Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
10813 | 1qfa RC | 4398 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 23 1HA ACE 23 -2.864 0.904 0.755
2 2H ACE 23 2HA ACE 23 -1.758 -0.154 1.629
3 3H ACE 23 3HA ACE 23 -3.012 -0.842 0.593
4 H LEU 24 H LEU 24 0.233 0.086 0.688
5 HA LEU 24 HA LEU 24 0.703 0.979 -1.908
6 1HB LEU 24 1HB LEU 24 2.240 1.005 0.125
7 2HB LEU 24 2HB LEU 24 2.488 -0.705 -0.089
8 HG LEU 24 HG LEU 24 3.026 0.655 -2.636
9 1HD1 LEU 24 1HD1 LEU 24 4.503 1.827 -0.237
10 2HD1 LEU 24 2HD1 LEU 24 4.903 2.117 -1.920
11 3HD1 LEU 24 3HD1 LEU 24 3.382 2.694 -1.271
12 1HD2 LEU 24 1HD2 LEU 24 4.787 -0.758 -0.594
13 2HD2 LEU 24 2HD2 LEU 24 4.030 -1.461 -2.030
14 3HD2 LEU 24 3HD2 LEU 24 5.320 -0.289 -2.199
15 H ARG 25 H ARG 25 -0.435 -1.831 -1.004
16 HA ARG 25 HA ARG 25 0.776 -3.666 -2.934
17 1HB ARG 25 1HB ARG 25 -1.865 -3.701 -1.359
18 2HB ARG 25 2HB ARG 25 -1.531 -4.887 -2.593
19 1HG ARG 25 1HG ARG 25 -0.881 -5.845 -0.502
20 2HG ARG 25 2HG ARG 25 0.568 -5.567 -1.436
21 1HD ARG 25 1HD ARG 25 -0.367 -3.337 0.362
22 2HD ARG 25 2HD ARG 25 0.289 -4.785 1.108
23 HE ARG 25 HE ARG 25 1.730 -3.312 -1.052
24 1HH1 ARG 25 1HH1 ARG 25 1.743 -4.693 2.153
25 2HH1 ARG 25 2HH1 ARG 25 3.405 -4.437 2.402
26 1HH2 ARG 25 1HH2 ARG 25 3.953 -2.982 -0.726
27 2HH2 ARG 25 2HH2 ARG 25 4.689 -3.436 0.753
28 H HIS 26 H HIS 26 -1.975 -1.524 -2.699
29 HA HIS 26 HA HIS 26 -3.289 -1.903 -5.062
30 1HB HIS 26 1HB HIS 26 -3.751 -0.116 -3.257
31 2HB HIS 26 2HB HIS 26 -2.602 0.901 -4.120
32 HD1 HIS 26 HD1 HIS 26 -3.373 1.801 -6.378
33 HD2 HIS 26 HD2 HIS 26 -6.009 -0.897 -4.659
34 HE1 HIS 26 HE1 HIS 26 -5.522 1.831 -7.671
35 H TYR 27 H TYR 27 -0.105 -0.718 -4.626
36 HA TYR 27 HA TYR 27 0.118 -0.176 -7.530
37 1HB TYR 27 1HB TYR 27 0.343 1.893 -6.237
38 2HB TYR 27 2HB TYR 27 1.449 1.122 -5.112
39 HD1 TYR 27 HD1 TYR 27 1.380 1.218 -8.856
40 HD2 TYR 27 HD2 TYR 27 3.518 2.197 -5.302
41 HE1 TYR 27 HE1 TYR 27 3.263 1.990 -10.210
42 HE2 TYR 27 HE2 TYR 27 5.409 2.978 -6.673
43 HH TYR 27 HH TYR 27 5.708 2.279 -9.935
44 H LEU 28 H LEU 28 1.562 -1.968 -4.942
45 HA LEU 28 HA LEU 28 3.867 -2.703 -6.623
46 1HB LEU 28 1HB LEU 28 3.690 -2.315 -4.000
47 2HB LEU 28 2HB LEU 28 3.156 -3.961 -3.990
48 HG LEU 28 HG LEU 28 5.201 -4.620 -5.399
49 1HD1 LEU 28 1HD1 LEU 28 5.822 -1.711 -4.899
50 2HD1 LEU 28 2HD1 LEU 28 7.158 -2.846 -4.927
51 3HD1 LEU 28 3HD1 LEU 28 6.117 -2.692 -6.324
52 1HD2 LEU 28 1HD2 LEU 28 5.060 -5.027 -2.919
53 2HD2 LEU 28 2HD2 LEU 28 6.704 -4.767 -3.466
54 3HD2 LEU 28 3HD2 LEU 28 5.849 -3.476 -2.645
55 H ASN 29 H ASN 29 1.020 -3.797 -5.222
56 HA ASN 29 HA ASN 29 1.216 -6.548 -6.193
57 1HB ASN 29 1HB ASN 29 0.065 -5.850 -4.086
58 2HB ASN 29 2HB ASN 29 -1.179 -5.097 -5.074
59 1HD2 ASN 29 2HD2 ASN 29 -2.412 -6.378 -6.472
60 2HD2 ASN 29 1HD2 ASN 29 -2.579 -8.058 -6.207
61 H LEU 30 H LEU 30 -0.510 -3.568 -7.056
62 HA LEU 30 HA LEU 30 -1.941 -4.770 -9.246
63 1HB LEU 30 1HB LEU 30 -2.407 -2.580 -8.181
64 2HB LEU 30 2HB LEU 30 -0.919 -1.934 -8.806
65 HG LEU 30 HG LEU 30 -2.972 -3.108 -10.736
66 1HD1 LEU 30 1HD1 LEU 30 -3.143 -0.422 -9.304
67 2HD1 LEU 30 2HD1 LEU 30 -3.948 -0.710 -10.839
68 3HD1 LEU 30 3HD1 LEU 30 -4.381 -1.658 -9.432
69 1HD2 LEU 30 1HD2 LEU 30 -0.633 -1.217 -10.874
70 2HD2 LEU 30 2HD2 LEU 30 -1.168 -2.425 -12.026
71 3HD2 LEU 30 3HD2 LEU 30 -1.974 -0.873 -11.949
72 H LEU 31 H LEU 31 1.259 -3.637 -8.661
73 HA LEU 31 HA LEU 31 2.178 -3.596 -11.401
74 1HB LEU 31 1HB LEU 31 3.296 -2.900 -8.856
75 2HB LEU 31 2HB LEU 31 4.291 -4.195 -9.405
76 HG LEU 31 HG LEU 31 5.233 -2.056 -10.135
77 1HD1 LEU 31 1HD1 LEU 31 5.253 -4.119 -11.717
78 2HD1 LEU 31 2HD1 LEU 31 4.053 -3.263 -12.667
79 3HD1 LEU 31 3HD1 LEU 31 5.633 -2.558 -12.413
80 1HD2 LEU 31 1HD2 LEU 31 3.058 -0.784 -10.146
81 2HD2 LEU 31 2HD2 LEU 31 4.057 -0.490 -11.559
82 3HD2 LEU 31 3HD2 LEU 31 2.655 -1.526 -11.685
83 H THR 32 H THR 32 1.861 -6.051 -8.979
84 HA THR 32 HA THR 32 3.510 -7.905 -10.580
85 HB THR 32 HB THR 32 3.027 -7.855 -7.945
86 HG1 THR 32 HG1 THR 32 3.110 -10.443 -8.746
87 1HG2 THR 32 1HG2 THR 32 0.513 -8.474 -8.140
88 2HG2 THR 32 2HG2 THR 32 1.001 -9.981 -8.877
89 3HG2 THR 32 3HG2 THR 32 1.456 -9.602 -7.216
90 H ARG 33 H ARG 33 0.137 -7.129 -9.963
91 HA ARG 33 HA ARG 33 -1.020 -9.208 -11.549
92 1HB ARG 33 1HB ARG 33 -1.990 -6.444 -10.688
93 2HB ARG 33 2HB ARG 33 -2.992 -7.470 -11.679
94 1HG ARG 33 1HG ARG 33 -1.835 -8.689 -9.174
95 2HG ARG 33 2HG ARG 33 -3.099 -7.499 -8.950
96 1HD ARG 33 1HD ARG 33 -4.558 -8.804 -10.554
97 2HD ARG 33 2HD ARG 33 -3.314 -10.045 -10.670
98 HE ARG 33 HE ARG 33 -3.544 -10.167 -8.108
99 1HH1 ARG 33 1HH1 ARG 33 -6.210 -9.510 -10.251
100 2HH1 ARG 33 2HH1 ARG 33 -7.399 -10.115 -9.196
101 1HH2 ARG 33 1HH2 ARG 33 -5.102 -11.014 -6.713
102 2HH2 ARG 33 2HH2 ARG 33 -6.759 -11.032 -7.147
103 H GLN 34 H GLN 34 0.509 -6.206 -12.310
104 HA GLN 34 HA GLN 34 -0.423 -6.409 -15.148
105 1HB GLN 34 1HB GLN 34 -0.079 -4.157 -15.312
106 2HB GLN 34 2HB GLN 34 -0.569 -4.324 -13.642
107 1HG GLN 34 1HG GLN 34 1.273 -3.017 -13.223
108 2HG GLN 34 2HG GLN 34 2.164 -4.521 -13.324
109 1HE2 GLN 34 2HE2 GLN 34 0.791 -2.155 -15.657
110 2HE2 GLN 34 1HE2 GLN 34 2.192 -2.120 -16.615
111 H ARG 35 H ARG 35 2.532 -6.561 -13.254
112 HA ARG 35 HA ARG 35 4.058 -6.930 -15.783
113 1HB ARG 35 1HB ARG 35 4.683 -5.272 -13.797
114 2HB ARG 35 2HB ARG 35 5.307 -6.700 -13.016
115 1HG ARG 35 1HG ARG 35 7.214 -5.891 -14.126
116 2HG ARG 35 2HG ARG 35 6.622 -7.108 -15.234
117 1HD ARG 35 1HD ARG 35 5.376 -5.210 -16.488
118 2HD ARG 35 2HD ARG 35 6.202 -4.089 -15.430
119 HE ARG 35 HE ARG 35 7.685 -6.101 -17.101
120 1HH1 ARG 35 1HH1 ARG 35 7.262 -2.806 -16.144
121 2HH1 ARG 35 2HH1 ARG 35 8.646 -2.224 -16.963
122 1HH2 ARG 35 1HH2 ARG 35 9.483 -5.421 -18.180
123 2HH2 ARG 35 2HH2 ARG 35 9.952 -3.775 -18.172
124 H TYR 36 H TYR 36 3.296 -8.783 -12.794
125 HA TYR 36 HA TYR 36 4.987 -10.971 -13.783
126 1HB TYR 36 1HB TYR 36 3.417 -10.294 -11.265
127 2HB TYR 36 2HB TYR 36 3.944 -11.903 -11.584
128 HD1 TYR 36 HD1 TYR 36 5.300 -8.415 -11.691
129 HD2 TYR 36 HD2 TYR 36 6.087 -12.475 -10.707
130 HE1 TYR 36 HE1 TYR 36 7.496 -7.776 -10.845
131 HE2 TYR 36 HE2 TYR 36 8.284 -11.839 -9.858
132 HH TYR 36 HH TYR 36 9.677 -10.127 -9.380
133 1HN NH2 37 1HN NH2 37 3.215 -10.413 -15.607
134 2HN NH2 37 2HN NH2 37 1.887 -11.473 -15.628
Start of MODEL 2
1 1H ACE 23 1HA ACE 23 -2.994 -0.344 0.469
2 2H ACE 23 2HA ACE 23 -3.641 0.780 -0.727
3 3H ACE 23 3HA ACE 23 -2.570 1.370 0.540
4 H LEU 24 H LEU 24 -0.362 0.167 0.542
5 HA LEU 24 HA LEU 24 0.920 0.687 -1.899
6 1HB LEU 24 1HB LEU 24 1.999 0.645 0.409
7 2HB LEU 24 2HB LEU 24 1.805 -1.089 0.450
8 HG LEU 24 HG LEU 24 3.375 -1.255 -1.552
9 1HD1 LEU 24 1HD1 LEU 24 3.378 1.767 -1.191
10 2HD1 LEU 24 2HD1 LEU 24 4.732 0.940 -1.938
11 3HD1 LEU 24 3HD1 LEU 24 3.143 0.847 -2.666
12 1HD2 LEU 24 1HD2 LEU 24 4.190 -1.375 0.851
13 2HD2 LEU 24 2HD2 LEU 24 5.397 -0.745 -0.260
14 3HD2 LEU 24 3HD2 LEU 24 4.500 0.346 0.779
15 H ARG 25 H ARG 25 -0.876 -1.822 -1.105
16 HA ARG 25 HA ARG 25 0.463 -3.865 -2.779
17 1HB ARG 25 1HB ARG 25 -2.331 -3.692 -1.527
18 2HB ARG 25 2HB ARG 25 -1.959 -4.899 -2.731
19 1HG ARG 25 1HG ARG 25 -1.618 -5.858 -0.532
20 2HG ARG 25 2HG ARG 25 -0.102 -5.800 -1.398
21 1HD ARG 25 1HD ARG 25 -0.829 -3.436 0.325
22 2HD ARG 25 2HD ARG 25 -0.361 -4.919 1.127
23 HE ARG 25 HE ARG 25 1.290 -3.553 -0.968
24 1HH1 ARG 25 1HH1 ARG 25 1.121 -5.253 2.081
25 2HH1 ARG 25 2HH1 ARG 25 2.803 -5.227 2.330
26 1HH2 ARG 25 1HH2 ARG 25 3.518 -3.520 -0.646
27 2HH2 ARG 25 2HH2 ARG 25 4.191 -4.234 0.758
28 H HIS 26 H HIS 26 -2.062 -1.458 -3.003
29 HA HIS 26 HA HIS 26 -2.983 -1.981 -5.584
30 1HB HIS 26 1HB HIS 26 -3.772 -0.177 -3.836
31 2HB HIS 26 2HB HIS 26 -2.646 0.883 -4.682
32 HD1 HIS 26 HD1 HIS 26 -3.284 1.473 -7.134
33 HD2 HIS 26 HD2 HIS 26 -5.815 -1.269 -5.317
34 HE1 HIS 26 HE1 HIS 26 -5.288 1.141 -8.580
35 H TYR 27 H TYR 27 0.115 -1.012 -4.650
36 HA TYR 27 HA TYR 27 0.739 -0.288 -7.468
37 1HB TYR 27 1HB TYR 27 0.758 1.666 -5.970
38 2HB TYR 27 2HB TYR 27 1.926 0.833 -4.924
39 HD1 TYR 27 HD1 TYR 27 1.410 2.086 -8.388
40 HD2 TYR 27 HD2 TYR 27 4.259 0.946 -5.433
41 HE1 TYR 27 HE1 TYR 27 3.216 2.853 -9.839
42 HE2 TYR 27 HE2 TYR 27 6.073 1.719 -6.893
43 HH TYR 27 HH TYR 27 5.774 2.161 -10.054
44 H LEU 28 H LEU 28 1.727 -2.100 -4.708
45 HA LEU 28 HA LEU 28 4.261 -2.878 -5.991
46 1HB LEU 28 1HB LEU 28 3.546 -2.502 -3.419
47 2HB LEU 28 2HB LEU 28 3.101 -4.166 -3.547
48 HG LEU 28 HG LEU 28 5.528 -4.500 -4.607
49 1HD1 LEU 28 1HD1 LEU 28 5.931 -1.970 -4.675
50 2HD1 LEU 28 2HD1 LEU 28 6.000 -1.986 -2.923
51 3HD1 LEU 28 3HD1 LEU 28 7.189 -2.873 -3.860
52 1HD2 LEU 28 1HD2 LEU 28 4.683 -5.330 -2.313
53 2HD2 LEU 28 2HD2 LEU 28 6.409 -5.090 -2.473
54 3HD2 LEU 28 3HD2 LEU 28 5.451 -3.895 -1.632
55 H ASN 29 H ASN 29 1.118 -3.936 -5.097
56 HA ASN 29 HA ASN 29 1.537 -6.582 -6.297
57 1HB ASN 29 1HB ASN 29 0.401 -6.234 -4.174
58 2HB ASN 29 2HB ASN 29 -0.917 -5.442 -5.007
59 1HD2 ASN 29 2HD2 ASN 29 -2.108 -6.489 -6.528
60 2HD2 ASN 29 1HD2 ASN 29 -2.211 -8.187 -6.649
61 H LEU 30 H LEU 30 -0.535 -3.721 -6.876
62 HA LEU 30 HA LEU 30 -1.964 -4.856 -9.070
63 1HB LEU 30 1HB LEU 30 -2.429 -2.682 -7.981
64 2HB LEU 30 2HB LEU 30 -0.931 -2.067 -8.613
65 HG LEU 30 HG LEU 30 -3.004 -3.093 -10.585
66 1HD1 LEU 30 1HD1 LEU 30 -3.013 -0.359 -9.224
67 2HD1 LEU 30 2HD1 LEU 30 -3.984 -0.770 -10.630
68 3HD1 LEU 30 3HD1 LEU 30 -4.274 -1.566 -9.096
69 1HD2 LEU 30 1HD2 LEU 30 -0.545 -1.368 -10.647
70 2HD2 LEU 30 2HD2 LEU 30 -1.232 -2.381 -11.898
71 3HD2 LEU 30 3HD2 LEU 30 -1.874 -0.779 -11.623
72 H LEU 31 H LEU 31 1.122 -3.624 -8.666
73 HA LEU 31 HA LEU 31 1.906 -3.497 -11.475
74 1HB LEU 31 1HB LEU 31 2.845 -2.191 -9.471
75 2HB LEU 31 2HB LEU 31 3.714 -3.628 -8.987
76 HG LEU 31 HG LEU 31 5.019 -1.882 -10.264
77 1HD1 LEU 31 1HD1 LEU 31 5.608 -4.378 -10.216
78 2HD1 LEU 31 2HD1 LEU 31 4.938 -4.481 -11.833
79 3HD1 LEU 31 3HD1 LEU 31 6.311 -3.438 -11.514
80 1HD2 LEU 31 1HD2 LEU 31 3.017 -1.392 -11.850
81 2HD2 LEU 31 2HD2 LEU 31 4.622 -1.377 -12.536
82 3HD2 LEU 31 3HD2 LEU 31 3.583 -2.764 -12.792
83 H THR 32 H THR 32 2.260 -5.871 -8.880
84 HA THR 32 HA THR 32 3.843 -7.573 -10.650
85 HB THR 32 HB THR 32 3.532 -7.498 -7.940
86 HG1 THR 32 HG1 THR 32 4.153 -10.005 -8.763
87 1HG2 THR 32 1HG2 THR 32 1.201 -8.594 -8.114
88 2HG2 THR 32 2HG2 THR 32 1.977 -10.008 -8.811
89 3HG2 THR 32 3HG2 THR 32 2.356 -9.506 -7.163
90 H ARG 33 H ARG 33 0.388 -7.049 -10.045
91 HA ARG 33 HA ARG 33 -0.324 -9.502 -11.507
92 1HB ARG 33 1HB ARG 33 -2.146 -7.137 -10.926
93 2HB ARG 33 2HB ARG 33 -2.616 -8.792 -11.234
94 1HG ARG 33 1HG ARG 33 -0.954 -7.925 -8.843
95 2HG ARG 33 2HG ARG 33 -2.669 -8.056 -8.792
96 1HD ARG 33 1HD ARG 33 -2.389 -10.534 -9.321
97 2HD ARG 33 2HD ARG 33 -0.665 -10.286 -9.429
98 HE ARG 33 HE ARG 33 -0.585 -9.600 -7.078
99 1HH1 ARG 33 1HH1 ARG 33 -3.489 -11.200 -8.100
100 2HH1 ARG 33 2HH1 ARG 33 -3.940 -11.683 -6.525
101 1HH2 ARG 33 1HH2 ARG 33 -1.110 -10.192 -5.045
102 2HH2 ARG 33 2HH2 ARG 33 -2.531 -11.104 -4.737
103 H GLN 34 H GLN 34 0.204 -6.098 -12.266
104 HA GLN 34 HA GLN 34 -0.899 -6.560 -14.980
105 1HB GLN 34 1HB GLN 34 -0.759 -4.213 -15.256
106 2HB GLN 34 2HB GLN 34 -1.122 -4.382 -13.559
107 1HG GLN 34 1HG GLN 34 0.623 -2.939 -13.256
108 2HG GLN 34 2HG GLN 34 1.642 -4.348 -13.432
109 1HE2 GLN 34 2HE2 GLN 34 1.106 -4.570 -16.420
110 2HE2 GLN 34 1HE2 GLN 34 1.959 -3.260 -17.074
111 H ARG 35 H ARG 35 2.077 -6.551 -13.264
112 HA ARG 35 HA ARG 35 3.587 -6.688 -15.836
113 1HB ARG 35 1HB ARG 35 4.373 -5.130 -13.913
114 2HB ARG 35 2HB ARG 35 4.742 -6.577 -12.997
115 1HG ARG 35 1HG ARG 35 6.705 -6.906 -14.065
116 2HG ARG 35 2HG ARG 35 5.937 -6.847 -15.628
117 1HD ARG 35 1HD ARG 35 5.934 -4.267 -15.344
118 2HD ARG 35 2HD ARG 35 7.068 -4.491 -14.043
119 HE ARG 35 HE ARG 35 7.407 -5.285 -16.901
120 1HH1 ARG 35 1HH1 ARG 35 8.810 -4.811 -13.788
121 2HH1 ARG 35 2HH1 ARG 35 10.435 -4.892 -14.323
122 1HH2 ARG 35 1HH2 ARG 35 9.503 -5.427 -17.681
123 2HH2 ARG 35 2HH2 ARG 35 10.833 -5.270 -16.620
124 H TYR 36 H TYR 36 3.428 -8.588 -12.746
125 HA TYR 36 HA TYR 36 4.668 -10.815 -14.227
126 1HB TYR 36 1HB TYR 36 4.094 -10.047 -11.339
127 2HB TYR 36 2HB TYR 36 4.134 -11.731 -11.737
128 HD1 TYR 36 HD1 TYR 36 6.045 -8.572 -12.229
129 HD2 TYR 36 HD2 TYR 36 6.281 -12.790 -11.752
130 HE1 TYR 36 HE1 TYR 36 8.491 -8.425 -12.149
131 HE2 TYR 36 HE2 TYR 36 8.725 -12.646 -11.672
132 HH TYR 36 HH TYR 36 10.454 -11.018 -11.189
133 1HN NH2 37 1HN NH2 37 2.530 -10.158 -15.483
134 2HN NH2 37 2HN NH2 37 1.155 -11.064 -15.105
Start of MODEL 3
1 1H ACE 23 1HA ACE 23 -1.684 1.487 1.352
2 2H ACE 23 2HA ACE 23 -1.839 -0.273 1.437
3 3H ACE 23 3HA ACE 23 -2.981 0.672 0.482
4 H LEU 24 H LEU 24 0.548 0.042 0.690
5 HA LEU 24 HA LEU 24 1.034 0.877 -1.976
6 1HB LEU 24 1HB LEU 24 2.686 0.763 -0.008
7 2HB LEU 24 2HB LEU 24 2.677 -0.972 -0.190
8 HG LEU 24 HG LEU 24 3.492 -0.515 -2.661
9 1HD1 LEU 24 1HD1 LEU 24 4.075 2.217 -1.404
10 2HD1 LEU 24 2HD1 LEU 24 4.589 1.676 -2.991
11 3HD1 LEU 24 3HD1 LEU 24 2.892 1.935 -2.669
12 1HD2 LEU 24 1HD2 LEU 24 4.963 -1.361 -0.834
13 2HD2 LEU 24 2HD2 LEU 24 5.818 -0.263 -1.898
14 3HD2 LEU 24 3HD2 LEU 24 5.268 0.291 -0.327
15 H ARG 25 H ARG 25 -0.577 -1.655 -0.966
16 HA ARG 25 HA ARG 25 0.398 -3.670 -2.873
17 1HB ARG 25 1HB ARG 25 -1.889 -3.442 -0.913
18 2HB ARG 25 2HB ARG 25 -2.233 -4.402 -2.336
19 1HG ARG 25 1HG ARG 25 -1.236 -5.760 -0.452
20 2HG ARG 25 2HG ARG 25 -0.354 -5.866 -1.949
21 1HD ARG 25 1HD ARG 25 1.347 -5.530 -0.304
22 2HD ARG 25 2HD ARG 25 1.166 -3.934 -1.019
23 HE ARG 25 HE ARG 25 -0.647 -4.272 1.182
24 1HH1 ARG 25 1HH1 ARG 25 2.628 -3.669 0.348
25 2HH1 ARG 25 2HH1 ARG 25 3.023 -2.787 1.763
26 1HH2 ARG 25 1HH2 ARG 25 -0.237 -3.134 3.089
27 2HH2 ARG 25 2HH2 ARG 25 1.307 -2.469 3.374
28 H HIS 26 H HIS 26 -1.767 -1.004 -2.805
29 HA HIS 26 HA HIS 26 -3.182 -1.581 -5.186
30 1HB HIS 26 1HB HIS 26 -3.856 0.229 -3.701
31 2HB HIS 26 2HB HIS 26 -2.328 1.070 -3.949
32 HD1 HIS 26 HD1 HIS 26 -2.273 2.618 -5.935
33 HD2 HIS 26 HD2 HIS 26 -5.483 -0.014 -6.040
34 HE1 HIS 26 HE1 HIS 26 -3.775 3.248 -7.835
35 H TYR 27 H TYR 27 0.081 -0.827 -4.572
36 HA TYR 27 HA TYR 27 0.595 -0.440 -7.492
37 1HB TYR 27 1HB TYR 27 1.047 1.610 -6.316
38 2HB TYR 27 2HB TYR 27 1.988 0.748 -5.084
39 HD1 TYR 27 HD1 TYR 27 1.848 1.301 -8.766
40 HD2 TYR 27 HD2 TYR 27 4.363 0.584 -5.409
41 HE1 TYR 27 HE1 TYR 27 3.820 1.481 -10.211
42 HE2 TYR 27 HE2 TYR 27 6.339 0.765 -6.862
43 HH TYR 27 HH TYR 27 6.882 1.905 -9.161
44 H LEU 28 H LEU 28 1.314 -2.405 -4.750
45 HA LEU 28 HA LEU 28 3.781 -3.444 -5.984
46 1HB LEU 28 1HB LEU 28 3.043 -3.128 -3.415
47 2HB LEU 28 2HB LEU 28 2.365 -4.694 -3.661
48 HG LEU 28 HG LEU 28 4.729 -5.341 -4.711
49 1HD1 LEU 28 1HD1 LEU 28 5.423 -2.868 -3.047
50 2HD1 LEU 28 2HD1 LEU 28 6.603 -4.042 -3.603
51 3HD1 LEU 28 3HD1 LEU 28 5.697 -3.099 -4.766
52 1HD2 LEU 28 1HD2 LEU 28 3.757 -6.217 -2.526
53 2HD2 LEU 28 2HD2 LEU 28 5.504 -6.137 -2.563
54 3HD2 LEU 28 3HD2 LEU 28 4.597 -4.915 -1.691
55 H ASN 29 H ASN 29 0.508 -4.131 -5.251
56 HA ASN 29 HA ASN 29 0.615 -6.759 -6.534
57 1HB ASN 29 1HB ASN 29 -0.619 -6.241 -4.450
58 2HB ASN 29 2HB ASN 29 -1.748 -5.286 -5.393
59 1HD2 ASN 29 2HD2 ASN 29 -2.930 -6.384 -7.102
60 2HD2 ASN 29 1HD2 ASN 29 -3.195 -8.065 -7.000
61 H LEU 30 H LEU 30 -0.868 -3.565 -7.155
62 HA LEU 30 HA LEU 30 -2.298 -4.435 -9.499
63 1HB LEU 30 1HB LEU 30 -2.633 -2.313 -8.235
64 2HB LEU 30 2HB LEU 30 -1.072 -1.786 -8.790
65 HG LEU 30 HG LEU 30 -3.108 -2.519 -10.917
66 1HD1 LEU 30 1HD1 LEU 30 -3.144 0.011 -9.205
