 3.605
24 HB3 TRP 4 HB3 TRP 4 -3.660 -6.032 2.325
25 HD1 TRP 4 HD1 TRP 4 -4.622 -6.916 -0.113
26 HE1 TRP 4 HE1 TRP 4 -6.441 -8.668 -0.608
27 HE3 TRP 4 HE3 TRP 4 -4.663 -9.336 4.390
28 HZ2 TRP 4 HZ2 TRP 4 -7.725 -10.794 0.734
29 HZ3 TRP 4 HZ3 TRP 4 -6.216 -11.218 4.703
30 HH2 TRP 4 HH2 TRP 4 -7.715 -11.930 2.912
31 H LYS 5 H LYS 5 -2.095 -9.516 0.659
32 HA LYS 5 HA LYS 5 -1.282 -11.326 2.837
33 HB2 LYS 5 HB2 LYS 5 -2.780 -12.994 2.101
34 HB3 LYS 5 HB3 LYS 5 -3.716 -11.505 2.105
35 HG2 LYS 5 HG2 LYS 5 -2.397 -12.606 -0.361
36 HG3 LYS 5 HG3 LYS 5 -4.048 -13.007 0.119
37 HD2 LYS 5 HD2 LYS 5 -3.972 -10.249 0.284
38 HD3 LYS 5 HD3 LYS 5 -3.004 -10.606 -1.149
39 HE2 LYS 5 HE2 LYS 5 -5.854 -11.398 -0.590
40 HE3 LYS 5 HE3 LYS 5 -5.254 -10.345 -1.870
41 HZ1 LYS 5 HZ1 LYS 5 -3.925 -12.513 -2.485
42 HZ2 LYS 5 HZ2 LYS 5 -5.506 -12.265 -3.030
43 HZ3 LYS 5 HZ3 LYS 5 -5.219 -13.264 -1.695
44 H CYS 6 H CYS 6 -1.083 -10.474 -0.545
45 HA CYS 6 HA CYS 6 0.496 -12.680 -1.378
46 HB2 CYS 6 HB2 CYS 6 0.307 -9.909 -2.580
47 HB3 CYS 6 HB3 CYS 6 0.960 -11.336 -3.377
48 H GLY 7 H GLY 7 2.346 -13.095 -0.314
49 HA2 GLY 7 HA2 GLY 7 4.013 -11.321 0.991
50 HA3 GLY 7 HA3 GLY 7 4.542 -12.856 0.318
51 H LYS 8 H LYS 8 3.999 -12.197 -2.422
52 HA LYS 8 HA LYS 8 6.429 -11.181 -3.237
53 HB2 LYS 8 HB2 LYS 8 5.188 -10.654 -5.422
54 HB3 LYS 8 HB3 LYS 8 5.187 -12.323 -4.865
55 HG2 LYS 8 HG2 LYS 8 2.952 -12.179 -4.128
56 HG3 LYS 8 HG3 LYS 8 2.939 -10.420 -4.276
57 HD2 LYS 8 HD2 LYS 8 3.296 -12.298 -6.607
58 HD3 LYS 8 HD3 LYS 8 1.736 -11.641 -6.105
59 HE2 LYS 8 HE2 LYS 8 4.145 -10.084 -7.036
60 HE3 LYS 8 HE3 LYS 8 2.632 -10.311 -7.910
61 HZ1 LYS 8 HZ1 LYS 8 2.236 -8.293 -6.991
62 HZ2 LYS 8 HZ2 LYS 8 3.226 -8.564 -5.647
63 HZ3 LYS 8 HZ3 LYS 8 1.680 -9.247 -5.710
64 H GLU 9 H GLU 9 3.402 -9.451 -2.657
65 HA GLU 9 HA GLU 9 2.900 -7.230 -2.549
66 HB2 GLU 9 HB2 GLU 9 5.480 -7.599 -1.202
67 HB3 GLU 9 HB3 GLU 9 5.181 -5.947 -1.724
68 HG2 GLU 9 HG2 GLU 9 2.904 -6.208 -0.575
69 HG3 GLU 9 HG3 GLU 9 3.620 -7.616 0.207
70 H GLY 10 H GLY 10 2.600 -6.861 -4.762
71 HA2 GLY 10 HA2 GLY 10 4.647 -5.133 -5.940
72 HA3 GLY 10 HA3 GLY 10 4.159 -6.549 -6.860
73 H HIS 11 H HIS 11 1.468 -6.638 -6.483
74 HA HIS 11 HA HIS 11 0.612 -4.257 -7.948
75 HB2 HIS 11 HB2 HIS 11 -1.430 -5.619 -8.441
76 HB3 HIS 11 HB3 HIS 11 0.068 -6.337 -9.027
77 HD1 HIS 11 HD1 HIS 11 0.623 -8.647 -8.220
78 HD2 HIS 11 HD2 HIS 11 -2.491 -6.914 -6.084
79 HE1 HIS 11 HE1 HIS 11 -0.292 -10.479 -6.760
80 H GLN 12 H GLN 12 -1.995 -4.028 -7.484
81 HA GLN 12 HA GLN 12 -2.080 -3.171 -4.691
82 HB2 GLN 12 HB2 GLN 12 -2.645 -1.414 -6.171
83 HB3 GLN 12 HB3 GLN 12 -3.700 -2.449 -7.124
84 HG2 GLN 12 HG2 GLN 12 -5.436 -2.256 -5.675
85 HG3 GLN 12 HG3 GLN 12 -4.389 -2.051 -4.272
86 HE21 GLN 12 HE21 GLN 12 -3.885 -0.045 -3.593
87 HE22 GLN 12 HE22 GLN 12 -4.441 1.408 -4.344
88 H MET 13 H MET 13 -3.703 -3.763 -3.267
89 HA MET 13 HA MET 13 -4.681 -6.375 -3.444
90 HB2 MET 13 HB2 MET 13 -6.085 -5.768 -1.485
91 HB3 MET 13 HB3 MET 13 -4.398 -5.310 -1.299
92 HG2 MET 13 HG2 MET 13 -5.220 -3.343 -0.651
93 HG3 MET 13 HG3 MET 13 -5.445 -3.051 -2.374
94 HE1 MET 13 HE1 MET 13 -7.088 -4.689 0.748
95 HE2 MET 13 HE2 MET 13 -7.171 -2.946 1.006
96 HE3 MET 13 HE3 MET 13 -8.653 -3.875 0.775
97 H LYS 14 H LYS 14 -6.236 -3.277 -4.138
98 HA LYS 14 HA LYS 14 -8.842 -4.191 -4.541
99 HB2 LYS 14 HB2 LYS 14 -8.048 -1.789 -4.417
100 HB3 LYS 14 HB3 LYS 14 -7.533 -1.955 -6.090
101 HG2 LYS 14 HG2 LYS 14 -10.348 -2.589 -5.320
102 HG3 LYS 14 HG3 LYS 14 -9.841 -0.915 -5.557
103 HD2 LYS 14 HD2 LYS 14 -8.806 -2.068 -7.774
104 HD3 LYS 14 HD3 LYS 14 -10.233 -3.076 -7.521
105 HE2 LYS 14 HE2 LYS 14 -10.277 -0.063 -7.607
106 HE3 LYS 14 HE3 LYS 14 -10.611 -1.096 -8.996
107 HZ1 LYS 14 HZ1 LYS 14 -12.503 -0.204 -7.386
108 HZ2 LYS 14 HZ2 LYS 14 -12.129 -1.637 -6.570
109 HZ3 LYS 14 HZ3 LYS 14 -12.619 -1.689 -8.188
110 H ASP 15 H ASP 15 -6.050 -4.196 -6.667
111 HA ASP 15 HA ASP 15 -7.654 -5.267 -8.866
112 HB2 ASP 15 HB2 ASP 15 -5.827 -3.433 -9.098
113 HB3 ASP 15 HB3 ASP 15 -4.693 -4.776 -8.993
114 H CYS 16 H CYS 16 -6.088 -6.441 -6.225
115 HA CYS 16 HA CYS 16 -4.561 -8.583 -7.145
116 HB2 CYS 16 HB2 CYS 16 -4.615 -7.842 -4.793
117 HB3 CYS 16 HB3 CYS 16 -6.258 -8.456 -4.643
118 H THR 17 H THR 17 -5.015 -10.760 -7.512
119 HA THR 17 HA THR 17 -7.221 -11.398 -9.023
120 HB THR 17 HB THR 17 -5.401 -12.888 -9.151
121 HG1 THR 17 HG1 THR 17 -6.691 -14.551 -9.286
122 HG21 THR 17 HG21 THR 17 -5.698 -13.234 -6.169
123 HG22 THR 17 HG22 THR 17 -4.339 -12.519 -7.035
124 HG23 THR 17 HG23 THR 17 -4.665 -14.247 -7.177
125 H GLU 18 H GLU 18 -6.816 -11.661 -5.533
126 HA GLU 18 HA GLU 18 -9.169 -13.122 -5.002
127 HB2 GLU 18 HB2 GLU 18 -7.254 -11.504 -3.423
128 HB3 GLU 18 HB3 GLU 18 -8.849 -11.724 -2.720
129 HG2 GLU 18 HG2 GLU 18 -8.442 -14.235 -3.267
130 HG3 GLU 18 HG3 GLU 18 -6.748 -13.751 -3.317
131 H ARG 19 H ARG 19 -11.137 -12.351 -4.000
132 HA ARG 19 HA ARG 19 -12.051 -9.878 -5.248
133 HB2 ARG 19 HB2 ARG 19 -13.419 -12.258 -4.041
134 HB3 ARG 19 HB3 ARG 19 -14.302 -10.753 -4.257
135 HG2 ARG 19 HG2 ARG 19 -13.748 -10.813 -6.662
136 HG3 ARG 19 HG3 ARG 19 -12.968 -12.377 -6.412
137 HD2 ARG 19 HD2 ARG 19 -14.964 -13.461 -6.024
138 HD3 ARG 19 HD3 ARG 19 -15.782 -11.988 -5.504
139 HE ARG 19 HE ARG 19 -15.636 -13.019 -8.157
140 HH11 ARG 19 HH11 ARG 19 -15.804 -10.076 -6.304
141 HH12 ARG 19 HH12 ARG 19 -16.546 -9.163 -7.576
142 HH21 ARG 19 HH21 ARG 19 -16.613 -11.827 -9.840
143 HH22 ARG 19 HH22 ARG 19 -17.006 -10.161 -9.586
Start of MODEL 10
1 H1 LYS 1 H1 LYS 1 5.925 -1.069 -1.206
2 HA LYS 1 HA LYS 1 4.591 -3.555 -0.488
3 HB2 LYS 1 HB2 LYS 1 4.197 -0.671 0.130
4 HB3 LYS 1 HB3 LYS 1 2.777 -1.708 0.171
5 HG2 LYS 1 HG2 LYS 1 3.547 -1.711 2.364
6 HG3 LYS 1 HG3 LYS 1 4.158 -3.227 1.697
7 HD2 LYS 1 HD2 LYS 1 5.910 -0.851 1.452
8 HD3 LYS 1 HD3 LYS 1 5.691 -1.517 3.072
9 HE2 LYS 1 HE2 LYS 1 6.244 -3.454 0.908
10 HE3 LYS 1 HE3 LYS 1 7.568 -2.380 1.356
11 HZ1 LYS 1 HZ1 LYS 1 7.303 -3.100 3.660
12 HZ2 LYS 1 HZ2 LYS 1 7.647 -4.406 2.642
13 HZ3 LYS 1 HZ3 LYS 1 6.068 -4.162 3.200
14 H GLY 2 H GLY 2 2.485 -4.108 -1.232
15 HA2 GLY 2 HA2 GLY 2 1.541 -2.698 -3.625
16 HA3 GLY 2 HA3 GLY 2 1.918 -4.409 -3.762
17 H CYS 3 H CYS 3 0.487 -5.996 -2.900
18 HA CYS 3 HA CYS 3 -2.165 -5.034 -2.586
19 HB2 CYS 3 HB2 CYS 3 -1.084 -7.387 -3.467
20 HB3 CYS 3 HB3 CYS 3 -1.599 -7.847 -1.856
21 H TRP 4 H TRP 4 -3.134 -6.739 -0.611
22 HA TRP 4 HA TRP 4 -1.860 -5.700 1.836
23 HB2 TRP 4 HB2 TRP 4 -4.130 -5.734 2.853
24 HB3 TRP 4 HB3 TRP 4 -4.001 -4.624 1.492
25 HD1 TRP 4 HD1 TRP 4 -5.075 -5.572 -0.896
26 HE1 TRP 4 HE1 TRP 4 -7.164 -7.033 -1.253
27 HE3 TRP 4 HE3 TRP 4 -5.527 -7.507 3.814
28 HZ2 TRP 4 HZ2 TRP 4 -8.788 -8.775 0.262
29 HZ3 TRP 4 HZ3 TRP 4 -7.376 -9.063 4.278
30 HH2 TRP 4 HH2 TRP 4 -8.972 -9.682 2.537
31 H LYS 5 H LYS 5 -2.963 -8.456 0.130
32 HA LYS 5 HA LYS 5 -2.389 -10.137 2.481
33 HB2 LYS 5 HB2 LYS 5 -4.115 -11.636 1.926
34 HB3 LYS 5 HB3 LYS 5 -4.834 -10.041 1.741
35 HG2 LYS 5 HG2 LYS 5 -3.693 -11.617 -0.552
36 HG3 LYS 5 HG3 LYS 5 -5.387 -11.688 -0.061
37 HD2 LYS 5 HD2 LYS 5 -4.817 -8.970 -0.238
38 HD3 LYS 5 HD3 LYS 5 -3.999 -9.689 -1.627
39 HE2 LYS 5 HE2 LYS 5 -6.916 -9.848 -0.904
40 HE3 LYS 5 HE3 LYS 5 -6.192 -9.113 -2.334
41 HZ1 LYS 5 HZ1 LYS 5 -6.860 -11.093 -3.193
42 HZ2 LYS 5 HZ2 LYS 5 -6.678 -11.936 -1.738
43 HZ3 LYS 5 HZ3 LYS 5 -5.318 -11.551 -2.668
44 H CYS 6 H CYS 6 -2.138 -9.683 -0.980
45 HA CYS 6 HA CYS 6 -0.959 -12.127 -1.676
46 HB2 CYS 6 HB2 CYS 6 -0.599 -9.385 -2.900
47 HB3 CYS 6 HB3 CYS 6 -0.054 -10.886 -3.641
48 H GLY 7 H GLY 7 0.751 -9.009 -1.344
49 HA2 GLY 7 HA2 GLY 7 2.697 -8.654 -0.040
50 HA3 GLY 7 HA3 GLY 7 2.921 -10.395 0.054
51 H LYS 8 H LYS 8 2.565 -10.816 -2.802
52 HA LYS 8 HA LYS 8 5.183 -10.753 -3.668
53 HB2 LYS 8 HB2 LYS 8 4.143 -10.902 -6.010
54 HB3 LYS 8 HB3 LYS 8 3.736 -12.165 -4.855
55 HG2 LYS 8 HG2 LYS 8 1.568 -11.502 -4.678
56 HG3 LYS 8 HG3 LYS 8 1.942 -9.809 -5.007
57 HD2 LYS 8 HD2 LYS 8 2.306 -11.843 -7.164
58 HD3 LYS 8 HD3 LYS 8 0.684 -11.257 -6.788
59 HE2 LYS 8 HE2 LYS 8 3.055 -9.542 -7.525
60 HE3 LYS 8 HE3 LYS 8 1.721 -9.968 -8.596
61 HZ1 LYS 8 HZ1 LYS 8 0.876 -8.040 -7.869
62 HZ2 LYS 8 HZ2 LYS 8 1.831 -8.004 -6.474
63 HZ3 LYS 8 HZ3 LYS 8 0.416 -8.930 -6.506
64 H GLU 9 H GLU 9 2.778 -8.240 -3.771
65 HA GLU 9 HA GLU 9 2.858 -6.050 -4.380
66 HB2 GLU 9 HB2 GLU 9 5.840 -6.510 -4.180
67 HB3 GLU 9 HB3 GLU 9 5.073 -4.934 -4.312
68 HG2 GLU 9 HG2 GLU 9 4.569 -4.873 -2.145
69 HG3 GLU 9 HG3 GLU 9 3.996 -6.540 -2.140
70 H GLY 10 H GLY 10 2.012 -6.004 -6.403
71 HA2 GLY 10 HA2 GLY 10 3.815 -5.515 -8.585
72 HA3 GLY 10 HA3 GLY 10 2.966 -7.046 -8.741
73 H HIS 11 H HIS 11 0.509 -6.202 -7.559
74 HA HIS 11 HA HIS 11 -0.422 -4.245 -9.555
75 HB2 HIS 11 HB2 HIS 11 -2.567 -5.517 -9.619
76 HB3 HIS 11 HB3 HIS 11 -1.192 -6.428 -10.237
77 HD1 HIS 11 HD1 HIS 11 -0.858 -8.689 -9.264
78 HD2 HIS 11 HD2 HIS 11 -3.259 -6.296 -6.863
79 HE1 HIS 11 HE1 HIS 11 -1.667 -10.189 -7.415
80 H GLN 12 H GLN 12 -2.936 -3.789 -8.812
81 HA GLN 12 HA GLN 12 -2.621 -2.601 -6.152
82 HB2 GLN 12 HB2 GLN 12 -3.180 -0.972 -7.789
83 HB3 GLN 12 HB3 GLN 12 -4.449 -1.982 -8.467
84 HG2 GLN 12 HG2 GLN 12 -5.937 -1.475 -6.806
85 HG3 GLN 12 HG3 GLN 12 -4.672 -1.125 -5.629
86 HE21 GLN 12 HE21 GLN 12 -3.208 0.775 -6.469
87 HE22 GLN 12 HE22 GLN 12 -4.087 2.179 -6.959
88 H MET 13 H MET 13 -4.043 -2.963 -4.493
89 HA MET 13 HA MET 13 -5.260 -5.432 -4.245
90 HB2 MET 13 HB2 MET 13 -6.452 -4.468 -2.296
91 HB3 MET 13 HB3 MET 13 -4.735 -4.087 -2.306
92 HG2 MET 13 HG2 MET 13 -5.349 -1.875 -3.337
93 HG3 MET 13 HG3 MET 13 -7.029 -2.276 -2.990
