NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
611819 |
2na3   |
25926 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 H LYS 1 1.806 0.000 0.856
2 HA LYS 1 HA LYS 1 1.415 -0.224 -2.050
3 HB2 LYS 1 HB2 LYS 1 2.688 1.936 -0.558
4 HB3 LYS 1 HB3 LYS 1 3.751 1.241 -1.774
5 HG2 LYS 1 HG2 LYS 1 2.604 3.064 -2.773
6 HG3 LYS 1 HG3 LYS 1 1.930 1.579 -3.448
7 HD2 LYS 1 HD2 LYS 1 0.003 2.733 -2.986
8 HD3 LYS 1 HD3 LYS 1 0.213 1.851 -1.471
9 HE2 LYS 1 HE2 LYS 1 -0.141 3.948 -0.644
10 HE3 LYS 1 HE3 LYS 1 1.611 4.000 -0.830
11 HZ1 LYS 1 HZ1 LYS 1 0.313 5.957 -1.721
12 HZ2 LYS 1 HZ2 LYS 1 -0.223 4.934 -2.956
13 HZ3 LYS 1 HZ3 LYS 1 1.428 5.256 -2.783
14 H ARG 2 H ARG 2 2.339 -2.026 -2.745
15 HA ARG 2 HA ARG 2 4.439 -3.292 -1.187
16 HB2 ARG 2 HB2 ARG 2 2.638 -4.128 -3.414
17 HB3 ARG 2 HB3 ARG 2 4.154 -4.993 -3.202
18 HG2 ARG 2 HG2 ARG 2 2.243 -4.590 -0.928
19 HG3 ARG 2 HG3 ARG 2 2.077 -5.932 -2.063
20 HD2 ARG 2 HD2 ARG 2 3.365 -6.928 -0.458
21 HD3 ARG 2 HD3 ARG 2 4.628 -6.276 -1.501
22 HE ARG 2 HE ARG 2 5.247 -4.876 0.196
23 HH11 ARG 2 HH11 ARG 2 2.052 -6.096 0.846
24 HH12 ARG 2 HH12 ARG 2 1.972 -5.411 2.435
25 HH21 ARG 2 HH21 ARG 2 5.154 -3.968 2.286
26 HH22 ARG 2 HH22 ARG 2 3.737 -4.200 3.253
27 H ILE 3 H ILE 3 6.491 -2.788 -1.534
28 HA ILE 3 HA ILE 3 7.301 -1.764 -4.155
29 HB ILE 3 HB ILE 3 9.521 -1.393 -2.807
30 HG12 ILE 3 HG12 ILE 3 9.139 -0.979 -0.427
31 HG13 ILE 3 HG13 ILE 3 7.460 -1.482 -0.592
32 HG21 ILE 3 HG21 ILE 3 8.141 0.701 -1.757
33 HG22 ILE 3 HG22 ILE 3 8.707 0.604 -3.423
34 HG23 ILE 3 HG23 ILE 3 7.046 0.161 -3.029
35 HD11 ILE 3 HD11 ILE 3 9.572 -3.400 -1.395
36 HD12 ILE 3 HD12 ILE 3 9.316 -3.105 0.325
37 HD13 ILE 3 HD13 ILE 3 7.988 -3.690 -0.678
38 H VAL 4 H VAL 4 7.170 -4.663 -2.589
39 HA VAL 4 HA VAL 4 9.652 -5.858 -2.988
40 HB VAL 4 HB VAL 4 8.520 -7.993 -2.945
41 HG11 VAL 4 HG11 VAL 4 7.188 -5.990 -1.125
42 HG12 VAL 4 HG12 VAL 4 7.209 -7.737 -0.880
43 HG13 VAL 4 HG13 VAL 4 8.715 -6.820 -0.829
44 HG21 VAL 4 HG21 VAL 4 6.737 -7.673 -4.482
45 HG22 VAL 4 HG22 VAL 4 6.002 -8.042 -2.921
46 HG23 VAL 4 HG23 VAL 4 6.040 -6.379 -3.507
47 H GLN 5 H GLN 5 7.100 -5.136 -5.257
48 HA GLN 5 HA GLN 5 7.932 -6.828 -7.357
49 HB2 GLN 5 HB2 GLN 5 6.531 -5.451 -8.790
50 HB3 GLN 5 HB3 GLN 5 5.709 -5.771 -7.269
51 HG2 GLN 5 HG2 GLN 5 6.225 -3.562 -6.469
52 HG3 GLN 5 HG3 GLN 5 7.197 -3.234 -7.903
53 HE21 GLN 5 HE21 GLN 5 3.929 -3.969 -6.809
54 HE22 GLN 5 HE22 GLN 5 3.119 -3.148 -8.095
55 H ARG 6 H ARG 6 9.092 -3.781 -6.196
56 HA ARG 6 HA ARG 6 10.476 -3.017 -8.577
57 HB2 ARG 6 HB2 ARG 6 10.827 -2.119 -5.712
58 HB3 ARG 6 HB3 ARG 6 11.602 -1.369 -7.100
59 HG2 ARG 6 HG2 ARG 6 8.622 -1.574 -6.739
60 HG3 ARG 6 HG3 ARG 6 9.589 -0.172 -6.279
61 HD2 ARG 6 HD2 ARG 6 10.368 -0.016 -8.636
62 HD3 ARG 6 HD3 ARG 6 9.252 -1.317 -9.047
63 HE ARG 6 HE ARG 6 7.760 0.640 -7.779
64 HH11 ARG 6 HH11 ARG 6 9.686 0.337 -10.663
65 HH12 ARG 6 HH12 ARG 6 8.771 1.508 -11.554
66 HH21 ARG 6 HH21 ARG 6 6.548 2.184 -8.941
67 HH22 ARG 6 HH22 ARG 6 6.987 2.559 -10.573
68 H ILE 7 H ILE 7 11.320 -4.777 -5.646
69 HA ILE 7 HA ILE 7 14.113 -4.954 -6.318
70 HB ILE 7 HB ILE 7 12.523 -6.472 -4.246
71 HG12 ILE 7 HG12 ILE 7 13.984 -4.806 -2.788
72 HG13 ILE 7 HG13 ILE 7 13.933 -3.839 -4.258
73 HG21 ILE 7 HG21 ILE 7 14.917 -6.663 -3.256
74 HG22 ILE 7 HG22 ILE 7 14.413 -7.767 -4.535
75 HG23 ILE 7 HG23 ILE 7 15.432 -6.380 -4.918
76 HD11 ILE 7 HD11 ILE 7 12.075 -3.798 -2.267
77 HD12 ILE 7 HD12 ILE 7 11.813 -3.246 -3.922
78 HD13 ILE 7 HD13 ILE 7 11.331 -4.875 -3.448
79 H LYS 8 H LYS 8 11.474 -7.343 -6.073
80 HA LYS 8 HA LYS 8 12.814 -9.554 -7.037
81 HB2 LYS 8 HB2 LYS 8 10.694 -10.529 -7.466
82 HB3 LYS 8 HB3 LYS 8 10.468 -9.454 -6.093
83 HG2 LYS 8 HG2 LYS 8 8.657 -8.832 -7.285
84 HG3 LYS 8 HG3 LYS 8 9.831 -7.759 -8.051
85 HD2 LYS 8 HD2 LYS 8 8.931 -8.687 -9.925
86 HD3 LYS 8 HD3 LYS 8 10.180 -9.892 -9.602
87 HE2 LYS 8 HE2 LYS 8 8.089 -11.002 -10.073
88 HE3 LYS 8 HE3 LYS 8 8.514 -11.242 -8.379
89 HZ1 LYS 8 HZ1 LYS 8 6.770 -8.994 -9.103
90 HZ2 LYS 8 HZ2 LYS 8 6.828 -9.890 -7.670
91 HZ3 LYS 8 HZ3 LYS 8 6.111 -10.552 -9.052
92 H ASP 9 H ASP 9 11.541 -6.817 -8.782
93 HA ASP 9 HA ASP 9 11.947 -8.083 -11.366
94 HB2 ASP 9 HB2 ASP 9 10.043 -6.458 -10.794
95 HB3 ASP 9 HB3 ASP 9 11.258 -5.187 -10.902
96 H PHE 10 H PHE 10 13.555 -5.868 -9.224
97 HA PHE 10 HA PHE 10 15.321 -4.673 -11.062
98 HB2 PHE 10 HB2 PHE 10 14.973 -4.752 -8.195
99 HB3 PHE 10 HB3 PHE 10 16.680 -4.865 -8.610
100 HD1 PHE 10 HD1 PHE 10 17.636 -2.810 -8.211
101 HD2 PHE 10 HD2 PHE 10 13.876 -2.995 -10.197
102 HE1 PHE 10 HE1 PHE 10 17.710 -0.377 -8.570
103 HE2 PHE 10 HE2 PHE 10 13.944 -0.562 -10.560
104 HZ PHE 10 HZ PHE 10 15.863 0.750 -9.747
105 H LEU 11 H LEU 11 15.491 -7.667 -9.218
106 HA LEU 11 HA LEU 11 18.195 -8.262 -9.887
107 HB2 LEU 11 HB2 LEU 11 15.934 -9.679 -8.605
108 HB3 LEU 11 HB3 LEU 11 17.207 -10.678 -9.303
109 HG LEU 11 HG LEU 11 18.701 -8.974 -7.849
110 HD11 LEU 11 HD11 LEU 11 17.714 -8.307 -5.865
111 HD12 LEU 11 HD12 LEU 11 16.358 -9.420 -6.044
112 HD13 LEU 11 HD13 LEU 11 16.453 -7.977 -7.053
113 HD21 LEU 11 HD21 LEU 11 19.200 -10.800 -6.596
114 HD22 LEU 11 HD22 LEU 11 18.284 -11.604 -7.871
115 HD23 LEU 11 HD23 LEU 11 17.508 -11.223 -6.334
116 H ARG 12 H ARG 12 18.674 -10.433 -11.028
117 HA ARG 12 HA ARG 12 17.293 -10.360 -13.617
118 HB2 ARG 12 HB2 ARG 12 20.018 -11.399 -12.830
119 HB3 ARG 12 HB3 ARG 12 19.321 -11.602 -14.431
120 HG2 ARG 12 HG2 ARG 12 19.115 -9.071 -14.496
121 HG3 ARG 12 HG3 ARG 12 20.162 -9.062 -13.076
122 HD2 ARG 12 HD2 ARG 12 21.893 -10.226 -14.309
123 HD3 ARG 12 HD3 ARG 12 20.839 -10.349 -15.717
124 HE ARG 12 HE ARG 12 21.274 -7.647 -14.855
125 HH11 ARG 12 HH11 ARG 12 22.539 -10.270 -16.763
126 HH12 ARG 12 HH12 ARG 12 23.448 -9.238 -17.817
127 HH21 ARG 12 HH21 ARG 12 22.466 -6.278 -16.235
128 HH22 ARG 12 HH22 ARG 12 23.407 -6.967 -17.514
Start of MODEL 2
1 H1 LYS 1 H LYS 1 2.917 0.704 1.402
2 HA LYS 1 HA LYS 1 1.655 -0.237 -1.080
3 HB2 LYS 1 HB2 LYS 1 3.768 1.903 -0.814
4 HB3 LYS 1 HB3 LYS 1 3.386 1.105 -2.334
5 HG2 LYS 1 HG2 LYS 1 0.928 1.951 -1.368
6 HG3 LYS 1 HG3 LYS 1 2.033 3.276 -0.994
7 HD2 LYS 1 HD2 LYS 1 2.581 3.613 -3.232
8 HD3 LYS 1 HD3 LYS 1 2.035 2.003 -3.707
9 HE2 LYS 1 HE2 LYS 1 -0.298 2.758 -3.081
10 HE3 LYS 1 HE3 LYS 1 0.358 4.390 -2.968
11 HZ1 LYS 1 HZ1 LYS 1 -0.666 3.845 -5.145
12 HZ2 LYS 1 HZ2 LYS 1 0.554 2.701 -5.399
13 HZ3 LYS 1 HZ3 LYS 1 0.948 4.340 -5.258
14 H ARG 2 H ARG 2 2.699 -1.865 -2.118
15 HA ARG 2 HA ARG 2 4.912 -3.104 -0.703
16 HB2 ARG 2 HB2 ARG 2 3.254 -4.023 -3.056
17 HB3 ARG 2 HB3 ARG 2 4.547 -4.968 -2.330
18 HG2 ARG 2 HG2 ARG 2 2.308 -3.977 -0.626
19 HG3 ARG 2 HG3 ARG 2 2.075 -5.394 -1.653
20 HD2 ARG 2 HD2 ARG 2 4.403 -6.067 -0.535
21 HD3 ARG 2 HD3 ARG 2 3.772 -5.038 0.750
22 HE ARG 2 HE ARG 2 1.814 -6.903 -0.102
23 HH11 ARG 2 HH11 ARG 2 4.740 -6.638 1.766
24 HH12 ARG 2 HH12 ARG 2 4.356 -7.975 2.799
25 HH21 ARG 2 HH21 ARG 2 1.298 -8.665 1.252
26 HH22 ARG 2 HH22 ARG 2 2.398 -9.127 2.505
27 H ILE 3 H ILE 3 6.931 -2.583 -1.192
28 HA ILE 3 HA ILE 3 7.550 -1.565 -3.867
29 HB ILE 3 HB ILE 3 9.853 -1.167 -2.677
30 HG12 ILE 3 HG12 ILE 3 9.632 -0.744 -0.278
31 HG13 ILE 3 HG13 ILE 3 7.951 -1.262 -0.325
32 HG21 ILE 3 HG21 ILE 3 9.251 1.024 -2.444
33 HG22 ILE 3 HG22 ILE 3 7.899 0.441 -3.413
34 HG23 ILE 3 HG23 ILE 3 7.715 0.635 -1.670
35 HD11 ILE 3 HD11 ILE 3 8.491 -3.466 -0.433
36 HD12 ILE 3 HD12 ILE 3 10.019 -3.167 -1.262
37 HD13 ILE 3 HD13 ILE 3 9.882 -2.864 0.469
38 H VAL 4 H VAL 4 7.553 -4.458 -2.285
39 HA VAL 4 HA VAL 4 10.016 -5.626 -2.860
40 HB VAL 4 HB VAL 4 8.919 -7.774 -2.702
41 HG11 VAL 4 HG11 VAL 4 9.246 -6.393 -0.650
42 HG12 VAL 4 HG12 VAL 4 7.564 -5.878 -0.791
43 HG13 VAL 4 HG13 VAL 4 7.947 -7.579 -0.524
44 HG21 VAL 4 HG21 VAL 4 6.464 -6.173 -3.286
45 HG22 VAL 4 HG22 VAL 4 7.006 -7.694 -3.997
46 HG23 VAL 4 HG23 VAL 4 6.338 -7.672 -2.365
47 H GLN 5 H GLN 5 7.281 -4.962 -4.923
48 HA GLN 5 HA GLN 5 7.985 -6.665 -7.067
49 HB2 GLN 5 HB2 GLN 5 6.486 -5.194 -8.414
50 HB3 GLN 5 HB3 GLN 5 5.749 -5.797 -6.935
51 HG2 GLN 5 HG2 GLN 5 5.900 -3.714 -5.877
52 HG3 GLN 5 HG3 GLN 5 7.047 -3.099 -7.066
53 HE21 GLN 5 HE21 GLN 5 6.280 -2.588 -9.167
54 HE22 GLN 5 HE22 GLN 5 4.618 -2.197 -9.429
55 H ARG 6 H ARG 6 9.129 -3.566 -6.035
56 HA ARG 6 HA ARG 6 10.262 -2.747 -8.517
57 HB2 ARG 6 HB2 ARG 6 10.927 -1.905 -5.690
58 HB3 ARG 6 HB3 ARG 6 11.498 -1.100 -7.145
59 HG2 ARG 6 HG2 ARG 6 8.569 -1.449 -6.748
60 HG3 ARG 6 HG3 ARG 6 9.421 -0.201 -5.836
61 HD2 ARG 6 HD2 ARG 6 9.925 1.018 -7.710
62 HD3 ARG 6 HD3 ARG 6 9.900 -0.394 -8.766
63 HE ARG 6 HE ARG 6 7.309 -0.089 -7.942
64 HH11 ARG 6 HH11 ARG 6 9.652 1.918 -9.556
65 HH12 ARG 6 HH12 ARG 6 8.466 2.809 -10.450
66 HH21 ARG 6 HH21 ARG 6 5.738 1.078 -9.114
67 HH22 ARG 6 HH22 ARG 6 6.240 2.331 -10.198
68 H ILE 7 H ILE 7 11.421 -4.598 -5.764
69 HA ILE 7 HA ILE 7 14.139 -4.688 -6.714
70 HB ILE 7 HB ILE 7 12.793 -6.307 -4.549
71 HG12 ILE 7 HG12 ILE 7 14.362 -4.667 -3.182
72 HG13 ILE 7 HG13 ILE 7 14.160 -3.651 -4.605
73 HG21 ILE 7 HG21 ILE 7 14.733 -7.474 -5.318
74 HG22 ILE 7 HG22 ILE 7 15.693 -5.996 -5.297
75 HG23 ILE 7 HG23 ILE 7 15.134 -6.705 -3.783
76 HD11 ILE 7 HD11 ILE 7 12.498 -3.710 -2.446
77 HD12 ILE 7 HD12 ILE 7 12.076 -3.099 -4.046
78 HD13 ILE 7 HD13 ILE 7 11.658 -4.752 -3.594
79 H LYS 8 H LYS 8 11.599 -7.155 -6.263
80 HA LYS 8 HA LYS 8 12.874 -9.290 -7.460
81 HB2 LYS 8 HB2 LYS 8 10.744 -10.313 -7.674
82 HB3 LYS 8 HB3 LYS 8 10.653 -9.293 -6.244
83 HG2 LYS 8 HG2 LYS 8 8.702 -8.676 -7.188
84 HG3 LYS 8 HG3 LYS 8 9.749 -7.555 -8.061
85 HD2 LYS 8 HD2 LYS 8 8.651 -8.457 -9.838
86 HD3 LYS 8 HD3 LYS 8 9.950 -9.644 -9.700
87 HE2 LYS 8 HE2 LYS 8 7.394 -10.026 -8.194
88 HE3 LYS 8 HE3 LYS 8 7.483 -10.445 -9.904
89 HZ1 LYS 8 HZ1 LYS 8 9.532 -11.776 -9.239
90 HZ2 LYS 8 HZ2 LYS 8 8.024 -12.400 -8.796
91 HZ3 LYS 8 HZ3 LYS 8 8.985 -11.615 -7.646
92 H ASP 9 H ASP 9 11.320 -6.540 -8.941
93 HA ASP 9 HA ASP 9 11.434 -7.700 -11.599
94 HB2 ASP 9 HB2 ASP 9 9.570 -6.186 -10.847
95 HB3 ASP 9 HB3 ASP 9 10.732 -4.863 -10.830
96 H PHE 10 H PHE 10 13.249 -5.489 -9.605
97 HA PHE 10 HA PHE 10 14.767 -4.203 -11.572
98 HB2 PHE 10 HB2 PHE 10 14.796 -4.445 -8.704
99 HB3 PHE 10 HB3 PHE 10 16.438 -4.567 -9.328
100 HD1 PHE 10 HD1 PHE 10 17.487 -2.556 -8.934
101 HD2 PHE 10 HD2 PHE 10 13.514 -2.556 -10.462
102 HE1 PHE 10 HE1 PHE 10 17.579 -0.108 -9.166
103 HE2 PHE 10 HE2 PHE 10 13.600 -0.109 -10.697
104 HZ PHE 10 HZ PHE 10 15.634 1.118 -10.049
105 H LEU 11 H LEU 11 15.311 -7.252 -9.859
106 HA LEU 11 HA LEU 11 17.863 -7.800 -10.900
107 HB2 LEU 11 HB2 LEU 11 15.723 -9.333 -9.563
108 HB3 LEU 11 HB3 LEU 11 16.881 -10.271 -10.503
109 HG LEU 11 HG LEU 11 18.536 -8.697 -9.016
110 HD11 LEU 11 HD11 LEU 11 16.236 -8.088 -7.834
111 HD12 LEU 11 HD12 LEU 11 17.746 -8.245 -6.937
112 HD13 LEU 11 HD13 LEU 11 16.592 -9.579 -6.961