67 2HD1 LEU 30 2HD1 LEU 30 -3.948 -0.098 -10.760
68 3HD1 LEU 30 3HD1 LEU 30 -4.465 -1.120 -9.439
69 1HD2 LEU 30 1HD2 LEU 30 -0.710 -0.676 -10.636
70 2HD2 LEU 30 2HD2 LEU 30 -1.090 -1.801 -11.927
71 3HD2 LEU 30 3HD2 LEU 30 -1.934 -0.275 -11.822
72 H LEU 31 H LEU 31 0.923 -3.705 -8.773
73 HA LEU 31 HA LEU 31 1.728 -3.588 -11.619
74 1HB LEU 31 1HB LEU 31 2.674 -2.046 -9.736
75 2HB LEU 31 2HB LEU 31 3.450 -3.455 -9.073
76 HG LEU 31 HG LEU 31 4.851 -1.858 -10.526
77 1HD1 LEU 31 1HD1 LEU 31 5.514 -4.183 -9.815
78 2HD1 LEU 31 2HD1 LEU 31 4.905 -4.795 -11.338
79 3HD1 LEU 31 3HD1 LEU 31 6.242 -3.667 -11.318
80 1HD2 LEU 31 1HD2 LEU 31 3.117 -1.698 -12.376
81 2HD2 LEU 31 2HD2 LEU 31 4.736 -2.065 -12.928
82 3HD2 LEU 31 3HD2 LEU 31 3.526 -3.335 -12.838
83 H THR 32 H THR 32 2.198 -5.859 -8.843
84 HA THR 32 HA THR 32 3.834 -7.460 -10.650
85 HB THR 32 HB THR 32 3.620 -7.425 -7.976
86 HG1 THR 32 HG1 THR 32 5.095 -8.869 -8.344
87 1HG2 THR 32 1HG2 THR 32 1.240 -8.679 -8.206
88 2HG2 THR 32 2HG2 THR 32 2.233 -10.067 -8.635
89 3HG2 THR 32 3HG2 THR 32 2.412 -9.303 -7.064
90 H ARG 33 H ARG 33 0.369 -7.111 -10.054
91 HA ARG 33 HA ARG 33 -0.179 -9.645 -11.413
92 1HB ARG 33 1HB ARG 33 -2.396 -9.259 -10.825
93 2HB ARG 33 2HB ARG 33 -1.539 -8.428 -9.550
94 1HG ARG 33 1HG ARG 33 -2.929 -6.717 -10.006
95 2HG ARG 33 2HG ARG 33 -1.790 -6.341 -11.277
96 1HD ARG 33 1HD ARG 33 -3.205 -7.222 -12.986
97 2HD ARG 33 2HD ARG 33 -4.023 -8.305 -11.869
98 HE ARG 33 HE ARG 33 -4.236 -5.361 -11.608
99 1HH1 ARG 33 1HH1 ARG 33 -5.846 -8.414 -12.092
100 2HH1 ARG 33 2HH1 ARG 33 -7.426 -7.803 -11.860
101 1HH2 ARG 33 1HH2 ARG 33 -6.269 -4.518 -11.340
102 2HH2 ARG 33 2HH2 ARG 33 -7.684 -5.489 -11.411
103 H GLN 34 H GLN 34 0.644 -6.519 -12.447
104 HA GLN 34 HA GLN 34 -0.574 -7.050 -15.120
105 1HB GLN 34 1HB GLN 34 -0.904 -4.755 -15.302
106 2HB GLN 34 2HB GLN 34 -1.059 -4.955 -13.575
107 1HG GLN 34 1HG GLN 34 0.428 -3.259 -13.451
108 2HG GLN 34 2HG GLN 34 1.651 -4.476 -13.704
109 1HE2 GLN 34 2HE2 GLN 34 0.932 -4.890 -16.608
110 2HE2 GLN 34 1HE2 GLN 34 1.459 -3.469 -17.375
111 H ARG 35 H ARG 35 2.280 -6.679 -13.291
112 HA ARG 35 HA ARG 35 3.987 -6.503 -15.715
113 1HB ARG 35 1HB ARG 35 4.274 -5.125 -13.435
114 2HB ARG 35 2HB ARG 35 5.040 -6.585 -12.859
115 1HG ARG 35 1HG ARG 35 6.889 -5.483 -13.687
116 2HG ARG 35 2HG ARG 35 6.418 -6.363 -15.122
117 1HD ARG 35 1HD ARG 35 5.104 -4.352 -15.894
118 2HD ARG 35 2HD ARG 35 5.623 -3.472 -14.475
119 HE ARG 35 HE ARG 35 7.452 -4.632 -16.544
120 1HH1 ARG 35 1HH1 ARG 35 6.768 -2.114 -14.265
121 2HH1 ARG 35 2HH1 ARG 35 8.190 -1.230 -14.592
122 1HH2 ARG 35 1HH2 ARG 35 9.301 -3.510 -17.025
123 2HH2 ARG 35 2HH2 ARG 35 9.683 -2.052 -16.232
124 H TYR 36 H TYR 36 3.620 -8.653 -12.772
125 HA TYR 36 HA TYR 36 5.286 -10.616 -14.208
126 1HB TYR 36 1HB TYR 36 4.222 -10.161 -11.392
127 2HB TYR 36 2HB TYR 36 4.526 -11.794 -11.897
128 HD1 TYR 36 HD1 TYR 36 6.901 -12.437 -12.591
129 HD2 TYR 36 HD2 TYR 36 5.971 -8.572 -11.085
130 HE1 TYR 36 HE1 TYR 36 9.284 -11.997 -12.246
131 HE2 TYR 36 HE2 TYR 36 8.355 -8.126 -10.744
132 HH TYR 36 HH TYR 36 10.711 -10.503 -10.837
133 1HN NH2 37 1HN NH2 37 3.181 -9.938 -15.639
134 2HN NH2 37 2HN NH2 37 1.931 -11.088 -15.579
Start of MODEL 4
1 1H ACE 23 1HA ACE 23 -2.764 1.526 -0.054
2 2H ACE 23 2HA ACE 23 -1.577 1.278 1.223
3 3H ACE 23 3HA ACE 23 -2.544 -0.082 0.634
4 H LEU 24 H LEU 24 0.453 0.394 0.651
5 HA LEU 24 HA LEU 24 1.397 0.882 -1.912
6 1HB LEU 24 1HB LEU 24 2.853 0.687 0.104
7 2HB LEU 24 2HB LEU 24 2.419 -0.997 0.286
8 HG LEU 24 HG LEU 24 3.630 -1.548 -1.827
9 1HD1 LEU 24 1HD1 LEU 24 3.903 1.466 -1.975
10 2HD1 LEU 24 2HD1 LEU 24 5.090 0.432 -2.744
11 3HD1 LEU 24 3HD1 LEU 24 3.410 0.343 -3.227
12 1HD2 LEU 24 1HD2 LEU 24 4.810 -1.271 0.503
13 2HD2 LEU 24 2HD2 LEU 24 5.845 -1.265 -0.920
14 3HD2 LEU 24 3HD2 LEU 24 5.410 0.242 -0.138
15 H ARG 25 H ARG 25 -0.287 -1.625 -0.855
16 HA ARG 25 HA ARG 25 0.519 -3.672 -2.777
17 1HB ARG 25 1HB ARG 25 -2.008 -3.293 -1.069
18 2HB ARG 25 2HB ARG 25 -1.894 -4.548 -2.277
19 1HG ARG 25 1HG ARG 25 -1.274 -5.518 -0.187
20 2HG ARG 25 2HG ARG 25 0.146 -5.476 -1.201
21 1HD ARG 25 1HD ARG 25 -0.373 -3.095 0.579
22 2HD ARG 25 2HD ARG 25 0.116 -4.608 1.327
23 HE ARG 25 HE ARG 25 1.631 -3.408 -0.946
24 1HH1 ARG 25 1HH1 ARG 25 1.619 -4.643 2.315
25 2HH1 ARG 25 2HH1 ARG 25 3.311 -4.616 2.482
26 1HH2 ARG 25 1HH2 ARG 25 3.903 -3.387 -0.737
27 2HH2 ARG 25 2HH2 ARG 25 4.637 -3.874 0.736
28 H HIS 26 H HIS 26 -1.891 -1.131 -2.551
29 HA HIS 26 HA HIS 26 -3.298 -1.544 -4.843
30 1HB HIS 26 1HB HIS 26 -3.555 0.435 -3.195
31 2HB HIS 26 2HB HIS 26 -2.284 1.242 -4.106
32 HD1 HIS 26 HD1 HIS 26 -2.970 2.200 -6.360
33 HD2 HIS 26 HD2 HIS 26 -5.881 -0.214 -4.647
34 HE1 HIS 26 HE1 HIS 26 -5.072 2.390 -7.696
35 H TYR 27 H TYR 27 -0.019 -0.581 -4.535
36 HA TYR 27 HA TYR 27 0.230 -0.329 -7.487
37 1HB TYR 27 1HB TYR 27 0.657 1.748 -6.164
38 2HB TYR 27 2HB TYR 27 1.806 0.899 -5.163
39 HD1 TYR 27 HD1 TYR 27 1.222 2.268 -8.538
40 HD2 TYR 27 HD2 TYR 27 4.099 0.654 -5.845
41 HE1 TYR 27 HE1 TYR 27 3.027 3.022 -10.014
42 HE2 TYR 27 HE2 TYR 27 5.900 1.413 -7.330
43 HH TYR 27 HH TYR 27 5.766 2.001 -10.228
44 H LEU 28 H LEU 28 1.369 -2.160 -4.817
45 HA LEU 28 HA LEU 28 3.597 -3.268 -6.382
46 1HB LEU 28 1HB LEU 28 3.285 -2.637 -3.765
47 2HB LEU 28 2HB LEU 28 2.708 -4.266 -3.691
48 HG LEU 28 HG LEU 28 5.169 -4.006 -3.146
49 1HD1 LEU 28 1HD1 LEU 28 4.233 -6.146 -4.074
50 2HD1 LEU 28 2HD1 LEU 28 4.703 -5.618 -5.679
51 3HD1 LEU 28 3HD1 LEU 28 5.926 -5.904 -4.453
52 1HD2 LEU 28 1HD2 LEU 28 5.342 -2.142 -5.050
53 2HD2 LEU 28 2HD2 LEU 28 6.727 -3.107 -4.599
54 3HD2 LEU 28 3HD2 LEU 28 5.820 -3.510 -6.049
55 H ASN 29 H ASN 29 0.602 -3.938 -5.038
56 HA ASN 29 HA ASN 29 0.402 -6.729 -5.874
57 1HB ASN 29 1HB ASN 29 -0.521 -5.803 -3.787
58 2HB ASN 29 2HB ASN 29 -1.712 -4.936 -4.745
59 1HD2 ASN 29 2HD2 ASN 29 -3.134 -6.127 -6.065
60 2HD2 ASN 29 1HD2 ASN 29 -3.581 -7.715 -5.634
61 H LEU 30 H LEU 30 -0.517 -3.628 -7.064
62 HA LEU 30 HA LEU 30 -2.282 -4.789 -9.134
63 1HB LEU 30 1HB LEU 30 -2.638 -2.655 -7.868
64 2HB LEU 30 2HB LEU 30 -1.253 -1.997 -8.663
65 HG LEU 30 HG LEU 30 -3.430 -3.102 -10.457
66 1HD1 LEU 30 1HD1 LEU 30 -3.500 -0.491 -8.887
67 2HD1 LEU 30 2HD1 LEU 30 -4.405 -0.699 -10.374
68 3HD1 LEU 30 3HD1 LEU 30 -4.756 -1.710 -8.989
69 1HD2 LEU 30 1HD2 LEU 30 -1.113 -1.174 -10.646
70 2HD2 LEU 30 2HD2 LEU 30 -1.705 -2.323 -11.828
71 3HD2 LEU 30 3HD2 LEU 30 -2.522 -0.795 -11.613
72 H LEU 31 H LEU 31 0.966 -4.045 -8.506
73 HA LEU 31 HA LEU 31 1.713 -3.774 -11.362
74 1HB LEU 31 1HB LEU 31 2.904 -2.349 -9.835
75 2HB LEU 31 2HB LEU 31 3.253 -3.661 -8.747
76 HG LEU 31 HG LEU 31 4.427 -4.477 -11.246
77 1HD1 LEU 31 1HD1 LEU 31 4.040 -2.199 -12.085
78 2HD1 LEU 31 2HD1 LEU 31 4.962 -1.536 -10.743
79 3HD1 LEU 31 3HD1 LEU 31 5.744 -2.571 -11.929
80 1HD2 LEU 31 1HD2 LEU 31 5.238 -4.699 -8.818
81 2HD2 LEU 31 2HD2 LEU 31 6.457 -4.372 -10.032
82 3HD2 LEU 31 3HD2 LEU 31 5.886 -3.074 -8.987
83 H THR 32 H THR 32 2.346 -6.160 -8.732
84 HA THR 32 HA THR 32 3.859 -7.802 -10.553
85 HB THR 32 HB THR 32 3.741 -8.047 -8.097
86 HG1 THR 32 HG1 THR 32 3.040 -10.577 -8.957
87 1HG2 THR 32 1HG2 THR 32 1.195 -8.028 -7.828
88 2HG2 THR 32 2HG2 THR 32 1.120 -9.589 -8.623
89 3HG2 THR 32 3HG2 THR 32 1.935 -9.421 -7.074
90 H ARG 33 H ARG 33 0.524 -7.199 -10.167
91 HA ARG 33 HA ARG 33 -0.358 -9.483 -11.782
92 1HB ARG 33 1HB ARG 33 -1.766 -7.031 -10.701
93 2HB ARG 33 2HB ARG 33 -2.586 -8.304 -11.594
94 1HG ARG 33 1HG ARG 33 -1.487 -9.955 -9.871
95 2HG ARG 33 2HG ARG 33 -1.108 -8.557 -8.916
96 1HD ARG 33 1HD ARG 33 -3.845 -9.552 -9.696
97 2HD ARG 33 2HD ARG 33 -3.204 -9.387 -8.053
98 HE ARG 33 HE ARG 33 -2.894 -6.932 -8.709
99 1HH1 ARG 33 1HH1 ARG 33 -5.546 -8.919 -9.695
100 2HH1 ARG 33 2HH1 ARG 33 -6.664 -7.654 -9.939
101 1HH2 ARG 33 1HH2 ARG 33 -4.331 -5.174 -8.992
102 2HH2 ARG 33 2HH2 ARG 33 -5.954 -5.439 -9.468
103 H GLN 34 H GLN 34 0.763 -6.346 -12.533
104 HA GLN 34 HA GLN 34 -0.432 -6.504 -15.274
105 1HB GLN 34 1HB GLN 34 -0.267 -4.171 -15.326
106 2HB GLN 34 2HB GLN 34 -0.762 -4.534 -13.679
107 1HG GLN 34 1HG GLN 34 0.915 -3.027 -13.167
108 2HG GLN 34 2HG GLN 34 1.889 -4.484 -13.241
109 1HE2 GLN 34 2HE2 GLN 34 0.593 -2.198 -15.669
110 2HE2 GLN 34 1HE2 GLN 34 2.074 -2.071 -16.486
111 H ARG 35 H ARG 35 2.413 -6.606 -13.427
112 HA ARG 35 HA ARG 35 4.143 -6.582 -15.827
113 1HB ARG 35 1HB ARG 35 4.510 -5.200 -13.580
114 2HB ARG 35 2HB ARG 35 5.171 -6.697 -12.968
115 1HG ARG 35 1HG ARG 35 7.131 -5.861 -13.857
116 2HG ARG 35 2HG ARG 35 6.527 -6.596 -15.325
117 1HD ARG 35 1HD ARG 35 5.403 -4.376 -15.880
118 2HD ARG 35 2HD ARG 35 6.196 -3.645 -14.527
119 HE ARG 35 HE ARG 35 7.512 -4.837 -16.947
120 1HH1 ARG 35 1HH1 ARG 35 7.773 -2.934 -14.083
121 2HH1 ARG 35 2HH1 ARG 35 9.299 -2.255 -14.459
122 1HH2 ARG 35 1HH2 ARG 35 9.514 -4.059 -17.487
123 2HH2 ARG 35 2HH2 ARG 35 10.345 -2.955 -16.476
124 H TYR 36 H TYR 36 3.597 -8.859 -12.984
125 HA TYR 36 HA TYR 36 5.370 -10.734 -14.377
126 1HB TYR 36 1HB TYR 36 4.000 -10.499 -11.684
127 2HB TYR 36 2HB TYR 36 4.310 -12.093 -12.286
128 HD1 TYR 36 HD1 TYR 36 5.842 -8.826 -11.548
129 HD2 TYR 36 HD2 TYR 36 6.622 -12.933 -12.326
130 HE1 TYR 36 HE1 TYR 36 8.171 -8.484 -10.929
131 HE2 TYR 36 HE2 TYR 36 8.972 -12.591 -11.700
132 HH TYR 36 HH TYR 36 10.029 -9.933 -10.048
133 1HN NH2 37 1HN NH2 37 3.383 -10.001 -16.009
134 2HN NH2 37 2HN NH2 37 2.240 -11.238 -16.208
Start of MODEL 5
1 1H ACE 23 1HA ACE 23 -2.513 -1.079 1.101
2 2H ACE 23 2HA ACE 23 -3.395 0.332 0.519
3 3H ACE 23 3HA ACE 23 -1.995 0.547 1.565
4 H LEU 24 H LEU 24 0.109 0.172 0.659
5 HA LEU 24 HA LEU 24 0.485 1.055 -1.970
6 1HB LEU 24 1HB LEU 24 2.120 1.147 0.001
7 2HB LEU 24 2HB LEU 24 2.361 -0.571 -0.196
8 HG LEU 24 HG LEU 24 3.079 0.102 -2.698
9 1HD1 LEU 24 1HD1 LEU 24 3.470 2.743 -1.205
10 2HD1 LEU 24 2HD1 LEU 24 4.012 2.381 -2.832
11 3HD1 LEU 24 3HD1 LEU 24 2.302 2.485 -2.488
12 1HD2 LEU 24 1HD2 LEU 24 4.802 0.801 -0.298
13 2HD2 LEU 24 2HD2 LEU 24 4.615 -0.808 -0.977
14 3HD2 LEU 24 3HD2 LEU 24 5.380 0.460 -1.920
15 H ARG 25 H ARG 25 -0.546 -1.783 -1.006
16 HA ARG 25 HA ARG 25 0.690 -3.610 -2.878
17 1HB ARG 25 1HB ARG 25 -2.204 -3.761 -1.848
18 2HB ARG 25 2HB ARG 25 -1.249 -5.120 -2.372
19 1HG ARG 25 1HG ARG 25 -0.991 -3.522 0.194
20 2HG ARG 25 2HG ARG 25 -1.216 -5.239 -0.006
21 1HD ARG 25 1HD ARG 25 1.331 -3.684 -0.620
22 2HD ARG 25 2HD ARG 25 1.139 -4.816 0.675
23 HE ARG 25 HE ARG 25 1.253 -5.448 -2.252
24 1HH1 ARG 25 1HH1 ARG 25 1.155 -6.588 1.010
25 2HH1 ARG 25 2HH1 ARG 25 1.661 -8.168 0.622
26 1HH2 ARG 25 1HH2 ARG 25 1.874 -7.527 -2.814
27 2HH2 ARG 25 2HH2 ARG 25 2.086 -8.708 -1.600
28 H HIS 26 H HIS 26 -2.039 -1.470 -2.793
29 HA HIS 26 HA HIS 26 -3.252 -1.922 -5.193
30 1HB HIS 26 1HB HIS 26 -3.753 -0.095 -3.406
31 2HB HIS 26 2HB HIS 26 -2.679 0.932 -4.354
32 HD1 HIS 26 HD1 HIS 26 -3.541 1.638 -6.671
33 HD2 HIS 26 HD2 HIS 26 -6.002 -1.044 -4.682
34 HE1 HIS 26 HE1 HIS 26 -5.714 1.481 -7.888
35 H TYR 27 H TYR 27 -0.107 -0.751 -4.676
36 HA TYR 27 HA TYR 27 0.239 -0.147 -7.550
37 1HB TYR 27 1HB TYR 27 0.434 1.832 -6.083
38 2HB TYR 27 2HB TYR 27 1.601 0.986 -5.080
39 HD1 TYR 27 HD1 TYR 27 1.067 2.417 -8.464
40 HD2 TYR 27 HD2 TYR 27 3.927 0.992 -5.649
41 HE1 TYR 27 HE1 TYR 27 2.888 3.288 -9.862
42 HE2 TYR 27 HE2 TYR 27 5.737 1.865 -7.053
43 HH TYR 27 HH TYR 27 5.666 2.409 -9.944
44 H LEU 28 H LEU 28 1.667 -1.920 -4.911
45 HA LEU 28 HA LEU 28 3.942 -2.696 -6.606
46 1HB LEU 28 1HB LEU 28 3.717 -2.242 -3.972
47 2HB LEU 28 2HB LEU 28 3.285 -3.908 -3.951
48 HG LEU 28 HG LEU 28 5.433 -4.298 -5.479
49 1HD1 LEU 28 1HD1 LEU 28 5.868 -1.833 -5.776
50 2HD1 LEU 28 2HD1 LEU 28 6.162 -1.697 -4.054
51 3HD1 LEU 28 3HD1 LEU 28 7.233 -2.658 -5.055
52 1HD2 LEU 28 1HD2 LEU 28 5.622 -3.681 -2.490
53 2HD2 LEU 28 2HD2 LEU 28 5.257 -5.240 -3.218
54 3HD2 LEU 28 3HD2 LEU 28 6.851 -4.538 -3.402
55 H ASN 29 H ASN 29 1.066 -3.762 -5.188
56 HA ASN 29 HA ASN 29 1.362 -6.530 -6.070
57 1HB ASN 29 1HB ASN 29 0.095 -5.769 -4.014
58 2HB ASN 29 2HB ASN 29 -1.122 -5.131 -5.106
59 1HD2 ASN 29 2HD2 ASN 29 -2.239 -6.580 -6.475
60 2HD2 ASN 29 1HD2 ASN 29 -2.299 -8.238 -6.138
61 H LEU 30 H LEU 30 -0.445 -3.649 -7.013
62 HA LEU 30 HA LEU 30 -1.818 -4.871 -9.223
63 1HB LEU 30 1HB LEU 30 -2.330 -2.681 -8.197
64 2HB LEU 30 2HB LEU 30 -0.820 -2.046 -8.771
65 HG LEU 30 HG LEU 30 -2.554 -3.244 -10.926
66 1HD1 LEU 30 1HD1 LEU 30 -3.427 -0.832 -9.281
67 2HD1 LEU 30 2HD1 LEU 30 -3.936 -1.047 -10.948
68 3HD1 LEU 30 3HD1 LEU 30 -4.372 -2.240 -9.741
69 1HD2 LEU 30 1HD2 LEU 30 -1.095 -0.573 -10.651
70 2HD2 LEU 30 2HD2 LEU 30 -0.437 -2.007 -11.417
71 3HD2 LEU 30 3HD2 LEU 30 -1.815 -1.191 -12.129
72 H LEU 31 H LEU 31 1.364 -3.707 -8.621
73 HA LEU 31 HA LEU 31 2.305 -3.660 -11.361
74 1HB LEU 31 1HB LEU 31 3.406 -2.956 -8.801
75 2HB LEU 31 2HB LEU 31 4.357 -4.312 -9.297
76 HG LEU 31 HG LEU 31 5.405 -2.220 -10.037
77 1HD1 LEU 31 1HD1 LEU 31 5.362 -4.371 -11.534
78 2HD1 LEU 31 2HD1 LEU 31 4.289 -3.441 -12.573
79 3HD1 LEU 31 3HD1 LEU 31 5.910 -2.863 -12.240
80 1HD2 LEU 31 1HD2 LEU 31 3.367 -0.819 -10.219
81 2HD2 LEU 31 2HD2 LEU 31 4.334 -0.741 -11.680
82 3HD2 LEU 31 3HD2 LEU 31 2.865 -1.682 -11.660
83 H THR 32 H THR 32 2.351 -6.043 -8.747
84 HA THR 32 HA THR 32 3.701 -7.963 -10.491
85 HB THR 32 HB THR 32 3.381 -7.947 -7.870
86 HG1 THR 32 HG1 THR 32 3.366 -10.531 -8.492
87 1HG2 THR 32 1HG2 THR 32 0.759 -8.547 -8.172
88 2HG2 THR 32 2HG2 THR 32 1.347 -10.150 -8.512
89 3HG2 THR 32 3HG2 THR 32 1.680 -9.395 -6.958
90 H ARG 33 H ARG 33 0.416 -6.950 -10.052
91 HA ARG 33 HA ARG 33 -0.715 -9.217 -11.478
92 1HB ARG 33 1HB ARG 33 -1.909 -6.458 -10.885
93 2HB ARG 33 2HB ARG 33 -2.831 -7.797 -11.501
94 1HG ARG 33 1HG ARG 33 -1.414 -8.617 -9.046
95 2HG ARG 33 2HG ARG 33 -2.289 -7.140 -8.761
96 1HD ARG 33 1HD ARG 33 -3.807 -8.930 -8.257
97 2HD ARG 33 2HD ARG 33 -4.388 -8.229 -9.776
98 HE ARG 33 HE ARG 33 -2.740 -9.997 -10.783
99 1HH1 ARG 33 1HH1 ARG 33 -4.860 -10.529 -8.055
100 2HH1 ARG 33 2HH1 ARG 33 -4.929 -12.220 -8.271
101 1HH2 ARG 33 1HH2 ARG 33 -2.828 -12.173 -11.104
102 2HH2 ARG 33 2HH2 ARG 33 -3.757 -13.179 -10.080
103 H GLN 34 H GLN 34 0.401 -6.023 -12.391
104 HA GLN 34 HA GLN 34 -0.548 -6.491 -15.161
105 1HB GLN 34 1HB GLN 34 -0.111 -4.139 -15.473
106 2HB GLN 34 2HB GLN 34 -0.950 -4.343 -13.940
107 1HG GLN 34 1HG GLN 34 0.693 -3.080 -13.016
108 2HG GLN 34 2HG GLN 34 1.704 -4.504 -13.129
109 1HE2 GLN 34 2HE2 GLN 34 1.971 -4.406 -16.110
110 2HE2 GLN 34 1HE2 GLN 34 2.945 -3.040 -16.384
111 H ARG 35 H ARG 35 2.275 -6.678 -13.244
112 HA ARG 35 HA ARG 35 3.998 -6.753 -15.674
113 1HB ARG 35 1HB ARG 35 4.468 -5.446 -13.367
114 2HB ARG 35 2HB ARG 35 5.048 -6.998 -12.834
115 1HG ARG 35 1HG ARG 35 7.033 -6.049 -13.693
116 2HG ARG 35 2HG ARG 35 6.462 -6.891 -15.118
117 1HD ARG 35 1HD ARG 35 5.483 -4.826 -16.035
118 2HD ARG 35 2HD ARG 35 5.699 -3.992 -14.526
119 HE ARG 35 HE ARG 35 8.104 -3.985 -14.818
120 1HH1 ARG 35 1HH1 ARG 35 6.292 -4.907 -17.623
121 2HH1 ARG 35 2HH1 ARG 35 7.514 -4.461 -18.740
122 1HH2 ARG 35 1HH2 ARG 35 9.766 -3.446 -16.248
123 2HH2 ARG 35 2HH2 ARG 35 9.527 -3.634 -17.924
124 H TYR 36 H TYR 36 3.288 -8.886 -12.750
125 HA TYR 36 HA TYR 36 4.670 -11.023 -14.236
126 1HB TYR 36 1HB TYR 36 3.587 -10.544 -11.432
127 2HB TYR 36 2HB TYR 36 3.692 -12.170 -12.014
128 HD1 TYR 36 HD1 TYR 36 5.567 -9.100 -11.290
129 HD2 TYR 36 HD2 TYR 36 5.909 -13.201 -12.370
130 HE1 TYR 36 HE1 TYR 36 7.946 -8.998 -10.843
131 HE2 TYR 36 HE2 TYR 36 8.310 -13.113 -11.920
132 HH TYR 36 HH TYR 36 9.873 -10.200 -10.691