94 HE1 MET 13 HE1 MET 13 -8.143 -1.564 -1.379
95 HE2 MET 13 HE2 MET 13 -7.809 -2.481 0.089
96 HE3 MET 13 HE3 MET 13 -7.627 -0.727 0.085
97 H LYS 14 H LYS 14 -6.686 -2.347 -5.233
98 HA LYS 14 HA LYS 14 -9.361 -3.153 -5.339
99 HB2 LYS 14 HB2 LYS 14 -8.288 -0.800 -5.612
100 HB3 LYS 14 HB3 LYS 14 -8.204 -1.215 -7.319
101 HG2 LYS 14 HG2 LYS 14 -10.799 -1.544 -5.907
102 HG3 LYS 14 HG3 LYS 14 -10.257 0.084 -6.323
103 HD2 LYS 14 HD2 LYS 14 -10.316 -0.344 -8.605
104 HD3 LYS 14 HD3 LYS 14 -10.223 -2.092 -8.379
105 HE2 LYS 14 HE2 LYS 14 -12.448 -1.494 -9.091
106 HE3 LYS 14 HE3 LYS 14 -12.500 -2.052 -7.419
107 HZ1 LYS 14 HZ1 LYS 14 -13.607 -0.178 -7.024
108 HZ2 LYS 14 HZ2 LYS 14 -13.180 0.511 -8.508
109 HZ3 LYS 14 HZ3 LYS 14 -12.129 0.628 -7.188
110 H ASP 15 H ASP 15 -6.742 -3.526 -7.649
111 HA ASP 15 HA ASP 15 -8.568 -4.822 -9.543
112 HB2 ASP 15 HB2 ASP 15 -5.677 -4.003 -9.906
113 HB3 ASP 15 HB3 ASP 15 -6.733 -4.652 -11.158
114 H CYS 16 H CYS 16 -7.189 -5.835 -6.927
115 HA CYS 16 HA CYS 16 -5.493 -7.966 -7.727
116 HB2 CYS 16 HB2 CYS 16 -5.377 -7.105 -5.468
117 HB3 CYS 16 HB3 CYS 16 -7.065 -7.519 -5.183
118 H THR 17 H THR 17 -5.911 -10.129 -8.024
119 HA THR 17 HA THR 17 -8.605 -10.780 -8.855
120 HB THR 17 HB THR 17 -7.703 -12.809 -9.752
121 HG1 THR 17 HG1 THR 17 -5.599 -13.488 -9.266
122 HG21 THR 17 HG21 THR 17 -7.221 -10.890 -11.112
123 HG22 THR 17 HG22 THR 17 -5.811 -11.947 -11.138
124 HG23 THR 17 HG23 THR 17 -5.806 -10.494 -10.138
125 H GLU 18 H GLU 18 -8.869 -10.338 -6.268
126 HA GLU 18 HA GLU 18 -8.421 -12.662 -4.649
127 HB2 GLU 18 HB2 GLU 18 -9.483 -11.461 -2.894
128 HB3 GLU 18 HB3 GLU 18 -8.527 -10.292 -3.794
129 HG2 GLU 18 HG2 GLU 18 -10.506 -9.488 -4.923
130 HG3 GLU 18 HG3 GLU 18 -11.488 -10.714 -4.123
131 H ARG 19 H ARG 19 -10.687 -13.070 -3.236
132 HA ARG 19 HA ARG 19 -12.810 -13.704 -5.144
133 HB2 ARG 19 HB2 ARG 19 -12.975 -16.008 -4.339
134 HB3 ARG 19 HB3 ARG 19 -11.398 -15.703 -5.054
135 HG2 ARG 19 HG2 ARG 19 -11.713 -15.372 -2.116
136 HG3 ARG 19 HG3 ARG 19 -11.645 -17.003 -2.788
137 HD2 ARG 19 HD2 ARG 19 -9.561 -16.043 -4.065
138 HD3 ARG 19 HD3 ARG 19 -9.560 -14.872 -2.746
139 HE ARG 19 HE ARG 19 -8.751 -16.501 -1.372
140 HH11 ARG 19 HH11 ARG 19 -10.205 -18.010 -4.152
141 HH12 ARG 19 HH12 ARG 19 -9.697 -19.607 -3.713
142 HH21 ARG 19 HH21 ARG 19 -8.077 -18.600 -0.783
143 HH22 ARG 19 HH22 ARG 19 -8.488 -19.942 -1.797
Start of MODEL 11
1 H1 LYS 1 H1 LYS 1 1.571 -0.197 -1.266
2 HA LYS 1 HA LYS 1 2.840 0.291 -3.882
3 HB2 LYS 1 HB2 LYS 1 4.948 -0.574 -2.758
4 HB3 LYS 1 HB3 LYS 1 4.399 1.021 -2.260
5 HG2 LYS 1 HG2 LYS 1 3.449 -1.290 -0.674
6 HG3 LYS 1 HG3 LYS 1 5.151 -0.844 -0.527
7 HD2 LYS 1 HD2 LYS 1 3.137 1.333 -0.374
8 HD3 LYS 1 HD3 LYS 1 3.262 0.235 1.003
9 HE2 LYS 1 HE2 LYS 1 5.598 0.743 1.261
10 HE3 LYS 1 HE3 LYS 1 5.596 1.701 -0.219
11 HZ1 LYS 1 HZ1 LYS 1 4.429 3.401 0.780
12 HZ2 LYS 1 HZ2 LYS 1 5.429 2.888 2.043
13 HZ3 LYS 1 HZ3 LYS 1 3.805 2.417 2.007
14 H GLY 2 H GLY 2 1.831 -2.078 -1.495
15 HA2 GLY 2 HA2 GLY 2 1.957 -4.131 -3.597
16 HA3 GLY 2 HA3 GLY 2 2.695 -4.459 -2.036
17 H CYS 3 H CYS 3 0.884 -6.318 -2.668
18 HA CYS 3 HA CYS 3 -1.769 -5.604 -2.133
19 HB2 CYS 3 HB2 CYS 3 -0.526 -7.837 -3.109
20 HB3 CYS 3 HB3 CYS 3 -0.964 -8.382 -1.502
21 H TRP 4 H TRP 4 -2.558 -7.422 -0.188
22 HA TRP 4 HA TRP 4 -1.321 -6.338 2.257
23 HB2 TRP 4 HB2 TRP 4 -3.543 -6.624 3.326
24 HB3 TRP 4 HB3 TRP 4 -3.577 -5.491 1.977
25 HD1 TRP 4 HD1 TRP 4 -4.634 -6.502 -0.382
26 HE1 TRP 4 HE1 TRP 4 -6.551 -8.189 -0.704
27 HE3 TRP 4 HE3 TRP 4 -4.676 -8.584 4.287
28 HZ2 TRP 4 HZ2 TRP 4 -7.902 -10.144 0.820
29 HZ3 TRP 4 HZ3 TRP 4 -6.312 -10.356 4.774
30 HH2 TRP 4 HH2 TRP 4 -7.891 -11.118 3.075
31 H LYS 5 H LYS 5 -2.189 -9.155 0.507
32 HA LYS 5 HA LYS 5 -1.372 -10.822 2.796
33 HB2 LYS 5 HB2 LYS 5 -2.947 -12.480 2.242
34 HB3 LYS 5 HB3 LYS 5 -3.833 -10.966 2.120
35 HG2 LYS 5 HG2 LYS 5 -2.594 -12.344 -0.248
36 HG3 LYS 5 HG3 LYS 5 -4.253 -12.625 0.286
37 HD2 LYS 5 HD2 LYS 5 -3.991 -9.851 0.177
38 HD3 LYS 5 HD3 LYS 5 -3.159 -10.444 -1.263
39 HE2 LYS 5 HE2 LYS 5 -6.009 -10.945 -0.431
40 HE3 LYS 5 HE3 LYS 5 -5.433 -10.089 -1.861
41 HZ1 LYS 5 HZ1 LYS 5 -4.301 -12.418 -2.287
42 HZ2 LYS 5 HZ2 LYS 5 -5.884 -12.092 -2.785
43 HZ3 LYS 5 HZ3 LYS 5 -5.608 -12.959 -1.359
44 H CYS 6 H CYS 6 -1.249 -10.245 -0.651
45 HA CYS 6 HA CYS 6 0.166 -12.542 -1.431
46 HB2 CYS 6 HB2 CYS 6 0.204 -9.762 -2.623
47 HB3 CYS 6 HB3 CYS 6 0.838 -11.204 -3.409
48 H GLY 7 H GLY 7 1.497 -9.250 -1.039
49 HA2 GLY 7 HA2 GLY 7 3.435 -8.691 0.190
50 HA3 GLY 7 HA3 GLY 7 3.859 -10.395 0.252
51 H LYS 8 H LYS 8 3.464 -10.813 -2.604
52 HA LYS 8 HA LYS 8 6.033 -10.453 -3.541
53 HB2 LYS 8 HB2 LYS 8 4.937 -10.665 -5.858
54 HB3 LYS 8 HB3 LYS 8 4.719 -11.990 -4.722
55 HG2 LYS 8 HG2 LYS 8 2.497 -11.580 -4.451
56 HG3 LYS 8 HG3 LYS 8 2.664 -9.851 -4.763
57 HD2 LYS 8 HD2 LYS 8 3.159 -11.822 -6.958
58 HD3 LYS 8 HD3 LYS 8 1.505 -11.380 -6.526
59 HE2 LYS 8 HE2 LYS 8 3.698 -9.469 -7.329
60 HE3 LYS 8 HE3 LYS 8 2.362 -9.994 -8.352
61 HZ1 LYS 8 HZ1 LYS 8 2.397 -8.044 -6.213
62 HZ2 LYS 8 HZ2 LYS 8 1.059 -9.079 -6.204
63 HZ3 LYS 8 HZ3 LYS 8 1.395 -8.143 -7.573
64 H GLU 9 H GLU 9 3.360 -8.217 -3.549
65 HA GLU 9 HA GLU 9 3.189 -6.020 -4.113
66 HB2 GLU 9 HB2 GLU 9 6.208 -6.138 -4.010
67 HB3 GLU 9 HB3 GLU 9 5.252 -4.663 -4.053
68 HG2 GLU 9 HG2 GLU 9 4.781 -4.759 -1.874
69 HG3 GLU 9 HG3 GLU 9 4.498 -6.498 -1.910
70 H GLY 10 H GLY 10 2.299 -5.995 -6.111
71 HA2 GLY 10 HA2 GLY 10 3.980 -5.286 -8.324
72 HA3 GLY 10 HA3 GLY 10 3.306 -6.901 -8.492
73 H HIS 11 H HIS 11 0.797 -6.370 -7.247
74 HA HIS 11 HA HIS 11 -0.397 -4.505 -9.192
75 HB2 HIS 11 HB2 HIS 11 -2.390 -6.002 -9.210
76 HB3 HIS 11 HB3 HIS 11 -0.941 -6.763 -9.861
77 HD1 HIS 11 HD1 HIS 11 -0.280 -8.946 -8.855
78 HD2 HIS 11 HD2 HIS 11 -2.995 -6.877 -6.486
79 HE1 HIS 11 HE1 HIS 11 -0.898 -10.529 -7.001
80 H GLN 12 H GLN 12 -2.924 -4.330 -8.374
81 HA GLN 12 HA GLN 12 -2.662 -3.117 -5.721
82 HB2 GLN 12 HB2 GLN 12 -3.451 -1.573 -7.359
83 HB3 GLN 12 HB3 GLN 12 -4.644 -2.718 -7.959
84 HG2 GLN 12 HG2 GLN 12 -6.105 -2.298 -6.273
85 HG3 GLN 12 HG3 GLN 12 -4.833 -1.906 -5.117
86 HE21 GLN 12 HE21 GLN 12 -7.298 -0.656 -6.882
87 HE22 GLN 12 HE22 GLN 12 -6.811 1.001 -6.933
88 H MET 13 H MET 13 -3.919 -3.687 -4.006
89 HA MET 13 HA MET 13 -4.889 -6.270 -3.782
90 HB2 MET 13 HB2 MET 13 -6.125 -5.387 -1.753
91 HB3 MET 13 HB3 MET 13 -4.392 -5.090 -1.788
92 HG2 MET 13 HG2 MET 13 -5.677 -2.891 -3.028
93 HG3 MET 13 HG3 MET 13 -6.510 -3.229 -1.512
94 HE1 MET 13 HE1 MET 13 -5.712 -0.720 -1.637
95 HE2 MET 13 HE2 MET 13 -5.469 -0.915 0.099
96 HE3 MET 13 HE3 MET 13 -4.209 -0.176 -0.891
97 H LYS 14 H LYS 14 -6.579 -3.315 -4.687
98 HA LYS 14 HA LYS 14 -9.204 -4.300 -4.593
99 HB2 LYS 14 HB2 LYS 14 -8.309 -1.878 -4.937
100 HB3 LYS 14 HB3 LYS 14 -8.323 -2.294 -6.646
101 HG2 LYS 14 HG2 LYS 14 -10.781 -2.800 -5.056
102 HG3 LYS 14 HG3 LYS 14 -10.382 -1.136 -5.487
103 HD2 LYS 14 HD2 LYS 14 -10.497 -1.589 -7.788
104 HD3 LYS 14 HD3 LYS 14 -10.412 -3.334 -7.535
105 HE2 LYS 14 HE2 LYS 14 -12.636 -3.063 -6.288
106 HE3 LYS 14 HE3 LYS 14 -12.715 -1.471 -7.041
107 HZ1 LYS 14 HZ1 LYS 14 -13.472 -3.896 -8.144
108 HZ2 LYS 14 HZ2 LYS 14 -12.079 -3.424 -8.980
109 HZ3 LYS 14 HZ3 LYS 14 -13.417 -2.390 -8.914
110 H ASP 15 H ASP 15 -6.725 -4.483 -7.078
111 HA ASP 15 HA ASP 15 -8.574 -5.940 -8.831
112 HB2 ASP 15 HB2 ASP 15 -5.791 -4.957 -9.483
113 HB3 ASP 15 HB3 ASP 15 -7.007 -5.543 -10.615
114 H CYS 16 H CYS 16 -6.852 -6.784 -6.344
115 HA CYS 16 HA CYS 16 -5.021 -8.728 -7.249
116 HB2 CYS 16 HB2 CYS 16 -4.901 -7.909 -4.980
117 HB3 CYS 16 HB3 CYS 16 -6.529 -8.489 -4.640
118 H THR 17 H THR 17 -5.210 -10.908 -7.607
119 HA THR 17 HA THR 17 -7.841 -11.842 -8.351
120 HB THR 17 HB THR 17 -6.030 -12.394 -9.840
121 HG1 THR 17 HG1 THR 17 -6.983 -14.249 -10.147
122 HG21 THR 17 HG21 THR 17 -4.754 -13.473 -7.356
123 HG22 THR 17 HG22 THR 17 -4.073 -12.416 -8.592
124 HG23 THR 17 HG23 THR 17 -4.317 -14.129 -8.933
125 H GLU 18 H GLU 18 -8.175 -11.504 -5.800
126 HA GLU 18 HA GLU 18 -7.408 -13.805 -4.236
127 HB2 GLU 18 HB2 GLU 18 -8.499 -12.741 -2.406
128 HB3 GLU 18 HB3 GLU 18 -7.659 -11.481 -3.300
129 HG2 GLU 18 HG2 GLU 18 -9.723 -10.782 -4.335
130 HG3 GLU 18 HG3 GLU 18 -10.592 -12.104 -3.558
131 H ARG 19 H ARG 19 -10.182 -12.727 -6.050
132 HA ARG 19 HA ARG 19 -11.558 -15.235 -5.345
133 HB2 ARG 19 HB2 ARG 19 -12.775 -13.406 -4.344
134 HB3 ARG 19 HB3 ARG 19 -12.762 -12.513 -5.859
135 HG2 ARG 19 HG2 ARG 19 -14.162 -14.265 -6.875
136 HG3 ARG 19 HG3 ARG 19 -14.218 -15.091 -5.317
137 HD2 ARG 19 HD2 ARG 19 -16.222 -13.718 -5.736
138 HD3 ARG 19 HD3 ARG 19 -15.327 -13.195 -4.309
139 HE ARG 19 HE ARG 19 -14.556 -11.758 -6.651
140 HH11 ARG 19 HH11 ARG 19 -16.973 -11.973 -4.154
141 HH12 ARG 19 HH12 ARG 19 -17.426 -10.305 -4.268
142 HH21 ARG 19 HH21 ARG 19 -15.144 -9.560 -6.810
143 HH22 ARG 19 HH22 ARG 19 -16.385 -8.933 -5.779
Start of MODEL 12
1 H1 LYS 1 H1 LYS 1 4.690 -2.655 -0.873
2 HA LYS 1 HA LYS 1 2.529 -0.684 -0.517
3 HB2 LYS 1 HB2 LYS 1 5.094 -0.451 -2.077
4 HB3 LYS 1 HB3 LYS 1 3.702 0.563 -2.433
5 HG2 LYS 1 HG2 LYS 1 4.962 1.884 -1.019
6 HG3 LYS 1 HG3 LYS 1 3.778 1.162 0.073
7 HD2 LYS 1 HD2 LYS 1 5.374 -0.430 0.865
8 HD3 LYS 1 HD3 LYS 1 6.537 0.035 -0.379
9 HE2 LYS 1 HE2 LYS 1 5.551 2.121 1.502
10 HE3 LYS 1 HE3 LYS 1 6.721 0.942 2.093
11 HZ1 LYS 1 HZ1 LYS 1 7.806 1.688 -0.249
12 HZ2 LYS 1 HZ2 LYS 1 8.211 2.359 1.250
13 HZ3 LYS 1 HZ3 LYS 1 7.086 3.134 0.253
14 H GLY 2 H GLY 2 1.966 -3.287 -1.219
15 HA2 GLY 2 HA2 GLY 2 1.121 -2.935 -4.021
16 HA3 GLY 2 HA3 GLY 2 1.836 -4.452 -3.497
17 H CYS 3 H CYS 3 0.534 -6.042 -2.567
18 HA CYS 3 HA CYS 3 -2.274 -5.326 -2.447
