Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
513532 | 2ldd RC | 17659 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 H1 ACE 0 10.152 2.770 -4.531
2 H2 ACE 0 H2 ACE 0 9.920 3.749 -5.978
3 H3 ACE 0 H3 ACE 0 9.820 1.989 -6.076
4 H GLU 1 HN GLU 1 7.735 2.756 -7.163
5 HA GLU 1 HA GLU 1 5.557 3.760 -5.630
6 HB2 GLU 1 HB2 GLU 1 5.944 3.877 -8.153
7 HB3 GLU 1 HB1 GLU 1 5.361 2.221 -8.226
8 HG2 GLU 1 HG2 GLU 1 3.540 3.611 -8.781
9 HG3 GLU 1 HG1 GLU 1 3.233 3.035 -7.140
10 H LYS 2 HN LYS 2 7.016 0.787 -5.385
11 HA LYS 2 HA LYS 2 4.801 -1.013 -5.274
12 HB2 LYS 2 HB2 LYS 2 7.265 -1.544 -5.745
13 HB3 LYS 2 HB1 LYS 2 7.482 -1.508 -3.998
14 HG2 LYS 2 HG2 LYS 2 5.843 -3.311 -3.744
15 HG3 LYS 2 HG1 LYS 2 5.597 -3.331 -5.495
16 HD2 LYS 2 HD2 LYS 2 7.956 -3.927 -5.809
17 HD3 LYS 2 HD1 LYS 2 8.179 -3.932 -4.060
18 HE2 LYS 2 HE2 LYS 2 6.477 -5.708 -3.884
19 HE3 LYS 2 HE1 LYS 2 6.343 -5.718 -5.639
20 HZ1 LYS 2 HZ1 LYS 2 8.689 -6.504 -4.003
21 HZ2 LYS 2 HZ2 LYS 2 8.782 -6.248 -5.674
22 HZ3 LYS 2 HZ3 LYS 2 7.785 -7.471 -5.064
23 H HIS 3 HN HIS 3 6.576 0.892 -2.839
24 HA HIS 3 HA HIS 3 5.549 -0.367 -0.524
25 HB2 HIS 3 HB2 HIS 3 7.685 1.050 -0.778
26 HB3 HIS 3 HB1 HIS 3 6.634 2.452 -0.646
27 HD1 HIS 3 HD1 HIS 3 4.952 2.036 1.688
28 HD2 HIS 3 HD2 HIS 3 8.841 0.566 1.610
29 HE1 HIS 3 HE1 HIS 3 5.583 1.682 4.092
30 HE2 HIS 3 HE2 HIS 3 7.985 0.886 4.024
31 H LYS 4 HN LYS 4 4.470 2.365 -2.513
32 HA LYS 4 HA LYS 4 2.539 3.459 -0.750
33 HB2 LYS 4 HB2 LYS 4 2.833 3.618 -3.746
34 HB3 LYS 4 HB1 LYS 4 1.620 4.525 -2.838
35 HG2 LYS 4 HG2 LYS 4 3.591 5.425 -1.482
36 HG3 LYS 4 HG1 LYS 4 4.617 4.764 -2.752
37 HD2 LYS 4 HD2 LYS 4 3.464 6.142 -4.422
38 HD3 LYS 4 HD1 LYS 4 2.404 6.780 -3.159
39 HE2 LYS 4 HE2 LYS 4 5.403 7.109 -3.261
40 HE3 LYS 4 HE1 LYS 4 4.226 8.313 -3.762
41 HZ1 LYS 4 HZ1 LYS 4 4.717 7.285 -1.034
42 HZ2 LYS 4 HZ2 LYS 4 3.341 8.197 -1.426
43 HZ3 LYS 4 HZ3 LYS 4 4.881 8.879 -1.585
44 H ILE 5 HN ILE 5 2.288 1.074 -3.422
45 HA ILE 5 HA ILE 5 -0.528 0.773 -3.354
46 HB ILE 5 HB ILE 5 0.853 0.252 -5.346
47 HG12 ILE 5 HG12 ILE 5 -0.255 -2.052 -5.888
48 HG13 ILE 5 HG11 ILE 5 -1.081 -1.796 -4.352
49 HG21 ILE 5 HG21 ILE 5 2.686 -0.989 -5.163
50 HG22 ILE 5 HG22 ILE 5 1.622 -2.394 -5.158
51 HG23 ILE 5 HG23 ILE 5 2.157 -1.693 -3.631
52 HD11 ILE 5 HD11 ILE 5 -1.111 0.313 -6.492
53 HD12 ILE 5 HD12 ILE 5 -2.229 0.067 -5.139
54 HD13 ILE 5 HD13 ILE 5 -2.243 -1.048 -6.500
55 H LEU 6 HN LEU 6 2.069 -1.053 -1.660
56 HA LEU 6 HA LEU 6 0.492 -3.138 -0.570
57 HB2 LEU 6 HB2 LEU 6 3.014 -3.004 -0.756
58 HB3 LEU 6 HB1 LEU 6 2.986 -1.910 0.605
59 HG LEU 6 HG LEU 6 1.741 -3.881 1.813
60 HD11 LEU 6 HD11 LEU 6 2.241 -6.064 1.092
61 HD12 LEU 6 HD12 LEU 6 3.335 -5.484 -0.163
62 HD13 LEU 6 HD13 LEU 6 1.600 -5.217 -0.319
63 HD21 LEU 6 HD21 LEU 6 4.147 -2.902 2.092
64 HD22 LEU 6 HD22 LEU 6 4.624 -4.426 1.350
65 HD23 LEU 6 HD23 LEU 6 3.701 -4.424 2.851
66 HN MK8 7 HN MK8 7 1.522 0.035 0.772
67 HB MK8 7 HB11 MK8 7 0.905 2.219 1.364
68 HBA MK8 7 HB12 MK8 7 1.988 1.747 2.651
69 HD MK8 7 HD11 MK8 7 -1.394 2.976 2.236
70 HDA MK8 7 HD12 MK8 7 -0.449 4.404 1.932
71 HE MK8 7 HE1 MK8 7 -1.792 5.649 3.357
72 HG MK8 7 HG11 MK8 7 1.193 3.778 3.457
73 HGA MK8 7 HG12 MK8 7 0.126 2.641 4.271
74 HB1 MK8 7 HB21 MK8 7 -0.029 -0.956 4.088
75 HB1A MK8 7 HB22 MK8 7 0.812 0.510 4.546
76 HB1B MK8 7 HB23 MK8 7 1.663 -0.739 3.635
77 H ARG 8 HN ARG 8 -1.172 0.923 0.271
78 HA ARG 8 HA ARG 8 -3.631 1.787 1.441
79 HB2 ARG 8 HB2 ARG 8 -2.888 1.129 -1.411
80 HB3 ARG 8 HB1 ARG 8 -4.450 1.790 -0.936
81 HG2 ARG 8 HG2 ARG 8 -3.234 3.759 0.009
82 HG3 ARG 8 HG1 ARG 8 -1.747 3.099 -0.688
83 HD2 ARG 8 HD2 ARG 8 -2.865 3.137 -2.922
84 HD3 ARG 8 HD1 ARG 8 -4.241 3.937 -2.163
85 HE ARG 8 HE ARG 8 -1.923 5.424 -1.594
86 HH11 ARG 8 HH11 ARG 8 -3.935 4.769 -4.466
87 HH12 ARG 8 HH12 ARG 8 -3.514 6.269 -5.222
88 HH21 ARG 8 HH21 ARG 8 -1.409 7.341 -2.669
89 HH22 ARG 8 HH22 ARG 8 -2.067 7.697 -4.237
90 H LEU 9 HN LEU 9 -2.650 -1.313 -0.002
91 HA LEU 9 HA LEU 9 -5.211 -2.460 -0.268
92 HB2 LEU 9 HB2 LEU 9 -3.042 -3.200 -1.396
93 HB3 LEU 9 HB1 LEU 9 -2.646 -3.998 0.104
94 HG LEU 9 HG LEU 9 -5.013 -5.138 -0.261
95 HD11 LEU 9 HD11 LEU 9 -5.308 -5.618 -2.708
96 HD12 LEU 9 HD12 LEU 9 -4.186 -4.289 -3.035
97 HD13 LEU 9 HD13 LEU 9 -5.715 -3.972 -2.215
98 HD21 LEU 9 HD21 LEU 9 -2.731 -6.211 -0.135
99 HD22 LEU 9 HD22 LEU 9 -2.626 -6.019 -1.878
100 HD23 LEU 9 HD23 LEU 9 -3.888 -7.030 -1.178
101 H LEU 10 HN LEU 10 -2.823 -2.333 2.330
102 HA LEU 10 HA LEU 10 -4.061 -4.264 4.044
103 HB2 LEU 10 HB2 LEU 10 -1.611 -3.771 3.968
104 HB3 LEU 10 HB1 LEU 10 -1.942 -2.196 4.666
105 HG LEU 10 HG LEU 10 -2.966 -3.595 6.644
106 HD11 LEU 10 HD11 LEU 10 -2.544 -5.727 5.179
107 HD12 LEU 10 HD12 LEU 10 -2.268 -5.768 6.925
108 HD13 LEU 10 HD13 LEU 10 -0.910 -5.592 5.818
109 HD21 LEU 10 HD21 LEU 10 -0.054 -3.193 6.043
110 HD22 LEU 10 HD22 LEU 10 -0.632 -3.771 7.608
111 HD23 LEU 10 HD23 LEU 10 -1.132 -2.195 7.010
112 HN MK8 11 HN MK8 11 -3.459 -0.771 4.926
113 HB MK8 11 HB11 MK8 11 -3.513 1.034 6.883
114 HBA MK8 11 HB12 MK8 11 -5.060 1.861 6.855
115 HD MK8 11 HD11 MK8 11 -1.876 2.138 4.828
116 HDA MK8 11 HD12 MK8 11 -2.532 2.809 6.306
117 HE MK8 11 HE1 MK8 11 -3.111 4.952 5.146
118 HG MK8 11 HG11 MK8 11 -4.758 2.659 4.754
119 HGA MK8 11 HG12 MK8 11 -3.838 1.252 4.234
120 HB1 MK8 11 HB21 MK8 11 -4.446 -0.386 8.121
121 HB1A MK8 11 HB22 MK8 11 -5.314 -1.773 7.464
122 HB1B MK8 11 HB23 MK8 11 -6.207 -0.340 7.950
123 H ASP 12 HN ASP 12 -6.189 -1.125 3.931
124 HA ASP 12 HA ASP 12 -8.416 0.606 3.526
125 HB2 ASP 12 HB2 ASP 12 -7.297 -0.668 1.717
126 HB3 ASP 12 HB1 ASP 12 -7.945 -2.161 2.379
127 H SER 13 HN SER 13 -7.964 -2.534 5.093
128 HA SER 13 HA SER 13 -10.724 -3.139 5.565
129 HB2 SER 13 HB2 SER 13 -9.050 -4.941 5.490
130 HB3 SER 13 HB1 SER 13 -8.247 -4.249 6.896
131 HG SER 13 HG SER 13 -10.925 -5.165 6.883
132 HN1 NH2 14 HN1 NH2 14 -8.140 -1.682 7.479
133 HN2 NH2 14 HN2 NH2 14 -9.157 -1.117 8.769
Start of MODEL 2
1 H1 ACE 0 H1 ACE 0 9.902 2.060 -6.508
2 H2 ACE 0 H2 ACE 0 10.202 1.658 -4.818
3 H3 ACE 0 H3 ACE 0 10.299 3.332 -5.356
4 H GLU 1 HN GLU 1 7.884 2.438 -7.161
5 HA GLU 1 HA GLU 1 5.804 3.612 -5.625
6 HB2 GLU 1 HB2 GLU 1 6.162 3.658 -8.152
7 HB3 GLU 1 HB1 GLU 1 5.410 2.082 -8.182
8 HG2 GLU 1 HG2 GLU 1 3.735 3.635 -8.725
9 HG3 GLU 1 HG1 GLU 1 3.413 3.114 -7.079
10 H LYS 2 HN LYS 2 7.011 0.501 -5.423
11 HA LYS 2 HA LYS 2 4.655 -1.084 -5.266
12 HB2 LYS 2 HB2 LYS 2 7.034 -1.849 -5.820
13 HB3 LYS 2 HB1 LYS 2 7.340 -1.810 -4.088
14 HG2 LYS 2 HG2 LYS 2 5.553 -3.452 -3.743
15 HG3 LYS 2 HG1 LYS 2 5.255 -3.520 -5.482
16 HD2 LYS 2 HD2 LYS 2 7.554 -4.325 -5.831
17 HD3 LYS 2 HD1 LYS 2 7.838 -4.269 -4.091
18 HE2 LYS 2 HE2 LYS 2 5.740 -5.958 -5.449
19 HE3 LYS 2 HE1 LYS 2 7.315 -6.534 -4.908
20 HZ1 LYS 2 HZ1 LYS 2 5.307 -6.857 -3.376
21 HZ2 LYS 2 HZ2 LYS 2 5.478 -5.213 -3.021
22 HZ3 LYS 2 HZ3 LYS 2 6.746 -6.286 -2.692
23 H HIS 3 HN HIS 3 6.576 0.692 -2.865
24 HA HIS 3 HA HIS 3 5.504 -0.525 -0.508
25 HB2 HIS 3 HB2 HIS 3 7.727 0.743 -0.784
26 HB3 HIS 3 HB1 HIS 3 6.788 2.215 -0.668
27 HD1 HIS 3 HD1 HIS 3 5.138 2.090 1.698
28 HD2 HIS 3 HD2 HIS 3 8.799 0.075 1.594
29 HE1 HIS 3 HE1 HIS 3 5.781 1.704 4.103
30 HE2 HIS 3 HE2 HIS 3 8.000 0.526 4.006
31 H LYS 4 HN LYS 4 4.568 2.222 -2.505
32 HA LYS 4 HA LYS 4 2.692 3.402 -0.729