133 1HN NH2 37 1HN NH2 37 2.775 -10.118 -15.767
134 2HN NH2 37 2HN NH2 37 1.351 -11.043 -15.735
Start of MODEL 6
1 1H ACE 23 1HA ACE 23 -2.238 -0.123 1.257
2 2H ACE 23 2HA ACE 23 -3.431 0.501 0.115
3 3H ACE 23 3HA ACE 23 -2.337 1.615 0.932
4 H LEU 24 H LEU 24 0.105 0.378 0.621
5 HA LEU 24 HA LEU 24 0.745 1.010 -2.068
6 1HB LEU 24 1HB LEU 24 2.242 1.161 0.014
7 2HB LEU 24 2HB LEU 24 2.346 -0.579 -0.003
8 HG LEU 24 HG LEU 24 3.303 -0.225 -2.480
9 1HD1 LEU 24 1HD1 LEU 24 2.707 2.243 -2.522
10 2HD1 LEU 24 2HD1 LEU 24 3.874 2.514 -1.239
11 3HD1 LEU 24 3HD1 LEU 24 4.403 1.932 -2.805
12 1HD2 LEU 24 1HD2 LEU 24 4.883 0.591 -0.008
13 2HD2 LEU 24 2HD2 LEU 24 4.613 -1.061 -0.537
14 3HD2 LEU 24 3HD2 LEU 24 5.565 0.031 -1.526
15 H ARG 25 H ARG 25 -0.622 -1.620 -0.903
16 HA ARG 25 HA ARG 25 0.602 -3.645 -2.622
17 1HB ARG 25 1HB ARG 25 -1.697 -3.592 -0.692
18 2HB ARG 25 2HB ARG 25 -2.086 -4.527 -2.106
19 1HG ARG 25 1HG ARG 25 -1.077 -6.045 -0.612
20 2HG ARG 25 2HG ARG 25 0.050 -5.777 -1.913
21 1HD ARG 25 1HD ARG 25 1.591 -5.092 -0.459
22 2HD ARG 25 2HD ARG 25 0.616 -3.708 0.020
23 HE ARG 25 HE ARG 25 -0.650 -5.417 1.478
24 1HH1 ARG 25 1HH1 ARG 25 2.752 -5.471 0.825
25 2HH1 ARG 25 2HH1 ARG 25 3.189 -6.291 2.253
26 1HH2 ARG 25 1HH2 ARG 25 -0.137 -6.493 3.411
27 2HH2 ARG 25 2HH2 ARG 25 1.485 -6.883 3.785
28 H HIS 26 H HIS 26 -1.942 -1.276 -2.772
29 HA HIS 26 HA HIS 26 -3.039 -2.189 -5.214
30 1HB HIS 26 1HB HIS 26 -3.857 -0.295 -3.517
31 2HB HIS 26 2HB HIS 26 -2.974 0.764 -4.612
32 HD1 HIS 26 HD1 HIS 26 -4.019 1.076 -6.936
33 HD2 HIS 26 HD2 HIS 26 -5.879 -1.821 -4.620
34 HE1 HIS 26 HE1 HIS 26 -6.139 0.363 -8.069
35 H TYR 27 H TYR 27 -0.011 -1.032 -4.561
36 HA TYR 27 HA TYR 27 0.461 -0.247 -7.368
37 1HB TYR 27 1HB TYR 27 0.525 1.567 -5.546
38 2HB TYR 27 2HB TYR 27 1.948 0.734 -4.925
39 HD1 TYR 27 HD1 TYR 27 0.568 2.510 -7.875
40 HD2 TYR 27 HD2 TYR 27 4.082 0.979 -6.017
41 HE1 TYR 27 HE1 TYR 27 1.944 3.659 -9.520
42 HE2 TYR 27 HE2 TYR 27 5.454 2.125 -7.660
43 HH TYR 27 HH TYR 27 5.122 4.247 -9.180
44 H LEU 28 H LEU 28 1.577 -2.160 -4.759
45 HA LEU 28 HA LEU 28 4.050 -2.934 -6.106
46 1HB LEU 28 1HB LEU 28 3.321 -2.543 -3.493
47 2HB LEU 28 2HB LEU 28 3.008 -4.229 -3.635
48 HG LEU 28 HG LEU 28 5.454 -4.381 -4.684
49 1HD1 LEU 28 1HD1 LEU 28 5.721 -1.873 -4.878
50 2HD1 LEU 28 2HD1 LEU 28 5.679 -1.751 -3.126
51 3HD1 LEU 28 3HD1 LEU 28 6.989 -2.610 -3.922
52 1HD2 LEU 28 1HD2 LEU 28 4.998 -3.812 -1.719
53 2HD2 LEU 28 2HD2 LEU 28 4.917 -5.380 -2.513
54 3HD2 LEU 28 3HD2 LEU 28 6.448 -4.541 -2.385
55 H ASN 29 H ASN 29 0.912 -3.995 -5.163
56 HA ASN 29 HA ASN 29 1.380 -6.649 -6.318
57 1HB ASN 29 1HB ASN 29 0.121 -6.244 -4.237
58 2HB ASN 29 2HB ASN 29 -1.154 -5.502 -5.184
59 1HD2 ASN 29 2HD2 ASN 29 -2.081 -6.840 -6.991
60 2HD2 ASN 29 1HD2 ASN 29 -2.215 -8.516 -6.722
61 H LEU 30 H LEU 30 -0.517 -3.739 -6.982
62 HA LEU 30 HA LEU 30 -1.989 -4.886 -9.158
63 1HB LEU 30 1HB LEU 30 -2.409 -2.718 -7.942
64 2HB LEU 30 2HB LEU 30 -0.993 -2.064 -8.706
65 HG LEU 30 HG LEU 30 -3.044 -3.283 -10.568
66 1HD1 LEU 30 1HD1 LEU 30 -3.643 -0.861 -8.815
67 2HD1 LEU 30 2HD1 LEU 30 -4.447 -1.112 -10.356
68 3HD1 LEU 30 3HD1 LEU 30 -4.647 -2.279 -9.068
69 1HD2 LEU 30 1HD2 LEU 30 -1.012 -2.002 -11.349
70 2HD2 LEU 30 2HD2 LEU 30 -2.514 -1.299 -11.917
71 3HD2 LEU 30 3HD2 LEU 30 -1.656 -0.567 -10.569
72 H LEU 31 H LEU 31 1.184 -3.672 -8.692
73 HA LEU 31 HA LEU 31 1.913 -3.570 -11.522
74 1HB LEU 31 1HB LEU 31 2.972 -2.566 -9.176
75 2HB LEU 31 2HB LEU 31 4.080 -3.859 -9.426
76 HG LEU 31 HG LEU 31 4.961 -1.797 -10.440
77 1HD1 LEU 31 1HD1 LEU 31 5.209 -3.923 -11.832
78 2HD1 LEU 31 2HD1 LEU 31 3.853 -3.370 -12.801
79 3HD1 LEU 31 3HD1 LEU 31 5.331 -2.423 -12.739
80 1HD2 LEU 31 1HD2 LEU 31 2.805 -0.586 -10.612
81 2HD2 LEU 31 2HD2 LEU 31 3.731 -0.470 -12.093
82 3HD2 LEU 31 3HD2 LEU 31 2.351 -1.544 -12.009
83 H THR 32 H THR 32 1.769 -6.051 -9.190
84 HA THR 32 HA THR 32 3.587 -7.770 -10.792
85 HB THR 32 HB THR 32 3.169 -7.695 -8.129
86 HG1 THR 32 HG1 THR 32 4.585 -9.181 -8.601
87 1HG2 THR 32 1HG2 THR 32 0.652 -8.641 -8.494
88 2HG2 THR 32 2HG2 THR 32 1.491 -10.139 -8.857
89 3HG2 THR 32 3HG2 THR 32 1.673 -9.377 -7.288
90 H ARG 33 H ARG 33 0.208 -7.236 -9.988
91 HA ARG 33 HA ARG 33 -0.891 -9.341 -11.556
92 1HB ARG 33 1HB ARG 33 -1.957 -6.655 -10.556
93 2HB ARG 33 2HB ARG 33 -2.964 -7.676 -11.544
94 1HG ARG 33 1HG ARG 33 -1.615 -8.935 -9.152
95 2HG ARG 33 2HG ARG 33 -2.949 -7.839 -8.844
96 1HD ARG 33 1HD ARG 33 -4.336 -9.166 -10.491
97 2HD ARG 33 2HD ARG 33 -3.039 -10.354 -10.603
98 HE ARG 33 HE ARG 33 -3.267 -10.475 -8.038
99 1HH1 ARG 33 1HH1 ARG 33 -5.946 -9.940 -10.196
100 2HH1 ARG 33 2HH1 ARG 33 -7.124 -10.573 -9.141
101 1HH2 ARG 33 1HH2 ARG 33 -4.796 -11.357 -6.633
102 2HH2 ARG 33 2HH2 ARG 33 -6.448 -11.445 -7.065
103 H GLN 34 H GLN 34 0.574 -6.385 -12.354
104 HA GLN 34 HA GLN 34 -0.517 -6.521 -15.132
105 1HB GLN 34 1HB GLN 34 0.885 -4.283 -13.643
106 2HB GLN 34 2HB GLN 34 0.374 -4.194 -15.320
107 1HG GLN 34 1HG GLN 34 -1.815 -5.096 -13.509
108 2HG GLN 34 2HG GLN 34 -1.155 -3.534 -13.077
109 1HE2 GLN 34 2HE2 GLN 34 -2.121 -5.210 -16.149
110 2HE2 GLN 34 1HE2 GLN 34 -2.848 -3.808 -16.778
111 H ARG 35 H ARG 35 2.616 -6.488 -13.363
112 HA ARG 35 HA ARG 35 3.900 -6.852 -15.996
113 1HB ARG 35 1HB ARG 35 4.479 -5.268 -13.775
114 2HB ARG 35 2HB ARG 35 5.491 -6.636 -13.507
115 1HG ARG 35 1HG ARG 35 6.911 -5.307 -14.893
116 2HG ARG 35 2HG ARG 35 6.073 -6.156 -16.170
117 1HD ARG 35 1HD ARG 35 4.297 -4.073 -15.627
118 2HD ARG 35 2HD ARG 35 5.796 -3.269 -15.302
119 HE ARG 35 HE ARG 35 4.911 -4.498 -17.880
120 1HH1 ARG 35 1HH1 ARG 35 7.229 -2.579 -16.180
121 2HH1 ARG 35 2HH1 ARG 35 7.952 -1.917 -17.587
122 1HH2 ARG 35 1HH2 ARG 35 5.816 -3.693 -19.748
123 2HH2 ARG 35 2HH2 ARG 35 7.118 -2.589 -19.678
124 H TYR 36 H TYR 36 3.300 -8.660 -12.992
125 HA TYR 36 HA TYR 36 4.977 -10.858 -14.014
126 1HB TYR 36 1HB TYR 36 3.624 -10.108 -11.388
127 2HB TYR 36 2HB TYR 36 4.173 -11.702 -11.700
128 HD1 TYR 36 HD1 TYR 36 6.376 -9.285 -13.262
129 HD2 TYR 36 HD2 TYR 36 5.428 -11.126 -9.535
130 HE1 TYR 36 HE1 TYR 36 8.540 -8.623 -12.381
131 HE2 TYR 36 HE2 TYR 36 7.612 -10.456 -8.658
132 HH TYR 36 HH TYR 36 10.034 -9.869 -10.061
133 1HN NH2 37 1HN NH2 37 2.378 -9.783 -15.094
134 2HN NH2 37 2HN NH2 37 1.306 -11.090 -15.100
Start of MODEL 7
1 1H ACE 23 1HA ACE 23 -1.430 1.741 1.203
2 2H ACE 23 2HA ACE 23 -1.507 0.011 1.555
3 3H ACE 23 3HA ACE 23 -2.755 0.775 0.568
4 H LEU 24 H LEU 24 0.798 0.562 0.568
5 HA LEU 24 HA LEU 24 1.220 0.977 -2.131
6 1HB LEU 24 1HB LEU 24 2.986 1.010 -0.323
7 2HB LEU 24 2HB LEU 24 2.822 -0.722 -0.146
8 HG LEU 24 HG LEU 24 3.732 -1.094 -2.404
9 1HD1 LEU 24 1HD1 LEU 24 3.388 1.907 -2.633
10 2HD1 LEU 24 2HD1 LEU 24 4.737 1.177 -3.475
11 3HD1 LEU 24 3HD1 LEU 24 3.103 0.655 -3.829
12 1HD2 LEU 24 1HD2 LEU 24 5.286 -0.740 -0.434
13 2HD2 LEU 24 2HD2 LEU 24 6.005 -0.342 -1.983
14 3HD2 LEU 24 3HD2 LEU 24 5.448 0.939 -0.920
15 H ARG 25 H ARG 25 -0.184 -1.536 -0.758
16 HA ARG 25 HA ARG 25 0.595 -3.632 -2.646
17 1HB ARG 25 1HB ARG 25 -1.409 -3.408 -0.422
18 2HB ARG 25 2HB ARG 25 -2.065 -4.280 -1.779
19 1HG ARG 25 1HG ARG 25 -0.990 -5.891 -0.394
20 2HG ARG 25 2HG ARG 25 -0.071 -5.739 -1.869
21 1HD ARG 25 1HD ARG 25 1.747 -5.271 -0.648
22 2HD ARG 25 2HD ARG 25 1.039 -3.740 -0.165
23 HE ARG 25 HE ARG 25 -0.201 -5.094 1.612
24 1HH1 ARG 25 1HH1 ARG 25 2.981 -5.905 0.491
25 2HH1 ARG 25 2HH1 ARG 25 3.449 -6.718 1.912
26 1HH2 ARG 25 1HH2 ARG 25 0.378 -6.149 3.530
27 2HH2 ARG 25 2HH2 ARG 25 1.928 -6.845 3.694
28 H HIS 26 H HIS 26 -1.969 -1.273 -2.301
29 HA HIS 26 HA HIS 26 -3.555 -1.753 -4.440
30 1HB HIS 26 1HB HIS 26 -3.680 0.267 -2.859
31 2HB HIS 26 2HB HIS 26 -2.536 1.065 -3.938
32 HD1 HIS 26 HD1 HIS 26 -3.441 1.678 -6.282
33 HD2 HIS 26 HD2 HIS 26 -6.118 -0.403 -3.897
34 HE1 HIS 26 HE1 HIS 26 -5.680 1.733 -7.368
35 H TYR 27 H TYR 27 -0.316 -0.602 -4.488
36 HA TYR 27 HA TYR 27 -0.323 -0.413 -7.455
37 1HB TYR 27 1HB TYR 27 0.203 1.738 -6.341
38 2HB TYR 27 2HB TYR 27 1.464 0.959 -5.397
39 HD1 TYR 27 HD1 TYR 27 0.381 1.470 -8.896
40 HD2 TYR 27 HD2 TYR 27 3.667 0.935 -6.260
41 HE1 TYR 27 HE1 TYR 27 1.934 1.806 -10.782
42 HE2 TYR 27 HE2 TYR 27 5.221 1.267 -8.126
43 HH TYR 27 HH TYR 27 5.302 2.226 -10.342
44 H LEU 28 H LEU 28 1.303 -2.123 -4.874
45 HA LEU 28 HA LEU 28 3.455 -3.027 -6.648
46 1HB LEU 28 1HB LEU 28 3.308 -2.634 -3.979
47 2HB LEU 28 2HB LEU 28 2.763 -4.270 -4.004
48 HG LEU 28 HG LEU 28 4.888 -4.814 -5.463
49 1HD1 LEU 28 1HD1 LEU 28 5.609 -2.058 -4.344
50 2HD1 LEU 28 2HD1 LEU 28 6.803 -3.181 -4.973
51 3HD1 LEU 28 3HD1 LEU 28 5.572 -2.533 -6.035
52 1HD2 LEU 28 1HD2 LEU 28 5.150 -3.995 -2.532
53 2HD2 LEU 28 2HD2 LEU 28 4.703 -5.581 -3.145
54 3HD2 LEU 28 3HD2 LEU 28 6.328 -4.974 -3.389
55 H ASN 29 H ASN 29 0.550 -3.961 -5.129
56 HA ASN 29 HA ASN 29 0.534 -6.685 -6.036
57 1HB ASN 29 1HB ASN 29 -0.818 -5.662 -4.096
58 2HB ASN 29 2HB ASN 29 -1.816 -4.894 -5.317
59 1HD2 ASN 29 2HD2 ASN 29 -2.827 -6.409 -6.918
60 2HD2 ASN 29 1HD2 ASN 29 -3.399 -7.876 -6.289
61 H LEU 30 H LEU 30 -0.762 -3.653 -7.130
62 HA LEU 30 HA LEU 30 -2.006 -4.658 -9.520
63 1HB LEU 30 1HB LEU 30 -2.546 -2.542 -8.387
64 2HB LEU 30 2HB LEU 30 -0.973 -1.916 -8.746
65 HG LEU 30 HG LEU 30 -2.685 -2.835 -11.084
66 1HD1 LEU 30 1HD1 LEU 30 -2.936 -0.131 -9.673
67 2HD1 LEU 30 2HD1 LEU 30 -3.702 -0.536 -11.199
68 3HD1 LEU 30 3HD1 LEU 30 -4.179 -1.361 -9.724
69 1HD2 LEU 30 1HD2 LEU 30 -0.331 -0.986 -10.645
70 2HD2 LEU 30 2HD2 LEU 30 -0.636 -2.110 -11.951
71 3HD2 LEU 30 3HD2 LEU 30 -1.448 -0.562 -11.931
72 H LEU 31 H LEU 31 1.190 -3.857 -8.560
73 HA LEU 31 HA LEU 31 2.203 -3.704 -11.333
74 1HB LEU 31 1HB LEU 31 3.253 -2.915 -8.779
75 2HB LEU 31 2HB LEU 31 4.232 -4.268 -9.213
76 HG LEU 31 HG LEU 31 5.153 -2.052 -9.957
77 1HD1 LEU 31 1HD1 LEU 31 5.434 -4.334 -11.255
78 2HD1 LEU 31 2HD1 LEU 31 4.414 -3.584 -12.464
79 3HD1 LEU 31 3HD1 LEU 31 5.953 -2.853 -12.028
80 1HD2 LEU 31 1HD2 LEU 31 2.708 -1.209 -10.457
81 2HD2 LEU 31 2HD2 LEU 31 4.022 -0.631 -11.462
82 3HD2 LEU 31 3HD2 LEU 31 2.962 -1.888 -12.055
83 H THR 32 H THR 32 2.080 -6.174 -8.877
84 HA THR 32 HA THR 32 3.696 -7.895 -10.619
85 HB THR 32 HB THR 32 3.343 -8.024 -8.006
86 HG1 THR 32 HG1 THR 32 4.443 -9.771 -8.455
87 1HG2 THR 32 1HG2 THR 32 0.735 -8.580 -8.353
88 2HG2 THR 32 2HG2 THR 32 1.329 -10.160 -8.837
89 3HG2 THR 32 3HG2 THR 32 1.650 -9.550 -7.220
90 H ARG 33 H ARG 33 0.240 -7.057 -10.256
91 HA ARG 33 HA ARG 33 -0.514 -9.365 -11.876
92 1HB ARG 33 1HB ARG 33 -2.680 -8.765 -11.307
93 2HB ARG 33 2HB ARG 33 -1.810 -8.029 -9.986
94 1HG ARG 33 1HG ARG 33 -3.009 -6.200 -10.458
95 2HG ARG 33 2HG ARG 33 -1.832 -5.922 -11.727
96 1HD ARG 33 1HD ARG 33 -3.347 -7.045 -13.369
97 2HD ARG 33 2HD ARG 33 -4.453 -7.456 -12.063
98 HE ARG 33 HE ARG 33 -3.657 -4.655 -12.684
99 1HH1 ARG 33 1HH1 ARG 33 -6.177 -6.973 -12.188
100 2HH1 ARG 33 2HH1 ARG 33 -7.465 -5.846 -12.174
101 1HH2 ARG 33 1HH2 ARG 33 -5.315 -3.114 -12.707
102 2HH2 ARG 33 2HH2 ARG 33 -6.963 -3.568 -12.535
103 H GLN 34 H GLN 34 0.840 -6.372 -12.559
104 HA GLN 34 HA GLN 34 -0.225 -6.379 -15.350
105 1HB GLN 34 1HB GLN 34 0.050 -4.085 -15.331
106 2HB GLN 34 2HB GLN 34 -0.469 -4.420 -13.694
107 1HG GLN 34 1HG GLN 34 1.256 -3.102 -13.065
108 2HG GLN 34 2HG GLN 34 2.245 -4.525 -13.316
109 1HE2 GLN 34 2HE2 GLN 34 0.776 -2.267 -15.700
110 2HE2 GLN 34 1HE2 GLN 34 2.262 -1.906 -16.423
111 H ARG 35 H ARG 35 2.634 -6.620 -13.344
112 HA ARG 35 HA ARG 35 4.319 -6.802 -15.784
113 1HB ARG 35 1HB ARG 35 4.812 -5.397 -13.540
114 2HB ARG 35 2HB ARG 35 5.410 -6.929 -12.965
115 1HG ARG 35 1HG ARG 35 7.350 -5.987 -13.918
116 2HG ARG 35 2HG ARG 35 6.773 -6.982 -15.235
117 1HD ARG 35 1HD ARG 35 6.539 -5.143 -16.576
118 2HD ARG 35 2HD ARG 35 5.438 -4.405 -15.449
119 HE ARG 35 HE ARG 35 8.434 -4.234 -15.319
120 1HH1 ARG 35 1HH1 ARG 35 5.309 -2.809 -14.662
121 2HH1 ARG 35 2HH1 ARG 35 5.954 -1.351 -14.066
122 1HH2 ARG 35 1HH2 ARG 35 9.297 -2.360 -14.543
123 2HH2 ARG 35 2HH2 ARG 35 8.296 -1.085 -14.005
124 H TYR 36 H TYR 36 3.509 -8.893 -12.885
125 HA TYR 36 HA TYR 36 5.128 -10.991 -14.159
126 1HB TYR 36 1HB TYR 36 3.782 -10.482 -11.482
127 2HB TYR 36 2HB TYR 36 3.985 -12.125 -11.999
128 HD1 TYR 36 HD1 TYR 36 5.766 -8.940 -11.413
129 HD2 TYR 36 HD2 TYR 36 6.217 -13.130 -11.985
130 HE1 TYR 36 HE1 TYR 36 8.125 -8.760 -10.809
131 HE2 TYR 36 HE2 TYR 36 8.574 -12.960 -11.381
132 HH TYR 36 HH TYR 36 10.308 -11.516 -10.937
133 1HN NH2 37 1HN NH2 37 3.248 -10.165 -15.832
134 2HN NH2 37 2HN NH2 37 1.944 -11.246 -15.944
Start of MODEL 8
1 1H ACE 23 1HA ACE 23 -3.010 0.719 0.479
2 2H ACE 23 2HA ACE 23 -1.749 1.724 1.185
3 3H ACE 23 3HA ACE 23 -1.768 -0.018 1.495
4 H LEU 24 H LEU 24 0.550 0.649 0.606
5 HA LEU 24 HA LEU 24 1.032 1.141 -2.088
6 1HB LEU 24 1HB LEU 24 2.749 1.232 -0.268
7 2HB LEU 24 2HB LEU 24 2.644 -0.504 -0.077
8 HG LEU 24 HG LEU 24 3.624 -0.857 -2.316
9 1HD1 LEU 24 1HD1 LEU 24 3.223 2.144 -2.540
10 2HD1 LEU 24 2HD1 LEU 24 4.556 1.408 -3.402
11 3HD1 LEU 24 3HD1 LEU 24 2.914 0.892 -3.724
12 1HD2 LEU 24 1HD2 LEU 24 5.125 -0.485 -0.342
13 2HD2 LEU 24 2HD2 LEU 24 5.857 0.049 -1.842
14 3HD2 LEU 24 3HD2 LEU 24 5.183 1.226 -0.726
15 H ARG 25 H ARG 25 -0.293 -1.443 -0.795
16 HA ARG 25 HA ARG 25 0.613 -3.531 -2.605
17 1HB ARG 25 1HB ARG 25 -1.455 -3.270 -0.453
18 2HB ARG 25 2HB ARG 25 -2.077 -4.203 -1.783
19 1HG ARG 25 1HG ARG 25 -1.000 -5.753 -0.335
20 2HG ARG 25 2HG ARG 25 -0.019 -5.625 -1.771
21 1HD ARG 25 1HD ARG 25 1.736 -5.047 -0.493
22 2HD ARG 25 2HD ARG 25 0.949 -3.540 -0.055
23 HE ARG 25 HE ARG 25 -0.298 -4.910 1.685
24 1HH1 ARG 25 1HH1 ARG 25 2.943 -5.660 0.671
25 2HH1 ARG 25 2HH1 ARG 25 3.384 -6.441 2.119
26 1HH2 ARG 25 1HH2 ARG 25 0.245 -5.927 3.626
27 2HH2 ARG 25 2HH2 ARG 25 1.806 -6.582 3.859
28 H HIS 26 H HIS 26 -1.977 -1.174 -2.487
29 HA HIS 26 HA HIS 26 -3.410 -1.770 -4.701
30 1HB HIS 26 1HB HIS 26 -3.695 0.287 -3.202
31 2HB HIS 26 2HB HIS 26 -2.473 1.079 -4.191
32 HD1 HIS 26 HD1 HIS 26 -3.229 1.773 -6.558
33 HD2 HIS 26 HD2 HIS 26 -6.028 -0.473 -4.469
34 HE1 HIS 26 HE1 HIS 26 -5.393 1.808 -7.805
35 H TYR 27 H TYR 27 -0.209 -0.548 -4.617
36 HA TYR 27 HA TYR 27 -0.042 -0.425 -7.584
37 1HB TYR 27 1HB TYR 27 0.314 1.707 -6.501
38 2HB TYR 27 2HB TYR 27 1.412 0.996 -5.345
39 HD1 TYR 27 HD1 TYR 27 1.073 2.196 -8.814
40 HD2 TYR 27 HD2 TYR 27 3.770 0.656 -5.895
41 HE1 TYR 27 HE1 TYR 27 2.979 2.895 -10.195
42 HE2 TYR 27 HE2 TYR 27 5.662 1.360 -7.287
43 HH TYR 27 HH TYR 27 5.831 1.808 -10.087
44 H LEU 28 H LEU 28 1.291 -2.135 -4.905
45 HA LEU 28 HA LEU 28 3.570 -3.107 -6.497
46 1HB LEU 28 1HB LEU 28 3.335 -2.584 -3.886
47 2HB LEU 28 2HB LEU 28 2.733 -4.202 -3.839
48 HG LEU 28 HG LEU 28 4.848 -4.905 -5.225
49 1HD1 LEU 28 1HD1 LEU 28 5.656 -2.118 -4.268
50 2HD1 LEU 28 2HD1 LEU 28 6.821 -3.323 -4.789
51 3HD1 LEU 28 3HD1 LEU 28 5.642 -2.707 -5.925
52 1HD2 LEU 28 1HD2 LEU 28 5.173 -3.918 -2.352
53 2HD2 LEU 28 2HD2 LEU 28 4.563 -5.493 -2.838
54 3HD2 LEU 28 3HD2 LEU 28 6.235 -5.070 -3.142
55 H ASN 29 H ASN 29 0.624 -3.953 -5.112
56 HA ASN 29 HA ASN 29 0.615 -6.745 -5.858
57 1HB ASN 29 1HB ASN 29 -0.736 -5.670 -3.954
58 2HB ASN 29 2HB ASN 29 -1.737 -4.946 -5.202
59 1HD2 ASN 29 2HD2 ASN 29 -2.790 -6.548 -6.729
60 2HD2 ASN 29 1HD2 ASN 29 -3.293 -8.017 -6.040
61 H LEU 30 H LEU 30 -0.667 -3.748 -7.125
62 HA LEU 30 HA LEU 30 -1.897 -5.045 -9.410
63 1HB LEU 30 1HB LEU 30 -2.568 -2.883 -8.393
64 2HB LEU 30 2HB LEU 30 -1.069 -2.176 -8.901
65 HG LEU 30 HG LEU 30 -2.530 -3.514 -11.155
66 1HD1 LEU 30 1HD1 LEU 30 -3.722 -1.052 -9.812
67 2HD1 LEU 30 2HD1 LEU 30 -4.207 -1.684 -11.378
