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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12389 |
1sx0   |
6191 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 11.394 -4.866 3.674
2 2H LYS 1 2HT LYS 1 11.234 -5.745 2.208
3 3H LYS 1 3HT LYS 1 9.836 -5.284 3.092
4 HA LYS 1 HA LYS 1 10.614 -2.939 2.771
5 1HB LYS 1 2HB LYS 1 12.867 -4.002 1.918
6 2HB LYS 1 1HB LYS 1 12.019 -4.067 0.379
7 1HG LYS 1 2HG LYS 1 12.100 -1.834 0.084
8 2HG LYS 1 1HG LYS 1 11.919 -1.489 1.805
9 1HD LYS 1 2HD LYS 1 14.106 -0.802 1.245
10 2HD LYS 1 1HD LYS 1 14.292 -2.347 2.077
11 1HE LYS 1 2HE LYS 1 15.591 -2.864 0.316
12 2HE LYS 1 1HE LYS 1 14.052 -3.182 -0.483
13 1HZ LYS 1 1HZ LYS 1 14.211 -1.319 -1.735
14 2HZ LYS 1 2HZ LYS 1 15.866 -1.576 -1.505
15 3HZ LYS 1 3HZ LYS 1 15.047 -0.440 -0.555
16 H VAL 2 H VAL 2 8.385 -2.919 2.440
17 HA VAL 2 HA VAL 2 7.225 -4.101 0.079
18 HB VAL 2 HB VAL 2 5.952 -3.966 2.193
19 1HG1 VAL 2 1HG1 VAL 2 6.770 -1.825 3.007
20 2HG1 VAL 2 2HG1 VAL 2 5.009 -1.813 2.908
21 3HG1 VAL 2 3HG1 VAL 2 5.967 -0.990 1.676
22 1HG2 VAL 2 1HG2 VAL 2 4.362 -2.233 0.408
23 2HG2 VAL 2 2HG2 VAL 2 3.972 -3.802 1.113
24 3HG2 VAL 2 3HG2 VAL 2 5.007 -3.709 -0.311
25 H GLY 3 H GLY 3 6.359 -3.017 -1.698
26 1HA GLY 3 2HA GLY 3 7.753 -0.762 -2.625
27 2HA GLY 3 1HA GLY 3 6.265 -1.391 -3.319
28 H ARG 4 H ARG 4 7.679 0.977 -1.248
29 HA ARG 4 HA ARG 4 5.606 1.969 0.197
30 1HB ARG 4 2HB ARG 4 8.083 2.771 -0.102
31 2HB ARG 4 1HB ARG 4 7.352 3.926 -1.211
32 1HG ARG 4 2HG ARG 4 5.983 4.829 0.508
33 2HG ARG 4 1HG ARG 4 6.449 3.546 1.629
34 1HD ARG 4 2HD ARG 4 8.873 4.530 0.983
35 2HD ARG 4 1HD ARG 4 7.894 5.988 0.830
36 HE ARG 4 HE ARG 4 7.615 6.010 3.108
37 1HH1 ARG 4 1HH1 ARG 4 8.932 2.924 2.142
38 2HH1 ARG 4 2HH1 ARG 4 9.256 2.415 3.765
39 1HH2 ARG 4 1HH2 ARG 4 8.042 5.340 5.243
40 2HH2 ARG 4 2HH2 ARG 4 8.751 3.784 5.525
41 H ASN 5 H ASN 5 6.019 2.216 -3.250
42 HA ASN 5 HA ASN 5 4.004 4.263 -3.537
43 1HB ASN 5 2HB ASN 5 6.019 3.981 -5.060
44 2HB ASN 5 1HB ASN 5 5.194 2.583 -5.744
45 1HD2 ASN 5 1HD2 ASN 5 5.135 6.045 -5.364
46 2HD2 ASN 5 2HD2 ASN 5 4.007 6.364 -6.633
47 H ASP 6 H ASP 6 3.783 1.095 -2.796
48 HA ASP 6 HA ASP 6 1.412 0.588 -4.445
49 1HB ASP 6 2HB ASP 6 3.017 -1.203 -4.529
50 2HB ASP 6 1HB ASP 6 3.145 -1.244 -2.775
51 HA PRO 7 HA PRO 7 -1.600 1.477 -1.352
52 1HB PRO 7 2HB PRO 7 -2.855 -1.089 -1.471
53 2HB PRO 7 1HB PRO 7 -3.378 0.409 -2.241
54 1HG PRO 7 2HG PRO 7 -1.846 -1.858 -3.370
55 2HG PRO 7 1HG PRO 7 -2.917 -0.705 -4.184
56 1HD PRO 7 2HD PRO 7 -0.255 -0.590 -4.480
57 2HD PRO 7 1HD PRO 7 -1.238 0.887 -4.397
58 H CYS 8 H CYS 8 -1.066 1.544 0.723
59 HA CYS 8 HA CYS 8 0.630 -0.018 2.142
60 1HB CYS 8 2HB CYS 8 -0.430 2.115 2.913
61 2HB CYS 8 1HB CYS 8 -1.878 1.199 3.311
62 HG CYS 8 HG CYS 8 0.810 1.011 4.844
63 HA PRO 9 HA PRO 9 -1.184 -4.051 2.504
64 1HB PRO 9 2HB PRO 9 0.056 -4.777 4.867
65 2HB PRO 9 1HB PRO 9 0.781 -4.915 3.263
66 1HG PRO 9 2HG PRO 9 1.133 -2.781 5.326
67 2HG PRO 9 1HG PRO 9 2.341 -3.524 4.262
68 1HD PRO 9 2HD PRO 9 1.335 -1.098 3.743
69 2HD PRO 9 1HD PRO 9 1.702 -2.241 2.435
70 H CYS 10 H CYS 10 -1.460 -1.588 4.927
71 HA CYS 10 HA CYS 10 -2.996 -2.867 6.858
72 1HB CYS 10 2HB CYS 10 -3.771 -0.661 7.511
73 2HB CYS 10 1HB CYS 10 -2.063 -0.588 7.096
74 HG CYS 10 HG CYS 10 -3.290 0.275 4.657
75 H GLY 11 H GLY 11 -3.863 -1.783 3.669
76 1HA GLY 11 2HA GLY 11 -5.729 -2.413 2.436
77 2HA GLY 11 1HA GLY 11 -6.406 -3.145 3.883
78 H SER 12 H SER 12 -5.279 0.170 3.734
79 HA SER 12 HA SER 12 -7.953 1.077 4.440
80 1HB SER 12 2HB SER 12 -5.217 2.309 4.526
81 2HB SER 12 1HB SER 12 -6.650 3.335 4.613
82 HG SER 12 HG SER 12 -7.132 2.532 6.537
83 H GLY 13 H GLY 13 -5.486 1.718 1.966
84 1HA GLY 13 2HA GLY 13 -6.706 1.819 -0.318
85 2HA GLY 13 1HA GLY 13 -7.486 3.213 0.414
86 H LYS 14 H LYS 14 -4.991 3.923 1.864
87 HA LYS 14 HA LYS 14 -3.769 5.422 -0.308
88 1HB LYS 14 2HB LYS 14 -3.574 5.561 2.695
89 2HB LYS 14 1HB LYS 14 -2.486 6.471 1.656
90 1HG LYS 14 2HG LYS 14 -4.831 7.196 0.581
91 2HG LYS 14 1HG LYS 14 -5.344 6.891 2.242
92 1HD LYS 14 2HD LYS 14 -2.862 8.462 1.886
93 2HD LYS 14 1HD LYS 14 -4.371 9.249 1.417
94 1HE LYS 14 2HE LYS 14 -5.297 8.713 3.646
95 2HE LYS 14 1HE LYS 14 -3.735 8.032 4.103
96 1HZ LYS 14 1HZ LYS 14 -4.420 10.552 4.566
97 2HZ LYS 14 2HZ LYS 14 -3.686 10.741 3.054
98 3HZ LYS 14 3HZ LYS 14 -2.818 10.059 4.336
99 H LYS 15 H LYS 15 -1.592 5.340 -0.864
100 HA LYS 15 HA LYS 15 -0.338 2.839 -0.748
101 1HB LYS 15 2HB LYS 15 0.752 5.575 -1.406
102 2HB LYS 15 1HB LYS 15 1.703 4.104 -1.559
103 1HG LYS 15 2HG LYS 15 0.934 3.985 -3.637
104 2HG LYS 15 1HG LYS 15 -0.609 3.502 -2.929
105 1HD LYS 15 2HD LYS 15 -0.224 6.388 -2.924
106 2HD LYS 15 1HD LYS 15 -0.168 5.698 -4.546
107 1HE LYS 15 2HE LYS 15 -2.337 4.890 -4.418
108 2HE LYS 15 1HE LYS 15 -2.344 4.907 -2.655
109 1HZ LYS 15 1HZ LYS 15 -3.579 6.733 -4.078
110 2HZ LYS 15 2HZ LYS 15 -2.058 7.472 -4.019
111 3HZ LYS 15 3HZ LYS 15 -2.871 7.096 -2.584
112 H TYR 16 H TYR 16 1.931 2.508 0.114
113 HA TYR 16 HA TYR 16 1.973 2.442 2.842
114 1HB TYR 16 2HB TYR 16 3.616 1.508 0.953
115 2HB TYR 16 1HB TYR 16 4.589 2.868 1.498
116 HD1 TYR 16 1HD TYR 16 2.381 0.799 3.642
117 HD2 TYR 16 2HD TYR 16 6.380 1.697 2.486
118 HE1 TYR 16 1HE TYR 16 3.218 -0.543 5.522
119 HE2 TYR 16 2HE TYR 16 7.227 0.355 4.368
120 HH TYR 16 HH TYR 16 6.306 -1.630 5.777
121 H LYS 17 H LYS 17 4.071 4.701 1.040
122 HA LYS 17 HA LYS 17 4.720 6.315 3.204
123 1HB LYS 17 2HB LYS 17 5.108 8.102 1.384
124 2HB LYS 17 1HB LYS 17 6.051 6.621 1.313
125 1HG LYS 17 2HG LYS 17 5.323 6.232 -0.739
126 2HG LYS 17 1HG LYS 17 3.654 6.231 -0.170
127 1HD LYS 17 2HD LYS 17 3.647 8.709 -0.359
128 2HD LYS 17 1HD LYS 17 5.264 8.622 -1.061
129 1HE LYS 17 2HE LYS 17 3.233 6.894 -2.312
130 2HE LYS 17 1HE LYS 17 2.978 8.628 -2.506
131 1HZ LYS 17 1HZ LYS 17 5.262 6.991 -3.413
132 2HZ LYS 17 2HZ LYS 17 5.413 8.665 -3.223
133 3HZ LYS 17 3HZ LYS 17 4.284 8.037 -4.314
134 H GLN 18 H GLN 18 1.796 6.177 1.383
135 HA GLN 18 HA GLN 18 0.891 8.793 2.275
136 1HB GLN 18 2HB GLN 18 -0.710 6.711 0.799
137 2HB GLN 18 1HB GLN 18 -1.017 8.441 0.893
138 1HG GLN 18 2HG GLN 18 1.516 7.434 -0.327
139 2HG GLN 18 1HG GLN 18 0.017 7.430 -1.255
140 1HE2 GLN 18 1HE2 GLN 18 -0.392 9.184 -2.384
141 2HE2 GLN 18 2HE2 GLN 18 0.252 10.760 -2.091
142 H CYS 19 H CYS 19 1.198 5.995 3.863
143 HA CYS 19 HA CYS 19 -1.048 6.613 5.597
144 1HB CYS 19 2HB CYS 19 -1.605 4.826 3.736
145 2HB CYS 19 1HB CYS 19 -0.761 3.740 4.837
146 HG CYS 19 HG CYS 19 -3.514 4.145 5.159
147 H HIS 20 H HIS 20 1.115 3.789 5.247
148 HA HIS 20 HA HIS 20 1.814 4.063 8.068
149 1HB HIS 20 2HB HIS 20 2.145 1.862 6.046
150 2HB HIS 20 1HB HIS 20 3.013 1.827 7.578
151 HD1 HIS 20 1HD HIS 20 1.754 -0.169 8.532
152 HD2 HIS 20 2HD HIS 20 -0.735 2.961 7.404
153 HE1 HIS 20 1HE HIS 20 -0.511 -0.741 9.465
154 HE2 HIS 20 2HE HIS 20 -2.018 1.124 8.696
155 H GLY 21 H GLY 21 3.461 3.753 4.931
156 1HA GLY 21 2HA GLY 21 6.086 3.865 5.663
157 2HA GLY 21 1HA GLY 21 5.463 4.639 4.215
158 H ARG 22 H ARG 22 3.782 6.486 5.823
159 HA ARG 22 HA ARG 22 5.885 8.426 6.381
160 1HB ARG 22 2HB ARG 22 3.121 8.539 5.481
161 2HB ARG 22 1HB ARG 22 3.432 9.681 6.782
162 1HG ARG 22 2HG ARG 22 5.448 9.619 4.640
163 2HG ARG 22 1HG ARG 22 3.850 10.207 4.176
164 1HD ARG 22 2HD ARG 22 4.275 12.165 5.130
165 2HD ARG 22 1HD ARG 22 4.543 11.368 6.680
166 HE ARG 22 HE ARG 22 6.802 11.239 4.909
167 1HH1 ARG 22 1HH1 ARG 22 5.171 13.153 7.329
168 2HH1 ARG 22 2HH1 ARG 22 6.600 14.016 7.789
169 1HH2 ARG 22 1HH2 ARG 22 8.683 12.372 5.515
170 2HH2 ARG 22 2HH2 ARG 22 8.594 13.573 6.760
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 12.981 -4.310 2.824
2 2H LYS 1 2HT LYS 1 12.706 -4.119 1.142
3 3H LYS 1 3HT LYS 1 11.882 -5.346 2.014
4 HA LYS 1 HA LYS 1 10.816 -3.629 3.342
5 1HB LYS 1 2HB LYS 1 10.930 -1.323 2.491
6 2HB LYS 1 1HB LYS 1 12.508 -1.902 3.005
7 1HG LYS 1 2HG LYS 1 13.257 -2.145 0.789
8 2HG LYS 1 1HG LYS 1 11.623 -1.998 0.139
9 1HD LYS 1 2HD LYS 1 12.873 0.056 -0.228
10 2HD LYS 1 1HD LYS 1 11.543 0.336 0.897
11 1HE LYS 1 2HE LYS 1 12.924 0.779 2.626
12 2HE LYS 1 1HE LYS 1 14.106 -0.430 2.126
13 1HZ LYS 1 1HZ LYS 1 14.629 1.213 0.256
14 2HZ LYS 1 2HZ LYS 1 15.191 1.578 1.809
15 3HZ LYS 1 3HZ LYS 1 13.818 2.358 1.202
16 H VAL 2 H VAL 2 8.961 -2.220 2.303
17 HA VAL 2 HA VAL 2 7.838 -3.856 0.142
18 HB VAL 2 HB VAL 2 6.499 -3.663 2.209
19 1HG1 VAL 2 1HG1 VAL 2 6.590 -0.727 1.547
20 2HG1 VAL 2 2HG1 VAL 2 7.046 -1.527 3.053
21 3HG1 VAL 2 3HG1 VAL 2 5.348 -1.428 2.585
22 1HG2 VAL 2 1HG2 VAL 2 4.483 -3.534 1.119
23 2HG2 VAL 2 2HG2 VAL 2 5.572 -3.732 -0.253
24 3HG2 VAL 2 3HG2 VAL 2 4.963 -2.130 0.165
25 H GLY 3 H GLY 3 6.734 -2.868 -1.621
26 1HA GLY 3 2HA GLY 3 8.060 -0.543 -2.633
27 2HA GLY 3 1HA GLY 3 6.724 -1.397 -3.399
28 H ARG 4 H ARG 4 7.549 0.950 -0.911
29 HA ARG 4 HA ARG 4 5.247 1.759 0.143
30 1HB ARG 4 2HB ARG 4 6.211 4.221 -0.309
31 2HB ARG 4 1HB ARG 4 6.842 3.138 0.918
32 1HG ARG 4 2HG ARG 4 8.346 2.400 -1.198
33 2HG ARG 4 1HG ARG 4 8.065 4.100 -1.573
34 1HD ARG 4 2HD ARG 4 8.823 4.661 0.727
35 2HD ARG 4 1HD ARG 4 9.231 2.963 0.960
36 HE ARG 4 HE ARG 4 10.467 4.126 -1.355
37 1HH1 ARG 4 1HH1 ARG 4 10.743 3.663 2.093
38 2HH1 ARG 4 2HH1 ARG 4 12.463 3.856 2.108
39 1HH2 ARG 4 1HH2 ARG 4 12.731 4.377 -1.337
40 2HH2 ARG 4 2HH2 ARG 4 13.593 4.262 0.161
41 H ASN 5 H ASN 5 6.058 2.235 -3.225
42 HA ASN 5 HA ASN 5 4.014 4.133 -3.779
43 1HB ASN 5 2HB ASN 5 6.145 3.459 -5.158
44 2HB ASN 5 1HB ASN 5 5.061 2.272 -5.875
45 1HD2 ASN 5 1HD2 ASN 5 6.266 5.309 -6.180
46 2HD2 ASN 5 2HD2 ASN 5 5.043 6.007 -7.181
47 H ASP 6 H ASP 6 3.681 1.024 -2.789
48 HA ASP 6 HA ASP 6 1.327 0.482 -4.453
49 1HB ASP 6 2HB ASP 6 2.914 -1.336 -4.448
50 2HB ASP 6 1HB ASP 6 3.006 -1.317 -2.692
51 HA PRO 7 HA PRO 7 -1.640 1.533 -1.360
52 1HB PRO 7 2HB PRO 7 -3.048 -0.934 -1.445
53 2HB PRO 7 1HB PRO 7 -3.447 0.556 -2.301
54 1HG PRO 7 2HG PRO 7 -1.999 -1.851 -3.264
55 2HG PRO 7 1HG PRO 7 -3.026 -0.718 -4.161
56 1HD PRO 7 2HD PRO 7 -0.366 -0.689 -4.436
57 2HD PRO 7 1HD PRO 7 -1.302 0.820 -4.431
58 H CYS 8 H CYS 8 -1.165 1.568 0.732
59 HA CYS 8 HA CYS 8 0.484 0.000 2.178
60 1HB CYS 8 2HB CYS 8 -0.691 2.115 2.922
61 2HB CYS 8 1HB CYS 8 -2.068 1.107 3.350
62 HG CYS 8 HG CYS 8 0.305 1.565 5.074
63 HA PRO 9 HA PRO 9 -1.332 -4.047 2.409
64 1HB PRO 9 2HB PRO 9 -0.034 -4.892 4.685
65 2HB PRO 9 1HB PRO 9 0.672 -4.912 3.066
66 1HG PRO 9 2HG PRO 9 1.012 -2.907 5.258
67 2HG PRO 9 1HG PRO 9 2.224 -3.570 4.147
68 1HD PRO 9 2HD PRO 9 1.173 -1.131 3.782
69 2HD PRO 9 1HD PRO 9 1.576 -2.182 2.409
70 H CYS 10 H CYS 10 -1.569 -1.665 4.903
71 HA CYS 10 HA CYS 10 -3.035 -3.016 6.846
72 1HB CYS 10 2HB CYS 10 -3.818 -0.834 7.573
73 2HB CYS 10 1HB CYS 10 -2.120 -0.732 7.119
74 HG CYS 10 HG CYS 10 -2.807 1.144 5.715
75 H GLY 11 H GLY 11 -4.009 -1.787 3.730
76 1HA GLY 11 2HA GLY 11 -5.893 -2.482 2.528
77 2HA GLY 11 1HA GLY 11 -6.554 -3.167 4.004
78 H SER 12 H SER 12 -5.363 0.119 3.760
79 HA SER 12 HA SER 12 -8.002 1.097 4.503
80 1HB SER 12 2HB SER 12 -6.908 3.177 5.039
81 2HB SER 12 1HB SER 12 -5.926 1.865 5.690
82 HG SER 12 HG SER 12 -5.170 3.768 4.038
83 H GLY 13 H GLY 13 -5.511 2.145 2.165
84 1HA GLY 13 2HA GLY 13 -6.838 2.052 -0.175
85 2HA GLY 13 1HA GLY 13 -7.526 3.485 0.572
86 H LYS 14 H LYS 14 -4.934 4.074 1.924
87 HA LYS 14 HA LYS 14 -3.707 5.445 -0.342
88 1HB LYS 14 2HB LYS 14 -3.067 5.764 2.591
89 2HB LYS 14 1HB LYS 14 -2.629 6.852 1.281
90 1HG LYS 14 2HG LYS 14 -5.150 7.130 0.923
91 2HG LYS 14 1HG LYS 14 -5.318 6.397 2.520
92 1HD LYS 14 2HD LYS 14 -3.799 8.151 3.418
93 2HD LYS 14 1HD LYS 14 -3.812 8.918 1.829
94 1HE LYS 14 2HE LYS 14 -6.431 8.309 3.082
95 2HE LYS 14 1HE LYS 14 -5.485 9.627 3.774
96 1HZ LYS 14 1HZ LYS 14 -6.976 10.448 2.081
97 2HZ LYS 14 2HZ LYS 14 -6.327 9.386 0.935
98 3HZ LYS 14 3HZ LYS 14 -5.376 10.635 1.566
99 H LYS 15 H LYS 15 -1.530 5.286 -0.872
100 HA LYS 15 HA LYS 15 -0.337 2.764 -0.610
101 1HB LYS 15 2HB LYS 15 0.697 5.440 -1.510
102 2HB LYS 15 1HB LYS 15 1.755 4.040 -1.429
103 1HG LYS 15 2HG LYS 15 0.996 3.263 -3.358
104 2HG LYS 15 1HG LYS 15 -0.677 3.376 -2.811
105 1HD LYS 15 2HD LYS 15 0.220 6.013 -3.318
106 2HD LYS 15 1HD LYS 15 0.717 5.020 -4.689
107 1HE LYS 15 2HE LYS 15 -2.070 4.886 -3.589
108 2HE LYS 15 1HE LYS 15 -1.604 6.121 -4.758
109 1HZ LYS 15 1HZ LYS 15 -0.692 3.994 -6.004
110 2HZ LYS 15 2HZ LYS 15 -2.292 4.514 -6.176
111 3HZ LYS 15 3HZ LYS 15 -1.926 3.243 -5.122
112 H TYR 16 H TYR 16 1.897 2.392 0.291
113 HA TYR 16 HA TYR 16 1.945 2.539 3.017
114 1HB TYR 16 2HB TYR 16 3.562 1.435 1.155
115 2HB TYR 16 1HB TYR 16 4.598 2.738 1.721
116 HD1 TYR 16 1HD TYR 16 2.176 0.812 3.771
117 HD2 TYR 16 2HD TYR 16 6.268 1.510 2.829
118 HE1 TYR 16 1HE TYR 16 2.847 -0.560 5.699
119 HE2 TYR 16 2HE TYR 16 6.949 0.140 4.756
120 HH TYR 16 HH TYR 16 4.736 -1.820 6.495
121 H LYS 17 H LYS 17 4.177 4.529 1.069
122 HA LYS 17 HA LYS 17 4.942 6.271 3.056
123 1HB LYS 17 2HB LYS 17 5.348 7.913 1.140
124 2HB LYS 17 1HB LYS 17 6.156 6.354 1.047
125 1HG LYS 17 2HG LYS 17 4.902 5.649 -0.722
126 2HG LYS 17 1HG LYS 17 3.510 6.634 -0.268
127 1HD LYS 17 2HD LYS 17 4.190 8.355 -1.527
128 2HD LYS 17 1HD LYS 17 5.849 8.234 -0.938
129 1HE LYS 17 2HE LYS 17 6.104 6.242 -2.481
130 2HE LYS 17 1HE LYS 17 4.561 6.715 -3.192
131 1HZ LYS 17 1HZ LYS 17 5.854 9.025 -3.295
132 2HZ LYS 17 2HZ LYS 17 5.909 7.886 -4.544
133 3HZ LYS 17 3HZ LYS 17 7.173 7.973 -3.422
134 H GLN 18 H GLN 18 1.929 6.170 1.360
135 HA GLN 18 HA GLN 18 1.172 8.831 2.325
136 1HB GLN 18 2HB GLN 18 -0.491 6.988 0.625
137 2HB GLN 18 1HB GLN 18 -0.657 8.729 0.819
138 1HG GLN 18 2HG GLN 18 1.691 7.382 -0.496
139 2HG GLN 18 1HG GLN 18 0.305 8.052 -1.357
140 1HE2 GLN 18 1HE2 GLN 18 -0.169 10.382 -0.809
141 2HE2 GLN 18 2HE2 GLN 18 1.190 11.441 -0.685
142 H CYS 19 H CYS 19 1.321 6.100 3.882
143 HA CYS 19 HA CYS 19 -1.150 6.612 5.319
144 1HB CYS 19 2HB CYS 19 -1.392 4.831 3.402
145 2HB CYS 19 1HB CYS 19 -0.648 3.760 4.590
146 HG CYS 19 HG CYS 19 -3.164 3.541 4.963
147 H HIS 20 H HIS 20 1.063 3.803 5.340
148 HA HIS 20 HA HIS 20 1.798 4.568 8.090
149 1HB HIS 20 2HB HIS 20 1.107 1.840 7.008
150 2HB HIS 20 1HB HIS 20 1.938 2.075 8.542
151 HD1 HIS 20 1HD HIS 20 -1.312 1.506 7.311
152 HD2 HIS 20 2HD HIS 20 0.262 4.026 10.215
153 HE1 HIS 20 1HE HIS 20 -3.251 2.123 8.789
154 HE2 HIS 20 2HE HIS 20 -2.258 3.582 10.586
155 H GLY 21 H GLY 21 3.011 4.255 5.079
156 1HA GLY 21 2HA GLY 21 5.300 2.691 5.295
157 2HA GLY 21 1HA GLY 21 5.144 4.094 4.249
158 H ARG 22 H ARG 22 4.629 5.808 6.672
159 HA ARG 22 HA ARG 22 7.236 6.749 7.048
160 1HB ARG 22 2HB ARG 22 4.581 7.390 8.022
161 2HB ARG 22 1HB ARG 22 5.787 7.588 9.288
162 1HG ARG 22 2HG ARG 22 6.911 8.757 7.016
163 2HG ARG 22 1HG ARG 22 5.219 9.259 7.017
164 1HD ARG 22 2HD ARG 22 7.283 9.664 9.167
165 2HD ARG 22 1HD ARG 22 6.401 10.890 8.259
166 HE ARG 22 HE ARG 22 4.435 9.543 9.528
167 1HH1 ARG 22 1HH1 ARG 22 7.400 11.017 10.632
168 2HH1 ARG 22 2HH1 ARG 22 6.777 11.388 12.204
169 1HH2 ARG 22 1HH2 ARG 22 3.613 10.032 11.595
170 2HH2 ARG 22 2HH2 ARG 22 4.628 10.829 12.752
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 12.353 -4.374 0.931
2 2H LYS 1 2HT LYS 1 11.908 -5.521 2.126
3 3H LYS 1 3HT LYS 1 13.011 -4.263 2.509
4 HA LYS 1 HA LYS 1 10.712 -3.979 3.331
5 1HB LYS 1 2HB LYS 1 12.369 -2.099 1.744
6 2HB LYS 1 1HB LYS 1 10.741 -1.561 2.135
7 1HG LYS 1 2HG LYS 1 11.252 -2.074 4.536
8 2HG LYS 1 1HG LYS 1 12.927 -2.336 4.047
9 1HD LYS 1 2HD LYS 1 13.327 -0.134 3.789
10 2HD LYS 1 1HD LYS 1 11.734 0.176 3.095
11 1HE LYS 1 2HE LYS 1 11.039 -0.382 5.632
12 2HE LYS 1 1HE LYS 1 12.645 0.294 5.902
13 1HZ LYS 1 1HZ LYS 1 10.219 1.592 4.940
14 2HZ LYS 1 2HZ LYS 1 11.675 2.102 4.246
15 3HZ LYS 1 3HZ LYS 1 11.457 2.200 5.920
16 H VAL 2 H VAL 2 8.893 -2.335 2.341
17 HA VAL 2 HA VAL 2 7.686 -3.886 0.160
18 HB VAL 2 HB VAL 2 6.367 -3.682 2.238
19 1HG1 VAL 2 1HG1 VAL 2 5.327 -1.434 2.712
20 2HG1 VAL 2 2HG1 VAL 2 6.530 -0.736 1.629
21 3HG1 VAL 2 3HG1 VAL 2 7.043 -1.572 3.095
22 1HG2 VAL 2 1HG2 VAL 2 5.176 -2.218 -0.119
23 2HG2 VAL 2 2HG2 VAL 2 4.268 -2.964 1.197
24 3HG2 VAL 2 3HG2 VAL 2 5.219 -3.967 0.101
25 H GLY 3 H GLY 3 6.878 -2.920 -1.687
26 1HA GLY 3 2HA GLY 3 8.176 -0.518 -2.527
27 2HA GLY 3 1HA GLY 3 6.956 -1.411 -3.430
28 H ARG 4 H ARG 4 7.439 0.902 -0.825
29 HA ARG 4 HA ARG 4 5.077 1.630 0.077
30 1HB ARG 4 2HB ARG 4 5.905 4.136 -0.405
31 2HB ARG 4 1HB ARG 4 6.569 3.119 0.862
32 1HG ARG 4 2HG ARG 4 8.181 2.425 -1.179
33 2HG ARG 4 1HG ARG 4 7.794 4.084 -1.633
34 1HD ARG 4 2HD ARG 4 8.615 4.926 0.427
35 2HD ARG 4 1HD ARG 4 8.729 3.307 1.115
36 HE ARG 4 HE ARG 4 10.636 4.601 -0.609
37 1HH1 ARG 4 1HH1 ARG 4 9.454 1.538 0.574
38 2HH1 ARG 4 2HH1 ARG 4 10.937 0.702 0.257
39 1HH2 ARG 4 1HH2 ARG 4 12.586 3.503 -1.027
40 2HH2 ARG 4 2HH2 ARG 4 12.715 1.818 -0.651
41 H ASN 5 H ASN 5 6.046 2.253 -3.246
42 HA ASN 5 HA ASN 5 4.008 4.000 -3.996
43 1HB ASN 5 2HB ASN 5 6.033 3.352 -5.354
44 2HB ASN 5 1HB ASN 5 5.194 1.859 -5.764
45 1HD2 ASN 5 1HD2 ASN 5 5.264 5.312 -6.159
46 2HD2 ASN 5 2HD2 ASN 5 4.185 5.382 -7.505
47 H ASP 6 H ASP 6 3.737 0.760 -3.027
48 HA ASP 6 HA ASP 6 1.267 0.302 -4.508
49 1HB ASP 6 2HB ASP 6 2.788 -1.563 -4.485
50 2HB ASP 6 1HB ASP 6 2.950 -1.479 -2.736
51 HA PRO 7 HA PRO 7 -1.536 1.574 -1.350
52 1HB PRO 7 2HB PRO 7 -3.141 -0.755 -1.382
53 2HB PRO 7 1HB PRO 7 -3.414 0.732 -2.291
54 1HG PRO 7 2HG PRO 7 -2.157 -1.816 -3.164
55 2HG PRO 7 1HG PRO 7 -3.125 -0.660 -4.095
56 1HD PRO 7 2HD PRO 7 -0.472 -0.810 -4.406
57 2HD PRO 7 1HD PRO 7 -1.313 0.755 -4.452
58 H CYS 8 H CYS 8 -0.931 1.584 0.702
59 HA CYS 8 HA CYS 8 0.622 -0.027 2.142
60 1HB CYS 8 2HB CYS 8 -0.426 2.077 2.962
61 2HB CYS 8 1HB CYS 8 -1.908 1.181 3.272
62 HG CYS 8 HG CYS 8 0.634 1.096 4.986
63 HA PRO 9 HA PRO 9 -1.183 -4.074 2.379
64 1HB PRO 9 2HB PRO 9 0.031 -4.855 4.738
65 2HB PRO 9 1HB PRO 9 0.775 -4.949 3.138
66 1HG PRO 9 2HG PRO 9 1.095 -2.868 5.260
67 2HG PRO 9 1HG PRO 9 2.319 -3.579 4.191
68 1HD PRO 9 2HD PRO 9 1.309 -1.144 3.724
69 2HD PRO 9 1HD PRO 9 1.697 -2.251 2.392
70 H CYS 10 H CYS 10 -1.464 -1.697 4.900
71 HA CYS 10 HA CYS 10 -3.046 -3.043 6.748
72 1HB CYS 10 2HB CYS 10 -3.751 -0.883 7.536
73 2HB CYS 10 1HB CYS 10 -2.063 -0.766 7.053
74 HG CYS 10 HG CYS 10 -4.429 0.513 5.505
75 H GLY 11 H GLY 11 -3.862 -1.732 3.623
76 1HA GLY 11 2HA GLY 11 -5.717 -2.259 2.325
77 2HA GLY 11 1HA GLY 11 -6.413 -3.094 3.706
78 H SER 12 H SER 12 -5.274 0.241 3.671
79 HA SER 12 HA SER 12 -7.910 1.111 4.541
80 1HB SER 12 2HB SER 12 -6.751 3.309 4.915
81 2HB SER 12 1HB SER 12 -6.059 1.966 5.824
82 HG SER 12 HG SER 12 -4.914 3.541 3.943
83 H GLY 13 H GLY 13 -5.533 2.077 2.060
84 1HA GLY 13 2HA GLY 13 -6.989 2.154 -0.172