33 HB2 LYS 4 HB2 LYS 4 2.951 3.621 -3.716
34 HB3 LYS 4 HB1 LYS 4 1.868 4.606 -2.744
35 HG2 LYS 4 HG2 LYS 4 3.917 5.354 -1.454
36 HG3 LYS 4 HG1 LYS 4 4.874 4.584 -2.719
37 HD2 LYS 4 HD2 LYS 4 3.815 6.019 -4.395
38 HD3 LYS 4 HD1 LYS 4 2.861 6.800 -3.122
39 HE2 LYS 4 HE2 LYS 4 4.917 7.582 -2.055
40 HE3 LYS 4 HE1 LYS 4 5.867 6.788 -3.308
41 HZ1 LYS 4 HZ1 LYS 4 5.746 8.720 -4.362
42 HZ2 LYS 4 HZ2 LYS 4 4.497 9.304 -3.382
43 HZ3 LYS 4 HZ3 LYS 4 4.140 8.321 -4.717
44 H ILE 5 HN ILE 5 2.289 1.062 -3.437
45 HA ILE 5 HA ILE 5 -0.516 0.953 -3.316
46 HB ILE 5 HB ILE 5 0.777 0.366 -5.344
47 HG12 ILE 5 HG12 ILE 5 -0.475 -1.855 -5.919
48 HG13 ILE 5 HG11 ILE 5 -1.253 -1.626 -4.358
49 HG21 ILE 5 HG21 ILE 5 2.244 -1.389 -3.754
50 HG22 ILE 5 HG22 ILE 5 2.386 -1.127 -5.490
51 HG23 ILE 5 HG23 ILE 5 1.340 -2.409 -4.880
52 HD11 ILE 5 HD11 ILE 5 -1.492 -0.027 -6.846
53 HD12 ILE 5 HD12 ILE 5 -1.749 0.769 -5.291
54 HD13 ILE 5 HD13 ILE 5 -2.743 -0.618 -5.762
55 H LEU 6 HN LEU 6 1.983 -1.022 -1.682
56 HA LEU 6 HA LEU 6 0.310 -3.048 -0.623
57 HB2 LEU 6 HB2 LEU 6 2.862 -3.009 -0.766
58 HB3 LEU 6 HB1 LEU 6 2.846 -1.977 0.648
59 HG LEU 6 HG LEU 6 1.495 -3.977 1.694
60 HD11 LEU 6 HD11 LEU 6 2.976 -5.278 -0.573
61 HD12 LEU 6 HD12 LEU 6 1.249 -5.372 -0.225
62 HD13 LEU 6 HD13 LEU 6 2.418 -6.142 0.853
63 HD21 LEU 6 HD21 LEU 6 4.358 -4.637 1.405
64 HD22 LEU 6 HD22 LEU 6 3.391 -4.422 2.865
65 HD23 LEU 6 HD23 LEU 6 3.988 -3.012 1.986
66 HN MK8 7 HN MK8 7 1.625 -0.072 0.890
67 HB MK8 7 HB11 MK8 7 1.367 2.104 1.571
68 HBA MK8 7 HB12 MK8 7 2.106 1.557 3.062
69 HD MK8 7 HD11 MK8 7 1.202 2.694 5.396
70 HDA MK8 7 HD12 MK8 7 -0.261 1.899 4.946
71 HE MK8 7 HE1 MK8 7 -0.082 4.873 5.802
72 HG MK8 7 HG11 MK8 7 -0.269 3.413 2.872
73 HGA MK8 7 HG12 MK8 7 1.365 3.825 3.327
74 HB1 MK8 7 HB21 MK8 7 0.388 0.281 4.679
75 HB1A MK8 7 HB22 MK8 7 1.718 -0.542 3.867
76 HB1B MK8 7 HB23 MK8 7 0.114 -1.264 3.864
77 H ARG 8 HN ARG 8 -1.046 1.036 0.329
78 HA ARG 8 HA ARG 8 -3.422 2.110 1.451
79 HB2 ARG 8 HB2 ARG 8 -2.731 1.408 -1.385
80 HB3 ARG 8 HB1 ARG 8 -4.209 2.247 -0.910
81 HG2 ARG 8 HG2 ARG 8 -2.764 3.992 0.134
82 HG3 ARG 8 HG1 ARG 8 -1.378 3.210 -0.637
83 HD2 ARG 8 HD2 ARG 8 -2.458 3.507 -2.831
84 HD3 ARG 8 HD1 ARG 8 -3.805 4.308 -2.031
85 HE ARG 8 HE ARG 8 -1.455 5.658 -1.357
86 HH11 ARG 8 HH11 ARG 8 -3.365 5.252 -4.325
87 HH12 ARG 8 HH12 ARG 8 -2.840 6.762 -4.995
88 HH21 ARG 8 HH21 ARG 8 -0.771 7.573 -2.321
89 HH22 ARG 8 HH22 ARG 8 -1.369 8.063 -3.869
90 H LEU 9 HN LEU 9 -2.740 -1.082 0.010
91 HA LEU 9 HA LEU 9 -5.431 -1.978 -0.184
92 HB2 LEU 9 HB2 LEU 9 -3.421 -2.922 -1.418
93 HB3 LEU 9 HB1 LEU 9 -2.941 -3.684 0.082
94 HG LEU 9 HG LEU 9 -5.311 -4.791 -0.006
95 HD11 LEU 9 HD11 LEU 9 -5.963 -3.359 -2.015
96 HD12 LEU 9 HD12 LEU 9 -6.304 -5.090 -2.113
97 HD13 LEU 9 HD13 LEU 9 -4.912 -4.418 -2.959
98 HD21 LEU 9 HD21 LEU 9 -2.992 -5.834 -0.275
99 HD22 LEU 9 HD22 LEU 9 -3.305 -5.768 -2.009
100 HD23 LEU 9 HD23 LEU 9 -4.371 -6.709 -0.957
101 H LEU 10 HN LEU 10 -3.019 -1.863 2.321
102 HA LEU 10 HA LEU 10 -4.161 -3.713 4.173
103 HB2 LEU 10 HB2 LEU 10 -1.732 -2.995 4.018
104 HB3 LEU 10 HB1 LEU 10 -2.203 -1.475 4.758
105 HG LEU 10 HG LEU 10 -3.106 -3.032 6.680
106 HD11 LEU 10 HD11 LEU 10 -0.968 -4.830 6.519
107 HD12 LEU 10 HD12 LEU 10 -1.831 -4.926 4.985
108 HD13 LEU 10 HD13 LEU 10 -2.691 -5.179 6.508
109 HD21 LEU 10 HD21 LEU 10 -0.210 -3.024 6.895
110 HD22 LEU 10 HD22 LEU 10 -1.424 -2.172 7.851
111 HD23 LEU 10 HD23 LEU 10 -0.862 -1.495 6.320
112 HN MK8 11 HN MK8 11 -3.832 -0.072 4.461
113 HB MK8 11 HB11 MK8 11 -5.492 2.655 6.211
114 HBA MK8 11 HB12 MK8 11 -5.895 2.320 4.554
115 HD MK8 11 HD11 MK8 11 -2.192 1.641 6.042
116 HDA MK8 11 HD12 MK8 11 -3.355 2.535 7.001
117 HE MK8 11 HE1 MK8 11 -2.230 4.655 6.637
118 HG MK8 11 HG11 MK8 11 -3.856 3.429 4.447
119 HGA MK8 11 HG12 MK8 11 -3.434 1.729 4.229
120 HB1 MK8 11 HB21 MK8 11 -4.861 -0.623 7.407
121 HB1A MK8 11 HB22 MK8 11 -6.069 0.609 7.795
122 HB1B MK8 11 HB23 MK8 11 -4.395 1.075 7.499
123 H ASP 12 HN ASP 12 -6.496 -0.672 3.717
124 HA ASP 12 HA ASP 12 -9.171 0.240 3.696
125 HB2 ASP 12 HB2 ASP 12 -7.888 -0.646 1.724
126 HB3 ASP 12 HB1 ASP 12 -8.068 -2.269 2.379
127 H SER 13 HN SER 13 -7.723 -2.845 4.768
128 HA SER 13 HA SER 13 -10.169 -4.060 5.620
129 HB2 SER 13 HB2 SER 13 -7.310 -4.799 6.302
130 HB3 SER 13 HB1 SER 13 -8.731 -5.806 6.581
131 HG SER 13 HG SER 13 -9.015 -5.406 4.153
132 HN1 NH2 14 HN1 NH2 14 -7.552 -2.371 7.261
133 HN2 NH2 14 HN2 NH2 14 -8.352 -2.189 8.782
Start of MODEL 3
1 H1 ACE 0 H1 ACE 0 9.213 1.762 -8.583
2 H2 ACE 0 H2 ACE 0 7.922 2.754 -9.264
3 H3 ACE 0 H3 ACE 0 7.714 1.008 -9.139
4 H GLU 1 HN GLU 1 5.793 2.704 -8.092
5 HA GLU 1 HA GLU 1 6.124 3.279 -5.316
6 HB2 GLU 1 HB2 GLU 1 3.695 3.269 -7.134
7 HB3 GLU 1 HB1 GLU 1 3.627 3.766 -5.456
8 HG2 GLU 1 HG2 GLU 1 3.743 5.729 -6.764
9 HG3 GLU 1 HG1 GLU 1 5.314 5.535 -5.986
10 H LYS 2 HN LYS 2 7.017 1.084 -4.905
11 HA LYS 2 HA LYS 2 5.388 -1.245 -4.792
12 HB2 LYS 2 HB2 LYS 2 7.918 -1.102 -5.106
13 HB3 LYS 2 HB1 LYS 2 8.019 -0.822 -3.372
14 HG2 LYS 2 HG2 LYS 2 6.934 -3.003 -2.976
15 HG3 LYS 2 HG1 LYS 2 6.879 -3.271 -4.720
16 HD2 LYS 2 HD2 LYS 2 9.302 -3.207 -4.827
17 HD3 LYS 2 HD1 LYS 2 9.389 -2.871 -3.098
18 HE2 LYS 2 HE2 LYS 2 8.309 -5.032 -2.644
19 HE3 LYS 2 HE1 LYS 2 8.268 -5.357 -4.373
20 HZ1 LYS 2 HZ1 LYS 2 10.763 -5.038 -4.288
21 HZ2 LYS 2 HZ2 LYS 2 10.143 -6.457 -3.594
22 HZ3 LYS 2 HZ3 LYS 2 10.628 -5.171 -2.601
23 H HIS 3 HN HIS 3 6.932 0.720 -2.161
24 HA HIS 3 HA HIS 3 5.501 -0.584 -0.077
25 HB2 HIS 3 HB2 HIS 3 6.489 1.155 1.415
26 HB3 HIS 3 HB1 HIS 3 7.647 0.239 0.481
27 HD1 HIS 3 HD1 HIS 3 8.315 1.636 -1.908
28 HD2 HIS 3 HD2 HIS 3 7.118 3.772 1.450
29 HE1 HIS 3 HE1 HIS 3 9.220 3.969 -2.230
30 HE2 HIS 3 HE2 HIS 3 8.500 5.224 -0.166
31 H LYS 4 HN LYS 4 4.825 2.270 -1.982
32 HA LYS 4 HA LYS 4 2.858 3.483 -0.324
33 HB2 LYS 4 HB2 LYS 4 3.358 3.702 -3.287
34 HB3 LYS 4 HB1 LYS 4 2.131 4.625 -2.443
35 HG2 LYS 4 HG2 LYS 4 3.928 5.515 -0.948
36 HG3 LYS 4 HG1 LYS 4 5.097 4.775 -2.039
37 HD2 LYS 4 HD2 LYS 4 4.243 6.094 -3.885
38 HD3 LYS 4 HD1 LYS 4 3.018 6.790 -2.829
39 HE2 LYS 4 HE2 LYS 4 6.000 7.082 -2.434
40 HE3 LYS 4 HE1 LYS 4 4.958 8.300 -3.172
41 HZ1 LYS 4 HZ1 LYS 4 4.055 7.383 -0.589
42 HZ2 LYS 4 HZ2 LYS 4 4.203 8.958 -1.193
43 HZ3 LYS 4 HZ3 LYS 4 5.548 8.173 -0.548
44 H ILE 5 HN ILE 5 2.624 1.177 -3.123
45 HA ILE 5 HA ILE 5 -0.199 1.107 -3.173
46 HB ILE 5 HB ILE 5 1.181 0.588 -5.136
47 HG12 ILE 5 HG12 ILE 5 -0.040 -1.600 -5.844
48 HG13 ILE 5 HG11 ILE 5 -0.901 -1.387 -4.321
49 HG21 ILE 5 HG21 ILE 5 1.963 -1.893 -3.672
50 HG22 ILE 5 HG22 ILE 5 2.985 -0.685 -4.430
51 HG23 ILE 5 HG23 ILE 5 2.035 -1.788 -5.429
52 HD11 ILE 5 HD11 ILE 5 -2.067 -0.455 -6.310
53 HD12 ILE 5 HD12 ILE 5 -0.745 0.705 -6.476
54 HD13 ILE 5 HD13 ILE 5 -1.761 0.722 -5.028
55 H LEU 6 HN LEU 6 2.181 -0.936 -1.469
56 HA LEU 6 HA LEU 6 0.418 -2.974 -0.539
57 HB2 LEU 6 HB2 LEU 6 2.961 -2.981 -0.607
58 HB3 LEU 6 HB1 LEU 6 2.908 -2.001 0.842
59 HG LEU 6 HG LEU 6 1.444 -3.972 1.780
60 HD11 LEU 6 HD11 LEU 6 1.270 -5.216 -0.308
61 HD12 LEU 6 HD12 LEU 6 2.147 -6.156 0.906
62 HD13 LEU 6 HD13 LEU 6 3.027 -5.342 -0.384
63 HD21 LEU 6 HD21 LEU 6 3.501 -5.044 2.583
64 HD22 LEU 6 HD22 LEU 6 3.557 -3.287 2.715
65 HD23 LEU 6 HD23 LEU 6 4.420 -4.110 1.411
66 HN MK8 7 HN MK8 7 1.623 0.009 1.102
