Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3022 | 1d1f RC | 5216 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ACE 24 1HA ACE 24 1.399 -0.316 -2.481
2 2H ACE 24 2HA ACE 24 -0.061 0.440 -1.840
3 3H ACE 24 3HA ACE 24 1.113 -0.276 -0.739
4 H ALA 24 H ALA 24 2.424 1.220 0.224
5 HA ALA 24 HA ALA 24 2.551 3.951 -0.890
6 1HB ALA 24 1HB ALA 24 2.304 3.595 1.585
7 2HB ALA 24 2HB ALA 24 3.795 4.452 1.201
8 3HB ALA 24 3HB ALA 24 3.850 2.748 1.591
9 H ARG 25 H ARG 25 3.581 2.416 -2.700
10 HA ARG 25 HA ARG 25 5.986 1.397 -3.057
11 1HB ARG 25 2HB ARG 25 6.157 2.582 -5.259
12 2HB ARG 25 1HB ARG 25 4.610 1.883 -4.921
13 1HG ARG 25 2HG ARG 25 3.798 3.878 -5.693
14 2HG ARG 25 1HG ARG 25 4.068 4.409 -4.052
15 1HD ARG 25 2HD ARG 25 6.179 5.508 -4.673
16 2HD ARG 25 1HD ARG 25 6.223 4.644 -6.185
17 HE ARG 25 HE ARG 25 4.080 6.648 -5.513
18 1HH1 ARG 25 1HH2 ARG 25 6.439 5.451 -7.743
19 2HH1 ARG 25 2HH2 ARG 25 6.024 6.540 -8.994
20 1HH2 ARG 25 2HH1 ARG 25 3.490 8.070 -7.088
21 2HH2 ARG 25 1HH1 ARG 25 4.266 8.085 -8.613
22 H HIS 26 H HIS 26 5.901 4.944 -2.672
23 HA HIS 26 HA HIS 26 8.645 5.391 -3.024
24 1HB HIS 26 2HB HIS 26 6.686 6.807 -1.161
25 2HB HIS 26 1HB HIS 26 8.305 7.417 -1.464
26 HD1 HIS 26 HD1 HIS 26 8.753 7.405 -4.277
27 HD2 HIS 26 HD2 HIS 26 4.920 7.981 -2.780
28 HE1 HIS 26 HE1 HIS 26 7.360 8.520 -6.024
29 H TYR 27 H TYR 27 7.103 4.098 -0.437
30 HA TYR 27 HA TYR 27 9.350 4.219 1.423
31 1HB TYR 27 2HB TYR 27 6.436 3.721 1.613
32 2HB TYR 27 1HB TYR 27 7.316 2.496 2.503
33 HD1 TYR 27 HD1 TYR 27 7.933 6.157 1.916
34 HD2 TYR 27 HD2 TYR 27 7.315 3.047 4.761
35 HE1 TYR 27 HE1 TYR 27 8.290 7.746 3.733
36 HE2 TYR 27 HE2 TYR 27 7.672 4.640 6.576
37 HH TYR 27 HH TYR 27 7.611 7.034 6.992
38 H LYS 28 H LYS 28 8.798 2.344 -0.977
39 HA LYS 28 HA LYS 28 9.445 -0.289 0.115
40 1HB LYS 28 2HB LYS 28 8.727 0.625 -2.464
41 2HB LYS 28 1HB LYS 28 10.420 0.274 -2.674
42 1HG LYS 28 2HG LYS 28 9.835 -2.024 -1.504
43 2HG LYS 28 1HG LYS 28 8.178 -1.572 -1.792
44 1HD LYS 28 2HD LYS 28 8.978 -3.008 -3.586
45 2HD LYS 28 1HD LYS 28 8.570 -1.431 -4.224
46 1HE LYS 28 2HE LYS 28 10.828 -2.476 -4.958
47 2HE LYS 28 1HE LYS 28 10.925 -0.802 -4.409
48 1HZ LYS 28 HZ LYS 28 11.497 -3.196 -2.676
49 H ASN 29 H ASN 29 11.097 2.365 -1.314
50 HA ASN 29 HA ASN 29 13.766 1.824 -1.455
51 1HB ASN 29 2HB ASN 29 12.426 4.318 -0.334
52 2HB ASN 29 1HB ASN 29 14.164 4.215 -0.523
53 1HD2 ASN 29 1HD2 ASN 29 11.331 5.098 -2.169
54 2HD2 ASN 29 2HD2 ASN 29 12.011 5.066 -3.735
55 H LEU 30 H LEU 30 12.318 3.016 1.516
56 HA LEU 30 HA LEU 30 14.485 2.765 3.262
57 1HB LEU 30 2HB LEU 30 11.555 2.225 3.931
58 2HB LEU 30 1HB LEU 30 12.798 2.689 5.072
59 HG LEU 30 HG LEU 30 11.807 4.405 2.722
60 1HD1 LEU 30 1HD1 LEU 30 11.379 4.689 5.719
61 2HD1 LEU 30 2HD1 LEU 30 10.182 4.177 4.551
62 3HD1 LEU 30 3HD1 LEU 30 10.820 5.802 4.485
63 1HD2 LEU 30 1HD2 LEU 30 14.205 4.875 3.260
64 2HD2 LEU 30 2HD2 LEU 30 13.781 5.086 4.955
65 3HD2 LEU 30 3HD2 LEU 30 13.180 6.206 3.743
66 H ILE 31 H ILE 31 11.932 0.374 2.898
67 HA ILE 31 HA ILE 31 13.255 -1.630 4.459
68 HB ILE 31 HB ILE 31 11.144 -1.989 2.260
69 1HG1 ILE 31 2HG1 ILE 31 10.303 -0.328 3.909
70 2HG1 ILE 31 1HG1 ILE 31 9.415 -1.819 4.051
71 1HG2 ILE 31 1HG2 ILE 31 10.477 -4.023 3.546
72 2HG2 ILE 31 2HG2 ILE 31 11.800 -3.751 4.674
73 3HG2 ILE 31 3HG2 ILE 31 12.137 -4.137 3.000
74 1HD1 ILE 31 1HD1 ILE 31 10.777 -2.463 6.048
75 2HD1 ILE 31 2HD1 ILE 31 9.978 -0.925 6.285
76 3HD1 ILE 31 3HD1 ILE 31 11.695 -0.976 5.915
77 H GLU 32 H GLU 32 13.588 -0.545 1.311
78 HA GLU 32 HA GLU 32 15.112 -2.929 0.406
79 1HB GLU 32 2HB GLU 32 14.337 -0.341 -1.003
80 2HB GLU 32 1HB GLU 32 15.278 -1.606 -1.767
81 1HG GLU 32 2HG GLU 32 13.513 -3.171 -1.670
82 2HG GLU 32 1HG GLU 32 12.615 -2.249 -0.476
83 H ARG 33 H ARG 33 15.857 -0.511 2.256
84 HA ARG 33 HA ARG 33 18.548 -0.061 1.027
85 1HB ARG 33 2HB ARG 33 17.499 2.026 1.801
86 2HB ARG 33 1HB ARG 33 17.130 1.325 3.372
87 1HG ARG 33 2HG ARG 33 19.545 1.132 3.889
88 2HG ARG 33 1HG ARG 33 19.980 1.658 2.284
89 1HD ARG 33 2HD ARG 33 18.424 3.370 4.270
90 2HD ARG 33 1HD ARG 33 20.162 3.401 4.123
91 HE ARG 33 HE ARG 33 19.919 4.070 1.755
92 1HH1 ARG 33 1HH2 ARG 33 17.222 4.604 3.858
93 2HH1 ARG 33 2HH2 ARG 33 16.554 5.884 2.944
94 1HH2 ARG 33 2HH1 ARG 33 19.087 5.727 0.496
95 2HH2 ARG 33 1HH1 ARG 33 17.665 6.543 0.963
96 H GLN 34 H GLN 34 16.908 -1.102 3.867
97 HA GLN 34 HA GLN 34 18.714 -1.854 5.733
98 1HB GLN 34 2HB GLN 34 16.604 -3.804 4.650
99 2HB GLN 34 1HB GLN 34 17.368 -3.879 6.232
100 1HG GLN 34 2HG GLN 34 16.420 -1.495 6.651
101 2HG GLN 34 1HG GLN 34 15.541 -1.661 5.145
102 1HE2 GLN 34 1HE2 GLN 34 15.901 -4.434 7.393
103 2HE2 GLN 34 2HE2 GLN 34 14.250 -4.424 7.792
104 H ARG 35 H ARG 35 18.134 -4.310 3.170
105 HA ARG 35 HA ARG 35 20.804 -5.395 3.784
106 1HB ARG 35 2HB ARG 35 18.617 -6.807 3.428
107 2HB ARG 35 1HB ARG 35 18.885 -6.528 1.715
108 1HG ARG 35 2HG ARG 35 21.152 -7.572 1.878
109 2HG ARG 35 1HG ARG 35 20.939 -7.785 3.604
110 1HD ARG 35 2HD ARG 35 18.943 -9.240 3.155
111 2HD ARG 35 1HD ARG 35 19.230 -9.139 1.442
112 HE ARG 35 HE ARG 35 21.018 -10.398 3.492
113 1HH1 ARG 35 1HH2 ARG 35 20.174 -9.949 0.171
114 2HH1 ARG 35 2HH2 ARG 35 21.118 -11.251 -0.417
115 1HH2 ARG 35 2HH1 ARG 35 22.332 -12.077 2.781
116 2HH2 ARG 35 1HH1 ARG 35 22.417 -12.466 1.119
117 H TYR 36 H TYR 36 19.626 -3.120 1.757
118 HA TYR 36 HA TYR 36 21.868 -3.352 -0.140
119 1HB TYR 36 2HB TYR 36 18.933 -3.264 -0.715
120 2HB TYR 36 1HB TYR 36 19.858 -2.122 -1.657
121 HD1 TYR 36 HD1 TYR 36 22.099 -3.098 -2.683
122 HD2 TYR 36 HD2 TYR 36 18.726 -5.476 -1.632
123 HE1 TYR 36 HE1 TYR 36 22.841 -4.833 -4.231
124 HE2 TYR 36 HE2 TYR 36 19.477 -7.212 -3.190
125 HH TYR 36 HH TYR 36 21.741 -6.744 -5.561
126 1HT TYR 36 1HT TYR 36 22.701 -1.778 1.630
127 2HT TYR 36 2HT TYR 36 22.298 -0.139 1.418
Start of MODEL 2
1 1H ACE 24 1HA ACE 24 2.130 5.398 -4.693
2 2H ACE 24 2HA ACE 24 1.639 6.428 -3.349
3 3H ACE 24 3HA ACE 24 0.795 4.912 -3.648
4 H ALA 24 H ALA 24 1.365 3.371 -2.283
5 HA ALA 24 HA ALA 24 3.050 3.233 -0.214
6 1HB ALA 24 1HB ALA 24 1.592 1.321 -0.879
7 2HB ALA 24 2HB ALA 24 3.215 0.761 -0.527
8 3HB ALA 24 3HB ALA 24 2.691 0.924 -2.192
9 H ARG 25 H ARG 25 4.105 2.242 -3.337
10 HA ARG 25 HA ARG 25 6.632 1.427 -3.251
11 1HB ARG 25 2HB ARG 25 7.167 2.904 -5.282
12 2HB ARG 25 1HB ARG 25 5.761 1.879 -5.404
13 1HG ARG 25 2HG ARG 25 4.263 3.779 -4.848
14 2HG ARG 25 1HG ARG 25 5.637 4.844 -4.643
15 1HD ARG 25 2HD ARG 25 5.066 3.380 -7.267
16 2HD ARG 25 1HD ARG 25 4.444 4.975 -6.865
17 HE ARG 25 HE ARG 25 7.374 4.405 -6.680
18 1HH1 ARG 25 1HH2 ARG 25 4.772 6.176 -8.144
19 2HH1 ARG 25 2HH2 ARG 25 5.777 7.326 -8.900
20 1HH2 ARG 25 2HH1 ARG 25 8.740 5.903 -7.674
21 2HH2 ARG 25 1HH1 ARG 25 8.081 7.155 -8.627
22 H HIS 26 H HIS 26 5.952 4.822 -2.558
23 HA HIS 26 HA HIS 26 8.696 5.654 -2.394
24 1HB HIS 26 2HB HIS 26 6.265 6.809 -0.920
25 2HB HIS 26 1HB HIS 26 7.799 7.637 -1.170
26 HD1 HIS 26 HD1 HIS 26 4.696 6.675 -2.942
27 HD2 HIS 26 HD2 HIS 26 8.401 8.360 -3.799
28 HE1 HIS 26 HE1 HIS 26 4.628 7.684 -5.238
29 H TYR 27 H TYR 27 7.184 3.523 -0.522
30 HA TYR 27 HA TYR 27 8.958 3.921 1.841
31 1HB TYR 27 2HB TYR 27 6.084 3.211 1.570
32 2HB TYR 27 1HB TYR 27 6.975 2.083 2.580
33 HD1 TYR 27 HD1 TYR 27 7.036 5.824 2.052
34 HD2 TYR 27 HD2 TYR 27 6.854 2.600 4.830
35 HE1 TYR 27 HE1 TYR 27 7.002 7.419 3.917
36 HE2 TYR 27 HE2 TYR 27 6.821 4.192 6.679
37 HH TYR 27 HH TYR 27 6.244 6.554 7.095
38 H LYS 28 H LYS 28 9.167 2.567 -0.837
39 HA LYS 28 HA LYS 28 9.579 -0.278 -0.134
40 1HB LYS 28 2HB LYS 28 8.788 0.316 -2.435
41 2HB LYS 28 1HB LYS 28 10.229 1.268 -2.711
42 1HG LYS 28 2HG LYS 28 11.451 -1.045 -2.057
43 2HG LYS 28 1HG LYS 28 9.917 -1.744 -2.520
44 1HD LYS 28 2HD LYS 28 10.053 -0.660 -4.715
45 2HD LYS 28 1HD LYS 28 11.557 0.127 -4.274
46 1HE LYS 28 2HE LYS 28 11.068 -2.862 -4.721
47 2HE LYS 28 1HE LYS 28 12.265 -1.829 -5.504
48 1HZ LYS 28 HZ LYS 28 12.355 -2.615 -2.624
49 H ASN 29 H ASN 29 11.618 2.166 -1.618
50 HA ASN 29 HA ASN 29 14.172 1.286 -1.269
51 1HB ASN 29 2HB ASN 29 13.576 3.589 -2.119
52 2HB ASN 29 1HB ASN 29 13.338 4.121 -0.464
53 1HD2 ASN 29 1HD2 ASN 29 15.719 3.702 -2.907
54 2HD2 ASN 29 2HD2 ASN 29 17.079 3.885 -1.915
55 H LEU 30 H LEU 30 12.536 3.090 1.232
56 HA LEU 30 HA LEU 30 14.198 3.055 3.370
57 1HB LEU 30 2HB LEU 30 11.261 2.251 3.502
58 2HB LEU 30 1HB LEU 30 12.200 2.806 4.864
59 HG LEU 30 HG LEU 30 11.432 4.469 2.403
60 1HD1 LEU 30 1HD1 LEU 30 9.621 4.055 4.073
61 2HD1 LEU 30 2HD1 LEU 30 10.119 5.733 4.079
62 3HD1 LEU 30 3HD1 LEU 30 10.666 4.651 5.349
63 1HD2 LEU 30 1HD2 LEU 30 13.706 5.160 3.253
64 2HD2 LEU 30 2HD2 LEU 30 13.045 5.291 4.872
65 3HD2 LEU 30 3HD2 LEU 30 12.497 6.371 3.603
66 H ILE 31 H ILE 31 12.210 0.345 2.462
67 HA ILE 31 HA ILE 31 13.555 -1.396 4.437
68 HB ILE 31 HB ILE 31 11.185 -2.050 2.603
69 1HG1 ILE 31 2HG1 ILE 31 11.155 -0.976 5.477
70 2HG1 ILE 31 1HG1 ILE 31 10.662 -0.075 4.058
71 1HG2 ILE 31 1HG2 ILE 31 10.765 -3.869 4.284
72 2HG2 ILE 31 2HG2 ILE 31 12.159 -3.338 5.215
73 3HG2 ILE 31 3HG2 ILE 31 12.365 -4.028 3.620
74 1HD1 ILE 31 1HD1 ILE 31 9.289 -2.599 5.045
75 2HD1 ILE 31 2HD1 ILE 31 8.859 -1.701 3.598
76 3HD1 ILE 31 3HD1 ILE 31 8.687 -0.961 5.173
77 H GLU 32 H GLU 32 13.573 -0.687 1.172
78 HA GLU 32 HA GLU 32 14.896 -3.265 0.417
79 1HB GLU 32 2HB GLU 32 13.095 -2.213 -1.042
80 2HB GLU 32 1HB GLU 32 14.150 -0.859 -1.329
81 1HG GLU 32 2HG GLU 32 15.823 -2.379 -2.482
82 2HG GLU 32 1HG GLU 32 14.725 -3.733 -2.224
83 H ARG 33 H ARG 33 15.750 -0.779 1.977
84 HA ARG 33 HA ARG 33 18.350 -0.148 0.699
85 1HB ARG 33 2HB ARG 33 17.083 1.766 1.303
86 2HB ARG 33 1HB ARG 33 16.633 1.135 2.866
87 1HG ARG 33 2HG ARG 33 19.076 1.350 3.586
88 2HG ARG 33 1HG ARG 33 19.428 2.047 2.010
89 1HD ARG 33 2HD ARG 33 17.377 3.122 3.999
90 2HD ARG 33 1HD ARG 33 18.962 3.808 3.810
91 HE ARG 33 HE ARG 33 16.773 3.734 1.728
92 1HH1 ARG 33 1HH2 ARG 33 19.788 5.019 2.813
93 2HH1 ARG 33 2HH2 ARG 33 19.824 6.299 1.677
94 1HH2 ARG 33 2HH1 ARG 33 16.764 5.283 0.248
95 2HH2 ARG 33 1HH1 ARG 33 18.033 6.446 0.116
96 H GLN 34 H GLN 34 17.200 -0.599 3.917
97 HA GLN 34 HA GLN 34 19.355 -1.255 5.410
98 1HB GLN 34 2HB GLN 34 17.862 -2.753 6.755
99 2HB GLN 34 1HB GLN 34 17.106 -1.233 6.334
100 1HG GLN 34 2HG GLN 34 15.983 -2.414 4.360
101 2HG GLN 34 1HG GLN 34 16.579 -3.936 5.006
102 1HE2 GLN 34 1HE2 GLN 34 15.184 -4.918 6.493
103 2HE2 GLN 34 2HE2 GLN 34 13.986 -4.080 7.358
104 H ARG 35 H ARG 35 18.039 -3.473 3.083
105 HA ARG 35 HA ARG 35 19.878 -5.631 3.867
106 1HB ARG 35 2HB ARG 35 17.455 -6.050 3.313
107 2HB ARG 35 1HB ARG 35 17.742 -5.459 1.690
108 1HG ARG 35 2HG ARG 35 19.347 -7.380 1.308
109 2HG ARG 35 1HG ARG 35 18.964 -7.981 2.906
110 1HD ARG 35 2HD ARG 35 16.617 -8.346 2.232
111 2HD ARG 35 1HD ARG 35 16.870 -7.455 0.753
112 HE ARG 35 HE ARG 35 18.414 -9.136 -0.044
113 1HH1 ARG 35 1HH2 ARG 35 16.438 -10.098 2.633
114 2HH1 ARG 35 2HH2 ARG 35 16.560 -11.775 2.318
115 1HH2 ARG 35 2HH1 ARG 35 18.638 -11.296 -0.478
116 2HH2 ARG 35 1HH1 ARG 35 17.872 -12.480 0.492
117 H TYR 36 H TYR 36 20.742 -3.033 2.564
118 HA TYR 36 HA TYR 36 22.251 -4.171 0.280
119 1HB TYR 36 2HB TYR 36 20.447 -2.065 0.175
120 2HB TYR 36 1HB TYR 36 21.932 -1.193 0.479
121 HD1 TYR 36 HD1 TYR 36 20.326 -3.680 -1.750
122 HD2 TYR 36 HD2 TYR 36 23.530 -0.907 -1.319
123 HE1 TYR 36 HE1 TYR 36 20.879 -3.957 -4.113
124 HE2 TYR 36 HE2 TYR 36 24.076 -1.181 -3.688
125 HH TYR 36 HH TYR 36 23.757 -2.712 -5.530
126 1HT TYR 36 1HT TYR 36 23.173 -4.542 2.843
127 2HT TYR 36 2HT TYR 36 24.533 -3.555 3.124
Start of MODEL 3
1 1H ACE 24 1HA ACE 24 0.930 4.122 -2.139
2 2H ACE 24 2HA ACE 24 0.257 3.992 -0.517
3 3H ACE 24 3HA ACE 24 0.255 2.587 -1.586
4 H ALA 24 H ALA 24 1.822 1.142 -1.024
5 HA ALA 24 HA ALA 24 4.128 2.056 0.594
6 1HB ALA 24 1HB ALA 24 3.339 -0.743 -0.334
7 2HB ALA 24 2HB ALA 24 2.924 -0.031 1.225
8 3HB ALA 24 3HB ALA 24 4.605 -0.362 0.820
9 H ARG 25 H ARG 25 4.268 3.162 -1.811
10 HA ARG 25 HA ARG 25 6.236 1.556 -3.409
11 1HB ARG 25 2HB ARG 25 4.382 2.535 -4.734
12 2HB ARG 25 1HB ARG 25 4.712 4.134 -4.092
13 1HG ARG 25 2HG ARG 25 6.904 4.216 -5.195
14 2HG ARG 25 1HG ARG 25 6.785 2.541 -5.677
15 1HD ARG 25 2HD ARG 25 4.696 4.523 -6.596
16 2HD ARG 25 1HD ARG 25 6.223 4.473 -7.414
17 HE ARG 25 HE ARG 25 4.305 2.175 -7.106
18 1HH1 ARG 25 1HH2 ARG 25 6.949 3.646 -8.770
19 2HH1 ARG 25 2HH2 ARG 25 6.900 2.597 -10.121
20 1HH2 ARG 25 2HH1 ARG 25 4.258 0.683 -8.796
21 2HH2 ARG 25 1HH1 ARG 25 5.362 0.811 -10.096
22 H HIS 26 H HIS 26 5.852 4.923 -2.303
23 HA HIS 26 HA HIS 26 8.713 5.451 -2.483
24 1HB HIS 26 2HB HIS 26 6.488 6.977 -0.996
25 2HB HIS 26 1HB HIS 26 8.087 7.606 -1.351
26 HD1 HIS 26 HD1 HIS 26 5.620 9.017 -2.507
27 HD2 HIS 26 HD2 HIS 26 7.775 6.075 -4.506
28 HE1 HIS 26 HE1 HIS 26 5.248 9.254 -4.967
29 H TYR 27 H TYR 27 7.585 3.279 -0.683
30 HA TYR 27 HA TYR 27 9.317 3.866 1.636
31 1HB TYR 27 2HB TYR 27 6.464 2.941 1.519
32 2HB TYR 27 1HB TYR 27 7.473 1.930 2.539
33 HD1 TYR 27 HD1 TYR 27 7.256 5.649 1.902
34 HD2 TYR 27 HD2 TYR 27 7.305 2.508 4.784
35 HE1 TYR 27 HE1 TYR 27 7.121 7.292 3.713
36 HE2 TYR 27 HE2 TYR 27 7.168 4.159 6.581
37 HH TYR 27 HH TYR 27 7.762 6.559 6.899
38 H LYS 28 H LYS 28 9.122 2.326 -1.037
39 HA LYS 28 HA LYS 28 9.814 -0.421 -0.333
40 1HB LYS 28 2HB LYS 28 9.019 0.176 -2.647
41 2HB LYS 28 1HB LYS 28 10.447 1.151 -2.915
42 1HG LYS 28 2HG LYS 28 11.767 -1.040 -2.304
43 2HG LYS 28 1HG LYS 28 10.249 -1.869 -2.575
44 1HD LYS 28 2HD LYS 28 10.159 -1.081 -4.877
45 2HD LYS 28 1HD LYS 28 11.526 -0.011 -4.604
46 1HE LYS 28 2HE LYS 28 11.552 -3.074 -4.655
47 2HE LYS 28 1HE LYS 28 12.450 -1.973 -5.700
48 1HZ LYS 28 HZ LYS 28 13.689 -1.235 -3.618
49 H ASN 29 H ASN 29 11.779 2.062 -1.843
50 HA ASN 29 HA ASN 29 14.335 1.378 -1.474
51 1HB ASN 29 2HB ASN 29 13.159 4.102 -0.775
52 2HB ASN 29 1HB ASN 29 14.872 3.817 -1.059
53 1HD2 ASN 29 1HD2 ASN 29 15.459 4.170 -3.244
54 2HD2 ASN 29 2HD2 ASN 29 14.352 4.042 -4.532
55 H LEU 30 H LEU 30 12.530 2.898 1.111
56 HA LEU 30 HA LEU 30 14.484 2.854 3.142
57 1HB LEU 30 2HB LEU 30 11.442 2.716 3.260
58 2HB LEU 30 1HB LEU 30 12.420 2.836 4.703
59 HG LEU 30 HG LEU 30 13.400 4.989 3.908
60 1HD1 LEU 30 1HD1 LEU 30 12.402 6.188 1.982
61 2HD1 LEU 30 2HD1 LEU 30 11.447 4.787 1.561
62 3HD1 LEU 30 3HD1 LEU 30 13.206 4.740 1.442