85 2HA GLY 13 1HA GLY 13 -7.589 3.584 0.654
86 H LYS 14 H LYS 14 -4.889 4.042 1.863
87 HA LYS 14 HA LYS 14 -3.745 5.399 -0.464
88 1HB LYS 14 2HB LYS 14 -2.887 5.790 2.395
89 2HB LYS 14 1HB LYS 14 -2.701 6.892 1.037
90 1HG LYS 14 2HG LYS 14 -5.191 7.123 0.992
91 2HG LYS 14 1HG LYS 14 -5.238 6.197 2.494
92 1HD LYS 14 2HD LYS 14 -3.480 8.606 2.288
93 2HD LYS 14 1HD LYS 14 -5.211 8.807 2.564
94 1HE LYS 14 2HE LYS 14 -4.633 6.895 4.386
95 2HE LYS 14 1HE LYS 14 -3.110 7.783 4.355
96 1HZ LYS 14 1HZ LYS 14 -5.173 8.471 5.875
97 2HZ LYS 14 2HZ LYS 14 -5.521 9.397 4.504
98 3HZ LYS 14 3HZ LYS 14 -4.040 9.586 5.297
99 H LYS 15 H LYS 15 -1.359 5.516 -0.614
100 HA LYS 15 HA LYS 15 -0.244 2.893 -0.596
101 1HB LYS 15 2HB LYS 15 0.839 5.615 -1.288
102 2HB LYS 15 1HB LYS 15 1.867 4.190 -1.297
103 1HG LYS 15 2HG LYS 15 1.128 3.591 -3.296
104 2HG LYS 15 1HG LYS 15 -0.551 3.678 -2.761
105 1HD LYS 15 2HD LYS 15 0.968 6.176 -3.412
106 2HD LYS 15 1HD LYS 15 0.244 5.208 -4.698
107 1HE LYS 15 2HE LYS 15 -1.795 5.398 -2.875
108 2HE LYS 15 1HE LYS 15 -1.012 6.970 -2.734
109 1HZ LYS 15 1HZ LYS 15 -2.335 7.456 -4.466
110 2HZ LYS 15 2HZ LYS 15 -2.516 5.843 -4.943
111 3HZ LYS 15 3HZ LYS 15 -1.126 6.702 -5.380
112 H TYR 16 H TYR 16 1.974 2.472 0.330
113 HA TYR 16 HA TYR 16 1.953 2.493 3.080
114 1HB TYR 16 2HB TYR 16 3.523 1.324 1.273
115 2HB TYR 16 1HB TYR 16 4.606 2.632 1.733
116 HD1 TYR 16 1HD TYR 16 2.235 0.701 3.860
117 HD2 TYR 16 2HD TYR 16 6.295 1.580 2.942
118 HE1 TYR 16 1HE TYR 16 2.950 -0.593 5.823
119 HE2 TYR 16 2HE TYR 16 7.024 0.288 4.904
120 HH TYR 16 HH TYR 16 4.970 -0.642 7.360
121 H LYS 17 H LYS 17 3.848 4.675 0.990
122 HA LYS 17 HA LYS 17 4.786 6.287 3.116
123 1HB LYS 17 2HB LYS 17 5.719 7.691 1.468
124 2HB LYS 17 1HB LYS 17 5.779 6.072 0.787
125 1HG LYS 17 2HG LYS 17 3.586 8.032 0.156
126 2HG LYS 17 1HG LYS 17 5.075 7.907 -0.780
127 1HD LYS 17 2HD LYS 17 4.383 5.336 -0.785
128 2HD LYS 17 1HD LYS 17 2.776 6.042 -0.604
129 1HE LYS 17 2HE LYS 17 2.957 5.964 -2.890
130 2HE LYS 17 1HE LYS 17 3.570 7.585 -2.565
131 1HZ LYS 17 1HZ LYS 17 5.532 5.437 -2.558
132 2HZ LYS 17 2HZ LYS 17 5.654 7.014 -3.158
133 3HZ LYS 17 3HZ LYS 17 4.859 5.826 -4.062
134 H GLN 18 H GLN 18 1.718 6.066 1.743
135 HA GLN 18 HA GLN 18 1.030 8.840 2.380
136 1HB GLN 18 2HB GLN 18 -0.720 6.733 1.113
137 2HB GLN 18 1HB GLN 18 -1.016 8.466 1.175
138 1HG GLN 18 2HG GLN 18 1.448 7.461 -0.161
139 2HG GLN 18 1HG GLN 18 -0.100 7.342 -0.995
140 1HE2 GLN 18 1HE2 GLN 18 0.854 8.789 -2.548
141 2HE2 GLN 18 2HE2 GLN 18 0.862 10.489 -2.244
142 H CYS 19 H CYS 19 0.712 5.628 3.589
143 HA CYS 19 HA CYS 19 -1.222 6.591 5.591
144 1HB CYS 19 2HB CYS 19 -1.814 4.697 3.853
145 2HB CYS 19 1HB CYS 19 -0.938 3.679 4.994
146 HG CYS 19 HG CYS 19 -2.881 5.040 6.659
147 H HIS 20 H HIS 20 0.968 3.775 5.346
148 HA HIS 20 HA HIS 20 1.647 4.100 8.149
149 1HB HIS 20 2HB HIS 20 2.027 1.961 6.107
150 2HB HIS 20 1HB HIS 20 3.118 1.996 7.488
151 HD1 HIS 20 1HD HIS 20 1.050 -0.295 7.008
152 HD2 HIS 20 2HD HIS 20 0.461 2.981 9.494
153 HE1 HIS 20 1HE HIS 20 -0.693 -1.019 8.669
154 HE2 HIS 20 2HE HIS 20 -0.959 0.945 10.225
155 H GLY 21 H GLY 21 3.766 3.265 5.416
156 1HA GLY 21 2HA GLY 21 6.153 4.083 6.435
157 2HA GLY 21 1HA GLY 21 5.768 4.177 4.725
158 H ARG 22 H ARG 22 3.631 6.167 5.204
159 HA ARG 22 HA ARG 22 3.402 8.429 5.133
160 1HB ARG 22 2HB ARG 22 4.860 7.813 7.551
161 2HB ARG 22 1HB ARG 22 5.331 9.391 6.933
162 1HG ARG 22 2HG ARG 22 2.555 9.350 6.733
163 2HG ARG 22 1HG ARG 22 2.914 8.587 8.283
164 1HD ARG 22 2HD ARG 22 4.603 10.854 8.008
165 2HD ARG 22 1HD ARG 22 2.960 11.349 7.603
166 HE ARG 22 HE ARG 22 3.140 9.799 10.017
167 1HH1 ARG 22 1HH1 ARG 22 3.342 13.005 8.653
168 2HH1 ARG 22 2HH1 ARG 22 2.960 13.799 10.143
169 1HH2 ARG 22 1HH2 ARG 22 2.637 10.842 11.978
170 2HH2 ARG 22 2HH2 ARG 22 2.559 12.571 12.030
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 12.313 -4.493 3.552
2 2H LYS 1 2HT LYS 1 11.468 -5.351 2.329
3 3H LYS 1 3HT LYS 1 10.620 -4.720 3.680
4 HA LYS 1 HA LYS 1 10.935 -2.543 3.004
5 1HB LYS 1 2HB LYS 1 13.311 -3.460 2.036
6 2HB LYS 1 1HB LYS 1 12.418 -3.214 0.542
7 1HG LYS 1 2HG LYS 1 12.173 -0.982 2.395
8 2HG LYS 1 1HG LYS 1 13.838 -1.307 1.907
9 1HD LYS 1 2HD LYS 1 11.708 -1.244 -0.178
10 2HD LYS 1 1HD LYS 1 12.299 0.281 0.486
11 1HE LYS 1 2HE LYS 1 14.593 -0.369 -0.104
12 2HE LYS 1 1HE LYS 1 13.981 -1.874 -0.793
13 1HZ LYS 1 1HZ LYS 1 14.168 -0.516 -2.626
14 2HZ LYS 1 2HZ LYS 1 13.688 0.878 -1.798
15 3HZ LYS 1 3HZ LYS 1 12.541 -0.294 -2.215
16 H VAL 2 H VAL 2 8.842 -2.382 2.451
17 HA VAL 2 HA VAL 2 7.783 -3.869 0.187
18 HB VAL 2 HB VAL 2 6.433 -3.677 2.243
19 1HG1 VAL 2 1HG1 VAL 2 6.997 -1.557 3.111
20 2HG1 VAL 2 2HG1 VAL 2 5.303 -1.435 2.637
21 3HG1 VAL 2 3HG1 VAL 2 6.557 -0.737 1.612
22 1HG2 VAL 2 1HG2 VAL 2 4.382 -3.396 1.172
23 2HG2 VAL 2 2HG2 VAL 2 5.474 -3.813 -0.149
24 3HG2 VAL 2 3HG2 VAL 2 5.001 -2.133 0.106
25 H GLY 3 H GLY 3 6.618 -2.844 -1.541
26 1HA GLY 3 2HA GLY 3 7.982 -0.540 -2.571
27 2HA GLY 3 1HA GLY 3 6.635 -1.382 -3.331
28 H ARG 4 H ARG 4 7.486 0.936 -0.822
29 HA ARG 4 HA ARG 4 5.200 1.763 0.238
30 1HB ARG 4 2HB ARG 4 6.184 4.218 -0.188
31 2HB ARG 4 1HB ARG 4 6.822 3.112 1.014
32 1HG ARG 4 2HG ARG 4 8.279 2.399 -1.158
33 2HG ARG 4 1HG ARG 4 8.029 4.118 -1.459
34 1HD ARG 4 2HD ARG 4 8.662 4.121 1.180
35 2HD ARG 4 1HD ARG 4 9.625 2.764 0.598
36 HE ARG 4 HE ARG 4 11.014 4.262 -0.407
37 1HH1 ARG 4 1HH1 ARG 4 7.936 5.819 0.127
38 2HH1 ARG 4 2HH1 ARG 4 8.482 7.367 -0.425
39 1HH2 ARG 4 1HH2 ARG 4 11.733 6.298 -1.134
40 2HH2 ARG 4 2HH2 ARG 4 10.638 7.638 -1.142
41 H ASN 5 H ASN 5 5.996 2.266 -3.131
42 HA ASN 5 HA ASN 5 3.951 4.184 -3.639
43 1HB ASN 5 2HB ASN 5 6.079 3.555 -5.037
44 2HB ASN 5 1HB ASN 5 5.006 2.371 -5.776
45 1HD2 ASN 5 1HD2 ASN 5 3.789 3.011 -7.409
46 2HD2 ASN 5 2HD2 ASN 5 3.484 4.651 -7.859
47 H ASP 6 H ASP 6 3.614 1.065 -2.702
48 HA ASP 6 HA ASP 6 1.270 0.544 -4.384
49 1HB ASP 6 2HB ASP 6 2.851 -1.277 -4.401
50 2HB ASP 6 1HB ASP 6 2.948 -1.275 -2.645
51 HA PRO 7 HA PRO 7 -1.714 1.559 -1.299
52 1HB PRO 7 2HB PRO 7 -3.109 -0.917 -1.420
53 2HB PRO 7 1HB PRO 7 -3.516 0.584 -2.251
54 1HG PRO 7 2HG PRO 7 -2.056 -1.798 -3.253
55 2HG PRO 7 1HG PRO 7 -3.082 -0.652 -4.133
56 1HD PRO 7 2HD PRO 7 -0.420 -0.612 -4.398
57 2HD PRO 7 1HD PRO 7 -1.361 0.896 -4.368
58 H CYS 8 H CYS 8 -1.262 1.572 0.796
59 HA CYS 8 HA CYS 8 0.389 0.009 2.243
60 1HB CYS 8 2HB CYS 8 -0.791 2.100 3.007
61 2HB CYS 8 1HB CYS 8 -2.189 1.097 3.379
62 HG CYS 8 HG CYS 8 0.482 0.493 4.825
63 HA PRO 9 HA PRO 9 -1.372 -4.065 2.423
64 1HB PRO 9 2HB PRO 9 -0.110 -4.898 4.726
65 2HB PRO 9 1HB PRO 9 0.628 -4.906 3.121
66 1HG PRO 9 2HG PRO 9 0.895 -2.897 5.320
67 2HG PRO 9 1HG PRO 9 2.141 -3.547 4.238
68 1HD PRO 9 2HD PRO 9 1.074 -1.121 3.840
69 2HD PRO 9 1HD PRO 9 1.504 -2.175 2.478
70 H CYS 10 H CYS 10 -1.699 -1.696 4.921
71 HA CYS 10 HA CYS 10 -3.186 -3.079 6.825
72 1HB CYS 10 2HB CYS 10 -4.015 -0.916 7.551
73 2HB CYS 10 1HB CYS 10 -2.310 -0.784 7.132
74 HG CYS 10 HG CYS 10 -2.987 1.083 5.712
75 H GLY 11 H GLY 11 -4.094 -1.917 3.677
76 1HA GLY 11 2HA GLY 11 -5.947 -2.653 2.449
77 2HA GLY 11 1HA GLY 11 -6.650 -3.284 3.930
78 H SER 12 H SER 12 -5.437 -0.020 3.689
79 HA SER 12 HA SER 12 -8.107 0.986 4.262
80 1HB SER 12 2HB SER 12 -7.050 3.029 4.901
81 2HB SER 12 1HB SER 12 -6.041 1.729 5.535
82 HG SER 12 HG SER 12 -5.373 3.686 3.845
83 H GLY 13 H GLY 13 -5.472 1.860 2.015
84 1HA GLY 13 2HA GLY 13 -6.574 1.799 -0.387
85 2HA GLY 13 1HA GLY 13 -7.416 3.188 0.286
86 H LYS 14 H LYS 14 -5.034 3.968 1.867
87 HA LYS 14 HA LYS 14 -3.703 5.446 -0.253
88 1HB LYS 14 2HB LYS 14 -3.165 5.686 2.702
89 2HB LYS 14 1HB LYS 14 -2.874 6.879 1.444
90 1HG LYS 14 2HG LYS 14 -5.129 7.431 1.274
91 2HG LYS 14 1HG LYS 14 -5.649 5.947 2.074
92 1HD LYS 14 2HD LYS 14 -5.890 7.335 3.844
93 2HD LYS 14 1HD LYS 14 -4.164 7.017 4.036
94 1HE LYS 14 2HE LYS 14 -4.181 9.094 2.254
95 2HE LYS 14 1HE LYS 14 -5.555 9.480 3.290
96 1HZ LYS 14 1HZ LYS 14 -4.232 9.837 5.068
97 2HZ LYS 14 2HZ LYS 14 -3.082 10.182 3.877
98 3HZ LYS 14 3HZ LYS 14 -3.095 8.665 4.622
99 H LYS 15 H LYS 15 -1.688 5.086 -0.956
100 HA LYS 15 HA LYS 15 -0.358 2.701 -0.511
101 1HB LYS 15 2HB LYS 15 1.689 4.028 -1.411
102 2HB LYS 15 1HB LYS 15 0.301 3.764 -2.454
103 1HG LYS 15 2HG LYS 15 -0.073 6.190 -0.999
104 2HG LYS 15 1HG LYS 15 1.522 6.200 -1.752
105 1HD LYS 15 2HD LYS 15 0.456 6.882 -3.600
106 2HD LYS 15 1HD LYS 15 -0.079 5.207 -3.750
107 1HE LYS 15 2HE LYS 15 -2.169 5.667 -2.817
108 2HE LYS 15 1HE LYS 15 -1.619 7.182 -2.103
109 1HZ LYS 15 1HZ LYS 15 -1.572 6.918 -5.021
110 2HZ LYS 15 2HZ LYS 15 -1.826 8.292 -4.068
111 3HZ LYS 15 3HZ LYS 15 -3.066 7.158 -4.263
112 H TYR 16 H TYR 16 1.798 2.345 0.409
113 HA TYR 16 HA TYR 16 1.939 2.653 3.104
114 1HB TYR 16 2HB TYR 16 3.503 1.482 1.214
115 2HB TYR 16 1HB TYR 16 4.564 2.770 1.768
116 HD1 TYR 16 1HD TYR 16 2.117 0.835 3.791
117 HD2 TYR 16 2HD TYR 16 6.216 1.581 2.915
118 HE1 TYR 16 1HE TYR 16 2.772 -0.543 5.720
119 HE2 TYR 16 2HE TYR 16 6.882 0.205 4.844
120 HH TYR 16 HH TYR 16 5.794 -1.746 6.177
121 H LYS 17 H LYS 17 4.067 4.538 0.955
122 HA LYS 17 HA LYS 17 5.036 6.319 2.797
123 1HB LYS 17 2HB LYS 17 5.459 7.844 0.897
124 2HB LYS 17 1HB LYS 17 5.930 6.185 0.558
125 1HG LYS 17 2HG LYS 17 4.094 5.840 -0.868
126 2HG LYS 17 1HG LYS 17 3.276 7.296 -0.295
127 1HD LYS 17 2HD LYS 17 4.758 8.711 -1.437
128 2HD LYS 17 1HD LYS 17 5.943 7.425 -1.667
129 1HE LYS 17 2HE LYS 17 4.840 6.537 -3.449
130 2HE LYS 17 1HE LYS 17 3.255 7.022 -2.847
131 1HZ LYS 17 1HZ LYS 17 4.248 9.396 -3.351
132 2HZ LYS 17 2HZ LYS 17 3.478 8.483 -4.549
133 3HZ LYS 17 3HZ LYS 17 5.167 8.522 -4.469
134 H GLN 18 H GLN 18 1.867 6.283 1.383
135 HA GLN 18 HA GLN 18 1.297 8.979 2.366
136 1HB GLN 18 2HB GLN 18 0.498 7.609 0.103
137 2HB GLN 18 1HB GLN 18 -0.922 7.537 1.139
138 1HG GLN 18 2HG GLN 18 0.537 10.025 0.269
139 2HG GLN 18 1HG GLN 18 -1.021 9.458 -0.331
140 1HE2 GLN 18 1HE2 GLN 18 0.234 11.753 1.469
141 2HE2 GLN 18 2HE2 GLN 18 -0.993 11.958 2.668
142 H CYS 19 H CYS 19 1.419 6.131 3.840
143 HA CYS 19 HA CYS 19 -0.711 6.858 5.673
144 1HB CYS 19 2HB CYS 19 -1.475 5.188 3.782
145 2HB CYS 19 1HB CYS 19 -0.676 3.999 4.809
146 HG CYS 19 HG CYS 19 -2.366 4.827 6.739
147 H HIS 20 H HIS 20 1.211 3.889 5.161
148 HA HIS 20 HA HIS 20 2.075 4.070 7.951
149 1HB HIS 20 2HB HIS 20 1.779 1.859 5.985
150 2HB HIS 20 1HB HIS 20 3.043 1.695 7.200
151 HD1 HIS 20 1HD HIS 20 0.624 -0.204 7.188
152 HD2 HIS 20 2HD HIS 20 0.851 3.284 9.429
153 HE1 HIS 20 1HE HIS 20 -0.997 -0.519 9.086
154 HE2 HIS 20 2HE HIS 20 -0.771 1.566 10.482
155 H GLY 21 H GLY 21 3.500 3.396 4.755
156 1HA GLY 21 2HA GLY 21 6.154 3.275 5.347
157 2HA GLY 21 1HA GLY 21 5.540 4.020 3.880
158 H ARG 22 H ARG 22 4.170 6.159 5.382
159 HA ARG 22 HA ARG 22 6.236 7.588 6.790
160 1HB ARG 22 2HB ARG 22 5.692 8.088 3.937
161 2HB ARG 22 1HB ARG 22 5.707 9.526 4.948
162 1HG ARG 22 2HG ARG 22 7.943 7.650 5.347
163 2HG ARG 22 1HG ARG 22 7.894 8.486 3.794
164 1HD ARG 22 2HD ARG 22 8.310 10.511 4.719
165 2HD ARG 22 1HD ARG 22 7.417 10.143 6.193
166 HE ARG 22 HE ARG 22 10.226 9.704 5.700
167 1HH1 ARG 22 1HH1 ARG 22 7.471 8.864 7.674
168 2HH1 ARG 22 2HH1 ARG 22 8.435 8.326 9.006
169 1HH2 ARG 22 1HH2 ARG 22 11.493 8.994 7.453
170 2HH2 ARG 22 2HH2 ARG 22 10.716 8.399 8.882
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 10.013 -6.700 2.898
2 2H LYS 1 2HT LYS 1 11.623 -6.161 2.648
3 3H LYS 1 3HT LYS 1 10.649 -6.613 1.309
4 HA LYS 1 HA LYS 1 9.947 -4.423 3.132
5 1HB LYS 1 2HB LYS 1 12.238 -4.344 1.826
6 2HB LYS 1 1HB LYS 1 11.201 -3.993 0.449
7 1HG LYS 1 2HG LYS 1 10.571 -2.381 2.792
8 2HG LYS 1 1HG LYS 1 12.221 -2.155 2.209
9 1HD LYS 1 2HD LYS 1 11.402 -1.641 -0.012
10 2HD LYS 1 1HD LYS 1 9.744 -1.968 0.497
11 1HE LYS 1 2HE LYS 1 9.747 0.298 0.715
12 2HE LYS 1 1HE LYS 1 10.339 -0.137 2.317
13 1HZ LYS 1 1HZ LYS 1 11.860 0.905 0.013
14 2HZ LYS 1 2HZ LYS 1 12.639 0.065 1.257
15 3HZ LYS 1 3HZ LYS 1 11.801 1.494 1.598
16 H VAL 2 H VAL 2 8.520 -2.881 1.972
17 HA VAL 2 HA VAL 2 6.827 -4.268 -0.007
18 HB VAL 2 HB VAL 2 5.706 -4.088 2.185
19 1HG1 VAL 2 1HG1 VAL 2 6.798 -2.069 3.006
20 2HG1 VAL 2 2HG1 VAL 2 5.045 -1.886 3.041
21 3HG1 VAL 2 3HG1 VAL 2 5.986 -1.110 1.767
22 1HG2 VAL 2 1HG2 VAL 2 4.601 -3.735 -0.192
23 2HG2 VAL 2 2HG2 VAL 2 4.256 -2.137 0.472
24 3HG2 VAL 2 3HG2 VAL 2 3.663 -3.581 1.294
25 H GLY 3 H GLY 3 5.995 -3.059 -1.707
26 1HA GLY 3 2HA GLY 3 7.525 -0.888 -2.626
27 2HA GLY 3 1HA GLY 3 5.961 -1.375 -3.270
28 H ARG 4 H ARG 4 7.652 0.842 -1.263
29 HA ARG 4 HA ARG 4 5.728 1.910 0.347
30 1HB ARG 4 2HB ARG 4 8.237 2.557 -0.050
31 2HB ARG 4 1HB ARG 4 7.541 3.784 -1.102
32 1HG ARG 4 2HG ARG 4 6.276 4.702 0.718
33 2HG ARG 4 1HG ARG 4 6.800 3.398 1.787
34 1HD ARG 4 2HD ARG 4 9.041 4.174 1.779
35 2HD ARG 4 1HD ARG 4 8.724 5.286 0.448
36 HE ARG 4 HE ARG 4 7.110 5.865 2.725
37 1HH1 ARG 4 1HH1 ARG 4 10.315 6.258 1.399
38 2HH1 ARG 4 2HH1 ARG 4 10.652 7.692 2.309
39 1HH2 ARG 4 1HH2 ARG 4 7.552 7.751 3.923
40 2HH2 ARG 4 2HH2 ARG 4 9.084 8.540 3.743
41 H ASN 5 H ASN 5 5.973 2.223 -3.108
42 HA ASN 5 HA ASN 5 4.011 4.365 -3.192
43 1HB ASN 5 2HB ASN 5 6.073 3.974 -4.785
44 2HB ASN 5 1HB ASN 5 4.947 2.928 -5.644
45 1HD2 ASN 5 1HD2 ASN 5 4.998 4.297 -7.438
46 2HD2 ASN 5 2HD2 ASN 5 4.160 5.807 -7.453
47 H ASP 6 H ASP 6 3.797 1.147 -2.709
48 HA ASP 6 HA ASP 6 1.433 0.731 -4.382
49 1HB ASP 6 2HB ASP 6 3.036 -1.065 -4.478
50 2HB ASP 6 1HB ASP 6 3.114 -1.160 -2.724
51 HA PRO 7 HA PRO 7 -1.653 1.537 -1.336
52 1HB PRO 7 2HB PRO 7 -2.867 -1.050 -1.534
53 2HB PRO 7 1HB PRO 7 -3.409 0.463 -2.261
54 1HG PRO 7 2HG PRO 7 -1.845 -1.746 -3.450
55 2HG PRO 7 1HG PRO 7 -2.905 -0.564 -4.237
56 1HD PRO 7 2HD PRO 7 -0.236 -0.440 -4.485
57 2HD PRO 7 1HD PRO 7 -1.226 1.033 -4.377
58 H CYS 8 H CYS 8 -1.110 1.581 0.737
59 HA CYS 8 HA CYS 8 0.566 0.064 2.182
60 1HB CYS 8 2HB CYS 8 -0.785 2.124 2.900
61 2HB CYS 8 1HB CYS 8 -2.022 0.984 3.417
62 HG CYS 8 HG CYS 8 -0.076 -0.019 5.028
63 HA PRO 9 HA PRO 9 -1.055 -4.068 2.376
64 1HB PRO 9 2HB PRO 9 0.227 -4.838 4.695
65 2HB PRO 9 1HB PRO 9 0.965 -4.847 3.089
66 1HG PRO 9 2HG PRO 9 1.181 -2.806 5.264
67 2HG PRO 9 1HG PRO 9 2.440 -3.428 4.178
68 1HD PRO 9 2HD PRO 9 1.298 -1.040 3.768
69 2HD PRO 9 1HD PRO 9 1.753 -2.091 2.412
70 H CYS 10 H CYS 10 -1.392 -1.732 4.922
71 HA CYS 10 HA CYS 10 -2.898 -3.159 6.779
72 1HB CYS 10 2HB CYS 10 -3.709 -1.001 7.559
73 2HB CYS 10 1HB CYS 10 -1.996 -0.891 7.167
74 HG CYS 10 HG CYS 10 -4.273 0.422 5.520
75 H GLY 11 H GLY 11 -3.797 -1.800 3.694
76 1HA GLY 11 2HA GLY 11 -5.650 -2.442 2.417
77 2HA GLY 11 1HA GLY 11 -6.345 -3.195 3.843
78 H SER 12 H SER 12 -5.158 0.106 3.747
79 HA SER 12 HA SER 12 -7.809 1.045 4.495
80 1HB SER 12 2HB SER 12 -5.739 1.774 5.726
81 2HB SER 12 1HB SER 12 -5.255 2.650 4.274
82 HG SER 12 HG SER 12 -7.104 3.918 4.470
83 H GLY 13 H GLY 13 -5.428 1.487 1.921
84 1HA GLY 13 2HA GLY 13 -6.647 1.696 -0.314
85 2HA GLY 13 1HA GLY 13 -7.409 3.091 0.436
86 H LYS 14 H LYS 14 -5.037 3.962 1.838
87 HA LYS 14 HA LYS 14 -3.784 5.384 -0.347
88 1HB LYS 14 2HB LYS 14 -3.696 5.585 2.643
89 2HB LYS 14 1HB LYS 14 -2.470 6.391 1.675
90 1HG LYS 14 2HG LYS 14 -3.848 8.097 1.389
91 2HG LYS 14 1HG LYS 14 -4.963 7.034 0.529
92 1HD LYS 14 2HD LYS 14 -4.944 7.064 3.518
93 2HD LYS 14 1HD LYS 14 -5.773 8.346 2.633
94 1HE LYS 14 2HE LYS 14 -6.297 5.515 1.876
95 2HE LYS 14 1HE LYS 14 -7.025 6.141 3.355
96 1HZ LYS 14 1HZ LYS 14 -7.337 7.294 0.636
97 2HZ LYS 14 2HZ LYS 14 -8.009 7.936 2.049
98 3HZ LYS 14 3HZ LYS 14 -8.511 6.420 1.487
99 H LYS 15 H LYS 15 -1.604 5.327 -0.898
100 HA LYS 15 HA LYS 15 -0.321 2.839 -0.757
101 1HB LYS 15 2HB LYS 15 0.553 5.584 -1.583
102 2HB LYS 15 1HB LYS 15 1.742 4.294 -1.457
103 1HG LYS 15 2HG LYS 15 0.913 4.554 -3.738
104 2HG LYS 15 1HG LYS 15 0.516 2.968 -3.074
105 1HD LYS 15 2HD LYS 15 -1.398 3.834 -4.259
106 2HD LYS 15 1HD LYS 15 -1.749 3.811 -2.530
107 1HE LYS 15 2HE LYS 15 -2.285 5.963 -2.669
108 2HE LYS 15 1HE LYS 15 -0.599 6.315 -3.044
109 1HZ LYS 15 1HZ LYS 15 -2.231 5.389 -5.263
110 2HZ LYS 15 2HZ LYS 15 -1.051 6.600 -5.217
111 3HZ LYS 15 3HZ LYS 15 -2.616 6.922 -4.659
112 H TYR 16 H TYR 16 1.947 2.542 0.108
113 HA TYR 16 HA TYR 16 1.987 2.545 2.843
114 1HB TYR 16 2HB TYR 16 3.633 1.576 0.945
115 2HB TYR 16 1HB TYR 16 4.618 2.912 1.528
116 HD1 TYR 16 1HD TYR 16 2.336 0.949 3.681
117 HD2 TYR 16 2HD TYR 16 6.364 1.596 2.461
118 HE1 TYR 16 1HE TYR 16 3.119 -0.432 5.555
119 HE2 TYR 16 2HE TYR 16 7.157 0.213 4.334
120 HH TYR 16 HH TYR 16 6.119 -1.717 5.765
121 H LYS 17 H LYS 17 4.125 4.718 0.986
122 HA LYS 17 HA LYS 17 4.787 6.403 3.078
123 1HB LYS 17 2HB LYS 17 5.181 8.124 1.214
124 2HB LYS 17 1HB LYS 17 6.084 6.618 1.145
125 1HG LYS 17 2HG LYS 17 5.331 6.283 -0.905
126 2HG LYS 17 1HG LYS 17 3.686 6.195 -0.275
127 1HD LYS 17 2HD LYS 17 3.355 7.952 -1.656
128 2HD LYS 17 1HD LYS 17 4.038 8.867 -0.310
129 1HE LYS 17 2HE LYS 17 6.037 9.193 -1.367
130 2HE LYS 17 1HE LYS 17 5.916 7.698 -2.292
131 1HZ LYS 17 1HZ LYS 17 4.886 10.352 -2.908
132 2HZ LYS 17 2HZ LYS 17 3.912 9.044 -3.356
133 3HZ LYS 17 3HZ LYS 17 5.494 9.159 -3.943
134 H GLN 18 H GLN 18 1.840 6.240 1.289
135 HA GLN 18 HA GLN 18 0.970 8.879 2.162
136 1HB GLN 18 2HB GLN 18 -0.670 6.846 0.666
137 2HB GLN 18 1HB GLN 18 -0.900 8.589 0.735
138 1HG GLN 18 2HG GLN 18 1.597 7.447 -0.442
139 2HG GLN 18 1HG GLN 18 0.111 7.522 -1.388
140 1HE2 GLN 18 1HE2 GLN 18 -1.007 9.808 -0.953
141 2HE2 GLN 18 2HE2 GLN 18 0.038 11.147 -1.268
142 H CYS 19 H CYS 19 1.247 6.153 3.817
143 HA CYS 19 HA CYS 19 -1.092 6.760 5.425
144 1HB CYS 19 2HB CYS 19 -1.526 4.921 3.591
145 2HB CYS 19 1HB CYS 19 -0.713 3.876 4.753
146 HG CYS 19 HG CYS 19 -3.459 5.230 5.203
147 H HIS 20 H HIS 20 1.066 3.915 5.328
148 HA HIS 20 HA HIS 20 1.702 4.434 8.141
149 1HB HIS 20 2HB HIS 20 1.778 1.987 6.412
150 2HB HIS 20 1HB HIS 20 2.719 2.046 7.898
151 HD1 HIS 20 1HD HIS 20 0.280 0.114 7.414
152 HD2 HIS 20 2HD HIS 20 0.146 3.716 9.481
153 HE1 HIS 20 1HE HIS 20 -1.705 -0.064 8.947
154 HE2 HIS 20 2HE HIS 20 -1.712 2.090 10.252
155 H GLY 21 H GLY 21 3.169 4.303 4.994
156 1HA GLY 21 2HA GLY 21 5.834 3.892 5.565
157 2HA GLY 21 1HA GLY 21 5.258 4.941 4.280
158 H ARG 22 H ARG 22 3.900 6.653 6.382
159 HA ARG 22 HA ARG 22 5.773 8.668 6.589
160 1HB ARG 22 2HB ARG 22 3.142 8.135 7.633
161 2HB ARG 22 1HB ARG 22 4.126 8.912 8.865
162 1HG ARG 22 2HG ARG 22 4.603 10.754 7.372
163 2HG ARG 22 1HG ARG 22 3.711 9.959 6.073
164 1HD ARG 22 2HD ARG 22 1.957 11.149 6.783
165 2HD ARG 22 1HD ARG 22 1.879 9.994 8.111
166 HE ARG 22 HE ARG 22 2.827 12.734 8.223
167 1HH1 ARG 22 1HH1 ARG 22 2.590 9.646 9.843
168 2HH1 ARG 22 2HH1 ARG 22 2.866 10.313 11.415