67 HB MK8 7 HB11 MK8 7 1.067 2.239 1.790
68 HBA MK8 7 HB12 MK8 7 2.104 1.564 3.020
69 HD MK8 7 HD11 MK8 7 -1.081 3.134 2.583
70 HDA MK8 7 HD12 MK8 7 -0.063 4.546 2.619
71 HE MK8 7 HE1 MK8 7 -1.097 5.261 4.845
72 HG MK8 7 HG11 MK8 7 1.467 3.545 4.007
73 HGA MK8 7 HG12 MK8 7 0.268 2.457 4.694
74 HB1 MK8 7 HB21 MK8 7 -0.071 -0.037 4.810
75 HB1A MK8 7 HB22 MK8 7 1.588 -0.313 4.278
76 HB1B MK8 7 HB23 MK8 7 0.310 -1.441 3.808
77 H ARG 8 HN ARG 8 -0.960 1.093 0.459
78 HA ARG 8 HA ARG 8 -3.431 2.109 1.463
79 HB2 ARG 8 HB2 ARG 8 -2.545 1.489 -1.336
80 HB3 ARG 8 HB1 ARG 8 -4.075 2.261 -0.936
81 HG2 ARG 8 HG2 ARG 8 -2.806 4.088 0.174
82 HG3 ARG 8 HG1 ARG 8 -1.313 3.337 -0.410
83 HD2 ARG 8 HD2 ARG 8 -2.123 3.531 -2.702
84 HD3 ARG 8 HD1 ARG 8 -3.588 4.325 -2.135
85 HE ARG 8 HE ARG 8 -1.308 5.725 -1.191
86 HH11 ARG 8 HH11 ARG 8 -3.028 5.320 -4.312
87 HH12 ARG 8 HH12 ARG 8 -2.521 6.868 -4.886
88 HH21 ARG 8 HH21 ARG 8 -0.668 7.711 -2.054
89 HH22 ARG 8 HH22 ARG 8 -1.190 8.210 -3.629
90 H LEU 9 HN LEU 9 -2.647 -1.038 -0.075
91 HA LEU 9 HA LEU 9 -5.335 -1.905 -0.451
92 HB2 LEU 9 HB2 LEU 9 -3.195 -2.789 -1.575
93 HB3 LEU 9 HB1 LEU 9 -2.915 -3.673 -0.087
94 HG LEU 9 HG LEU 9 -5.318 -4.637 -0.541
95 HD11 LEU 9 HD11 LEU 9 -6.239 -4.262 -2.523
96 HD12 LEU 9 HD12 LEU 9 -4.753 -4.692 -3.369
97 HD13 LEU 9 HD13 LEU 9 -5.006 -3.038 -2.795
98 HD21 LEU 9 HD21 LEU 9 -3.524 -5.918 -2.421
99 HD22 LEU 9 HD22 LEU 9 -4.181 -6.519 -0.907
100 HD23 LEU 9 HD23 LEU 9 -2.720 -5.532 -0.896
101 H LEU 10 HN LEU 10 -3.013 -2.036 2.188
102 HA LEU 10 HA LEU 10 -4.358 -3.961 3.830
103 HB2 LEU 10 HB2 LEU 10 -1.874 -3.416 3.795
104 HB3 LEU 10 HB1 LEU 10 -2.268 -1.950 4.666
105 HG LEU 10 HG LEU 10 -3.338 -3.571 6.430
106 HD11 LEU 10 HD11 LEU 10 -2.407 -5.757 6.565
107 HD12 LEU 10 HD12 LEU 10 -1.341 -5.463 5.186
108 HD13 LEU 10 HD13 LEU 10 -3.085 -5.571 4.955
109 HD21 LEU 10 HD21 LEU 10 -1.314 -3.584 7.656
110 HD22 LEU 10 HD22 LEU 10 -1.291 -2.128 6.663
111 HD23 LEU 10 HD23 LEU 10 -0.342 -3.538 6.188
112 HN MK8 11 HN MK8 11 -3.737 -0.426 4.429
113 HB MK8 11 HB11 MK8 11 -3.648 1.616 5.664
114 HBA MK8 11 HB12 MK8 11 -5.116 2.310 6.296
115 HD MK8 11 HD11 MK8 11 -4.076 3.628 2.661
116 HDA MK8 11 HD12 MK8 11 -3.066 2.383 3.315
117 HE MK8 11 HE1 MK8 11 -3.393 4.834 5.093
118 HG MK8 11 HG11 MK8 11 -5.710 3.241 4.376
119 HGA MK8 11 HG12 MK8 11 -5.341 1.803 3.459
120 HB1 MK8 11 HB21 MK8 11 -4.248 -0.708 7.266
121 HB1A MK8 11 HB22 MK8 11 -5.989 -0.635 7.548
122 HB1B MK8 11 HB23 MK8 11 -5.000 0.818 7.734
123 H ASP 12 HN ASP 12 -6.485 -0.826 3.638
124 HA ASP 12 HA ASP 12 -9.031 0.406 3.599
125 HB2 ASP 12 HB2 ASP 12 -7.873 -0.561 1.609
126 HB3 ASP 12 HB1 ASP 12 -8.123 -2.174 2.277
127 H SER 13 HN SER 13 -7.896 -2.768 4.684
128 HA SER 13 HA SER 13 -10.444 -3.796 5.517
129 HB2 SER 13 HB2 SER 13 -7.651 -4.744 6.237
130 HB3 SER 13 HB1 SER 13 -9.150 -5.661 6.467
131 HG SER 13 HG SER 13 -8.931 -4.785 3.930
132 HN1 NH2 14 HN1 NH2 14 -7.622 -2.447 7.187
133 HN2 NH2 14 HN2 NH2 14 -8.425 -2.145 8.689
Start of MODEL 4
1 H1 ACE 0 H1 ACE 0 9.931 3.583 -5.809
2 H2 ACE 0 H2 ACE 0 9.707 1.926 -6.391
3 H3 ACE 0 H3 ACE 0 10.103 2.214 -4.697
4 H GLU 1 HN GLU 1 7.634 2.581 -7.189
5 HA GLU 1 HA GLU 1 5.509 3.560 -5.565
6 HB2 GLU 1 HB2 GLU 1 5.824 3.759 -8.101
7 HB3 GLU 1 HB1 GLU 1 5.220 2.117 -8.197
8 HG2 GLU 1 HG2 GLU 1 3.399 3.555 -8.653
9 HG3 GLU 1 HG1 GLU 1 3.135 2.890 -7.046
10 H LYS 2 HN LYS 2 6.928 0.547 -5.434
11 HA LYS 2 HA LYS 2 4.677 -1.212 -5.319
12 HB2 LYS 2 HB2 LYS 2 7.118 -1.783 -5.878
13 HB3 LYS 2 HB1 LYS 2 7.417 -1.740 -4.153
14 HG2 LYS 2 HG2 LYS 2 5.687 -3.500 -3.849
15 HG3 LYS 2 HG1 LYS 2 5.543 -3.598 -5.607
16 HD2 LYS 2 HD2 LYS 2 7.923 -4.190 -5.763
17 HD3 LYS 2 HD1 LYS 2 8.062 -4.099 -4.010
18 HE2 LYS 2 HE2 LYS 2 7.831 -6.408 -4.674
19 HE3 LYS 2 HE1 LYS 2 6.372 -5.888 -3.807
20 HZ1 LYS 2 HZ1 LYS 2 5.849 -7.194 -5.778
21 HZ2 LYS 2 HZ2 LYS 2 6.643 -6.069 -6.765
22 HZ3 LYS 2 HZ3 LYS 2 5.249 -5.615 -5.913
23 H HIS 3 HN HIS 3 6.645 0.503 -2.859
24 HA HIS 3 HA HIS 3 5.486 -0.759 -0.567
25 HB2 HIS 3 HB2 HIS 3 7.784 0.359 -0.717
26 HB3 HIS 3 HB1 HIS 3 6.946 1.892 -0.576
27 HD1 HIS 3 HD1 HIS 3 5.262 1.858 1.740
28 HD2 HIS 3 HD2 HIS 3 8.680 -0.498 1.666
29 HE1 HIS 3 HE1 HIS 3 5.804 1.402 4.138
30 HE2 HIS 3 HE2 HIS 3 7.857 -0.068 4.078
31 H LYS 4 HN LYS 4 4.696 2.053 -2.516
32 HA LYS 4 HA LYS 4 2.894 3.333 -0.738
33 HB2 LYS 4 HB2 LYS 4 3.147 3.480 -3.729
34 HB3 LYS 4 HB1 LYS 4 2.070 4.498 -2.785
35 HG2 LYS 4 HG2 LYS 4 3.993 5.424 -1.592
36 HG3 LYS 4 HG1 LYS 4 5.067 4.406 -2.550
37 HD2 LYS 4 HD2 LYS 4 4.433 5.539 -4.559
38 HD3 LYS 4 HD1 LYS 4 3.196 6.457 -3.692
39 HE2 LYS 4 HE2 LYS 4 4.926 7.550 -2.365
40 HE3 LYS 4 HE1 LYS 4 6.165 6.627 -3.211
41 HZ1 LYS 4 HZ1 LYS 4 6.114 8.690 -4.244
42 HZ2 LYS 4 HZ2 LYS 4 4.425 8.763 -4.265
43 HZ3 LYS 4 HZ3 LYS 4 5.237 7.700 -5.297
44 H ILE 5 HN ILE 5 2.377 0.983 -3.417
45 HA ILE 5 HA ILE 5 -0.441 0.989 -3.309
46 HB ILE 5 HB ILE 5 0.822 0.279 -5.327
47 HG12 ILE 5 HG12 ILE 5 -0.533 -1.888 -5.813
48 HG13 ILE 5 HG11 ILE 5 -1.276 -1.578 -4.257
49 HG21 ILE 5 HG21 ILE 5 1.967 -1.689 -5.631
50 HG22 ILE 5 HG22 ILE 5 1.281 -2.437 -4.201
51 HG23 ILE 5 HG23 ILE 5 2.501 -1.175 -4.029
52 HD11 ILE 5 HD11 ILE 5 -2.205 0.463 -4.995
53 HD12 ILE 5 HD12 ILE 5 -2.510 -0.713 -6.275
54 HD13 ILE 5 HD13 ILE 5 -1.209 0.466 -6.446
55 H LEU 6 HN LEU 6 1.967 -1.042 -1.624
56 HA LEU 6 HA LEU 6 0.186 -2.940 -0.501
57 HB2 LEU 6 HB2 LEU 6 2.717 -3.091 -0.677
58 HB3 LEU 6 HB1 LEU 6 2.799 -2.023 0.693
59 HG LEU 6 HG LEU 6 1.336 -3.859 1.883
60 HD11 LEU 6 HD11 LEU 6 1.479 -5.074 -0.552
61 HD12 LEU 6 HD12 LEU 6 1.140 -5.885 0.978
62 HD13 LEU 6 HD13 LEU 6 2.776 -5.874 0.323
63 HD21 LEU 6 HD21 LEU 6 3.832 -5.123 1.859
64 HD22 LEU 6 HD22 LEU 6 3.243 -3.914 3.001
65 HD23 LEU 6 HD23 LEU 6 4.150 -3.408 1.578
66 HN MK8 7 HN MK8 7 1.572 0.109 0.881
67 HB MK8 7 HB11 MK8 7 1.074 2.370 1.484
68 HBA MK8 7 HB12 MK8 7 2.194 1.746 2.675
69 HD MK8 7 HD11 MK8 7 -1.129 3.302 2.569
70 HDA MK8 7 HD12 MK8 7 -0.079 4.642 2.197
71 HE MK8 7 HE1 MK8 7 -0.618 5.755 4.390
72 HG MK8 7 HG11 MK8 7 1.618 3.846 3.549
73 HGA MK8 7 HG12 MK8 7 0.580 2.768 4.431
74 HB1 MK8 7 HB21 MK8 7 0.946 -1.150 3.659
75 HB1A MK8 7 HB22 MK8 7 -0.136 -0.086 4.563
76 HB1B MK8 7 HB23 MK8 7 1.550 0.362 4.343
77 H ARG 8 HN ARG 8 -1.015 1.121 0.359
78 HA ARG 8 HA ARG 8 -3.414 2.248 1.453
79 HB2 ARG 8 HB2 ARG 8 -2.753 1.445 -1.383
80 HB3 ARG 8 HB1 ARG 8 -4.206 2.315 -0.906
81 HG2 ARG 8 HG2 ARG 8 -2.691 4.074 0.074
82 HG3 ARG 8 HG1 ARG 8 -1.355 3.255 -0.737
83 HD2 ARG 8 HD2 ARG 8 -2.566 3.525 -2.900
84 HD3 ARG 8 HD1 ARG 8 -3.793 4.465 -2.048
85 HE ARG 8 HE ARG 8 -1.331 5.630 -1.500
86 HH11 ARG 8 HH11 ARG 8 -3.389 5.280 -4.413
87 HH12 ARG 8 HH12 ARG 8 -2.741 6.702 -5.163
88 HH21 ARG 8 HH21 ARG 8 -0.547 7.482 -2.546
89 HH22 ARG 8 HH22 ARG 8 -1.146 7.946 -4.109
90 H LEU 9 HN LEU 9 -2.715 -0.975 0.057
91 HA LEU 9 HA LEU 9 -5.388 -1.883 -0.104
92 HB2 LEU 9 HB2 LEU 9 -3.302 -2.804 -1.283
93 HB3 LEU 9 HB1 LEU 9 -2.977 -3.656 0.205
94 HG LEU 9 HG LEU 9 -5.450 -4.522 -0.133
95 HD11 LEU 9 HD11 LEU 9 -4.650 -4.368 -2.998
96 HD12 LEU 9 HD12 LEU 9 -5.557 -3.048 -2.245
97 HD13 LEU 9 HD13 LEU 9 -6.230 -4.681 -2.279
98 HD21 LEU 9 HD21 LEU 9 -3.107 -5.626 -1.662
99 HD22 LEU 9 HD22 LEU 9 -4.548 -6.515 -1.207
100 HD23 LEU 9 HD23 LEU 9 -3.447 -5.928 0.038