113 HD21 LEU 11 HD21 LEU 11 19.239 -10.668 -8.129
114 HD22 LEU 11 HD22 LEU 11 18.222 -11.306 -9.422
115 HD23 LEU 11 HD23 LEU 11 17.603 -11.221 -7.772
116 H ARG 12 H ARG 12 18.208 -9.877 -12.280
117 HA ARG 12 HA ARG 12 16.812 -9.414 -14.795
118 HB2 ARG 12 HB2 ARG 12 19.191 -11.186 -14.206
119 HB3 ARG 12 HB3 ARG 12 18.574 -10.773 -15.800
120 HG2 ARG 12 HG2 ARG 12 20.182 -9.213 -15.737
121 HG3 ARG 12 HG3 ARG 12 18.997 -8.308 -14.792
122 HD2 ARG 12 HD2 ARG 12 21.183 -8.299 -13.708
123 HD3 ARG 12 HD3 ARG 12 19.990 -9.152 -12.729
124 HE ARG 12 HE ARG 12 21.475 -10.904 -14.434
125 HH11 ARG 12 HH11 ARG 12 21.524 -9.198 -11.400
126 HH12 ARG 12 HH12 ARG 12 22.635 -10.297 -10.651
127 HH21 ARG 12 HH21 ARG 12 22.938 -12.358 -13.459
128 HH22 ARG 12 HH22 ARG 12 23.439 -12.093 -11.823
Start of MODEL 3
1 H1 LYS 1 H LYS 1 2.393 0.785 0.775
2 HA LYS 1 HA LYS 1 1.428 0.016 -1.864
3 HB2 LYS 1 HB2 LYS 1 2.286 2.506 -1.728
4 HB3 LYS 1 HB3 LYS 1 3.869 1.741 -1.779
5 HG2 LYS 1 HG2 LYS 1 3.398 2.239 -4.002
6 HG3 LYS 1 HG3 LYS 1 3.015 0.522 -3.856
7 HD2 LYS 1 HD2 LYS 1 0.624 1.191 -3.475
8 HD3 LYS 1 HD3 LYS 1 1.090 2.842 -3.889
9 HE2 LYS 1 HE2 LYS 1 2.110 1.618 -6.009
10 HE3 LYS 1 HE3 LYS 1 0.868 0.431 -5.614
11 HZ1 LYS 1 HZ1 LYS 1 -0.087 3.140 -5.569
12 HZ2 LYS 1 HZ2 LYS 1 -0.738 1.778 -6.332
13 HZ3 LYS 1 HZ3 LYS 1 0.486 2.668 -7.089
14 H ARG 2 H ARG 2 2.527 -1.674 -2.721
15 HA ARG 2 HA ARG 2 4.550 -2.911 -1.043
16 HB2 ARG 2 HB2 ARG 2 3.118 -3.874 -3.523
17 HB3 ARG 2 HB3 ARG 2 4.309 -4.821 -2.642
18 HG2 ARG 2 HG2 ARG 2 1.941 -3.729 -1.196
19 HG3 ARG 2 HG3 ARG 2 1.767 -5.166 -2.206
20 HD2 ARG 2 HD2 ARG 2 3.957 -5.869 -0.850
21 HD3 ARG 2 HD3 ARG 2 3.231 -4.792 0.342
22 HE ARG 2 HE ARG 2 1.308 -6.617 -0.645
23 HH11 ARG 2 HH11 ARG 2 4.075 -6.419 1.458
24 HH12 ARG 2 HH12 ARG 2 3.563 -7.729 2.470
25 HH21 ARG 2 HH21 ARG 2 0.623 -8.343 0.680
26 HH22 ARG 2 HH22 ARG 2 1.600 -8.823 2.026
27 H ILE 3 H ILE 3 6.621 -2.451 -1.335
28 HA ILE 3 HA ILE 3 7.539 -1.541 -3.963
29 HB ILE 3 HB ILE 3 9.716 -1.152 -2.552
30 HG12 ILE 3 HG12 ILE 3 9.258 -0.641 -0.205
31 HG13 ILE 3 HG13 ILE 3 7.578 -1.125 -0.410
32 HG21 ILE 3 HG21 ILE 3 9.037 1.090 -2.157
33 HG22 ILE 3 HG22 ILE 3 8.193 0.545 -3.605
34 HG23 ILE 3 HG23 ILE 3 7.338 0.627 -2.065
35 HD11 ILE 3 HD11 ILE 3 9.685 -3.104 -1.064
36 HD12 ILE 3 HD12 ILE 3 9.374 -2.739 0.633
37 HD13 ILE 3 HD13 ILE 3 8.072 -3.342 -0.393
38 H VAL 4 H VAL 4 7.305 -4.376 -2.295
39 HA VAL 4 HA VAL 4 9.785 -5.617 -2.572
40 HB VAL 4 HB VAL 4 8.624 -7.733 -2.458
41 HG11 VAL 4 HG11 VAL 4 6.974 -5.907 -0.752
42 HG12 VAL 4 HG12 VAL 4 7.658 -7.486 -0.360
43 HG13 VAL 4 HG13 VAL 4 8.708 -6.074 -0.479
44 HG21 VAL 4 HG21 VAL 4 6.400 -6.144 -3.555
45 HG22 VAL 4 HG22 VAL 4 6.808 -7.843 -3.794
46 HG23 VAL 4 HG23 VAL 4 5.957 -7.338 -2.334
47 H GLN 5 H GLN 5 7.292 -4.968 -4.928
48 HA GLN 5 HA GLN 5 8.167 -6.762 -6.930
49 HB2 GLN 5 HB2 GLN 5 6.854 -5.310 -8.473
50 HB3 GLN 5 HB3 GLN 5 5.954 -5.832 -7.055
51 HG2 GLN 5 HG2 GLN 5 6.059 -3.712 -6.067
52 HG3 GLN 5 HG3 GLN 5 7.338 -3.176 -7.155
53 HE21 GLN 5 HE21 GLN 5 4.083 -4.568 -7.455
54 HE22 GLN 5 HE22 GLN 5 3.522 -3.434 -8.631
55 H ARG 6 H ARG 6 9.283 -3.654 -5.890
56 HA ARG 6 HA ARG 6 10.688 -2.955 -8.267
57 HB2 ARG 6 HB2 ARG 6 11.084 -2.024 -5.417
58 HB3 ARG 6 HB3 ARG 6 11.817 -1.284 -6.834
59 HG2 ARG 6 HG2 ARG 6 8.843 -1.542 -6.559
60 HG3 ARG 6 HG3 ARG 6 9.732 -0.188 -5.858
61 HD2 ARG 6 HD2 ARG 6 10.208 -0.883 -8.713
62 HD3 ARG 6 HD3 ARG 6 8.709 -0.057 -8.286
63 HE ARG 6 HE ARG 6 10.903 1.274 -7.117
64 HH11 ARG 6 HH11 ARG 6 9.389 0.726 -10.204
65 HH12 ARG 6 HH12 ARG 6 9.940 2.220 -10.886
66 HH21 ARG 6 HH21 ARG 6 11.634 3.244 -8.004
67 HH22 ARG 6 HH22 ARG 6 11.218 3.651 -9.634
68 H ILE 7 H ILE 7 11.510 -4.720 -5.340
69 HA ILE 7 HA ILE 7 14.307 -4.911 -5.999
70 HB ILE 7 HB ILE 7 12.699 -6.416 -3.932
71 HG12 ILE 7 HG12 ILE 7 14.162 -4.763 -2.466
72 HG13 ILE 7 HG13 ILE 7 14.137 -3.797 -3.937
73 HG21 ILE 7 HG21 ILE 7 15.678 -6.171 -4.322
74 HG22 ILE 7 HG22 ILE 7 14.899 -6.893 -2.916
75 HG23 ILE 7 HG23 ILE 7 14.706 -7.630 -4.506
76 HD11 ILE 7 HD11 ILE 7 12.259 -3.736 -1.963
77 HD12 ILE 7 HD12 ILE 7 12.022 -3.176 -3.619
78 HD13 ILE 7 HD13 ILE 7 11.514 -4.800 -3.156
79 H LYS 8 H LYS 8 11.669 -7.300 -5.731
80 HA LYS 8 HA LYS 8 13.004 -9.507 -6.713
81 HB2 LYS 8 HB2 LYS 8 10.881 -10.489 -7.114
82 HB3 LYS 8 HB3 LYS 8 10.669 -9.414 -5.738
83 HG2 LYS 8 HG2 LYS 8 8.849 -8.771 -6.893
84 HG3 LYS 8 HG3 LYS 8 10.014 -7.731 -7.717
85 HD2 LYS 8 HD2 LYS 8 10.042 -9.035 -9.612
86 HD3 LYS 8 HD3 LYS 8 9.575 -10.497 -8.740
87 HE2 LYS 8 HE2 LYS 8 7.736 -8.153 -9.181
88 HE3 LYS 8 HE3 LYS 8 7.814 -9.547 -10.257
89 HZ1 LYS 8 HZ1 LYS 8 6.548 -9.286 -7.695
90 HZ2 LYS 8 HZ2 LYS 8 7.523 -10.664 -7.805
91 HZ3 LYS 8 HZ3 LYS 8 6.277 -10.418 -8.923
92 H ASP 9 H ASP 9 11.687 -6.779 -8.444
93 HA ASP 9 HA ASP 9 12.051 -8.041 -11.033
94 HB2 ASP 9 HB2 ASP 9 10.157 -6.448 -10.505
95 HB3 ASP 9 HB3 ASP 9 11.353 -5.156 -10.473
96 H PHE 10 H PHE 10 13.698 -5.799 -8.933
97 HA PHE 10 HA PHE 10 15.442 -4.615 -10.776
98 HB2 PHE 10 HB2 PHE 10 15.163 -4.746 -7.912
99 HB3 PHE 10 HB3 PHE 10 16.859 -4.909 -8.356
100 HD1 PHE 10 HD1 PHE 10 17.883 -2.894 -7.916
101 HD2 PHE 10 HD2 PHE 10 14.105 -2.914 -9.876
102 HE1 PHE 10 HE1 PHE 10 18.035 -0.458 -8.227
103 HE2 PHE 10 HE2 PHE 10 14.251 -0.478 -10.191
104 HZ PHE 10 HZ PHE 10 16.218 0.753 -9.367
105 H LEU 11 H LEU 11 15.707 -7.615 -8.926
106 HA LEU 11 HA LEU 11 18.354 -8.223 -9.771
107 HB2 LEU 11 HB2 LEU 11 16.164 -9.670 -8.379
108 HB3 LEU 11 HB3 LEU 11 17.463 -10.625 -9.092
109 HG LEU 11 HG LEU 11 18.931 -8.865 -7.703
110 HD11 LEU 11 HD11 LEU 11 17.920 -8.411 -5.559
111 HD12 LEU 11 HD12 LEU 11 16.428 -9.206 -6.059
112 HD13 LEU 11 HD13 LEU 11 16.933 -7.709 -6.841
113 HD21 LEU 11 HD21 LEU 11 19.489 -10.645 -6.412
114 HD22 LEU 11 HD22 LEU 11 18.549 -11.504 -7.633
115 HD23 LEU 11 HD23 LEU 11 17.810 -11.079 -6.088
116 H ARG 12 H ARG 12 18.740 -10.426 -10.910
117 HA ARG 12 HA ARG 12 17.099 -10.447 -13.355
118 HB2 ARG 12 HB2 ARG 12 20.020 -11.044 -12.910
119 HB3 ARG 12 HB3 ARG 12 19.179 -11.513 -14.381
120 HG2 ARG 12 HG2 ARG 12 19.122 -8.677 -13.437
121 HG3 ARG 12 HG3 ARG 12 20.502 -9.304 -14.341
122 HD2 ARG 12 HD2 ARG 12 18.791 -10.106 -16.057
123 HD3 ARG 12 HD3 ARG 12 17.639 -9.066 -15.219
124 HE ARG 12 HE ARG 12 19.852 -7.503 -15.774
125 HH11 ARG 12 HH11 ARG 12 17.466 -9.300 -17.562
126 HH12 ARG 12 HH12 ARG 12 17.528 -8.258 -18.945
127 HH21 ARG 12 HH21 ARG 12 19.943 -6.124 -17.589
128 HH22 ARG 12 HH22 ARG 12 18.938 -6.453 -18.960
Start of MODEL 4
1 H1 LYS 1 H LYS 1 2.918 1.494 0.800
2 HA LYS 1 HA LYS 1 1.497 -0.076 -1.251
3 HB2 LYS 1 HB2 LYS 1 2.263 2.407 -1.689
4 HB3 LYS 1 HB3 LYS 1 3.835 1.658 -1.939
5 HG2 LYS 1 HG2 LYS 1 2.956 1.741 -4.072
6 HG3 LYS 1 HG3 LYS 1 2.580 0.094 -3.561
7 HD2 LYS 1 HD2 LYS 1 0.315 0.838 -2.927
8 HD3 LYS 1 HD3 LYS 1 0.701 2.457 -3.513
9 HE2 LYS 1 HE2 LYS 1 0.653 1.818 -5.713
10 HE3 LYS 1 HE3 LYS 1 1.104 0.153 -5.352
11 HZ1 LYS 1 HZ1 LYS 1 -1.453 1.191 -5.785
12 HZ2 LYS 1 HZ2 LYS 1 -1.384 0.680 -4.174
13 HZ3 LYS 1 HZ3 LYS 1 -1.022 -0.405 -5.420
14 H ARG 2 H ARG 2 2.655 -1.688 -2.348
15 HA ARG 2 HA ARG 2 4.825 -2.831 -0.791
16 HB2 ARG 2 HB2 ARG 2 3.274 -3.882 -3.162
17 HB3 ARG 2 HB3 ARG 2 4.545 -4.775 -2.337
18 HG2 ARG 2 HG2 ARG 2 2.222 -3.730 -0.783
19 HG3 ARG 2 HG3 ARG 2 2.054 -5.202 -1.743
20 HD2 ARG 2 HD2 ARG 2 4.340 -5.777 -0.489
21 HD3 ARG 2 HD3 ARG 2 3.635 -4.694 0.711
22 HE ARG 2 HE ARG 2 1.754 -6.643 -0.138
23 HH11 ARG 2 HH11 ARG 2 4.560 -6.197 1.874
24 HH12 ARG 2 HH12 ARG 2 4.143 -7.477 2.964
25 HH21 ARG 2 HH21 ARG 2 1.194 -8.331 1.291
26 HH22 ARG 2 HH22 ARG 2 2.229 -8.691 2.631
27 H ILE 3 H ILE 3 6.855 -2.306 -1.226
28 HA ILE 3 HA ILE 3 7.567 -1.407 -3.920
29 HB ILE 3 HB ILE 3 9.817 -0.923 -2.661
30 HG12 ILE 3 HG12 ILE 3 9.497 -0.391 -0.296
31 HG13 ILE 3 HG13 ILE 3 7.825 -0.933 -0.383
32 HG21 ILE 3 HG21 ILE 3 7.268 0.590 -2.725
33 HG22 ILE 3 HG22 ILE 3 8.579 1.236 -1.739
34 HG23 ILE 3 HG23 ILE 3 8.826 0.961 -3.463
35 HD11 ILE 3 HD11 ILE 3 8.394 -3.132 -0.365
36 HD12 ILE 3 HD12 ILE 3 9.950 -2.853 -1.148
37 HD13 ILE 3 HD13 ILE 3 9.741 -2.470 0.560
38 H VAL 4 H VAL 4 7.541 -4.222 -2.203
39 HA VAL 4 HA VAL 4 10.040 -5.382 -2.630
40 HB VAL 4 HB VAL 4 8.301 -6.411 -1.230
41 HG11 VAL 4 HG11 VAL 4 6.575 -5.924 -3.222
42 HG12 VAL 4 HG12 VAL 4 6.926 -7.622 -3.548
43 HG13 VAL 4 HG13 VAL 4 6.292 -7.138 -1.975
44 HG21 VAL 4 HG21 VAL 4 10.164 -7.766 -2.061
45 HG22 VAL 4 HG22 VAL 4 8.696 -8.727 -1.886
46 HG23 VAL 4 HG23 VAL 4 9.216 -8.196 -3.485
47 H GLN 5 H GLN 5 7.440 -4.748 -4.838
48 HA GLN 5 HA GLN 5 8.218 -6.580 -6.867
49 HB2 GLN 5 HB2 GLN 5 6.771 -5.148 -8.338
50 HB3 GLN 5 HB3 GLN 5 5.975 -5.764 -6.895
51 HG2 GLN 5 HG2 GLN 5 6.158 -3.642 -5.808
52 HG3 GLN 5 HG3 GLN 5 7.154 -3.006 -7.117
53 HE21 GLN 5 HE21 GLN 5 6.122 -1.742 -8.469
54 HE22 GLN 5 HE22 GLN 5 4.442 -1.819 -8.865
55 H ARG 6 H ARG 6 9.285 -3.424 -5.931
56 HA ARG 6 HA ARG 6 10.506 -2.703 -8.402
57 HB2 ARG 6 HB2 ARG 6 11.043 -1.719 -5.594
58 HB3 ARG 6 HB3 ARG 6 11.661 -0.973 -7.062
59 HG2 ARG 6 HG2 ARG 6 8.722 -1.349 -6.736
60 HG3 ARG 6 HG3 ARG 6 9.535 -0.028 -5.895
61 HD2 ARG 6 HD2 ARG 6 9.934 -0.483 -8.831
62 HD3 ARG 6 HD3 ARG 6 8.546 0.422 -8.230
63 HE ARG 6 HE ARG 6 10.783 1.529 -7.039
64 HH11 ARG 6 HH11 ARG 6 9.544 1.088 -10.262
65 HH12 ARG 6 HH12 ARG 6 10.306 2.511 -10.891
66 HH21 ARG 6 HH21 ARG 6 11.792 3.406 -7.854
67 HH22 ARG 6 HH22 ARG 6 11.585 3.829 -9.520
68 H ILE 7 H ILE 7 11.445 -4.661 -5.705
69 HA ILE 7 HA ILE 7 14.248 -4.686 -6.499
70 HB ILE 7 HB ILE 7 12.851 -6.172 -4.271
71 HG12 ILE 7 HG12 ILE 7 14.403 -4.445 -2.980
72 HG13 ILE 7 HG13 ILE 7 14.201 -3.517 -4.461
73 HG21 ILE 7 HG21 ILE 7 15.632 -5.886 -3.822
74 HG22 ILE 7 HG22 ILE 7 14.705 -7.368 -4.054
75 HG23 ILE 7 HG23 ILE 7 15.414 -6.546 -5.443
76 HD11 ILE 7 HD11 ILE 7 12.512 -3.516 -2.299
77 HD12 ILE 7 HD12 ILE 7 12.131 -2.926 -3.918
78 HD13 ILE 7 HD13 ILE 7 11.692 -4.569 -3.452
79 H LYS 8 H LYS 8 11.687 -7.113 -5.966
80 HA LYS 8 HA LYS 8 12.991 -9.317 -7.008
81 HB2 LYS 8 HB2 LYS 8 10.865 -10.357 -7.195
82 HB3 LYS 8 HB3 LYS 8 10.756 -9.260 -5.825
83 HG2 LYS 8 HG2 LYS 8 8.812 -8.710 -6.828
84 HG3 LYS 8 HG3 LYS 8 9.867 -7.624 -7.735
85 HD2 LYS 8 HD2 LYS 8 9.771 -8.899 -9.638
86 HD3 LYS 8 HD3 LYS 8 9.479 -10.396 -8.749
87 HE2 LYS 8 HE2 LYS 8 7.431 -8.208 -8.808
88 HE3 LYS 8 HE3 LYS 8 7.554 -9.368 -10.130
89 HZ1 LYS 8 HZ1 LYS 8 6.205 -10.612 -8.889
90 HZ2 LYS 8 HZ2 LYS 8 6.490 -9.717 -7.483
91 HZ3 LYS 8 HZ3 LYS 8 7.561 -10.946 -7.934
92 H ASP 9 H ASP 9 11.391 -6.690 -8.674
93 HA ASP 9 HA ASP 9 11.566 -7.995 -11.254
94 HB2 ASP 9 HB2 ASP 9 9.731 -6.350 -10.482
95 HB3 ASP 9 HB3 ASP 9 10.915 -5.090 -10.818
96 H PHE 10 H PHE 10 13.422 -5.797 -9.332
97 HA PHE 10 HA PHE 10 14.939 -4.575 -11.368