169 1HH2 ARG 22 1HH2 ARG 22 3.190 13.606 10.293
170 2HH2 ARG 22 2HH2 ARG 22 3.206 12.558 11.672
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 10.827 -6.482 2.302
2 2H LYS 1 2HT LYS 1 9.428 -6.363 3.292
3 3H LYS 1 3HT LYS 1 10.950 -5.833 3.884
4 HA LYS 1 HA LYS 1 9.880 -3.912 3.335
5 1HB LYS 1 2HB LYS 1 11.671 -4.879 1.110
6 2HB LYS 1 1HB LYS 1 11.072 -3.228 1.175
7 1HG LYS 1 2HG LYS 1 12.355 -4.232 3.630
8 2HG LYS 1 1HG LYS 1 13.408 -4.010 2.232
9 1HD LYS 1 2HD LYS 1 12.824 -1.711 2.055
10 2HD LYS 1 1HD LYS 1 11.514 -1.889 3.224
11 1HE LYS 1 2HE LYS 1 12.898 -1.708 4.983
12 2HE LYS 1 1HE LYS 1 14.147 -2.695 4.226
13 1HZ LYS 1 1HZ LYS 1 14.406 -0.092 4.650
14 2HZ LYS 1 2HZ LYS 1 13.745 -0.048 3.095
15 3HZ LYS 1 3HZ LYS 1 15.179 -0.897 3.380
16 H VAL 2 H VAL 2 8.435 -2.698 2.084
17 HA VAL 2 HA VAL 2 6.915 -4.225 0.071
18 HB VAL 2 HB VAL 2 5.636 -4.026 2.176
19 1HG1 VAL 2 1HG1 VAL 2 5.953 -1.064 1.690
20 2HG1 VAL 2 2HG1 VAL 2 6.498 -1.991 3.089
21 3HG1 VAL 2 3HG1 VAL 2 4.774 -1.761 2.802
22 1HG2 VAL 2 1HG2 VAL 2 4.723 -3.724 -0.325
23 2HG2 VAL 2 2HG2 VAL 2 4.182 -2.193 0.367
24 3HG2 VAL 2 3HG2 VAL 2 3.671 -3.719 1.091
25 H GLY 3 H GLY 3 6.079 -3.068 -1.686
26 1HA GLY 3 2HA GLY 3 7.612 -0.894 -2.606
27 2HA GLY 3 1HA GLY 3 6.087 -1.434 -3.302
28 H ARG 4 H ARG 4 7.641 0.872 -1.281
29 HA ARG 4 HA ARG 4 5.646 1.941 0.225
30 1HB ARG 4 2HB ARG 4 8.146 2.649 -0.148
31 2HB ARG 4 1HB ARG 4 7.419 3.839 -1.223
32 1HG ARG 4 2HG ARG 4 6.096 4.729 0.558
33 2HG ARG 4 1HG ARG 4 6.635 3.453 1.653
34 1HD ARG 4 2HD ARG 4 9.002 4.497 0.805
35 2HD ARG 4 1HD ARG 4 7.973 5.927 0.834
36 HE ARG 4 HE ARG 4 7.916 5.811 3.126
37 1HH1 ARG 4 1HH1 ARG 4 9.233 2.837 1.856
38 2HH1 ARG 4 2HH1 ARG 4 9.733 2.252 3.407
39 1HH2 ARG 4 1HH2 ARG 4 8.575 5.039 5.165
40 2HH2 ARG 4 2HH2 ARG 4 9.360 3.500 5.285
41 H ASN 5 H ASN 5 5.981 2.176 -3.235
42 HA ASN 5 HA ASN 5 4.000 4.276 -3.441
43 1HB ASN 5 2HB ASN 5 5.935 4.134 -5.008
44 2HB ASN 5 1HB ASN 5 5.261 2.640 -5.650
45 1HD2 ASN 5 1HD2 ASN 5 4.440 6.030 -5.067
46 2HD2 ASN 5 2HD2 ASN 5 3.458 6.216 -6.475
47 H ASP 6 H ASP 6 3.772 1.087 -2.793
48 HA ASP 6 HA ASP 6 1.387 0.629 -4.429
49 1HB ASP 6 2HB ASP 6 2.843 -1.219 -4.592
50 2HB ASP 6 1HB ASP 6 3.215 -1.193 -2.872
51 HA PRO 7 HA PRO 7 -1.633 1.497 -1.338
52 1HB PRO 7 2HB PRO 7 -2.490 -1.327 -1.848
53 2HB PRO 7 1HB PRO 7 -3.471 0.139 -1.733
54 1HG PRO 7 2HG PRO 7 -2.857 -0.914 -4.108
55 2HG PRO 7 1HG PRO 7 -2.917 0.841 -3.868
56 1HD PRO 7 2HD PRO 7 -0.575 -0.932 -4.234
57 2HD PRO 7 1HD PRO 7 -0.753 0.794 -4.597
58 H CYS 8 H CYS 8 -1.064 1.582 0.734
59 HA CYS 8 HA CYS 8 0.646 0.074 2.166
60 1HB CYS 8 2HB CYS 8 -0.562 2.168 2.902
61 2HB CYS 8 1HB CYS 8 -1.910 1.138 3.368
62 HG CYS 8 HG CYS 8 0.069 -0.031 4.958
63 HA PRO 9 HA PRO 9 -0.979 -4.042 2.505
64 1HB PRO 9 2HB PRO 9 0.209 -4.672 4.932
65 2HB PRO 9 1HB PRO 9 0.978 -4.829 3.349
66 1HG PRO 9 2HG PRO 9 1.217 -2.638 5.368
67 2HG PRO 9 1HG PRO 9 2.467 -3.355 4.334
68 1HD PRO 9 2HD PRO 9 1.385 -0.978 3.757
69 2HD PRO 9 1HD PRO 9 1.807 -2.130 2.475
70 H CYS 10 H CYS 10 -1.416 -1.599 4.938
71 HA CYS 10 HA CYS 10 -3.011 -2.960 6.777
72 1HB CYS 10 2HB CYS 10 -3.850 -0.771 7.444
73 2HB CYS 10 1HB CYS 10 -2.117 -0.693 7.149
74 HG CYS 10 HG CYS 10 -2.706 1.243 5.768
75 H GLY 11 H GLY 11 -3.745 -1.769 3.592
76 1HA GLY 11 2HA GLY 11 -5.550 -2.339 2.251
77 2HA GLY 11 1HA GLY 11 -6.268 -3.169 3.623
78 H SER 12 H SER 12 -5.207 0.175 3.684
79 HA SER 12 HA SER 12 -7.917 0.990 4.361
80 1HB SER 12 2HB SER 12 -6.973 2.987 5.209
81 2HB SER 12 1HB SER 12 -5.817 1.725 5.635
82 HG SER 12 HG SER 12 -5.140 3.844 4.506
83 H GLY 13 H GLY 13 -5.566 1.362 1.796
84 1HA GLY 13 2HA GLY 13 -6.683 1.689 -0.429
85 2HA GLY 13 1HA GLY 13 -7.507 3.043 0.330
86 H LYS 14 H LYS 14 -5.033 3.747 1.840
87 HA LYS 14 HA LYS 14 -3.816 5.333 -0.275
88 1HB LYS 14 2HB LYS 14 -3.032 5.496 2.615
89 2HB LYS 14 1HB LYS 14 -3.029 6.760 1.394
90 1HG LYS 14 2HG LYS 14 -5.454 6.848 1.444
91 2HG LYS 14 1HG LYS 14 -5.492 5.533 2.620
92 1HD LYS 14 2HD LYS 14 -4.893 6.877 4.338
93 2HD LYS 14 1HD LYS 14 -3.813 7.851 3.337
94 1HE LYS 14 2HE LYS 14 -5.587 9.276 3.982
95 2HE LYS 14 1HE LYS 14 -5.879 8.853 2.296
96 1HZ LYS 14 1HZ LYS 14 -7.238 7.747 4.689
97 2HZ LYS 14 2HZ LYS 14 -7.407 7.092 3.139
98 3HZ LYS 14 3HZ LYS 14 -7.926 8.671 3.449
99 H LYS 15 H LYS 15 -1.646 5.287 -0.823
100 HA LYS 15 HA LYS 15 -0.331 2.824 -0.720
101 1HB LYS 15 2HB LYS 15 0.847 5.562 -1.229
102 2HB LYS 15 1HB LYS 15 1.631 4.033 -1.603
103 1HG LYS 15 2HG LYS 15 0.567 3.872 -3.537
104 2HG LYS 15 1HG LYS 15 -1.000 4.150 -2.774
105 1HD LYS 15 2HD LYS 15 0.796 6.489 -3.125
106 2HD LYS 15 1HD LYS 15 0.025 5.827 -4.567
107 1HE LYS 15 2HE LYS 15 -2.060 5.907 -2.817
108 2HE LYS 15 1HE LYS 15 -1.129 7.320 -2.321
109 1HZ LYS 15 1HZ LYS 15 -2.917 7.354 -4.285
110 2HZ LYS 15 2HZ LYS 15 -1.526 7.003 -5.181
111 3HZ LYS 15 3HZ LYS 15 -1.587 8.398 -4.227
112 H TYR 16 H TYR 16 2.036 2.674 0.097
113 HA TYR 16 HA TYR 16 2.017 2.538 2.858
114 1HB TYR 16 2HB TYR 16 3.679 1.632 0.948
115 2HB TYR 16 1HB TYR 16 4.647 2.969 1.552
116 HD1 TYR 16 1HD TYR 16 2.392 0.943 3.673
117 HD2 TYR 16 2HD TYR 16 6.411 1.653 2.458
118 HE1 TYR 16 1HE TYR 16 3.194 -0.459 5.524
119 HE2 TYR 16 2HE TYR 16 7.221 0.251 4.309
120 HH TYR 16 HH TYR 16 6.496 -0.581 6.444
121 H LYS 17 H LYS 17 4.089 4.808 1.038
122 HA LYS 17 HA LYS 17 4.744 6.443 3.182
123 1HB LYS 17 2HB LYS 17 5.335 8.145 1.520
124 2HB LYS 17 1HB LYS 17 5.901 6.554 1.032
125 1HG LYS 17 2HG LYS 17 4.499 6.444 -0.748
126 2HG LYS 17 1HG LYS 17 3.243 7.399 0.043
127 1HD LYS 17 2HD LYS 17 4.388 9.430 -0.396
128 2HD LYS 17 1HD LYS 17 5.853 8.577 -0.887
129 1HE LYS 17 2HE LYS 17 4.420 9.534 -2.748
130 2HE LYS 17 1HE LYS 17 4.873 7.836 -2.895
131 1HZ LYS 17 1HZ LYS 17 2.335 8.496 -1.585
132 2HZ LYS 17 2HZ LYS 17 2.752 7.139 -2.506
133 3HZ LYS 17 3HZ LYS 17 2.421 8.610 -3.271
134 H GLN 18 H GLN 18 1.803 6.256 1.389
135 HA GLN 18 HA GLN 18 0.862 8.855 2.281
136 1HB GLN 18 2HB GLN 18 0.318 7.250 0.086
137 2HB GLN 18 1HB GLN 18 -1.130 7.106 1.076
138 1HG GLN 18 2HG GLN 18 -0.609 9.806 1.120
139 2HG GLN 18 1HG GLN 18 -0.163 9.335 -0.520
140 1HE2 GLN 18 1HE2 GLN 18 -2.708 9.962 1.648
141 2HE2 GLN 18 2HE2 GLN 18 -4.019 9.590 0.587
142 H CYS 19 H CYS 19 1.236 6.110 3.921
143 HA CYS 19 HA CYS 19 -1.027 6.702 5.640
144 1HB CYS 19 2HB CYS 19 -1.539 4.858 3.825
145 2HB CYS 19 1HB CYS 19 -0.660 3.821 4.946
146 HG CYS 19 HG CYS 19 -3.335 3.934 5.360
147 H HIS 20 H HIS 20 1.205 3.927 5.368
148 HA HIS 20 HA HIS 20 2.039 4.477 8.132
149 1HB HIS 20 2HB HIS 20 1.698 1.989 6.546
150 2HB HIS 20 1HB HIS 20 3.000 2.012 7.729
151 HD1 HIS 20 1HD HIS 20 -0.468 1.207 7.446
152 HD2 HIS 20 2HD HIS 20 1.925 2.867 10.409
153 HE1 HIS 20 1HE HIS 20 -1.756 0.925 9.585
154 HE2 HIS 20 2HE HIS 20 -0.268 1.895 11.372
155 H GLY 21 H GLY 21 3.325 3.585 4.945
156 1HA GLY 21 2HA GLY 21 6.025 3.480 5.527
157 2HA GLY 21 1HA GLY 21 5.371 4.014 3.986
158 H ARG 22 H ARG 22 3.963 6.272 5.393
159 HA ARG 22 HA ARG 22 4.329 8.490 5.730
160 1HB ARG 22 2HB ARG 22 5.698 7.136 7.686
161 2HB ARG 22 1HB ARG 22 6.948 8.176 7.019
162 1HG ARG 22 2HG ARG 22 4.438 9.575 7.486
163 2HG ARG 22 1HG ARG 22 5.127 8.870 8.950
164 1HD ARG 22 2HD ARG 22 7.203 10.026 8.593
165 2HD ARG 22 1HD ARG 22 6.660 10.605 7.018
166 HE ARG 22 HE ARG 22 5.592 12.313 8.081
167 1HH1 ARG 22 1HH1 ARG 22 6.148 9.765 10.403
168 2HH1 ARG 22 2HH1 ARG 22 5.553 10.685 11.743
169 1HH2 ARG 22 1HH2 ARG 22 4.809 13.524 9.843
170 2HH2 ARG 22 2HH2 ARG 22 4.792 12.819 11.425
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 10.883 -5.851 1.983
2 2H LYS 1 2HT LYS 1 10.008 -5.413 3.395
3 3H LYS 1 3HT LYS 1 11.698 -5.124 3.305
4 HA LYS 1 HA LYS 1 10.280 -3.159 2.996
5 1HB LYS 1 2HB LYS 1 12.670 -3.856 1.949
6 2HB LYS 1 1HB LYS 1 11.775 -3.550 0.466
7 1HG LYS 1 2HG LYS 1 11.106 -1.352 1.839
8 2HG LYS 1 1HG LYS 1 12.686 -1.677 2.555
9 1HD LYS 1 2HD LYS 1 12.571 -1.890 -0.377
10 2HD LYS 1 1HD LYS 1 12.298 -0.270 0.269
11 1HE LYS 1 2HE LYS 1 14.527 -1.670 1.534
12 2HE LYS 1 1HE LYS 1 14.746 -1.426 -0.199
13 1HZ LYS 1 1HZ LYS 1 15.526 0.552 0.501
14 2HZ LYS 1 2HZ LYS 1 14.660 0.525 1.953
15 3HZ LYS 1 3HZ LYS 1 13.889 0.979 0.518
16 H VAL 2 H VAL 2 8.224 -2.854 2.431
17 HA VAL 2 HA VAL 2 7.099 -4.163 0.096
18 HB VAL 2 HB VAL 2 5.779 -4.020 2.177
19 1HG1 VAL 2 1HG1 VAL 2 5.900 -1.050 1.658
20 2HG1 VAL 2 2HG1 VAL 2 6.500 -1.920 3.071
21 3HG1 VAL 2 3HG1 VAL 2 4.765 -1.813 2.773
22 1HG2 VAL 2 1HG2 VAL 2 3.735 -3.638 1.137
23 2HG2 VAL 2 2HG2 VAL 2 4.802 -4.000 -0.219
24 3HG2 VAL 2 3HG2 VAL 2 4.373 -2.327 0.143
25 H GLY 3 H GLY 3 6.132 -3.064 -1.661
26 1HA GLY 3 2HA GLY 3 7.555 -0.869 -2.671
27 2HA GLY 3 1HA GLY 3 6.003 -1.435 -3.280
28 H ARG 4 H ARG 4 7.627 0.866 -1.277
29 HA ARG 4 HA ARG 4 5.658 1.931 0.264
30 1HB ARG 4 2HB ARG 4 8.157 2.625 -0.115
31 2HB ARG 4 1HB ARG 4 7.441 3.825 -1.187
32 1HG ARG 4 2HG ARG 4 6.160 4.754 0.594
33 2HG ARG 4 1HG ARG 4 6.633 3.447 1.683
34 1HD ARG 4 2HD ARG 4 7.846 5.658 1.965
35 2HD ARG 4 1HD ARG 4 8.849 4.217 1.817
36 HE ARG 4 HE ARG 4 8.560 6.361 -0.137
37 1HH1 ARG 4 1HH1 ARG 4 9.896 3.227 0.646
38 2HH1 ARG 4 2HH1 ARG 4 11.081 3.283 -0.614
39 1HH2 ARG 4 1HH2 ARG 4 10.117 6.427 -1.793
40 2HH2 ARG 4 2HH2 ARG 4 11.207 5.096 -1.996
41 H ASN 5 H ASN 5 5.930 2.177 -3.193
42 HA ASN 5 HA ASN 5 3.969 4.305 -3.354
43 1HB ASN 5 2HB ASN 5 5.972 3.976 -4.937
44 2HB ASN 5 1HB ASN 5 5.007 2.707 -5.686
45 1HD2 ASN 5 1HD2 ASN 5 3.801 3.303 -7.325
46 2HD2 ASN 5 2HD2 ASN 5 3.227 4.902 -7.643
47 H ASP 6 H ASP 6 3.722 1.110 -2.736
48 HA ASP 6 HA ASP 6 1.326 0.678 -4.362
49 1HB ASP 6 2HB ASP 6 2.769 -1.181 -4.526
50 2HB ASP 6 1HB ASP 6 3.142 -1.158 -2.808
51 HA PRO 7 HA PRO 7 -1.697 1.561 -1.275
52 1HB PRO 7 2HB PRO 7 -2.539 -1.272 -1.775
53 2HB PRO 7 1HB PRO 7 -3.530 0.188 -1.655
54 1HG PRO 7 2HG PRO 7 -2.922 -0.857 -4.032
55 2HG PRO 7 1HG PRO 7 -2.982 0.898 -3.790
56 1HD PRO 7 2HD PRO 7 -0.640 -0.873 -4.166
57 2HD PRO 7 1HD PRO 7 -0.821 0.854 -4.527
58 H CYS 8 H CYS 8 -1.114 1.664 0.794
59 HA CYS 8 HA CYS 8 0.599 0.180 2.240
60 1HB CYS 8 2HB CYS 8 -0.597 2.254 2.995
61 2HB CYS 8 1HB CYS 8 -1.978 1.243 3.404
62 HG CYS 8 HG CYS 8 -0.311 1.761 5.467
63 HA PRO 9 HA PRO 9 -0.939 -3.965 2.589
64 1HB PRO 9 2HB PRO 9 0.203 -4.526 5.063
65 2HB PRO 9 1HB PRO 9 1.002 -4.713 3.500
66 1HG PRO 9 2HG PRO 9 1.178 -2.470 5.465
67 2HG PRO 9 1HG PRO 9 2.454 -3.192 4.465
68 1HD PRO 9 2HD PRO 9 1.353 -0.845 3.815
69 2HD PRO 9 1HD PRO 9 1.792 -2.027 2.565
70 H CYS 10 H CYS 10 -1.484 -1.510 4.990
71 HA CYS 10 HA CYS 10 -3.091 -2.880 6.805
72 1HB CYS 10 2HB CYS 10 -3.993 -0.704 7.426
73 2HB CYS 10 1HB CYS 10 -2.258 -0.587 7.163
74 HG CYS 10 HG CYS 10 -2.785 1.261 5.660
75 H GLY 11 H GLY 11 -3.769 -1.826 3.571
76 1HA GLY 11 2HA GLY 11 -5.543 -2.432 2.212
77 2HA GLY 11 1HA GLY 11 -6.259 -3.268 3.580
78 H SER 12 H SER 12 -5.312 0.105 3.667
79 HA SER 12 HA SER 12 -8.071 0.828 4.244
80 1HB SER 12 2HB SER 12 -5.422 2.207 4.562
81 2HB SER 12 1HB SER 12 -6.919 3.140 4.612
82 HG SER 12 HG SER 12 -5.846 1.875 6.594
83 H GLY 13 H GLY 13 -5.614 1.341 1.795
84 1HA GLY 13 2HA GLY 13 -6.700 1.612 -0.477
85 2HA GLY 13 1HA GLY 13 -7.544 2.965 0.260
86 H LYS 14 H LYS 14 -5.070 3.636 1.827
87 HA LYS 14 HA LYS 14 -3.845 5.265 -0.250
88 1HB LYS 14 2HB LYS 14 -3.152 5.308 2.680
89 2HB LYS 14 1HB LYS 14 -2.951 6.590 1.495
90 1HG LYS 14 2HG LYS 14 -5.301 6.984 1.411
91 2HG LYS 14 1HG LYS 14 -5.628 5.553 2.391
92 1HD LYS 14 2HD LYS 14 -4.089 6.756 4.130
93 2HD LYS 14 1HD LYS 14 -4.508 8.200 3.206
94 1HE LYS 14 2HE LYS 14 -6.191 8.217 4.752
95 2HE LYS 14 1HE LYS 14 -6.951 7.256 3.484
96 1HZ LYS 14 1HZ LYS 14 -7.319 6.099 5.472
97 2HZ LYS 14 2HZ LYS 14 -5.729 6.308 6.008
98 3HZ LYS 14 3HZ LYS 14 -6.056 5.262 4.721
99 H LYS 15 H LYS 15 -1.639 5.295 -0.719
100 HA LYS 15 HA LYS 15 -0.331 2.783 -0.627
101 1HB LYS 15 2HB LYS 15 0.582 5.533 -1.454
102 2HB LYS 15 1HB LYS 15 1.644 4.133 -1.521
103 1HG LYS 15 2HG LYS 15 0.763 4.406 -3.688
104 2HG LYS 15 1HG LYS 15 -0.085 3.031 -2.981
105 1HD LYS 15 2HD LYS 15 -1.603 4.543 -4.194
106 2HD LYS 15 1HD LYS 15 -2.001 4.432 -2.479
107 1HE LYS 15 2HE LYS 15 -1.670 6.615 -2.174
108 2HE LYS 15 1HE LYS 15 -0.116 6.567 -3.005
109 1HZ LYS 15 1HZ LYS 15 -1.240 7.875 -4.443
110 2HZ LYS 15 2HZ LYS 15 -2.756 7.244 -4.038
111 3HZ LYS 15 3HZ LYS 15 -1.735 6.387 -5.079
112 H TYR 16 H TYR 16 1.979 2.580 0.164
113 HA TYR 16 HA TYR 16 2.088 2.700 2.914
114 1HB TYR 16 2HB TYR 16 3.669 1.647 0.969
115 2HB TYR 16 1HB TYR 16 4.691 2.955 1.547
116 HD1 TYR 16 1HD TYR 16 2.362 1.062 3.712
117 HD2 TYR 16 2HD TYR 16 6.401 1.589 2.472
118 HE1 TYR 16 1HE TYR 16 3.113 -0.339 5.583
119 HE2 TYR 16 2HE TYR 16 7.161 0.185 4.344
120 HH TYR 16 HH TYR 16 5.095 -0.737 6.910
121 H LYS 17 H LYS 17 4.033 4.789 0.764
122 HA LYS 17 HA LYS 17 4.958 6.550 2.678
123 1HB LYS 17 2HB LYS 17 5.113 8.215 0.783
124 2HB LYS 17 1HB LYS 17 5.889 6.664 0.494
125 1HG LYS 17 2HG LYS 17 4.028 5.941 -0.865
126 2HG LYS 17 1HG LYS 17 3.153 7.432 -0.504
127 1HD LYS 17 2HD LYS 17 5.786 7.245 -1.970
128 2HD LYS 17 1HD LYS 17 4.209 7.504 -2.718
129 1HE LYS 17 2HE LYS 17 5.596 9.337 -0.765
130 2HE LYS 17 1HE LYS 17 5.388 9.610 -2.493
131 1HZ LYS 17 1HZ LYS 17 3.585 10.738 -1.839
132 2HZ LYS 17 2HZ LYS 17 3.508 9.978 -0.330
133 3HZ LYS 17 3HZ LYS 17 2.859 9.218 -1.694
134 H GLN 18 H GLN 18 1.818 6.387 1.192
135 HA GLN 18 HA GLN 18 1.010 8.975 2.240
136 1HB GLN 18 2HB GLN 18 0.194 7.342 0.093
137 2HB GLN 18 1HB GLN 18 -1.169 7.404 1.204
138 1HG GLN 18 2HG GLN 18 -0.410 10.019 1.107
139 2HG GLN 18 1HG GLN 18 -0.048 9.475 -0.531
140 1HE2 GLN 18 1HE2 GLN 18 -1.674 9.174 -1.934
141 2HE2 GLN 18 2HE2 GLN 18 -3.349 9.363 -1.555
142 H CYS 19 H CYS 19 1.478 6.149 3.716
143 HA CYS 19 HA CYS 19 -0.575 6.711 5.683
144 1HB CYS 19 2HB CYS 19 -1.506 5.109 3.938
145 2HB CYS 19 1HB CYS 19 -0.372 3.917 4.565
146 HG CYS 19 HG CYS 19 -2.749 5.075 6.208
147 H HIS 20 H HIS 20 0.395 3.559 6.171
148 HA HIS 20 HA HIS 20 1.931 4.182 8.432
149 1HB HIS 20 2HB HIS 20 1.520 1.632 6.884
150 2HB HIS 20 1HB HIS 20 2.541 1.697 8.316
151 HD1 HIS 20 1HD HIS 20 -0.170 0.070 8.049
152 HD2 HIS 20 2HD HIS 20 0.314 3.747 9.924
153 HE1 HIS 20 1HE HIS 20 -2.066 0.241 9.693
154 HE2 HIS 20 2HE HIS 20 -1.705 2.437 10.874
155 H GLY 21 H GLY 21 2.831 3.980 5.125
156 1HA GLY 21 2HA GLY 21 5.426 3.078 5.147
157 2HA GLY 21 1HA GLY 21 4.858 4.373 4.105
158 H ARG 22 H ARG 22 4.218 6.057 6.486
159 HA ARG 22 HA ARG 22 6.715 7.404 6.644
160 1HB ARG 22 2HB ARG 22 4.004 7.962 7.288
161 2HB ARG 22 1HB ARG 22 4.959 8.259 8.734
162 1HG ARG 22 2HG ARG 22 5.995 9.356 6.191
163 2HG ARG 22 1HG ARG 22 4.551 10.108 6.871
164 1HD ARG 22 2HD ARG 22 7.119 9.661 8.385
165 2HD ARG 22 1HD ARG 22 6.684 11.169 7.589
166 HE ARG 22 HE ARG 22 5.016 11.524 9.200
167 1HH1 ARG 22 1HH1 ARG 22 6.775 8.560 9.791
168 2HH1 ARG 22 2HH1 ARG 22 6.232 8.424 11.429
169 1HH2 ARG 22 1HH2 ARG 22 4.307 11.337 11.350
170 2HH2 ARG 22 2HH2 ARG 22 4.832 9.997 12.313
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 11.198 -5.709 3.824
2 2H LYS 1 2HT LYS 1 10.435 -6.534 2.528
3 3H LYS 1 3HT LYS 1 9.493 -5.879 3.804
4 HA LYS 1 HA LYS 1 10.127 -3.683 3.194
5 1HB LYS 1 2HB LYS 1 11.805 -5.222 1.235
6 2HB LYS 1 1HB LYS 1 11.302 -3.577 0.870
7 1HG LYS 1 2HG LYS 1 12.280 -3.209 3.341
8 2HG LYS 1 1HG LYS 1 13.276 -4.569 2.820
9 1HD LYS 1 2HD LYS 1 12.962 -2.428 0.831
10 2HD LYS 1 1HD LYS 1 13.829 -1.961 2.296
11 1HE LYS 1 2HE LYS 1 14.981 -4.352 1.762
12 2HE LYS 1 1HE LYS 1 14.610 -3.796 0.131
13 1HZ LYS 1 1HZ LYS 1 15.846 -1.799 0.521
14 2HZ LYS 1 2HZ LYS 1 16.828 -3.117 0.921
15 3HZ LYS 1 3HZ LYS 1 16.101 -2.202 2.145
16 H VAL 2 H VAL 2 8.508 -2.659 2.161
17 HA VAL 2 HA VAL 2 6.982 -4.186 0.150
18 HB VAL 2 HB VAL 2 5.746 -3.972 2.282
19 1HG1 VAL 2 1HG1 VAL 2 5.971 -1.008 1.750
20 2HG1 VAL 2 2HG1 VAL 2 6.658 -1.897 3.111
21 3HG1 VAL 2 3HG1 VAL 2 4.909 -1.739 2.954
22 1HG2 VAL 2 1HG2 VAL 2 3.737 -3.626 1.260
23 2HG2 VAL 2 2HG2 VAL 2 4.757 -3.756 -0.172
24 3HG2 VAL 2 3HG2 VAL 2 4.283 -2.168 0.431
25 H GLY 3 H GLY 3 6.115 -3.045 -1.599
26 1HA GLY 3 2HA GLY 3 7.628 -0.870 -2.553
27 2HA GLY 3 1HA GLY 3 6.102 -1.426 -3.231
28 H ARG 4 H ARG 4 7.656 0.886 -1.204
29 HA ARG 4 HA ARG 4 5.660 1.970 0.286
30 1HB ARG 4 2HB ARG 4 8.163 2.667 -0.084
31 2HB ARG 4 1HB ARG 4 7.449 3.846 -1.178
32 1HG ARG 4 2HG ARG 4 6.152 4.799 0.578
33 2HG ARG 4 1HG ARG 4 6.629 3.514 1.694
34 1HD ARG 4 2HD ARG 4 9.050 4.366 1.067
35 2HD ARG 4 1HD ARG 4 8.177 5.854 0.705
36 HE ARG 4 HE ARG 4 7.552 4.739 3.281
37 1HH1 ARG 4 1HH1 ARG 4 9.728 6.816 1.510
38 2HH1 ARG 4 2HH1 ARG 4 10.209 7.715 2.910
39 1HH2 ARG 4 1HH2 ARG 4 8.186 5.920 5.123
40 2HH2 ARG 4 2HH2 ARG 4 9.334 7.207 4.960
41 H ASN 5 H ASN 5 6.014 2.193 -3.173
42 HA ASN 5 HA ASN 5 4.027 4.288 -3.399
43 1HB ASN 5 2HB ASN 5 6.120 3.792 -4.938
44 2HB ASN 5 1HB ASN 5 4.978 2.737 -5.767
45 1HD2 ASN 5 1HD2 ASN 5 2.963 3.716 -6.498
46 2HD2 ASN 5 2HD2 ASN 5 2.979 5.365 -7.015
47 H ASP 6 H ASP 6 3.800 1.098 -2.756
48 HA ASP 6 HA ASP 6 1.440 0.628 -4.427
49 1HB ASP 6 2HB ASP 6 3.044 -1.168 -4.504
50 2HB ASP 6 1HB ASP 6 3.143 -1.226 -2.748
51 HA PRO 7 HA PRO 7 -1.610 1.489 -1.365
52 1HB PRO 7 2HB PRO 7 -2.863 -1.077 -1.520
53 2HB PRO 7 1HB PRO 7 -3.379 0.428 -2.282
54 1HG PRO 7 2HG PRO 7 -1.837 -1.828 -3.416
55 2HG PRO 7 1HG PRO 7 -2.895 -0.664 -4.230
56 1HD PRO 7 2HD PRO 7 -0.229 -0.553 -4.493
57 2HD PRO 7 1HD PRO 7 -1.211 0.925 -4.411
58 H CYS 8 H CYS 8 -1.090 1.540 0.713
59 HA CYS 8 HA CYS 8 0.592 0.031 2.165
60 1HB CYS 8 2HB CYS 8 -0.750 2.097 2.873
61 2HB CYS 8 1HB CYS 8 -1.997 0.968 3.387
62 HG CYS 8 HG CYS 8 0.738 1.362 4.762
63 HA PRO 9 HA PRO 9 -1.026 -4.099 2.380
64 1HB PRO 9 2HB PRO 9 0.232 -4.842 4.723
65 2HB PRO 9 1HB PRO 9 0.981 -4.879 3.125
66 1HG PRO 9 2HG PRO 9 1.191 -2.808 5.270
67 2HG PRO 9 1HG PRO 9 2.453 -3.447 4.198
68 1HD PRO 9 2HD PRO 9 1.320 -1.060 3.754
69 2HD PRO 9 1HD PRO 9 1.775 -2.130 2.412
70 H CYS 10 H CYS 10 -1.394 -1.746 4.905
71 HA CYS 10 HA CYS 10 -2.925 -3.170 6.750
72 1HB CYS 10 2HB CYS 10 -3.736 -1.008 7.522
73 2HB CYS 10 1HB CYS 10 -2.016 -0.910 7.157
74 HG CYS 10 HG CYS 10 -2.775 1.117 5.960
75 H GLY 11 H GLY 11 -3.785 -1.782 3.663
76 1HA GLY 11 2HA GLY 11 -5.625 -2.368 2.353
77 2HA GLY 11 1HA GLY 11 -6.318 -3.196 3.740
78 H SER 12 H SER 12 -5.188 0.133 3.761
79 HA SER 12 HA SER 12 -7.851 0.993 4.559
80 1HB SER 12 2HB SER 12 -5.193 2.436 4.490
81 2HB SER 12 1HB SER 12 -6.704 3.180 5.012
82 HG SER 12 HG SER 12 -5.182 2.097 6.622
83 H GLY 13 H GLY 13 -5.460 1.687 2.032
84 1HA GLY 13 2HA GLY 13 -6.786 1.907 -0.192
85 2HA GLY 13 1HA GLY 13 -7.461 3.311 0.621
86 H LYS 14 H LYS 14 -5.063 4.122 1.944