63 1HD2 LEU 30 1HD2 LEU 30 11.404 5.052 5.335
64 2HD2 LEU 30 2HD2 LEU 30 10.357 4.934 3.932
65 3HD2 LEU 30 3HD2 LEU 30 11.344 6.363 4.177
66 H ILE 31 H ILE 31 11.953 0.501 2.495
67 HA ILE 31 HA ILE 31 12.997 -1.417 4.456
68 HB ILE 31 HB ILE 31 10.835 -1.655 2.309
69 1HG1 ILE 31 2HG1 ILE 31 10.246 0.164 3.861
70 2HG1 ILE 31 1HG1 ILE 31 9.168 -1.188 4.075
71 1HG2 ILE 31 1HG2 ILE 31 9.900 -3.513 3.689
72 2HG2 ILE 31 2HG2 ILE 31 11.285 -3.397 4.765
73 3HG2 ILE 31 3HG2 ILE 31 11.509 -3.882 3.100
74 1HD1 ILE 31 1HD1 ILE 31 10.456 -1.910 6.101
75 2HD1 ILE 31 2HD1 ILE 31 9.866 -0.269 6.262
76 3HD1 ILE 31 3HD1 ILE 31 11.552 -0.557 5.882
77 H GLU 32 H GLU 32 13.689 -0.528 1.346
78 HA GLU 32 HA GLU 32 14.903 -3.189 0.683
79 1HB GLU 32 2HB GLU 32 13.111 -2.036 -0.797
80 2HB GLU 32 1HB GLU 32 14.350 -0.884 -1.232
81 1HG GLU 32 2HG GLU 32 15.525 -2.415 -2.572
82 2HG GLU 32 1HG GLU 32 15.024 -3.805 -1.614
83 H ARG 33 H ARG 33 15.745 -0.605 2.186
84 HA ARG 33 HA ARG 33 18.419 -0.199 0.929
85 1HB ARG 33 2HB ARG 33 17.364 1.929 1.416
86 2HB ARG 33 1HB ARG 33 16.796 1.387 2.973
87 1HG ARG 33 2HG ARG 33 18.889 1.651 4.019
88 2HG ARG 33 1HG ARG 33 19.799 1.493 2.539
89 1HD ARG 33 2HD ARG 33 17.929 3.880 2.813
90 2HD ARG 33 1HD ARG 33 19.458 3.842 3.710
91 HE ARG 33 HE ARG 33 19.533 3.142 0.831
92 1HH1 ARG 33 1HH2 ARG 33 20.166 5.507 3.275
93 2HH1 ARG 33 2HH2 ARG 33 21.288 6.404 2.346
94 1HH2 ARG 33 2HH1 ARG 33 20.970 4.242 -0.430
95 2HH2 ARG 33 1HH1 ARG 33 21.740 5.664 0.131
96 H GLN 34 H GLN 34 16.834 -0.965 3.897
97 HA GLN 34 HA GLN 34 18.876 -1.484 5.690
98 1HB GLN 34 2HB GLN 34 17.449 -3.444 6.545
99 2HB GLN 34 1HB GLN 34 16.592 -1.929 6.383
100 1HG GLN 34 2HG GLN 34 15.558 -2.648 4.284
101 2HG GLN 34 1HG GLN 34 16.482 -4.122 4.230
102 1HE2 GLN 34 1HE2 GLN 34 15.728 -5.914 5.606
103 2HE2 GLN 34 2HE2 GLN 34 14.270 -5.756 6.464
104 H ARG 35 H ARG 35 17.915 -3.542 3.074
105 HA ARG 35 HA ARG 35 20.097 -5.455 3.513
106 1HB ARG 35 2HB ARG 35 17.824 -5.386 1.469
107 2HB ARG 35 1HB ARG 35 18.986 -6.687 1.595
108 1HG ARG 35 2HG ARG 35 18.232 -7.332 3.781
109 2HG ARG 35 1HG ARG 35 17.338 -5.866 4.031
110 1HD ARG 35 2HD ARG 35 15.661 -7.400 3.507
111 2HD ARG 35 1HD ARG 35 15.905 -6.664 1.930
112 HE ARG 35 HE ARG 35 17.572 -8.604 1.543
113 1HH1 ARG 35 1HH2 ARG 35 14.696 -8.859 3.458
114 2HH1 ARG 35 2HH2 ARG 35 14.550 -10.551 3.287
115 1HH2 ARG 35 2HH1 ARG 35 17.402 -10.829 1.245
116 2HH2 ARG 35 1HH1 ARG 35 16.098 -11.687 1.935
117 H TYR 36 H TYR 36 21.120 -3.109 2.999
118 HA TYR 36 HA TYR 36 22.109 -3.294 0.207
119 1HB TYR 36 2HB TYR 36 20.691 -1.248 0.666
120 2HB TYR 36 1HB TYR 36 21.864 -0.732 1.857
121 HD1 TYR 36 HD1 TYR 36 21.681 -1.842 -1.716
122 HD2 TYR 36 HD2 TYR 36 23.570 0.742 1.098
123 HE1 TYR 36 HE1 TYR 36 22.940 -0.784 -3.530
124 HE2 TYR 36 HE2 TYR 36 24.826 1.798 -0.730
125 HH TYR 36 HH TYR 36 25.122 0.497 -3.750
126 1HT TYR 36 1HT TYR 36 23.074 -2.233 3.500
127 2HT TYR 36 2HT TYR 36 24.726 -2.571 3.251
Start of MODEL 4
1 1H ACE 24 1HA ACE 24 1.883 4.050 -4.879
2 2H ACE 24 2HA ACE 24 0.798 4.748 -3.679
3 3H ACE 24 3HA ACE 24 0.737 3.018 -4.021
4 H ALA 24 H ALA 24 1.726 1.833 -2.448
5 HA ALA 24 HA ALA 24 3.592 3.129 -0.581
6 1HB ALA 24 1HB ALA 24 2.614 0.238 -0.735
7 2HB ALA 24 2HB ALA 24 1.861 1.503 0.232
8 3HB ALA 24 3HB ALA 24 3.485 0.950 0.608
9 H ARG 25 H ARG 25 4.585 3.177 -3.072
10 HA ARG 25 HA ARG 25 6.682 1.041 -3.206
11 1HB ARG 25 2HB ARG 25 5.304 1.758 -5.345
12 2HB ARG 25 1HB ARG 25 6.199 3.262 -5.282
13 1HG ARG 25 2HG ARG 25 7.488 1.895 -6.748
14 2HG ARG 25 1HG ARG 25 8.364 1.819 -5.233
15 1HD ARG 25 2HD ARG 25 6.709 -0.320 -4.838
16 2HD ARG 25 1HD ARG 25 6.661 -0.288 -6.573
17 HE ARG 25 HE ARG 25 9.148 -0.476 -4.918
18 1HH1 ARG 25 1HH2 ARG 25 7.475 -1.224 -7.883
19 2HH1 ARG 25 2HH2 ARG 25 8.728 -2.215 -8.479
20 1HH2 ARG 25 2HH1 ARG 25 10.774 -1.759 -5.654
21 2HH2 ARG 25 1HH1 ARG 25 10.696 -2.495 -7.193
22 H HIS 26 H HIS 26 6.146 4.485 -3.226
23 HA HIS 26 HA HIS 26 8.852 5.328 -3.085
24 1HB HIS 26 2HB HIS 26 6.603 6.698 -3.462
25 2HB HIS 26 1HB HIS 26 6.556 6.825 -1.713
26 HD1 HIS 26 HD1 HIS 26 9.373 7.462 -0.987
27 HD2 HIS 26 HD2 HIS 26 7.541 8.968 -4.399
28 HE1 HIS 26 HE1 HIS 26 10.556 9.562 -1.700
29 H TYR 27 H TYR 27 7.124 3.654 -0.904
30 HA TYR 27 HA TYR 27 8.864 4.402 1.413
31 1HB TYR 27 2HB TYR 27 6.010 3.977 1.153
32 2HB TYR 27 1HB TYR 27 6.661 2.739 2.212
33 HD1 TYR 27 HD1 TYR 27 7.471 6.376 1.631
34 HD2 TYR 27 HD2 TYR 27 6.420 3.377 4.475
35 HE1 TYR 27 HE1 TYR 27 7.635 8.018 3.426
36 HE2 TYR 27 HE2 TYR 27 6.581 5.042 6.270
37 HH TYR 27 HH TYR 27 6.627 8.293 5.757
38 H LYS 28 H LYS 28 9.211 2.544 -0.889
39 HA LYS 28 HA LYS 28 9.488 -0.125 0.358
40 1HB LYS 28 2HB LYS 28 8.813 -0.038 -1.974
41 2HB LYS 28 1HB LYS 28 10.180 0.968 -2.402
42 1HG LYS 28 2HG LYS 28 11.701 -0.974 -1.702
43 2HG LYS 28 1HG LYS 28 10.266 -1.978 -1.559
44 1HD LYS 28 2HD LYS 28 9.727 -1.701 -3.817
45 2HD LYS 28 1HD LYS 28 10.893 -0.372 -4.046
46 1HE LYS 28 2HE LYS 28 11.262 -3.341 -4.248
47 2HE LYS 28 1HE LYS 28 12.304 -2.074 -4.902
48 1HZ LYS 28 HZ LYS 28 12.396 -2.971 -2.084
49 H ASN 29 H ASN 29 11.646 2.145 -1.235
50 HA ASN 29 HA ASN 29 14.187 1.241 -0.776
51 1HB ASN 29 2HB ASN 29 13.685 3.470 -1.785
52 2HB ASN 29 1HB ASN 29 13.254 4.117 -0.216
53 1HD2 ASN 29 1HD2 ASN 29 15.858 3.991 -2.381
54 2HD2 ASN 29 2HD2 ASN 29 17.087 4.276 -1.251
55 H LEU 30 H LEU 30 12.440 3.083 1.580
56 HA LEU 30 HA LEU 30 13.929 3.242 3.820
57 1HB LEU 30 2HB LEU 30 11.013 2.429 3.591
58 2HB LEU 30 1HB LEU 30 11.742 2.792 5.127
59 HG LEU 30 HG LEU 30 10.481 4.692 4.146
60 1HD1 LEU 30 1HD1 LEU 30 13.447 5.237 4.551
61 2HD1 LEU 30 2HD1 LEU 30 12.217 5.155 5.799
62 3HD1 LEU 30 3HD1 LEU 30 12.174 6.442 4.614
63 1HD2 LEU 30 1HD2 LEU 30 12.707 4.894 2.063
64 2HD2 LEU 30 2HD2 LEU 30 11.411 6.038 2.310
65 3HD2 LEU 30 3HD2 LEU 30 11.035 4.438 1.726
66 H ILE 31 H ILE 31 12.282 0.410 2.785
67 HA ILE 31 HA ILE 31 13.452 -1.245 4.948
68 HB ILE 31 HB ILE 31 11.497 -2.070 2.738
69 1HG1 ILE 31 2HG1 ILE 31 10.879 -1.192 5.607
70 2HG1 ILE 31 1HG1 ILE 31 10.524 -0.267 4.168
71 1HG2 ILE 31 1HG2 ILE 31 12.766 -3.950 3.851
72 2HG2 ILE 31 2HG2 ILE 31 11.066 -4.009 4.236
73 3HG2 ILE 31 3HG2 ILE 31 12.205 -3.388 5.414
74 1HD1 ILE 31 1HD1 ILE 31 9.332 -3.004 4.780
75 2HD1 ILE 31 2HD1 ILE 31 9.014 -2.051 3.338
76 3HD1 ILE 31 3HD1 ILE 31 8.513 -1.464 4.912
77 H GLU 32 H GLU 32 13.075 -1.233 1.594
78 HA GLU 32 HA GLU 32 14.932 -3.280 0.931
79 1HB GLU 32 2HB GLU 32 13.111 -2.385 -0.533
80 2HB GLU 32 1HB GLU 32 14.038 -0.924 -0.769
81 1HG GLU 32 2HG GLU 32 15.830 -2.214 -1.961
82 2HG GLU 32 1HG GLU 32 14.927 -3.702 -1.689
83 H ARG 33 H ARG 33 15.738 -0.477 2.172
84 HA ARG 33 HA ARG 33 18.333 -0.149 0.743
85 1HB ARG 33 2HB ARG 33 16.900 1.882 1.498
86 2HB ARG 33 1HB ARG 33 17.265 1.454 3.150
87 1HG ARG 33 2HG ARG 33 19.681 1.779 2.767
88 2HG ARG 33 1HG ARG 33 19.433 1.947 1.044
89 1HD ARG 33 2HD ARG 33 19.723 4.156 1.913
90 2HD ARG 33 1HD ARG 33 18.043 4.005 1.481
91 HE ARG 33 HE ARG 33 19.183 3.848 4.257
92 1HH1 ARG 33 1HH2 ARG 33 16.454 4.406 2.175
93 2HH1 ARG 33 2HH2 ARG 33 15.487 5.101 3.388
94 1HH2 ARG 33 2HH1 ARG 33 17.889 4.637 5.912
95 2HH2 ARG 33 1HH1 ARG 33 16.289 5.173 5.588
96 H GLN 34 H GLN 34 16.922 -1.600 3.442
97 HA GLN 34 HA GLN 34 19.281 -1.799 5.122
98 1HB GLN 34 2HB GLN 34 16.694 -3.456 5.070
99 2HB GLN 34 1HB GLN 34 17.820 -3.325 6.416
100 1HG GLN 34 2HG GLN 34 17.382 -0.952 6.709
101 2HG GLN 34 1HG GLN 34 16.338 -0.921 5.295
102 1HE2 GLN 34 1HE2 GLN 34 14.462 -0.304 6.535
103 2HE2 GLN 34 2HE2 GLN 34 13.734 -1.414 7.609
104 H ARG 35 H ARG 35 18.055 -3.370 2.366
105 HA ARG 35 HA ARG 35 19.829 -5.720 2.593
106 1HB ARG 35 2HB ARG 35 17.902 -4.957 0.370
107 2HB ARG 35 1HB ARG 35 18.578 -6.534 0.671
108 1HG ARG 35 2HG ARG 35 16.574 -5.085 2.499
109 2HG ARG 35 1HG ARG 35 16.214 -6.431 1.456
110 1HD ARG 35 2HD ARG 35 16.428 -7.431 3.615
111 2HD ARG 35 1HD ARG 35 17.932 -7.785 2.815
112 HE ARG 35 HE ARG 35 19.019 -5.948 4.082
113 1HH1 ARG 35 1HH2 ARG 35 15.940 -6.992 5.328
114 2HH1 ARG 35 2HH2 ARG 35 16.246 -6.357 6.884
115 1HH2 ARG 35 2HH1 ARG 35 19.448 -5.157 5.980
116 2HH2 ARG 35 1HH1 ARG 35 18.337 -5.314 7.282
117 H TYR 36 H TYR 36 20.854 -2.993 2.363
118 HA TYR 36 HA TYR 36 22.371 -3.254 -0.166
119 1HB TYR 36 2HB TYR 36 20.811 -1.240 -0.065
120 2HB TYR 36 1HB TYR 36 21.680 -0.692 1.356
121 HD1 TYR 36 HD1 TYR 36 22.170 -1.498 -2.276
122 HD2 TYR 36 HD2 TYR 36 23.673 0.543 1.147
123 HE1 TYR 36 HE1 TYR 36 23.825 -0.362 -3.674
124 HE2 TYR 36 HE2 TYR 36 25.326 1.681 -0.267
125 HH TYR 36 HH TYR 36 26.140 0.718 -3.302
126 1HT TYR 36 1HT TYR 36 23.820 -4.656 1.261
127 2HT TYR 36 2HT TYR 36 24.909 -3.869 2.302
Start of MODEL 5
1 1H ACE 24 1HA ACE 24 2.710 7.749 0.147
2 2H ACE 24 2HA ACE 24 1.185 7.294 -0.617
3 3H ACE 24 3HA ACE 24 2.603 7.648 -1.609
4 H ALA 24 H ALA 24 0.814 5.210 -0.479
5 HA ALA 24 HA ALA 24 2.042 3.147 0.618
6 1HB ALA 24 1HB ALA 24 0.841 1.621 -0.939
7 2HB ALA 24 2HB ALA 24 0.548 2.973 -2.023
8 3HB ALA 24 3HB ALA 24 -0.165 2.958 -0.414
9 H ARG 25 H ARG 25 3.145 4.189 -2.465
10 HA ARG 25 HA ARG 25 4.998 1.852 -2.648
11 1HB ARG 25 2HB ARG 25 4.320 3.991 -4.712
12 2HB ARG 25 1HB ARG 25 5.471 2.696 -4.965
13 1HG ARG 25 2HG ARG 25 3.692 0.997 -4.551
14 2HG ARG 25 1HG ARG 25 2.511 2.274 -4.324
15 1HD ARG 25 2HD ARG 25 2.896 3.069 -6.667
16 2HD ARG 25 1HD ARG 25 4.160 1.886 -6.857
17 HE ARG 25 HE ARG 25 2.548 0.084 -6.683
18 1HH1 ARG 25 1HH2 ARG 25 1.191 3.228 -7.130
19 2HH1 ARG 25 2HH2 ARG 25 -0.279 2.667 -7.799
20 1HH2 ARG 25 2HH1 ARG 25 0.657 -0.720 -7.517
21 2HH2 ARG 25 1HH1 ARG 25 -0.597 0.324 -8.015
22 H HIS 26 H HIS 26 5.059 5.281 -2.063
23 HA HIS 26 HA HIS 26 7.926 5.529 -2.581
24 1HB HIS 26 2HB HIS 26 6.312 7.490 -2.768
25 2HB HIS 26 1HB HIS 26 6.029 7.383 -1.041
26 HD1 HIS 26 HD1 HIS 26 9.154 7.677 -3.224
27 HD2 HIS 26 HD2 HIS 26 7.489 9.123 0.301
28 HE1 HIS 26 HE1 HIS 26 10.725 9.314 -2.196
29 H TYR 27 H TYR 27 7.050 3.440 -0.739
30 HA TYR 27 HA TYR 27 8.810 4.163 1.552
31 1HB TYR 27 2HB TYR 27 6.034 3.857 1.786
32 2HB TYR 27 1HB TYR 27 6.629 2.255 2.227
33 HD1 TYR 27 HD1 TYR 27 8.907 2.364 3.735
34 HD2 TYR 27 HD2 TYR 27 5.923 5.409 3.612
35 HE1 TYR 27 HE1 TYR 27 9.688 3.218 5.888
36 HE2 TYR 27 HE2 TYR 27 6.711 6.249 5.772
37 HH TYR 27 HH TYR 27 8.792 6.207 7.106
38 H LYS 28 H LYS 28 8.785 2.659 -1.044
39 HA LYS 28 HA LYS 28 9.390 -0.133 -0.207
40 1HB LYS 28 2HB LYS 28 8.179 0.159 -2.334
41 2HB LYS 28 1HB LYS 28 9.444 1.184 -2.966
42 1HG LYS 28 2HG LYS 28 10.368 -1.524 -1.999
43 2HG LYS 28 1HG LYS 28 9.324 -1.550 -3.393
44 1HD LYS 28 2HD LYS 28 10.792 -0.088 -4.629
45 2HD LYS 28 1HD LYS 28 11.831 0.192 -3.260
46 1HE LYS 28 2HE LYS 28 11.415 -2.601 -4.383
47 2HE LYS 28 1HE LYS 28 12.743 -1.547 -4.864
48 1HZ LYS 28 HZ LYS 28 12.256 -2.263 -2.001
49 H ASN 29 H ASN 29 11.123 2.234 -2.142
50 HA ASN 29 HA ASN 29 13.669 1.363 -2.302
51 1HB ASN 29 2HB ASN 29 12.919 3.693 -2.923
52 2HB ASN 29 1HB ASN 29 13.093 4.190 -1.249
53 1HD2 ASN 29 1HD2 ASN 29 15.227 5.006 -0.779
54 2HD2 ASN 29 2HD2 ASN 29 16.586 4.595 -1.712
55 H LEU 30 H LEU 30 12.649 3.072 0.585
56 HA LEU 30 HA LEU 30 14.887 2.815 2.209
57 1HB LEU 30 2HB LEU 30 11.992 2.539 3.137
58 2HB LEU 30 1HB LEU 30 13.341 3.029 4.131
59 HG LEU 30 HG LEU 30 12.176 4.603 1.768
60 1HD1 LEU 30 1HD1 LEU 30 10.846 4.694 3.836
61 2HD1 LEU 30 2HD1 LEU 30 11.586 6.245 3.512
62 3HD1 LEU 30 3HD1 LEU 30 12.250 5.202 4.756
63 1HD2 LEU 30 1HD2 LEU 30 14.524 5.328 3.582
64 2HD2 LEU 30 2HD2 LEU 30 13.815 6.368 2.359
65 3HD2 LEU 30 3HD2 LEU 30 14.661 4.917 1.871
66 H ILE 31 H ILE 31 12.320 0.458 1.903
67 HA ILE 31 HA ILE 31 13.263 -1.415 3.826
68 HB ILE 31 HB ILE 31 11.799 -2.119 1.210
69 1HG1 ILE 31 2HG1 ILE 31 10.595 -0.187 2.204
70 2HG1 ILE 31 1HG1 ILE 31 9.634 -1.629 2.253
71 1HG2 ILE 31 1HG2 ILE 31 11.621 -3.357 4.002
72 2HG2 ILE 31 2HG2 ILE 31 12.428 -4.076 2.624
73 3HG2 ILE 31 3HG2 ILE 31 10.688 -3.866 2.607
74 1HD1 ILE 31 1HD1 ILE 31 10.199 -1.931 4.673
75 2HD1 ILE 31 2HD1 ILE 31 9.449 -0.383 4.371
76 3HD1 ILE 31 3HD1 ILE 31 11.185 -0.473 4.616
77 H GLU 32 H GLU 32 14.585 -0.566 0.904
78 HA GLU 32 HA GLU 32 16.163 -3.111 0.712
79 1HB GLU 32 2HB GLU 32 15.713 -0.823 -1.278
80 2HB GLU 32 1HB GLU 32 16.735 -2.214 -1.591
81 1HG GLU 32 2HG GLU 32 14.848 -3.743 -1.441
82 2HG GLU 32 1HG GLU 32 13.815 -2.533 -0.706
83 H ARG 33 H ARG 33 16.433 -0.991 2.634
84 HA ARG 33 HA ARG 33 19.180 0.034 2.097
85 1HB ARG 33 2HB ARG 33 17.313 1.582 2.997
86 2HB ARG 33 1HB ARG 33 17.321 0.646 4.465
87 1HG ARG 33 2HG ARG 33 18.800 2.363 5.059
88 2HG ARG 33 1HG ARG 33 19.900 1.103 4.562
89 1HD ARG 33 2HD ARG 33 20.646 3.095 3.472
90 2HD ARG 33 1HD ARG 33 19.896 2.138 2.213
91 HE ARG 33 HE ARG 33 17.797 3.417 2.565
92 1HH1 ARG 33 1HH2 ARG 33 20.785 4.826 3.644
93 2HH1 ARG 33 2HH2 ARG 33 20.203 6.427 3.613
94 1HH2 ARG 33 2HH1 ARG 33 17.001 5.530 2.527
95 2HH2 ARG 33 1HH1 ARG 33 18.021 6.838 2.940
96 H GLN 34 H GLN 34 17.241 -1.437 4.522
97 HA GLN 34 HA GLN 34 19.054 -2.305 6.423
98 1HB GLN 34 2HB GLN 34 16.470 -2.626 6.355
99 2HB GLN 34 1HB GLN 34 16.763 -4.095 5.441
100 1HG GLN 34 2HG GLN 34 16.637 -4.853 7.723
101 2HG GLN 34 1HG GLN 34 18.365 -4.755 7.442
102 1HE2 GLN 34 1HE2 GLN 34 16.091 -3.938 9.690
103 2HE2 GLN 34 2HE2 GLN 34 16.873 -2.602 10.400
104 H ARG 35 H ARG 35 18.222 -4.117 3.500
105 HA ARG 35 HA ARG 35 20.279 -6.119 4.064
106 1HB ARG 35 2HB ARG 35 17.974 -6.577 2.951
107 2HB ARG 35 1HB ARG 35 18.622 -5.823 1.507
108 1HG ARG 35 2HG ARG 35 20.494 -7.520 1.471
109 2HG ARG 35 1HG ARG 35 19.802 -8.311 2.862
110 1HD ARG 35 2HD ARG 35 18.601 -8.031 0.088
111 2HD ARG 35 1HD ARG 35 19.075 -9.543 0.882
112 HE ARG 35 HE ARG 35 17.271 -8.556 2.639
113 1HH1 ARG 35 1HH2 ARG 35 17.113 -8.978 -0.775
114 2HH1 ARG 35 2HH2 ARG 35 15.413 -9.173 -0.840
115 1HH2 ARG 35 2HH1 ARG 35 15.065 -8.791 2.661
116 2HH2 ARG 35 1HH1 ARG 35 14.199 -9.043 1.206
117 H TYR 36 H TYR 36 21.360 -3.583 3.880
118 HA TYR 36 HA TYR 36 23.146 -3.923 1.572
119 1HB TYR 36 2HB TYR 36 21.335 -2.093 1.076
120 2HB TYR 36 1HB TYR 36 22.058 -1.168 2.386
121 HD1 TYR 36 HD1 TYR 36 23.195 -3.116 -0.620
122 HD2 TYR 36 HD2 TYR 36 23.724 0.390 1.749
123 HE1 TYR 36 HE1 TYR 36 24.937 -2.353 -2.140
124 HE2 TYR 36 HE2 TYR 36 25.485 1.147 0.209
125 HH TYR 36 HH TYR 36 26.716 -0.846 -2.357
