NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
3674 |
1e0q   |
cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H1 MET 1 -14.044 0.236 -0.523
2 H2 MET 1 H2 MET 1 -15.186 1.479 -0.639
3 H3 MET 1 H3 MET 1 -14.434 0.885 -2.035
4 HA MET 1 HA MET 1 -13.359 2.861 -1.656
5 1HB MET 1 1HB MET 1 -12.351 3.466 0.631
6 2HB MET 1 2HB MET 1 -14.085 3.617 0.462
7 1HG MET 1 1HG MET 1 -12.996 1.125 1.719
8 2HG MET 1 2HG MET 1 -12.956 2.624 2.645
9 1HE MET 1 1HE MET 1 -14.978 4.084 3.111
10 2HE MET 1 2HE MET 1 -16.478 3.328 3.652
11 3HE MET 1 3HE MET 1 -14.947 2.899 4.419
12 H GLN 2 H GLN 2 -11.297 3.174 -2.226
13 HA GLN 2 HA GLN 2 -9.266 1.110 -1.685
14 1HB GLN 2 1HB GLN 2 -10.140 2.226 -4.317
15 2HB GLN 2 2HB GLN 2 -8.418 1.951 -4.098
16 1HG GLN 2 1HG GLN 2 -8.664 -0.339 -3.923
17 2HG GLN 2 2HG GLN 2 -10.364 -0.226 -3.468
18 2HE2 GLN 2 2HE2 GLN 2 -8.081 -0.258 -6.141
19 1HE2 GLN 2 1HE2 GLN 2 -9.265 -0.428 -7.388
20 H ILE 3 H ILE 3 -7.400 1.766 -0.903
21 HA ILE 3 HA ILE 3 -6.309 4.433 -1.248
22 HB ILE 3 HB ILE 3 -5.768 4.631 1.298
23 1HG1 ILE 3 2HG1 ILE 3 -8.355 3.705 2.277
24 2HG1 ILE 3 1HG1 ILE 3 -7.537 2.353 1.514
25 1HG2 ILE 3 1HG2 ILE 3 -8.457 5.297 0.130
26 2HG2 ILE 3 2HG2 ILE 3 -7.883 5.936 1.670
27 3HG2 ILE 3 3HG2 ILE 3 -7.005 6.298 0.182
28 1HD1 ILE 3 1HD1 ILE 3 -6.054 4.008 3.494
29 2HD1 ILE 3 2HD1 ILE 3 -7.248 2.834 4.050
30 3HD1 ILE 3 3HD1 ILE 3 -5.872 2.302 3.083
31 H PHE 4 H PHE 4 -4.296 4.352 -1.743
32 HA PHE 4 HA PHE 4 -2.717 1.907 -1.504
33 1HB PHE 4 1HB PHE 4 -2.762 4.292 -3.259
34 2HB PHE 4 2HB PHE 4 -1.165 3.651 -2.942
35 HD1 PHE 4 HD1 PHE 4 -4.623 2.774 -4.508
36 HD2 PHE 4 HD2 PHE 4 -0.265 1.683 -4.122
37 HE1 PHE 4 HE1 PHE 4 -4.861 1.124 -6.483
38 HE2 PHE 4 HE2 PHE 4 -0.517 0.026 -6.097
39 HZ PHE 4 HZ PHE 4 -2.807 -0.248 -7.288
40 H VAL 5 H VAL 5 -0.694 1.661 -0.617
41 HA VAL 5 HA VAL 5 0.627 3.806 0.863
42 HB VAL 5 HB VAL 5 1.100 2.217 2.861
43 1HG1 VAL 5 1HG1 VAL 5 -0.135 4.253 3.096
44 2HG1 VAL 5 2HG1 VAL 5 -1.615 3.466 2.550
45 3HG1 VAL 5 3HG1 VAL 5 -0.879 2.994 4.083
46 1HG2 VAL 5 1HG2 VAL 5 -1.491 0.874 2.003
47 2HG2 VAL 5 2HG2 VAL 5 0.092 0.103 2.104
48 3HG2 VAL 5 3HG2 VAL 5 -0.706 0.679 3.570
49 H LYS 6 H LYS 6 2.779 3.831 0.771
50 HA LYS 6 HA LYS 6 4.286 1.512 -0.272
51 1HB LYS 6 1HB LYS 6 3.758 3.757 -1.752
52 2HB LYS 6 2HB LYS 6 5.299 4.193 -1.033
53 1HG LYS 6 1HG LYS 6 6.399 2.348 -2.048
54 2HG LYS 6 2HG LYS 6 4.870 1.618 -2.539
55 1HD LYS 6 1HD LYS 6 4.541 3.132 -4.266
56 2HD LYS 6 2HD LYS 6 5.587 4.356 -3.542
57 1HE LYS 6 1HE LYS 6 7.547 3.173 -4.162
58 2HE LYS 6 2HE LYS 6 6.624 1.736 -4.601
59 1HZ LYS 6 1HZ LYS 6 6.460 4.351 -5.999
60 2HZ LYS 6 2HZ LYS 6 7.349 3.016 -6.541
61 3HZ LYS 6 3HZ LYS 6 5.662 2.927 -6.445
62 H THR 7 H THR 7 6.355 1.149 0.456
63 HA THR 7 HA THR 7 7.398 2.686 2.772
64 HB THR 7 HB THR 7 8.597 0.482 3.383
65 HG1 THR 7 HG1 THR 7 6.552 -0.568 1.708
66 1HG2 THR 7 1HG2 THR 7 5.638 0.868 3.751
67 2HG2 THR 7 2HG2 THR 7 6.504 -0.477 4.496
68 3HG2 THR 7 3HG2 THR 7 6.943 1.186 4.894
69 H LEU 8 H LEU 8 9.615 3.082 2.965
70 HA LEU 8 HA LEU 8 11.166 3.506 0.594
71 1HB LEU 8 1HB LEU 8 11.540 3.985 3.513
72 2HB LEU 8 2HB LEU 8 12.966 4.032 2.499
73 HG LEU 8 HG LEU 8 10.920 5.638 1.232
74 1HD1 LEU 8 1HD1 LEU 8 9.955 5.804 3.510
75 2HD1 LEU 8 2HD1 LEU 8 11.466 6.536 4.052
76 3HD1 LEU 8 3HD1 LEU 8 10.479 7.346 2.836
77 1HD2 LEU 8 1HD2 LEU 8 13.540 6.376 2.530
78 2HD2 LEU 8 2HD2 LEU 8 13.258 6.003 0.830
79 3HD2 LEU 8 3HD2 LEU 8 12.567 7.463 1.539
80 H ASP 9 H ASP 9 10.965 0.725 2.658
81 HA ASP 9 HA ASP 9 13.575 -0.447 2.370
82 1HB ASP 9 1HB ASP 9 11.004 -1.251 3.593
83 2HB ASP 9 2HB ASP 9 12.012 -2.580 3.034
84 H GLY 10 H GLY 10 10.496 -0.855 0.566
85 1HA GLY 10 2HA GLY 10 11.819 -2.591 -1.454
86 2HA GLY 10 1HA GLY 10 10.760 -1.265 -1.892
87 H LYS 11 H LYS 11 8.510 -1.433 -0.593
88 HA LYS 11 HA LYS 11 7.278 -4.012 -1.310
89 1HB LYS 11 1HB LYS 11 7.163 -2.718 1.399
90 2HB LYS 11 2HB LYS 11 5.756 -3.588 0.819
91 1HG LYS 11 1HG LYS 11 7.025 -5.628 0.665
92 2HG LYS 11 2HG LYS 11 8.511 -4.772 1.089
93 1HD LYS 11 1HD LYS 11 7.329 -4.103 3.246
94 2HD LYS 11 2HD LYS 11 6.100 -5.297 2.820
95 1HE LYS 11 1HE LYS 11 8.016 -6.960 2.637
96 2HE LYS 11 2HE LYS 11 9.006 -5.733 3.431
97 1HZ LYS 11 1HZ LYS 11 7.423 -5.753 5.284
98 2HZ LYS 11 2HZ LYS 11 6.553 -6.993 4.531
99 3HZ LYS 11 3HZ LYS 11 8.140 -7.267 5.049
100 H THR 12 H THR 12 5.196 -3.935 -2.111
101 HA THR 12 HA THR 12 3.621 -1.471 -2.135
102 HB THR 12 HB THR 12 3.073 -1.876 -4.650
103 HG1 THR 12 HG1 THR 12 4.181 -3.436 -5.532
104 1HG2 THR 12 1HG2 THR 12 4.396 0.060 -3.622
105 2HG2 THR 12 2HG2 THR 12 5.836 -0.782 -4.194
106 3HG2 THR 12 3HG2 THR 12 4.612 -0.245 -5.345
107 H ILE 13 H ILE 13 1.707 -1.918 -1.389
108 HA ILE 13 HA ILE 13 0.031 -4.132 -2.223
109 HB ILE 13 HB ILE 13 -0.586 -4.752 0.237
110 1HG1 ILE 13 1HG1 ILE 13 2.177 -4.738 1.242
111 2HG1 ILE 13 2HG1 ILE 13 1.652 -3.094 0.924
112 1HG2 ILE 13 1HG2 ILE 13 1.881 -5.842 -1.096
113 2HG2 ILE 13 2HG2 ILE 13 1.015 -6.637 0.221
114 3HG2 ILE 13 3HG2 ILE 13 0.211 -6.361 -1.326
115 1HD1 ILE 13 1HD1 ILE 13 0.063 -5.011 2.605
116 2HD1 ILE 13 2HD1 ILE 13 1.307 -3.948 3.265
117 3HD1 ILE 13 3HD1 ILE 13 -0.119 -3.259 2.484
118 H THR 14 H THR 14 -2.149 -3.808 -2.044
119 HA THR 14 HA THR 14 -3.102 -1.109 -1.505
120 HB THR 14 HB THR 14 -5.375 -2.051 -2.240
121 HG1 THR 14 HG1 THR 14 -5.411 -4.155 -2.430
122 1HG2 THR 14 1HG2 THR 14 -3.550 -0.858 -3.707
123 2HG2 THR 14 2HG2 THR 14 -3.505 -2.433 -4.503
124 3HG2 THR 14 3HG2 THR 14 -5.023 -1.536 -4.405
125 H LEU 15 H LEU 15 -4.595 -0.415 -0.029
126 HA LEU 15 HA LEU 15 -5.328 -2.196 2.197
127 1HB LEU 15 1HB LEU 15 -3.871 0.162 2.338
128 2HB LEU 15 2HB LEU 15 -5.488 0.707 2.724
129 HG LEU 15 HG LEU 15 -4.925 -1.685 4.271
130 1HD1 LEU 15 1HD1 LEU 15 -2.871 0.492 4.615
131 2HD1 LEU 15 2HD1 LEU 15 -3.114 -0.882 5.693
132 3HD1 LEU 15 3HD1 LEU 15 -2.570 -1.148 4.038
133 1HD2 LEU 15 1HD2 LEU 15 -5.350 1.186 5.101
134 2HD2 LEU 15 2HD2 LEU 15 -6.584 -0.064 4.943
135 3HD2 LEU 15 3HD2 LEU 15 -5.350 -0.199 6.195
136 H GLU 16 H GLU 16 -7.258 -2.969 1.836
137 HA GLU 16 HA GLU 16 -9.513 -1.254 0.995
138 1HB GLU 16 1HB GLU 16 -8.559 -3.853 -0.127
139 2HB GLU 16 2HB GLU 16 -10.297 -3.602 -0.050
140 1HG GLU 16 1HG GLU 16 -9.781 -1.358 -1.247
141 2HG GLU 16 2HG GLU 16 -8.236 -2.109 -1.639
142 H VAL 17 H VAL 17 -11.534 -1.593 1.884
143 HA VAL 17 HA VAL 17 -11.943 -3.661 3.936
144 HB VAL 17 HB VAL 17 -13.275 -1.969 5.371
145 1HG1 VAL 17 1HG1 VAL 17 -11.201 -3.069 6.048
146 2HG1 VAL 17 2HG1 VAL 17 -10.280 -1.724 5.375
147 3HG1 VAL 17 3HG1 VAL 17 -11.369 -1.454 6.735
148 1HG2 VAL 17 1HG2 VAL 17 -13.089 0.015 3.758
149 2HG2 VAL 17 2HG2 VAL 17 -12.707 0.345 5.449
150 3HG2 VAL 17 3HG2 VAL 17 -11.408 0.152 4.274
No H/Q in entry = 150
Start of MODEL 2
1 H1 MET 1 H1 MET 1 -14.146 0.229 -1.913
2 H2 MET 1 H2 MET 1 -13.942 -0.098 -0.266
3 H3 MET 1 H3 MET 1 -15.098 1.032 -0.766
4 HA MET 1 HA MET 1 -13.393 2.494 -1.592
5 1HB MET 1 1HB MET 1 -14.100 2.026 1.028
6 2HB MET 1 2HB MET 1 -12.349 1.956 1.126
7 1HG MET 1 1HG MET 1 -12.088 4.175 0.637
8 2HG MET 1 2HG MET 1 -13.593 4.268 -0.279
9 1HE MET 1 1HE MET 1 -11.834 4.092 3.021
10 2HE MET 1 2HE MET 1 -12.127 5.826 2.886
11 3HE MET 1 3HE MET 1 -12.908 4.899 4.168
12 H GLN 2 H GLN 2 -11.297 3.012 -2.109
13 HA GLN 2 HA GLN 2 -9.134 1.048 -1.771
14 1HB GLN 2 1HB GLN 2 -10.146 2.203 -4.341
15 2HB GLN 2 2HB GLN 2 -8.408 2.016 -4.168
16 1HG GLN 2 1HG GLN 2 -8.542 -0.303 -4.020
17 2HG GLN 2 2HG GLN 2 -10.259 -0.273 -3.624
18 2HE2 GLN 2 2HE2 GLN 2 -7.885 -0.134 -6.211
19 1HE2 GLN 2 1HE2 GLN 2 -9.015 -0.305 -7.505
20 H ILE 3 H ILE 3 -7.311 1.808 -0.994
21 HA ILE 3 HA ILE 3 -6.354 4.519 -1.315
22 HB ILE 3 HB ILE 3 -5.839 4.753 1.240
23 1HG1 ILE 3 2HG1 ILE 3 -8.410 3.785 2.206
24 2HG1 ILE 3 1HG1 ILE 3 -7.574 2.442 1.447
25 1HG2 ILE 3 1HG2 ILE 3 -7.268 6.208 -0.199
26 2HG2 ILE 3 2HG2 ILE 3 -8.669 5.309 0.384
27 3HG2 ILE 3 3HG2 ILE 3 -7.674 6.226 1.517
28 1HD1 ILE 3 1HD1 ILE 3 -6.137 4.125 3.444
29 2HD1 ILE 3 2HD1 ILE 3 -7.293 2.904 3.975
30 3HD1 ILE 3 3HD1 ILE 3 -5.894 2.433 3.012
31 H PHE 4 H PHE 4 -4.325 4.526 -1.761
32 HA PHE 4 HA PHE 4 -2.669 2.139 -1.505
33 1HB PHE 4 1HB PHE 4 -2.744 4.540 -3.238
34 2HB PHE 4 2HB PHE 4 -1.138 3.938 -2.893
35 HD1 PHE 4 HD1 PHE 4 -4.539 2.987 -4.538
36 HD2 PHE 4 HD2 PHE 4 -0.164 2.001 -4.070
37 HE1 PHE 4 HE1 PHE 4 -4.697 1.338 -6.522
38 HE2 PHE 4 HE2 PHE 4 -0.335 0.347 -6.055
39 HZ PHE 4 HZ PHE 4 -2.594 0.022 -7.292
40 H VAL 5 H VAL 5 -0.697 1.921 -0.548
41 HA VAL 5 HA VAL 5 0.642 4.062 0.895
42 HB VAL 5 HB VAL 5 0.942 2.597 3.021
43 1HG1 VAL 5 1HG1 VAL 5 -0.310 4.753 2.806
44 2HG1 VAL 5 2HG1 VAL 5 -1.789 3.795 2.708
45 3HG1 VAL 5 3HG1 VAL 5 -0.782 3.719 4.154
46 1HG2 VAL 5 1HG2 VAL 5 -0.280 0.527 2.178
47 2HG2 VAL 5 2HG2 VAL 5 -0.784 1.109 3.766
48 3HG2 VAL 5 3HG2 VAL 5 -1.780 1.437 2.349
