Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1346 | 1aj1 RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1HN DAL 1 1HN LAN 1 -5.244 -0.895 3.900
2 2HN DAL 1 2HN LAN 1 -6.479 -1.812 3.346
3 HA DAL 1 HA LAN 1 -5.523 -1.944 1.155
4 1HB DAL 1 1HB LAN 1 -3.332 -0.155 2.390
5 2HB DAL 1 2HB LAN 1 -3.493 -0.528 0.674
6 H SER 2 H SER 2 -5.187 0.189 -0.282
7 HA SER 2 HA SER 2 -7.695 1.871 0.245
8 1HB SER 2 1HB SER 2 -5.722 3.133 -0.625
9 2HB SER 2 2HB SER 2 -5.660 2.092 -2.054
10 HG SER 2 HG SER 2 -6.826 4.000 -2.386
11 H GLY 3 H GLY 3 -8.437 -0.384 0.343
12 1HA GLY 3 1HA GLY 3 -10.236 -1.839 -0.743
13 2HA GLY 3 2HA GLY 3 -9.446 -1.611 -2.295
14 H TRP 4 H TRP 4 -7.895 -3.370 -2.781
15 HA TRP 4 HA TRP 4 -5.855 -3.748 -0.715
16 1HB TRP 4 1HB TRP 4 -6.961 -6.234 -1.955
17 2HB TRP 4 2HB TRP 4 -5.486 -6.209 -1.045
18 HD1 TRP 4 HD1 TRP 4 -9.188 -6.770 -0.554
19 HE1 TRP 4 HE1 TRP 4 -9.885 -6.971 1.975
20 HE3 TRP 4 HE3 TRP 4 -4.786 -5.078 1.369
21 HZ2 TRP 4 HZ2 TRP 4 -8.513 -6.366 4.447
22 HZ3 TRP 4 HZ3 TRP 4 -4.538 -4.875 3.820
23 HH2 TRP 4 HH2 TRP 4 -6.376 -5.509 5.332
24 H VAL 5 H VAL 5 -5.356 -2.269 -2.300
25 HA VAL 5 HA VAL 5 -3.756 -3.301 -4.682
26 HB VAL 5 HB VAL 5 -3.648 -0.422 -3.628
27 1HG1 VAL 5 2HG2 VAL 5 -1.503 -1.101 -4.736
28 2HG1 VAL 5 3HG2 VAL 5 -2.400 -1.652 -6.168
29 3HG1 VAL 5 1HG2 VAL 5 -2.398 0.071 -5.712
30 1HG2 VAL 5 3HG1 VAL 5 -5.065 -1.548 -6.124
31 2HG2 VAL 5 1HG1 VAL 5 -5.865 -0.896 -4.673
32 3HG2 VAL 5 2HG1 VAL 5 -4.891 0.173 -5.693
33 H CYS 6 HN LAS 6 -2.510 -1.431 -2.035
34 HA CYS 6 HA LAS 6 -1.296 -1.961 -0.169
35 1HB CYS 6 1HB LAS 6 -3.815 -3.014 -0.179
36 2HB CYS 6 2HB LAS 6 -2.841 -4.334 0.431
37 1HN ABA 7 HN MLA 7 0.203 -2.704 0.503
38 HA ABA 7 HA MLA 7 0.809 -5.349 1.205
39 1HB ABA 7 HB MLA 7 2.444 -4.014 2.759
40 1HG ABA 7 1HG2 MLA 7 0.014 -4.421 3.338
41 2HG ABA 7 2HG2 MLA 7 -0.422 -2.918 2.534
42 3HG ABA 7 3HG2 MLA 7 0.614 -2.867 3.973
43 H LEU 8 H LEU 8 1.981 -4.675 -1.620
44 HA LEU 8 HA LEU 8 4.837 -5.734 -1.095
45 1HB LEU 8 1HB LEU 8 3.104 -6.542 -3.496
46 2HB LEU 8 2HB LEU 8 4.784 -6.963 -3.257
47 HG LEU 8 HG LEU 8 2.503 -7.888 -1.407
48 1HD1 LEU 8 2HD1 LEU 8 2.287 -8.868 -3.693
49 2HD1 LEU 8 3HD1 LEU 8 3.969 -9.451 -3.629
50 3HD1 LEU 8 1HD1 LEU 8 2.746 -10.110 -2.513
51 1HD2 LEU 8 2HD2 LEU 8 5.463 -8.793 -1.485
52 2HD2 LEU 8 3HD2 LEU 8 4.684 -7.866 -0.179
53 3HD2 LEU 8 1HD2 LEU 8 4.177 -9.532 -0.496
54 1HN ABA 9 HN MLA 9 4.768 -3.330 -0.857
55 HA ABA 9 HA MLA 9 6.415 -2.367 -3.130
56 1HB ABA 9 HB MLA 9 6.851 -0.393 -1.497
57 1HG ABA 9 1HG2 MLA 9 8.397 -2.373 -1.637
58 2HG ABA 9 2HG2 MLA 9 8.262 -1.735 0.024
59 3HG ABA 9 3HG2 MLA 9 7.408 -3.228 -0.427
60 H ILE 10 H ILE 10 3.064 -1.811 -2.602
61 HA ILE 10 HA ILE 10 3.096 0.839 -4.073
62 HB ILE 10 HB ILE 10 1.587 -1.563 -5.225
63 1HG1 ILE 10 1HG1 ILE 10 3.969 -1.837 -5.821
64 2HG1 ILE 10 2HG1 ILE 10 2.925 -1.614 -7.195
65 1HG2 ILE 10 2HG2 ILE 10 0.304 0.517 -5.570
66 2HG2 ILE 10 3HG2 ILE 10 1.717 1.331 -6.272
67 3HG2 ILE 10 1HG2 ILE 10 0.948 -0.037 -7.123
68 1HD1 ILE 10 2HD1 ILE 10 4.736 0.621 -6.060
69 2HD1 ILE 10 3HD1 ILE 10 5.100 -0.404 -7.465
70 3HD1 ILE 10 1HD1 ILE 10 3.737 0.733 -7.527
71 H GLU 11 H GLU 11 2.015 1.832 -2.545
72 HA GLU 11 HA GLU 11 0.206 2.698 -1.314
73 1HB GLU 11 1HB GLU 11 -0.923 2.930 -3.422
74 2HB GLU 11 2HB GLU 11 -1.228 1.219 -3.504
75 1HG GLU 11 1HG GLU 11 -3.229 2.631 -3.181
76 2HG GLU 11 2HG GLU 11 -3.088 1.457 -1.901
77 HE1 GLU 11 HE2 GLU 11 -2.777 5.441 -1.201
78 H CYS 12 HN LAS 12 1.375 1.132 0.224
79 HA CYS 12 HA LAS 12 -0.377 -0.918 1.590
80 1HB CYS 12 2HB LAS 12 2.362 0.264 2.302
81 2HB CYS 12 1HB LAS 12 1.514 -0.793 3.430
82 H GLY 13 H GLY 13 0.387 2.496 1.914
83 1HA GLY 13 1HA GLY 13 -1.708 2.826 4.091
84 2HA GLY 13 2HA GLY 13 -0.059 3.087 4.631
85 1HN ABA 14 HN MLA 14 0.875 4.563 2.291
86 HA ABA 14 HA MLA 14 -0.142 7.160 3.361
87 1HB ABA 14 HB MLA 14 -0.492 8.397 1.500
88 1HG ABA 14 1HG2 MLA 14 -2.427 6.850 1.658
89 2HG ABA 14 2HG2 MLA 14 -2.124 7.358 -0.029
90 3HG ABA 14 3HG2 MLA 14 -1.641 5.735 0.514
91 H VAL 15 H VAL 15 2.213 5.480 3.801
92 HA VAL 15 HA VAL 15 4.458 7.352 3.004
93 HB VAL 15 HB VAL 15 3.260 8.041 5.133
94 1HG1 VAL 15 1HG2 VAL 15 2.952 5.814 6.255
95 2HG1 VAL 15 2HG2 VAL 15 4.708 5.723 6.540
96 3HG1 VAL 15 3HG2 VAL 15 3.744 7.012 7.300
97 1HG2 VAL 15 3HG1 VAL 15 5.522 8.918 4.547
98 2HG2 VAL 15 2HG1 VAL 15 5.311 8.779 6.304
99 3HG2 VAL 15 1HG1 VAL 15 6.290 7.575 5.430
100 H ILE 16 H ILE 16 3.753 4.099 4.103
101 HA ILE 16 HA ILE 16 6.627 3.413 4.535
102 HB ILE 16 HB ILE 16 4.061 1.778 4.762
103 1HG1 ILE 16 1HG1 ILE 16 4.295 3.347 6.566
104 2HG1 ILE 16 2HG1 ILE 16 4.457 1.712 7.143
105 1HG2 ILE 16 2HG2 ILE 16 6.861 0.633 5.288
106 2HG2 ILE 16 3HG2 ILE 16 5.316 -0.121 5.766
107 3HG2 ILE 16 1HG2 ILE 16 5.695 0.094 4.057
108 1HD1 ILE 16 2HD1 ILE 16 6.993 2.026 7.318
109 2HD1 ILE 16 3HD1 ILE 16 6.786 3.719 6.791
110 3HD1 ILE 16 1HD1 ILE 16 6.063 3.167 8.315
111 H CYS 17 HN LAS 17 4.293 1.986 2.191
112 HA CYS 17 HA LAS 17 6.568 1.191 0.302
113 1HB CYS 17 2HB LAS 17 3.696 0.336 0.740
114 2HB CYS 17 1HB LAS 17 4.163 0.404 -0.906
115 H ALA 18 H ALA 18 5.404 1.577 -2.053
116 HA ALA 18 HA ALA 18 5.198 4.642 -2.500
117 1HB ALA 18 1HB ALA 18 6.580 3.299 -4.145
118 2HB ALA 18 2HB ALA 18 5.115 2.395 -4.613
119 3HB ALA 18 3HB ALA 18 5.216 4.144 -4.903
120 1HN CSX 19 HN LAS 19 3.441 3.939 -0.896
121 HA CSX 19 HA LAS 19 2.474 6.084 -2.545
122 1HB CSX 19 1HB LAS 19 0.119 5.381 -1.399
123 2HB CSX 19 2HB LAS 19 1.004 5.087 0.079
124 HXT CSX 19 HO LAS 19 4.733 7.878 -0.880
No H/Q in entry = 124
Start of MODEL 2
1 1HN DAL 1 1HN LAN 1 -4.663 -2.638 3.765
2 2HN DAL 1 2HN LAN 1 -6.219 -2.142 3.701
3 HA DAL 1 HA LAN 1 -5.308 -2.290 1.521
4 1HB DAL 1 1HB LAN 1 -3.213 -0.299 2.618
5 2HB DAL 1 2HB LAN 1 -3.402 -0.723 0.915
6 H SER 2 H SER 2 -5.139 -0.258 -0.059
7 HA SER 2 HA SER 2 -7.729 1.332 0.394
8 1HB SER 2 1HB SER 2 -5.686 1.536 -1.899
9 2HB SER 2 2HB SER 2 -7.213 2.417 -1.802
10 HG SER 2 HG SER 2 -5.109 2.521 0.098
11 H GLY 3 H GLY 3 -8.356 -0.953 0.593
12 1HA GLY 3 1HA GLY 3 -10.037 -2.584 -0.410
13 2HA GLY 3 2HA GLY 3 -9.305 -2.343 -1.987
14 H TRP 4 H TRP 4 -7.620 -3.974 -2.466
15 HA TRP 4 HA TRP 4 -5.529 -4.193 -0.425
16 1HB TRP 4 1HB TRP 4 -6.530 -6.761 -1.586
17 2HB TRP 4 2HB TRP 4 -5.042 -6.640 -0.701
18 HD1 TRP 4 HD1 TRP 4 -8.678 -7.431 -0.142
19 HE1 TRP 4 HE1 TRP 4 -9.345 -7.588 2.398
20 HE3 TRP 4 HE3 TRP 4 -4.405 -5.344 1.680
21 HZ2 TRP 4 HZ2 TRP 4 -8.011 -6.784 4.834
22 HZ3 TRP 4 HZ3 TRP 4 -4.165 -5.020 4.119
23 HH2 TRP 4 HH2 TRP 4 -5.942 -5.730 5.669
24 H VAL 5 H VAL 5 -5.138 -2.727 -2.074
25 HA VAL 5 HA VAL 5 -3.484 -3.772 -4.413
26 HB VAL 5 HB VAL 5 -3.570 -0.846 -3.548
27 1HG1 VAL 5 2HG1 VAL 5 -2.268 -2.175 -6.018
28 2HG1 VAL 5 3HG1 VAL 5 -2.376 -0.425 -5.706
29 3HG1 VAL 5 1HG1 VAL 5 -1.395 -1.449 -4.649
30 1HG2 VAL 5 1HG2 VAL 5 -4.941 -2.206 -5.949
31 2HG2 VAL 5 2HG2 VAL 5 -5.761 -1.510 -4.531
32 3HG2 VAL 5 3HG2 VAL 5 -4.865 -0.453 -5.632
33 H CYS 6 HN LAS 6 -2.367 -1.655 -1.865
34 HA CYS 6 HA LAS 6 -1.094 -2.033 0.017
35 1HB CYS 6 1HB LAS 6 -3.596 -3.171 0.090
36 2HB CYS 6 2HB LAS 6 -2.583 -4.462 0.710
37 1HN ABA 7 HN MLA 7 0.397 -2.766 0.812
38 HA ABA 7 HA MLA 7 1.120 -5.441 1.425
39 1HB ABA 7 HB MLA 7 2.703 -4.113 3.029
40 1HG ABA 7 1HG2 MLA 7 0.286 -4.639 3.601
41 2HG ABA 7 2HG2 MLA 7 -0.206 -3.111 2.876
42 3HG ABA 7 3HG2 MLA 7 0.841 -3.100 4.308
43 H LEU 8 H LEU 8 2.102 -4.768 -1.382
44 HA LEU 8 HA LEU 8 4.927 -5.915 -1.028
45 1HB LEU 8 1HB LEU 8 4.739 -7.154 -2.995
46 2HB LEU 8 2HB LEU 8 3.343 -7.550 -2.037
47 HG LEU 8 HG LEU 8 3.328 -5.713 -4.525
48 1HD1 LEU 8 3HD2 LEU 8 3.886 -8.080 -5.085
49 2HD1 LEU 8 1HD2 LEU 8 2.417 -8.647 -4.253
50 3HD1 LEU 8 2HD2 LEU 8 2.290 -7.636 -5.715
51 1HD2 LEU 8 1HD1 LEU 8 0.913 -6.794 -2.929
52 2HD2 LEU 8 2HD1 LEU 8 1.379 -5.086 -3.137
53 3HD2 LEU 8 3HD1 LEU 8 0.815 -6.013 -4.528
54 1HN ABA 9 HN MLA 9 4.554 -3.262 -0.759
55 HA ABA 9 HA MLA 9 6.442 -2.285 -2.900
56 1HB ABA 9 HB MLA 9 6.809 -0.371 -1.229
57 1HG ABA 9 1HG2 MLA 9 8.344 -2.379 -1.349
58 2HG ABA 9 2HG2 MLA 9 8.176 -1.755 0.316
59 3HG ABA 9 3HG2 MLA 9 7.313 -3.227 -0.174
60 H ILE 10 H ILE 10 3.025 -1.797 -2.355
61 HA ILE 10 HA ILE 10 3.068 0.883 -3.731
62 HB ILE 10 HB ILE 10 1.269 -1.302 -4.951
63 1HG1 ILE 10 1HG1 ILE 10 2.774 -1.036 -7.123
64 2HG1 ILE 10 2HG1 ILE 10 4.063 -0.605 -6.022
65 1HG2 ILE 10 3HG2 ILE 10 0.536 1.081 -5.205
66 2HG2 ILE 10 1HG2 ILE 10 2.076 1.487 -5.998
67 3HG2 ILE 10 2HG2 ILE 10 0.928 0.364 -6.772
68 1HD1 ILE 10 3HD1 ILE 10 2.422 -3.241 -6.036
69 2HD1 ILE 10 1HD1 ILE 10 4.087 -3.029 -6.626
70 3HD1 ILE 10 2HD1 ILE 10 3.739 -2.906 -4.892
71 H GLU 11 H GLU 11 2.073 1.887 -2.158
72 HA GLU 11 HA GLU 11 0.514 2.624 -0.660
73 1HB GLU 11 1HB GLU 11 -1.581 3.100 -1.484
74 2HB GLU 11 2HB GLU 11 -0.544 3.087 -2.900
75 1HG GLU 11 1HG GLU 11 -1.394 0.779 -3.496
76 2HG GLU 11 2HG GLU 11 -2.553 0.877 -2.171
77 HE1 GLU 11 HE2 GLU 11 -4.462 3.453 -3.667
78 H CYS 12 HN LAS 12 1.529 0.813 0.557
79 HA CYS 12 HA LAS 12 -0.324 -1.038 2.011
80 1HB CYS 12 2HB LAS 12 2.450 0.139 2.727
81 2HB CYS 12 1HB LAS 12 1.602 -0.967 3.808
82 H GLY 13 H GLY 13 0.533 2.344 2.196
83 1HA GLY 13 1HA GLY 13 -1.316 2.786 4.598
84 2HA GLY 13 2HA GLY 13 0.381 3.128 4.869
85 1HN ABA 14 HN MLA 14 0.972 4.489 2.394
86 HA ABA 14 HA MLA 14 -0.023 7.086 3.518
87 1HB ABA 14 HB MLA 14 -0.534 8.295 1.698
88 1HG ABA 14 1HG2 MLA 14 -2.391 6.652 1.903
89 2HG ABA 14 2HG2 MLA 14 -2.176 7.209 0.219
90 3HG ABA 14 3HG2 MLA 14 -1.604 5.596 0.702
91 H VAL 15 H VAL 15 2.407 5.402 3.766
92 HA VAL 15 HA VAL 15 4.560 7.400 3.001
93 HB VAL 15 HB VAL 15 4.104 6.555 5.923
94 1HG1 VAL 15 2HG1 VAL 15 6.261 8.453 4.779
95 2HG1 VAL 15 1HG1 VAL 15 5.953 8.157 6.510
96 3HG1 VAL 15 3HG1 VAL 15 6.547 6.846 5.487
97 1HG2 VAL 15 3HG2 VAL 15 3.733 9.359 4.674
98 2HG2 VAL 15 1HG2 VAL 15 2.445 8.323 5.332
99 3HG2 VAL 15 2HG2 VAL 15 3.671 8.987 6.416
100 H ILE 16 H ILE 16 3.920 4.223 4.415
101 HA ILE 16 HA ILE 16 6.767 3.485 4.631
102 HB ILE 16 HB ILE 16 4.180 1.904 5.014
103 1HG1 ILE 16 1HG1 ILE 16 4.562 3.550 6.752
104 2HG1 ILE 16 2HG1 ILE 16 4.654 1.927 7.380
105 1HG2 ILE 16 2HG2 ILE 16 6.959 0.684 5.466
106 2HG2 ILE 16 3HG2 ILE 16 5.412 0.005 6.040
107 3HG2 ILE 16 1HG2 ILE 16 5.719 0.145 4.310