68 3HD1 LEU 30 3HD1 LEU 30 -4.477 -2.633 -9.929
69 1HD2 LEU 30 1HD2 LEU 30 -1.159 -0.831 -10.695
70 2HD2 LEU 30 2HD2 LEU 30 -0.607 -2.173 -11.692
71 3HD2 LEU 30 3HD2 LEU 30 -1.985 -1.213 -12.196
72 H LEU 31 H LEU 31 1.253 -3.987 -8.475
73 HA LEU 31 HA LEU 31 2.277 -3.707 -11.196
74 1HB LEU 31 1HB LEU 31 3.336 -3.238 -8.551
75 2HB LEU 31 2HB LEU 31 4.355 -4.456 -9.217
76 HG LEU 31 HG LEU 31 5.281 -2.251 -9.759
77 1HD1 LEU 31 1HD1 LEU 31 5.321 -4.103 -11.551
78 2HD1 LEU 31 2HD1 LEU 31 4.035 -3.231 -12.365
79 3HD1 LEU 31 3HD1 LEU 31 5.589 -2.465 -12.122
80 1HD2 LEU 31 1HD2 LEU 31 2.454 -1.564 -10.339
81 2HD2 LEU 31 2HD2 LEU 31 3.777 -0.547 -9.846
82 3HD2 LEU 31 3HD2 LEU 31 3.581 -0.952 -11.541
83 H THR 32 H THR 32 2.218 -6.292 -8.822
84 HA THR 32 HA THR 32 3.708 -8.017 -10.668
85 HB THR 32 HB THR 32 3.435 -8.251 -8.091
86 HG1 THR 32 HG1 THR 32 4.303 -10.139 -8.611
87 1HG2 THR 32 1HG2 THR 32 0.749 -8.567 -8.405
88 2HG2 THR 32 2HG2 THR 32 1.215 -10.205 -8.815
89 3HG2 THR 32 3HG2 THR 32 1.603 -9.541 -7.236
90 H ARG 33 H ARG 33 0.341 -7.202 -10.062
91 HA ARG 33 HA ARG 33 -0.733 -9.290 -11.728
92 1HB ARG 33 1HB ARG 33 -1.893 -6.585 -10.896
93 2HB ARG 33 2HB ARG 33 -2.804 -7.759 -11.798
94 1HG ARG 33 1HG ARG 33 -1.583 -8.899 -9.315
95 2HG ARG 33 2HG ARG 33 -2.657 -7.576 -9.006
96 1HD ARG 33 1HD ARG 33 -4.096 -9.409 -8.958
97 2HD ARG 33 2HD ARG 33 -4.386 -8.784 -10.585
98 HE ARG 33 HE ARG 33 -2.404 -10.382 -11.160
99 1HH1 ARG 33 1HH1 ARG 33 -5.005 -11.029 -8.967
100 2HH1 ARG 33 2HH1 ARG 33 -4.938 -12.725 -9.142
101 1HH2 ARG 33 1HH2 ARG 33 -2.270 -12.586 -11.440
102 2HH2 ARG 33 2HH2 ARG 33 -3.340 -13.646 -10.627
103 H GLN 34 H GLN 34 0.545 -6.142 -12.372
104 HA GLN 34 HA GLN 34 -0.381 -6.302 -15.209
105 1HB GLN 34 1HB GLN 34 -0.068 -4.003 -15.301
106 2HB GLN 34 2HB GLN 34 -0.616 -4.270 -13.659
107 1HG GLN 34 1HG GLN 34 1.193 -2.894 -13.154
108 2HG GLN 34 2HG GLN 34 2.067 -4.411 -13.195
109 1HE2 GLN 34 2HE2 GLN 34 0.906 -2.041 -15.644
110 2HE2 GLN 34 1HE2 GLN 34 2.368 -2.052 -16.509
111 H ARG 35 H ARG 35 2.469 -6.568 -13.293
112 HA ARG 35 HA ARG 35 4.115 -6.648 -15.751
113 1HB ARG 35 1HB ARG 35 4.657 -5.250 -13.570
114 2HB ARG 35 2HB ARG 35 5.212 -6.766 -12.903
115 1HG ARG 35 1HG ARG 35 7.121 -5.601 -13.812
116 2HG ARG 35 2HG ARG 35 6.814 -6.993 -14.832
117 1HD ARG 35 1HD ARG 35 5.711 -5.505 -16.550
118 2HD ARG 35 2HD ARG 35 5.734 -4.199 -15.408
119 HE ARG 35 HE ARG 35 8.016 -3.848 -15.753
120 1HH1 ARG 35 1HH1 ARG 35 6.895 -6.700 -17.288
121 2HH1 ARG 35 2HH1 ARG 35 8.242 -6.913 -18.327
122 1HH2 ARG 35 1HH2 ARG 35 9.855 -4.025 -17.028
123 2HH2 ARG 35 2HH2 ARG 35 10.021 -5.307 -18.142
124 H TYR 36 H TYR 36 3.418 -8.897 -12.992
125 HA TYR 36 HA TYR 36 5.203 -10.828 -14.271
126 1HB TYR 36 1HB TYR 36 3.570 -10.612 -11.734
127 2HB TYR 36 2HB TYR 36 3.693 -12.205 -12.427
128 HD1 TYR 36 HD1 TYR 36 5.616 -9.300 -11.230
129 HD2 TYR 36 HD2 TYR 36 5.820 -13.399 -12.363
130 HE1 TYR 36 HE1 TYR 36 7.880 -9.412 -10.364
131 HE2 TYR 36 HE2 TYR 36 8.094 -13.521 -11.493
132 HH TYR 36 HH TYR 36 9.446 -11.095 -9.539
133 1HN NH2 37 1HN NH2 37 1.998 -9.688 -14.514
134 2HN NH2 37 2HN NH2 37 1.390 -10.907 -15.521
Start of MODEL 9
1 1H ACE 23 1HA ACE 23 -1.813 -0.203 1.502
2 2H ACE 23 2HA ACE 23 -3.091 0.490 0.503
3 3H ACE 23 3HA ACE 23 -1.895 1.544 1.245
4 H LEU 24 H LEU 24 0.482 0.448 0.650
5 HA LEU 24 HA LEU 24 0.882 1.092 -2.033
6 1HB LEU 24 1HB LEU 24 2.488 1.202 -0.021
7 2HB LEU 24 2HB LEU 24 2.665 -0.522 -0.120
8 HG LEU 24 HG LEU 24 4.426 1.207 -1.168
9 1HD1 LEU 24 1HD1 LEU 24 3.641 -1.550 -1.907
10 2HD1 LEU 24 2HD1 LEU 24 4.662 -0.733 -3.082
11 3HD1 LEU 24 3HD1 LEU 24 5.193 -0.902 -1.425
12 1HD2 LEU 24 1HD2 LEU 24 2.639 2.216 -2.731
13 2HD2 LEU 24 2HD2 LEU 24 4.164 1.765 -3.454
14 3HD2 LEU 24 3HD2 LEU 24 2.767 0.727 -3.659
15 H ARG 25 H ARG 25 -0.290 -1.602 -0.793
16 HA ARG 25 HA ARG 25 0.718 -3.558 -2.705
17 1HB ARG 25 1HB ARG 25 -1.385 -3.587 -0.563
18 2HB ARG 25 2HB ARG 25 -1.899 -4.461 -1.979
19 1HG ARG 25 1HG ARG 25 -0.751 -6.022 -0.601
20 2HG ARG 25 2HG ARG 25 0.225 -5.732 -2.018
21 1HD ARG 25 1HD ARG 25 1.907 -5.125 -0.711
22 2HD ARG 25 2HD ARG 25 1.021 -3.698 -0.184
23 HE ARG 25 HE ARG 25 -0.148 -5.315 1.454
24 1HH1 ARG 25 1HH1 ARG 25 3.165 -5.590 0.489
25 2HH1 ARG 25 2HH1 ARG 25 3.675 -6.421 1.887
26 1HH2 ARG 25 1HH2 ARG 25 0.470 -6.399 3.343
27 2HH2 ARG 25 2HH2 ARG 25 2.089 -6.885 3.563
28 H HIS 26 H HIS 26 -1.879 -1.257 -2.497
29 HA HIS 26 HA HIS 26 -3.357 -2.036 -4.701
30 1HB HIS 26 1HB HIS 26 -3.726 -0.028 -3.057
31 2HB HIS 26 2HB HIS 26 -2.811 0.898 -4.249
32 HD1 HIS 26 HD1 HIS 26 -3.974 1.235 -6.543
33 HD2 HIS 26 HD2 HIS 26 -6.049 -1.178 -3.884
34 HE1 HIS 26 HE1 HIS 26 -6.266 0.843 -7.439
35 H TYR 27 H TYR 27 -0.228 -0.729 -4.555
36 HA TYR 27 HA TYR 27 -0.116 -0.389 -7.512
37 1HB TYR 27 1HB TYR 27 0.077 1.720 -6.292
38 2HB TYR 27 2HB TYR 27 1.343 1.050 -5.278
39 HD1 TYR 27 HD1 TYR 27 0.531 1.746 -8.836
40 HD2 TYR 27 HD2 TYR 27 3.592 1.357 -5.912
41 HE1 TYR 27 HE1 TYR 27 2.192 2.521 -10.480
42 HE2 TYR 27 HE2 TYR 27 5.255 2.131 -7.556
43 HH TYR 27 HH TYR 27 4.794 2.210 -10.767
44 H LEU 28 H LEU 28 1.262 -2.093 -4.912
45 HA LEU 28 HA LEU 28 3.671 -2.825 -6.410
46 1HB LEU 28 1HB LEU 28 3.162 -2.402 -3.782
47 2HB LEU 28 2HB LEU 28 2.800 -4.084 -3.826
48 HG LEU 28 HG LEU 28 5.214 -3.486 -3.168
49 1HD1 LEU 28 1HD1 LEU 28 4.811 -5.289 -5.597
50 2HD1 LEU 28 2HD1 LEU 28 6.216 -5.308 -4.552
51 3HD1 LEU 28 3HD1 LEU 28 4.647 -5.755 -3.912
52 1HD2 LEU 28 1HD2 LEU 28 5.283 -1.688 -5.122
53 2HD2 LEU 28 2HD2 LEU 28 6.735 -2.560 -4.683
54 3HD2 LEU 28 3HD2 LEU 28 5.819 -3.043 -6.097
55 H ASN 29 H ASN 29 0.675 -3.974 -5.183
56 HA ASN 29 HA ASN 29 1.015 -6.674 -6.212
57 1HB ASN 29 1HB ASN 29 -0.360 -6.073 -4.234
58 2HB ASN 29 2HB ASN 29 -1.501 -5.286 -5.318
59 1HD2 ASN 29 2HD2 ASN 29 -2.568 -6.569 -6.891
60 2HD2 ASN 29 1HD2 ASN 29 -2.692 -8.268 -6.711
61 H LEU 30 H LEU 30 -0.679 -3.709 -7.154
62 HA LEU 30 HA LEU 30 -1.944 -4.807 -9.467
63 1HB LEU 30 1HB LEU 30 -2.463 -2.611 -8.406
64 2HB LEU 30 2HB LEU 30 -0.898 -2.008 -8.862
65 HG LEU 30 HG LEU 30 -1.472 -2.248 -11.294
66 1HD1 LEU 30 1HD1 LEU 30 -4.096 -3.304 -10.155
67 2HD1 LEU 30 2HD1 LEU 30 -4.011 -2.626 -11.771
68 3HD1 LEU 30 3HD1 LEU 30 -3.066 -4.042 -11.374
69 1HD2 LEU 30 1HD2 LEU 30 -3.535 -0.664 -9.689
70 2HD2 LEU 30 2HD2 LEU 30 -1.937 -0.098 -10.144
71 3HD2 LEU 30 3HD2 LEU 30 -3.141 -0.395 -11.382
72 H LEU 31 H LEU 31 1.223 -3.761 -8.644
73 HA LEU 31 HA LEU 31 2.297 -3.663 -11.348
74 1HB LEU 31 1HB LEU 31 3.247 -3.099 -8.653
75 2HB LEU 31 2HB LEU 31 4.300 -4.324 -9.260
76 HG LEU 31 HG LEU 31 5.258 -2.142 -9.766
77 1HD1 LEU 31 1HD1 LEU 31 5.415 -3.929 -11.568
78 2HD1 LEU 31 2HD1 LEU 31 4.092 -3.133 -12.406
79 3HD1 LEU 31 3HD1 LEU 31 5.604 -2.286 -12.147
80 1HD2 LEU 31 1HD2 LEU 31 2.505 -1.480 -10.847
81 2HD2 LEU 31 2HD2 LEU 31 3.471 -0.607 -9.677
82 3HD2 LEU 31 3HD2 LEU 31 3.918 -0.587 -11.375
83 H THR 32 H THR 32 2.154 -6.122 -8.822
84 HA THR 32 HA THR 32 3.631 -7.978 -10.547
85 HB THR 32 HB THR 32 3.220 -8.091 -7.952
86 HG1 THR 32 HG1 THR 32 4.187 -9.935 -8.329
87 1HG2 THR 32 1HG2 THR 32 0.554 -8.614 -8.451
88 2HG2 THR 32 2HG2 THR 32 1.194 -10.226 -8.709
89 3HG2 THR 32 3HG2 THR 32 1.399 -9.431 -7.159
90 H ARG 33 H ARG 33 0.250 -7.143 -10.082
91 HA ARG 33 HA ARG 33 -0.747 -9.264 -11.739
92 1HB ARG 33 1HB ARG 33 -1.886 -6.618 -10.751
93 2HB ARG 33 2HB ARG 33 -2.830 -7.647 -11.793
94 1HG ARG 33 1HG ARG 33 -1.549 -8.854 -9.325
95 2HG ARG 33 2HG ARG 33 -2.949 -7.836 -9.118
96 1HD ARG 33 1HD ARG 33 -4.335 -9.494 -9.822
97 2HD ARG 33 2HD ARG 33 -3.492 -9.696 -11.322
98 HE ARG 33 HE ARG 33 -2.857 -11.026 -8.719
99 1HH1 ARG 33 1HH1 ARG 33 -2.466 -10.872 -12.152
100 2HH1 ARG 33 2HH1 ARG 33 -1.735 -12.403 -12.304
101 1HH2 ARG 33 1HH2 ARG 33 -1.891 -13.042 -8.831
102 2HH2 ARG 33 2HH2 ARG 33 -1.389 -13.686 -10.334
103 H GLN 34 H GLN 34 0.662 -6.220 -12.396
104 HA GLN 34 HA GLN 34 -0.320 -6.309 -15.225
105 1HB GLN 34 1HB GLN 34 1.121 -4.153 -13.649
106 2HB GLN 34 2HB GLN 34 0.679 -3.982 -15.335
107 1HG GLN 34 1HG GLN 34 -1.592 -4.831 -13.588
108 2HG GLN 34 2HG GLN 34 -0.898 -3.287 -13.155
109 1HE2 GLN 34 2HE2 GLN 34 -1.433 -4.814 -16.395
110 2HE2 GLN 34 1HE2 GLN 34 -2.318 -3.488 -16.970
111 H ARG 35 H ARG 35 2.559 -6.630 -13.301
112 HA ARG 35 HA ARG 35 4.171 -6.819 -15.760
113 1HB ARG 35 1HB ARG 35 4.561 -5.511 -13.353
114 2HB ARG 35 2HB ARG 35 5.402 -6.991 -13.065
115 1HG ARG 35 1HG ARG 35 6.943 -5.312 -14.047
116 2HG ARG 35 2HG ARG 35 6.649 -6.489 -15.309
117 1HD ARG 35 1HD ARG 35 4.570 -4.344 -15.286
118 2HD ARG 35 2HD ARG 35 6.167 -3.678 -15.457
119 HE ARG 35 HE ARG 35 5.007 -5.837 -17.212
120 1HH1 ARG 35 1HH1 ARG 35 6.995 -2.995 -16.873
121 2HH1 ARG 35 2HH1 ARG 35 7.396 -2.934 -18.534
122 1HH2 ARG 35 1HH2 ARG 35 5.515 -5.750 -19.383
123 2HH2 ARG 35 2HH2 ARG 35 6.539 -4.521 -19.984
124 H TYR 36 H TYR 36 3.386 -8.897 -12.862
125 HA TYR 36 HA TYR 36 5.008 -11.005 -14.093
126 1HB TYR 36 1HB TYR 36 3.534 -10.523 -11.501
127 2HB TYR 36 2HB TYR 36 3.565 -12.160 -12.061
128 HD1 TYR 36 HD1 TYR 36 5.618 -9.257 -11.153
129 HD2 TYR 36 HD2 TYR 36 5.686 -13.404 -12.090
130 HE1 TYR 36 HE1 TYR 36 7.926 -9.370 -10.408
131 HE2 TYR 36 HE2 TYR 36 8.012 -13.530 -11.341
132 HH TYR 36 HH TYR 36 9.622 -10.807 -9.836
133 1HN NH2 37 1HN NH2 37 3.510 -10.416 -16.041
134 2HN NH2 37 2HN NH2 37 2.122 -11.385 -16.223
Start of MODEL 10
1 1H ACE 23 1HA ACE 23 -3.006 0.777 0.533
2 2H ACE 23 2HA ACE 23 -1.770 1.881 1.125
3 3H ACE 23 3HA ACE 23 -1.673 0.158 1.511
4 H LEU 24 H LEU 24 0.558 0.847 0.477
5 HA LEU 24 HA LEU 24 0.867 1.255 -2.258
6 1HB LEU 24 1HB LEU 24 2.668 1.508 -0.512
7 2HB LEU 24 2HB LEU 24 2.682 -0.227 -0.289
8 HG LEU 24 HG LEU 24 3.528 -0.548 -2.600
9 1HD1 LEU 24 1HD1 LEU 24 3.042 2.448 -2.763
10 2HD1 LEU 24 2HD1 LEU 24 4.316 1.738 -3.729
11 3HD1 LEU 24 3HD1 LEU 24 2.659 1.203 -3.931
12 1HD2 LEU 24 1HD2 LEU 24 5.107 -0.105 -0.681
13 2HD2 LEU 24 2HD2 LEU 24 5.746 0.387 -2.238
14 3HD2 LEU 24 3HD2 LEU 24 5.117 1.593 -1.125
15 H ARG 25 H ARG 25 -0.275 -1.327 -0.792
16 HA ARG 25 HA ARG 25 0.666 -3.434 -2.570
17 1HB ARG 25 1HB ARG 25 -1.336 -3.232 -0.348
18 2HB ARG 25 2HB ARG 25 -1.958 -4.218 -1.637
19 1HG ARG 25 1HG ARG 25 -0.755 -5.683 -0.199
20 2HG ARG 25 2HG ARG 25 0.148 -5.544 -1.685
21 1HD ARG 25 1HD ARG 25 1.927 -4.840 -0.540
22 2HD ARG 25 2HD ARG 25 1.085 -3.373 -0.056
23 HE ARG 25 HE ARG 25 0.013 -4.882 1.740
24 1HH1 ARG 25 1HH1 ARG 25 3.279 -5.168 0.610
25 2HH1 ARG 25 2HH1 ARG 25 3.886 -5.882 2.038
26 1HH2 ARG 25 1HH2 ARG 25 0.771 -5.804 3.666
27 2HH2 ARG 25 2HH2 ARG 25 2.413 -6.235 3.836
28 H HIS 26 H HIS 26 -1.989 -1.153 -2.438
29 HA HIS 26 HA HIS 26 -3.506 -1.909 -4.563
30 1HB HIS 26 1HB HIS 26 -3.866 0.171 -3.173
31 2HB HIS 26 2HB HIS 26 -2.622 0.973 -4.127
32 HD1 HIS 26 HD1 HIS 26 -3.290 1.619 -6.522
33 HD2 HIS 26 HD2 HIS 26 -6.145 -0.621 -4.511
34 HE1 HIS 26 HE1 HIS 26 -5.400 1.612 -7.858
35 H TYR 27 H TYR 27 -0.311 -0.696 -4.642
36 HA TYR 27 HA TYR 27 -0.248 -0.624 -7.618
37 1HB TYR 27 1HB TYR 27 0.288 1.568 -6.750
38 2HB TYR 27 2HB TYR 27 1.288 0.887 -5.484
39 HD1 TYR 27 HD1 TYR 27 1.076 1.334 -9.173
40 HD2 TYR 27 HD2 TYR 27 3.607 0.411 -5.863
41 HE1 TYR 27 HE1 TYR 27 3.034 1.428 -10.632
42 HE2 TYR 27 HE2 TYR 27 5.558 0.512 -7.341
43 HH TYR 27 HH TYR 27 5.765 1.939 -10.018
44 H LEU 28 H LEU 28 1.448 -2.056 -4.870
45 HA LEU 28 HA LEU 28 3.587 -3.124 -6.525
46 1HB LEU 28 1HB LEU 28 3.309 -2.444 -3.911
47 2HB LEU 28 2HB LEU 28 2.912 -4.117 -3.780
48 HG LEU 28 HG LEU 28 5.449 -3.210 -5.252
49 1HD1 LEU 28 1HD1 LEU 28 5.203 -3.848 -2.271
50 2HD1 LEU 28 2HD1 LEU 28 6.712 -3.606 -3.135
51 3HD1 LEU 28 3HD1 LEU 28 5.584 -2.277 -2.959
52 1HD2 LEU 28 1HD2 LEU 28 4.647 -5.827 -3.888
53 2HD2 LEU 28 2HD2 LEU 28 4.773 -5.554 -5.619
54 3HD2 LEU 28 3HD2 LEU 28 6.211 -5.523 -4.623
55 H ASN 29 H ASN 29 0.641 -3.953 -5.015
56 HA ASN 29 HA ASN 29 0.763 -6.731 -5.714
57 1HB ASN 29 1HB ASN 29 -0.614 -5.699 -3.851
58 2HB ASN 29 2HB ASN 29 -1.669 -5.042 -5.091
59 1HD2 ASN 29 2HD2 ASN 29 -2.601 -6.653 -6.629
60 2HD2 ASN 29 1HD2 ASN 29 -3.101 -8.127 -5.954
61 H LEU 30 H LEU 30 -0.461 -3.780 -7.104
62 HA LEU 30 HA LEU 30 -1.724 -5.174 -9.327
63 1HB LEU 30 1HB LEU 30 -2.443 -3.023 -8.346
64 2HB LEU 30 2HB LEU 30 -0.984 -2.282 -8.908
65 HG LEU 30 HG LEU 30 -2.300 -3.724 -11.147
66 1HD1 LEU 30 1HD1 LEU 30 -3.869 -1.528 -9.750
67 2HD1 LEU 30 2HD1 LEU 30 -4.220 -2.133 -11.361
68 3HD1 LEU 30 3HD1 LEU 30 -4.384 -3.192 -9.972
69 1HD2 LEU 30 1HD2 LEU 30 -1.492 -0.823 -10.687
70 2HD2 LEU 30 2HD2 LEU 30 -0.533 -2.064 -11.483
71 3HD2 LEU 30 3HD2 LEU 30 -2.007 -1.480 -12.231
72 H LEU 31 H LEU 31 1.400 -4.080 -8.422
73 HA LEU 31 HA LEU 31 2.431 -3.758 -11.145
74 1HB LEU 31 1HB LEU 31 3.481 -3.196 -8.572
75 2HB LEU 31 2HB LEU 31 4.388 -4.604 -9.006
76 HG LEU 31 HG LEU 31 5.485 -2.417 -9.608
77 1HD1 LEU 31 1HD1 LEU 31 5.697 -4.642 -11.021
78 2HD1 LEU 31 2HD1 LEU 31 4.789 -3.736 -12.222
79 3HD1 LEU 31 3HD1 LEU 31 6.338 -3.131 -11.660
80 1HD2 LEU 31 1HD2 LEU 31 3.148 -1.368 -10.224
81 2HD2 LEU 31 2HD2 LEU 31 4.594 -0.862 -11.080
82 3HD2 LEU 31 3HD2 LEU 31 3.485 -1.975 -11.838
83 H THR 32 H THR 32 2.382 -6.390 -8.778
84 HA THR 32 HA THR 32 3.765 -8.099 -10.695
85 HB THR 32 HB THR 32 3.626 -8.403 -8.174
86 HG1 THR 32 HG1 THR 32 4.307 -10.326 -8.899
87 1HG2 THR 32 1HG2 THR 32 0.840 -8.462 -8.480
88 2HG2 THR 32 2HG2 THR 32 1.228 -10.169 -8.442
89 3HG2 THR 32 3HG2 THR 32 1.681 -9.132 -7.101
90 H ARG 33 H ARG 33 0.467 -7.076 -10.160
91 HA ARG 33 HA ARG 33 -0.697 -9.172 -11.792
92 1HB ARG 33 1HB ARG 33 -1.729 -6.459 -10.894
93 2HB ARG 33 2HB ARG 33 -2.701 -7.563 -11.823
94 1HG ARG 33 1HG ARG 33 -1.321 -8.588 -9.335
95 2HG ARG 33 2HG ARG 33 -2.750 -7.630 -9.140
96 1HD ARG 33 1HD ARG 33 -4.142 -9.287 -10.076
97 2HD ARG 33 2HD ARG 33 -2.935 -9.759 -11.233
98 HE ARG 33 HE ARG 33 -1.716 -10.974 -9.561
99 1HH1 ARG 33 1HH1 ARG 33 -4.911 -9.980 -8.662
100 2HH1 ARG 33 2HH1 ARG 33 -5.094 -11.142 -7.433
101 1HH2 ARG 33 1HH2 ARG 33 -1.908 -12.544 -7.967
102 2HH2 ARG 33 2HH2 ARG 33 -3.329 -12.666 -7.027
103 H GLN 34 H GLN 34 0.585 -6.010 -12.450
104 HA GLN 34 HA GLN 34 -0.332 -6.238 -15.273
105 1HB GLN 34 1HB GLN 34 -0.021 -3.887 -15.381
106 2HB GLN 34 2HB GLN 34 -0.617 -4.171 -13.766
107 1HG GLN 34 1HG GLN 34 1.143 -2.846 -13.120
108 2HG GLN 34 2HG GLN 34 2.067 -4.326 -13.224
109 1HE2 GLN 34 2HE2 GLN 34 1.834 -4.228 -16.331
110 2HE2 GLN 34 1HE2 GLN 34 2.954 -3.018 -16.729
111 H ARG 35 H ARG 35 2.453 -6.589 -13.320
112 HA ARG 35 HA ARG 35 4.200 -6.569 -15.728
113 1HB ARG 35 1HB ARG 35 4.675 -5.387 -13.411
114 2HB ARG 35 2HB ARG 35 5.203 -6.969 -12.897
115 1HG ARG 35 1HG ARG 35 7.158 -6.834 -14.108
116 2HG ARG 35 2HG ARG 35 6.351 -6.204 -15.525
117 1HD ARG 35 1HD ARG 35 6.146 -3.973 -14.213
118 2HD ARG 35 2HD ARG 35 7.329 -4.629 -13.111
119 HE ARG 35 HE ARG 35 7.699 -4.129 -16.049
120 1HH1 ARG 35 1HH1 ARG 35 9.101 -4.679 -12.924
121 2HH1 ARG 35 2HH1 ARG 35 10.693 -4.294 -13.415
122 1HH2 ARG 35 1HH2 ARG 35 9.762 -3.638 -16.735
123 2HH2 ARG 35 2HH2 ARG 35 11.073 -3.688 -15.645
124 H TYR 36 H TYR 36 3.285 -8.889 -13.081
125 HA TYR 36 HA TYR 36 4.875 -10.899 -14.539
126 1HB TYR 36 1HB TYR 36 3.537 -10.639 -11.817
127 2HB TYR 36 2HB TYR 36 3.673 -12.211 -12.523
128 HD1 TYR 36 HD1 TYR 36 5.951 -13.201 -12.911
129 HD2 TYR 36 HD2 TYR 36 5.483 -9.326 -11.221
130 HE1 TYR 36 HE1 TYR 36 8.302 -13.211 -12.222
131 HE2 TYR 36 HE2 TYR 36 7.821 -9.328 -10.537
132 HH TYR 36 HH TYR 36 9.558 -11.015 -10.026
133 1HN NH2 37 1HN NH2 37 2.110 -9.350 -15.030