87 HA LYS 14 HA LYS 14 -3.790 5.480 -0.271
88 1HB LYS 14 2HB LYS 14 -3.738 5.739 2.707
89 2HB LYS 14 1HB LYS 14 -2.423 6.440 1.773
90 1HG LYS 14 2HG LYS 14 -3.827 7.956 0.703
91 2HG LYS 14 1HG LYS 14 -5.280 7.044 1.114
92 1HD LYS 14 2HD LYS 14 -5.358 7.868 3.249
93 2HD LYS 14 1HD LYS 14 -3.611 8.099 3.338
94 1HE LYS 14 2HE LYS 14 -4.036 10.268 3.024
95 2HE LYS 14 1HE LYS 14 -4.360 9.838 1.346
96 1HZ LYS 14 1HZ LYS 14 -6.563 9.514 3.222
97 2HZ LYS 14 2HZ LYS 14 -6.576 10.060 1.621
98 3HZ LYS 14 3HZ LYS 14 -6.109 11.105 2.866
99 H LYS 15 H LYS 15 -1.611 5.364 -0.826
100 HA LYS 15 HA LYS 15 -0.396 2.843 -0.658
101 1HB LYS 15 2HB LYS 15 0.796 5.530 -1.360
102 2HB LYS 15 1HB LYS 15 1.625 3.994 -1.577
103 1HG LYS 15 2HG LYS 15 0.711 3.828 -3.582
104 2HG LYS 15 1HG LYS 15 -0.877 3.715 -2.823
105 1HD LYS 15 2HD LYS 15 0.200 6.441 -3.029
106 2HD LYS 15 1HD LYS 15 -0.128 5.657 -4.576
107 1HE LYS 15 2HE LYS 15 -2.326 5.900 -4.321
108 2HE LYS 15 1HE LYS 15 -2.278 5.210 -2.699
109 1HZ LYS 15 1HZ LYS 15 -1.869 8.040 -3.476
110 2HZ LYS 15 2HZ LYS 15 -1.486 7.448 -1.938
111 3HZ LYS 15 3HZ LYS 15 -3.085 7.400 -2.486
112 H TYR 16 H TYR 16 1.951 2.601 0.142
113 HA TYR 16 HA TYR 16 2.001 2.575 2.887
114 1HB TYR 16 2HB TYR 16 3.631 1.616 0.972
115 2HB TYR 16 1HB TYR 16 4.617 2.955 1.544
116 HD1 TYR 16 1HD TYR 16 2.358 0.917 3.662
117 HD2 TYR 16 2HD TYR 16 6.379 1.720 2.516
118 HE1 TYR 16 1HE TYR 16 3.159 -0.456 5.535
119 HE2 TYR 16 2HE TYR 16 7.190 0.347 4.391
120 HH TYR 16 HH TYR 16 5.120 -0.757 6.895
121 H LYS 17 H LYS 17 4.159 4.743 1.051
122 HA LYS 17 HA LYS 17 4.804 6.428 3.142
123 1HB LYS 17 2HB LYS 17 5.185 8.158 1.272
124 2HB LYS 17 1HB LYS 17 6.109 6.663 1.217
125 1HG LYS 17 2HG LYS 17 5.042 5.907 -0.640
126 2HG LYS 17 1HG LYS 17 3.530 6.722 -0.240
127 1HD LYS 17 2HD LYS 17 5.745 8.552 -0.776
128 2HD LYS 17 1HD LYS 17 5.322 7.530 -2.151
129 1HE LYS 17 2HE LYS 17 2.966 8.231 -1.898
130 2HE LYS 17 1HE LYS 17 3.453 9.313 -0.593
131 1HZ LYS 17 1HZ LYS 17 4.230 9.475 -3.450
132 2HZ LYS 17 2HZ LYS 17 4.960 10.400 -2.237
133 3HZ LYS 17 3HZ LYS 17 3.312 10.589 -2.567
134 H GLN 18 H GLN 18 1.902 6.311 1.257
135 HA GLN 18 HA GLN 18 0.989 8.911 2.203
136 1HB GLN 18 2HB GLN 18 -0.571 6.920 0.570
137 2HB GLN 18 1HB GLN 18 -0.848 8.651 0.715
138 1HG GLN 18 2HG GLN 18 1.792 7.891 -0.329
139 2HG GLN 18 1HG GLN 18 0.420 7.478 -1.356
140 1HE2 GLN 18 1HE2 GLN 18 1.229 8.997 -2.877
141 2HE2 GLN 18 2HE2 GLN 18 0.951 10.688 -2.665
142 H CYS 19 H CYS 19 1.235 6.140 3.769
143 HA CYS 19 HA CYS 19 -1.165 6.659 5.316
144 1HB CYS 19 2HB CYS 19 -1.509 4.882 3.404
145 2HB CYS 19 1HB CYS 19 -0.715 3.807 4.555
146 HG CYS 19 HG CYS 19 -2.788 3.678 5.855
147 H HIS 20 H HIS 20 1.092 3.885 5.173
148 HA HIS 20 HA HIS 20 1.810 4.507 7.965
149 1HB HIS 20 2HB HIS 20 1.654 1.815 6.599
150 2HB HIS 20 1HB HIS 20 2.232 2.076 8.240
151 HD1 HIS 20 1HD HIS 20 -0.259 0.309 7.543
152 HD2 HIS 20 2HD HIS 20 -0.390 4.272 8.785
153 HE1 HIS 20 1HE HIS 20 -2.549 0.628 8.533
154 HE2 HIS 20 2HE HIS 20 -2.639 3.059 9.188
155 H GLY 21 H GLY 21 3.003 3.477 4.826
156 1HA GLY 21 2HA GLY 21 5.590 2.771 5.286
157 2HA GLY 21 1HA GLY 21 5.101 3.731 3.899
158 H ARG 22 H ARG 22 4.253 5.986 5.616
159 HA ARG 22 HA ARG 22 6.939 7.041 6.176
160 1HB ARG 22 2HB ARG 22 4.671 8.107 4.794
161 2HB ARG 22 1HB ARG 22 5.008 9.124 6.187
162 1HG ARG 22 2HG ARG 22 7.499 8.827 5.217
163 2HG ARG 22 1HG ARG 22 6.563 8.706 3.725
164 1HD ARG 22 2HD ARG 22 6.571 10.967 5.715
165 2HD ARG 22 1HD ARG 22 7.143 11.000 4.050
166 HE ARG 22 HE ARG 22 4.917 11.022 3.302
167 1HH1 ARG 22 1HH1 ARG 22 5.116 11.024 6.794
168 2HH1 ARG 22 2HH1 ARG 22 3.484 11.557 7.005
169 1HH2 ARG 22 1HH2 ARG 22 2.774 11.720 3.589
170 2HH2 ARG 22 2HH2 ARG 22 2.156 11.950 5.190
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 9.454 -3.047 3.964
2 2H LYS 1 2HT LYS 1 10.542 -4.306 4.382
3 3H LYS 1 3HT LYS 1 8.987 -4.685 3.763
4 HA LYS 1 HA LYS 1 10.934 -3.113 2.240
5 1HB LYS 1 2HB LYS 1 10.989 -5.937 2.966
6 2HB LYS 1 1HB LYS 1 10.949 -5.701 1.224
7 1HG LYS 1 2HG LYS 1 12.848 -3.961 2.601
8 2HG LYS 1 1HG LYS 1 13.191 -5.682 2.780
9 1HD LYS 1 2HD LYS 1 14.337 -4.804 0.832
10 2HD LYS 1 1HD LYS 1 13.078 -5.937 0.333
11 1HE LYS 1 2HE LYS 1 11.734 -3.559 0.342
12 2HE LYS 1 1HE LYS 1 13.345 -3.065 -0.176
13 1HZ LYS 1 1HZ LYS 1 11.376 -4.701 -1.549
14 2HZ LYS 1 2HZ LYS 1 12.983 -5.205 -1.702
15 3HZ LYS 1 3HZ LYS 1 12.538 -3.646 -2.180
16 H VAL 2 H VAL 2 8.010 -2.990 2.588
17 HA VAL 2 HA VAL 2 6.896 -4.189 0.201
18 HB VAL 2 HB VAL 2 5.542 -3.983 2.266
19 1HG1 VAL 2 1HG1 VAL 2 4.599 -1.746 2.823
20 2HG1 VAL 2 2HG1 VAL 2 5.757 -1.025 1.705
21 3HG1 VAL 2 3HG1 VAL 2 6.330 -1.888 3.134
22 1HG2 VAL 2 1HG2 VAL 2 4.064 -2.243 0.406
23 2HG2 VAL 2 2HG2 VAL 2 3.627 -3.812 1.085
24 3HG2 VAL 2 3HG2 VAL 2 4.723 -3.722 -0.295
25 H GLY 3 H GLY 3 6.085 -3.061 -1.592
26 1HA GLY 3 2HA GLY 3 7.611 -0.897 -2.515
27 2HA GLY 3 1HA GLY 3 6.081 -1.424 -3.207
28 H ARG 4 H ARG 4 7.653 0.839 -1.127
29 HA ARG 4 HA ARG 4 5.649 1.942 0.333
30 1HB ARG 4 2HB ARG 4 8.172 2.593 0.041
31 2HB ARG 4 1HB ARG 4 7.519 3.797 -1.063
32 1HG ARG 4 2HG ARG 4 6.178 4.750 0.675
33 2HG ARG 4 1HG ARG 4 6.640 3.461 1.792
34 1HD ARG 4 2HD ARG 4 8.894 4.224 1.863
35 2HD ARG 4 1HD ARG 4 8.623 5.344 0.529
36 HE ARG 4 HE ARG 4 6.962 5.850 2.820
37 1HH1 ARG 4 1HH1 ARG 4 10.070 6.452 1.353
38 2HH1 ARG 4 2HH1 ARG 4 10.334 7.926 2.221
39 1HH2 ARG 4 1HH2 ARG 4 7.307 7.789 3.962
40 2HH2 ARG 4 2HH2 ARG 4 8.766 8.686 3.703
41 H ASN 5 H ASN 5 6.051 2.184 -3.113
42 HA ASN 5 HA ASN 5 4.123 4.335 -3.344
43 1HB ASN 5 2HB ASN 5 6.179 3.998 -4.849
44 2HB ASN 5 1HB ASN 5 5.242 2.730 -5.634
45 1HD2 ASN 5 1HD2 ASN 5 5.916 4.535 -7.309
46 2HD2 ASN 5 2HD2 ASN 5 4.658 5.665 -7.656
47 H ASP 6 H ASP 6 3.813 1.147 -2.735
48 HA ASP 6 HA ASP 6 1.461 0.761 -4.441
49 1HB ASP 6 2HB ASP 6 3.029 -1.062 -4.570
50 2HB ASP 6 1HB ASP 6 3.125 -1.173 -2.816
51 HA PRO 7 HA PRO 7 -1.604 1.584 -1.382
52 1HB PRO 7 2HB PRO 7 -2.850 -0.989 -1.606
53 2HB PRO 7 1HB PRO 7 -3.380 0.542 -2.301
54 1HG PRO 7 2HG PRO 7 -1.858 -1.663 -3.545
55 2HG PRO 7 1HG PRO 7 -2.897 -0.445 -4.301
56 1HD PRO 7 2HD PRO 7 -0.226 -0.372 -4.555
57 2HD PRO 7 1HD PRO 7 -1.186 1.116 -4.422
58 H CYS 8 H CYS 8 -1.113 1.594 0.700
59 HA CYS 8 HA CYS 8 0.552 0.041 2.138
60 1HB CYS 8 2HB CYS 8 -0.710 2.115 2.890
61 2HB CYS 8 1HB CYS 8 -2.040 1.044 3.316
62 HG CYS 8 HG CYS 8 0.704 0.584 4.676
63 HA PRO 9 HA PRO 9 -1.177 -4.047 2.286
64 1HB PRO 9 2HB PRO 9 0.122 -4.916 4.547
65 2HB PRO 9 1HB PRO 9 0.845 -4.876 2.937
66 1HG PRO 9 2HG PRO 9 1.113 -2.923 5.186
67 2HG PRO 9 1HG PRO 9 2.353 -3.527 4.069
68 1HD PRO 9 2HD PRO 9 1.238 -1.104 3.762
69 2HD PRO 9 1HD PRO 9 1.694 -2.102 2.368
70 H CYS 10 H CYS 10 -1.460 -1.734 4.847
71 HA CYS 10 HA CYS 10 -2.937 -3.171 6.725
72 1HB CYS 10 2HB CYS 10 -3.704 -1.030 7.556
73 2HB CYS 10 1HB CYS 10 -2.012 -0.896 7.090
74 HG CYS 10 HG CYS 10 -3.042 1.171 6.085
75 H GLY 11 H GLY 11 -3.888 -1.771 3.669
76 1HA GLY 11 2HA GLY 11 -5.761 -2.396 2.413
77 2HA GLY 11 1HA GLY 11 -6.431 -3.172 3.841
78 H SER 12 H SER 12 -5.249 0.134 3.751
79 HA SER 12 HA SER 12 -7.879 1.061 4.580
80 1HB SER 12 2HB SER 12 -5.163 2.376 4.474
81 2HB SER 12 1HB SER 12 -6.633 3.267 4.866
82 HG SER 12 HG SER 12 -6.910 1.984 6.667
83 H GLY 13 H GLY 13 -5.660 1.340 1.878
84 1HA GLY 13 2HA GLY 13 -6.915 1.617 -0.291
85 2HA GLY 13 1HA GLY 13 -7.653 3.013 0.479
86 H LYS 14 H LYS 14 -5.082 3.697 1.815
87 HA LYS 14 HA LYS 14 -3.939 5.162 -0.429
88 1HB LYS 14 2HB LYS 14 -3.147 5.418 2.467
89 2HB LYS 14 1HB LYS 14 -2.941 6.595 1.177
90 1HG LYS 14 2HG LYS 14 -4.922 7.499 1.582
91 2HG LYS 14 1HG LYS 14 -5.723 5.929 1.515
92 1HD LYS 14 2HD LYS 14 -5.697 5.673 3.765
93 2HD LYS 14 1HD LYS 14 -4.134 6.469 3.943
94 1HE LYS 14 2HE LYS 14 -5.090 8.422 4.430
95 2HE LYS 14 1HE LYS 14 -6.172 8.315 3.043
96 1HZ LYS 14 1HZ LYS 14 -6.595 7.337 5.793
97 2HZ LYS 14 2HZ LYS 14 -7.461 6.668 4.502
98 3HZ LYS 14 3HZ LYS 14 -7.598 8.318 4.847
99 H LYS 15 H LYS 15 -1.550 5.388 -0.554
100 HA LYS 15 HA LYS 15 -0.337 2.800 -0.623
101 1HB LYS 15 2HB LYS 15 1.189 5.358 -0.975
102 2HB LYS 15 1HB LYS 15 1.450 3.801 -1.752
103 1HG LYS 15 2HG LYS 15 -0.711 5.808 -2.319
104 2HG LYS 15 1HG LYS 15 0.583 5.266 -3.389
105 1HD LYS 15 2HD LYS 15 -0.786 2.944 -2.629
106 2HD LYS 15 1HD LYS 15 -2.038 4.141 -2.967
107 1HE LYS 15 2HE LYS 15 0.126 3.131 -4.789
108 2HE LYS 15 1HE LYS 15 -1.620 3.050 -5.014
109 1HZ LYS 15 1HZ LYS 15 -1.420 5.624 -4.946
110 2HZ LYS 15 2HZ LYS 15 -1.056 4.789 -6.370
111 3HZ LYS 15 3HZ LYS 15 0.193 5.333 -5.368
112 H TYR 16 H TYR 16 2.126 2.825 0.132
113 HA TYR 16 HA TYR 16 2.069 2.639 2.932
114 1HB TYR 16 2HB TYR 16 3.713 1.702 0.991
115 2HB TYR 16 1HB TYR 16 4.709 2.994 1.651
116 HD1 TYR 16 1HD TYR 16 2.345 0.930 3.621
117 HD2 TYR 16 2HD TYR 16 6.415 1.660 2.607
118 HE1 TYR 16 1HE TYR 16 3.058 -0.542 5.453
119 HE2 TYR 16 2HE TYR 16 7.139 0.189 4.441
120 HH TYR 16 HH TYR 16 5.027 -1.899 6.066
121 H LYS 17 H LYS 17 4.094 4.855 0.998
122 HA LYS 17 HA LYS 17 4.835 6.522 3.102
123 1HB LYS 17 2HB LYS 17 5.276 8.228 1.306
124 2HB LYS 17 1HB LYS 17 6.031 6.662 1.043
125 1HG LYS 17 2HG LYS 17 4.789 6.215 -0.787
126 2HG LYS 17 1HG LYS 17 3.364 7.045 -0.159
127 1HD LYS 17 2HD LYS 17 4.399 9.204 -0.645
128 2HD LYS 17 1HD LYS 17 5.840 8.384 -1.250
129 1HE LYS 17 2HE LYS 17 3.386 7.440 -2.503
130 2HE LYS 17 1HE LYS 17 3.659 9.164 -2.748
131 1HZ LYS 17 1HZ LYS 17 5.785 8.714 -3.696
132 2HZ LYS 17 2HZ LYS 17 4.659 7.723 -4.477
133 3HZ LYS 17 3HZ LYS 17 5.689 7.071 -3.305
134 H GLN 18 H GLN 18 1.866 6.330 1.354
135 HA GLN 18 HA GLN 18 0.955 8.949 2.223
136 1HB GLN 18 2HB GLN 18 0.308 7.182 0.107
137 2HB GLN 18 1HB GLN 18 -1.138 7.348 1.095
138 1HG GLN 18 2HG GLN 18 0.446 9.628 -0.072
139 2HG GLN 18 1HG GLN 18 -1.051 8.975 -0.735
140 1HE2 GLN 18 1HE2 GLN 18 -0.355 11.657 0.311
141 2HE2 GLN 18 2HE2 GLN 18 -1.538 11.993 1.524
142 H CYS 19 H CYS 19 1.281 6.106 3.776
143 HA CYS 19 HA CYS 19 -0.846 6.763 5.637
144 1HB CYS 19 2HB CYS 19 -1.564 5.015 3.788
145 2HB CYS 19 1HB CYS 19 -0.689 3.893 4.827
146 HG CYS 19 HG CYS 19 -2.715 5.451 6.425
147 H HIS 20 H HIS 20 1.235 3.914 5.079
148 HA HIS 20 HA HIS 20 2.146 4.124 7.846
149 1HB HIS 20 2HB HIS 20 2.068 1.946 5.813
150 2HB HIS 20 1HB HIS 20 3.338 1.882 7.029
151 HD1 HIS 20 1HD HIS 20 1.070 -0.231 6.912
152 HD2 HIS 20 2HD HIS 20 1.040 3.145 9.330
153 HE1 HIS 20 1HE HIS 20 -0.498 -0.773 8.801
154 HE2 HIS 20 2HE HIS 20 -0.575 1.321 10.201
155 H GLY 21 H GLY 21 4.032 2.840 5.149
156 1HA GLY 21 2HA GLY 21 6.194 3.251 4.501
157 2HA GLY 21 1HA GLY 21 5.714 4.939 4.580
158 H ARG 22 H ARG 22 6.053 6.092 6.544
159 HA ARG 22 HA ARG 22 8.417 5.137 7.971
160 1HB ARG 22 2HB ARG 22 8.564 7.475 8.800
161 2HB ARG 22 1HB ARG 22 8.595 7.358 7.046
162 1HG ARG 22 2HG ARG 22 6.272 8.024 6.926
163 2HG ARG 22 1HG ARG 22 6.170 8.059 8.687
164 1HD ARG 22 2HD ARG 22 8.005 9.780 7.023
165 2HD ARG 22 1HD ARG 22 6.456 10.302 7.684
166 HE ARG 22 HE ARG 22 7.922 9.360 9.823
167 1HH1 ARG 22 1HH1 ARG 22 8.254 11.880 7.431
168 2HH1 ARG 22 2HH1 ARG 22 9.166 12.921 8.472
169 1HH2 ARG 22 1HH2 ARG 22 9.121 10.727 11.194
170 2HH2 ARG 22 2HH2 ARG 22 9.659 12.266 10.608
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 12.154 -5.742 2.272
2 2H LYS 1 2HT LYS 1 11.204 -6.070 0.880
3 3H LYS 1 3HT LYS 1 10.686 -6.612 2.424
4 HA LYS 1 HA LYS 1 10.121 -4.547 3.128
5 1HB LYS 1 2HB LYS 1 10.865 -2.500 1.949
6 2HB LYS 1 1HB LYS 1 12.212 -3.459 2.546
7 1HG LYS 1 2HG LYS 1 12.033 -4.466 0.076
8 2HG LYS 1 1HG LYS 1 11.397 -2.848 -0.223
9 1HD LYS 1 2HD LYS 1 13.381 -1.820 0.322
10 2HD LYS 1 1HD LYS 1 13.901 -3.144 1.368
11 1HE LYS 1 2HE LYS 1 15.267 -3.129 -0.611
12 2HE LYS 1 1HE LYS 1 14.221 -4.548 -0.647
13 1HZ LYS 1 1HZ LYS 1 14.242 -2.215 -2.380
14 2HZ LYS 1 2HZ LYS 1 12.715 -2.813 -1.968
15 3HZ LYS 1 3HZ LYS 1 13.839 -3.821 -2.729
16 H VAL 2 H VAL 2 8.523 -2.961 2.226
17 HA VAL 2 HA VAL 2 7.039 -4.226 0.023
18 HB VAL 2 HB VAL 2 5.839 -4.116 2.175
19 1HG1 VAL 2 1HG1 VAL 2 5.964 -1.118 1.848
20 2HG1 VAL 2 2HG1 VAL 2 6.927 -2.046 2.999
21 3HG1 VAL 2 3HG1 VAL 2 5.170 -2.014 3.145
22 1HG2 VAL 2 1HG2 VAL 2 4.309 -2.149 0.618
23 2HG2 VAL 2 2HG2 VAL 2 3.869 -3.775 1.144
24 3HG2 VAL 2 3HG2 VAL 2 4.861 -3.553 -0.297
25 H GLY 3 H GLY 3 6.298 -3.024 -1.706
26 1HA GLY 3 2HA GLY 3 7.795 -0.774 -2.488
27 2HA GLY 3 1HA GLY 3 6.299 -1.315 -3.244
28 H ARG 4 H ARG 4 7.751 0.914 -1.057
29 HA ARG 4 HA ARG 4 5.691 1.885 0.427
30 1HB ARG 4 2HB ARG 4 8.191 2.647 0.176
31 2HB ARG 4 1HB ARG 4 7.496 3.859 -0.892
32 1HG ARG 4 2HG ARG 4 6.219 4.803 0.831
33 2HG ARG 4 1HG ARG 4 6.472 3.413 1.889
34 1HD ARG 4 2HD ARG 4 8.907 3.979 1.914
35 2HD ARG 4 1HD ARG 4 8.518 5.459 1.041
36 HE ARG 4 HE ARG 4 7.895 4.847 3.824
37 1HH1 ARG 4 1HH1 ARG 4 7.598 7.062 1.135
38 2HH1 ARG 4 2HH1 ARG 4 7.159 8.404 2.134
39 1HH2 ARG 4 1HH2 ARG 4 7.316 6.616 5.130
40 2HH2 ARG 4 2HH2 ARG 4 6.998 8.153 4.398
41 H ASN 5 H ASN 5 6.139 2.282 -3.004
42 HA ASN 5 HA ASN 5 4.132 4.357 -3.195
43 1HB ASN 5 2HB ASN 5 6.205 4.123 -4.692
44 2HB ASN 5 1HB ASN 5 5.315 2.846 -5.516
45 1HD2 ASN 5 1HD2 ASN 5 4.212 3.460 -7.218
46 2HD2 ASN 5 2HD2 ASN 5 3.591 5.044 -7.518
47 H ASP 6 H ASP 6 3.908 1.147 -2.668
48 HA ASP 6 HA ASP 6 1.600 0.715 -4.419
49 1HB ASP 6 2HB ASP 6 3.214 -1.069 -4.501
50 2HB ASP 6 1HB ASP 6 3.267 -1.175 -2.745
51 HA PRO 7 HA PRO 7 -1.575 1.464 -1.455
52 1HB PRO 7 2HB PRO 7 -2.733 -1.150 -1.705
53 2HB PRO 7 1HB PRO 7 -3.298 0.364 -2.408
54 1HG PRO 7 2HG PRO 7 -1.689 -1.790 -3.625
55 2HG PRO 7 1HG PRO 7 -2.734 -0.588 -4.401
56 1HD PRO 7 2HD PRO 7 -0.055 -0.461 -4.579
57 2HD PRO 7 1HD PRO 7 -1.053 1.004 -4.478
58 H CYS 8 H CYS 8 -1.114 1.502 0.636
59 HA CYS 8 HA CYS 8 0.544 -0.061 2.098
60 1HB CYS 8 2HB CYS 8 -0.594 2.051 2.846
61 2HB CYS 8 1HB CYS 8 -2.021 1.087 3.205
62 HG CYS 8 HG CYS 8 0.621 0.438 4.689
63 HA PRO 9 HA PRO 9 -1.326 -4.085 2.322
64 1HB PRO 9 2HB PRO 9 0.029 -5.010 4.513
65 2HB PRO 9 1HB PRO 9 0.717 -4.944 2.886
66 1HG PRO 9 2HG PRO 9 1.049 -3.030 5.164
67 2HG PRO 9 1HG PRO 9 2.270 -3.651 4.036
68 1HD PRO 9 2HD PRO 9 1.202 -1.204 3.751
69 2HD PRO 9 1HD PRO 9 1.627 -2.203 2.347
70 H CYS 10 H CYS 10 -1.467 -1.741 4.862
71 HA CYS 10 HA CYS 10 -2.869 -3.122 6.829
72 1HB CYS 10 2HB CYS 10 -3.559 -0.979 7.671
73 2HB CYS 10 1HB CYS 10 -1.919 -0.820 7.053
74 HG CYS 10 HG CYS 10 -4.425 0.338 5.620
75 H GLY 11 H GLY 11 -3.960 -1.812 3.783
76 1HA GLY 11 2HA GLY 11 -5.888 -2.524 2.644
77 2HA GLY 11 1HA GLY 11 -6.510 -3.178 4.151
78 H SER 12 H SER 12 -5.272 0.086 3.814
79 HA SER 12 HA SER 12 -7.867 1.116 4.637
80 1HB SER 12 2HB SER 12 -6.732 3.175 5.123
81 2HB SER 12 1HB SER 12 -5.718 1.864 5.724
82 HG SER 12 HG SER 12 -4.422 2.088 3.891
83 H GLY 13 H GLY 13 -5.450 2.053 2.179
84 1HA GLY 13 2HA GLY 13 -6.821 1.952 -0.112
85 2HA GLY 13 1HA GLY 13 -7.528 3.377 0.635
86 H LYS 14 H LYS 14 -4.937 4.064 1.925
87 HA LYS 14 HA LYS 14 -3.773 5.401 -0.397
88 1HB LYS 14 2HB LYS 14 -3.095 5.868 2.505
89 2HB LYS 14 1HB LYS 14 -2.779 6.932 1.141
90 1HG LYS 14 2HG LYS 14 -4.958 7.654 1.022
91 2HG LYS 14 1HG LYS 14 -5.592 6.209 1.809
92 1HD LYS 14 2HD LYS 14 -3.764 7.862 3.430
93 2HD LYS 14 1HD LYS 14 -5.323 8.592 3.040
94 1HE LYS 14 2HE LYS 14 -5.130 5.804 4.126
95 2HE LYS 14 1HE LYS 14 -5.128 7.204 5.196
96 1HZ LYS 14 1HZ LYS 14 -7.295 6.067 3.636
97 2HZ LYS 14 2HZ LYS 14 -7.228 7.756 3.663
98 3HZ LYS 14 3HZ LYS 14 -7.339 6.893 5.113
99 H LYS 15 H LYS 15 -1.666 5.184 -1.028
100 HA LYS 15 HA LYS 15 -0.375 2.757 -0.660
101 1HB LYS 15 2HB LYS 15 1.688 4.055 -1.515
102 2HB LYS 15 1HB LYS 15 0.285 3.916 -2.563
103 1HG LYS 15 2HG LYS 15 -0.058 6.261 -1.027
104 2HG LYS 15 1HG LYS 15 1.602 6.259 -1.624
105 1HD LYS 15 2HD LYS 15 0.516 7.267 -3.379
106 2HD LYS 15 1HD LYS 15 0.459 5.577 -3.885
107 1HE LYS 15 2HE LYS 15 -1.791 5.365 -3.364
108 2HE LYS 15 1HE LYS 15 -1.766 6.739 -2.259
109 1HZ LYS 15 1HZ LYS 15 -2.011 8.218 -3.942
110 2HZ LYS 15 2HZ LYS 15 -2.792 6.904 -4.667
111 3HZ LYS 15 3HZ LYS 15 -1.190 7.265 -5.074
112 H TYR 16 H TYR 16 1.842 2.429 0.221
113 HA TYR 16 HA TYR 16 1.957 2.575 2.930
114 1HB TYR 16 2HB TYR 16 3.587 1.590 0.986
115 2HB TYR 16 1HB TYR 16 4.584 2.887 1.628
116 HD1 TYR 16 1HD TYR 16 2.214 0.836 3.608
117 HD2 TYR 16 2HD TYR 16 6.286 1.583 2.622
118 HE1 TYR 16 1HE TYR 16 2.922 -0.619 5.458
119 HE2 TYR 16 2HE TYR 16 7.004 0.134 4.474
120 HH TYR 16 HH TYR 16 6.173 -0.761 6.545
121 H LYS 17 H LYS 17 3.790 4.792 0.810
122 HA LYS 17 HA LYS 17 4.734 6.481 2.798
123 1HB LYS 17 2HB LYS 17 4.846 8.207 0.927
124 2HB LYS 17 1HB LYS 17 5.698 6.693 0.661
125 1HG LYS 17 2HG LYS 17 4.599 6.424 -1.235
126 2HG LYS 17 1HG LYS 17 3.084 6.346 -0.333
127 1HD LYS 17 2HD LYS 17 2.989 8.071 -2.058
128 2HD LYS 17 1HD LYS 17 2.891 8.783 -0.447
129 1HE LYS 17 2HE LYS 17 4.605 10.097 -0.963
130 2HE LYS 17 1HE LYS 17 5.625 8.666 -1.104
131 1HZ LYS 17 1HZ LYS 17 5.871 9.423 -3.192
132 2HZ LYS 17 2HZ LYS 17 4.424 10.298 -3.182
133 3HZ LYS 17 3HZ LYS 17 4.400 8.631 -3.461
134 H GLN 18 H GLN 18 1.633 6.493 1.147
135 HA GLN 18 HA GLN 18 0.832 8.988 2.415
136 1HB GLN 18 2HB GLN 18 -0.741 7.114 0.648
137 2HB GLN 18 1HB GLN 18 -1.230 8.731 1.137
138 1HG GLN 18 2HG GLN 18 0.784 9.621 -0.033
139 2HG GLN 18 1HG GLN 18 1.074 7.995 -0.649
140 1HE2 GLN 18 1HE2 GLN 18 0.885 9.513 -2.626
141 2HE2 GLN 18 2HE2 GLN 18 -0.679 9.575 -3.357
142 H CYS 19 H CYS 19 1.186 6.130 3.736
143 HA CYS 19 HA CYS 19 -1.097 6.496 5.490
144 1HB CYS 19 2HB CYS 19 -1.554 4.873 3.461
145 2HB CYS 19 1HB CYS 19 -0.678 3.721 4.472
146 HG CYS 19 HG CYS 19 -2.585 3.621 6.070
147 H HIS 20 H HIS 20 1.215 3.846 4.886
148 HA HIS 20 HA HIS 20 1.972 3.986 7.713
149 1HB HIS 20 2HB HIS 20 2.064 1.827 5.642
150 2HB HIS 20 1HB HIS 20 3.171 1.752 7.009
151 HD1 HIS 20 1HD HIS 20 1.967 -0.367 7.905
152 HD2 HIS 20 2HD HIS 20 -0.443 3.011 7.685
153 HE1 HIS 20 1HE HIS 20 -0.094 -0.924 9.233
154 HE2 HIS 20 2HE HIS 20 -1.495 1.168 9.163
155 H GLY 21 H GLY 21 3.944 2.758 5.048
156 1HA GLY 21 2HA GLY 21 6.123 3.191 4.472
157 2HA GLY 21 1HA GLY 21 5.638 4.874 4.585
158 H ARG 22 H ARG 22 5.915 5.972 6.592
159 HA ARG 22 HA ARG 22 7.169 6.630 8.374
160 1HB ARG 22 2HB ARG 22 6.304 3.929 8.915
161 2HB ARG 22 1HB ARG 22 7.866 4.232 9.663
162 1HG ARG 22 2HG ARG 22 6.530 4.948 11.342
163 2HG ARG 22 1HG ARG 22 6.642 6.456 10.432
164 1HD ARG 22 2HD ARG 22 4.539 5.192 9.216
165 2HD ARG 22 1HD ARG 22 4.348 4.701 10.898
166 HE ARG 22 HE ARG 22 3.772 6.854 11.431
167 1HH1 ARG 22 1HH1 ARG 22 5.187 6.815 8.242
168 2HH1 ARG 22 2HH1 ARG 22 4.772 8.462 7.901
169 1HH2 ARG 22 1HH2 ARG 22 3.222 9.018 10.984
170 2HH2 ARG 22 2HH2 ARG 22 3.656 9.712 9.458