108 1HD1 ILE 16 3HD1 ILE 16 7.205 2.104 7.462
109 2HD1 ILE 16 1HD1 ILE 16 7.078 3.784 6.872
110 3HD1 ILE 16 2HD1 ILE 16 6.379 3.336 8.441
111 H CYS 17 HN LAS 17 4.316 2.113 2.425
112 HA CYS 17 HA LAS 17 6.498 1.180 0.471
113 1HB CYS 17 2HB LAS 17 3.652 0.343 1.054
114 2HB CYS 17 1HB LAS 17 4.032 0.392 -0.621
115 H ALA 18 H ALA 18 5.267 1.532 -1.840
116 HA ALA 18 HA ALA 18 5.168 4.593 -2.333
117 1HB ALA 18 1HB ALA 18 6.526 3.167 -3.943
118 2HB ALA 18 2HB ALA 18 5.027 2.333 -4.435
119 3HB ALA 18 3HB ALA 18 5.218 4.073 -4.728
120 1HN CSX 19 HN LAS 19 3.341 3.892 -0.745
121 HA CSX 19 HA LAS 19 2.512 6.129 -2.326
122 1HB CSX 19 1HB LAS 19 0.070 5.421 -1.364
123 2HB CSX 19 2HB LAS 19 0.860 5.043 0.147
124 HXT CSX 19 HO LAS 19 4.117 6.033 1.427
No H/Q in entry = 124
Start of MODEL 3
1 1HN DAL 1 1HN LAN 1 -5.199 -0.629 3.840
2 2HN DAL 1 2HN LAN 1 -4.613 -2.143 3.645
3 HA DAL 1 HA LAN 1 -5.340 -2.245 1.377
4 1HB DAL 1 1HB LAN 1 -3.478 0.066 2.223
5 2HB DAL 1 2HB LAN 1 -3.678 -0.438 0.545
6 H SER 2 H SER 2 -5.459 -0.552 -0.479
7 HA SER 2 HA SER 2 -8.323 0.543 -0.209
8 1HB SER 2 1HB SER 2 -6.748 2.136 -1.346
9 2HB SER 2 2HB SER 2 -6.376 0.912 -2.570
10 HG SER 2 HG SER 2 -8.017 2.336 -3.197
11 H GLY 3 H GLY 3 -8.426 -1.789 0.324
12 1HA GLY 3 1HA GLY 3 -9.529 -3.928 -0.323
13 2HA GLY 3 2HA GLY 3 -9.197 -3.630 -2.013
14 H TRP 4 H TRP 4 -7.175 -4.540 -2.821
15 HA TRP 4 HA TRP 4 -4.831 -4.650 -1.051
16 1HB TRP 4 1HB TRP 4 -5.768 -7.218 -2.244
17 2HB TRP 4 2HB TRP 4 -4.097 -6.979 -1.830
18 HD1 TRP 4 HD1 TRP 4 -7.492 -7.712 -0.109
19 HE1 TRP 4 HE1 TRP 4 -7.179 -8.228 2.454
20 HE3 TRP 4 HE3 TRP 4 -2.555 -6.473 0.104
21 HZ2 TRP 4 HZ2 TRP 4 -4.915 -8.008 4.241
22 HZ3 TRP 4 HZ3 TRP 4 -1.367 -6.613 2.267
23 HH2 TRP 4 HH2 TRP 4 -2.532 -7.370 4.302
24 H VAL 5 H VAL 5 -4.851 -3.001 -2.481
25 HA VAL 5 HA VAL 5 -3.069 -3.533 -4.907
26 HB VAL 5 HB VAL 5 -3.703 -0.738 -3.866
27 1HG1 VAL 5 2HG2 VAL 5 -1.417 -0.946 -4.940
28 2HG1 VAL 5 3HG2 VAL 5 -2.159 -1.655 -6.390
29 3HG1 VAL 5 1HG2 VAL 5 -2.518 0.028 -5.929
30 1HG2 VAL 5 3HG1 VAL 5 -4.768 -2.136 -6.399
31 2HG2 VAL 5 1HG1 VAL 5 -5.727 -1.666 -4.975
32 3HG2 VAL 5 2HG1 VAL 5 -4.982 -0.415 -5.980
33 H CYS 6 HN LAS 6 -2.402 -1.402 -2.180
34 HA CYS 6 HA LAS 6 -1.088 -1.815 -0.298
35 1HB CYS 6 1HB LAS 6 -3.682 -2.820 -0.225
36 2HB CYS 6 2HB LAS 6 -2.752 -4.117 0.465
37 1HN ABA 7 HN MLA 7 0.312 -2.651 0.588
38 HA ABA 7 HA MLA 7 0.827 -5.376 1.232
39 1HB ABA 7 HB MLA 7 2.506 -4.131 2.837
40 1HG ABA 7 1HG2 MLA 7 0.092 -4.543 3.439
41 2HG ABA 7 2HG2 MLA 7 -0.372 -3.032 2.667
42 3HG ABA 7 3HG2 MLA 7 0.684 -2.997 4.095
43 H LEU 8 H LEU 8 2.045 -4.518 -1.562
44 HA LEU 8 HA LEU 8 4.877 -5.624 -1.094
45 1HB LEU 8 1HB LEU 8 3.095 -6.501 -3.458
46 2HB LEU 8 2HB LEU 8 4.808 -6.774 -3.281
47 HG LEU 8 HG LEU 8 4.223 -8.033 -1.028
48 1HD1 LEU 8 3HD1 LEU 8 1.486 -8.240 -2.469
49 2HD1 LEU 8 1HD1 LEU 8 2.005 -9.245 -1.094
50 3HD1 LEU 8 2HD1 LEU 8 1.767 -7.511 -0.872
51 1HD2 LEU 8 3HD2 LEU 8 5.199 -9.122 -3.050
52 2HD2 LEU 8 1HD2 LEU 8 3.993 -10.176 -2.292
53 3HD2 LEU 8 2HD2 LEU 8 3.582 -9.283 -3.779
54 1HN ABA 9 HN MLA 9 4.686 -3.164 -0.876
55 HA ABA 9 HA MLA 9 6.336 -2.218 -3.165
56 1HB ABA 9 HB MLA 9 6.771 -0.238 -1.519
57 1HG ABA 9 1HG2 MLA 9 8.359 -2.172 -1.754
58 2HG ABA 9 2HG2 MLA 9 8.256 -1.586 -0.073
59 3HG ABA 9 3HG2 MLA 9 7.425 -3.086 -0.543
60 H ILE 10 H ILE 10 2.973 -1.596 -2.568
61 HA ILE 10 HA ILE 10 3.076 1.131 -3.792
62 HB ILE 10 HB ILE 10 1.300 -0.964 -5.202
63 1HG1 ILE 10 1HG1 ILE 10 2.720 -0.434 -7.357
64 2HG1 ILE 10 2HG1 ILE 10 4.016 0.023 -6.276
65 1HG2 ILE 10 3HG2 ILE 10 0.460 1.410 -5.224
66 2HG2 ILE 10 1HG2 ILE 10 1.974 1.952 -5.977
67 3HG2 ILE 10 2HG2 ILE 10 0.865 0.865 -6.852
68 1HD1 ILE 10 3HD1 ILE 10 2.600 -2.741 -6.368
69 2HD1 ILE 10 1HD1 ILE 10 4.151 -2.341 -7.144
70 3HD1 ILE 10 2HD1 ILE 10 4.030 -2.357 -5.379
71 H GLU 11 H GLU 11 2.026 2.085 -2.248
72 HA GLU 11 HA GLU 11 0.469 2.761 -0.730
73 1HB GLU 11 1HB GLU 11 -1.678 3.159 -1.500
74 2HB GLU 11 2HB GLU 11 -0.659 3.273 -2.924
75 1HG GLU 11 1HG GLU 11 -1.377 1.078 -3.742
76 2HG GLU 11 2HG GLU 11 -2.381 0.795 -2.328
77 HE1 GLU 11 HE2 GLU 11 -4.907 3.010 -3.235
78 H CYS 12 HN LAS 12 1.518 0.900 0.413
79 HA CYS 12 HA LAS 12 -0.329 -0.956 1.864
80 1HB CYS 12 2HB LAS 12 2.489 0.125 2.528
81 2HB CYS 12 1HB LAS 12 1.629 -0.952 3.631
82 H GLY 13 H GLY 13 0.619 2.397 2.144
83 1HA GLY 13 1HA GLY 13 -1.126 2.782 4.647
84 2HA GLY 13 2HA GLY 13 0.583 3.128 4.812
85 1HN ABA 14 HN MLA 14 1.111 4.571 2.469
86 HA ABA 14 HA MLA 14 0.085 7.117 3.624
87 1HB ABA 14 HB MLA 14 -0.473 8.361 1.833
88 1HG ABA 14 1HG2 MLA 14 -2.309 6.694 2.042
89 2HG ABA 14 2HG2 MLA 14 -2.132 7.282 0.363
90 3HG ABA 14 3HG2 MLA 14 -1.534 5.668 0.811
91 H VAL 15 H VAL 15 2.464 5.531 3.943
92 HA VAL 15 HA VAL 15 4.665 7.327 2.912
93 HB VAL 15 HB VAL 15 3.594 8.171 5.063
94 1HG1 VAL 15 1HG2 VAL 15 3.345 6.030 6.348
95 2HG1 VAL 15 2HG2 VAL 15 5.114 5.943 6.534
96 3HG1 VAL 15 3HG2 VAL 15 4.204 7.287 7.261
97 1HG2 VAL 15 3HG1 VAL 15 5.819 8.991 4.283
98 2HG2 VAL 15 2HG1 VAL 15 5.717 8.971 6.054
99 3HG2 VAL 15 1HG1 VAL 15 6.635 7.703 5.204
100 H ILE 16 H ILE 16 3.949 4.165 4.229
101 HA ILE 16 HA ILE 16 6.802 3.373 4.586
102 HB ILE 16 HB ILE 16 4.162 1.864 4.882
103 1HG1 ILE 16 1HG1 ILE 16 6.340 2.460 6.975
104 2HG1 ILE 16 2HG1 ILE 16 5.024 3.563 6.639
105 1HG2 ILE 16 1HG2 ILE 16 5.725 0.109 4.042
106 2HG2 ILE 16 2HG2 ILE 16 6.933 0.554 5.269
107 3HG2 ILE 16 3HG2 ILE 16 5.368 -0.155 5.741
108 1HD1 ILE 16 3HD1 ILE 16 3.318 1.816 7.283
109 2HD1 ILE 16 1HD1 ILE 16 4.647 0.716 7.739
110 3HD1 ILE 16 2HD1 ILE 16 4.429 2.253 8.601
111 H CYS 17 HN LAS 17 4.362 2.037 2.305
112 HA CYS 17 HA LAS 17 6.544 1.269 0.299
113 1HB CYS 17 2HB LAS 17 3.708 0.380 0.879
114 2HB CYS 17 1HB LAS 17 4.082 0.484 -0.796
115 H ALA 18 H ALA 18 5.281 1.683 -1.987
116 HA ALA 18 HA ALA 18 5.161 4.755 -2.382
117 1HB ALA 18 1HB ALA 18 6.498 3.381 -4.050
118 2HB ALA 18 2HB ALA 18 4.998 2.548 -4.540
119 3HB ALA 18 3HB ALA 18 5.175 4.296 -4.796
120 1HN CSX 19 HN LAS 19 3.348 3.996 -0.795
121 HA CSX 19 HA LAS 19 2.511 6.301 -2.287
122 1HB CSX 19 1HB LAS 19 0.083 5.563 -1.311
123 2HB CSX 19 2HB LAS 19 0.895 5.144 0.178
124 HXT CSX 19 HO LAS 19 4.175 6.072 1.432
No H/Q in entry = 124
Start of MODEL 4
1 1HN DAL 1 1HN LAN 1 -4.772 -2.675 3.548
2 2HN DAL 1 2HN LAN 1 -6.329 -2.185 3.462
3 HA DAL 1 HA LAN 1 -5.361 -2.240 1.306
4 1HB DAL 1 1HB LAN 1 -3.329 -0.245 2.496
5 2HB DAL 1 2HB LAN 1 -3.445 -0.682 0.791
6 H SER 2 H SER 2 -5.195 -0.167 -0.206
7 HA SER 2 HA SER 2 -7.840 1.313 0.242
8 1HB SER 2 1HB SER 2 -7.446 2.462 -1.868
9 2HB SER 2 2HB SER 2 -6.096 2.720 -0.766
10 HG SER 2 HG SER 2 -4.975 1.061 -1.892
11 H GLY 3 H GLY 3 -8.355 -0.999 0.541
12 1HA GLY 3 1HA GLY 3 -10.033 -2.708 -0.332
13 2HA GLY 3 2HA GLY 3 -9.411 -2.466 -1.956
14 H TRP 4 H TRP 4 -7.629 -3.939 -2.527
15 HA TRP 4 HA TRP 4 -5.479 -4.162 -0.584
16 1HB TRP 4 1HB TRP 4 -6.552 -6.737 -1.640
17 2HB TRP 4 2HB TRP 4 -4.929 -6.607 -1.028
18 HD1 TRP 4 HD1 TRP 4 -4.615 -5.909 1.681
19 HE1 TRP 4 HE1 TRP 4 -6.025 -6.500 3.822
20 HE3 TRP 4 HE3 TRP 4 -8.879 -7.199 -0.804
21 HZ2 TRP 4 HZ2 TRP 4 -8.746 -7.401 4.197
22 HZ3 TRP 4 HZ3 TRP 4 -10.868 -7.877 0.499
23 HH2 TRP 4 HH2 TRP 4 -10.799 -7.975 2.957
24 H VAL 5 H VAL 5 -5.114 -2.713 -2.116
25 HA VAL 5 HA VAL 5 -3.467 -3.647 -4.521
26 HB VAL 5 HB VAL 5 -3.567 -0.755 -3.503
27 1HG1 VAL 5 1HG1 VAL 5 -1.349 -1.321 -4.538
28 2HG1 VAL 5 2HG1 VAL 5 -2.170 -1.936 -5.990
29 3HG1 VAL 5 3HG1 VAL 5 -2.280 -0.211 -5.554
30 1HG2 VAL 5 1HG2 VAL 5 -4.835 -1.993 -6.025
31 2HG2 VAL 5 2HG2 VAL 5 -5.715 -1.370 -4.609
32 3HG2 VAL 5 3HG2 VAL 5 -4.775 -0.259 -5.616
33 H CYS 6 HN LAS 6 -2.389 -1.663 -1.875
34 HA CYS 6 HA LAS 6 -1.144 -2.089 -0.003
35 1HB CYS 6 1HB LAS 6 -3.634 -3.208 0.047
36 2HB CYS 6 2HB LAS 6 -2.628 -4.473 0.717
37 1HN ABA 7 HN MLA 7 0.363 -2.771 0.746
38 HA ABA 7 HA MLA 7 1.091 -5.404 1.450
39 1HB ABA 7 HB MLA 7 2.655 -4.023 3.004
40 1HG ABA 7 1HG2 MLA 7 0.246 -4.491 3.596
41 2HG ABA 7 2HG2 MLA 7 -0.240 -3.001 2.796
42 3HG ABA 7 3HG2 MLA 7 0.806 -2.921 4.227
43 H LEU 8 H LEU 8 2.085 -4.845 -1.383
44 HA LEU 8 HA LEU 8 4.932 -5.918 -0.968
45 1HB LEU 8 1HB LEU 8 4.806 -7.214 -2.906
46 2HB LEU 8 2HB LEU 8 3.467 -7.656 -1.888
47 HG LEU 8 HG LEU 8 3.241 -5.941 -4.452
48 1HD1 LEU 8 2HD1 LEU 8 3.977 -8.276 -4.933
49 2HD1 LEU 8 3HD1 LEU 8 2.585 -8.924 -4.030
50 3HD1 LEU 8 1HD1 LEU 8 2.332 -7.991 -5.527
51 1HD2 LEU 8 2HD2 LEU 8 0.977 -7.142 -2.727
52 2HD2 LEU 8 3HD2 LEU 8 1.286 -5.414 -3.034
53 3HD2 LEU 8 1HD2 LEU 8 0.762 -6.456 -4.357
54 1HN ABA 9 HN MLA 9 4.853 -3.445 -0.650
55 HA ABA 9 HA MLA 9 6.580 -2.440 -2.855
56 1HB ABA 9 HB MLA 9 6.969 -0.500 -1.205
57 1HG ABA 9 1HG2 MLA 9 8.479 -2.527 -1.275
58 2HG ABA 9 2HG2 MLA 9 8.303 -1.866 0.375
59 3HG ABA 9 3HG2 MLA 9 7.428 -3.340 -0.090
60 H ILE 10 H ILE 10 3.192 -1.976 -2.430
61 HA ILE 10 HA ILE 10 3.215 0.672 -3.914
62 HB ILE 10 HB ILE 10 1.764 -1.777 -5.044
63 1HG1 ILE 10 1HG1 ILE 10 4.155 -2.020 -5.602
64 2HG1 ILE 10 2HG1 ILE 10 3.135 -1.823 -7.000
65 1HG2 ILE 10 2HG2 ILE 10 0.446 0.272 -5.446
66 2HG2 ILE 10 3HG2 ILE 10 1.853 1.100 -6.144
67 3HG2 ILE 10 1HG2 ILE 10 1.123 -0.299 -6.978
68 1HD1 ILE 10 1HD1 ILE 10 4.895 0.443 -5.844
69 2HD1 ILE 10 2HD1 ILE 10 5.296 -0.583 -7.238
70 3HD1 ILE 10 3HD1 ILE 10 3.919 0.537 -7.328
71 H GLU 11 H GLU 11 2.106 1.670 -2.415
72 HA GLU 11 HA GLU 11 0.265 2.532 -1.223
73 1HB GLU 11 1HB GLU 11 -0.836 2.713 -3.341
74 2HB GLU 11 2HB GLU 11 -1.106 0.994 -3.409
75 1HG GLU 11 1HG GLU 11 -3.137 2.356 -3.146
76 2HG GLU 11 2HG GLU 11 -2.992 1.209 -1.839
77 HE1 GLU 11 HE2 GLU 11 -2.832 5.211 -1.216
78 H CYS 12 HN LAS 12 1.446 1.020 0.358
79 HA CYS 12 HA LAS 12 -0.274 -1.024 1.769
80 1HB CYS 12 2HB LAS 12 2.410 0.270 2.508
81 2HB CYS 12 1HB LAS 12 1.575 -0.793 3.637
82 H GLY 13 H GLY 13 0.386 2.422 1.979
83 1HA GLY 13 1HA GLY 13 -1.820 2.797 4.003
84 2HA GLY 13 2HA GLY 13 -0.226 3.058 4.689
85 1HN ABA 14 HN MLA 14 0.778 4.455 2.181
86 HA ABA 14 HA MLA 14 -0.163 7.104 3.241
87 1HB ABA 14 HB MLA 14 -0.562 8.296 1.373
88 1HG ABA 14 1HG2 MLA 14 -2.495 6.745 1.563
89 2HG ABA 14 2HG2 MLA 14 -2.200 7.227 -0.132
90 3HG ABA 14 3HG2 MLA 14 -1.711 5.615 0.433
91 H VAL 15 H VAL 15 2.239 5.340 3.547
92 HA VAL 15 HA VAL 15 4.421 7.362 2.919