19 HB2 CYS 3 HB2 CYS 3 -1.035 -7.505 -3.524
20 HB3 CYS 3 HB3 CYS 3 -1.460 -8.133 -1.944
21 H TRP 4 H TRP 4 -3.145 -7.160 -0.600
22 HA TRP 4 HA TRP 4 -1.903 -6.241 1.910
23 HB2 TRP 4 HB2 TRP 4 -4.152 -6.506 2.932
24 HB3 TRP 4 HB3 TRP 4 -4.123 -5.305 1.644
25 HD1 TRP 4 HD1 TRP 4 -5.195 -6.131 -0.770
26 HE1 TRP 4 HE1 TRP 4 -7.155 -7.739 -1.214
27 HE3 TRP 4 HE3 TRP 4 -5.340 -8.503 3.756
28 HZ2 TRP 4 HZ2 TRP 4 -8.575 -9.747 0.171
29 HZ3 TRP 4 HZ3 TRP 4 -7.030 -10.255 4.116
30 HH2 TRP 4 HH2 TRP 4 -8.614 -10.862 2.359
31 H LYS 5 H LYS 5 -2.864 -8.945 0.025
32 HA LYS 5 HA LYS 5 -2.124 -10.741 2.241
33 HB2 LYS 5 HB2 LYS 5 -3.745 -12.325 1.581
34 HB3 LYS 5 HB3 LYS 5 -4.578 -10.776 1.558
35 HG2 LYS 5 HG2 LYS 5 -3.384 -12.029 -0.899
36 HG3 LYS 5 HG3 LYS 5 -5.046 -12.311 -0.377
37 HD2 LYS 5 HD2 LYS 5 -4.795 -9.560 -0.292
38 HD3 LYS 5 HD3 LYS 5 -3.879 -10.015 -1.730
39 HE2 LYS 5 HE2 LYS 5 -6.759 -10.627 -1.101
40 HE3 LYS 5 HE3 LYS 5 -6.129 -9.627 -2.409
41 HZ1 LYS 5 HZ1 LYS 5 -6.751 -11.722 -3.309
42 HZ2 LYS 5 HZ2 LYS 5 -5.886 -12.570 -2.129
43 HZ3 LYS 5 HZ3 LYS 5 -5.060 -11.668 -3.298
44 H CYS 6 H CYS 6 -1.920 -9.992 -1.163
45 HA CYS 6 HA CYS 6 -0.495 -12.330 -1.938
46 HB2 CYS 6 HB2 CYS 6 -0.580 -9.613 -3.267
47 HB3 CYS 6 HB3 CYS 6 -0.023 -11.109 -4.010
48 H GLY 7 H GLY 7 1.335 -12.764 -0.824
49 HA2 GLY 7 HA2 GLY 7 3.130 -10.979 0.290
50 HA3 GLY 7 HA3 GLY 7 3.549 -12.604 -0.232
51 H LYS 8 H LYS 8 2.904 -12.068 -3.033
52 HA LYS 8 HA LYS 8 5.392 -11.395 -4.011
53 HB2 LYS 8 HB2 LYS 8 4.117 -10.845 -6.169
54 HB3 LYS 8 HB3 LYS 8 3.943 -12.467 -5.512
55 HG2 LYS 8 HG2 LYS 8 1.780 -12.012 -4.691
56 HG3 LYS 8 HG3 LYS 8 1.970 -10.275 -4.945
57 HD2 LYS 8 HD2 LYS 8 1.973 -12.316 -7.165
58 HD3 LYS 8 HD3 LYS 8 0.541 -11.424 -6.646
59 HE2 LYS 8 HE2 LYS 8 3.087 -10.276 -7.784
60 HE3 LYS 8 HE3 LYS 8 1.507 -10.332 -8.565
61 HZ1 LYS 8 HZ1 LYS 8 2.467 -8.574 -6.434
62 HZ2 LYS 8 HZ2 LYS 8 0.835 -9.016 -6.407
63 HZ3 LYS 8 HZ3 LYS 8 1.473 -8.224 -7.758
64 H GLU 9 H GLU 9 2.622 -9.288 -3.400
65 HA GLU 9 HA GLU 9 2.388 -7.020 -3.402
66 HB2 GLU 9 HB2 GLU 9 5.228 -7.361 -2.458
67 HB3 GLU 9 HB3 GLU 9 4.466 -5.780 -2.556
68 HG2 GLU 9 HG2 GLU 9 2.594 -6.930 -1.137
69 HG3 GLU 9 HG3 GLU 9 3.890 -8.052 -0.725
70 H GLY 10 H GLY 10 2.020 -6.748 -5.622
71 HA2 GLY 10 HA2 GLY 10 4.159 -5.298 -6.982
72 HA3 GLY 10 HA3 GLY 10 3.542 -6.733 -7.788
73 H HIS 11 H HIS 11 0.837 -6.527 -7.196
74 HA HIS 11 HA HIS 11 0.123 -4.196 -8.830
75 HB2 HIS 11 HB2 HIS 11 -2.010 -5.436 -9.234
76 HB3 HIS 11 HB3 HIS 11 -0.576 -6.289 -9.798
77 HD1 HIS 11 HD1 HIS 11 -0.287 -8.626 -8.988
78 HD2 HIS 11 HD2 HIS 11 -3.017 -6.495 -6.694
79 HE1 HIS 11 HE1 HIS 11 -1.284 -10.302 -7.400
80 H GLN 12 H GLN 12 -2.453 -3.774 -8.326
81 HA GLN 12 HA GLN 12 -2.420 -2.798 -5.570
82 HB2 GLN 12 HB2 GLN 12 -2.888 -1.076 -7.136
83 HB3 GLN 12 HB3 GLN 12 -4.059 -2.071 -7.992
84 HG2 GLN 12 HG2 GLN 12 -5.711 -1.686 -6.475
85 HG3 GLN 12 HG3 GLN 12 -4.584 -1.457 -5.139
86 HE21 GLN 12 HE21 GLN 12 -5.544 0.441 -4.466
87 HE22 GLN 12 HE22 GLN 12 -5.413 1.917 -5.355
88 H MET 13 H MET 13 -4.066 -3.204 -4.101
89 HA MET 13 HA MET 13 -5.214 -5.752 -4.139
90 HB2 MET 13 HB2 MET 13 -6.512 -5.000 -2.184
91 HB3 MET 13 HB3 MET 13 -4.817 -4.548 -2.063
92 HG2 MET 13 HG2 MET 13 -5.528 -2.287 -2.994
93 HG3 MET 13 HG3 MET 13 -7.178 -2.800 -2.649
94 HE1 MET 13 HE1 MET 13 -7.917 -1.837 0.548
95 HE2 MET 13 HE2 MET 13 -8.267 -2.869 -0.839
96 HE3 MET 13 HE3 MET 13 -7.574 -3.566 0.626
97 H LYS 14 H LYS 14 -6.566 -2.599 -4.985
98 HA LYS 14 HA LYS 14 -9.234 -3.376 -5.321
99 HB2 LYS 14 HB2 LYS 14 -8.097 -1.015 -5.365
100 HB3 LYS 14 HB3 LYS 14 -7.983 -1.310 -7.096
101 HG2 LYS 14 HG2 LYS 14 -10.590 -1.591 -5.649
102 HG3 LYS 14 HG3 LYS 14 -10.009 -0.018 -6.201
103 HD2 LYS 14 HD2 LYS 14 -10.661 -0.454 -8.283
104 HD3 LYS 14 HD3 LYS 14 -9.741 -1.960 -8.301
105 HE2 LYS 14 HE2 LYS 14 -11.624 -3.070 -7.137
106 HE3 LYS 14 HE3 LYS 14 -12.541 -1.569 -7.249
107 HZ1 LYS 14 HZ1 LYS 14 -13.112 -2.039 -9.325
108 HZ2 LYS 14 HZ2 LYS 14 -12.448 -3.580 -9.116
109 HZ3 LYS 14 HZ3 LYS 14 -11.512 -2.340 -9.785
110 H ASP 15 H ASP 15 -6.467 -3.587 -7.475
111 HA ASP 15 HA ASP 15 -8.155 -4.685 -9.601
112 HB2 ASP 15 HB2 ASP 15 -6.288 -2.896 -9.936
113 HB3 ASP 15 HB3 ASP 15 -5.192 -4.271 -9.842
114 H CYS 16 H CYS 16 -6.827 -5.878 -6.943
115 HA CYS 16 HA CYS 16 -5.251 -8.052 -7.800
116 HB2 CYS 16 HB2 CYS 16 -5.248 -7.300 -5.480
117 HB3 CYS 16 HB3 CYS 16 -6.943 -7.744 -5.311
118 H THR 17 H THR 17 -5.746 -10.190 -8.209
119 HA THR 17 HA THR 17 -8.454 -10.662 -9.160
120 HB THR 17 HB THR 17 -7.611 -12.575 -10.295
121 HG1 THR 17 HG1 THR 17 -5.374 -13.233 -9.895
122 HG21 THR 17 HG21 THR 17 -5.549 -10.370 -10.357
123 HG22 THR 17 HG22 THR 17 -6.988 -10.498 -11.367
124 HG23 THR 17 HG23 THR 17 -5.675 -11.661 -11.551
125 H GLU 18 H GLU 18 -8.506 -10.465 -6.455
126 HA GLU 18 HA GLU 18 -8.154 -12.936 -5.100
127 HB2 GLU 18 HB2 GLU 18 -9.214 -11.900 -3.240
128 HB3 GLU 18 HB3 GLU 18 -8.257 -10.655 -4.029
129 HG2 GLU 18 HG2 GLU 18 -10.237 -9.750 -5.080
130 HG3 GLU 18 HG3 GLU 18 -11.219 -11.041 -4.389
131 H ARG 19 H ARG 19 -9.587 -14.549 -4.617
132 HA ARG 19 HA ARG 19 -11.632 -15.120 -6.439
133 HB2 ARG 19 HB2 ARG 19 -12.007 -17.071 -5.216
134 HB3 ARG 19 HB3 ARG 19 -10.323 -16.701 -4.872
135 HG2 ARG 19 HG2 ARG 19 -12.644 -16.016 -3.080
136 HG3 ARG 19 HG3 ARG 19 -11.575 -17.406 -2.879
137 HD2 ARG 19 HD2 ARG 19 -10.558 -15.926 -1.468
138 HD3 ARG 19 HD3 ARG 19 -9.709 -15.544 -2.965
139 HE ARG 19 HE ARG 19 -10.688 -13.477 -2.949
140 HH11 ARG 19 HH11 ARG 19 -12.408 -15.567 -0.760
141 HH12 ARG 19 HH12 ARG 19 -13.396 -14.297 -0.117
142 HH21 ARG 19 HH21 ARG 19 -11.983 -11.797 -2.111
143 HH22 ARG 19 HH22 ARG 19 -13.154 -12.153 -0.887
Start of MODEL 13
1 H1 LYS 1 H1 LYS 1 5.916 -0.763 -1.874
2 HA LYS 1 HA LYS 1 3.756 -1.424 -0.092
3 HB2 LYS 1 HB2 LYS 1 2.320 -0.419 -1.718
4 HB3 LYS 1 HB3 LYS 1 3.768 0.573 -1.611
5 HG2 LYS 1 HG2 LYS 1 4.632 -0.458 -3.647
6 HG3 LYS 1 HG3 LYS 1 3.185 -1.464 -3.753
7 HD2 LYS 1 HD2 LYS 1 2.584 0.240 -5.157
8 HD3 LYS 1 HD3 LYS 1 1.973 0.880 -3.629
9 HE2 LYS 1 HE2 LYS 1 4.044 2.171 -3.360
10 HE3 LYS 1 HE3 LYS 1 4.627 1.545 -4.901
11 HZ1 LYS 1 HZ1 LYS 1 2.026 2.732 -5.095
12 HZ2 LYS 1 HZ2 LYS 1 3.413 3.017 -6.021
13 HZ3 LYS 1 HZ3 LYS 1 3.196 3.828 -4.552
14 H GLY 2 H GLY 2 2.207 -3.014 -0.336
15 HA2 GLY 2 HA2 GLY 2 2.346 -4.831 -2.599
16 HA3 GLY 2 HA3 GLY 2 2.809 -5.522 -1.051
17 H CYS 3 H CYS 3 0.771 -6.866 -2.103
18 HA CYS 3 HA CYS 3 -1.743 -5.693 -1.735
19 HB2 CYS 3 HB2 CYS 3 -0.829 -8.006 -2.884
20 HB3 CYS 3 HB3 CYS 3 -1.575 -8.631 -1.426
21 H TRP 4 H TRP 4 -3.098 -7.534 -0.156
22 HA TRP 4 HA TRP 4 -2.026 -6.972 2.530
23 HB2 TRP 4 HB2 TRP 4 -4.372 -7.023 3.308
24 HB3 TRP 4 HB3 TRP 4 -4.103 -5.779 2.091
25 HD1 TRP 4 HD1 TRP 4 -5.033 -6.369 -0.441
26 HE1 TRP 4 HE1 TRP 4 -7.087 -7.752 -1.144
27 HE3 TRP 4 HE3 TRP 4 -5.806 -8.943 3.908
28 HZ2 TRP 4 HZ2 TRP 4 -8.808 -9.677 -0.005
29 HZ3 TRP 4 HZ3 TRP 4 -7.678 -10.535 4.019
30 HH2 TRP 4 HH2 TRP 4 -9.147 -10.893 2.102
31 H LYS 5 H LYS 5 -3.084 -9.411 0.350
32 HA LYS 5 HA LYS 5 -2.770 -11.430 2.473
33 HB2 LYS 5 HB2 LYS 5 -4.479 -12.759 1.550
34 HB3 LYS 5 HB3 LYS 5 -5.128 -11.124 1.536
35 HG2 LYS 5 HG2 LYS 5 -3.813 -12.389 -0.852
36 HG3 LYS 5 HG3 LYS 5 -5.546 -12.486 -0.531
37 HD2 LYS 5 HD2 LYS 5 -4.932 -9.789 -0.248
38 HD3 LYS 5 HD3 LYS 5 -3.988 -10.313 -1.644
39 HE2 LYS 5 HE2 LYS 5 -6.964 -10.525 -1.237
40 HE3 LYS 5 HE3 LYS 5 -6.105 -9.576 -2.449
41 HZ1 LYS 5 HZ1 LYS 5 -6.682 -12.436 -2.394
42 HZ2 LYS 5 HZ2 LYS 5 -5.200 -11.967 -3.061
43 HZ3 LYS 5 HZ3 LYS 5 -6.645 -11.364 -3.703
44 H CYS 6 H CYS 6 -2.150 -10.490 -0.836
45 HA CYS 6 HA CYS 6 -0.994 -12.866 -1.774
46 HB2 CYS 6 HB2 CYS 6 -0.369 -10.007 -2.546
47 HB3 CYS 6 HB3 CYS 6 0.106 -11.432 -3.464
48 H GLY 7 H GLY 7 0.742 -9.914 -0.753
49 HA2 GLY 7 HA2 GLY 7 2.562 -9.853 0.754
50 HA3 GLY 7 HA3 GLY 7 2.731 -11.594 0.584
51 H LYS 8 H LYS 8 2.655 -11.537 -2.324
52 HA LYS 8 HA LYS 8 5.348 -11.450 -2.914
53 HB2 LYS 8 HB2 LYS 8 4.542 -11.166 -5.338
54 HB3 LYS 8 HB3 LYS 8 3.995 -12.584 -4.454
55 HG2 LYS 8 HG2 LYS 8 1.836 -11.866 -4.355
56 HG3 LYS 8 HG3 LYS 8 2.284 -10.160 -4.389
57 HD2 LYS 8 HD2 LYS 8 2.768 -11.886 -6.784
58 HD3 LYS 8 HD3 LYS 8 1.156 -11.239 -6.472
59 HE2 LYS 8 HE2 LYS 8 3.689 -9.622 -6.742
60 HE3 LYS 8 HE3 LYS 8 2.438 -9.791 -7.973
61 HZ1 LYS 8 HZ1 LYS 8 1.658 -7.921 -7.045
62 HZ2 LYS 8 HZ2 LYS 8 2.468 -8.162 -5.579
63 HZ3 LYS 8 HZ3 LYS 8 1.005 -8.958 -5.878
64 H GLU 9 H GLU 9 3.031 -8.849 -2.847
65 HA GLU 9 HA GLU 9 3.238 -6.595 -3.068
66 HB2 GLU 9 HB2 GLU 9 6.182 -7.176 -2.701
67 HB3 GLU 9 HB3 GLU 9 5.429 -5.593 -2.571
68 HG2 GLU 9 HG2 GLU 9 4.769 -5.959 -0.480
69 HG3 GLU 9 HG3 GLU 9 4.174 -7.574 -0.858
70 H GLY 10 H GLY 10 2.611 -6.147 -5.115
71 HA2 GLY 10 HA2 GLY 10 4.625 -5.392 -7.007
72 HA3 GLY 10 HA3 GLY 10 3.778 -6.852 -7.495
73 H HIS 11 H HIS 11 1.220 -6.166 -6.469
74 HA HIS 11 HA HIS 11 0.523 -3.868 -8.177
75 HB2 HIS 11 HB2 HIS 11 -1.603 -5.053 -8.702
76 HB3 HIS 11 HB3 HIS 11 -0.175 -5.892 -9.301
77 HD1 HIS 11 HD1 HIS 11 0.102 -8.274 -8.607
78 HD2 HIS 11 HD2 HIS 11 -2.709 -6.271 -6.295
79 HE1 HIS 11 HE1 HIS 11 -0.958 -10.037 -7.160
80 H GLN 12 H GLN 12 -2.002 -3.393 -7.646
81 HA GLN 12 HA GLN 12 -1.990 -2.724 -4.800
82 HB2 GLN 12 HB2 GLN 12 -2.353 -0.821 -6.166
83 HB3 GLN 12 HB3 GLN 12 -3.534 -1.664 -7.159
84 HG2 GLN 12 HG2 GLN 12 -5.214 -1.393 -5.646
85 HG3 GLN 12 HG3 GLN 12 -4.116 -1.346 -4.268
86 HE21 GLN 12 HE21 GLN 12 -5.930 0.462 -6.474
87 HE22 GLN 12 HE22 GLN 12 -5.380 2.034 -6.014
88 H MET 13 H MET 13 -3.717 -3.180 -3.425