134 2HN NH2 37 2HN NH2 37 1.133 -10.582 -15.641
Start of MODEL 11
1 1H ACE 23 1HA ACE 23 -2.010 0.432 1.121
2 2H ACE 23 2HA ACE 23 -3.180 1.031 -0.057
3 3H ACE 23 3HA ACE 23 -2.020 2.141 0.666
4 H LEU 24 H LEU 24 0.349 0.819 0.423
5 HA LEU 24 HA LEU 24 0.982 1.169 -2.325
6 1HB LEU 24 1HB LEU 24 2.488 1.470 -0.251
7 2HB LEU 24 2HB LEU 24 2.554 -0.266 -0.126
8 HG LEU 24 HG LEU 24 3.495 -0.115 -2.639
9 1HD1 LEU 24 1HD1 LEU 24 4.068 2.701 -1.570
10 2HD1 LEU 24 2HD1 LEU 24 4.716 2.001 -3.038
11 3HD1 LEU 24 3HD1 LEU 24 3.003 2.323 -2.915
12 1HD2 LEU 24 1HD2 LEU 24 4.799 -0.854 -0.646
13 2HD2 LEU 24 2HD2 LEU 24 5.770 0.126 -1.729
14 3HD2 LEU 24 3HD2 LEU 24 5.133 0.823 -0.249
15 H ARG 25 H ARG 25 -0.437 -1.292 -0.889
16 HA ARG 25 HA ARG 25 0.678 -3.499 -2.457
17 1HB ARG 25 1HB ARG 25 -1.485 -3.188 -0.416
18 2HB ARG 25 2HB ARG 25 -2.016 -4.222 -1.711
19 1HG ARG 25 1HG ARG 25 -0.957 -5.664 -0.178
20 2HG ARG 25 2HG ARG 25 0.121 -5.525 -1.541
21 1HD ARG 25 1HD ARG 25 1.732 -4.786 -0.198
22 2HD ARG 25 2HD ARG 25 0.816 -3.336 0.199
23 HE ARG 25 HE ARG 25 -0.432 -4.884 1.853
24 1HH1 ARG 25 1HH1 ARG 25 2.936 -5.106 1.077
25 2HH1 ARG 25 2HH1 ARG 25 3.400 -5.823 2.550
26 1HH2 ARG 25 1HH2 ARG 25 0.121 -5.825 3.842
27 2HH2 ARG 25 2HH2 ARG 25 1.742 -6.239 4.182
28 H HIS 26 H HIS 26 -1.742 -1.040 -2.746
29 HA HIS 26 HA HIS 26 -2.999 -2.129 -5.054
30 1HB HIS 26 1HB HIS 26 -3.700 -0.100 -3.473
31 2HB HIS 26 2HB HIS 26 -2.811 0.858 -4.654
32 HD1 HIS 26 HD1 HIS 26 -3.925 1.097 -6.948
33 HD2 HIS 26 HD2 HIS 26 -5.807 -1.619 -4.432
34 HE1 HIS 26 HE1 HIS 26 -6.102 0.407 -7.974
35 H TYR 27 H TYR 27 0.092 -1.101 -4.592
36 HA TYR 27 HA TYR 27 0.512 -0.551 -7.454
37 1HB TYR 27 1HB TYR 27 0.693 1.350 -5.712
38 2HB TYR 27 2HB TYR 27 2.147 0.525 -5.165
39 HD1 TYR 27 HD1 TYR 27 0.568 2.249 -8.036
40 HD2 TYR 27 HD2 TYR 27 4.192 0.676 -6.446
41 HE1 TYR 27 HE1 TYR 27 1.824 3.364 -9.793
42 HE2 TYR 27 HE2 TYR 27 5.448 1.789 -8.200
43 HH TYR 27 HH TYR 27 4.963 3.983 -9.685
44 H LEU 28 H LEU 28 1.617 -2.305 -4.677
45 HA LEU 28 HA LEU 28 3.989 -3.272 -6.090
46 1HB LEU 28 1HB LEU 28 3.364 -2.679 -3.485
47 2HB LEU 28 2HB LEU 28 3.037 -4.364 -3.488
48 HG LEU 28 HG LEU 28 5.659 -3.664 -4.810
49 1HD1 LEU 28 1HD1 LEU 28 5.294 -3.097 -1.838
50 2HD1 LEU 28 2HD1 LEU 28 6.835 -3.164 -2.676
51 3HD1 LEU 28 3HD1 LEU 28 5.678 -1.918 -3.084
52 1HD2 LEU 28 1HD2 LEU 28 4.944 -5.596 -2.561
53 2HD2 LEU 28 2HD2 LEU 28 5.045 -5.993 -4.271
54 3HD2 LEU 28 3HD2 LEU 28 6.489 -5.524 -3.391
55 H ASN 29 H ASN 29 0.830 -4.120 -4.945
56 HA ASN 29 HA ASN 29 1.108 -6.853 -5.968
57 1HB ASN 29 1HB ASN 29 0.017 -6.254 -3.818
58 2HB ASN 29 2HB ASN 29 -1.295 -5.544 -4.737
59 1HD2 ASN 29 2HD2 ASN 29 -2.434 -6.995 -6.289
60 2HD2 ASN 29 1HD2 ASN 29 -2.540 -8.653 -5.905
61 H LEU 30 H LEU 30 -0.807 -3.929 -6.659
62 HA LEU 30 HA LEU 30 -2.357 -5.173 -8.758
63 1HB LEU 30 1HB LEU 30 -2.844 -3.022 -7.559
64 2HB LEU 30 2HB LEU 30 -1.468 -2.336 -8.374
65 HG LEU 30 HG LEU 30 -3.698 -3.547 -10.055
66 1HD1 LEU 30 1HD1 LEU 30 -3.726 -0.806 -8.724
67 2HD1 LEU 30 2HD1 LEU 30 -4.857 -1.299 -9.976
68 3HD1 LEU 30 3HD1 LEU 30 -4.864 -2.102 -8.418
69 1HD2 LEU 30 1HD2 LEU 30 -1.471 -1.537 -10.433
70 2HD2 LEU 30 2HD2 LEU 30 -2.082 -2.747 -11.545
71 3HD2 LEU 30 3HD2 LEU 30 -2.950 -1.247 -11.326
72 H LEU 31 H LEU 31 0.790 -3.998 -8.466
73 HA LEU 31 HA LEU 31 1.304 -3.788 -11.355
74 1HB LEU 31 1HB LEU 31 2.324 -2.349 -9.638
75 2HB LEU 31 2HB LEU 31 3.163 -3.717 -8.954
76 HG LEU 31 HG LEU 31 3.697 -3.575 -11.840
77 1HD1 LEU 31 1HD1 LEU 31 4.207 -1.028 -10.251
78 2HD1 LEU 31 2HD1 LEU 31 4.804 -1.359 -11.873
79 3HD1 LEU 31 3HD1 LEU 31 3.083 -1.201 -11.588
80 1HD2 LEU 31 1HD2 LEU 31 5.283 -3.406 -9.256
81 2HD2 LEU 31 2HD2 LEU 31 5.303 -4.669 -10.472
82 3HD2 LEU 31 3HD2 LEU 31 6.083 -3.127 -10.787
83 H THR 32 H THR 32 1.491 -6.353 -8.963
84 HA THR 32 HA THR 32 3.425 -7.790 -10.629
85 HB THR 32 HB THR 32 2.946 -8.113 -8.117
86 HG1 THR 32 HG1 THR 32 4.064 -9.840 -8.711
87 1HG2 THR 32 1HG2 THR 32 0.295 -8.677 -8.762
88 2HG2 THR 32 2HG2 THR 32 0.988 -10.284 -8.812
89 3HG2 THR 32 3HG2 THR 32 1.097 -9.315 -7.354
90 H ARG 33 H ARG 33 -0.004 -7.352 -10.323
91 HA ARG 33 HA ARG 33 -0.879 -9.421 -12.096
92 1HB ARG 33 1HB ARG 33 -2.104 -6.767 -11.257
93 2HB ARG 33 2HB ARG 33 -2.960 -7.978 -12.181
94 1HG ARG 33 1HG ARG 33 -1.739 -9.357 -9.947
95 2HG ARG 33 2HG ARG 33 -2.381 -7.874 -9.287
96 1HD ARG 33 1HD ARG 33 -4.420 -9.032 -11.036
97 2HD ARG 33 2HD ARG 33 -3.753 -10.299 -10.062
98 HE ARG 33 HE ARG 33 -4.269 -9.111 -8.052
99 1HH1 ARG 33 1HH1 ARG 33 -5.622 -7.756 -10.908
100 2HH1 ARG 33 2HH1 ARG 33 -6.921 -6.957 -10.137
101 1HH2 ARG 33 1HH2 ARG 33 -5.893 -8.060 -6.937
102 2HH2 ARG 33 2HH2 ARG 33 -7.047 -7.093 -7.754
103 H GLN 34 H GLN 34 0.469 -6.328 -12.623
104 HA GLN 34 HA GLN 34 -0.224 -6.451 -15.531
105 1HB GLN 34 1HB GLN 34 -0.172 -4.161 -15.549
106 2HB GLN 34 2HB GLN 34 -0.773 -4.489 -13.937
107 1HG GLN 34 1HG GLN 34 0.825 -2.992 -13.262
108 2HG GLN 34 2HG GLN 34 1.914 -4.361 -13.374
109 1HE2 GLN 34 2HE2 GLN 34 0.473 -2.166 -15.867
110 2HE2 GLN 34 1HE2 GLN 34 1.968 -1.826 -16.571
111 H ARG 35 H ARG 35 2.467 -6.503 -13.342
112 HA ARG 35 HA ARG 35 4.352 -6.380 -15.614
113 1HB ARG 35 1HB ARG 35 4.379 -5.113 -13.206
114 2HB ARG 35 2HB ARG 35 5.244 -6.539 -12.744
115 1HG ARG 35 1HG ARG 35 7.167 -5.758 -13.795
116 2HG ARG 35 2HG ARG 35 6.305 -5.452 -15.284
117 1HD ARG 35 1HD ARG 35 5.320 -3.324 -13.934
118 2HD ARG 35 2HD ARG 35 6.690 -3.632 -12.919
119 HE ARG 35 HE ARG 35 8.196 -3.088 -14.653
120 1HH1 ARG 35 1HH1 ARG 35 4.903 -2.928 -15.642
121 2HH1 ARG 35 2HH1 ARG 35 5.169 -1.932 -17.000
122 1HH2 ARG 35 1HH2 ARG 35 8.668 -1.813 -16.456
123 2HH2 ARG 35 2HH2 ARG 35 7.415 -1.296 -17.494
124 H TYR 36 H TYR 36 3.460 -8.681 -12.987
125 HA TYR 36 HA TYR 36 5.465 -10.558 -14.027
126 1HB TYR 36 1HB TYR 36 3.535 -10.382 -11.675
127 2HB TYR 36 2HB TYR 36 3.998 -11.942 -12.249
128 HD1 TYR 36 HD1 TYR 36 5.959 -8.760 -11.930
129 HD2 TYR 36 HD2 TYR 36 5.537 -12.797 -10.652
130 HE1 TYR 36 HE1 TYR 36 8.002 -8.552 -10.608
131 HE2 TYR 36 HE2 TYR 36 7.586 -12.581 -9.329
132 HH TYR 36 HH TYR 36 9.789 -10.186 -9.731
133 1HN NH2 37 1HN NH2 37 2.318 -9.438 -14.563
134 2HN NH2 37 2HN NH2 37 1.743 -10.706 -15.522
Start of MODEL 12
1 1H ACE 23 1HA ACE 23 -2.228 0.022 1.251
2 2H ACE 23 2HA ACE 23 -3.417 0.649 0.106
3 3H ACE 23 3HA ACE 23 -2.281 1.751 0.878
4 H LEU 24 H LEU 24 0.127 0.545 0.559
5 HA LEU 24 HA LEU 24 0.761 1.052 -2.138
6 1HB LEU 24 1HB LEU 24 2.360 1.338 -0.264
7 2HB LEU 24 2HB LEU 24 2.247 -0.353 0.154
8 HG LEU 24 HG LEU 24 3.414 -0.996 -1.923
9 1HD1 LEU 24 1HD1 LEU 24 2.978 1.913 -2.582
10 2HD1 LEU 24 2HD1 LEU 24 4.495 1.208 -3.104
11 3HD1 LEU 24 3HD1 LEU 24 2.977 0.505 -3.632
12 1HD2 LEU 24 1HD2 LEU 24 4.811 1.232 -0.386
13 2HD2 LEU 24 2HD2 LEU 24 4.752 -0.456 0.083
14 3HD2 LEU 24 3HD2 LEU 24 5.613 0.017 -1.367
15 H ARG 25 H ARG 25 -0.648 -1.516 -0.893
16 HA ARG 25 HA ARG 25 0.526 -3.594 -2.583
17 1HB ARG 25 1HB ARG 25 -1.762 -3.470 -0.639
18 2HB ARG 25 2HB ARG 25 -2.139 -4.452 -2.024
19 1HG ARG 25 1HG ARG 25 -1.132 -5.914 -0.469
20 2HG ARG 25 2HG ARG 25 -0.013 -5.698 -1.790
21 1HD ARG 25 1HD ARG 25 1.544 -5.013 -0.315
22 2HD ARG 25 2HD ARG 25 0.610 -3.576 0.031
23 HE ARG 25 HE ARG 25 -0.722 -4.939 1.644
24 1HH1 ARG 25 1HH1 ARG 25 2.549 -5.790 0.856
25 2HH1 ARG 25 2HH1 ARG 25 2.864 -6.591 2.321
26 1HH2 ARG 25 1HH2 ARG 25 -0.354 -6.004 3.622
27 2HH2 ARG 25 2HH2 ARG 25 1.162 -6.721 3.940
28 H HIS 26 H HIS 26 -2.076 -1.240 -2.755
29 HA HIS 26 HA HIS 26 -3.162 -2.249 -5.142
30 1HB HIS 26 1HB HIS 26 -4.079 -0.300 -3.617
31 2HB HIS 26 2HB HIS 26 -3.108 0.748 -4.648
32 HD1 HIS 26 HD1 HIS 26 -3.904 0.961 -7.103
33 HD2 HIS 26 HD2 HIS 26 -6.039 -1.804 -4.861
34 HE1 HIS 26 HE1 HIS 26 -5.910 0.238 -8.406
35 H TYR 27 H TYR 27 -0.144 -0.946 -4.628
36 HA TYR 27 HA TYR 27 0.185 -0.377 -7.530
37 1HB TYR 27 1HB TYR 27 0.316 1.715 -6.301
38 2HB TYR 27 2HB TYR 27 1.353 0.990 -5.085
39 HD1 TYR 27 HD1 TYR 27 1.596 0.969 -8.846
40 HD2 TYR 27 HD2 TYR 27 3.404 2.138 -5.167
41 HE1 TYR 27 HE1 TYR 27 3.570 1.732 -10.055
42 HE2 TYR 27 HE2 TYR 27 5.382 2.900 -6.394
43 HH TYR 27 HH TYR 27 5.850 2.260 -9.736
44 H LEU 28 H LEU 28 1.536 -2.081 -4.799
45 HA LEU 28 HA LEU 28 3.928 -2.806 -6.308
46 1HB LEU 28 1HB LEU 28 3.344 -2.344 -3.680
47 2HB LEU 28 2HB LEU 28 3.165 -4.050 -3.718
48 HG LEU 28 HG LEU 28 5.662 -2.509 -4.679
49 1HD1 LEU 28 1HD1 LEU 28 5.138 -4.085 -2.125
50 2HD1 LEU 28 2HD1 LEU 28 6.752 -3.661 -2.664
51 3HD1 LEU 28 3HD1 LEU 28 5.603 -2.398 -2.269
52 1HD2 LEU 28 1HD2 LEU 28 5.123 -5.521 -4.489
53 2HD2 LEU 28 2HD2 LEU 28 5.469 -4.612 -5.947
54 3HD2 LEU 28 3HD2 LEU 28 6.718 -4.837 -4.744
55 H ASN 29 H ASN 29 0.875 -3.952 -5.125
56 HA ASN 29 HA ASN 29 1.409 -6.666 -6.085
57 1HB ASN 29 1HB ASN 29 0.008 -6.131 -4.095
58 2HB ASN 29 2HB ASN 29 -1.194 -5.455 -5.185
59 1HD2 ASN 29 2HD2 ASN 29 -2.109 -6.866 -6.841
60 2HD2 ASN 29 1HD2 ASN 29 -2.144 -8.548 -6.600
61 H LEU 30 H LEU 30 -0.423 -3.798 -6.998
62 HA LEU 30 HA LEU 30 -1.732 -4.971 -9.263
63 1HB LEU 30 1HB LEU 30 -2.296 -2.807 -8.187
64 2HB LEU 30 2HB LEU 30 -0.782 -2.141 -8.701
65 HG LEU 30 HG LEU 30 -2.945 -1.539 -10.042
66 1HD1 LEU 30 1HD1 LEU 30 -0.341 -1.352 -10.744
67 2HD1 LEU 30 2HD1 LEU 30 -0.866 -2.479 -11.982
68 3HD1 LEU 30 3HD1 LEU 30 -1.640 -0.914 -11.835
69 1HD2 LEU 30 1HD2 LEU 30 -3.660 -3.978 -10.291
70 2HD2 LEU 30 2HD2 LEU 30 -3.705 -3.016 -11.756
71 3HD2 LEU 30 3HD2 LEU 30 -2.392 -4.152 -11.498
72 H LEU 31 H LEU 31 1.434 -3.839 -8.551
73 HA LEU 31 HA LEU 31 2.416 -3.687 -11.250
74 1HB LEU 31 1HB LEU 31 3.449 -3.081 -8.658
75 2HB LEU 31 2HB LEU 31 4.370 -4.469 -9.089
76 HG LEU 31 HG LEU 31 5.486 -2.328 -9.682
77 1HD1 LEU 31 1HD1 LEU 31 5.884 -4.448 -11.014
78 2HD1 LEU 31 2HD1 LEU 31 4.698 -3.874 -12.176
79 3HD1 LEU 31 3HD1 LEU 31 6.183 -2.977 -11.924
80 1HD2 LEU 31 1HD2 LEU 31 3.206 -1.194 -10.291
81 2HD2 LEU 31 2HD2 LEU 31 4.628 -0.768 -11.224
82 3HD2 LEU 31 3HD2 LEU 31 3.452 -1.873 -11.893
83 H THR 32 H THR 32 2.256 -6.233 -8.861
84 HA THR 32 HA THR 32 3.687 -8.035 -10.704
85 HB THR 32 HB THR 32 3.540 -8.133 -8.093
86 HG1 THR 32 HG1 THR 32 4.438 -10.039 -8.494
87 1HG2 THR 32 1HG2 THR 32 0.820 -8.715 -8.404
88 2HG2 THR 32 2HG2 THR 32 1.511 -10.324 -8.446
89 3HG2 THR 32 3HG2 THR 32 1.768 -9.285 -7.055
90 H ARG 33 H ARG 33 0.346 -7.168 -9.978
91 HA ARG 33 HA ARG 33 -0.733 -9.339 -11.583
92 1HB ARG 33 1HB ARG 33 -2.005 -6.709 -10.621
93 2HB ARG 33 2HB ARG 33 -2.897 -7.959 -11.449
94 1HG ARG 33 1HG ARG 33 -1.384 -8.905 -9.044
95 2HG ARG 33 2HG ARG 33 -2.642 -7.763 -8.674
96 1HD ARG 33 1HD ARG 33 -3.135 -10.269 -10.381
97 2HD ARG 33 2HD ARG 33 -3.303 -10.245 -8.623
98 HE ARG 33 HE ARG 33 -4.676 -8.147 -10.139
99 1HH1 ARG 33 1HH1 ARG 33 -4.992 -11.169 -8.453
100 2HH1 ARG 33 2HH1 ARG 33 -6.686 -11.087 -8.274
101 1HH2 ARG 33 1HH2 ARG 33 -6.952 -7.998 -9.894
102 2HH2 ARG 33 2HH2 ARG 33 -7.825 -9.246 -9.115
103 H GLN 34 H GLN 34 0.558 -6.153 -12.272
104 HA GLN 34 HA GLN 34 -0.577 -6.304 -15.019
105 1HB GLN 34 1HB GLN 34 -0.236 -3.974 -15.124
106 2HB GLN 34 2HB GLN 34 -0.775 -4.266 -13.479
107 1HG GLN 34 1HG GLN 34 1.035 -3.063 -12.805
108 2HG GLN 34 2HG GLN 34 2.014 -4.447 -13.207
109 1HE2 GLN 34 2HE2 GLN 34 1.860 -4.259 -16.114
110 2HE2 GLN 34 1HE2 GLN 34 2.650 -2.813 -16.527
111 H ARG 35 H ARG 35 2.369 -6.603 -13.250
112 HA ARG 35 HA ARG 35 3.933 -6.565 -15.789
113 1HB ARG 35 1HB ARG 35 4.700 -5.278 -13.647
114 2HB ARG 35 2HB ARG 35 5.098 -6.846 -12.981
115 1HG ARG 35 1HG ARG 35 7.152 -6.140 -13.939
116 2HG ARG 35 2HG ARG 35 6.506 -7.242 -15.124
117 1HD ARG 35 1HD ARG 35 6.405 -5.557 -16.739
118 2HD ARG 35 2HD ARG 35 5.494 -4.552 -15.647
119 HE ARG 35 HE ARG 35 7.476 -3.630 -14.720
120 1HH1 ARG 35 1HH1 ARG 35 8.091 -5.807 -17.322
121 2HH1 ARG 35 2HH1 ARG 35 9.661 -5.219 -17.664
122 1HH2 ARG 35 1HH2 ARG 35 9.519 -2.827 -15.068
123 2HH2 ARG 35 2HH2 ARG 35 10.514 -3.468 -16.307
124 H TYR 36 H TYR 36 3.289 -8.829 -12.987
125 HA TYR 36 HA TYR 36 4.777 -10.875 -14.483
126 1HB TYR 36 1HB TYR 36 3.566 -10.521 -11.728
127 2HB TYR 36 2HB TYR 36 3.604 -12.130 -12.361
128 HD1 TYR 36 HD1 TYR 36 5.900 -13.070 -13.123
129 HD2 TYR 36 HD2 TYR 36 5.506 -9.418 -10.978
130 HE1 TYR 36 HE1 TYR 36 8.272 -13.144 -12.561
131 HE2 TYR 36 HE2 TYR 36 7.883 -9.486 -10.414
132 HH TYR 36 HH TYR 36 9.798 -12.216 -10.793
133 1HN NH2 37 1HN NH2 37 3.036 -10.053 -16.159
134 2HN NH2 37 2HN NH2 37 1.623 -11.000 -16.252
Start of MODEL 13
1 1H ACE 23 1HA ACE 23 -1.760 1.580 1.246
2 2H ACE 23 2HA ACE 23 -1.633 -0.152 1.576
3 3H ACE 23 3HA ACE 23 -2.969 0.474 0.607
4 H LEU 24 H LEU 24 0.599 0.539 0.588
5 HA LEU 24 HA LEU 24 0.920 1.086 -2.124
6 1HB LEU 24 1HB LEU 24 2.709 1.256 -0.349
7 2HB LEU 24 2HB LEU 24 2.731 -0.489 -0.218
8 HG LEU 24 HG LEU 24 3.611 -0.695 -2.520
9 1HD1 LEU 24 1HD1 LEU 24 3.018 2.280 -2.597
10 2HD1 LEU 24 2HD1 LEU 24 4.361 1.673 -3.542
11 3HD1 LEU 24 3HD1 LEU 24 2.745 1.061 -3.825
12 1HD2 LEU 24 1HD2 LEU 24 5.179 -0.295 -0.596
13 2HD2 LEU 24 2HD2 LEU 24 5.806 0.295 -2.123
14 3HD2 LEU 24 3HD2 LEU 24 5.138 1.423 -0.954
15 H ARG 25 H ARG 25 -0.258 -1.557 -0.799
16 HA ARG 25 HA ARG 25 0.716 -3.561 -2.693
17 1HB ARG 25 1HB ARG 25 -1.319 -3.525 -0.483
18 2HB ARG 25 2HB ARG 25 -1.868 -4.465 -1.844
19 1HG ARG 25 1HG ARG 25 -0.643 -5.955 -0.425
20 2HG ARG 25 2HG ARG 25 0.257 -5.724 -1.899
21 1HD ARG 25 1HD ARG 25 2.012 -5.107 -0.683
22 2HD ARG 25 2HD ARG 25 1.187 -3.618 -0.238
23 HE ARG 25 HE ARG 25 0.050 -5.047 1.566
24 1HH1 ARG 25 1HH1 ARG 25 3.307 -5.549 0.479
25 2HH1 ARG 25 2HH1 ARG 25 3.843 -6.292 1.917
26 1HH2 ARG 25 1HH2 ARG 25 0.719 -6.001 3.509
27 2HH2 ARG 25 2HH2 ARG 25 2.328 -6.540 3.691
28 H HIS 26 H HIS 26 -1.937 -1.300 -2.436
29 HA HIS 26 HA HIS 26 -3.458 -2.021 -4.604
30 1HB HIS 26 1HB HIS 26 -3.864 -0.027 -3.046
31 2HB HIS 26 2HB HIS 26 -2.752 0.885 -4.065
32 HD1 HIS 26 HD1 HIS 26 -3.619 1.476 -6.430
33 HD2 HIS 26 HD2 HIS 26 -6.168 -0.951 -4.234
34 HE1 HIS 26 HE1 HIS 26 -5.801 1.320 -7.622
35 H TYR 27 H TYR 27 -0.301 -0.722 -4.579
36 HA TYR 27 HA TYR 27 -0.286 -0.404 -7.544
37 1HB TYR 27 1HB TYR 27 0.201 1.726 -6.529
38 2HB TYR 27 2HB TYR 27 1.298 0.996 -5.365
39 HD1 TYR 27 HD1 TYR 27 0.835 1.806 -8.936
40 HD2 TYR 27 HD2 TYR 27 3.597 0.483 -5.974
41 HE1 TYR 27 HE1 TYR 27 2.673 2.055 -10.536
42 HE2 TYR 27 HE2 TYR 27 5.434 0.737 -7.587
43 HH TYR 27 HH TYR 27 5.314 2.464 -10.268
44 H LEU 28 H LEU 28 1.437 -2.047 -4.922
45 HA LEU 28 HA LEU 28 3.573 -2.905 -6.705
46 1HB LEU 28 1HB LEU 28 3.352 -2.420 -4.042
47 2HB LEU 28 2HB LEU 28 3.051 -4.112 -4.043
48 HG LEU 28 HG LEU 28 5.216 -4.341 -5.555
49 1HD1 LEU 28 1HD1 LEU 28 5.594 -1.527 -4.420
50 2HD1 LEU 28 2HD1 LEU 28 6.867 -2.457 -5.190
51 3HD1 LEU 28 3HD1 LEU 28 5.475 -1.950 -6.120
52 1HD2 LEU 28 1HD2 LEU 28 5.423 -3.501 -2.628
53 2HD2 LEU 28 2HD2 LEU 28 5.251 -5.133 -3.258
54 3HD2 LEU 28 3HD2 LEU 28 6.733 -4.242 -3.533
55 H ASN 29 H ASN 29 0.672 -3.915 -5.215
56 HA ASN 29 HA ASN 29 0.958 -6.665 -6.066
57 1HB ASN 29 1HB ASN 29 -0.472 -5.848 -4.104
58 2HB ASN 29 2HB ASN 29 -1.562 -5.156 -5.294
59 1HD2 ASN 29 2HD2 ASN 29 -2.484 -6.640 -6.881
60 2HD2 ASN 29 1HD2 ASN 29 -2.822 -8.234 -6.403
61 H LEU 30 H LEU 30 -0.690 -3.753 -7.114
62 HA LEU 30 HA LEU 30 -1.909 -4.856 -9.451
63 1HB LEU 30 1HB LEU 30 -2.474 -2.709 -8.423
64 2HB LEU 30 2HB LEU 30 -0.901 -2.071 -8.779
65 HG LEU 30 HG LEU 30 -2.641 -3.067 -11.080
66 1HD1 LEU 30 1HD1 LEU 30 -4.009 -1.462 -9.755
67 2HD1 LEU 30 2HD1 LEU 30 -2.725 -0.272 -9.852