93 HB VAL 15 HB VAL 15 3.823 6.443 5.792
94 1HG1 VAL 15 2HG1 VAL 15 6.019 8.385 4.808
95 2HG1 VAL 15 1HG1 VAL 15 5.624 8.044 6.513
96 3HG1 VAL 15 3HG1 VAL 15 6.283 6.763 5.491
97 1HG2 VAL 15 3HG2 VAL 15 3.490 9.273 4.591
98 2HG2 VAL 15 1HG2 VAL 15 2.181 8.211 5.160
99 3HG2 VAL 15 2HG2 VAL 15 3.344 8.859 6.319
100 H ILE 16 H ILE 16 3.771 4.157 4.274
101 HA ILE 16 HA ILE 16 6.630 3.514 4.608
102 HB ILE 16 HB ILE 16 4.082 1.865 4.953
103 1HG1 ILE 16 1HG1 ILE 16 4.347 3.575 6.649
104 2HG1 ILE 16 2HG1 ILE 16 4.474 1.976 7.332
105 1HG2 ILE 16 2HG2 ILE 16 6.882 0.759 5.537
106 2HG2 ILE 16 3HG2 ILE 16 5.339 0.043 6.079
107 3HG2 ILE 16 1HG2 ILE 16 5.703 0.142 4.356
108 1HD1 ILE 16 2HD1 ILE 16 7.014 2.250 7.490
109 2HD1 ILE 16 3HD1 ILE 16 6.846 3.905 6.844
110 3HD1 ILE 16 1HD1 ILE 16 6.111 3.479 8.403
111 H CYS 17 HN LAS 17 4.305 1.999 2.366
112 HA CYS 17 HA LAS 17 6.570 1.156 0.463
113 1HB CYS 17 2HB LAS 17 3.712 0.247 0.919
114 2HB CYS 17 1HB LAS 17 4.204 0.276 -0.719
115 H ALA 18 H ALA 18 5.424 1.489 -1.881
116 HA ALA 18 HA ALA 18 5.178 4.537 -2.346
117 1HB ALA 18 1HB ALA 18 6.673 3.222 -3.903
118 2HB ALA 18 2HB ALA 18 5.261 2.280 -4.447
119 3HB ALA 18 3HB ALA 18 5.337 4.029 -4.746
120 1HN CSX 19 HN LAS 19 3.298 3.758 -0.847
121 HA CSX 19 HA LAS 19 2.489 5.948 -2.510
122 1HB CSX 19 1HB LAS 19 0.040 5.271 -1.549
123 2HB CSX 19 2HB LAS 19 0.817 4.947 -0.019
124 HXT CSX 19 HO LAS 19 4.036 5.992 1.269
No H/Q in entry = 124
Start of MODEL 5
1 1HN DAL 1 1HN LAN 1 -4.563 -2.316 3.732
2 2HN DAL 1 2HN LAN 1 -6.156 -1.956 3.685
3 HA DAL 1 HA LAN 1 -5.314 -2.254 1.495
4 1HB DAL 1 1HB LAN 1 -3.317 -0.063 2.349
5 2HB DAL 1 2HB LAN 1 -3.580 -0.531 0.670
6 H SER 2 H SER 2 -5.351 -0.421 -0.278
7 HA SER 2 HA SER 2 -8.165 0.780 0.071
8 1HB SER 2 1HB SER 2 -6.195 1.152 -2.273
9 2HB SER 2 2HB SER 2 -7.861 1.737 -2.226
10 HG SER 2 HG SER 2 -5.809 2.407 -0.386
11 H GLY 3 H GLY 3 -8.360 -1.568 0.513
12 1HA GLY 3 1HA GLY 3 -9.587 -3.620 -0.200
13 2HA GLY 3 2HA GLY 3 -9.272 -3.264 -1.883
14 H TRP 4 H TRP 4 -7.312 -4.229 -2.772
15 HA TRP 4 HA TRP 4 -4.947 -4.509 -1.066
16 1HB TRP 4 1HB TRP 4 -5.976 -6.985 -2.363
17 2HB TRP 4 2HB TRP 4 -4.290 -6.804 -1.997
18 HD1 TRP 4 HD1 TRP 4 -7.657 -7.475 -0.166
19 HE1 TRP 4 HE1 TRP 4 -7.250 -8.175 2.340
20 HE3 TRP 4 HE3 TRP 4 -2.644 -6.549 -0.138
21 HZ2 TRP 4 HZ2 TRP 4 -4.891 -8.213 4.013
22 HZ3 TRP 4 HZ3 TRP 4 -1.363 -6.909 1.944
23 HH2 TRP 4 HH2 TRP 4 -2.471 -7.729 3.985
24 H VAL 5 H VAL 5 -4.901 -2.819 -2.368
25 HA VAL 5 HA VAL 5 -3.202 -3.265 -4.877
26 HB VAL 5 HB VAL 5 -3.715 -0.522 -3.616
27 1HG1 VAL 5 1HG1 VAL 5 -1.414 -0.710 -4.627
28 2HG1 VAL 5 2HG1 VAL 5 -2.124 -1.281 -6.153
29 3HG1 VAL 5 3HG1 VAL 5 -2.458 0.370 -5.564
30 1HG2 VAL 5 1HG2 VAL 5 -4.752 -1.687 -6.275
31 2HG2 VAL 5 2HG2 VAL 5 -5.736 -1.306 -4.842
32 3HG2 VAL 5 3HG2 VAL 5 -4.931 0.000 -5.724
33 H CYS 6 HN LAS 6 -2.389 -1.372 -2.059
34 HA CYS 6 HA LAS 6 -1.101 -1.886 -0.209
35 1HB CYS 6 1HB LAS 6 -3.658 -2.900 -0.162
36 2HB CYS 6 2HB LAS 6 -2.702 -4.223 0.455
37 1HN ABA 7 HN MLA 7 0.351 -2.668 0.563
38 HA ABA 7 HA MLA 7 0.943 -5.356 1.195
39 1HB ABA 7 HB MLA 7 2.588 -4.070 2.782
40 1HG ABA 7 1HG2 MLA 7 -0.290 -2.992 2.617
41 2HG ABA 7 2HG2 MLA 7 0.763 -2.959 4.044
42 3HG ABA 7 3HG2 MLA 7 0.176 -4.506 3.380
43 H LEU 8 H LEU 8 2.078 -4.572 -1.615
44 HA LEU 8 HA LEU 8 4.927 -5.671 -1.178
45 1HB LEU 8 1HB LEU 8 3.127 -6.469 -3.548
46 2HB LEU 8 2HB LEU 8 4.815 -6.838 -3.364
47 HG LEU 8 HG LEU 8 3.661 -8.804 -2.946
48 1HD1 LEU 8 3HD2 LEU 8 5.621 -8.454 -1.430
49 2HD1 LEU 8 1HD2 LEU 8 4.536 -7.851 -0.152
50 3HD1 LEU 8 2HD2 LEU 8 4.407 -9.535 -0.713
51 1HD2 LEU 8 2HD1 LEU 8 1.383 -7.903 -2.384
52 2HD2 LEU 8 3HD1 LEU 8 1.886 -9.258 -1.354
53 3HD2 LEU 8 1HD1 LEU 8 1.923 -7.604 -0.713
54 1HN ABA 9 HN MLA 9 4.772 -3.216 -0.934
55 HA ABA 9 HA MLA 9 6.413 -2.260 -3.227
56 1HB ABA 9 HB MLA 9 6.873 -0.300 -1.558
57 1HG ABA 9 1HG2 MLA 9 8.445 -2.245 -1.831
58 2HG ABA 9 2HG2 MLA 9 8.361 -1.679 -0.142
59 3HG ABA 9 3HG2 MLA 9 7.514 -3.166 -0.624
60 H ILE 10 H ILE 10 3.061 -1.676 -2.657
61 HA ILE 10 HA ILE 10 3.137 1.079 -3.827
62 HB ILE 10 HB ILE 10 1.457 -1.046 -5.324
63 1HG1 ILE 10 1HG1 ILE 10 2.909 -0.423 -7.428
64 2HG1 ILE 10 2HG1 ILE 10 4.159 0.067 -6.308
65 1HG2 ILE 10 2HG2 ILE 10 0.516 1.281 -5.329
66 2HG2 ILE 10 3HG2 ILE 10 2.031 1.912 -6.013
67 3HG2 ILE 10 1HG2 ILE 10 1.004 0.800 -6.954
68 1HD1 ILE 10 1HD1 ILE 10 2.860 -2.751 -6.470
69 2HD1 ILE 10 2HD1 ILE 10 4.397 -2.274 -7.228
70 3HD1 ILE 10 3HD1 ILE 10 4.268 -2.325 -5.466
71 H GLU 11 H GLU 11 2.029 1.977 -2.324
72 HA GLU 11 HA GLU 11 0.194 2.758 -1.063
73 1HB GLU 11 1HB GLU 11 -0.942 3.038 -3.140
74 2HB GLU 11 2HB GLU 11 -1.220 1.323 -3.295
75 1HG GLU 11 1HG GLU 11 -3.071 1.468 -1.619
76 2HG GLU 11 2HG GLU 11 -2.579 3.096 -1.153
77 HE2 GLU 11 HE2 GLU 11 -4.241 4.652 -3.730
78 H CYS 12 HN LAS 12 1.443 1.137 0.381
79 HA CYS 12 HA LAS 12 -0.259 -0.958 1.732
80 1HB CYS 12 2HB LAS 12 2.484 0.227 2.446
81 2HB CYS 12 1HB LAS 12 1.647 -0.861 3.553
82 H GLY 13 H GLY 13 0.508 2.455 2.132
83 1HA GLY 13 1HA GLY 13 -1.600 2.752 4.280
84 2HA GLY 13 2HA GLY 13 0.035 2.977 4.877
85 1HN ABA 14 HN MLA 14 0.926 4.466 2.401
86 HA ABA 14 HA MLA 14 0.022 7.078 3.584
87 1HB ABA 14 HB MLA 14 -0.441 8.330 1.781
88 1HG ABA 14 1HG2 MLA 14 -2.349 6.740 1.930
89 2HG ABA 14 2HG2 MLA 14 -2.097 7.329 0.264
90 3HG ABA 14 3HG2 MLA 14 -1.581 5.689 0.713
91 H VAL 15 H VAL 15 2.434 5.291 3.746
92 HA VAL 15 HA VAL 15 4.604 7.323 3.114
93 HB VAL 15 HB VAL 15 4.126 6.290 5.971
94 1HG1 VAL 15 2HG1 VAL 15 6.280 8.269 4.968
95 2HG1 VAL 15 1HG1 VAL 15 5.963 7.858 6.674
96 3HG1 VAL 15 3HG1 VAL 15 6.572 6.621 5.570
97 1HG2 VAL 15 3HG2 VAL 15 3.749 9.167 4.905
98 2HG2 VAL 15 1HG2 VAL 15 2.463 8.085 5.489
99 3HG2 VAL 15 2HG2 VAL 15 3.681 8.683 6.620
100 H ILE 16 H ILE 16 3.963 4.060 4.320
101 HA ILE 16 HA ILE 16 6.820 3.359 4.553
102 HB ILE 16 HB ILE 16 4.240 1.756 4.884
103 1HG1 ILE 16 1HG1 ILE 16 6.407 2.449 6.964
104 2HG1 ILE 16 2HG1 ILE 16 5.065 3.517 6.617
105 1HG2 ILE 16 1HG2 ILE 16 5.845 0.044 4.066
106 2HG2 ILE 16 2HG2 ILE 16 7.050 0.544 5.278
107 3HG2 ILE 16 3HG2 ILE 16 5.509 -0.204 5.773
108 1HD1 ILE 16 3HD1 ILE 16 3.403 1.736 7.292
109 2HD1 ILE 16 1HD1 ILE 16 4.760 0.675 7.757
110 3HD1 ILE 16 2HD1 ILE 16 4.509 2.217 8.600
111 H CYS 17 HN LAS 17 4.416 1.994 2.293
112 HA CYS 17 HA LAS 17 6.615 1.205 0.292
113 1HB CYS 17 2HB LAS 17 3.800 0.266 0.854
114 2HB CYS 17 1HB LAS 17 4.167 0.397 -0.820
115 H ALA 18 H ALA 18 5.348 1.617 -1.999
116 HA ALA 18 HA ALA 18 5.201 4.687 -2.360
117 1HB ALA 18 1HB ALA 18 6.547 3.345 -4.044
118 2HB ALA 18 2HB ALA 18 5.053 2.512 -4.551
119 3HB ALA 18 3HB ALA 18 5.221 4.266 -4.779
120 1HN CSX 19 HN LAS 19 3.374 3.887 -0.788
121 HA CSX 19 HA LAS 19 2.581 6.224 -2.241
122 1HB CSX 19 1HB LAS 19 0.128 5.487 -1.313
123 2HB CSX 19 2HB LAS 19 0.920 5.065 0.189
124 HXT CSX 19 HO LAS 19 4.169 5.899 1.505
No H/Q in entry = 124
Start of MODEL 6
1 1HN DAL 1 1HN LAN 1 -4.558 -2.592 3.872
2 2HN DAL 1 2HN LAN 1 -6.130 -2.149 3.823
3 HA DAL 1 HA LAN 1 -5.251 -2.321 1.633
4 1HB DAL 1 1HB LAN 1 -3.203 -0.239 2.643
5 2HB DAL 1 2HB LAN 1 -3.416 -0.698 0.951
6 H SER 2 H SER 2 -5.190 -0.373 -0.009
7 HA SER 2 HA SER 2 -7.839 1.127 0.439
8 1HB SER 2 1HB SER 2 -5.855 1.347 -1.906
9 2HB SER 2 2HB SER 2 -7.423 2.154 -1.806
10 HG SER 2 HG SER 2 -6.712 3.155 0.117
11 H GLY 3 H GLY 3 -8.348 -1.180 0.743
12 1HA GLY 3 1HA GLY 3 -9.909 -2.973 -0.122
13 2HA GLY 3 2HA GLY 3 -9.326 -2.697 -1.753
14 H TRP 4 H TRP 4 -7.520 -4.123 -2.363
15 HA TRP 4 HA TRP 4 -5.310 -4.301 -0.468
16 1HB TRP 4 1HB TRP 4 -6.386 -6.889 -1.490
17 2HB TRP 4 2HB TRP 4 -4.749 -6.744 -0.917
18 HD1 TRP 4 HD1 TRP 4 -4.374 -6.040 1.781
19 HE1 TRP 4 HE1 TRP 4 -5.725 -6.640 3.957
20 HE3 TRP 4 HE3 TRP 4 -8.688 -7.368 -0.597
21 HZ2 TRP 4 HZ2 TRP 4 -8.428 -7.564 4.400
22 HZ3 TRP 4 HZ3 TRP 4 -10.637 -8.062 0.756
23 HH2 TRP 4 HH2 TRP 4 -10.506 -8.157 3.212
24 H VAL 5 H VAL 5 -5.036 -2.831 -2.046
25 HA VAL 5 HA VAL 5 -3.367 -3.788 -4.423
26 HB VAL 5 HB VAL 5 -3.551 -0.878 -3.526
27 1HG1 VAL 5 1HG1 VAL 5 -1.334 -1.421 -4.587
28 2HG1 VAL 5 2HG1 VAL 5 -2.162 -2.139 -5.987
29 3HG1 VAL 5 3HG1 VAL 5 -2.312 -0.397 -5.648
30 1HG2 VAL 5 1HG2 VAL 5 -4.829 -2.236 -5.980
31 2HG2 VAL 5 2HG2 VAL 5 -5.700 -1.577 -4.575
32 3HG2 VAL 5 3HG2 VAL 5 -4.801 -0.486 -5.640
33 H CYS 6 HN LAS 6 -2.361 -1.664 -1.824
34 HA CYS 6 HA LAS 6 -1.054 -2.027 0.042
35 1HB CYS 6 1HB LAS 6 -3.566 -3.132 0.167
36 2HB CYS 6 2HB LAS 6 -2.564 -4.424 0.806
37 1HN ABA 7 HN MLA 7 0.437 -2.763 0.839
38 HA ABA 7 HA MLA 7 1.159 -5.441 1.467
39 1HB ABA 7 HB MLA 7 2.766 -4.102 3.039
40 1HG ABA 7 1HG2 MLA 7 0.361 -4.626 3.652
41 2HG ABA 7 2HG2 MLA 7 -0.147 -3.105 2.923
42 3HG ABA 7 3HG2 MLA 7 0.923 -3.082 4.339
43 H LEU 8 H LEU 8 2.121 -4.751 -1.360
44 HA LEU 8 HA LEU 8 4.951 -5.893 -1.031
45 1HB LEU 8 1HB LEU 8 4.753 -7.143 -2.989
46 2HB LEU 8 2HB LEU 8 3.373 -7.547 -2.011
47 HG LEU 8 HG LEU 8 3.306 -5.723 -4.508
48 1HD1 LEU 8 3HD2 LEU 8 3.889 -8.084 -5.066
49 2HD1 LEU 8 1HD2 LEU 8 2.438 -8.667 -4.214
50 3HD1 LEU 8 2HD2 LEU 8 2.279 -7.664 -5.678
51 1HD2 LEU 8 3HD1 LEU 8 0.927 -6.830 -2.877
52 2HD2 LEU 8 1HD1 LEU 8 1.366 -5.117 -3.098
53 3HD2 LEU 8 2HD1 LEU 8 0.798 -6.057 -4.478
54 1HN ABA 9 HN MLA 9 4.579 -3.248 -0.764
55 HA ABA 9 HA MLA 9 6.434 -2.272 -2.933
56 1HB ABA 9 HB MLA 9 6.818 -0.350 -1.275
57 1HG ABA 9 1HG2 MLA 9 7.343 -3.201 -0.215
58 2HG ABA 9 2HG2 MLA 9 8.357 -2.354 -1.406
59 3HG ABA 9 3HG2 MLA 9 8.207 -1.724 0.259
60 H ILE 10 H ILE 10 3.024 -1.780 -2.344
61 HA ILE 10 HA ILE 10 3.048 0.895 -3.725
62 HB ILE 10 HB ILE 10 1.241 -1.296 -4.926
63 1HG1 ILE 10 1HG1 ILE 10 2.716 -1.019 -7.116
64 2HG1 ILE 10 2HG1 ILE 10 4.018 -0.584 -6.032
65 1HG2 ILE 10 2HG2 ILE 10 0.494 1.085 -5.168
66 2HG2 ILE 10 3HG2 ILE 10 2.022 1.498 -5.980
67 3HG2 ILE 10 1HG2 ILE 10 0.868 0.371 -6.740
68 1HD1 ILE 10 2HD1 ILE 10 2.388 -3.228 -6.029
69 2HD1 ILE 10 3HD1 ILE 10 4.044 -3.007 -6.641
70 3HD1 ILE 10 1HD1 ILE 10 3.719 -2.888 -4.901
71 H GLU 11 H GLU 11 2.055 1.903 -2.152
72 HA GLU 11 HA GLU 11 0.515 2.628 -0.630
73 1HB GLU 11 1HB GLU 11 -1.612 3.066 -1.421
74 2HB GLU 11 2HB GLU 11 -0.587 3.090 -2.845
75 1HG GLU 11 1HG GLU 11 -1.385 0.783 -3.476
76 2HG GLU 11 2HG GLU 11 -2.513 0.808 -2.125
77 HE2 GLU 11 HE2 GLU 11 -3.259 2.765 -5.535