89 HA MET 13 HA MET 13 -4.951 -5.669 -3.739
90 HB2 MET 13 HB2 MET 13 -6.315 -5.022 -1.773
91 HB3 MET 13 HB3 MET 13 -4.598 -4.721 -1.543
92 HG2 MET 13 HG2 MET 13 -5.064 -2.332 -2.231
93 HG3 MET 13 HG3 MET 13 -6.775 -2.727 -2.075
94 HE1 MET 13 HE1 MET 13 -7.926 -2.095 -0.544
95 HE2 MET 13 HE2 MET 13 -7.834 -2.827 1.058
96 HE3 MET 13 HE3 MET 13 -7.352 -1.145 0.828
97 H LYS 14 H LYS 14 -6.189 -2.396 -4.274
98 HA LYS 14 HA LYS 14 -8.858 -3.016 -4.769
99 HB2 LYS 14 HB2 LYS 14 -7.765 -0.717 -4.544
100 HB3 LYS 14 HB3 LYS 14 -7.335 -0.871 -6.243
101 HG2 LYS 14 HG2 LYS 14 -10.173 -1.221 -5.378
102 HG3 LYS 14 HG3 LYS 14 -9.490 0.395 -5.574
103 HD2 LYS 14 HD2 LYS 14 -8.677 -0.736 -7.876
104 HD3 LYS 14 HD3 LYS 14 -10.164 -1.646 -7.601
105 HE2 LYS 14 HE2 LYS 14 -11.477 0.316 -7.596
106 HE3 LYS 14 HE3 LYS 14 -10.059 1.355 -7.457
107 HZ1 LYS 14 HZ1 LYS 14 -9.540 1.099 -9.660
108 HZ2 LYS 14 HZ2 LYS 14 -11.229 1.047 -9.737
109 HZ3 LYS 14 HZ3 LYS 14 -10.335 -0.388 -9.806
110 H ASP 15 H ASP 15 -6.046 -3.216 -6.861
111 HA ASP 15 HA ASP 15 -7.700 -3.985 -9.139
112 HB2 ASP 15 HB2 ASP 15 -5.656 -2.412 -9.261
113 HB3 ASP 15 HB3 ASP 15 -4.693 -3.881 -9.126
114 H CYS 16 H CYS 16 -6.170 -5.445 -6.543
115 HA CYS 16 HA CYS 16 -5.016 -7.747 -7.537
116 HB2 CYS 16 HB2 CYS 16 -5.018 -7.074 -5.149
117 HB3 CYS 16 HB3 CYS 16 -6.714 -7.535 -5.042
118 H THR 17 H THR 17 -5.763 -9.850 -7.938
119 HA THR 17 HA THR 17 -8.486 -9.940 -8.980
120 HB THR 17 HB THR 17 -7.856 -11.824 -10.246
121 HG1 THR 17 HG1 THR 17 -5.768 -12.064 -8.351
122 HG21 THR 17 HG21 THR 17 -5.769 -11.149 -11.368
123 HG22 THR 17 HG22 THR 17 -5.430 -10.035 -10.044
124 HG23 THR 17 HG23 THR 17 -6.835 -9.775 -11.078
125 H GLU 18 H GLU 18 -8.321 -9.906 -6.184
126 HA GLU 18 HA GLU 18 -8.306 -12.395 -4.930
127 HB2 GLU 18 HB2 GLU 18 -9.644 -11.319 -3.160
128 HB3 GLU 18 HB3 GLU 18 -8.286 -10.324 -3.664
129 HG2 GLU 18 HG2 GLU 18 -10.626 -9.694 -5.209
130 HG3 GLU 18 HG3 GLU 18 -10.966 -9.580 -3.483
131 H ARG 19 H ARG 19 -9.829 -13.950 -4.548
132 HA ARG 19 HA ARG 19 -11.745 -14.509 -6.454
133 HB2 ARG 19 HB2 ARG 19 -10.844 -16.158 -4.853
134 HB3 ARG 19 HB3 ARG 19 -11.759 -15.391 -3.562
135 HG2 ARG 19 HG2 ARG 19 -13.775 -16.191 -4.331
136 HG3 ARG 19 HG3 ARG 19 -13.186 -16.389 -5.982
137 HD2 ARG 19 HD2 ARG 19 -12.701 -18.517 -5.575
138 HD3 ARG 19 HD3 ARG 19 -11.631 -18.037 -4.258
139 HE ARG 19 HE ARG 19 -14.270 -19.124 -4.028
140 HH11 ARG 19 HH11 ARG 19 -11.901 -17.082 -2.498
141 HH12 ARG 19 HH12 ARG 19 -12.528 -17.329 -0.902
142 HH21 ARG 19 HH21 ARG 19 -15.106 -19.456 -1.931
143 HH22 ARG 19 HH22 ARG 19 -14.351 -18.680 -0.580
Start of MODEL 14
1 H1 LYS 1 H1 LYS 1 4.262 0.586 -3.766
2 HA LYS 1 HA LYS 1 4.816 -1.378 -1.779
3 HB2 LYS 1 HB2 LYS 1 2.543 -1.099 -0.640
4 HB3 LYS 1 HB3 LYS 1 3.808 0.039 -0.195
5 HG2 LYS 1 HG2 LYS 1 2.831 1.775 -1.452
6 HG3 LYS 1 HG3 LYS 1 1.751 0.660 -2.293
7 HD2 LYS 1 HD2 LYS 1 0.552 0.225 -0.225
8 HD3 LYS 1 HD3 LYS 1 1.666 1.268 0.663
9 HE2 LYS 1 HE2 LYS 1 -0.099 2.699 0.305
10 HE3 LYS 1 HE3 LYS 1 0.921 3.059 -1.087
11 HZ1 LYS 1 HZ1 LYS 1 -0.642 2.344 -2.473
12 HZ2 LYS 1 HZ2 LYS 1 -1.708 2.330 -1.160
13 HZ3 LYS 1 HZ3 LYS 1 -0.895 0.915 -1.604
14 H GLY 2 H GLY 2 3.440 -3.237 -1.950
15 HA2 GLY 2 HA2 GLY 2 2.026 -3.321 -4.537
16 HA3 GLY 2 HA3 GLY 2 2.792 -4.701 -3.763
17 H CYS 3 H CYS 3 1.437 -6.152 -2.772
18 HA CYS 3 HA CYS 3 -1.283 -5.274 -2.364
19 HB2 CYS 3 HB2 CYS 3 -0.232 -7.627 -3.284
20 HB3 CYS 3 HB3 CYS 3 -0.536 -8.038 -1.608
21 H TRP 4 H TRP 4 -1.964 -6.900 -0.226
22 HA TRP 4 HA TRP 4 -0.468 -5.692 2.007
23 HB2 TRP 4 HB2 TRP 4 -2.584 -5.849 3.296
24 HB3 TRP 4 HB3 TRP 4 -2.727 -4.817 1.876
25 HD1 TRP 4 HD1 TRP 4 -4.040 -5.945 -0.282
26 HE1 TRP 4 HE1 TRP 4 -5.996 -7.617 -0.304
27 HE3 TRP 4 HE3 TRP 4 -3.621 -7.745 4.484
28 HZ2 TRP 4 HZ2 TRP 4 -7.203 -9.455 1.466
29 HZ3 TRP 4 HZ3 TRP 4 -5.216 -9.458 5.242
30 HH2 TRP 4 HH2 TRP 4 -6.970 -10.294 3.763
31 H LYS 5 H LYS 5 -1.586 -8.610 0.576
32 HA LYS 5 HA LYS 5 -0.557 -10.124 2.886
33 HB2 LYS 5 HB2 LYS 5 -2.214 -11.778 2.623
34 HB3 LYS 5 HB3 LYS 5 -3.076 -10.250 2.493
35 HG2 LYS 5 HG2 LYS 5 -2.134 -11.807 0.101
36 HG3 LYS 5 HG3 LYS 5 -3.724 -12.026 0.837
37 HD2 LYS 5 HD2 LYS 5 -3.512 -9.285 0.536
38 HD3 LYS 5 HD3 LYS 5 -2.759 -9.925 -0.927
39 HE2 LYS 5 HE2 LYS 5 -5.538 -10.449 0.106
40 HE3 LYS 5 HE3 LYS 5 -5.076 -9.635 -1.388
41 HZ1 LYS 5 HZ1 LYS 5 -4.088 -11.773 -2.118
42 HZ2 LYS 5 HZ2 LYS 5 -5.766 -11.835 -1.917
43 HZ3 LYS 5 HZ3 LYS 5 -4.750 -12.514 -0.748
44 H CYS 6 H CYS 6 -0.778 -9.799 -0.586
45 HA CYS 6 HA CYS 6 0.528 -12.197 -1.300
46 HB2 CYS 6 HB2 CYS 6 0.432 -9.563 -2.787
47 HB3 CYS 6 HB3 CYS 6 0.898 -11.114 -3.478
48 H GLY 7 H GLY 7 2.593 -12.786 -1.157
49 HA2 GLY 7 HA2 GLY 7 4.528 -11.139 0.093
50 HA3 GLY 7 HA3 GLY 7 4.836 -12.692 -0.669
51 H LYS 8 H LYS 8 4.199 -12.227 -3.278
52 HA LYS 8 HA LYS 8 6.482 -11.115 -4.344
53 HB2 LYS 8 HB2 LYS 8 5.061 -10.859 -6.469
54 HB3 LYS 8 HB3 LYS 8 5.227 -12.471 -5.785
55 HG2 LYS 8 HG2 LYS 8 3.042 -12.445 -4.919
56 HG3 LYS 8 HG3 LYS 8 2.884 -10.703 -5.158
57 HD2 LYS 8 HD2 LYS 8 3.408 -11.546 -7.690
58 HD3 LYS 8 HD3 LYS 8 2.497 -12.916 -7.051
59 HE2 LYS 8 HE2 LYS 8 1.014 -11.299 -8.112
60 HE3 LYS 8 HE3 LYS 8 0.694 -11.408 -6.382
61 HZ1 LYS 8 HZ1 LYS 8 2.616 -9.413 -6.814
62 HZ2 LYS 8 HZ2 LYS 8 1.044 -9.244 -6.213
63 HZ3 LYS 8 HZ3 LYS 8 1.329 -9.136 -7.877
64 H GLU 9 H GLU 9 3.386 -9.551 -3.672
65 HA GLU 9 HA GLU 9 2.729 -7.369 -3.705
66 HB2 GLU 9 HB2 GLU 9 5.601 -7.178 -2.832
67 HB3 GLU 9 HB3 GLU 9 4.593 -5.745 -2.974
68 HG2 GLU 9 HG2 GLU 9 2.957 -7.166 -1.477
69 HG3 GLU 9 HG3 GLU 9 4.454 -7.978 -1.025
70 H GLY 10 H GLY 10 2.257 -7.246 -5.925
71 HA2 GLY 10 HA2 GLY 10 4.150 -5.561 -7.417
72 HA3 GLY 10 HA3 GLY 10 3.518 -7.015 -8.174
73 H HIS 11 H HIS 11 0.916 -7.052 -7.614
74 HA HIS 11 HA HIS 11 -0.074 -4.786 -9.128
75 HB2 HIS 11 HB2 HIS 11 -2.224 -6.066 -9.115
76 HB3 HIS 11 HB3 HIS 11 -0.869 -6.959 -9.798
77 HD1 HIS 11 HD1 HIS 11 -0.581 -9.256 -8.930
78 HD2 HIS 11 HD2 HIS 11 -2.692 -6.852 -6.279
79 HE1 HIS 11 HE1 HIS 11 -1.275 -10.776 -7.050
80 H GLN 12 H GLN 12 -2.562 -4.325 -8.316
81 HA GLN 12 HA GLN 12 -2.164 -3.071 -5.710
82 HB2 GLN 12 HB2 GLN 12 -2.931 -1.545 -7.358
83 HB3 GLN 12 HB3 GLN 12 -4.176 -2.656 -7.913
84 HG2 GLN 12 HG2 GLN 12 -5.590 -2.158 -6.195
85 HG3 GLN 12 HG3 GLN 12 -4.281 -1.722 -5.098
86 HE21 GLN 12 HE21 GLN 12 -6.286 -0.063 -5.037
87 HE22 GLN 12 HE22 GLN 12 -5.967 1.398 -5.902
88 H MET 13 H MET 13 -3.590 -3.317 -3.981
89 HA MET 13 HA MET 13 -4.608 -5.885 -3.549
90 HB2 MET 13 HB2 MET 13 -5.680 -4.911 -1.539
91 HB3 MET 13 HB3 MET 13 -3.988 -4.458 -1.696
92 HG2 MET 13 HG2 MET 13 -4.742 -2.301 -2.699
93 HG3 MET 13 HG3 MET 13 -6.395 -2.762 -2.296
94 HE1 MET 13 HE1 MET 13 -6.847 -3.796 0.100
95 HE2 MET 13 HE2 MET 13 -6.472 -2.817 1.518
96 HE3 MET 13 HE3 MET 13 -7.445 -2.141 0.211
97 H LYS 14 H LYS 14 -6.227 -2.889 -4.509
98 HA LYS 14 HA LYS 14 -8.869 -3.794 -4.381
99 HB2 LYS 14 HB2 LYS 14 -8.049 -1.416 -4.737
100 HB3 LYS 14 HB3 LYS 14 -7.814 -1.843 -6.427
101 HG2 LYS 14 HG2 LYS 14 -10.468 -2.298 -5.143
102 HG3 LYS 14 HG3 LYS 14 -10.007 -0.678 -5.670
103 HD2 LYS 14 HD2 LYS 14 -9.344 -2.050 -7.870
104 HD3 LYS 14 HD3 LYS 14 -10.631 -3.095 -7.264
105 HE2 LYS 14 HE2 LYS 14 -11.911 -0.814 -7.001
106 HE3 LYS 14 HE3 LYS 14 -10.758 -0.274 -8.220
107 HZ1 LYS 14 HZ1 LYS 14 -12.331 -2.742 -8.602
108 HZ2 LYS 14 HZ2 LYS 14 -11.570 -1.781 -9.767
109 HZ3 LYS 14 HZ3 LYS 14 -12.975 -1.230 -9.003
110 H ASP 15 H ASP 15 -6.415 -4.183 -6.857
111 HA ASP 15 HA ASP 15 -8.334 -5.583 -8.577
112 HB2 ASP 15 HB2 ASP 15 -6.662 -3.743 -9.386
113 HB3 ASP 15 HB3 ASP 15 -5.483 -5.050 -9.341
114 H CYS 16 H CYS 16 -6.609 -6.412 -6.041
115 HA CYS 16 HA CYS 16 -4.982 -8.556 -6.880
116 HB2 CYS 16 HB2 CYS 16 -4.728 -7.595 -4.668
117 HB3 CYS 16 HB3 CYS 16 -6.372 -8.059 -4.241
118 H THR 17 H THR 17 -5.361 -10.740 -7.057
119 HA THR 17 HA THR 17 -8.114 -11.484 -7.606
120 HB THR 17 HB THR 17 -6.461 -12.194 -9.221
121 HG1 THR 17 HG1 THR 17 -7.416 -14.081 -9.434
122 HG21 THR 17 HG21 THR 17 -5.153 -13.607 -6.897
123 HG22 THR 17 HG22 THR 17 -4.480 -12.286 -7.851
124 HG23 THR 17 HG23 THR 17 -4.729 -13.869 -8.588
125 H GLU 18 H GLU 18 -7.989 -11.009 -4.977
126 HA GLU 18 HA GLU 18 -7.291 -13.299 -3.421
127 HB2 GLU 18 HB2 GLU 18 -8.224 -12.126 -1.560
128 HB3 GLU 18 HB3 GLU 18 -7.381 -10.947 -2.554
129 HG2 GLU 18 HG2 GLU 18 -9.475 -10.187 -3.492
130 HG3 GLU 18 HG3 GLU 18 -10.352 -11.424 -2.593
131 H ARG 19 H ARG 19 -10.136 -12.238 -5.111
132 HA ARG 19 HA ARG 19 -12.058 -13.809 -3.783
133 HB2 ARG 19 HB2 ARG 19 -12.686 -11.982 -5.272
134 HB3 ARG 19 HB3 ARG 19 -11.993 -12.837 -6.644
135 HG2 ARG 19 HG2 ARG 19 -13.658 -14.649 -6.271
136 HG3 ARG 19 HG3 ARG 19 -14.404 -13.637 -5.033
137 HD2 ARG 19 HD2 ARG 19 -14.766 -11.882 -6.722
138 HD3 ARG 19 HD3 ARG 19 -14.073 -12.941 -7.949
139 HE ARG 19 HE ARG 19 -16.143 -14.342 -6.750
140 HH11 ARG 19 HH11 ARG 19 -15.733 -11.437 -8.624
141 HH12 ARG 19 HH12 ARG 19 -17.307 -11.522 -9.343
142 HH21 ARG 19 HH21 ARG 19 -18.218 -14.465 -7.689
143 HH22 ARG 19 HH22 ARG 19 -18.721 -13.245 -8.809
Start of MODEL 15
1 H1 LYS 1 H1 LYS 1 5.255 -0.662 -1.715
2 HA LYS 1 HA LYS 1 4.341 -2.695 0.024
3 HB2 LYS 1 HB2 LYS 1 2.310 -1.591 0.878
4 HB3 LYS 1 HB3 LYS 1 3.777 -0.845 1.499
5 HG2 LYS 1 HG2 LYS 1 2.496 0.292 -0.937
6 HG3 LYS 1 HG3 LYS 1 1.788 0.618 0.647
7 HD2 LYS 1 HD2 LYS 1 4.139 1.320 1.358
8 HD3 LYS 1 HD3 LYS 1 4.529 1.328 -0.364
9 HE2 LYS 1 HE2 LYS 1 2.661 2.913 -0.731
10 HE3 LYS 1 HE3 LYS 1 2.393 2.956 1.011
11 HZ1 LYS 1 HZ1 LYS 1 5.022 3.506 0.815
12 HZ2 LYS 1 HZ2 LYS 1 3.803 4.670 0.954