49 H LYS 6 H LYS 6 2.801 3.935 0.928
50 HA LYS 6 HA LYS 6 4.155 1.490 -0.042
51 1HB LYS 6 1HB LYS 6 4.014 3.908 -1.349
52 2HB LYS 6 2HB LYS 6 5.547 4.055 -0.507
53 1HG LYS 6 1HG LYS 6 6.504 2.265 -1.666
54 2HG LYS 6 2HG LYS 6 4.938 1.627 -2.166
55 1HD LYS 6 1HD LYS 6 4.660 3.266 -3.818
56 2HD LYS 6 2HD LYS 6 5.882 4.325 -3.107
57 1HE LYS 6 1HE LYS 6 7.648 2.930 -3.852
58 2HE LYS 6 2HE LYS 6 6.537 1.627 -4.272
59 1HZ LYS 6 1HZ LYS 6 6.582 4.278 -5.609
60 2HZ LYS 6 2HZ LYS 6 7.358 2.898 -6.205
61 3HZ LYS 6 3HZ LYS 6 5.673 2.926 -6.066
62 H THR 7 H THR 7 6.044 0.813 0.860
63 HA THR 7 HA THR 7 6.717 1.611 3.584
64 HB THR 7 HB THR 7 8.401 -0.339 3.373
65 HG1 THR 7 HG1 THR 7 8.580 -1.003 1.384
66 1HG2 THR 7 1HG2 THR 7 6.257 -0.511 4.602
67 2HG2 THR 7 2HG2 THR 7 5.470 -1.028 3.110
68 3HG2 THR 7 3HG2 THR 7 6.726 -2.030 3.838
69 H LEU 8 H LEU 8 8.235 1.747 0.361
70 HA LEU 8 HA LEU 8 9.889 2.920 -0.636
71 1HB LEU 8 1HB LEU 8 10.333 4.245 2.054
72 2HB LEU 8 2HB LEU 8 11.411 4.542 0.707
73 HG LEU 8 HG LEU 8 8.653 4.930 -0.154
74 1HD1 LEU 8 1HD1 LEU 8 8.353 5.433 2.294
75 2HD1 LEU 8 2HD1 LEU 8 9.443 6.799 2.064
76 3HD1 LEU 8 3HD1 LEU 8 7.919 6.730 1.180
77 1HD2 LEU 8 1HD2 LEU 8 10.972 6.850 0.078
78 2HD2 LEU 8 2HD2 LEU 8 10.539 5.887 -1.335
79 3HD2 LEU 8 3HD2 LEU 8 9.464 7.169 -0.778
80 H ASP 9 H ASP 9 10.521 0.739 1.951
81 HA ASP 9 HA ASP 9 13.366 0.365 1.708
82 1HB ASP 9 1HB ASP 9 11.487 -0.361 3.595
83 2HB ASP 9 2HB ASP 9 11.881 -1.902 2.842
84 H GLY 10 H GLY 10 10.504 -1.290 0.297
85 1HA GLY 10 2HA GLY 10 12.101 -3.288 -1.156
86 2HA GLY 10 1HA GLY 10 11.261 -2.090 -2.118
87 H LYS 11 H LYS 11 8.814 -1.893 -0.657
88 HA LYS 11 HA LYS 11 7.410 -4.348 -1.451
89 1HB LYS 11 1HB LYS 11 7.461 -3.275 1.357
90 2HB LYS 11 2HB LYS 11 5.973 -3.988 0.757
91 1HG LYS 11 1HG LYS 11 7.050 -6.096 0.404
92 2HG LYS 11 2HG LYS 11 8.630 -5.401 0.785
93 1HD LYS 11 1HD LYS 11 7.740 -4.844 3.057
94 2HD LYS 11 2HD LYS 11 6.290 -5.763 2.652
95 1HE LYS 11 1HE LYS 11 7.736 -7.735 2.231
96 2HE LYS 11 2HE LYS 11 9.112 -6.795 2.806
97 1HZ LYS 11 1HZ LYS 11 6.689 -7.429 4.401
98 2HZ LYS 11 2HZ LYS 11 8.178 -8.220 4.537
99 3HZ LYS 11 3HZ LYS 11 8.050 -6.585 4.949
100 H THR 12 H THR 12 5.307 -4.089 -2.161
101 HA THR 12 HA THR 12 3.874 -1.545 -1.954
102 HB THR 12 HB THR 12 3.243 -1.727 -4.476
103 HG1 THR 12 HG1 THR 12 4.326 -3.103 -5.645
104 1HG2 THR 12 1HG2 THR 12 4.668 0.067 -3.367
105 2HG2 THR 12 2HG2 THR 12 6.067 -0.814 -3.982
106 3HG2 THR 12 3HG2 THR 12 4.880 -0.148 -5.105
107 H ILE 13 H ILE 13 1.890 -1.917 -1.305
108 HA ILE 13 HA ILE 13 0.154 -4.037 -2.250
109 HB ILE 13 HB ILE 13 -0.528 -4.722 0.183
110 1HG1 ILE 13 1HG1 ILE 13 2.240 -4.856 1.190
111 2HG1 ILE 13 2HG1 ILE 13 1.757 -3.185 0.959
112 1HG2 ILE 13 1HG2 ILE 13 1.895 -5.869 -1.187
113 2HG2 ILE 13 2HG2 ILE 13 0.997 -6.676 0.100
114 3HG2 ILE 13 3HG2 ILE 13 0.203 -6.308 -1.431
115 1HD1 ILE 13 1HD1 ILE 13 0.098 -5.132 2.530
116 2HD1 ILE 13 2HD1 ILE 13 1.394 -4.179 3.254
117 3HD1 ILE 13 3HD1 ILE 13 0.003 -3.370 2.524
118 H THR 14 H THR 14 -2.011 -3.655 -2.099
119 HA THR 14 HA THR 14 -2.904 -0.951 -1.495
120 HB THR 14 HB THR 14 -5.196 -1.832 -2.268
121 HG1 THR 14 HG1 THR 14 -5.212 -3.951 -2.422
122 1HG2 THR 14 1HG2 THR 14 -3.395 -0.597 -3.676
123 2HG2 THR 14 2HG2 THR 14 -3.254 -2.156 -4.492
124 3HG2 THR 14 3HG2 THR 14 -4.809 -1.321 -4.445
125 H LEU 15 H LEU 15 -4.395 -0.252 -0.014
126 HA LEU 15 HA LEU 15 -5.184 -2.070 2.162
127 1HB LEU 15 1HB LEU 15 -3.676 0.218 2.409
128 2HB LEU 15 2HB LEU 15 -5.284 0.844 2.704
129 HG LEU 15 HG LEU 15 -5.007 -1.546 4.286
130 1HD1 LEU 15 1HD1 LEU 15 -2.683 0.340 4.624
131 2HD1 LEU 15 2HD1 LEU 15 -3.160 -0.898 5.787
132 3HD1 LEU 15 3HD1 LEU 15 -2.617 -1.364 4.174
133 1HD2 LEU 15 1HD2 LEU 15 -6.449 0.370 4.825
134 2HD2 LEU 15 2HD2 LEU 15 -5.400 -0.077 6.170
135 3HD2 LEU 15 3HD2 LEU 15 -5.016 1.334 5.185
136 H GLU 16 H GLU 16 -7.118 -2.809 1.783
137 HA GLU 16 HA GLU 16 -9.323 -1.070 0.863
138 1HB GLU 16 1HB GLU 16 -8.391 -3.730 -0.111
139 2HB GLU 16 2HB GLU 16 -10.126 -3.457 -0.082
140 1HG GLU 16 1HG GLU 16 -9.638 -1.324 -1.410
141 2HG GLU 16 2HG GLU 16 -8.024 -1.986 -1.656
142 H VAL 17 H VAL 17 -11.365 -1.311 1.720
143 HA VAL 17 HA VAL 17 -11.742 -3.096 4.046
144 HB VAL 17 HB VAL 17 -13.457 -1.376 4.941
145 1HG1 VAL 17 1HG1 VAL 17 -11.240 -1.943 5.920
146 2HG1 VAL 17 2HG1 VAL 17 -10.586 -0.519 5.112
147 3HG1 VAL 17 3HG1 VAL 17 -11.852 -0.340 6.326
148 1HG2 VAL 17 1HG2 VAL 17 -13.423 0.200 2.933
149 2HG2 VAL 17 2HG2 VAL 17 -13.230 0.968 4.511
150 3HG2 VAL 17 3HG2 VAL 17 -11.826 0.719 3.472
No H/Q in entry = 150
Start of MODEL 3
1 H1 MET 1 H1 MET 1 -14.000 0.675 -1.416
2 H2 MET 1 H2 MET 1 -13.775 0.555 0.255
3 H3 MET 1 H3 MET 1 -14.883 1.670 -0.372
4 HA MET 1 HA MET 1 -13.111 2.903 -1.424
5 1HB MET 1 1HB MET 1 -13.838 2.875 1.228
6 2HB MET 1 2HB MET 1 -12.090 2.720 1.350
7 1HG MET 1 1HG MET 1 -11.712 4.819 0.466
8 2HG MET 1 2HG MET 1 -13.271 4.871 -0.358
9 1HE MET 1 1HE MET 1 -15.537 5.103 0.849
10 2HE MET 1 2HE MET 1 -15.678 6.364 2.075
11 3HE MET 1 3HE MET 1 -14.937 6.729 0.516
12 H GLN 2 H GLN 2 -10.999 3.219 -2.019
13 HA GLN 2 HA GLN 2 -8.942 1.226 -1.372
14 1HB GLN 2 1HB GLN 2 -10.080 1.730 -4.009
15 2HB GLN 2 2HB GLN 2 -8.357 2.067 -3.999
16 1HG GLN 2 1HG GLN 2 -7.813 -0.144 -3.416
17 2HG GLN 2 2HG GLN 2 -9.476 -0.519 -2.967
18 2HE2 GLN 2 2HE2 GLN 2 -7.210 -0.151 -5.629
19 1HE2 GLN 2 1HE2 GLN 2 -8.239 -0.833 -6.838
20 H ILE 3 H ILE 3 -7.087 1.998 -0.701
21 HA ILE 3 HA ILE 3 -6.003 4.580 -1.428
22 HB ILE 3 HB ILE 3 -5.464 5.191 1.047
23 1HG1 ILE 3 1HG1 ILE 3 -8.072 4.376 2.129
24 2HG1 ILE 3 2HG1 ILE 3 -7.153 2.954 1.668
25 1HG2 ILE 3 1HG2 ILE 3 -6.860 6.467 -0.556
26 2HG2 ILE 3 2HG2 ILE 3 -8.287 5.658 0.095
27 3HG2 ILE 3 3HG2 ILE 3 -7.317 6.706 1.130
28 1HD1 ILE 3 1HD1 ILE 3 -5.801 5.022 3.320
29 2HD1 ILE 3 2HD1 ILE 3 -7.007 3.980 4.077
30 3HD1 ILE 3 3HD1 ILE 3 -5.591 3.270 3.299
31 H PHE 4 H PHE 4 -4.006 4.403 -1.918
32 HA PHE 4 HA PHE 4 -2.451 2.009 -1.392
33 1HB PHE 4 1HB PHE 4 -2.376 4.265 -3.311
34 2HB PHE 4 2HB PHE 4 -0.808 3.617 -2.885
35 HD1 PHE 4 HD1 PHE 4 -4.225 2.683 -4.522
36 HD2 PHE 4 HD2 PHE 4 0.097 1.561 -3.891
37 HE1 PHE 4 HE1 PHE 4 -4.406 0.918 -6.400
38 HE2 PHE 4 HE2 PHE 4 -0.100 -0.210 -5.772
39 HZ PHE 4 HZ PHE 4 -2.345 -0.529 -7.036
40 H VAL 5 H VAL 5 -0.513 1.775 -0.374
41 HA VAL 5 HA VAL 5 0.831 3.986 0.978
42 HB VAL 5 HB VAL 5 1.137 2.546 3.127
43 1HG1 VAL 5 1HG1 VAL 5 0.005 4.664 3.111
44 2HG1 VAL 5 2HG1 VAL 5 -1.496 3.895 2.598
45 3HG1 VAL 5 3HG1 VAL 5 -0.825 3.543 4.190
46 1HG2 VAL 5 1HG2 VAL 5 -0.092 0.470 2.274
47 2HG2 VAL 5 2HG2 VAL 5 -0.555 1.045 3.878
48 3HG2 VAL 5 3HG2 VAL 5 -1.586 1.382 2.488
49 H LYS 6 H LYS 6 2.972 3.932 0.899
50 HA LYS 6 HA LYS 6 4.391 1.459 0.128
51 1HB LYS 6 1HB LYS 6 4.023 3.682 -1.492
52 2HB LYS 6 2HB LYS 6 5.633 3.943 -0.838
53 1HG LYS 6 1HG LYS 6 6.487 2.004 -1.824
54 2HG LYS 6 2HG LYS 6 4.885 1.312 -2.073
55 1HD LYS 6 1HD LYS 6 4.429 2.744 -3.886
56 2HD LYS 6 2HD LYS 6 5.746 3.839 -3.467
57 1HE LYS 6 1HE LYS 6 6.426 1.012 -4.169
58 2HE LYS 6 2HE LYS 6 5.942 2.107 -5.462
59 1HZ LYS 6 1HZ LYS 6 7.689 3.655 -4.663
60 2HZ LYS 6 2HZ LYS 6 8.214 2.460 -3.587
61 3HZ LYS 6 3HZ LYS 6 8.295 2.192 -5.254
62 H THR 7 H THR 7 6.382 1.027 0.941
63 HA THR 7 HA THR 7 7.273 2.364 3.399
64 HB THR 7 HB THR 7 8.921 0.342 3.426
65 HG1 THR 7 HG1 THR 7 8.765 -0.855 1.698
66 1HG2 THR 7 1HG2 THR 7 6.961 0.623 4.940
67 2HG2 THR 7 2HG2 THR 7 5.984 -0.266 3.771
68 3HG2 THR 7 3HG2 THR 7 7.338 -1.062 4.574
69 H LEU 8 H LEU 8 8.374 1.805 0.089
70 HA LEU 8 HA LEU 8 10.031 2.310 -1.260
71 1HB LEU 8 1HB LEU 8 10.986 4.566 -1.296
72 2HB LEU 8 2HB LEU 8 9.261 4.585 -1.052
73 HG LEU 8 HG LEU 8 10.793 4.783 1.479
74 1HD1 LEU 8 1HD1 LEU 8 12.283 6.034 -0.104
75 2HD1 LEU 8 2HD1 LEU 8 10.947 7.155 -0.366
76 3HD1 LEU 8 3HD1 LEU 8 11.649 6.980 1.243
77 1HD2 LEU 8 1HD2 LEU 8 8.372 5.169 1.355
78 2HD2 LEU 8 2HD2 LEU 8 9.229 6.589 1.958
79 3HD2 LEU 8 3HD2 LEU 8 8.648 6.549 0.293
80 H ASP 9 H ASP 9 10.745 0.304 -0.082
81 HA ASP 9 HA ASP 9 13.647 0.334 0.315
82 1HB ASP 9 1HB ASP 9 11.975 -0.020 2.515
83 2HB ASP 9 2HB ASP 9 12.365 -1.670 2.045
84 H GLY 10 H GLY 10 10.662 -1.589 -0.272
85 1HA GLY 10 2HA GLY 10 11.985 -3.885 -1.489
86 2HA GLY 10 1HA GLY 10 11.111 -2.851 -2.605
87 H LYS 11 H LYS 11 8.922 -2.128 -0.827
88 HA LYS 11 HA LYS 11 7.227 -4.532 -0.916
89 1HB LYS 11 1HB LYS 11 7.836 -2.941 1.570
90 2HB LYS 11 2HB LYS 11 6.256 -3.682 1.392
91 1HG LYS 11 1HG LYS 11 7.018 -5.757 1.821
92 2HG LYS 11 2HG LYS 11 8.485 -5.535 0.877
93 1HD LYS 11 1HD LYS 11 9.659 -5.375 2.774
94 2HD LYS 11 2HD LYS 11 8.806 -3.890 3.172
95 1HE LYS 11 1HE LYS 11 7.539 -6.522 3.820
96 2HE LYS 11 2HE LYS 11 8.847 -5.920 4.833
97 1HZ LYS 11 1HZ LYS 11 7.569 -3.878 5.172
98 2HZ LYS 11 2HZ LYS 11 6.300 -4.510 4.247
99 3HZ LYS 11 3HZ LYS 11 6.722 -5.240 5.713