68 3HD1 LEU 30 3HD1 LEU 30 -3.569 -0.781 -11.311
69 1HD2 LEU 30 1HD2 LEU 30 -0.160 -1.392 -10.744
70 2HD2 LEU 30 2HD2 LEU 30 -0.599 -2.492 -12.033
71 3HD2 LEU 30 3HD2 LEU 30 -1.263 -0.875 -12.011
72 H LEU 31 H LEU 31 1.244 -3.771 -8.587
73 HA LEU 31 HA LEU 31 2.278 -3.659 -11.321
74 1HB LEU 31 1HB LEU 31 3.335 -3.013 -8.726
75 2HB LEU 31 2HB LEU 31 4.345 -4.299 -9.285
76 HG LEU 31 HG LEU 31 5.243 -2.063 -9.899
77 1HD1 LEU 31 1HD1 LEU 31 5.654 -3.979 -11.433
78 2HD1 LEU 31 2HD1 LEU 31 4.260 -3.511 -12.392
79 3HD1 LEU 31 3HD1 LEU 31 5.637 -2.435 -12.275
80 1HD2 LEU 31 1HD2 LEU 31 2.923 -0.980 -10.076
81 2HD2 LEU 31 2HD2 LEU 31 4.112 -0.493 -11.269
82 3HD2 LEU 31 3HD2 LEU 31 2.841 -1.610 -11.713
83 H THR 32 H THR 32 2.164 -6.121 -8.804
84 HA THR 32 HA THR 32 3.682 -7.949 -10.520
85 HB THR 32 HB THR 32 3.240 -8.034 -7.903
86 HG1 THR 32 HG1 THR 32 4.391 -9.739 -8.380
87 1HG2 THR 32 1HG2 THR 32 0.617 -8.641 -8.491
88 2HG2 THR 32 2HG2 THR 32 1.312 -10.246 -8.614
89 3HG2 THR 32 3HG2 THR 32 1.437 -9.339 -7.113
90 H ARG 33 H ARG 33 0.299 -7.010 -10.160
91 HA ARG 33 HA ARG 33 -0.652 -9.180 -11.836
92 1HB ARG 33 1HB ARG 33 -1.952 -6.509 -11.075
93 2HB ARG 33 2HB ARG 33 -2.793 -7.803 -11.890
94 1HG ARG 33 1HG ARG 33 -1.383 -8.310 -9.255
95 2HG ARG 33 2HG ARG 33 -2.962 -7.584 -9.261
96 1HD ARG 33 1HD ARG 33 -4.004 -9.513 -10.047
97 2HD ARG 33 2HD ARG 33 -2.599 -10.095 -10.944
98 HE ARG 33 HE ARG 33 -1.578 -10.334 -8.560
99 1HH1 ARG 33 1HH1 ARG 33 -4.821 -11.052 -9.498
100 2HH1 ARG 33 2HH1 ARG 33 -5.118 -12.221 -8.284
101 1HH2 ARG 33 1HH2 ARG 33 -1.866 -11.893 -6.943
102 2HH2 ARG 33 2HH2 ARG 33 -3.350 -12.729 -6.781
103 H GLN 34 H GLN 34 0.695 -6.017 -12.459
104 HA GLN 34 HA GLN 34 -0.281 -6.153 -15.265
105 1HB GLN 34 1HB GLN 34 0.255 -3.856 -15.397
106 2HB GLN 34 2HB GLN 34 -0.185 -4.035 -13.725
107 1HG GLN 34 1HG GLN 34 1.790 -2.882 -13.403
108 2HG GLN 34 2HG GLN 34 2.448 -4.481 -13.370
109 1HE2 GLN 34 2HE2 GLN 34 1.764 -4.357 -16.521
110 2HE2 GLN 34 1HE2 GLN 34 3.148 -3.603 -17.122
111 H ARG 35 H ARG 35 2.610 -6.522 -13.384
112 HA ARG 35 HA ARG 35 4.202 -6.917 -15.846
113 1HB ARG 35 1HB ARG 35 4.709 -5.431 -13.634
114 2HB ARG 35 2HB ARG 35 5.389 -6.934 -13.076
115 1HG ARG 35 1HG ARG 35 7.157 -6.824 -14.618
116 2HG ARG 35 2HG ARG 35 6.183 -6.074 -15.862
117 1HD ARG 35 1HD ARG 35 6.619 -4.344 -13.484
118 2HD ARG 35 2HD ARG 35 8.086 -4.715 -14.319
119 HE ARG 35 HE ARG 35 5.647 -3.368 -15.450
120 1HH1 ARG 35 1HH1 ARG 35 8.996 -4.213 -15.760
121 2HH1 ARG 35 2HH1 ARG 35 9.337 -3.104 -17.020
122 1HH2 ARG 35 1HH2 ARG 35 6.012 -1.951 -17.139
123 2HH2 ARG 35 2HH2 ARG 35 7.553 -1.806 -17.880
124 H TYR 36 H TYR 36 3.428 -8.815 -12.797
125 HA TYR 36 HA TYR 36 4.867 -11.072 -14.007
126 1HB TYR 36 1HB TYR 36 3.639 -10.340 -11.334
127 2HB TYR 36 2HB TYR 36 3.581 -12.011 -11.778
128 HD1 TYR 36 HD1 TYR 36 5.859 -9.102 -11.447
129 HD2 TYR 36 HD2 TYR 36 5.562 -13.339 -11.614
130 HE1 TYR 36 HE1 TYR 36 8.195 -9.269 -10.821
131 HE2 TYR 36 HE2 TYR 36 7.912 -13.526 -10.990
132 HH TYR 36 HH TYR 36 10.080 -11.055 -11.146
133 1HN NH2 37 1HN NH2 37 3.004 -10.230 -15.729
134 2HN NH2 37 2HN NH2 37 1.634 -11.236 -15.740
Start of MODEL 14
1 1H ACE 23 1HA ACE 23 -2.260 0.397 0.763
2 2H ACE 23 2HA ACE 23 -3.037 1.337 -0.514
3 3H ACE 23 3HA ACE 23 -1.812 2.088 0.504
4 H LEU 24 H LEU 24 0.342 0.694 0.470
5 HA LEU 24 HA LEU 24 1.425 0.886 -2.085
6 1HB LEU 24 1HB LEU 24 2.643 0.864 0.169
7 2HB LEU 24 2HB LEU 24 2.325 -0.849 0.258
8 HG LEU 24 HG LEU 24 3.667 -0.954 -2.050
9 1HD1 LEU 24 1HD1 LEU 24 4.553 1.758 -0.929
10 2HD1 LEU 24 2HD1 LEU 24 5.343 0.897 -2.237
11 3HD1 LEU 24 3HD1 LEU 24 3.716 1.502 -2.453
12 1HD2 LEU 24 1HD2 LEU 24 5.013 -0.289 0.605
13 2HD2 LEU 24 2HD2 LEU 24 4.534 -1.888 0.061
14 3HD2 LEU 24 3HD2 LEU 24 5.817 -1.026 -0.769
15 H ARG 25 H ARG 25 -0.399 -1.448 -0.848
16 HA ARG 25 HA ARG 25 0.545 -3.606 -2.612
17 1HB ARG 25 1HB ARG 25 -1.607 -3.348 -0.523
18 2HB ARG 25 2HB ARG 25 -2.136 -4.299 -1.888
19 1HG ARG 25 1HG ARG 25 -1.153 -5.903 -0.586
20 2HG ARG 25 2HG ARG 25 0.085 -5.566 -1.760
21 1HD ARG 25 1HD ARG 25 1.477 -5.210 0.048
22 2HD ARG 25 2HD ARG 25 0.651 -3.655 0.133
23 HE ARG 25 HE ARG 25 -0.697 -5.951 1.411
24 1HH1 ARG 25 1HH1 ARG 25 1.269 -3.181 1.779
25 2HH1 ARG 25 2HH1 ARG 25 0.967 -2.942 3.450
26 1HH2 ARG 25 1HH2 ARG 25 -1.157 -5.772 3.616
27 2HH2 ARG 25 2HH2 ARG 25 -0.477 -4.506 4.544
28 H HIS 26 H HIS 26 -1.990 -1.163 -2.523
29 HA HIS 26 HA HIS 26 -3.398 -1.803 -4.793
30 1HB HIS 26 1HB HIS 26 -3.737 0.279 -3.275
31 2HB HIS 26 2HB HIS 26 -2.541 1.080 -4.288
32 HD1 HIS 26 HD1 HIS 26 -3.310 1.720 -6.644
33 HD2 HIS 26 HD2 HIS 26 -6.048 -0.607 -4.562
34 HE1 HIS 26 HE1 HIS 26 -5.458 1.655 -7.919
35 H TYR 27 H TYR 27 -0.156 -0.689 -4.543
36 HA TYR 27 HA TYR 27 0.037 -0.585 -7.521
37 1HB TYR 27 1HB TYR 27 0.591 1.639 -6.640
38 2HB TYR 27 2HB TYR 27 1.610 0.935 -5.381
39 HD1 TYR 27 HD1 TYR 27 1.232 1.139 -9.071
40 HD2 TYR 27 HD2 TYR 27 3.930 0.571 -5.828
41 HE1 TYR 27 HE1 TYR 27 3.117 1.094 -10.647
42 HE2 TYR 27 HE2 TYR 27 5.813 0.530 -7.409
43 HH TYR 27 HH TYR 27 5.921 1.674 -10.160
44 H LEU 28 H LEU 28 1.369 -2.219 -4.736
45 HA LEU 28 HA LEU 28 3.660 -3.193 -6.321
46 1HB LEU 28 1HB LEU 28 3.347 -2.677 -3.711
47 2HB LEU 28 2HB LEU 28 2.778 -4.304 -3.658
48 HG LEU 28 HG LEU 28 5.472 -3.611 -4.952
49 1HD1 LEU 28 1HD1 LEU 28 4.854 -4.123 -2.004
50 2HD1 LEU 28 2HD1 LEU 28 6.461 -4.290 -2.676
51 3HD1 LEU 28 3HD1 LEU 28 5.664 -2.729 -2.694
52 1HD2 LEU 28 1HD2 LEU 28 4.409 -6.160 -3.625
53 2HD2 LEU 28 2HD2 LEU 28 4.511 -5.900 -5.357
54 3HD2 LEU 28 3HD2 LEU 28 5.971 -5.976 -4.400
55 H ASN 29 H ASN 29 0.671 -4.056 -4.969
56 HA ASN 29 HA ASN 29 0.682 -6.811 -5.823
57 1HB ASN 29 1HB ASN 29 -0.594 -5.806 -3.846
58 2HB ASN 29 2HB ASN 29 -1.671 -5.082 -5.021
59 1HD2 ASN 29 2HD2 ASN 29 -2.666 -6.679 -6.599
60 2HD2 ASN 29 1HD2 ASN 29 -3.208 -8.126 -5.900
61 H LEU 30 H LEU 30 -0.671 -3.777 -6.938
62 HA LEU 30 HA LEU 30 -2.033 -4.918 -9.231
63 1HB LEU 30 1HB LEU 30 -2.606 -2.830 -8.107
64 2HB LEU 30 2HB LEU 30 -1.076 -2.147 -8.554
65 HG LEU 30 HG LEU 30 -2.924 -3.096 -10.765
66 1HD1 LEU 30 1HD1 LEU 30 -3.219 -0.604 -9.047
67 2HD1 LEU 30 2HD1 LEU 30 -3.633 -0.507 -10.747
68 3HD1 LEU 30 3HD1 LEU 30 -4.467 -1.640 -9.708
69 1HD2 LEU 30 1HD2 LEU 30 -0.420 -1.494 -10.550
70 2HD2 LEU 30 2HD2 LEU 30 -1.084 -2.354 -11.922
71 3HD2 LEU 30 3HD2 LEU 30 -1.623 -0.731 -11.566
72 H LEU 31 H LEU 31 1.194 -4.069 -8.435
73 HA LEU 31 HA LEU 31 2.052 -3.735 -11.238
74 1HB LEU 31 1HB LEU 31 3.241 -2.536 -9.470
75 2HB LEU 31 2HB LEU 31 3.579 -4.011 -8.608
76 HG LEU 31 HG LEU 31 4.661 -4.419 -11.238
77 1HD1 LEU 31 1HD1 LEU 31 5.134 -1.588 -10.232
78 2HD1 LEU 31 2HD1 LEU 31 6.053 -2.330 -11.514
79 3HD1 LEU 31 3HD1 LEU 31 4.340 -2.041 -11.725
80 1HD2 LEU 31 1HD2 LEU 31 5.535 -4.820 -8.709
81 2HD2 LEU 31 2HD2 LEU 31 6.634 -4.768 -10.066
82 3HD2 LEU 31 3HD2 LEU 31 6.426 -3.349 -9.046
83 H THR 32 H THR 32 2.416 -6.277 -8.746
84 HA THR 32 HA THR 32 3.808 -7.955 -10.660
85 HB THR 32 HB THR 32 3.632 -8.277 -8.116
86 HG1 THR 32 HG1 THR 32 4.209 -10.349 -8.565
87 1HG2 THR 32 1HG2 THR 32 0.905 -8.527 -8.356
88 2HG2 THR 32 2HG2 THR 32 1.335 -10.194 -8.712
89 3HG2 THR 32 3HG2 THR 32 1.774 -9.475 -7.173
90 H ARG 33 H ARG 33 0.486 -7.198 -10.052
91 HA ARG 33 HA ARG 33 -0.588 -9.337 -11.675
92 1HB ARG 33 1HB ARG 33 -1.648 -6.812 -10.401
93 2HB ARG 33 2HB ARG 33 -2.660 -7.652 -11.551
94 1HG ARG 33 1HG ARG 33 -1.449 -9.556 -9.628
95 2HG ARG 33 2HG ARG 33 -2.273 -8.295 -8.772
96 1HD ARG 33 1HD ARG 33 -3.450 -9.978 -11.011
97 2HD ARG 33 2HD ARG 33 -3.756 -10.252 -9.298
98 HE ARG 33 HE ARG 33 -4.517 -7.825 -9.251
99 1HH1 ARG 33 1HH1 ARG 33 -4.940 -9.850 -12.039
100 2HH1 ARG 33 2HH1 ARG 33 -6.260 -8.974 -12.666
101 1HH2 ARG 33 1HH2 ARG 33 -6.287 -6.673 -10.002
102 2HH2 ARG 33 2HH2 ARG 33 -7.073 -7.131 -11.446
103 H GLN 34 H GLN 34 0.659 -6.243 -12.409
104 HA GLN 34 HA GLN 34 -0.457 -6.419 -15.174
105 1HB GLN 34 1HB GLN 34 -0.308 -4.077 -15.252
106 2HB GLN 34 2HB GLN 34 -0.748 -4.404 -13.587
107 1HG GLN 34 1HG GLN 34 0.954 -2.953 -13.097
108 2HG GLN 34 2HG GLN 34 1.979 -4.358 -13.289
109 1HE2 GLN 34 2HE2 GLN 34 1.563 -4.313 -16.353
110 2HE2 GLN 34 1HE2 GLN 34 2.510 -2.989 -16.824
111 H ARG 35 H ARG 35 2.411 -6.573 -13.362
112 HA ARG 35 HA ARG 35 4.108 -6.461 -15.789
113 1HB ARG 35 1HB ARG 35 4.570 -5.174 -13.491
114 2HB ARG 35 2HB ARG 35 5.176 -6.719 -12.947
115 1HG ARG 35 1HG ARG 35 7.174 -6.135 -13.884
116 2HG ARG 35 2HG ARG 35 6.438 -6.477 -15.426
117 1HD ARG 35 1HD ARG 35 7.095 -4.249 -15.827
118 2HD ARG 35 2HD ARG 35 5.512 -3.967 -15.171
119 HE ARG 35 HE ARG 35 6.430 -3.504 -13.001
120 1HH1 ARG 35 1HH1 ARG 35 8.795 -3.796 -15.512
121 2HH1 ARG 35 2HH1 ARG 35 10.018 -2.949 -14.671
122 1HH2 ARG 35 2HH2 ARG 35 7.988 -2.386 -11.855
123 2HH2 ARG 35 1HH2 ARG 35 9.540 -2.120 -12.521
124 H TYR 36 H TYR 36 3.473 -8.769 -13.036
125 HA TYR 36 HA TYR 36 5.173 -10.696 -14.448
126 1HB TYR 36 1HB TYR 36 3.739 -10.486 -11.784
127 2HB TYR 36 2HB TYR 36 3.879 -12.073 -12.470
128 HD1 TYR 36 HD1 TYR 36 6.256 -12.853 -13.175
129 HD2 TYR 36 HD2 TYR 36 5.571 -9.404 -10.787
130 HE1 TYR 36 HE1 TYR 36 8.587 -12.877 -12.472
131 HE2 TYR 36 HE2 TYR 36 7.901 -9.414 -10.078
132 HH TYR 36 HH TYR 36 10.038 -12.049 -10.780
133 1HN NH2 37 1HN NH2 37 2.110 -9.414 -14.726
134 2HN NH2 37 2HN NH2 37 1.354 -10.688 -15.539
Start of MODEL 15
1 1H ACE 23 1HA ACE 23 -2.309 -1.120 1.223
2 2H ACE 23 2HA ACE 23 -3.186 0.219 0.486
3 3H ACE 23 3HA ACE 23 -1.825 0.547 1.552
4 H LEU 24 H LEU 24 0.317 -0.418 0.773
5 HA LEU 24 HA LEU 24 0.983 0.559 -1.736
6 1HB LEU 24 1HB LEU 24 2.483 0.120 0.299
7 2HB LEU 24 2HB LEU 24 2.388 -1.577 -0.091
8 HG LEU 24 HG LEU 24 3.248 -0.491 -2.538
9 1HD1 LEU 24 1HD1 LEU 24 3.391 1.779 -1.347
10 2HD1 LEU 24 2HD1 LEU 24 4.723 1.111 -0.419
11 3HD1 LEU 24 3HD1 LEU 24 4.842 1.238 -2.164
12 1HD2 LEU 24 1HD2 LEU 24 4.950 -1.365 -0.176
13 2HD2 LEU 24 2HD2 LEU 24 4.248 -2.419 -1.397
14 3HD2 LEU 24 3HD2 LEU 24 5.503 -1.272 -1.841
15 H ARG 25 H ARG 25 -0.660 -2.063 -1.063
16 HA ARG 25 HA ARG 25 0.218 -3.937 -3.082
17 1HB ARG 25 1HB ARG 25 -2.644 -3.516 -2.026
18 2HB ARG 25 2HB ARG 25 -2.053 -4.998 -2.721
19 1HG ARG 25 1HG ARG 25 -1.282 -3.751 -0.043
20 2HG ARG 25 2HG ARG 25 -2.035 -5.299 -0.321
21 1HD ARG 25 1HD ARG 25 0.812 -4.567 -1.166
22 2HD ARG 25 2HD ARG 25 0.370 -5.556 0.198
23 HE ARG 25 HE ARG 25 -0.411 -6.240 -2.640
24 1HH1 ARG 25 1HH1 ARG 25 0.768 -7.311 0.443
25 2HH1 ARG 25 2HH1 ARG 25 0.852 -8.941 -0.042
26 1HH2 ARG 25 1HH2 ARG 25 -0.357 -8.344 -3.288
27 2HH2 ARG 25 2HH2 ARG 25 0.207 -9.542 -2.215
28 H HIS 26 H HIS 26 -2.093 -1.379 -2.809
29 HA HIS 26 HA HIS 26 -3.286 -1.336 -5.241
30 1HB HIS 26 1HB HIS 26 -3.525 0.350 -3.286
31 2HB HIS 26 2HB HIS 26 -2.257 1.267 -4.101
32 HD1 HIS 26 HD1 HIS 26 -2.895 2.275 -6.408
33 HD2 HIS 26 HD2 HIS 26 -5.856 -0.037 -4.655
34 HE1 HIS 26 HE1 HIS 26 -5.022 2.604 -7.668
35 H TYR 27 H TYR 27 0.026 -0.686 -4.615
36 HA TYR 27 HA TYR 27 0.417 0.050 -7.465
37 1HB TYR 27 1HB TYR 27 0.762 1.999 -6.022
38 2HB TYR 27 2HB TYR 27 1.725 1.049 -4.909
39 HD1 TYR 27 HD1 TYR 27 1.900 1.387 -8.637
40 HD2 TYR 27 HD2 TYR 27 3.874 1.934 -4.899
41 HE1 TYR 27 HE1 TYR 27 3.956 2.062 -9.812
42 HE2 TYR 27 HE2 TYR 27 5.914 2.606 -6.076
43 HH TYR 27 HH TYR 27 6.669 3.403 -8.174
44 H LEU 28 H LEU 28 1.671 -1.920 -4.966
45 HA LEU 28 HA LEU 28 3.935 -2.823 -6.573
46 1HB LEU 28 1HB LEU 28 3.590 -2.445 -3.917
47 2HB LEU 28 2HB LEU 28 3.052 -4.075 -3.998
48 HG LEU 28 HG LEU 28 5.265 -4.536 -5.411
49 1HD1 LEU 28 1HD1 LEU 28 5.818 -1.862 -4.071
50 2HD1 LEU 28 2HD1 LEU 28 7.130 -2.986 -4.378
51 3HD1 LEU 28 3HD1 LEU 28 6.173 -2.372 -5.709
52 1HD2 LEU 28 1HD2 LEU 28 4.779 -5.491 -3.151
53 2HD2 LEU 28 2HD2 LEU 28 6.475 -5.099 -3.343
54 3HD2 LEU 28 3HD2 LEU 28 5.437 -4.045 -2.397
55 H ASN 29 H ASN 29 0.877 -3.703 -5.286
56 HA ASN 29 HA ASN 29 1.034 -6.410 -6.371
57 1HB ASN 29 1HB ASN 29 -0.167 -5.771 -4.294
58 2HB ASN 29 2HB ASN 29 -1.369 -4.948 -5.273
59 1HD2 ASN 29 2HD2 ASN 29 -2.428 -6.253 -6.990
60 2HD2 ASN 29 1HD2 ASN 29 -2.725 -7.883 -6.659
61 H LEU 30 H LEU 30 -0.575 -3.357 -7.078
62 HA LEU 30 HA LEU 30 -2.112 -4.248 -9.312
63 1HB LEU 30 1HB LEU 30 -2.347 -2.086 -8.173
64 2HB LEU 30 2HB LEU 30 -0.770 -1.603 -8.705
65 HG LEU 30 HG LEU 30 -2.791 -2.370 -10.842
66 1HD1 LEU 30 1HD1 LEU 30 -2.698 0.283 -9.346
67 2HD1 LEU 30 2HD1 LEU 30 -3.559 0.050 -10.854
68 3HD1 LEU 30 3HD1 LEU 30 -4.066 -0.807 -9.411
69 1HD2 LEU 30 1HD2 LEU 30 -0.318 -0.623 -10.650
70 2HD2 LEU 30 2HD2 LEU 30 -0.726 -1.834 -11.851
71 3HD2 LEU 30 3HD2 LEU 30 -1.505 -0.276 -11.890
72 H LEU 31 H LEU 31 1.172 -3.594 -8.742
73 HA LEU 31 HA LEU 31 1.974 -3.653 -11.565
74 1HB LEU 31 1HB LEU 31 3.137 -2.849 -8.999
75 2HB LEU 31 2HB LEU 31 4.256 -3.890 -9.772
76 HG LEU 31 HG LEU 31 4.698 -1.576 -10.478
77 1HD1 LEU 31 1HD1 LEU 31 4.605 -3.598 -12.247
78 2HD1 LEU 31 2HD1 LEU 31 3.285 -2.669 -12.935
79 3HD1 LEU 31 3HD1 LEU 31 4.875 -1.955 -12.796
80 1HD2 LEU 31 1HD2 LEU 31 1.717 -1.544 -11.136
81 2HD2 LEU 31 2HD2 LEU 31 2.605 -0.495 -10.052
82 3HD2 LEU 31 3HD2 LEU 31 2.828 -0.355 -11.785
83 H THR 32 H THR 32 2.337 -5.829 -8.807
84 HA THR 32 HA THR 32 3.806 -7.681 -10.506
85 HB THR 32 HB THR 32 3.805 -7.541 -7.959
86 HG1 THR 32 HG1 THR 32 4.698 -9.433 -8.304
87 1HG2 THR 32 1HG2 THR 32 1.090 -7.952 -7.933
88 2HG2 THR 32 2HG2 THR 32 1.604 -9.622 -7.983
89 3HG2 THR 32 3HG2 THR 32 2.116 -8.591 -6.658
90 H ARG 33 H ARG 33 0.420 -7.017 -9.918
91 HA ARG 33 HA ARG 33 -0.472 -9.465 -11.276
92 1HB ARG 33 1HB ARG 33 -2.677 -8.777 -10.768
93 2HB ARG 33 2HB ARG 33 -1.723 -8.236 -9.403
94 1HG ARG 33 1HG ARG 33 -2.728 -6.258 -9.640
95 2HG ARG 33 2HG ARG 33 -1.670 -5.994 -11.007
96 1HD ARG 33 1HD ARG 33 -3.418 -6.698 -12.589
97 2HD ARG 33 2HD ARG 33 -4.412 -7.313 -11.274
98 HE ARG 33 HE ARG 33 -3.646 -4.429 -11.445
99 1HH1 ARG 33 1HH1 ARG 33 -6.182 -6.804 -11.242
100 2HH1 ARG 33 2HH1 ARG 33 -7.428 -5.672 -10.929
101 1HH2 ARG 33 1HH2 ARG 33 -5.204 -2.935 -11.085
102 2HH2 ARG 33 2HH2 ARG 33 -6.856 -3.371 -10.882
103 H GLN 34 H GLN 34 0.706 -6.509 -12.374
104 HA GLN 34 HA GLN 34 -0.686 -6.850 -14.996
105 1HB GLN 34 1HB GLN 34 -0.648 -4.554 -15.200
106 2HB GLN 34 2HB GLN 34 -0.941 -4.782 -13.488
107 1HG GLN 34 1HG GLN 34 0.719 -3.219 -13.251
108 2HG GLN 34 2HG GLN 34 1.769 -4.616 -13.396
109 1HE2 GLN 34 2HE2 GLN 34 -0.019 -2.560 -15.770
110 2HE2 GLN 34 1HE2 GLN 34 1.344 -2.370 -16.760
111 H ARG 35 H ARG 35 2.314 -6.739 -13.287
112 HA ARG 35 HA ARG 35 3.833 -6.923 -15.820
113 1HB ARG 35 1HB ARG 35 4.363 -5.320 -13.725
114 2HB ARG 35 2HB ARG 35 5.122 -6.752 -13.075
115 1HG ARG 35 1HG ARG 35 6.831 -5.485 -14.299
116 2HG ARG 35 2HG ARG 35 6.472 -6.915 -15.240
117 1HD ARG 35 1HD ARG 35 5.654 -5.679 -16.999
118 2HD ARG 35 2HD ARG 35 4.631 -4.731 -15.963
119 HE ARG 35 HE ARG 35 6.522 -3.317 -15.369
120 1HH1 ARG 35 1HH1 ARG 35 6.802 -5.211 -18.243
121 2HH1 ARG 35 2HH1 ARG 35 7.955 -4.203 -18.998
122 1HH2 ARG 35 1HH2 ARG 35 8.022 -1.958 -16.264
123 2HH2 ARG 35 2HH2 ARG 35 8.678 -2.273 -17.811
124 H TYR 36 H TYR 36 3.492 -8.859 -12.717
125 HA TYR 36 HA TYR 36 5.185 -10.895 -13.949
126 1HB TYR 36 1HB TYR 36 3.867 -10.372 -11.284
127 2HB TYR 36 2HB TYR 36 3.983 -12.037 -11.740
128 HD1 TYR 36 HD1 TYR 36 5.858 -8.976 -11.023
129 HD2 TYR 36 HD2 TYR 36 6.190 -13.114 -11.940
130 HE1 TYR 36 HE1 TYR 36 8.211 -8.915 -10.394
131 HE2 TYR 36 HE2 TYR 36 8.541 -13.065 -11.314
132 HH TYR 36 HH TYR 36 10.097 -11.757 -9.992
133 1HN NH2 37 1HN NH2 37 3.387 -10.508 -15.785