98 HB2 PHE 10 HB2 PHE 10 14.902 -4.607 -8.507
99 HB3 PHE 10 HB3 PHE 10 16.558 -4.856 -9.050
100 HD1 PHE 10 HD1 PHE 10 17.701 -2.879 -8.783
101 HD2 PHE 10 HD2 PHE 10 13.779 -2.796 -10.436
102 HE1 PHE 10 HE1 PHE 10 17.929 -0.463 -9.194
103 HE2 PHE 10 HE2 PHE 10 14.001 -0.381 -10.850
104 HZ PHE 10 HZ PHE 10 16.078 0.789 -10.230
105 H LEU 11 H LEU 11 15.866 -7.239 -9.180
106 HA LEU 11 HA LEU 11 18.184 -7.900 -10.702
107 HB2 LEU 11 HB2 LEU 11 18.593 -9.535 -9.122
108 HB3 LEU 11 HB3 LEU 11 17.690 -8.327 -8.211
109 HG LEU 11 HG LEU 11 16.503 -10.854 -9.353
110 HD11 LEU 11 HD11 LEU 11 16.387 -11.457 -6.878
111 HD12 LEU 11 HD12 LEU 11 17.602 -10.202 -6.638
112 HD13 LEU 11 HD13 LEU 11 17.957 -11.586 -7.671
113 HD21 LEU 11 HD21 LEU 11 15.399 -8.828 -7.410
114 HD22 LEU 11 HD22 LEU 11 14.598 -10.308 -7.936
115 HD23 LEU 11 HD23 LEU 11 14.910 -9.014 -9.094
116 H ARG 12 H ARG 12 18.512 -10.209 -11.491
117 HA ARG 12 HA ARG 12 16.160 -11.000 -13.076
118 HB2 ARG 12 HB2 ARG 12 17.926 -12.070 -14.587
119 HB3 ARG 12 HB3 ARG 12 17.818 -10.315 -14.595
120 HG2 ARG 12 HG2 ARG 12 19.722 -11.516 -12.682
121 HG3 ARG 12 HG3 ARG 12 20.125 -11.636 -14.395
122 HD2 ARG 12 HD2 ARG 12 19.230 -9.010 -13.312
123 HD3 ARG 12 HD3 ARG 12 20.867 -9.558 -12.956
124 HE ARG 12 HE ARG 12 20.604 -9.881 -15.655
125 HH11 ARG 12 HH11 ARG 12 20.241 -7.221 -13.439
126 HH12 ARG 12 HH12 ARG 12 20.710 -6.021 -14.598
127 HH21 ARG 12 HH21 ARG 12 21.223 -8.311 -17.190
128 HH22 ARG 12 HH22 ARG 12 21.267 -6.642 -16.731
Start of MODEL 5
1 H1 LYS 1 H LYS 1 2.989 1.992 0.049
2 HA LYS 1 HA LYS 1 1.502 -0.272 -0.914
3 HB2 LYS 1 HB2 LYS 1 3.219 1.840 -2.138
4 HB3 LYS 1 HB3 LYS 1 2.929 0.368 -3.055
5 HG2 LYS 1 HG2 LYS 1 1.243 1.746 -3.797
6 HG3 LYS 1 HG3 LYS 1 0.433 0.828 -2.525
7 HD2 LYS 1 HD2 LYS 1 0.989 2.718 -0.958
8 HD3 LYS 1 HD3 LYS 1 1.518 3.635 -2.370
9 HE2 LYS 1 HE2 LYS 1 -0.839 3.006 -3.300
10 HE3 LYS 1 HE3 LYS 1 -1.228 2.744 -1.601
11 HZ1 LYS 1 HZ1 LYS 1 -0.212 5.262 -2.803
12 HZ2 LYS 1 HZ2 LYS 1 -0.480 5.022 -1.150
13 HZ3 LYS 1 HZ3 LYS 1 -1.780 4.983 -2.232
14 H ARG 2 H ARG 2 2.636 -1.868 -2.408
15 HA ARG 2 HA ARG 2 4.811 -3.076 -0.907
16 HB2 ARG 2 HB2 ARG 2 2.874 -3.992 -2.972
17 HB3 ARG 2 HB3 ARG 2 4.416 -4.833 -2.879
18 HG2 ARG 2 HG2 ARG 2 2.687 -4.414 -0.464
19 HG3 ARG 2 HG3 ARG 2 2.477 -5.791 -1.547
20 HD2 ARG 2 HD2 ARG 2 3.929 -6.739 -0.082
21 HD3 ARG 2 HD3 ARG 2 5.103 -5.983 -1.159
22 HE ARG 2 HE ARG 2 5.680 -4.546 0.530
23 HH11 ARG 2 HH11 ARG 2 2.685 -6.126 1.337
24 HH12 ARG 2 HH12 ARG 2 2.648 -5.516 2.958
25 HH21 ARG 2 HH21 ARG 2 5.643 -3.736 2.662
26 HH22 ARG 2 HH22 ARG 2 4.331 -4.156 3.711
27 H ILE 3 H ILE 3 6.843 -2.588 -1.374
28 HA ILE 3 HA ILE 3 7.523 -1.667 -4.069
29 HB ILE 3 HB ILE 3 9.806 -1.247 -2.847
30 HG12 ILE 3 HG12 ILE 3 9.542 -0.741 -0.470
31 HG13 ILE 3 HG13 ILE 3 7.857 -1.247 -0.532
32 HG21 ILE 3 HG21 ILE 3 9.124 0.820 -3.270
33 HG22 ILE 3 HG22 ILE 3 7.444 0.287 -3.282
34 HG23 ILE 3 HG23 ILE 3 8.193 0.805 -1.772
35 HD11 ILE 3 HD11 ILE 3 8.380 -3.457 -0.554
36 HD12 ILE 3 HD12 ILE 3 9.927 -3.199 -1.363
37 HD13 ILE 3 HD13 ILE 3 9.758 -2.835 0.355
38 H VAL 4 H VAL 4 7.471 -4.504 -2.389
39 HA VAL 4 HA VAL 4 9.932 -5.714 -2.866
40 HB VAL 4 HB VAL 4 8.245 -6.766 -1.467
41 HG11 VAL 4 HG11 VAL 4 6.234 -7.720 -2.308
42 HG12 VAL 4 HG12 VAL 4 6.308 -6.061 -2.904
43 HG13 VAL 4 HG13 VAL 4 6.707 -7.404 -3.977
44 HG21 VAL 4 HG21 VAL 4 9.952 -8.198 -2.426
45 HG22 VAL 4 HG22 VAL 4 8.424 -9.071 -2.316
46 HG23 VAL 4 HG23 VAL 4 8.969 -8.441 -3.870
47 H GLN 5 H GLN 5 7.317 -4.998 -5.039
48 HA GLN 5 HA GLN 5 8.036 -6.801 -7.109
49 HB2 GLN 5 HB2 GLN 5 6.539 -5.500 -8.515
50 HB3 GLN 5 HB3 GLN 5 5.803 -5.773 -6.941
51 HG2 GLN 5 HG2 GLN 5 6.318 -3.530 -6.252
52 HG3 GLN 5 HG3 GLN 5 7.219 -3.242 -7.740
53 HE21 GLN 5 HE21 GLN 5 6.133 -2.779 -9.607
54 HE22 GLN 5 HE22 GLN 5 4.432 -2.482 -9.669
55 H ARG 6 H ARG 6 9.202 -3.695 -6.123
56 HA ARG 6 HA ARG 6 10.436 -2.978 -8.594
57 HB2 ARG 6 HB2 ARG 6 10.978 -2.029 -5.775
58 HB3 ARG 6 HB3 ARG 6 11.640 -1.294 -7.229
59 HG2 ARG 6 HG2 ARG 6 8.702 -1.514 -6.613
60 HG3 ARG 6 HG3 ARG 6 9.693 -0.087 -6.303
61 HD2 ARG 6 HD2 ARG 6 10.266 -0.078 -8.747
62 HD3 ARG 6 HD3 ARG 6 9.057 -1.342 -8.967
63 HE ARG 6 HE ARG 6 7.855 0.797 -7.628
64 HH11 ARG 6 HH11 ARG 6 9.226 0.057 -10.741
65 HH12 ARG 6 HH12 ARG 6 8.218 1.177 -11.596
66 HH21 ARG 6 HH21 ARG 6 6.523 2.276 -8.742
67 HH22 ARG 6 HH22 ARG 6 6.682 2.440 -10.458
68 H ILE 7 H ILE 7 11.450 -4.744 -5.734
69 HA ILE 7 HA ILE 7 14.208 -4.891 -6.556
70 HB ILE 7 HB ILE 7 12.749 -6.417 -4.396
71 HG12 ILE 7 HG12 ILE 7 14.275 -4.743 -3.020
72 HG13 ILE 7 HG13 ILE 7 14.149 -3.778 -4.487
73 HG21 ILE 7 HG21 ILE 7 15.242 -6.530 -3.568
74 HG22 ILE 7 HG22 ILE 7 14.611 -7.710 -4.715
75 HG23 ILE 7 HG23 ILE 7 15.588 -6.359 -5.289
76 HD11 ILE 7 HD11 ILE 7 12.396 -3.730 -2.406
77 HD12 ILE 7 HD12 ILE 7 12.043 -3.193 -4.049
78 HD13 ILE 7 HD13 ILE 7 11.594 -4.820 -3.537
79 H LYS 8 H LYS 8 11.595 -7.289 -6.168
80 HA LYS 8 HA LYS 8 12.895 -9.494 -7.207
81 HB2 LYS 8 HB2 LYS 8 10.759 -10.483 -7.510
82 HB3 LYS 8 HB3 LYS 8 10.610 -9.412 -6.123
83 HG2 LYS 8 HG2 LYS 8 8.727 -8.797 -7.200
84 HG3 LYS 8 HG3 LYS 8 9.845 -7.720 -8.040
85 HD2 LYS 8 HD2 LYS 8 8.867 -8.651 -9.864
86 HD3 LYS 8 HD3 LYS 8 10.097 -9.887 -9.588
87 HE2 LYS 8 HE2 LYS 8 8.538 -11.299 -8.474
88 HE3 LYS 8 HE3 LYS 8 7.325 -10.021 -8.419
89 HZ1 LYS 8 HZ1 LYS 8 6.689 -10.420 -10.517
90 HZ2 LYS 8 HZ2 LYS 8 7.397 -11.937 -10.278
91 HZ3 LYS 8 HZ3 LYS 8 8.261 -10.716 -11.069
92 H ASP 9 H ASP 9 11.429 -6.795 -8.880
93 HA ASP 9 HA ASP 9 11.710 -8.048 -11.480
94 HB2 ASP 9 HB2 ASP 9 9.847 -6.408 -10.751
95 HB3 ASP 9 HB3 ASP 9 11.051 -5.150 -11.018
96 H PHE 10 H PHE 10 13.476 -5.900 -9.421
97 HA PHE 10 HA PHE 10 15.090 -4.626 -11.341
98 HB2 PHE 10 HB2 PHE 10 14.931 -4.761 -8.490
99 HB3 PHE 10 HB3 PHE 10 16.607 -5.009 -8.968
100 HD1 PHE 10 HD1 PHE 10 17.837 -3.090 -8.782
101 HD2 PHE 10 HD2 PHE 10 13.831 -2.835 -10.199
102 HE1 PHE 10 HE1 PHE 10 18.105 -0.664 -9.096
103 HE2 PHE 10 HE2 PHE 10 14.094 -0.409 -10.516
104 HZ PHE 10 HZ PHE 10 16.233 0.679 -9.963
105 H LEU 11 H LEU 11 15.891 -7.391 -9.231
106 HA LEU 11 HA LEU 11 18.276 -8.007 -10.668
107 HB2 LEU 11 HB2 LEU 11 18.599 -9.710 -9.142
108 HB3 LEU 11 HB3 LEU 11 17.661 -8.534 -8.223
109 HG LEU 11 HG LEU 11 16.514 -11.001 -9.527
110 HD11 LEU 11 HD11 LEU 11 16.441 -10.971 -6.656
111 HD12 LEU 11 HD12 LEU 11 18.102 -10.834 -7.232
112 HD13 LEU 11 HD13 LEU 11 17.099 -12.189 -7.749
113 HD21 LEU 11 HD21 LEU 11 14.922 -9.161 -9.267
114 HD22 LEU 11 HD22 LEU 11 15.331 -9.048 -7.555
115 HD23 LEU 11 HD23 LEU 11 14.546 -10.499 -8.182
116 H ARG 12 H ARG 12 18.693 -10.024 -11.799
117 HA ARG 12 HA ARG 12 16.345 -10.891 -13.345
118 HB2 ARG 12 HB2 ARG 12 18.114 -11.657 -15.016
119 HB3 ARG 12 HB3 ARG 12 17.895 -9.922 -14.832
120 HG2 ARG 12 HG2 ARG 12 19.922 -11.065 -13.061
121 HG3 ARG 12 HG3 ARG 12 20.285 -11.216 -14.781
122 HD2 ARG 12 HD2 ARG 12 20.158 -8.874 -15.106
123 HD3 ARG 12 HD3 ARG 12 19.428 -8.623 -13.521
124 HE ARG 12 HE ARG 12 21.981 -9.808 -13.251
125 HH11 ARG 12 HH11 ARG 12 20.436 -6.787 -14.028
126 HH12 ARG 12 HH12 ARG 12 21.761 -5.817 -13.475
127 HH21 ARG 12 HH21 ARG 12 23.732 -8.543 -12.520
128 HH22 ARG 12 HH22 ARG 12 23.636 -6.817 -12.618
Start of MODEL 6
1 H1 LYS 1 H LYS 1 3.514 1.644 0.568
2 HA LYS 1 HA LYS 1 1.633 -0.410 -0.368
3 HB2 LYS 1 HB2 LYS 1 3.458 1.426 -1.931
4 HB3 LYS 1 HB3 LYS 1 2.377 0.233 -2.640
5 HG2 LYS 1 HG2 LYS 1 1.256 2.307 -0.819
6 HG3 LYS 1 HG3 LYS 1 1.675 2.742 -2.477
7 HD2 LYS 1 HD2 LYS 1 0.049 0.289 -1.995
8 HD3 LYS 1 HD3 LYS 1 -0.731 1.868 -1.874
9 HE2 LYS 1 HE2 LYS 1 0.461 2.285 -4.171
10 HE3 LYS 1 HE3 LYS 1 0.493 0.524 -4.242
11 HZ1 LYS 1 HZ1 LYS 1 -1.547 0.721 -5.080
12 HZ2 LYS 1 HZ2 LYS 1 -1.717 2.327 -4.579
13 HZ3 LYS 1 HZ3 LYS 1 -2.055 1.066 -3.503
14 H ARG 2 H ARG 2 2.668 -1.903 -2.088
15 HA ARG 2 HA ARG 2 4.932 -3.193 -0.803
16 HB2 ARG 2 HB2 ARG 2 2.942 -3.990 -2.894
17 HB3 ARG 2 HB3 ARG 2 4.453 -4.880 -2.757
18 HG2 ARG 2 HG2 ARG 2 2.720 -4.427 -0.360
19 HG3 ARG 2 HG3 ARG 2 2.385 -5.737 -1.494
20 HD2 ARG 2 HD2 ARG 2 3.746 -6.846 -0.042
21 HD3 ARG 2 HD3 ARG 2 4.965 -6.207 -1.144
22 HE ARG 2 HE ARG 2 4.594 -4.315 0.854
23 HH11 ARG 2 HH11 ARG 2 5.719 -7.597 0.561
24 HH12 ARG 2 HH12 ARG 2 6.800 -7.484 1.910
25 HH21 ARG 2 HH21 ARG 2 6.014 -4.155 2.632
26 HH22 ARG 2 HH22 ARG 2 6.967 -5.526 3.088
27 H ILE 3 H ILE 3 6.931 -2.666 -1.362
28 HA ILE 3 HA ILE 3 7.442 -1.573 -4.031
29 HB ILE 3 HB ILE 3 9.796 -1.221 -2.928
30 HG12 ILE 3 HG12 ILE 3 9.679 -0.868 -0.511
31 HG13 ILE 3 HG13 ILE 3 7.994 -1.376 -0.501
32 HG21 ILE 3 HG21 ILE 3 8.481 0.622 -3.631
33 HG22 ILE 3 HG22 ILE 3 7.319 0.377 -2.328
34 HG23 ILE 3 HG23 ILE 3 8.948 0.944 -1.961
35 HD11 ILE 3 HD11 ILE 3 8.517 -3.579 -0.695
36 HD12 ILE 3 HD12 ILE 3 10.010 -3.263 -1.580
37 HD13 ILE 3 HD13 ILE 3 9.948 -3.009 0.164
38 H VAL 4 H VAL 4 7.504 -4.510 -2.525
39 HA VAL 4 HA VAL 4 9.927 -5.679 -3.225
40 HB VAL 4 HB VAL 4 8.805 -7.824 -3.127
41 HG11 VAL 4 HG11 VAL 4 7.771 -5.845 -1.102
42 HG12 VAL 4 HG12 VAL 4 7.686 -7.598 -0.917
43 HG13 VAL 4 HG13 VAL 4 9.254 -6.794 -1.005
44 HG21 VAL 4 HG21 VAL 4 6.337 -6.167 -3.493
45 HG22 VAL 4 HG22 VAL 4 6.849 -7.610 -4.369
46 HG23 VAL 4 HG23 VAL 4 6.258 -7.747 -2.713
47 H GLN 5 H GLN 5 7.133 -4.932 -5.184
48 HA GLN 5 HA GLN 5 7.731 -6.560 -7.403
49 HB2 GLN 5 HB2 GLN 5 6.222 -5.083 -8.655
50 HB3 GLN 5 HB3 GLN 5 5.537 -5.539 -7.101
51 HG2 GLN 5 HG2 GLN 5 6.037 -3.399 -6.171
52 HG3 GLN 5 HG3 GLN 5 6.961 -2.939 -7.600
53 HE21 GLN 5 HE21 GLN 5 3.898 -3.057 -6.131
54 HE22 GLN 5 HE22 GLN 5 2.979 -2.417 -7.446
55 H ARG 6 H ARG 6 9.034 -3.551 -6.300
56 HA ARG 6 HA ARG 6 10.188 -2.786 -8.816
57 HB2 ARG 6 HB2 ARG 6 10.762 -1.821 -6.008
58 HB3 ARG 6 HB3 ARG 6 11.379 -1.079 -7.478
59 HG2 ARG 6 HG2 ARG 6 8.494 -1.279 -6.643
60 HG3 ARG 6 HG3 ARG 6 9.496 0.173 -6.653
61 HD2 ARG 6 HD2 ARG 6 8.690 -1.457 -9.060
62 HD3 ARG 6 HD3 ARG 6 8.029 0.111 -8.598
63 HE ARG 6 HE ARG 6 10.458 -0.371 -10.002
64 HH11 ARG 6 HH11 ARG 6 8.936 1.763 -7.710
65 HH12 ARG 6 HH12 ARG 6 9.930 3.122 -8.119
66 HH21 ARG 6 HH21 ARG 6 11.773 1.411 -10.549
67 HH22 ARG 6 HH22 ARG 6 11.542 2.922 -9.734
68 H ILE 7 H ILE 7 11.358 -4.320 -5.847
69 HA ILE 7 HA ILE 7 14.059 -4.533 -6.783
70 HB ILE 7 HB ILE 7 12.698 -5.952 -4.490
71 HG12 ILE 7 HG12 ILE 7 14.286 -4.174 -3.292
72 HG13 ILE 7 HG13 ILE 7 14.012 -3.294 -4.793
73 HG21 ILE 7 HG21 ILE 7 15.559 -5.797 -5.374
74 HG22 ILE 7 HG22 ILE 7 15.129 -6.120 -3.695
75 HG23 ILE 7 HG23 ILE 7 14.600 -7.220 -4.968
76 HD11 ILE 7 HD11 ILE 7 12.424 -3.174 -2.598
77 HD12 ILE 7 HD12 ILE 7 11.912 -2.777 -4.239
78 HD13 ILE 7 HD13 ILE 7 11.586 -4.378 -3.576
79 H LYS 8 H LYS 8 11.483 -6.925 -6.186
80 HA LYS 8 HA LYS 8 12.769 -9.180 -7.128
81 HB2 LYS 8 HB2 LYS 8 10.632 -10.192 -7.331
82 HB3 LYS 8 HB3 LYS 8 10.505 -9.044 -6.004