100 H THR 12 H THR 12 5.020 -4.193 -1.219
101 HA THR 12 HA THR 12 3.838 -1.518 -1.299
102 HB THR 12 HB THR 12 2.653 -2.140 -3.530
103 HG1 THR 12 HG1 THR 12 4.982 -3.773 -3.746
104 1HG2 THR 12 1HG2 THR 12 4.459 -0.345 -3.114
105 2HG2 THR 12 2HG2 THR 12 5.556 -1.474 -3.910
106 3HG2 THR 12 3HG2 THR 12 4.152 -0.852 -4.776
107 H ILE 13 H ILE 13 1.913 -1.460 -0.367
108 HA ILE 13 HA ILE 13 0.146 -3.793 -0.237
109 HB ILE 13 HB ILE 13 1.629 -3.834 1.790
110 1HG1 ILE 13 2HG1 ILE 13 -0.801 -3.631 3.351
111 2HG1 ILE 13 1HG1 ILE 13 -1.203 -4.256 1.761
112 1HG2 ILE 13 1HG2 ILE 13 1.979 -1.526 2.361
113 2HG2 ILE 13 2HG2 ILE 13 0.278 -1.331 2.797
114 3HG2 ILE 13 3HG2 ILE 13 1.318 -2.396 3.746
115 1HD1 ILE 13 1HD1 ILE 13 0.909 -5.422 3.560
116 2HD1 ILE 13 2HD1 ILE 13 -0.751 -6.007 3.445
117 3HD1 ILE 13 3HD1 ILE 13 0.316 -6.098 2.043
118 H THR 14 H THR 14 -1.997 -3.430 -0.398
119 HA THR 14 HA THR 14 -3.056 -0.678 -0.684
120 HB THR 14 HB THR 14 -4.990 -1.865 -1.943
121 HG1 THR 14 HG1 THR 14 -2.976 -3.877 -2.154
122 1HG2 THR 14 1HG2 THR 14 -3.025 -0.470 -2.910
123 2HG2 THR 14 2HG2 THR 14 -2.486 -2.029 -3.537
124 3HG2 THR 14 3HG2 THR 14 -4.079 -1.404 -3.972
125 H LEU 15 H LEU 15 -5.034 -0.056 0.194
126 HA LEU 15 HA LEU 15 -6.132 -1.717 2.363
127 1HB LEU 15 1HB LEU 15 -5.622 1.177 2.088
128 2HB LEU 15 2HB LEU 15 -7.219 0.817 2.706
129 HG LEU 15 HG LEU 15 -5.307 -0.799 4.162
130 1HD1 LEU 15 1HD1 LEU 15 -4.625 2.135 4.128
131 2HD1 LEU 15 2HD1 LEU 15 -4.025 0.961 5.300
132 3HD1 LEU 15 3HD1 LEU 15 -3.598 0.804 3.595
133 1HD2 LEU 15 1HD2 LEU 15 -7.031 1.520 5.028
134 2HD2 LEU 15 2HD2 LEU 15 -7.462 -0.189 5.065
135 3HD2 LEU 15 3HD2 LEU 15 -6.184 0.421 6.118
136 H GLU 16 H GLU 16 -7.675 -2.960 1.633
137 HA GLU 16 HA GLU 16 -9.809 -1.943 -0.143
138 1HB GLU 16 1HB GLU 16 -8.116 -4.390 -0.328
139 2HB GLU 16 2HB GLU 16 -9.800 -4.555 -0.796
140 1HG GLU 16 1HG GLU 16 -9.450 -2.636 -2.381
141 2HG GLU 16 2HG GLU 16 -7.733 -2.712 -1.997
142 H VAL 17 H VAL 17 -11.919 -2.561 0.181
143 HA VAL 17 HA VAL 17 -12.626 -3.698 2.779
144 HB VAL 17 HB VAL 17 -13.439 -1.398 2.123
145 1HG1 VAL 17 1HG1 VAL 17 -14.085 -1.647 -0.206
146 2HG1 VAL 17 2HG1 VAL 17 -15.424 -2.697 0.263
147 3HG1 VAL 17 3HG1 VAL 17 -15.413 -1.006 0.761
148 1HG2 VAL 17 1HG2 VAL 17 -14.515 -2.831 3.903
149 2HG2 VAL 17 2HG2 VAL 17 -15.454 -1.469 3.297
150 3HG2 VAL 17 3HG2 VAL 17 -15.822 -3.105 2.750
No H/Q in entry = 150
Start of MODEL 4
1 H1 MET 1 H1 MET 1 -14.039 -0.121 -1.610
2 H2 MET 1 H2 MET 1 -13.829 -0.217 0.066
3 H3 MET 1 H3 MET 1 -15.006 0.811 -0.580
4 HA MET 1 HA MET 1 -13.322 2.175 -1.608
5 1HB MET 1 1HB MET 1 -14.041 2.070 1.054
6 2HB MET 1 2HB MET 1 -12.288 2.056 1.162
7 1HG MET 1 1HG MET 1 -12.614 4.291 1.235
8 2HG MET 1 2HG MET 1 -12.554 4.107 -0.516
9 1HE MET 1 1HE MET 1 -14.751 4.377 2.620
10 2HE MET 1 2HE MET 1 -14.421 6.032 2.104
11 3HE MET 1 3HE MET 1 -16.070 5.407 2.062
12 H GLN 2 H GLN 2 -11.229 2.657 -2.176
13 HA GLN 2 HA GLN 2 -9.045 0.793 -1.548
14 1HB GLN 2 1HB GLN 2 -10.197 0.718 -4.003
15 2HB GLN 2 2HB GLN 2 -9.017 1.986 -4.285
16 1HG GLN 2 1HG GLN 2 -7.278 0.350 -3.376
17 2HG GLN 2 2HG GLN 2 -8.524 -0.885 -3.530
18 2HE2 GLN 2 2HE2 GLN 2 -9.029 -1.697 -5.571
19 1HE2 GLN 2 1HE2 GLN 2 -8.152 -1.256 -6.990
20 H ILE 3 H ILE 3 -7.243 1.663 -0.862
21 HA ILE 3 HA ILE 3 -6.352 4.360 -1.435
22 HB ILE 3 HB ILE 3 -5.806 4.787 1.090
23 1HG2 ILE 3 1HG2 ILE 3 -8.574 5.199 -0.027
24 2HG2 ILE 3 2HG2 ILE 3 -7.914 6.058 1.365
25 3HG2 ILE 3 3HG2 ILE 3 -7.169 6.247 -0.223
26 1HD1 ILE 3 1HD1 ILE 3 -6.023 4.317 3.306
27 2HD1 ILE 3 2HD1 ILE 3 -7.209 3.208 3.995
28 3HD1 ILE 3 3HD1 ILE 3 -5.827 2.576 3.099
29 H PHE 4 H PHE 4 -4.336 4.353 -1.950
30 HA PHE 4 HA PHE 4 -2.634 2.022 -1.558
31 1HB PHE 4 1HB PHE 4 -2.790 4.285 -3.450
32 2HB PHE 4 2HB PHE 4 -1.159 3.774 -3.080
33 HD1 PHE 4 HD1 PHE 4 -4.518 2.625 -4.655
34 HD2 PHE 4 HD2 PHE 4 -0.132 1.742 -4.083
35 HE1 PHE 4 HE1 PHE 4 -4.636 0.829 -6.511
36 HE2 PHE 4 HE2 PHE 4 -0.259 -0.044 -5.956
37 HZ PHE 4 HZ PHE 4 -2.505 -0.501 -7.172
38 H VAL 5 H VAL 5 -0.647 1.886 -0.626
39 HA VAL 5 HA VAL 5 0.670 4.132 0.677
40 HB VAL 5 HB VAL 5 1.064 2.766 2.852
41 1HG1 VAL 5 1HG1 VAL 5 -0.252 4.872 2.595
42 2HG1 VAL 5 2HG1 VAL 5 -1.707 3.876 2.545
43 3HG1 VAL 5 3HG1 VAL 5 -0.681 3.869 3.981
44 1HG2 VAL 5 1HG2 VAL 5 -0.009 0.610 2.292
45 2HG2 VAL 5 2HG2 VAL 5 -0.773 1.353 3.697
46 3HG2 VAL 5 3HG2 VAL 5 -1.566 1.420 2.122
47 H LYS 6 H LYS 6 2.828 4.081 0.616
48 HA LYS 6 HA LYS 6 4.227 1.638 -0.283
49 1HB LYS 6 1HB LYS 6 3.931 3.925 -1.745
50 2HB LYS 6 2HB LYS 6 5.457 4.255 -0.944
51 1HG LYS 6 1HG LYS 6 6.495 2.367 -1.934
52 2HG LYS 6 2HG LYS 6 4.954 1.722 -2.496
53 1HD LYS 6 1HD LYS 6 4.841 3.135 -4.289
54 2HD LYS 6 2HD LYS 6 5.714 4.437 -3.478
55 1HE LYS 6 1HE LYS 6 7.813 3.321 -3.823
56 2HE LYS 6 2HE LYS 6 7.000 1.888 -4.454
57 1HZ LYS 6 1HZ LYS 6 6.171 3.272 -6.299
58 2HZ LYS 6 2HZ LYS 6 7.081 4.574 -5.716
59 3HZ LYS 6 3HZ LYS 6 7.860 3.176 -6.264
60 H THR 7 H THR 7 6.227 1.104 0.503
61 HA THR 7 HA THR 7 7.240 2.432 2.952
62 HB THR 7 HB THR 7 8.368 0.120 3.363
63 HG1 THR 7 HG1 THR 7 7.877 -0.915 1.445
64 1HG2 THR 7 1HG2 THR 7 5.475 0.755 3.798
65 2HG2 THR 7 2HG2 THR 7 6.119 -0.808 4.301
66 3HG2 THR 7 3HG2 THR 7 6.795 0.681 4.966
67 H LEU 8 H LEU 8 9.436 2.780 3.270
68 HA LEU 8 HA LEU 8 11.094 3.435 1.046
69 1HB LEU 8 1HB LEU 8 11.018 3.966 3.830
70 2HB LEU 8 2HB LEU 8 12.605 3.305 3.505
71 HG LEU 8 HG LEU 8 12.190 5.244 1.470
72 1HD1 LEU 8 1HD1 LEU 8 11.294 6.313 4.142
73 2HD1 LEU 8 2HD1 LEU 8 11.803 7.321 2.789
74 3HD1 LEU 8 3HD1 LEU 8 10.383 6.288 2.632
75 1HD2 LEU 8 1HD2 LEU 8 13.831 5.395 3.996
76 2HD2 LEU 8 2HD2 LEU 8 14.348 4.786 2.422
77 3HD2 LEU 8 3HD2 LEU 8 13.982 6.499 2.628
78 H ASP 9 H ASP 9 10.772 0.398 2.676
79 HA ASP 9 HA ASP 9 13.373 -0.778 2.350
80 1HB ASP 9 1HB ASP 9 11.096 -1.472 3.749
81 2HB ASP 9 2HB ASP 9 11.145 -2.688 2.479
82 H GLY 10 H GLY 10 10.435 -0.772 0.307
83 1HA GLY 10 2HA GLY 10 11.888 -2.068 -1.936
84 2HA GLY 10 1HA GLY 10 10.672 -0.820 -2.128
85 H LYS 11 H LYS 11 8.544 -1.634 -0.645
86 HA LYS 11 HA LYS 11 7.491 -3.919 -2.116
87 1HB LYS 11 1HB LYS 11 6.363 -4.914 -0.041
88 2HB LYS 11 2HB LYS 11 8.070 -5.226 -0.233
89 1HG LYS 11 1HG LYS 11 8.188 -3.110 1.462
90 2HG LYS 11 2HG LYS 11 6.604 -3.745 1.902
91 1HD LYS 11 1HD LYS 11 7.821 -6.021 2.091
92 2HD LYS 11 2HD LYS 11 9.300 -5.060 2.111
93 1HE LYS 11 1HE LYS 11 8.621 -3.919 4.093
94 2HE LYS 11 2HE LYS 11 7.002 -4.611 4.005
95 1HZ LYS 11 1HZ LYS 11 9.476 -6.204 4.404
96 2HZ LYS 11 2HZ LYS 11 8.462 -5.693 5.659
97 3HZ LYS 11 3HZ LYS 11 7.882 -6.766 4.487
98 H THR 12 H THR 12 5.435 -3.737 -2.790
99 HA THR 12 HA THR 12 3.780 -1.459 -1.860
100 HB THR 12 HB THR 12 2.693 -1.598 -4.212
101 HG1 THR 12 HG1 THR 12 3.859 -2.523 -5.818
102 1HG2 THR 12 1HG2 THR 12 4.226 0.235 -3.321
103 2HG2 THR 12 2HG2 THR 12 5.514 -0.551 -4.236
104 3HG2 THR 12 3HG2 THR 12 4.098 0.085 -5.074
105 H ILE 13 H ILE 13 1.753 -1.765 -1.203
106 HA ILE 13 HA ILE 13 0.119 -4.083 -1.827
107 HB ILE 13 HB ILE 13 -0.490 -4.512 0.647
108 1HG1 ILE 13 1HG1 ILE 13 2.200 -4.219 1.768
109 2HG1 ILE 13 2HG1 ILE 13 1.633 -2.647 1.228
110 1HG2 ILE 13 1HG2 ILE 13 2.088 -5.527 -0.519
111 2HG2 ILE 13 2HG2 ILE 13 1.274 -6.246 0.873
112 3HG2 ILE 13 3HG2 ILE 13 0.469 -6.207 -0.698
113 1HD1 ILE 13 1HD1 ILE 13 0.112 -4.454 3.094
114 2HD1 ILE 13 2HD1 ILE 13 1.155 -3.125 3.605
115 3HD1 ILE 13 3HD1 ILE 13 -0.296 -2.794 2.657
116 H THR 14 H THR 14 -2.062 -3.784 -1.724
117 HA THR 14 HA THR 14 -3.079 -1.061 -1.406
118 HB THR 14 HB THR 14 -5.301 -2.065 -2.194
119 HG1 THR 14 HG1 THR 14 -5.334 -4.179 -2.268
120 1HG2 THR 14 1HG2 THR 14 -3.500 -0.928 -3.656
121 2HG2 THR 14 2HG2 THR 14 -3.239 -2.554 -4.289
122 3HG2 THR 14 3HG2 THR 14 -4.832 -1.801 -4.416
123 H LEU 15 H LEU 15 -4.634 -0.328 -0.006
124 HA LEU 15 HA LEU 15 -5.423 -2.037 2.259
125 1HB LEU 15 1HB LEU 15 -3.977 0.329 2.378
126 2HB LEU 15 2HB LEU 15 -5.608 0.879 2.696
127 HG LEU 15 HG LEU 15 -5.092 -1.462 4.330
128 1HD1 LEU 15 1HD1 LEU 15 -3.031 0.715 4.637
129 2HD1 LEU 15 2HD1 LEU 15 -3.326 -0.587 5.790
130 3HD1 LEU 15 3HD1 LEU 15 -2.735 -0.960 4.170
131 1HD2 LEU 15 1HD2 LEU 15 -6.724 0.429 4.729
132 2HD2 LEU 15 2HD2 LEU 15 -5.799 -0.110 6.130
133 3HD2 LEU 15 3HD2 LEU 15 -5.347 1.377 5.296
134 H GLU 16 H GLU 16 -7.326 -2.837 1.824
135 HA GLU 16 HA GLU 16 -9.525 -1.176 0.763
136 1HB GLU 16 1HB GLU 16 -8.537 -3.878 -0.005
137 2HB GLU 16 2HB GLU 16 -10.278 -3.641 -0.024
138 1HG GLU 16 1HG GLU 16 -9.642 -1.503 -1.430
139 2HG GLU 16 2HG GLU 16 -8.166 -2.413 -1.741
140 H VAL 17 H VAL 17 -11.584 -1.363 1.580
141 HA VAL 17 HA VAL 17 -12.169 -3.177 3.817
142 HB VAL 17 HB VAL 17 -13.484 -1.292 5.008
143 1HG1 VAL 17 1HG1 VAL 17 -11.551 -2.375 5.957
144 2HG1 VAL 17 2HG1 VAL 17 -10.480 -1.257 5.111
145 3HG1 VAL 17 3HG1 VAL 17 -11.566 -0.659 6.365
146 1HG2 VAL 17 1HG2 VAL 17 -13.127 0.505 3.209