13 HZ3 LYS 1 HZ3 LYS 1 4.416 4.266 -0.570
14 H GLY 2 H GLY 2 2.701 -3.894 -0.891
15 HA2 GLY 2 HA2 GLY 2 1.574 -2.844 -3.411
16 HA3 GLY 2 HA3 GLY 2 2.225 -4.473 -3.306
17 H CYS 3 H CYS 3 0.766 -6.112 -2.965
18 HA CYS 3 HA CYS 3 -1.930 -5.464 -2.572
19 HB2 CYS 3 HB2 CYS 3 -0.581 -7.655 -3.506
20 HB3 CYS 3 HB3 CYS 3 -1.102 -8.233 -1.935
21 H TRP 4 H TRP 4 -2.781 -7.330 -0.699
22 HA TRP 4 HA TRP 4 -1.755 -6.204 1.822
23 HB2 TRP 4 HB2 TRP 4 -3.988 -6.658 2.762
24 HB3 TRP 4 HB3 TRP 4 -4.072 -5.581 1.371
25 HD1 TRP 4 HD1 TRP 4 -4.939 -6.744 -0.982
26 HE1 TRP 4 HE1 TRP 4 -6.641 -8.643 -1.330
27 HE3 TRP 4 HE3 TRP 4 -4.912 -8.733 3.728
28 HZ2 TRP 4 HZ2 TRP 4 -7.817 -10.710 0.191
29 HZ3 TRP 4 HZ3 TRP 4 -6.355 -10.669 4.199
30 HH2 TRP 4 HH2 TRP 4 -7.777 -11.636 2.466
31 H LYS 5 H LYS 5 -2.284 -9.078 0.019
32 HA LYS 5 HA LYS 5 -1.411 -10.677 2.334
33 HB2 LYS 5 HB2 LYS 5 -2.823 -12.464 1.730
34 HB3 LYS 5 HB3 LYS 5 -3.829 -11.028 1.600
35 HG2 LYS 5 HG2 LYS 5 -2.429 -12.272 -0.751
36 HG3 LYS 5 HG3 LYS 5 -4.069 -12.699 -0.255
37 HD2 LYS 5 HD2 LYS 5 -4.097 -9.932 -0.328
38 HD3 LYS 5 HD3 LYS 5 -3.110 -10.380 -1.721
39 HE2 LYS 5 HE2 LYS 5 -5.928 -11.243 -1.099
40 HE3 LYS 5 HE3 LYS 5 -5.375 -10.259 -2.453
41 HZ1 LYS 5 HZ1 LYS 5 -5.540 -12.269 -3.467
42 HZ2 LYS 5 HZ2 LYS 5 -5.202 -13.152 -2.065
43 HZ3 LYS 5 HZ3 LYS 5 -3.947 -12.400 -2.914
44 H CYS 6 H CYS 6 -1.244 -10.092 -1.110
45 HA CYS 6 HA CYS 6 0.378 -12.262 -1.848
46 HB2 CYS 6 HB2 CYS 6 0.264 -9.487 -3.051
47 HB3 CYS 6 HB3 CYS 6 0.964 -10.908 -3.821
48 H GLY 7 H GLY 7 2.538 -12.622 -1.795
49 HA2 GLY 7 HA2 GLY 7 4.110 -11.067 0.027
50 HA3 GLY 7 HA3 GLY 7 4.657 -12.460 -0.895
51 H LYS 8 H LYS 8 4.387 -11.727 -3.463
52 HA LYS 8 HA LYS 8 6.630 -10.230 -4.018
53 HB2 LYS 8 HB2 LYS 8 5.523 -9.878 -6.308
54 HB3 LYS 8 HB3 LYS 8 5.795 -11.533 -5.779
55 HG2 LYS 8 HG2 LYS 8 3.543 -11.911 -5.374
56 HG3 LYS 8 HG3 LYS 8 3.171 -10.188 -5.276
57 HD2 LYS 8 HD2 LYS 8 4.136 -10.397 -7.816
58 HD3 LYS 8 HD3 LYS 8 3.336 -11.958 -7.612
59 HE2 LYS 8 HE2 LYS 8 1.806 -10.307 -8.546
60 HE3 LYS 8 HE3 LYS 8 1.280 -10.817 -6.943
61 HZ1 LYS 8 HZ1 LYS 8 1.317 -8.717 -6.296
62 HZ2 LYS 8 HZ2 LYS 8 1.805 -8.225 -7.839
63 HZ3 LYS 8 HZ3 LYS 8 2.964 -8.595 -6.664
64 H GLU 9 H GLU 9 3.298 -9.138 -3.647
65 HA GLU 9 HA GLU 9 2.361 -7.062 -3.551
66 HB2 GLU 9 HB2 GLU 9 5.049 -6.621 -2.270
67 HB3 GLU 9 HB3 GLU 9 3.861 -5.330 -2.386
68 HG2 GLU 9 HG2 GLU 9 2.250 -6.811 -1.185
69 HG3 GLU 9 HG3 GLU 9 3.576 -7.945 -0.932
70 H GLY 10 H GLY 10 2.158 -6.715 -5.785
71 HA2 GLY 10 HA2 GLY 10 3.998 -4.662 -6.812
72 HA3 GLY 10 HA3 GLY 10 3.642 -6.070 -7.802
73 H HIS 11 H HIS 11 0.998 -6.438 -7.552
74 HA HIS 11 HA HIS 11 -0.062 -4.127 -8.953
75 HB2 HIS 11 HB2 HIS 11 -2.034 -5.612 -9.350
76 HB3 HIS 11 HB3 HIS 11 -0.514 -6.276 -9.942
77 HD1 HIS 11 HD1 HIS 11 0.151 -8.534 -9.087
78 HD2 HIS 11 HD2 HIS 11 -2.953 -6.855 -6.895
79 HE1 HIS 11 HE1 HIS 11 -0.632 -10.348 -7.532
80 H GLN 12 H GLN 12 -2.667 -4.031 -8.422
81 HA GLN 12 HA GLN 12 -2.726 -3.102 -5.647
82 HB2 GLN 12 HB2 GLN 12 -3.388 -1.401 -7.156
83 HB3 GLN 12 HB3 GLN 12 -4.424 -2.497 -8.059
84 HG2 GLN 12 HG2 GLN 12 -6.131 -2.346 -6.567
85 HG3 GLN 12 HG3 GLN 12 -5.057 -2.051 -5.200
86 HE21 GLN 12 HE21 GLN 12 -4.094 0.066 -5.023
87 HE22 GLN 12 HE22 GLN 12 -4.940 1.442 -5.636
88 H MET 13 H MET 13 -4.322 -3.712 -4.190
89 HA MET 13 HA MET 13 -5.159 -6.362 -4.229
90 HB2 MET 13 HB2 MET 13 -6.640 -5.738 -2.345
91 HB3 MET 13 HB3 MET 13 -5.004 -5.120 -2.158
92 HG2 MET 13 HG2 MET 13 -5.838 -2.937 -3.081
93 HG3 MET 13 HG3 MET 13 -7.467 -3.595 -2.947
94 HE1 MET 13 HE1 MET 13 -6.845 -0.883 -0.103
95 HE2 MET 13 HE2 MET 13 -5.355 -1.072 -1.029
96 HE3 MET 13 HE3 MET 13 -6.911 -1.032 -1.860
97 H LYS 14 H LYS 14 -6.905 -3.425 -5.144
98 HA LYS 14 HA LYS 14 -9.426 -4.542 -5.561
99 HB2 LYS 14 HB2 LYS 14 -8.803 -2.087 -5.565
100 HB3 LYS 14 HB3 LYS 14 -8.227 -2.316 -7.211
101 HG2 LYS 14 HG2 LYS 14 -11.014 -3.102 -6.482
102 HG3 LYS 14 HG3 LYS 14 -10.618 -1.411 -6.798
103 HD2 LYS 14 HD2 LYS 14 -9.442 -2.569 -8.924
104 HD3 LYS 14 HD3 LYS 14 -10.761 -3.710 -8.647
105 HE2 LYS 14 HE2 LYS 14 -11.760 -2.199 -10.067
106 HE3 LYS 14 HE3 LYS 14 -12.214 -1.547 -8.493
107 HZ1 LYS 14 HZ1 LYS 14 -9.748 -0.608 -9.790
108 HZ2 LYS 14 HZ2 LYS 14 -10.755 0.195 -8.694
109 HZ3 LYS 14 HZ3 LYS 14 -11.239 0.006 -10.304
110 H ASP 15 H ASP 15 -6.577 -4.489 -7.606
111 HA ASP 15 HA ASP 15 -8.041 -5.801 -9.773
112 HB2 ASP 15 HB2 ASP 15 -5.239 -4.676 -9.625
113 HB3 ASP 15 HB3 ASP 15 -5.885 -5.515 -11.032
114 H CYS 16 H CYS 16 -6.538 -6.719 -7.023
115 HA CYS 16 HA CYS 16 -4.815 -8.793 -7.785
116 HB2 CYS 16 HB2 CYS 16 -4.966 -7.896 -5.487
117 HB3 CYS 16 HB3 CYS 16 -6.558 -8.629 -5.317
118 H THR 17 H THR 17 -5.118 -11.022 -7.990
119 HA THR 17 HA THR 17 -7.257 -11.902 -9.484
120 HB THR 17 HB THR 17 -6.510 -14.148 -9.121
121 HG1 THR 17 HG1 THR 17 -6.177 -14.506 -7.031
122 HG21 THR 17 HG21 THR 17 -4.997 -12.597 -10.376
123 HG22 THR 17 HG22 THR 17 -4.177 -13.978 -9.648
124 HG23 THR 17 HG23 THR 17 -4.069 -12.388 -8.891
125 H GLU 18 H GLU 18 -6.874 -11.905 -5.983
126 HA GLU 18 HA GLU 18 -9.135 -13.489 -5.383
127 HB2 GLU 18 HB2 GLU 18 -7.343 -11.663 -3.880
128 HB3 GLU 18 HB3 GLU 18 -8.920 -11.979 -3.172
129 HG2 GLU 18 HG2 GLU 18 -6.830 -14.017 -3.898
130 HG3 GLU 18 HG3 GLU 18 -7.307 -13.517 -2.277
131 H ARG 19 H ARG 19 -11.096 -12.691 -4.261
132 HA ARG 19 HA ARG 19 -12.285 -10.550 -5.806
133 HB2 ARG 19 HB2 ARG 19 -14.377 -11.282 -4.939
134 HB3 ARG 19 HB3 ARG 19 -13.447 -12.731 -5.298
135 HG2 ARG 19 HG2 ARG 19 -14.161 -13.341 -3.254
136 HG3 ARG 19 HG3 ARG 19 -12.767 -12.395 -2.728
137 HD2 ARG 19 HD2 ARG 19 -14.362 -11.444 -1.412
138 HD3 ARG 19 HD3 ARG 19 -14.540 -10.426 -2.840
139 HE ARG 19 HE ARG 19 -16.622 -11.313 -3.165
140 HH11 ARG 19 HH11 ARG 19 -14.853 -13.348 -0.963
141 HH12 ARG 19 HH12 ARG 19 -16.217 -14.346 -0.584
142 HH21 ARG 19 HH21 ARG 19 -18.426 -12.621 -2.674
143 HH22 ARG 19 HH22 ARG 19 -18.248 -13.932 -1.558
Start of MODEL 16
1 H1 LYS 1 H1 LYS 1 6.229 -1.298 -1.463
2 HA LYS 1 HA LYS 1 3.989 -2.507 -0.106
3 HB2 LYS 1 HB2 LYS 1 4.105 0.152 -1.537
4 HB3 LYS 1 HB3 LYS 1 2.911 -0.357 -0.350
5 HG2 LYS 1 HG2 LYS 1 4.981 -0.614 1.211
6 HG3 LYS 1 HG3 LYS 1 5.745 0.475 0.051
7 HD2 LYS 1 HD2 LYS 1 4.861 1.911 1.665
8 HD3 LYS 1 HD3 LYS 1 3.660 1.946 0.372
9 HE2 LYS 1 HE2 LYS 1 2.288 0.343 1.575
10 HE3 LYS 1 HE3 LYS 1 3.506 0.223 2.844
11 HZ1 LYS 1 HZ1 LYS 1 1.603 2.374 2.291
12 HZ2 LYS 1 HZ2 LYS 1 3.113 2.806 2.920
13 HZ3 LYS 1 HZ3 LYS 1 2.116 1.739 3.774
14 H GLY 2 H GLY 2 2.640 -3.844 -1.106
15 HA2 GLY 2 HA2 GLY 2 1.811 -3.188 -3.855
16 HA3 GLY 2 HA3 GLY 2 2.334 -4.820 -3.466
17 H CYS 3 H CYS 3 0.782 -6.299 -2.856
18 HA CYS 3 HA CYS 3 -1.887 -5.295 -2.611
19 HB2 CYS 3 HB2 CYS 3 -0.833 -7.614 -3.613
20 HB3 CYS 3 HB3 CYS 3 -1.389 -8.157 -2.042
21 H TRP 4 H TRP 4 -2.924 -7.086 -0.757
22 HA TRP 4 HA TRP 4 -1.707 -6.169 1.765
23 HB2 TRP 4 HB2 TRP 4 -3.985 -6.346 2.737
24 HB3 TRP 4 HB3 TRP 4 -3.892 -5.176 1.424
25 HD1 TRP 4 HD1 TRP 4 -4.926 -6.032 -0.998
26 HE1 TRP 4 HE1 TRP 4 -6.922 -7.593 -1.452
27 HE3 TRP 4 HE3 TRP 4 -5.254 -8.284 3.580
28 HZ2 TRP 4 HZ2 TRP 4 -8.435 -9.523 -0.054
29 HZ3 TRP 4 HZ3 TRP 4 -7.003 -9.976 3.940
30 HH2 TRP 4 HH2 TRP 4 -8.560 -10.581 2.159
31 H LYS 5 H LYS 5 -2.711 -8.882 -0.087
32 HA LYS 5 HA LYS 5 -2.053 -10.653 2.174
33 HB2 LYS 5 HB2 LYS 5 -3.729 -12.188 1.555
34 HB3 LYS 5 HB3 LYS 5 -4.506 -10.613 1.461
35 HG2 LYS 5 HG2 LYS 5 -3.328 -12.007 -0.927
36 HG3 LYS 5 HG3 LYS 5 -5.008 -12.197 -0.421
37 HD2 LYS 5 HD2 LYS 5 -4.644 -9.459 -0.441
38 HD3 LYS 5 HD3 LYS 5 -3.721 -10.007 -1.842
39 HE2 LYS 5 HE2 LYS 5 -6.633 -10.497 -1.249
40 HE3 LYS 5 HE3 LYS 5 -5.950 -9.546 -2.566
41 HZ1 LYS 5 HZ1 LYS 5 -4.990 -11.580 -3.473
42 HZ2 LYS 5 HZ2 LYS 5 -6.673 -11.700 -3.350
43 HZ3 LYS 5 HZ3 LYS 5 -5.685 -12.484 -2.223
44 H CYS 6 H CYS 6 -1.830 -10.005 -1.254
45 HA CYS 6 HA CYS 6 -0.551 -12.382 -2.051
46 HB2 CYS 6 HB2 CYS 6 -0.313 -9.604 -3.227
47 HB3 CYS 6 HB3 CYS 6 0.179 -11.095 -4.023
48 H GLY 7 H GLY 7 1.493 -13.085 -1.882
49 HA2 GLY 7 HA2 GLY 7 3.310 -11.744 -0.144
50 HA3 GLY 7 HA3 GLY 7 3.639 -13.208 -1.060
51 H LYS 8 H LYS 8 3.407 -12.425 -3.638
52 HA LYS 8 HA LYS 8 5.847 -11.303 -4.247
53 HB2 LYS 8 HB2 LYS 8 4.750 -10.756 -6.504
54 HB3 LYS 8 HB3 LYS 8 4.769 -12.438 -5.991
55 HG2 LYS 8 HG2 LYS 8 2.491 -12.431 -5.477
56 HG3 LYS 8 HG3 LYS 8 2.411 -10.667 -5.456
57 HD2 LYS 8 HD2 LYS 8 3.258 -11.127 -7.996
58 HD3 LYS 8 HD3 LYS 8 2.246 -12.545 -7.713
59 HE2 LYS 8 HE2 LYS 8 0.949 -10.727 -8.688
60 HE3 LYS 8 HE3 LYS 8 0.393 -11.091 -7.055
61 HZ1 LYS 8 HZ1 LYS 8 0.742 -8.990 -6.510
62 HZ2 LYS 8 HZ2 LYS 8 1.279 -8.642 -8.076
63 HZ3 LYS 8 HZ3 LYS 8 2.384 -9.131 -6.893
64 H GLU 9 H GLU 9 2.737 -9.691 -3.808
65 HA GLU 9 HA GLU 9 2.150 -7.492 -3.684
66 HB2 GLU 9 HB2 GLU 9 4.901 -7.470 -2.454
67 HB3 GLU 9 HB3 GLU 9 3.886 -6.036 -2.504
68 HG2 GLU 9 HG2 GLU 9 2.117 -7.578 -1.387
69 HG3 GLU 9 HG3 GLU 9 3.516 -8.563 -0.966
70 H GLY 10 H GLY 10 1.987 -7.106 -5.918
71 HA2 GLY 10 HA2 GLY 10 4.113 -5.352 -6.945
72 HA3 GLY 10 HA3 GLY 10 3.545 -6.685 -7.940
73 H HIS 11 H HIS 11 0.894 -6.666 -7.738
74 HA HIS 11 HA HIS 11 0.184 -4.218 -9.111
75 HB2 HIS 11 HB2 HIS 11 -1.995 -5.383 -9.492
76 HB3 HIS 11 HB3 HIS 11 -0.599 -6.279 -10.084
77 HD1 HIS 11 HD1 HIS 11 -0.459 -8.648 -9.365
78 HD2 HIS 11 HD2 HIS 11 -2.917 -6.409 -6.874
79 HE1 HIS 11 HE1 HIS 11 -1.466 -10.297 -7.756
80 H GLN 12 H GLN 12 -2.373 -3.721 -8.565
81 HA GLN 12 HA GLN 12 -2.261 -2.747 -5.813
82 HB2 GLN 12 HB2 GLN 12 -2.730 -1.029 -7.391
83 HB3 GLN 12 HB3 GLN 12 -3.959 -2.001 -8.189