83 HG2 LYS 8 HG2 LYS 8 8.596 -8.507 -7.080
84 HG3 LYS 8 HG3 LYS 8 9.691 -7.463 -7.989
85 HD2 LYS 8 HD2 LYS 8 9.649 -8.812 -9.850
86 HD3 LYS 8 HD3 LYS 8 9.273 -10.264 -8.920
87 HE2 LYS 8 HE2 LYS 8 7.002 -9.403 -8.533
88 HE3 LYS 8 HE3 LYS 8 7.387 -7.982 -9.503
89 HZ1 LYS 8 HZ1 LYS 8 6.186 -10.002 -10.570
90 HZ2 LYS 8 HZ2 LYS 8 7.742 -10.657 -10.668
91 HZ3 LYS 8 HZ3 LYS 8 7.392 -9.190 -11.435
92 H ASP 9 H ASP 9 11.255 -6.586 -8.922
93 HA ASP 9 HA ASP 9 11.492 -7.985 -11.451
94 HB2 ASP 9 HB2 ASP 9 9.594 -6.414 -10.905
95 HB3 ASP 9 HB3 ASP 9 10.754 -5.091 -10.996
96 H PHE 10 H PHE 10 13.274 -5.692 -9.561
97 HA PHE 10 HA PHE 10 14.844 -4.527 -11.577
98 HB2 PHE 10 HB2 PHE 10 14.765 -4.536 -8.709
99 HB3 PHE 10 HB3 PHE 10 16.429 -4.750 -9.242
100 HD1 PHE 10 HD1 PHE 10 17.551 -2.757 -9.048
101 HD2 PHE 10 HD2 PHE 10 13.584 -2.752 -10.592
102 HE1 PHE 10 HE1 PHE 10 17.724 -0.340 -9.475
103 HE2 PHE 10 HE2 PHE 10 13.751 -0.335 -11.022
104 HZ PHE 10 HZ PHE 10 15.822 0.874 -10.462
105 H LEU 11 H LEU 11 15.710 -7.168 -9.339
106 HA LEU 11 HA LEU 11 18.066 -7.848 -10.797
107 HB2 LEU 11 HB2 LEU 11 18.438 -9.461 -9.186
108 HB3 LEU 11 HB3 LEU 11 17.514 -8.241 -8.312
109 HG LEU 11 HG LEU 11 16.354 -10.785 -9.447
110 HD11 LEU 11 HD11 LEU 11 17.430 -10.099 -6.737
111 HD12 LEU 11 HD12 LEU 11 17.733 -11.526 -7.727
112 HD13 LEU 11 HD13 LEU 11 16.169 -11.315 -6.941
113 HD21 LEU 11 HD21 LEU 11 14.755 -8.942 -9.253
114 HD22 LEU 11 HD22 LEU 11 15.204 -8.730 -7.560
115 HD23 LEU 11 HD23 LEU 11 14.415 -10.219 -8.084
116 H ARG 12 H ARG 12 18.419 -10.141 -11.579
117 HA ARG 12 HA ARG 12 16.123 -10.924 -13.242
118 HB2 ARG 12 HB2 ARG 12 17.896 -12.079 -14.639
119 HB3 ARG 12 HB3 ARG 12 17.942 -10.322 -14.633
120 HG2 ARG 12 HG2 ARG 12 19.600 -11.635 -12.590
121 HG3 ARG 12 HG3 ARG 12 20.095 -11.895 -14.264
122 HD2 ARG 12 HD2 ARG 12 20.536 -9.665 -14.621
123 HD3 ARG 12 HD3 ARG 12 19.421 -9.135 -13.363
124 HE ARG 12 HE ARG 12 21.530 -10.545 -12.168
125 HH11 ARG 12 HH11 ARG 12 20.925 -7.553 -13.843
126 HH12 ARG 12 HH12 ARG 12 22.202 -6.697 -13.044
127 HH21 ARG 12 HH21 ARG 12 23.214 -9.428 -11.110
128 HH22 ARG 12 HH22 ARG 12 23.504 -7.764 -11.491
Start of MODEL 7
1 H1 LYS 1 H LYS 1 2.336 1.670 0.338
2 HA LYS 1 HA LYS 1 1.186 -0.401 -1.246
3 HB2 LYS 1 HB2 LYS 1 3.392 1.545 -1.946
4 HB3 LYS 1 HB3 LYS 1 2.471 0.577 -3.090
5 HG2 LYS 1 HG2 LYS 1 0.989 2.392 -1.263
6 HG3 LYS 1 HG3 LYS 1 1.873 3.093 -2.620
7 HD2 LYS 1 HD2 LYS 1 -0.103 2.705 -3.673
8 HD3 LYS 1 HD3 LYS 1 0.634 1.120 -3.917
9 HE2 LYS 1 HE2 LYS 1 -1.380 0.463 -3.078
10 HE3 LYS 1 HE3 LYS 1 -0.490 0.645 -1.567
11 HZ1 LYS 1 HZ1 LYS 1 -2.434 1.790 -1.165
12 HZ2 LYS 1 HZ2 LYS 1 -2.537 2.413 -2.733
13 HZ3 LYS 1 HZ3 LYS 1 -1.400 3.038 -1.648
14 H ARG 2 H ARG 2 2.432 -1.889 -2.613
15 HA ARG 2 HA ARG 2 4.479 -3.215 -1.034
16 HB2 ARG 2 HB2 ARG 2 2.736 -3.963 -3.330
17 HB3 ARG 2 HB3 ARG 2 4.261 -4.820 -3.149
18 HG2 ARG 2 HG2 ARG 2 2.318 -4.560 -0.880
19 HG3 ARG 2 HG3 ARG 2 2.192 -5.848 -2.081
20 HD2 ARG 2 HD2 ARG 2 3.485 -6.911 -0.535
21 HD3 ARG 2 HD3 ARG 2 4.754 -6.147 -1.492
22 HE ARG 2 HE ARG 2 5.277 -4.850 0.316
23 HH11 ARG 2 HH11 ARG 2 2.110 -6.218 0.784
24 HH12 ARG 2 HH12 ARG 2 1.962 -5.649 2.414
25 HH21 ARG 2 HH21 ARG 2 5.094 -4.095 2.461
26 HH22 ARG 2 HH22 ARG 2 3.660 -4.441 3.366
27 H ILE 3 H ILE 3 6.541 -2.697 -1.289
28 HA ILE 3 HA ILE 3 7.440 -1.570 -3.838
29 HB ILE 3 HB ILE 3 9.611 -1.252 -2.401
30 HG12 ILE 3 HG12 ILE 3 9.146 -0.932 -0.021
31 HG13 ILE 3 HG13 ILE 3 7.475 -1.429 -0.264
32 HG21 ILE 3 HG21 ILE 3 8.947 0.837 -2.744
33 HG22 ILE 3 HG22 ILE 3 7.269 0.314 -2.887
34 HG23 ILE 3 HG23 ILE 3 7.934 0.723 -1.305
35 HD11 ILE 3 HD11 ILE 3 9.617 -3.314 -1.069
36 HD12 ILE 3 HD12 ILE 3 9.301 -3.086 0.652
37 HD13 ILE 3 HD13 ILE 3 8.009 -3.631 -0.418
38 H VAL 4 H VAL 4 7.259 -4.529 -2.395
39 HA VAL 4 HA VAL 4 9.755 -5.706 -2.754
40 HB VAL 4 HB VAL 4 8.626 -7.842 -2.833
41 HG11 VAL 4 HG11 VAL 4 7.191 -5.935 -0.987
42 HG12 VAL 4 HG12 VAL 4 7.281 -7.687 -0.798
43 HG13 VAL 4 HG13 VAL 4 8.744 -6.709 -0.672
44 HG21 VAL 4 HG21 VAL 4 6.287 -6.177 -3.644
45 HG22 VAL 4 HG22 VAL 4 6.872 -7.699 -4.316
46 HG23 VAL 4 HG23 VAL 4 6.013 -7.688 -2.776
47 H GLN 5 H GLN 5 7.281 -4.897 -5.079
48 HA GLN 5 HA GLN 5 8.225 -6.501 -7.213
49 HB2 GLN 5 HB2 GLN 5 6.826 -5.102 -8.639
50 HB3 GLN 5 HB3 GLN 5 5.963 -5.545 -7.172
51 HG2 GLN 5 HG2 GLN 5 6.363 -3.362 -6.228
52 HG3 GLN 5 HG3 GLN 5 7.346 -2.910 -7.620
53 HE21 GLN 5 HE21 GLN 5 4.104 -4.099 -6.819
54 HE22 GLN 5 HE22 GLN 5 3.277 -3.157 -8.008
55 H ARG 6 H ARG 6 9.239 -3.468 -5.896
56 HA ARG 6 HA ARG 6 10.637 -2.518 -8.189
57 HB2 ARG 6 HB2 ARG 6 11.026 -1.833 -5.269
58 HB3 ARG 6 HB3 ARG 6 11.685 -0.932 -6.628
59 HG2 ARG 6 HG2 ARG 6 8.738 -1.353 -6.233
60 HG3 ARG 6 HG3 ARG 6 9.615 0.019 -5.554
61 HD2 ARG 6 HD2 ARG 6 8.831 0.886 -7.546
62 HD3 ARG 6 HD3 ARG 6 10.452 0.353 -7.990
63 HE ARG 6 HE ARG 6 8.799 -1.778 -8.527
64 HH11 ARG 6 HH11 ARG 6 9.040 1.544 -9.541
65 HH12 ARG 6 HH12 ARG 6 8.375 1.248 -11.113
66 HH21 ARG 6 HH21 ARG 6 7.922 -2.180 -10.594
67 HH22 ARG 6 HH22 ARG 6 7.738 -0.870 -11.711
68 H ILE 7 H ILE 7 11.462 -4.575 -5.474
69 HA ILE 7 HA ILE 7 14.279 -4.606 -6.102
70 HB ILE 7 HB ILE 7 12.697 -6.340 -4.201
71 HG12 ILE 7 HG12 ILE 7 14.107 -4.799 -2.572
72 HG13 ILE 7 HG13 ILE 7 14.071 -3.699 -3.946
73 HG21 ILE 7 HG21 ILE 7 14.614 -7.570 -4.593
74 HG22 ILE 7 HG22 ILE 7 15.611 -6.136 -4.829
75 HG23 ILE 7 HG23 ILE 7 15.084 -6.586 -3.207
76 HD11 ILE 7 HD11 ILE 7 12.173 -3.881 -1.991
77 HD12 ILE 7 HD12 ILE 7 11.944 -3.153 -3.582
78 HD13 ILE 7 HD13 ILE 7 11.465 -4.827 -3.300
79 H LYS 8 H LYS 8 11.693 -7.064 -6.105
80 HA LYS 8 HA LYS 8 13.101 -9.134 -7.278
81 HB2 LYS 8 HB2 LYS 8 11.008 -10.133 -7.784
82 HB3 LYS 8 HB3 LYS 8 10.766 -9.209 -6.308
83 HG2 LYS 8 HG2 LYS 8 8.935 -8.481 -7.382
84 HG3 LYS 8 HG3 LYS 8 10.072 -7.360 -8.135
85 HD2 LYS 8 HD2 LYS 8 10.365 -8.997 -9.986
86 HD3 LYS 8 HD3 LYS 8 9.101 -9.989 -9.254
87 HE2 LYS 8 HE2 LYS 8 8.790 -7.153 -10.237
88 HE3 LYS 8 HE3 LYS 8 8.211 -8.602 -11.057
89 HZ1 LYS 8 HZ1 LYS 8 7.009 -8.964 -8.776
90 HZ2 LYS 8 HZ2 LYS 8 6.336 -7.963 -9.961
91 HZ3 LYS 8 HZ3 LYS 8 7.171 -7.284 -8.657
92 H ASP 9 H ASP 9 11.724 -6.285 -8.739
93 HA ASP 9 HA ASP 9 12.129 -7.283 -11.437
94 HB2 ASP 9 HB2 ASP 9 10.194 -5.771 -10.690
95 HB3 ASP 9 HB3 ASP 9 11.375 -4.465 -10.685
96 H PHE 10 H PHE 10 13.755 -5.330 -9.090
97 HA PHE 10 HA PHE 10 15.443 -3.860 -10.799
98 HB2 PHE 10 HB2 PHE 10 15.139 -4.262 -7.980
99 HB3 PHE 10 HB3 PHE 10 16.842 -4.421 -8.395
100 HD1 PHE 10 HD1 PHE 10 17.961 -2.491 -7.871
101 HD2 PHE 10 HD2 PHE 10 14.107 -2.220 -9.657
102 HE1 PHE 10 HE1 PHE 10 18.171 -0.040 -7.946
103 HE2 PHE 10 HE2 PHE 10 14.312 0.230 -9.736
104 HZ PHE 10 HZ PHE 10 16.346 1.323 -8.880
105 H LEU 11 H LEU 11 16.139 -6.818 -8.929
106 HA LEU 11 HA LEU 11 18.628 -7.266 -10.251
107 HB2 LEU 11 HB2 LEU 11 18.871 -9.112 -8.886
108 HB3 LEU 11 HB3 LEU 11 17.854 -8.045 -7.920
109 HG LEU 11 HG LEU 11 16.837 -10.374 -9.547
110 HD11 LEU 11 HD11 LEU 11 18.103 -11.340 -7.825
111 HD12 LEU 11 HD12 LEU 11 16.445 -11.337 -7.224
112 HD13 LEU 11 HD13 LEU 11 17.592 -10.126 -6.651
113 HD21 LEU 11 HD21 LEU 11 15.490 -8.649 -7.470
114 HD22 LEU 11 HD22 LEU 11 14.773 -10.029 -8.303
115 HD23 LEU 11 HD23 LEU 11 15.205 -8.579 -9.210
116 H ARG 12 H ARG 12 19.009 -9.550 -11.228
117 HA ARG 12 HA ARG 12 17.529 -9.690 -13.633
118 HB2 ARG 12 HB2 ARG 12 19.766 -11.170 -12.398
119 HB3 ARG 12 HB3 ARG 12 18.814 -12.078 -13.565
120 HG2 ARG 12 HG2 ARG 12 19.154 -9.996 -15.076
121 HG3 ARG 12 HG3 ARG 12 20.489 -9.644 -13.976
122 HD2 ARG 12 HD2 ARG 12 21.613 -11.627 -14.530
123 HD3 ARG 12 HD3 ARG 12 20.176 -12.335 -15.267
124 HE ARG 12 HE ARG 12 20.640 -10.182 -16.819
125 HH11 ARG 12 HH11 ARG 12 22.671 -12.785 -15.714
126 HH12 ARG 12 HH12 ARG 12 23.690 -12.758 -17.115
127 HH21 ARG 12 HH21 ARG 12 21.975 -10.137 -18.669
128 HH22 ARG 12 HH22 ARG 12 23.293 -11.251 -18.795
Start of MODEL 8
1 H1 LYS 1 H LYS 1 2.043 0.338 -3.457
2 HA LYS 1 HA LYS 1 2.629 1.189 -0.703
3 HB2 LYS 1 HB2 LYS 1 0.589 -0.881 -1.538
4 HB3 LYS 1 HB3 LYS 1 1.071 -0.552 0.121
5 HG2 LYS 1 HG2 LYS 1 -0.324 1.346 -1.754
6 HG3 LYS 1 HG3 LYS 1 -1.026 0.531 -0.354
7 HD2 LYS 1 HD2 LYS 1 0.534 1.726 1.114
8 HD3 LYS 1 HD3 LYS 1 1.220 2.547 -0.290
9 HE2 LYS 1 HE2 LYS 1 -1.581 2.787 0.794
10 HE3 LYS 1 HE3 LYS 1 -0.335 4.034 0.755
11 HZ1 LYS 1 HZ1 LYS 1 -1.672 4.560 -1.036
12 HZ2 LYS 1 HZ2 LYS 1 -1.931 2.947 -1.472
13 HZ3 LYS 1 HZ3 LYS 1 -0.433 3.674 -1.772
14 H ARG 2 H ARG 2 2.448 -1.604 -2.903
15 HA ARG 2 HA ARG 2 4.444 -3.023 -1.340
16 HB2 ARG 2 HB2 ARG 2 2.663 -3.707 -3.642
17 HB3 ARG 2 HB3 ARG 2 4.104 -4.678 -3.367
18 HG2 ARG 2 HG2 ARG 2 2.187 -4.153 -1.135
19 HG3 ARG 2 HG3 ARG 2 1.862 -5.415 -2.325
20 HD2 ARG 2 HD2 ARG 2 3.033 -6.679 -0.859
21 HD3 ARG 2 HD3 ARG 2 4.406 -6.009 -1.738
22 HE ARG 2 HE ARG 2 3.888 -4.230 0.293
23 HH11 ARG 2 HH11 ARG 2 4.699 -7.606 0.047
24 HH12 ARG 2 HH12 ARG 2 5.531 -7.651 1.566
25 HH21 ARG 2 HH21 ARG 2 4.980 -4.276 2.295
26 HH22 ARG 2 HH22 ARG 2 5.689 -5.757 2.844
27 H ILE 3 H ILE 3 6.528 -2.630 -1.642
28 HA ILE 3 HA ILE 3 7.441 -1.597 -4.225
29 HB ILE 3 HB ILE 3 9.655 -1.383 -2.832
30 HG12 ILE 3 HG12 ILE 3 9.255 -1.000 -0.450
31 HG13 ILE 3 HG13 ILE 3 7.553 -1.402 -0.654
32 HG21 ILE 3 HG21 ILE 3 7.235 0.381 -2.513
33 HG22 ILE 3 HG22 ILE 3 8.861 0.843 -2.011
34 HG23 ILE 3 HG23 ILE 3 8.521 0.522 -3.711
35 HD11 ILE 3 HD11 ILE 3 9.299 -3.149 0.255
36 HD12 ILE 3 HD12 ILE 3 7.957 -3.635 -0.782
37 HD13 ILE 3 HD13 ILE 3 9.568 -3.420 -1.466
38 H VAL 4 H VAL 4 7.116 -4.518 -2.731
39 HA VAL 4 HA VAL 4 9.552 -5.824 -3.158
40 HB VAL 4 HB VAL 4 8.319 -7.904 -3.088
41 HG11 VAL 4 HG11 VAL 4 8.632 -6.819 -0.968
42 HG12 VAL 4 HG12 VAL 4 7.204 -5.814 -1.223
43 HG13 VAL 4 HG13 VAL 4 7.030 -7.555 -0.994
44 HG21 VAL 4 HG21 VAL 4 6.507 -7.501 -4.566
45 HG22 VAL 4 HG22 VAL 4 5.801 -7.823 -2.982
46 HG23 VAL 4 HG23 VAL 4 5.910 -6.167 -3.579
47 H GLN 5 H GLN 5 6.970 -4.991 -5.358
48 HA GLN 5 HA GLN 5 7.702 -6.714 -7.479
49 HB2 GLN 5 HB2 GLN 5 6.269 -5.334 -8.866
50 HB3 GLN 5 HB3 GLN 5 5.497 -5.612 -7.310
51 HG2 GLN 5 HG2 GLN 5 6.097 -3.402 -6.566
52 HG3 GLN 5 HG3 GLN 5 7.009 -3.118 -8.048
53 HE21 GLN 5 HE21 GLN 5 5.868 -2.892 -10.015
54 HE22 GLN 5 HE22 GLN 5 4.208 -2.416 -10.030
55 H ARG 6 H ARG 6 9.029 -3.775 -6.295
56 HA ARG 6 HA ARG 6 10.334 -3.015 -8.743
57 HB2 ARG 6 HB2 ARG 6 10.887 -2.082 -5.921
58 HB3 ARG 6 HB3 ARG 6 11.422 -1.301 -7.403
59 HG2 ARG 6 HG2 ARG 6 8.534 -1.669 -6.645
60 HG3 ARG 6 HG3 ARG 6 9.474 -0.215 -6.305
61 HD2 ARG 6 HD2 ARG 6 9.144 -1.352 -9.072
62 HD3 ARG 6 HD3 ARG 6 8.046 -0.153 -8.389
63 HE ARG 6 HE ARG 6 10.662 0.799 -8.128
64 HH11 ARG 6 HH11 ARG 6 8.341 0.078 -10.621
65 HH12 ARG 6 HH12 ARG 6 8.960 1.265 -11.721
66 HH21 ARG 6 HH21 ARG 6 11.485 2.365 -9.568