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 9.857 -2.467 4.167
2 2H LYS 1 2HT LYS 1 11.279 -3.257 4.718
3 3H LYS 1 3HT LYS 1 9.951 -4.178 4.139
4 HA LYS 1 HA LYS 1 11.456 -2.252 2.509
5 1HB LYS 1 2HB LYS 1 11.961 -5.082 3.253
6 2HB LYS 1 1HB LYS 1 12.185 -4.665 1.560
7 1HG LYS 1 2HG LYS 1 14.267 -4.159 2.217
8 2HG LYS 1 1HG LYS 1 13.529 -2.645 2.744
9 1HD LYS 1 2HD LYS 1 14.914 -3.572 4.512
10 2HD LYS 1 1HD LYS 1 13.216 -3.593 4.990
11 1HE LYS 1 2HE LYS 1 14.069 -6.026 3.620
12 2HE LYS 1 1HE LYS 1 14.952 -5.720 5.114
13 1HZ LYS 1 1HZ LYS 1 12.455 -5.242 5.901
14 2HZ LYS 1 2HZ LYS 1 13.193 -6.758 6.019
15 3HZ LYS 1 3HZ LYS 1 12.164 -6.418 4.720
16 H VAL 2 H VAL 2 8.828 -2.054 2.387
17 HA VAL 2 HA VAL 2 7.912 -3.830 0.230
18 HB VAL 2 HB VAL 2 6.448 -3.716 2.214
19 1HG1 VAL 2 1HG1 VAL 2 5.135 -1.559 2.508
20 2HG1 VAL 2 2HG1 VAL 2 6.389 -0.784 1.539
21 3HG1 VAL 2 3HG1 VAL 2 6.805 -1.550 3.072
22 1HG2 VAL 2 1HG2 VAL 2 5.051 -2.325 -0.053
23 2HG2 VAL 2 2HG2 VAL 2 4.426 -3.562 1.038
24 3HG2 VAL 2 3HG2 VAL 2 5.613 -3.992 -0.193
25 H GLY 3 H GLY 3 6.686 -2.868 -1.532
26 1HA GLY 3 2HA GLY 3 7.997 -0.559 -2.592
27 2HA GLY 3 1HA GLY 3 6.645 -1.416 -3.325
28 H ARG 4 H ARG 4 7.504 0.933 -0.843
29 HA ARG 4 HA ARG 4 5.218 1.778 0.207
30 1HB ARG 4 2HB ARG 4 6.211 4.228 -0.280
31 2HB ARG 4 1HB ARG 4 6.815 3.154 0.970
32 1HG ARG 4 2HG ARG 4 8.355 2.343 -1.055
33 2HG ARG 4 1HG ARG 4 8.057 4.004 -1.569
34 1HD ARG 4 2HD ARG 4 8.746 3.611 1.269
35 2HD ARG 4 1HD ARG 4 10.034 3.288 0.107
36 HE ARG 4 HE ARG 4 8.678 5.791 -0.317
37 1HH1 ARG 4 1HH1 ARG 4 11.270 4.187 1.384
38 2HH1 ARG 4 2HH1 ARG 4 12.183 5.640 1.618
39 1HH2 ARG 4 1HH2 ARG 4 9.878 7.703 -0.009
40 2HH2 ARG 4 2HH2 ARG 4 11.392 7.636 0.828
41 H ASN 5 H ASN 5 6.033 2.248 -3.162
42 HA ASN 5 HA ASN 5 4.012 4.164 -3.723
43 1HB ASN 5 2HB ASN 5 6.140 3.433 -5.094
44 2HB ASN 5 1HB ASN 5 5.015 2.293 -5.827
45 1HD2 ASN 5 1HD2 ASN 5 5.663 5.690 -5.246
46 2HD2 ASN 5 2HD2 ASN 5 4.726 6.289 -6.568
47 H ASP 6 H ASP 6 3.627 1.060 -2.728
48 HA ASP 6 HA ASP 6 1.264 0.569 -4.395
49 1HB ASP 6 2HB ASP 6 2.808 -1.283 -4.422
50 2HB ASP 6 1HB ASP 6 2.926 -1.278 -2.668
51 HA PRO 7 HA PRO 7 -1.653 1.656 -1.270
52 1HB PRO 7 2HB PRO 7 -3.143 -0.758 -1.399
53 2HB PRO 7 1HB PRO 7 -3.490 0.758 -2.232
54 1HG PRO 7 2HG PRO 7 -2.121 -1.682 -3.231
55 2HG PRO 7 1HG PRO 7 -3.114 -0.504 -4.110
56 1HD PRO 7 2HD PRO 7 -0.454 -0.555 -4.389
57 2HD PRO 7 1HD PRO 7 -1.344 0.983 -4.362
58 H CYS 8 H CYS 8 -1.198 1.625 0.825
59 HA CYS 8 HA CYS 8 0.420 0.005 2.239
60 1HB CYS 8 2HB CYS 8 -0.692 2.093 3.071
61 2HB CYS 8 1HB CYS 8 -2.137 1.138 3.387
62 HG CYS 8 HG CYS 8 0.497 0.423 4.863
63 HA PRO 9 HA PRO 9 -1.400 -4.042 2.340
64 1HB PRO 9 2HB PRO 9 -0.141 -4.945 4.617
65 2HB PRO 9 1HB PRO 9 0.590 -4.927 3.009
66 1HG PRO 9 2HG PRO 9 0.893 -2.972 5.252
67 2HG PRO 9 1HG PRO 9 2.126 -3.614 4.150
68 1HD PRO 9 2HD PRO 9 1.091 -1.166 3.814
69 2HD PRO 9 1HD PRO 9 1.502 -2.194 2.425
70 H CYS 10 H CYS 10 -1.702 -1.720 4.881
71 HA CYS 10 HA CYS 10 -3.195 -3.129 6.762
72 1HB CYS 10 2HB CYS 10 -3.990 -0.979 7.542
73 2HB CYS 10 1HB CYS 10 -2.292 -0.843 7.098
74 HG CYS 10 HG CYS 10 -3.286 0.245 4.786
75 H GLY 11 H GLY 11 -4.111 -1.842 3.656
76 1HA GLY 11 2HA GLY 11 -5.968 -2.514 2.403
77 2HA GLY 11 1HA GLY 11 -6.659 -3.229 3.852
78 H SER 12 H SER 12 -5.466 0.062 3.697
79 HA SER 12 HA SER 12 -8.120 1.024 4.403
80 1HB SER 12 2HB SER 12 -6.027 1.756 5.625
81 2HB SER 12 1HB SER 12 -5.577 2.642 4.169
82 HG SER 12 HG SER 12 -7.732 3.656 4.408
83 H GLY 13 H GLY 13 -5.613 1.743 1.976
84 1HA GLY 13 2HA GLY 13 -6.865 1.813 -0.325
85 2HA GLY 13 1HA GLY 13 -7.591 3.233 0.411
86 H LYS 14 H LYS 14 -5.053 3.865 1.831
87 HA LYS 14 HA LYS 14 -3.809 5.298 -0.375
88 1HB LYS 14 2HB LYS 14 -3.101 5.505 2.549
89 2HB LYS 14 1HB LYS 14 -2.784 6.674 1.275
90 1HG LYS 14 2HG LYS 14 -5.113 7.212 1.104
91 2HG LYS 14 1HG LYS 14 -5.535 5.921 2.229
92 1HD LYS 14 2HD LYS 14 -5.199 7.260 3.974
93 2HD LYS 14 1HD LYS 14 -3.573 7.653 3.413
94 1HE LYS 14 2HE LYS 14 -5.916 8.946 2.097
95 2HE LYS 14 1HE LYS 14 -5.399 9.522 3.681
96 1HZ LYS 14 1HZ LYS 14 -3.313 9.183 1.680
97 2HZ LYS 14 2HZ LYS 14 -3.506 10.390 2.849
98 3HZ LYS 14 3HZ LYS 14 -4.404 10.451 1.417
99 H LYS 15 H LYS 15 -1.452 5.421 -0.539
100 HA LYS 15 HA LYS 15 -0.290 2.800 -0.497
101 1HB LYS 15 2HB LYS 15 0.724 5.511 -1.328
102 2HB LYS 15 1HB LYS 15 1.760 4.092 -1.334
103 1HG LYS 15 2HG LYS 15 1.032 3.646 -3.374
104 2HG LYS 15 1HG LYS 15 -0.561 3.322 -2.687
105 1HD LYS 15 2HD LYS 15 0.240 6.139 -3.265
106 2HD LYS 15 1HD LYS 15 -0.267 5.095 -4.595
107 1HE LYS 15 2HE LYS 15 -2.409 5.297 -4.029
108 2HE LYS 15 1HE LYS 15 -2.070 4.863 -2.354
109 1HZ LYS 15 1HZ LYS 15 -1.920 7.024 -1.727
110 2HZ LYS 15 2HZ LYS 15 -2.995 7.222 -3.017
111 3HZ LYS 15 3HZ LYS 15 -1.351 7.558 -3.228
112 H TYR 16 H TYR 16 1.901 2.401 0.411
113 HA TYR 16 HA TYR 16 1.983 2.558 3.138
114 1HB TYR 16 2HB TYR 16 3.563 1.436 1.237
115 2HB TYR 16 1HB TYR 16 4.629 2.702 1.833
116 HD1 TYR 16 1HD TYR 16 6.264 1.427 2.931
117 HD2 TYR 16 2HD TYR 16 2.153 0.773 3.820
118 HE1 TYR 16 1HE TYR 16 6.905 0.000 4.831
119 HE2 TYR 16 2HE TYR 16 2.784 -0.653 5.722
120 HH TYR 16 HH TYR 16 5.919 -0.772 6.972
121 H LYS 17 H LYS 17 4.081 4.559 1.048
122 HA LYS 17 HA LYS 17 4.952 6.297 3.037
123 1HB LYS 17 2HB LYS 17 5.686 7.752 1.271
124 2HB LYS 17 1HB LYS 17 5.920 6.092 0.742
125 1HG LYS 17 2HG LYS 17 3.332 6.923 -0.084
126 2HG LYS 17 1HG LYS 17 4.490 8.174 -0.539
127 1HD LYS 17 2HD LYS 17 4.757 5.236 -1.177
128 2HD LYS 17 1HD LYS 17 4.198 6.476 -2.301
129 1HE LYS 17 2HE LYS 17 6.864 6.650 -0.927
130 2HE LYS 17 1HE LYS 17 6.651 5.777 -2.443
131 1HZ LYS 17 1HZ LYS 17 5.640 8.517 -2.294
132 2HZ LYS 17 2HZ LYS 17 6.310 7.684 -3.604
133 3HZ LYS 17 3HZ LYS 17 7.315 8.304 -2.393
134 H GLN 18 H GLN 18 1.934 6.159 1.373
135 HA GLN 18 HA GLN 18 1.151 8.851 2.141
136 1HB GLN 18 2HB GLN 18 0.103 6.735 0.369
137 2HB GLN 18 1HB GLN 18 -1.113 7.721 1.168
138 1HG GLN 18 2HG GLN 18 -0.538 8.593 -1.037
139 2HG GLN 18 1HG GLN 18 -0.127 9.734 0.242
140 1HE2 GLN 18 1HE2 GLN 18 1.174 7.362 -1.990
141 2HE2 GLN 18 2HE2 GLN 18 2.782 7.994 -2.021
142 H CYS 19 H CYS 19 1.381 6.036 3.790
143 HA CYS 19 HA CYS 19 -0.660 6.870 5.678
144 1HB CYS 19 2HB CYS 19 -1.515 5.134 3.881
145 2HB CYS 19 1HB CYS 19 -0.688 3.977 4.925
146 HG CYS 19 HG CYS 19 -3.391 5.006 5.432
147 H HIS 20 H HIS 20 1.242 3.893 5.155
148 HA HIS 20 HA HIS 20 2.195 4.080 7.903
149 1HB HIS 20 2HB HIS 20 2.040 1.922 5.860
150 2HB HIS 20 1HB HIS 20 3.336 1.818 7.045
151 HD1 HIS 20 1HD HIS 20 1.051 -0.258 6.983
152 HD2 HIS 20 2HD HIS 20 1.090 3.129 9.386
153 HE1 HIS 20 1HE HIS 20 -0.492 -0.777 8.900
154 HE2 HIS 20 2HE HIS 20 -0.378 1.251 10.391
155 H GLY 21 H GLY 21 4.004 2.820 5.137
156 1HA GLY 21 2HA GLY 21 6.172 3.176 4.476
157 2HA GLY 21 1HA GLY 21 5.742 4.873 4.607
158 H ARG 22 H ARG 22 6.145 5.965 6.594
159 HA ARG 22 HA ARG 22 8.528 4.940 7.924
160 1HB ARG 22 2HB ARG 22 7.747 7.471 7.084
161 2HB ARG 22 1HB ARG 22 7.581 7.540 8.833
162 1HG ARG 22 2HG ARG 22 10.078 6.402 7.689
163 2HG ARG 22 1HG ARG 22 9.841 8.150 7.647
164 1HD ARG 22 2HD ARG 22 9.339 8.022 10.115
165 2HD ARG 22 1HD ARG 22 9.893 6.349 10.059
166 HE ARG 22 HE ARG 22 11.781 8.229 8.981
167 1HH1 ARG 22 1HH1 ARG 22 10.634 6.672 11.887
168 2HH1 ARG 22 2HH1 ARG 22 12.125 6.889 12.740
169 1HH2 ARG 22 1HH2 ARG 22 13.742 8.515 10.103
170 2HH2 ARG 22 2HH2 ARG 22 13.889 7.935 11.728
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 8.872 -4.197 4.476
2 2H LYS 1 2HT LYS 1 9.496 -2.671 3.995
3 3H LYS 1 3HT LYS 1 10.501 -3.790 4.824
4 HA LYS 1 HA LYS 1 10.890 -3.620 2.419
5 1HB LYS 1 2HB LYS 1 10.968 -5.729 4.167
6 2HB LYS 1 1HB LYS 1 10.012 -6.396 2.851
7 1HG LYS 1 2HG LYS 1 12.063 -5.211 1.503
8 2HG LYS 1 1HG LYS 1 12.861 -5.765 2.976
9 1HD LYS 1 2HD LYS 1 11.361 -7.938 2.345
10 2HD LYS 1 1HD LYS 1 11.731 -7.304 0.740
11 1HE LYS 1 2HE LYS 1 13.977 -7.427 2.654
12 2HE LYS 1 1HE LYS 1 13.350 -8.974 2.087
13 1HZ LYS 1 1HZ LYS 1 13.653 -8.173 -0.202
14 2HZ LYS 1 2HZ LYS 1 15.111 -8.237 0.653
15 3HZ LYS 1 3HZ LYS 1 14.349 -6.750 0.392
16 H VAL 2 H VAL 2 8.429 -2.481 2.279
17 HA VAL 2 HA VAL 2 7.021 -4.183 0.326
18 HB VAL 2 HB VAL 2 5.686 -3.932 2.387
19 1HG1 VAL 2 1HG1 VAL 2 5.887 -0.988 1.759
20 2HG1 VAL 2 2HG1 VAL 2 6.455 -1.820 3.207
21 3HG1 VAL 2 3HG1 VAL 2 4.726 -1.681 2.892
22 1HG2 VAL 2 1HG2 VAL 2 3.623 -3.229 1.329
23 2HG2 VAL 2 2HG2 VAL 2 4.592 -4.162 0.190
24 3HG2 VAL 2 3HG2 VAL 2 4.527 -2.406 0.057
25 H GLY 3 H GLY 3 5.986 -3.072 -1.424
26 1HA GLY 3 2HA GLY 3 7.513 -0.970 -2.521
27 2HA GLY 3 1HA GLY 3 5.955 -1.523 -3.123
28 H ARG 4 H ARG 4 7.613 0.798 -1.171
29 HA ARG 4 HA ARG 4 5.659 1.976 0.306
30 1HB ARG 4 2HB ARG 4 8.182 2.580 -0.093
31 2HB ARG 4 1HB ARG 4 7.492 3.773 -1.189
32 1HG ARG 4 2HG ARG 4 6.391 4.891 0.515
33 2HG ARG 4 1HG ARG 4 6.496 3.513 1.616
34 1HD ARG 4 2HD ARG 4 9.104 4.451 0.752
35 2HD ARG 4 1HD ARG 4 8.177 5.708 1.569
36 HE ARG 4 HE ARG 4 8.118 3.242 2.997
37 1HH1 ARG 4 1HH1 ARG 4 10.083 6.058 2.362
38 2HH1 ARG 4 2HH1 ARG 4 10.953 5.941 3.855
39 1HH2 ARG 4 1HH2 ARG 4 9.262 3.086 4.959
40 2HH2 ARG 4 2HH2 ARG 4 10.487 4.255 5.329
41 H ASN 5 H ASN 5 5.996 2.113 -3.159
42 HA ASN 5 HA ASN 5 4.071 4.270 -3.394
43 1HB ASN 5 2HB ASN 5 6.093 3.957 -4.917
44 2HB ASN 5 1HB ASN 5 5.203 2.630 -5.658
45 1HD2 ASN 5 1HD2 ASN 5 4.944 6.059 -4.846
46 2HD2 ASN 5 2HD2 ASN 5 3.976 6.490 -6.209
47 H ASP 6 H ASP 6 3.772 1.087 -2.752
48 HA ASP 6 HA ASP 6 1.409 0.663 -4.431
49 1HB ASP 6 2HB ASP 6 2.972 -1.167 -4.497
50 2HB ASP 6 1HB ASP 6 3.070 -1.218 -2.740
51 HA PRO 7 HA PRO 7 -1.642 1.581 -1.382
52 1HB PRO 7 2HB PRO 7 -2.940 -0.958 -1.527
53 2HB PRO 7 1HB PRO 7 -3.421 0.548 -2.309
54 1HG PRO 7 2HG PRO 7 -1.902 -1.748 -3.403
55 2HG PRO 7 1HG PRO 7 -2.947 -0.585 -4.239
56 1HD PRO 7 2HD PRO 7 -0.284 -0.495 -4.500
57 2HD PRO 7 1HD PRO 7 -1.250 0.993 -4.425
58 H CYS 8 H CYS 8 -1.122 1.632 0.696
59 HA CYS 8 HA CYS 8 0.540 0.107 2.151
60 1HB CYS 8 2HB CYS 8 -0.706 2.177 2.898
61 2HB CYS 8 1HB CYS 8 -2.053 1.123 3.313
62 HG CYS 8 HG CYS 8 -0.721 0.164 5.247
63 HA PRO 9 HA PRO 9 -1.115 -4.008 2.359
64 1HB PRO 9 2HB PRO 9 0.158 -4.782 4.681
65 2HB PRO 9 1HB PRO 9 0.895 -4.802 3.075
66 1HG PRO 9 2HG PRO 9 1.130 -2.758 5.245
67 2HG PRO 9 1HG PRO 9 2.381 -3.393 4.160
68 1HD PRO 9 2HD PRO 9 1.259 -0.995 3.747
69 2HD PRO 9 1HD PRO 9 1.707 -2.052 2.392
70 H CYS 10 H CYS 10 -1.427 -1.671 4.914
71 HA CYS 10 HA CYS 10 -2.935 -3.073 6.777
72 1HB CYS 10 2HB CYS 10 -3.738 -0.927 7.556
73 2HB CYS 10 1HB CYS 10 -2.045 -0.777 7.103
74 HG CYS 10 HG CYS 10 -4.338 0.764 5.891
75 H GLY 11 H GLY 11 -3.837 -1.838 3.652
76 1HA GLY 11 2HA GLY 11 -5.690 -2.509 2.398
77 2HA GLY 11 1HA GLY 11 -6.380 -3.231 3.844
78 H SER 12 H SER 12 -5.217 0.070 3.704
79 HA SER 12 HA SER 12 -7.886 1.004 4.390
80 1HB SER 12 2HB SER 12 -5.206 2.406 4.331
81 2HB SER 12 1HB SER 12 -6.719 3.191 4.783
82 HG SER 12 HG SER 12 -6.273 2.467 6.701
83 H GLY 13 H GLY 13 -5.433 1.481 1.883
84 1HA GLY 13 2HA GLY 13 -6.544 1.640 -0.399
85 2HA GLY 13 1HA GLY 13 -7.431 2.980 0.311
86 H LYS 14 H LYS 14 -4.994 3.794 1.849
87 HA LYS 14 HA LYS 14 -3.800 5.374 -0.290
88 1HB LYS 14 2HB LYS 14 -3.078 5.649 2.609
89 2HB LYS 14 1HB LYS 14 -3.097 6.875 1.350
90 1HG LYS 14 2HG LYS 14 -5.704 6.273 1.405
91 2HG LYS 14 1HG LYS 14 -5.279 5.895 3.075
92 1HD LYS 14 2HD LYS 14 -5.560 8.081 3.466
93 2HD LYS 14 1HD LYS 14 -4.007 8.294 2.653
94 1HE LYS 14 2HE LYS 14 -5.530 8.278 0.497
95 2HE LYS 14 1HE LYS 14 -6.768 8.778 1.649
96 1HZ LYS 14 1HZ LYS 14 -4.754 10.409 2.301
97 2HZ LYS 14 2HZ LYS 14 -5.974 10.812 1.201
98 3HZ LYS 14 3HZ LYS 14 -4.484 10.242 0.638
99 H LYS 15 H LYS 15 -1.783 5.104 -1.045
100 HA LYS 15 HA LYS 15 -0.348 2.782 -0.676
101 1HB LYS 15 2HB LYS 15 1.515 3.867 -1.788
102 2HB LYS 15 1HB LYS 15 0.004 4.305 -2.567
103 1HG LYS 15 2HG LYS 15 1.169 6.092 -0.477
104 2HG LYS 15 1HG LYS 15 1.821 6.108 -2.114
105 1HD LYS 15 2HD LYS 15 -0.986 6.758 -1.233
106 2HD LYS 15 1HD LYS 15 0.186 7.829 -1.996
107 1HE LYS 15 2HE LYS 15 -1.344 5.552 -3.219
108 2HE LYS 15 1HE LYS 15 -1.343 7.251 -3.690
109 1HZ LYS 15 1HZ LYS 15 1.152 6.811 -4.135
110 2HZ LYS 15 2HZ LYS 15 0.006 6.306 -5.271
111 3HZ LYS 15 3HZ LYS 15 0.686 5.185 -4.203
112 H TYR 16 H TYR 16 1.840 2.504 0.199
113 HA TYR 16 HA TYR 16 1.983 2.667 2.899
114 1HB TYR 16 2HB TYR 16 3.597 1.678 0.961
115 2HB TYR 16 1HB TYR 16 4.585 3.013 1.542
116 HD1 TYR 16 1HD TYR 16 6.337 1.755 2.515
117 HD2 TYR 16 2HD TYR 16 2.308 0.986 3.653
118 HE1 TYR 16 1HE TYR 16 7.134 0.374 4.386
119 HE2 TYR 16 2HE TYR 16 3.095 -0.399 5.525
120 HH TYR 16 HH TYR 16 5.067 -0.701 6.892
121 H LYS 17 H LYS 17 3.948 4.831 0.847
122 HA LYS 17 HA LYS 17 4.794 6.553 2.824
123 1HB LYS 17 2HB LYS 17 4.932 8.269 0.923
124 2HB LYS 17 1HB LYS 17 5.842 6.776 0.746
125 1HG LYS 17 2HG LYS 17 4.533 6.013 -0.952
126 2HG LYS 17 1HG LYS 17 3.097 6.861 -0.373
127 1HD LYS 17 2HD LYS 17 3.736 8.871 -1.337
128 2HD LYS 17 1HD LYS 17 5.440 8.413 -1.401
129 1HE LYS 17 2HE LYS 17 4.326 6.517 -2.992
130 2HE LYS 17 1HE LYS 17 3.260 7.886 -3.302
131 1HZ LYS 17 1HZ LYS 17 4.839 8.390 -4.802
132 2HZ LYS 17 2HZ LYS 17 6.050 7.514 -4.012
133 3HZ LYS 17 3HZ LYS 17 5.639 9.063 -3.472
134 H GLN 18 H GLN 18 1.643 6.328 1.427
135 HA GLN 18 HA GLN 18 0.859 8.964 2.397
136 1HB GLN 18 2HB GLN 18 -0.261 6.964 0.538
137 2HB GLN 18 1HB GLN 18 -1.437 7.871 1.475
138 1HG GLN 18 2HG GLN 18 0.723 9.112 -0.214
139 2HG GLN 18 1HG GLN 18 -0.943 8.866 -0.732
140 1HE2 GLN 18 1HE2 GLN 18 -2.316 10.461 -0.396
141 2HE2 GLN 18 2HE2 GLN 18 -2.087 11.784 0.690
142 H CYS 19 H CYS 19 1.235 6.056 3.848
143 HA CYS 19 HA CYS 19 -0.751 6.724 5.857
144 1HB CYS 19 2HB CYS 19 -1.658 5.096 4.017
145 2HB CYS 19 1HB CYS 19 -0.729 3.887 4.903
146 HG CYS 19 HG CYS 19 -3.152 5.431 6.095
147 H HIS 20 H HIS 20 1.171 3.794 5.157
148 HA HIS 20 HA HIS 20 2.152 3.840 7.894
149 1HB HIS 20 2HB HIS 20 2.079 1.834 5.701
150 2HB HIS 20 1HB HIS 20 3.376 1.691 6.881
151 HD1 HIS 20 1HD HIS 20 1.240 -0.491 6.706
152 HD2 HIS 20 2HD HIS 20 1.013 2.777 9.256
153 HE1 HIS 20 1HE HIS 20 -0.302 -1.196 8.562
154 HE2 HIS 20 2HE HIS 20 -0.493 0.828 10.049
155 H GLY 21 H GLY 21 3.618 3.618 4.650
156 1HA GLY 21 2HA GLY 21 6.269 3.776 5.236
157 2HA GLY 21 1HA GLY 21 5.560 4.552 3.830
158 H ARG 22 H ARG 22 3.974 6.441 5.368
159 HA ARG 22 HA ARG 22 5.878 7.984 6.912
160 1HB ARG 22 2HB ARG 22 5.062 8.710 4.140
161 2HB ARG 22 1HB ARG 22 5.193 10.007 5.320
162 1HG ARG 22 2HG ARG 22 7.493 8.279 5.444
163 2HG ARG 22 1HG ARG 22 7.242 8.881 3.805
164 1HD ARG 22 2HD ARG 22 7.571 11.066 4.410
165 2HD ARG 22 1HD ARG 22 7.033 10.801 6.068
166 HE ARG 22 HE ARG 22 9.205 10.422 6.638
167 1HH1 ARG 22 1HH1 ARG 22 8.870 9.868 3.209
168 2HH1 ARG 22 2HH1 ARG 22 10.561 9.591 2.962
169 1HH2 ARG 22 1HH2 ARG 22 11.432 10.061 6.313
170 2HH2 ARG 22 2HH2 ARG 22 12.016 9.700 4.723
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 10.484 -6.247 2.415
2 2H LYS 1 2HT LYS 1 12.059 -5.566 2.408
3 3H LYS 1 3HT LYS 1 11.256 -5.891 0.927
4 HA LYS 1 HA LYS 1 10.243 -4.021 2.952
5 1HB LYS 1 2HB LYS 1 12.410 -3.780 0.992
6 2HB LYS 1 1HB LYS 1 11.184 -2.530 0.831
7 1HG LYS 1 2HG LYS 1 12.860 -1.685 2.271
8 2HG LYS 1 1HG LYS 1 11.463 -2.071 3.279
9 1HD LYS 1 2HD LYS 1 12.541 -3.742 4.362
10 2HD LYS 1 1HD LYS 1 13.446 -4.229 2.928
11 1HE LYS 1 2HE LYS 1 14.810 -2.128 3.224
12 2HE LYS 1 1HE LYS 1 14.027 -1.939 4.792
13 1HZ LYS 1 1HZ LYS 1 15.865 -4.076 3.905
14 2HZ LYS 1 2HZ LYS 1 14.850 -4.287 5.241
15 3HZ LYS 1 3HZ LYS 1 16.005 -3.052 5.245
16 H VAL 2 H VAL 2 8.375 -3.015 2.350
17 HA VAL 2 HA VAL 2 6.961 -4.161 0.083
18 HB VAL 2 HB VAL 2 5.806 -3.946 2.258
19 1HG1 VAL 2 1HG1 VAL 2 6.895 -1.846 2.975
20 2HG1 VAL 2 2HG1 VAL 2 5.139 -1.781 3.111
21 3HG1 VAL 2 3HG1 VAL 2 5.950 -0.969 1.771
22 1HG2 VAL 2 1HG2 VAL 2 3.813 -3.645 1.255
23 2HG2 VAL 2 2HG2 VAL 2 4.780 -3.526 -0.215
24 3HG2 VAL 2 3HG2 VAL 2 4.257 -2.061 0.616
25 H GLY 3 H GLY 3 6.304 -3.064 -1.723
26 1HA GLY 3 2HA GLY 3 7.766 -0.832 -2.586
27 2HA GLY 3 1HA GLY 3 6.280 -1.415 -3.326
28 H ARG 4 H ARG 4 7.709 0.950 -1.292
29 HA ARG 4 HA ARG 4 5.655 1.964 0.173
30 1HB ARG 4 2HB ARG 4 8.135 2.753 -0.159
31 2HB ARG 4 1HB ARG 4 7.400 3.897 -1.276
32 1HG ARG 4 2HG ARG 4 6.076 4.854 0.433
33 2HG ARG 4 1HG ARG 4 6.486 3.561 1.565
34 1HD ARG 4 2HD ARG 4 8.948 4.440 0.990
35 2HD ARG 4 1HD ARG 4 8.049 5.935 0.734
36 HE ARG 4 HE ARG 4 7.146 5.095 3.133
37 1HH1 ARG 4 1HH1 ARG 4 10.356 5.557 1.844
38 2HH1 ARG 4 2HH1 ARG 4 11.052 5.947 3.381
39 1HH2 ARG 4 1HH2 ARG 4 8.061 5.608 5.156
40 2HH2 ARG 4 2HH2 ARG 4 9.750 5.975 5.261
41 H ASN 5 H ASN 5 6.029 2.169 -3.282
42 HA ASN 5 HA ASN 5 3.995 4.209 -3.552
43 1HB ASN 5 2HB ASN 5 6.090 3.713 -5.087
44 2HB ASN 5 1HB ASN 5 4.970 2.612 -5.883
45 1HD2 ASN 5 1HD2 ASN 5 6.035 5.792 -5.605
46 2HD2 ASN 5 2HD2 ASN 5 4.815 6.551 -6.566
47 H ASP 6 H ASP 6 3.839 1.035 -2.825
48 HA ASP 6 HA ASP 6 1.463 0.483 -4.452
49 1HB ASP 6 2HB ASP 6 3.101 -1.279 -4.542
50 2HB ASP 6 1HB ASP 6 3.247 -1.308 -2.789
51 HA PRO 7 HA PRO 7 -1.548 1.322 -1.345
52 1HB PRO 7 2HB PRO 7 -2.721 -1.288 -1.426
53 2HB PRO 7 1HB PRO 7 -3.309 0.191 -2.187
54 1HG PRO 7 2HG PRO 7 -1.735 -2.031 -3.345
55 2HG PRO 7 1HG PRO 7 -2.839 -0.895 -4.141
56 1HD PRO 7 2HD PRO 7 -0.181 -0.729 -4.466
57 2HD PRO 7 1HD PRO 7 -1.195 0.726 -4.380
58 H CYS 8 H CYS 8 -0.992 1.433 0.723
59 HA CYS 8 HA CYS 8 0.760 -0.044 2.155
60 1HB CYS 8 2HB CYS 8 -0.411 2.056 2.893
61 2HB CYS 8 1HB CYS 8 -1.791 1.060 3.340
62 HG CYS 8 HG CYS 8 -0.540 0.172 5.325
63 HA PRO 9 HA PRO 9 -0.812 -4.168 2.582
64 1HB PRO 9 2HB PRO 9 0.278 -4.667 5.100
65 2HB PRO 9 1HB PRO 9 1.093 -4.924 3.556
66 1HG PRO 9 2HG PRO 9 1.292 -2.623 5.447
67 2HG PRO 9 1HG PRO 9 2.561 -3.394 4.476
68 1HD PRO 9 2HD PRO 9 1.501 -1.050 3.753
69 2HD PRO 9 1HD PRO 9 1.928 -2.272 2.539
70 H CYS 10 H CYS 10 -1.353 -1.669 4.948
71 HA CYS 10 HA CYS 10 -3.057 -3.013 6.712
72 1HB CYS 10 2HB CYS 10 -3.857 -0.816 7.374
73 2HB CYS 10 1HB CYS 10 -2.114 -0.765 7.132
74 HG CYS 10 HG CYS 10 -3.076 0.216 4.620
75 H GLY 11 H GLY 11 -3.664 -1.544 3.579
76 1HA GLY 11 2HA GLY 11 -5.405 -1.986 2.113
77 2HA GLY 11 1HA GLY 11 -6.132 -3.017 3.338
78 H SER 12 H SER 12 -5.219 0.378 3.686
79 HA SER 12 HA SER 12 -7.942 0.986 4.514
80 1HB SER 12 2HB SER 12 -5.788 1.761 5.722
81 2HB SER 12 1HB SER 12 -5.675 2.965 4.439
82 HG SER 12 HG SER 12 -7.878 3.554 5.050
83 H GLY 13 H GLY 13 -5.657 1.805 1.966
84 1HA GLY 13 2HA GLY 13 -7.118 2.165 -0.169
85 2HA GLY 13 1HA GLY 13 -7.635 3.585 0.729
86 H LYS 14 H LYS 14 -5.096 4.173 1.909
87 HA LYS 14 HA LYS 14 -3.856 5.462 -0.380