147 2HG2 VAL 17 2HG2 VAL 17 -12.822 0.992 4.878
148 3HG2 VAL 17 3HG2 VAL 17 -11.472 0.630 3.804
No H/Q in entry = 148
Start of MODEL 5
1 H1 MET 1 H1 MET 1 -14.102 0.882 -1.176
2 H2 MET 1 H2 MET 1 -13.942 0.854 0.507
3 H3 MET 1 H3 MET 1 -15.000 1.953 -0.224
4 HA MET 1 HA MET 1 -13.193 3.124 -1.241
5 1HB MET 1 1HB MET 1 -13.906 3.145 1.424
6 2HB MET 1 2HB MET 1 -12.162 2.961 1.528
7 1HG MET 1 2HG MET 1 -12.270 5.218 1.558
8 2HG MET 1 1HG MET 1 -12.233 4.994 -0.189
9 1HE MET 1 1HE MET 1 -14.360 5.560 2.942
10 2HE MET 1 2HE MET 1 -13.887 7.163 2.372
11 3HE MET 1 3HE MET 1 -15.587 6.691 2.363
12 H GLN 2 H GLN 2 -11.060 3.394 -1.819
13 HA GLN 2 HA GLN 2 -9.072 1.343 -1.150
14 1HB GLN 2 1HB GLN 2 -10.230 1.533 -3.687
15 2HB GLN 2 2HB GLN 2 -8.708 2.390 -3.864
16 1HG GLN 2 1HG GLN 2 -7.470 0.454 -3.170
17 2HG GLN 2 2HG GLN 2 -8.957 -0.412 -2.797
18 2HE2 GLN 2 2HE2 GLN 2 -6.827 0.701 -5.366
19 1HE2 GLN 2 1HE2 GLN 2 -7.564 -0.224 -6.625
20 H ILE 3 H ILE 3 -7.214 2.059 -0.437
21 HA ILE 3 HA ILE 3 -6.107 4.665 -1.091
22 HB ILE 3 HB ILE 3 -5.514 5.109 1.409
23 1HG1 ILE 3 1HG1 ILE 3 -8.107 4.260 2.488
24 2HG1 ILE 3 2HG1 ILE 3 -7.230 2.855 1.906
25 1HG2 ILE 3 1HG2 ILE 3 -6.923 6.500 -0.084
26 2HG2 ILE 3 2HG2 ILE 3 -8.346 5.663 0.537
27 3HG2 ILE 3 3HG2 ILE 3 -7.349 6.632 1.622
28 1HD1 ILE 3 1HD1 ILE 3 -5.776 4.763 3.653
29 2HD1 ILE 3 2HD1 ILE 3 -7.010 3.732 4.378
30 3HD1 ILE 3 3HD1 ILE 3 -5.645 3.008 3.527
31 H PHE 4 H PHE 4 -4.096 4.568 -1.574
32 HA PHE 4 HA PHE 4 -2.536 2.141 -1.240
33 1HB PHE 4 1HB PHE 4 -2.551 4.460 -3.051
34 2HB PHE 4 2HB PHE 4 -0.937 3.943 -2.621
35 HD1 PHE 4 HD1 PHE 4 -4.197 2.870 -4.415
36 HD2 PHE 4 HD2 PHE 4 0.133 1.909 -3.604
37 HE1 PHE 4 HE1 PHE 4 -4.213 1.157 -6.349
38 HE2 PHE 4 HE2 PHE 4 0.114 0.208 -5.556
39 HZ PHE 4 HZ PHE 4 -2.055 -0.170 -6.934
40 H VAL 5 H VAL 5 -0.585 1.850 -0.278
41 HA VAL 5 HA VAL 5 0.802 3.958 1.169
42 HB VAL 5 HB VAL 5 1.147 2.396 3.232
43 1HG1 VAL 5 1HG1 VAL 5 -0.025 4.565 3.218
44 2HG1 VAL 5 2HG1 VAL 5 -1.544 3.706 2.960
45 3HG1 VAL 5 3HG1 VAL 5 -0.621 3.441 4.439
46 1HG2 VAL 5 1HG2 VAL 5 -0.144 0.394 2.299
47 2HG2 VAL 5 2HG2 VAL 5 -0.547 0.885 3.947
48 3HG2 VAL 5 3HG2 VAL 5 -1.614 1.318 2.610
49 H LYS 6 H LYS 6 2.849 3.955 0.669
50 HA LYS 6 HA LYS 6 4.271 1.481 -0.113
51 1HB LYS 6 1HB LYS 6 3.553 3.663 -1.787
52 2HB LYS 6 2HB LYS 6 5.287 3.793 -1.540
53 1HG LYS 6 1HG LYS 6 5.032 1.133 -2.127
54 2HG LYS 6 2HG LYS 6 3.718 1.817 -3.078
55 1HD LYS 6 1HD LYS 6 6.204 3.335 -3.406
56 2HD LYS 6 2HD LYS 6 6.426 1.630 -3.772
57 1HE LYS 6 2HE LYS 6 5.848 2.457 -5.835
58 2HE LYS 6 1HE LYS 6 4.273 1.949 -5.227
59 1HZ LYS 6 1HZ LYS 6 5.314 4.723 -5.024
60 2HZ LYS 6 2HZ LYS 6 4.296 4.186 -6.263
61 3HZ LYS 6 3HZ LYS 6 3.749 4.194 -4.662
62 H THR 7 H THR 7 6.456 1.287 0.295
63 HA THR 7 HA THR 7 7.859 3.351 1.832
64 HB THR 7 HB THR 7 7.230 1.813 3.572
65 HG1 THR 7 HG1 THR 7 9.976 1.498 2.964
66 1HG2 THR 7 1HG2 THR 7 7.980 -0.393 1.773
67 2HG2 THR 7 2HG2 THR 7 8.558 -0.575 3.429
68 3HG2 THR 7 3HG2 THR 7 6.835 -0.363 3.114
69 H LEU 8 H LEU 8 10.059 3.563 1.589
70 HA LEU 8 HA LEU 8 11.130 3.007 -1.026
71 1HB LEU 8 1HB LEU 8 11.669 4.817 1.176
72 2HB LEU 8 2HB LEU 8 13.170 4.149 0.571
73 HG LEU 8 HG LEU 8 11.782 4.920 -1.762
74 1HD1 LEU 8 1HD1 LEU 8 11.442 7.058 0.342
75 2HD1 LEU 8 2HD1 LEU 8 11.288 7.325 -1.395
76 3HD1 LEU 8 3HD1 LEU 8 10.169 6.239 -0.567
77 1HD2 LEU 8 1HD2 LEU 8 14.216 5.114 -1.299
78 2HD2 LEU 8 2HD2 LEU 8 13.516 6.538 -2.070
79 3HD2 LEU 8 3HD2 LEU 8 13.877 6.557 -0.344
80 H ASP 9 H ASP 9 11.203 1.078 1.754
81 HA ASP 9 HA ASP 9 13.804 -0.151 1.702
82 1HB ASP 9 1HB ASP 9 11.714 -0.134 3.500
83 2HB ASP 9 2HB ASP 9 11.654 -1.777 2.878
84 H GLY 10 H GLY 10 10.677 -0.975 0.172
85 1HA GLY 10 2HA GLY 10 11.862 -3.288 -1.272
86 2HA GLY 10 1HA GLY 10 10.868 -2.086 -2.074
87 H LYS 11 H LYS 11 8.698 -1.719 -0.528
88 HA LYS 11 HA LYS 11 7.216 -4.265 -0.621
89 1HB LYS 11 1HB LYS 11 7.330 -2.450 1.799
90 2HB LYS 11 2HB LYS 11 5.989 -3.535 1.533
91 1HG LYS 11 1HG LYS 11 7.095 -5.263 2.420
92 2HG LYS 11 2HG LYS 11 8.481 -5.001 1.371
93 1HD LYS 11 1HD LYS 11 9.648 -4.454 3.213
94 2HD LYS 11 2HD LYS 11 8.726 -2.960 3.273
95 1HE LYS 11 1HE LYS 11 7.660 -5.449 4.580
96 2HE LYS 11 2HE LYS 11 8.888 -4.476 5.387
97 1HZ LYS 11 1HZ LYS 11 7.406 -2.561 5.227
98 2HZ LYS 11 2HZ LYS 11 6.223 -3.517 4.486
99 3HZ LYS 11 3HZ LYS 11 6.681 -3.824 6.085
100 H THR 12 H THR 12 5.018 -4.115 -1.125
101 HA THR 12 HA THR 12 3.702 -1.518 -1.474
102 HB THR 12 HB THR 12 2.706 -2.350 -3.710
103 HG1 THR 12 HG1 THR 12 3.421 -4.225 -4.348
104 1HG2 THR 12 1HG2 THR 12 4.498 -0.515 -3.335
105 2HG2 THR 12 2HG2 THR 12 5.616 -1.703 -4.008
106 3HG2 THR 12 3HG2 THR 12 4.244 -1.144 -4.965
107 H ILE 13 H ILE 13 1.812 -1.505 -0.496
108 HA ILE 13 HA ILE 13 0.057 -3.842 -0.361
109 HB ILE 13 HB ILE 13 1.561 -3.921 1.658
110 1HG1 ILE 13 1HG1 ILE 13 -0.859 -3.764 3.235
111 2HG1 ILE 13 2HG1 ILE 13 -1.269 -4.352 1.633
112 1HG2 ILE 13 1HG2 ILE 13 0.227 -1.417 2.675
113 2HG2 ILE 13 2HG2 ILE 13 1.193 -2.517 3.658
114 3HG2 ILE 13 3HG2 ILE 13 1.937 -1.662 2.307
115 1HD1 ILE 13 1HD1 ILE 13 0.866 -5.554 3.381
116 2HD1 ILE 13 2HD1 ILE 13 -0.796 -6.137 3.283
117 3HD1 ILE 13 3HD1 ILE 13 0.247 -6.199 1.860
118 H THR 14 H THR 14 -2.069 -3.450 -0.568
119 HA THR 14 HA THR 14 -3.116 -0.681 -0.728
120 HB THR 14 HB THR 14 -5.029 -1.756 -2.093
121 HG1 THR 14 HG1 THR 14 -4.877 -3.849 -2.319
122 1HG2 THR 14 1HG2 THR 14 -2.254 -1.358 -3.116
123 2HG2 THR 14 2HG2 THR 14 -3.541 -1.898 -4.195
124 3HG2 THR 14 3HG2 THR 14 -3.698 -0.367 -3.336
125 H LEU 15 H LEU 15 -5.084 -0.092 0.191
126 HA LEU 15 HA LEU 15 -6.190 -1.874 2.258
127 1HB LEU 15 1HB LEU 15 -5.382 0.806 2.415
128 2HB LEU 15 2HB LEU 15 -7.127 0.907 2.342
129 HG LEU 15 HG LEU 15 -6.498 -1.126 4.272
130 1HD1 LEU 15 1HD1 LEU 15 -4.269 -0.158 4.467
131 2HD1 LEU 15 2HD1 LEU 15 -4.978 1.422 4.802
132 3HD1 LEU 15 3HD1 LEU 15 -5.212 0.092 5.936
133 1HD2 LEU 15 1HD2 LEU 15 -7.557 1.675 4.646
134 2HD2 LEU 15 2HD2 LEU 15 -8.508 0.218 4.354
135 3HD2 LEU 15 3HD2 LEU 15 -7.605 0.395 5.858
136 H GLU 16 H GLU 16 -7.656 -3.131 1.389
137 HA GLU 16 HA GLU 16 -9.842 -2.057 -0.284
138 1HB GLU 16 1HB GLU 16 -8.055 -4.409 -0.685
139 2HB GLU 16 2HB GLU 16 -9.737 -4.606 -1.149
140 1HG GLU 16 1HG GLU 16 -9.399 -2.423 -2.487
141 2HG GLU 16 2HG GLU 16 -7.678 -2.728 -2.271
142 H VAL 17 H VAL 17 -11.925 -2.789 0.007
143 HA VAL 17 HA VAL 17 -12.592 -4.053 2.553
144 HB VAL 17 HB VAL 17 -15.047 -3.518 1.940
145 1HG1 VAL 17 1HG1 VAL 17 -13.769 -2.341 3.634
146 2HG1 VAL 17 2HG1 VAL 17 -13.174 -1.215 2.414
147 3HG1 VAL 17 3HG1 VAL 17 -14.893 -1.265 2.804
148 1HG2 VAL 17 1HG2 VAL 17 -14.631 -2.923 -0.519
149 2HG2 VAL 17 2HG2 VAL 17 -15.620 -1.788 0.401
150 3HG2 VAL 17 3HG2 VAL 17 -13.931 -1.414 0.064
No H/Q in entry = 150
Start of MODEL 6
1 H1 MET 1 H1 MET 1 -13.894 1.229 -3.196
2 H2 MET 1 H2 MET 1 -14.254 1.058 -1.552
3 H3 MET 1 H3 MET 1 -14.874 2.370 -2.420
4 HA MET 1 HA MET 1 -12.715 3.302 -2.720
5 1HB MET 1 1HB MET 1 -14.144 3.169 -0.356
6 2HB MET 1 2HB MET 1 -12.528 2.719 0.166
7 1HG MET 1 2HG MET 1 -12.373 4.953 0.466
8 2HG MET 1 1HG MET 1 -11.888 4.894 -1.226
9 1HE MET 1 1HE MET 1 -14.751 5.449 1.285
10 2HE MET 1 2HE MET 1 -13.911 6.991 1.113
11 3HE MET 1 3HE MET 1 -15.584 6.834 0.576
12 H GLN 2 H GLN 2 -10.473 3.280 -2.602
13 HA GLN 2 HA GLN 2 -9.026 0.880 -1.731
14 1HB GLN 2 1HB GLN 2 -9.099 2.006 -4.499
15 2HB GLN 2 2HB GLN 2 -7.521 1.521 -3.896
16 1HG GLN 2 1HG GLN 2 -8.089 -0.710 -3.801
17 2HG GLN 2 2HG GLN 2 -9.815 -0.377 -3.679
18 2HE2 GLN 2 2HE2 GLN 2 -7.090 -0.754 -5.871
19 1HE2 GLN 2 1HE2 GLN 2 -8.030 -0.810 -7.319
20 H ILE 3 H ILE 3 -7.304 1.279 -0.520
21 HA ILE 3 HA ILE 3 -6.099 3.946 -0.471
22 HB ILE 3 HB ILE 3 -7.778 3.549 1.384
23 1HG1 ILE 3 1HG1 ILE 3 -5.622 4.333 3.111
24 2HG1 ILE 3 2HG1 ILE 3 -5.254 4.903 1.493
25 1HG2 ILE 3 1HG2 ILE 3 -6.767 1.174 1.995
26 2HG2 ILE 3 2HG2 ILE 3 -5.891 2.146 3.177
27 3HG2 ILE 3 3HG2 ILE 3 -7.655 2.170 3.150
28 1HD1 ILE 3 1HD1 ILE 3 -7.809 5.707 1.670
29 2HD1 ILE 3 2HD1 ILE 3 -7.353 5.761 3.374
30 3HD1 ILE 3 3HD1 ILE 3 -6.436 6.687 2.185
31 H PHE 4 H PHE 4 -4.072 3.977 -1.044
32 HA PHE 4 HA PHE 4 -2.344 1.596 -0.866
33 1HB PHE 4 1HB PHE 4 -2.774 3.683 -2.916
34 2HB PHE 4 2HB PHE 4 -1.089 3.289 -2.645
35 HD1 PHE 4 HD1 PHE 4 -4.462 1.938 -3.943
36 HD2 PHE 4 HD2 PHE 4 -0.055 1.110 -3.440
37 HE1 PHE 4 HE1 PHE 4 -4.635 -0.025 -5.611
38 HE2 PHE 4 HE2 PHE 4 -0.246 -0.864 -5.102
39 HZ PHE 4 HZ PHE 4 -2.531 -1.430 -6.196
40 H VAL 5 H VAL 5 -0.280 1.625 -0.097
41 HA VAL 5 HA VAL 5 0.973 4.045 0.955
42 HB VAL 5 HB VAL 5 1.688 2.805 3.123
43 1HG1 VAL 5 1HG1 VAL 5 0.252 4.781 3.035
44 2HG1 VAL 5 2HG1 VAL 5 -1.165 3.736 2.939
45 3HG1 VAL 5 3HG1 VAL 5 -0.146 3.712 4.378
46 1HG2 VAL 5 1HG2 VAL 5 0.775 0.543 2.744
47 2HG2 VAL 5 2HG2 VAL 5 0.064 1.275 4.180
48 3HG2 VAL 5 3HG2 VAL 5 -0.861 1.202 2.681