67 HH22 ARG 6 HH22 ARG 6 10.749 2.564 -11.122
68 H ILE 7 H ILE 7 11.470 -4.277 -5.608
69 HA ILE 7 HA ILE 7 14.143 -4.661 -6.435
70 HB ILE 7 HB ILE 7 12.612 -6.005 -4.205
71 HG12 ILE 7 HG12 ILE 7 14.279 -4.304 -2.973
72 HG13 ILE 7 HG13 ILE 7 14.070 -3.429 -4.486
73 HG21 ILE 7 HG21 ILE 7 14.501 -7.365 -4.712
74 HG22 ILE 7 HG22 ILE 7 15.555 -5.957 -4.838
75 HG23 ILE 7 HG23 ILE 7 14.898 -6.430 -3.271
76 HD11 ILE 7 HD11 ILE 7 12.471 -3.138 -2.356
77 HD12 ILE 7 HD12 ILE 7 11.944 -2.873 -4.018
78 HD13 ILE 7 HD13 ILE 7 11.602 -4.407 -3.218
79 H LYS 8 H LYS 8 11.465 -6.979 -6.043
80 HA LYS 8 HA LYS 8 12.752 -9.285 -6.841
81 HB2 LYS 8 HB2 LYS 8 10.619 -10.227 -7.221
82 HB3 LYS 8 HB3 LYS 8 10.378 -9.022 -5.963
83 HG2 LYS 8 HG2 LYS 8 8.624 -8.475 -7.271
84 HG3 LYS 8 HG3 LYS 8 9.850 -7.504 -8.089
85 HD2 LYS 8 HD2 LYS 8 9.858 -8.825 -9.927
86 HD3 LYS 8 HD3 LYS 8 9.599 -10.302 -8.995
87 HE2 LYS 8 HE2 LYS 8 7.604 -10.109 -10.137
88 HE3 LYS 8 HE3 LYS 8 7.221 -9.316 -8.610
89 HZ1 LYS 8 HZ1 LYS 8 6.425 -7.841 -10.173
90 HZ2 LYS 8 HZ2 LYS 8 7.700 -8.106 -11.252
91 HZ3 LYS 8 HZ3 LYS 8 7.957 -7.198 -9.848
92 H ASP 9 H ASP 9 11.602 -6.626 -8.780
93 HA ASP 9 HA ASP 9 12.044 -8.069 -11.268
94 HB2 ASP 9 HB2 ASP 9 10.151 -6.360 -10.807
95 HB3 ASP 9 HB3 ASP 9 11.395 -5.141 -11.067
96 H PHE 10 H PHE 10 13.599 -5.698 -9.248
97 HA PHE 10 HA PHE 10 15.438 -4.688 -11.138
98 HB2 PHE 10 HB2 PHE 10 14.920 -4.388 -8.335
99 HB3 PHE 10 HB3 PHE 10 16.645 -4.647 -8.573
100 HD1 PHE 10 HD1 PHE 10 18.005 -3.017 -9.686
101 HD2 PHE 10 HD2 PHE 10 13.804 -2.447 -9.299
102 HE1 PHE 10 HE1 PHE 10 18.267 -0.661 -10.342
103 HE2 PHE 10 HE2 PHE 10 14.060 -0.090 -9.956
104 HZ PHE 10 HZ PHE 10 16.294 0.807 -10.477
105 H LEU 11 H LEU 11 15.341 -7.604 -9.265
106 HA LEU 11 HA LEU 11 18.136 -8.222 -9.792
107 HB2 LEU 11 HB2 LEU 11 15.973 -9.383 -8.121
108 HB3 LEU 11 HB3 LEU 11 17.255 -10.461 -8.668
109 HG LEU 11 HG LEU 11 18.678 -8.362 -7.648
110 HD11 LEU 11 HD11 LEU 11 16.078 -8.580 -6.192
111 HD12 LEU 11 HD12 LEU 11 16.996 -7.143 -6.638
112 HD13 LEU 11 HD13 LEU 11 17.555 -8.171 -5.320
113 HD21 LEU 11 HD21 LEU 11 19.452 -9.901 -6.148
114 HD22 LEU 11 HD22 LEU 11 18.659 -10.977 -7.299
115 HD23 LEU 11 HD23 LEU 11 17.844 -10.535 -5.797
116 H ARG 12 H ARG 12 18.568 -10.544 -10.554
117 HA ARG 12 HA ARG 12 16.976 -10.979 -12.980
118 HB2 ARG 12 HB2 ARG 12 19.784 -11.797 -12.233
119 HB3 ARG 12 HB3 ARG 12 18.967 -12.372 -13.681
120 HG2 ARG 12 HG2 ARG 12 18.658 -9.926 -14.293
121 HG3 ARG 12 HG3 ARG 12 19.819 -9.576 -13.010
122 HD2 ARG 12 HD2 ARG 12 21.481 -10.967 -14.102
123 HD3 ARG 12 HD3 ARG 12 20.319 -11.409 -15.352
124 HE ARG 12 HE ARG 12 20.683 -8.585 -15.176
125 HH11 ARG 12 HH11 ARG 12 22.072 -11.520 -16.432
126 HH12 ARG 12 HH12 ARG 12 22.906 -10.726 -17.725
127 HH21 ARG 12 HH21 ARG 12 21.777 -7.528 -16.875
128 HH22 ARG 12 HH22 ARG 12 22.738 -8.455 -17.976
Start of MODEL 9
1 H1 LYS 1 H LYS 1 2.011 0.592 1.645
2 HA LYS 1 HA LYS 1 1.248 -0.438 -0.995
3 HB2 LYS 1 HB2 LYS 1 2.242 2.053 -0.126
4 HB3 LYS 1 HB3 LYS 1 3.540 1.306 -1.048
5 HG2 LYS 1 HG2 LYS 1 0.720 1.652 -2.043
6 HG3 LYS 1 HG3 LYS 1 2.058 2.744 -2.404
7 HD2 LYS 1 HD2 LYS 1 2.436 -0.154 -2.948
8 HD3 LYS 1 HD3 LYS 1 1.386 0.761 -4.032
9 HE2 LYS 1 HE2 LYS 1 4.158 1.677 -3.310
10 HE3 LYS 1 HE3 LYS 1 3.843 0.600 -4.670
11 HZ1 LYS 1 HZ1 LYS 1 2.856 3.371 -4.301
12 HZ2 LYS 1 HZ2 LYS 1 2.273 2.333 -5.503
13 HZ3 LYS 1 HZ3 LYS 1 3.900 2.799 -5.504
14 H ARG 2 H ARG 2 2.299 -2.105 -1.845
15 HA ARG 2 HA ARG 2 4.661 -3.137 -0.505
16 HB2 ARG 2 HB2 ARG 2 2.728 -4.195 -2.524
17 HB3 ARG 2 HB3 ARG 2 4.320 -4.934 -2.407
18 HG2 ARG 2 HG2 ARG 2 2.849 -4.558 0.127
19 HG3 ARG 2 HG3 ARG 2 2.213 -5.762 -0.995
20 HD2 ARG 2 HD2 ARG 2 5.129 -5.729 -0.352
21 HD3 ARG 2 HD3 ARG 2 3.992 -6.437 0.793
22 HE ARG 2 HE ARG 2 3.697 -7.401 -1.903
23 HH11 ARG 2 HH11 ARG 2 5.335 -7.823 1.140
24 HH12 ARG 2 HH12 ARG 2 5.696 -9.494 0.862
25 HH21 ARG 2 HH21 ARG 2 4.167 -9.601 -2.281
26 HH22 ARG 2 HH22 ARG 2 5.032 -10.504 -1.084
27 H ILE 3 H ILE 3 6.610 -2.470 -1.091
28 HA ILE 3 HA ILE 3 7.033 -1.465 -3.808
29 HB ILE 3 HB ILE 3 9.346 -0.863 -2.727
30 HG12 ILE 3 HG12 ILE 3 9.193 -0.407 -0.329
31 HG13 ILE 3 HG13 ILE 3 7.557 -1.056 -0.293
32 HG21 ILE 3 HG21 ILE 3 6.994 0.498 -3.207
33 HG22 ILE 3 HG22 ILE 3 7.386 0.921 -1.541
34 HG23 ILE 3 HG23 ILE 3 8.557 1.220 -2.826
35 HD11 ILE 3 HD11 ILE 3 9.641 -2.484 0.445
36 HD12 ILE 3 HD12 ILE 3 8.267 -3.213 -0.387
37 HD13 ILE 3 HD13 ILE 3 9.730 -2.812 -1.286
38 H VAL 4 H VAL 4 7.331 -4.314 -2.175
39 HA VAL 4 HA VAL 4 9.852 -5.301 -2.830
40 HB VAL 4 HB VAL 4 8.318 -6.489 -1.338
41 HG11 VAL 4 HG11 VAL 4 6.210 -6.138 -2.392
42 HG12 VAL 4 HG12 VAL 4 6.738 -6.966 -3.859
43 HG13 VAL 4 HG13 VAL 4 6.501 -7.877 -2.367
44 HG21 VAL 4 HG21 VAL 4 8.812 -8.729 -2.064
45 HG22 VAL 4 HG22 VAL 4 9.021 -8.188 -3.730
46 HG23 VAL 4 HG23 VAL 4 10.167 -7.684 -2.489
47 H GLN 5 H GLN 5 7.070 -4.751 -4.822
48 HA GLN 5 HA GLN 5 7.761 -6.486 -6.957
49 HB2 GLN 5 HB2 GLN 5 6.145 -5.162 -8.271
50 HB3 GLN 5 HB3 GLN 5 5.493 -5.659 -6.715
51 HG2 GLN 5 HG2 GLN 5 5.682 -3.493 -5.823
52 HG3 GLN 5 HG3 GLN 5 6.719 -2.956 -7.144
53 HE21 GLN 5 HE21 GLN 5 5.484 -3.616 -9.367
54 HE22 GLN 5 HE22 GLN 5 3.913 -2.906 -9.472
55 H ARG 6 H ARG 6 8.810 -3.329 -6.003
56 HA ARG 6 HA ARG 6 9.887 -2.581 -8.555
57 HB2 ARG 6 HB2 ARG 6 10.361 -1.471 -5.784
58 HB3 ARG 6 HB3 ARG 6 10.985 -0.754 -7.264
59 HG2 ARG 6 HG2 ARG 6 8.059 -1.241 -7.035
60 HG3 ARG 6 HG3 ARG 6 8.774 0.116 -6.162
61 HD2 ARG 6 HD2 ARG 6 9.379 -0.305 -9.062
62 HD3 ARG 6 HD3 ARG 6 7.873 0.470 -8.572
63 HE ARG 6 HE ARG 6 10.129 1.660 -7.308
64 HH11 ARG 6 HH11 ARG 6 8.347 1.536 -10.296
65 HH12 ARG 6 HH12 ARG 6 8.825 3.124 -10.798
66 HH21 ARG 6 HH21 ARG 6 10.764 3.752 -7.957
67 HH22 ARG 6 HH22 ARG 6 10.200 4.383 -9.467
68 H ILE 7 H ILE 7 10.998 -4.370 -5.803
69 HA ILE 7 HA ILE 7 13.772 -4.286 -6.714
70 HB ILE 7 HB ILE 7 12.574 -5.621 -4.284
71 HG12 ILE 7 HG12 ILE 7 14.126 -3.688 -3.278
72 HG13 ILE 7 HG13 ILE 7 13.713 -2.922 -4.808
73 HG21 ILE 7 HG21 ILE 7 14.483 -6.826 -4.497
74 HG22 ILE 7 HG22 ILE 7 15.294 -5.582 -5.445
75 HG23 ILE 7 HG23 ILE 7 15.167 -5.413 -3.694
76 HD11 ILE 7 HD11 ILE 7 12.236 -2.837 -2.498
77 HD12 ILE 7 HD12 ILE 7 11.660 -2.436 -4.116
78 HD13 ILE 7 HD13 ILE 7 11.403 -4.054 -3.465
79 H LYS 8 H LYS 8 11.367 -6.771 -5.836
80 HA LYS 8 HA LYS 8 12.731 -9.005 -6.711
81 HB2 LYS 8 HB2 LYS 8 10.649 -10.145 -6.731
82 HB3 LYS 8 HB3 LYS 8 10.525 -8.923 -5.472
83 HG2 LYS 8 HG2 LYS 8 8.539 -8.544 -6.464
84 HG3 LYS 8 HG3 LYS 8 9.523 -7.527 -7.519
85 HD2 LYS 8 HD2 LYS 8 9.356 -8.959 -9.279
86 HD3 LYS 8 HD3 LYS 8 9.283 -10.390 -8.248
87 HE2 LYS 8 HE2 LYS 8 6.983 -9.919 -7.689
88 HE3 LYS 8 HE3 LYS 8 7.042 -8.399 -8.579
89 HZ1 LYS 8 HZ1 LYS 8 7.719 -10.004 -10.521
90 HZ2 LYS 8 HZ2 LYS 8 6.095 -9.741 -10.132
91 HZ3 LYS 8 HZ3 LYS 8 6.877 -11.140 -9.591
92 H ASP 9 H ASP 9 11.029 -6.594 -8.571
93 HA ASP 9 HA ASP 9 11.182 -8.143 -11.021
94 HB2 ASP 9 HB2 ASP 9 9.279 -6.538 -10.377
95 HB3 ASP 9 HB3 ASP 9 10.391 -5.244 -10.815
96 H PHE 10 H PHE 10 12.910 -5.589 -9.407
97 HA PHE 10 HA PHE 10 14.335 -4.528 -11.571
98 HB2 PHE 10 HB2 PHE 10 14.386 -4.316 -8.714
99 HB3 PHE 10 HB3 PHE 10 16.034 -4.507 -9.301
100 HD1 PHE 10 HD1 PHE 10 17.059 -2.451 -9.258
101 HD2 PHE 10 HD2 PHE 10 13.075 -2.745 -10.727
102 HE1 PHE 10 HE1 PHE 10 17.115 -0.070 -9.876
103 HE2 PHE 10 HE2 PHE 10 13.125 -0.365 -11.348
104 HZ PHE 10 HZ PHE 10 15.147 0.976 -10.924
105 H LEU 11 H LEU 11 15.124 -7.209 -9.385
106 HA LEU 11 HA LEU 11 17.659 -7.793 -10.424
107 HB2 LEU 11 HB2 LEU 11 15.618 -9.299 -8.869
108 HB3 LEU 11 HB3 LEU 11 16.959 -10.194 -9.580
109 HG LEU 11 HG LEU 11 18.389 -8.346 -8.345
110 HD11 LEU 11 HD11 LEU 11 16.612 -7.004 -7.504
111 HD12 LEU 11 HD12 LEU 11 17.325 -7.856 -6.135
112 HD13 LEU 11 HD13 LEU 11 15.796 -8.408 -6.817
113 HD21 LEU 11 HD21 LEU 11 18.261 -10.882 -8.024
114 HD22 LEU 11 HD22 LEU 11 17.167 -10.529 -6.687
115 HD23 LEU 11 HD23 LEU 11 18.819 -9.911 -6.662
116 H ARG 12 H ARG 12 18.222 -9.833 -11.609
117 HA ARG 12 HA ARG 12 16.258 -10.396 -13.731
118 HB2 ARG 12 HB2 ARG 12 18.400 -10.755 -15.166
119 HB3 ARG 12 HB3 ARG 12 17.812 -9.121 -14.887
120 HG2 ARG 12 HG2 ARG 12 20.194 -9.156 -14.631
121 HG3 ARG 12 HG3 ARG 12 19.452 -8.887 -13.052
122 HD2 ARG 12 HD2 ARG 12 19.801 -11.184 -12.437
123 HD3 ARG 12 HD3 ARG 12 20.373 -11.574 -14.059
124 HE ARG 12 HE ARG 12 21.870 -10.320 -11.941
125 HH11 ARG 12 HH11 ARG 12 21.611 -10.827 -15.376
126 HH12 ARG 12 HH12 ARG 12 23.290 -10.525 -15.679
127 HH21 ARG 12 HH21 ARG 12 24.082 -9.921 -12.327
128 HH22 ARG 12 HH22 ARG 12 24.695 -10.011 -13.944
Start of MODEL 10
1 H1 LYS 1 H LYS 1 2.675 0.652 1.485
2 HA LYS 1 HA LYS 1 1.500 0.048 -1.054
3 HB2 LYS 1 HB2 LYS 1 2.234 2.545 -1.107
4 HB3 LYS 1 HB3 LYS 1 3.864 1.893 -1.213
5 HG2 LYS 1 HG2 LYS 1 3.266 2.247 -3.426
6 HG3 LYS 1 HG3 LYS 1 2.971 0.523 -3.191
7 HD2 LYS 1 HD2 LYS 1 0.560 1.408 -2.531
8 HD3 LYS 1 HD3 LYS 1 1.042 2.753 -3.568
9 HE2 LYS 1 HE2 LYS 1 0.043 1.336 -5.085
10 HE3 LYS 1 HE3 LYS 1 1.735 0.859 -5.221
11 HZ1 LYS 1 HZ1 LYS 1 1.221 -0.924 -3.571
12 HZ2 LYS 1 HZ2 LYS 1 0.454 -1.108 -5.067
13 HZ3 LYS 1 HZ3 LYS 1 -0.418 -0.537 -3.735
14 H ARG 2 H ARG 2 2.577 -1.576 -2.084
15 HA ARG 2 HA ARG 2 4.779 -2.783 -0.623
16 HB2 ARG 2 HB2 ARG 2 2.920 -3.691 -2.788
17 HB3 ARG 2 HB3 ARG 2 4.427 -4.557 -2.523
18 HG2 ARG 2 HG2 ARG 2 2.770 -4.029 -0.136
19 HG3 ARG 2 HG3 ARG 2 2.141 -5.192 -1.305
20 HD2 ARG 2 HD2 ARG 2 4.979 -5.387 -0.396
21 HD3 ARG 2 HD3 ARG 2 3.687 -5.988 0.642
22 HE ARG 2 HE ARG 2 3.556 -6.957 -2.063
23 HH11 ARG 2 HH11 ARG 2 4.902 -7.468 1.107
24 HH12 ARG 2 HH12 ARG 2 5.159 -9.164 0.867
25 HH21 ARG 2 HH21 ARG 2 3.889 -9.190 -2.390
26 HH22 ARG 2 HH22 ARG 2 4.584 -10.143 -1.123
27 H ILE 3 H ILE 3 6.801 -2.256 -1.093
28 HA ILE 3 HA ILE 3 7.449 -1.268 -3.773
29 HB ILE 3 HB ILE 3 9.734 -0.841 -2.557
30 HG12 ILE 3 HG12 ILE 3 9.479 -0.389 -0.168
31 HG13 ILE 3 HG13 ILE 3 7.801 -0.918 -0.230
32 HG21 ILE 3 HG21 ILE 3 7.541 0.946 -1.625
33 HG22 ILE 3 HG22 ILE 3 9.109 1.354 -2.318
34 HG23 ILE 3 HG23 ILE 3 7.815 0.756 -3.357
35 HD11 ILE 3 HD11 ILE 3 8.356 -3.120 -0.302
36 HD12 ILE 3 HD12 ILE 3 9.893 -2.822 -1.115
37 HD13 ILE 3 HD13 ILE 3 9.731 -2.497 0.611
38 H VAL 4 H VAL 4 7.448 -4.141 -2.153
39 HA VAL 4 HA VAL 4 9.924 -5.304 -2.673
40 HB VAL 4 HB VAL 4 8.224 -6.388 -1.286
41 HG11 VAL 4 HG11 VAL 4 6.352 -7.596 -2.376
42 HG12 VAL 4 HG12 VAL 4 6.228 -5.841 -2.518
43 HG13 VAL 4 HG13 VAL 4 6.769 -6.802 -3.894
44 HG21 VAL 4 HG21 VAL 4 8.638 -8.328 -3.503
45 HG22 VAL 4 HG22 VAL 4 10.057 -7.623 -2.728
46 HG23 VAL 4 HG23 VAL 4 8.886 -8.526 -1.768
47 H GLN 5 H GLN 5 7.291 -4.568 -4.812
48 HA GLN 5 HA GLN 5 8.019 -6.322 -6.925
49 HB2 GLN 5 HB2 GLN 5 6.547 -4.877 -8.313
50 HB3 GLN 5 HB3 GLN 5 5.780 -5.436 -6.832