78 H CYS 12 HN LAS 12 1.559 0.814 0.565
79 HA CYS 12 HA LAS 12 -0.269 -1.028 2.058
80 1HB CYS 12 2HB LAS 12 2.518 0.143 2.735
81 2HB CYS 12 1HB LAS 12 1.677 -0.963 3.823
82 H GLY 13 H GLY 13 0.601 2.352 2.222
83 1HA GLY 13 1HA GLY 13 -1.192 2.798 4.671
84 2HA GLY 13 2HA GLY 13 0.510 3.157 4.883
85 1HN ABA 14 HN MLA 14 1.028 4.509 2.402
86 HA ABA 14 HA MLA 14 0.030 7.099 3.538
87 1HB ABA 14 HB MLA 14 -0.513 8.303 1.723
88 1HG ABA 14 1HG2 MLA 14 -2.357 6.650 1.960
89 2HG ABA 14 2HG2 MLA 14 -2.172 7.205 0.272
90 3HG ABA 14 3HG2 MLA 14 -1.584 5.596 0.750
91 H VAL 15 H VAL 15 2.469 5.434 3.761
92 HA VAL 15 HA VAL 15 4.605 7.430 2.949
93 HB VAL 15 HB VAL 15 4.197 6.608 5.886
94 1HG1 VAL 15 2HG2 VAL 15 6.323 8.511 4.691
95 2HG1 VAL 15 3HG2 VAL 15 6.046 8.227 6.429
96 3HG1 VAL 15 1HG2 VAL 15 6.632 6.912 5.406
97 1HG2 VAL 15 1HG1 VAL 15 3.789 9.400 4.621
98 2HG2 VAL 15 3HG1 VAL 15 2.519 8.362 5.310
99 3HG2 VAL 15 2HG1 VAL 15 3.759 9.042 6.368
100 H ILE 16 H ILE 16 3.981 4.253 4.368
101 HA ILE 16 HA ILE 16 6.832 3.519 4.583
102 HB ILE 16 HB ILE 16 4.239 1.958 5.002
103 1HG1 ILE 16 1HG1 ILE 16 6.438 2.696 7.031
104 2HG1 ILE 16 2HG1 ILE 16 5.102 3.766 6.667
105 1HG2 ILE 16 1HG2 ILE 16 5.817 0.203 4.222
106 2HG2 ILE 16 2HG2 ILE 16 7.043 0.731 5.400
107 3HG2 ILE 16 3HG2 ILE 16 5.503 0.014 5.940
108 1HD1 ILE 16 3HD1 ILE 16 3.432 2.025 7.419
109 2HD1 ILE 16 1HD1 ILE 16 4.784 0.965 7.902
110 3HD1 ILE 16 2HD1 ILE 16 4.558 2.536 8.697
111 H CYS 17 HN LAS 17 4.369 2.117 2.407
112 HA CYS 17 HA LAS 17 6.523 1.210 0.415
113 1HB CYS 17 2HB LAS 17 3.687 0.367 1.042
114 2HB CYS 17 1HB LAS 17 4.046 0.407 -0.638
115 H ALA 18 H ALA 18 5.257 1.551 -1.879
116 HA ALA 18 HA ALA 18 5.143 4.609 -2.380
117 1HB ALA 18 1HB ALA 18 6.482 3.181 -4.002
118 2HB ALA 18 2HB ALA 18 4.980 2.340 -4.471
119 3HB ALA 18 3HB ALA 18 5.162 4.080 -4.774
120 1HN CSX 19 HN LAS 19 3.337 3.907 -0.766
121 HA CSX 19 HA LAS 19 2.487 6.142 -2.338
122 1HB CSX 19 1HB LAS 19 0.057 5.431 -1.347
123 2HB CSX 19 2HB LAS 19 0.865 5.055 0.155
124 HXT CSX 19 HO LAS 19 4.136 6.052 1.395
No H/Q in entry = 124
Start of MODEL 7
1 1HN DAL 1 1HN LAN 1 -4.866 -2.788 3.463
2 2HN DAL 1 2HN LAN 1 -6.401 -2.236 3.356
3 HA DAL 1 HA LAN 1 -5.360 -2.196 1.234
4 1HB DAL 1 1HB LAN 1 -3.312 -0.335 2.599
5 2HB DAL 1 2HB LAN 1 -3.379 -0.686 0.873
6 H SER 2 H SER 2 -5.092 -0.086 -0.156
7 HA SER 2 HA SER 2 -7.643 1.548 0.315
8 1HB SER 2 1HB SER 2 -5.689 2.820 -0.586
9 2HB SER 2 2HB SER 2 -5.606 1.741 -1.986
10 HG SER 2 HG SER 2 -6.802 3.621 -2.371
11 H GLY 3 H GLY 3 -8.333 -0.719 0.471
12 1HA GLY 3 1HA GLY 3 -10.076 -2.276 -0.557
13 2HA GLY 3 2HA GLY 3 -9.319 -2.050 -2.125
14 H TRP 4 H TRP 4 -7.680 -3.723 -2.594
15 HA TRP 4 HA TRP 4 -5.599 -3.965 -0.580
16 1HB TRP 4 1HB TRP 4 -6.742 -6.530 -1.585
17 2HB TRP 4 2HB TRP 4 -5.131 -6.442 -0.936
18 HD1 TRP 4 HD1 TRP 4 -4.858 -5.639 1.754
19 HE1 TRP 4 HE1 TRP 4 -6.334 -6.108 3.880
20 HE3 TRP 4 HE3 TRP 4 -9.096 -6.909 -0.786
21 HZ2 TRP 4 HZ2 TRP 4 -9.087 -6.920 4.221
22 HZ3 TRP 4 HZ3 TRP 4 -11.133 -7.480 0.492
23 HH2 TRP 4 HH2 TRP 4 -11.126 -7.485 2.953
24 H VAL 5 H VAL 5 -5.138 -2.578 -2.148
25 HA VAL 5 HA VAL 5 -3.503 -3.637 -4.508
26 HB VAL 5 HB VAL 5 -3.468 -0.732 -3.526
27 1HG1 VAL 5 1HG1 VAL 5 -1.282 -1.414 -4.564
28 2HG1 VAL 5 2HG1 VAL 5 -2.137 -2.007 -6.005
29 3HG1 VAL 5 3HG1 VAL 5 -2.163 -0.273 -5.589
30 1HG2 VAL 5 1HG2 VAL 5 -4.799 -1.938 -6.032
31 2HG2 VAL 5 2HG2 VAL 5 -5.646 -1.256 -4.623
32 3HG2 VAL 5 3HG2 VAL 5 -4.657 -0.203 -5.645
33 H CYS 6 HN LAS 6 -2.367 -1.672 -1.875
34 HA CYS 6 HA LAS 6 -1.161 -2.111 0.017
35 1HB CYS 6 1HB LAS 6 -3.643 -3.218 0.027
36 2HB CYS 6 2HB LAS 6 -2.643 -4.507 0.683
37 1HN ABA 7 HN MLA 7 0.351 -2.789 0.745
38 HA ABA 7 HA MLA 7 1.094 -5.415 1.443
39 1HB ABA 7 HB MLA 7 2.642 -4.028 3.006
40 1HG ABA 7 1HG2 MLA 7 0.220 -4.500 3.572
41 2HG ABA 7 2HG2 MLA 7 -0.252 -3.004 2.775
42 3HG ABA 7 3HG2 MLA 7 0.778 -2.935 4.217
43 H LEU 8 H LEU 8 2.091 -4.850 -1.386
44 HA LEU 8 HA LEU 8 4.940 -5.916 -0.966
45 1HB LEU 8 1HB LEU 8 4.820 -7.212 -2.904
46 2HB LEU 8 2HB LEU 8 3.482 -7.658 -1.886
47 HG LEU 8 HG LEU 8 3.250 -5.944 -4.450
48 1HD1 LEU 8 2HD1 LEU 8 3.999 -8.275 -4.933
49 2HD1 LEU 8 3HD1 LEU 8 2.610 -8.931 -4.032
50 3HD1 LEU 8 1HD1 LEU 8 2.353 -7.998 -5.527
51 1HD2 LEU 8 2HD2 LEU 8 0.991 -7.160 -2.728
52 2HD2 LEU 8 3HD2 LEU 8 1.291 -5.429 -3.033
53 3HD2 LEU 8 1HD2 LEU 8 0.773 -6.473 -4.357
54 1HN ABA 9 HN MLA 9 4.854 -3.444 -0.650
55 HA ABA 9 HA MLA 9 6.580 -2.435 -2.854
56 1HB ABA 9 HB MLA 9 6.964 -0.494 -1.202
57 1HG ABA 9 1HG2 MLA 9 8.479 -2.517 -1.272
58 2HG ABA 9 2HG2 MLA 9 8.300 -1.857 0.378
59 3HG ABA 9 3HG2 MLA 9 7.430 -3.333 -0.089
60 H ILE 10 H ILE 10 3.190 -1.976 -2.429
61 HA ILE 10 HA ILE 10 3.211 0.672 -3.913
62 HB ILE 10 HB ILE 10 1.761 -1.774 -5.049
63 1HG1 ILE 10 1HG1 ILE 10 4.152 -2.022 -5.601
64 2HG1 ILE 10 2HG1 ILE 10 3.135 -1.824 -7.000
65 1HG2 ILE 10 2HG2 ILE 10 0.451 0.282 -5.448
66 2HG2 ILE 10 3HG2 ILE 10 1.861 1.103 -6.147
67 3HG2 ILE 10 1HG2 ILE 10 1.125 -0.293 -6.980
68 1HD1 ILE 10 2HD1 ILE 10 4.896 0.441 -5.844
69 2HD1 ILE 10 3HD1 ILE 10 5.299 -0.589 -7.235
70 3HD1 ILE 10 1HD1 ILE 10 3.924 0.533 -7.331
71 H GLU 11 H GLU 11 2.095 1.670 -2.418
72 HA GLU 11 HA GLU 11 0.257 2.526 -1.224
73 1HB GLU 11 1HB GLU 11 -0.851 2.691 -3.349
74 2HB GLU 11 2HB GLU 11 -1.127 0.973 -3.393
75 1HG GLU 11 1HG GLU 11 -3.152 2.358 -3.124
76 2HG GLU 11 2HG GLU 11 -3.005 1.220 -1.810
77 HE1 GLU 11 HE2 GLU 11 -2.813 5.223 -1.219
78 H CYS 12 HN LAS 12 1.444 1.021 0.360
79 HA CYS 12 HA LAS 12 -0.282 -1.020 1.772
80 1HB CYS 12 2HB LAS 12 2.407 0.262 2.514
81 2HB CYS 12 1HB LAS 12 1.567 -0.804 3.638
82 H GLY 13 H GLY 13 0.390 2.424 1.978
83 1HA GLY 13 1HA GLY 13 -1.809 2.803 4.013
84 2HA GLY 13 2HA GLY 13 -0.210 3.065 4.686
85 1HN ABA 14 HN MLA 14 0.782 4.461 2.179
86 HA ABA 14 HA MLA 14 -0.157 7.109 3.244
87 1HB ABA 14 HB MLA 14 -0.555 8.305 1.377
88 1HG ABA 14 1HG2 MLA 14 -2.492 6.758 1.572
89 2HG ABA 14 2HG2 MLA 14 -2.199 7.240 -0.124
90 3HG ABA 14 3HG2 MLA 14 -1.712 5.627 0.439
91 H VAL 15 H VAL 15 2.242 5.345 3.548
92 HA VAL 15 HA VAL 15 4.427 7.362 2.916
93 HB VAL 15 HB VAL 15 3.829 6.451 5.792
94 1HG1 VAL 15 2HG1 VAL 15 6.029 8.385 4.801
95 2HG1 VAL 15 1HG1 VAL 15 5.634 8.050 6.507
96 3HG1 VAL 15 3HG1 VAL 15 6.290 6.764 5.488
97 1HG2 VAL 15 3HG2 VAL 15 3.503 9.278 4.584
98 2HG2 VAL 15 1HG2 VAL 15 2.191 8.221 5.156
99 3HG2 VAL 15 2HG2 VAL 15 3.357 8.870 6.313
100 H ILE 16 H ILE 16 3.772 4.161 4.276
101 HA ILE 16 HA ILE 16 6.628 3.510 4.609
102 HB ILE 16 HB ILE 16 4.076 1.867 4.954
103 1HG1 ILE 16 1HG1 ILE 16 4.347 3.575 6.651
104 2HG1 ILE 16 2HG1 ILE 16 4.470 1.975 7.332
105 1HG2 ILE 16 2HG2 ILE 16 6.874 0.752 5.535
106 2HG2 ILE 16 3HG2 ILE 16 5.329 0.041 6.077
107 3HG2 ILE 16 1HG2 ILE 16 5.692 0.140 4.354
108 1HD1 ILE 16 3HD1 ILE 16 7.011 2.240 7.490
109 2HD1 ILE 16 1HD1 ILE 16 6.847 3.897 6.846
110 3HD1 ILE 16 2HD1 ILE 16 6.112 3.471 8.405
111 H CYS 17 HN LAS 17 4.299 2.002 2.366
112 HA CYS 17 HA LAS 17 6.563 1.157 0.463
113 1HB CYS 17 2HB LAS 17 3.706 0.246 0.922
114 2HB CYS 17 1HB LAS 17 4.196 0.275 -0.717
115 H ALA 18 H ALA 18 5.414 1.488 -1.880
116 HA ALA 18 HA ALA 18 5.169 4.536 -2.346
117 1HB ALA 18 1HB ALA 18 6.665 3.221 -3.902
118 2HB ALA 18 2HB ALA 18 5.252 2.279 -4.448
119 3HB ALA 18 3HB ALA 18 5.329 4.029 -4.745
120 1HN CSX 19 HN LAS 19 3.287 3.756 -0.849
121 HA CSX 19 HA LAS 19 2.481 5.948 -2.513
122 1HB CSX 19 1HB LAS 19 0.031 5.278 -1.548
123 2HB CSX 19 2HB LAS 19 0.810 4.951 -0.020
124 HXT CSX 19 HO LAS 19 4.031 5.993 1.265
No H/Q in entry = 124
Start of MODEL 8
1 1HN DAL 1 1HN LAN 1 -4.790 -2.729 3.587
2 2HN DAL 1 2HN LAN 1 -6.328 -2.182 3.499
3 HA DAL 1 HA LAN 1 -5.326 -2.174 1.358
4 1HB DAL 1 1HB LAN 1 -3.256 -0.289 2.657
5 2HB DAL 1 2HB LAN 1 -3.356 -0.665 0.937
6 H SER 2 H SER 2 -5.086 -0.083 -0.069
7 HA SER 2 HA SER 2 -7.635 1.549 0.421
8 1HB SER 2 1HB SER 2 -5.702 2.818 -0.525
9 2HB SER 2 2HB SER 2 -5.634 1.723 -1.913
10 HG SER 2 HG SER 2 -7.855 3.298 -1.100
11 H GLY 3 H GLY 3 -8.313 -0.720 0.616
12 1HA GLY 3 1HA GLY 3 -10.065 -2.295 -0.365
13 2HA GLY 3 2HA GLY 3 -9.336 -2.084 -1.948
14 H TRP 4 H TRP 4 -7.697 -3.753 -2.428
15 HA TRP 4 HA TRP 4 -5.584 -3.972 -0.445
16 1HB TRP 4 1HB TRP 4 -6.736 -6.549 -1.409
17 2HB TRP 4 2HB TRP 4 -5.115 -6.450 -0.785
18 HD1 TRP 4 HD1 TRP 4 -4.806 -5.622 1.894
19 HE1 TRP 4 HE1 TRP 4 -6.250 -6.078 4.045
20 HE3 TRP 4 HE3 TRP 4 -9.076 -6.928 -0.574
21 HZ2 TRP 4 HZ2 TRP 4 -8.995 -6.895 4.433
22 HZ3 TRP 4 HZ3 TRP 4 -11.093 -7.495 0.738
23 HH2 TRP 4 HH2 TRP 4 -11.050 -7.478 3.199
24 H VAL 5 H VAL 5 -5.151 -2.597 -2.033
25 HA VAL 5 HA VAL 5 -3.549 -3.674 -4.406
26 HB VAL 5 HB VAL 5 -3.509 -0.759 -3.455
27 1HG1 VAL 5 2HG2 VAL 5 -1.336 -1.445 -4.517
28 2HG1 VAL 5 3HG2 VAL 5 -2.210 -2.055 -5.940
29 3HG1 VAL 5 1HG2 VAL 5 -2.236 -0.318 -5.541
30 1HG2 VAL 5 3HG1 VAL 5 -4.873 -1.995 -5.929
31 2HG2 VAL 5 1HG1 VAL 5 -5.701 -1.301 -4.515
32 3HG2 VAL 5 2HG1 VAL 5 -4.730 -0.256 -5.562
33 H CYS 6 HN LAS 6 -2.380 -1.677 -1.810
34 HA CYS 6 HA LAS 6 -1.142 -2.096 0.067
35 1HB CYS 6 1HB LAS 6 -3.625 -3.203 0.128
36 2HB CYS 6 2HB LAS 6 -2.616 -4.484 0.782
37 1HN ABA 7 HN MLA 7 0.381 -2.768 0.774
38 HA ABA 7 HA MLA 7 1.126 -5.384 1.503
39 1HB ABA 7 HB MLA 7 2.698 -3.973 3.021
40 1HG ABA 7 1HG2 MLA 7 -0.197 -2.952 2.817
41 2HG ABA 7 2HG2 MLA 7 0.854 -2.863 4.243
42 3HG ABA 7 3HG2 MLA 7 0.286 -4.437 3.629
43 H LEU 8 H LEU 8 2.099 -4.859 -1.346
44 HA LEU 8 HA LEU 8 4.957 -5.906 -0.937
45 1HB LEU 8 1HB LEU 8 4.829 -7.219 -2.865
46 2HB LEU 8 2HB LEU 8 3.502 -7.664 -1.832
47 HG LEU 8 HG LEU 8 3.236 -5.968 -4.405
48 1HD1 LEU 8 2HD1 LEU 8 3.999 -8.294 -4.882
49 2HD1 LEU 8 3HD1 LEU 8 2.624 -8.958 -3.965
50 3HD1 LEU 8 1HD1 LEU 8 2.345 -8.035 -5.463
51 1HD2 LEU 8 2HD2 LEU 8 1.002 -7.192 -2.656
52 2HD2 LEU 8 3HD2 LEU 8 1.285 -5.461 -2.974
53 3HD2 LEU 8 1HD2 LEU 8 0.764 -6.517 -4.287
54 1HN ABA 9 HN MLA 9 4.859 -3.426 -0.644
55 HA ABA 9 HA MLA 9 6.563 -2.434 -2.874
56 1HB ABA 9 HB MLA 9 6.965 -0.473 -1.268
57 1HG ABA 9 1HG2 MLA 9 8.468 -2.506 -1.293
58 2HG ABA 9 2HG2 MLA 9 8.304 -1.799 0.339
59 3HG ABA 9 3HG2 MLA 9 7.422 -3.283 -0.080
60 H ILE 10 H ILE 10 3.174 -1.988 -2.410
61 HA ILE 10 HA ILE 10 3.161 0.627 -3.954
62 HB ILE 10 HB ILE 10 1.699 -1.850 -5.006