84 HG2 GLN 12 HG2 GLN 12 -5.544 -1.534 -6.635
85 HG3 GLN 12 HG3 GLN 12 -4.372 -1.366 -5.328
86 HE21 GLN 12 HE21 GLN 12 -6.552 0.284 -7.040
87 HE22 GLN 12 HE22 GLN 12 -5.871 1.870 -6.979
88 H MET 13 H MET 13 -3.893 -3.102 -4.308
89 HA MET 13 HA MET 13 -5.084 -5.630 -4.298
90 HB2 MET 13 HB2 MET 13 -6.360 -4.807 -2.338
91 HB3 MET 13 HB3 MET 13 -4.640 -4.454 -2.233
92 HG2 MET 13 HG2 MET 13 -5.312 -2.402 -1.680
93 HG3 MET 13 HG3 MET 13 -5.565 -2.197 -3.412
94 HE1 MET 13 HE1 MET 13 -8.585 -3.250 -0.219
95 HE2 MET 13 HE2 MET 13 -6.826 -3.179 -0.123
96 HE3 MET 13 HE3 MET 13 -7.777 -1.699 0.008
97 H LYS 14 H LYS 14 -6.395 -2.463 -5.154
98 HA LYS 14 HA LYS 14 -9.082 -3.182 -5.425
99 HB2 LYS 14 HB2 LYS 14 -7.904 -0.852 -5.541
100 HB3 LYS 14 HB3 LYS 14 -7.805 -1.187 -7.265
101 HG2 LYS 14 HG2 LYS 14 -10.428 -1.454 -5.873
102 HG3 LYS 14 HG3 LYS 14 -9.818 0.149 -6.289
103 HD2 LYS 14 HD2 LYS 14 -9.664 -1.859 -8.437
104 HD3 LYS 14 HD3 LYS 14 -11.296 -1.398 -7.948
105 HE2 LYS 14 HE2 LYS 14 -10.660 0.979 -8.251
106 HE3 LYS 14 HE3 LYS 14 -9.089 0.449 -8.852
107 HZ1 LYS 14 HZ1 LYS 14 -10.646 -0.944 -10.447
108 HZ2 LYS 14 HZ2 LYS 14 -10.182 0.641 -10.809
109 HZ3 LYS 14 HZ3 LYS 14 -11.706 0.339 -10.140
110 H ASP 15 H ASP 15 -6.371 -3.512 -7.634
111 HA ASP 15 HA ASP 15 -8.143 -4.662 -9.669
112 HB2 ASP 15 HB2 ASP 15 -6.334 -2.846 -10.141
113 HB3 ASP 15 HB3 ASP 15 -5.204 -4.194 -10.061
114 H CYS 16 H CYS 16 -6.756 -5.789 -7.046
115 HA CYS 16 HA CYS 16 -5.123 -7.928 -7.884
116 HB2 CYS 16 HB2 CYS 16 -5.095 -7.187 -5.580
117 HB3 CYS 16 HB3 CYS 16 -6.800 -7.585 -5.391
118 H THR 17 H THR 17 -5.558 -10.059 -8.329
119 HA THR 17 HA THR 17 -8.215 -10.621 -9.317
120 HB THR 17 HB THR 17 -6.367 -11.366 -10.673
121 HG1 THR 17 HG1 THR 17 -8.119 -12.762 -10.753
122 HG21 THR 17 HG21 THR 17 -4.987 -13.345 -9.687
123 HG22 THR 17 HG22 THR 17 -5.459 -12.662 -8.131
124 HG23 THR 17 HG23 THR 17 -4.541 -11.688 -9.280
125 H GLU 18 H GLU 18 -8.709 -10.306 -6.785
126 HA GLU 18 HA GLU 18 -8.504 -12.864 -5.391
127 HB2 GLU 18 HB2 GLU 18 -9.136 -11.717 -3.421
128 HB3 GLU 18 HB3 GLU 18 -8.028 -10.642 -4.261
129 HG2 GLU 18 HG2 GLU 18 -9.662 -9.172 -3.662
130 HG3 GLU 18 HG3 GLU 18 -10.231 -9.646 -5.261
131 H ARG 19 H ARG 19 -10.445 -13.719 -4.294
132 HA ARG 19 HA ARG 19 -12.511 -14.235 -6.101
133 HB2 ARG 19 HB2 ARG 19 -13.695 -15.236 -4.168
134 HB3 ARG 19 HB3 ARG 19 -12.021 -15.760 -4.288
135 HG2 ARG 19 HG2 ARG 19 -11.717 -13.666 -2.640
136 HG3 ARG 19 HG3 ARG 19 -13.361 -14.148 -2.218
137 HD2 ARG 19 HD2 ARG 19 -12.696 -16.229 -1.460
138 HD3 ARG 19 HD3 ARG 19 -11.209 -16.211 -2.408
139 HE ARG 19 HE ARG 19 -10.898 -14.177 -0.618
140 HH11 ARG 19 HH11 ARG 19 -11.598 -17.578 -0.376
141 HH12 ARG 19 HH12 ARG 19 -10.828 -17.760 1.165
142 HH21 ARG 19 HH21 ARG 19 -9.880 -14.404 1.411
143 HH22 ARG 19 HH22 ARG 19 -9.851 -15.954 2.181
Start of MODEL 17
1 H1 LYS 1 H1 LYS 1 -1.106 -0.278 -3.509
2 HA LYS 1 HA LYS 1 0.841 -1.970 -4.697
3 HB2 LYS 1 HB2 LYS 1 1.695 0.699 -3.681
4 HB3 LYS 1 HB3 LYS 1 2.734 -0.680 -3.345
5 HG2 LYS 1 HG2 LYS 1 3.436 0.476 -5.360
6 HG3 LYS 1 HG3 LYS 1 2.884 -1.159 -5.731
7 HD2 LYS 1 HD2 LYS 1 2.022 0.390 -7.379
8 HD3 LYS 1 HD3 LYS 1 0.694 -0.236 -6.399
9 HE2 LYS 1 HE2 LYS 1 0.512 2.187 -6.799
10 HE3 LYS 1 HE3 LYS 1 0.661 1.796 -5.086
11 HZ1 LYS 1 HZ1 LYS 1 2.824 2.582 -5.012
12 HZ2 LYS 1 HZ2 LYS 1 2.059 3.703 -6.022
13 HZ3 LYS 1 HZ3 LYS 1 3.038 2.495 -6.688
14 H GLY 2 H GLY 2 1.305 -3.600 -3.333
15 HA2 GLY 2 HA2 GLY 2 1.758 -4.610 -1.258
16 HA3 GLY 2 HA3 GLY 2 1.149 -3.173 -0.450
17 H CYS 3 H CYS 3 0.346 -6.354 -1.752
18 HA CYS 3 HA CYS 3 -2.450 -5.996 -1.619
19 HB2 CYS 3 HB2 CYS 3 -0.806 -7.895 -2.704
20 HB3 CYS 3 HB3 CYS 3 -1.391 -8.741 -1.285
21 H TRP 4 H TRP 4 -3.281 -8.167 -0.116
22 HA TRP 4 HA TRP 4 -2.593 -7.344 2.627
23 HB2 TRP 4 HB2 TRP 4 -4.849 -8.106 3.264
24 HB3 TRP 4 HB3 TRP 4 -4.909 -6.847 2.034
25 HD1 TRP 4 HD1 TRP 4 -5.437 -7.728 -0.537
26 HE1 TRP 4 HE1 TRP 4 -6.922 -9.681 -1.313
27 HE3 TRP 4 HE3 TRP 4 -5.677 -10.355 3.842
28 HZ2 TRP 4 HZ2 TRP 4 -8.047 -12.025 -0.215
29 HZ3 TRP 4 HZ3 TRP 4 -6.979 -12.442 3.895
30 HH2 TRP 4 HH2 TRP 4 -8.139 -13.258 1.908
31 H LYS 5 H LYS 5 -2.689 -9.956 0.401
32 HA LYS 5 HA LYS 5 -1.883 -11.802 2.551
33 HB2 LYS 5 HB2 LYS 5 -3.059 -13.589 1.560
34 HB3 LYS 5 HB3 LYS 5 -4.181 -12.235 1.534
35 HG2 LYS 5 HG2 LYS 5 -2.467 -12.992 -0.817
36 HG3 LYS 5 HG3 LYS 5 -4.093 -13.628 -0.554
37 HD2 LYS 5 HD2 LYS 5 -4.389 -10.894 -0.236
38 HD3 LYS 5 HD3 LYS 5 -3.247 -11.042 -1.574
39 HE2 LYS 5 HE2 LYS 5 -6.010 -12.221 -1.361
40 HE3 LYS 5 HE3 LYS 5 -5.440 -11.006 -2.504
41 HZ1 LYS 5 HZ1 LYS 5 -3.776 -12.932 -3.109
42 HZ2 LYS 5 HZ2 LYS 5 -5.317 -12.849 -3.800
43 HZ3 LYS 5 HZ3 LYS 5 -5.026 -13.900 -2.507
44 H CYS 6 H CYS 6 -1.456 -10.703 -0.741
45 HA CYS 6 HA CYS 6 0.440 -12.611 -1.575
46 HB2 CYS 6 HB2 CYS 6 0.131 -9.734 -2.461
47 HB3 CYS 6 HB3 CYS 6 1.026 -10.983 -3.321
48 H GLY 7 H GLY 7 2.523 -12.884 -1.092
49 HA2 GLY 7 HA2 GLY 7 3.770 -11.311 0.925
50 HA3 GLY 7 HA3 GLY 7 4.531 -12.593 -0.007
51 H LYS 8 H LYS 8 4.390 -11.652 -2.562
52 HA LYS 8 HA LYS 8 6.591 -10.014 -2.799
53 HB2 LYS 8 HB2 LYS 8 5.635 -9.494 -5.128
54 HB3 LYS 8 HB3 LYS 8 5.962 -11.176 -4.733
55 HG2 LYS 8 HG2 LYS 8 3.699 -11.688 -4.503
56 HG3 LYS 8 HG3 LYS 8 3.238 -9.991 -4.347
57 HD2 LYS 8 HD2 LYS 8 4.422 -10.019 -6.803
58 HD3 LYS 8 HD3 LYS 8 3.675 -11.618 -6.750
59 HE2 LYS 8 HE2 LYS 8 2.162 -9.972 -7.724
60 HE3 LYS 8 HE3 LYS 8 1.524 -10.600 -6.205
61 HZ1 LYS 8 HZ1 LYS 8 2.018 -7.938 -6.903
62 HZ2 LYS 8 HZ2 LYS 8 3.074 -8.338 -5.644
63 HZ3 LYS 8 HZ3 LYS 8 1.407 -8.540 -5.445
64 H GLU 9 H GLU 9 3.185 -9.105 -2.622
65 HA GLU 9 HA GLU 9 2.142 -7.087 -2.420
66 HB2 GLU 9 HB2 GLU 9 4.592 -6.892 -0.747
67 HB3 GLU 9 HB3 GLU 9 3.700 -5.406 -1.042
68 HG2 GLU 9 HG2 GLU 9 2.214 -5.944 0.498
69 HG3 GLU 9 HG3 GLU 9 1.864 -7.465 -0.320
70 H GLY 10 H GLY 10 2.126 -6.537 -4.623
71 HA2 GLY 10 HA2 GLY 10 3.943 -4.317 -5.276
72 HA3 GLY 10 HA3 GLY 10 3.747 -5.635 -6.422
73 H HIS 11 H HIS 11 1.002 -6.085 -6.168
74 HA HIS 11 HA HIS 11 -0.020 -3.677 -7.487
75 HB2 HIS 11 HB2 HIS 11 -1.834 -5.196 -8.297
76 HB3 HIS 11 HB3 HIS 11 -0.221 -5.674 -8.818
77 HD1 HIS 11 HD1 HIS 11 0.481 -8.010 -8.289
78 HD2 HIS 11 HD2 HIS 11 -2.848 -6.829 -6.102
79 HE1 HIS 11 HE1 HIS 11 -0.303 -10.076 -7.089
80 H GLN 12 H GLN 12 -2.665 -3.814 -7.220
81 HA GLN 12 HA GLN 12 -3.050 -3.320 -4.362
82 HB2 GLN 12 HB2 GLN 12 -3.687 -1.452 -5.674
83 HB3 GLN 12 HB3 GLN 12 -4.560 -2.459 -6.822
84 HG2 GLN 12 HG2 GLN 12 -6.396 -2.638 -5.489
85 HG3 GLN 12 HG3 GLN 12 -5.469 -2.463 -4.000
86 HE21 GLN 12 HE21 GLN 12 -5.313 -0.511 -3.073
87 HE22 GLN 12 HE22 GLN 12 -5.966 0.947 -3.730
88 H MET 13 H MET 13 -4.754 -4.214 -3.190
89 HA MET 13 HA MET 13 -5.378 -6.879 -3.684
90 HB2 MET 13 HB2 MET 13 -7.100 -6.612 -1.915
91 HB3 MET 13 HB3 MET 13 -5.533 -5.958 -1.458
92 HG2 MET 13 HG2 MET 13 -6.412 -3.702 -2.183
93 HG3 MET 13 HG3 MET 13 -8.001 -4.458 -2.268
94 HE1 MET 13 HE1 MET 13 -4.884 -4.417 -0.204
95 HE2 MET 13 HE2 MET 13 -5.368 -2.871 0.493
96 HE3 MET 13 HE3 MET 13 -5.404 -4.334 1.480
97 H LYS 14 H LYS 14 -7.261 -3.953 -4.345
98 HA LYS 14 HA LYS 14 -9.625 -5.149 -5.203
99 HB2 LYS 14 HB2 LYS 14 -9.201 -2.688 -4.791
100 HB3 LYS 14 HB3 LYS 14 -8.442 -2.632 -6.376
101 HG2 LYS 14 HG2 LYS 14 -11.220 -3.688 -6.083
102 HG3 LYS 14 HG3 LYS 14 -10.924 -1.948 -6.117
103 HD2 LYS 14 HD2 LYS 14 -9.445 -2.737 -8.235
104 HD3 LYS 14 HD3 LYS 14 -10.724 -3.953 -8.271
105 HE2 LYS 14 HE2 LYS 14 -11.410 -1.057 -7.974
106 HE3 LYS 14 HE3 LYS 14 -11.026 -1.715 -9.564
107 HZ1 LYS 14 HZ1 LYS 14 -12.828 -3.205 -9.437
108 HZ2 LYS 14 HZ2 LYS 14 -13.440 -1.710 -8.936
109 HZ3 LYS 14 HZ3 LYS 14 -13.081 -2.904 -7.792
110 H ASP 15 H ASP 15 -6.597 -4.617 -6.891
111 HA ASP 15 HA ASP 15 -7.734 -5.711 -9.359
112 HB2 ASP 15 HB2 ASP 15 -6.247 -3.592 -9.254
113 HB3 ASP 15 HB3 ASP 15 -4.911 -4.722 -9.053
114 H CYS 16 H CYS 16 -6.575 -6.970 -6.651
115 HA CYS 16 HA CYS 16 -4.519 -8.722 -7.494
116 HB2 CYS 16 HB2 CYS 16 -4.953 -8.190 -5.124
117 HB3 CYS 16 HB3 CYS 16 -6.487 -9.049 -5.218
118 H THR 17 H THR 17 -4.588 -10.916 -8.028
119 HA THR 17 HA THR 17 -6.480 -11.744 -9.846
120 HB THR 17 HB THR 17 -5.566 -13.953 -9.704
121 HG1 THR 17 HG1 THR 17 -5.327 -14.637 -7.704
122 HG21 THR 17 HG21 THR 17 -4.088 -12.123 -10.566
123 HG22 THR 17 HG22 THR 17 -3.220 -13.527 -9.946
124 HG23 THR 17 HG23 THR 17 -3.332 -12.060 -8.974
125 H GLU 18 H GLU 18 -6.428 -12.244 -6.356
126 HA GLU 18 HA GLU 18 -8.586 -14.058 -6.225
127 HB2 GLU 18 HB2 GLU 18 -7.124 -12.333 -4.303
128 HB3 GLU 18 HB3 GLU 18 -8.727 -12.870 -3.819
129 HG2 GLU 18 HG2 GLU 18 -7.863 -15.218 -4.504
130 HG3 GLU 18 HG3 GLU 18 -6.271 -14.480 -4.341
131 H ARG 19 H ARG 19 -8.576 -10.616 -5.277
132 HA ARG 19 HA ARG 19 -11.380 -10.388 -5.187
133 HB2 ARG 19 HB2 ARG 19 -9.525 -8.847 -4.205
134 HB3 ARG 19 HB3 ARG 19 -9.592 -8.050 -5.771
135 HG2 ARG 19 HG2 ARG 19 -11.072 -6.774 -4.600
136 HG3 ARG 19 HG3 ARG 19 -12.169 -7.986 -5.266
137 HD2 ARG 19 HD2 ARG 19 -11.733 -9.283 -3.095
138 HD3 ARG 19 HD3 ARG 19 -11.073 -7.768 -2.481
139 HE ARG 19 HE ARG 19 -13.821 -8.422 -2.806
140 HH11 ARG 19 HH11 ARG 19 -11.551 -5.788 -2.969
141 HH12 ARG 19 HH12 ARG 19 -12.734 -4.575 -2.609
142 HH21 ARG 19 HH21 ARG 19 -15.388 -6.834 -2.332
143 HH22 ARG 19 HH22 ARG 19 -14.916 -5.170 -2.246
Start of MODEL 18
1 H1 LYS 1 H1 LYS 1 0.289 -0.343 -4.535
2 HA LYS 1 HA LYS 1 1.400 -2.896 -5.399
3 HB2 LYS 1 HB2 LYS 1 3.651 -2.189 -4.425
4 HB3 LYS 1 HB3 LYS 1 3.225 -1.532 -6.000
5 HG2 LYS 1 HG2 LYS 1 2.485 0.076 -3.630
6 HG3 LYS 1 HG3 LYS 1 4.201 -0.039 -4.027