49 H LYS 6 H LYS 6 3.106 4.188 0.692
50 HA LYS 6 HA LYS 6 4.621 1.864 -0.321
51 1HB LYS 6 1HB LYS 6 4.035 4.148 -1.698
52 2HB LYS 6 2HB LYS 6 5.599 4.574 -1.020
53 1HG LYS 6 1HG LYS 6 6.720 2.921 -2.207
54 2HG LYS 6 2HG LYS 6 5.261 1.968 -2.466
55 1HD LYS 6 1HD LYS 6 4.612 3.176 -4.291
56 2HD LYS 6 2HD LYS 6 5.311 4.684 -3.697
57 1HE LYS 6 1HE LYS 6 7.507 4.010 -4.349
58 2HE LYS 6 2HE LYS 6 6.963 2.370 -4.703
59 1HZ LYS 6 1HZ LYS 6 5.551 3.327 -6.476
60 2HZ LYS 6 2HZ LYS 6 6.251 4.840 -6.187
61 3HZ LYS 6 3HZ LYS 6 7.205 3.559 -6.743
62 H THR 7 H THR 7 6.706 1.466 0.290
63 HA THR 7 HA THR 7 7.896 2.917 2.586
64 HB THR 7 HB THR 7 8.993 0.611 3.124
65 HG1 THR 7 HG1 THR 7 8.365 -0.696 1.507
66 1HG2 THR 7 1HG2 THR 7 6.161 1.372 3.738
67 2HG2 THR 7 2HG2 THR 7 6.836 -0.134 4.358
68 3HG2 THR 7 3HG2 THR 7 7.579 1.408 4.786
69 H LEU 8 H LEU 8 10.126 3.199 2.683
70 HA LEU 8 HA LEU 8 11.601 3.613 0.285
71 1HB LEU 8 1HB LEU 8 12.161 3.865 3.202
72 2HB LEU 8 2HB LEU 8 13.534 3.877 2.115
73 HG LEU 8 HG LEU 8 11.555 5.706 1.063
74 1HD1 LEU 8 1HD1 LEU 8 10.707 5.792 3.386
75 2HD1 LEU 8 2HD1 LEU 8 12.293 6.365 3.905
76 3HD1 LEU 8 3HD1 LEU 8 11.326 7.333 2.792
77 1HD2 LEU 8 1HD2 LEU 8 13.954 5.856 0.627
78 2HD2 LEU 8 2HD2 LEU 8 13.323 7.364 1.288
79 3HD2 LEU 8 3HD2 LEU 8 14.241 6.265 2.318
80 H ASP 9 H ASP 9 11.325 0.711 2.165
81 HA ASP 9 HA ASP 9 13.829 -0.608 1.646
82 1HB ASP 9 1HB ASP 9 11.282 -1.308 2.957
83 2HB ASP 9 2HB ASP 9 12.106 -2.669 2.207
84 H GLY 10 H GLY 10 10.674 -0.605 -0.044
85 1HA GLY 10 2HA GLY 10 11.803 -2.125 -2.331
86 2HA GLY 10 1HA GLY 10 10.622 -0.838 -2.478
87 H LYS 11 H LYS 11 8.649 -1.452 -0.704
88 HA LYS 11 HA LYS 11 7.357 -3.785 -1.882
89 1HB LYS 11 1HB LYS 11 6.441 -4.603 0.362
90 2HB LYS 11 2HB LYS 11 8.112 -4.977 0.024
91 1HG LYS 11 1HG LYS 11 8.543 -2.834 1.543
92 2HG LYS 11 2HG LYS 11 6.925 -3.210 2.133
93 1HD LYS 11 1HD LYS 11 7.963 -5.650 2.358
94 2HD LYS 11 2HD LYS 11 9.474 -4.746 2.410
95 1HE LYS 11 1HE LYS 11 9.002 -4.819 4.639
96 2HE LYS 11 2HE LYS 11 8.147 -3.334 4.229
97 1HZ LYS 11 1HZ LYS 11 6.850 -6.005 4.286
98 2HZ LYS 11 2HZ LYS 11 6.870 -4.952 5.610
99 3HZ LYS 11 3HZ LYS 11 6.094 -4.495 4.178
100 H THR 12 H THR 12 5.243 -3.582 -2.324
101 HA THR 12 HA THR 12 3.754 -1.193 -1.386
102 HB THR 12 HB THR 12 2.420 -1.457 -3.597
103 HG1 THR 12 HG1 THR 12 3.131 -2.878 -4.970
104 1HG2 THR 12 1HG2 THR 12 5.176 -0.295 -3.379
105 2HG2 THR 12 2HG2 THR 12 4.276 -0.190 -4.892
106 3HG2 THR 12 3HG2 THR 12 3.616 0.529 -3.423
107 H ILE 13 H ILE 13 1.727 -1.393 -0.592
108 HA ILE 13 HA ILE 13 0.116 -3.808 -0.859
109 HB ILE 13 HB ILE 13 -0.393 -3.940 1.649
110 1HG1 ILE 13 1HG1 ILE 13 2.301 -3.294 2.635
111 2HG1 ILE 13 2HG1 ILE 13 1.560 -1.859 1.945
112 1HG2 ILE 13 1HG2 ILE 13 2.233 -4.939 0.573
113 2HG2 ILE 13 2HG2 ILE 13 1.491 -5.511 2.068
114 3HG2 ILE 13 3HG2 ILE 13 0.660 -5.740 0.528
115 1HD1 ILE 13 1HD1 ILE 13 0.271 -3.570 4.060
116 2HD1 ILE 13 2HD1 ILE 13 1.212 -2.112 4.386
117 3HD1 ILE 13 3HD1 ILE 13 -0.289 -2.007 3.465
118 H THR 14 H THR 14 -2.061 -3.591 -0.686
119 HA THR 14 HA THR 14 -3.211 -1.001 0.075
120 HB THR 14 HB THR 14 -3.144 -0.881 -2.344
121 HG1 THR 14 HG1 THR 14 -4.909 0.169 -1.980
122 1HG2 THR 14 1HG2 THR 14 -3.253 -3.333 -2.954
123 2HG2 THR 14 2HG2 THR 14 -4.992 -3.266 -2.650
124 3HG2 THR 14 3HG2 THR 14 -4.279 -2.277 -3.926
125 H LEU 15 H LEU 15 -5.272 -0.914 0.936
126 HA LEU 15 HA LEU 15 -6.512 -3.422 1.871
127 1HB LEU 15 1HB LEU 15 -5.172 -1.668 3.475
128 2HB LEU 15 2HB LEU 15 -6.801 -1.036 3.596
129 HG LEU 15 HG LEU 15 -6.931 -3.903 3.975
130 1HD1 LEU 15 1HD1 LEU 15 -4.540 -3.691 4.616
131 2HD1 LEU 15 2HD1 LEU 15 -5.031 -2.602 5.913
132 3HD1 LEU 15 3HD1 LEU 15 -5.588 -4.275 5.909
133 1HD2 LEU 15 1HD2 LEU 15 -8.497 -2.140 4.846
134 2HD2 LEU 15 2HD2 LEU 15 -8.028 -3.379 6.011
135 3HD2 LEU 15 3HD2 LEU 15 -7.289 -1.780 6.080
136 H GLU 16 H GLU 16 -8.669 -3.658 1.718
137 HA GLU 16 HA GLU 16 -10.375 -1.445 0.755
138 1HB GLU 16 1HB GLU 16 -9.973 -4.180 -0.378
139 2HB GLU 16 2HB GLU 16 -11.594 -3.505 -0.445
140 1HG GLU 16 1HG GLU 16 -10.448 -1.444 -1.510
141 2HG GLU 16 2HG GLU 16 -9.090 -2.532 -1.779
142 H VAL 17 H VAL 17 -12.477 -1.295 1.462
143 HA VAL 17 HA VAL 17 -13.202 -2.701 3.913
144 HB VAL 17 HB VAL 17 -15.235 -1.102 3.982
145 1HG1 VAL 17 1HG1 VAL 17 -13.278 -0.948 5.431
146 2HG1 VAL 17 2HG1 VAL 17 -12.503 0.118 4.259
147 3HG1 VAL 17 3HG1 VAL 17 -13.980 0.631 5.075
148 1HG2 VAL 17 1HG2 VAL 17 -15.179 -0.172 1.673
149 2HG2 VAL 17 2HG2 VAL 17 -15.072 1.090 2.901
150 3HG2 VAL 17 3HG2 VAL 17 -13.627 0.584 2.028
No H/Q in entry = 150
Start of MODEL 7
1 H1 MET 1 H1 MET 1 -13.708 0.181 -1.169
2 H2 MET 1 H2 MET 1 -13.992 0.743 0.402
3 H3 MET 1 H3 MET 1 -14.939 1.304 -0.882
4 HA MET 1 HA MET 1 -13.316 2.619 -1.747
5 1HB MET 1 1HB MET 1 -12.262 3.926 0.168
6 2HB MET 1 2HB MET 1 -14.000 3.772 0.219
7 1HG MET 1 1HG MET 1 -13.402 3.546 2.450
8 2HG MET 1 2HG MET 1 -13.516 1.861 1.951
9 1HE MET 1 1HE MET 1 -11.216 4.885 2.559
10 2HE MET 1 2HE MET 1 -11.451 4.102 4.123
11 3HE MET 1 3HE MET 1 -9.848 4.135 3.384
12 H GLN 2 H GLN 2 -11.321 3.011 -2.557
13 HA GLN 2 HA GLN 2 -9.135 1.141 -1.907
14 1HB GLN 2 1HB GLN 2 -10.098 2.237 -4.513
15 2HB GLN 2 2HB GLN 2 -8.360 2.064 -4.325
16 1HG GLN 2 1HG GLN 2 -8.482 -0.251 -4.117
17 2HG GLN 2 2HG GLN 2 -10.203 -0.221 -3.732
18 2HE2 GLN 2 2HE2 GLN 2 -7.811 -0.128 -6.307
19 1HE2 GLN 2 1HE2 GLN 2 -8.931 -0.342 -7.605
20 H ILE 3 H ILE 3 -7.349 1.865 -1.044
21 HA ILE 3 HA ILE 3 -6.308 4.551 -1.393
22 HB ILE 3 HB ILE 3 -5.863 4.793 1.173
23 1HG1 ILE 3 1HG1 ILE 3 -8.496 3.825 2.022
24 2HG1 ILE 3 2HG1 ILE 3 -7.574 2.485 1.365
25 1HG2 ILE 3 1HG2 ILE 3 -7.164 6.326 -0.221
26 2HG2 ILE 3 2HG2 ILE 3 -8.618 5.380 0.094
27 3HG2 ILE 3 3HG2 ILE 3 -7.807 6.219 1.418
28 1HD1 ILE 3 1HD1 ILE 3 -6.191 4.210 3.325
29 2HD1 ILE 3 2HD1 ILE 3 -7.502 3.191 3.920
30 3HD1 ILE 3 3HD1 ILE 3 -6.123 2.463 3.094
31 H PHE 4 H PHE 4 -4.282 4.508 -1.812
32 HA PHE 4 HA PHE 4 -2.667 2.101 -1.506
33 1HB PHE 4 1HB PHE 4 -2.668 4.500 -3.245
34 2HB PHE 4 2HB PHE 4 -1.081 3.865 -2.873
35 HD1 PHE 4 HD1 PHE 4 -4.478 2.971 -4.565
36 HD2 PHE 4 HD2 PHE 4 -0.125 1.918 -4.039
37 HE1 PHE 4 HE1 PHE 4 -4.637 1.326 -6.552
38 HE2 PHE 4 HE2 PHE 4 -0.297 0.268 -6.030
39 HZ PHE 4 HZ PHE 4 -2.543 -0.023 -7.295
40 H VAL 5 H VAL 5 -0.703 1.866 -0.525
41 HA VAL 5 HA VAL 5 0.607 3.999 0.961
42 HB VAL 5 HB VAL 5 0.906 2.493 3.056
43 1HG1 VAL 5 1HG1 VAL 5 -0.278 4.608 3.053
44 2HG1 VAL 5 2HG1 VAL 5 -1.771 3.785 2.600
45 3HG1 VAL 5 3HG1 VAL 5 -1.021 3.455 4.162
46 1HG2 VAL 5 1HG2 VAL 5 -0.209 0.403 2.258
47 2HG2 VAL 5 2HG2 VAL 5 -0.911 1.022 3.752
48 3HG2 VAL 5 3HG2 VAL 5 -1.748 1.266 2.219
49 H LYS 6 H LYS 6 2.763 3.914 0.970
50 HA LYS 6 HA LYS 6 4.162 1.498 -0.008
51 1HB LYS 6 1HB LYS 6 3.940 3.904 -1.334
52 2HB LYS 6 2HB LYS 6 5.491 4.081 -0.529
53 1HG LYS 6 1HG LYS 6 6.449 2.304 -1.700
54 2HG LYS 6 2HG LYS 6 4.883 1.626 -2.146
55 1HD LYS 6 1HD LYS 6 4.517 3.256 -3.798
56 2HD LYS 6 2HD LYS 6 5.762 4.325 -3.148
57 1HE LYS 6 1HE LYS 6 7.502 2.935 -3.952
58 2HE LYS 6 2HE LYS 6 6.386 1.615 -4.300
59 1HZ LYS 6 1HZ LYS 6 6.314 4.240 -5.682
60 2HZ LYS 6 2HZ LYS 6 7.129 2.885 -6.281
61 3HZ LYS 6 3HZ LYS 6 5.449 2.845 -6.089
62 H THR 7 H THR 7 6.091 0.886 0.858
63 HA THR 7 HA THR 7 6.810 1.767 3.553
64 HB THR 7 HB THR 7 8.481 -0.199 3.375
65 HG1 THR 7 HG1 THR 7 8.557 -1.203 1.548
66 1HG2 THR 7 1HG2 THR 7 5.510 -0.750 3.287
67 2HG2 THR 7 2HG2 THR 7 6.733 -1.902 3.824
68 3HG2 THR 7 3HG2 THR 7 6.479 -0.404 4.721
69 H LEU 8 H LEU 8 8.246 1.759 0.287
70 HA LEU 8 HA LEU 8 9.878 2.876 -0.801
71 1HB LEU 8 1HB LEU 8 10.354 4.334 1.812
72 2HB LEU 8 2HB LEU 8 11.448 4.536 0.460
73 HG LEU 8 HG LEU 8 8.834 4.944 -0.604
74 1HD1 LEU 8 1HD1 LEU 8 7.973 5.280 1.647
75 2HD1 LEU 8 2HD1 LEU 8 9.196 6.514 1.945
76 3HD1 LEU 8 3HD1 LEU 8 7.949 6.787 0.728
77 1HD2 LEU 8 1HD2 LEU 8 10.964 6.964 0.097
78 2HD2 LEU 8 2HD2 LEU 8 10.827 6.066 -1.414
79 3HD2 LEU 8 3HD2 LEU 8 9.594 7.248 -0.977
80 H ASP 9 H ASP 9 10.568 0.813 1.868
81 HA ASP 9 HA ASP 9 13.406 0.421 1.571
82 1HB ASP 9 1HB ASP 9 11.596 -0.195 3.548
83 2HB ASP 9 2HB ASP 9 11.921 -1.777 2.851
84 H GLY 10 H GLY 10 10.509 -1.297 0.315
85 1HA GLY 10 2HA GLY 10 12.061 -3.376 -1.066
86 2HA GLY 10 1HA GLY 10 11.231 -2.215 -2.079
87 H LYS 11 H LYS 11 8.800 -1.912 -0.598
88 HA LYS 11 HA LYS 11 7.355 -4.378 -1.273
89 1HB LYS 11 1HB LYS 11 7.443 -3.193 1.489
90 2HB LYS 11 2HB LYS 11 5.945 -3.920 0.932
91 1HG LYS 11 1HG LYS 11 7.001 -6.048 0.664
92 2HG LYS 11 2HG LYS 11 8.592 -5.352 0.986
93 1HD LYS 11 1HD LYS 11 7.744 -4.685 3.248
94 2HD LYS 11 2HD LYS 11 6.283 -5.615 2.908
95 1HE LYS 11 1HE LYS 11 7.628 -7.627 2.627
96 2HE LYS 11 2HE LYS 11 9.091 -6.697 2.950
97 1HZ LYS 11 1HZ LYS 11 6.851 -7.019 4.870
98 2HZ LYS 11 2HZ LYS 11 8.269 -7.939 4.895
99 3HZ LYS 11 3HZ LYS 11 8.340 -6.272 5.168