63 1HG1 ILE 10 1HG1 ILE 10 4.082 -2.122 -5.580
64 2HG1 ILE 10 2HG1 ILE 10 3.046 -1.961 -6.970
65 1HG2 ILE 10 2HG2 ILE 10 0.392 0.203 -5.443
66 2HG2 ILE 10 3HG2 ILE 10 1.796 0.996 -6.184
67 3HG2 ILE 10 1HG2 ILE 10 1.042 -0.419 -6.968
68 1HD1 ILE 10 3HD1 ILE 10 4.833 0.329 -5.907
69 2HD1 ILE 10 1HD1 ILE 10 5.210 -0.742 -7.273
70 3HD1 ILE 10 2HD1 ILE 10 3.839 0.383 -7.381
71 H GLU 11 H GLU 11 2.069 1.650 -2.458
72 HA GLU 11 HA GLU 11 0.248 2.529 -1.252
73 1HB GLU 11 1HB GLU 11 -0.897 2.660 -3.357
74 2HB GLU 11 2HB GLU 11 -1.163 0.940 -3.378
75 1HG GLU 11 1HG GLU 11 -3.196 2.309 -3.099
76 2HG GLU 11 2HG GLU 11 -3.022 1.188 -1.776
77 HE1 GLU 11 HE2 GLU 11 -2.812 5.203 -1.230
78 H CYS 12 HN LAS 12 1.459 1.050 0.339
79 HA CYS 12 HA LAS 12 -0.241 -0.978 1.800
80 1HB CYS 12 2HB LAS 12 2.466 0.303 2.476
81 2HB CYS 12 1HB LAS 12 1.640 -0.750 3.626
82 H GLY 13 H GLY 13 0.446 2.465 1.972
83 1HA GLY 13 1HA GLY 13 -1.637 2.844 4.153
84 2HA GLY 13 2HA GLY 13 0.011 3.158 4.667
85 1HN ABA 14 HN MLA 14 0.901 4.554 2.262
86 HA ABA 14 HA MLA 14 -0.161 7.174 3.223
87 1HB ABA 14 HB MLA 14 -0.573 8.317 1.317
88 1HG ABA 14 1HG2 MLA 14 -2.462 6.727 1.559
89 2HG ABA 14 2HG2 MLA 14 -2.189 7.170 -0.151
90 3HG ABA 14 3HG2 MLA 14 -1.656 5.585 0.456
91 H VAL 15 H VAL 15 2.236 5.574 3.710
92 HA VAL 15 HA VAL 15 4.435 7.424 2.762
93 HB VAL 15 HB VAL 15 3.235 8.250 4.848
94 1HG1 VAL 15 1HG2 VAL 15 3.018 6.101 6.142
95 2HG1 VAL 15 2HG2 VAL 15 4.778 6.111 6.420
96 3HG1 VAL 15 3HG2 VAL 15 3.762 7.414 7.077
97 1HG2 VAL 15 3HG1 VAL 15 5.461 9.143 4.158
98 2HG2 VAL 15 2HG1 VAL 15 5.279 9.138 5.922
99 3HG2 VAL 15 1HG1 VAL 15 6.281 7.897 5.130
100 H ILE 16 H ILE 16 3.794 4.237 4.062
101 HA ILE 16 HA ILE 16 6.682 3.618 4.535
102 HB ILE 16 HB ILE 16 4.129 1.980 4.865
103 1HG1 ILE 16 1HG1 ILE 16 6.217 2.829 6.961
104 2HG1 ILE 16 2HG1 ILE 16 4.832 3.814 6.544
105 1HG2 ILE 16 1HG2 ILE 16 5.821 0.290 4.150
106 2HG2 ILE 16 2HG2 ILE 16 6.969 0.880 5.376
107 3HG2 ILE 16 3HG2 ILE 16 5.443 0.092 5.855
108 1HD1 ILE 16 1HD1 ILE 16 3.242 1.985 7.254
109 2HD1 ILE 16 2HD1 ILE 16 4.637 1.012 7.794
110 3HD1 ILE 16 3HD1 ILE 16 4.292 2.574 8.564
111 H CYS 17 HN LAS 17 4.368 2.025 2.279
112 HA CYS 17 HA LAS 17 6.628 1.208 0.387
113 1HB CYS 17 2HB LAS 17 3.752 0.371 0.873
114 2HB CYS 17 1HB LAS 17 4.221 0.356 -0.771
115 H ALA 18 H ALA 18 5.455 1.492 -1.972
116 HA ALA 18 HA ALA 18 5.189 4.533 -2.541
117 1HB ALA 18 1HB ALA 18 6.598 3.155 -4.134
118 2HB ALA 18 2HB ALA 18 5.152 2.204 -4.564
119 3HB ALA 18 3HB ALA 18 5.217 3.942 -4.921
120 1HN CSX 19 HN LAS 19 3.468 3.886 -0.911
121 HA CSX 19 HA LAS 19 2.422 5.906 -2.661
122 1HB CSX 19 1HB LAS 19 0.097 5.199 -1.459
123 2HB CSX 19 2HB LAS 19 1.001 4.999 0.023
124 HXT CSX 19 HO LAS 19 4.614 7.876 -1.110
No H/Q in entry = 124
Start of MODEL 9
1 1HN DAL 1 1HN LAN 1 -4.937 -0.992 4.316
2 2HN DAL 1 2HN LAN 1 -4.640 -2.511 3.789
3 HA DAL 1 HA LAN 1 -5.371 -1.998 1.575
4 1HB DAL 1 1HB LAN 1 -3.173 -0.168 2.737
5 2HB DAL 1 2HB LAN 1 -3.393 -0.520 1.023
6 H SER 2 H SER 2 -5.153 0.151 0.147
7 HA SER 2 HA SER 2 -7.677 1.772 0.797
8 1HB SER 2 1HB SER 2 -5.758 2.027 -1.593
9 2HB SER 2 2HB SER 2 -7.246 2.948 -1.364
10 HG SER 2 HG SER 2 -5.421 4.047 -0.627
11 H GLY 3 H GLY 3 -8.355 -0.504 0.927
12 1HA GLY 3 1HA GLY 3 -10.175 -2.000 -0.065
13 2HA GLY 3 2HA GLY 3 -9.485 -1.738 -1.659
14 H TRP 4 H TRP 4 -7.903 -3.433 -2.255
15 HA TRP 4 HA TRP 4 -5.756 -3.807 -0.299
16 1HB TRP 4 1HB TRP 4 -6.875 -6.292 -1.530
17 2HB TRP 4 2HB TRP 4 -5.359 -6.255 -0.690
18 HD1 TRP 4 HD1 TRP 4 -9.015 -6.915 -0.040
19 HE1 TRP 4 HE1 TRP 4 -9.595 -7.167 2.514
20 HE3 TRP 4 HE3 TRP 4 -4.581 -5.124 1.713
21 HZ2 TRP 4 HZ2 TRP 4 -8.134 -6.553 4.932
22 HZ3 TRP 4 HZ3 TRP 4 -4.233 -4.941 4.153
23 HH2 TRP 4 HH2 TRP 4 -5.985 -5.645 5.735
24 H VAL 5 H VAL 5 -5.365 -2.292 -1.880
25 HA VAL 5 HA VAL 5 -3.852 -3.250 -4.350
26 HB VAL 5 HB VAL 5 -3.768 -0.384 -3.258
27 1HG1 VAL 5 2HG2 VAL 5 -1.653 -0.988 -4.456
28 2HG1 VAL 5 3HG2 VAL 5 -2.590 -1.543 -5.862
29 3HG1 VAL 5 1HG2 VAL 5 -2.617 0.174 -5.378
30 1HG2 VAL 5 3HG1 VAL 5 -5.256 -1.520 -5.709
31 2HG2 VAL 5 1HG1 VAL 5 -6.012 -0.901 -4.220
32 3HG2 VAL 5 2HG1 VAL 5 -5.108 0.201 -5.269
33 H CYS 6 HN LAS 6 -2.517 -1.388 -1.738
34 HA CYS 6 HA LAS 6 -1.209 -1.923 0.061
35 1HB CYS 6 1HB LAS 6 -3.722 -3.002 0.162
36 2HB CYS 6 2HB LAS 6 -2.710 -4.318 0.712
37 1HN ABA 7 HN MLA 7 0.316 -2.673 0.689
38 HA ABA 7 HA MLA 7 0.946 -5.331 1.325
39 1HB ABA 7 HB MLA 7 2.642 -4.024 2.837
40 1HG ABA 7 1HG2 MLA 7 0.238 -4.446 3.504
41 2HG ABA 7 2HG2 MLA 7 -0.227 -2.924 2.753
42 3HG ABA 7 3HG2 MLA 7 0.869 -2.908 4.148
43 H LEU 8 H LEU 8 1.973 -4.674 -1.527
44 HA LEU 8 HA LEU 8 4.854 -5.735 -1.146
45 1HB LEU 8 1HB LEU 8 3.022 -6.489 -3.489
46 2HB LEU 8 2HB LEU 8 4.705 -6.928 -3.319
47 HG LEU 8 HG LEU 8 2.481 -7.865 -1.405
48 1HD1 LEU 8 2HD1 LEU 8 2.184 -8.807 -3.698
49 2HD1 LEU 8 3HD1 LEU 8 3.863 -9.403 -3.698
50 3HD1 LEU 8 1HD1 LEU 8 2.673 -10.071 -2.553
51 1HD2 LEU 8 2HD2 LEU 8 5.430 -8.788 -1.593
52 2HD2 LEU 8 3HD2 LEU 8 4.701 -7.876 -0.248
53 3HD2 LEU 8 1HD2 LEU 8 4.173 -9.534 -0.575
54 1HN ABA 9 HN MLA 9 4.781 -3.323 -0.863
55 HA ABA 9 HA MLA 9 6.355 -2.324 -3.171
56 1HB ABA 9 HB MLA 9 6.832 -0.369 -1.532
57 1HG ABA 9 1HG2 MLA 9 8.374 -2.348 -1.723
58 2HG ABA 9 2HG2 MLA 9 8.282 -1.720 -0.056
59 3HG ABA 9 3HG2 MLA 9 7.417 -3.210 -0.493
60 H ILE 10 H ILE 10 3.017 -1.805 -2.549
61 HA ILE 10 HA ILE 10 3.006 0.875 -3.990
62 HB ILE 10 HB ILE 10 1.432 -1.514 -5.072
63 1HG1 ILE 10 1HG1 ILE 10 3.783 -1.805 -5.768
64 2HG1 ILE 10 2HG1 ILE 10 2.688 -1.568 -7.100
65 1HG2 ILE 10 2HG2 ILE 10 0.148 0.574 -5.367
66 2HG2 ILE 10 3HG2 ILE 10 1.536 1.378 -6.127
67 3HG2 ILE 10 1HG2 ILE 10 0.724 0.015 -6.944
68 1HD1 ILE 10 3HD1 ILE 10 4.560 0.648 -6.027
69 2HD1 ILE 10 1HD1 ILE 10 4.862 -0.374 -7.449
70 3HD1 ILE 10 2HD1 ILE 10 3.506 0.774 -7.454
71 H GLU 11 H GLU 11 2.048 1.846 -2.373
72 HA GLU 11 HA GLU 11 0.303 2.752 -1.052
73 1HB GLU 11 1HB GLU 11 -0.864 3.045 -3.132
74 2HB GLU 11 2HB GLU 11 -1.291 1.355 -3.185
75 1HG GLU 11 1HG GLU 11 -3.040 1.753 -1.429
76 2HG GLU 11 2HG GLU 11 -2.348 3.327 -1.042
77 HE1 GLU 11 HE2 GLU 11 -4.629 2.761 -4.362
78 H CYS 12 HN LAS 12 1.478 1.124 0.401
79 HA CYS 12 HA LAS 12 -0.246 -0.920 1.801
80 1HB CYS 12 2HB LAS 12 2.514 0.266 2.450
81 2HB CYS 12 1HB LAS 12 1.700 -0.810 3.585
82 H GLY 13 H GLY 13 0.518 2.486 2.114
83 1HA GLY 13 1HA GLY 13 -1.554 2.818 4.301
84 2HA GLY 13 2HA GLY 13 0.092 3.090 4.847
85 1HN ABA 14 HN MLA 14 0.923 4.518 2.344
86 HA ABA 14 HA MLA 14 -0.011 7.141 3.483
87 1HB ABA 14 HB MLA 14 -0.403 8.375 1.649
88 1HG ABA 14 1HG2 MLA 14 -2.332 6.815 1.825
89 2HG ABA 14 2HG2 MLA 14 -2.069 7.374 0.151
90 3HG ABA 14 3HG2 MLA 14 -1.578 5.732 0.629
91 H VAL 15 H VAL 15 2.397 5.347 3.724
92 HA VAL 15 HA VAL 15 4.571 7.406 3.176
93 HB VAL 15 HB VAL 15 4.030 6.274 5.983
94 1HG1 VAL 15 2HG2 VAL 15 6.200 8.294 5.103
95 2HG1 VAL 15 3HG2 VAL 15 5.839 7.827 6.785
96 3HG1 VAL 15 1HG2 VAL 15 6.483 6.628 5.660
97 1HG2 VAL 15 1HG1 VAL 15 3.669 9.183 4.998
98 2HG2 VAL 15 3HG1 VAL 15 2.371 8.077 5.507
99 3HG2 VAL 15 2HG1 VAL 15 3.551 8.643 6.693
100 H ILE 16 H ILE 16 3.952 4.099 4.275
101 HA ILE 16 HA ILE 16 6.828 3.452 4.499
102 HB ILE 16 HB ILE 16 4.280 1.811 4.860
103 1HG1 ILE 16 1HG1 ILE 16 6.457 2.543 6.915
104 2HG1 ILE 16 2HG1 ILE 16 5.094 3.589 6.580
105 1HG2 ILE 16 1HG2 ILE 16 5.903 0.122 4.030
106 2HG2 ILE 16 2HG2 ILE 16 7.112 0.644 5.227
107 3HG2 ILE 16 3HG2 ILE 16 5.589 -0.127 5.741
108 1HD1 ILE 16 2HD1 ILE 16 3.468 1.784 7.277
109 2HD1 ILE 16 3HD1 ILE 16 4.847 0.745 7.731
110 3HD1 ILE 16 1HD1 ILE 16 4.580 2.286 8.572
111 H CYS 17 HN LAS 17 4.428 2.029 2.261
112 HA CYS 17 HA LAS 17 6.622 1.185 0.287
113 1HB CYS 17 2HB LAS 17 3.759 0.367 0.815
114 2HB CYS 17 1HB LAS 17 4.163 0.442 -0.849
115 H ALA 18 H ALA 18 5.407 1.585 -2.032
116 HA ALA 18 HA ALA 18 5.225 4.654 -2.479
117 1HB ALA 18 1HB ALA 18 6.568 3.304 -4.153
118 2HB ALA 18 2HB ALA 18 5.087 2.415 -4.596
119 3HB ALA 18 3HB ALA 18 5.196 4.164 -4.880
120 1HN CSX 19 HN LAS 19 3.519 3.975 -0.841
121 HA CSX 19 HA LAS 19 2.495 6.100 -2.473
122 1HB CSX 19 1HB LAS 19 0.171 5.386 -1.273
123 2HB CSX 19 2HB LAS 19 1.092 5.097 0.185
124 HXT CSX 19 HO LAS 19 4.782 7.917 -0.871
No H/Q in entry = 124
Start of MODEL 10
1 1HN DAL 1 1HN LAN 1 -6.186 -2.154 3.874
2 2HN DAL 1 2HN LAN 1 -5.002 -1.160 4.405
3 HA DAL 1 HA LAN 1 -5.269 -2.229 1.668
4 1HB DAL 1 1HB LAN 1 -3.168 -0.304 2.857
5 2HB DAL 1 2HB LAN 1 -3.344 -0.670 1.141
6 H SER 2 H SER 2 -5.121 -0.152 0.203
7 HA SER 2 HA SER 2 -7.702 1.416 0.769
8 1HB SER 2 1HB SER 2 -5.764 1.652 -1.610
9 2HB SER 2 2HB SER 2 -7.286 2.528 -1.430
10 HG SER 2 HG SER 2 -6.477 3.400 0.517
11 H GLY 3 H GLY 3 -8.302 -0.879 0.976
12 1HA GLY 3 1HA GLY 3 -10.010 -2.519 0.051
13 2HA GLY 3 2HA GLY 3 -9.390 -2.236 -1.566
14 H TRP 4 H TRP 4 -7.687 -3.779 -2.199
15 HA TRP 4 HA TRP 4 -5.494 -4.075 -0.310
16 1HB TRP 4 1HB TRP 4 -6.650 -6.609 -1.378
17 2HB TRP 4 2HB TRP 4 -5.012 -6.524 -0.801
18 HD1 TRP 4 HD1 TRP 4 -4.624 -5.869 1.911
19 HE1 TRP 4 HE1 TRP 4 -5.999 -6.462 4.074
20 HE3 TRP 4 HE3 TRP 4 -8.966 -7.039 -0.498
21 HZ2 TRP 4 HZ2 TRP 4 -8.728 -7.316 4.496
22 HZ3 TRP 4 HZ3 TRP 4 -10.939 -7.697 0.839
23 HH2 TRP 4 HH2 TRP 4 -10.818 -7.832 3.293
24 H VAL 5 H VAL 5 -5.144 -2.607 -1.834
25 HA VAL 5 HA VAL 5 -3.572 -3.538 -4.290
26 HB VAL 5 HB VAL 5 -3.599 -0.661 -3.228
27 1HG1 VAL 5 2HG2 VAL 5 -1.417 -1.243 -4.326
28 2HG1 VAL 5 3HG2 VAL 5 -2.281 -1.820 -5.768
29 3HG1 VAL 5 1HG2 VAL 5 -2.355 -0.101 -5.298
30 1HG2 VAL 5 3HG1 VAL 5 -4.947 -1.848 -5.736
31 2HG2 VAL 5 1HG1 VAL 5 -5.783 -1.225 -4.293
32 3HG2 VAL 5 2HG1 VAL 5 -4.849 -0.119 -5.312
33 H CYS 6 HN LAS 6 -2.403 -1.613 -1.638
34 HA CYS 6 HA LAS 6 -1.106 -2.093 0.194
35 1HB CYS 6 1HB LAS 6 -3.613 -3.155 0.302
36 2HB CYS 6 2HB LAS 6 -2.615 -4.467 0.899
37 1HN ABA 7 HN MLA 7 0.426 -2.815 0.827
38 HA ABA 7 HA MLA 7 1.156 -5.473 1.459
39 1HB ABA 7 HB MLA 7 2.778 -4.122 2.987
40 1HG ABA 7 1HG2 MLA 7 0.376 -4.612 3.634
41 2HG ABA 7 2HG2 MLA 7 -0.115 -3.083 2.909
42 3HG ABA 7 3HG2 MLA 7 0.977 -3.076 4.308
43 H LEU 8 H LEU 8 2.063 -4.871 -1.399
44 HA LEU 8 HA LEU 8 4.917 -5.963 -1.080
45 1HB LEU 8 1HB LEU 8 4.713 -7.046 -3.253
46 2HB LEU 8 2HB LEU 8 3.667 -7.695 -2.038
47 HG LEU 8 HG LEU 8 2.731 -7.770 -4.277