51 HG2 GLN 5 HG2 GLN 5 6.036 -3.311 -5.801
52 HG3 GLN 5 HG3 GLN 5 7.068 -2.736 -7.109
53 HE21 GLN 5 HE21 GLN 5 3.922 -4.375 -6.950
54 HE22 GLN 5 HE22 GLN 5 3.087 -3.237 -7.946
55 H ARG 6 H ARG 6 9.138 -3.216 -5.884
56 HA ARG 6 HA ARG 6 10.338 -2.423 -8.346
57 HB2 ARG 6 HB2 ARG 6 10.897 -1.536 -5.510
58 HB3 ARG 6 HB3 ARG 6 11.531 -0.755 -6.952
59 HG2 ARG 6 HG2 ARG 6 8.596 -1.051 -6.364
60 HG3 ARG 6 HG3 ARG 6 9.554 0.369 -5.936
61 HD2 ARG 6 HD2 ARG 6 10.204 0.447 -8.408
62 HD3 ARG 6 HD3 ARG 6 8.876 -0.685 -8.665
63 HE ARG 6 HE ARG 6 7.866 1.448 -7.202
64 HH11 ARG 6 HH11 ARG 6 9.259 0.880 -10.341
65 HH12 ARG 6 HH12 ARG 6 8.384 2.165 -11.106
66 HH21 ARG 6 HH21 ARG 6 6.708 3.143 -8.197
67 HH22 ARG 6 HH22 ARG 6 6.935 3.453 -9.886
68 H ILE 7 H ILE 7 11.394 -4.272 -5.560
69 HA ILE 7 HA ILE 7 14.150 -4.349 -6.411
70 HB ILE 7 HB ILE 7 12.741 -5.945 -4.268
71 HG12 ILE 7 HG12 ILE 7 14.260 -4.280 -2.874
72 HG13 ILE 7 HG13 ILE 7 14.098 -3.283 -4.316
73 HG21 ILE 7 HG21 ILE 7 14.586 -7.199 -4.316
74 HG22 ILE 7 HG22 ILE 7 15.429 -6.064 -5.369
75 HG23 ILE 7 HG23 ILE 7 15.414 -5.803 -3.625
76 HD11 ILE 7 HD11 ILE 7 12.372 -3.318 -2.209
77 HD12 ILE 7 HD12 ILE 7 11.993 -2.737 -3.831
78 HD13 ILE 7 HD13 ILE 7 11.572 -4.385 -3.364
79 H LYS 8 H LYS 8 11.584 -6.799 -6.031
80 HA LYS 8 HA LYS 8 12.904 -8.954 -7.151
81 HB2 LYS 8 HB2 LYS 8 10.782 -9.980 -7.425
82 HB3 LYS 8 HB3 LYS 8 10.646 -8.946 -6.009
83 HG2 LYS 8 HG2 LYS 8 8.722 -8.352 -7.027
84 HG3 LYS 8 HG3 LYS 8 9.796 -7.222 -7.856
85 HD2 LYS 8 HD2 LYS 8 8.790 -8.122 -9.683
86 HD3 LYS 8 HD3 LYS 8 10.069 -9.322 -9.483
87 HE2 LYS 8 HE2 LYS 8 8.054 -10.528 -9.790
88 HE3 LYS 8 HE3 LYS 8 8.450 -10.643 -8.076
89 HZ1 LYS 8 HZ1 LYS 8 6.589 -8.599 -9.132
90 HZ2 LYS 8 HZ2 LYS 8 6.794 -9.095 -7.529
91 HZ3 LYS 8 HZ3 LYS 8 6.063 -10.132 -8.648
92 H ASP 9 H ASP 9 11.342 -6.248 -8.723
93 HA ASP 9 HA ASP 9 11.570 -7.433 -11.357
94 HB2 ASP 9 HB2 ASP 9 9.679 -5.903 -10.648
95 HB3 ASP 9 HB3 ASP 9 10.841 -4.580 -10.687
96 H PHE 10 H PHE 10 13.377 -5.324 -9.295
97 HA PHE 10 HA PHE 10 14.927 -3.994 -11.236
98 HB2 PHE 10 HB2 PHE 10 14.838 -4.175 -8.383
99 HB3 PHE 10 HB3 PHE 10 16.505 -4.390 -8.907
100 HD1 PHE 10 HD1 PHE 10 17.682 -2.444 -8.640
101 HD2 PHE 10 HD2 PHE 10 13.693 -2.251 -10.113
102 HE1 PHE 10 HE1 PHE 10 17.907 -0.009 -8.921
103 HE2 PHE 10 HE2 PHE 10 13.912 0.183 -10.397
104 HZ PHE 10 HZ PHE 10 16.021 1.307 -9.801
105 H LEU 11 H LEU 11 15.821 -6.768 -9.176
106 HA LEU 11 HA LEU 11 18.172 -7.341 -10.680
107 HB2 LEU 11 HB2 LEU 11 18.550 -9.063 -9.186
108 HB3 LEU 11 HB3 LEU 11 17.624 -7.908 -8.229
109 HG LEU 11 HG LEU 11 16.464 -10.366 -9.537
110 HD11 LEU 11 HD11 LEU 11 16.918 -11.577 -7.709
111 HD12 LEU 11 HD12 LEU 11 16.604 -10.229 -6.617
112 HD13 LEU 11 HD13 LEU 11 18.170 -10.370 -7.415
113 HD21 LEU 11 HD21 LEU 11 15.321 -8.453 -7.505
114 HD22 LEU 11 HD22 LEU 11 14.531 -9.902 -8.128
115 HD23 LEU 11 HD23 LEU 11 14.864 -8.545 -9.206
116 H ARG 12 H ARG 12 18.525 -9.602 -11.588
117 HA ARG 12 HA ARG 12 16.178 -10.376 -13.194
118 HB2 ARG 12 HB2 ARG 12 18.029 -11.224 -14.816
119 HB3 ARG 12 HB3 ARG 12 17.634 -9.511 -14.778
120 HG2 ARG 12 HG2 ARG 12 20.015 -9.770 -14.852
121 HG3 ARG 12 HG3 ARG 12 19.555 -9.141 -13.268
122 HD2 ARG 12 HD2 ARG 12 19.987 -11.161 -12.202
123 HD3 ARG 12 HD3 ARG 12 19.875 -12.085 -13.700
124 HE ARG 12 HE ARG 12 22.196 -10.751 -12.653
125 HH11 ARG 12 HH11 ARG 12 20.641 -11.969 -15.520
126 HH12 ARG 12 HH12 ARG 12 22.121 -12.155 -16.401
127 HH21 ARG 12 HH21 ARG 12 24.151 -10.992 -13.803
128 HH22 ARG 12 HH22 ARG 12 24.117 -11.600 -15.424
Start of MODEL 11
1 H1 LYS 1 H LYS 1 2.835 0.827 1.054
2 HA LYS 1 HA LYS 1 1.531 0.003 -1.430
3 HB2 LYS 1 HB2 LYS 1 2.365 2.447 -1.511
4 HB3 LYS 1 HB3 LYS 1 3.978 1.748 -1.537
5 HG2 LYS 1 HG2 LYS 1 3.606 1.962 -3.770
6 HG3 LYS 1 HG3 LYS 1 2.968 0.336 -3.517
7 HD2 LYS 1 HD2 LYS 1 0.734 1.663 -3.050
8 HD3 LYS 1 HD3 LYS 1 1.527 2.888 -4.043
9 HE2 LYS 1 HE2 LYS 1 1.718 1.388 -5.879
10 HE3 LYS 1 HE3 LYS 1 1.232 0.013 -4.888
11 HZ1 LYS 1 HZ1 LYS 1 -0.873 1.626 -4.603
12 HZ2 LYS 1 HZ2 LYS 1 -0.765 0.427 -5.790
13 HZ3 LYS 1 HZ3 LYS 1 -0.398 2.032 -6.175
14 H ARG 2 H ARG 2 2.744 -1.464 -2.688
15 HA ARG 2 HA ARG 2 4.657 -2.995 -1.127
16 HB2 ARG 2 HB2 ARG 2 3.322 -3.516 -3.786
17 HB3 ARG 2 HB3 ARG 2 4.482 -4.611 -3.045
18 HG2 ARG 2 HG2 ARG 2 2.107 -3.766 -1.466
19 HG3 ARG 2 HG3 ARG 2 1.901 -4.959 -2.750
20 HD2 ARG 2 HD2 ARG 2 4.061 -5.982 -1.536
21 HD3 ARG 2 HD3 ARG 2 3.315 -5.170 -0.160
22 HE ARG 2 HE ARG 2 1.353 -6.659 -1.495
23 HH11 ARG 2 HH11 ARG 2 4.222 -7.138 0.418
24 HH12 ARG 2 HH12 ARG 2 3.701 -8.664 1.052
25 HH21 ARG 2 HH21 ARG 2 0.656 -8.666 -0.666
26 HH22 ARG 2 HH22 ARG 2 1.673 -9.533 0.434
27 H ILE 3 H ILE 3 6.747 -2.538 -1.237
28 HA ILE 3 HA ILE 3 7.818 -1.250 -3.639
29 HB ILE 3 HB ILE 3 9.919 -1.127 -2.075
30 HG12 ILE 3 HG12 ILE 3 9.344 -0.981 0.297
31 HG13 ILE 3 HG13 ILE 3 7.672 -1.393 -0.066
32 HG21 ILE 3 HG21 ILE 3 7.489 0.579 -1.551
33 HG22 ILE 3 HG22 ILE 3 9.170 1.026 -1.264
34 HG23 ILE 3 HG23 ILE 3 8.593 0.775 -2.911
35 HD11 ILE 3 HD11 ILE 3 9.788 -3.287 -0.915
36 HD12 ILE 3 HD12 ILE 3 9.388 -3.187 0.800
37 HD13 ILE 3 HD13 ILE 3 8.138 -3.595 -0.375
38 H VAL 4 H VAL 4 7.406 -4.302 -2.547
39 HA VAL 4 HA VAL 4 9.930 -5.507 -2.912
40 HB VAL 4 HB VAL 4 8.759 -7.616 -3.055
41 HG11 VAL 4 HG11 VAL 4 7.689 -7.612 -0.953
42 HG12 VAL 4 HG12 VAL 4 8.907 -6.338 -0.870
43 HG13 VAL 4 HG13 VAL 4 7.210 -5.922 -1.113
44 HG21 VAL 4 HG21 VAL 4 6.970 -7.407 -4.474
45 HG22 VAL 4 HG22 VAL 4 6.140 -7.389 -2.918
46 HG23 VAL 4 HG23 VAL 4 6.449 -5.876 -3.770
47 H GLN 5 H GLN 5 7.434 -4.529 -5.140
48 HA GLN 5 HA GLN 5 8.231 -6.066 -7.365
49 HB2 GLN 5 HB2 GLN 5 6.974 -4.391 -8.697
50 HB3 GLN 5 HB3 GLN 5 6.061 -5.007 -7.326
51 HG2 GLN 5 HG2 GLN 5 6.615 -2.983 -6.061
52 HG3 GLN 5 HG3 GLN 5 7.494 -2.364 -7.458
53 HE21 GLN 5 HE21 GLN 5 5.869 -2.966 -9.525
54 HE22 GLN 5 HE22 GLN 5 4.361 -2.137 -9.372
55 H ARG 6 H ARG 6 9.545 -3.231 -5.908
56 HA ARG 6 HA ARG 6 10.992 -2.330 -8.217
57 HB2 ARG 6 HB2 ARG 6 10.835 -1.564 -5.346
58 HB3 ARG 6 HB3 ARG 6 12.284 -1.104 -6.229
59 HG2 ARG 6 HG2 ARG 6 10.824 0.731 -6.375
60 HG3 ARG 6 HG3 ARG 6 10.755 -0.065 -7.949
61 HD2 ARG 6 HD2 ARG 6 8.782 -1.285 -6.370
62 HD3 ARG 6 HD3 ARG 6 8.645 0.446 -6.067
63 HE ARG 6 HE ARG 6 8.831 -0.273 -8.854
64 HH11 ARG 6 HH11 ARG 6 6.716 0.290 -6.147
65 HH12 ARG 6 HH12 ARG 6 5.334 0.638 -7.132
66 HH21 ARG 6 HH21 ARG 6 7.019 0.183 -10.161
67 HH22 ARG 6 HH22 ARG 6 5.507 0.576 -9.415
68 H ILE 7 H ILE 7 11.821 -4.100 -5.253
69 HA ILE 7 HA ILE 7 14.567 -4.436 -5.988
70 HB ILE 7 HB ILE 7 12.908 -5.835 -3.888
71 HG12 ILE 7 HG12 ILE 7 14.523 -4.358 -2.441
72 HG13 ILE 7 HG13 ILE 7 14.665 -3.407 -3.915
73 HG21 ILE 7 HG21 ILE 7 15.352 -6.230 -2.991
74 HG22 ILE 7 HG22 ILE 7 14.609 -7.342 -4.140
75 HG23 ILE 7 HG23 ILE 7 15.753 -6.125 -4.705
76 HD11 ILE 7 HD11 ILE 7 12.867 -2.858 -2.078
77 HD12 ILE 7 HD12 ILE 7 12.523 -2.653 -3.796
78 HD13 ILE 7 HD13 ILE 7 11.946 -4.085 -2.945
79 H LYS 8 H LYS 8 11.819 -6.698 -5.754
80 HA LYS 8 HA LYS 8 13.042 -8.973 -6.719
81 HB2 LYS 8 HB2 LYS 8 10.886 -9.835 -7.148
82 HB3 LYS 8 HB3 LYS 8 10.678 -8.711 -5.811
83 HG2 LYS 8 HG2 LYS 8 8.932 -8.041 -7.075
84 HG3 LYS 8 HG3 LYS 8 10.177 -7.040 -7.825
85 HD2 LYS 8 HD2 LYS 8 9.308 -7.966 -9.711
86 HD3 LYS 8 HD3 LYS 8 10.472 -9.232 -9.313
87 HE2 LYS 8 HE2 LYS 8 8.496 -10.221 -7.928
88 HE3 LYS 8 HE3 LYS 8 7.502 -9.204 -8.970
89 HZ1 LYS 8 HZ1 LYS 8 7.641 -11.320 -9.982
90 HZ2 LYS 8 HZ2 LYS 8 9.320 -11.396 -9.792
91 HZ3 LYS 8 HZ3 LYS 8 8.642 -10.300 -10.888
92 H ASP 9 H ASP 9 11.904 -6.176 -8.477
93 HA ASP 9 HA ASP 9 12.317 -7.454 -11.055
94 HB2 ASP 9 HB2 ASP 9 10.426 -5.858 -10.649
95 HB3 ASP 9 HB3 ASP 9 11.616 -4.571 -10.471
96 H PHE 10 H PHE 10 13.959 -5.307 -8.874
97 HA PHE 10 HA PHE 10 15.768 -4.096 -10.630
98 HB2 PHE 10 HB2 PHE 10 15.412 -4.307 -7.794
99 HB3 PHE 10 HB3 PHE 10 17.110 -4.574 -8.177
100 HD1 PHE 10 HD1 PHE 10 18.263 -2.654 -7.653
101 HD2 PHE 10 HD2 PHE 10 14.552 -2.343 -9.713
102 HE1 PHE 10 HE1 PHE 10 18.594 -0.226 -7.876
103 HE2 PHE 10 HE2 PHE 10 14.877 0.085 -9.941
104 HZ PHE 10 HZ PHE 10 16.900 1.147 -9.020
105 H LEU 11 H LEU 11 16.295 -6.953 -8.558
106 HA LEU 11 HA LEU 11 18.762 -7.619 -9.831
107 HB2 LEU 11 HB2 LEU 11 18.912 -9.368 -8.332
108 HB3 LEU 11 HB3 LEU 11 17.948 -8.184 -7.452
109 HG LEU 11 HG LEU 11 16.819 -10.574 -8.908
110 HD11 LEU 11 HD11 LEU 11 17.595 -10.155 -6.039
111 HD12 LEU 11 HD12 LEU 11 18.028 -11.480 -7.119
112 HD13 LEU 11 HD13 LEU 11 16.376 -11.337 -6.516
113 HD21 LEU 11 HD21 LEU 11 15.279 -8.679 -8.709
114 HD22 LEU 11 HD22 LEU 11 15.557 -8.638 -6.967
115 HD23 LEU 11 HD23 LEU 11 14.774 -10.037 -7.703
116 H ARG 12 H ARG 12 19.097 -9.865 -10.758
117 HA ARG 12 HA ARG 12 17.090 -10.282 -12.838
118 HB2 ARG 12 HB2 ARG 12 19.952 -11.174 -12.521
119 HB3 ARG 12 HB3 ARG 12 18.907 -11.807 -13.786
120 HG2 ARG 12 HG2 ARG 12 19.239 -8.858 -13.473
121 HG3 ARG 12 HG3 ARG 12 20.484 -9.810 -14.284
122 HD2 ARG 12 HD2 ARG 12 17.594 -10.036 -15.055
123 HD3 ARG 12 HD3 ARG 12 18.619 -8.761 -15.712
124 HE ARG 12 HE ARG 12 19.829 -11.314 -16.011
125 HH11 ARG 12 HH11 ARG 12 17.364 -9.240 -17.330
126 HH12 ARG 12 HH12 ARG 12 17.441 -9.936 -18.914
127 HH21 ARG 12 HH21 ARG 12 19.940 -12.240 -18.093
128 HH22 ARG 12 HH22 ARG 12 18.907 -11.643 -19.347
Start of MODEL 12
1 H1 LYS 1 H LYS 1 3.785 2.094 -0.597
2 HA LYS 1 HA LYS 1 1.825 -0.098 -0.395
3 HB2 LYS 1 HB2 LYS 1 2.887 1.355 -2.821
4 HB3 LYS 1 HB3 LYS 1 1.929 -0.118 -2.913
5 HG2 LYS 1 HG2 LYS 1 0.832 2.161 -1.359
6 HG3 LYS 1 HG3 LYS 1 0.838 2.275 -3.121
7 HD2 LYS 1 HD2 LYS 1 -0.193 -0.201 -1.803
8 HD3 LYS 1 HD3 LYS 1 -1.213 1.238 -1.875
9 HE2 LYS 1 HE2 LYS 1 -0.935 1.295 -4.314
10 HE3 LYS 1 HE3 LYS 1 0.058 -0.159 -4.228
11 HZ1 LYS 1 HZ1 LYS 1 -1.729 -1.471 -3.888
12 HZ2 LYS 1 HZ2 LYS 1 -2.541 -0.222 -4.691
13 HZ3 LYS 1 HZ3 LYS 1 -2.579 -0.307 -3.001
14 H ARG 2 H ARG 2 2.438 -2.080 -1.636
15 HA ARG 2 HA ARG 2 4.766 -3.211 -0.689
16 HB2 ARG 2 HB2 ARG 2 2.945 -3.889 -2.968
17 HB3 ARG 2 HB3 ARG 2 4.430 -4.804 -2.744
18 HG2 ARG 2 HG2 ARG 2 2.482 -4.432 -0.500
19 HG3 ARG 2 HG3 ARG 2 2.276 -5.708 -1.701
20 HD2 ARG 2 HD2 ARG 2 3.484 -6.830 -0.111
21 HD3 ARG 2 HD3 ARG 2 4.788 -6.212 -1.125
22 HE ARG 2 HE ARG 2 5.482 -4.935 0.634
23 HH11 ARG 2 HH11 ARG 2 2.186 -5.906 1.189
24 HH12 ARG 2 HH12 ARG 2 2.125 -5.252 2.792
25 HH21 ARG 2 HH21 ARG 2 5.416 -4.069 2.743
26 HH22 ARG 2 HH22 ARG 2 3.963 -4.206 3.675
27 H ILE 3 H ILE 3 6.804 -2.669 -1.062
28 HA ILE 3 HA ILE 3 7.531 -1.466 -3.630
29 HB ILE 3 HB ILE 3 9.795 -1.192 -2.326
30 HG12 ILE 3 HG12 ILE 3 9.475 -0.931 0.086
31 HG13 ILE 3 HG13 ILE 3 7.793 -1.426 -0.068
32 HG21 ILE 3 HG21 ILE 3 9.196 0.990 -1.882
33 HG22 ILE 3 HG22 ILE 3 7.969 0.516 -3.055
34 HG23 ILE 3 HG23 ILE 3 7.579 0.547 -1.335