134 2HN NH2 37 2HN NH2 37 2.125 -11.650 -15.774
Start of MODEL 16
1 1H ACE 23 1HA ACE 23 -1.837 0.806 1.176
2 2H ACE 23 2HA ACE 23 -3.072 0.248 0.045
3 3H ACE 23 3HA ACE 23 -2.528 1.923 -0.001
4 H LEU 24 H LEU 24 0.244 0.380 0.571
5 HA LEU 24 HA LEU 24 1.276 0.732 -2.011
6 1HB LEU 24 1HB LEU 24 2.574 0.674 0.148
7 2HB LEU 24 2HB LEU 24 2.285 -1.053 0.233
8 HG LEU 24 HG LEU 24 3.753 -1.484 -1.647
9 1HD1 LEU 24 1HD1 LEU 24 3.495 1.503 -2.209
10 2HD1 LEU 24 2HD1 LEU 24 4.823 0.572 -2.869
11 3HD1 LEU 24 3HD1 LEU 24 3.176 0.163 -3.301
12 1HD2 LEU 24 1HD2 LEU 24 4.819 -0.655 0.593
13 2HD2 LEU 24 2HD2 LEU 24 5.844 -0.664 -0.829
14 3HD2 LEU 24 3HD2 LEU 24 5.142 0.843 -0.262
15 H ARG 25 H ARG 25 -0.633 -1.574 -0.964
16 HA ARG 25 HA ARG 25 0.344 -3.743 -2.689
17 1HB ARG 25 1HB ARG 25 -2.427 -3.344 -1.386
18 2HB ARG 25 2HB ARG 25 -1.881 -4.841 -2.098
19 1HG ARG 25 1HG ARG 25 -0.836 -3.461 0.420
20 2HG ARG 25 2HG ARG 25 -1.579 -5.036 0.305
21 1HD ARG 25 1HD ARG 25 1.142 -4.336 -0.940
22 2HD ARG 25 2HD ARG 25 0.882 -5.127 0.594
23 HE ARG 25 HE ARG 25 -0.380 -6.303 -1.867
24 1HH1 ARG 25 1HH1 ARG 25 1.930 -6.661 0.708
25 2HH1 ARG 25 2HH1 ARG 25 2.165 -8.324 0.414
26 1HH2 ARG 25 1HH2 ARG 25 -0.093 -8.438 -2.272
27 2HH2 ARG 25 2HH2 ARG 25 0.990 -9.362 -1.323
28 H HIS 26 H HIS 26 -2.251 -1.345 -2.648
29 HA HIS 26 HA HIS 26 -3.443 -1.838 -5.043
30 1HB HIS 26 1HB HIS 26 -3.869 0.150 -3.424
31 2HB HIS 26 2HB HIS 26 -2.664 1.015 -4.379
32 HD1 HIS 26 HD1 HIS 26 -3.361 1.623 -6.790
33 HD2 HIS 26 HD2 HIS 26 -6.127 -0.715 -4.761
34 HE1 HIS 26 HE1 HIS 26 -5.461 1.518 -8.123
35 H TYR 27 H TYR 27 -0.263 -0.560 -4.604
36 HA TYR 27 HA TYR 27 0.062 -0.303 -7.545
37 1HB TYR 27 1HB TYR 27 0.313 1.763 -6.146
38 2HB TYR 27 2HB TYR 27 1.565 0.980 -5.215
39 HD1 TYR 27 HD1 TYR 27 0.756 2.491 -8.472
40 HD2 TYR 27 HD2 TYR 27 3.833 0.796 -6.064
41 HE1 TYR 27 HE1 TYR 27 2.453 3.393 -9.990
42 HE2 TYR 27 HE2 TYR 27 5.517 1.696 -7.578
43 HH TYR 27 HH TYR 27 5.460 2.361 -10.170
44 H LEU 28 H LEU 28 1.561 -1.942 -4.850
45 HA LEU 28 HA LEU 28 3.746 -2.863 -6.579
46 1HB LEU 28 1HB LEU 28 3.641 -2.274 -3.982
47 2HB LEU 28 2HB LEU 28 3.160 -3.918 -3.848
48 HG LEU 28 HG LEU 28 5.229 -4.522 -5.358
49 1HD1 LEU 28 1HD1 LEU 28 5.809 -1.633 -4.586
50 2HD1 LEU 28 2HD1 LEU 28 7.112 -2.759 -4.916
51 3HD1 LEU 28 3HD1 LEU 28 5.942 -2.393 -6.163
52 1HD2 LEU 28 1HD2 LEU 28 5.077 -5.059 -2.929
53 2HD2 LEU 28 2HD2 LEU 28 6.714 -4.600 -3.355
54 3HD2 LEU 28 3HD2 LEU 28 5.670 -3.456 -2.525
55 H ASN 29 H ASN 29 0.897 -3.777 -5.015
56 HA ASN 29 HA ASN 29 1.125 -6.591 -5.716
57 1HB ASN 29 1HB ASN 29 -0.060 -5.591 -3.709
58 2HB ASN 29 2HB ASN 29 -1.318 -5.074 -4.819
59 1HD2 ASN 29 2HD2 ASN 29 -2.094 -6.906 -6.301
60 2HD2 ASN 29 1HD2 ASN 29 -2.530 -8.303 -5.469
61 H LEU 30 H LEU 30 -0.202 -3.759 -7.078
62 HA LEU 30 HA LEU 30 -1.744 -5.216 -9.096
63 1HB LEU 30 1HB LEU 30 -2.385 -3.098 -8.063
64 2HB LEU 30 2HB LEU 30 -0.962 -2.353 -8.656
65 HG LEU 30 HG LEU 30 -2.700 -3.648 -10.776
66 1HD1 LEU 30 1HD1 LEU 30 -3.503 -1.236 -9.125
67 2HD1 LEU 30 2HD1 LEU 30 -3.985 -1.354 -10.807
68 3HD1 LEU 30 3HD1 LEU 30 -4.486 -2.586 -9.673
69 1HD2 LEU 30 1HD2 LEU 30 -1.030 -1.084 -10.602
70 2HD2 LEU 30 2HD2 LEU 30 -0.679 -2.513 -11.559
71 3HD2 LEU 30 3HD2 LEU 30 -2.019 -1.476 -11.995
72 H LEU 31 H LEU 31 1.373 -3.897 -8.452
73 HA LEU 31 HA LEU 31 2.297 -3.659 -11.194
74 1HB LEU 31 1HB LEU 31 3.387 -3.159 -8.593
75 2HB LEU 31 2HB LEU 31 4.427 -4.378 -9.227
76 HG LEU 31 HG LEU 31 5.357 -2.212 -9.837
77 1HD1 LEU 31 1HD1 LEU 31 5.103 -4.055 -11.725
78 2HD1 LEU 31 2HD1 LEU 31 3.978 -2.916 -12.446
79 3HD1 LEU 31 3HD1 LEU 31 5.639 -2.446 -12.159
80 1HD2 LEU 31 1HD2 LEU 31 2.492 -1.510 -10.412
81 2HD2 LEU 31 2HD2 LEU 31 3.745 -0.569 -9.652
82 3HD2 LEU 31 3HD2 LEU 31 3.711 -0.724 -11.400
83 H THR 32 H THR 32 2.286 -6.231 -8.841
84 HA THR 32 HA THR 32 3.729 -8.014 -10.663
85 HB THR 32 HB THR 32 3.516 -8.176 -8.077
86 HG1 THR 32 HG1 THR 32 4.208 -10.177 -8.451
87 1HG2 THR 32 1HG2 THR 32 0.792 -8.456 -8.394
88 2HG2 THR 32 2HG2 THR 32 1.263 -10.130 -8.583
89 3HG2 THR 32 3HG2 THR 32 1.651 -9.271 -7.106
90 H ARG 33 H ARG 33 0.394 -7.134 -10.063
91 HA ARG 33 HA ARG 33 -0.689 -9.276 -11.695
92 1HB ARG 33 1HB ARG 33 -1.829 -6.744 -10.444
93 2HB ARG 33 2HB ARG 33 -2.783 -7.609 -11.620
94 1HG ARG 33 1HG ARG 33 -1.684 -9.462 -9.615
95 2HG ARG 33 2HG ARG 33 -2.546 -8.181 -8.818
96 1HD ARG 33 1HD ARG 33 -3.795 -9.616 -11.223
97 2HD ARG 33 2HD ARG 33 -3.819 -10.347 -9.616
98 HE ARG 33 HE ARG 33 -4.658 -7.535 -9.893
99 1HH1 ARG 33 1HH1 ARG 33 -5.604 -10.831 -9.418
100 2HH1 ARG 33 2HH1 ARG 33 -7.150 -10.467 -8.788
101 1HH2 ARG 33 1HH2 ARG 33 -6.708 -6.994 -9.109
102 2HH2 ARG 33 2HH2 ARG 33 -7.793 -8.204 -8.595
103 H GLN 34 H GLN 34 0.621 -6.123 -12.360
104 HA GLN 34 HA GLN 34 -0.547 -6.200 -15.091
105 1HB GLN 34 1HB GLN 34 -0.152 -3.883 -15.174
106 2HB GLN 34 2HB GLN 34 -0.494 -4.133 -13.482
107 1HG GLN 34 1HG GLN 34 1.413 -2.881 -13.195
108 2HG GLN 34 2HG GLN 34 2.213 -4.413 -13.324
109 1HE2 GLN 34 2HE2 GLN 34 1.398 -4.326 -16.387
110 2HE2 GLN 34 1HE2 GLN 34 2.579 -3.314 -17.046
111 H ARG 35 H ARG 35 2.477 -6.468 -13.357
112 HA ARG 35 HA ARG 35 3.902 -6.707 -15.928
113 1HB ARG 35 1HB ARG 35 4.490 -5.264 -13.650
114 2HB ARG 35 2HB ARG 35 5.310 -6.745 -13.271
115 1HG ARG 35 1HG ARG 35 6.878 -5.196 -14.400
116 2HG ARG 35 2HG ARG 35 6.538 -6.509 -15.515
117 1HD ARG 35 1HD ARG 35 5.032 -5.148 -16.828
118 2HD ARG 35 2HD ARG 35 4.861 -3.975 -15.542
119 HE ARG 35 HE ARG 35 7.412 -4.420 -17.030
120 1HH1 ARG 35 1HH1 ARG 35 5.034 -2.190 -15.688
121 2HH1 ARG 35 2HH1 ARG 35 5.927 -0.811 -16.139
122 1HH2 ARG 35 1HH2 ARG 35 8.554 -2.613 -17.637
123 2HH2 ARG 35 2HH2 ARG 35 7.970 -1.054 -17.263
124 H TYR 36 H TYR 36 3.354 -8.757 -12.978
125 HA TYR 36 HA TYR 36 4.955 -10.824 -14.292
126 1HB TYR 36 1HB TYR 36 3.662 -10.368 -11.600
127 2HB TYR 36 2HB TYR 36 3.663 -12.005 -12.172
128 HD1 TYR 36 HD1 TYR 36 5.850 -13.119 -12.702
129 HD2 TYR 36 HD2 TYR 36 5.668 -9.210 -11.034
130 HE1 TYR 36 HE1 TYR 36 8.194 -13.264 -12.116
131 HE2 TYR 36 HE2 TYR 36 8.013 -9.335 -10.437
132 HH TYR 36 HH TYR 36 9.845 -12.301 -10.719
133 1HN NH2 37 1HN NH2 37 1.959 -9.543 -14.743
134 2HN NH2 37 2HN NH2 37 1.147 -10.900 -15.344
Start of MODEL 17
1 1H ACE 23 1HA ACE 23 -1.797 1.398 1.265
2 2H ACE 23 2HA ACE 23 -1.920 -0.358 1.416
3 3H ACE 23 3HA ACE 23 -3.043 0.523 0.380
4 H LEU 24 H LEU 24 0.484 0.067 0.764
5 HA LEU 24 HA LEU 24 1.145 0.818 -1.868
6 1HB LEU 24 1HB LEU 24 2.704 0.617 0.147
7 2HB LEU 24 2HB LEU 24 2.577 -1.121 0.013
8 HG LEU 24 HG LEU 24 3.620 -0.931 -2.328
9 1HD1 LEU 24 1HD1 LEU 24 3.844 2.005 -1.494
10 2HD1 LEU 24 2HD1 LEU 24 4.754 1.299 -2.815
11 3HD1 LEU 24 3HD1 LEU 24 3.012 1.389 -2.910
12 1HD2 LEU 24 1HD2 LEU 24 5.204 0.304 -0.043
13 2HD2 LEU 24 2HD2 LEU 24 5.029 -1.414 -0.355
14 3HD2 LEU 24 3HD2 LEU 24 5.894 -0.401 -1.495
15 H ARG 25 H ARG 25 -0.544 -1.674 -0.928
16 HA ARG 25 HA ARG 25 0.314 -3.745 -2.765
17 1HB ARG 25 1HB ARG 25 -2.534 -3.299 -1.710
18 2HB ARG 25 2HB ARG 25 -1.842 -4.821 -2.195
19 1HG ARG 25 1HG ARG 25 -1.122 -3.184 0.289
20 2HG ARG 25 2HG ARG 25 -1.857 -4.760 0.245
21 1HD ARG 25 1HD ARG 25 0.974 -4.031 -0.537
22 2HD ARG 25 2HD ARG 25 0.500 -5.103 0.782
23 HE ARG 25 HE ARG 25 -0.638 -6.416 -1.263
24 1HH1 ARG 25 1HH1 ARG 25 2.504 -5.005 -1.088
25 2HH1 ARG 25 2HH1 ARG 25 3.191 -6.010 -2.293
26 1HH2 ARG 25 1HH2 ARG 25 0.199 -7.796 -2.843
27 2HH2 ARG 25 2HH2 ARG 25 1.862 -7.693 -3.229
28 H HIS 26 H HIS 26 -1.997 -1.124 -2.670
29 HA HIS 26 HA HIS 26 -3.261 -1.361 -5.083
30 1HB HIS 26 1HB HIS 26 -3.489 0.514 -3.292
31 2HB HIS 26 2HB HIS 26 -2.256 1.361 -4.222
32 HD1 HIS 26 HD1 HIS 26 -2.977 2.166 -6.575
33 HD2 HIS 26 HD2 HIS 26 -5.844 -0.057 -4.572
34 HE1 HIS 26 HE1 HIS 26 -5.145 2.359 -7.801
35 H TYR 27 H TYR 27 0.053 -0.725 -4.591
36 HA TYR 27 HA TYR 27 0.404 -0.137 -7.485
37 1HB TYR 27 1HB TYR 27 0.923 1.808 -6.123
38 2HB TYR 27 2HB TYR 27 1.878 0.835 -5.018
39 HD1 TYR 27 HD1 TYR 27 1.794 1.863 -8.624
40 HD2 TYR 27 HD2 TYR 27 4.209 0.802 -5.278
41 HE1 TYR 27 HE1 TYR 27 3.821 2.401 -9.903
42 HE2 TYR 27 HE2 TYR 27 6.225 1.345 -6.569
43 HH TYR 27 HH TYR 27 6.338 1.589 -9.751
44 H LEU 28 H LEU 28 1.746 -2.012 -4.837
45 HA LEU 28 HA LEU 28 3.752 -3.136 -6.647
46 1HB LEU 28 1HB LEU 28 3.648 -2.546 -3.993
47 2HB LEU 28 2HB LEU 28 3.182 -4.195 -3.939
48 HG LEU 28 HG LEU 28 5.303 -4.561 -5.595
49 1HD1 LEU 28 1HD1 LEU 28 5.678 -2.072 -5.786
50 2HD1 LEU 28 2HD1 LEU 28 6.073 -2.023 -4.078
51 3HD1 LEU 28 3HD1 LEU 28 7.093 -2.917 -5.195
52 1HD2 LEU 28 1HD2 LEU 28 5.478 -4.112 -2.577
53 2HD2 LEU 28 2HD2 LEU 28 5.298 -5.642 -3.438
54 3HD2 LEU 28 3HD2 LEU 28 6.805 -4.760 -3.524
55 H ASN 29 H ASN 29 0.791 -3.756 -5.069
56 HA ASN 29 HA ASN 29 0.789 -6.564 -5.874
57 1HB ASN 29 1HB ASN 29 -0.293 -5.574 -3.797
58 2HB ASN 29 2HB ASN 29 -1.514 -4.920 -4.852
59 1HD2 ASN 29 2HD2 ASN 29 -2.702 -6.489 -6.209
60 2HD2 ASN 29 1HD2 ASN 29 -3.021 -8.013 -5.555
61 H LEU 30 H LEU 30 -0.667 -3.564 -6.860
62 HA LEU 30 HA LEU 30 -2.304 -4.752 -8.954
63 1HB LEU 30 1HB LEU 30 -2.712 -2.614 -7.783
64 2HB LEU 30 2HB LEU 30 -1.243 -1.983 -8.430
65 HG LEU 30 HG LEU 30 -3.449 -2.913 -10.327
66 1HD1 LEU 30 1HD1 LEU 30 -3.247 -0.259 -8.826
67 2HD1 LEU 30 2HD1 LEU 30 -4.134 -0.397 -10.329
68 3HD1 LEU 30 3HD1 LEU 30 -4.624 -1.336 -8.937
69 1HD2 LEU 30 1HD2 LEU 30 -0.917 -1.289 -10.543
70 2HD2 LEU 30 2HD2 LEU 30 -1.647 -2.375 -11.710
71 3HD2 LEU 30 3HD2 LEU 30 -2.259 -0.748 -11.526
72 H LEU 31 H LEU 31 0.980 -3.858 -8.574
73 HA LEU 31 HA LEU 31 1.562 -3.781 -11.481
74 1HB LEU 31 1HB LEU 31 2.837 -2.269 -10.093
75 2HB LEU 31 2HB LEU 31 3.232 -3.523 -8.955
76 HG LEU 31 HG LEU 31 4.281 -4.373 -11.534
77 1HD1 LEU 31 1HD1 LEU 31 5.000 -1.515 -10.850
78 2HD1 LEU 31 2HD1 LEU 31 5.740 -2.508 -12.098
79 3HD1 LEU 31 3HD1 LEU 31 4.056 -2.045 -12.232
80 1HD2 LEU 31 1HD2 LEU 31 5.111 -4.484 -8.906
81 2HD2 LEU 31 2HD2 LEU 31 6.153 -4.798 -10.276
82 3HD2 LEU 31 3HD2 LEU 31 6.153 -3.217 -9.523
83 H THR 32 H THR 32 2.068 -6.108 -8.829
84 HA THR 32 HA THR 32 3.696 -7.792 -10.514
85 HB THR 32 HB THR 32 3.262 -7.933 -7.945
86 HG1 THR 32 HG1 THR 32 4.422 -9.619 -8.465
87 1HG2 THR 32 1HG2 THR 32 0.679 -8.383 -8.225
88 2HG2 THR 32 2HG2 THR 32 1.141 -9.949 -8.880
89 3HG2 THR 32 3HG2 THR 32 1.545 -9.534 -7.225
90 H ARG 33 H ARG 33 0.277 -7.235 -10.238
91 HA ARG 33 HA ARG 33 -0.552 -9.497 -11.770
92 1HB ARG 33 1HB ARG 33 -1.855 -6.798 -11.235
93 2HB ARG 33 2HB ARG 33 -2.690 -8.130 -12.021
94 1HG ARG 33 1HG ARG 33 -2.206 -9.566 -10.056
95 2HG ARG 33 2HG ARG 33 -1.415 -8.230 -9.255
96 1HD ARG 33 1HD ARG 33 -3.358 -7.305 -8.586
97 2HD ARG 33 2HD ARG 33 -4.088 -7.420 -10.171
98 HE ARG 33 HE ARG 33 -3.798 -9.671 -8.224
99 1HH1 ARG 33 1HH1 ARG 33 -5.631 -8.102 -10.712
100 2HH1 ARG 33 2HH1 ARG 33 -6.951 -9.190 -10.661
101 1HH2 ARG 33 1HH2 ARG 33 -5.475 -11.152 -8.137
102 2HH2 ARG 33 2HH2 ARG 33 -6.842 -11.005 -9.157
103 H GLN 34 H GLN 34 0.317 -6.296 -12.643
104 HA GLN 34 HA GLN 34 -0.384 -6.787 -15.508
105 1HB GLN 34 1HB GLN 34 -0.245 -4.467 -15.765
106 2HB GLN 34 2HB GLN 34 -1.026 -4.719 -14.212
107 1HG GLN 34 1HG GLN 34 0.519 -3.160 -13.467
108 2HG GLN 34 2HG GLN 34 1.566 -4.563 -13.359
109 1HE2 GLN 34 2HE2 GLN 34 0.479 -2.516 -16.114
110 2HE2 GLN 34 1HE2 GLN 34 2.055 -2.293 -16.689
111 H ARG 35 H ARG 35 2.257 -6.714 -13.413
112 HA ARG 35 HA ARG 35 4.173 -6.651 -15.670
113 1HB ARG 35 1HB ARG 35 4.342 -5.217 -13.484
114 2HB ARG 35 2HB ARG 35 4.881 -6.683 -12.705
115 1HG ARG 35 1HG ARG 35 6.980 -6.259 -13.408
116 2HG ARG 35 2HG ARG 35 6.458 -6.537 -15.052
117 1HD ARG 35 1HD ARG 35 5.533 -4.014 -14.777
118 2HD ARG 35 2HD ARG 35 6.819 -3.887 -13.613
119 HE ARG 35 HE ARG 35 7.002 -4.418 -16.521
120 1HH1 ARG 35 1HH1 ARG 35 8.639 -4.145 -13.508
121 2HH1 ARG 35 2HH1 ARG 35 10.192 -3.857 -14.170
122 1HH2 ARG 35 1HH2 ARG 35 9.019 -4.074 -17.488
123 2HH2 ARG 35 2HH2 ARG 35 10.406 -3.850 -16.524
124 H TYR 36 H TYR 36 3.609 -8.779 -12.800
125 HA TYR 36 HA TYR 36 5.453 -10.702 -14.009
126 1HB TYR 36 1HB TYR 36 3.854 -10.410 -11.437
127 2HB TYR 36 2HB TYR 36 4.131 -12.025 -12.014
128 HD1 TYR 36 HD1 TYR 36 5.788 -8.823 -11.211
129 HD2 TYR 36 HD2 TYR 36 6.344 -12.995 -11.779
130 HE1 TYR 36 HE1 TYR 36 8.064 -8.609 -10.402
131 HE2 TYR 36 HE2 TYR 36 8.637 -12.796 -10.967
132 HH TYR 36 HH TYR 36 9.809 -9.997 -9.415
133 1HN NH2 37 1HN NH2 37 2.174 -9.728 -14.060
134 2HN NH2 37 2HN NH2 37 1.572 -10.969 -15.033
Start of MODEL 18
1 1H ACE 23 1HA ACE 23 -1.654 -0.208 1.620
2 2H ACE 23 2HA ACE 23 -2.987 0.445 0.665
3 3H ACE 23 3HA ACE 23 -1.797 1.535 1.365
4 H LEU 24 H LEU 24 0.580 0.636 0.688
5 HA LEU 24 HA LEU 24 0.886 1.241 -2.015
6 1HB LEU 24 1HB LEU 24 2.553 1.441 -0.087
7 2HB LEU 24 2HB LEU 24 2.769 -0.282 -0.129
8 HG LEU 24 HG LEU 24 4.486 1.395 -1.283
9 1HD1 LEU 24 1HD1 LEU 24 3.600 -1.337 -2.057
10 2HD1 LEU 24 2HD1 LEU 24 4.631 -0.511 -3.215
11 3HD1 LEU 24 3HD1 LEU 24 5.177 -0.752 -1.569
12 1HD2 LEU 24 1HD2 LEU 24 2.641 2.447 -2.744
13 2HD2 LEU 24 2HD2 LEU 24 4.114 1.973 -3.559
14 3HD2 LEU 24 3HD2 LEU 24 2.688 0.964 -3.688
15 H ARG 25 H ARG 25 -0.147 -1.472 -0.709
16 HA ARG 25 HA ARG 25 0.868 -3.432 -2.612
17 1HB ARG 25 1HB ARG 25 -1.119 -3.447 -0.363
18 2HB ARG 25 2HB ARG 25 -1.693 -4.391 -1.710
19 1HG ARG 25 1HG ARG 25 -0.413 -5.877 -0.353
20 2HG ARG 25 2HG ARG 25 0.489 -5.596 -1.819
21 1HD ARG 25 1HD ARG 25 2.214 -4.900 -0.597
22 2HD ARG 25 2HD ARG 25 1.309 -3.480 -0.092
23 HE ARG 25 HE ARG 25 0.262 -5.044 1.661
24 1HH1 ARG 25 1HH1 ARG 25 3.534 -5.309 0.555
25 2HH1 ARG 25 2HH1 ARG 25 4.122 -6.067 1.965
26 1HH2 ARG 25 1HH2 ARG 25 0.984 -6.032 3.563
27 2HH2 ARG 25 2HH2 ARG 25 2.624 -6.469 3.739
28 H HIS 26 H HIS 26 -1.878 -1.278 -2.317
29 HA HIS 26 HA HIS 26 -3.388 -2.047 -4.462
30 1HB HIS 26 1HB HIS 26 -3.769 -0.027 -2.898
31 2HB HIS 26 2HB HIS 26 -2.749 0.880 -4.011
32 HD1 HIS 26 HD1 HIS 26 -3.791 1.431 -6.294
33 HD2 HIS 26 HD2 HIS 26 -6.108 -1.077 -3.942
34 HE1 HIS 26 HE1 HIS 26 -6.036 1.194 -7.349
35 H TYR 27 H TYR 27 -0.291 -0.557 -4.493
36 HA TYR 27 HA TYR 27 -0.286 -0.346 -7.458
37 1HB TYR 27 1HB TYR 27 -0.007 1.781 -6.263
38 2HB TYR 27 2HB TYR 27 1.246 1.097 -5.264
39 HD1 TYR 27 HD1 TYR 27 0.463 2.358 -8.637
40 HD2 TYR 27 HD2 TYR 27 3.542 0.957 -6.049
41 HE1 TYR 27 HE1 TYR 27 2.158 3.220 -10.184
42 HE2 TYR 27 HE2 TYR 27 5.228 1.816 -7.607
43 HH TYR 27 HH TYR 27 4.623 2.664 -10.718
44 H LEU 28 H LEU 28 1.365 -1.962 -4.879
45 HA LEU 28 HA LEU 28 3.564 -2.781 -6.657
46 1HB LEU 28 1HB LEU 28 3.467 -2.285 -4.032
47 2HB LEU 28 2HB LEU 28 3.012 -3.945 -3.958
48 HG LEU 28 HG LEU 28 5.094 -4.417 -5.535
49 1HD1 LEU 28 1HD1 LEU 28 5.453 -1.844 -5.855
50 2HD1 LEU 28 2HD1 LEU 28 6.140 -1.862 -4.239
51 3HD1 LEU 28 3HD1 LEU 28 6.872 -2.807 -5.523
52 1HD2 LEU 28 1HD2 LEU 28 5.409 -3.647 -2.601
53 2HD2 LEU 28 2HD2 LEU 28 5.023 -5.240 -3.239
54 3HD2 LEU 28 3HD2 LEU 28 6.609 -4.546 -3.513
55 H ASN 29 H ASN 29 0.754 -3.830 -5.048
56 HA ASN 29 HA ASN 29 0.983 -6.593 -5.882
57 1HB ASN 29 1HB ASN 29 -0.370 -5.763 -3.900
58 2HB ASN 29 2HB ASN 29 -1.494 -5.067 -5.047
59 1HD2 ASN 29 2HD2 ASN 29 -2.251 -6.732 -6.774
60 2HD2 ASN 29 1HD2 ASN 29 -2.751 -8.218 -6.090
61 H LEU 30 H LEU 30 -0.695 -3.695 -6.984
62 HA LEU 30 HA LEU 30 -2.028 -5.011 -9.176
63 1HB LEU 30 1HB LEU 30 -2.600 -2.800 -8.242
64 2HB LEU 30 2HB LEU 30 -1.095 -2.144 -8.802
65 HG LEU 30 HG LEU 30 -2.767 -3.489 -10.949
66 1HD1 LEU 30 1HD1 LEU 30 -3.517 -0.780 -9.773
67 2HD1 LEU 30 2HD1 LEU 30 -4.198 -1.493 -11.228
68 3HD1 LEU 30 3HD1 LEU 30 -4.492 -2.235 -9.667