88 1HB LYS 14 2HB LYS 14 -2.814 5.740 2.412
89 2HB LYS 14 1HB LYS 14 -2.867 6.930 1.120
90 1HG LYS 14 2HG LYS 14 -4.550 7.796 2.317
91 2HG LYS 14 1HG LYS 14 -5.508 6.537 1.537
92 1HD LYS 14 2HD LYS 14 -4.600 5.120 3.598
93 2HD LYS 14 1HD LYS 14 -4.518 6.724 4.330
94 1HE LYS 14 2HE LYS 14 -7.010 6.215 2.893
95 2HE LYS 14 1HE LYS 14 -6.738 5.116 4.244
96 1HZ LYS 14 1HZ LYS 14 -7.953 7.242 4.761
97 2HZ LYS 14 2HZ LYS 14 -6.488 8.053 4.516
98 3HZ LYS 14 3HZ LYS 14 -6.619 6.899 5.745
99 H LYS 15 H LYS 15 -1.493 5.458 -0.637
100 HA LYS 15 HA LYS 15 -0.479 2.790 -0.624
101 1HB LYS 15 2HB LYS 15 1.114 5.299 -1.141
102 2HB LYS 15 1HB LYS 15 1.459 3.672 -1.712
103 1HG LYS 15 2HG LYS 15 -0.953 5.269 -2.533
104 2HG LYS 15 1HG LYS 15 0.558 5.207 -3.441
105 1HD LYS 15 2HD LYS 15 -0.478 3.511 -4.515
106 2HD LYS 15 1HD LYS 15 0.090 2.575 -3.130
107 1HE LYS 15 2HE LYS 15 -2.122 1.983 -3.149
108 2HE LYS 15 1HE LYS 15 -2.172 3.375 -2.067
109 1HZ LYS 15 1HZ LYS 15 -2.935 3.278 -4.928
110 2HZ LYS 15 2HZ LYS 15 -2.720 4.730 -4.088
111 3HZ LYS 15 3HZ LYS 15 -3.922 3.643 -3.602
112 H TYR 16 H TYR 16 2.001 2.651 0.090
113 HA TYR 16 HA TYR 16 2.023 2.473 2.859
114 1HB TYR 16 2HB TYR 16 3.627 1.527 0.950
115 2HB TYR 16 1HB TYR 16 4.608 2.901 1.444
116 HD1 TYR 16 1HD TYR 16 2.470 0.837 3.660
117 HD2 TYR 16 2HD TYR 16 6.433 1.777 2.423
118 HE1 TYR 16 1HE TYR 16 3.361 -0.464 5.548
119 HE2 TYR 16 2HE TYR 16 7.334 0.477 4.306
120 HH TYR 16 HH TYR 16 5.361 -0.658 6.873
121 H LYS 17 H LYS 17 3.948 4.785 0.937
122 HA LYS 17 HA LYS 17 4.682 6.405 3.096
123 1HB LYS 17 2HB LYS 17 5.052 8.163 1.268
124 2HB LYS 17 1HB LYS 17 5.964 6.665 1.156
125 1HG LYS 17 2HG LYS 17 4.992 6.071 -0.770
126 2HG LYS 17 1HG LYS 17 3.396 6.615 -0.248
127 1HD LYS 17 2HD LYS 17 3.751 8.779 -0.981
128 2HD LYS 17 1HD LYS 17 5.507 8.627 -0.899
129 1HE LYS 17 2HE LYS 17 5.195 8.537 -3.165
130 2HE LYS 17 1HE LYS 17 5.108 6.822 -2.768
131 1HZ LYS 17 1HZ LYS 17 2.750 6.888 -2.863
132 2HZ LYS 17 2HZ LYS 17 3.319 7.634 -4.269
133 3HZ LYS 17 3HZ LYS 17 2.726 8.574 -2.996
134 H GLN 18 H GLN 18 1.675 6.128 1.500
135 HA GLN 18 HA GLN 18 0.787 8.801 2.204
136 1HB GLN 18 2HB GLN 18 -0.911 6.570 1.106
137 2HB GLN 18 1HB GLN 18 -1.205 8.301 1.015
138 1HG GLN 18 2HG GLN 18 1.203 7.097 -0.285
139 2HG GLN 18 1HG GLN 18 -0.371 7.054 -1.078
140 1HE2 GLN 18 1HE2 GLN 18 -0.247 8.500 -2.653
141 2HE2 GLN 18 2HE2 GLN 18 0.243 10.147 -2.471
142 H CYS 19 H CYS 19 0.749 5.636 3.565
143 HA CYS 19 HA CYS 19 -1.173 6.571 5.589
144 1HB CYS 19 2HB CYS 19 -1.876 4.671 3.974
145 2HB CYS 19 1HB CYS 19 -0.812 3.661 4.945
146 HG CYS 19 HG CYS 19 -3.022 3.379 6.104
147 H HIS 20 H HIS 20 0.891 3.668 5.506
148 HA HIS 20 HA HIS 20 1.790 4.278 8.188
149 1HB HIS 20 2HB HIS 20 2.160 1.912 6.361
150 2HB HIS 20 1HB HIS 20 2.972 2.037 7.918
151 HD1 HIS 20 1HD HIS 20 -0.640 2.532 6.784
152 HD2 HIS 20 2HD HIS 20 1.580 0.657 9.745
153 HE1 HIS 20 1HE HIS 20 -2.324 1.395 8.266
154 HE2 HIS 20 2HE HIS 20 -0.961 0.351 10.111
155 H GLY 21 H GLY 21 3.449 3.405 5.143
156 1HA GLY 21 2HA GLY 21 6.044 3.872 5.859
157 2HA GLY 21 1HA GLY 21 5.422 4.187 4.247
158 H ARG 22 H ARG 22 3.601 6.290 5.160
159 HA ARG 22 HA ARG 22 3.620 8.568 5.227
160 1HB ARG 22 2HB ARG 22 4.971 7.574 7.562
161 2HB ARG 22 1HB ARG 22 5.676 9.113 7.089
162 1HG ARG 22 2HG ARG 22 3.466 10.146 7.129
163 2HG ARG 22 1HG ARG 22 2.751 8.599 7.592
164 1HD ARG 22 2HD ARG 22 4.646 8.829 9.490
165 2HD ARG 22 1HD ARG 22 4.305 10.534 9.192
166 HE ARG 22 HE ARG 22 1.946 8.939 9.567
167 1HH1 ARG 22 1HH1 ARG 22 4.455 10.748 11.183
168 2HH1 ARG 22 2HH1 ARG 22 3.503 11.043 12.599
169 1HH2 ARG 22 1HH2 ARG 22 0.692 9.328 11.428
170 2HH2 ARG 22 2HH2 ARG 22 1.367 10.236 12.740
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 12.075 -4.956 1.606
2 2H LYS 1 2HT LYS 1 12.985 -4.156 2.820
3 3H LYS 1 3HT LYS 1 12.844 -3.467 1.255
4 HA LYS 1 HA LYS 1 10.833 -3.706 3.369
5 1HB LYS 1 2HB LYS 1 12.257 -1.561 1.856
6 2HB LYS 1 1HB LYS 1 10.623 -1.235 2.417
7 1HG LYS 1 2HG LYS 1 11.221 -1.303 4.634
8 2HG LYS 1 1HG LYS 1 12.630 -2.323 4.333
9 1HD LYS 1 2HD LYS 1 13.491 -0.190 4.853
10 2HD LYS 1 1HD LYS 1 13.620 -0.337 3.099
11 1HE LYS 1 2HE LYS 1 11.970 1.203 2.710
12 2HE LYS 1 1HE LYS 1 11.151 0.871 4.237
13 1HZ LYS 1 1HZ LYS 1 13.053 1.982 5.360
14 2HZ LYS 1 2HZ LYS 1 12.137 3.012 4.379
15 3HZ LYS 1 3HZ LYS 1 13.636 2.444 3.840
16 H VAL 2 H VAL 2 8.877 -2.198 2.440
17 HA VAL 2 HA VAL 2 7.832 -3.751 0.188
18 HB VAL 2 HB VAL 2 6.468 -3.654 2.245
19 1HG1 VAL 2 1HG1 VAL 2 5.278 -1.484 2.724
20 2HG1 VAL 2 2HG1 VAL 2 6.449 -0.696 1.665
21 3HG1 VAL 2 3HG1 VAL 2 6.994 -1.514 3.132
22 1HG2 VAL 2 1HG2 VAL 2 5.520 -3.792 -0.139
23 2HG2 VAL 2 2HG2 VAL 2 5.022 -2.118 0.107
24 3HG2 VAL 2 3HG2 VAL 2 4.406 -3.385 1.168
25 H GLY 3 H GLY 3 6.980 -2.807 -1.658
26 1HA GLY 3 2HA GLY 3 8.155 -0.337 -2.468
27 2HA GLY 3 1HA GLY 3 6.975 -1.273 -3.378
28 H ARG 4 H ARG 4 7.346 1.008 -0.720
29 HA ARG 4 HA ARG 4 4.934 1.607 0.152
30 1HB ARG 4 2HB ARG 4 5.672 4.154 -0.185
31 2HB ARG 4 1HB ARG 4 6.370 3.101 1.035
32 1HG ARG 4 2HG ARG 4 8.011 2.589 -1.049
33 2HG ARG 4 1HG ARG 4 7.575 4.265 -1.377
34 1HD ARG 4 2HD ARG 4 8.240 3.667 1.420
35 2HD ARG 4 1HD ARG 4 9.575 3.485 0.281
36 HE ARG 4 HE ARG 4 8.548 5.894 -0.374
37 1HH1 ARG 4 1HH1 ARG 4 9.561 4.498 2.660
38 2HH1 ARG 4 2HH1 ARG 4 10.031 6.017 3.345
39 1HH2 ARG 4 1HH2 ARG 4 9.167 7.892 0.524
40 2HH2 ARG 4 2HH2 ARG 4 9.808 7.945 2.133
41 H ASN 5 H ASN 5 5.948 2.351 -3.126
42 HA ASN 5 HA ASN 5 3.907 4.082 -3.882
43 1HB ASN 5 2HB ASN 5 6.020 3.141 -5.171
44 2HB ASN 5 1HB ASN 5 4.838 2.008 -5.819
45 1HD2 ASN 5 1HD2 ASN 5 2.779 3.100 -6.605
46 2HD2 ASN 5 2HD2 ASN 5 2.991 4.532 -7.546
47 H ASP 6 H ASP 6 3.684 0.791 -3.010
48 HA ASP 6 HA ASP 6 1.219 0.328 -4.481
49 1HB ASP 6 2HB ASP 6 2.750 -1.529 -4.403
50 2HB ASP 6 1HB ASP 6 2.881 -1.418 -2.654
51 HA PRO 7 HA PRO 7 -1.637 1.624 -1.380
52 1HB PRO 7 2HB PRO 7 -3.260 -0.685 -1.433
53 2HB PRO 7 1HB PRO 7 -3.493 0.791 -2.373
54 1HG PRO 7 2HG PRO 7 -2.226 -1.783 -3.166
55 2HG PRO 7 1HG PRO 7 -3.173 -0.645 -4.142
56 1HD PRO 7 2HD PRO 7 -0.516 -0.796 -4.394
57 2HD PRO 7 1HD PRO 7 -1.355 0.768 -4.479
58 H CYS 8 H CYS 8 -1.027 1.640 0.672
59 HA CYS 8 HA CYS 8 0.471 0.027 2.153
60 1HB CYS 8 2HB CYS 8 -0.592 2.147 2.933
61 2HB CYS 8 1HB CYS 8 -2.071 1.244 3.245
62 HG CYS 8 HG CYS 8 -0.805 1.389 5.476
63 HA PRO 9 HA PRO 9 -1.406 -3.989 2.381
64 1HB PRO 9 2HB PRO 9 -0.138 -4.855 4.662
65 2HB PRO 9 1HB PRO 9 0.589 -4.868 3.052
66 1HG PRO 9 2HG PRO 9 0.904 -2.870 5.257
67 2HG PRO 9 1HG PRO 9 2.135 -3.549 4.175
68 1HD PRO 9 2HD PRO 9 1.124 -1.102 3.773
69 2HD PRO 9 1HD PRO 9 1.526 -2.169 2.412
70 H CYS 10 H CYS 10 -1.662 -1.597 4.863
71 HA CYS 10 HA CYS 10 -3.147 -2.947 6.792
72 1HB CYS 10 2HB CYS 10 -3.911 -0.778 7.539
73 2HB CYS 10 1HB CYS 10 -2.223 -0.656 7.057
74 HG CYS 10 HG CYS 10 -4.596 0.565 5.475
75 H GLY 11 H GLY 11 -4.060 -1.871 3.629
76 1HA GLY 11 2HA GLY 11 -5.946 -2.546 2.437
77 2HA GLY 11 1HA GLY 11 -6.629 -3.182 3.925
78 H SER 12 H SER 12 -5.411 0.079 3.709
79 HA SER 12 HA SER 12 -8.076 1.086 4.298
80 1HB SER 12 2HB SER 12 -6.128 1.844 5.642
81 2HB SER 12 1HB SER 12 -5.441 2.576 4.191
82 HG SER 12 HG SER 12 -7.385 3.508 5.845
83 H GLY 13 H GLY 13 -5.497 1.595 1.911
84 1HA GLY 13 2HA GLY 13 -6.560 1.692 -0.427
85 2HA GLY 13 1HA GLY 13 -7.418 3.074 0.238
86 H LYS 14 H LYS 14 -5.007 3.832 1.833
87 HA LYS 14 HA LYS 14 -3.724 5.375 -0.266
88 1HB LYS 14 2HB LYS 14 -4.063 5.602 2.643
89 2HB LYS 14 1HB LYS 14 -2.475 6.093 2.071
90 1HG LYS 14 2HG LYS 14 -3.391 7.765 0.673
91 2HG LYS 14 1HG LYS 14 -5.028 7.138 0.880
92 1HD LYS 14 2HD LYS 14 -5.285 8.107 2.920
93 2HD LYS 14 1HD LYS 14 -3.579 7.934 3.337
94 1HE LYS 14 2HE LYS 14 -3.510 10.154 2.996
95 2HE LYS 14 1HE LYS 14 -3.430 9.706 1.293
96 1HZ LYS 14 1HZ LYS 14 -5.592 10.295 0.941
97 2HZ LYS 14 2HZ LYS 14 -5.197 11.406 2.154
98 3HZ LYS 14 3HZ LYS 14 -6.066 10.008 2.540
99 H LYS 15 H LYS 15 -1.540 5.341 -0.751
100 HA LYS 15 HA LYS 15 -0.233 2.858 -0.601
101 1HB LYS 15 2HB LYS 15 0.535 5.601 -1.484
102 2HB LYS 15 1HB LYS 15 1.813 4.417 -1.246
103 1HG LYS 15 2HG LYS 15 1.109 4.467 -3.561
104 2HG LYS 15 1HG LYS 15 0.711 2.912 -2.827
105 1HD LYS 15 2HD LYS 15 -1.170 3.579 -4.126
106 2HD LYS 15 1HD LYS 15 -1.603 3.801 -2.430
107 1HE LYS 15 2HE LYS 15 -1.688 6.058 -2.607
108 2HE LYS 15 1HE LYS 15 -0.382 6.122 -3.790
109 1HZ LYS 15 1HZ LYS 15 -2.280 4.931 -5.217
110 2HZ LYS 15 2HZ LYS 15 -2.070 6.609 -5.173
111 3HZ LYS 15 3HZ LYS 15 -3.245 5.880 -4.201
112 H TYR 16 H TYR 16 1.838 2.381 0.413
113 HA TYR 16 HA TYR 16 1.879 2.579 3.136
114 1HB TYR 16 2HB TYR 16 3.427 1.333 1.332
115 2HB TYR 16 1HB TYR 16 4.534 2.616 1.806
116 HD1 TYR 16 1HD TYR 16 6.170 1.549 3.063
117 HD2 TYR 16 2HD TYR 16 2.076 0.732 3.878
118 HE1 TYR 16 1HE TYR 16 6.829 0.243 5.041
119 HE2 TYR 16 2HE TYR 16 2.722 -0.575 5.858
120 HH TYR 16 HH TYR 16 5.838 -1.630 6.426
121 H LYS 17 H LYS 17 3.983 4.526 1.008
122 HA LYS 17 HA LYS 17 4.991 6.226 2.954
123 1HB LYS 17 2HB LYS 17 5.688 7.661 1.171
124 2HB LYS 17 1HB LYS 17 5.813 6.003 0.599
125 1HG LYS 17 2HG LYS 17 3.250 6.795 -0.125
126 2HG LYS 17 1HG LYS 17 4.263 8.205 -0.442
127 1HD LYS 17 2HD LYS 17 4.793 5.406 -1.441
128 2HD LYS 17 1HD LYS 17 4.104 6.721 -2.395
129 1HE LYS 17 2HE LYS 17 6.156 8.028 -2.036
130 2HE LYS 17 1HE LYS 17 6.842 6.680 -1.130
131 1HZ LYS 17 1HZ LYS 17 5.860 6.046 -3.787
132 2HZ LYS 17 2HZ LYS 17 7.262 5.526 -2.998
133 3HZ LYS 17 3HZ LYS 17 7.223 7.048 -3.734
134 H GLN 18 H GLN 18 1.860 6.195 1.499
135 HA GLN 18 HA GLN 18 1.264 8.901 2.449
136 1HB GLN 18 2HB GLN 18 -0.589 7.060 0.952
137 2HB GLN 18 1HB GLN 18 -0.700 8.808 1.117
138 1HG GLN 18 2HG GLN 18 1.527 8.887 -0.135
139 2HG GLN 18 1HG GLN 18 1.199 7.206 -0.555
140 1HE2 GLN 18 1HE2 GLN 18 1.150 10.068 -1.868
141 2HE2 GLN 18 2HE2 GLN 18 -0.253 9.977 -2.872
142 H CYS 19 H CYS 19 1.398 6.075 3.945
143 HA CYS 19 HA CYS 19 -0.779 6.773 5.734
144 1HB CYS 19 2HB CYS 19 -1.464 5.073 3.838
145 2HB CYS 19 1HB CYS 19 -0.661 3.911 4.892
146 HG CYS 19 HG CYS 19 -2.466 5.040 6.740
147 H HIS 20 H HIS 20 1.270 3.889 5.238
148 HA HIS 20 HA HIS 20 2.003 3.996 8.061
149 1HB HIS 20 2HB HIS 20 2.032 1.907 5.945
150 2HB HIS 20 1HB HIS 20 3.239 1.778 7.220
151 HD1 HIS 20 1HD HIS 20 0.960 -0.301 6.896
152 HD2 HIS 20 2HD HIS 20 0.841 2.968 9.454
153 HE1 HIS 20 1HE HIS 20 -0.707 -0.905 8.679
154 HE2 HIS 20 2HE HIS 20 -0.702 1.055 10.262
155 H GLY 21 H GLY 21 3.727 3.531 4.965
156 1HA GLY 21 2HA GLY 21 6.316 3.781 5.861
157 2HA GLY 21 1HA GLY 21 5.781 4.293 4.267
158 H ARG 22 H ARG 22 3.941 6.301 5.523
159 HA ARG 22 HA ARG 22 5.684 8.513 5.428
160 1HB ARG 22 2HB ARG 22 2.988 8.193 5.244
161 2HB ARG 22 1HB ARG 22 3.128 8.894 6.851
162 1HG ARG 22 2HG ARG 22 4.395 10.774 5.902
163 2HG ARG 22 1HG ARG 22 4.186 10.079 4.293
164 1HD ARG 22 2HD ARG 22 1.795 10.323 4.446
165 2HD ARG 22 1HD ARG 22 1.921 10.861 6.122
166 HE ARG 22 HE ARG 22 2.469 12.956 5.376
167 1HH1 ARG 22 1HH1 ARG 22 2.758 10.699 2.730
168 2HH1 ARG 22 2HH1 ARG 22 2.997 11.933 1.539
169 1HH2 ARG 22 1HH2 ARG 22 2.782 14.580 3.811
170 2HH2 ARG 22 2HH2 ARG 22 3.012 14.137 2.153
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 11.047 -3.762 4.675
2 2H LYS 1 2HT LYS 1 10.180 -5.164 4.199
3 3H LYS 1 3HT LYS 1 9.421 -3.626 4.151
4 HA LYS 1 HA LYS 1 11.227 -2.979 2.559
5 1HB LYS 1 2HB LYS 1 11.349 -5.980 2.238
6 2HB LYS 1 1HB LYS 1 12.319 -4.775 1.403
7 1HG LYS 1 2HG LYS 1 13.562 -4.284 3.349
8 2HG LYS 1 1HG LYS 1 12.433 -5.168 4.378
9 1HD LYS 1 2HD LYS 1 13.088 -7.263 3.305
10 2HD LYS 1 1HD LYS 1 14.199 -6.383 2.253
11 1HE LYS 1 2HE LYS 1 15.258 -5.534 4.440
12 2HE LYS 1 1HE LYS 1 14.376 -6.853 5.210
13 1HZ LYS 1 1HZ LYS 1 15.922 -7.557 2.851
14 2HZ LYS 1 2HZ LYS 1 15.723 -8.396 4.306
15 3HZ LYS 1 3HZ LYS 1 16.822 -7.115 4.215
16 H VAL 2 H VAL 2 8.959 -2.257 2.193
17 HA VAL 2 HA VAL 2 7.653 -3.921 0.137
18 HB VAL 2 HB VAL 2 6.277 -3.751 2.178
19 1HG1 VAL 2 1HG1 VAL 2 6.937 -1.673 3.109
20 2HG1 VAL 2 2HG1 VAL 2 5.239 -1.498 2.663
21 3HG1 VAL 2 3HG1 VAL 2 6.496 -0.794 1.644
22 1HG2 VAL 2 1HG2 VAL 2 5.007 -2.103 0.003
23 2HG2 VAL 2 2HG2 VAL 2 4.240 -3.256 1.096
24 3HG2 VAL 2 3HG2 VAL 2 5.318 -3.830 -0.176
25 H GLY 3 H GLY 3 6.505 -2.752 -1.533
26 1HA GLY 3 2HA GLY 3 7.993 -0.432 -2.407
27 2HA GLY 3 1HA GLY 3 6.720 -1.256 -3.299
28 H ARG 4 H ARG 4 7.401 1.085 -0.785
29 HA ARG 4 HA ARG 4 5.047 1.846 0.200
30 1HB ARG 4 2HB ARG 4 5.977 4.329 -0.262
31 2HB ARG 4 1HB ARG 4 6.561 3.282 1.019
32 1HG ARG 4 2HG ARG 4 8.214 2.507 -0.922
33 2HG ARG 4 1HG ARG 4 7.879 4.147 -1.478
34 1HD ARG 4 2HD ARG 4 8.710 5.097 0.498
35 2HD ARG 4 1HD ARG 4 8.643 3.560 1.359
36 HE ARG 4 HE ARG 4 10.695 3.017 0.489
37 1HH1 ARG 4 1HH1 ARG 4 9.410 5.756 -1.249
38 2HH1 ARG 4 2HH1 ARG 4 10.883 6.062 -2.105
39 1HH2 ARG 4 1HH2 ARG 4 12.634 3.418 -0.635
40 2HH2 ARG 4 2HH2 ARG 4 12.714 4.735 -1.757
41 H ASN 5 H ASN 5 5.952 2.303 -3.141
42 HA ASN 5 HA ASN 5 3.908 4.168 -3.786
43 1HB ASN 5 2HB ASN 5 6.082 3.417 -5.095
44 2HB ASN 5 1HB ASN 5 4.967 2.277 -5.840
45 1HD2 ASN 5 1HD2 ASN 5 4.936 5.700 -4.893
46 2HD2 ASN 5 2HD2 ASN 5 4.291 6.281 -6.386
47 H ASP 6 H ASP 6 3.567 1.078 -2.734
48 HA ASP 6 HA ASP 6 1.211 0.534 -4.400
49 1HB ASP 6 2HB ASP 6 2.793 -1.282 -4.479
50 2HB ASP 6 1HB ASP 6 2.947 -1.296 -2.727
51 HA PRO 7 HA PRO 7 -1.684 1.511 -1.220
52 1HB PRO 7 2HB PRO 7 -3.078 -0.967 -1.324
53 2HB PRO 7 1HB PRO 7 -3.514 0.543 -2.126
54 1HG PRO 7 2HG PRO 7 -2.086 -1.826 -3.201
55 2HG PRO 7 1HG PRO 7 -3.135 -0.666 -4.035
56 1HD PRO 7 2HD PRO 7 -0.480 -0.631 -4.375
57 2HD PRO 7 1HD PRO 7 -1.417 0.878 -4.306
58 H CYS 8 H CYS 8 -1.244 1.492 0.872
59 HA CYS 8 HA CYS 8 0.478 -0.041 2.267
60 1HB CYS 8 2HB CYS 8 -0.681 1.991 3.118
61 2HB CYS 8 1HB CYS 8 -2.118 1.016 3.403
62 HG CYS 8 HG CYS 8 -0.247 -0.359 5.027
63 HA PRO 9 HA PRO 9 -1.115 -4.176 2.443
64 1HB PRO 9 2HB PRO 9 0.096 -4.929 4.809
65 2HB PRO 9 1HB PRO 9 0.876 -4.954 3.225
66 1HG PRO 9 2HG PRO 9 1.039 -2.895 5.386
67 2HG PRO 9 1HG PRO 9 2.321 -3.521 4.333
68 1HD PRO 9 2HD PRO 9 1.188 -1.138 3.883
69 2HD PRO 9 1HD PRO 9 1.669 -2.197 2.542
70 H CYS 10 H CYS 10 -1.604 -1.824 4.936
71 HA CYS 10 HA CYS 10 -3.125 -3.268 6.770
72 1HB CYS 10 2HB CYS 10 -4.002 -1.142 7.514
73 2HB CYS 10 1HB CYS 10 -2.300 -0.947 7.113
74 HG CYS 10 HG CYS 10 -3.002 0.897 5.681
75 H GLY 11 H GLY 11 -4.036 -1.799 3.704
76 1HA GLY 11 2HA GLY 11 -5.803 -2.577 2.350
77 2HA GLY 11 1HA GLY 11 -6.512 -3.350 3.759
78 H SER 12 H SER 12 -5.435 -0.002 3.588
79 HA SER 12 HA SER 12 -8.110 0.861 4.339
80 1HB SER 12 2HB SER 12 -5.381 2.026 4.475
81 2HB SER 12 1HB SER 12 -6.718 3.161 4.286
82 HG SER 12 HG SER 12 -6.297 1.279 6.358
83 H GLY 13 H GLY 13 -5.733 2.376 2.166
84 1HA GLY 13 2HA GLY 13 -7.193 2.135 -0.207
85 2HA GLY 13 1HA GLY 13 -7.695 3.628 0.571
86 H LYS 14 H LYS 14 -5.196 4.324 1.716
87 HA LYS 14 HA LYS 14 -3.940 5.478 -0.605
88 1HB LYS 14 2HB LYS 14 -2.934 5.669 2.228
89 2HB LYS 14 1HB LYS 14 -2.693 6.807 0.909
90 1HG LYS 14 2HG LYS 14 -5.076 7.372 0.970
91 2HG LYS 14 1HG LYS 14 -5.300 6.247 2.310
92 1HD LYS 14 2HD LYS 14 -3.284 7.731 3.290
93 2HD LYS 14 1HD LYS 14 -4.070 8.935 2.265
94 1HE LYS 14 2HE LYS 14 -6.246 8.052 3.427
95 2HE LYS 14 1HE LYS 14 -5.117 7.501 4.665
96 1HZ LYS 14 1HZ LYS 14 -4.254 9.848 4.681
97 2HZ LYS 14 2HZ LYS 14 -5.812 9.638 5.305
98 3HZ LYS 14 3HZ LYS 14 -5.602 10.276 3.753
99 H LYS 15 H LYS 15 -1.292 5.612 0.053
100 HA LYS 15 HA LYS 15 -0.455 2.813 -0.260
101 1HB LYS 15 2HB LYS 15 1.721 4.472 -0.914
102 2HB LYS 15 1HB LYS 15 0.729 3.524 -2.009
103 1HG LYS 15 2HG LYS 15 -0.177 6.244 -1.186
104 2HG LYS 15 1HG LYS 15 1.076 6.062 -2.412
105 1HD LYS 15 2HD LYS 15 -0.632 5.902 -3.855
106 2HD LYS 15 1HD LYS 15 -0.792 4.254 -3.246
107 1HE LYS 15 2HE LYS 15 -2.714 4.710 -2.184
108 2HE LYS 15 1HE LYS 15 -2.135 6.272 -1.606
109 1HZ LYS 15 1HZ LYS 15 -3.520 5.614 -4.107
110 2HZ LYS 15 2HZ LYS 15 -2.448 6.922 -4.094
111 3HZ LYS 15 3HZ LYS 15 -3.774 6.906 -3.045
112 H TYR 16 H TYR 16 1.929 2.501 0.485
113 HA TYR 16 HA TYR 16 1.996 2.625 3.252
114 1HB TYR 16 2HB TYR 16 3.500 1.408 1.345
115 2HB TYR 16 1HB TYR 16 4.626 2.636 1.912
116 HD1 TYR 16 1HD TYR 16 2.087 0.829 3.934
117 HD2 TYR 16 2HD TYR 16 6.216 1.330 3.027
118 HE1 TYR 16 1HE TYR 16 2.672 -0.584 5.856
119 HE2 TYR 16 2HE TYR 16 6.813 -0.090 4.947
120 HH TYR 16 HH TYR 16 5.517 -2.028 6.279
121 H LYS 17 H LYS 17 4.193 4.474 1.131
122 HA LYS 17 HA LYS 17 5.148 6.203 3.079
123 1HB LYS 17 2HB LYS 17 5.851 7.655 1.239
124 2HB LYS 17 1HB LYS 17 6.185 5.967 0.877
125 1HG LYS 17 2HG LYS 17 4.846 5.965 -0.908
126 2HG LYS 17 1HG LYS 17 3.576 6.861 -0.074
127 1HD LYS 17 2HD LYS 17 4.705 8.947 -0.488
128 2HD LYS 17 1HD LYS 17 6.099 8.104 -1.166
129 1HE LYS 17 2HE LYS 17 5.147 7.989 -3.175
130 2HE LYS 17 1HE LYS 17 3.658 7.329 -2.501
131 1HZ LYS 17 1HZ LYS 17 3.048 9.339 -3.488
132 2HZ LYS 17 2HZ LYS 17 4.393 10.168 -2.883
133 3HZ LYS 17 3HZ LYS 17 3.144 9.707 -1.840
134 H GLN 18 H GLN 18 2.148 6.276 1.328
135 HA GLN 18 HA GLN 18 1.542 8.985 2.241
136 1HB GLN 18 2HB GLN 18 -0.255 7.174 0.644
137 2HB GLN 18 1HB GLN 18 -0.320 8.927 0.770
138 1HG GLN 18 2HG GLN 18 1.973 8.929 -0.339
139 2HG GLN 18 1HG GLN 18 1.655 7.239 -0.726
140 1HE2 GLN 18 1HE2 GLN 18 1.794 7.875 -2.944
141 2HE2 GLN 18 2HE2 GLN 18 0.439 8.607 -3.726
142 H CYS 19 H CYS 19 1.520 6.185 3.771
143 HA CYS 19 HA CYS 19 -0.758 6.937 5.407
144 1HB CYS 19 2HB CYS 19 -1.347 5.223 3.483
145 2HB CYS 19 1HB CYS 19 -0.636 4.062 4.604
146 HG CYS 19 HG CYS 19 -3.389 4.780 4.780
147 H HIS 20 H HIS 20 1.219 3.979 5.083
148 HA HIS 20 HA HIS 20 1.892 4.218 7.919
149 1HB HIS 20 2HB HIS 20 2.008 1.954 5.943
150 2HB HIS 20 1HB HIS 20 2.888 1.870 7.465
151 HD1 HIS 20 1HD HIS 20 1.466 0.017 8.478
152 HD2 HIS 20 2HD HIS 20 -0.745 3.334 7.304
153 HE1 HIS 20 1HE HIS 20 -0.831 -0.328 9.444
154 HE2 HIS 20 2HE HIS 20 -2.127 1.730 8.787
155 H GLY 21 H GLY 21 3.863 2.733 5.385
156 1HA GLY 21 2HA GLY 21 6.093 2.956 4.895
157 2HA GLY 21 1HA GLY 21 5.750 4.677 4.935
158 H ARG 22 H ARG 22 6.047 5.818 6.911
159 HA ARG 22 HA ARG 22 8.027 4.525 8.670
160 1HB ARG 22 2HB ARG 22 7.691 7.369 7.760
161 2HB ARG 22 1HB ARG 22 8.601 6.990 9.216
162 1HG ARG 22 2HG ARG 22 10.226 5.789 8.015
163 2HG ARG 22 1HG ARG 22 9.219 5.721 6.568
164 1HD ARG 22 2HD ARG 22 9.583 7.969 6.064
165 2HD ARG 22 1HD ARG 22 10.118 8.345 7.702
166 HE ARG 22 HE ARG 22 11.894 6.495 6.560
167 1HH1 ARG 22 1HH1 ARG 22 10.940 9.837 6.240
168 2HH1 ARG 22 2HH1 ARG 22 12.484 10.351 5.649
169 1HH2 ARG 22 1HH2 ARG 22 13.925 7.170 5.783
170 2HH2 ARG 22 2HH2 ARG 22 14.179 8.837 5.389