126 1HT TYR 36 1HT TYR 36 24.993 -1.968 2.092
127 2HT TYR 36 2HT TYR 36 25.558 -2.099 3.691
Start of MODEL 6
1 1H ACE 24 1HA ACE 24 0.852 4.161 -2.485
2 2H ACE 24 2HA ACE 24 1.978 4.852 -3.647
3 3H ACE 24 3HA ACE 24 1.732 5.635 -2.086
4 H ALA 24 H ALA 24 1.633 2.497 -1.438
5 HA ALA 24 HA ALA 24 3.640 2.064 0.253
6 1HB ALA 24 1HB ALA 24 2.031 0.287 -0.393
7 2HB ALA 24 2HB ALA 24 3.665 -0.341 -0.436
8 3HB ALA 24 3HB ALA 24 2.851 0.072 -1.930
9 H ARG 25 H ARG 25 4.195 1.419 -3.089
10 HA ARG 25 HA ARG 25 6.872 0.686 -3.166
11 1HB ARG 25 2HB ARG 25 5.444 2.544 -5.149
12 2HB ARG 25 1HB ARG 25 6.962 1.741 -5.477
13 1HG ARG 25 2HG ARG 25 5.926 -0.487 -5.302
14 2HG ARG 25 1HG ARG 25 4.404 0.204 -4.783
15 1HD ARG 25 2HD ARG 25 4.182 1.345 -7.074
16 2HD ARG 25 1HD ARG 25 5.706 0.580 -7.531
17 HE ARG 25 HE ARG 25 3.476 -1.159 -6.614
18 1HH1 ARG 25 1HH2 ARG 25 5.356 -0.011 -9.283
19 2HH1 ARG 25 2HH2 ARG 25 4.902 -1.266 -10.343
20 1HH2 ARG 25 2HH1 ARG 25 2.840 -2.804 -7.945
21 2HH2 ARG 25 1HH1 ARG 25 3.379 -2.920 -9.570
22 H HIS 26 H HIS 26 5.661 4.005 -3.084
23 HA HIS 26 HA HIS 26 8.230 5.276 -3.172
24 1HB HIS 26 2HB HIS 26 5.555 6.279 -2.090
25 2HB HIS 26 1HB HIS 26 6.971 7.294 -2.297
26 HD1 HIS 26 HD1 HIS 26 4.387 5.491 -4.298
27 HD2 HIS 26 HD2 HIS 26 7.705 7.936 -4.840
28 HE1 HIS 26 HE1 HIS 26 4.463 6.270 -6.692
29 H TYR 27 H TYR 27 7.040 3.448 -0.820
30 HA TYR 27 HA TYR 27 8.732 4.675 1.314
31 1HB TYR 27 2HB TYR 27 6.005 3.381 1.412
32 2HB TYR 27 1HB TYR 27 7.088 3.146 2.757
33 HD1 TYR 27 HD1 TYR 27 5.969 6.026 0.568
34 HD2 TYR 27 HD2 TYR 27 6.872 4.677 4.503
35 HE1 TYR 27 HE1 TYR 27 5.370 8.229 1.472
36 HE2 TYR 27 HE2 TYR 27 6.273 6.864 5.394
37 HH TYR 27 HH TYR 27 5.175 8.864 4.899
38 H LYS 28 H LYS 28 9.008 2.620 -0.874
39 HA LYS 28 HA LYS 28 9.601 0.110 0.573
40 1HB LYS 28 2HB LYS 28 8.769 -0.014 -1.751
41 2HB LYS 28 1HB LYS 28 10.147 0.904 -2.329
42 1HG LYS 28 2HG LYS 28 11.674 -0.918 -1.478
43 2HG LYS 28 1HG LYS 28 10.283 -1.847 -0.976
44 1HD LYS 28 2HD LYS 28 9.536 -2.122 -3.253
45 2HD LYS 28 1HD LYS 28 10.659 -0.901 -3.824
46 1HE LYS 28 2HE LYS 28 11.470 -3.597 -2.579
47 2HE LYS 28 1HE LYS 28 11.567 -3.201 -4.295
48 1HZ LYS 28 HZ LYS 28 13.160 -1.343 -3.610
49 H ASN 29 H ASN 29 11.389 2.556 -1.182
50 HA ASN 29 HA ASN 29 14.025 1.970 -1.097
51 1HB ASN 29 2HB ASN 29 13.276 4.226 -1.720
52 2HB ASN 29 1HB ASN 29 12.893 4.608 -0.050
53 1HD2 ASN 29 1HD2 ASN 29 14.608 5.608 1.096
54 2HD2 ASN 29 2HD2 ASN 29 16.234 5.556 0.588
55 H LEU 30 H LEU 30 12.526 3.414 1.677
56 HA LEU 30 HA LEU 30 14.467 3.392 3.619
57 1HB LEU 30 2HB LEU 30 11.546 2.606 4.030
58 2HB LEU 30 1HB LEU 30 12.624 3.189 5.278
59 HG LEU 30 HG LEU 30 11.808 4.818 2.795
60 1HD1 LEU 30 1HD1 LEU 30 10.907 5.009 5.706
61 2HD1 LEU 30 2HD1 LEU 30 9.922 4.424 4.376
62 3HD1 LEU 30 3HD1 LEU 30 10.443 6.098 4.409
63 1HD2 LEU 30 1HD2 LEU 30 13.309 5.615 5.351
64 2HD2 LEU 30 2HD2 LEU 30 12.876 6.695 4.038
65 3HD2 LEU 30 3HD2 LEU 30 14.077 5.445 3.783
66 H ILE 31 H ILE 31 12.407 0.716 2.810
67 HA ILE 31 HA ILE 31 13.758 -1.073 4.689
68 HB ILE 31 HB ILE 31 11.645 -1.733 2.555
69 1HG1 ILE 31 2HG1 ILE 31 11.254 -1.005 5.516
70 2HG1 ILE 31 1HG1 ILE 31 10.897 0.065 4.182
71 1HG2 ILE 31 1HG2 ILE 31 12.420 -3.207 5.145
72 2HG2 ILE 31 2HG2 ILE 31 12.864 -3.733 3.531
73 3HG2 ILE 31 3HG2 ILE 31 11.183 -3.713 4.010
74 1HD1 ILE 31 1HD1 ILE 31 8.841 -1.028 4.931
75 2HD1 ILE 31 2HD1 ILE 31 9.515 -2.612 4.627
76 3HD1 ILE 31 3HD1 ILE 31 9.218 -1.506 3.290
77 H GLU 32 H GLU 32 13.521 -0.567 1.351
78 HA GLU 32 HA GLU 32 14.964 -2.732 0.316
79 1HB GLU 32 2HB GLU 32 14.093 -0.326 -0.841
80 2HB GLU 32 1HB GLU 32 15.828 -0.093 -0.886
81 1HG GLU 32 2HG GLU 32 15.247 -1.178 -2.995
82 2HG GLU 32 1HG GLU 32 15.943 -2.457 -2.017
83 H ARG 33 H ARG 33 16.028 0.043 1.594
84 HA ARG 33 HA ARG 33 18.866 -0.009 1.436
85 1HB ARG 33 2HB ARG 33 17.181 1.814 2.432
86 2HB ARG 33 1HB ARG 33 17.303 0.911 3.912
87 1HG ARG 33 2HG ARG 33 18.802 2.757 4.124
88 2HG ARG 33 1HG ARG 33 19.786 1.322 3.954
89 1HD ARG 33 2HD ARG 33 20.193 1.854 1.526
90 2HD ARG 33 1HD ARG 33 19.054 3.170 1.633
91 HE ARG 33 HE ARG 33 20.538 4.421 3.025
92 1HH1 ARG 33 1HH2 ARG 33 21.934 1.448 1.872
93 2HH1 ARG 33 2HH2 ARG 33 23.544 1.921 2.158
94 1HH2 ARG 33 2HH1 ARG 33 22.631 5.083 3.430
95 2HH2 ARG 33 1HH1 ARG 33 23.939 4.045 3.080
96 H GLN 34 H GLN 34 16.845 -1.649 3.634
97 HA GLN 34 HA GLN 34 18.843 -2.639 5.431
98 1HB GLN 34 2HB GLN 34 16.159 -3.914 4.706
99 2HB GLN 34 1HB GLN 34 17.108 -4.233 6.151
100 1HG GLN 34 2HG GLN 34 16.781 -1.888 6.916
101 2HG GLN 34 1HG GLN 34 15.954 -1.481 5.424
102 1HE2 GLN 34 1HE2 GLN 34 15.282 -4.609 7.051
103 2HE2 GLN 34 2HE2 GLN 34 13.723 -4.131 7.528
104 H ARG 35 H ARG 35 18.062 -3.595 2.196
105 HA ARG 35 HA ARG 35 19.247 -6.257 2.587
106 1HB ARG 35 2HB ARG 35 17.244 -6.019 1.185
107 2HB ARG 35 1HB ARG 35 18.064 -4.869 0.148
108 1HG ARG 35 2HG ARG 35 19.393 -6.470 -0.892
109 2HG ARG 35 1HG ARG 35 19.329 -7.600 0.440
110 1HD ARG 35 2HD ARG 35 16.970 -6.895 -1.355
111 2HD ARG 35 1HD ARG 35 17.959 -8.295 -1.640
112 HE ARG 35 HE ARG 35 16.062 -7.834 0.588
113 1HH1 ARG 35 1HH2 ARG 35 18.594 -9.731 -0.718
114 2HH1 ARG 35 2HH2 ARG 35 18.216 -11.177 0.121
115 1HH2 ARG 35 2HH1 ARG 35 15.492 -9.666 1.791
116 2HH2 ARG 35 1HH1 ARG 35 16.383 -11.127 1.653
117 H TYR 36 H TYR 36 20.946 -3.906 2.968
118 HA TYR 36 HA TYR 36 22.778 -4.122 0.663
119 1HB TYR 36 2HB TYR 36 22.074 -1.897 2.034
120 2HB TYR 36 1HB TYR 36 23.358 -2.415 3.109
121 HD1 TYR 36 HD1 TYR 36 22.690 -2.063 -0.546
122 HD2 TYR 36 HD2 TYR 36 25.568 -1.615 2.563
123 HE1 TYR 36 HE1 TYR 36 24.289 -1.157 -2.161
124 HE2 TYR 36 HE2 TYR 36 27.164 -0.708 0.936
125 HH TYR 36 HH TYR 36 27.011 -1.064 -2.208
126 1HT TYR 36 1HT TYR 36 25.252 -4.400 1.415
127 2HT TYR 36 2HT TYR 36 25.501 -5.589 2.615
Start of MODEL 7
1 1H ACE 24 1HA ACE 24 1.301 -0.927 -1.135
2 2H ACE 24 2HA ACE 24 1.156 -0.347 -2.798
3 3H ACE 24 3HA ACE 24 -0.132 -0.029 -1.637
4 H ALA 24 H ALA 24 2.587 0.310 0.118
5 HA ALA 24 HA ALA 24 2.476 3.256 -0.011
6 1HB ALA 24 1HB ALA 24 3.937 3.099 1.994
7 2HB ALA 24 2HB ALA 24 4.067 1.365 1.779
8 3HB ALA 24 3HB ALA 24 2.509 2.090 2.175
9 H ARG 25 H ARG 25 3.278 2.511 -2.284
10 HA ARG 25 HA ARG 25 5.546 1.876 -3.395
11 1HB ARG 25 2HB ARG 25 3.928 3.151 -4.644
12 2HB ARG 25 1HB ARG 25 4.233 4.607 -3.720
13 1HG ARG 25 2HG ARG 25 6.634 4.606 -4.689
14 2HG ARG 25 1HG ARG 25 6.155 3.262 -5.701
15 1HD ARG 25 2HD ARG 25 4.731 5.971 -5.648
16 2HD ARG 25 1HD ARG 25 5.997 5.541 -6.783
17 HE ARG 25 HE ARG 25 3.491 3.915 -6.483
18 1HH1 ARG 25 1HH2 ARG 25 5.692 5.639 -8.551
19 2HH1 ARG 25 2HH2 ARG 25 4.916 5.157 -9.997
20 1HH2 ARG 25 2HH1 ARG 25 2.475 3.252 -8.356
21 2HH2 ARG 25 1HH1 ARG 25 3.057 3.760 -9.876
22 H HIS 26 H HIS 26 5.618 5.192 -2.315
23 HA HIS 26 HA HIS 26 8.384 5.574 -2.437
24 1HB HIS 26 2HB HIS 26 6.298 6.976 -0.688
25 2HB HIS 26 1HB HIS 26 7.903 7.609 -1.033
26 HD1 HIS 26 HD1 HIS 26 8.426 7.645 -3.740
27 HD2 HIS 26 HD2 HIS 26 4.446 7.673 -2.536
28 HE1 HIS 26 HE1 HIS 26 7.013 8.445 -5.635
29 H TYR 27 H TYR 27 7.228 3.400 -0.370
30 HA TYR 27 HA TYR 27 9.373 3.976 1.600
31 1HB TYR 27 2HB TYR 27 6.579 2.857 1.852
32 2HB TYR 27 1HB TYR 27 7.755 2.082 2.880
33 HD1 TYR 27 HD1 TYR 27 9.331 3.811 4.226
34 HD2 TYR 27 HD2 TYR 27 5.470 4.781 2.707
35 HE1 TYR 27 HE1 TYR 27 9.164 5.649 5.826
36 HE2 TYR 27 HE2 TYR 27 5.312 6.622 4.318
37 HH TYR 27 HH TYR 27 7.733 7.205 6.791
38 H LYS 28 H LYS 28 8.794 2.236 -0.922
39 HA LYS 28 HA LYS 28 9.718 -0.436 -0.259
40 1HB LYS 28 2HB LYS 28 8.708 0.153 -2.495
41 2HB LYS 28 1HB LYS 28 10.184 0.987 -2.931
42 1HG LYS 28 2HG LYS 28 11.016 -1.606 -1.938
43 2HG LYS 28 1HG LYS 28 9.600 -1.898 -2.918
44 1HD LYS 28 2HD LYS 28 10.542 -0.794 -4.807
45 2HD LYS 28 1HD LYS 28 11.948 -0.252 -3.906
46 1HE LYS 28 2HE LYS 28 11.241 -3.175 -4.470
47 2HE LYS 28 1HE LYS 28 12.553 -2.271 -5.218
48 1HZ LYS 28 HZ LYS 28 12.388 -2.899 -2.301
49 H ASN 29 H ASN 29 11.426 2.211 -1.787
50 HA ASN 29 HA ASN 29 14.025 1.519 -1.869
51 1HB ASN 29 2HB ASN 29 12.827 4.133 -0.891
52 2HB ASN 29 1HB ASN 29 14.563 3.966 -1.077
53 1HD2 ASN 29 1HD2 ASN 29 15.392 4.105 -3.193
54 2HD2 ASN 29 2HD2 ASN 29 14.396 4.264 -4.563
55 H LEU 30 H LEU 30 12.534 2.713 1.070
56 HA LEU 30 HA LEU 30 14.757 2.495 2.796
57 1HB LEU 30 2HB LEU 30 11.770 2.334 3.337
58 2HB LEU 30 1HB LEU 30 12.940 2.210 4.628
59 HG LEU 30 HG LEU 30 12.067 4.539 4.334
60 1HD1 LEU 30 1HD1 LEU 30 14.263 5.670 4.457
61 2HD1 LEU 30 2HD1 LEU 30 15.078 4.267 3.801
62 3HD1 LEU 30 3HD1 LEU 30 14.298 4.176 5.370
63 1HD2 LEU 30 1HD2 LEU 30 11.837 4.564 1.851
64 2HD2 LEU 30 2HD2 LEU 30 13.590 4.506 1.677
65 3HD2 LEU 30 3HD2 LEU 30 12.825 5.897 2.406
66 H ILE 31 H ILE 31 12.211 0.133 2.120
67 HA ILE 31 HA ILE 31 13.189 -1.870 3.892
68 HB ILE 31 HB ILE 31 11.827 -2.337 1.178
69 1HG1 ILE 31 2HG1 ILE 31 10.385 -0.797 2.395
70 2HG1 ILE 31 1HG1 ILE 31 9.643 -2.374 2.433
71 1HG2 ILE 31 1HG2 ILE 31 10.969 -4.432 2.239
72 2HG2 ILE 31 2HG2 ILE 31 11.857 -4.058 3.708
73 3HG2 ILE 31 3HG2 ILE 31 12.722 -4.415 2.230
74 1HD1 ILE 31 1HD1 ILE 31 11.231 -1.127 4.722
75 2HD1 ILE 31 2HD1 ILE 31 10.526 -2.737 4.750
76 3HD1 ILE 31 3HD1 ILE 31 9.489 -1.325 4.649
77 H GLU 32 H GLU 32 13.923 -0.959 0.735
78 HA GLU 32 HA GLU 32 15.987 -3.059 0.383
79 1HB GLU 32 2HB GLU 32 14.787 -0.942 -1.418
80 2HB GLU 32 1HB GLU 32 16.356 -1.577 -1.861
81 1HG GLU 32 2HG GLU 32 15.531 -3.802 -2.127
82 2HG GLU 32 1HG GLU 32 14.045 -3.460 -1.246
83 H ARG 33 H ARG 33 16.028 -0.449 2.093
84 HA ARG 33 HA ARG 33 18.768 0.436 1.314
85 1HB ARG 33 2HB ARG 33 16.979 2.220 1.754
86 2HB ARG 33 1HB ARG 33 16.860 1.649 3.401
87 1HG ARG 33 2HG ARG 33 18.326 3.548 3.514
88 2HG ARG 33 1HG ARG 33 19.355 2.153 3.701
89 1HD ARG 33 2HD ARG 33 19.604 2.385 1.019
90 2HD ARG 33 1HD ARG 33 19.088 4.024 1.335
91 HE ARG 33 HE ARG 33 21.462 2.682 2.592
92 1HH1 ARG 33 1HH2 ARG 33 19.945 5.600 1.429
93 2HH1 ARG 33 2HH2 ARG 33 21.317 6.576 1.722
94 1HH2 ARG 33 2HH1 ARG 33 23.257 3.958 2.976
95 2HH2 ARG 33 1HH1 ARG 33 23.243 5.629 2.619
96 H GLN 34 H GLN 34 16.956 -1.124 3.765
97 HA GLN 34 HA GLN 34 19.303 -1.339 5.594
98 1HB GLN 34 2HB GLN 34 16.553 -1.181 6.082
99 2HB GLN 34 1HB GLN 34 16.834 -2.892 6.306
100 1HG GLN 34 2HG GLN 34 18.268 -0.627 7.780
101 2HG GLN 34 1HG GLN 34 17.032 -1.646 8.470
102 1HE2 GLN 34 1HE2 GLN 34 17.783 -3.617 9.483
103 2HE2 GLN 34 2HE2 GLN 34 19.405 -4.121 9.365
104 H ARG 35 H ARG 35 17.580 -3.363 3.324
105 HA ARG 35 HA ARG 35 19.038 -5.726 4.258
106 1HB ARG 35 2HB ARG 35 16.670 -6.006 3.705
107 2HB ARG 35 1HB ARG 35 16.908 -5.346 2.112
108 1HG ARG 35 2HG ARG 35 16.563 -7.741 1.911
109 2HG ARG 35 1HG ARG 35 18.215 -7.411 1.475
110 1HD ARG 35 2HD ARG 35 17.544 -8.290 4.338
111 2HD ARG 35 1HD ARG 35 17.753 -9.454 3.020
112 HE ARG 35 HE ARG 35 19.844 -7.411 3.393
113 1HH1 ARG 35 1HH2 ARG 35 19.000 -10.727 3.787
114 2HH1 ARG 35 2HH2 ARG 35 20.626 -11.248 3.931
115 1HH2 ARG 35 2HH1 ARG 35 21.878 -7.958 3.526
116 2HH2 ARG 35 1HH1 ARG 35 22.350 -9.576 3.812
117 H TYR 36 H TYR 36 19.299 -3.573 1.656
118 HA TYR 36 HA TYR 36 21.354 -5.314 0.406
119 1HB TYR 36 2HB TYR 36 20.033 -2.860 -0.860
120 2HB TYR 36 1HB TYR 36 21.059 -4.035 -1.647
121 HD1 TYR 36 HD1 TYR 36 17.899 -4.107 0.422
122 HD2 TYR 36 HD2 TYR 36 19.948 -5.591 -3.001
123 HE1 TYR 36 HE1 TYR 36 15.941 -5.440 -0.169
124 HE2 TYR 36 HE2 TYR 36 17.983 -6.905 -3.591
125 HH TYR 36 HH TYR 36 15.876 -7.506 -3.026
126 1HT TYR 36 1HT TYR 36 23.361 -4.069 -0.449
127 2HT TYR 36 2HT TYR 36 23.885 -2.763 0.503
Start of MODEL 8
1 1H ACE 24 1HA ACE 24 1.101 -1.207 -3.198
2 2H ACE 24 2HA ACE 24 2.283 -1.962 -2.134
3 3H ACE 24 3HA ACE 24 2.662 -1.724 -3.845
4 H ALA 24 H ALA 24 3.251 -0.478 -0.832
5 HA ALA 24 HA ALA 24 3.209 2.368 -1.575
6 1HB ALA 24 1HB ALA 24 2.774 1.654 0.768
7 2HB ALA 24 2HB ALA 24 4.187 2.691 0.695
8 3HB ALA 24 3HB ALA 24 4.387 0.961 0.858
9 H ARG 25 H ARG 25 4.588 1.348 -3.464
10 HA ARG 25 HA ARG 25 7.259 0.759 -3.466
11 1HB ARG 25 2HB ARG 25 7.442 2.019 -5.623
12 2HB ARG 25 1HB ARG 25 6.059 0.950 -5.550
13 1HG ARG 25 2HG ARG 25 4.570 2.919 -5.008
14 2HG ARG 25 1HG ARG 25 5.947 3.999 -5.144
15 1HD ARG 25 2HD ARG 25 4.933 2.239 -7.408
16 2HD ARG 25 1HD ARG 25 4.615 3.948 -7.224
17 HE ARG 25 HE ARG 25 7.374 2.768 -7.465
18 1HH1 ARG 25 1HH2 ARG 25 5.134 5.306 -8.263
19 2HH1 ARG 25 2HH2 ARG 25 6.256 6.192 -9.196
20 1HH2 ARG 25 2HH1 ARG 25 8.863 3.912 -8.679
21 2HH2 ARG 25 1HH1 ARG 25 8.412 5.372 -9.434
22 H HIS 26 H HIS 26 6.046 4.047 -3.241
23 HA HIS 26 HA HIS 26 8.577 5.337 -3.127
24 1HB HIS 26 2HB HIS 26 7.181 7.259 -2.110
25 2HB HIS 26 1HB HIS 26 6.620 6.668 -3.659
26 HD1 HIS 26 HD1 HIS 26 4.309 7.691 -2.836
27 HD2 HIS 26 HD2 HIS 26 5.595 4.341 -0.739
28 HE1 HIS 26 HE1 HIS 26 2.399 6.728 -1.564
29 H TYR 27 H TYR 27 7.266 3.453 -0.839
30 HA TYR 27 HA TYR 27 9.027 4.585 1.279
31 1HB TYR 27 2HB TYR 27 6.262 3.319 1.438
32 2HB TYR 27 1HB TYR 27 7.366 3.272 2.785
33 HD1 TYR 27 HD1 TYR 27 8.574 5.731 3.166
34 HD2 TYR 27 HD2 TYR 27 4.688 5.158 1.513
35 HE1 TYR 27 HE1 TYR 27 7.974 8.007 3.784
36 HE2 TYR 27 HE2 TYR 27 4.101 7.448 2.140
37 HH TYR 27 HH TYR 27 5.203 9.144 4.208
38 H LYS 28 H LYS 28 9.099 2.522 -0.914
39 HA LYS 28 HA LYS 28 9.584 -0.042 0.398
40 1HB LYS 28 2HB LYS 28 8.943 0.231 -2.071
41 2HB LYS 28 1HB LYS 28 10.538 0.883 -2.373
42 1HG LYS 28 2HG LYS 28 11.472 -1.278 -1.374
43 2HG LYS 28 1HG LYS 28 9.846 -1.919 -1.352
44 1HD LYS 28 2HD LYS 28 9.658 -1.759 -3.772
45 2HD LYS 28 1HD LYS 28 11.148 -0.842 -3.882
46 1HE LYS 28 2HE LYS 28 10.786 -3.831 -3.293
47 2HE LYS 28 1HE LYS 28 11.810 -3.072 -4.503
48 1HZ LYS 28 HZ LYS 28 12.328 -3.025 -1.580
49 H ASN 29 H ASN 29 11.562 2.481 -1.046
50 HA ASN 29 HA ASN 29 14.173 1.835 -0.673
51 1HB ASN 29 2HB ASN 29 13.695 4.127 -1.310
52 2HB ASN 29 1HB ASN 29 12.838 4.458 0.185
53 1HD2 ASN 29 1HD2 ASN 29 14.173 5.912 1.402
54 2HD2 ASN 29 2HD2 ASN 29 15.851 5.721 1.552
55 H LEU 30 H LEU 30 12.580 3.410 1.972
56 HA LEU 30 HA LEU 30 14.179 3.207 4.103
57 1HB LEU 30 2HB LEU 30 11.250 2.351 4.202
58 2HB LEU 30 1HB LEU 30 12.200 2.884 5.569
59 HG LEU 30 HG LEU 30 11.442 4.620 3.160
60 1HD1 LEU 30 1HD1 LEU 30 9.550 4.118 4.695
61 2HD1 LEU 30 2HD1 LEU 30 10.034 5.799 4.850
62 3HD1 LEU 30 3HD1 LEU 30 10.510 4.635 6.065