101 H LEU 10 HN LEU 10 -2.979 -1.848 2.431
102 HA LEU 10 HA LEU 10 -4.184 -3.750 4.206
103 HB2 LEU 10 HB2 LEU 10 -1.738 -3.092 4.126
104 HB3 LEU 10 HB1 LEU 10 -2.176 -1.586 4.901
105 HG LEU 10 HG LEU 10 -3.169 -3.144 6.757
106 HD11 LEU 10 HD11 LEU 10 -0.994 -4.963 5.835
107 HD12 LEU 10 HD12 LEU 10 -2.662 -5.192 5.310
108 HD13 LEU 10 HD13 LEU 10 -2.257 -5.259 7.023
109 HD21 LEU 10 HD21 LEU 10 -1.339 -2.643 8.010
110 HD22 LEU 10 HD22 LEU 10 -1.039 -1.594 6.622
111 HD23 LEU 10 HD23 LEU 10 -0.209 -3.146 6.752
112 HN MK8 11 HN MK8 11 -3.880 -0.152 4.453
113 HB MK8 11 HB11 MK8 11 -5.709 2.649 5.952
114 HBA MK8 11 HB12 MK8 11 -5.523 2.160 4.290
115 HD MK8 11 HD11 MK8 11 -4.406 4.046 4.072
116 HDA MK8 11 HD12 MK8 11 -3.120 3.095 3.372
117 HE MK8 11 HE1 MK8 11 -2.744 5.458 5.281
118 HG MK8 11 HG11 MK8 11 -3.017 1.666 5.129
119 HGA MK8 11 HG12 MK8 11 -3.469 2.891 6.300
120 HB1 MK8 11 HB21 MK8 11 -4.331 0.612 7.538
121 HB1A MK8 11 HB22 MK8 11 -5.526 -0.693 7.521
122 HB1B MK8 11 HB23 MK8 11 -6.049 0.977 7.771
123 H ASP 12 HN ASP 12 -6.402 -0.816 3.707
124 HA ASP 12 HA ASP 12 -9.063 0.156 3.503
125 HB2 ASP 12 HB2 ASP 12 -7.405 -1.859 2.124
126 HB3 ASP 12 HB1 ASP 12 -9.134 -2.196 2.081
127 H SER 13 HN SER 13 -7.760 -2.964 4.630
128 HA SER 13 HA SER 13 -10.259 -4.065 5.498
129 HB2 SER 13 HB2 SER 13 -7.421 -4.909 6.082
130 HB3 SER 13 HB1 SER 13 -8.851 -5.869 6.467
131 HG SER 13 HG SER 13 -8.534 -4.952 3.846
132 HN1 NH2 14 HN1 NH2 14 -7.449 -2.710 7.179
133 HN2 NH2 14 HN2 NH2 14 -8.243 -2.470 8.695
Start of MODEL 5
1 H1 ACE 0 H1 ACE 0 6.159 3.200 -9.678
2 H2 ACE 0 H2 ACE 0 6.159 1.440 -9.764
3 H3 ACE 0 H3 ACE 0 7.688 2.333 -9.809
4 H GLU 1 HN GLU 1 5.123 3.420 -7.757
5 HA GLU 1 HA GLU 1 6.677 3.187 -5.347
6 HB2 GLU 1 HB2 GLU 1 3.877 4.183 -5.895
7 HB3 GLU 1 HB1 GLU 1 4.502 4.052 -4.261
8 HG2 GLU 1 HG2 GLU 1 5.754 5.725 -6.428
9 HG3 GLU 1 HG1 GLU 1 4.638 6.337 -5.212
10 H LYS 2 HN LYS 2 7.116 1.158 -4.835
11 HA LYS 2 HA LYS 2 5.260 -1.022 -4.832
12 HB2 LYS 2 HB2 LYS 2 7.810 -1.108 -5.174
13 HB3 LYS 2 HB1 LYS 2 7.939 -0.998 -3.428
14 HG2 LYS 2 HG2 LYS 2 6.612 -3.068 -3.229
15 HG3 LYS 2 HG1 LYS 2 6.568 -3.189 -4.984
16 HD2 LYS 2 HD2 LYS 2 9.016 -3.322 -5.034
17 HD3 LYS 2 HD1 LYS 2 9.064 -3.216 -3.275
18 HE2 LYS 2 HE2 LYS 2 9.303 -5.525 -3.965
19 HE3 LYS 2 HE1 LYS 2 7.766 -5.292 -3.139
20 HZ1 LYS 2 HZ1 LYS 2 7.620 -4.969 -5.994
21 HZ2 LYS 2 HZ2 LYS 2 6.620 -5.842 -4.949
22 HZ3 LYS 2 HZ3 LYS 2 8.067 -6.525 -5.502
23 H HIS 3 HN HIS 3 6.867 0.819 -2.216
24 HA HIS 3 HA HIS 3 5.673 -0.575 -0.036
25 HB2 HIS 3 HB2 HIS 3 7.866 0.688 -0.020
26 HB3 HIS 3 HB1 HIS 3 6.939 2.173 0.026
27 HD1 HIS 3 HD1 HIS 3 7.030 -1.030 2.099
28 HD2 HIS 3 HD2 HIS 3 6.788 3.098 2.526
29 HE1 HIS 3 HE1 HIS 3 6.989 -0.630 4.561
30 HE2 HIS 3 HE2 HIS 3 6.741 1.862 4.821
31 H LYS 4 HN LYS 4 4.787 2.428 -1.779
32 HA LYS 4 HA LYS 4 2.777 3.309 0.010
33 HB2 LYS 4 HB2 LYS 4 3.281 3.930 -2.886
34 HB3 LYS 4 HB1 LYS 4 1.982 4.674 -1.962
35 HG2 LYS 4 HG2 LYS 4 3.745 5.434 -0.332
36 HG3 LYS 4 HG1 LYS 4 4.944 4.926 -1.523
37 HD2 LYS 4 HD2 LYS 4 3.913 6.428 -3.163
38 HD3 LYS 4 HD1 LYS 4 2.739 6.926 -1.945
39 HE2 LYS 4 HE2 LYS 4 4.518 7.800 -0.550
40 HE3 LYS 4 HE1 LYS 4 5.726 7.284 -1.730
41 HZ1 LYS 4 HZ1 LYS 4 3.701 8.913 -2.911
42 HZ2 LYS 4 HZ2 LYS 4 5.380 9.085 -2.955
43 HZ3 LYS 4 HZ3 LYS 4 4.503 9.719 -1.662
44 H ILE 5 HN ILE 5 2.606 1.302 -2.943
45 HA ILE 5 HA ILE 5 -0.203 1.120 -3.073
46 HB ILE 5 HB ILE 5 1.244 0.743 -5.029
47 HG12 ILE 5 HG12 ILE 5 0.108 -1.486 -5.827
48 HG13 ILE 5 HG11 ILE 5 -0.799 -1.316 -4.322
49 HG21 ILE 5 HG21 ILE 5 2.556 -1.120 -5.471
50 HG22 ILE 5 HG22 ILE 5 1.892 -2.035 -4.116
51 HG23 ILE 5 HG23 ILE 5 2.963 -0.660 -3.825
52 HD11 ILE 5 HD11 ILE 5 -0.929 0.274 -6.795
53 HD12 ILE 5 HD12 ILE 5 -1.118 1.138 -5.279
54 HD13 ILE 5 HD13 ILE 5 -2.203 -0.197 -5.668
55 H LEU 6 HN LEU 6 2.223 -0.939 -1.450
56 HA LEU 6 HA LEU 6 0.573 -3.080 -0.668
57 HB2 LEU 6 HB2 LEU 6 3.119 -2.959 -0.674
58 HB3 LEU 6 HB1 LEU 6 2.994 -2.062 0.822
59 HG LEU 6 HG LEU 6 1.654 -4.171 1.629
60 HD11 LEU 6 HD11 LEU 6 1.502 -5.783 0.093
61 HD12 LEU 6 HD12 LEU 6 3.217 -6.076 0.402
62 HD13 LEU 6 HD13 LEU 6 2.731 -5.037 -0.936
63 HD21 LEU 6 HD21 LEU 6 4.251 -5.145 1.757
64 HD22 LEU 6 HD22 LEU 6 3.444 -4.120 2.940
65 HD23 LEU 6 HD23 LEU 6 4.426 -3.395 1.667
66 HN MK8 7 HN MK8 7 1.557 -0.092 1.177
67 HB MK8 7 HB11 MK8 7 0.796 2.079 2.117
68 HBA MK8 7 HB12 MK8 7 1.877 1.322 3.261
69 HD MK8 7 HD11 MK8 7 0.385 4.023 2.817
70 HDA MK8 7 HD12 MK8 7 0.425 4.532 4.485
71 HE MK8 7 HE1 MK8 7 -1.826 4.930 2.865
72 HG MK8 7 HG11 MK8 7 1.070 2.510 4.950
73 HGA MK8 7 HG12 MK8 7 -0.556 1.986 4.640
74 HB1 MK8 7 HB21 MK8 7 0.425 -0.273 4.942
75 HB1A MK8 7 HB22 MK8 7 1.365 -1.344 3.911
76 HB1B MK8 7 HB23 MK8 7 -0.379 -1.607 4.092
77 H ARG 8 HN ARG 8 -1.001 0.844 0.537
78 HA ARG 8 HA ARG 8 -3.526 1.745 1.520
79 HB2 ARG 8 HB2 ARG 8 -2.457 1.324 -1.266
80 HB3 ARG 8 HB1 ARG 8 -4.091 1.902 -0.971
81 HG2 ARG 8 HG2 ARG 8 -3.134 3.821 0.256
82 HG3 ARG 8 HG1 ARG 8 -1.524 3.235 -0.156
83 HD2 ARG 8 HD2 ARG 8 -2.043 3.484 -2.534
84 HD3 ARG 8 HD1 ARG 8 -3.657 4.074 -2.124
85 HE ARG 8 HE ARG 8 -1.177 5.533 -1.987
86 HH11 ARG 8 HH11 ARG 8 -4.537 5.580 -0.781
87 HH12 ARG 8 HH12 ARG 8 -4.474 7.264 -0.377
88 HH21 ARG 8 HH21 ARG 8 -1.159 7.725 -1.353
89 HH22 ARG 8 HH22 ARG 8 -2.576 8.452 -0.670
90 H LEU 9 HN LEU 9 -2.553 -1.312 0.015
91 HA LEU 9 HA LEU 9 -5.148 -2.329 -0.447
92 HB2 LEU 9 HB2 LEU 9 -3.012 -3.142 -1.526
93 HB3 LEU 9 HB1 LEU 9 -2.548 -3.860 -0.003
94 HG LEU 9 HG LEU 9 -3.231 -5.537 -1.606
95 HD11 LEU 9 HD11 LEU 9 -3.682 -6.548 0.340
96 HD12 LEU 9 HD12 LEU 9 -5.337 -6.464 -0.266
97 HD13 LEU 9 HD13 LEU 9 -4.759 -5.262 0.887
98 HD21 LEU 9 HD21 LEU 9 -5.279 -3.793 -2.404
99 HD22 LEU 9 HD22 LEU 9 -6.080 -5.211 -1.736
100 HD23 LEU 9 HD23 LEU 9 -4.913 -5.394 -3.040
101 H LEU 10 HN LEU 10 -2.864 -2.343 2.244
102 HA LEU 10 HA LEU 10 -4.247 -4.164 3.950
103 HB2 LEU 10 HB2 LEU 10 -1.777 -3.727 3.906
104 HB3 LEU 10 HB1 LEU 10 -2.089 -2.208 4.700
105 HG LEU 10 HG LEU 10 -3.213 -3.678 6.555
106 HD11 LEU 10 HD11 LEU 10 -2.976 -5.889 6.483
107 HD12 LEU 10 HD12 LEU 10 -1.259 -5.751 6.130
108 HD13 LEU 10 HD13 LEU 10 -2.429 -5.725 4.810
109 HD21 LEU 10 HD21 LEU 10 -1.374 -3.253 7.764
110 HD22 LEU 10 HD22 LEU 10 -0.821 -2.426 6.314
111 HD23 LEU 10 HD23 LEU 10 -0.312 -4.083 6.638
112 HN MK8 11 HN MK8 11 -3.483 -0.657 4.633
113 HB MK8 11 HB11 MK8 11 -5.007 2.150 6.516
114 HBA MK8 11 HB12 MK8 11 -4.788 1.981 4.788
115 HD MK8 11 HD11 MK8 11 -1.497 3.171 6.245
116 HDA MK8 11 HD12 MK8 11 -3.118 3.673 6.648
117 HE MK8 11 HE1 MK8 11 -3.574 4.448 4.357
118 HG MK8 11 HG11 MK8 11 -2.506 1.198 5.078
119 HGA MK8 11 HG12 MK8 11 -2.679 1.232 6.822
120 HB1 MK8 11 HB21 MK8 11 -6.114 -0.935 7.441
121 HB1A MK8 11 HB22 MK8 11 -5.252 0.519 7.916
122 HB1B MK8 11 HB23 MK8 11 -4.354 -0.948 7.521
123 H ASP 12 HN ASP 12 -6.169 -0.961 3.666
124 HA ASP 12 HA ASP 12 -8.499 0.611 3.271
125 HB2 ASP 12 HB2 ASP 12 -7.331 -0.602 1.430
126 HB3 ASP 12 HB1 ASP 12 -7.855 -2.132 2.110
127 H SER 13 HN SER 13 -7.820 -2.466 4.835
128 HA SER 13 HA SER 13 -10.512 -3.298 5.323
129 HB2 SER 13 HB2 SER 13 -9.456 -4.962 6.846
130 HB3 SER 13 HB1 SER 13 -8.737 -4.979 5.239
131 HG SER 13 HG SER 13 -7.586 -3.345 7.217
132 HN1 NH2 14 HN1 NH2 14 -8.008 -1.748 7.258