48 1HD1 LEU 8 2HD1 LEU 8 1.164 -7.707 -2.293
49 2HD1 LEU 8 3HD1 LEU 8 0.891 -5.974 -2.611
50 3HD1 LEU 8 1HD1 LEU 8 0.436 -7.183 -3.825
51 1HD2 LEU 8 3HD2 LEU 8 3.586 -5.690 -5.324
52 2HD2 LEU 8 1HD2 LEU 8 1.832 -5.843 -5.528
53 3HD2 LEU 8 2HD2 LEU 8 2.483 -4.707 -4.323
54 1HN ABA 9 HN MLA 9 4.806 -3.463 -0.661
55 HA ABA 9 HA MLA 9 6.554 -2.400 -2.836
56 1HB ABA 9 HB MLA 9 6.975 -0.518 -1.160
57 1HG ABA 9 1HG2 MLA 9 8.447 -2.577 -1.261
58 2HG ABA 9 2HG2 MLA 9 8.298 -1.925 0.396
59 3HG ABA 9 3HG2 MLA 9 7.390 -3.377 -0.074
60 H ILE 10 H ILE 10 3.166 -1.970 -2.343
61 HA ILE 10 HA ILE 10 3.156 0.693 -3.812
62 HB ILE 10 HB ILE 10 1.651 -1.746 -4.889
63 1HG1 ILE 10 1HG1 ILE 10 4.020 -2.032 -5.506
64 2HG1 ILE 10 2HG1 ILE 10 2.968 -1.828 -6.878
65 1HG2 ILE 10 2HG2 ILE 10 0.357 0.325 -5.266
66 2HG2 ILE 10 3HG2 ILE 10 1.757 1.120 -6.013
67 3HG2 ILE 10 1HG2 ILE 10 0.978 -0.272 -6.812
68 1HD1 ILE 10 3HD1 ILE 10 4.790 0.420 -5.785
69 2HD1 ILE 10 1HD1 ILE 10 5.144 -0.624 -7.178
70 3HD1 ILE 10 2HD1 ILE 10 3.782 0.515 -7.246
71 H GLU 11 H GLU 11 2.125 1.678 -2.250
72 HA GLU 11 HA GLU 11 0.326 2.555 -0.979
73 1HB GLU 11 1HB GLU 11 -0.811 2.774 -3.081
74 2HB GLU 11 2HB GLU 11 -1.171 1.067 -3.123
75 1HG GLU 11 1HG GLU 11 -2.976 1.415 -1.419
76 2HG GLU 11 2HG GLU 11 -2.378 3.032 -1.054
77 HE2 GLU 11 HE2 GLU 11 -4.075 4.548 -3.619
78 H CYS 12 HN LAS 12 1.533 0.971 0.518
79 HA CYS 12 HA LAS 12 -0.197 -1.049 1.954
80 1HB CYS 12 2HB LAS 12 2.542 0.158 2.672
81 2HB CYS 12 1HB LAS 12 1.693 -0.951 3.749
82 H GLY 13 H GLY 13 0.569 2.367 2.191
83 1HA GLY 13 1HA GLY 13 -1.494 2.744 4.386
84 2HA GLY 13 2HA GLY 13 0.157 3.063 4.888
85 1HN ABA 14 HN MLA 14 0.936 4.411 2.340
86 HA ABA 14 HA MLA 14 -0.034 7.056 3.375
87 1HB ABA 14 HB MLA 14 -0.541 8.199 1.517
88 1HG ABA 14 1HG2 MLA 14 -2.400 6.558 1.746
89 2HG ABA 14 2HG2 MLA 14 -2.168 7.074 0.052
90 3HG ABA 14 3HG2 MLA 14 -1.601 5.474 0.579
91 H VAL 15 H VAL 15 2.396 5.348 3.670
92 HA VAL 15 HA VAL 15 4.550 7.324 2.863
93 HB VAL 15 HB VAL 15 4.006 6.632 5.808
94 1HG1 VAL 15 2HG2 VAL 15 6.258 8.409 4.656
95 2HG1 VAL 15 3HG2 VAL 15 5.871 8.219 6.386
96 3HG1 VAL 15 1HG2 VAL 15 6.471 6.838 5.464
97 1HG2 VAL 15 1HG1 VAL 15 3.756 9.371 4.402
98 2HG2 VAL 15 3HG1 VAL 15 2.421 8.403 5.071
99 3HG2 VAL 15 2HG1 VAL 15 3.626 9.095 6.159
100 H ILE 16 H ILE 16 3.917 4.163 4.329
101 HA ILE 16 HA ILE 16 6.774 3.500 4.656
102 HB ILE 16 HB ILE 16 4.207 1.887 5.062
103 1HG1 ILE 16 1HG1 ILE 16 5.093 1.725 7.443
104 2HG1 ILE 16 2HG1 ILE 16 6.434 2.772 7.012
105 1HG2 ILE 16 2HG2 ILE 16 7.019 0.680 5.418
106 2HG2 ILE 16 3HG2 ILE 16 5.493 -0.039 5.995
107 3HG2 ILE 16 1HG2 ILE 16 5.772 0.142 4.268
108 1HD1 ILE 16 3HD1 ILE 16 3.452 3.607 6.873
109 2HD1 ILE 16 1HD1 ILE 16 4.529 3.896 8.262
110 3HD1 ILE 16 2HD1 ILE 16 4.869 4.685 6.714
111 H CYS 17 HN LAS 17 4.421 1.965 2.459
112 HA CYS 17 HA LAS 17 6.629 1.125 0.498
113 1HB CYS 17 2HB LAS 17 3.765 0.272 1.022
114 2HB CYS 17 1HB LAS 17 4.209 0.293 -0.631
115 H ALA 18 H ALA 18 5.445 1.468 -1.825
116 HA ALA 18 HA ALA 18 5.239 4.522 -2.306
117 1HB ALA 18 1HB ALA 18 6.694 3.183 -3.885
118 2HB ALA 18 2HB ALA 18 5.257 2.264 -4.407
119 3HB ALA 18 3HB ALA 18 5.355 4.012 -4.702
120 1HN CSX 19 HN LAS 19 3.399 3.775 -0.767
121 HA CSX 19 HA LAS 19 2.548 5.950 -2.413
122 1HB CSX 19 1HB LAS 19 0.110 5.229 -1.443
123 2HB CSX 19 2HB LAS 19 0.898 4.910 0.083
124 HXT CSX 19 HO LAS 19 4.139 5.972 1.345
No H/Q in entry = 124
Start of MODEL 11
1 1HN DAL 1 1HN LAN 1 -5.153 -1.186 4.061
2 2HN DAL 1 2HN LAN 1 -4.789 -2.692 3.540
3 HA DAL 1 HA LAN 1 -5.347 -2.161 1.284
4 1HB DAL 1 1HB LAN 1 -3.290 -0.286 2.615
5 2HB DAL 1 2HB LAN 1 -3.369 -0.655 0.893
6 H SER 2 H SER 2 -5.089 -0.065 -0.129
7 HA SER 2 HA SER 2 -7.636 1.575 0.344
8 1HB SER 2 1HB SER 2 -5.688 2.835 -0.587
9 2HB SER 2 2HB SER 2 -5.617 1.741 -1.976
10 HG SER 2 HG SER 2 -6.815 3.616 -2.372
11 H GLY 3 H GLY 3 -8.325 -0.691 0.531
12 1HA GLY 3 1HA GLY 3 -10.078 -2.257 -0.465
13 2HA GLY 3 2HA GLY 3 -9.333 -2.050 -2.042
14 H TRP 4 H TRP 4 -7.698 -3.728 -2.505
15 HA TRP 4 HA TRP 4 -5.602 -3.948 -0.505
16 1HB TRP 4 1HB TRP 4 -6.752 -6.524 -1.473
17 2HB TRP 4 2HB TRP 4 -5.136 -6.428 -0.838
18 HD1 TRP 4 HD1 TRP 4 -4.842 -5.593 1.841
19 HE1 TRP 4 HE1 TRP 4 -6.300 -6.041 3.984
20 HE3 TRP 4 HE3 TRP 4 -9.098 -6.899 -0.650
21 HZ2 TRP 4 HZ2 TRP 4 -9.049 -6.855 4.357
22 HZ3 TRP 4 HZ3 TRP 4 -11.124 -7.461 0.650
23 HH2 TRP 4 HH2 TRP 4 -11.096 -7.438 3.112
24 H VAL 5 H VAL 5 -5.153 -2.578 -2.092
25 HA VAL 5 HA VAL 5 -3.537 -3.663 -4.452
26 HB VAL 5 HB VAL 5 -3.491 -0.748 -3.501
27 1HG1 VAL 5 1HG1 VAL 5 -1.315 -1.444 -4.550
28 2HG1 VAL 5 2HG1 VAL 5 -2.183 -2.049 -5.978
29 3HG1 VAL 5 3HG1 VAL 5 -2.204 -0.311 -5.579
30 1HG2 VAL 5 1HG2 VAL 5 -4.846 -1.978 -5.983
31 2HG2 VAL 5 2HG2 VAL 5 -5.679 -1.280 -4.573
32 3HG2 VAL 5 3HG2 VAL 5 -4.697 -0.239 -5.615
33 H CYS 6 HN LAS 6 -2.377 -1.671 -1.849
34 HA CYS 6 HA LAS 6 -1.157 -2.093 0.037
35 1HB CYS 6 1HB LAS 6 -3.639 -3.199 0.078
36 2HB CYS 6 2HB LAS 6 -2.634 -4.480 0.741
37 1HN ABA 7 HN MLA 7 0.361 -2.764 0.759
38 HA ABA 7 HA MLA 7 1.102 -5.382 1.483
39 1HB ABA 7 HB MLA 7 2.665 -3.984 3.017
40 1HG ABA 7 1HG2 MLA 7 0.252 -4.440 3.612
41 2HG ABA 7 2HG2 MLA 7 -0.228 -2.957 2.796
42 3HG ABA 7 3HG2 MLA 7 0.815 -2.864 4.228
43 H LEU 8 H LEU 8 2.080 -4.860 -1.358
44 HA LEU 8 HA LEU 8 4.932 -5.921 -0.945
45 1HB LEU 8 1HB LEU 8 4.800 -7.232 -2.872
46 2HB LEU 8 2HB LEU 8 3.466 -7.668 -1.845
47 HG LEU 8 HG LEU 8 3.226 -5.972 -4.421
48 1HD1 LEU 8 3HD2 LEU 8 3.966 -8.307 -4.890
49 2HD1 LEU 8 1HD2 LEU 8 2.580 -8.954 -3.977
50 3HD1 LEU 8 2HD2 LEU 8 2.318 -8.031 -5.479
51 1HD2 LEU 8 1HD1 LEU 8 0.972 -7.168 -2.679
52 2HD2 LEU 8 2HD1 LEU 8 1.275 -5.441 -2.999
53 3HD2 LEU 8 3HD1 LEU 8 0.748 -6.493 -4.312
54 1HN ABA 9 HN MLA 9 4.844 -3.441 -0.649
55 HA ABA 9 HA MLA 9 6.564 -2.452 -2.867
56 1HB ABA 9 HB MLA 9 6.953 -0.495 -1.246
57 1HG ABA 9 1HG2 MLA 9 8.459 -2.526 -1.274
58 2HG ABA 9 2HG2 MLA 9 8.281 -1.831 0.362
59 3HG ABA 9 3HG2 MLA 9 7.405 -3.313 -0.076
60 H ILE 10 H ILE 10 3.172 -1.993 -2.429
61 HA ILE 10 HA ILE 10 3.183 0.631 -3.958
62 HB ILE 10 HB ILE 10 1.719 -1.835 -5.034
63 1HG1 ILE 10 1HG1 ILE 10 4.106 -2.106 -5.596
64 2HG1 ILE 10 2HG1 ILE 10 3.080 -1.934 -6.992
65 1HG2 ILE 10 2HG2 ILE 10 0.417 0.220 -5.469
66 2HG2 ILE 10 3HG2 ILE 10 1.826 1.017 -6.197
67 3HG2 ILE 10 1HG2 ILE 10 1.076 -0.393 -6.992
68 1HD1 ILE 10 2HD1 ILE 10 4.861 0.347 -5.899
69 2HD1 ILE 10 3HD1 ILE 10 5.248 -0.715 -7.270
70 3HD1 ILE 10 1HD1 ILE 10 3.878 0.412 -7.380
71 H GLU 11 H GLU 11 2.084 1.651 -2.463
72 HA GLU 11 HA GLU 11 0.259 2.532 -1.267
73 1HB GLU 11 1HB GLU 11 -0.871 2.671 -3.382
74 2HB GLU 11 2HB GLU 11 -1.150 0.953 -3.402
75 1HG GLU 11 1HG GLU 11 -3.174 2.340 -3.130
76 2HG GLU 11 2HG GLU 11 -3.013 1.221 -1.803
77 HE1 GLU 11 HE2 GLU 11 -2.790 5.234 -1.270
78 H CYS 12 HN LAS 12 1.450 1.048 0.331
79 HA CYS 12 HA LAS 12 -0.253 -0.996 1.765
80 1HB CYS 12 2HB LAS 12 2.433 0.309 2.466
81 2HB CYS 12 1HB LAS 12 1.615 -0.741 3.620
82 H GLY 13 H GLY 13 0.386 2.452 1.945
83 1HA GLY 13 1HA GLY 13 -1.821 2.822 3.972
84 2HA GLY 13 2HA GLY 13 -0.228 3.109 4.649
85 1HN ABA 14 HN MLA 14 0.771 4.501 2.156
86 HA ABA 14 HA MLA 14 -0.216 7.139 3.213
87 1HB ABA 14 HB MLA 14 -0.517 8.347 1.332
88 1HG ABA 14 1HG2 MLA 14 -2.474 6.827 1.493
89 2HG ABA 14 2HG2 MLA 14 -2.145 7.307 -0.196
90 3HG ABA 14 3HG2 MLA 14 -1.691 5.685 0.374
91 H VAL 15 H VAL 15 2.197 5.365 3.566
92 HA VAL 15 HA VAL 15 4.368 7.448 3.083
93 HB VAL 15 HB VAL 15 3.719 6.337 5.874
94 1HG1 VAL 15 2HG1 VAL 15 5.918 8.357 5.069
95 2HG1 VAL 15 1HG1 VAL 15 5.484 7.906 6.739
96 3HG1 VAL 15 3HG1 VAL 15 6.182 6.698 5.656
97 1HG2 VAL 15 3HG2 VAL 15 3.388 9.234 4.844
98 2HG2 VAL 15 1HG2 VAL 15 2.074 8.127 5.306
99 3HG2 VAL 15 2HG2 VAL 15 3.197 8.711 6.537
100 H ILE 16 H ILE 16 3.766 4.159 4.245
101 HA ILE 16 HA ILE 16 6.647 3.581 4.544
102 HB ILE 16 HB ILE 16 4.137 1.879 4.894
103 1HG1 ILE 16 1HG1 ILE 16 4.395 3.563 6.616
104 2HG1 ILE 16 2HG1 ILE 16 4.561 1.956 7.269
105 1HG2 ILE 16 2HG2 ILE 16 6.962 0.811 5.421
106 2HG2 ILE 16 3HG2 ILE 16 5.438 0.060 5.970
107 3HG2 ILE 16 1HG2 ILE 16 5.777 0.195 4.244
108 1HD1 ILE 16 1HD1 ILE 16 7.098 2.273 7.395
109 2HD1 ILE 16 2HD1 ILE 16 6.890 3.936 6.782
110 3HD1 ILE 16 3HD1 ILE 16 6.186 3.468 8.343
111 H CYS 17 HN LAS 17 4.329 2.043 2.299
112 HA CYS 17 HA LAS 17 6.597 1.166 0.420
113 1HB CYS 17 2HB LAS 17 3.719 0.329 0.870
114 2HB CYS 17 1HB LAS 17 4.209 0.328 -0.768
115 H ALA 18 H ALA 18 5.456 1.476 -1.945
116 HA ALA 18 HA ALA 18 5.214 4.520 -2.488
117 1HB ALA 18 1HB ALA 18 6.637 3.147 -4.072
118 2HB ALA 18 2HB ALA 18 5.192 2.208 -4.531
119 3HB ALA 18 3HB ALA 18 5.272 3.949 -4.873
120 1HN CSX 19 HN LAS 19 3.452 3.859 -0.889
121 HA CSX 19 HA LAS 19 2.468 5.913 -2.637
122 1HB CSX 19 1HB LAS 19 0.114 5.249 -1.471
123 2HB CSX 19 2HB LAS 19 0.996 5.007 0.017
124 HXT CSX 19 HO LAS 19 4.736 7.778 -1.065
No H/Q in entry = 124
Start of MODEL 12
1 1HN DAL 1 1HN LAN 1 -6.298 -2.069 3.603
2 2HN DAL 1 2HN LAN 1 -5.115 -1.092 4.165
3 HA DAL 1 HA LAN 1 -5.377 -2.077 1.397
4 1HB DAL 1 1HB LAN 1 -3.277 -0.188 2.643
5 2HB DAL 1 2HB LAN 1 -3.451 -0.510 0.918
6 H SER 2 H SER 2 -5.224 0.049 -0.004
7 HA SER 2 HA SER 2 -7.812 1.591 0.610
8 1HB SER 2 1HB SER 2 -5.867 1.923 -1.750
9 2HB SER 2 2HB SER 2 -7.391 2.788 -1.542
10 HG SER 2 HG SER 2 -6.591 3.587 0.440
11 H GLY 3 H GLY 3 -8.407 -0.711 0.728
12 1HA GLY 3 1HA GLY 3 -10.103 -2.322 -0.268
13 2HA GLY 3 2HA GLY 3 -9.474 -1.977 -1.870
14 H TRP 4 H TRP 4 -7.758 -3.488 -2.546
15 HA TRP 4 HA TRP 4 -5.579 -3.848 -0.656
16 1HB TRP 4 1HB TRP 4 -6.724 -6.346 -1.817
17 2HB TRP 4 2HB TRP 4 -5.088 -6.278 -1.229
18 HD1 TRP 4 HD1 TRP 4 -4.712 -5.720 1.504
19 HE1 TRP 4 HE1 TRP 4 -6.095 -6.390 3.640
20 HE3 TRP 4 HE3 TRP 4 -9.044 -6.805 -0.961
21 HZ2 TRP 4 HZ2 TRP 4 -8.826 -7.257 4.021
22 HZ3 TRP 4 HZ3 TRP 4 -11.023 -7.509 0.344
23 HH2 TRP 4 HH2 TRP 4 -10.912 -7.730 2.793
24 H VAL 5 H VAL 5 -5.215 -2.330 -2.124
25 HA VAL 5 HA VAL 5 -3.622 -3.180 -4.595
26 HB VAL 5 HB VAL 5 -3.645 -0.343 -3.432
27 1HG1 VAL 5 2HG2 VAL 5 -1.457 -0.897 -4.543
28 2HG1 VAL 5 3HG2 VAL 5 -2.319 -1.417 -6.007
29 3HG1 VAL 5 1HG2 VAL 5 -2.385 0.284 -5.476
30 1HG2 VAL 5 3HG1 VAL 5 -4.984 -1.433 -5.989
31 2HG2 VAL 5 1HG1 VAL 5 -5.824 -0.853 -4.530