63 1HD2 LEU 30 1HD2 LEU 30 13.674 5.292 4.166
64 2HD2 LEU 30 2HD2 LEU 30 12.913 5.367 5.747
65 3HD2 LEU 30 3HD2 LEU 30 12.429 6.483 4.485
66 H ILE 31 H ILE 31 12.228 0.510 3.057
67 HA ILE 31 HA ILE 31 13.617 -1.268 4.975
68 HB ILE 31 HB ILE 31 11.338 -2.063 3.100
69 1HG1 ILE 31 2HG1 ILE 31 11.069 -0.823 5.900
70 2HG1 ILE 31 1HG1 ILE 31 10.587 -0.051 4.400
71 1HG2 ILE 31 1HG2 ILE 31 12.571 -3.896 4.293
72 2HG2 ILE 31 2HG2 ILE 31 10.930 -3.796 4.872
73 3HG2 ILE 31 3HG2 ILE 31 12.240 -3.133 5.834
74 1HD1 ILE 31 1HD1 ILE 31 8.614 -1.033 5.477
75 2HD1 ILE 31 2HD1 ILE 31 9.361 -2.614 5.495
76 3HD1 ILE 31 3HD1 ILE 31 8.944 -1.859 3.966
77 H GLU 32 H GLU 32 13.508 -0.591 1.674
78 HA GLU 32 HA GLU 32 14.900 -3.147 1.024
79 1HB GLU 32 2HB GLU 32 13.108 -2.140 -0.411
80 2HB GLU 32 1HB GLU 32 14.218 -0.878 -0.879
81 1HG GLU 32 2HG GLU 32 15.736 -2.431 -2.022
82 2HG GLU 32 1HG GLU 32 14.922 -3.837 -1.345
83 H ARG 33 H ARG 33 15.753 -0.356 2.181
84 HA ARG 33 HA ARG 33 18.274 0.076 0.726
85 1HB ARG 33 2HB ARG 33 16.884 1.906 1.881
86 2HB ARG 33 1HB ARG 33 17.312 1.217 3.436
87 1HG ARG 33 2HG ARG 33 19.672 1.744 3.074
88 2HG ARG 33 1HG ARG 33 19.362 2.182 1.397
89 1HD ARG 33 2HD ARG 33 17.789 4.007 2.259
90 2HD ARG 33 1HD ARG 33 18.348 3.621 3.878
91 HE ARG 33 HE ARG 33 20.248 4.357 1.682
92 1HH1 ARG 33 1HH2 ARG 33 19.026 4.936 4.863
93 2HH1 ARG 33 2HH2 ARG 33 20.196 6.127 5.256
94 1HH2 ARG 33 2HH1 ARG 33 21.815 5.866 2.149
95 2HH2 ARG 33 1HH1 ARG 33 21.825 6.657 3.665
96 H GLN 34 H GLN 34 17.150 -1.038 3.795
97 HA GLN 34 HA GLN 34 19.518 -1.989 5.002
98 1HB GLN 34 2HB GLN 34 16.714 -3.245 5.042
99 2HB GLN 34 1HB GLN 34 18.034 -3.856 6.021
100 1HG GLN 34 2HG GLN 34 18.216 -1.576 7.111
101 2HG GLN 34 1HG GLN 34 16.812 -1.045 6.187
102 1HE2 GLN 34 1HE2 GLN 34 17.575 -2.151 9.209
103 2HE2 GLN 34 2HE2 GLN 34 16.108 -2.939 9.561
104 H ARG 35 H ARG 35 17.526 -3.654 2.557
105 HA ARG 35 HA ARG 35 19.363 -5.918 2.453
106 1HB ARG 35 2HB ARG 35 17.032 -5.066 0.684
107 2HB ARG 35 1HB ARG 35 18.095 -6.351 0.180
108 1HG ARG 35 2HG ARG 35 17.564 -7.617 2.298
109 2HG ARG 35 1HG ARG 35 16.386 -6.380 2.704
110 1HD ARG 35 2HD ARG 35 15.078 -6.847 0.689
111 2HD ARG 35 1HD ARG 35 16.352 -7.830 0.006
112 HE ARG 35 HE ARG 35 14.803 -8.594 2.466
113 1HH1 ARG 35 1HH2 ARG 35 16.196 -9.501 -0.603
114 2HH1 ARG 35 2HH2 ARG 35 15.670 -11.120 -0.519
115 1HH2 ARG 35 2HH1 ARG 35 14.164 -10.709 2.631
116 2HH2 ARG 35 1HH1 ARG 35 14.496 -11.844 1.398
117 H TYR 36 H TYR 36 20.591 -3.252 1.959
118 HA TYR 36 HA TYR 36 21.536 -3.628 -0.823
119 1HB TYR 36 2HB TYR 36 20.826 -1.304 -0.382
120 2HB TYR 36 1HB TYR 36 21.825 -1.218 1.058
121 HD1 TYR 36 HD1 TYR 36 22.183 -2.123 -2.588
122 HD2 TYR 36 HD2 TYR 36 23.960 -0.234 0.794
123 HE1 TYR 36 HE1 TYR 36 24.105 -1.470 -3.953
124 HE2 TYR 36 HE2 TYR 36 25.878 0.415 -0.584
125 HH TYR 36 HH TYR 36 26.656 -0.930 -3.406
126 1HT TYR 36 1HT TYR 36 22.887 -2.846 2.406
127 2HT TYR 36 2HT TYR 36 24.352 -3.680 2.141
Start of MODEL 9
1 1H ACE 24 1HA ACE 24 0.287 0.071 -2.988
2 2H ACE 24 2HA ACE 24 1.413 -0.902 -2.045
3 3H ACE 24 3HA ACE 24 1.794 -0.488 -3.709
4 H ALA 24 H ALA 24 2.627 0.298 -0.646
5 HA ALA 24 HA ALA 24 2.788 3.220 -0.968
6 1HB ALA 24 1HB ALA 24 2.358 2.210 1.265
7 2HB ALA 24 2HB ALA 24 3.852 3.132 1.264
8 3HB ALA 24 3HB ALA 24 3.913 1.383 1.187
9 H ARG 25 H ARG 25 3.945 2.294 -3.037
10 HA ARG 25 HA ARG 25 6.502 1.422 -3.364
11 1HB ARG 25 2HB ARG 25 5.294 3.903 -4.701
12 2HB ARG 25 1HB ARG 25 6.722 3.060 -5.278
13 1HG ARG 25 2HG ARG 25 5.426 0.964 -5.532
14 2HG ARG 25 1HG ARG 25 3.989 1.751 -4.909
15 1HD ARG 25 2HD ARG 25 3.817 3.201 -6.810
16 2HD ARG 25 1HD ARG 25 5.390 2.754 -7.432
17 HE ARG 25 HE ARG 25 2.986 0.978 -7.198
18 1HH1 ARG 25 1HH2 ARG 25 6.067 1.638 -8.652
19 2HH1 ARG 25 2HH2 ARG 25 5.981 0.363 -9.781
20 1HH2 ARG 25 2HH1 ARG 25 2.817 -0.695 -8.660
21 2HH2 ARG 25 1HH1 ARG 25 4.055 -0.979 -9.806
22 H HIS 26 H HIS 26 5.823 4.748 -2.561
23 HA HIS 26 HA HIS 26 8.384 5.797 -2.400
24 1HB HIS 26 2HB HIS 26 7.261 7.325 -0.524
25 2HB HIS 26 1HB HIS 26 6.617 7.398 -2.151
26 HD1 HIS 26 HD1 HIS 26 4.243 6.462 -2.482
27 HD2 HIS 26 HD2 HIS 26 5.731 5.897 1.359
28 HE1 HIS 26 HE1 HIS 26 2.405 5.662 -1.002
29 H TYR 27 H TYR 27 6.942 3.764 -0.263
30 HA TYR 27 HA TYR 27 9.133 4.018 1.759
31 1HB TYR 27 2HB TYR 27 6.281 3.078 1.852
32 2HB TYR 27 1HB TYR 27 7.409 2.439 3.022
33 HD1 TYR 27 HD1 TYR 27 5.557 3.552 4.504
34 HD2 TYR 27 HD2 TYR 27 8.334 5.870 2.223
35 HE1 TYR 27 HE1 TYR 27 5.143 5.494 5.929
36 HE2 TYR 27 HE2 TYR 27 7.902 7.777 3.659
37 HH TYR 27 HH TYR 27 6.673 7.700 6.566
38 H LYS 28 H LYS 28 9.033 2.420 -0.788
39 HA LYS 28 HA LYS 28 9.567 -0.340 0.218
40 1HB LYS 28 2HB LYS 28 8.578 0.546 -2.227
41 2HB LYS 28 1HB LYS 28 10.269 0.349 -2.642
42 1HG LYS 28 2HG LYS 28 10.025 -1.998 -1.453
43 2HG LYS 28 1HG LYS 28 8.319 -1.720 -1.612
44 1HD LYS 28 2HD LYS 28 9.012 -3.014 -3.495
45 2HD LYS 28 1HD LYS 28 8.601 -1.416 -4.087
46 1HE LYS 28 2HE LYS 28 10.819 -2.470 -4.930
47 2HE LYS 28 1HE LYS 28 10.935 -0.806 -4.367
48 1HZ LYS 28 HZ LYS 28 11.608 -3.204 -2.680
49 H ASN 29 H ASN 29 11.121 2.194 -1.548
50 HA ASN 29 HA ASN 29 13.771 1.568 -1.802
51 1HB ASN 29 2HB ASN 29 12.673 3.713 -2.458
52 2HB ASN 29 1HB ASN 29 12.749 4.262 -0.802
53 1HD2 ASN 29 1HD2 ASN 29 15.679 2.733 -0.944
54 2HD2 ASN 29 2HD2 ASN 29 16.579 4.000 -1.633
55 H LEU 30 H LEU 30 12.270 2.721 1.085
56 HA LEU 30 HA LEU 30 14.532 2.919 2.822
57 1HB LEU 30 2HB LEU 30 11.663 2.257 3.648
58 2HB LEU 30 1HB LEU 30 12.894 3.011 4.632
59 HG LEU 30 HG LEU 30 11.699 4.312 2.118
60 1HD1 LEU 30 1HD1 LEU 30 10.439 5.721 3.715
61 2HD1 LEU 30 2HD1 LEU 30 11.085 4.814 5.064
62 3HD1 LEU 30 3HD1 LEU 30 10.002 4.038 3.928
63 1HD2 LEU 30 1HD2 LEU 30 13.436 5.456 4.349
64 2HD2 LEU 30 2HD2 LEU 30 12.785 6.360 2.996
65 3HD2 LEU 30 3HD2 LEU 30 13.989 5.119 2.718
66 H ILE 31 H ILE 31 12.116 0.395 2.480
67 HA ILE 31 HA ILE 31 13.460 -1.449 4.276
68 HB ILE 31 HB ILE 31 11.301 -1.969 2.141
69 1HG1 ILE 31 2HG1 ILE 31 11.102 -1.276 5.121
70 2HG1 ILE 31 1HG1 ILE 31 10.599 -0.244 3.799
71 1HG2 ILE 31 1HG2 ILE 31 10.784 -4.018 3.489
72 2HG2 ILE 31 2HG2 ILE 31 12.089 -3.634 4.600
73 3HG2 ILE 31 3HG2 ILE 31 12.438 -4.072 2.939
74 1HD1 ILE 31 1HD1 ILE 31 9.325 -2.908 4.526
75 2HD1 ILE 31 2HD1 ILE 31 8.866 -1.920 3.142
76 3HD1 ILE 31 3HD1 ILE 31 8.640 -1.314 4.773
77 H GLU 32 H GLU 32 13.830 -0.466 1.127
78 HA GLU 32 HA GLU 32 15.357 -2.881 0.273
79 1HB GLU 32 2HB GLU 32 14.564 -0.315 -1.172
80 2HB GLU 32 1HB GLU 32 15.502 -1.590 -1.921
81 1HG GLU 32 2HG GLU 32 13.717 -3.158 -1.794
82 2HG GLU 32 1HG GLU 32 12.863 -2.248 -0.562
83 H ARG 33 H ARG 33 16.000 -0.568 2.237
84 HA ARG 33 HA ARG 33 18.715 0.116 1.194
85 1HB ARG 33 2HB ARG 33 17.229 1.981 2.033
86 2HB ARG 33 1HB ARG 33 17.097 1.202 3.582
87 1HG ARG 33 2HG ARG 33 18.652 2.936 3.901
88 2HG ARG 33 1HG ARG 33 19.572 1.459 3.905
89 1HD ARG 33 2HD ARG 33 20.737 1.994 1.968
90 2HD ARG 33 1HD ARG 33 19.356 2.761 1.224
91 HE ARG 33 HE ARG 33 19.675 4.732 2.593
92 1HH1 ARG 33 1HH2 ARG 33 22.332 2.548 2.622
93 2HH1 ARG 33 2HH2 ARG 33 23.474 3.699 3.169
94 1HH2 ARG 33 2HH1 ARG 33 21.073 6.287 3.259
95 2HH2 ARG 33 1HH1 ARG 33 22.719 5.931 3.530
96 H GLN 34 H GLN 34 17.182 -0.731 4.169
97 HA GLN 34 HA GLN 34 19.144 -1.696 5.790
98 1HB GLN 34 2HB GLN 34 16.427 -2.978 5.270
99 2HB GLN 34 1HB GLN 34 17.502 -3.593 6.515
100 1HG GLN 34 2HG GLN 34 17.553 -1.329 7.590
101 2HG GLN 34 1HG GLN 34 16.442 -0.730 6.375
102 1HE2 GLN 34 1HE2 GLN 34 15.245 -3.802 6.852
103 2HE2 GLN 34 2HE2 GLN 34 14.218 -3.437 8.152
104 H ARG 35 H ARG 35 17.700 -3.888 3.377
105 HA ARG 35 HA ARG 35 19.921 -5.753 3.833
106 1HB ARG 35 2HB ARG 35 17.141 -6.005 3.080
107 2HB ARG 35 1HB ARG 35 18.075 -6.601 1.727
108 1HG ARG 35 2HG ARG 35 19.237 -8.214 3.102
109 2HG ARG 35 1HG ARG 35 18.633 -7.500 4.579
110 1HD ARG 35 2HD ARG 35 17.392 -9.523 4.109
111 2HD ARG 35 1HD ARG 35 16.292 -8.176 3.969
112 HE ARG 35 HE ARG 35 16.714 -8.276 1.460
113 1HH1 ARG 35 1HH2 ARG 35 17.007 -11.107 3.459
114 2HH1 ARG 35 2HH2 ARG 35 16.652 -12.214 2.213
115 1HH2 ARG 35 2HH1 ARG 35 16.273 -9.743 -0.224
116 2HH2 ARG 35 1HH1 ARG 35 16.217 -11.425 0.077
117 H TYR 36 H TYR 36 20.786 -3.391 2.665
118 HA TYR 36 HA TYR 36 21.647 -4.328 -0.012
119 1HB TYR 36 2HB TYR 36 19.973 -2.250 0.231
120 2HB TYR 36 1HB TYR 36 21.432 -1.377 0.660
121 HD1 TYR 36 HD1 TYR 36 23.531 -2.066 -1.107
122 HD2 TYR 36 HD2 TYR 36 19.365 -2.055 -1.978
123 HE1 TYR 36 HE1 TYR 36 24.026 -1.830 -3.476
124 HE2 TYR 36 HE2 TYR 36 19.874 -1.813 -4.360
125 HH TYR 36 HH TYR 36 22.475 -0.732 -5.556
126 1HT TYR 36 1HT TYR 36 23.338 -5.213 1.766
127 2HT TYR 36 2HT TYR 36 24.679 -4.193 2.013
Start of MODEL 10
1 1H ACE 24 1HA ACE 24 1.746 5.149 -2.531
2 2H ACE 24 2HA ACE 24 1.764 5.868 -0.925
3 3H ACE 24 3HA ACE 24 0.851 4.389 -1.214
4 H ALA 24 H ALA 24 1.820 2.684 -0.420
5 HA ALA 24 HA ALA 24 4.083 2.250 0.896
6 1HB ALA 24 1HB ALA 24 4.123 -0.099 0.103
7 2HB ALA 24 2HB ALA 24 3.057 0.317 -1.225
8 3HB ALA 24 3HB ALA 24 2.483 0.434 0.435
9 H ARG 25 H ARG 25 4.122 2.120 -2.541
10 HA ARG 25 HA ARG 25 6.725 1.276 -3.117
11 1HB ARG 25 2HB ARG 25 5.281 3.564 -4.534
12 2HB ARG 25 1HB ARG 25 6.595 2.612 -5.189
13 1HG ARG 25 2HG ARG 25 5.307 0.598 -5.234
14 2HG ARG 25 1HG ARG 25 4.018 1.260 -4.261
15 1HD ARG 25 2HD ARG 25 3.627 2.958 -6.215
16 2HD ARG 25 1HD ARG 25 4.776 1.990 -7.097
17 HE ARG 25 HE ARG 25 3.344 0.124 -7.077
18 1HH1 ARG 25 1HH2 ARG 25 1.962 2.835 -5.459
19 2HH1 ARG 25 2HH2 ARG 25 0.349 2.249 -5.515
20 1HH2 ARG 25 2HH1 ARG 25 1.295 -0.712 -7.169
21 2HH2 ARG 25 1HH1 ARG 25 -0.033 0.140 -6.510
22 H HIS 26 H HIS 26 5.706 4.553 -2.349
23 HA HIS 26 HA HIS 26 8.295 5.731 -2.570
24 1HB HIS 26 2HB HIS 26 5.881 6.514 -0.838
25 2HB HIS 26 1HB HIS 26 7.264 7.564 -1.111
26 HD1 HIS 26 HD1 HIS 26 7.702 8.111 -3.737
27 HD2 HIS 26 HD2 HIS 26 3.956 6.634 -2.699
28 HE1 HIS 26 HE1 HIS 26 6.089 8.580 -5.600
29 H TYR 27 H TYR 27 6.931 3.795 -0.325
30 HA TYR 27 HA TYR 27 9.103 4.224 1.686
31 1HB TYR 27 2HB TYR 27 6.395 4.226 2.005
32 2HB TYR 27 1HB TYR 27 6.742 2.548 2.377
33 HD1 TYR 27 HD1 TYR 27 8.624 2.049 4.081
34 HD2 TYR 27 HD2 TYR 27 6.862 5.905 3.684
35 HE1 TYR 27 HE1 TYR 27 9.505 2.677 6.268
36 HE2 TYR 27 HE2 TYR 27 7.741 6.527 5.883
37 HH TYR 27 HH TYR 27 8.481 5.325 7.994
38 H LYS 28 H LYS 28 8.994 2.633 -0.809
39 HA LYS 28 HA LYS 28 9.429 -0.167 0.115
40 1HB LYS 28 2HB LYS 28 8.170 0.067 -1.902
41 2HB LYS 28 1HB LYS 28 9.346 1.144 -2.612
42 1HG LYS 28 2HG LYS 28 10.434 -1.518 -1.891
43 2HG LYS 28 1HG LYS 28 9.237 -1.515 -3.168
44 1HD LYS 28 2HD LYS 28 10.408 0.151 -4.415
45 2HD LYS 28 1HD LYS 28 11.570 0.452 -3.156
46 1HE LYS 28 2HE LYS 28 11.271 -2.182 -4.629
47 2HE LYS 28 1HE LYS 28 12.575 -1.012 -4.852
48 1HZ LYS 28 HZ LYS 28 12.007 -2.443 -2.289
49 H ASN 29 H ASN 29 11.242 2.323 -1.551
50 HA ASN 29 HA ASN 29 13.780 1.117 -1.758
51 1HB ASN 29 2HB ASN 29 13.062 3.489 -2.577
52 2HB ASN 29 1HB ASN 29 13.452 4.052 -0.958
53 1HD2 ASN 29 1HD2 ASN 29 14.820 3.476 -4.025
54 2HD2 ASN 29 2HD2 ASN 29 16.441 3.512 -3.506
55 H LEU 30 H LEU 30 12.588 3.076 0.897
56 HA LEU 30 HA LEU 30 14.638 2.978 2.755
57 1HB LEU 30 2HB LEU 30 11.616 2.806 3.250
58 2HB LEU 30 1HB LEU 30 12.774 2.976 4.540
59 HG LEU 30 HG LEU 30 13.596 5.126 3.535
60 1HD1 LEU 30 1HD1 LEU 30 12.208 6.272 1.814
61 2HD1 LEU 30 2HD1 LEU 30 11.265 4.823 1.585
62 3HD1 LEU 30 3HD1 LEU 30 12.974 4.858 1.157
63 1HD2 LEU 30 1HD2 LEU 30 11.907 5.202 5.315
64 2HD2 LEU 30 2HD2 LEU 30 10.615 5.023 4.141
65 3HD2 LEU 30 3HD2 LEU 30 11.591 6.476 4.157
66 H ILE 31 H ILE 31 12.219 0.505 2.153
67 HA ILE 31 HA ILE 31 13.090 -1.258 4.251
68 HB ILE 31 HB ILE 31 11.745 -2.009 1.595
69 1HG1 ILE 31 2HG1 ILE 31 10.431 -1.289 4.266
70 2HG1 ILE 31 1HG1 ILE 31 10.501 -0.187 2.917
71 1HG2 ILE 31 1HG2 ILE 31 11.695 -3.380 4.327
72 2HG2 ILE 31 2HG2 ILE 31 12.646 -3.930 2.962
73 3HG2 ILE 31 3HG2 ILE 31 10.901 -3.966 2.874
74 1HD1 ILE 31 1HD1 ILE 31 9.221 -1.842 1.524
75 2HD1 ILE 31 2HD1 ILE 31 8.331 -1.293 2.932
76 3HD1 ILE 31 3HD1 ILE 31 9.072 -2.882 2.930
77 H GLU 32 H GLU 32 13.653 -1.121 0.911
78 HA GLU 32 HA GLU 32 15.596 -3.186 0.694
79 1HB GLU 32 2HB GLU 32 15.284 -0.647 -0.983
80 2HB GLU 32 1HB GLU 32 16.390 -1.928 -1.424
81 1HG GLU 32 2HG GLU 32 14.630 -3.519 -1.744
82 2HG GLU 32 1HG GLU 32 13.473 -2.572 -0.824
83 H ARG 33 H ARG 33 15.985 -0.111 1.651
84 HA ARG 33 HA ARG 33 18.829 0.281 1.600
85 1HB ARG 33 2HB ARG 33 17.205 2.132 2.383
86 2HB ARG 33 1HB ARG 33 16.931 1.224 3.854
87 1HG ARG 33 2HG ARG 33 19.385 1.396 4.420
88 2HG ARG 33 1HG ARG 33 19.611 2.381 2.992
89 1HD ARG 33 2HD ARG 33 18.022 4.127 4.016
90 2HD ARG 33 1HD ARG 33 17.904 3.058 5.421
91 HE ARG 33 HE ARG 33 20.589 3.925 4.482
92 1HH1 ARG 33 1HH2 ARG 33 18.169 4.094 6.935
93 2HH1 ARG 33 2HH2 ARG 33 19.192 4.764 8.124
94 1HH2 ARG 33 2HH1 ARG 33 21.992 4.782 5.977
95 2HH2 ARG 33 1HH1 ARG 33 21.459 5.204 7.550
96 H GLN 34 H GLN 34 16.785 -1.375 3.793
97 HA GLN 34 HA GLN 34 18.856 -2.098 5.699
98 1HB GLN 34 2HB GLN 34 16.170 -3.427 5.140
99 2HB GLN 34 1HB GLN 34 17.138 -3.645 6.586
100 1HG GLN 34 2HG GLN 34 16.894 -1.268 7.186
101 2HG GLN 34 1HG GLN 34 16.030 -0.937 5.686
102 1HE2 GLN 34 1HE2 GLN 34 13.838 -0.901 5.998
103 2HE2 GLN 34 2HE2 GLN 34 12.993 -1.846 7.145
104 H ARG 35 H ARG 35 17.941 -3.283 2.644
105 HA ARG 35 HA ARG 35 19.223 -5.894 3.080
106 1HB ARG 35 2HB ARG 35 17.085 -5.226 1.573
107 2HB ARG 35 1HB ARG 35 18.307 -4.859 0.379
108 1HG ARG 35 2HG ARG 35 17.759 -7.570 1.681
109 2HG ARG 35 1HG ARG 35 17.490 -7.133 0.006
110 1HD ARG 35 2HD ARG 35 19.912 -6.648 -0.196
111 2HD ARG 35 1HD ARG 35 20.213 -7.397 1.380
112 HE ARG 35 HE ARG 35 18.925 -9.402 0.190
113 1HH1 ARG 35 1HH2 ARG 35 21.326 -7.251 -1.087
114 2HH1 ARG 35 2HH2 ARG 35 21.892 -8.336 -2.276
115 1HH2 ARG 35 2HH1 ARG 35 19.666 -10.908 -1.345
116 2HH2 ARG 35 1HH1 ARG 35 20.939 -10.484 -2.399
117 H TYR 36 H TYR 36 20.699 -3.517 3.476
118 HA TYR 36 HA TYR 36 22.866 -3.796 1.492
119 1HB TYR 36 2HB TYR 36 21.572 -1.510 1.340
120 2HB TYR 36 1HB TYR 36 22.113 -1.225 2.991
121 HD1 TYR 36 HD1 TYR 36 23.514 -2.111 -0.395
122 HD2 TYR 36 HD2 TYR 36 24.181 -0.219 3.359
123 HE1 TYR 36 HE1 TYR 36 25.681 -1.285 -1.192
124 HE2 TYR 36 HE2 TYR 36 26.341 0.609 2.562
125 HH TYR 36 HH TYR 36 27.555 1.009 0.623