100 H THR 12 H THR 12 5.260 -4.118 -1.987
101 HA THR 12 HA THR 12 3.839 -1.564 -1.851
102 HB THR 12 HB THR 12 3.219 -1.786 -4.369
103 HG1 THR 12 HG1 THR 12 4.642 -2.846 -5.675
104 1HG2 THR 12 1HG2 THR 12 4.673 0.008 -3.283
105 2HG2 THR 12 2HG2 THR 12 6.054 -0.895 -3.903
106 3HG2 THR 12 3HG2 THR 12 4.862 -0.230 -5.020
107 H ILE 13 H ILE 13 1.839 -1.911 -1.225
108 HA ILE 13 HA ILE 13 0.112 -4.054 -2.137
109 HB ILE 13 HB ILE 13 -0.601 -4.677 0.303
110 1HG1 ILE 13 1HG1 ILE 13 2.158 -4.780 1.344
111 2HG1 ILE 13 2HG1 ILE 13 1.663 -3.118 1.076
112 1HG2 ILE 13 1HG2 ILE 13 1.839 -5.860 -1.005
113 2HG2 ILE 13 2HG2 ILE 13 0.923 -6.635 0.289
114 3HG2 ILE 13 3HG2 ILE 13 0.149 -6.304 -1.263
115 1HD1 ILE 13 1HD1 ILE 13 0.010 -5.052 2.673
116 2HD1 ILE 13 2HD1 ILE 13 1.285 -4.062 3.386
117 3HD1 ILE 13 3HD1 ILE 13 -0.110 -3.292 2.624
118 H THR 14 H THR 14 -2.054 -3.665 -2.025
119 HA THR 14 HA THR 14 -2.951 -0.947 -1.474
120 HB THR 14 HB THR 14 -5.226 -1.826 -2.297
121 HG1 THR 14 HG1 THR 14 -5.332 -3.805 -3.176
122 1HG2 THR 14 1HG2 THR 14 -3.369 -0.619 -3.672
123 2HG2 THR 14 2HG2 THR 14 -3.246 -2.184 -4.479
124 3HG2 THR 14 3HG2 THR 14 -4.785 -1.316 -4.459
125 H LEU 15 H LEU 15 -4.482 -0.240 -0.033
126 HA LEU 15 HA LEU 15 -5.289 -2.039 2.150
127 1HB LEU 15 1HB LEU 15 -3.832 0.278 2.381
128 2HB LEU 15 2HB LEU 15 -5.455 0.883 2.636
129 HG LEU 15 HG LEU 15 -5.161 -1.474 4.267
130 1HD1 LEU 15 1HD1 LEU 15 -2.717 -1.052 4.062
131 2HD1 LEU 15 2HD1 LEU 15 -2.973 0.514 4.834
132 3HD1 LEU 15 3HD1 LEU 15 -3.336 -0.973 5.711
133 1HD2 LEU 15 1HD2 LEU 15 -6.670 0.373 4.770
134 2HD2 LEU 15 2HD2 LEU 15 -5.588 0.048 6.124
135 3HD2 LEU 15 3HD2 LEU 15 -5.291 1.430 5.071
136 H GLU 16 H GLU 16 -7.179 -2.848 1.694
137 HA GLU 16 HA GLU 16 -9.446 -1.173 0.809
138 1HB GLU 16 1HB GLU 16 -8.385 -3.734 -0.288
139 2HB GLU 16 2HB GLU 16 -10.132 -3.556 -0.244
140 1HG GLU 16 1HG GLU 16 -9.637 -1.268 -1.421
141 2HG GLU 16 2HG GLU 16 -8.103 -2.032 -1.830
142 H VAL 17 H VAL 17 -11.498 -1.586 1.628
143 HA VAL 17 HA VAL 17 -11.684 -2.980 4.179
144 HB VAL 17 HB VAL 17 -14.096 -2.060 4.280
145 1HG1 VAL 17 1HG1 VAL 17 -12.304 -1.196 5.629
146 2HG1 VAL 17 2HG1 VAL 17 -11.794 -0.128 4.322
147 3HG1 VAL 17 3HG1 VAL 17 -13.357 0.114 5.101
148 1HG2 VAL 17 1HG2 VAL 17 -14.472 -1.342 1.946
149 2HG2 VAL 17 2HG2 VAL 17 -14.619 0.019 3.057
150 3HG2 VAL 17 3HG2 VAL 17 -13.158 -0.175 2.084
No H/Q in entry = 150
Start of MODEL 8
1 H1 MET 1 H1 MET 1 -13.974 1.402 -3.127
2 H2 MET 1 H2 MET 1 -14.252 1.096 -1.488
3 H3 MET 1 H3 MET 1 -14.922 2.468 -2.218
4 HA MET 1 HA MET 1 -12.746 3.398 -2.586
5 1HB MET 1 1HB MET 1 -14.154 3.232 -0.219
6 2HB MET 1 2HB MET 1 -12.543 2.745 0.287
7 1HG MET 1 1HG MET 1 -11.617 4.813 -0.234
8 2HG MET 1 2HG MET 1 -12.950 5.251 -1.303
9 1HE MET 1 1HE MET 1 -15.395 5.754 -0.430
10 2HE MET 1 2HE MET 1 -15.465 6.964 0.853
11 3HE MET 1 3HE MET 1 -14.415 7.217 -0.542
12 H GLN 2 H GLN 2 -10.504 3.359 -2.490
13 HA GLN 2 HA GLN 2 -9.062 0.931 -1.695
14 1HB GLN 2 1HB GLN 2 -9.156 2.125 -4.433
15 2HB GLN 2 2HB GLN 2 -7.577 1.610 -3.858
16 1HG GLN 2 1HG GLN 2 -8.153 -0.613 -3.838
17 2HG GLN 2 2HG GLN 2 -9.873 -0.282 -3.649
18 2HE2 GLN 2 2HE2 GLN 2 -7.223 -0.595 -5.939
19 1HE2 GLN 2 1HE2 GLN 2 -8.208 -0.601 -7.357
20 H ILE 3 H ILE 3 -7.330 1.291 -0.490
21 HA ILE 3 HA ILE 3 -6.094 3.943 -0.401
22 HB ILE 3 HB ILE 3 -7.772 3.539 1.456
23 1HG1 ILE 3 1HG1 ILE 3 -5.595 4.265 3.185
24 2HG1 ILE 3 2HG1 ILE 3 -5.230 4.858 1.575
25 1HG2 ILE 3 1HG2 ILE 3 -5.863 1.487 2.487
26 2HG2 ILE 3 2HG2 ILE 3 -6.861 2.428 3.600
27 3HG2 ILE 3 3HG2 ILE 3 -7.621 1.439 2.353
28 1HD1 ILE 3 1HD1 ILE 3 -7.748 5.714 1.746
29 2HD1 ILE 3 2HD1 ILE 3 -7.348 5.684 3.464
30 3HD1 ILE 3 3HD1 ILE 3 -6.375 6.644 2.349
31 H PHE 4 H PHE 4 -4.063 3.951 -0.979
32 HA PHE 4 HA PHE 4 -2.389 1.530 -0.869
33 1HB PHE 4 1HB PHE 4 -2.770 3.689 -2.849
34 2HB PHE 4 2HB PHE 4 -1.093 3.255 -2.590
35 HD1 PHE 4 HD1 PHE 4 -4.493 1.999 -3.922
36 HD2 PHE 4 HD2 PHE 4 -0.097 1.089 -3.458
37 HE1 PHE 4 HE1 PHE 4 -4.702 0.089 -5.646
38 HE2 PHE 4 HE2 PHE 4 -0.327 -0.834 -5.177
39 HZ PHE 4 HZ PHE 4 -2.622 -1.332 -6.278
40 H VAL 5 H VAL 5 -0.327 1.475 -0.104
41 HA VAL 5 HA VAL 5 0.954 3.826 1.083
42 HB VAL 5 HB VAL 5 1.711 2.415 3.128
43 1HG1 VAL 5 1HG1 VAL 5 0.253 4.380 3.218
44 2HG1 VAL 5 2HG1 VAL 5 -1.153 3.325 3.077
45 3HG1 VAL 5 3HG1 VAL 5 -0.098 3.205 4.485
46 1HG2 VAL 5 1HG2 VAL 5 -0.804 0.808 2.540
47 2HG2 VAL 5 2HG2 VAL 5 0.843 0.184 2.630
48 3HG2 VAL 5 3HG2 VAL 5 0.055 0.811 4.080
49 H LYS 6 H LYS 6 3.087 4.000 0.813
50 HA LYS 6 HA LYS 6 4.619 1.760 -0.355
51 1HB LYS 6 1HB LYS 6 3.947 4.072 -1.647
52 2HB LYS 6 2HB LYS 6 5.516 4.512 -0.991
53 1HG LYS 6 1HG LYS 6 6.647 2.929 -2.257
54 2HG LYS 6 2HG LYS 6 5.207 1.946 -2.509
55 1HD LYS 6 1HD LYS 6 4.441 3.243 -4.244
56 2HD LYS 6 2HD LYS 6 5.228 4.708 -3.657
57 1HE LYS 6 1HE LYS 6 7.354 3.977 -4.449
58 2HE LYS 6 2HE LYS 6 6.738 2.360 -4.793
59 1HZ LYS 6 1HZ LYS 6 5.892 4.849 -6.177
60 2HZ LYS 6 2HZ LYS 6 6.958 3.694 -6.803
61 3HZ LYS 6 3HZ LYS 6 5.341 3.286 -6.522
62 H THR 7 H THR 7 6.722 1.392 0.212
63 HA THR 7 HA THR 7 7.907 2.806 2.535
64 HB THR 7 HB THR 7 9.099 0.551 2.985
65 HG1 THR 7 HG1 THR 7 8.583 -0.779 1.373
66 1HG2 THR 7 1HG2 THR 7 6.238 1.146 3.624
67 2HG2 THR 7 2HG2 THR 7 6.953 -0.380 4.147
68 3HG2 THR 7 3HG2 THR 7 7.650 1.152 4.681
69 H LEU 8 H LEU 8 10.127 3.180 2.600
70 HA LEU 8 HA LEU 8 11.539 3.682 0.165
71 1HB LEU 8 1HB LEU 8 11.962 4.139 3.045
72 2HB LEU 8 2HB LEU 8 13.444 3.944 2.135
73 HG LEU 8 HG LEU 8 11.850 5.772 0.628
74 1HD1 LEU 8 1HD1 LEU 8 11.849 6.486 3.556
75 2HD1 LEU 8 2HD1 LEU 8 11.526 7.622 2.245
76 3HD1 LEU 8 3HD1 LEU 8 10.448 6.250 2.510
77 1HD2 LEU 8 1HD2 LEU 8 14.307 5.759 0.779
78 2HD2 LEU 8 2HD2 LEU 8 13.619 7.358 1.058
79 3HD2 LEU 8 3HD2 LEU 8 14.195 6.395 2.420
80 H ASP 9 H ASP 9 11.468 0.820 2.148
81 HA ASP 9 HA ASP 9 14.026 -0.364 1.558
82 1HB ASP 9 1HB ASP 9 11.543 -1.255 2.948
83 2HB ASP 9 2HB ASP 9 12.622 -2.510 2.354
84 H GLY 10 H GLY 10 10.777 -0.655 0.071
85 1HA GLY 10 2HA GLY 10 11.842 -2.330 -2.142
86 2HA GLY 10 1HA GLY 10 10.735 -0.995 -2.398
87 H LYS 11 H LYS 11 8.734 -1.305 -0.614
88 HA LYS 11 HA LYS 11 7.369 -3.790 -1.411
89 1HB LYS 11 1HB LYS 11 8.039 -2.998 1.350
90 2HB LYS 11 2HB LYS 11 6.339 -3.361 1.131
91 1HG LYS 11 1HG LYS 11 6.756 -5.528 1.303
92 2HG LYS 11 2HG LYS 11 7.768 -5.465 -0.132
93 1HD LYS 11 1HD LYS 11 9.553 -5.974 1.115
94 2HD LYS 11 2HD LYS 11 9.371 -4.468 2.004
95 1HE LYS 11 1HE LYS 11 9.292 -5.953 3.739
96 2HE LYS 11 2HE LYS 11 7.574 -5.896 3.346
97 1HZ LYS 11 1HZ LYS 11 9.468 -7.938 2.306
98 2HZ LYS 11 2HZ LYS 11 8.451 -8.170 3.639
99 3HZ LYS 11 3HZ LYS 11 7.788 -7.918 2.103
100 H THR 12 H THR 12 5.187 -3.671 -1.797
101 HA THR 12 HA THR 12 3.666 -1.194 -1.344
102 HB THR 12 HB THR 12 2.621 -1.524 -3.705
103 HG1 THR 12 HG1 THR 12 3.593 -3.357 -4.445
104 1HG2 THR 12 1HG2 THR 12 3.912 0.461 -3.098
105 2HG2 THR 12 2HG2 THR 12 5.412 -0.386 -3.474
106 3HG2 THR 12 3HG2 THR 12 4.256 -0.028 -4.757
107 H ILE 13 H ILE 13 1.684 -1.510 -0.576
108 HA ILE 13 HA ILE 13 0.063 -3.874 -1.081
109 HB ILE 13 HB ILE 13 -0.490 -4.219 1.412
110 1HG1 ILE 13 1HG1 ILE 13 2.236 -3.751 2.432
111 2HG1 ILE 13 2HG1 ILE 13 1.511 -2.240 1.911
112 1HG2 ILE 13 1HG2 ILE 13 2.115 -5.209 0.275
113 2HG2 ILE 13 2HG2 ILE 13 1.305 -5.906 1.678
114 3HG2 ILE 13 3HG2 ILE 13 0.515 -5.931 0.101
115 1HD1 ILE 13 1HD1 ILE 13 0.154 -4.128 3.814
116 2HD1 ILE 13 2HD1 ILE 13 1.221 -2.824 4.336
117 3HD1 ILE 13 3HD1 ILE 13 -0.267 -2.450 3.464
118 H THR 14 H THR 14 -2.114 -3.637 -0.926
119 HA THR 14 HA THR 14 -3.216 -1.074 0.003
120 HB THR 14 HB THR 14 -3.194 -0.878 -2.413
121 HG1 THR 14 HG1 THR 14 -5.195 -0.119 -2.607
122 1HG2 THR 14 1HG2 THR 14 -3.349 -3.316 -3.086
123 2HG2 THR 14 2HG2 THR 14 -5.081 -3.227 -2.762
124 3HG2 THR 14 3HG2 THR 14 -4.367 -2.213 -4.018
125 H LEU 15 H LEU 15 -5.275 -0.976 0.884
126 HA LEU 15 HA LEU 15 -6.540 -3.483 1.785
127 1HB LEU 15 1HB LEU 15 -5.163 -1.776 3.405
128 2HB LEU 15 2HB LEU 15 -6.781 -1.121 3.549
129 HG LEU 15 HG LEU 15 -6.951 -3.990 3.887
130 1HD1 LEU 15 1HD1 LEU 15 -4.907 -2.699 5.685
131 2HD1 LEU 15 2HD1 LEU 15 -5.636 -4.285 5.933
132 3HD1 LEU 15 3HD1 LEU 15 -4.620 -3.993 4.522
133 1HD2 LEU 15 1HD2 LEU 15 -8.492 -2.236 4.796
134 2HD2 LEU 15 2HD2 LEU 15 -8.008 -3.474 5.956
135 3HD2 LEU 15 3HD2 LEU 15 -7.265 -1.876 6.010
136 H GLU 16 H GLU 16 -8.707 -3.683 1.648
137 HA GLU 16 HA GLU 16 -10.383 -1.425 0.733
138 1HB GLU 16 1HB GLU 16 -10.033 -4.148 -0.442
139 2HB GLU 16 2HB GLU 16 -11.647 -3.456 -0.478
140 1HG GLU 16 1HG GLU 16 -10.501 -1.393 -1.532
141 2HG GLU 16 2HG GLU 16 -9.151 -2.483 -1.829
142 H VAL 17 H VAL 17 -12.473 -1.246 1.461
143 HA VAL 17 HA VAL 17 -13.320 -2.948 3.718
144 HB VAL 17 HB VAL 17 -14.917 -1.014 4.354
145 1HG1 VAL 17 1HG1 VAL 17 -11.954 -0.702 4.734
146 2HG1 VAL 17 2HG1 VAL 17 -13.192 0.115 5.687