32 3HG2 VAL 5 2HG1 VAL 5 -4.878 0.280 -5.506
33 H CYS 6 HN LAS 6 -2.480 -1.356 -1.860
34 HA CYS 6 HA LAS 6 -1.187 -1.902 -0.045
35 1HB CYS 6 1HB LAS 6 -3.701 -2.970 0.008
36 2HB CYS 6 2HB LAS 6 -2.707 -4.296 0.577
37 1HN ABA 7 HN MLA 7 0.326 -2.653 0.606
38 HA ABA 7 HA MLA 7 0.948 -5.313 1.245
39 1HB ABA 7 HB MLA 7 2.613 -4.006 2.792
40 1HG ABA 7 1HG2 MLA 7 0.205 -4.448 3.419
41 2HG ABA 7 2HG2 MLA 7 -0.261 -2.928 2.664
42 3HG ABA 7 3HG2 MLA 7 0.810 -2.906 4.077
43 H LEU 8 H LEU 8 2.053 -4.608 -1.585
44 HA LEU 8 HA LEU 8 4.931 -5.644 -1.139
45 1HB LEU 8 1HB LEU 8 3.142 -6.467 -3.494
46 2HB LEU 8 2HB LEU 8 4.833 -6.868 -3.305
47 HG LEU 8 HG LEU 8 2.617 -7.826 -1.393
48 1HD1 LEU 8 2HD1 LEU 8 2.348 -8.802 -3.675
49 2HD1 LEU 8 3HD1 LEU 8 4.038 -9.364 -3.662
50 3HD1 LEU 8 1HD1 LEU 8 2.856 -10.041 -2.513
51 1HD2 LEU 8 2HD2 LEU 8 5.584 -8.695 -1.559
52 2HD2 LEU 8 3HD2 LEU 8 4.833 -7.780 -0.228
53 3HD2 LEU 8 1HD2 LEU 8 4.338 -9.452 -0.536
54 1HN ABA 9 HN MLA 9 4.857 -3.258 -0.887
55 HA ABA 9 HA MLA 9 6.412 -2.258 -3.203
56 1HB ABA 9 HB MLA 9 6.868 -0.281 -1.567
57 1HG ABA 9 1HG2 MLA 9 8.446 -2.229 -1.805
58 2HG ABA 9 2HG2 MLA 9 8.367 -1.627 -0.128
59 3HG ABA 9 3HG2 MLA 9 7.522 -3.125 -0.574
60 H ILE 10 H ILE 10 3.066 -1.692 -2.490
61 HA ILE 10 HA ILE 10 3.032 0.977 -3.909
62 HB ILE 10 HB ILE 10 1.302 -1.287 -5.097
63 1HG1 ILE 10 1HG1 ILE 10 4.015 -0.670 -6.421
64 2HG1 ILE 10 2HG1 ILE 10 3.629 -2.136 -5.538
65 1HG2 ILE 10 2HG2 ILE 10 0.696 1.145 -5.496
66 2HG2 ILE 10 3HG2 ILE 10 2.256 1.395 -6.313
67 3HG2 ILE 10 1HG2 ILE 10 1.034 0.300 -7.006
68 1HD1 ILE 10 3HD1 ILE 10 1.785 -2.686 -7.155
69 2HD1 ILE 10 1HD1 ILE 10 2.260 -1.273 -8.137
70 3HD1 ILE 10 2HD1 ILE 10 3.406 -2.604 -7.885
71 H GLU 11 H GLU 11 2.022 1.935 -2.345
72 HA GLU 11 HA GLU 11 0.236 2.786 -1.067
73 1HB GLU 11 1HB GLU 11 -0.911 3.063 -3.154
74 2HB GLU 11 2HB GLU 11 -1.275 1.359 -3.242
75 1HG GLU 11 1HG GLU 11 -3.074 1.661 -1.525
76 2HG GLU 11 2HG GLU 11 -2.471 3.266 -1.114
77 HE2 GLU 11 HE2 GLU 11 -4.192 4.861 -3.610
78 H CYS 12 HN LAS 12 1.441 1.169 0.394
79 HA CYS 12 HA LAS 12 -0.275 -0.902 1.766
80 1HB CYS 12 2HB LAS 12 2.479 0.285 2.444
81 2HB CYS 12 1HB LAS 12 1.661 -0.805 3.561
82 H GLY 13 H GLY 13 0.494 2.510 2.118
83 1HA GLY 13 1HA GLY 13 -1.580 2.824 4.303
84 2HA GLY 13 2HA GLY 13 0.067 3.077 4.855
85 1HN ABA 14 HN MLA 14 0.935 4.539 2.398
86 HA ABA 14 HA MLA 14 -0.020 7.151 3.546
87 1HB ABA 14 HB MLA 14 -0.387 8.400 1.713
88 1HG ABA 14 1HG2 MLA 14 -2.321 6.844 1.861
89 2HG ABA 14 2HG2 MLA 14 -2.038 7.407 0.191
90 3HG ABA 14 3HG2 MLA 14 -1.556 5.763 0.670
91 H VAL 15 H VAL 15 2.392 5.367 3.798
92 HA VAL 15 HA VAL 15 4.563 7.441 3.288
93 HB VAL 15 HB VAL 15 4.012 6.260 6.073
94 1HG1 VAL 15 2HG1 VAL 15 6.182 8.300 5.238
95 2HG1 VAL 15 1HG1 VAL 15 5.811 7.805 6.911
96 3HG1 VAL 15 3HG1 VAL 15 6.465 6.626 5.770
97 1HG2 VAL 15 3HG2 VAL 15 3.649 9.185 5.134
98 2HG2 VAL 15 1HG2 VAL 15 2.351 8.067 5.616
99 3HG2 VAL 15 2HG2 VAL 15 3.521 8.616 6.819
100 H ILE 16 H ILE 16 3.942 4.111 4.303
101 HA ILE 16 HA ILE 16 6.818 3.461 4.540
102 HB ILE 16 HB ILE 16 4.262 1.821 4.851
103 1HG1 ILE 16 1HG1 ILE 16 6.429 2.502 6.934
104 2HG1 ILE 16 2HG1 ILE 16 5.074 3.562 6.611
105 1HG2 ILE 16 1HG2 ILE 16 5.881 0.142 3.998
106 2HG2 ILE 16 2HG2 ILE 16 7.086 0.634 5.213
107 3HG2 ILE 16 3HG2 ILE 16 5.555 -0.139 5.701
108 1HD1 ILE 16 1HD1 ILE 16 3.433 1.752 7.261
109 2HD1 ILE 16 2HD1 ILE 16 4.803 0.697 7.703
110 3HD1 ILE 16 3HD1 ILE 16 4.539 2.223 8.573
111 H CYS 17 HN LAS 17 4.433 2.078 2.257
112 HA CYS 17 HA LAS 17 6.652 1.232 0.309
113 1HB CYS 17 2HB LAS 17 3.837 0.340 0.883
114 2HB CYS 17 1HB LAS 17 4.171 0.456 -0.798
115 H ALA 18 H ALA 18 5.382 1.588 -2.012
116 HA ALA 18 HA ALA 18 5.236 4.653 -2.491
117 1HB ALA 18 1HB ALA 18 6.516 3.242 -4.178
118 2HB ALA 18 2HB ALA 18 4.996 2.408 -4.597
119 3HB ALA 18 3HB ALA 18 5.167 4.151 -4.884
120 1HN CSX 19 HN LAS 19 3.515 3.963 -0.809
121 HA CSX 19 HA LAS 19 2.554 6.168 -2.381
122 1HB CSX 19 1HB LAS 19 0.200 5.443 -1.238
123 2HB CSX 19 2HB LAS 19 1.097 5.118 0.229
124 HXT CSX 19 HO LAS 19 4.850 7.877 -0.676
No H/Q in entry = 124
Start of MODEL 13
1 1HN DAL 1 1HN LAN 1 -4.530 -2.558 4.032
2 2HN DAL 1 2HN LAN 1 -6.089 -2.066 4.009
3 HA DAL 1 HA LAN 1 -5.240 -2.217 1.807
4 1HB DAL 1 1HB LAN 1 -3.125 -0.207 2.826
5 2HB DAL 1 2HB LAN 1 -3.361 -0.652 1.135
6 H SER 2 H SER 2 -5.141 -0.239 0.204
7 HA SER 2 HA SER 2 -7.706 1.368 0.720
8 1HB SER 2 1HB SER 2 -5.827 2.637 -0.350
9 2HB SER 2 2HB SER 2 -5.786 1.476 -1.685
10 HG SER 2 HG SER 2 -8.009 3.050 -0.873
11 H GLY 3 H GLY 3 -8.319 -0.910 1.035
12 1HA GLY 3 1HA GLY 3 -10.007 -2.614 0.204
13 2HA GLY 3 2HA GLY 3 -9.404 -2.402 -1.431
14 H TRP 4 H TRP 4 -7.701 -3.970 -2.001
15 HA TRP 4 HA TRP 4 -5.473 -4.145 -0.127
16 1HB TRP 4 1HB TRP 4 -6.644 -6.736 -1.033
17 2HB TRP 4 2HB TRP 4 -4.997 -6.621 -0.484
18 HD1 TRP 4 HD1 TRP 4 -4.572 -5.801 2.179
19 HE1 TRP 4 HE1 TRP 4 -5.912 -6.275 4.393
20 HE3 TRP 4 HE3 TRP 4 -8.941 -7.130 -0.095
21 HZ2 TRP 4 HZ2 TRP 4 -8.630 -7.115 4.903
22 HZ3 TRP 4 HZ3 TRP 4 -10.891 -7.717 1.306
23 HH2 TRP 4 HH2 TRP 4 -10.735 -7.709 3.763
24 H VAL 5 H VAL 5 -5.176 -2.747 -1.775
25 HA VAL 5 HA VAL 5 -3.622 -3.845 -4.165
26 HB VAL 5 HB VAL 5 -3.661 -0.905 -3.357
27 1HG1 VAL 5 1HG1 VAL 5 -1.518 -1.568 -4.502
28 2HG1 VAL 5 2HG1 VAL 5 -2.440 -2.295 -5.838
29 3HG1 VAL 5 3HG1 VAL 5 -2.507 -0.539 -5.549
30 1HG2 VAL 5 2HG2 VAL 5 -5.104 -2.289 -5.703
31 2HG2 VAL 5 3HG2 VAL 5 -5.882 -1.552 -4.281
32 3HG2 VAL 5 1HG2 VAL 5 -4.995 -0.531 -5.423
33 H CYS 6 HN LAS 6 -2.435 -1.682 -1.679
34 HA CYS 6 HA LAS 6 -1.094 -2.027 0.160
35 1HB CYS 6 1HB LAS 6 -3.603 -3.116 0.366
36 2HB CYS 6 2HB LAS 6 -2.591 -4.411 0.990
37 1HN ABA 7 HN MLA 7 0.413 -2.758 0.937
38 HA ABA 7 HA MLA 7 1.151 -5.432 1.563
39 1HB ABA 7 HB MLA 7 2.798 -4.089 3.081
40 1HG ABA 7 1HG2 MLA 7 0.400 -4.587 3.755
41 2HG ABA 7 2HG2 MLA 7 -0.105 -3.062 3.034
42 3HG ABA 7 3HG2 MLA 7 1.000 -3.048 4.422
43 H LEU 8 H LEU 8 2.013 -4.793 -1.290
44 HA LEU 8 HA LEU 8 4.882 -5.878 -1.061
45 1HB LEU 8 1HB LEU 8 4.528 -6.924 -3.316
46 2HB LEU 8 2HB LEU 8 3.688 -7.634 -1.970
47 HG LEU 8 HG LEU 8 1.511 -6.698 -2.702
48 1HD1 LEU 8 1HD2 LEU 8 2.967 -5.578 -5.186
49 2HD1 LEU 8 2HD2 LEU 8 1.201 -5.672 -4.966
50 3HD1 LEU 8 3HD2 LEU 8 2.161 -4.622 -3.915
51 1HD2 LEU 8 2HD1 LEU 8 2.228 -8.965 -3.459
52 2HD2 LEU 8 3HD1 LEU 8 1.206 -8.181 -4.678
53 3HD2 LEU 8 1HD1 LEU 8 2.969 -8.268 -4.921
54 1HN ABA 9 HN MLA 9 4.777 -3.391 -0.658
55 HA ABA 9 HA MLA 9 6.414 -2.329 -2.903
56 1HB ABA 9 HB MLA 9 6.859 -0.419 -1.249
57 1HG ABA 9 1HG2 MLA 9 8.363 -2.448 -1.387
58 2HG ABA 9 2HG2 MLA 9 8.248 -1.797 0.273
59 3HG ABA 9 3HG2 MLA 9 7.355 -3.267 -0.171
60 H ILE 10 H ILE 10 3.037 -1.874 -2.288
61 HA ILE 10 HA ILE 10 2.995 0.763 -3.803
62 HB ILE 10 HB ILE 10 1.422 -1.672 -4.774
63 1HG1 ILE 10 1HG1 ILE 10 3.760 -1.981 -5.497
64 2HG1 ILE 10 2HG1 ILE 10 2.653 -1.780 -6.825
65 1HG2 ILE 10 1HG2 ILE 10 0.121 0.394 -5.126
66 2HG2 ILE 10 2HG2 ILE 10 1.490 1.180 -5.936
67 3HG2 ILE 10 3HG2 ILE 10 0.677 -0.218 -6.690
68 1HD1 ILE 10 1HD1 ILE 10 4.532 0.466 -5.823
69 2HD1 ILE 10 2HD1 ILE 10 4.823 -0.591 -7.222
70 3HD1 ILE 10 3HD1 ILE 10 3.466 0.555 -7.244
71 H GLU 11 H GLU 11 2.047 1.801 -2.210
72 HA GLU 11 HA GLU 11 0.528 2.592 -0.679
73 1HB GLU 11 1HB GLU 11 -1.586 3.049 -1.470
74 2HB GLU 11 2HB GLU 11 -0.587 2.977 -2.909
75 1HG GLU 11 1HG GLU 11 -1.463 0.626 -3.365
76 2HG GLU 11 2HG GLU 11 -2.596 0.826 -2.034
77 HE2 GLU 11 HE2 GLU 11 -3.134 2.645 -5.584
78 H CYS 12 HN LAS 12 1.570 0.808 0.558
79 HA CYS 12 HA LAS 12 -0.244 -1.012 2.098
80 1HB CYS 12 2HB LAS 12 2.551 0.160 2.731
81 2HB CYS 12 1HB LAS 12 1.718 -0.928 3.842
82 H GLY 13 H GLY 13 0.627 2.365 2.214
83 1HA GLY 13 1HA GLY 13 -1.128 2.838 4.690
84 2HA GLY 13 2HA GLY 13 0.574 3.218 4.857
85 1HN ABA 14 HN MLA 14 1.090 4.546 2.431
86 HA ABA 14 HA MLA 14 0.032 7.136 3.450
87 1HB ABA 14 HB MLA 14 -0.551 8.273 1.598
88 1HG ABA 14 1HG2 MLA 14 -2.358 6.589 1.897
89 2HG ABA 14 2HG2 MLA 14 -2.193 7.093 0.189
90 3HG ABA 14 3HG2 MLA 14 -1.567 5.514 0.717
91 H VAL 15 H VAL 15 2.435 5.600 3.846
92 HA VAL 15 HA VAL 15 4.609 7.363 2.708
93 HB VAL 15 HB VAL 15 3.527 8.319 4.807
94 1HG1 VAL 15 1HG2 VAL 15 3.316 6.255 6.220
95 2HG1 VAL 15 2HG2 VAL 15 5.086 6.209 6.407
96 3HG1 VAL 15 3HG2 VAL 15 4.154 7.580 7.052
97 1HG2 VAL 15 3HG1 VAL 15 5.738 9.125 3.973
98 2HG2 VAL 15 2HG1 VAL 15 5.639 9.211 5.742
99 3HG2 VAL 15 1HG1 VAL 15 6.576 7.909 4.968
100 H ILE 16 H ILE 16 3.937 4.271 4.201
101 HA ILE 16 HA ILE 16 6.804 3.554 4.618
102 HB ILE 16 HB ILE 16 4.190 2.023 5.013
103 1HG1 ILE 16 1HG1 ILE 16 6.356 2.795 7.060
104 2HG1 ILE 16 2HG1 ILE 16 5.017 3.847 6.654
105 1HG2 ILE 16 1HG2 ILE 16 5.785 0.247 4.286
106 2HG2 ILE 16 2HG2 ILE 16 6.986 0.795 5.479
107 3HG2 ILE 16 3HG2 ILE 16 5.436 0.087 6.000
108 1HD1 ILE 16 3HD1 ILE 16 3.347 2.112 7.413
109 2HD1 ILE 16 1HD1 ILE 16 4.698 1.071 7.939
110 3HD1 ILE 16 2HD1 ILE 16 4.449 2.657 8.699
111 H CYS 17 HN LAS 17 4.395 2.020 2.431
112 HA CYS 17 HA LAS 17 6.578 1.196 0.454
113 1HB CYS 17 2HB LAS 17 3.724 0.350 1.040
114 2HB CYS 17 1HB LAS 17 4.119 0.383 -0.627
115 H ALA 18 H ALA 18 5.350 1.534 -1.850
116 HA ALA 18 HA ALA 18 5.165 4.590 -2.348
117 1HB ALA 18 1HB ALA 18 6.582 3.224 -3.945
118 2HB ALA 18 2HB ALA 18 5.126 2.322 -4.441
119 3HB ALA 18 3HB ALA 18 5.240 4.068 -4.741
120 1HN CSX 19 HN LAS 19 3.363 3.874 -0.774
121 HA CSX 19 HA LAS 19 2.463 6.038 -2.421
122 1HB CSX 19 1HB LAS 19 0.056 5.318 -1.389
123 2HB CSX 19 2HB LAS 19 0.879 5.003 0.119
124 HXT CSX 19 HO LAS 19 4.153 6.103 1.293
No H/Q in entry = 124
Start of MODEL 14
1 1HN DAL 1 1HN LAN 1 -5.155 -1.163 3.984
2 2HN DAL 1 2HN LAN 1 -4.769 -2.660 3.452
3 HA DAL 1 HA LAN 1 -5.416 -2.147 1.215
4 1HB DAL 1 1HB LAN 1 -3.350 -0.245 2.498
5 2HB DAL 1 2HB LAN 1 -3.489 -0.570 0.770
6 H SER 2 H SER 2 -5.240 -0.025 -0.194
7 HA SER 2 HA SER 2 -7.854 1.497 0.347
8 1HB SER 2 1HB SER 2 -5.847 1.842 -1.961
9 2HB SER 2 2HB SER 2 -7.387 2.690 -1.799
10 HG SER 2 HG SER 2 -6.653 3.505 0.202
11 H GLY 3 H GLY 3 -8.433 -0.809 0.457
12 1HA GLY 3 1HA GLY 3 -10.089 -2.436 -0.575
13 2HA GLY 3 2HA GLY 3 -9.431 -2.085 -2.164
14 H TRP 4 H TRP 4 -7.687 -3.576 -2.808
15 HA TRP 4 HA TRP 4 -5.549 -3.935 -0.868
16 1HB TRP 4 1HB TRP 4 -6.650 -6.430 -2.075