126 1HT TYR 36 1HT TYR 36 22.891 -5.496 3.492
127 2HT TYR 36 2HT TYR 36 23.824 -4.978 4.816
Start of MODEL 11
1 1H ACE 24 1HA ACE 24 1.397 0.282 -4.125
2 2H ACE 24 2HA ACE 24 0.020 1.305 -3.720
3 3H ACE 24 3HA ACE 24 0.652 0.175 -2.529
4 H ALA 24 H ALA 24 1.946 1.145 -1.011
5 HA ALA 24 HA ALA 24 2.902 3.890 -1.476
6 1HB ALA 24 1HB ALA 24 3.244 2.044 0.932
7 2HB ALA 24 2HB ALA 24 1.969 3.244 0.732
8 3HB ALA 24 3HB ALA 24 3.642 3.750 0.891
9 H ARG 25 H ARG 25 4.035 2.164 -3.209
10 HA ARG 25 HA ARG 25 6.461 0.928 -2.830
11 1HB ARG 25 2HB ARG 25 6.981 1.634 -5.169
12 2HB ARG 25 1HB ARG 25 5.351 1.024 -4.994
13 1HG ARG 25 2HG ARG 25 4.943 3.731 -4.500
14 2HG ARG 25 1HG ARG 25 6.322 3.804 -5.568
15 1HD ARG 25 2HD ARG 25 5.080 2.445 -7.247
16 2HD ARG 25 1HD ARG 25 3.673 2.397 -6.209
17 HE ARG 25 HE ARG 25 4.682 4.675 -7.733
18 1HH1 ARG 25 1HH2 ARG 25 2.826 3.660 -5.023
19 2HH1 ARG 25 2HH2 ARG 25 1.815 5.022 -4.956
20 1HH2 ARG 25 2HH1 ARG 25 3.435 6.543 -7.730
21 2HH2 ARG 25 1HH1 ARG 25 2.205 6.765 -6.563
22 H HIS 26 H HIS 26 6.006 4.404 -2.983
23 HA HIS 26 HA HIS 26 8.690 5.205 -3.088
24 1HB HIS 26 2HB HIS 26 6.445 6.556 -1.503
25 2HB HIS 26 1HB HIS 26 7.878 7.356 -2.120
26 HD1 HIS 26 HD1 HIS 26 8.049 6.966 -4.931
27 HD2 HIS 26 HD2 HIS 26 4.336 6.879 -3.070
28 HE1 HIS 26 HE1 HIS 26 6.272 7.391 -6.642
29 H TYR 27 H TYR 27 6.957 3.927 -0.602
30 HA TYR 27 HA TYR 27 9.028 4.427 1.495
31 1HB TYR 27 2HB TYR 27 6.138 3.565 1.550
32 2HB TYR 27 1HB TYR 27 7.171 3.050 2.849
33 HD1 TYR 27 HD1 TYR 27 6.776 6.346 1.003
34 HD2 TYR 27 HD2 TYR 27 6.837 4.332 4.755
35 HE1 TYR 27 HE1 TYR 27 6.420 8.483 2.179
36 HE2 TYR 27 HE2 TYR 27 6.489 6.454 5.902
37 HH TYR 27 HH TYR 27 6.917 8.915 5.426
38 H LYS 28 H LYS 28 9.017 2.476 -0.803
39 HA LYS 28 HA LYS 28 9.391 -0.164 0.566
40 1HB LYS 28 2HB LYS 28 8.423 0.354 -1.930
41 2HB LYS 28 1HB LYS 28 10.121 0.265 -2.347
42 1HG LYS 28 2HG LYS 28 10.054 -2.001 -0.997
43 2HG LYS 28 1HG LYS 28 8.322 -1.834 -1.120
44 1HD LYS 28 2HD LYS 28 9.060 -3.220 -2.907
45 2HD LYS 28 1HD LYS 28 8.463 -1.727 -3.607
46 1HE LYS 28 2HE LYS 28 10.697 -2.592 -4.533
47 2HE LYS 28 1HE LYS 28 10.761 -0.915 -4.002
48 1HZ LYS 28 HZ LYS 28 11.651 -3.255 -2.347
49 H ASN 29 H ASN 29 11.015 2.321 -1.190
50 HA ASN 29 HA ASN 29 13.655 1.621 -1.414
51 1HB ASN 29 2HB ASN 29 12.632 3.845 -2.058
52 2HB ASN 29 1HB ASN 29 12.787 4.366 -0.383
53 1HD2 ASN 29 1HD2 ASN 29 14.953 4.906 0.359
54 2HD2 ASN 29 2HD2 ASN 29 16.287 4.826 -0.698
55 H LEU 30 H LEU 30 12.230 3.131 1.357
56 HA LEU 30 HA LEU 30 14.376 3.209 3.172
57 1HB LEU 30 2HB LEU 30 11.424 2.785 3.848
58 2HB LEU 30 1HB LEU 30 12.642 3.440 4.919
59 HG LEU 30 HG LEU 30 11.779 4.777 2.290
60 1HD1 LEU 30 1HD1 LEU 30 9.975 4.803 4.014
61 2HD1 LEU 30 2HD1 LEU 30 10.641 6.396 3.741
62 3HD1 LEU 30 3HD1 LEU 30 11.104 5.487 5.168
63 1HD2 LEU 30 1HD2 LEU 30 13.538 5.791 4.573
64 2HD2 LEU 30 2HD2 LEU 30 13.069 6.717 3.166
65 3HD2 LEU 30 3HD2 LEU 30 14.128 5.334 2.989
66 H ILE 31 H ILE 31 12.291 0.601 2.367
67 HA ILE 31 HA ILE 31 13.404 -1.137 4.495
68 HB ILE 31 HB ILE 31 11.249 -1.664 2.370
69 1HG1 ILE 31 2HG1 ILE 31 10.897 -1.097 5.359
70 2HG1 ILE 31 1HG1 ILE 31 10.758 0.160 4.148
71 1HG2 ILE 31 1HG2 ILE 31 11.985 -3.250 4.894
72 2HG2 ILE 31 2HG2 ILE 31 12.323 -3.762 3.251
73 3HG2 ILE 31 3HG2 ILE 31 10.672 -3.637 3.801
74 1HD1 ILE 31 1HD1 ILE 31 9.022 -2.340 4.214
75 2HD1 ILE 31 2HD1 ILE 31 8.933 -1.046 3.027
76 3HD1 ILE 31 3HD1 ILE 31 8.537 -0.728 4.700
77 H GLU 32 H GLU 32 13.873 -0.231 1.335
78 HA GLU 32 HA GLU 32 15.334 -2.719 0.566
79 1HB GLU 32 2HB GLU 32 14.497 -0.221 -0.974
80 2HB GLU 32 1HB GLU 32 15.456 -1.501 -1.689
81 1HG GLU 32 2HG GLU 32 13.692 -3.088 -1.501
82 2HG GLU 32 1HG GLU 32 12.869 -2.199 -0.237
83 H ARG 33 H ARG 33 16.052 -0.781 2.564
84 HA ARG 33 HA ARG 33 18.662 0.248 1.565
85 1HB ARG 33 2HB ARG 33 17.173 1.858 2.820
86 2HB ARG 33 1HB ARG 33 17.066 0.772 4.173
87 1HG ARG 33 2HG ARG 33 18.667 2.508 4.721
88 2HG ARG 33 1HG ARG 33 19.535 1.000 4.540
89 1HD ARG 33 2HD ARG 33 20.367 1.603 2.351
90 2HD ARG 33 1HD ARG 33 19.290 2.974 2.228
91 HE ARG 33 HE ARG 33 21.547 2.700 4.193
92 1HH1 ARG 33 1HH2 ARG 33 19.590 4.704 2.164
93 2HH1 ARG 33 2HH2 ARG 33 20.436 6.147 2.503
94 1HH2 ARG 33 2HH1 ARG 33 22.684 4.542 4.676
95 2HH2 ARG 33 1HH1 ARG 33 22.271 6.055 3.981
96 H GLN 34 H GLN 34 17.257 -1.206 4.352
97 HA GLN 34 HA GLN 34 19.167 -2.487 5.731
98 1HB GLN 34 2HB GLN 34 16.468 -3.622 4.876
99 2HB GLN 34 1HB GLN 34 17.516 -4.512 5.956
100 1HG GLN 34 2HG GLN 34 15.873 -3.213 7.284
101 2HG GLN 34 1HG GLN 34 17.490 -2.606 7.575
102 1HE2 GLN 34 1HE2 GLN 34 14.346 -1.702 6.420
103 2HE2 GLN 34 2HE2 GLN 34 14.792 -0.126 5.940
104 H ARG 35 H ARG 35 17.909 -3.909 2.748
105 HA ARG 35 HA ARG 35 19.955 -6.015 2.883
106 1HB ARG 35 2HB ARG 35 17.460 -6.316 2.139
107 2HB ARG 35 1HB ARG 35 17.986 -5.630 0.608
108 1HG ARG 35 2HG ARG 35 19.886 -7.492 0.740
109 2HG ARG 35 1HG ARG 35 18.844 -8.228 1.938
110 1HD ARG 35 2HD ARG 35 16.958 -8.146 0.263
111 2HD ARG 35 1HD ARG 35 18.068 -7.591 -0.961
112 HE ARG 35 HE ARG 35 17.958 -10.281 0.275
113 1HH1 ARG 35 1HH2 ARG 35 19.753 -8.097 -1.702
114 2HH1 ARG 35 2HH2 ARG 35 20.631 -9.304 -2.529
115 1HH2 ARG 35 2HH1 ARG 35 19.095 -11.911 -0.706
116 2HH2 ARG 35 1HH1 ARG 35 20.255 -11.574 -1.910
117 H TYR 36 H TYR 36 20.851 -3.321 2.428
118 HA TYR 36 HA TYR 36 22.074 -3.550 -0.263
119 1HB TYR 36 2HB TYR 36 20.525 -1.501 0.262
120 2HB TYR 36 1HB TYR 36 21.741 -1.009 1.422
121 HD1 TYR 36 HD1 TYR 36 24.130 -0.458 0.546
122 HD2 TYR 36 HD2 TYR 36 20.798 -1.007 -2.062
123 HE1 TYR 36 HE1 TYR 36 25.338 0.670 -1.237
124 HE2 TYR 36 HE2 TYR 36 22.038 0.137 -3.846
125 HH TYR 36 HH TYR 36 25.120 0.529 -4.018
126 1HT TYR 36 1HT TYR 36 23.256 -5.150 1.383
127 2HT TYR 36 2HT TYR 36 24.620 -4.494 2.167
Start of MODEL 12
1 1H ACE 24 1HA ACE 24 0.525 0.505 -1.621
2 2H ACE 24 2HA ACE 24 -0.854 1.520 -1.209
3 3H ACE 24 3HA ACE 24 0.226 0.954 0.062
4 H ALA 24 H ALA 24 1.672 2.455 0.713
5 HA ALA 24 HA ALA 24 2.092 4.887 -0.891
6 1HB ALA 24 1HB ALA 24 3.386 5.643 1.109
7 2HB ALA 24 2HB ALA 24 3.231 4.047 1.816
8 3HB ALA 24 3HB ALA 24 1.801 5.048 1.577
9 H ARG 25 H ARG 25 2.935 3.147 -2.403
10 HA ARG 25 HA ARG 25 5.213 1.776 -2.633
11 1HB ARG 25 2HB ARG 25 3.710 2.386 -4.563
12 2HB ARG 25 1HB ARG 25 4.514 3.942 -4.675
13 1HG ARG 25 2HG ARG 25 6.678 2.101 -4.688
14 2HG ARG 25 1HG ARG 25 5.436 1.249 -5.563
15 1HD ARG 25 2HD ARG 25 6.321 4.084 -6.261
16 2HD ARG 25 1HD ARG 25 6.949 2.632 -6.994
17 HE ARG 25 HE ARG 25 4.027 3.327 -7.063
18 1HH1 ARG 25 1HH2 ARG 25 6.928 2.339 -8.746
19 2HH1 ARG 25 2HH2 ARG 25 6.131 2.110 -10.234
20 1HH2 ARG 25 2HH1 ARG 25 2.982 3.023 -9.051
21 2HH2 ARG 25 1HH1 ARG 25 3.878 2.518 -10.413
22 H HIS 26 H HIS 26 5.280 5.286 -2.842
23 HA HIS 26 HA HIS 26 8.074 5.586 -3.253
24 1HB HIS 26 2HB HIS 26 6.113 7.339 -3.423
25 2HB HIS 26 1HB HIS 26 6.404 7.621 -1.716
26 HD1 HIS 26 HD1 HIS 26 9.250 7.976 -1.358
27 HD2 HIS 26 HD2 HIS 26 7.413 9.046 -4.924
28 HE1 HIS 26 HE1 HIS 26 10.697 9.635 -2.555
29 H TYR 27 H TYR 27 6.819 4.172 -0.640
30 HA TYR 27 HA TYR 27 9.006 5.082 1.157
31 1HB TYR 27 2HB TYR 27 6.536 5.383 1.912
32 2HB TYR 27 1HB TYR 27 6.413 3.637 1.919
33 HD1 TYR 27 HD1 TYR 27 8.468 6.417 3.325
34 HD2 TYR 27 HD2 TYR 27 7.018 2.450 3.910
35 HE1 TYR 27 HE1 TYR 27 9.404 6.398 5.598
36 HE2 TYR 27 HE2 TYR 27 7.955 2.443 6.173
37 HH TYR 27 HH TYR 27 8.558 4.401 7.928
38 H LYS 28 H LYS 28 8.229 2.842 -0.833
39 HA LYS 28 HA LYS 28 8.883 0.350 0.449
40 1HB LYS 28 2HB LYS 28 7.662 0.494 -1.732
41 2HB LYS 28 1HB LYS 28 9.118 1.060 -2.522
42 1HG LYS 28 2HG LYS 28 9.097 -1.602 -1.048
43 2HG LYS 28 1HG LYS 28 8.504 -1.493 -2.686
44 1HD LYS 28 2HD LYS 28 10.640 -0.890 -3.565
45 2HD LYS 28 1HD LYS 28 11.341 -0.523 -2.010
46 1HE LYS 28 2HE LYS 28 10.887 -2.967 -1.369
47 2HE LYS 28 1HE LYS 28 10.602 -3.231 -3.089
48 1HZ LYS 28 HZ LYS 28 12.922 -2.400 -3.502
49 H ASN 29 H ASN 29 10.856 2.380 -1.615
50 HA ASN 29 HA ASN 29 13.237 1.183 -1.937
51 1HB ASN 29 2HB ASN 29 12.774 3.634 -2.400
52 2HB ASN 29 1HB ASN 29 13.090 3.977 -0.705
53 1HD2 ASN 29 1HD2 ASN 29 14.599 3.781 -3.739
54 2HD2 ASN 29 2HD2 ASN 29 16.197 3.687 -3.169
55 H LEU 30 H LEU 30 12.463 2.684 1.154
56 HA LEU 30 HA LEU 30 14.725 2.165 2.628
57 1HB LEU 30 2HB LEU 30 11.798 2.014 3.429
58 2HB LEU 30 1HB LEU 30 13.074 1.857 4.617
59 HG LEU 30 HG LEU 30 12.970 4.236 2.693
60 1HD1 LEU 30 1HD1 LEU 30 11.890 5.485 4.554
61 2HD1 LEU 30 2HD1 LEU 30 11.784 4.016 5.507
62 3HD1 LEU 30 3HD1 LEU 30 10.870 4.160 4.020
63 1HD2 LEU 30 1HD2 LEU 30 14.417 5.255 4.435
64 2HD2 LEU 30 2HD2 LEU 30 15.153 3.768 3.880
65 3HD2 LEU 30 3HD2 LEU 30 14.310 3.804 5.416
66 H ILE 31 H ILE 31 12.212 -0.221 2.039
67 HA ILE 31 HA ILE 31 13.256 -2.252 3.742
68 HB ILE 31 HB ILE 31 11.590 -2.457 1.151
69 1HG1 ILE 31 2HG1 ILE 31 10.763 -2.241 4.098
70 2HG1 ILE 31 1HG1 ILE 31 10.561 -0.987 2.895
71 1HG2 ILE 31 1HG2 ILE 31 12.571 -4.673 1.853
72 2HG2 ILE 31 2HG2 ILE 31 10.835 -4.662 2.043
73 3HG2 ILE 31 3HG2 ILE 31 11.870 -4.471 3.450
74 1HD1 ILE 31 1HD1 ILE 31 9.178 -3.696 2.860
75 2HD1 ILE 31 2HD1 ILE 31 9.054 -2.482 1.593
76 3HD1 ILE 31 3HD1 ILE 31 8.440 -2.148 3.205
77 H GLU 32 H GLU 32 14.371 -1.076 0.847
78 HA GLU 32 HA GLU 32 16.146 -3.431 0.340
79 1HB GLU 32 2HB GLU 32 15.307 -1.039 -1.357
80 2HB GLU 32 1HB GLU 32 16.745 -1.936 -1.774
81 1HG GLU 32 2HG GLU 32 14.975 -2.831 -3.130
82 2HG GLU 32 1HG GLU 32 15.284 -4.022 -1.890
83 H ARG 33 H ARG 33 16.250 -1.078 2.352
84 HA ARG 33 HA ARG 33 18.979 -0.108 1.721
85 1HB ARG 33 2HB ARG 33 16.995 1.480 2.396
86 2HB ARG 33 1HB ARG 33 17.198 0.857 4.011
87 1HG ARG 33 2HG ARG 33 18.444 2.990 3.725
88 2HG ARG 33 1HG ARG 33 19.544 1.674 4.084
89 1HD ARG 33 2HD ARG 33 20.289 1.517 1.798
90 2HD ARG 33 1HD ARG 33 18.906 2.396 1.199
91 HE ARG 33 HE ARG 33 21.132 3.566 2.859
92 1HH1 ARG 33 1HH2 ARG 33 18.774 3.879 0.323
93 2HH1 ARG 33 2HH2 ARG 33 19.252 5.469 -0.109
94 1HH2 ARG 33 2HH1 ARG 33 21.773 5.626 2.334
95 2HH2 ARG 33 1HH1 ARG 33 21.002 6.507 1.090
96 H GLN 34 H GLN 34 17.154 -1.455 4.323
97 HA GLN 34 HA GLN 34 19.010 -1.868 6.330
98 1HB GLN 34 2HB GLN 34 16.651 -2.708 6.443
99 2HB GLN 34 1HB GLN 34 17.034 -3.991 5.314
100 1HG GLN 34 2HG GLN 34 18.661 -4.944 6.979
101 2HG GLN 34 1HG GLN 34 18.306 -3.610 8.068
102 1HE2 GLN 34 1HE2 GLN 34 17.225 -6.722 7.045
103 2HE2 GLN 34 2HE2 GLN 34 15.785 -6.721 7.956
104 H ARG 35 H ARG 35 18.614 -4.141 3.658
105 HA ARG 35 HA ARG 35 21.195 -5.408 4.251
106 1HB ARG 35 2HB ARG 35 19.022 -6.057 2.199
107 2HB ARG 35 1HB ARG 35 20.494 -6.970 2.328
108 1HG ARG 35 2HG ARG 35 18.471 -6.688 4.593
109 2HG ARG 35 1HG ARG 35 18.509 -8.037 3.474
110 1HD ARG 35 2HD ARG 35 21.017 -8.307 4.229
111 2HD ARG 35 1HD ARG 35 20.565 -7.303 5.595
112 HE ARG 35 HE ARG 35 18.722 -8.963 6.065
113 1HH1 ARG 35 1HH2 ARG 35 21.571 -9.993 4.366
114 2HH1 ARG 35 2HH2 ARG 35 21.419 -11.631 4.824
115 1HH2 ARG 35 2HH1 ARG 35 18.484 -11.074 6.674
116 2HH2 ARG 35 1HH1 ARG 35 19.610 -12.263 6.184
117 H TYR 36 H TYR 36 21.546 -2.805 3.431
118 HA TYR 36 HA TYR 36 22.523 -3.077 0.635
119 1HB TYR 36 2HB TYR 36 20.755 -1.285 1.366
120 2HB TYR 36 1HB TYR 36 22.107 -0.444 2.108
121 HD1 TYR 36 HD1 TYR 36 24.152 0.068 0.476
122 HD2 TYR 36 HD2 TYR 36 20.243 -0.959 -0.873
123 HE1 TYR 36 HE1 TYR 36 24.650 1.029 -1.716
124 HE2 TYR 36 HE2 TYR 36 20.753 0.011 -3.060
125 HH TYR 36 HH TYR 36 23.854 0.791 -4.072
126 1HT TYR 36 1HT TYR 36 24.175 -4.326 2.235
127 2HT TYR 36 2HT TYR 36 25.537 -3.393 2.675
Start of MODEL 13
1 1H ACE 24 1HA ACE 24 1.448 -0.319 -3.159
2 2H ACE 24 2HA ACE 24 0.063 0.073 -2.137
3 3H ACE 24 3HA ACE 24 1.396 -0.866 -1.480
4 H ALA 24 H ALA 24 2.755 0.328 -0.235
5 HA ALA 24 HA ALA 24 2.649 3.274 -0.353
6 1HB ALA 24 1HB ALA 24 2.672 2.095 1.835
7 2HB ALA 24 2HB ALA 24 4.076 3.123 1.666
8 3HB ALA 24 3HB ALA 24 4.238 1.390 1.449
9 H ARG 25 H ARG 25 3.403 2.787 -2.580
10 HA ARG 25 HA ARG 25 5.840 2.087 -3.571
11 1HB ARG 25 2HB ARG 25 3.826 4.212 -4.289
12 2HB ARG 25 1HB ARG 25 5.396 4.394 -5.031
13 1HG ARG 25 2HG ARG 25 3.893 3.074 -6.471
14 2HG ARG 25 1HG ARG 25 5.308 2.173 -6.008
15 1HD ARG 25 2HD ARG 25 3.545 0.561 -5.740
16 2HD ARG 25 1HD ARG 25 3.841 1.127 -4.137
17 HE ARG 25 HE ARG 25 1.820 2.361 -4.107
18 1HH1 ARG 25 1HH2 ARG 25 2.401 0.868 -7.134
19 2HH1 ARG 25 2HH2 ARG 25 0.782 0.954 -7.693
20 1HH2 ARG 25 2HH1 ARG 25 -0.297 2.559 -4.732
21 2HH2 ARG 25 1HH1 ARG 25 -0.809 2.012 -6.272
22 H HIS 26 H HIS 26 5.398 5.512 -2.569
23 HA HIS 26 HA HIS 26 8.285 5.904 -2.652
24 1HB HIS 26 2HB HIS 26 6.107 7.650 -1.416
25 2HB HIS 26 1HB HIS 26 7.770 8.144 -1.682
26 HD1 HIS 26 HD1 HIS 26 5.947 9.878 -3.140
27 HD2 HIS 26 HD2 HIS 26 7.110 6.213 -4.735
28 HE1 HIS 26 HE1 HIS 26 5.603 9.912 -5.607
29 H TYR 27 H TYR 27 7.032 3.905 -0.738
30 HA TYR 27 HA TYR 27 8.687 4.595 1.608
31 1HB TYR 27 2HB TYR 27 5.925 4.736 1.669
32 2HB TYR 27 1HB TYR 27 6.154 3.030 2.005
33 HD1 TYR 27 HD1 TYR 27 7.762 2.395 3.968
34 HD2 TYR 27 HD2 TYR 27 6.125 6.292 3.423
35 HE1 TYR 27 HE1 TYR 27 8.217 2.910 6.301
36 HE2 TYR 27 HE2 TYR 27 6.580 6.798 5.770
37 HH TYR 27 HH TYR 27 8.558 4.942 7.735
38 H LYS 28 H LYS 28 8.517 2.837 -0.895
39 HA LYS 28 HA LYS 28 8.899 0.129 0.281
40 1HB LYS 28 2HB LYS 28 7.593 0.239 -1.744
41 2HB LYS 28 1HB LYS 28 8.831 1.126 -2.596
42 1HG LYS 28 2HG LYS 28 9.695 -1.531 -1.449
43 2HG LYS 28 1HG LYS 28 8.529 -1.608 -2.746
44 1HD LYS 28 2HD LYS 28 9.961 -0.306 -4.206
45 2HD LYS 28 1HD LYS 28 11.136 -0.031 -2.954
46 1HE LYS 28 2HE LYS 28 10.394 -2.818 -3.896
47 2HE LYS 28 1HE LYS 28 11.774 -1.906 -4.500
48 1HZ LYS 28 HZ LYS 28 11.395 -2.658 -1.623
49 H ASN 29 H ASN 29 10.758 2.115 -1.936
50 HA ASN 29 HA ASN 29 13.173 0.974 -2.176
51 1HB ASN 29 2HB ASN 29 12.762 3.277 -2.970
52 2HB ASN 29 1HB ASN 29 12.787 3.897 -1.336
53 1HD2 ASN 29 1HD2 ASN 29 15.291 1.532 -1.598
54 2HD2 ASN 29 2HD2 ASN 29 16.519 2.643 -1.963
55 H LEU 30 H LEU 30 12.464 2.887 0.636
56 HA LEU 30 HA LEU 30 14.679 2.656 2.246
57 1HB LEU 30 2HB LEU 30 11.838 2.327 3.318
58 2HB LEU 30 1HB LEU 30 13.205 3.018 4.155
59 HG LEU 30 HG LEU 30 11.824 4.259 1.709
60 1HD1 LEU 30 1HD1 LEU 30 11.036 5.932 3.311
61 2HD1 LEU 30 2HD1 LEU 30 11.801 5.071 4.637
62 3HD1 LEU 30 3HD1 LEU 30 10.467 4.341 3.762
63 1HD2 LEU 30 1HD2 LEU 30 14.051 5.388 3.476