133 HN2 NH2 14 HN2 NH2 14 -9.041 -1.262 8.551
Start of MODEL 6
1 H1 ACE 0 H1 ACE 0 6.928 0.625 -9.798
2 H2 ACE 0 H2 ACE 0 7.527 2.278 -9.935
3 H3 ACE 0 H3 ACE 0 5.797 1.975 -9.871
4 H GLU 1 HN GLU 1 5.118 2.899 -8.033
5 HA GLU 1 HA GLU 1 6.606 2.927 -5.585
6 HB2 GLU 1 HB2 GLU 1 3.836 3.882 -6.313
7 HB3 GLU 1 HB1 GLU 1 4.376 3.862 -4.640
8 HG2 GLU 1 HG2 GLU 1 5.720 5.376 -6.868
9 HG3 GLU 1 HG1 GLU 1 4.614 6.080 -5.705
10 H LYS 2 HN LYS 2 7.053 0.918 -4.929
11 HA LYS 2 HA LYS 2 5.166 -1.217 -4.734
12 HB2 LYS 2 HB2 LYS 2 7.702 -1.395 -5.152
13 HB3 LYS 2 HB1 LYS 2 7.880 -1.187 -3.419
14 HG2 LYS 2 HG2 LYS 2 6.591 -3.208 -3.016
15 HG3 LYS 2 HG1 LYS 2 6.360 -3.418 -4.750
16 HD2 LYS 2 HD2 LYS 2 8.771 -3.657 -5.051
17 HD3 LYS 2 HD1 LYS 2 9.020 -3.391 -3.326
18 HE2 LYS 2 HE2 LYS 2 7.684 -5.408 -2.852
19 HE3 LYS 2 HE1 LYS 2 7.540 -5.698 -4.587
20 HZ1 LYS 2 HZ1 LYS 2 9.962 -5.821 -2.896
21 HZ2 LYS 2 HZ2 LYS 2 10.054 -5.700 -4.582
22 HZ3 LYS 2 HZ3 LYS 2 9.288 -7.028 -3.873
23 H HIS 3 HN HIS 3 6.891 0.708 -2.220
24 HA HIS 3 HA HIS 3 5.636 -0.513 0.019
25 HB2 HIS 3 HB2 HIS 3 7.912 0.717 -0.090
26 HB3 HIS 3 HB1 HIS 3 6.950 2.190 0.018
27 HD1 HIS 3 HD1 HIS 3 7.011 -1.066 2.004
28 HD2 HIS 3 HD2 HIS 3 6.896 3.035 2.610
29 HE1 HIS 3 HE1 HIS 3 6.913 -0.744 4.504
30 HE2 HIS 3 HE2 HIS 3 6.836 1.727 4.837
31 H LYS 4 HN LYS 4 4.882 2.396 -1.906
32 HA LYS 4 HA LYS 4 2.922 3.497 -0.143
33 HB2 LYS 4 HB2 LYS 4 3.417 3.877 -3.094
34 HB3 LYS 4 HB1 LYS 4 2.152 4.738 -2.216
35 HG2 LYS 4 HG2 LYS 4 3.975 5.524 -0.638
36 HG3 LYS 4 HG1 LYS 4 5.132 4.947 -1.846
37 HD2 LYS 4 HD2 LYS 4 4.199 6.441 -3.500
38 HD3 LYS 4 HD1 LYS 4 2.928 6.933 -2.390
39 HE2 LYS 4 HE2 LYS 4 4.586 7.884 -0.893
40 HE3 LYS 4 HE1 LYS 4 5.883 7.384 -1.978
41 HZ1 LYS 4 HZ1 LYS 4 5.384 9.695 -2.305
42 HZ2 LYS 4 HZ2 LYS 4 3.742 9.372 -2.567
43 HZ3 LYS 4 HZ3 LYS 4 4.896 8.839 -3.678
44 H ILE 5 HN ILE 5 2.639 1.316 -3.003
45 HA ILE 5 HA ILE 5 -0.177 1.217 -3.034
46 HB ILE 5 HB ILE 5 1.222 0.725 -5.011
47 HG12 ILE 5 HG12 ILE 5 -0.045 -1.473 -5.708
48 HG13 ILE 5 HG11 ILE 5 -0.906 -1.213 -4.192
49 HG21 ILE 5 HG21 ILE 5 1.756 -2.029 -4.810
50 HG22 ILE 5 HG22 ILE 5 2.475 -1.256 -3.398
51 HG23 ILE 5 HG23 ILE 5 2.882 -0.694 -5.015
52 HD11 ILE 5 HD11 ILE 5 -2.061 -0.250 -6.149
53 HD12 ILE 5 HD12 ILE 5 -0.675 0.810 -6.413
54 HD13 ILE 5 HD13 ILE 5 -1.634 0.973 -4.945
55 H LEU 6 HN LEU 6 2.214 -0.872 -1.404
56 HA LEU 6 HA LEU 6 0.482 -2.904 -0.485
57 HB2 LEU 6 HB2 LEU 6 3.046 -2.872 -0.554
58 HB3 LEU 6 HB1 LEU 6 2.993 -1.948 0.923
59 HG LEU 6 HG LEU 6 3.622 -4.236 1.349
60 HD11 LEU 6 HD11 LEU 6 0.848 -4.073 2.474
61 HD12 LEU 6 HD12 LEU 6 2.146 -3.012 3.018
62 HD13 LEU 6 HD13 LEU 6 2.302 -4.758 3.198
63 HD21 LEU 6 HD21 LEU 6 1.306 -4.956 -0.312
64 HD22 LEU 6 HD22 LEU 6 1.588 -5.953 1.114
65 HD23 LEU 6 HD23 LEU 6 2.857 -5.765 -0.085
66 HN MK8 7 HN MK8 7 1.649 0.070 1.156
67 HB MK8 7 HB11 MK8 7 1.329 2.156 1.855
68 HBA MK8 7 HB12 MK8 7 2.145 1.579 3.287
69 HD MK8 7 HD11 MK8 7 1.543 2.744 5.612
70 HDA MK8 7 HD12 MK8 7 0.086 1.826 5.354
71 HE MK8 7 HE1 MK8 7 0.289 4.468 6.685
72 HG MK8 7 HG11 MK8 7 -0.316 3.325 3.344
73 HGA MK8 7 HG12 MK8 7 1.334 3.865 3.581
74 HB1 MK8 7 HB21 MK8 7 -0.213 -0.479 4.672
75 HB1A MK8 7 HB22 MK8 7 1.417 0.193 4.655
76 HB1B MK8 7 HB23 MK8 7 1.082 -1.313 3.806
77 H ARG 8 HN ARG 8 -0.933 1.150 0.629
78 HA ARG 8 HA ARG 8 -3.376 2.132 1.723
79 HB2 ARG 8 HB2 ARG 8 -2.544 1.652 -1.148
80 HB3 ARG 8 HB1 ARG 8 -4.037 2.461 -0.671
81 HG2 ARG 8 HG2 ARG 8 -2.634 4.147 0.557
82 HG3 ARG 8 HG1 ARG 8 -1.210 3.372 -0.163
83 HD2 ARG 8 HD2 ARG 8 -2.098 3.814 -2.411
84 HD3 ARG 8 HD1 ARG 8 -3.518 4.576 -1.688
85 HE ARG 8 HE ARG 8 -1.217 5.866 -0.716
86 HH11 ARG 8 HH11 ARG 8 -3.015 5.699 -3.796
87 HH12 ARG 8 HH12 ARG 8 -2.469 7.256 -4.319
88 HH21 ARG 8 HH21 ARG 8 -0.561 7.898 -1.459
89 HH22 ARG 8 HH22 ARG 8 -1.106 8.496 -2.996
90 H LEU 9 HN LEU 9 -2.564 -0.924 0.071
91 HA LEU 9 HA LEU 9 -5.235 -1.834 -0.285
92 HB2 LEU 9 HB2 LEU 9 -3.187 -2.610 -1.561
93 HB3 LEU 9 HB1 LEU 9 -2.721 -3.508 -0.129
94 HG LEU 9 HG LEU 9 -5.086 -4.648 -0.426
95 HD11 LEU 9 HD11 LEU 9 -6.246 -3.967 -2.204
96 HD12 LEU 9 HD12 LEU 9 -5.028 -4.734 -3.208
97 HD13 LEU 9 HD13 LEU 9 -4.883 -3.024 -2.803
98 HD21 LEU 9 HD21 LEU 9 -2.508 -5.351 -0.989
99 HD22 LEU 9 HD22 LEU 9 -3.311 -5.627 -2.531
100 HD23 LEU 9 HD23 LEU 9 -3.901 -6.442 -1.073
101 H LEU 10 HN LEU 10 -2.885 -2.087 2.365
102 HA LEU 10 HA LEU 10 -4.289 -4.080 3.880
103 HB2 LEU 10 HB2 LEU 10 -1.801 -3.625 3.935
104 HB3 LEU 10 HB1 LEU 10 -2.156 -2.212 4.901
105 HG LEU 10 HG LEU 10 -3.156 -4.887 5.806
106 HD11 LEU 10 HD11 LEU 10 -0.834 -5.309 5.271
107 HD12 LEU 10 HD12 LEU 10 -1.053 -5.251 7.024
108 HD13 LEU 10 HD13 LEU 10 -0.342 -3.878 6.179
109 HD21 LEU 10 HD21 LEU 10 -2.023 -2.611 7.411
110 HD22 LEU 10 HD22 LEU 10 -3.009 -3.961 7.979
111 HD23 LEU 10 HD23 LEU 10 -3.724 -2.718 6.956
112 HN MK8 11 HN MK8 11 -3.653 -0.609 4.665
113 HB MK8 11 HB11 MK8 11 -5.260 2.124 6.541
114 HBA MK8 11 HB12 MK8 11 -4.951 1.912 4.843
115 HD MK8 11 HD11 MK8 11 -3.628 3.711 5.354
116 HDA MK8 11 HD12 MK8 11 -2.403 2.885 4.452
117 HE MK8 11 HE1 MK8 11 -2.036 4.681 6.852
118 HG MK8 11 HG11 MK8 11 -2.645 0.973 5.604
119 HGA MK8 11 HG12 MK8 11 -3.021 1.783 7.118
120 HB1 MK8 11 HB21 MK8 11 -5.437 -1.477 7.445
121 HB1A MK8 11 HB22 MK8 11 -6.213 0.043 7.879
122 HB1B MK8 11 HB23 MK8 11 -4.452 -0.082 7.898
123 H ASP 12 HN ASP 12 -6.230 -0.912 3.658
124 HA ASP 12 HA ASP 12 -8.656 0.521 3.381
125 HB2 ASP 12 HB2 ASP 12 -7.389 -0.381 1.462
126 HB3 ASP 12 HB1 ASP 12 -7.815 -2.010 1.978
127 H SER 13 HN SER 13 -7.878 -2.756 4.513
128 HA SER 13 HA SER 13 -10.592 -3.613 4.947
129 HB2 SER 13 HB2 SER 13 -8.812 -5.250 4.491
130 HB3 SER 13 HB1 SER 13 -7.980 -4.775 5.982
131 HG SER 13 HG SER 13 -10.255 -6.343 5.631
132 HN1 NH2 14 HN1 NH2 14 -7.949 -2.662 7.091
133 HN2 NH2 14 HN2 NH2 14 -8.953 -2.288 8.453
Start of MODEL 7
1 H1 ACE 0 H1 ACE 0 10.438 1.837 -3.954
2 H2 ACE 0 H2 ACE 0 10.659 3.120 -5.150
3 H3 ACE 0 H3 ACE 0 10.262 1.476 -5.672
4 H GLU 1 HN GLU 1 8.449 2.289 -6.822
5 HA GLU 1 HA GLU 1 6.304 3.757 -5.640
6 HB2 GLU 1 HB2 GLU 1 6.999 3.590 -8.087
7 HB3 GLU 1 HB1 GLU 1 6.123 2.070 -8.121
8 HG2 GLU 1 HG2 GLU 1 4.754 4.565 -7.205
9 HG3 GLU 1 HG1 GLU 1 4.959 4.242 -8.929
10 H LYS 2 HN LYS 2 7.015 0.345 -5.601
11 HA LYS 2 HA LYS 2 4.371 -0.651 -5.359
12 HB2 LYS 2 HB2 LYS 2 5.429 -2.800 -4.734
13 HB3 LYS 2 HB1 LYS 2 6.062 -2.121 -6.212
14 HG2 LYS 2 HG2 LYS 2 8.017 -1.281 -4.899
15 HG3 LYS 2 HG1 LYS 2 7.400 -2.172 -3.515
16 HD2 LYS 2 HD2 LYS 2 7.786 -3.630 -6.080
17 HD3 LYS 2 HD1 LYS 2 9.201 -3.198 -5.124
18 HE2 LYS 2 HE2 LYS 2 6.833 -4.788 -4.138
19 HE3 LYS 2 HE1 LYS 2 8.392 -5.465 -4.610
20 HZ1 LYS 2 HZ1 LYS 2 7.728 -3.810 -2.262
21 HZ2 LYS 2 HZ2 LYS 2 9.318 -3.889 -2.830
22 HZ3 LYS 2 HZ3 LYS 2 8.533 -5.295 -2.315
23 H HIS 3 HN HIS 3 6.287 1.023 -3.109
24 HA HIS 3 HA HIS 3 5.477 -0.248 -0.648
25 HB2 HIS 3 HB2 HIS 3 7.558 1.174 -1.046
26 HB3 HIS 3 HB1 HIS 3 6.513 2.583 -0.986
27 HD1 HIS 3 HD1 HIS 3 4.931 2.391 1.454
28 HD2 HIS 3 HD2 HIS 3 8.800 0.872 1.328
29 HE1 HIS 3 HE1 HIS 3 5.680 2.259 3.847
30 HE2 HIS 3 HE2 HIS 3 7.975 1.255 3.756
31 H LYS 4 HN LYS 4 4.291 2.472 -2.587
32 HA LYS 4 HA LYS 4 2.356 3.505 -0.805
33 HB2 LYS 4 HB2 LYS 4 2.603 3.694 -3.811