17 2HB TRP 4 2HB TRP 4 -5.030 -6.357 -1.447
18 HD1 TRP 4 HD1 TRP 4 -4.724 -5.824 1.298
19 HE1 TRP 4 HE1 TRP 4 -6.154 -6.518 3.394
20 HE3 TRP 4 HE3 TRP 4 -8.990 -6.904 -1.280
21 HZ2 TRP 4 HZ2 TRP 4 -8.889 -7.401 3.702
22 HZ3 TRP 4 HZ3 TRP 4 -10.995 -7.630 -0.029
23 HH2 TRP 4 HH2 TRP 4 -10.942 -7.873 2.420
24 H VAL 5 H VAL 5 -5.163 -2.403 -2.315
25 HA VAL 5 HA VAL 5 -3.504 -3.221 -4.754
26 HB VAL 5 HB VAL 5 -3.585 -0.392 -3.576
27 1HG1 VAL 5 2HG2 VAL 5 -1.364 -0.915 -4.631
28 2HG1 VAL 5 3HG2 VAL 5 -2.180 -1.436 -6.120
29 3HG1 VAL 5 1HG2 VAL 5 -2.279 0.261 -5.582
30 1HG2 VAL 5 3HG1 VAL 5 -4.845 -1.481 -6.173
31 2HG2 VAL 5 1HG1 VAL 5 -5.729 -0.919 -4.734
32 3HG2 VAL 5 2HG1 VAL 5 -4.770 0.230 -5.678
33 H CYS 6 HN LAS 6 -2.442 -1.403 -1.983
34 HA CYS 6 HA LAS 6 -1.196 -1.952 -0.137
35 1HB CYS 6 1HB LAS 6 -3.708 -3.024 -0.148
36 2HB CYS 6 2HB LAS 6 -2.725 -4.350 0.442
37 1HN ABA 7 HN MLA 7 0.297 -2.704 0.563
38 HA ABA 7 HA MLA 7 0.934 -5.373 1.173
39 1HB ABA 7 HB MLA 7 2.554 -4.080 2.774
40 1HG ABA 7 1HG2 MLA 7 0.719 -2.993 4.033
41 2HG ABA 7 2HG2 MLA 7 0.135 -4.533 3.349
42 3HG ABA 7 3HG2 MLA 7 -0.324 -3.010 2.598
43 H LEU 8 H LEU 8 2.061 -4.603 -1.631
44 HA LEU 8 HA LEU 8 4.915 -5.689 -1.177
45 1HB LEU 8 1HB LEU 8 3.132 -6.488 -3.558
46 2HB LEU 8 2HB LEU 8 4.821 -6.850 -3.367
47 HG LEU 8 HG LEU 8 3.672 -8.821 -2.955
48 1HD1 LEU 8 2HD1 LEU 8 5.626 -8.464 -1.433
49 2HD1 LEU 8 3HD1 LEU 8 4.535 -7.866 -0.158
50 3HD1 LEU 8 1HD1 LEU 8 4.414 -9.550 -0.721
51 1HD2 LEU 8 2HD2 LEU 8 1.390 -7.928 -2.398
52 2HD2 LEU 8 3HD2 LEU 8 1.894 -9.280 -1.365
53 3HD2 LEU 8 1HD2 LEU 8 1.925 -7.625 -0.727
54 1HN ABA 9 HN MLA 9 4.763 -3.241 -0.925
55 HA ABA 9 HA MLA 9 6.421 -2.272 -3.199
56 1HB ABA 9 HB MLA 9 6.855 -0.315 -1.518
57 1HG ABA 9 1HG2 MLA 9 8.438 -2.253 -1.782
58 2HG ABA 9 2HG2 MLA 9 8.333 -1.694 -0.091
59 3HG ABA 9 3HG2 MLA 9 7.497 -3.182 -0.588
60 H ILE 10 H ILE 10 3.063 -1.711 -2.668
61 HA ILE 10 HA ILE 10 3.147 1.052 -3.836
62 HB ILE 10 HB ILE 10 1.464 -1.069 -5.330
63 1HG1 ILE 10 1HG1 ILE 10 2.916 -0.462 -7.432
64 2HG1 ILE 10 2HG1 ILE 10 4.165 0.046 -6.319
65 1HG2 ILE 10 2HG2 ILE 10 0.528 1.258 -5.342
66 2HG2 ILE 10 3HG2 ILE 10 2.047 1.887 -6.021
67 3HG2 ILE 10 1HG2 ILE 10 1.021 0.775 -6.965
68 1HD1 ILE 10 3HD1 ILE 10 2.886 -2.783 -6.442
69 2HD1 ILE 10 1HD1 ILE 10 4.408 -2.303 -7.228
70 3HD1 ILE 10 2HD1 ILE 10 4.306 -2.333 -5.464
71 H GLU 11 H GLU 11 2.066 1.940 -2.312
72 HA GLU 11 HA GLU 11 0.246 2.747 -1.048
73 1HB GLU 11 1HB GLU 11 -0.850 3.075 -3.155
74 2HB GLU 11 2HB GLU 11 -1.216 1.376 -3.288
75 1HG GLU 11 1HG GLU 11 -3.056 1.643 -1.612
76 2HG GLU 11 2HG GLU 11 -2.434 3.216 -1.117
77 HE1 GLU 11 HE2 GLU 11 -4.539 2.747 -4.566
78 H CYS 12 HN LAS 12 1.425 1.100 0.392
79 HA CYS 12 HA LAS 12 -0.319 -0.981 1.708
80 1HB CYS 12 2HB LAS 12 2.417 0.214 2.447
81 2HB CYS 12 1HB LAS 12 1.580 -0.880 3.549
82 H GLY 13 H GLY 13 0.433 2.433 2.100
83 1HA GLY 13 1HA GLY 13 -1.701 2.739 4.217
84 2HA GLY 13 2HA GLY 13 -0.075 2.966 4.839
85 1HN ABA 14 HN MLA 14 0.859 4.442 2.374
86 HA ABA 14 HA MLA 14 -0.060 7.060 3.530
87 1HB ABA 14 HB MLA 14 -0.490 8.306 1.717
88 1HG ABA 14 1HG2 MLA 14 -2.401 6.716 1.831
89 2HG ABA 14 2HG2 MLA 14 -2.116 7.302 0.168
90 3HG ABA 14 3HG2 MLA 14 -1.609 5.662 0.631
91 H VAL 15 H VAL 15 2.348 5.267 3.737
92 HA VAL 15 HA VAL 15 4.530 7.300 3.146
93 HB VAL 15 HB VAL 15 3.996 6.252 5.988
94 1HG1 VAL 15 2HG1 VAL 15 6.184 8.221 5.039
95 2HG1 VAL 15 1HG1 VAL 15 5.829 7.805 6.736
96 3HG1 VAL 15 3HG1 VAL 15 6.450 6.568 5.639
97 1HG2 VAL 15 3HG2 VAL 15 3.659 9.138 4.929
98 2HG2 VAL 15 1HG2 VAL 15 2.355 8.061 5.480
99 3HG2 VAL 15 2HG2 VAL 15 3.552 8.645 6.639
100 H ILE 16 H ILE 16 3.878 4.038 4.353
101 HA ILE 16 HA ILE 16 6.733 3.346 4.599
102 HB ILE 16 HB ILE 16 4.168 1.714 4.894
103 1HG1 ILE 16 1HG1 ILE 16 4.494 3.318 6.682
104 2HG1 ILE 16 2HG1 ILE 16 4.603 1.681 7.268
105 1HG2 ILE 16 2HG2 ILE 16 6.957 0.526 5.361
106 2HG2 ILE 16 3HG2 ILE 16 5.411 -0.192 5.889
107 3HG2 ILE 16 1HG2 ILE 16 5.745 0.001 4.169
108 1HD1 ILE 16 2HD1 ILE 16 7.150 1.897 7.395
109 2HD1 ILE 16 3HD1 ILE 16 7.003 3.590 6.850
110 3HD1 ILE 16 1HD1 ILE 16 6.287 3.087 8.394
111 H CYS 17 HN LAS 17 4.352 1.991 2.312
112 HA CYS 17 HA LAS 17 6.585 1.169 0.359
113 1HB CYS 17 2HB LAS 17 3.765 0.233 0.875
114 2HB CYS 17 1HB LAS 17 4.144 0.379 -0.796
115 H ALA 18 H ALA 18 5.359 1.585 -1.954
116 HA ALA 18 HA ALA 18 5.231 4.657 -2.321
117 1HB ALA 18 2HB ALA 18 6.600 3.310 -3.984
118 2HB ALA 18 3HB ALA 18 5.109 2.488 -4.517
119 3HB ALA 18 1HB ALA 18 5.291 4.241 -4.737
120 1HN CSX 19 HN LAS 19 3.382 3.865 -0.775
121 HA CSX 19 HA LAS 19 2.608 6.194 -2.246
122 1HB CSX 19 1HB LAS 19 0.141 5.454 -1.357
123 2HB CSX 19 2HB LAS 19 0.909 5.040 0.160
124 HXT CSX 19 HO LAS 19 4.137 5.879 1.526
No H/Q in entry = 124
Start of MODEL 15
1 1HN DAL 1 1HN LAN 1 -4.791 -2.119 4.044
2 2HN DAL 1 2HN LAN 1 -6.306 -1.505 4.068
3 HA DAL 1 HA LAN 1 -5.538 -1.719 1.839
4 1HB DAL 1 1HB LAN 1 -3.239 0.107 2.805
5 2HB DAL 1 2HB LAN 1 -3.555 -0.305 1.119
6 H SER 2 H SER 2 -5.303 0.296 0.245
7 HA SER 2 HA SER 2 -7.718 2.091 0.848
8 1HB SER 2 1HB SER 2 -5.750 3.246 -0.181
9 2HB SER 2 2HB SER 2 -5.802 2.137 -1.558
10 HG SER 2 HG SER 2 -6.911 4.074 -1.924
11 H GLY 3 H GLY 3 -8.525 -0.132 1.077
12 1HA GLY 3 1HA GLY 3 -10.389 -1.612 0.162
13 2HA GLY 3 2HA GLY 3 -9.709 -1.439 -1.448
14 H TRP 4 H TRP 4 -8.207 -3.223 -1.987
15 HA TRP 4 HA TRP 4 -6.037 -3.597 -0.053
16 1HB TRP 4 1HB TRP 4 -7.309 -6.083 -1.126
17 2HB TRP 4 2HB TRP 4 -5.770 -6.079 -0.325
18 HD1 TRP 4 HD1 TRP 4 -9.427 -6.543 0.444
19 HE1 TRP 4 HE1 TRP 4 -9.958 -6.626 3.020
20 HE3 TRP 4 HE3 TRP 4 -4.886 -4.840 1.998
21 HZ2 TRP 4 HZ2 TRP 4 -8.419 -5.934 5.368
22 HZ3 TRP 4 HZ3 TRP 4 -4.476 -4.530 4.416
23 HH2 TRP 4 HH2 TRP 4 -6.218 -5.069 6.072
24 H VAL 5 H VAL 5 -5.615 -2.183 -1.737
25 HA VAL 5 HA VAL 5 -4.203 -3.373 -4.163
26 HB VAL 5 HB VAL 5 -3.994 -0.447 -3.324
27 1HG1 VAL 5 2HG2 VAL 5 -1.952 -1.227 -4.558
28 2HG1 VAL 5 3HG2 VAL 5 -2.968 -1.885 -5.861
29 3HG1 VAL 5 1HG2 VAL 5 -2.916 -0.130 -5.557
30 1HG2 VAL 5 3HG1 VAL 5 -5.626 -1.700 -5.619
31 2HG2 VAL 5 1HG1 VAL 5 -6.292 -0.935 -4.156
32 3HG2 VAL 5 2HG1 VAL 5 -5.388 0.042 -5.322
33 H CYS 6 HN LAS 6 -2.761 -1.349 -1.704
34 HA CYS 6 HA LAS 6 -1.398 -1.838 0.088
35 1HB CYS 6 1HB LAS 6 -3.991 -2.740 0.332
36 2HB CYS 6 2HB LAS 6 -3.061 -4.104 0.917
37 1HN ABA 7 HN MLA 7 0.065 -2.702 0.775
38 HA ABA 7 HA MLA 7 0.483 -5.384 1.513
39 1HB ABA 7 HB MLA 7 2.371 -4.146 2.907
40 1HG ABA 7 1HG2 MLA 7 -0.040 -4.453 3.673
41 2HG ABA 7 2HG2 MLA 7 -0.457 -2.924 2.908
42 3HG ABA 7 3HG2 MLA 7 0.685 -2.939 4.266
43 H LEU 8 H LEU 8 1.906 -4.337 -1.281
44 HA LEU 8 HA LEU 8 4.643 -5.436 -0.739
45 1HB LEU 8 1HB LEU 8 3.436 -7.538 -1.516
46 2HB LEU 8 2HB LEU 8 3.098 -6.761 -3.048
47 HG LEU 8 HG LEU 8 5.622 -6.550 -3.439
48 1HD1 LEU 8 1HD2 LEU 8 5.847 -8.353 -0.933
49 2HD1 LEU 8 2HD2 LEU 8 7.164 -8.010 -2.082
50 3HD1 LEU 8 3HD2 LEU 8 6.493 -6.702 -1.098
51 1HD2 LEU 8 2HD1 LEU 8 4.273 -8.381 -4.468
52 2HD2 LEU 8 3HD1 LEU 8 5.905 -8.946 -4.067
53 3HD2 LEU 8 1HD1 LEU 8 4.528 -9.408 -3.035
54 1HN ABA 9 HN MLA 9 4.634 -3.153 -0.762
55 HA ABA 9 HA MLA 9 6.091 -2.351 -3.207
56 1HB ABA 9 HB MLA 9 6.620 -0.260 -1.681
57 1HG ABA 9 1HG2 MLA 9 8.219 -2.174 -1.968
58 2HG ABA 9 2HG2 MLA 9 8.220 -1.544 -0.300
59 3HG ABA 9 3HG2 MLA 9 7.384 -3.069 -0.671
60 H ILE 10 H ILE 10 2.824 -1.579 -2.356
61 HA ILE 10 HA ILE 10 2.796 1.014 -3.875
62 HB ILE 10 HB ILE 10 0.940 -1.224 -4.902
63 1HG1 ILE 10 1HG1 ILE 10 3.564 -0.691 -6.425
64 2HG1 ILE 10 2HG1 ILE 10 3.211 -2.131 -5.488
65 1HG2 ILE 10 2HG2 ILE 10 0.352 1.213 -5.313
66 2HG2 ILE 10 3HG2 ILE 10 1.857 1.414 -6.239
67 3HG2 ILE 10 1HG2 ILE 10 0.568 0.332 -6.824
68 1HD1 ILE 10 3HD1 ILE 10 1.248 -2.671 -6.963
69 2HD1 ILE 10 1HD1 ILE 10 1.683 -1.287 -8.004
70 3HD1 ILE 10 2HD1 ILE 10 2.816 -2.639 -7.804
71 H GLU 11 H GLU 11 1.881 2.059 -2.268
72 HA GLU 11 HA GLU 11 0.410 2.797 -0.687
73 1HB GLU 11 1HB GLU 11 -1.730 3.309 -1.448
74 2HB GLU 11 2HB GLU 11 -0.711 3.331 -2.876
75 1HG GLU 11 1HG GLU 11 -1.574 1.012 -3.497
76 2HG GLU 11 2HG GLU 11 -2.722 1.126 -2.166
77 HE2 GLU 11 HE2 GLU 11 -3.214 3.154 -5.612
78 H CYS 12 HN LAS 12 1.416 0.909 0.437
79 HA CYS 12 HA LAS 12 -0.452 -0.888 1.946
80 1HB CYS 12 2HB LAS 12 2.431 0.090 2.496
81 2HB CYS 12 1HB LAS 12 1.578 -0.940 3.640
82 H GLY 13 H GLY 13 0.618 2.431 2.178
83 1HA GLY 13 1HA GLY 13 -0.984 2.861 4.773
84 2HA GLY 13 2HA GLY 13 0.736 3.188 4.818
85 1HN ABA 14 HN MLA 14 1.154 4.614 2.461
86 HA ABA 14 HA MLA 14 0.165 7.168 3.690
87 1HB ABA 14 HB MLA 14 -0.293 8.451 1.892
88 1HG ABA 14 1HG2 MLA 14 -2.193 6.864 2.129
89 2HG ABA 14 2HG2 MLA 14 -2.010 7.444 0.450
90 3HG ABA 14 3HG2 MLA 14 -1.477 5.804 0.889
91 H VAL 15 H VAL 15 2.566 5.465 3.904
92 HA VAL 15 HA VAL 15 4.753 7.448 3.186
93 HB VAL 15 HB VAL 15 4.333 6.450 6.065
94 1HG1 VAL 15 2HG1 VAL 15 6.515 8.358 4.985
95 2HG1 VAL 15 1HG1 VAL 15 6.228 7.978 6.704
96 3HG1 VAL 15 3HG1 VAL 15 6.774 6.709 5.603
97 1HG2 VAL 15 3HG2 VAL 15 4.012 9.328 4.977
98 2HG2 VAL 15 1HG2 VAL 15 2.707 8.289 5.596
99 3HG2 VAL 15 2HG2 VAL 15 3.964 8.861 6.697
100 H ILE 16 H ILE 16 4.028 4.185 4.322
101 HA ILE 16 HA ILE 16 6.858 3.349 4.499
102 HB ILE 16 HB ILE 16 4.214 1.840 4.768
103 1HG1 ILE 16 1HG1 ILE 16 6.404 2.344 6.877
104 2HG1 ILE 16 2HG1 ILE 16 5.108 3.483 6.583
105 1HG2 ILE 16 1HG2 ILE 16 5.756 0.104 3.870
106 2HG2 ILE 16 2HG2 ILE 16 6.975 0.501 5.104
107 3HG2 ILE 16 3HG2 ILE 16 5.407 -0.210 5.562
108 1HD1 ILE 16 3HD1 ILE 16 3.371 1.743 7.169
109 2HD1 ILE 16 1HD1 ILE 16 4.681 0.604 7.583
110 3HD1 ILE 16 2HD1 ILE 16 4.493 2.113 8.500
111 H CYS 17 HN LAS 17 4.364 2.210 2.195
112 HA CYS 17 HA LAS 17 6.530 1.247 0.231
113 1HB CYS 17 2HB LAS 17 3.731 0.389 0.910
114 2HB CYS 17 1HB LAS 17 4.005 0.484 -0.788
115 H ALA 18 H ALA 18 5.180 1.585 -2.056
116 HA ALA 18 HA ALA 18 5.113 4.648 -2.586
117 1HB ALA 18 1HB ALA 18 6.292 3.168 -4.289
118 2HB ALA 18 2HB ALA 18 4.738 2.364 -4.635
119 3HB ALA 18 3HB ALA 18 4.943 4.095 -4.971
120 1HN CSX 19 HN LAS 19 3.430 4.006 -0.835
121 HA CSX 19 HA LAS 19 2.478 6.250 -2.360
122 1HB CSX 19 1HB LAS 19 0.138 5.572 -1.170
123 2HB CSX 19 2HB LAS 19 1.057 5.187 0.265
124 HXT CSX 19 HO LAS 19 4.849 7.892 -0.681
No H/Q in entry = 124