35 HD11 ILE 3 HD11 ILE 3 9.690 -3.098 0.685
36 HD12 ILE 3 HD12 ILE 3 8.321 -3.622 -0.296
37 HD13 ILE 3 HD13 ILE 3 9.875 -3.286 -1.059
38 H VAL 4 H VAL 4 7.352 -4.476 -2.417
39 HA VAL 4 HA VAL 4 9.853 -5.638 -2.930
40 HB VAL 4 HB VAL 4 7.200 -7.019 -3.317
41 HG11 VAL 4 HG11 VAL 4 9.233 -8.234 -4.021
42 HG12 VAL 4 HG12 VAL 4 9.868 -8.072 -2.383
43 HG13 VAL 4 HG13 VAL 4 8.404 -9.012 -2.674
44 HG21 VAL 4 HG21 VAL 4 8.660 -6.308 -0.789
45 HG22 VAL 4 HG22 VAL 4 6.975 -6.000 -1.208
46 HG23 VAL 4 HG23 VAL 4 7.512 -7.645 -0.868
47 H GLN 5 H GLN 5 7.214 -4.763 -5.046
48 HA GLN 5 HA GLN 5 7.968 -6.281 -7.297
49 HB2 GLN 5 HB2 GLN 5 6.588 -4.660 -8.579
50 HB3 GLN 5 HB3 GLN 5 5.763 -5.311 -7.168
51 HG2 GLN 5 HG2 GLN 5 5.888 -3.313 -6.009
52 HG3 GLN 5 HG3 GLN 5 7.222 -2.711 -6.993
53 HE21 GLN 5 HE21 GLN 5 6.762 -1.358 -8.585
54 HE22 GLN 5 HE22 GLN 5 5.186 -1.049 -9.222
55 H ARG 6 H ARG 6 9.219 -3.367 -5.932
56 HA ARG 6 HA ARG 6 10.496 -2.384 -8.287
57 HB2 ARG 6 HB2 ARG 6 10.978 -1.812 -5.359
58 HB3 ARG 6 HB3 ARG 6 11.774 -0.959 -6.674
59 HG2 ARG 6 HG2 ARG 6 8.806 -1.027 -6.172
60 HG3 ARG 6 HG3 ARG 6 9.892 0.307 -5.778
61 HD2 ARG 6 HD2 ARG 6 10.488 0.422 -8.207
62 HD3 ARG 6 HD3 ARG 6 9.214 -0.758 -8.513
63 HE ARG 6 HE ARG 6 8.064 1.323 -7.085
64 HH11 ARG 6 HH11 ARG 6 9.618 0.847 -10.164
65 HH12 ARG 6 HH12 ARG 6 8.731 2.108 -10.954
66 HH21 ARG 6 HH21 ARG 6 6.889 2.986 -8.115
67 HH22 ARG 6 HH22 ARG 6 7.180 3.324 -9.787
68 H ILE 7 H ILE 7 11.469 -4.458 -5.610
69 HA ILE 7 HA ILE 7 14.211 -4.614 -6.459
70 HB ILE 7 HB ILE 7 12.694 -6.323 -4.483
71 HG12 ILE 7 HG12 ILE 7 14.286 -4.874 -2.936
72 HG13 ILE 7 HG13 ILE 7 14.189 -3.745 -4.283
73 HG21 ILE 7 HG21 ILE 7 15.639 -6.109 -5.081
74 HG22 ILE 7 HG22 ILE 7 14.972 -6.905 -3.656
75 HG23 ILE 7 HG23 ILE 7 14.609 -7.529 -5.265
76 HD11 ILE 7 HD11 ILE 7 12.455 -3.842 -2.204
77 HD12 ILE 7 HD12 ILE 7 12.092 -3.157 -3.789
78 HD13 ILE 7 HD13 ILE 7 11.609 -4.810 -3.411
79 H LYS 8 H LYS 8 11.547 -6.985 -6.321
80 HA LYS 8 HA LYS 8 12.784 -9.083 -7.617
81 HB2 LYS 8 HB2 LYS 8 10.626 -9.983 -8.010
82 HB3 LYS 8 HB3 LYS 8 10.502 -9.063 -6.516
83 HG2 LYS 8 HG2 LYS 8 8.637 -8.283 -7.509
84 HG3 LYS 8 HG3 LYS 8 9.780 -7.161 -8.253
85 HD2 LYS 8 HD2 LYS 8 8.712 -7.894 -10.130
86 HD3 LYS 8 HD3 LYS 8 9.972 -9.125 -10.027
87 HE2 LYS 8 HE2 LYS 8 8.172 -10.345 -8.533
88 HE3 LYS 8 HE3 LYS 8 7.059 -9.322 -9.440
89 HZ1 LYS 8 HZ1 LYS 8 9.077 -11.058 -10.743
90 HZ2 LYS 8 HZ2 LYS 8 7.765 -10.274 -11.466
91 HZ3 LYS 8 HZ3 LYS 8 7.499 -11.571 -10.413
92 H ASP 9 H ASP 9 11.427 -6.161 -8.957
93 HA ASP 9 HA ASP 9 11.654 -7.124 -11.687
94 HB2 ASP 9 HB2 ASP 9 9.798 -5.596 -10.884
95 HB3 ASP 9 HB3 ASP 9 11.006 -4.317 -10.781
96 H PHE 10 H PHE 10 13.433 -5.180 -9.419
97 HA PHE 10 HA PHE 10 15.086 -3.769 -11.187
98 HB2 PHE 10 HB2 PHE 10 14.951 -4.255 -8.356
99 HB3 PHE 10 HB3 PHE 10 16.620 -4.395 -8.899
100 HD1 PHE 10 HD1 PHE 10 17.740 -2.473 -8.320
101 HD2 PHE 10 HD2 PHE 10 13.827 -2.169 -9.967
102 HE1 PHE 10 HE1 PHE 10 17.940 -0.021 -8.333
103 HE2 PHE 10 HE2 PHE 10 14.021 0.284 -9.984
104 HZ PHE 10 HZ PHE 10 16.079 1.361 -9.166
105 H LEU 11 H LEU 11 15.459 -6.966 -9.713
106 HA LEU 11 HA LEU 11 18.040 -7.515 -10.668
107 HB2 LEU 11 HB2 LEU 11 15.780 -9.081 -9.595
108 HB3 LEU 11 HB3 LEU 11 16.953 -9.975 -10.560
109 HG LEU 11 HG LEU 11 18.568 -8.593 -8.840
110 HD11 LEU 11 HD11 LEU 11 16.519 -9.654 -6.987
111 HD12 LEU 11 HD12 LEU 11 16.205 -8.082 -7.721
112 HD13 LEU 11 HD13 LEU 11 17.671 -8.335 -6.775
113 HD21 LEU 11 HD21 LEU 11 19.138 -10.670 -8.030
114 HD22 LEU 11 HD22 LEU 11 18.353 -11.096 -9.551
115 HD23 LEU 11 HD23 LEU 11 17.472 -11.248 -8.030
116 H ARG 12 H ARG 12 18.423 -9.439 -12.225
117 HA ARG 12 HA ARG 12 17.828 -8.644 -14.809
118 HB2 ARG 12 HB2 ARG 12 18.445 -11.470 -13.930
119 HB3 ARG 12 HB3 ARG 12 18.691 -10.791 -15.534
120 HG2 ARG 12 HG2 ARG 12 20.242 -9.112 -14.333
121 HG3 ARG 12 HG3 ARG 12 20.224 -10.290 -13.019
122 HD2 ARG 12 HD2 ARG 12 21.073 -10.785 -15.870
123 HD3 ARG 12 HD3 ARG 12 22.130 -10.679 -14.462
124 HE ARG 12 HE ARG 12 20.641 -12.953 -15.316
125 HH11 ARG 12 HH11 ARG 12 21.871 -11.310 -12.504
126 HH12 ARG 12 HH12 ARG 12 21.947 -12.746 -11.537
127 HH21 ARG 12 HH21 ARG 12 20.736 -14.851 -14.054
128 HH22 ARG 12 HH22 ARG 12 21.302 -14.760 -12.420
Start of MODEL 13
1 H1 LYS 1 H LYS 1 1.134 0.499 -4.021
2 HA LYS 1 HA LYS 1 2.951 1.797 -2.235
3 HB2 LYS 1 HB2 LYS 1 0.596 0.023 -2.001
4 HB3 LYS 1 HB3 LYS 1 1.748 -0.059 -0.674
5 HG2 LYS 1 HG2 LYS 1 0.256 1.557 0.031
6 HG3 LYS 1 HG3 LYS 1 1.570 2.514 -0.657
7 HD2 LYS 1 HD2 LYS 1 0.069 2.227 -2.849
8 HD3 LYS 1 HD3 LYS 1 -1.201 2.102 -1.628
9 HE2 LYS 1 HE2 LYS 1 -1.198 4.359 -1.881
10 HE3 LYS 1 HE3 LYS 1 0.073 4.233 -0.665
11 HZ1 LYS 1 HZ1 LYS 1 1.698 4.213 -2.513
12 HZ2 LYS 1 HZ2 LYS 1 0.822 5.656 -2.407
13 HZ3 LYS 1 HZ3 LYS 1 0.435 4.517 -3.597
14 H ARG 2 H ARG 2 2.325 -1.657 -2.889
15 HA ARG 2 HA ARG 2 4.417 -2.728 -1.447
16 HB2 ARG 2 HB2 ARG 2 2.520 -3.674 -3.288
17 HB3 ARG 2 HB3 ARG 2 4.081 -4.173 -3.924
18 HG2 ARG 2 HG2 ARG 2 3.198 -5.915 -2.534
19 HG3 ARG 2 HG3 ARG 2 4.603 -5.201 -1.740
20 HD2 ARG 2 HD2 ARG 2 3.392 -4.502 0.006
21 HD3 ARG 2 HD3 ARG 2 2.101 -3.890 -1.028
22 HE ARG 2 HE ARG 2 1.721 -6.552 -1.134
23 HH11 ARG 2 HH11 ARG 2 2.165 -4.340 1.518
24 HH12 ARG 2 HH12 ARG 2 1.203 -5.266 2.622
25 HH21 ARG 2 HH21 ARG 2 0.453 -7.780 0.311
26 HH22 ARG 2 HH22 ARG 2 0.231 -7.224 1.935
27 H ILE 3 H ILE 3 6.512 -2.293 -1.543
28 HA ILE 3 HA ILE 3 7.692 -1.436 -4.083
29 HB ILE 3 HB ILE 3 9.728 -1.054 -2.469
30 HG12 ILE 3 HG12 ILE 3 9.041 -0.485 -0.190
31 HG13 ILE 3 HG13 ILE 3 7.385 -0.957 -0.555
32 HG21 ILE 3 HG21 ILE 3 8.591 0.714 -3.660
33 HG22 ILE 3 HG22 ILE 3 7.270 0.690 -2.493
34 HG23 ILE 3 HG23 ILE 3 8.878 1.213 -1.993
35 HD11 ILE 3 HD11 ILE 3 7.846 -3.175 -0.428
36 HD12 ILE 3 HD12 ILE 3 9.515 -2.975 -0.962
37 HD13 ILE 3 HD13 ILE 3 9.063 -2.564 0.692
38 H VAL 4 H VAL 4 7.213 -4.256 -2.501
39 HA VAL 4 HA VAL 4 9.754 -5.497 -2.577
40 HB VAL 4 HB VAL 4 7.885 -6.405 -1.267
41 HG11 VAL 4 HG11 VAL 4 5.910 -7.112 -2.126
42 HG12 VAL 4 HG12 VAL 4 6.313 -5.936 -3.379
43 HG13 VAL 4 HG13 VAL 4 6.634 -7.651 -3.640
44 HG21 VAL 4 HG21 VAL 4 9.743 -7.863 -1.899
45 HG22 VAL 4 HG22 VAL 4 8.229 -8.762 -1.808
46 HG23 VAL 4 HG23 VAL 4 8.894 -8.311 -3.378
47 H GLN 5 H GLN 5 7.224 -5.059 -4.961
48 HA GLN 5 HA GLN 5 8.274 -6.919 -6.853
49 HB2 GLN 5 HB2 GLN 5 6.719 -5.814 -8.441
50 HB3 GLN 5 HB3 GLN 5 5.938 -6.321 -6.949
51 HG2 GLN 5 HG2 GLN 5 5.709 -4.145 -6.179
52 HG3 GLN 5 HG3 GLN 5 6.950 -3.527 -7.267
53 HE21 GLN 5 HE21 GLN 5 6.442 -3.455 -9.547
54 HE22 GLN 5 HE22 GLN 5 4.806 -3.215 -10.046
55 H ARG 6 H ARG 6 9.302 -3.893 -5.827
56 HA ARG 6 HA ARG 6 10.381 -2.992 -8.346
57 HB2 ARG 6 HB2 ARG 6 10.850 -2.002 -5.527
58 HB3 ARG 6 HB3 ARG 6 11.417 -1.204 -6.988
59 HG2 ARG 6 HG2 ARG 6 8.507 -1.764 -6.571
60 HG3 ARG 6 HG3 ARG 6 9.278 -0.343 -5.864
61 HD2 ARG 6 HD2 ARG 6 9.368 -1.042 -8.794
62 HD3 ARG 6 HD3 ARG 6 8.195 0.062 -8.076
63 HE ARG 6 HE ARG 6 10.944 0.612 -8.674
64 HH11 ARG 6 HH11 ARG 6 8.259 1.447 -6.621
65 HH12 ARG 6 HH12 ARG 6 8.843 3.043 -6.286
66 HH21 ARG 6 HH21 ARG 6 11.724 2.711 -8.240
67 HH22 ARG 6 HH22 ARG 6 10.814 3.761 -7.207
68 H ILE 7 H ILE 7 11.476 -4.805 -5.576
69 HA ILE 7 HA ILE 7 14.251 -4.721 -6.468
70 HB ILE 7 HB ILE 7 13.008 -6.096 -4.083
71 HG12 ILE 7 HG12 ILE 7 14.615 -4.208 -3.043
72 HG13 ILE 7 HG13 ILE 7 14.184 -3.408 -4.551
73 HG21 ILE 7 HG21 ILE 7 15.002 -7.264 -4.803
74 HG22 ILE 7 HG22 ILE 7 15.901 -5.748 -4.856
75 HG23 ILE 7 HG23 ILE 7 15.330 -6.380 -3.312
76 HD11 ILE 7 HD11 ILE 7 12.749 -3.329 -2.227
77 HD12 ILE 7 HD12 ILE 7 12.132 -2.939 -3.832
78 HD13 ILE 7 HD13 ILE 7 11.896 -4.554 -3.166
79 H LYS 8 H LYS 8 11.826 -7.223 -5.703
80 HA LYS 8 HA LYS 8 13.210 -9.437 -6.605
81 HB2 LYS 8 HB2 LYS 8 11.136 -10.579 -6.674
82 HB3 LYS 8 HB3 LYS 8 10.977 -9.374 -5.403
83 HG2 LYS 8 HG2 LYS 8 9.006 -9.013 -6.443
84 HG3 LYS 8 HG3 LYS 8 10.006 -7.950 -7.435
85 HD2 LYS 8 HD2 LYS 8 9.033 -9.123 -9.115
86 HD3 LYS 8 HD3 LYS 8 10.355 -10.242 -8.774
87 HE2 LYS 8 HE2 LYS 8 8.864 -11.511 -7.283
88 HE3 LYS 8 HE3 LYS 8 7.547 -10.407 -7.679
89 HZ1 LYS 8 HZ1 LYS 8 7.687 -12.597 -8.945
90 HZ2 LYS 8 HZ2 LYS 8 8.980 -11.903 -9.786
91 HZ3 LYS 8 HZ3 LYS 8 7.447 -11.190 -9.853
92 H ASP 9 H ASP 9 11.486 -7.005 -8.434
93 HA ASP 9 HA ASP 9 11.716 -8.487 -10.917
94 HB2 ASP 9 HB2 ASP 9 9.753 -6.986 -10.324
95 HB3 ASP 9 HB3 ASP 9 10.834 -5.620 -10.582
96 H PHE 10 H PHE 10 13.430 -6.038 -9.174
97 HA PHE 10 HA PHE 10 14.851 -4.857 -11.297
98 HB2 PHE 10 HB2 PHE 10 14.830 -4.698 -8.450
99 HB3 PHE 10 HB3 PHE 10 16.497 -4.917 -8.971
100 HD1 PHE 10 HD1 PHE 10 17.600 -2.907 -8.941
101 HD2 PHE 10 HD2 PHE 10 13.604 -3.045 -10.400
102 HE1 PHE 10 HE1 PHE 10 17.731 -0.519 -9.517
103 HE2 PHE 10 HE2 PHE 10 13.729 -0.657 -10.980
104 HZ PHE 10 HZ PHE 10 15.795 0.609 -10.538
105 H LEU 11 H LEU 11 15.600 -7.626 -9.217
106 HA LEU 11 HA LEU 11 18.170 -8.136 -10.250
107 HB2 LEU 11 HB2 LEU 11 16.158 -9.681 -8.698
108 HB3 LEU 11 HB3 LEU 11 17.491 -10.562 -9.441
109 HG LEU 11 HG LEU 11 18.783 -8.517 -8.147
110 HD11 LEU 11 HD11 LEU 11 17.665 -8.997 -5.770
111 HD12 LEU 11 HD12 LEU 11 16.223 -9.084 -6.781
112 HD13 LEU 11 HD13 LEU 11 17.213 -7.625 -6.782
113 HD21 LEU 11 HD21 LEU 11 19.034 -11.134 -8.247
114 HD22 LEU 11 HD22 LEU 11 18.237 -11.047 -6.676
115 HD23 LEU 11 HD23 LEU 11 19.761 -10.198 -6.940
116 H ARG 12 H ARG 12 18.655 -10.327 -11.352
117 HA ARG 12 HA ARG 12 17.017 -10.432 -13.779
118 HB2 ARG 12 HB2 ARG 12 19.852 -11.237 -13.169
119 HB3 ARG 12 HB3 ARG 12 19.035 -11.782 -14.628
120 HG2 ARG 12 HG2 ARG 12 18.586 -9.325 -15.106
121 HG3 ARG 12 HG3 ARG 12 19.759 -8.983 -13.833
122 HD2 ARG 12 HD2 ARG 12 21.461 -10.230 -15.033
123 HD3 ARG 12 HD3 ARG 12 20.291 -10.666 -16.278
124 HE ARG 12 HE ARG 12 20.521 -7.840 -15.962
125 HH11 ARG 12 HH11 ARG 12 22.017 -10.634 -17.403
126 HH12 ARG 12 HH12 ARG 12 22.778 -9.733 -18.672
127 HH21 ARG 12 HH21 ARG 12 21.517 -6.643 -17.629
128 HH22 ARG 12 HH22 ARG 12 22.494 -7.463 -18.799
Start of MODEL 14
1 H1 LYS 1 H LYS 1 1.575 0.761 -4.673
2 HA LYS 1 HA LYS 1 3.083 2.015 -2.550
3 HB2 LYS 1 HB2 LYS 1 0.744 0.176 -2.718
4 HB3 LYS 1 HB3 LYS 1 1.672 0.190 -1.225
5 HG2 LYS 1 HG2 LYS 1 0.683 2.742 -2.431
6 HG3 LYS 1 HG3 LYS 1 -0.373 1.735 -1.438
7 HD2 LYS 1 HD2 LYS 1 0.864 2.093 0.476
8 HD3 LYS 1 HD3 LYS 1 2.340 2.458 -0.422
9 HE2 LYS 1 HE2 LYS 1 -0.095 4.233 -0.371
10 HE3 LYS 1 HE3 LYS 1 1.290 4.428 0.701
11 HZ1 LYS 1 HZ1 LYS 1 1.044 5.627 -1.679
12 HZ2 LYS 1 HZ2 LYS 1 1.939 4.259 -2.113
13 HZ3 LYS 1 HZ3 LYS 1 2.527 5.313 -0.927
14 H ARG 2 H ARG 2 2.425 -1.411 -3.306
15 HA ARG 2 HA ARG 2 4.396 -2.528 -1.733
16 HB2 ARG 2 HB2 ARG 2 2.577 -3.439 -3.667
17 HB3 ARG 2 HB3 ARG 2 4.155 -3.992 -4.212
18 HG2 ARG 2 HG2 ARG 2 3.139 -5.689 -2.854