34 HB3 LYS 4 HB1 LYS 4 1.427 4.595 -2.864
35 HG2 LYS 4 HG2 LYS 4 3.293 5.630 -1.622
36 HG3 LYS 4 HG1 LYS 4 4.422 4.815 -2.697
37 HD2 LYS 4 HD2 LYS 4 3.490 5.981 -4.611
38 HD3 LYS 4 HD1 LYS 4 2.265 6.734 -3.590
39 HE2 LYS 4 HE2 LYS 4 4.025 7.910 -2.342
40 HE3 LYS 4 HE1 LYS 4 5.250 7.143 -3.346
41 HZ1 LYS 4 HZ1 LYS 4 4.927 8.592 -4.986
42 HZ2 LYS 4 HZ2 LYS 4 4.086 9.545 -3.866
43 HZ3 LYS 4 HZ3 LYS 4 3.242 8.493 -4.885
44 H ILE 5 HN ILE 5 2.228 1.053 -3.395
45 HA ILE 5 HA ILE 5 -0.583 0.674 -3.450
46 HB ILE 5 HB ILE 5 1.373 -1.498 -4.216
47 HG12 ILE 5 HG12 ILE 5 2.284 0.448 -5.353
48 HG13 ILE 5 HG11 ILE 5 1.572 -0.630 -6.525
49 HG21 ILE 5 HG21 ILE 5 -0.860 -2.304 -4.338
50 HG22 ILE 5 HG22 ILE 5 -0.277 -2.074 -5.987
51 HG23 ILE 5 HG23 ILE 5 -1.383 -0.900 -5.279
52 HD11 ILE 5 HD11 ILE 5 1.107 1.573 -7.258
53 HD12 ILE 5 HD12 ILE 5 0.607 2.101 -5.655
54 HD13 ILE 5 HD13 ILE 5 -0.412 0.992 -6.580
55 H LEU 6 HN LEU 6 2.021 -1.020 -1.642
56 HA LEU 6 HA LEU 6 0.449 -3.068 -0.476
57 HB2 LEU 6 HB2 LEU 6 2.950 -2.976 -0.666
58 HB3 LEU 6 HB1 LEU 6 2.953 -1.837 0.670
59 HG LEU 6 HG LEU 6 1.641 -4.507 1.072
60 HD11 LEU 6 HD11 LEU 6 3.864 -5.368 1.831
61 HD12 LEU 6 HD12 LEU 6 4.605 -4.001 1.001
62 HD13 LEU 6 HD13 LEU 6 3.679 -5.192 0.091
63 HD21 LEU 6 HD21 LEU 6 1.423 -3.204 2.962
64 HD22 LEU 6 HD22 LEU 6 2.984 -2.419 2.736
65 HD23 LEU 6 HD23 LEU 6 2.914 -4.083 3.310
66 HN MK8 7 HN MK8 7 1.388 0.167 0.792
67 HB MK8 7 HB11 MK8 7 0.874 2.270 1.257
68 HBA MK8 7 HB12 MK8 7 1.762 1.970 2.730
69 HD MK8 7 HD11 MK8 7 0.970 3.502 4.917
70 HDA MK8 7 HD12 MK8 7 -0.233 2.224 4.810
71 HE MK8 7 HE1 MK8 7 -0.679 4.860 5.953
72 HG MK8 7 HG11 MK8 7 -0.850 3.472 2.558
73 HGA MK8 7 HG12 MK8 7 0.745 4.171 2.754
74 HB1 MK8 7 HB21 MK8 7 -0.249 -0.558 4.225
75 HB1A MK8 7 HB22 MK8 7 0.813 0.826 4.482
76 HB1B MK8 7 HB23 MK8 7 1.424 -0.618 3.667
77 H ARG 8 HN ARG 8 -1.319 1.051 0.240
78 HA ARG 8 HA ARG 8 -3.817 1.831 1.399
79 HB2 ARG 8 HB2 ARG 8 -3.105 1.261 -1.466
80 HB3 ARG 8 HB1 ARG 8 -4.615 1.980 -0.916
81 HG2 ARG 8 HG2 ARG 8 -3.311 3.860 0.059
82 HG3 ARG 8 HG1 ARG 8 -1.854 3.144 -0.623
83 HD2 ARG 8 HD2 ARG 8 -2.816 3.328 -2.865
84 HD3 ARG 8 HD1 ARG 8 -4.254 4.062 -2.183
85 HE ARG 8 HE ARG 8 -2.076 5.589 -1.364
86 HH11 ARG 8 HH11 ARG 8 -3.710 4.961 -4.470
87 HH12 ARG 8 HH12 ARG 8 -3.212 6.477 -5.153
88 HH21 ARG 8 HH21 ARG 8 -1.521 7.570 -2.309
89 HH22 ARG 8 HH22 ARG 8 -1.997 7.941 -3.936
90 H LEU 9 HN LEU 9 -2.790 -1.244 -0.035
91 HA LEU 9 HA LEU 9 -5.386 -2.399 -0.294
92 HB2 LEU 9 HB2 LEU 9 -3.245 -3.132 -1.496
93 HB3 LEU 9 HB1 LEU 9 -2.772 -3.891 0.011
94 HG LEU 9 HG LEU 9 -5.079 -5.145 -0.222
95 HD11 LEU 9 HD11 LEU 9 -4.814 -5.368 -3.048
96 HD12 LEU 9 HD12 LEU 9 -5.054 -3.672 -2.640
97 HD13 LEU 9 HD13 LEU 9 -6.217 -4.879 -2.108
98 HD21 LEU 9 HD21 LEU 9 -3.252 -6.250 -2.212
99 HD22 LEU 9 HD22 LEU 9 -3.797 -6.919 -0.674
100 HD23 LEU 9 HD23 LEU 9 -2.458 -5.772 -0.715
101 H LEU 10 HN LEU 10 -2.936 -2.255 2.222
102 HA LEU 10 HA LEU 10 -4.076 -4.142 4.033
103 HB2 LEU 10 HB2 LEU 10 -1.604 -3.190 3.723
104 HB3 LEU 10 HB1 LEU 10 -2.133 -2.039 4.913
105 HG LEU 10 HG LEU 10 -0.783 -3.754 5.942
106 HD11 LEU 10 HD11 LEU 10 -1.972 -3.467 7.770
107 HD12 LEU 10 HD12 LEU 10 -2.906 -4.896 7.320
108 HD13 LEU 10 HD13 LEU 10 -3.470 -3.296 6.849
109 HD21 LEU 10 HD21 LEU 10 -1.717 -6.135 6.092
110 HD22 LEU 10 HD22 LEU 10 -0.891 -5.645 4.606
111 HD23 LEU 10 HD23 LEU 10 -2.655 -5.698 4.668
112 HN MK8 11 HN MK8 11 -3.501 -0.572 4.539
113 HB MK8 11 HB11 MK8 11 -3.305 1.399 5.899
114 HBA MK8 11 HB12 MK8 11 -4.745 2.137 6.548
115 HD MK8 11 HD11 MK8 11 -3.610 3.918 3.223
116 HDA MK8 11 HD12 MK8 11 -2.561 2.598 3.613
117 HE MK8 11 HE1 MK8 11 -3.014 4.898 5.609
118 HG MK8 11 HG11 MK8 11 -5.338 3.109 4.605
119 HGA MK8 11 HG12 MK8 11 -4.767 1.770 3.636
120 HB1 MK8 11 HB21 MK8 11 -5.833 0.150 7.808
121 HB1A MK8 11 HB22 MK8 11 -4.067 0.177 7.721
122 HB1B MK8 11 HB23 MK8 11 -4.963 -1.312 7.371
123 H ASP 12 HN ASP 12 -6.252 -1.063 3.841
124 HA ASP 12 HA ASP 12 -8.670 0.393 3.599
125 HB2 ASP 12 HB2 ASP 12 -7.615 -0.891 1.728
126 HB3 ASP 12 HB1 ASP 12 -8.043 -2.386 2.536
127 H SER 13 HN SER 13 -7.899 -2.756 5.070
128 HA SER 13 HA SER 13 -10.562 -3.413 5.910
129 HB2 SER 13 HB2 SER 13 -8.908 -5.172 5.502
130 HB3 SER 13 HB1 SER 13 -7.905 -4.544 6.808
131 HG SER 13 HG SER 13 -9.850 -6.302 6.987
132 HN1 NH2 14 HN1 NH2 14 -7.663 -2.314 7.629
133 HN2 NH2 14 HN2 NH2 14 -8.512 -1.720 9.009
Start of MODEL 8
1 H1 ACE 0 H1 ACE 0 9.597 3.949 -5.802
2 H2 ACE 0 H2 ACE 0 9.584 2.265 -6.313
3 H3 ACE 0 H3 ACE 0 9.876 2.669 -4.622
4 H GLU 1 HN GLU 1 7.487 2.567 -7.210
5 HA GLU 1 HA GLU 1 5.207 3.440 -5.755
6 HB2 GLU 1 HB2 GLU 1 5.577 3.496 -8.276
7 HB3 GLU 1 HB1 GLU 1 5.225 1.779 -8.269
8 HG2 GLU 1 HG2 GLU 1 3.221 3.574 -7.041
9 HG3 GLU 1 HG1 GLU 1 3.393 3.638 -8.788
10 H LYS 2 HN LYS 2 6.948 0.654 -5.331
11 HA LYS 2 HA LYS 2 4.921 -1.344 -5.121
12 HB2 LYS 2 HB2 LYS 2 7.413 -1.677 -5.577
13 HB3 LYS 2 HB1 LYS 2 7.656 -1.459 -3.853
14 HG2 LYS 2 HG2 LYS 2 6.205 -3.402 -3.425
15 HG3 LYS 2 HG1 LYS 2 5.979 -3.604 -5.160
16 HD2 LYS 2 HD2 LYS 2 8.345 -4.030 -5.458
17 HD3 LYS 2 HD1 LYS 2 8.624 -3.745 -3.734
18 HE2 LYS 2 HE2 LYS 2 6.878 -5.935 -4.882
19 HE3 LYS 2 HE1 LYS 2 8.532 -6.149 -4.304
20 HZ1 LYS 2 HZ1 LYS 2 6.098 -5.546 -2.742
21 HZ2 LYS 2 HZ2 LYS 2 7.629 -5.159 -2.135
22 HZ3 LYS 2 HZ3 LYS 2 7.246 -6.770 -2.492
23 H HIS 3 HN HIS 3 6.651 0.666 -2.749
24 HA HIS 3 HA HIS 3 5.517 -0.512 -0.411
25 HB2 HIS 3 HB2 HIS 3 7.720 0.735 -0.568
26 HB3 HIS 3 HB1 HIS 3 6.805 2.230 -0.606
27 HD1 HIS 3 HD1 HIS 3 7.055 -0.794 1.711
28 HD2 HIS 3 HD2 HIS 3 6.521 3.307 1.862
29 HE1 HIS 3 HE1 HIS 3 6.993 -0.222 4.156
30 HE2 HIS 3 HE2 HIS 3 6.739 2.273 4.229
31 H LYS 4 HN LYS 4 4.597 2.149 -2.527
32 HA LYS 4 HA LYS 4 2.668 3.405 -0.855
33 HB2 LYS 4 HB2 LYS 4 2.981 3.395 -3.876
34 HB3 LYS 4 HB1 LYS 4 1.825 4.410 -3.002
35 HG2 LYS 4 HG2 LYS 4 3.712 5.441 -1.786
36 HG3 LYS 4 HG1 LYS 4 4.835 4.493 -2.767
37 HD2 LYS 4 HD2 LYS 4 3.997 5.561 -4.786
38 HD3 LYS 4 HD1 LYS 4 2.809 6.457 -3.833
39 HE2 LYS 4 HE2 LYS 4 4.626 7.593 -2.646
40 HE3 LYS 4 HE1 LYS 4 5.805 6.688 -3.583
41 HZ1 LYS 4 HZ1 LYS 4 4.465 9.082 -4.262
42 HZ2 LYS 4 HZ2 LYS 4 4.114 7.892 -5.413
43 HZ3 LYS 4 HZ3 LYS 4 5.727 8.295 -5.084
44 H ILE 5 HN ILE 5 2.340 0.945 -3.474
45 HA ILE 5 HA ILE 5 -0.458 0.758 -3.382
46 HB ILE 5 HB ILE 5 0.848 0.141 -5.352
47 HG12 ILE 5 HG12 ILE 5 -0.275 -2.161 -5.848
48 HG13 ILE 5 HG11 ILE 5 -1.071 -1.929 -4.291
49 HG21 ILE 5 HG21 ILE 5 1.616 -2.480 -4.134
50 HG22 ILE 5 HG22 ILE 5 2.674 -1.068 -4.091
51 HG23 ILE 5 HG23 ILE 5 2.175 -1.747 -5.638
52 HD11 ILE 5 HD11 ILE 5 -1.333 -0.302 -6.802
53 HD12 ILE 5 HD12 ILE 5 -1.829 0.320 -5.233
54 HD13 ILE 5 HD13 ILE 5 -2.577 -1.141 -5.876
55 H LEU 6 HN LEU 6 2.057 -1.103 -1.647
56 HA LEU 6 HA LEU 6 0.427 -3.128 -0.547
57 HB2 LEU 6 HB2 LEU 6 2.978 -3.054 -0.615
58 HB3 LEU 6 HB1 LEU 6 2.896 -1.990 0.776
59 HG LEU 6 HG LEU 6 1.499 -3.963 1.822
60 HD11 LEU 6 HD11 LEU 6 2.673 -6.130 1.017
61 HD12 LEU 6 HD12 LEU 6 2.912 -5.233 -0.479
62 HD13 LEU 6 HD13 LEU 6 1.277 -5.512 0.131
63 HD21 LEU 6 HD21 LEU 6 4.017 -5.009 2.189
64 HD22 LEU 6 HD22 LEU 6 3.332 -3.661 3.106
65 HD23 LEU 6 HD23 LEU 6 4.345 -3.347 1.701
66 HN MK8 7 HN MK8 7 1.840 -0.293 1.229
67 HB MK8 7 HB11 MK8 7 1.625 1.924 1.898