147 3HG1 VAL 17 3HG1 VAL 17 -13.068 -1.643 5.725
148 1HG2 VAL 17 1HG2 VAL 17 -14.583 0.436 2.304
149 2HG2 VAL 17 2HG2 VAL 17 -14.362 1.275 3.841
150 3HG2 VAL 17 3HG2 VAL 17 -12.958 0.787 2.892
No H/Q in entry = 150
Start of MODEL 9
1 H1 MET 1 H1 MET 1 -13.939 1.250 -2.860
2 H2 MET 1 H2 MET 1 -14.209 0.944 -1.218
3 H3 MET 1 H3 MET 1 -14.893 2.307 -1.948
4 HA MET 1 HA MET 1 -12.752 3.282 -2.302
5 1HB MET 1 1HB MET 1 -14.088 3.005 0.101
6 2HB MET 1 2HB MET 1 -12.450 2.550 0.542
7 1HG MET 1 1HG MET 1 -11.612 4.649 0.158
8 2HG MET 1 2HG MET 1 -12.879 5.068 -0.994
9 1HE MET 1 1HE MET 1 -11.872 4.479 2.618
10 2HE MET 1 2HE MET 1 -11.616 6.208 2.373
11 3HE MET 1 3HE MET 1 -12.841 5.653 3.514
12 H GLN 2 H GLN 2 -10.513 3.282 -2.272
13 HA GLN 2 HA GLN 2 -9.001 0.862 -1.588
14 1HB GLN 2 1HB GLN 2 -9.203 2.129 -4.287
15 2HB GLN 2 2HB GLN 2 -7.594 1.642 -3.773
16 1HG GLN 2 1HG GLN 2 -8.123 -0.600 -3.771
17 2HG GLN 2 2HG GLN 2 -9.848 -0.304 -3.571
18 2HE2 GLN 2 2HE2 GLN 2 -7.197 -0.516 -5.874
19 1HE2 GLN 2 1HE2 GLN 2 -8.188 -0.514 -7.289
20 H ILE 3 H ILE 3 -7.243 1.226 -0.422
21 HA ILE 3 HA ILE 3 -6.065 3.902 -0.292
22 HB ILE 3 HB ILE 3 -7.673 3.404 1.603
23 1HG1 ILE 3 1HG1 ILE 3 -5.454 4.135 3.279
24 2HG1 ILE 3 2HG1 ILE 3 -5.164 4.786 1.675
25 1HG2 ILE 3 1HG2 ILE 3 -5.682 1.373 2.513
26 2HG2 ILE 3 2HG2 ILE 3 -6.665 2.256 3.684
27 3HG2 ILE 3 3HG2 ILE 3 -7.441 1.283 2.435
28 1HD1 ILE 3 1HD1 ILE 3 -7.715 5.550 1.993
29 2HD1 ILE 3 2HD1 ILE 3 -7.198 5.518 3.680
30 3HD1 ILE 3 3HD1 ILE 3 -6.334 6.518 2.511
31 H PHE 4 H PHE 4 -4.058 3.979 -0.933
32 HA PHE 4 HA PHE 4 -2.304 1.609 -0.908
33 1HB PHE 4 1HB PHE 4 -2.816 3.773 -2.866
34 2HB PHE 4 2HB PHE 4 -1.127 3.350 -2.681
35 HD1 PHE 4 HD1 PHE 4 -4.582 2.046 -3.843
36 HD2 PHE 4 HD2 PHE 4 -0.148 1.232 -3.640
37 HE1 PHE 4 HE1 PHE 4 -4.846 0.150 -5.576
38 HE2 PHE 4 HE2 PHE 4 -0.431 -0.675 -5.366
39 HZ PHE 4 HZ PHE 4 -2.775 -1.215 -6.342
40 H VAL 5 H VAL 5 -0.248 1.618 -0.153
41 HA VAL 5 HA VAL 5 1.048 4.014 0.897
42 HB VAL 5 HB VAL 5 1.767 2.759 3.056
43 1HG1 VAL 5 1HG1 VAL 5 0.358 4.762 2.973
44 2HG1 VAL 5 2HG1 VAL 5 -1.073 3.733 2.917
45 3HG1 VAL 5 3HG1 VAL 5 -0.023 3.707 4.333
46 1HG2 VAL 5 1HG2 VAL 5 0.726 0.514 2.568
47 2HG2 VAL 5 2HG2 VAL 5 0.260 1.199 4.126
48 3HG2 VAL 5 3HG2 VAL 5 -0.862 1.262 2.767
49 H LYS 6 H LYS 6 3.179 4.123 0.615
50 HA LYS 6 HA LYS 6 4.661 1.766 -0.376
51 1HB LYS 6 1HB LYS 6 4.060 4.015 -1.813
52 2HB LYS 6 2HB LYS 6 5.642 4.442 -1.183
53 1HG LYS 6 1HG LYS 6 6.710 2.703 -2.319
54 2HG LYS 6 2HG LYS 6 5.209 1.815 -2.572
55 1HD LYS 6 1HD LYS 6 4.581 3.092 -4.377
56 2HD LYS 6 2HD LYS 6 5.450 4.523 -3.821
57 1HE LYS 6 1HE LYS 6 7.537 3.638 -4.535
58 2HE LYS 6 2HE LYS 6 6.840 2.042 -4.815
59 1HZ LYS 6 1HZ LYS 6 5.499 3.004 -6.601
60 2HZ LYS 6 2HZ LYS 6 6.227 4.510 -6.350
61 3HZ LYS 6 3HZ LYS 6 7.153 3.203 -6.892
62 H THR 7 H THR 7 6.746 1.375 0.230
63 HA THR 7 HA THR 7 7.948 2.884 2.484
64 HB THR 7 HB THR 7 9.120 0.638 3.026
65 HG1 THR 7 HG1 THR 7 8.448 -0.511 1.179
66 1HG2 THR 7 1HG2 THR 7 6.257 1.269 3.624
67 2HG2 THR 7 2HG2 THR 7 6.967 -0.233 4.215
68 3HG2 THR 7 3HG2 THR 7 7.662 1.318 4.688
69 H LEU 8 H LEU 8 10.171 3.241 2.543
70 HA LEU 8 HA LEU 8 11.588 3.648 0.098
71 1HB LEU 8 1HB LEU 8 12.164 4.058 2.994
72 2HB LEU 8 2HB LEU 8 13.524 4.083 1.890
73 HG LEU 8 HG LEU 8 11.452 5.768 0.780
74 1HD1 LEU 8 1HD1 LEU 8 10.594 5.948 3.073
75 2HD1 LEU 8 2HD1 LEU 8 12.167 6.547 3.599
76 3HD1 LEU 8 3HD1 LEU 8 11.207 7.480 2.451
77 1HD2 LEU 8 1HD2 LEU 8 13.827 6.017 0.302
78 2HD2 LEU 8 2HD2 LEU 8 13.143 7.519 0.920
79 3HD2 LEU 8 3HD2 LEU 8 14.125 6.499 1.972
80 H ASP 9 H ASP 9 11.475 0.830 2.128
81 HA ASP 9 HA ASP 9 14.027 -0.388 1.575
82 1HB ASP 9 1HB ASP 9 11.546 -1.214 2.998
83 2HB ASP 9 2HB ASP 9 12.586 -2.503 2.409
84 H GLY 10 H GLY 10 10.758 -0.722 0.120
85 1HA GLY 10 2HA GLY 10 11.814 -2.439 -2.066
86 2HA GLY 10 1HA GLY 10 10.724 -1.096 -2.355
87 H LYS 11 H LYS 11 8.701 -1.309 -0.630
88 HA LYS 11 HA LYS 11 7.322 -3.826 -1.307
89 1HB LYS 11 1HB LYS 11 7.658 -2.691 1.463
90 2HB LYS 11 2HB LYS 11 6.206 -3.591 1.068
91 1HG LYS 11 1HG LYS 11 7.236 -5.551 1.310
92 2HG LYS 11 2HG LYS 11 8.550 -5.084 0.243
93 1HD LYS 11 1HD LYS 11 9.929 -5.051 2.004
94 2HD LYS 11 2HD LYS 11 9.031 -3.694 2.668
95 1HE LYS 11 1HE LYS 11 7.447 -5.581 3.579
96 2HE LYS 11 2HE LYS 11 8.861 -6.605 3.338
97 1HZ LYS 11 1HZ LYS 11 10.116 -4.968 4.711
98 2HZ LYS 11 2HZ LYS 11 8.649 -4.203 5.063
99 3HZ LYS 11 3HZ LYS 11 8.909 -5.800 5.554
100 H THR 12 H THR 12 5.129 -3.707 -1.703
101 HA THR 12 HA THR 12 3.638 -1.194 -1.391
102 HB THR 12 HB THR 12 2.586 -1.627 -3.729
103 HG1 THR 12 HG1 THR 12 3.593 -2.941 -5.064
104 1HG2 THR 12 1HG2 THR 12 5.330 -0.443 -3.354
105 2HG2 THR 12 2HG2 THR 12 4.452 -0.338 -4.881
106 3HG2 THR 12 3HG2 THR 12 3.778 0.391 -3.423
107 H ILE 13 H ILE 13 1.664 -1.453 -0.584
108 HA ILE 13 HA ILE 13 0.040 -3.847 -0.949
109 HB ILE 13 HB ILE 13 -0.509 -4.044 1.553
110 1HG1 ILE 13 1HG1 ILE 13 2.196 -3.442 2.562
111 2HG1 ILE 13 2HG1 ILE 13 1.437 -1.987 1.939
112 1HG2 ILE 13 1HG2 ILE 13 2.111 -5.048 0.466
113 2HG2 ILE 13 2HG2 ILE 13 1.367 -5.644 1.950
114 3HG2 ILE 13 3HG2 ILE 13 0.532 -5.832 0.406
115 1HD1 ILE 13 1HD1 ILE 13 0.135 -3.788 3.964
116 2HD1 ILE 13 2HD1 ILE 13 1.132 -2.395 4.387
117 3HD1 ILE 13 3HD1 ILE 13 -0.365 -2.166 3.481
118 H THR 14 H THR 14 -2.141 -3.611 -0.799
119 HA THR 14 HA THR 14 -3.272 -1.032 0.025
120 HB THR 14 HB THR 14 -3.170 -0.837 -2.389
121 HG1 THR 14 HG1 THR 14 -5.848 -1.241 -1.539
122 1HG2 THR 14 1HG2 THR 14 -3.270 -3.225 -3.128
123 2HG2 THR 14 2HG2 THR 14 -4.996 -3.237 -2.752
124 3HG2 THR 14 3HG2 THR 14 -4.373 -2.171 -4.013
125 H LEU 15 H LEU 15 -5.330 -0.944 0.877
126 HA LEU 15 HA LEU 15 -6.592 -3.467 1.746
127 1HB LEU 15 1HB LEU 15 -5.303 -1.715 3.383
128 2HB LEU 15 2HB LEU 15 -6.933 -1.080 3.461
129 HG LEU 15 HG LEU 15 -7.101 -3.936 3.842
130 1HD1 LEU 15 1HD1 LEU 15 -4.723 -3.805 4.504
131 2HD1 LEU 15 2HD1 LEU 15 -5.171 -2.666 5.774
132 3HD1 LEU 15 3HD1 LEU 15 -5.790 -4.317 5.812
133 1HD2 LEU 15 1HD2 LEU 15 -8.674 -2.222 4.707
134 2HD2 LEU 15 2HD2 LEU 15 -8.149 -3.381 5.927
135 3HD2 LEU 15 3HD2 LEU 15 -7.457 -1.759 5.898
136 H GLU 16 H GLU 16 -8.750 -3.716 1.575
137 HA GLU 16 HA GLU 16 -10.452 -1.527 0.553
138 1HB GLU 16 1HB GLU 16 -10.018 -4.279 -0.516
139 2HB GLU 16 2HB GLU 16 -11.647 -3.631 -0.604
140 1HG GLU 16 1HG GLU 16 -10.650 -1.618 -1.770
141 2HG GLU 16 2HG GLU 16 -9.147 -2.530 -1.876
142 H VAL 17 H VAL 17 -12.554 -1.360 1.245
143 HA VAL 17 HA VAL 17 -13.502 -3.143 3.403
144 HB VAL 17 HB VAL 17 -14.870 -1.142 4.304
145 1HG1 VAL 17 1HG1 VAL 17 -12.953 -2.221 5.424
146 2HG1 VAL 17 2HG1 VAL 17 -11.897 -1.000 4.713
147 3HG1 VAL 17 3HG1 VAL 17 -13.164 -0.521 5.843
148 1HG2 VAL 17 1HG2 VAL 17 -14.439 0.540 2.504
149 2HG2 VAL 17 2HG2 VAL 17 -13.984 1.121 4.106
150 3HG2 VAL 17 3HG2 VAL 17 -12.741 0.576 2.977
No H/Q in entry = 150
Start of MODEL 10
1 H1 MET 1 H1 MET 1 -13.687 0.520 0.732
2 H2 MET 1 H2 MET 1 -14.822 1.660 0.205
3 H3 MET 1 H3 MET 1 -14.052 0.653 -0.913
4 HA MET 1 HA MET 1 -13.112 2.851 -1.002
5 1HB MET 1 1HB MET 1 -13.628 2.840 1.707
6 2HB MET 1 2HB MET 1 -11.881 2.680 1.681
7 1HG MET 1 1HG MET 1 -11.555 4.787 0.907
8 2HG MET 1 2HG MET 1 -13.058 4.810 -0.016
9 1HE MET 1 1HE MET 1 -11.287 5.074 3.261
10 2HE MET 1 2HE MET 1 -11.510 6.784 2.887
11 3HE MET 1 3HE MET 1 -12.319 6.075 4.285
12 H GLN 2 H GLN 2 -11.044 3.121 -1.755
13 HA GLN 2 HA GLN 2 -8.993 1.073 -1.266
14 1HB GLN 2 1HB GLN 2 -10.390 1.164 -3.636
15 2HB GLN 2 2HB GLN 2 -9.009 2.175 -4.015
16 1HG GLN 2 1HG GLN 2 -8.345 -0.393 -2.736
17 2HG GLN 2 2HG GLN 2 -9.093 -0.516 -4.324
18 2HE2 GLN 2 2HE2 GLN 2 -7.963 0.277 -6.167
19 1HE2 GLN 2 1HE2 GLN 2 -6.279 0.650 -6.085
20 H ILE 3 H ILE 3 -7.077 1.808 -0.704
21 HA ILE 3 HA ILE 3 -5.975 4.362 -1.511
22 HB ILE 3 HB ILE 3 -5.268 4.972 0.916
23 1HG1 ILE 3 1HG1 ILE 3 -7.810 4.234 2.184
24 2HG1 ILE 3 2HG1 ILE 3 -6.976 2.782 1.660
25 1HG2 ILE 3 1HG2 ILE 3 -6.755 6.254 -0.614
26 2HG2 ILE 3 2HG2 ILE 3 -8.140 5.504 0.178
27 3HG2 ILE 3 3HG2 ILE 3 -7.052 6.540 1.102
28 1HD1 ILE 3 1HD1 ILE 3 -5.542 4.852 3.273
29 2HD1 ILE 3 2HD1 ILE 3 -6.593 3.662 4.040
30 3HD1 ILE 3 3HD1 ILE 3 -5.197 3.131 3.102
31 H PHE 4 H PHE 4 -3.965 4.215 -2.028
32 HA PHE 4 HA PHE 4 -2.418 1.784 -1.594
33 1HB PHE 4 1HB PHE 4 -2.414 4.047 -3.507
34 2HB PHE 4 2HB PHE 4 -0.832 3.389 -3.152
35 HD1 PHE 4 HD1 PHE 4 -4.311 2.523 -4.665
36 HD2 PHE 4 HD2 PHE 4 0.002 1.297 -4.184
37 HE1 PHE 4 HE1 PHE 4 -4.607 0.752 -6.520
38 HE2 PHE 4 HE2 PHE 4 -0.302 -0.467 -6.057
39 HZ PHE 4 HZ PHE 4 -2.602 -0.739 -7.230
40 H VAL 5 H VAL 5 -0.398 1.561 -0.678
41 HA VAL 5 HA VAL 5 0.967 3.786 0.632
42 HB VAL 5 HB VAL 5 1.386 2.363 2.763
43 1HG1 VAL 5 1HG1 VAL 5 0.133 4.464 2.683
44 2HG1 VAL 5 2HG1 VAL 5 -1.353 3.552 2.422
45 3HG1 VAL 5 3HG1 VAL 5 -0.456 3.362 3.928