7 HD2 LYS 1 HD2 LYS 1 2.244 0.589 -6.191
8 HD3 LYS 1 HD3 LYS 1 2.713 1.859 -5.059
9 HE2 LYS 1 HE2 LYS 1 5.006 1.658 -5.662
10 HE3 LYS 1 HE3 LYS 1 4.700 0.183 -6.577
11 HZ1 LYS 1 HZ1 LYS 1 4.831 1.786 -8.209
12 HZ2 LYS 1 HZ2 LYS 1 4.048 2.966 -7.284
13 HZ3 LYS 1 HZ3 LYS 1 3.161 1.693 -7.958
14 H GLY 2 H GLY 2 2.447 -4.064 -3.550
15 HA2 GLY 2 HA2 GLY 2 2.383 -4.885 -1.406
16 HA3 GLY 2 HA3 GLY 2 2.057 -3.242 -0.875
17 H CYS 3 H CYS 3 0.647 -6.389 -1.693
18 HA CYS 3 HA CYS 3 -2.027 -5.419 -1.502
19 HB2 CYS 3 HB2 CYS 3 -0.909 -7.632 -2.638
20 HB3 CYS 3 HB3 CYS 3 -1.525 -8.320 -1.148
21 H TRP 4 H TRP 4 -3.214 -7.292 0.126
22 HA TRP 4 HA TRP 4 -2.151 -6.618 2.789
23 HB2 TRP 4 HB2 TRP 4 -4.463 -6.781 3.606
24 HB3 TRP 4 HB3 TRP 4 -4.323 -5.587 2.319
25 HD1 TRP 4 HD1 TRP 4 -5.220 -6.434 -0.172
26 HE1 TRP 4 HE1 TRP 4 -7.194 -7.987 -0.734
27 HE3 TRP 4 HE3 TRP 4 -5.791 -8.700 4.375
28 HZ2 TRP 4 HZ2 TRP 4 -8.784 -9.917 0.577
29 HZ3 TRP 4 HZ3 TRP 4 -7.562 -10.387 4.638
30 HH2 TRP 4 HH2 TRP 4 -9.027 -10.981 2.777
31 H LYS 5 H LYS 5 -3.103 -9.160 0.666
32 HA LYS 5 HA LYS 5 -2.609 -11.118 2.813
33 HB2 LYS 5 HB2 LYS 5 -4.232 -12.581 1.920
34 HB3 LYS 5 HB3 LYS 5 -4.995 -10.996 1.927
35 HG2 LYS 5 HG2 LYS 5 -3.636 -12.125 -0.502
36 HG3 LYS 5 HG3 LYS 5 -5.339 -12.411 -0.136
37 HD2 LYS 5 HD2 LYS 5 -4.994 -9.661 0.159
38 HD3 LYS 5 HD3 LYS 5 -4.065 -10.083 -1.282
39 HE2 LYS 5 HE2 LYS 5 -6.986 -10.574 -0.745
40 HE3 LYS 5 HE3 LYS 5 -6.269 -9.567 -2.002
41 HZ1 LYS 5 HZ1 LYS 5 -6.616 -12.456 -1.910
42 HZ2 LYS 5 HZ2 LYS 5 -5.179 -11.898 -2.606
43 HZ3 LYS 5 HZ3 LYS 5 -6.670 -11.400 -3.231
44 H CYS 6 H CYS 6 -2.053 -10.151 -0.488
45 HA CYS 6 HA CYS 6 -0.691 -12.506 -1.319
46 HB2 CYS 6 HB2 CYS 6 -0.471 -9.697 -2.421
47 HB3 CYS 6 HB3 CYS 6 0.038 -11.173 -3.234
48 H GLY 7 H GLY 7 1.168 -13.201 -0.505
49 HA2 GLY 7 HA2 GLY 7 2.934 -11.482 0.961
50 HA3 GLY 7 HA3 GLY 7 3.198 -13.181 0.595
51 H LYS 8 H LYS 8 2.526 -11.907 -2.302
52 HA LYS 8 HA LYS 8 5.284 -11.898 -3.107
53 HB2 LYS 8 HB2 LYS 8 4.283 -11.342 -5.372
54 HB3 LYS 8 HB3 LYS 8 3.773 -12.864 -4.654
55 HG2 LYS 8 HG2 LYS 8 1.646 -12.069 -4.168
56 HG3 LYS 8 HG3 LYS 8 2.145 -10.380 -4.292
57 HD2 LYS 8 HD2 LYS 8 2.280 -12.190 -6.676
58 HD3 LYS 8 HD3 LYS 8 0.756 -11.429 -6.211
59 HE2 LYS 8 HE2 LYS 8 3.342 -9.999 -6.822
60 HE3 LYS 8 HE3 LYS 8 1.941 -10.102 -7.887
61 HZ1 LYS 8 HZ1 LYS 8 1.480 -8.132 -6.920
62 HZ2 LYS 8 HZ2 LYS 8 2.350 -8.473 -5.510
63 HZ3 LYS 8 HZ3 LYS 8 0.797 -9.110 -5.720
64 H GLU 9 H GLU 9 2.761 -9.492 -2.631
65 HA GLU 9 HA GLU 9 2.790 -7.216 -2.603
66 HB2 GLU 9 HB2 GLU 9 5.641 -7.833 -1.851
67 HB3 GLU 9 HB3 GLU 9 5.024 -6.188 -1.908
68 HG2 GLU 9 HG2 GLU 9 4.605 -6.570 0.263
69 HG3 GLU 9 HG3 GLU 9 3.140 -7.314 -0.374
70 H GLY 10 H GLY 10 2.308 -6.734 -4.718
71 HA2 GLY 10 HA2 GLY 10 4.494 -5.612 -6.267
72 HA3 GLY 10 HA3 GLY 10 3.670 -6.973 -7.014
73 H HIS 11 H HIS 11 1.049 -6.440 -6.188
74 HA HIS 11 HA HIS 11 0.501 -3.967 -7.691
75 HB2 HIS 11 HB2 HIS 11 -1.692 -5.020 -8.248
76 HB3 HIS 11 HB3 HIS 11 -0.307 -5.901 -8.887
77 HD1 HIS 11 HD1 HIS 11 -0.161 -8.322 -8.309
78 HD2 HIS 11 HD2 HIS 11 -2.828 -6.276 -5.866
79 HE1 HIS 11 HE1 HIS 11 -1.295 -10.088 -6.923
80 H GLN 12 H GLN 12 -2.058 -3.463 -7.151
81 HA GLN 12 HA GLN 12 -2.013 -2.871 -4.280
82 HB2 GLN 12 HB2 GLN 12 -2.224 -0.887 -5.561
83 HB3 GLN 12 HB3 GLN 12 -3.441 -1.602 -6.609
84 HG2 GLN 12 HG2 GLN 12 -5.125 -1.305 -5.097
85 HG3 GLN 12 HG3 GLN 12 -4.038 -1.359 -3.710
86 HE21 GLN 12 HE21 GLN 12 -5.593 0.613 -6.036
87 HE22 GLN 12 HE22 GLN 12 -5.016 2.137 -5.462
88 H MET 13 H MET 13 -3.800 -3.259 -2.956
89 HA MET 13 HA MET 13 -5.152 -5.650 -3.307
90 HB2 MET 13 HB2 MET 13 -6.659 -4.847 -1.480
91 HB3 MET 13 HB3 MET 13 -4.945 -4.698 -1.116
92 HG2 MET 13 HG2 MET 13 -5.105 -2.299 -1.831
93 HG3 MET 13 HG3 MET 13 -6.852 -2.515 -1.903
94 HE1 MET 13 HE1 MET 13 -8.196 -1.588 0.800
95 HE2 MET 13 HE2 MET 13 -8.300 -2.954 -0.310
96 HE3 MET 13 HE3 MET 13 -8.052 -3.235 1.414
97 H LYS 14 H LYS 14 -6.286 -2.346 -3.931
98 HA LYS 14 HA LYS 14 -8.910 -2.911 -4.642
99 HB2 LYS 14 HB2 LYS 14 -7.826 -0.635 -4.341
100 HB3 LYS 14 HB3 LYS 14 -7.208 -0.808 -5.978
101 HG2 LYS 14 HG2 LYS 14 -10.130 -1.112 -5.454
102 HG3 LYS 14 HG3 LYS 14 -9.409 0.496 -5.554
103 HD2 LYS 14 HD2 LYS 14 -8.340 -0.616 -7.752
104 HD3 LYS 14 HD3 LYS 14 -9.848 -1.530 -7.664
105 HE2 LYS 14 HE2 LYS 14 -9.847 1.455 -7.413
106 HE3 LYS 14 HE3 LYS 14 -9.791 0.687 -8.999
107 HZ1 LYS 14 HZ1 LYS 14 -11.805 -0.466 -7.350
108 HZ2 LYS 14 HZ2 LYS 14 -11.945 0.226 -8.887
109 HZ3 LYS 14 HZ3 LYS 14 -12.034 1.203 -7.509
110 H ASP 15 H ASP 15 -5.953 -3.212 -6.504
111 HA ASP 15 HA ASP 15 -7.486 -4.043 -8.862
112 HB2 ASP 15 HB2 ASP 15 -5.487 -2.347 -8.871
113 HB3 ASP 15 HB3 ASP 15 -4.499 -3.804 -8.826
114 H CYS 16 H CYS 16 -6.624 -5.518 -6.208
115 HA CYS 16 HA CYS 16 -5.060 -7.724 -7.106
116 HB2 CYS 16 HB2 CYS 16 -5.159 -7.046 -4.738
117 HB3 CYS 16 HB3 CYS 16 -6.860 -7.498 -4.685
118 H THR 17 H THR 17 -5.700 -9.834 -7.568
119 HA THR 17 HA THR 17 -8.350 -10.044 -8.742
120 HB THR 17 HB THR 17 -7.595 -12.030 -9.820
121 HG1 THR 17 HG1 THR 17 -6.500 -13.144 -8.270
122 HG21 THR 17 HG21 THR 17 -5.361 -10.004 -9.696
123 HG22 THR 17 HG22 THR 17 -6.711 -10.025 -10.830
124 HG23 THR 17 HG23 THR 17 -5.481 -11.287 -10.900
125 H GLU 18 H GLU 18 -8.668 -9.857 -6.074
126 HA GLU 18 HA GLU 18 -8.785 -12.490 -4.879
127 HB2 GLU 18 HB2 GLU 18 -9.433 -11.409 -2.882
128 HB3 GLU 18 HB3 GLU 18 -8.251 -10.342 -3.628
129 HG2 GLU 18 HG2 GLU 18 -9.845 -8.835 -3.014
130 HG3 GLU 18 HG3 GLU 18 -10.374 -9.208 -4.653
131 H ARG 19 H ARG 19 -10.828 -13.260 -3.874
132 HA ARG 19 HA ARG 19 -12.923 -13.259 -5.848
133 HB2 ARG 19 HB2 ARG 19 -12.455 -14.706 -3.261
134 HB3 ARG 19 HB3 ARG 19 -14.033 -14.760 -4.036
135 HG2 ARG 19 HG2 ARG 19 -13.075 -16.640 -4.904
136 HG3 ARG 19 HG3 ARG 19 -12.628 -15.459 -6.136
137 HD2 ARG 19 HD2 ARG 19 -10.449 -15.163 -5.012
138 HD3 ARG 19 HD3 ARG 19 -10.903 -16.414 -3.854
139 HE ARG 19 HE ARG 19 -11.191 -17.644 -6.249
140 HH11 ARG 19 HH11 ARG 19 -8.597 -15.862 -4.761
141 HH12 ARG 19 HH12 ARG 19 -7.348 -16.746 -5.574
142 HH21 ARG 19 HH21 ARG 19 -9.556 -18.815 -7.326
143 HH22 ARG 19 HH22 ARG 19 -7.895 -18.425 -7.033
Start of MODEL 19
1 H1 LYS 1 H1 LYS 1 3.559 -0.613 -0.543
2 HA LYS 1 HA LYS 1 1.897 -0.419 -2.101
3 HB2 LYS 1 HB2 LYS 1 4.060 -0.824 -4.174
4 HB3 LYS 1 HB3 LYS 1 2.429 -0.236 -4.468
5 HG2 LYS 1 HG2 LYS 1 3.170 1.604 -2.717
6 HG3 LYS 1 HG3 LYS 1 4.772 1.159 -3.307
7 HD2 LYS 1 HD2 LYS 1 4.244 2.806 -4.805
8 HD3 LYS 1 HD3 LYS 1 3.591 1.405 -5.657
9 HE2 LYS 1 HE2 LYS 1 1.413 1.982 -5.213
10 HE3 LYS 1 HE3 LYS 1 1.834 2.872 -3.750
11 HZ1 LYS 1 HZ1 LYS 1 2.025 3.745 -6.561
12 HZ2 LYS 1 HZ2 LYS 1 2.970 4.482 -5.367
13 HZ3 LYS 1 HZ3 LYS 1 1.283 4.523 -5.254
14 H GLY 2 H GLY 2 2.915 -2.950 -0.933
15 HA2 GLY 2 HA2 GLY 2 2.303 -4.908 -3.015
16 HA3 GLY 2 HA3 GLY 2 2.912 -5.260 -1.405
17 H CYS 3 H CYS 3 0.920 -6.915 -2.194
18 HA CYS 3 HA CYS 3 -1.650 -5.890 -1.748
19 HB2 CYS 3 HB2 CYS 3 -0.647 -8.233 -2.747
20 HB3 CYS 3 HB3 CYS 3 -1.226 -8.763 -1.180
21 H TRP 4 H TRP 4 -2.738 -7.651 0.102
22 HA TRP 4 HA TRP 4 -1.513 -6.757 2.627
23 HB2 TRP 4 HB2 TRP 4 -3.778 -6.871 3.598
24 HB3 TRP 4 HB3 TRP 4 -3.704 -5.754 2.237
25 HD1 TRP 4 HD1 TRP 4 -4.787 -6.684 -0.126
26 HE1 TRP 4 HE1 TRP 4 -6.777 -8.274 -0.496
27 HE3 TRP 4 HE3 TRP 4 -5.004 -8.807 4.520
28 HZ2 TRP 4 HZ2 TRP 4 -8.245 -10.175 0.986
29 HZ3 TRP 4 HZ3 TRP 4 -6.731 -10.503 4.962
30 HH2 TRP 4 HH2 TRP 4 -8.318 -11.171 3.231
31 H LYS 5 H LYS 5 -2.543 -9.462 0.775
32 HA LYS 5 HA LYS 5 -1.925 -11.237 3.045
33 HB2 LYS 5 HB2 LYS 5 -3.599 -12.759 2.395
34 HB3 LYS 5 HB3 LYS 5 -4.364 -11.180 2.281
35 HG2 LYS 5 HG2 LYS 5 -3.149 -12.597 -0.075
36 HG3 LYS 5 HG3 LYS 5 -4.843 -12.756 0.393
37 HD2 LYS 5 HD2 LYS 5 -4.424 -10.023 0.367
38 HD3 LYS 5 HD3 LYS 5 -3.491 -10.601 -1.016
39 HE2 LYS 5 HE2 LYS 5 -6.423 -11.007 -0.464
40 HE3 LYS 5 HE3 LYS 5 -5.690 -10.107 -1.790
41 HZ1 LYS 5 HZ1 LYS 5 -6.168 -12.055 -2.834
42 HZ2 LYS 5 HZ2 LYS 5 -5.979 -12.999 -1.443
43 HZ3 LYS 5 HZ3 LYS 5 -4.617 -12.435 -2.274
44 H CYS 6 H CYS 6 -1.640 -10.598 -0.382
45 HA CYS 6 HA CYS 6 -0.384 -12.971 -1.185
46 HB2 CYS 6 HB2 CYS 6 -0.033 -10.169 -2.272
47 HB3 CYS 6 HB3 CYS 6 0.473 -11.644 -3.088
48 H GLY 7 H GLY 7 1.203 -9.824 -0.597
49 HA2 GLY 7 HA2 GLY 7 3.126 -9.489 0.734
50 HA3 GLY 7 HA3 GLY 7 3.405 -11.224 0.726
51 H LYS 8 H LYS 8 3.093 -11.466 -2.163
52 HA LYS 8 HA LYS 8 5.721 -11.284 -2.983
53 HB2 LYS 8 HB2 LYS 8 4.709 -11.288 -5.347
54 HB3 LYS 8 HB3 LYS 8 4.332 -12.642 -4.290
55 HG2 LYS 8 HG2 LYS 8 2.143 -12.055 -4.084
56 HG3 LYS 8 HG3 LYS 8 2.469 -10.334 -4.298
57 HD2 LYS 8 HD2 LYS 8 2.874 -12.243 -6.568
58 HD3 LYS 8 HD3 LYS 8 1.257 -11.650 -6.181
59 HE2 LYS 8 HE2 LYS 8 3.666 -9.943 -6.801
60 HE3 LYS 8 HE3 LYS 8 2.334 -10.284 -7.904
61 HZ1 LYS 8 HZ1 LYS 8 1.512 -8.386 -7.082
62 HZ2 LYS 8 HZ2 LYS 8 2.465 -8.435 -5.686
63 HZ3 LYS 8 HZ3 LYS 8 1.035 -9.334 -5.765
64 H GLU 9 H GLU 9 3.247 -8.829 -2.974
65 HA GLU 9 HA GLU 9 3.292 -6.597 -3.414
66 HB2 GLU 9 HB2 GLU 9 6.293 -6.942 -3.304
67 HB3 GLU 9 HB3 GLU 9 5.421 -5.420 -3.184
68 HG2 GLU 9 HG2 GLU 9 4.297 -6.981 -1.202
69 HG3 GLU 9 HG3 GLU 9 6.011 -7.390 -1.147
70 H GLY 10 H GLY 10 2.475 -6.335 -5.417
71 HA2 GLY 10 HA2 GLY 10 4.253 -5.671 -7.552
72 HA3 GLY 10 HA3 GLY 10 3.476 -7.224 -7.824
73 H HIS 11 H HIS 11 0.970 -6.618 -6.648
74 HA HIS 11 HA HIS 11 -0.035 -4.544 -8.484
75 HB2 HIS 11 HB2 HIS 11 -2.110 -5.915 -8.690
76 HB3 HIS 11 HB3 HIS 11 -0.681 -6.698 -9.359
77 HD1 HIS 11 HD1 HIS 11 -0.129 -8.976 -8.488
78 HD2 HIS 11 HD2 HIS 11 -2.900 -6.998 -6.107