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 12.908 -2.761 1.240
2 2H LYS 1 2HT LYS 1 12.289 -4.351 1.423
3 3H LYS 1 3HT LYS 1 13.104 -3.589 2.728
4 HA LYS 1 HA LYS 1 10.886 -3.451 3.247
5 1HB LYS 1 2HB LYS 1 12.478 -1.218 2.760
6 2HB LYS 1 1HB LYS 1 10.924 -0.792 2.059
7 1HG LYS 1 2HG LYS 1 10.669 -0.032 4.202
8 2HG LYS 1 1HG LYS 1 9.986 -1.654 4.338
9 1HD LYS 1 2HD LYS 1 12.884 -1.486 4.797
10 2HD LYS 1 1HD LYS 1 11.894 -0.637 5.985
11 1HE LYS 1 2HE LYS 1 10.837 -3.264 5.337
12 2HE LYS 1 1HE LYS 1 12.484 -3.341 5.961
13 1HZ LYS 1 1HZ LYS 1 11.811 -2.149 7.909
14 2HZ LYS 1 2HZ LYS 1 10.765 -3.462 7.703
15 3HZ LYS 1 3HZ LYS 1 10.254 -1.903 7.294
16 H VAL 2 H VAL 2 8.706 -2.526 2.636
17 HA VAL 2 HA VAL 2 7.853 -3.719 0.187
18 HB VAL 2 HB VAL 2 6.417 -3.687 2.195
19 1HG1 VAL 2 1HG1 VAL 2 5.168 -1.533 2.654
20 2HG1 VAL 2 2HG1 VAL 2 6.398 -0.718 1.686
21 3HG1 VAL 2 3HG1 VAL 2 6.856 -1.571 3.161
22 1HG2 VAL 2 1HG2 VAL 2 4.384 -3.400 1.057
23 2HG2 VAL 2 2HG2 VAL 2 5.545 -3.809 -0.205
24 3HG2 VAL 2 3HG2 VAL 2 5.042 -2.134 0.020
25 H GLY 3 H GLY 3 7.034 -2.746 -1.664
26 1HA GLY 3 2HA GLY 3 8.222 -0.262 -2.397
27 2HA GLY 3 1HA GLY 3 7.064 -1.180 -3.353
28 H ARG 4 H ARG 4 7.394 1.107 -0.702
29 HA ARG 4 HA ARG 4 4.980 1.709 0.162
30 1HB ARG 4 2HB ARG 4 5.727 4.265 -0.311
31 2HB ARG 4 1HB ARG 4 6.322 3.283 1.016
32 1HG ARG 4 2HG ARG 4 8.120 2.605 -0.843
33 2HG ARG 4 1HG ARG 4 7.698 4.216 -1.423
34 1HD ARG 4 2HD ARG 4 8.593 5.248 0.386
35 2HD ARG 4 1HD ARG 4 8.175 3.926 1.476
36 HE ARG 4 HE ARG 4 10.626 4.253 -0.008
37 1HH1 ARG 4 1HH1 ARG 4 8.542 1.997 1.651
38 2HH1 ARG 4 2HH1 ARG 4 9.810 0.858 1.955
39 1HH2 ARG 4 1HH2 ARG 4 12.294 2.754 0.393
40 2HH2 ARG 4 2HH2 ARG 4 11.939 1.287 1.243
41 H ASN 5 H ASN 5 5.993 2.417 -3.125
42 HA ASN 5 HA ASN 5 3.921 4.094 -3.916
43 1HB ASN 5 2HB ASN 5 6.020 3.410 -5.212
44 2HB ASN 5 1HB ASN 5 5.111 1.985 -5.709
45 1HD2 ASN 5 1HD2 ASN 5 4.937 2.442 -7.836
46 2HD2 ASN 5 2HD2 ASN 5 4.066 3.794 -8.467
47 H ASP 6 H ASP 6 3.730 0.837 -2.966
48 HA ASP 6 HA ASP 6 1.306 0.312 -4.492
49 1HB ASP 6 2HB ASP 6 2.719 -1.570 -4.466
50 2HB ASP 6 1HB ASP 6 3.106 -1.373 -2.762
51 HA PRO 7 HA PRO 7 -1.628 1.506 -1.436
52 1HB PRO 7 2HB PRO 7 -2.796 -1.208 -1.862
53 2HB PRO 7 1HB PRO 7 -3.586 0.373 -1.892
54 1HG PRO 7 2HG PRO 7 -3.040 -0.911 -4.159
55 2HG PRO 7 1HG PRO 7 -2.850 0.849 -4.040
56 1HD PRO 7 2HD PRO 7 -0.772 -1.285 -4.072
57 2HD PRO 7 1HD PRO 7 -0.707 0.364 -4.720
58 H CYS 8 H CYS 8 -1.063 1.564 0.634
59 HA CYS 8 HA CYS 8 0.469 -0.001 2.149
60 1HB CYS 8 2HB CYS 8 -0.664 2.111 2.877
61 2HB CYS 8 1HB CYS 8 -2.113 1.167 3.202
62 HG CYS 8 HG CYS 8 -0.285 -0.161 4.898
63 HA PRO 9 HA PRO 9 -1.339 -4.047 2.395
64 1HB PRO 9 2HB PRO 9 -0.105 -4.856 4.719
65 2HB PRO 9 1HB PRO 9 0.648 -4.894 3.122
66 1HG PRO 9 2HG PRO 9 0.915 -2.858 5.295
67 2HG PRO 9 1HG PRO 9 2.163 -3.531 4.229
68 1HD PRO 9 2HD PRO 9 1.114 -1.102 3.798
69 2HD PRO 9 1HD PRO 9 1.558 -2.172 2.453
70 H CYS 10 H CYS 10 -1.663 -1.643 4.866
71 HA CYS 10 HA CYS 10 -3.201 -3.020 6.747
72 1HB CYS 10 2HB CYS 10 -3.934 -0.864 7.535
73 2HB CYS 10 1HB CYS 10 -2.244 -0.738 7.062
74 HG CYS 10 HG CYS 10 -3.153 0.434 4.821
75 H GLY 11 H GLY 11 -4.037 -1.769 3.611
76 1HA GLY 11 2HA GLY 11 -5.896 -2.336 2.333
77 2HA GLY 11 1HA GLY 11 -6.588 -3.128 3.739
78 H SER 12 H SER 12 -5.439 0.187 3.713
79 HA SER 12 HA SER 12 -8.103 1.083 4.469
80 1HB SER 12 2HB SER 12 -5.363 2.311 4.566
81 2HB SER 12 1HB SER 12 -6.798 3.323 4.720
82 HG SER 12 HG SER 12 -6.210 1.065 6.338
83 H GLY 13 H GLY 13 -5.711 1.595 1.923
84 1HA GLY 13 2HA GLY 13 -6.843 1.841 -0.327
85 2HA GLY 13 1HA GLY 13 -7.728 3.153 0.433
86 H LYS 14 H LYS 14 -4.807 3.381 1.819
87 HA LYS 14 HA LYS 14 -3.814 5.210 -0.265
88 1HB LYS 14 2HB LYS 14 -4.041 5.436 2.673
89 2HB LYS 14 1HB LYS 14 -2.548 6.052 1.979
90 1HG LYS 14 2HG LYS 14 -3.878 7.470 0.460
91 2HG LYS 14 1HG LYS 14 -5.344 6.902 1.260
92 1HD LYS 14 2HD LYS 14 -3.209 7.989 2.997
93 2HD LYS 14 1HD LYS 14 -4.067 9.144 1.975
94 1HE LYS 14 2HE LYS 14 -6.138 8.639 2.959
95 2HE LYS 14 1HE LYS 14 -5.525 7.155 3.688
96 1HZ LYS 14 1HZ LYS 14 -5.103 9.944 4.532
97 2HZ LYS 14 2HZ LYS 14 -3.971 8.758 4.948
98 3HZ LYS 14 3HZ LYS 14 -5.577 8.607 5.456
99 H LYS 15 H LYS 15 -1.586 5.305 -0.676
100 HA LYS 15 HA LYS 15 -0.228 2.838 -0.591
101 1HB LYS 15 2HB LYS 15 0.589 5.638 -1.309
102 2HB LYS 15 1HB LYS 15 1.777 4.343 -1.265
103 1HG LYS 15 2HG LYS 15 1.229 3.941 -3.377
104 2HG LYS 15 1HG LYS 15 -0.281 3.272 -2.756
105 1HD LYS 15 2HD LYS 15 -0.263 6.194 -3.018
106 2HD LYS 15 1HD LYS 15 -0.096 5.324 -4.544
107 1HE LYS 15 2HE LYS 15 -2.093 3.947 -3.821
108 2HE LYS 15 1HE LYS 15 -2.317 5.120 -2.523
109 1HZ LYS 15 1HZ LYS 15 -2.283 6.832 -4.411
110 2HZ LYS 15 2HZ LYS 15 -3.679 5.898 -4.208
111 3HZ LYS 15 3HZ LYS 15 -2.579 5.517 -5.435
112 H TYR 16 H TYR 16 1.904 2.449 0.392
113 HA TYR 16 HA TYR 16 1.890 2.611 3.144
114 1HB TYR 16 2HB TYR 16 3.446 1.351 1.344
115 2HB TYR 16 1HB TYR 16 4.555 2.623 1.844
116 HD1 TYR 16 1HD TYR 16 2.047 0.802 3.903
117 HD2 TYR 16 2HD TYR 16 6.164 1.485 3.085
118 HE1 TYR 16 1HE TYR 16 2.652 -0.513 5.891
119 HE2 TYR 16 2HE TYR 16 6.783 0.173 5.071
120 HH TYR 16 HH TYR 16 4.623 -0.651 7.477
121 H LYS 17 H LYS 17 4.101 4.481 1.058
122 HA LYS 17 HA LYS 17 5.069 6.204 2.989
123 1HB LYS 17 2HB LYS 17 5.562 7.755 1.083
124 2HB LYS 17 1HB LYS 17 6.128 6.107 0.851
125 1HG LYS 17 2HG LYS 17 4.999 5.958 -1.045
126 2HG LYS 17 1HG LYS 17 3.491 6.319 -0.203
127 1HD LYS 17 2HD LYS 17 3.482 8.468 -0.881
128 2HD LYS 17 1HD LYS 17 5.229 8.639 -0.692
129 1HE LYS 17 2HE LYS 17 5.257 7.038 -2.791
130 2HE LYS 17 1HE LYS 17 3.646 7.710 -3.036
131 1HZ LYS 17 1HZ LYS 17 5.755 9.627 -2.467
132 2HZ LYS 17 2HZ LYS 17 4.470 9.723 -3.563
133 3HZ LYS 17 3HZ LYS 17 5.858 8.843 -3.964
134 H GLN 18 H GLN 18 1.968 6.196 1.467
135 HA GLN 18 HA GLN 18 1.387 8.913 2.395
136 1HB GLN 18 2HB GLN 18 -0.455 7.106 0.846
137 2HB GLN 18 1HB GLN 18 -0.536 8.856 1.005
138 1HG GLN 18 2HG GLN 18 1.663 8.955 -0.220
139 2HG GLN 18 1HG GLN 18 1.449 7.240 -0.564
140 1HE2 GLN 18 1HE2 GLN 18 -1.342 7.264 -0.937
141 2HE2 GLN 18 2HE2 GLN 18 -1.679 8.109 -2.405
142 H CYS 19 H CYS 19 1.439 6.076 3.882
143 HA CYS 19 HA CYS 19 -0.774 6.805 5.616
144 1HB CYS 19 2HB CYS 19 -1.438 5.125 3.693
145 2HB CYS 19 1HB CYS 19 -0.686 3.944 4.766
146 HG CYS 19 HG CYS 19 -2.891 5.670 6.034
147 H HIS 20 H HIS 20 1.239 3.881 5.172
148 HA HIS 20 HA HIS 20 1.947 4.051 8.009
149 1HB HIS 20 2HB HIS 20 1.766 1.843 6.027
150 2HB HIS 20 1HB HIS 20 2.974 1.686 7.297
151 HD1 HIS 20 1HD HIS 20 0.516 -0.198 7.123
152 HD2 HIS 20 2HD HIS 20 0.724 3.219 9.474
153 HE1 HIS 20 1HE HIS 20 -1.172 -0.540 8.956
154 HE2 HIS 20 2HE HIS 20 -1.100 1.586 10.307
155 H GLY 21 H GLY 21 3.549 3.363 4.896
156 1HA GLY 21 2HA GLY 21 6.167 3.288 5.631
157 2HA GLY 21 1HA GLY 21 5.623 4.007 4.124
158 H ARG 22 H ARG 22 4.140 6.135 5.564
159 HA ARG 22 HA ARG 22 6.284 8.016 5.722
160 1HB ARG 22 2HB ARG 22 3.557 8.166 5.264
161 2HB ARG 22 1HB ARG 22 3.742 8.917 6.842
162 1HG ARG 22 2HG ARG 22 5.647 10.256 5.704
163 2HG ARG 22 1HG ARG 22 4.856 9.765 4.205
164 1HD ARG 22 2HD ARG 22 2.893 10.914 4.725
165 2HD ARG 22 1HD ARG 22 3.296 11.013 6.438
166 HE ARG 22 HE ARG 22 5.257 12.454 5.273
167 1HH1 ARG 22 1HH1 ARG 22 1.778 12.543 5.017
168 2HH1 ARG 22 2HH1 ARG 22 1.721 14.241 4.683
169 1HH2 ARG 22 1HH2 ARG 22 5.185 14.687 4.835
170 2HH2 ARG 22 2HH2 ARG 22 3.655 15.459 4.579
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 10.229 -4.466 4.358
2 2H LYS 1 2HT LYS 1 9.739 -2.852 4.045
3 3H LYS 1 3HT LYS 1 11.313 -3.171 4.652
4 HA LYS 1 HA LYS 1 11.591 -2.732 2.425
5 1HB LYS 1 2HB LYS 1 11.455 -5.727 2.848
6 2HB LYS 1 1HB LYS 1 12.370 -4.920 1.582
7 1HG LYS 1 2HG LYS 1 12.841 -4.469 4.517
8 2HG LYS 1 1HG LYS 1 13.711 -5.664 3.552
9 1HD LYS 1 2HD LYS 1 13.640 -2.956 2.409
10 2HD LYS 1 1HD LYS 1 14.525 -3.101 3.929
11 1HE LYS 1 2HE LYS 1 15.631 -5.155 2.802
12 2HE LYS 1 1HE LYS 1 15.044 -4.437 1.301
13 1HZ LYS 1 1HZ LYS 1 16.522 -2.759 1.422
14 2HZ LYS 1 2HZ LYS 1 17.398 -3.853 2.369
15 3HZ LYS 1 3HZ LYS 1 16.461 -2.656 3.110
16 H VAL 2 H VAL 2 9.040 -2.127 2.323
17 HA VAL 2 HA VAL 2 7.856 -3.853 0.247
18 HB VAL 2 HB VAL 2 6.473 -3.653 2.286
19 1HG1 VAL 2 1HG1 VAL 2 5.335 -1.417 2.651
20 2HG1 VAL 2 2HG1 VAL 2 6.593 -0.716 1.631
21 3HG1 VAL 2 3HG1 VAL 2 7.027 -1.520 3.142
22 1HG2 VAL 2 1HG2 VAL 2 4.453 -3.408 1.168
23 2HG2 VAL 2 2HG2 VAL 2 5.573 -3.788 -0.141
24 3HG2 VAL 2 3HG2 VAL 2 5.066 -2.119 0.131
25 H GLY 3 H GLY 3 6.673 -2.781 -1.465
26 1HA GLY 3 2HA GLY 3 8.090 -0.469 -2.444
27 2HA GLY 3 1HA GLY 3 6.794 -1.330 -3.269
28 H ARG 4 H ARG 4 7.523 1.059 -0.804
29 HA ARG 4 HA ARG 4 5.189 1.837 0.209
30 1HB ARG 4 2HB ARG 4 6.107 4.312 -0.294
31 2HB ARG 4 1HB ARG 4 6.733 3.274 0.975
32 1HG ARG 4 2HG ARG 4 8.322 2.494 -1.025
33 2HG ARG 4 1HG ARG 4 7.974 4.140 -1.556
34 1HD ARG 4 2HD ARG 4 8.998 5.085 0.267
35 2HD ARG 4 1HD ARG 4 8.718 3.672 1.284
36 HE ARG 4 HE ARG 4 10.516 3.044 -0.810
37 1HH1 ARG 4 1HH1 ARG 4 10.338 4.764 2.221
38 2HH1 ARG 4 2HH1 ARG 4 12.022 4.567 2.575
39 1HH2 ARG 4 1HH2 ARG 4 12.731 2.782 -0.345
40 2HH2 ARG 4 2HH2 ARG 4 13.380 3.442 1.119
41 H ASN 5 H ASN 5 6.032 2.257 -3.157
42 HA ASN 5 HA ASN 5 3.945 4.100 -3.761
43 1HB ASN 5 2HB ASN 5 6.065 3.663 -5.116
44 2HB ASN 5 1HB ASN 5 5.248 2.230 -5.733
45 1HD2 ASN 5 1HD2 ASN 5 5.061 2.874 -7.818
46 2HD2 ASN 5 2HD2 ASN 5 4.088 4.207 -8.329
47 H ASP 6 H ASP 6 3.677 1.001 -2.741
48 HA ASP 6 HA ASP 6 1.366 0.389 -4.443
49 1HB ASP 6 2HB ASP 6 3.007 -1.381 -4.454
50 2HB ASP 6 1HB ASP 6 3.092 -1.381 -2.698
51 HA PRO 7 HA PRO 7 -1.646 1.324 -1.362
52 1HB PRO 7 2HB PRO 7 -2.967 -1.194 -1.482
53 2HB PRO 7 1HB PRO 7 -3.421 0.296 -2.310
54 1HG PRO 7 2HG PRO 7 -1.898 -2.040 -3.322
55 2HG PRO 7 1HG PRO 7 -2.951 -0.915 -4.198
56 1HD PRO 7 2HD PRO 7 -0.288 -0.811 -4.457
57 2HD PRO 7 1HD PRO 7 -1.267 0.671 -4.431
58 H CYS 8 H CYS 8 -1.234 1.348 0.736
59 HA CYS 8 HA CYS 8 0.472 -0.148 2.194
60 1HB CYS 8 2HB CYS 8 -0.819 1.904 2.926
61 2HB CYS 8 1HB CYS 8 -2.150 0.825 3.332
62 HG CYS 8 HG CYS 8 0.489 1.088 4.899
63 HA PRO 9 HA PRO 9 -1.074 -4.299 2.387
64 1HB PRO 9 2HB PRO 9 0.036 -4.963 4.843
65 2HB PRO 9 1HB PRO 9 0.866 -5.067 3.289
66 1HG PRO 9 2HG PRO 9 0.986 -2.922 5.363
67 2HG PRO 9 1HG PRO 9 2.287 -3.586 4.356
68 1HD PRO 9 2HD PRO 9 1.168 -1.217 3.805
69 2HD PRO 9 1HD PRO 9 1.670 -2.321 2.509
70 H CYS 10 H CYS 10 -1.591 -1.962 4.929
71 HA CYS 10 HA CYS 10 -3.294 -3.437 6.592
72 1HB CYS 10 2HB CYS 10 -4.029 -1.319 7.480
73 2HB CYS 10 1HB CYS 10 -2.303 -1.218 7.151
74 HG CYS 10 HG CYS 10 -3.191 0.040 4.839
75 H GLY 11 H GLY 11 -3.966 -1.525 3.693
76 1HA GLY 11 2HA GLY 11 -5.695 -1.987 2.164
77 2HA GLY 11 1HA GLY 11 -6.488 -2.964 3.389
78 H SER 12 H SER 12 -5.326 0.360 3.712
79 HA SER 12 HA SER 12 -7.982 1.162 4.587
80 1HB SER 12 2HB SER 12 -5.234 2.276 4.835
81 2HB SER 12 1HB SER 12 -6.574 3.423 4.849
82 HG SER 12 HG SER 12 -7.490 2.140 6.554
83 H GLY 13 H GLY 13 -5.660 1.899 2.028
84 1HA GLY 13 2HA GLY 13 -7.053 2.303 -0.125
85 2HA GLY 13 1HA GLY 13 -7.622 3.697 0.782
86 H LYS 14 H LYS 14 -5.005 4.122 2.049
87 HA LYS 14 HA LYS 14 -3.740 5.497 -0.203
88 1HB LYS 14 2HB LYS 14 -3.539 5.833 2.788
89 2HB LYS 14 1HB LYS 14 -2.446 6.645 1.675
90 1HG LYS 14 2HG LYS 14 -3.923 8.252 1.337
91 2HG LYS 14 1HG LYS 14 -5.133 7.077 0.817
92 1HD LYS 14 2HD LYS 14 -5.428 6.656 3.369
93 2HD LYS 14 1HD LYS 14 -4.656 8.234 3.535
94 1HE LYS 14 2HE LYS 14 -7.135 7.654 1.918
95 2HE LYS 14 1HE LYS 14 -7.108 8.396 3.516
96 1HZ LYS 14 1HZ LYS 14 -6.352 9.529 0.929
97 2HZ LYS 14 2HZ LYS 14 -5.490 10.044 2.290
98 3HZ LYS 14 3HZ LYS 14 -7.170 10.246 2.226
99 H LYS 15 H LYS 15 -1.639 5.157 -0.817
100 HA LYS 15 HA LYS 15 -0.504 2.638 -0.406
101 1HB LYS 15 2HB LYS 15 1.595 3.743 -1.370
102 2HB LYS 15 1HB LYS 15 0.149 3.736 -2.369
103 1HG LYS 15 2HG LYS 15 0.088 6.100 -0.831
104 2HG LYS 15 1HG LYS 15 1.717 5.944 -1.494
105 1HD LYS 15 2HD LYS 15 0.749 6.975 -3.269
106 2HD LYS 15 1HD LYS 15 0.302 5.318 -3.677
107 1HE LYS 15 2HE LYS 15 -1.889 5.598 -2.918
108 2HE LYS 15 1HE LYS 15 -1.476 7.032 -1.977
109 1HZ LYS 15 1HZ LYS 15 -2.720 7.502 -4.050
110 2HZ LYS 15 2HZ LYS 15 -1.407 6.922 -4.943
111 3HZ LYS 15 3HZ LYS 15 -1.226 8.293 -3.969
112 H TYR 16 H TYR 16 1.811 2.333 0.412
113 HA TYR 16 HA TYR 16 1.920 2.558 3.135
114 1HB TYR 16 2HB TYR 16 3.506 1.442 1.228
115 2HB TYR 16 1HB TYR 16 4.548 2.733 1.812
116 HD1 TYR 16 1HD TYR 16 6.206 1.537 2.943
117 HD2 TYR 16 2HD TYR 16 2.111 0.742 3.791
118 HE1 TYR 16 1HE TYR 16 6.877 0.146 4.860
119 HE2 TYR 16 2HE TYR 16 2.771 -0.646 5.710
120 HH TYR 16 HH TYR 16 4.671 -0.919 7.223
121 H LYS 17 H LYS 17 3.969 4.548 0.993
122 HA LYS 17 HA LYS 17 4.903 6.312 2.893
123 1HB LYS 17 2HB LYS 17 5.202 7.917 0.970
124 2HB LYS 17 1HB LYS 17 5.899 6.319 0.740
125 1HG LYS 17 2HG LYS 17 4.600 5.880 -1.018
126 2HG LYS 17 1HG LYS 17 3.160 6.530 -0.233
127 1HD LYS 17 2HD LYS 17 3.359 8.503 -1.272
128 2HD LYS 17 1HD LYS 17 5.093 8.590 -0.954
129 1HE LYS 17 2HE LYS 17 5.613 7.837 -2.995
130 2HE LYS 17 1HE LYS 17 4.388 6.571 -2.936
131 1HZ LYS 17 1HZ LYS 17 3.321 9.235 -3.225
132 2HZ LYS 17 2HZ LYS 17 2.940 7.819 -4.067
133 3HZ LYS 17 3HZ LYS 17 4.284 8.740 -4.525
134 H GLN 18 H GLN 18 1.817 6.347 1.231
135 HA GLN 18 HA GLN 18 1.130 8.950 2.363
136 1HB GLN 18 2HB GLN 18 -0.605 7.148 0.684
137 2HB GLN 18 1HB GLN 18 -0.825 8.866 0.989
138 1HG GLN 18 2HG GLN 18 1.658 7.915 -0.364
139 2HG GLN 18 1HG GLN 18 0.157 8.062 -1.277
140 1HE2 GLN 18 1HE2 GLN 18 0.506 9.794 -2.512
141 2HE2 GLN 18 2HE2 GLN 18 0.929 11.363 -1.928
142 H CYS 19 H CYS 19 1.326 6.154 3.796
143 HA CYS 19 HA CYS 19 -0.996 6.660 5.460
144 1HB CYS 19 2HB CYS 19 -1.450 4.969 3.490
145 2HB CYS 19 1HB CYS 19 -0.632 3.834 4.566
146 HG CYS 19 HG CYS 19 -3.146 3.683 5.096
147 H HIS 20 H HIS 20 1.256 3.915 5.050
148 HA HIS 20 HA HIS 20 1.938 4.190 7.887
149 1HB HIS 20 2HB HIS 20 1.941 1.910 5.964
150 2HB HIS 20 1HB HIS 20 3.102 1.878 7.286
151 HD1 HIS 20 1HD HIS 20 0.827 -0.195 7.120
152 HD2 HIS 20 2HD HIS 20 0.624 3.347 9.279
153 HE1 HIS 20 1HE HIS 20 -0.920 -0.587 8.887
154 HE2 HIS 20 2HE HIS 20 -0.966 1.543 10.234
155 H GLY 21 H GLY 21 3.957 2.711 5.398
156 1HA GLY 21 2HA GLY 21 6.162 3.044 4.861
157 2HA GLY 21 1HA GLY 21 5.728 4.745 4.839
158 H ARG 22 H ARG 22 5.976 5.974 6.771
159 HA ARG 22 HA ARG 22 7.994 4.833 8.592
160 1HB ARG 22 2HB ARG 22 7.807 7.412 7.197
161 2HB ARG 22 1HB ARG 22 8.215 7.549 8.902
162 1HG ARG 22 2HG ARG 22 10.227 6.484 8.650
163 2HG ARG 22 1HG ARG 22 9.697 5.586 7.226
164 1HD ARG 22 2HD ARG 22 9.961 7.442 5.820
165 2HD ARG 22 1HD ARG 22 10.013 8.570 7.174
166 HE ARG 22 HE ARG 22 12.202 7.061 6.087
167 1HH1 ARG 22 1HH1 ARG 22 10.983 8.691 8.921
168 2HH1 ARG 22 2HH1 ARG 22 12.556 8.959 9.597
169 1HH2 ARG 22 1HH2 ARG 22 14.271 7.410 6.974
170 2HH2 ARG 22 2HH2 ARG 22 14.422 8.233 8.491
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 11.281 -3.539 4.651
2 2H LYS 1 2HT LYS 1 10.725 -4.997 3.939
3 3H LYS 1 3HT LYS 1 9.656 -3.667 4.121
4 HA LYS 1 HA LYS 1 11.255 -2.404 2.689
5 1HB LYS 1 2HB LYS 1 12.026 -5.213 1.894
6 2HB LYS 1 1HB LYS 1 12.707 -3.706 1.299
7 1HG LYS 1 2HG LYS 1 13.006 -4.844 4.069
8 2HG LYS 1 1HG LYS 1 14.249 -4.751 2.820
9 1HD LYS 1 2HD LYS 1 14.004 -2.264 2.873
10 2HD LYS 1 1HD LYS 1 12.924 -2.453 4.255
11 1HE LYS 1 2HE LYS 1 14.989 -3.901 5.133
12 2HE LYS 1 1HE LYS 1 15.860 -2.798 4.069
13 1HZ LYS 1 1HZ LYS 1 15.782 -1.869 6.253
14 2HZ LYS 1 2HZ LYS 1 14.104 -2.054 6.343
15 3HZ LYS 1 3HZ LYS 1 14.774 -0.943 5.259
16 H VAL 2 H VAL 2 8.887 -2.139 2.384
17 HA VAL 2 HA VAL 2 7.810 -3.854 0.250
18 HB VAL 2 HB VAL 2 6.405 -3.655 2.271
19 1HG1 VAL 2 1HG1 VAL 2 6.910 -1.512 3.119
20 2HG1 VAL 2 2HG1 VAL 2 5.229 -1.423 2.594
21 3HG1 VAL 2 3HG1 VAL 2 6.502 -0.723 1.594
22 1HG2 VAL 2 1HG2 VAL 2 4.337 -3.246 1.150
23 2HG2 VAL 2 2HG2 VAL 2 5.439 -3.965 -0.024
24 3HG2 VAL 2 3HG2 VAL 2 5.124 -2.230 -0.058
25 H GLY 3 H GLY 3 6.606 -2.824 -1.481
26 1HA GLY 3 2HA GLY 3 8.000 -0.527 -2.511
27 2HA GLY 3 1HA GLY 3 6.686 -1.394 -3.299
28 H ARG 4 H ARG 4 7.458 1.008 -0.853
29 HA ARG 4 HA ARG 4 5.131 1.818 0.155
30 1HB ARG 4 2HB ARG 4 6.087 4.279 -0.341
31 2HB ARG 4 1HB ARG 4 6.700 3.230 0.925
32 1HG ARG 4 2HG ARG 4 8.261 2.439 -1.114
33 2HG ARG 4 1HG ARG 4 7.959 4.112 -1.585
34 1HD ARG 4 2HD ARG 4 9.063 4.961 0.219
35 2HD ARG 4 1HD ARG 4 8.673 3.578 1.240
36 HE ARG 4 HE ARG 4 10.646 2.625 0.611
37 1HH1 ARG 4 1HH1 ARG 4 9.814 5.073 -1.732
38 2HH1 ARG 4 2HH1 ARG 4 11.302 4.923 -2.603
39 1HH2 ARG 4 1HH2 ARG 4 12.604 2.424 -0.534
40 2HH2 ARG 4 2HH2 ARG 4 12.887 3.419 -1.924
41 H ASN 5 H ASN 5 5.985 2.208 -3.210
42 HA ASN 5 HA ASN 5 3.944 4.090 -3.838
43 1HB ASN 5 2HB ASN 5 6.099 3.331 -5.172
44 2HB ASN 5 1HB ASN 5 4.972 2.189 -5.897
45 1HD2 ASN 5 1HD2 ASN 5 4.402 2.910 -7.811
46 2HD2 ASN 5 2HD2 ASN 5 3.954 4.534 -8.196
47 H ASP 6 H ASP 6 3.599 1.016 -2.755
48 HA ASP 6 HA ASP 6 1.238 0.451 -4.405
49 1HB ASP 6 2HB ASP 6 2.833 -1.362 -4.442
50 2HB ASP 6 1HB ASP 6 2.956 -1.355 -2.688
51 HA PRO 7 HA PRO 7 -1.664 1.479 -1.247
52 1HB PRO 7 2HB PRO 7 -3.053 -1.002 -1.311
53 2HB PRO 7 1HB PRO 7 -3.489 0.493 -2.140
54 1HG PRO 7 2HG PRO 7 -2.055 -1.893 -3.168
55 2HG PRO 7 1HG PRO 7 -3.104 -0.751 -4.026
56 1HD PRO 7 2HD PRO 7 -0.449 -0.714 -4.363
57 2HD PRO 7 1HD PRO 7 -1.390 0.792 -4.322
58 H CYS 8 H CYS 8 -1.204 1.497 0.847
59 HA CYS 8 HA CYS 8 0.511 -0.033 2.259
60 1HB CYS 8 2HB CYS 8 -0.675 2.033 3.059
61 2HB CYS 8 1HB CYS 8 -2.066 1.023 3.433
62 HG CYS 8 HG CYS 8 -0.917 1.009 5.636
63 HA PRO 9 HA PRO 9 -1.054 -4.175 2.483
64 1HB PRO 9 2HB PRO 9 0.017 -4.782 4.986
65 2HB PRO 9 1HB PRO 9 0.846 -4.969 3.438
66 1HG PRO 9 2HG PRO 9 1.024 -2.755 5.432
67 2HG PRO 9 1HG PRO 9 2.301 -3.477 4.434
68 1HD PRO 9 2HD PRO 9 1.236 -1.104 3.816
69 2HD PRO 9 1HD PRO 9 1.680 -2.267 2.550
70 H CYS 10 H CYS 10 -1.631 -1.782 4.947
71 HA CYS 10 HA CYS 10 -3.329 -3.201 6.650
72 1HB CYS 10 2HB CYS 10 -4.182 -1.033 7.360
73 2HB CYS 10 1HB CYS 10 -2.437 -0.950 7.146
74 HG CYS 10 HG CYS 10 -2.930 1.019 5.781
75 H GLY 11 H GLY 11 -3.913 -1.735 3.526
76 1HA GLY 11 2HA GLY 11 -5.634 -2.208 2.041
77 2HA GLY 11 1HA GLY 11 -6.395 -3.191 3.283
78 H SER 12 H SER 12 -5.429 0.185 3.608
79 HA SER 12 HA SER 12 -8.166 0.856 4.335
80 1HB SER 12 2HB SER 12 -5.955 1.601 5.548
81 2HB SER 12 1HB SER 12 -5.936 2.858 4.311
82 HG SER 12 HG SER 12 -7.342 2.803 6.546
83 H GLY 13 H GLY 13 -5.709 1.849 1.974
84 1HA GLY 13 2HA GLY 13 -7.046 2.137 -0.275
85 2HA GLY 13 1HA GLY 13 -7.687 3.516 0.606
86 H LYS 14 H LYS 14 -5.063 3.916 1.969
87 HA LYS 14 HA LYS 14 -3.809 5.417 -0.204
88 1HB LYS 14 2HB LYS 14 -3.268 5.554 2.767