68 HBA MK8 7 HB12 MK8 7 2.244 1.246 3.390
69 HD MK8 7 HD11 MK8 7 1.224 2.294 5.754
70 HDA MK8 7 HD12 MK8 7 -0.292 1.707 5.137
71 HE MK8 7 HE1 MK8 7 0.139 4.603 6.079
72 HG MK8 7 HG11 MK8 7 0.036 3.293 3.167
73 HGA MK8 7 HG12 MK8 7 1.651 3.540 3.779
74 HB1 MK8 7 HB21 MK8 7 1.347 -0.049 4.621
75 HB1A MK8 7 HB22 MK8 7 1.105 -1.519 3.672
76 HB1B MK8 7 HB23 MK8 7 -0.266 -0.748 4.470
77 H ARG 8 HN ARG 8 -0.873 0.994 0.463
78 HA ARG 8 HA ARG 8 -3.177 2.230 1.561
79 HB2 ARG 8 HB2 ARG 8 -2.400 1.521 -1.268
80 HB3 ARG 8 HB1 ARG 8 -3.904 2.340 -0.874
81 HG2 ARG 8 HG2 ARG 8 -2.536 4.119 0.253
82 HG3 ARG 8 HG1 ARG 8 -1.101 3.360 -0.457
83 HD2 ARG 8 HD2 ARG 8 -2.031 3.672 -2.708
84 HD3 ARG 8 HD1 ARG 8 -3.477 4.409 -2.000
85 HE ARG 8 HE ARG 8 -1.238 5.839 -1.114
86 HH11 ARG 8 HH11 ARG 8 -2.959 5.410 -4.211
87 HH12 ARG 8 HH12 ARG 8 -2.390 6.915 -4.850
88 HH21 ARG 8 HH21 ARG 8 -0.603 7.841 -2.013
89 HH22 ARG 8 HH22 ARG 8 -1.097 8.290 -3.610
90 H LEU 9 HN LEU 9 -2.699 -0.969 0.030
91 HA LEU 9 HA LEU 9 -5.462 -1.674 -0.137
92 HB2 LEU 9 HB2 LEU 9 -3.553 -2.688 -1.452
93 HB3 LEU 9 HB1 LEU 9 -3.065 -3.553 -0.014
94 HG LEU 9 HG LEU 9 -5.549 -4.475 -0.117
95 HD11 LEU 9 HD11 LEU 9 -5.696 -2.881 -2.295
96 HD12 LEU 9 HD12 LEU 9 -6.677 -4.324 -2.045
97 HD13 LEU 9 HD13 LEU 9 -5.215 -4.411 -3.037
98 HD21 LEU 9 HD21 LEU 9 -4.603 -6.405 -0.743
99 HD22 LEU 9 HD22 LEU 9 -3.099 -5.489 -0.670
100 HD23 LEU 9 HD23 LEU 9 -3.914 -5.724 -2.215
101 H LEU 10 HN LEU 10 -3.040 -1.815 2.378
102 HA LEU 10 HA LEU 10 -4.356 -3.688 4.102
103 HB2 LEU 10 HB2 LEU 10 -1.877 -3.205 4.057
104 HB3 LEU 10 HB1 LEU 10 -2.208 -1.699 4.881
105 HG LEU 10 HG LEU 10 -3.128 -4.261 6.129
106 HD11 LEU 10 HD11 LEU 10 -0.688 -4.461 5.366
107 HD12 LEU 10 HD12 LEU 10 -1.054 -4.754 7.062
108 HD13 LEU 10 HD13 LEU 10 -0.349 -3.216 6.572
109 HD21 LEU 10 HD21 LEU 10 -3.805 -2.221 7.193
110 HD22 LEU 10 HD22 LEU 10 -2.163 -1.605 7.191
111 HD23 LEU 10 HD23 LEU 10 -2.580 -2.995 8.190
112 HN MK8 11 HN MK8 11 -3.867 -0.073 4.500
113 HB MK8 11 HB11 MK8 11 -5.418 2.682 6.305
114 HBA MK8 11 HB12 MK8 11 -5.737 2.364 4.622
115 HD MK8 11 HD11 MK8 11 -2.203 1.550 6.387
116 HDA MK8 11 HD12 MK8 11 -3.364 2.564 7.224
117 HE MK8 11 HE1 MK8 11 -2.029 4.569 6.909
118 HG MK8 11 HG11 MK8 11 -3.674 3.389 4.630
119 HGA MK8 11 HG12 MK8 11 -3.293 1.693 4.430
120 HB1 MK8 11 HB21 MK8 11 -5.971 0.817 7.890
121 HB1A MK8 11 HB22 MK8 11 -4.240 0.801 7.554
122 HB1B MK8 11 HB23 MK8 11 -5.156 -0.703 7.512
123 H ASP 12 HN ASP 12 -6.453 -0.508 3.734
124 HA ASP 12 HA ASP 12 -9.135 0.439 3.733
125 HB2 ASP 12 HB2 ASP 12 -7.869 -0.222 1.687
126 HB3 ASP 12 HB1 ASP 12 -7.967 -1.907 2.201
127 H SER 13 HN SER 13 -7.730 -2.785 4.433
128 HA SER 13 HA SER 13 -10.185 -3.994 5.253
129 HB2 SER 13 HB2 SER 13 -7.320 -4.879 5.714
130 HB3 SER 13 HB1 SER 13 -8.749 -5.892 5.911
131 HG SER 13 HG SER 13 -8.422 -4.614 3.450
132 HN1 NH2 14 HN1 NH2 14 -7.350 -2.790 6.988
133 HN2 NH2 14 HN2 NH2 14 -8.096 -2.702 8.547
Start of MODEL 9
1 H1 ACE 0 H1 ACE 0 9.879 1.875 -6.116
2 H2 ACE 0 H2 ACE 0 10.159 2.560 -4.518
3 H3 ACE 0 H3 ACE 0 9.983 3.620 -5.916
4 H GLU 1 HN GLU 1 7.838 2.467 -7.218
5 HA GLU 1 HA GLU 1 5.589 3.577 -5.874
6 HB2 GLU 1 HB2 GLU 1 6.111 3.414 -8.410
7 HB3 GLU 1 HB1 GLU 1 5.444 1.796 -8.308
8 HG2 GLU 1 HG2 GLU 1 3.713 3.186 -9.080
9 HG3 GLU 1 HG1 GLU 1 3.346 2.833 -7.389
10 H LYS 2 HN LYS 2 7.005 0.565 -5.423
11 HA LYS 2 HA LYS 2 4.762 -1.174 -5.246
12 HB2 LYS 2 HB2 LYS 2 7.222 -1.783 -5.653
13 HB3 LYS 2 HB1 LYS 2 7.417 -1.631 -3.912
14 HG2 LYS 2 HG2 LYS 2 5.739 -3.388 -3.573
15 HG3 LYS 2 HG1 LYS 2 5.570 -3.540 -5.326
16 HD2 LYS 2 HD2 LYS 2 7.933 -4.160 -5.502
17 HD3 LYS 2 HD1 LYS 2 8.114 -3.998 -3.756
18 HE2 LYS 2 HE2 LYS 2 6.478 -5.768 -3.417
19 HE3 LYS 2 HE1 LYS 2 6.284 -5.940 -5.158
20 HZ1 LYS 2 HZ1 LYS 2 7.794 -7.567 -4.704
21 HZ2 LYS 2 HZ2 LYS 2 8.536 -6.713 -3.451
22 HZ3 LYS 2 HZ3 LYS 2 8.841 -6.288 -5.055
23 H HIS 3 HN HIS 3 6.534 0.803 -2.865
24 HA HIS 3 HA HIS 3 5.418 -0.333 -0.502
25 HB2 HIS 3 HB2 HIS 3 7.632 0.986 -0.763
26 HB3 HIS 3 HB1 HIS 3 6.630 2.439 -0.701
27 HD1 HIS 3 HD1 HIS 3 5.007 2.438 1.615
28 HD2 HIS 3 HD2 HIS 3 8.569 0.292 1.688
29 HE1 HIS 3 HE1 HIS 3 5.595 2.177 4.032
30 HE2 HIS 3 HE2 HIS 3 7.706 0.842 4.068
31 H LYS 4 HN LYS 4 4.387 2.243 -2.666
32 HA LYS 4 HA LYS 4 2.530 3.551 -0.990
33 HB2 LYS 4 HB2 LYS 4 2.798 3.422 -3.992
34 HB3 LYS 4 HB1 LYS 4 1.557 4.366 -3.185
35 HG2 LYS 4 HG2 LYS 4 3.406 5.523 -1.936
36 HG3 LYS 4 HG1 LYS 4 4.528 4.713 -3.024
37 HD2 LYS 4 HD2 LYS 4 3.495 5.766 -4.929
38 HD3 LYS 4 HD1 LYS 4 2.273 6.500 -3.903
39 HE2 LYS 4 HE2 LYS 4 3.997 7.807 -2.770
40 HE3 LYS 4 HE1 LYS 4 5.238 7.042 -3.765
41 HZ1 LYS 4 HZ1 LYS 4 4.353 8.082 -5.702
42 HZ2 LYS 4 HZ2 LYS 4 4.526 9.286 -4.530
43 HZ3 LYS 4 HZ3 LYS 4 2.998 8.650 -4.865
44 H ILE 5 HN ILE 5 2.029 1.064 -3.576
45 HA ILE 5 HA ILE 5 -0.729 0.820 -3.126
46 HB ILE 5 HB ILE 5 -0.762 -1.182 -4.567
47 HG12 ILE 5 HG12 ILE 5 2.079 -0.731 -5.364
48 HG13 ILE 5 HG11 ILE 5 1.802 -1.691 -3.919
49 HG21 ILE 5 HG21 ILE 5 -0.907 0.225 -6.276
50 HG22 ILE 5 HG22 ILE 5 0.812 0.624 -6.206
51 HG23 ILE 5 HG23 ILE 5 -0.335 1.472 -5.167
52 HD11 ILE 5 HD11 ILE 5 1.426 -2.363 -6.740
53 HD12 ILE 5 HD12 ILE 5 0.093 -2.848 -5.692
54 HD13 ILE 5 HD13 ILE 5 1.719 -3.407 -5.347
55 H LEU 6 HN LEU 6 1.984 -0.919 -1.605
56 HA LEU 6 HA LEU 6 0.475 -3.037 -0.493
57 HB2 LEU 6 HB2 LEU 6 3.004 -2.904 -0.646
58 HB3 LEU 6 HB1 LEU 6 2.970 -1.804 0.710
59 HG LEU 6 HG LEU 6 1.670 -3.805 1.855
60 HD11 LEU 6 HD11 LEU 6 2.991 -5.038 -0.514
61 HD12 LEU 6 HD12 LEU 6 1.440 -5.412 0.235
62 HD13 LEU 6 HD13 LEU 6 2.944 -5.937 1.003
63 HD21 LEU 6 HD21 LEU 6 4.509 -3.119 1.638
64 HD22 LEU 6 HD22 LEU 6 4.204 -4.770 2.158
65 HD23 LEU 6 HD23 LEU 6 3.516 -3.423 3.065
66 HN MK8 7 HN MK8 7 1.768 -0.106 1.148
67 HB MK8 7 HB11 MK8 7 1.440 2.068 1.813
68 HBA MK8 7 HB12 MK8 7 2.235 1.445 3.240
69 HD MK8 7 HD11 MK8 7 1.620 2.524 5.580
70 HDA MK8 7 HD12 MK8 7 0.080 1.745 5.260
71 HE MK8 7 HE1 MK8 7 0.497 4.345 6.659
72 HG MK8 7 HG11 MK8 7 -0.158 3.264 3.281
73 HGA MK8 7 HG12 MK8 7 1.493 3.732 3.538
74 HB1 MK8 7 HB21 MK8 7 1.812 -0.522 4.078
75 HB1A MK8 7 HB22 MK8 7 0.317 -1.438 3.886
76 HB1B MK8 7 HB23 MK8 7 0.334 0.040 4.843
77 H ARG 8 HN ARG 8 -0.972 0.983 0.524
78 HA ARG 8 HA ARG 8 -3.341 2.085 1.701
79 HB2 ARG 8 HB2 ARG 8 -2.584 1.436 -1.131
80 HB3 ARG 8 HB1 ARG 8 -4.087 2.232 -0.695
81 HG2 ARG 8 HG2 ARG 8 -2.702 3.996 0.435
82 HG3 ARG 8 HG1 ARG 8 -1.281 3.241 -0.282
83 HD2 ARG 8 HD2 ARG 8 -2.234 3.602 -2.501
84 HD3 ARG 8 HD1 ARG 8 -3.658 4.344 -1.777
85 HE ARG 8 HE ARG 8 -1.370 5.723 -0.895
86 HH11 ARG 8 HH11 ARG 8 -3.179 5.390 -3.946
87 HH12 ARG 8 HH12 ARG 8 -2.708 6.944 -4.546
88 HH21 ARG 8 HH21 ARG 8 -0.754 7.753 -1.757
89 HH22 ARG 8 HH22 ARG 8 -1.323 8.273 -3.303
90 H LEU 9 HN LEU 9 -2.663 -1.051 0.122
91 HA LEU 9 HA LEU 9 -5.340 -1.953 -0.079
92 HB2 LEU 9 HB2 LEU 9 -3.318 -2.768 -1.388
93 HB3 LEU 9 HB1 LEU 9 -2.867 -3.658 0.044
94 HG LEU 9 HG LEU 9 -5.246 -4.724 -0.180
95 HD11 LEU 9 HD11 LEU 9 -5.254 -4.884 -2.963
96 HD12 LEU 9 HD12 LEU 9 -5.080 -3.167 -2.619
97 HD13 LEU 9 HD13 LEU 9 -6.440 -4.068 -1.947
98 HD21 LEU 9 HD21 LEU 9 -2.664 -5.360 -1.412
99 HD22 LEU 9 HD22 LEU 9 -4.040 -6.191 -2.140
100 HD23 LEU 9 HD23 LEU 9 -3.722 -6.356 -0.420
101 H LEU 10 HN LEU 10 -2.894 -2.072 2.433