69 1HD2 LEU 30 1HD2 LEU 30 -1.033 -0.982 -10.753
70 2HD2 LEU 30 2HD2 LEU 30 -0.715 -2.437 -11.681
71 3HD2 LEU 30 3HD2 LEU 30 -1.994 -1.352 -12.173
72 H LEU 31 H LEU 31 1.134 -3.827 -8.540
73 HA LEU 31 HA LEU 31 2.064 -3.755 -11.304
74 1HB LEU 31 1HB LEU 31 3.127 -3.084 -8.736
75 2HB LEU 31 2HB LEU 31 4.146 -4.381 -9.255
76 HG LEU 31 HG LEU 31 5.099 -2.230 -9.943
77 1HD1 LEU 31 1HD1 LEU 31 5.302 -4.145 -11.558
78 2HD1 LEU 31 2HD1 LEU 31 3.918 -3.528 -12.442
79 3HD1 LEU 31 3HD1 LEU 31 5.383 -2.568 -12.333
80 1HD2 LEU 31 1HD2 LEU 31 2.427 -1.679 -11.319
81 2HD2 LEU 31 2HD2 LEU 31 3.115 -0.821 -9.954
82 3HD2 LEU 31 3HD2 LEU 31 3.875 -0.716 -11.530
83 H THR 32 H THR 32 1.824 -6.241 -8.909
84 HA THR 32 HA THR 32 3.396 -8.069 -10.579
85 HB THR 32 HB THR 32 2.991 -8.160 -8.023
86 HG1 THR 32 HG1 THR 32 3.878 -10.040 -8.470
87 1HG2 THR 32 1HG2 THR 32 0.249 -8.647 -8.741
88 2HG2 THR 32 2HG2 THR 32 0.895 -10.228 -8.379
89 3HG2 THR 32 3HG2 THR 32 0.959 -8.955 -7.176
90 H ARG 33 H ARG 33 0.184 -6.840 -10.543
91 HA ARG 33 HA ARG 33 -0.915 -9.118 -12.013
92 1HB ARG 33 1HB ARG 33 -2.035 -6.276 -11.725
93 2HB ARG 33 2HB ARG 33 -2.887 -7.645 -12.400
94 1HG ARG 33 1HG ARG 33 -2.347 -8.811 -10.091
95 2HG ARG 33 2HG ARG 33 -2.058 -7.184 -9.524
96 1HD ARG 33 1HD ARG 33 -4.419 -6.730 -10.754
97 2HD ARG 33 2HD ARG 33 -4.648 -8.437 -10.500
98 HE ARG 33 HE ARG 33 -4.184 -6.342 -8.405
99 1HH1 ARG 33 1HH1 ARG 33 -5.146 -9.584 -9.197
100 2HH1 ARG 33 2HH1 ARG 33 -5.811 -9.923 -7.664
101 1HH2 ARG 33 1HH2 ARG 33 -5.008 -6.735 -6.393
102 2HH2 ARG 33 2HH2 ARG 33 -5.679 -8.261 -6.011
103 H GLN 34 H GLN 34 0.648 -6.080 -12.883
104 HA GLN 34 HA GLN 34 -0.006 -6.590 -15.722
105 1HB GLN 34 1HB GLN 34 1.514 -4.254 -14.614
106 2HB GLN 34 2HB GLN 34 0.537 -4.324 -16.074
107 1HG GLN 34 1HG GLN 34 -0.529 -4.503 -13.215
108 2HG GLN 34 2HG GLN 34 -0.472 -3.047 -14.125
109 1HE2 GLN 34 2HE2 GLN 34 -1.364 -4.715 -16.664
110 2HE2 GLN 34 1HE2 GLN 34 -3.013 -4.954 -16.362
111 H ARG 35 H ARG 35 2.769 -6.475 -13.493
112 HA ARG 35 HA ARG 35 4.563 -6.894 -15.792
113 1HB ARG 35 1HB ARG 35 4.860 -5.510 -13.426
114 2HB ARG 35 2HB ARG 35 5.502 -7.048 -12.943
115 1HG ARG 35 1HG ARG 35 7.460 -6.013 -13.819
116 2HG ARG 35 2HG ARG 35 6.888 -6.836 -15.247
117 1HD ARG 35 1HD ARG 35 6.629 -4.835 -16.341
118 2HD ARG 35 2HD ARG 35 5.492 -4.289 -15.140
119 HE ARG 35 HE ARG 35 7.402 -3.567 -13.729
120 1HH1 ARG 35 1HH1 ARG 35 7.991 -3.925 -17.135
121 2HH1 ARG 35 2HH1 ARG 35 9.302 -2.836 -17.165
122 1HH2 ARG 35 1HH2 ARG 35 9.097 -2.158 -13.716
123 2HH2 ARG 35 2HH2 ARG 35 9.959 -1.814 -15.159
124 H TYR 36 H TYR 36 3.452 -8.835 -12.912
125 HA TYR 36 HA TYR 36 5.022 -11.079 -13.938
126 1HB TYR 36 1HB TYR 36 3.377 -10.428 -11.494
127 2HB TYR 36 2HB TYR 36 3.291 -12.072 -12.036
128 HD1 TYR 36 HD1 TYR 36 5.343 -13.465 -12.051
129 HD2 TYR 36 HD2 TYR 36 5.426 -9.418 -10.757
130 HE1 TYR 36 HE1 TYR 36 7.526 -13.829 -11.073
131 HE2 TYR 36 HE2 TYR 36 7.611 -9.756 -9.770
132 HH TYR 36 HH TYR 36 9.124 -12.947 -9.640
133 1HN NH2 37 1HN NH2 37 2.253 -9.531 -14.867
134 2HN NH2 37 2HN NH2 37 1.419 -10.827 -15.559
Start of MODEL 19
1 1H ACE 23 1HA ACE 23 -2.147 1.449 1.013
2 2H ACE 23 2HA ACE 23 -2.655 -0.231 0.792
3 3H ACE 23 3HA ACE 23 -3.419 1.056 -0.140
4 H LEU 24 H LEU 24 0.056 0.687 0.488
5 HA LEU 24 HA LEU 24 0.753 1.189 -2.181
6 1HB LEU 24 1HB LEU 24 2.174 1.435 -0.100
7 2HB LEU 24 2HB LEU 24 2.309 -0.302 -0.024
8 HG LEU 24 HG LEU 24 3.064 0.690 -2.713
9 1HD1 LEU 24 1HD1 LEU 24 4.548 1.871 -0.325
10 2HD1 LEU 24 2HD1 LEU 24 5.122 1.908 -1.983
11 3HD1 LEU 24 3HD1 LEU 24 3.659 2.765 -1.544
12 1HD2 LEU 24 1HD2 LEU 24 3.675 -1.522 -1.718
13 2HD2 LEU 24 2HD2 LEU 24 5.094 -0.616 -2.219
14 3HD2 LEU 24 3HD2 LEU 24 4.661 -0.699 -0.518
15 H ARG 25 H ARG 25 -0.550 -1.435 -0.932
16 HA ARG 25 HA ARG 25 0.693 -3.510 -2.574
17 1HB ARG 25 1HB ARG 25 -1.692 -3.353 -0.720
18 2HB ARG 25 2HB ARG 25 -1.954 -4.417 -2.079
19 1HG ARG 25 1HG ARG 25 -0.972 -5.791 -0.417
20 2HG ARG 25 2HG ARG 25 0.279 -5.519 -1.596
21 1HD ARG 25 1HD ARG 25 1.598 -4.765 0.082
22 2HD ARG 25 2HD ARG 25 0.585 -3.317 0.160
23 HE ARG 25 HE ARG 25 -0.773 -5.341 1.553
24 1HH1 ARG 25 1HH1 ARG 25 2.146 -3.573 1.721
25 2HH1 ARG 25 2HH1 ARG 25 2.317 -3.626 3.426
26 1HH2 ARG 25 1HH2 ARG 25 -0.665 -5.508 3.808
27 2HH2 ARG 25 2HH2 ARG 25 0.625 -4.782 4.664
28 H HIS 26 H HIS 26 -2.050 -1.320 -2.699
29 HA HIS 26 HA HIS 26 -3.193 -2.043 -5.098
30 1HB HIS 26 1HB HIS 26 -3.918 -0.118 -3.560
31 2HB HIS 26 2HB HIS 26 -2.704 0.873 -4.367
32 HD1 HIS 26 HD1 HIS 26 -3.234 1.545 -6.798
33 HD2 HIS 26 HD2 HIS 26 -5.966 -1.098 -5.134
34 HE1 HIS 26 HE1 HIS 26 -5.210 1.359 -8.318
35 H TYR 27 H TYR 27 -0.059 -0.811 -4.581
36 HA TYR 27 HA TYR 27 0.305 -0.407 -7.489
37 1HB TYR 27 1HB TYR 27 0.580 1.689 -6.170
38 2HB TYR 27 2HB TYR 27 1.656 0.864 -5.062
39 HD1 TYR 27 HD1 TYR 27 1.380 2.243 -8.487
40 HD2 TYR 27 HD2 TYR 27 4.009 0.624 -5.549
41 HE1 TYR 27 HE1 TYR 27 3.313 2.986 -9.796
42 HE2 TYR 27 HE2 TYR 27 5.935 1.373 -6.872
43 HH TYR 27 HH TYR 27 5.995 1.973 -9.816
44 H LEU 28 H LEU 28 1.528 -2.154 -4.804
45 HA LEU 28 HA LEU 28 3.847 -3.075 -6.382
46 1HB LEU 28 1HB LEU 28 3.610 -2.582 -3.775
47 2HB LEU 28 2HB LEU 28 2.975 -4.192 -3.728
48 HG LEU 28 HG LEU 28 5.095 -4.926 -5.088
49 1HD1 LEU 28 1HD1 LEU 28 5.750 -2.078 -4.331
50 2HD1 LEU 28 2HD1 LEU 28 7.047 -3.255 -4.268
51 3HD1 LEU 28 3HD1 LEU 28 6.185 -2.983 -5.768
52 1HD2 LEU 28 1HD2 LEU 28 5.333 -3.999 -2.185
53 2HD2 LEU 28 2HD2 LEU 28 4.730 -5.558 -2.729
54 3HD2 LEU 28 3HD2 LEU 28 6.417 -5.142 -2.959
55 H ASN 29 H ASN 29 0.943 -3.996 -4.998
56 HA ASN 29 HA ASN 29 0.956 -6.780 -5.770
57 1HB ASN 29 1HB ASN 29 -0.202 -5.819 -3.758
58 2HB ASN 29 2HB ASN 29 -1.367 -5.106 -4.857
59 1HD2 ASN 29 2HD2 ASN 29 -2.486 -6.676 -6.352
60 2HD2 ASN 29 1HD2 ASN 29 -2.912 -8.163 -5.666
61 H LEU 30 H LEU 30 -0.282 -3.801 -7.038
62 HA LEU 30 HA LEU 30 -1.816 -5.201 -9.130
63 1HB LEU 30 1HB LEU 30 -2.374 -3.043 -7.877
64 2HB LEU 30 2HB LEU 30 -1.097 -2.289 -8.771
65 HG LEU 30 HG LEU 30 -3.494 -3.716 -10.071
66 1HD1 LEU 30 1HD1 LEU 30 -3.221 -0.807 -9.164
67 2HD1 LEU 30 2HD1 LEU 30 -4.478 -1.354 -10.265
68 3HD1 LEU 30 3HD1 LEU 30 -4.412 -1.967 -8.625
69 1HD2 LEU 30 1HD2 LEU 30 -1.277 -1.923 -11.077
70 2HD2 LEU 30 2HD2 LEU 30 -1.975 -3.355 -11.815
71 3HD2 LEU 30 3HD2 LEU 30 -2.841 -1.835 -11.871
72 H LEU 31 H LEU 31 1.332 -4.063 -8.440
73 HA LEU 31 HA LEU 31 2.241 -3.725 -11.205
74 1HB LEU 31 1HB LEU 31 3.365 -3.237 -8.582
75 2HB LEU 31 2HB LEU 31 4.354 -4.470 -9.237
76 HG LEU 31 HG LEU 31 5.222 -2.172 -9.704
77 1HD1 LEU 31 1HD1 LEU 31 5.592 -4.207 -11.280
78 2HD1 LEU 31 2HD1 LEU 31 4.426 -3.432 -12.344
79 3HD1 LEU 31 3HD1 LEU 31 5.917 -2.607 -11.927
80 1HD2 LEU 31 1HD2 LEU 31 2.876 -1.152 -10.023
81 2HD2 LEU 31 2HD2 LEU 31 4.115 -0.622 -11.142
82 3HD2 LEU 31 3HD2 LEU 31 2.918 -1.780 -11.662
83 H THR 32 H THR 32 2.557 -6.255 -8.723
84 HA THR 32 HA THR 32 3.859 -8.009 -10.564
85 HB THR 32 HB THR 32 3.942 -8.243 -8.176
86 HG1 THR 32 HG1 THR 32 3.048 -10.241 -9.852
87 1HG2 THR 32 1HG2 THR 32 0.955 -8.884 -8.305
88 2HG2 THR 32 2HG2 THR 32 1.972 -9.245 -6.920
89 3HG2 THR 32 3HG2 THR 32 1.738 -7.585 -7.425
90 H ARG 33 H ARG 33 0.575 -7.040 -10.126
91 HA ARG 33 HA ARG 33 -0.502 -9.326 -11.630
92 1HB ARG 33 1HB ARG 33 -1.769 -6.695 -10.769
93 2HB ARG 33 2HB ARG 33 -2.648 -7.965 -11.582
94 1HG ARG 33 1HG ARG 33 -1.046 -8.675 -9.121
95 2HG ARG 33 2HG ARG 33 -2.533 -7.811 -8.901
96 1HD ARG 33 1HD ARG 33 -3.819 -9.660 -9.527
97 2HD ARG 33 2HD ARG 33 -2.718 -10.133 -10.796
98 HE ARG 33 HE ARG 33 -1.163 -11.001 -9.085
99 1HH1 ARG 33 1HH1 ARG 33 -4.518 -10.649 -8.251
100 2HH1 ARG 33 2HH1 ARG 33 -4.468 -11.811 -7.013
101 1HH2 ARG 33 1HH2 ARG 33 -1.085 -12.563 -7.461
102 2HH2 ARG 33 2HH2 ARG 33 -2.489 -12.964 -6.566
103 H GLN 34 H GLN 34 0.407 -5.987 -12.402
104 HA GLN 34 HA GLN 34 -0.572 -6.404 -15.167
105 1HB GLN 34 1HB GLN 34 -0.206 -4.018 -15.404
106 2HB GLN 34 2HB GLN 34 -1.035 -4.312 -13.882
107 1HG GLN 34 1HG GLN 34 0.575 -3.005 -12.933
108 2HG GLN 34 2HG GLN 34 1.595 -4.420 -13.044
109 1HE2 GLN 34 2HE2 GLN 34 1.841 -4.178 -16.092
110 2HE2 GLN 34 1HE2 GLN 34 2.878 -2.846 -16.262
111 H ARG 35 H ARG 35 2.249 -6.604 -13.326
112 HA ARG 35 HA ARG 35 4.004 -6.403 -15.730
113 1HB ARG 35 1HB ARG 35 4.458 -5.319 -13.329
114 2HB ARG 35 2HB ARG 35 5.004 -6.917 -12.903
115 1HG ARG 35 1HG ARG 35 7.032 -6.221 -13.690
116 2HG ARG 35 2HG ARG 35 6.368 -6.541 -15.275
117 1HD ARG 35 1HD ARG 35 5.406 -4.056 -15.052
118 2HD ARG 35 2HD ARG 35 6.649 -3.867 -13.839
119 HE ARG 35 HE ARG 35 7.063 -4.661 -16.704
120 1HH1 ARG 35 1HH1 ARG 35 8.361 -3.265 -13.788
121 2HH1 ARG 35 2HH1 ARG 35 9.816 -2.756 -14.523
122 1HH2 ARG 35 1HH2 ARG 35 8.947 -4.042 -17.665
123 2HH2 ARG 35 2HH2 ARG 35 10.164 -3.225 -16.787
124 H TYR 36 H TYR 36 3.321 -8.792 -13.045
125 HA TYR 36 HA TYR 36 4.662 -10.814 -14.738
126 1HB TYR 36 1HB TYR 36 3.803 -10.518 -11.832
127 2HB TYR 36 2HB TYR 36 3.859 -12.102 -12.521
128 HD1 TYR 36 HD1 TYR 36 5.803 -8.995 -11.977
129 HD2 TYR 36 HD2 TYR 36 6.038 -13.167 -12.804
130 HE1 TYR 36 HE1 TYR 36 8.223 -8.919 -11.663
131 HE2 TYR 36 HE2 TYR 36 8.461 -13.087 -12.492
132 HH TYR 36 HH TYR 36 10.140 -11.718 -11.413
133 1HN NH2 37 1HN NH2 37 2.631 -9.670 -15.946
134 2HN NH2 37 2HN NH2 37 1.201 -10.584 -15.885
Start of MODEL 20
1 1H ACE 23 1HA ACE 23 -3.146 0.705 0.386
2 2H ACE 23 2HA ACE 23 -1.945 1.707 1.193
3 3H ACE 23 3HA ACE 23 -1.958 -0.042 1.454
4 H LEU 24 H LEU 24 0.406 0.367 0.726
5 HA LEU 24 HA LEU 24 0.942 1.041 -1.969
6 1HB LEU 24 1HB LEU 24 2.594 1.057 -0.046
7 2HB LEU 24 2HB LEU 24 2.548 -0.691 -0.025
8 HG LEU 24 HG LEU 24 3.473 -0.662 -2.413
9 1HD1 LEU 24 1HD1 LEU 24 3.612 2.342 -1.807
10 2HD1 LEU 24 2HD1 LEU 24 4.538 1.572 -3.078
11 3HD1 LEU 24 3HD1 LEU 24 2.793 1.577 -3.158
12 1HD2 LEU 24 1HD2 LEU 24 4.896 -0.896 -0.339
13 2HD2 LEU 24 2HD2 LEU 24 5.738 -0.168 -1.695
14 3HD2 LEU 24 3HD2 LEU 24 5.160 0.838 -0.376
15 H ARG 25 H ARG 25 -0.487 -1.556 -0.811
16 HA ARG 25 HA ARG 25 0.515 -3.586 -2.644
17 1HB ARG 25 1HB ARG 25 -1.666 -3.430 -0.609
18 2HB ARG 25 2HB ARG 25 -2.210 -4.293 -2.020
19 1HG ARG 25 1HG ARG 25 -1.226 -5.913 -0.587
20 2HG ARG 25 2HG ARG 25 -0.174 -5.721 -1.966
21 1HD ARG 25 1HD ARG 25 1.504 -5.205 -0.607
22 2HD ARG 25 2HD ARG 25 0.700 -3.726 -0.108
23 HE ARG 25 HE ARG 25 -0.627 -5.243 1.488
24 1HH1 ARG 25 1HH1 ARG 25 2.685 -5.765 0.605
25 2HH1 ARG 25 2HH1 ARG 25 3.099 -6.616 2.022
26 1HH2 ARG 25 1HH2 ARG 25 -0.129 -6.353 3.400
27 2HH2 ARG 25 2HH2 ARG 25 1.441 -6.962 3.661
28 H HIS 26 H HIS 26 -1.797 -1.008 -2.694
29 HA HIS 26 HA HIS 26 -3.165 -1.775 -5.013
30 1HB HIS 26 1HB HIS 26 -3.677 0.227 -3.466
31 2HB HIS 26 2HB HIS 26 -2.496 1.128 -4.413
32 HD1 HIS 26 HD1 HIS 26 -3.195 1.679 -6.848
33 HD2 HIS 26 HD2 HIS 26 -5.890 -0.730 -4.807
34 HE1 HIS 26 HE1 HIS 26 -5.296 1.502 -8.183
35 H TYR 27 H TYR 27 0.034 -0.768 -4.582
36 HA TYR 27 HA TYR 27 0.445 -0.401 -7.519
37 1HB TYR 27 1HB TYR 27 0.722 1.671 -6.341
38 2HB TYR 27 2HB TYR 27 1.674 0.898 -5.092
39 HD1 TYR 27 HD1 TYR 27 1.741 2.107 -8.592
40 HD2 TYR 27 HD2 TYR 27 4.048 0.562 -5.351
41 HE1 TYR 27 HE1 TYR 27 3.804 2.732 -9.753
42 HE2 TYR 27 HE2 TYR 27 6.108 1.196 -6.533
43 HH TYR 27 HH TYR 27 6.260 1.902 -9.705
44 H LEU 28 H LEU 28 1.333 -2.228 -4.797
45 HA LEU 28 HA LEU 28 3.822 -3.235 -6.003
46 1HB LEU 28 1HB LEU 28 3.073 -2.804 -3.441
47 2HB LEU 28 2HB LEU 28 2.473 -4.412 -3.596
48 HG LEU 28 HG LEU 28 5.037 -4.705 -4.705
49 1HD1 LEU 28 1HD1 LEU 28 5.507 -2.322 -3.909
50 2HD1 LEU 28 2HD1 LEU 28 5.366 -2.914 -2.261
51 3HD1 LEU 28 3HD1 LEU 28 6.625 -3.532 -3.315
52 1HD2 LEU 28 1HD2 LEU 28 3.933 -6.212 -3.036
53 2HD2 LEU 28 2HD2 LEU 28 5.611 -5.892 -2.648
54 3HD2 LEU 28 3HD2 LEU 28 4.341 -5.071 -1.754
55 H ASN 29 H ASN 29 0.579 -4.042 -5.164
56 HA ASN 29 HA ASN 29 0.756 -6.718 -6.305
57 1HB ASN 29 1HB ASN 29 -0.517 -6.141 -4.249
58 2HB ASN 29 2HB ASN 29 -1.652 -5.270 -5.268
59 1HD2 ASN 29 2HD2 ASN 29 -2.837 -6.458 -6.853
60 2HD2 ASN 29 1HD2 ASN 29 -3.030 -8.150 -6.734
61 H LEU 30 H LEU 30 -0.831 -3.611 -7.086
62 HA LEU 30 HA LEU 30 -2.249 -4.601 -9.366
63 1HB LEU 30 1HB LEU 30 -2.627 -2.445 -8.277
64 2HB LEU 30 2HB LEU 30 -1.050 -1.903 -8.762
65 HG LEU 30 HG LEU 30 -2.910 -2.739 -10.997
66 1HD1 LEU 30 1HD1 LEU 30 -3.038 -0.096 -9.460
67 2HD1 LEU 30 2HD1 LEU 30 -3.780 -0.344 -11.031
68 3HD1 LEU 30 3HD1 LEU 30 -4.346 -1.251 -9.640
69 1HD2 LEU 30 1HD2 LEU 30 -0.542 -0.852 -10.601
70 2HD2 LEU 30 2HD2 LEU 30 -0.777 -2.075 -11.840
71 3HD2 LEU 30 3HD2 LEU 30 -1.645 -0.566 -11.929
72 H LEU 31 H LEU 31 0.983 -3.891 -8.707
73 HA LEU 31 HA LEU 31 1.788 -3.791 -11.559
74 1HB LEU 31 1HB LEU 31 2.820 -2.387 -9.675
75 2HB LEU 31 2HB LEU 31 3.498 -3.849 -9.021
76 HG LEU 31 HG LEU 31 4.076 -3.689 -11.891
77 1HD1 LEU 31 1HD1 LEU 31 3.779 -1.246 -11.521
78 2HD1 LEU 31 2HD1 LEU 31 4.948 -1.307 -10.212
79 3HD1 LEU 31 3HD1 LEU 31 5.458 -1.633 -11.864
80 1HD2 LEU 31 1HD2 LEU 31 5.723 -3.749 -9.338
81 2HD2 LEU 31 2HD2 LEU 31 5.460 -5.052 -10.482
82 3HD2 LEU 31 3HD2 LEU 31 6.479 -3.694 -10.918
83 H THR 32 H THR 32 2.403 -6.029 -8.806
84 HA THR 32 HA THR 32 3.816 -7.789 -10.587
85 HB THR 32 HB THR 32 3.661 -7.972 -8.078
86 HG1 THR 32 HG1 THR 32 3.104 -10.506 -8.861
87 1HG2 THR 32 1HG2 THR 32 1.052 -8.090 -7.942
88 2HG2 THR 32 2HG2 THR 32 1.147 -9.680 -8.663
89 3HG2 THR 32 3HG2 THR 32 1.869 -9.378 -7.091
90 H ARG 33 H ARG 33 0.484 -7.225 -9.952
91 HA ARG 33 HA ARG 33 -0.644 -9.422 -11.375
92 1HB ARG 33 1HB ARG 33 -1.642 -6.662 -10.643
93 2HB ARG 33 2HB ARG 33 -2.680 -7.818 -11.439
94 1HG ARG 33 1HG ARG 33 -1.160 -8.806 -9.021
95 2HG ARG 33 2HG ARG 33 -2.347 -7.582 -8.725
96 1HD ARG 33 1HD ARG 33 -3.318 -9.759 -10.492
97 2HD ARG 33 2HD ARG 33 -2.832 -10.276 -8.884
98 HE ARG 33 HE ARG 33 -4.571 -7.910 -9.413
99 1HH1 ARG 33 1HH1 ARG 33 -3.959 -10.835 -7.660
100 2HH1 ARG 33 2HH1 ARG 33 -5.262 -10.669 -6.587
101 1HH2 ARG 33 1HH2 ARG 33 -6.350 -7.643 -8.031
102 2HH2 ARG 33 2HH2 ARG 33 -6.699 -8.787 -6.810
103 H GLN 34 H GLN 34 0.546 -6.372 -12.383
104 HA GLN 34 HA GLN 34 -0.386 -7.010 -15.169
105 1HB GLN 34 1HB GLN 34 -0.910 -4.854 -15.419
106 2HB GLN 34 2HB GLN 34 -1.103 -4.953 -13.688
107 1HG GLN 34 1HG GLN 34 0.284 -3.214 -13.442
108 2HG GLN 34 2HG GLN 34 1.619 -4.203 -14.003
109 1HE2 GLN 34 2HE2 GLN 34 -1.273 -2.950 -15.772
110 2HE2 GLN 34 1HE2 GLN 34 -0.365 -2.118 -16.937
111 H ARG 35 H ARG 35 2.295 -6.903 -13.310
112 HA ARG 35 HA ARG 35 4.172 -6.441 -15.571
113 1HB ARG 35 1HB ARG 35 4.452 -5.335 -13.154
114 2HB ARG 35 2HB ARG 35 4.951 -6.925 -12.645
115 1HG ARG 35 1HG ARG 35 7.041 -6.073 -13.167
116 2HG ARG 35 2HG ARG 35 6.636 -6.743 -14.730
117 1HD ARG 35 1HD ARG 35 6.202 -3.817 -13.893
118 2HD ARG 35 2HD ARG 35 7.492 -4.407 -14.894
119 HE ARG 35 HE ARG 35 5.950 -4.987 -16.656
120 1HH1 ARG 35 1HH1 ARG 35 4.518 -3.303 -13.987
121 2HH1 ARG 35 2HH1 ARG 35 3.142 -2.795 -14.876
122 1HH2 ARG 35 1HH2 ARG 35 4.130 -4.333 -17.850
123 2HH2 ARG 35 2HH2 ARG 35 2.911 -3.422 -17.048
124 H TYR 36 H TYR 36 3.571 -8.864 -12.954
125 HA TYR 36 HA TYR 36 5.290 -10.736 -14.382
126 1HB TYR 36 1HB TYR 36 3.688 -10.642 -11.818
127 2HB TYR 36 2HB TYR 36 3.832 -12.200 -12.564
128 HD1 TYR 36 HD1 TYR 36 6.266 -12.957 -13.226
129 HD2 TYR 36 HD2 TYR 36 5.452 -9.766 -10.520
130 HE1 TYR 36 HE1 TYR 36 8.525 -13.122 -12.330
131 HE2 TYR 36 HE2 TYR 36 7.704 -9.932 -9.631
132 HH TYR 36 HH TYR 36 10.142 -11.194 -11.041
133 1HN NH2 37 1HN NH2 37 2.162 -9.507 -14.658
134 2HN NH2 37 2HN NH2 37 1.493 -10.718 -15.635