64 2HD2 LEU 30 2HD2 LEU 30 13.250 6.225 2.161
65 3HD2 LEU 30 3HD2 LEU 30 14.271 4.848 1.817
66 H ILE 31 H ILE 31 12.046 0.331 2.208
67 HA ILE 31 HA ILE 31 13.121 -1.485 4.123
68 HB ILE 31 HB ILE 31 11.267 -1.971 1.725
69 1HG1 ILE 31 2HG1 ILE 31 10.574 -1.288 4.642
70 2HG1 ILE 31 1HG1 ILE 31 10.464 -0.160 3.308
71 1HG2 ILE 31 1HG2 ILE 31 10.383 -3.937 3.041
72 2HG2 ILE 31 2HG2 ILE 31 11.566 -3.625 4.295
73 3HG2 ILE 31 3HG2 ILE 31 12.078 -4.145 2.704
74 1HD1 ILE 31 1HD1 ILE 31 8.238 -1.056 3.806
75 2HD1 ILE 31 2HD1 ILE 31 8.798 -2.698 3.583
76 3HD1 ILE 31 3HD1 ILE 31 8.751 -1.595 2.216
77 H GLU 32 H GLU 32 14.218 -0.846 1.072
78 HA GLU 32 HA GLU 32 15.624 -3.491 0.871
79 1HB GLU 32 2HB GLU 32 15.223 -1.299 -1.219
80 2HB GLU 32 1HB GLU 32 15.931 -2.872 -1.520
81 1HG GLU 32 2HG GLU 32 13.833 -4.029 -1.089
82 2HG GLU 32 1HG GLU 32 13.109 -2.624 -0.331
83 H ARG 33 H ARG 33 16.183 -1.073 2.531
84 HA ARG 33 HA ARG 33 18.921 -0.342 1.659
85 1HB ARG 33 2HB ARG 33 17.578 1.577 2.473
86 2HB ARG 33 1HB ARG 33 17.075 0.680 3.883
87 1HG ARG 33 2HG ARG 33 18.689 2.196 4.721
88 2HG ARG 33 1HG ARG 33 19.490 0.658 4.688
89 1HD ARG 33 2HD ARG 33 21.086 2.261 3.814
90 2HD ARG 33 1HD ARG 33 20.502 1.263 2.486
91 HE ARG 33 HE ARG 33 19.084 3.816 3.061
92 1HH1 ARG 33 1HH2 ARG 33 21.285 2.084 1.031
93 2HH1 ARG 33 2HH2 ARG 33 21.107 3.127 -0.312
94 1HH2 ARG 33 2HH1 ARG 33 18.847 5.247 1.348
95 2HH2 ARG 33 1HH1 ARG 33 19.706 5.012 -0.107
96 H GLN 34 H GLN 34 17.143 -1.769 4.256
97 HA GLN 34 HA GLN 34 18.858 -2.437 6.232
98 1HB GLN 34 2HB GLN 34 17.806 -4.675 6.468
99 2HB GLN 34 1HB GLN 34 16.618 -3.438 6.192
100 1HG GLN 34 2HG GLN 34 16.200 -4.174 3.932
101 2HG GLN 34 1HG GLN 34 17.626 -5.211 3.900
102 1HE2 GLN 34 1HE2 GLN 34 17.135 -7.398 4.361
103 2HE2 GLN 34 2HE2 GLN 34 15.809 -7.875 5.311
104 H ARG 35 H ARG 35 19.070 -4.089 3.107
105 HA ARG 35 HA ARG 35 21.313 -5.719 4.011
106 1HB ARG 35 2HB ARG 35 21.381 -6.452 1.604
107 2HB ARG 35 1HB ARG 35 19.828 -6.666 2.359
108 1HG ARG 35 2HG ARG 35 19.466 -5.863 0.105
109 2HG ARG 35 1HG ARG 35 18.983 -4.585 1.190
110 1HD ARG 35 2HD ARG 35 20.849 -3.236 0.664
111 2HD ARG 35 1HD ARG 35 21.803 -4.579 0.074
112 HE ARG 35 HE ARG 35 19.384 -3.443 -1.285
113 1HH1 ARG 35 1HH2 ARG 35 22.502 -5.001 -1.462
114 2HH1 ARG 35 2HH2 ARG 35 22.563 -5.031 -3.160
115 1HH2 ARG 35 2HH1 ARG 35 19.422 -3.458 -3.525
116 2HH2 ARG 35 1HH1 ARG 35 20.737 -4.140 -4.387
117 H TYR 36 H TYR 36 21.701 -2.924 4.276
118 HA TYR 36 HA TYR 36 24.123 -2.515 2.636
119 1HB TYR 36 2HB TYR 36 22.120 -1.004 2.060
120 2HB TYR 36 1HB TYR 36 22.180 -0.413 3.705
121 HD1 TYR 36 HD1 TYR 36 24.127 0.985 4.471
122 HD2 TYR 36 HD2 TYR 36 23.703 -0.199 0.401
123 HE1 TYR 36 HE1 TYR 36 25.734 2.693 3.808
124 HE2 TYR 36 HE2 TYR 36 25.324 1.524 -0.255
125 HH TYR 36 HH TYR 36 27.354 3.077 1.840
126 1HT TYR 36 1HT TYR 36 24.967 -3.813 4.614
127 2HT TYR 36 2HT TYR 36 25.270 -2.934 6.037
Start of MODEL 14
1 1H ACE 24 1HA ACE 24 1.738 6.928 -3.476
2 2H ACE 24 2HA ACE 24 1.947 8.139 -2.211
3 3H ACE 24 3HA ACE 24 0.647 6.956 -2.091
4 H ALA 24 H ALA 24 1.072 5.388 -0.710
5 HA ALA 24 HA ALA 24 3.103 4.843 0.924
6 1HB ALA 24 1HB ALA 24 1.605 2.677 -0.620
7 2HB ALA 24 2HB ALA 24 1.052 3.454 0.855
8 3HB ALA 24 3HB ALA 24 2.473 2.427 0.887
9 H ARG 25 H ARG 25 3.036 3.555 -2.261
10 HA ARG 25 HA ARG 25 5.204 1.952 -2.568
11 1HB ARG 25 2HB ARG 25 5.510 2.754 -4.849
12 2HB ARG 25 1HB ARG 25 3.803 2.700 -4.482
13 1HG ARG 25 2HG ARG 25 3.759 5.162 -4.146
14 2HG ARG 25 1HG ARG 25 5.498 5.254 -4.384
15 1HD ARG 25 2HD ARG 25 5.111 4.167 -6.707
16 2HD ARG 25 1HD ARG 25 3.419 4.457 -6.429
17 HE ARG 25 HE ARG 25 3.772 6.823 -6.358
18 1HH1 ARG 25 1HH2 ARG 25 6.592 5.017 -7.250
19 2HH1 ARG 25 2HH2 ARG 25 7.367 6.326 -8.032
20 1HH2 ARG 25 2HH1 ARG 25 4.752 8.576 -7.323
21 2HH2 ARG 25 1HH1 ARG 25 6.292 8.427 -8.044
22 H HIS 26 H HIS 26 5.422 5.377 -2.137
23 HA HIS 26 HA HIS 26 8.108 5.868 -2.686
24 1HB HIS 26 2HB HIS 26 6.359 7.621 -2.094
25 2HB HIS 26 1HB HIS 26 6.306 7.007 -0.460
26 HD1 HIS 26 HD1 HIS 26 9.202 8.221 -2.626
27 HD2 HIS 26 HD2 HIS 26 7.512 8.692 1.148
28 HE1 HIS 26 HE1 HIS 26 10.572 9.839 -1.313
29 H TYR 27 H TYR 27 6.955 4.135 -0.135
30 HA TYR 27 HA TYR 27 9.551 4.183 1.295
31 1HB TYR 27 2HB TYR 27 6.813 3.062 1.977
32 2HB TYR 27 1HB TYR 27 8.217 2.630 2.913
33 HD1 TYR 27 HD1 TYR 27 6.473 3.559 4.628
34 HD2 TYR 27 HD2 TYR 27 8.629 6.084 1.946
35 HE1 TYR 27 HE1 TYR 27 6.088 5.453 6.109
36 HE2 TYR 27 HE2 TYR 27 8.236 7.979 3.449
37 HH TYR 27 HH TYR 27 6.799 7.622 6.612
38 H LYS 28 H LYS 28 8.633 2.646 -1.186
39 HA LYS 28 HA LYS 28 9.135 -0.168 -0.654
40 1HB LYS 28 2HB LYS 28 8.053 0.483 -2.772
41 2HB LYS 28 1HB LYS 28 9.470 1.389 -3.258
42 1HG LYS 28 2HG LYS 28 9.962 -1.500 -2.516
43 2HG LYS 28 1HG LYS 28 9.053 -1.239 -3.982
44 1HD LYS 28 2HD LYS 28 10.787 -0.016 -4.996
45 2HD LYS 28 1HD LYS 28 11.672 0.258 -3.523
46 1HE LYS 28 2HE LYS 28 11.259 -2.549 -4.654
47 2HE LYS 28 1HE LYS 28 12.694 -1.570 -4.964
48 1HZ LYS 28 HZ LYS 28 11.787 -2.166 -2.180
49 H ASN 29 H ASN 29 11.126 2.406 -1.926
50 HA ASN 29 HA ASN 29 13.595 1.062 -2.171
51 1HB ASN 29 2HB ASN 29 13.134 3.501 -2.804
52 2HB ASN 29 1HB ASN 29 13.315 3.930 -1.112
53 1HD2 ASN 29 1HD2 ASN 29 15.032 3.716 -3.979
54 2HD2 ASN 29 2HD2 ASN 29 16.591 3.583 -3.315
55 H LEU 30 H LEU 30 12.553 2.901 0.607
56 HA LEU 30 HA LEU 30 14.471 2.570 2.492
57 1HB LEU 30 2HB LEU 30 11.498 2.181 3.057
58 2HB LEU 30 1HB LEU 30 12.714 2.625 4.230
59 HG LEU 30 HG LEU 30 11.765 4.318 1.865
60 1HD1 LEU 30 1HD1 LEU 30 11.665 4.758 4.888
61 2HD1 LEU 30 2HD1 LEU 30 10.308 4.291 3.880
62 3HD1 LEU 30 3HD1 LEU 30 11.050 5.862 3.670
63 1HD2 LEU 30 1HD2 LEU 30 13.351 6.050 2.647
64 2HD2 LEU 30 2HD2 LEU 30 14.243 4.635 2.151
65 3HD2 LEU 30 3HD2 LEU 30 13.989 4.959 3.861
66 H ILE 31 H ILE 31 11.889 0.131 2.269
67 HA ILE 31 HA ILE 31 13.062 -1.625 4.180
68 HB ILE 31 HB ILE 31 11.239 -2.258 1.781
69 1HG1 ILE 31 2HG1 ILE 31 10.659 -1.513 4.699
70 2HG1 ILE 31 1HG1 ILE 31 10.245 -0.573 3.281
71 1HG2 ILE 31 1HG2 ILE 31 10.570 -4.315 3.038
72 2HG2 ILE 31 2HG2 ILE 31 11.696 -3.913 4.325
73 3HG2 ILE 31 3HG2 ILE 31 12.285 -4.362 2.738
74 1HD1 ILE 31 1HD1 ILE 31 9.054 -3.284 4.002
75 2HD1 ILE 31 2HD1 ILE 31 8.692 -2.379 2.541
76 3HD1 ILE 31 3HD1 ILE 31 8.258 -1.731 4.114
77 H GLU 32 H GLU 32 14.085 -0.938 1.100
78 HA GLU 32 HA GLU 32 15.695 -3.471 0.913
79 1HB GLU 32 2HB GLU 32 15.478 -1.234 -1.152
80 2HB GLU 32 1HB GLU 32 16.115 -2.837 -1.416
81 1HG GLU 32 2HG GLU 32 13.867 -3.821 -1.140
82 2HG GLU 32 1HG GLU 32 13.222 -2.262 -0.645
83 H ARG 33 H ARG 33 16.021 -0.992 2.675
84 HA ARG 33 HA ARG 33 18.716 -0.196 1.742
85 1HB ARG 33 2HB ARG 33 16.870 1.527 2.552
86 2HB ARG 33 1HB ARG 33 17.280 0.988 4.161
87 1HG ARG 33 2HG ARG 33 18.608 3.004 3.609
88 2HG ARG 33 1HG ARG 33 19.673 1.623 3.787
89 1HD ARG 33 2HD ARG 33 19.837 1.343 1.337
90 2HD ARG 33 1HD ARG 33 18.564 2.495 1.072
91 HE ARG 33 HE ARG 33 21.261 3.091 2.259
92 1HH1 ARG 33 1HH2 ARG 33 18.576 4.006 0.218
93 2HH1 ARG 33 2HH2 ARG 33 19.300 5.464 -0.290
94 1HH2 ARG 33 2HH1 ARG 33 22.217 4.982 1.624
95 2HH2 ARG 33 1HH1 ARG 33 21.437 6.054 0.547
96 H GLN 34 H GLN 34 17.080 -1.588 4.434
97 HA GLN 34 HA GLN 34 19.108 -1.884 6.329
98 1HB GLN 34 2HB GLN 34 16.749 -2.741 6.619
99 2HB GLN 34 1HB GLN 34 17.061 -4.010 5.452
100 1HG GLN 34 2HG GLN 34 18.681 -5.077 6.972
101 2HG GLN 34 1HG GLN 34 18.594 -3.712 8.077
102 1HE2 GLN 34 1HE2 GLN 34 17.293 -6.808 7.586
103 2HE2 GLN 34 2HE2 GLN 34 15.886 -6.570 8.508
104 H ARG 35 H ARG 35 18.476 -3.812 3.534
105 HA ARG 35 HA ARG 35 20.960 -5.353 3.743
106 1HB ARG 35 2HB ARG 35 18.533 -6.171 3.059
107 2HB ARG 35 1HB ARG 35 18.943 -5.501 1.492
108 1HG ARG 35 2HG ARG 35 21.031 -6.976 1.530
109 2HG ARG 35 1HG ARG 35 20.375 -7.749 2.963
110 1HD ARG 35 2HD ARG 35 18.178 -7.968 1.457
111 2HD ARG 35 1HD ARG 35 19.272 -7.782 0.118
112 HE ARG 35 HE ARG 35 19.229 -9.967 2.144
113 1HH1 ARG 35 1HH2 ARG 35 20.684 -8.677 -0.709
114 2HH1 ARG 35 2HH2 ARG 35 21.384 -10.159 -1.208
115 1HH2 ARG 35 2HH1 ARG 35 20.173 -11.905 1.596
116 2HH2 ARG 35 1HH1 ARG 35 21.121 -12.039 0.180
117 H TYR 36 H TYR 36 21.223 -2.509 3.195
118 HA TYR 36 HA TYR 36 22.509 -2.590 0.526
119 1HB TYR 36 2HB TYR 36 20.365 -1.138 0.691
120 2HB TYR 36 1HB TYR 36 21.252 -0.159 1.852
121 HD1 TYR 36 HD1 TYR 36 23.511 0.946 1.010
122 HD2 TYR 36 HD2 TYR 36 20.593 -0.680 -1.637
123 HE1 TYR 36 HE1 TYR 36 24.479 2.207 -0.827
124 HE2 TYR 36 HE2 TYR 36 21.573 0.604 -3.479
125 HH TYR 36 HH TYR 36 24.556 1.921 -3.449
126 1HT TYR 36 1HT TYR 36 24.426 -3.276 1.781
127 2HT TYR 36 2HT TYR 36 25.297 -2.131 2.688
Start of MODEL 15
1 1H ACE 24 1HA ACE 24 1.603 7.209 -2.487
2 2H ACE 24 2HA ACE 24 2.083 8.131 -1.064
3 3H ACE 24 3HA ACE 24 0.731 7.003 -0.965
4 H ALA 24 H ALA 24 1.252 5.181 0.012
5 HA ALA 24 HA ALA 24 3.469 4.242 1.158
6 1HB ALA 24 1HB ALA 24 1.583 2.463 -0.478
7 2HB ALA 24 2HB ALA 24 1.335 2.977 1.184
8 3HB ALA 24 3HB ALA 24 2.664 1.909 0.790
9 H ARG 25 H ARG 25 2.833 3.667 -2.165
10 HA ARG 25 HA ARG 25 4.850 2.039 -3.062
11 1HB ARG 25 2HB ARG 25 3.092 3.764 -4.372
12 2HB ARG 25 1HB ARG 25 4.620 4.556 -4.709
13 1HG ARG 25 2HG ARG 25 5.519 2.331 -5.553
14 2HG ARG 25 1HG ARG 25 3.932 1.648 -5.312
15 1HD ARG 25 2HD ARG 25 4.085 2.228 -7.623
16 2HD ARG 25 1HD ARG 25 3.000 3.400 -6.932
17 HE ARG 25 HE ARG 25 5.909 3.835 -7.553
18 1HH1 ARG 25 1HH2 ARG 25 2.751 5.169 -7.100
19 2HH1 ARG 25 2HH2 ARG 25 3.182 6.741 -7.624
20 1HH2 ARG 25 2HH1 ARG 25 6.530 5.850 -8.218
21 2HH2 ARG 25 1HH1 ARG 25 5.412 7.139 -8.255
22 H HIS 26 H HIS 26 5.218 5.497 -2.495
23 HA HIS 26 HA HIS 26 8.079 5.496 -3.023
24 1HB HIS 26 2HB HIS 26 6.297 7.561 -1.682
25 2HB HIS 26 1HB HIS 26 7.963 7.841 -2.151
26 HD1 HIS 26 HD1 HIS 26 6.332 9.702 -3.523
27 HD2 HIS 26 HD2 HIS 26 6.629 5.813 -4.956
28 HE1 HIS 26 HE1 HIS 26 5.678 9.678 -5.931
29 H TYR 27 H TYR 27 7.063 3.709 -0.854
30 HA TYR 27 HA TYR 27 9.008 4.565 1.226
31 1HB TYR 27 2HB TYR 27 6.325 4.674 1.705
32 2HB TYR 27 1HB TYR 27 6.528 2.953 1.948
33 HD1 TYR 27 HD1 TYR 27 8.205 2.157 3.751
34 HD2 TYR 27 HD2 TYR 27 7.043 6.231 3.327
35 HE1 TYR 27 HE1 TYR 27 9.050 2.642 5.994
36 HE2 TYR 27 HE2 TYR 27 7.886 6.711 5.570
37 HH TYR 27 HH TYR 27 8.459 5.552 7.665
38 H LYS 28 H LYS 28 8.529 2.659 -1.124
39 HA LYS 28 HA LYS 28 9.065 -0.028 -0.095
40 1HB LYS 28 2HB LYS 28 7.948 0.239 -2.220
41 2HB LYS 28 1HB LYS 28 9.253 1.191 -2.884
42 1HG LYS 28 2HG LYS 28 10.042 -1.535 -1.868
43 2HG LYS 28 1HG LYS 28 8.967 -1.539 -3.242
44 1HD LYS 28 2HD LYS 28 10.449 -0.175 -4.532
45 2HD LYS 28 1HD LYS 28 11.524 0.117 -3.187
46 1HE LYS 28 2HE LYS 28 11.017 -2.690 -4.269
47 2HE LYS 28 1HE LYS 28 12.387 -1.688 -4.755
48 1HZ LYS 28 HZ LYS 28 11.842 -2.411 -1.903
49 H ASN 29 H ASN 29 11.026 2.271 -1.848
50 HA ASN 29 HA ASN 29 13.542 1.185 -1.931
51 1HB ASN 29 2HB ASN 29 12.530 3.919 -1.892
52 2HB ASN 29 1HB ASN 29 13.932 3.872 -0.846
53 1HD2 ASN 29 1HD2 ASN 29 13.493 1.866 -3.828
54 2HD2 ASN 29 2HD2 ASN 29 14.814 2.600 -4.604
55 H LEU 30 H LEU 30 12.351 2.922 0.828
56 HA LEU 30 HA LEU 30 14.385 2.666 2.663
57 1HB LEU 30 2HB LEU 30 11.367 2.531 3.109
58 2HB LEU 30 1HB LEU 30 12.497 2.660 4.433
59 HG LEU 30 HG LEU 30 12.287 4.691 2.140
60 1HD1 LEU 30 1HD1 LEU 30 11.293 6.161 3.876
61 2HD1 LEU 30 2HD1 LEU 30 11.378 4.859 5.050
62 3HD1 LEU 30 3HD1 LEU 30 10.329 4.718 3.652
63 1HD2 LEU 30 1HD2 LEU 30 13.768 6.080 3.578
64 2HD2 LEU 30 2HD2 LEU 30 14.597 4.602 3.176
65 3HD2 LEU 30 3HD2 LEU 30 13.876 4.796 4.766
66 H ILE 31 H ILE 31 12.252 0.067 1.835
67 HA ILE 31 HA ILE 31 13.292 -1.632 4.044
68 HB ILE 31 HB ILE 31 11.480 -2.166 1.708
69 1HG1 ILE 31 2HG1 ILE 31 10.727 -1.275 4.560
70 2HG1 ILE 31 1HG1 ILE 31 10.479 -0.357 3.088
71 1HG2 ILE 31 1HG2 ILE 31 10.523 -4.112 3.110
72 2HG2 ILE 31 2HG2 ILE 31 11.728 -3.745 4.337
73 3HG2 ILE 31 3HG2 ILE 31 12.213 -4.327 2.755
74 1HD1 ILE 31 1HD1 ILE 31 8.845 -2.057 2.286
75 2HD1 ILE 31 2HD1 ILE 31 8.346 -1.324 3.803
76 3HD1 ILE 31 3HD1 ILE 31 9.018 -2.940 3.798
77 H GLU 32 H GLU 32 14.404 -0.702 1.317
78 HA GLU 32 HA GLU 32 15.919 -3.254 0.739
79 1HB GLU 32 2HB GLU 32 15.294 -0.911 -1.118
80 2HB GLU 32 1HB GLU 32 16.266 -2.298 -1.564
81 1HG GLU 32 2HG GLU 32 14.355 -3.816 -1.231
82 2HG GLU 32 1HG GLU 32 13.400 -2.512 -0.535
83 H ARG 33 H ARG 33 16.341 -1.066 2.665
84 HA ARG 33 HA ARG 33 19.007 -0.045 1.758
85 1HB ARG 33 2HB ARG 33 17.538 1.723 2.666
86 2HB ARG 33 1HB ARG 33 17.168 0.776 4.095
87 1HG ARG 33 2HG ARG 33 19.535 0.937 4.861
88 2HG ARG 33 1HG ARG 33 19.985 1.747 3.373
89 1HD ARG 33 2HD ARG 33 18.761 3.753 3.978
90 2HD ARG 33 1HD ARG 33 17.901 2.903 5.247
91 HE ARG 33 HE ARG 33 20.886 3.348 5.315
92 1HH1 ARG 33 1HH2 ARG 33 17.808 3.558 6.851
93 2HH1 ARG 33 2HH2 ARG 33 18.404 4.087 8.359
94 1HH2 ARG 33 2HH1 ARG 33 21.761 4.016 7.268
95 2HH2 ARG 33 1HH1 ARG 33 20.744 4.359 8.598
96 H GLN 34 H GLN 34 17.350 -1.532 4.353
97 HA GLN 34 HA GLN 34 19.075 -2.276 6.283
98 1HB GLN 34 2HB GLN 34 17.094 -4.125 4.867
99 2HB GLN 34 1HB GLN 34 17.869 -4.555 6.370
100 1HG GLN 34 2HG GLN 34 15.631 -3.649 6.863
101 2HG GLN 34 1HG GLN 34 16.828 -2.517 7.448
102 1HE2 GLN 34 1HE2 GLN 34 15.396 -0.613 7.247
103 2HE2 GLN 34 2HE2 GLN 34 14.900 -0.076 5.701
104 H ARG 35 H ARG 35 18.796 -4.631 3.610
105 HA ARG 35 HA ARG 35 21.532 -5.527 4.242
106 1HB ARG 35 2HB ARG 35 21.129 -7.442 2.783
107 2HB ARG 35 1HB ARG 35 19.809 -7.286 3.917
108 1HG ARG 35 2HG ARG 35 18.363 -6.314 2.157
109 2HG ARG 35 1HG ARG 35 19.699 -6.328 1.014
110 1HD ARG 35 2HD ARG 35 19.839 -8.794 1.128
111 2HD ARG 35 1HD ARG 35 18.565 -8.863 2.337
112 HE ARG 35 HE ARG 35 17.105 -7.712 0.576
113 1HH1 ARG 35 1HH2 ARG 35 19.640 -9.894 -0.345
114 2HH1 ARG 35 2HH2 ARG 35 18.902 -10.361 -1.818
115 1HH2 ARG 35 2HH1 ARG 35 16.140 -8.222 -1.307
116 2HH2 ARG 35 1HH1 ARG 35 16.824 -9.357 -2.389
117 H TYR 36 H TYR 36 20.269 -3.230 2.262
118 HA TYR 36 HA TYR 36 22.599 -3.334 0.461
119 1HB TYR 36 2HB TYR 36 20.659 -4.299 -0.754
120 2HB TYR 36 1HB TYR 36 19.671 -2.924 -0.321
121 HD1 TYR 36 HD1 TYR 36 22.924 -3.649 -2.110
122 HD2 TYR 36 HD2 TYR 36 19.420 -1.241 -1.851
123 HE1 TYR 36 HE1 TYR 36 23.567 -2.476 -4.176
124 HE2 TYR 36 HE2 TYR 36 20.065 -0.086 -3.907
125 HH TYR 36 HH TYR 36 22.915 0.068 -5.137
126 1HT TYR 36 1HT TYR 36 23.125 -1.791 2.348