102 HA LEU 10 HA LEU 10 -4.080 -4.081 4.079
103 HB2 LEU 10 HB2 LEU 10 -1.600 -3.053 3.922
104 HB3 LEU 10 HB1 LEU 10 -2.181 -2.084 5.240
105 HG LEU 10 HG LEU 10 -0.813 -3.896 6.054
106 HD11 LEU 10 HD11 LEU 10 -3.151 -3.294 7.215
107 HD12 LEU 10 HD12 LEU 10 -1.999 -4.451 7.885
108 HD13 LEU 10 HD13 LEU 10 -3.376 -5.024 6.956
109 HD21 LEU 10 HD21 LEU 10 -1.960 -6.299 5.843
110 HD22 LEU 10 HD22 LEU 10 -0.731 -5.704 4.722
111 HD23 LEU 10 HD23 LEU 10 -2.444 -5.610 4.293
112 HN MK8 11 HN MK8 11 -3.586 -0.553 4.713
113 HB MK8 11 HB11 MK8 11 -5.145 2.164 6.583
114 HBA MK8 11 HB12 MK8 11 -4.854 1.917 4.878
115 HD MK8 11 HD11 MK8 11 -3.530 3.778 5.530
116 HDA MK8 11 HD12 MK8 11 -2.373 2.963 4.500
117 HE MK8 11 HE1 MK8 11 -1.779 4.664 6.904
118 HG MK8 11 HG11 MK8 11 -2.524 1.010 5.614
119 HGA MK8 11 HG12 MK8 11 -2.916 1.769 7.145
120 HB1 MK8 11 HB21 MK8 11 -5.992 -1.118 7.590
121 HB1A MK8 11 HB22 MK8 11 -5.570 0.522 8.080
122 HB1B MK8 11 HB23 MK8 11 -4.298 -0.672 7.811
123 H ASP 12 HN ASP 12 -6.134 -1.049 3.856
124 HA ASP 12 HA ASP 12 -8.506 0.425 3.367
125 HB2 ASP 12 HB2 ASP 12 -7.229 -0.845 1.631
126 HB3 ASP 12 HB1 ASP 12 -7.825 -2.337 2.335
127 H SER 13 HN SER 13 -7.986 -2.855 4.652
128 HA SER 13 HA SER 13 -10.721 -3.400 5.263
129 HB2 SER 13 HB2 SER 13 -8.165 -4.792 6.095
130 HB3 SER 13 HB1 SER 13 -9.784 -5.407 6.446
131 HG SER 13 HG SER 13 -8.335 -5.429 4.115
132 HN1 NH2 14 HN1 NH2 14 -7.912 -2.539 7.221
133 HN2 NH2 14 HN2 NH2 14 -8.800 -2.081 8.626
Start of MODEL 10
1 H1 ACE 0 H1 ACE 0 9.629 2.216 -6.316
2 H2 ACE 0 H2 ACE 0 9.920 2.668 -4.639
3 H3 ACE 0 H3 ACE 0 9.666 3.921 -5.861
4 H GLU 1 HN GLU 1 7.504 2.596 -7.228
5 HA GLU 1 HA GLU 1 5.269 3.498 -5.734
6 HB2 GLU 1 HB2 GLU 1 5.663 3.476 -8.263
7 HB3 GLU 1 HB1 GLU 1 5.120 1.800 -8.209
8 HG2 GLU 1 HG2 GLU 1 2.976 2.535 -7.314
9 HG3 GLU 1 HG1 GLU 1 3.526 4.208 -7.334
10 H LYS 2 HN LYS 2 6.945 0.687 -5.328
11 HA LYS 2 HA LYS 2 4.898 -1.284 -5.115
12 HB2 LYS 2 HB2 LYS 2 7.373 -1.648 -5.581
13 HB3 LYS 2 HB1 LYS 2 7.640 -1.427 -3.857
14 HG2 LYS 2 HG2 LYS 2 6.178 -3.350 -3.406
15 HG3 LYS 2 HG1 LYS 2 5.935 -3.560 -5.142
16 HD2 LYS 2 HD2 LYS 2 8.339 -3.932 -5.429
17 HD3 LYS 2 HD1 LYS 2 8.569 -3.714 -3.696
18 HE2 LYS 2 HE2 LYS 2 7.161 -5.653 -3.248
19 HE3 LYS 2 HE1 LYS 2 6.870 -5.841 -4.970
20 HZ1 LYS 2 HZ1 LYS 2 9.004 -6.552 -5.352
21 HZ2 LYS 2 HZ2 LYS 2 8.651 -7.282 -3.875
22 HZ3 LYS 2 HZ3 LYS 2 9.616 -5.889 -3.920
23 H HIS 3 HN HIS 3 6.653 0.754 -2.745
24 HA HIS 3 HA HIS 3 5.537 -0.405 -0.379
25 HB2 HIS 3 HB2 HIS 3 7.739 0.951 -0.612
26 HB3 HIS 3 HB1 HIS 3 6.719 2.385 -0.579
27 HD1 HIS 3 HD1 HIS 3 4.956 2.213 1.684
28 HD2 HIS 3 HD2 HIS 3 8.730 0.477 1.888
29 HE1 HIS 3 HE1 HIS 3 5.479 2.017 4.142
30 HE2 HIS 3 HE2 HIS 3 7.757 0.935 4.223
31 H LYS 4 HN LYS 4 4.587 2.213 -2.543
32 HA LYS 4 HA LYS 4 2.637 3.466 -0.883
33 HB2 LYS 4 HB2 LYS 4 2.948 3.435 -3.893
34 HB3 LYS 4 HB1 LYS 4 1.785 4.434 -3.027
35 HG2 LYS 4 HG2 LYS 4 3.719 5.433 -1.777
36 HG3 LYS 4 HG1 LYS 4 4.789 4.591 -2.897
37 HD2 LYS 4 HD2 LYS 4 3.747 5.758 -4.768
38 HD3 LYS 4 HD1 LYS 4 2.674 6.604 -3.648
39 HE2 LYS 4 HE2 LYS 4 4.580 7.663 -2.589
40 HE3 LYS 4 HE1 LYS 4 5.689 6.770 -3.632
41 HZ1 LYS 4 HZ1 LYS 4 4.354 7.881 -5.514
42 HZ2 LYS 4 HZ2 LYS 4 5.506 8.799 -4.682
43 HZ3 LYS 4 HZ3 LYS 4 3.861 8.974 -4.319
44 H ILE 5 HN ILE 5 2.349 0.912 -3.424
45 HA ILE 5 HA ILE 5 -0.478 0.714 -3.374
46 HB ILE 5 HB ILE 5 0.894 -0.008 -5.319
47 HG12 ILE 5 HG12 ILE 5 -0.255 -2.308 -5.690
48 HG13 ILE 5 HG11 ILE 5 -1.107 -1.945 -4.202
49 HG21 ILE 5 HG21 ILE 5 2.768 -1.122 -4.439
50 HG22 ILE 5 HG22 ILE 5 1.860 -2.318 -5.360
51 HG23 ILE 5 HG23 ILE 5 1.765 -2.312 -3.604
52 HD11 ILE 5 HD11 ILE 5 -1.308 -0.625 -6.852
53 HD12 ILE 5 HD12 ILE 5 -1.576 0.352 -5.417
54 HD13 ILE 5 HD13 ILE 5 -2.576 -1.071 -5.705
55 H LEU 6 HN LEU 6 2.059 -1.022 -1.539
56 HA LEU 6 HA LEU 6 0.448 -3.017 -0.317
57 HB2 LEU 6 HB2 LEU 6 2.987 -2.886 -0.454
58 HB3 LEU 6 HB1 LEU 6 2.909 -1.786 0.901
59 HG LEU 6 HG LEU 6 1.601 -3.735 2.057
60 HD11 LEU 6 HD11 LEU 6 2.053 -5.912 1.358
61 HD12 LEU 6 HD12 LEU 6 3.329 -5.389 0.256
62 HD13 LEU 6 HD13 LEU 6 1.637 -5.069 -0.128
63 HD21 LEU 6 HD21 LEU 6 4.373 -2.986 1.828
64 HD22 LEU 6 HD22 LEU 6 4.205 -4.701 2.212
65 HD23 LEU 6 HD23 LEU 6 3.454 -3.483 3.252
66 HN MK8 7 HN MK8 7 1.503 0.198 0.897
67 HB MK8 7 HB11 MK8 7 1.518 2.114 1.452
68 HBA MK8 7 HB12 MK8 7 1.908 1.957 3.137
69 HD MK8 7 HD11 MK8 7 -1.305 3.053 3.739
70 HDA MK8 7 HD12 MK8 7 -0.782 4.699 3.980
71 HE MK8 7 HE1 MK8 7 1.076 3.456 5.599
72 HG MK8 7 HG11 MK8 7 -0.012 3.845 1.877
73 HGA MK8 7 HG12 MK8 7 1.343 4.187 2.920
74 HB1 MK8 7 HB21 MK8 7 0.400 0.820 4.674
75 HB1A MK8 7 HB22 MK8 7 1.640 -0.174 3.900
76 HB1B MK8 7 HB23 MK8 7 -0.012 -0.774 4.035
77 H ARG 8 HN ARG 8 -1.122 1.078 0.284
78 HA ARG 8 HA ARG 8 -3.590 2.125 1.351
79 HB2 ARG 8 HB2 ARG 8 -2.772 1.356 -1.448
80 HB3 ARG 8 HB1 ARG 8 -4.321 2.084 -1.053
81 HG2 ARG 8 HG2 ARG 8 -3.040 4.033 -0.102
82 HG3 ARG 8 HG1 ARG 8 -1.585 3.331 -0.826
83 HD2 ARG 8 HD2 ARG 8 -2.723 3.369 -3.020
84 HD3 ARG 8 HD1 ARG 8 -4.100 4.161 -2.270
85 HE ARG 8 HE ARG 8 -1.847 5.701 -1.691
86 HH11 ARG 8 HH11 ARG 8 -3.706 4.934 -4.628
87 HH12 ARG 8 HH12 ARG 8 -3.213 6.381 -5.447
88 HH21 ARG 8 HH21 ARG 8 -1.283 7.591 -2.802
89 HH22 ARG 8 HH22 ARG 8 -1.866 7.893 -4.405
90 H LEU 9 HN LEU 9 -2.753 -1.042 -0.086
91 HA LEU 9 HA LEU 9 -5.390 -2.036 -0.261
92 HB2 LEU 9 HB2 LEU 9 -3.314 -2.798 -1.526
93 HB3 LEU 9 HB1 LEU 9 -2.902 -3.700 -0.078
94 HG LEU 9 HG LEU 9 -5.332 -4.709 -0.410
95 HD11 LEU 9 HD11 LEU 9 -4.561 -3.931 -3.218
96 HD12 LEU 9 HD12 LEU 9 -5.927 -3.306 -2.298
97 HD13 LEU 9 HD13 LEU 9 -5.886 -5.002 -2.772
98 HD21 LEU 9 HD21 LEU 9 -2.752 -5.569 -0.858
99 HD22 LEU 9 HD22 LEU 9 -3.594 -5.964 -2.357
100 HD23 LEU 9 HD23 LEU 9 -4.208 -6.563 -0.816
101 H LEU 10 HN LEU 10 -2.895 -2.229 2.267
102 HA LEU 10 HA LEU 10 -4.164 -4.250 3.852
103 HB2 LEU 10 HB2 LEU 10 -1.698 -3.787 3.779
104 HB3 LEU 10 HB1 LEU 10 -1.982 -2.330 4.683
105 HG LEU 10 HG LEU 10 -2.994 -3.904 6.474
106 HD11 LEU 10 HD11 LEU 10 -1.184 -6.031 5.948
107 HD12 LEU 10 HD12 LEU 10 -2.278 -5.865 4.575
108 HD13 LEU 10 HD13 LEU 10 -2.924 -6.089 6.199
109 HD21 LEU 10 HD21 LEU 10 -0.732 -4.288 7.421
110 HD22 LEU 10 HD22 LEU 10 -1.019 -2.641 6.871
111 HD23 LEU 10 HD23 LEU 10 -0.052 -3.738 5.889
112 HN MK8 11 HN MK8 11 -3.452 -0.823 4.781
113 HB MK8 11 HB11 MK8 11 -4.717 1.747 7.004
114 HBA MK8 11 HB12 MK8 11 -4.645 1.779 5.250
115 HD MK8 11 HD11 MK8 11 -2.658 2.929 7.484
116 HDA MK8 11 HD12 MK8 11 -2.730 3.336 5.783
117 HE MK8 11 HE1 MK8 11 -0.234 2.745 7.392
118 HG MK8 11 HG11 MK8 11 -2.394 0.969 5.228
119 HGA MK8 11 HG12 MK8 11 -2.453 0.573 6.949
120 HB1 MK8 11 HB21 MK8 11 -5.045 0.061 8.242
121 HB1A MK8 11 HB22 MK8 11 -4.223 -1.401 7.712
122 HB1B MK8 11 HB23 MK8 11 -5.990 -1.331 7.700
123 H ASP 12 HN ASP 12 -6.085 -1.056 3.901
124 HA ASP 12 HA ASP 12 -8.361 0.604 3.648
125 HB2 ASP 12 HB2 ASP 12 -7.202 -0.575 1.741
126 HB3 ASP 12 HB1 ASP 12 -7.936 -2.070 2.310
127 H SER 13 HN SER 13 -7.883 -2.713 4.855
128 HA SER 13 HA SER 13 -10.630 -3.341 5.300
129 HB2 SER 13 HB2 SER 13 -8.116 -4.602 6.374
130 HB3 SER 13 HB1 SER 13 -9.734 -5.278 6.560
131 HG SER 13 HG SER 13 -8.471 -6.093 4.766
132 HN1 NH2 14 HN1 NH2 14 -7.977 -2.251 7.354
133 HN2 NH2 14 HN2 NH2 14 -8.963 -1.806 8.704