79 HE1 HIS 11 HE1 HIS 11 -0.907 -10.676 -6.807
80 H GLN 12 H GLN 12 -2.577 -4.276 -7.752
81 HA GLN 12 HA GLN 12 -2.364 -3.315 -4.992
82 HB2 GLN 12 HB2 GLN 12 -2.960 -1.562 -6.472
83 HB3 GLN 12 HB3 GLN 12 -4.154 -2.558 -7.293
84 HG2 GLN 12 HG2 GLN 12 -5.728 -2.260 -5.674
85 HG3 GLN 12 HG3 GLN 12 -4.532 -2.028 -4.399
86 HE21 GLN 12 HE21 GLN 12 -4.120 -0.027 -3.754
87 HE22 GLN 12 HE22 GLN 12 -4.615 1.414 -4.567
88 H MET 13 H MET 13 -3.958 -3.740 -3.449
89 HA MET 13 HA MET 13 -5.023 -6.318 -3.424
90 HB2 MET 13 HB2 MET 13 -6.318 -5.560 -1.451
91 HB3 MET 13 HB3 MET 13 -4.620 -5.111 -1.368
92 HG2 MET 13 HG2 MET 13 -5.587 -2.893 -2.493
93 HG3 MET 13 HG3 MET 13 -7.023 -3.417 -1.617
94 HE1 MET 13 HE1 MET 13 -6.248 -1.097 1.202
95 HE2 MET 13 HE2 MET 13 -6.770 -0.990 -0.480
96 HE3 MET 13 HE3 MET 13 -7.457 -2.221 0.580
97 H LYS 14 H LYS 14 -6.549 -3.220 -4.203
98 HA LYS 14 HA LYS 14 -9.181 -4.103 -4.470
99 HB2 LYS 14 HB2 LYS 14 -8.226 -1.706 -4.531
100 HB3 LYS 14 HB3 LYS 14 -7.988 -1.992 -6.250
101 HG2 LYS 14 HG2 LYS 14 -10.669 -2.526 -5.082
102 HG3 LYS 14 HG3 LYS 14 -10.171 -0.852 -5.341
103 HD2 LYS 14 HD2 LYS 14 -9.714 -2.729 -7.581
104 HD3 LYS 14 HD3 LYS 14 -11.395 -2.333 -7.216
105 HE2 LYS 14 HE2 LYS 14 -9.259 -0.245 -7.584
106 HE3 LYS 14 HE3 LYS 14 -10.240 -0.856 -8.915
107 HZ1 LYS 14 HZ1 LYS 14 -10.936 0.988 -6.815
108 HZ2 LYS 14 HZ2 LYS 14 -12.092 -0.222 -7.061
109 HZ3 LYS 14 HZ3 LYS 14 -11.629 0.779 -8.344
110 H ASP 15 H ASP 15 -6.507 -4.142 -6.767
111 HA ASP 15 HA ASP 15 -8.207 -5.329 -8.820
112 HB2 ASP 15 HB2 ASP 15 -5.262 -4.653 -8.954
113 HB3 ASP 15 HB3 ASP 15 -6.311 -5.063 -10.308
114 H CYS 16 H CYS 16 -6.658 -6.447 -6.191
115 HA CYS 16 HA CYS 16 -5.134 -8.622 -7.083
116 HB2 CYS 16 HB2 CYS 16 -5.131 -7.784 -4.754
117 HB3 CYS 16 HB3 CYS 16 -6.762 -8.412 -4.541
118 H THR 17 H THR 17 -5.623 -10.836 -7.271
119 HA THR 17 HA THR 17 -7.845 -11.517 -8.743
120 HB THR 17 HB THR 17 -6.057 -13.049 -8.783
121 HG1 THR 17 HG1 THR 17 -7.163 -14.995 -7.696
122 HG21 THR 17 HG21 THR 17 -6.349 -13.197 -5.784
123 HG22 THR 17 HG22 THR 17 -4.976 -12.577 -6.700
124 HG23 THR 17 HG23 THR 17 -5.348 -14.301 -6.726
125 H GLU 18 H GLU 18 -7.531 -11.251 -5.292
126 HA GLU 18 HA GLU 18 -9.582 -12.814 -4.344
127 HB2 GLU 18 HB2 GLU 18 -9.607 -11.463 -2.414
128 HB3 GLU 18 HB3 GLU 18 -7.965 -11.344 -3.032
129 HG2 GLU 18 HG2 GLU 18 -8.539 -9.194 -4.078
130 HG3 GLU 18 HG3 GLU 18 -10.154 -9.309 -3.383
131 H ARG 19 H ARG 19 -11.785 -12.418 -3.837
132 HA ARG 19 HA ARG 19 -13.057 -10.368 -5.530
133 HB2 ARG 19 HB2 ARG 19 -13.768 -13.246 -5.085
134 HB3 ARG 19 HB3 ARG 19 -15.027 -12.086 -5.486
135 HG2 ARG 19 HG2 ARG 19 -14.143 -11.667 -7.596
136 HG3 ARG 19 HG3 ARG 19 -12.562 -12.324 -7.166
137 HD2 ARG 19 HD2 ARG 19 -15.004 -14.060 -7.164
138 HD3 ARG 19 HD3 ARG 19 -14.138 -13.724 -8.662
139 HE ARG 19 HE ARG 19 -13.281 -15.425 -6.505
140 HH11 ARG 19 HH11 ARG 19 -12.273 -13.519 -9.238
141 HH12 ARG 19 HH12 ARG 19 -10.798 -14.398 -9.473
142 HH21 ARG 19 HH21 ARG 19 -11.342 -16.589 -6.803
143 HH22 ARG 19 HH22 ARG 19 -10.270 -16.144 -8.088
Start of MODEL 20
1 H1 LYS 1 H1 LYS 1 1.823 -0.526 0.333
2 HA LYS 1 HA LYS 1 1.060 0.510 -2.287
3 HB2 LYS 1 HB2 LYS 1 3.657 -0.782 -1.437
4 HB3 LYS 1 HB3 LYS 1 3.361 0.093 -2.933
5 HG2 LYS 1 HG2 LYS 1 4.404 1.717 -1.733
6 HG3 LYS 1 HG3 LYS 1 2.731 2.039 -1.271
7 HD2 LYS 1 HD2 LYS 1 3.012 1.210 0.847
8 HD3 LYS 1 HD3 LYS 1 4.300 0.105 0.360
9 HE2 LYS 1 HE2 LYS 1 5.172 1.904 1.754
10 HE3 LYS 1 HE3 LYS 1 5.832 1.995 0.122
11 HZ1 LYS 1 HZ1 LYS 1 3.422 3.517 0.456
12 HZ2 LYS 1 HZ2 LYS 1 4.907 3.980 -0.207
13 HZ3 LYS 1 HZ3 LYS 1 4.673 4.041 1.467
14 H GLY 2 H GLY 2 2.685 -2.491 -1.239
15 HA2 GLY 2 HA2 GLY 2 1.785 -3.945 -3.515
16 HA3 GLY 2 HA3 GLY 2 2.567 -4.624 -2.095
17 H CYS 3 H CYS 3 0.865 -6.403 -2.788
18 HA CYS 3 HA CYS 3 -1.831 -5.861 -2.278
19 HB2 CYS 3 HB2 CYS 3 -0.348 -8.015 -3.266
20 HB3 CYS 3 HB3 CYS 3 -1.066 -8.638 -1.794
21 H TRP 4 H TRP 4 -2.720 -7.673 -0.493
22 HA TRP 4 HA TRP 4 -1.484 -6.869 2.059
23 HB2 TRP 4 HB2 TRP 4 -3.674 -6.883 3.068
24 HB3 TRP 4 HB3 TRP 4 -3.741 -5.891 1.614
25 HD1 TRP 4 HD1 TRP 4 -5.400 -6.617 -0.271
26 HE1 TRP 4 HE1 TRP 4 -7.164 -8.481 -0.474
27 HE3 TRP 4 HE3 TRP 4 -4.116 -9.398 3.822
28 HZ2 TRP 4 HZ2 TRP 4 -7.912 -10.820 0.918
29 HZ3 TRP 4 HZ3 TRP 4 -5.407 -11.434 4.317
30 HH2 TRP 4 HH2 TRP 4 -7.265 -12.128 2.894
31 H LYS 5 H LYS 5 -2.458 -9.469 0.065
32 HA LYS 5 HA LYS 5 -1.970 -11.366 2.269
33 HB2 LYS 5 HB2 LYS 5 -3.477 -12.916 1.272
34 HB3 LYS 5 HB3 LYS 5 -4.305 -11.365 1.312
35 HG2 LYS 5 HG2 LYS 5 -2.817 -12.255 -1.128
36 HG3 LYS 5 HG3 LYS 5 -4.468 -12.793 -0.812
37 HD2 LYS 5 HD2 LYS 5 -4.474 -10.026 -0.374
38 HD3 LYS 5 HD3 LYS 5 -3.532 -10.275 -1.846
39 HE2 LYS 5 HE2 LYS 5 -5.340 -11.501 -2.854
40 HE3 LYS 5 HE3 LYS 5 -6.263 -11.454 -1.353
41 HZ1 LYS 5 HZ1 LYS 5 -7.142 -9.551 -2.014
42 HZ2 LYS 5 HZ2 LYS 5 -6.218 -9.569 -3.430
43 HZ3 LYS 5 HZ3 LYS 5 -5.612 -8.829 -2.035
44 H CYS 6 H CYS 6 -1.192 -10.384 -0.963
45 HA CYS 6 HA CYS 6 0.249 -12.738 -1.696
46 HB2 CYS 6 HB2 CYS 6 0.378 -9.930 -2.817
47 HB3 CYS 6 HB3 CYS 6 1.107 -11.351 -3.558
48 H GLY 7 H GLY 7 1.465 -9.430 -1.115
49 HA2 GLY 7 HA2 GLY 7 3.215 -8.895 0.405
50 HA3 GLY 7 HA3 GLY 7 3.710 -10.581 0.383
51 H LYS 8 H LYS 8 3.646 -10.819 -2.504
52 HA LYS 8 HA LYS 8 6.273 -10.240 -3.134
53 HB2 LYS 8 HB2 LYS 8 5.460 -10.414 -5.559
54 HB3 LYS 8 HB3 LYS 8 5.191 -11.801 -4.512
55 HG2 LYS 8 HG2 LYS 8 2.933 -11.530 -4.495
56 HG3 LYS 8 HG3 LYS 8 3.029 -9.780 -4.705
57 HD2 LYS 8 HD2 LYS 8 3.922 -11.570 -6.921
58 HD3 LYS 8 HD3 LYS 8 2.195 -11.315 -6.660
59 HE2 LYS 8 HE2 LYS 8 4.251 -9.148 -7.086
60 HE3 LYS 8 HE3 LYS 8 3.120 -9.742 -8.301
61 HZ1 LYS 8 HZ1 LYS 8 1.473 -9.107 -6.284
62 HZ2 LYS 8 HZ2 LYS 8 1.850 -8.069 -7.565
63 HZ3 LYS 8 HZ3 LYS 8 2.673 -7.929 -6.094
64 H GLU 9 H GLU 9 3.459 -8.196 -3.312
65 HA GLU 9 HA GLU 9 3.189 -5.984 -3.768
66 HB2 GLU 9 HB2 GLU 9 6.196 -5.844 -3.490
67 HB3 GLU 9 HB3 GLU 9 5.076 -4.492 -3.398
68 HG2 GLU 9 HG2 GLU 9 4.263 -6.447 -1.508
69 HG3 GLU 9 HG3 GLU 9 5.993 -6.171 -1.317
70 H GLY 10 H GLY 10 2.461 -5.921 -5.831
71 HA2 GLY 10 HA2 GLY 10 4.286 -5.013 -7.861
72 HA3 GLY 10 HA3 GLY 10 3.679 -6.634 -8.163
73 H HIS 11 H HIS 11 1.071 -6.371 -7.226
74 HA HIS 11 HA HIS 11 -0.033 -4.365 -9.082
75 HB2 HIS 11 HB2 HIS 11 -1.946 -5.958 -9.392
76 HB3 HIS 11 HB3 HIS 11 -0.409 -6.544 -10.020
77 HD1 HIS 11 HD1 HIS 11 0.378 -8.763 -9.182
78 HD2 HIS 11 HD2 HIS 11 -2.690 -7.192 -6.862
79 HE1 HIS 11 HE1 HIS 11 -0.248 -10.588 -7.568
80 H GLN 12 H GLN 12 -2.628 -4.368 -8.512
81 HA GLN 12 HA GLN 12 -2.688 -3.349 -5.774
82 HB2 GLN 12 HB2 GLN 12 -3.500 -1.764 -7.335
83 HB3 GLN 12 HB3 GLN 12 -4.484 -2.966 -8.160
84 HG2 GLN 12 HG2 GLN 12 -6.152 -2.873 -6.614
85 HG3 GLN 12 HG3 GLN 12 -5.064 -2.415 -5.304
86 HE21 GLN 12 HE21 GLN 12 -4.963 -0.348 -4.735
87 HE22 GLN 12 HE22 GLN 12 -5.661 0.968 -5.610
88 H MET 13 H MET 13 -4.244 -3.969 -4.262
89 HA MET 13 HA MET 13 -4.943 -6.699 -4.262
90 HB2 MET 13 HB2 MET 13 -6.189 -6.181 -2.207
91 HB3 MET 13 HB3 MET 13 -4.585 -5.461 -2.193
92 HG2 MET 13 HG2 MET 13 -5.790 -3.355 -3.091
93 HG3 MET 13 HG3 MET 13 -7.245 -4.140 -2.480
94 HE1 MET 13 HE1 MET 13 -4.129 -1.828 -0.274
95 HE2 MET 13 HE2 MET 13 -3.432 -3.316 -0.914
96 HE3 MET 13 HE3 MET 13 -4.252 -2.190 -1.996
97 H LYS 14 H LYS 14 -6.793 -3.771 -4.957
98 HA LYS 14 HA LYS 14 -9.342 -4.888 -5.114
99 HB2 LYS 14 HB2 LYS 14 -8.636 -2.420 -5.220
100 HB3 LYS 14 HB3 LYS 14 -8.389 -2.691 -6.940
101 HG2 LYS 14 HG2 LYS 14 -10.997 -3.443 -5.710
102 HG3 LYS 14 HG3 LYS 14 -10.652 -1.745 -6.050
103 HD2 LYS 14 HD2 LYS 14 -9.949 -2.682 -8.398
104 HD3 LYS 14 HD3 LYS 14 -10.982 -4.037 -7.936
105 HE2 LYS 14 HE2 LYS 14 -11.953 -1.210 -7.709
106 HE3 LYS 14 HE3 LYS 14 -12.014 -2.065 -9.250
107 HZ1 LYS 14 HZ1 LYS 14 -13.802 -3.168 -8.590
108 HZ2 LYS 14 HZ2 LYS 14 -13.861 -2.190 -7.212
109 HZ3 LYS 14 HZ3 LYS 14 -13.055 -3.676 -7.160
110 H ASP 15 H ASP 15 -6.739 -4.785 -7.475
111 HA ASP 15 HA ASP 15 -8.410 -6.090 -9.480
112 HB2 ASP 15 HB2 ASP 15 -5.528 -5.184 -9.650
113 HB3 ASP 15 HB3 ASP 15 -6.508 -5.772 -10.990
114 H CYS 16 H CYS 16 -6.313 -6.929 -6.980
115 HA CYS 16 HA CYS 16 -4.868 -9.084 -7.906
116 HB2 CYS 16 HB2 CYS 16 -4.717 -8.152 -5.612
117 HB3 CYS 16 HB3 CYS 16 -6.266 -8.896 -5.230
118 H THR 17 H THR 17 -5.231 -11.346 -7.914
119 HA THR 17 HA THR 17 -7.476 -12.243 -9.202
120 HB THR 17 HB THR 17 -5.650 -13.712 -9.216
121 HG1 THR 17 HG1 THR 17 -6.602 -15.604 -8.594
122 HG21 THR 17 HG21 THR 17 -4.747 -14.728 -7.103
123 HG22 THR 17 HG22 THR 17 -5.728 -13.572 -6.203
124 HG23 THR 17 HG23 THR 17 -4.450 -12.999 -7.275
125 H GLU 18 H GLU 18 -6.926 -12.014 -5.728
126 HA GLU 18 HA GLU 18 -9.297 -13.393 -4.970
127 HB2 GLU 18 HB2 GLU 18 -7.677 -11.393 -3.384
128 HB3 GLU 18 HB3 GLU 18 -8.856 -12.522 -2.731
129 HG2 GLU 18 HG2 GLU 18 -6.129 -13.061 -3.819
130 HG3 GLU 18 HG3 GLU 18 -6.834 -13.543 -2.277
131 H ARG 19 H ARG 19 -10.664 -11.913 -3.218
132 HA ARG 19 HA ARG 19 -11.352 -9.309 -4.116
133 HB2 ARG 19 HB2 ARG 19 -13.592 -9.794 -4.987
134 HB3 ARG 19 HB3 ARG 19 -12.345 -10.545 -5.974
135 HG2 ARG 19 HG2 ARG 19 -13.728 -12.317 -5.833
136 HG3 ARG 19 HG3 ARG 19 -12.865 -12.578 -4.316
137 HD2 ARG 19 HD2 ARG 19 -14.992 -12.688 -3.524
138 HD3 ARG 19 HD3 ARG 19 -14.756 -10.944 -3.413
139 HE ARG 19 HE ARG 19 -15.832 -11.742 -5.937
140 HH11 ARG 19 HH11 ARG 19 -16.634 -11.053 -2.620
141 HH12 ARG 19 HH12 ARG 19 -18.275 -10.621 -2.970
142 HH21 ARG 19 HH21 ARG 19 -17.990 -11.176 -6.411
143 HH22 ARG 19 HH22 ARG 19 -19.046 -10.692 -5.127
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