127 2HT TYR 36 2HT TYR 36 22.668 -0.167 2.150
Start of MODEL 16
1 1H ACE 24 1HA ACE 24 -0.324 3.831 -2.463
2 2H ACE 24 2HA ACE 24 0.154 2.138 -2.333
3 3H ACE 24 3HA ACE 24 0.643 3.087 -3.735
4 H ALA 24 H ALA 24 1.795 1.863 -0.900
5 HA ALA 24 HA ALA 24 3.522 4.174 -0.220
6 1HB ALA 24 1HB ALA 24 4.307 2.697 1.618
7 2HB ALA 24 2HB ALA 24 3.359 1.374 0.969
8 3HB ALA 24 3HB ALA 24 2.558 2.801 1.612
9 H ARG 25 H ARG 25 3.674 2.578 -2.754
10 HA ARG 25 HA ARG 25 5.982 0.991 -2.936
11 1HB ARG 25 2HB ARG 25 6.071 1.552 -5.313
12 2HB ARG 25 1HB ARG 25 4.402 1.382 -4.876
13 1HG ARG 25 2HG ARG 25 5.805 4.090 -5.214
14 2HG ARG 25 1HG ARG 25 4.944 3.258 -6.469
15 1HD ARG 25 2HD ARG 25 2.804 3.398 -5.157
16 2HD ARG 25 1HD ARG 25 3.687 4.272 -3.904
17 HE ARG 25 HE ARG 25 3.679 5.269 -6.707
18 1HH1 ARG 25 1HH2 ARG 25 2.827 5.799 -3.364
19 2HH1 ARG 25 2HH2 ARG 25 2.519 7.458 -3.574
20 1HH2 ARG 25 2HH1 ARG 25 3.225 7.419 -7.011
21 2HH2 ARG 25 1HH1 ARG 25 2.718 8.395 -5.706
22 H HIS 26 H HIS 26 5.633 4.456 -3.085
23 HA HIS 26 HA HIS 26 8.501 4.952 -3.308
24 1HB HIS 26 2HB HIS 26 6.632 6.493 -4.188
25 2HB HIS 26 1HB HIS 26 6.320 6.928 -2.509
26 HD1 HIS 26 HD1 HIS 26 9.447 6.766 -4.666
27 HD2 HIS 26 HD2 HIS 26 7.569 9.142 -1.821
28 HE1 HIS 26 HE1 HIS 26 10.840 8.792 -4.248
29 H TYR 27 H TYR 27 7.447 3.385 -1.004
30 HA TYR 27 HA TYR 27 8.885 4.847 1.119
31 1HB TYR 27 2HB TYR 27 6.144 4.621 1.157
32 2HB TYR 27 1HB TYR 27 6.548 3.057 1.838
33 HD1 TYR 27 HD1 TYR 27 8.179 3.048 3.922
34 HD2 TYR 27 HD2 TYR 27 6.123 6.529 2.557
35 HE1 TYR 27 HE1 TYR 27 8.526 4.101 6.082
36 HE2 TYR 27 HE2 TYR 27 6.482 7.575 4.735
37 HH TYR 27 HH TYR 27 8.051 5.909 7.410
38 H LYS 28 H LYS 28 9.039 2.573 -0.940
39 HA LYS 28 HA LYS 28 9.684 0.253 0.725
40 1HB LYS 28 2HB LYS 28 9.825 0.833 -2.247
41 2HB LYS 28 1HB LYS 28 10.632 -0.552 -1.582
42 1HG LYS 28 2HG LYS 28 8.122 -0.788 -0.424
43 2HG LYS 28 1HG LYS 28 7.752 -0.024 -1.953
44 1HD LYS 28 2HD LYS 28 7.633 -2.397 -2.326
45 2HD LYS 28 1HD LYS 28 9.077 -1.822 -3.125
46 1HE LYS 28 2HE LYS 28 9.390 -2.791 -0.276
47 2HE LYS 28 1HE LYS 28 9.106 -3.989 -1.526
48 1HZ LYS 28 HZ LYS 28 11.123 -2.964 -2.709
49 H ASN 29 H ASN 29 11.382 2.634 -1.163
50 HA ASN 29 HA ASN 29 13.999 1.981 -1.288
51 1HB ASN 29 2HB ASN 29 13.052 4.258 -1.748
52 2HB ASN 29 1HB ASN 29 12.977 4.583 -0.030
53 1HD2 ASN 29 1HD2 ASN 29 14.760 5.410 -2.631
54 2HD2 ASN 29 2HD2 ASN 29 16.273 5.596 -1.880
55 H LEU 30 H LEU 30 12.609 3.197 1.689
56 HA LEU 30 HA LEU 30 14.818 2.793 3.410
57 1HB LEU 30 2HB LEU 30 11.827 2.870 3.921
58 2HB LEU 30 1HB LEU 30 12.978 2.742 5.216
59 HG LEU 30 HG LEU 30 12.237 5.077 4.849
60 1HD1 LEU 30 1HD1 LEU 30 14.470 6.141 4.820
61 2HD1 LEU 30 2HD1 LEU 30 15.198 4.675 4.211
62 3HD1 LEU 30 3HD1 LEU 30 14.475 4.697 5.809
63 1HD2 LEU 30 1HD2 LEU 30 13.642 4.951 2.147
64 2HD2 LEU 30 2HD2 LEU 30 12.933 6.368 2.878
65 3HD2 LEU 30 3HD2 LEU 30 11.892 5.052 2.381
66 H ILE 31 H ILE 31 12.010 0.811 2.915
67 HA ILE 31 HA ILE 31 12.868 -1.411 4.537
68 HB ILE 31 HB ILE 31 10.731 -1.215 2.312
69 1HG1 ILE 31 2HG1 ILE 31 10.383 -0.868 5.350
70 2HG1 ILE 31 1HG1 ILE 31 10.513 0.485 4.248
71 1HG2 ILE 31 1HG2 ILE 31 10.930 -3.201 4.624
72 2HG2 ILE 31 2HG2 ILE 31 11.217 -3.566 2.937
73 3HG2 ILE 31 3HG2 ILE 31 9.613 -3.126 3.462
74 1HD1 ILE 31 1HD1 ILE 31 8.500 -0.264 3.028
75 2HD1 ILE 31 2HD1 ILE 31 8.154 0.031 4.724
76 3HD1 ILE 31 3HD1 ILE 31 8.315 -1.615 4.136
77 H GLU 32 H GLU 32 13.598 -0.401 1.457
78 HA GLU 32 HA GLU 32 14.743 -3.071 0.709
79 1HB GLU 32 2HB GLU 32 13.729 -0.716 -0.906
80 2HB GLU 32 1HB GLU 32 15.095 -1.574 -1.570
81 1HG GLU 32 2HG GLU 32 13.166 -2.554 -2.578
82 2HG GLU 32 1HG GLU 32 13.734 -3.729 -1.415
83 H ARG 33 H ARG 33 15.698 -0.898 2.569
84 HA ARG 33 HA ARG 33 18.294 -0.234 1.247
85 1HB ARG 33 2HB ARG 33 16.837 1.524 2.506
86 2HB ARG 33 1HB ARG 33 17.309 0.720 3.988
87 1HG ARG 33 2HG ARG 33 19.345 1.765 1.968
88 2HG ARG 33 1HG ARG 33 18.714 2.773 3.245
89 1HD ARG 33 2HD ARG 33 19.686 1.092 4.958
90 2HD ARG 33 1HD ARG 33 20.275 0.171 3.613
91 HE ARG 33 HE ARG 33 21.917 1.621 3.135
92 1HH1 ARG 33 1HH2 ARG 33 19.728 2.890 5.416
93 2HH1 ARG 33 2HH2 ARG 33 20.697 4.198 5.970
94 1HH2 ARG 33 2HH1 ARG 33 23.332 3.315 3.749
95 2HH2 ARG 33 1HH1 ARG 33 22.861 4.450 4.935
96 H GLN 34 H GLN 34 16.834 -1.821 3.917
97 HA GLN 34 HA GLN 34 18.653 -2.721 5.656
98 1HB GLN 34 2HB GLN 34 16.629 -4.470 4.204
99 2HB GLN 34 1HB GLN 34 17.418 -4.931 5.704
100 1HG GLN 34 2HG GLN 34 16.501 -2.850 6.783
101 2HG GLN 34 1HG GLN 34 15.647 -2.454 5.295
102 1HE2 GLN 34 1HE2 GLN 34 14.847 -3.498 8.173
103 2HE2 GLN 34 2HE2 GLN 34 13.698 -4.684 7.771
104 H ARG 35 H ARG 35 18.889 -3.939 2.338
105 HA ARG 35 HA ARG 35 20.995 -5.830 3.134
106 1HB ARG 35 2HB ARG 35 19.425 -5.347 0.586
107 2HB ARG 35 1HB ARG 35 21.004 -6.055 0.424
108 1HG ARG 35 2HG ARG 35 19.519 -7.897 0.532
109 2HG ARG 35 1HG ARG 35 20.329 -7.852 2.073
110 1HD ARG 35 2HD ARG 35 18.303 -6.716 3.066
111 2HD ARG 35 1HD ARG 35 17.484 -6.856 1.526
112 HE ARG 35 HE ARG 35 18.478 -9.151 3.193
113 1HH1 ARG 35 1HH2 ARG 35 16.254 -7.982 0.795
114 2HH1 ARG 35 2HH2 ARG 35 15.379 -9.446 0.703
115 1HH2 ARG 35 2HH1 ARG 35 17.374 -11.059 3.113
116 2HH2 ARG 35 1HH1 ARG 35 16.033 -11.256 2.083
117 H TYR 36 H TYR 36 20.769 -2.753 1.883
118 HA TYR 36 HA TYR 36 23.642 -2.607 1.216
119 1HB TYR 36 2HB TYR 36 21.437 -0.729 0.233
120 2HB TYR 36 1HB TYR 36 23.068 -0.874 -0.406
121 HD1 TYR 36 HD1 TYR 36 23.713 -3.446 -1.070
122 HD2 TYR 36 HD2 TYR 36 19.760 -1.853 -0.983
123 HE1 TYR 36 HE1 TYR 36 22.965 -5.218 -2.565
124 HE2 TYR 36 HE2 TYR 36 19.020 -3.628 -2.485
125 HH TYR 36 HH TYR 36 21.213 -5.781 -4.048
126 1HT TYR 36 1HT TYR 36 23.614 -2.422 3.722
127 2HT TYR 36 2HT TYR 36 23.480 -0.854 4.365
Start of MODEL 17
1 1H ACE 24 1HA ACE 24 0.509 -0.071 -0.544
2 2H ACE 24 2HA ACE 24 0.441 0.378 -2.249
3 3H ACE 24 3HA ACE 24 -0.676 1.113 -1.095
4 H ALA 24 H ALA 24 2.168 0.892 0.520
5 HA ALA 24 HA ALA 24 2.737 3.755 0.127
6 1HB ALA 24 1HB ALA 24 4.261 3.422 2.062
7 2HB ALA 24 2HB ALA 24 3.999 1.693 1.987
8 3HB ALA 24 3HB ALA 24 2.675 2.769 2.413
9 H ARG 25 H ARG 25 3.155 2.627 -2.081
10 HA ARG 25 HA ARG 25 5.520 1.407 -2.886
11 1HB ARG 25 2HB ARG 25 3.933 3.622 -4.263
12 2HB ARG 25 1HB ARG 25 5.124 2.626 -5.070
13 1HG ARG 25 2HG ARG 25 3.852 0.616 -4.770
14 2HG ARG 25 1HG ARG 25 2.763 1.358 -3.621
15 1HD ARG 25 2HD ARG 25 1.841 1.110 -5.991
16 2HD ARG 25 1HD ARG 25 1.702 2.698 -5.288
17 HE ARG 25 HE ARG 25 3.873 1.839 -7.201
18 1HH1 ARG 25 1HH2 ARG 25 1.762 4.313 -5.993
19 2HH1 ARG 25 2HH2 ARG 25 2.241 5.484 -7.135
20 1HH2 ARG 25 2HH1 ARG 25 4.567 3.358 -8.687
21 2HH2 ARG 25 1HH1 ARG 25 3.898 4.928 -8.688
22 H HIS 26 H HIS 26 5.003 4.887 -2.721
23 HA HIS 26 HA HIS 26 7.725 5.557 -3.325
24 1HB HIS 26 2HB HIS 26 5.649 7.141 -3.417
25 2HB HIS 26 1HB HIS 26 5.811 7.279 -1.675
26 HD1 HIS 26 HD1 HIS 26 6.212 9.853 -2.333
27 HD2 HIS 26 HD2 HIS 26 9.256 7.213 -3.339
28 HE1 HIS 26 HE1 HIS 26 8.287 11.144 -2.800
29 H TYR 27 H TYR 27 6.553 4.068 -0.698
30 HA TYR 27 HA TYR 27 8.742 5.048 1.089
31 1HB TYR 27 2HB TYR 27 6.056 5.022 1.588
32 2HB TYR 27 1HB TYR 27 6.479 3.432 2.179
33 HD1 TYR 27 HD1 TYR 27 7.180 7.044 2.590
34 HD2 TYR 27 HD2 TYR 27 7.705 3.148 4.231
35 HE1 TYR 27 HE1 TYR 27 8.000 8.032 4.680
36 HE2 TYR 27 HE2 TYR 27 8.522 4.134 6.311
37 HH TYR 27 HH TYR 27 8.876 6.074 7.475
38 H LYS 28 H LYS 28 8.468 2.917 -1.036
39 HA LYS 28 HA LYS 28 9.034 0.436 0.478
40 1HB LYS 28 2HB LYS 28 7.850 0.760 -1.916
41 2HB LYS 28 1HB LYS 28 9.482 0.675 -2.524
42 1HG LYS 28 2HG LYS 28 8.087 -1.458 -0.842
43 2HG LYS 28 1HG LYS 28 8.352 -1.541 -2.566
44 1HD LYS 28 2HD LYS 28 10.540 -1.539 -0.441
45 2HD LYS 28 1HD LYS 28 9.979 -2.927 -1.338
46 1HE LYS 28 2HE LYS 28 10.723 -1.913 -3.471
47 2HE LYS 28 1HE LYS 28 11.274 -0.477 -2.617
48 1HZ LYS 28 HZ LYS 28 12.433 -3.195 -2.124
49 H ASN 29 H ASN 29 10.794 2.643 -1.587
50 HA ASN 29 HA ASN 29 13.299 1.777 -2.015
51 1HB ASN 29 2HB ASN 29 12.195 4.329 -1.798
52 2HB ASN 29 1HB ASN 29 13.437 4.374 -0.577
53 1HD2 ASN 29 1HD2 ASN 29 12.973 4.888 -3.906
54 2HD2 ASN 29 2HD2 ASN 29 14.613 4.775 -4.340
55 H LEU 30 H LEU 30 12.407 3.048 1.115
56 HA LEU 30 HA LEU 30 14.649 2.693 2.659
57 1HB LEU 30 2HB LEU 30 11.732 2.307 3.388
58 2HB LEU 30 1HB LEU 30 13.000 2.263 4.582
59 HG LEU 30 HG LEU 30 11.906 4.483 4.439
60 1HD1 LEU 30 1HD1 LEU 30 13.966 5.863 4.353
61 2HD1 LEU 30 2HD1 LEU 30 14.838 4.552 3.590
62 3HD1 LEU 30 3HD1 LEU 30 14.243 4.378 5.239
63 1HD2 LEU 30 1HD2 LEU 30 12.289 5.992 2.531
64 2HD2 LEU 30 2HD2 LEU 30 11.384 4.588 2.021
65 3HD2 LEU 30 3HD2 LEU 30 13.107 4.732 1.648
66 H ILE 31 H ILE 31 12.214 0.157 2.133
67 HA ILE 31 HA ILE 31 13.459 -1.788 3.791
68 HB ILE 31 HB ILE 31 11.637 -1.991 1.304
69 1HG1 ILE 31 2HG1 ILE 31 9.842 -2.629 2.935
70 2HG1 ILE 31 1HG1 ILE 31 10.978 -2.464 4.253
71 1HG2 ILE 31 1HG2 ILE 31 12.338 -4.308 3.163
72 2HG2 ILE 31 2HG2 ILE 31 12.818 -4.174 1.480
73 3HG2 ILE 31 3HG2 ILE 31 11.130 -4.353 1.886
74 1HD1 ILE 31 1HD1 ILE 31 11.146 -0.011 3.808
75 2HD1 ILE 31 2HD1 ILE 31 9.488 -0.495 4.048
76 3HD1 ILE 31 3HD1 ILE 31 10.068 -0.191 2.424
77 H GLU 32 H GLU 32 14.490 -0.604 0.848
78 HA GLU 32 HA GLU 32 16.212 -3.020 0.400
79 1HB GLU 32 2HB GLU 32 15.749 -0.500 -1.279
80 2HB GLU 32 1HB GLU 32 16.881 -1.752 -1.721
81 1HG GLU 32 2HG GLU 32 15.128 -2.794 -2.801
82 2HG GLU 32 1HG GLU 32 14.496 -3.206 -1.222
83 H ARG 33 H ARG 33 16.442 -1.165 2.629
84 HA ARG 33 HA ARG 33 19.155 -0.008 2.200
85 1HB ARG 33 2HB ARG 33 17.505 1.540 3.217
86 2HB ARG 33 1HB ARG 33 17.093 0.387 4.455
87 1HG ARG 33 2HG ARG 33 18.528 1.866 5.564
88 2HG ARG 33 1HG ARG 33 19.521 0.474 5.269
89 1HD ARG 33 2HD ARG 33 21.033 1.968 4.423
90 2HD ARG 33 1HD ARG 33 20.058 1.993 2.975
91 HE ARG 33 HE ARG 33 19.810 3.869 5.300
92 1HH1 ARG 33 1HH2 ARG 33 19.286 3.278 1.884
93 2HH1 ARG 33 2HH2 ARG 33 18.791 4.888 1.578
94 1HH2 ARG 33 2HH1 ARG 33 19.173 5.909 4.918
95 2HH2 ARG 33 1HH1 ARG 33 18.701 6.418 3.357
96 H GLN 34 H GLN 34 17.422 -1.615 4.705
97 HA GLN 34 HA GLN 34 19.324 -2.609 6.408
98 1HB GLN 34 2HB GLN 34 16.899 -4.137 5.348
99 2HB GLN 34 1HB GLN 34 17.840 -4.656 6.737
100 1HG GLN 34 2HG GLN 34 17.392 -2.536 7.912
101 2HG GLN 34 1HG GLN 34 16.512 -1.897 6.539
102 1HE2 GLN 34 1HE2 GLN 34 14.292 -2.215 6.615
103 2HE2 GLN 34 2HE2 GLN 34 13.538 -3.361 7.633
104 H ARG 35 H ARG 35 18.513 -4.322 3.446
105 HA ARG 35 HA ARG 35 20.752 -6.172 3.856
106 1HB ARG 35 2HB ARG 35 18.806 -6.096 1.516
107 2HB ARG 35 1HB ARG 35 19.763 -7.460 2.047
108 1HG ARG 35 2HG ARG 35 18.477 -7.585 4.190
109 2HG ARG 35 1HG ARG 35 17.551 -6.173 3.753
110 1HD ARG 35 2HD ARG 35 16.158 -8.091 3.273
111 2HD ARG 35 1HD ARG 35 16.668 -7.369 1.754
112 HE ARG 35 HE ARG 35 18.154 -9.663 2.987
113 1HH1 ARG 35 1HH2 ARG 35 16.461 -8.367 0.241
114 2HH1 ARG 35 2HH2 ARG 35 16.878 -9.670 -0.788
115 1HH2 ARG 35 2HH1 ARG 35 18.717 -11.326 1.700
116 2HH2 ARG 35 1HH1 ARG 35 18.196 -11.426 0.077
117 H TYR 36 H TYR 36 21.608 -3.518 3.399
118 HA TYR 36 HA TYR 36 22.937 -3.800 0.761
119 1HB TYR 36 2HB TYR 36 21.202 -1.921 0.892
120 2HB TYR 36 1HB TYR 36 22.167 -1.194 2.165
121 HD1 TYR 36 HD1 TYR 36 22.493 -2.406 -1.389
122 HD2 TYR 36 HD2 TYR 36 23.881 0.310 1.589
123 HE1 TYR 36 HE1 TYR 36 23.904 -1.285 -3.053
124 HE2 TYR 36 HE2 TYR 36 25.280 1.426 -0.086
125 HH TYR 36 HH TYR 36 26.395 0.693 -2.346
126 1HT TYR 36 1HT TYR 36 24.241 -5.030 2.746
127 2HT TYR 36 2HT TYR 36 25.521 -4.087 3.349
Start of MODEL 18
1 1H ACE 24 1HA ACE 24 -0.596 0.972 -1.482
2 2H ACE 24 2HA ACE 24 0.655 0.186 -0.517
3 3H ACE 24 3HA ACE 24 0.796 0.242 -2.276
4 H ALA 24 H ALA 24 1.990 1.621 0.440
5 HA ALA 24 HA ALA 24 2.108 4.408 -0.475
6 1HB ALA 24 1HB ALA 24 3.524 4.730 1.563
7 2HB ALA 24 2HB ALA 24 3.562 2.998 1.818
8 3HB ALA 24 3HB ALA 24 2.044 3.881 1.976
9 H ARG 25 H ARG 25 2.952 3.285 -2.484
10 HA ARG 25 HA ARG 25 5.208 2.212 -3.308
11 1HB ARG 25 2HB ARG 25 3.919 4.779 -4.216
12 2HB ARG 25 1HB ARG 25 5.474 4.402 -4.905
13 1HG ARG 25 2HG ARG 25 3.546 3.566 -6.265
14 2HG ARG 25 1HG ARG 25 4.713 2.335 -5.843
15 1HD ARG 25 2HD ARG 25 3.182 1.472 -4.045
16 2HD ARG 25 1HD ARG 25 2.080 2.792 -4.371
17 HE ARG 25 HE ARG 25 1.563 1.907 -6.509
18 1HH1 ARG 25 1HH2 ARG 25 3.622 -0.220 -4.685
19 2HH1 ARG 25 2HH2 ARG 25 3.203 -1.608 -5.601
20 1HH2 ARG 25 2HH1 ARG 25 1.049 0.147 -7.728
21 2HH2 ARG 25 1HH1 ARG 25 1.733 -1.382 -7.389
22 H HIS 26 H HIS 26 5.493 5.599 -2.323
23 HA HIS 26 HA HIS 26 8.315 5.722 -2.532
24 1HB HIS 26 2HB HIS 26 6.458 7.347 -0.744
25 2HB HIS 26 1HB HIS 26 8.096 7.802 -1.188
26 HD1 HIS 26 HD1 HIS 26 8.435 7.789 -3.959
27 HD2 HIS 26 HD2 HIS 26 4.598 8.251 -2.423
28 HE1 HIS 26 HE1 HIS 26 6.958 8.762 -5.728
29 H TYR 27 H TYR 27 7.062 3.553 -0.588
30 HA TYR 27 HA TYR 27 9.111 3.993 1.535
31 1HB TYR 27 2HB TYR 27 6.426 3.855 1.982
32 2HB TYR 27 1HB TYR 27 6.731 2.137 1.928
33 HD1 TYR 27 HD1 TYR 27 7.797 5.273 3.604
34 HD2 TYR 27 HD2 TYR 27 7.624 1.026 3.878
35 HE1 TYR 27 HE1 TYR 27 8.537 5.392 5.929
36 HE2 TYR 27 HE2 TYR 27 8.364 1.156 6.212
37 HH TYR 27 HH TYR 27 8.222 3.782 8.054
38 H LYS 28 H LYS 28 8.668 2.480 -1.121
39 HA LYS 28 HA LYS 28 9.462 -0.270 -0.449
40 1HB LYS 28 2HB LYS 28 8.162 0.313 -2.557
41 2HB LYS 28 1HB LYS 28 9.607 1.077 -3.187
42 1HG LYS 28 2HG LYS 28 10.032 -1.713 -2.158
43 2HG LYS 28 1HG LYS 28 8.977 -1.611 -3.539
44 1HD LYS 28 2HD LYS 28 10.679 -0.593 -4.896
45 2HD LYS 28 1HD LYS 28 11.735 -0.309 -3.528
46 1HE LYS 28 2HE LYS 28 10.861 -3.129 -4.349
47 2HE LYS 28 1HE LYS 28 12.371 -2.385 -4.890
48 1HZ LYS 28 HZ LYS 28 11.658 -2.655 -1.996
49 H ASN 29 H ASN 29 11.110 2.507 -1.850
50 HA ASN 29 HA ASN 29 13.682 1.120 -1.851
51 1HB ASN 29 2HB ASN 29 13.067 2.918 -3.527
52 2HB ASN 29 1HB ASN 29 13.161 4.103 -2.224
53 1HD2 ASN 29 1HD2 ASN 29 15.139 5.227 -2.685
54 2HD2 ASN 29 2HD2 ASN 29 16.605 4.401 -2.921
55 H LEU 30 H LEU 30 12.331 1.305 0.649
56 HA LEU 30 HA LEU 30 14.388 2.698 2.302
57 1HB LEU 30 2HB LEU 30 11.374 2.626 2.534
58 2HB LEU 30 1HB LEU 30 12.233 2.388 4.038
59 HG LEU 30 HG LEU 30 12.722 4.753 2.156
60 1HD1 LEU 30 1HD1 LEU 30 11.169 4.596 4.799
61 2HD1 LEU 30 2HD1 LEU 30 10.460 4.836 3.213
62 3HD1 LEU 30 3HD1 LEU 30 11.498 6.066 3.898
63 1HD2 LEU 30 1HD2 LEU 30 13.633 4.223 5.042
64 2HD2 LEU 30 2HD2 LEU 30 13.961 5.675 4.118