19 HG3 ARG 2 HG3 ARG 2 4.525 -5.013 -1.996
20 HD2 ARG 2 HD2 ARG 2 3.187 -4.635 -0.264
21 HD3 ARG 2 HD3 ARG 2 2.339 -3.441 -1.245
22 HE ARG 2 HE ARG 2 0.603 -4.923 -1.506
23 HH11 ARG 2 HH11 ARG 2 3.361 -6.575 -0.169
24 HH12 ARG 2 HH12 ARG 2 2.484 -8.027 0.184
25 HH21 ARG 2 HH21 ARG 2 -0.562 -6.829 -1.046
26 HH22 ARG 2 HH22 ARG 2 0.253 -8.171 -0.317
27 H ILE 3 H ILE 3 6.506 -2.159 -1.713
28 HA ILE 3 HA ILE 3 7.856 -1.372 -4.190
29 HB ILE 3 HB ILE 3 9.807 -1.033 -2.465
30 HG12 ILE 3 HG12 ILE 3 9.009 -0.414 -0.236
31 HG13 ILE 3 HG13 ILE 3 7.362 -0.839 -0.692
32 HG21 ILE 3 HG21 ILE 3 7.412 0.790 -2.641
33 HG22 ILE 3 HG22 ILE 3 9.010 1.265 -2.068
34 HG23 ILE 3 HG23 ILE 3 8.790 0.753 -3.741
35 HD11 ILE 3 HD11 ILE 3 7.744 -3.068 -0.513
36 HD12 ILE 3 HD12 ILE 3 9.446 -2.927 -0.953
37 HD13 ILE 3 HD13 ILE 3 8.914 -2.481 0.668
38 H VAL 4 H VAL 4 7.202 -4.154 -2.597
39 HA VAL 4 HA VAL 4 9.704 -5.472 -2.523
40 HB VAL 4 HB VAL 4 7.707 -6.281 -1.309
41 HG11 VAL 4 HG11 VAL 4 5.797 -6.989 -2.297
42 HG12 VAL 4 HG12 VAL 4 6.323 -5.883 -3.568
43 HG13 VAL 4 HG13 VAL 4 6.633 -7.613 -3.719
44 HG21 VAL 4 HG21 VAL 4 9.674 -7.774 -2.594
45 HG22 VAL 4 HG22 VAL 4 8.669 -8.289 -1.239
46 HG23 VAL 4 HG23 VAL 4 8.174 -8.653 -2.892
47 H GLN 5 H GLN 5 7.362 -4.924 -5.053
48 HA GLN 5 HA GLN 5 8.417 -6.873 -6.860
49 HB2 GLN 5 HB2 GLN 5 7.014 -5.693 -8.548
50 HB3 GLN 5 HB3 GLN 5 6.126 -6.189 -7.114
51 HG2 GLN 5 HG2 GLN 5 5.940 -4.010 -6.322
52 HG3 GLN 5 HG3 GLN 5 7.246 -3.426 -7.352
53 HE21 GLN 5 HE21 GLN 5 4.089 -5.020 -7.662
54 HE22 GLN 5 HE22 GLN 5 3.550 -4.070 -9.000
55 H ARG 6 H ARG 6 9.473 -3.837 -5.838
56 HA ARG 6 HA ARG 6 10.745 -3.031 -8.289
57 HB2 ARG 6 HB2 ARG 6 11.050 -2.037 -5.451
58 HB3 ARG 6 HB3 ARG 6 11.822 -1.301 -6.849
59 HG2 ARG 6 HG2 ARG 6 8.867 -1.657 -6.861
60 HG3 ARG 6 HG3 ARG 6 9.575 -0.360 -5.896
61 HD2 ARG 6 HD2 ARG 6 10.693 0.521 -7.868
62 HD3 ARG 6 HD3 ARG 6 10.056 -0.805 -8.840
63 HE ARG 6 HE ARG 6 7.960 0.636 -7.579
64 HH11 ARG 6 HH11 ARG 6 10.227 0.789 -10.217
65 HH12 ARG 6 HH12 ARG 6 9.227 1.818 -11.188
66 HH21 ARG 6 HH21 ARG 6 6.635 1.990 -8.848
67 HH22 ARG 6 HH22 ARG 6 7.184 2.501 -10.408
68 H ILE 7 H ILE 7 11.616 -4.855 -5.446
69 HA ILE 7 HA ILE 7 14.435 -4.891 -6.168
70 HB ILE 7 HB ILE 7 12.979 -6.240 -3.891
71 HG12 ILE 7 HG12 ILE 7 14.581 -4.454 -2.703
72 HG13 ILE 7 HG13 ILE 7 14.340 -3.616 -4.232
73 HG21 ILE 7 HG21 ILE 7 14.813 -7.574 -4.016
74 HG22 ILE 7 HG22 ILE 7 15.784 -6.351 -4.833
75 HG23 ILE 7 HG23 ILE 7 15.519 -6.248 -3.093
76 HD11 ILE 7 HD11 ILE 7 12.712 -3.442 -2.056
77 HD12 ILE 7 HD12 ILE 7 12.251 -3.042 -3.711
78 HD13 ILE 7 HD13 ILE 7 11.875 -4.634 -3.051
79 H LYS 8 H LYS 8 11.871 -7.306 -5.604
80 HA LYS 8 HA LYS 8 13.226 -9.559 -6.452
81 HB2 LYS 8 HB2 LYS 8 11.121 -10.620 -6.668
82 HB3 LYS 8 HB3 LYS 8 10.921 -9.422 -5.396
83 HG2 LYS 8 HG2 LYS 8 9.039 -8.978 -6.559
84 HG3 LYS 8 HG3 LYS 8 10.141 -7.943 -7.470
85 HD2 LYS 8 HD2 LYS 8 9.241 -9.062 -9.225
86 HD3 LYS 8 HD3 LYS 8 10.494 -10.233 -8.811
87 HE2 LYS 8 HE2 LYS 8 8.946 -11.587 -7.616
88 HE3 LYS 8 HE3 LYS 8 7.701 -10.341 -7.692
89 HZ1 LYS 8 HZ1 LYS 8 7.037 -11.710 -9.371
90 HZ2 LYS 8 HZ2 LYS 8 8.607 -12.190 -9.776
91 HZ3 LYS 8 HZ3 LYS 8 8.040 -10.668 -10.249
92 H ASP 9 H ASP 9 11.721 -7.035 -8.346
93 HA ASP 9 HA ASP 9 12.055 -8.490 -10.834
94 HB2 ASP 9 HB2 ASP 9 10.116 -6.917 -10.333
95 HB3 ASP 9 HB3 ASP 9 11.265 -5.594 -10.521
96 H PHE 10 H PHE 10 13.737 -6.126 -8.946
97 HA PHE 10 HA PHE 10 15.332 -4.959 -10.942
98 HB2 PHE 10 HB2 PHE 10 15.153 -4.882 -8.096
99 HB3 PHE 10 HB3 PHE 10 16.838 -5.144 -8.533
100 HD1 PHE 10 HD1 PHE 10 17.968 -3.157 -8.301
101 HD2 PHE 10 HD2 PHE 10 14.128 -3.149 -10.136
102 HE1 PHE 10 HE1 PHE 10 18.213 -0.759 -8.795
103 HE2 PHE 10 HE2 PHE 10 14.367 -0.751 -10.633
104 HZ PHE 10 HZ PHE 10 16.411 0.447 -9.963
105 H LEU 11 H LEU 11 15.980 -7.715 -8.788
106 HA LEU 11 HA LEU 11 18.539 -8.330 -9.685
107 HB2 LEU 11 HB2 LEU 11 16.346 -9.863 -8.392
108 HB3 LEU 11 HB3 LEU 11 17.703 -10.765 -9.064
109 HG LEU 11 HG LEU 11 19.047 -8.961 -7.597
110 HD11 LEU 11 HD11 LEU 11 16.379 -9.315 -6.254
111 HD12 LEU 11 HD12 LEU 11 17.193 -7.809 -6.678
112 HD13 LEU 11 HD13 LEU 11 17.841 -8.830 -5.394
113 HD21 LEU 11 HD21 LEU 11 19.661 -10.749 -6.363
114 HD22 LEU 11 HD22 LEU 11 18.737 -11.629 -7.581
115 HD23 LEU 11 HD23 LEU 11 17.997 -11.230 -6.030
116 H ARG 12 H ARG 12 19.014 -10.525 -10.826
117 HA ARG 12 HA ARG 12 17.475 -10.545 -13.337
118 HB2 ARG 12 HB2 ARG 12 20.384 -11.090 -12.769
119 HB3 ARG 12 HB3 ARG 12 19.618 -11.585 -14.273
120 HG2 ARG 12 HG2 ARG 12 19.478 -8.745 -13.339
121 HG3 ARG 12 HG3 ARG 12 20.888 -9.355 -14.208
122 HD2 ARG 12 HD2 ARG 12 19.492 -9.997 -16.082
123 HD3 ARG 12 HD3 ARG 12 18.046 -9.497 -15.206
124 HE ARG 12 HE ARG 12 19.556 -7.249 -15.264
125 HH11 ARG 12 HH11 ARG 12 18.450 -9.469 -17.706
126 HH12 ARG 12 HH12 ARG 12 18.383 -8.268 -18.953
127 HH21 ARG 12 HH21 ARG 12 19.471 -5.658 -16.897
128 HH22 ARG 12 HH22 ARG 12 18.965 -6.101 -18.492
Start of MODEL 15
1 H1 LYS 1 H LYS 1 0.651 -0.563 -3.872
2 HA LYS 1 HA LYS 1 2.170 1.430 -2.330
3 HB2 LYS 1 HB2 LYS 1 -0.098 0.265 -1.559
4 HB3 LYS 1 HB3 LYS 1 1.016 -0.990 -1.031
5 HG2 LYS 1 HG2 LYS 1 1.531 1.846 -0.267
6 HG3 LYS 1 HG3 LYS 1 0.308 0.912 0.598
7 HD2 LYS 1 HD2 LYS 1 1.845 -0.474 1.550
8 HD3 LYS 1 HD3 LYS 1 2.951 -0.369 0.179
9 HE2 LYS 1 HE2 LYS 1 2.505 2.078 1.806
10 HE3 LYS 1 HE3 LYS 1 3.477 0.786 2.509
11 HZ1 LYS 1 HZ1 LYS 1 5.041 0.943 0.793
12 HZ2 LYS 1 HZ2 LYS 1 4.699 2.548 1.200
13 HZ3 LYS 1 HZ3 LYS 1 4.021 1.866 -0.192
14 H ARG 2 H ARG 2 1.953 -2.116 -2.684
15 HA ARG 2 HA ARG 2 4.358 -2.794 -1.521
16 HB2 ARG 2 HB2 ARG 2 2.764 -4.061 -3.730
17 HB3 ARG 2 HB3 ARG 2 4.286 -4.765 -3.201
18 HG2 ARG 2 HG2 ARG 2 2.244 -4.126 -1.142
19 HG3 ARG 2 HG3 ARG 2 1.983 -5.526 -2.184
20 HD2 ARG 2 HD2 ARG 2 4.504 -6.011 -1.535
21 HD3 ARG 2 HD3 ARG 2 4.073 -5.041 -0.127
22 HE ARG 2 HE ARG 2 2.205 -7.151 -0.716
23 HH11 ARG 2 HH11 ARG 2 5.141 -6.290 0.946
24 HH12 ARG 2 HH12 ARG 2 5.012 -7.569 2.108
25 HH21 ARG 2 HH21 ARG 2 2.025 -8.838 0.808
26 HH22 ARG 2 HH22 ARG 2 3.240 -9.018 2.028
27 H ILE 3 H ILE 3 6.335 -2.090 -1.951
28 HA ILE 3 HA ILE 3 7.012 -1.263 -4.676
29 HB ILE 3 HB ILE 3 9.184 -0.512 -3.405
30 HG12 ILE 3 HG12 ILE 3 8.754 0.115 -1.078
31 HG13 ILE 3 HG13 ILE 3 7.144 -0.592 -1.170
32 HG21 ILE 3 HG21 ILE 3 6.823 1.147 -2.702
33 HG22 ILE 3 HG22 ILE 3 8.352 1.612 -3.446
34 HG23 ILE 3 HG23 ILE 3 7.116 0.798 -4.405
35 HD11 ILE 3 HD11 ILE 3 9.454 -2.338 -1.794
36 HD12 ILE 3 HD12 ILE 3 9.186 -1.881 -0.112
37 HD13 ILE 3 HD13 ILE 3 7.920 -2.718 -1.011
38 H VAL 4 H VAL 4 7.128 -4.024 -2.965
39 HA VAL 4 HA VAL 4 9.760 -4.959 -3.232
40 HB VAL 4 HB VAL 4 7.292 -6.683 -3.418
41 HG11 VAL 4 HG11 VAL 4 10.048 -7.229 -2.319
42 HG12 VAL 4 HG12 VAL 4 8.704 -8.371 -2.379
43 HG13 VAL 4 HG13 VAL 4 9.433 -7.787 -3.875
44 HG21 VAL 4 HG21 VAL 4 6.882 -5.355 -1.520
45 HG22 VAL 4 HG22 VAL 4 7.584 -6.847 -0.893
46 HG23 VAL 4 HG23 VAL 4 8.574 -5.393 -1.025
47 H GLN 5 H GLN 5 7.127 -4.739 -5.514
48 HA GLN 5 HA GLN 5 8.142 -6.522 -7.459
49 HB2 GLN 5 HB2 GLN 5 6.612 -5.323 -9.017
50 HB3 GLN 5 HB3 GLN 5 5.830 -5.865 -7.538
51 HG2 GLN 5 HG2 GLN 5 5.727 -3.692 -6.664
52 HG3 GLN 5 HG3 GLN 5 6.883 -3.075 -7.844
53 HE21 GLN 5 HE21 GLN 5 6.169 -2.357 -9.773
54 HE22 GLN 5 HE22 GLN 5 4.510 -2.338 -10.253
55 H ARG 6 H ARG 6 8.962 -3.288 -6.584
56 HA ARG 6 HA ARG 6 10.168 -2.531 -9.056
57 HB2 ARG 6 HB2 ARG 6 10.541 -1.447 -6.259
58 HB3 ARG 6 HB3 ARG 6 11.187 -0.702 -7.715
59 HG2 ARG 6 HG2 ARG 6 8.275 -1.109 -7.066
60 HG3 ARG 6 HG3 ARG 6 9.161 0.416 -7.005
61 HD2 ARG 6 HD2 ARG 6 9.707 -0.154 -9.501
62 HD3 ARG 6 HD3 ARG 6 8.281 -1.181 -9.368
63 HE ARG 6 HE ARG 6 8.318 1.646 -9.602
64 HH11 ARG 6 HH11 ARG 6 6.610 -0.979 -8.082
65 HH12 ARG 6 HH12 ARG 6 5.110 -0.117 -7.982
66 HH21 ARG 6 HH21 ARG 6 6.350 2.791 -9.476
67 HH22 ARG 6 HH22 ARG 6 4.963 2.027 -8.776
68 H ILE 7 H ILE 7 11.325 -4.020 -6.080
69 HA ILE 7 HA ILE 7 14.087 -3.947 -6.871
70 HB ILE 7 HB ILE 7 12.742 -5.519 -4.670
71 HG12 ILE 7 HG12 ILE 7 14.096 -3.660 -3.350
72 HG13 ILE 7 HG13 ILE 7 13.896 -2.771 -4.855
73 HG21 ILE 7 HG21 ILE 7 15.481 -5.467 -5.676
74 HG22 ILE 7 HG22 ILE 7 15.357 -5.164 -3.944
75 HG23 ILE 7 HG23 ILE 7 14.678 -6.639 -4.632
76 HD11 ILE 7 HD11 ILE 7 12.129 -2.776 -2.800
77 HD12 ILE 7 HD12 ILE 7 11.730 -2.386 -4.473
78 HD13 ILE 7 HD13 ILE 7 11.445 -4.013 -3.855
79 H LYS 8 H LYS 8 11.737 -6.592 -6.405
80 HA LYS 8 HA LYS 8 13.273 -8.683 -7.350
81 HB2 LYS 8 HB2 LYS 8 11.260 -9.907 -7.618
82 HB3 LYS 8 HB3 LYS 8 10.978 -8.798 -6.283
83 HG2 LYS 8 HG2 LYS 8 9.052 -8.450 -7.407
84 HG3 LYS 8 HG3 LYS 8 10.055 -7.283 -8.271
85 HD2 LYS 8 HD2 LYS 8 9.187 -8.392 -10.061
86 HD3 LYS 8 HD3 LYS 8 10.584 -9.427 -9.755
87 HE2 LYS 8 HE2 LYS 8 8.890 -10.978 -9.929
88 HE3 LYS 8 HE3 LYS 8 8.938 -10.706 -8.188
89 HZ1 LYS 8 HZ1 LYS 8 7.132 -9.117 -9.891
90 HZ2 LYS 8 HZ2 LYS 8 7.003 -9.473 -8.242
91 HZ3 LYS 8 HZ3 LYS 8 6.683 -10.671 -9.393
92 H ASP 9 H ASP 9 11.547 -6.222 -9.136
93 HA ASP 9 HA ASP 9 11.988 -7.539 -11.683
94 HB2 ASP 9 HB2 ASP 9 9.929 -6.157 -11.115
95 HB3 ASP 9 HB3 ASP 9 10.961 -4.736 -11.245
96 H PHE 10 H PHE 10 13.478 -5.120 -9.704
97 HA PHE 10 HA PHE 10 14.962 -3.752 -11.659
98 HB2 PHE 10 HB2 PHE 10 14.817 -3.830 -8.794
99 HB3 PHE 10 HB3 PHE 10 16.506 -3.852 -9.290
100 HD1 PHE 10 HD1 PHE 10 17.376 -1.746 -8.977
101 HD2 PHE 10 HD2 PHE 10 13.516 -2.152 -10.726
102 HE1 PHE 10 HE1 PHE 10 17.295 0.683 -9.355
103 HE2 PHE 10 HE2 PHE 10 13.430 0.278 -11.107
104 HZ PHE 10 HZ PHE 10 15.320 1.699 -10.420
105 H LEU 11 H LEU 11 16.045 -6.333 -9.446
106 HA LEU 11 HA LEU 11 18.496 -6.732 -10.848
107 HB2 LEU 11 HB2 LEU 11 18.990 -8.336 -9.261
108 HB3 LEU 11 HB3 LEU 11 17.920 -7.240 -8.389
109 HG LEU 11 HG LEU 11 17.062 -9.861 -9.612
110 HD11 LEU 11 HD11 LEU 11 18.439 -10.528 -7.875
111 HD12 LEU 11 HD12 LEU 11 16.857 -10.437 -7.101
112 HD13 LEU 11 HD13 LEU 11 18.025 -9.135 -6.875
113 HD21 LEU 11 HD21 LEU 11 15.040 -9.533 -8.295
114 HD22 LEU 11 HD22 LEU 11 15.276 -8.198 -9.424
115 HD23 LEU 11 HD23 LEU 11 15.655 -7.985 -7.714
116 H ARG 12 H ARG 12 19.078 -9.048 -11.565
117 HA ARG 12 HA ARG 12 17.109 -9.823 -13.570
118 HB2 ARG 12 HB2 ARG 12 18.891 -10.987 -14.666
119 HB3 ARG 12 HB3 ARG 12 19.506 -9.414 -14.176
120 HG2 ARG 12 HG2 ARG 12 21.245 -10.655 -13.465
121 HG3 ARG 12 HG3 ARG 12 20.228 -10.841 -12.035
122 HD2 ARG 12 HD2 ARG 12 19.274 -12.875 -13.442
123 HD3 ARG 12 HD3 ARG 12 20.870 -12.788 -14.186
124 HE ARG 12 HE ARG 12 20.241 -13.669 -11.519
125 HH11 ARG 12 HH11 ARG 12 22.707 -12.386 -13.615
126 HH12 ARG 12 HH12 ARG 12 24.019 -12.997 -12.662
127 HH21 ARG 12 HH21 ARG 12 21.959 -14.479 -10.256
128 HH22 ARG 12 HH22 ARG 12 23.592 -14.188 -10.752
Contact the webmaster for help, if required. Friday, May 31, 2024 11:17:10 PM GMT (wattos1)