89 2HB LYS 14 1HB LYS 14 -2.670 6.665 1.543
90 1HG LYS 14 2HG LYS 14 -5.341 6.831 1.124
91 2HG LYS 14 1HG LYS 14 -5.285 6.535 2.863
92 1HD LYS 14 2HD LYS 14 -5.005 8.763 3.003
93 2HD LYS 14 1HD LYS 14 -3.330 8.401 2.581
94 1HE LYS 14 2HE LYS 14 -5.501 9.053 0.593
95 2HE LYS 14 1HE LYS 14 -4.330 10.215 1.214
96 1HZ LYS 14 1HZ LYS 14 -2.623 9.253 0.058
97 2HZ LYS 14 2HZ LYS 14 -3.901 8.980 -1.017
98 3HZ LYS 14 3HZ LYS 14 -3.358 7.730 -0.014
99 H LYS 15 H LYS 15 -1.543 5.364 -0.559
100 HA LYS 15 HA LYS 15 -0.424 2.747 -0.401
101 1HB LYS 15 2HB LYS 15 0.869 5.356 -1.214
102 2HB LYS 15 1HB LYS 15 1.542 3.755 -1.483
103 1HG LYS 15 2HG LYS 15 0.491 3.668 -3.425
104 2HG LYS 15 1HG LYS 15 -1.052 3.722 -2.571
105 1HD LYS 15 2HD LYS 15 0.332 6.306 -2.910
106 2HD LYS 15 1HD LYS 15 -0.281 5.558 -4.386
107 1HE LYS 15 2HE LYS 15 -2.422 5.228 -2.820
108 2HE LYS 15 1HE LYS 15 -1.743 6.667 -2.060
109 1HZ LYS 15 1HZ LYS 15 -2.898 6.338 -4.722
110 2HZ LYS 15 2HZ LYS 15 -1.602 7.416 -4.572
111 3HZ LYS 15 3HZ LYS 15 -3.002 7.644 -3.651
112 H TYR 16 H TYR 16 1.829 2.380 0.438
113 HA TYR 16 HA TYR 16 1.967 2.589 3.164
114 1HB TYR 16 2HB TYR 16 3.502 1.417 1.260
115 2HB TYR 16 1HB TYR 16 4.579 2.703 1.789
116 HD1 TYR 16 1HD TYR 16 2.162 0.776 3.858
117 HD2 TYR 16 2HD TYR 16 6.247 1.525 2.922
118 HE1 TYR 16 1HE TYR 16 2.847 -0.587 5.785
119 HE2 TYR 16 2HE TYR 16 6.941 0.161 4.850
120 HH TYR 16 HH TYR 16 4.759 -0.860 7.264
121 H LYS 17 H LYS 17 4.090 4.496 1.023
122 HA LYS 17 HA LYS 17 5.005 6.277 2.930
123 1HB LYS 17 2HB LYS 17 5.590 7.755 1.061
124 2HB LYS 17 1HB LYS 17 6.006 6.083 0.717
125 1HG LYS 17 2HG LYS 17 4.825 6.153 -1.148
126 2HG LYS 17 1HG LYS 17 3.370 6.551 -0.232
127 1HD LYS 17 2HD LYS 17 3.649 8.835 -0.536
128 2HD LYS 17 1HD LYS 17 5.375 8.680 -0.871
129 1HE LYS 17 2HE LYS 17 3.623 7.280 -2.764
130 2HE LYS 17 1HE LYS 17 3.445 9.034 -2.759
131 1HZ LYS 17 1HZ LYS 17 5.156 8.893 -4.195
132 2HZ LYS 17 2HZ LYS 17 5.693 7.399 -3.611
133 3HZ LYS 17 3HZ LYS 17 6.088 8.821 -2.785
134 H GLN 18 H GLN 18 1.916 6.161 1.392
135 HA GLN 18 HA GLN 18 1.257 8.886 2.226
136 1HB GLN 18 2HB GLN 18 -0.532 6.936 0.787
137 2HB GLN 18 1HB GLN 18 -0.706 8.683 0.890
138 1HG GLN 18 2HG GLN 18 1.830 7.887 -0.280
139 2HG GLN 18 1HG GLN 18 0.441 7.276 -1.177
140 1HE2 GLN 18 1HE2 GLN 18 -1.223 8.870 -1.751
141 2HE2 GLN 18 2HE2 GLN 18 -0.721 10.473 -2.154
142 H CYS 19 H CYS 19 1.424 6.117 3.837
143 HA CYS 19 HA CYS 19 -0.775 6.857 5.583
144 1HB CYS 19 2HB CYS 19 -1.428 5.078 3.749
145 2HB CYS 19 1HB CYS 19 -0.619 3.965 4.852
146 HG CYS 19 HG CYS 19 -2.900 3.876 5.813
147 H HIS 20 H HIS 20 1.293 3.961 5.233
148 HA HIS 20 HA HIS 20 2.060 4.285 8.041
149 1HB HIS 20 2HB HIS 20 1.914 1.980 6.163
150 2HB HIS 20 1HB HIS 20 3.127 1.916 7.436
151 HD1 HIS 20 1HD HIS 20 0.702 -0.028 7.349
152 HD2 HIS 20 2HD HIS 20 0.855 3.489 9.553
153 HE1 HIS 20 1HE HIS 20 -0.971 -0.324 9.204
154 HE2 HIS 20 2HE HIS 20 -0.811 1.790 10.566
155 H GLY 21 H GLY 21 3.600 3.537 4.913
156 1HA GLY 21 2HA GLY 21 6.240 3.547 5.601
157 2HA GLY 21 1HA GLY 21 5.648 4.185 4.076
158 H ARG 22 H ARG 22 4.129 6.324 5.486
159 HA ARG 22 HA ARG 22 6.021 8.369 5.323
160 1HB ARG 22 2HB ARG 22 4.312 9.778 6.445
161 2HB ARG 22 1HB ARG 22 3.666 8.845 5.103
162 1HG ARG 22 2HG ARG 22 2.982 7.136 6.903
163 2HG ARG 22 1HG ARG 22 3.241 8.463 8.038
164 1HD ARG 22 2HD ARG 22 1.304 8.345 5.738
165 2HD ARG 22 1HD ARG 22 0.935 8.476 7.457
166 HE ARG 22 HE ARG 22 2.380 10.702 6.988
167 1HH1 ARG 22 1HH1 ARG 22 -0.399 9.314 5.398
168 2HH1 ARG 22 2HH1 ARG 22 -1.028 10.845 4.889
169 1HH2 ARG 22 1HH2 ARG 22 1.554 12.716 6.320
170 2HH2 ARG 22 2HH2 ARG 22 0.081 12.776 5.412
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 11.176 -6.159 1.324
2 2H LYS 1 2HT LYS 1 10.653 -6.172 2.959
3 3H LYS 1 3HT LYS 1 12.216 -5.586 2.561
4 HA LYS 1 HA LYS 1 10.445 -3.914 3.056
5 1HB LYS 1 2HB LYS 1 11.256 -2.527 1.055
6 2HB LYS 1 1HB LYS 1 12.480 -3.170 2.141
7 1HG LYS 1 2HG LYS 1 13.335 -3.556 0.013
8 2HG LYS 1 1HG LYS 1 12.663 -5.116 0.494
9 1HD LYS 1 2HD LYS 1 10.859 -4.928 -0.950
10 2HD LYS 1 1HD LYS 1 10.990 -3.170 -1.045
11 1HE LYS 1 2HE LYS 1 11.719 -4.109 -3.130
12 2HE LYS 1 1HE LYS 1 13.121 -3.452 -2.286
13 1HZ LYS 1 1HZ LYS 1 12.509 -6.264 -1.827
14 2HZ LYS 1 2HZ LYS 1 14.007 -5.493 -1.978
15 3HZ LYS 1 3HZ LYS 1 13.103 -5.859 -3.359
16 H VAL 2 H VAL 2 8.809 -2.597 2.039
17 HA VAL 2 HA VAL 2 7.206 -4.103 0.072
18 HB VAL 2 HB VAL 2 6.123 -3.954 2.282
19 1HG1 VAL 2 1HG1 VAL 2 5.454 -1.874 3.245
20 2HG1 VAL 2 2HG1 VAL 2 6.021 -0.972 1.839
21 3HG1 VAL 2 3HG1 VAL 2 7.181 -1.769 2.903
22 1HG2 VAL 2 1HG2 VAL 2 4.981 -3.548 -0.146
23 2HG2 VAL 2 2HG2 VAL 2 4.421 -2.124 0.733
24 3HG2 VAL 2 3HG2 VAL 2 4.080 -3.739 1.358
25 H GLY 3 H GLY 3 6.226 -2.981 -1.617
26 1HA GLY 3 2HA GLY 3 7.593 -0.759 -2.652
27 2HA GLY 3 1HA GLY 3 6.019 -1.328 -3.202
28 H ARG 4 H ARG 4 7.716 0.955 -1.244
29 HA ARG 4 HA ARG 4 5.824 1.982 0.411
30 1HB ARG 4 2HB ARG 4 8.290 2.712 -0.103
31 2HB ARG 4 1HB ARG 4 7.502 3.911 -1.121
32 1HG ARG 4 2HG ARG 4 6.486 4.960 0.668
33 2HG ARG 4 1HG ARG 4 6.643 3.546 1.714
34 1HD ARG 4 2HD ARG 4 9.252 4.318 0.939
35 2HD ARG 4 1HD ARG 4 8.401 5.779 1.437
36 HE ARG 4 HE ARG 4 8.325 4.981 3.599
37 1HH1 ARG 4 1HH1 ARG 4 9.468 2.468 1.457
38 2HH1 ARG 4 2HH1 ARG 4 9.969 1.428 2.747
39 1HH2 ARG 4 1HH2 ARG 4 8.984 3.610 5.291
40 2HH2 ARG 4 2HH2 ARG 4 9.695 2.074 4.921
41 H ASN 5 H ASN 5 5.923 2.287 -3.054
42 HA ASN 5 HA ASN 5 3.878 4.353 -3.054
43 1HB ASN 5 2HB ASN 5 5.893 4.114 -4.704
44 2HB ASN 5 1HB ASN 5 4.838 2.976 -5.537
45 1HD2 ASN 5 1HD2 ASN 5 4.751 6.226 -4.117
46 2HD2 ASN 5 2HD2 ASN 5 3.793 6.933 -5.369
47 H ASP 6 H ASP 6 3.793 1.126 -2.605
48 HA ASP 6 HA ASP 6 1.436 0.620 -4.255
49 1HB ASP 6 2HB ASP 6 3.097 -1.123 -4.316
50 2HB ASP 6 1HB ASP 6 3.166 -1.191 -2.560
51 HA PRO 7 HA PRO 7 -1.701 1.373 -1.253
52 1HB PRO 7 2HB PRO 7 -2.824 -1.258 -1.412
53 2HB PRO 7 1HB PRO 7 -3.411 0.223 -2.168
54 1HG PRO 7 2HG PRO 7 -1.759 -1.949 -3.308
55 2HG PRO 7 1HG PRO 7 -2.854 -0.819 -4.124
56 1HD PRO 7 2HD PRO 7 -0.191 -0.602 -4.354
57 2HD PRO 7 1HD PRO 7 -1.231 0.836 -4.273
58 H CYS 8 H CYS 8 -1.159 1.482 0.818
59 HA CYS 8 HA CYS 8 0.538 0.020 2.307
60 1HB CYS 8 2HB CYS 8 -0.685 2.086 3.029
61 2HB CYS 8 1HB CYS 8 -2.079 1.074 3.394
62 HG CYS 8 HG CYS 8 -0.183 -0.142 5.080
63 HA PRO 9 HA PRO 9 -0.962 -4.138 2.636
64 1HB PRO 9 2HB PRO 9 0.073 -4.658 5.170
65 2HB PRO 9 1HB PRO 9 0.936 -4.865 3.644
66 1HG PRO 9 2HG PRO 9 1.026 -2.598 5.584
67 2HG PRO 9 1HG PRO 9 2.340 -3.318 4.634
68 1HD PRO 9 2HD PRO 9 1.241 -0.986 3.929
69 2HD PRO 9 1HD PRO 9 1.740 -2.171 2.705
70 H CYS 10 H CYS 10 -1.614 -1.700 5.045
71 HA CYS 10 HA CYS 10 -3.325 -3.119 6.737
72 1HB CYS 10 2HB CYS 10 -4.201 -0.961 7.424
73 2HB CYS 10 1HB CYS 10 -2.457 -0.852 7.216
74 HG CYS 10 HG CYS 10 -4.148 1.090 6.060
75 H GLY 11 H GLY 11 -3.862 -1.741 3.572
76 1HA GLY 11 2HA GLY 11 -5.561 -2.255 2.077
77 2HA GLY 11 1HA GLY 11 -6.341 -3.203 3.333
78 H SER 12 H SER 12 -5.385 0.171 3.633
79 HA SER 12 HA SER 12 -8.146 0.861 4.243
80 1HB SER 12 2HB SER 12 -5.488 2.139 4.703
81 2HB SER 12 1HB SER 12 -6.913 3.178 4.642
82 HG SER 12 HG SER 12 -7.586 2.379 6.484
83 H GLY 13 H GLY 13 -5.666 1.553 1.850
84 1HA GLY 13 2HA GLY 13 -6.799 1.912 -0.414
85 2HA GLY 13 1HA GLY 13 -7.589 3.254 0.399
86 H LYS 14 H LYS 14 -5.057 3.760 1.951
87 HA LYS 14 HA LYS 14 -3.793 5.408 -0.098
88 1HB LYS 14 2HB LYS 14 -3.327 5.394 2.888
89 2HB LYS 14 1HB LYS 14 -2.765 6.606 1.746
90 1HG LYS 14 2HG LYS 14 -5.606 6.314 1.525
91 2HG LYS 14 1HG LYS 14 -5.157 6.589 3.210
92 1HD LYS 14 2HD LYS 14 -3.622 8.352 1.593
93 2HD LYS 14 1HD LYS 14 -5.306 8.469 1.080
94 1HE LYS 14 2HE LYS 14 -4.856 8.437 3.990
95 2HE LYS 14 1HE LYS 14 -4.246 9.857 3.142
96 1HZ LYS 14 1HZ LYS 14 -6.537 9.970 2.099
97 2HZ LYS 14 2HZ LYS 14 -6.430 10.380 3.737
98 3HZ LYS 14 3HZ LYS 14 -7.029 8.865 3.282
99 H LYS 15 H LYS 15 -1.759 5.127 -0.830
100 HA LYS 15 HA LYS 15 -0.460 2.660 -0.507
101 1HB LYS 15 2HB LYS 15 1.488 3.856 -1.625
102 2HB LYS 15 1HB LYS 15 -0.031 3.825 -2.510
103 1HG LYS 15 2HG LYS 15 -0.067 6.155 -0.936
104 2HG LYS 15 1HG LYS 15 1.531 6.065 -1.678
105 1HD LYS 15 2HD LYS 15 0.339 7.179 -3.306
106 2HD LYS 15 1HD LYS 15 0.175 5.506 -3.841
107 1HE LYS 15 2HE LYS 15 -2.018 5.357 -2.857
108 2HE LYS 15 1HE LYS 15 -1.849 6.960 -2.145
109 1HZ LYS 15 1HZ LYS 15 -1.824 7.925 -4.333
110 2HZ LYS 15 2HZ LYS 15 -3.201 6.955 -4.175
111 3HZ LYS 15 3HZ LYS 15 -1.871 6.398 -5.061
112 H TYR 16 H TYR 16 1.820 2.394 0.249
113 HA TYR 16 HA TYR 16 2.108 2.731 2.936
114 1HB TYR 16 2HB TYR 16 3.615 1.613 0.954
115 2HB TYR 16 1HB TYR 16 4.645 2.947 1.460
116 HD1 TYR 16 1HD TYR 16 6.404 1.753 2.467
117 HD2 TYR 16 2HD TYR 16 2.389 0.976 3.656
118 HE1 TYR 16 1HE TYR 16 7.227 0.420 4.363
119 HE2 TYR 16 2HE TYR 16 3.205 -0.357 5.553
120 HH TYR 16 HH TYR 16 6.499 -0.373 6.511
121 H LYS 17 H LYS 17 3.810 4.762 0.540
122 HA LYS 17 HA LYS 17 4.896 6.606 2.280
123 1HB LYS 17 2HB LYS 17 4.962 8.159 0.355
124 2HB LYS 17 1HB LYS 17 5.524 6.544 -0.053
125 1HG LYS 17 2HG LYS 17 3.702 6.090 -1.372
126 2HG LYS 17 1HG LYS 17 2.670 7.249 -0.531
127 1HD LYS 17 2HD LYS 17 4.243 9.037 -1.502
128 2HD LYS 17 1HD LYS 17 4.791 7.762 -2.593
129 1HE LYS 17 2HE LYS 17 2.855 7.747 -3.764
130 2HE LYS 17 1HE LYS 17 1.869 8.092 -2.343
131 1HZ LYS 17 1HZ LYS 17 3.587 10.120 -3.655
132 2HZ LYS 17 2HZ LYS 17 2.396 10.380 -2.484
133 3HZ LYS 17 3HZ LYS 17 1.956 9.898 -4.044
134 H GLN 18 H GLN 18 1.620 6.417 1.062
135 HA GLN 18 HA GLN 18 0.916 9.013 2.176
136 1HB GLN 18 2HB GLN 18 -0.735 6.918 0.763
137 2HB GLN 18 1HB GLN 18 -1.359 8.464 1.317
138 1HG GLN 18 2HG GLN 18 1.022 8.578 -0.419
139 2HG GLN 18 1HG GLN 18 -0.472 8.027 -1.174
140 1HE2 GLN 18 1HE2 GLN 18 0.673 10.579 1.012
141 2HE2 GLN 18 2HE2 GLN 18 -0.273 11.841 0.310
142 H CYS 19 H CYS 19 1.461 6.141 3.562
143 HA CYS 19 HA CYS 19 -0.387 6.715 5.721
144 1HB CYS 19 2HB CYS 19 -1.479 5.164 4.000
145 2HB CYS 19 1HB CYS 19 -0.341 3.938 4.550
146 HG CYS 19 HG CYS 19 -2.654 3.784 5.842
147 H HIS 20 H HIS 20 0.544 3.536 6.065
148 HA HIS 20 HA HIS 20 2.203 3.949 8.224
149 1HB HIS 20 2HB HIS 20 1.791 1.640 6.367
150 2HB HIS 20 1HB HIS 20 3.079 1.560 7.564
151 HD1 HIS 20 1HD HIS 20 0.289 -0.106 7.431
152 HD2 HIS 20 2HD HIS 20 1.292 2.986 10.018
153 HE1 HIS 20 1HE HIS 20 -1.193 -0.403 9.440
154 HE2 HIS 20 2HE HIS 20 -0.644 1.544 10.943
155 H GLY 21 H GLY 21 3.101 3.498 4.826
156 1HA GLY 21 2HA GLY 21 5.872 3.353 5.141
157 2HA GLY 21 1HA GLY 21 5.053 3.949 3.705
158 H ARG 22 H ARG 22 3.742 6.109 5.279
159 HA ARG 22 HA ARG 22 5.593 8.153 4.796
160 1HB ARG 22 2HB ARG 22 2.939 8.096 5.266
161 2HB ARG 22 1HB ARG 22 3.503 8.658 6.833
162 1HG ARG 22 2HG ARG 22 4.907 10.212 5.026
163 2HG ARG 22 1HG ARG 22 3.296 10.075 4.318
164 1HD ARG 22 2HD ARG 22 2.459 10.649 6.695
165 2HD ARG 22 1HD ARG 22 4.107 11.216 6.967
166 HE ARG 22 HE ARG 22 3.356 12.443 4.656
167 1HH1 ARG 22 1HH1 ARG 22 2.013 12.272 7.872
168 2HH1 ARG 22 2HH1 ARG 22 1.284 13.841 7.786
169 1HH2 ARG 22 1HH2 ARG 22 2.399 14.505 4.541
170 2HH2 ARG 22 2HH2 ARG 22 1.503 15.108 5.894
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 9.589 -2.765 4.293
2 2H LYS 1 2HT LYS 1 10.524 -1.514 3.583
3 3H LYS 1 3HT LYS 1 11.226 -2.553 4.755
4 HA LYS 1 HA LYS 1 11.793 -2.962 2.373
5 1HB LYS 1 2HB LYS 1 10.654 -5.048 4.234
6 2HB LYS 1 1HB LYS 1 11.521 -5.464 2.764
7 1HG LYS 1 2HG LYS 1 13.064 -3.585 4.265
8 2HG LYS 1 1HG LYS 1 12.577 -4.920 5.313
9 1HD LYS 1 2HD LYS 1 13.835 -5.304 2.600
10 2HD LYS 1 1HD LYS 1 14.759 -5.242 4.102
11 1HE LYS 1 2HE LYS 1 12.539 -7.197 3.510
12 2HE LYS 1 1HE LYS 1 14.262 -7.549 3.370
13 1HZ LYS 1 1HZ LYS 1 14.441 -6.953 5.773
14 2HZ LYS 1 2HZ LYS 1 13.538 -8.350 5.462
15 3HZ LYS 1 3HZ LYS 1 12.750 -6.901 5.837
16 H VAL 2 H VAL 2 9.073 -1.841 2.263
17 HA VAL 2 HA VAL 2 7.915 -3.725 0.311
18 HB VAL 2 HB VAL 2 6.503 -3.586 2.330
19 1HG1 VAL 2 1HG1 VAL 2 6.479 -0.649 1.667
20 2HG1 VAL 2 2HG1 VAL 2 6.947 -1.424 3.181
21 3HG1 VAL 2 3HG1 VAL 2 5.255 -1.409 2.685
22 1HG2 VAL 2 1HG2 VAL 2 5.605 -3.834 -0.052
23 2HG2 VAL 2 2HG2 VAL 2 5.097 -2.150 0.095
24 3HG2 VAL 2 3HG2 VAL 2 4.455 -3.365 1.202
25 H GLY 3 H GLY 3 6.912 -2.810 -1.524
26 1HA GLY 3 2HA GLY 3 8.148 -0.418 -2.471
27 2HA GLY 3 1HA GLY 3 6.895 -1.337 -3.298
28 H ARG 4 H ARG 4 7.475 1.029 -0.758
29 HA ARG 4 HA ARG 4 5.100 1.734 0.182
30 1HB ARG 4 2HB ARG 4 5.960 4.241 -0.242
31 2HB ARG 4 1HB ARG 4 6.596 3.192 1.012
32 1HG ARG 4 2HG ARG 4 8.211 2.529 -1.054
33 2HG ARG 4 1HG ARG 4 7.868 4.217 -1.427
34 1HD ARG 4 2HD ARG 4 8.511 3.624 1.384
35 2HD ARG 4 1HD ARG 4 9.829 3.398 0.239
36 HE ARG 4 HE ARG 4 8.420 5.920 0.782
37 1HH1 ARG 4 1HH1 ARG 4 11.116 4.211 -0.667
38 2HH1 ARG 4 2HH1 ARG 4 12.005 5.657 -0.999
39 1HH2 ARG 4 1HH2 ARG 4 9.599 7.810 0.338
40 2HH2 ARG 4 2HH2 ARG 4 11.148 7.694 -0.431
41 H ASN 5 H ASN 5 6.024 2.279 -3.149
42 HA ASN 5 HA ASN 5 3.962 4.089 -3.815
43 1HB ASN 5 2HB ASN 5 5.994 3.678 -5.197
44 2HB ASN 5 1HB ASN 5 5.331 2.107 -5.642
45 1HD2 ASN 5 1HD2 ASN 5 5.228 2.594 -7.809
46 2HD2 ASN 5 2HD2 ASN 5 4.084 3.713 -8.463
47 H ASP 6 H ASP 6 3.698 0.919 -2.830
48 HA ASP 6 HA ASP 6 1.331 0.368 -4.461
49 1HB ASP 6 2HB ASP 6 2.920 -1.447 -4.406
50 2HB ASP 6 1HB ASP 6 3.000 -1.391 -2.650
51 HA PRO 7 HA PRO 7 -1.632 1.485 -1.390
52 1HB PRO 7 2HB PRO 7 -3.126 -0.914 -1.483
53 2HB PRO 7 1HB PRO 7 -3.435 0.562 -2.400
54 1HG PRO 7 2HG PRO 7 -2.017 -1.920 -3.228
55 2HG PRO 7 1HG PRO 7 -3.022 -0.821 -4.191
56 1HD PRO 7 2HD PRO 7 -0.364 -0.808 -4.434
57 2HD PRO 7 1HD PRO 7 -1.287 0.711 -4.474
58 H CYS 8 H CYS 8 -1.160 1.500 0.696
59 HA CYS 8 HA CYS 8 0.434 -0.066 2.174
60 1HB CYS 8 2HB CYS 8 -0.822 2.028 2.894
61 2HB CYS 8 1HB CYS 8 -2.157 0.965 3.324
62 HG CYS 8 HG CYS 8 -0.958 1.055 5.498
63 HA PRO 9 HA PRO 9 -1.308 -4.149 2.325
64 1HB PRO 9 2HB PRO 9 -0.076 -4.975 4.648
65 2HB PRO 9 1HB PRO 9 0.684 -4.983 3.053
66 1HG PRO 9 2HG PRO 9 0.911 -2.964 5.250
67 2HG PRO 9 1HG PRO 9 2.176 -3.614 4.189
68 1HD PRO 9 2HD PRO 9 1.109 -1.195 3.765
69 2HD PRO 9 1HD PRO 9 1.555 -2.256 2.412
70 H CYS 10 H CYS 10 -1.611 -1.829 4.896
71 HA CYS 10 HA CYS 10 -3.195 -3.256 6.699
72 1HB CYS 10 2HB CYS 10 -3.890 -1.114 7.571
73 2HB CYS 10 1HB CYS 10 -2.187 -1.018 7.134
74 HG CYS 10 HG CYS 10 -4.483 0.379 5.578
75 H GLY 11 H GLY 11 -4.006 -1.682 3.678
76 1HA GLY 11 2HA GLY 11 -5.857 -2.197 2.337
77 2HA GLY 11 1HA GLY 11 -6.595 -3.012 3.707
78 H SER 12 H SER 12 -5.305 0.262 3.733
79 HA SER 12 HA SER 12 -7.910 1.246 4.582
80 1HB SER 12 2HB SER 12 -6.764 3.252 5.249
81 2HB SER 12 1HB SER 12 -5.790 1.880 5.778
82 HG SER 12 HG SER 12 -4.537 2.201 3.838
83 H GLY 13 H GLY 13 -5.592 1.697 1.955
84 1HA GLY 13 2HA GLY 13 -6.868 2.017 -0.235
85 2HA GLY 13 1HA GLY 13 -7.565 3.409 0.581
86 H LYS 14 H LYS 14 -4.977 3.963 1.946
87 HA LYS 14 HA LYS 14 -3.756 5.419 -0.274
88 1HB LYS 14 2HB LYS 14 -3.427 5.685 2.718
89 2HB LYS 14 1HB LYS 14 -2.575 6.670 1.536
90 1HG LYS 14 2HG LYS 14 -4.262 8.100 1.641
91 2HG LYS 14 1HG LYS 14 -5.257 6.888 0.831
92 1HD LYS 14 2HD LYS 14 -5.893 5.963 3.010
93 2HD LYS 14 1HD LYS 14 -4.906 7.185 3.815
94 1HE LYS 14 2HE LYS 14 -6.783 8.400 3.883
95 2HE LYS 14 1HE LYS 14 -6.489 8.698 2.170
96 1HZ LYS 14 1HZ LYS 14 -7.767 6.366 2.062
97 2HZ LYS 14 2HZ LYS 14 -8.551 7.862 1.976
98 3HZ LYS 14 3HZ LYS 14 -8.488 7.025 3.444
99 H LYS 15 H LYS 15 -1.595 5.265 -0.815
100 HA LYS 15 HA LYS 15 -0.361 2.767 -0.545
101 1HB LYS 15 2HB LYS 15 0.610 5.458 -1.462
102 2HB LYS 15 1HB LYS 15 1.715 4.096 -1.354
103 1HG LYS 15 2HG LYS 15 1.011 3.300 -3.294
104 2HG LYS 15 1HG LYS 15 -0.666 3.307 -2.742
105 1HD LYS 15 2HD LYS 15 0.583 5.890 -3.539
106 2HD LYS 15 1HD LYS 15 0.107 4.759 -4.806
107 1HE LYS 15 2HE LYS 15 -2.064 4.797 -3.087
108 2HE LYS 15 1HE LYS 15 -1.529 6.476 -3.133
109 1HZ LYS 15 1HZ LYS 15 -1.448 5.873 -5.717
110 2HZ LYS 15 2HZ LYS 15 -2.820 6.510 -4.959
111 3HZ LYS 15 3HZ LYS 15 -2.702 4.845 -5.231
112 H TYR 16 H TYR 16 1.816 2.366 0.391
113 HA TYR 16 HA TYR 16 1.892 2.560 3.112
114 1HB TYR 16 2HB TYR 16 3.475 1.409 1.252
115 2HB TYR 16 1HB TYR 16 4.534 2.706 1.789
116 HD1 TYR 16 1HD TYR 16 2.108 0.718 3.793
117 HD2 TYR 16 2HD TYR 16 6.194 1.596 2.991
118 HE1 TYR 16 1HE TYR 16 2.776 -0.637 5.736
119 HE2 TYR 16 2HE TYR 16 6.871 0.245 4.931
120 HH TYR 16 HH TYR 16 4.926 -0.617 7.341
121 H LYS 17 H LYS 17 3.987 4.539 1.011
122 HA LYS 17 HA LYS 17 4.906 6.291 2.943
123 1HB LYS 17 2HB LYS 17 5.533 7.762 1.138
124 2HB LYS 17 1HB LYS 17 5.791 6.099 0.630
125 1HG LYS 17 2HG LYS 17 3.192 6.690 -0.172
126 2HG LYS 17 1HG LYS 17 4.126 8.142 -0.536
127 1HD LYS 17 2HD LYS 17 4.789 5.331 -1.414
128 2HD LYS 17 1HD LYS 17 4.123 6.609 -2.432
129 1HE LYS 17 2HE LYS 17 6.301 7.856 -1.428
130 2HE LYS 17 1HE LYS 17 6.874 6.189 -1.470
131 1HZ LYS 17 1HZ LYS 17 5.767 6.378 -3.874
132 2HZ LYS 17 2HZ LYS 17 7.389 6.749 -3.576
133 3HZ LYS 17 3HZ LYS 17 6.241 7.987 -3.663
134 H GLN 18 H GLN 18 1.822 6.197 1.362
135 HA GLN 18 HA GLN 18 1.111 8.871 2.290
136 1HB GLN 18 2HB GLN 18 -0.704 6.949 0.854
137 2HB GLN 18 1HB GLN 18 -0.812 8.704 0.927
138 1HG GLN 18 2HG GLN 18 1.257 8.854 -0.411
139 2HG GLN 18 1HG GLN 18 1.265 7.096 -0.543
140 1HE2 GLN 18 1HE2 GLN 18 1.294 8.093 -2.865
141 2HE2 GLN 18 2HE2 GLN 18 -0.253 8.169 -3.631
142 H CYS 19 H CYS 19 1.295 6.015 3.797
143 HA CYS 19 HA CYS 19 -0.852 6.723 5.619
144 1HB CYS 19 2HB CYS 19 -1.578 5.016 3.739
145 2HB CYS 19 1HB CYS 19 -0.763 3.858 4.787
146 HG CYS 19 HG CYS 19 -2.909 3.765 5.962
147 H HIS 20 H HIS 20 1.149 3.808 5.108
148 HA HIS 20 HA HIS 20 1.987 3.999 7.906
149 1HB HIS 20 2HB HIS 20 1.977 1.757 5.902
150 2HB HIS 20 1HB HIS 20 2.916 1.650 7.387
151 HD1 HIS 20 1HD HIS 20 1.551 -0.136 8.539
152 HD2 HIS 20 2HD HIS 20 -0.740 3.097 7.289
153 HE1 HIS 20 1HE HIS 20 -0.717 -0.480 9.571
154 HE2 HIS 20 2HE HIS 20 -2.111 1.441 8.727
155 H GLY 21 H GLY 21 3.511 3.139 4.788
156 1HA GLY 21 2HA GLY 21 6.148 3.242 5.526
157 2HA GLY 21 1HA GLY 21 5.574 3.702 3.931
158 H ARG 22 H ARG 22 3.984 5.938 5.100
159 HA ARG 22 HA ARG 22 4.226 8.176 5.424
160 1HB ARG 22 2HB ARG 22 6.373 7.022 7.160
161 2HB ARG 22 1HB ARG 22 6.280 8.766 6.952
162 1HG ARG 22 2HG ARG 22 3.906 7.143 7.803
163 2HG ARG 22 1HG ARG 22 5.091 7.755 8.960
164 1HD ARG 22 2HD ARG 22 4.672 10.033 7.791
165 2HD ARG 22 1HD ARG 22 3.194 9.270 7.208
166 HE ARG 22 HE ARG 22 3.117 8.792 9.865
167 1HH1 ARG 22 1HH1 ARG 22 3.584 11.695 7.985
168 2HH1 ARG 22 2HH1 ARG 22 2.868 12.730 9.175
169 1HH2 ARG 22 1HH2 ARG 22 2.175 10.151 11.430
170 2HH2 ARG 22 2HH2 ARG 22 2.069 11.854 11.131
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