65 3HD2 LEU 30 3HD2 LEU 30 14.696 4.166 3.647
66 H ILE 31 H ILE 31 11.931 0.154 2.470
67 HA ILE 31 HA ILE 31 13.271 -1.369 4.462
68 HB ILE 31 HB ILE 31 11.550 -2.556 2.188
69 1HG1 ILE 31 2HG1 ILE 31 10.601 -1.245 4.803
70 2HG1 ILE 31 1HG1 ILE 31 10.361 -0.560 3.213
71 1HG2 ILE 31 1HG2 ILE 31 11.902 -3.382 5.128
72 2HG2 ILE 31 2HG2 ILE 31 12.683 -4.175 3.778
73 3HG2 ILE 31 3HG2 ILE 31 10.948 -4.245 3.937
74 1HD1 ILE 31 1HD1 ILE 31 8.992 -2.513 2.540
75 2HD1 ILE 31 2HD1 ILE 31 8.320 -1.683 3.932
76 3HD1 ILE 31 3HD1 ILE 31 9.171 -3.196 4.149
77 H GLU 32 H GLU 32 13.643 -1.178 1.121
78 HA GLU 32 HA GLU 32 15.574 -3.418 0.947
79 1HB GLU 32 2HB GLU 32 14.744 -1.291 -1.071
80 2HB GLU 32 1HB GLU 32 15.897 -2.547 -1.450
81 1HG GLU 32 2HG GLU 32 14.189 -4.307 -1.103
82 2HG GLU 32 1HG GLU 32 13.024 -3.101 -0.559
83 H ARG 33 H ARG 33 16.103 -1.096 2.693
84 HA ARG 33 HA ARG 33 18.664 -0.077 1.548
85 1HB ARG 33 2HB ARG 33 17.080 1.636 2.524
86 2HB ARG 33 1HB ARG 33 17.090 0.791 4.056
87 1HG ARG 33 2HG ARG 33 19.520 1.183 4.307
88 2HG ARG 33 1HG ARG 33 19.590 1.978 2.749
89 1HD ARG 33 2HD ARG 33 18.011 3.773 3.651
90 2HD ARG 33 1HD ARG 33 18.010 2.949 5.188
91 HE ARG 33 HE ARG 33 20.411 3.308 5.402
92 1HH1 ARG 33 1HH2 ARG 33 18.865 5.152 2.917
93 2HH1 ARG 33 2HH2 ARG 33 20.035 6.404 2.900
94 1HH2 ARG 33 2HH1 ARG 33 22.014 4.855 5.367
95 2HH2 ARG 33 1HH1 ARG 33 21.915 6.170 4.284
96 H GLN 34 H GLN 34 17.296 -1.212 4.501
97 HA GLN 34 HA GLN 34 19.274 -1.948 6.167
98 1HB GLN 34 2HB GLN 34 16.840 -2.418 6.530
99 2HB GLN 34 1HB GLN 34 16.924 -3.779 5.427
100 1HG GLN 34 2HG GLN 34 18.443 -4.977 6.930
101 2HG GLN 34 1HG GLN 34 18.627 -3.566 7.958
102 1HE2 GLN 34 1HE2 GLN 34 17.349 -3.761 9.809
103 2HE2 GLN 34 2HE2 GLN 34 15.837 -4.539 9.857
104 H ARG 35 H ARG 35 18.514 -3.809 3.309
105 HA ARG 35 HA ARG 35 20.345 -5.977 3.751
106 1HB ARG 35 2HB ARG 35 20.007 -6.432 1.297
107 2HB ARG 35 1HB ARG 35 18.510 -6.226 2.167
108 1HG ARG 35 2HG ARG 35 18.434 -5.048 -0.025
109 2HG ARG 35 1HG ARG 35 18.260 -3.905 1.286
110 1HD ARG 35 2HD ARG 35 20.505 -3.112 1.040
111 2HD ARG 35 1HD ARG 35 20.992 -4.440 0.014
112 HE ARG 35 HE ARG 35 19.109 -2.200 -0.664
113 1HH1 ARG 35 1HH2 ARG 35 21.308 -4.650 -1.709
114 2HH1 ARG 35 2HH2 ARG 35 21.363 -4.153 -3.345
115 1HH2 ARG 35 2HH1 ARG 35 19.096 -1.498 -2.760
116 2HH2 ARG 35 1HH1 ARG 35 20.044 -2.276 -3.954
117 H TYR 36 H TYR 36 21.285 -2.962 3.548
118 HA TYR 36 HA TYR 36 23.459 -3.128 1.605
119 1HB TYR 36 2HB TYR 36 22.134 -0.988 2.367
120 2HB TYR 36 1HB TYR 36 23.099 -1.065 3.824
121 HD1 TYR 36 HD1 TYR 36 25.701 -0.855 3.597
122 HD2 TYR 36 HD2 TYR 36 23.014 -0.065 0.375
123 HE1 TYR 36 HE1 TYR 36 27.441 0.378 2.432
124 HE2 TYR 36 HE2 TYR 36 24.772 1.172 -0.778
125 HH TYR 36 HH TYR 36 27.853 1.852 0.682
126 1HT TYR 36 1HT TYR 36 24.017 -5.266 2.832
127 2HT TYR 36 2HT TYR 36 25.169 -5.120 4.083
Start of MODEL 19
1 1H ACE 24 1HA ACE 24 0.274 4.073 -1.935
2 2H ACE 24 2HA ACE 24 1.249 5.137 -2.950
3 3H ACE 24 3HA ACE 24 0.644 5.716 -1.397
4 H ALA 24 H ALA 24 1.518 2.567 -0.909
5 HA ALA 24 HA ALA 24 4.009 3.402 0.442
6 1HB ALA 24 1HB ALA 24 2.663 0.666 0.256
7 2HB ALA 24 2HB ALA 24 2.404 1.825 1.555
8 3HB ALA 24 3HB ALA 24 3.980 1.082 1.335
9 H ARG 25 H ARG 25 4.333 3.838 -2.094
10 HA ARG 25 HA ARG 25 5.853 1.543 -3.263
11 1HB ARG 25 2HB ARG 25 4.012 3.065 -4.524
12 2HB ARG 25 1HB ARG 25 5.331 4.197 -4.685
13 1HG ARG 25 2HG ARG 25 5.295 2.884 -6.698
14 2HG ARG 25 1HG ARG 25 6.709 2.402 -5.782
15 1HD ARG 25 2HD ARG 25 5.638 0.357 -5.018
16 2HD ARG 25 1HD ARG 25 4.063 0.879 -5.563
17 HE ARG 25 HE ARG 25 6.415 0.237 -7.324
18 1HH1 ARG 25 1HH2 ARG 25 2.985 0.336 -6.856
19 2HH1 ARG 25 2HH2 ARG 25 2.603 -0.412 -8.342
20 1HH2 ARG 25 2HH1 ARG 25 5.971 -0.733 -9.292
21 2HH2 ARG 25 1HH1 ARG 25 4.360 -1.017 -9.778
22 H HIS 26 H HIS 26 6.095 5.047 -2.795
23 HA HIS 26 HA HIS 26 8.958 5.123 -3.099
24 1HB HIS 26 2HB HIS 26 7.033 7.090 -1.770
25 2HB HIS 26 1HB HIS 26 8.716 7.431 -2.136
26 HD1 HIS 26 HD1 HIS 26 7.218 9.277 -3.557
27 HD2 HIS 26 HD2 HIS 26 7.475 5.420 -5.063
28 HE1 HIS 26 HE1 HIS 26 6.654 9.316 -6.000
29 H TYR 27 H TYR 27 7.257 3.680 -0.789
30 HA TYR 27 HA TYR 27 9.203 4.242 1.374
31 1HB TYR 27 2HB TYR 27 6.279 3.492 1.317
32 2HB TYR 27 1HB TYR 27 7.210 2.585 2.490
33 HD1 TYR 27 HD1 TYR 27 7.214 3.495 4.613
34 HD2 TYR 27 HD2 TYR 27 7.090 6.176 1.303
35 HE1 TYR 27 HE1 TYR 27 7.211 5.390 6.150
36 HE2 TYR 27 HE2 TYR 27 7.084 8.077 2.857
37 HH TYR 27 HH TYR 27 6.985 7.660 6.350
38 H LYS 28 H LYS 28 9.068 2.435 -1.103
39 HA LYS 28 HA LYS 28 9.522 -0.232 -0.069
40 1HB LYS 28 2HB LYS 28 9.952 1.162 -2.733
41 2HB LYS 28 1HB LYS 28 10.574 -0.440 -2.504
42 1HG LYS 28 2HG LYS 28 7.664 0.306 -2.062
43 2HG LYS 28 1HG LYS 28 8.290 -0.347 -3.561
44 1HD LYS 28 2HD LYS 28 8.255 -1.744 -0.847
45 2HD LYS 28 1HD LYS 28 7.265 -2.122 -2.230
46 1HE LYS 28 2HE LYS 28 8.883 -3.683 -2.657
47 2HE LYS 28 1HE LYS 28 9.745 -2.347 -3.397
48 1HZ LYS 28 HZ LYS 28 10.158 -3.160 -0.540
49 H ASN 29 H ASN 29 11.670 2.169 -1.478
50 HA ASN 29 HA ASN 29 14.178 1.020 -1.070
51 1HB ASN 29 2HB ASN 29 13.585 3.518 -1.903
52 2HB ASN 29 1HB ASN 29 13.885 3.933 -0.227
53 1HD2 ASN 29 1HD2 ASN 29 15.431 3.811 -3.123
54 2HD2 ASN 29 2HD2 ASN 29 17.011 3.514 -2.600
55 H LEU 30 H LEU 30 12.397 2.980 1.281
56 HA LEU 30 HA LEU 30 14.015 2.898 3.489
57 1HB LEU 30 2HB LEU 30 11.011 2.392 3.395
58 2HB LEU 30 1HB LEU 30 11.872 2.782 4.866
59 HG LEU 30 HG LEU 30 11.807 4.564 2.361
60 1HD1 LEU 30 1HD1 LEU 30 10.311 4.812 5.007
61 2HD1 LEU 30 2HD1 LEU 30 9.614 4.366 3.467
62 3HD1 LEU 30 3HD1 LEU 30 10.267 5.976 3.695
63 1HD2 LEU 30 1HD2 LEU 30 13.847 4.930 3.797
64 2HD2 LEU 30 2HD2 LEU 30 12.808 5.097 5.201
65 3HD2 LEU 30 3HD2 LEU 30 12.749 6.280 3.912
66 H ILE 31 H ILE 31 11.868 0.222 2.687
67 HA ILE 31 HA ILE 31 13.164 -1.434 4.787
68 HB ILE 31 HB ILE 31 10.807 -2.011 2.857
69 1HG1 ILE 31 2HG1 ILE 31 9.363 -2.035 4.932
70 2HG1 ILE 31 1HG1 ILE 31 10.730 -1.482 5.871
71 1HG2 ILE 31 1HG2 ILE 31 10.346 -4.039 4.224
72 2HG2 ILE 31 2HG2 ILE 31 11.800 -3.743 5.167
73 3HG2 ILE 31 3HG2 ILE 31 11.917 -4.152 3.465
74 1HD1 ILE 31 1HD1 ILE 31 9.414 0.035 3.586
75 2HD1 ILE 31 2HD1 ILE 31 10.758 0.626 4.559
76 3HD1 ILE 31 3HD1 ILE 31 9.202 0.361 5.293
77 H GLU 32 H GLU 32 13.436 -0.717 1.562
78 HA GLU 32 HA GLU 32 14.969 -3.231 0.965
79 1HB GLU 32 2HB GLU 32 13.820 -1.103 -0.919
80 2HB GLU 32 1HB GLU 32 14.573 -2.606 -1.413
81 1HG GLU 32 2HG GLU 32 12.781 -3.929 -0.380
82 2HG GLU 32 1HG GLU 32 12.092 -2.524 0.404
83 H ARG 33 H ARG 33 15.687 -0.972 2.567
84 HA ARG 33 HA ARG 33 17.969 0.261 1.117
85 1HB ARG 33 2HB ARG 33 16.412 1.774 2.406
86 2HB ARG 33 1HB ARG 33 16.725 0.891 3.870
87 1HG ARG 33 2HG ARG 33 18.045 2.905 3.922
88 2HG ARG 33 1HG ARG 33 19.166 1.592 3.681
89 1HD ARG 33 2HD ARG 33 18.022 2.932 1.247
90 2HD ARG 33 1HD ARG 33 19.195 3.852 2.152
91 HE ARG 33 HE ARG 33 20.776 1.892 1.883
92 1HH1 ARG 33 1HH2 ARG 33 18.179 2.346 -0.426
93 2HH1 ARG 33 2HH2 ARG 33 19.018 1.541 -1.670
94 1HH2 ARG 33 2HH1 ARG 33 21.840 0.869 0.309
95 2HH2 ARG 33 1HH1 ARG 33 21.188 0.684 -1.259
96 H GLN 34 H GLN 34 17.141 -1.087 4.177
97 HA GLN 34 HA GLN 34 19.408 -1.758 5.476
98 1HB GLN 34 2HB GLN 34 16.978 -3.543 4.950
99 2HB GLN 34 1HB GLN 34 18.218 -3.988 6.105
100 1HG GLN 34 2HG GLN 34 17.842 -1.863 7.365
101 2HG GLN 34 1HG GLN 34 16.594 -1.393 6.221
102 1HE2 GLN 34 1HE2 GLN 34 14.704 -1.590 7.538
103 2HE2 GLN 34 2HE2 GLN 34 14.279 -3.040 8.308
104 H ARG 35 H ARG 35 18.157 -3.868 3.003
105 HA ARG 35 HA ARG 35 19.985 -5.839 2.704
106 1HB ARG 35 2HB ARG 35 18.505 -4.190 0.633
107 2HB ARG 35 1HB ARG 35 19.557 -5.469 0.086
108 1HG ARG 35 2HG ARG 35 17.370 -5.953 2.165
109 2HG ARG 35 1HG ARG 35 17.081 -6.086 0.447
110 1HD ARG 35 2HD ARG 35 18.099 -8.124 0.334
111 2HD ARG 35 1HD ARG 35 19.539 -7.534 1.104
112 HE ARG 35 HE ARG 35 18.544 -7.893 3.294
113 1HH1 ARG 35 1HH2 ARG 35 16.968 -9.457 0.615
114 2HH1 ARG 35 2HH2 ARG 35 16.292 -10.694 1.573
115 1HH2 ARG 35 2HH1 ARG 35 17.662 -9.453 4.566
116 2HH2 ARG 35 1HH1 ARG 35 16.689 -10.696 3.908
117 H TYR 36 H TYR 36 20.423 -2.719 1.510
118 HA TYR 36 HA TYR 36 23.324 -3.150 1.166
119 1HB TYR 36 2HB TYR 36 21.547 -2.787 -0.951
120 2HB TYR 36 1HB TYR 36 21.980 -1.132 -0.619
121 HD1 TYR 36 HD1 TYR 36 24.809 -1.004 -0.116
122 HD2 TYR 36 HD2 TYR 36 22.724 -3.673 -2.709
123 HE1 TYR 36 HE1 TYR 36 26.847 -1.329 -1.456
124 HE2 TYR 36 HE2 TYR 36 24.752 -3.980 -4.029
125 HH TYR 36 HH TYR 36 27.161 -3.748 -3.856
126 1HT TYR 36 1HT TYR 36 22.501 -2.376 3.530
127 2HT TYR 36 2HT TYR 36 22.625 -0.702 3.794
Start of MODEL 20
1 1H ACE 24 1HA ACE 24 3.087 -1.999 -2.251
2 2H ACE 24 2HA ACE 24 1.638 -1.983 -1.249
3 3H ACE 24 3HA ACE 24 3.235 -2.029 -0.496
4 H ALA 24 H ALA 24 3.749 -0.088 0.362
5 HA ALA 24 HA ALA 24 2.513 2.376 -0.717
6 1HB ALA 24 1HB ALA 24 2.537 2.009 1.762
7 2HB ALA 24 2HB ALA 24 3.466 3.430 1.343
8 3HB ALA 24 3HB ALA 24 4.293 1.931 1.728
9 H ARG 25 H ARG 25 3.777 1.934 -2.665
10 HA ARG 25 HA ARG 25 6.263 1.859 -3.455
11 1HB ARG 25 2HB ARG 25 5.864 3.825 -5.065
12 2HB ARG 25 1HB ARG 25 4.718 2.506 -5.086
13 1HG ARG 25 2HG ARG 25 3.159 3.828 -3.647
14 2HG ARG 25 1HG ARG 25 4.302 5.157 -3.622
15 1HD ARG 25 2HD ARG 25 4.104 5.469 -6.052
16 2HD ARG 25 1HD ARG 25 3.124 4.029 -6.186
17 HE ARG 25 HE ARG 25 1.365 5.062 -4.917
18 1HH1 ARG 25 1HH2 ARG 25 3.860 7.257 -5.939
19 2HH1 ARG 25 2HH2 ARG 25 2.878 8.644 -5.835
20 1HH2 ARG 25 2HH1 ARG 25 0.051 6.840 -4.754
21 2HH2 ARG 25 1HH1 ARG 25 0.642 8.400 -5.119
22 H HIS 26 H HIS 26 5.453 5.126 -2.091
23 HA HIS 26 HA HIS 26 8.185 6.002 -2.403
24 1HB HIS 26 2HB HIS 26 5.856 7.057 -0.743
25 2HB HIS 26 1HB HIS 26 7.444 7.817 -0.681
26 HD1 HIS 26 HD1 HIS 26 8.425 8.457 -3.110
27 HD2 HIS 26 HD2 HIS 26 4.335 7.797 -2.847
28 HE1 HIS 26 HE1 HIS 26 7.313 9.450 -5.126
29 H TYR 27 H TYR 27 7.001 3.856 -0.333
30 HA TYR 27 HA TYR 27 9.174 4.112 1.687
31 1HB TYR 27 2HB TYR 27 6.269 3.406 1.887
32 2HB TYR 27 1HB TYR 27 7.327 2.361 2.803
33 HD1 TYR 27 HD1 TYR 27 7.022 6.044 2.096
34 HD2 TYR 27 HD2 TYR 27 7.656 3.020 5.021
35 HE1 TYR 27 HE1 TYR 27 7.155 7.760 3.847
36 HE2 TYR 27 HE2 TYR 27 7.794 4.736 6.765
37 HH TYR 27 HH TYR 27 7.126 7.045 7.177
38 H LYS 28 H LYS 28 8.782 2.818 -1.019
39 HA LYS 28 HA LYS 28 9.149 -0.055 -0.474
40 1HB LYS 28 2HB LYS 28 7.900 0.639 -2.461
41 2HB LYS 28 1HB LYS 28 9.241 1.606 -3.033
42 1HG LYS 28 2HG LYS 28 9.847 -1.284 -2.504
43 2HG LYS 28 1HG LYS 28 8.812 -0.938 -3.877
44 1HD LYS 28 2HD LYS 28 10.379 0.404 -4.926
45 2HD LYS 28 1HD LYS 28 11.349 0.692 -3.512
46 1HE LYS 28 2HE LYS 28 11.056 -1.981 -4.897
47 2HE LYS 28 1HE LYS 28 12.466 -0.932 -4.992
48 HZ LYS 28 HZ LYS 28 11.491 -2.316 -2.522
49 H ASN 29 H ASN 29 11.104 2.476 -1.941
50 HA ASN 29 HA ASN 29 13.576 1.181 -2.162
51 1HB ASN 29 2HB ASN 29 13.276 3.577 -2.851
52 2HB ASN 29 1HB ASN 29 13.196 4.064 -1.167
53 1HD2 ASN 29 1HD2 ASN 29 15.380 3.017 -3.703
54 2HD2 ASN 29 2HD2 ASN 29 16.804 3.269 -2.815
55 H LEU 30 H LEU 30 12.492 2.946 0.582
56 HA LEU 30 HA LEU 30 14.306 2.827 2.546
57 1HB LEU 30 2HB LEU 30 11.324 2.334 2.722
58 2HB LEU 30 1HB LEU 30 12.304 2.500 4.151
59 HG LEU 30 HG LEU 30 11.180 4.619 3.487
60 1HD1 LEU 30 1HD1 LEU 30 13.260 4.710 4.804
61 2HD1 LEU 30 2HD1 LEU 30 13.170 6.079 3.717
62 3HD1 LEU 30 3HD1 LEU 30 14.228 4.738 3.337
63 1HD2 LEU 30 1HD2 LEU 30 11.966 5.939 1.564
64 2HD2 LEU 30 2HD2 LEU 30 11.264 4.451 0.994
65 3HD2 LEU 30 3HD2 LEU 30 13.023 4.653 1.053
66 H ILE 31 H ILE 31 11.925 0.281 2.420
67 HA ILE 31 HA ILE 31 13.213 -1.464 4.299
68 HB ILE 31 HB ILE 31 11.249 -2.124 2.019
69 1HG1 ILE 31 2HG1 ILE 31 10.291 -0.227 3.303
70 2HG1 ILE 31 1HG1 ILE 31 9.378 -1.664 3.635
71 1HG2 ILE 31 1HG2 ILE 31 10.401 -3.930 3.509
72 2HG2 ILE 31 2HG2 ILE 31 11.634 -3.530 4.700
73 3HG2 ILE 31 3HG2 ILE 31 12.102 -4.160 3.137
74 1HD1 ILE 31 1HD1 ILE 31 11.545 -0.505 5.465
75 2HD1 ILE 31 2HD1 ILE 31 10.599 -1.947 5.809
76 3HD1 ILE 31 3HD1 ILE 31 9.813 -0.384 5.706
77 H GLU 32 H GLU 32 14.025 -0.728 1.196
78 HA GLU 32 HA GLU 32 15.550 -3.274 0.768
79 1HB GLU 32 2HB GLU 32 15.363 -0.917 -1.161
80 2HB GLU 32 1HB GLU 32 15.833 -2.544 -1.533
81 1HG GLU 32 2HG GLU 32 13.570 -3.352 -1.435
82 2HG GLU 32 1HG GLU 32 12.981 -1.936 -0.591
83 H ARG 33 H ARG 33 16.079 -0.823 2.604
84 HA ARG 33 HA ARG 33 18.777 -0.108 1.554
85 1HB ARG 33 2HB ARG 33 16.986 1.613 2.425
86 2HB ARG 33 1HB ARG 33 17.474 1.093 4.026
87 1HG ARG 33 2HG ARG 33 19.821 1.773 3.586
88 2HG ARG 33 1HG ARG 33 19.429 2.207 1.937
89 1HD ARG 33 2HD ARG 33 17.584 3.814 3.238
90 2HD ARG 33 1HD ARG 33 18.731 3.602 4.523
91 HE ARG 33 HE ARG 33 20.274 4.973 3.402
92 1HH1 ARG 33 1HH2 ARG 33 17.801 3.811 1.346
93 2HH1 ARG 33 2HH2 ARG 33 18.085 4.846 0.026
94 1HH2 ARG 33 2HH1 ARG 33 20.837 6.415 1.717
95 2HH2 ARG 33 1HH1 ARG 33 19.959 6.375 0.248
96 H GLN 34 H GLN 34 17.261 -1.415 4.376
97 HA GLN 34 HA GLN 34 19.546 -1.776 6.026
98 1HB GLN 34 2HB GLN 34 17.015 -3.477 5.714
99 2HB GLN 34 1HB GLN 34 18.212 -3.819 6.950
100 1HG GLN 34 2HG GLN 34 17.941 -1.545 7.902
101 2HG GLN 34 1HG GLN 34 16.777 -1.132 6.654
102 1HE2 GLN 34 1HE2 GLN 34 14.779 -1.069 7.792
103 2HE2 GLN 34 2HE2 GLN 34 14.234 -2.337 8.773
104 H ARG 35 H ARG 35 18.294 -4.030 3.620
105 HA ARG 35 HA ARG 35 20.712 -5.686 3.769
106 1HB ARG 35 2HB ARG 35 17.974 -5.977 2.443
107 2HB ARG 35 1HB ARG 35 19.308 -6.947 1.887
108 1HG ARG 35 2HG ARG 35 18.040 -8.233 3.489
109 2HG ARG 35 1HG ARG 35 19.632 -7.913 4.131
110 1HD ARG 35 2HD ARG 35 18.702 -6.135 5.607
111 2HD ARG 35 1HD ARG 35 17.101 -6.402 4.935
112 HE ARG 35 HE ARG 35 17.179 -8.727 5.741
113 1HH1 ARG 35 1HH2 ARG 35 19.402 -6.508 7.216
114 2HH1 ARG 35 2HH2 ARG 35 19.595 -7.436 8.643
115 1HH2 ARG 35 2HH1 ARG 35 17.398 -9.958 7.550
116 2HH2 ARG 35 1HH1 ARG 35 18.415 -9.453 8.824
117 H TYR 36 H TYR 36 21.406 -3.308 3.002
118 HA TYR 36 HA TYR 36 21.341 -2.953 0.093
119 1HB TYR 36 2HB TYR 36 22.825 -1.017 0.428
120 2HB TYR 36 1HB TYR 36 21.587 -0.925 1.659
121 HD1 TYR 36 HD1 TYR 36 22.248 -1.990 4.048
122 HD2 TYR 36 HD2 TYR 36 25.070 -1.012 1.002
123 HE1 TYR 36 HE1 TYR 36 24.053 -2.011 5.696
124 HE2 TYR 36 HE2 TYR 36 26.853 -1.025 2.657
125 HH TYR 36 HH TYR 36 27.023 -0.663 5.171
126 1HT TYR 36 1HT TYR 36 23.771 -4.072 2.420
127 2HT TYR 36 2HT TYR 36 24.856 -4.683 1.247