46 1HG2 VAL 5 1HG2 VAL 5 0.195 0.245 1.970
47 2HG2 VAL 5 2HG2 VAL 5 -0.242 0.816 3.580
48 3HG2 VAL 5 3HG2 VAL 5 -1.321 1.110 2.214
49 H LYS 6 H LYS 6 3.108 3.769 0.519
50 HA LYS 6 HA LYS 6 4.618 1.333 -0.197
51 1HB LYS 6 1HB LYS 6 4.044 3.333 -2.025
52 2HB LYS 6 2HB LYS 6 5.631 3.808 -1.449
53 1HG LYS 6 1HG LYS 6 6.489 1.567 -2.050
54 2HG LYS 6 2HG LYS 6 4.900 1.153 -2.684
55 1HD LYS 6 1HD LYS 6 5.418 2.053 -4.661
56 2HD LYS 6 2HD LYS 6 5.688 3.624 -3.917
57 1HE LYS 6 1HE LYS 6 8.013 3.094 -3.534
58 2HE LYS 6 2HE LYS 6 7.768 1.439 -4.093
59 1HZ LYS 6 1HZ LYS 6 7.436 3.872 -5.765
60 2HZ LYS 6 2HZ LYS 6 8.784 2.850 -5.790
61 3HZ LYS 6 3HZ LYS 6 7.275 2.272 -6.292
62 H THR 7 H THR 7 6.706 1.131 0.573
63 HA THR 7 HA THR 7 7.714 3.145 2.477
64 HB THR 7 HB THR 7 6.957 1.216 3.764
65 HG1 THR 7 HG1 THR 7 9.782 1.416 3.748
66 1HG2 THR 7 1HG2 THR 7 8.786 -0.497 2.088
67 2HG2 THR 7 2HG2 THR 7 8.355 -0.959 3.734
68 3HG2 THR 7 3HG2 THR 7 7.096 -0.773 2.513
69 H LEU 8 H LEU 8 10.094 3.146 2.920
70 HA LEU 8 HA LEU 8 11.670 3.655 0.588
71 1HB LEU 8 1HB LEU 8 12.124 3.753 3.536
72 2HB LEU 8 2HB LEU 8 13.531 3.787 2.493
73 HG LEU 8 HG LEU 8 11.645 5.717 1.469
74 1HD1 LEU 8 1HD1 LEU 8 10.633 5.776 3.679
75 2HD1 LEU 8 2HD1 LEU 8 12.209 6.094 4.405
76 3HD1 LEU 8 3HD1 LEU 8 11.480 7.283 3.325
77 1HD2 LEU 8 1HD2 LEU 8 14.130 5.747 1.244
78 2HD2 LEU 8 2HD2 LEU 8 13.424 7.285 1.738
79 3HD2 LEU 8 3HD2 LEU 8 14.226 6.260 2.928
80 H ASP 9 H ASP 9 11.353 0.740 2.521
81 HA ASP 9 HA ASP 9 13.829 -0.593 1.915
82 1HB ASP 9 1HB ASP 9 11.240 -1.502 3.162
83 2HB ASP 9 2HB ASP 9 12.508 -2.659 2.776
84 H GLY 10 H GLY 10 10.561 -0.706 0.438
85 1HA GLY 10 2HA GLY 10 11.563 -2.351 -1.826
86 2HA GLY 10 1HA GLY 10 10.423 -1.030 -2.007
87 H LYS 11 H LYS 11 8.361 -1.292 -0.574
88 HA LYS 11 HA LYS 11 7.152 -3.941 -1.081
89 1HB LYS 11 1HB LYS 11 7.130 -2.454 1.540
90 2HB LYS 11 2HB LYS 11 5.797 -3.504 1.118
91 1HG LYS 11 1HG LYS 11 7.267 -5.415 1.045
92 2HG LYS 11 2HG LYS 11 8.673 -4.378 1.314
93 1HD LYS 11 1HD LYS 11 7.423 -3.652 3.478
94 2HD LYS 11 2HD LYS 11 6.470 -5.114 3.223
95 1HE LYS 11 1HE LYS 11 8.779 -6.288 3.061
96 2HE LYS 11 2HE LYS 11 9.383 -4.824 3.840
97 1HZ LYS 11 1HZ LYS 11 7.168 -6.462 4.938
98 2HZ LYS 11 2HZ LYS 11 8.787 -6.667 5.384
99 3HZ LYS 11 3HZ LYS 11 7.997 -5.205 5.708
100 H THR 12 H THR 12 4.975 -3.966 -1.662
101 HA THR 12 HA THR 12 3.428 -1.478 -1.798
102 HB THR 12 HB THR 12 2.547 -2.254 -4.119
103 HG1 THR 12 HG1 THR 12 5.078 -3.564 -4.096
104 1HG2 THR 12 1HG2 THR 12 4.089 -0.242 -3.542
105 2HG2 THR 12 2HG2 THR 12 5.355 -1.221 -4.284
106 3HG2 THR 12 3HG2 THR 12 3.938 -0.755 -5.223
107 H ILE 13 H ILE 13 1.511 -1.663 -0.938
108 HA ILE 13 HA ILE 13 -0.135 -4.059 -1.081
109 HB ILE 13 HB ILE 13 -0.702 -3.992 1.383
110 1HG1 ILE 13 1HG1 ILE 13 0.347 -1.995 2.317
111 2HG1 ILE 13 2HG1 ILE 13 0.990 -3.394 3.125
112 1HG2 ILE 13 1HG2 ILE 13 0.562 -5.764 0.154
113 2HG2 ILE 13 2HG2 ILE 13 2.022 -5.139 0.926
114 3HG2 ILE 13 3HG2 ILE 13 0.697 -5.760 1.911
115 1HD1 ILE 13 1HD1 ILE 13 3.054 -2.898 1.444
116 2HD1 ILE 13 2HD1 ILE 13 2.383 -1.270 1.554
117 3HD1 ILE 13 3HD1 ILE 13 2.894 -2.118 3.017
118 H THR 14 H THR 14 -2.293 -3.742 -1.116
119 HA THR 14 HA THR 14 -3.334 -0.982 -1.120
120 HB THR 14 HB THR 14 -5.423 -2.037 -2.169
121 HG1 THR 14 HG1 THR 14 -5.387 -4.157 -2.173
122 1HG2 THR 14 1HG2 THR 14 -3.446 -0.878 -3.393
123 2HG2 THR 14 2HG2 THR 14 -3.118 -2.505 -3.994
124 3HG2 THR 14 3HG2 THR 14 -4.681 -1.749 -4.303
125 H LEU 15 H LEU 15 -5.122 -0.278 0.018
126 HA LEU 15 HA LEU 15 -6.045 -1.920 2.281
127 1HB LEU 15 1HB LEU 15 -5.354 0.944 2.021
128 2HB LEU 15 2HB LEU 15 -6.863 0.662 2.860
129 HG LEU 15 HG LEU 15 -4.945 -1.146 3.995
130 1HD1 LEU 15 1HD1 LEU 15 -3.879 1.665 3.806
131 2HD1 LEU 15 2HD1 LEU 15 -3.277 0.427 4.909
132 3HD1 LEU 15 3HD1 LEU 15 -3.136 0.200 3.165
133 1HD2 LEU 15 1HD2 LEU 15 -6.897 -0.131 5.138
134 2HD2 LEU 15 2HD2 LEU 15 -5.400 -0.006 6.060
135 3HD2 LEU 15 3HD2 LEU 15 -6.025 1.400 5.197
136 H GLU 16 H GLU 16 -7.719 -3.040 1.630
137 HA GLU 16 HA GLU 16 -9.996 -1.779 0.232
138 1HB GLU 16 1HB GLU 16 -8.513 -4.306 -0.328
139 2HB GLU 16 2HB GLU 16 -10.250 -4.324 -0.590
140 1HG GLU 16 1HG GLU 16 -9.745 -2.129 -1.955
141 2HG GLU 16 2HG GLU 16 -8.119 -2.802 -2.033
142 H VAL 17 H VAL 17 -12.084 -2.303 0.798
143 HA VAL 17 HA VAL 17 -12.625 -4.158 3.014
144 HB VAL 17 HB VAL 17 -14.398 -2.521 3.948
145 1HG1 VAL 17 1HG1 VAL 17 -12.277 -3.239 5.042
146 2HG1 VAL 17 2HG1 VAL 17 -11.551 -1.736 4.473
147 3HG1 VAL 17 3HG1 VAL 17 -12.921 -1.688 5.582
148 1HG2 VAL 17 1HG2 VAL 17 -14.178 -0.725 2.153
149 2HG2 VAL 17 2HG2 VAL 17 -14.104 -0.146 3.819
150 3HG2 VAL 17 3HG2 VAL 17 -12.625 -0.305 2.873
No H/Q in entry = 150
Start of MODEL 11
1 H1 MET 1 H1 MET 1 -13.991 1.018 -1.248
2 H2 MET 1 H2 MET 1 -13.797 0.762 0.413
3 H3 MET 1 H3 MET 1 -14.807 2.001 -0.141
4 HA MET 1 HA MET 1 -12.950 3.187 -1.063
5 1HB MET 1 1HB MET 1 -13.621 2.917 1.609
6 2HB MET 1 2HB MET 1 -11.883 2.665 1.642
7 1HG MET 1 1HG MET 1 -11.912 4.906 1.936
8 2HG MET 1 2HG MET 1 -11.916 4.883 0.174
9 1HE MET 1 1HE MET 1 -13.991 5.141 3.395
10 2HE MET 1 2HE MET 1 -13.443 6.776 3.020
11 3HE MET 1 3HE MET 1 -15.164 6.391 2.977
12 H GLN 2 H GLN 2 -10.804 3.417 -1.624
13 HA GLN 2 HA GLN 2 -8.892 1.227 -1.213
14 1HB GLN 2 1HB GLN 2 -10.007 2.056 -3.788
15 2HB GLN 2 2HB GLN 2 -8.258 2.212 -3.764
16 1HG GLN 2 1HG GLN 2 -7.971 -0.100 -3.283
17 2HG GLN 2 2HG GLN 2 -9.698 -0.315 -2.999
18 2HE2 GLN 2 2HE2 GLN 2 -7.188 0.015 -5.436
19 1HE2 GLN 2 1HE2 GLN 2 -8.178 -0.432 -6.780
20 H ILE 3 H ILE 3 -6.944 1.803 -0.573
21 HA ILE 3 HA ILE 3 -5.759 4.408 -1.056
22 HB ILE 3 HB ILE 3 -5.065 4.647 1.452
23 1HG1 ILE 3 1HG1 ILE 3 -7.669 3.865 2.550
24 2HG1 ILE 3 2HG1 ILE 3 -6.893 2.459 1.843
25 1HG2 ILE 3 1HG2 ILE 3 -6.344 6.283 0.212
26 2HG2 ILE 3 2HG2 ILE 3 -7.839 5.408 0.544
27 3HG2 ILE 3 3HG2 ILE 3 -6.947 6.165 1.865
28 1HD1 ILE 3 1HD1 ILE 3 -5.296 4.157 3.682
29 2HD1 ILE 3 2HD1 ILE 3 -6.553 3.120 4.356
30 3HD1 ILE 3 3HD1 ILE 3 -5.243 2.415 3.409
31 H PHE 4 H PHE 4 -3.728 4.326 -1.514
32 HA PHE 4 HA PHE 4 -2.183 1.844 -1.223
33 1HB PHE 4 1HB PHE 4 -2.221 4.135 -3.152
34 2HB PHE 4 2HB PHE 4 -0.701 3.295 -2.933
35 HD1 PHE 4 HD1 PHE 4 -4.389 2.800 -4.120
36 HD2 PHE 4 HD2 PHE 4 -0.180 1.182 -4.081
37 HE1 PHE 4 HE1 PHE 4 -5.026 1.098 -5.955
38 HE2 PHE 4 HE2 PHE 4 -0.832 -0.526 -5.919
39 HZ PHE 4 HZ PHE 4 -3.250 -0.566 -6.864
40 H VAL 5 H VAL 5 -0.119 1.702 -0.398
41 HA VAL 5 HA VAL 5 1.246 4.009 0.797
42 HB VAL 5 HB VAL 5 1.572 1.688 2.624
43 1HG1 VAL 5 1HG1 VAL 5 2.470 3.961 3.016
44 2HG1 VAL 5 2HG1 VAL 5 0.823 4.530 3.293
45 3HG1 VAL 5 3HG1 VAL 5 1.534 3.328 4.369
46 1HG2 VAL 5 1HG2 VAL 5 -0.938 1.502 2.256
47 2HG2 VAL 5 2HG2 VAL 5 -0.422 1.752 3.923
48 3HG2 VAL 5 3HG2 VAL 5 -1.080 3.099 2.991
49 H LYS 6 H LYS 6 3.385 4.035 0.490
50 HA LYS 6 HA LYS 6 4.841 1.630 -0.411
51 1HB LYS 6 1HB LYS 6 4.103 3.642 -2.122
52 2HB LYS 6 2HB LYS 6 5.700 4.188 -1.638
53 1HG LYS 6 1HG LYS 6 6.753 2.299 -2.551
54 2HG LYS 6 2HG LYS 6 5.245 1.392 -2.650
55 1HD LYS 6 1HD LYS 6 4.544 2.485 -4.559
56 2HD LYS 6 2HD LYS 6 5.504 3.927 -4.229
57 1HE LYS 6 1HE LYS 6 7.510 2.852 -4.914
58 2HE LYS 6 2HE LYS 6 6.730 1.271 -4.951
59 1HZ LYS 6 1HZ LYS 6 5.964 3.521 -6.730
60 2HZ LYS 6 2HZ LYS 6 7.070 2.317 -7.167
61 3HZ LYS 6 3HZ LYS 6 5.461 1.909 -6.839
62 H THR 7 H THR 7 6.975 1.394 0.128
63 HA THR 7 HA THR 7 8.304 3.316 1.948
64 HB THR 7 HB THR 7 9.400 1.227 3.027
65 HG1 THR 7 HG1 THR 7 8.710 -0.615 2.336
66 1HG2 THR 7 1HG2 THR 7 6.610 2.174 3.553
67 2HG2 THR 7 2HG2 THR 7 7.283 0.846 4.499
68 3HG2 THR 7 3HG2 THR 7 8.075 2.423 4.503
69 H LEU 8 H LEU 8 10.543 3.539 1.816
70 HA LEU 8 HA LEU 8 11.844 3.346 -0.680
71 1HB LEU 8 1HB LEU 8 12.344 4.506 1.874
72 2HB LEU 8 2HB LEU 8 13.790 3.634 1.418
73 HG LEU 8 HG LEU 8 13.062 5.104 -0.902
74 1HD1 LEU 8 1HD1 LEU 8 12.825 6.840 1.553
75 2HD1 LEU 8 2HD1 LEU 8 13.051 7.444 -0.088
76 3HD1 LEU 8 3HD1 LEU 8 11.591 6.547 0.327
77 1HD2 LEU 8 1HD2 LEU 8 15.351 4.608 -0.166
78 2HD2 LEU 8 2HD2 LEU 8 15.130 6.315 -0.551
79 3HD2 LEU 8 3HD2 LEU 8 15.181 5.791 1.133
80 H ASP 9 H ASP 9 11.636 0.863 1.742
81 HA ASP 9 HA ASP 9 14.030 -0.651 1.204
82 1HB ASP 9 1HB ASP 9 12.136 -0.664 3.234
83 2HB ASP 9 2HB ASP 9 11.863 -2.197 2.415
84 H GLY 10 H GLY 10 10.623 -0.908 0.080
85 1HA GLY 10 2HA GLY 10 11.346 -3.007 -1.901
86 2HA GLY 10 1HA GLY 10 10.335 -1.631 -2.304
87 H LYS 11 H LYS 11 8.468 -1.386 -0.461
88 HA LYS 11 HA LYS 11 6.878 -3.872 -0.503
89 1HB LYS 11 1HB LYS 11 7.948 -2.589 1.839
90 2HB LYS 11 2HB LYS 11 6.204 -2.423 1.877
91 1HG LYS 11 1HG LYS 11 5.876 -4.576 2.404
92 2HG LYS 11 2HG LYS 11 7.057 -5.152 1.237
93 1HD LYS 11 1HD LYS 11 8.359 -5.714 2.985
94 2HD LYS 11 2HD LYS 11 8.643 -3.995 3.234
95 1HE LYS 11 1HE LYS 11 7.965 -4.670 5.339
96 2HE LYS 11 2HE LYS 11 6.442 -4.121 4.648
97 1HZ LYS 11 1HZ LYS 11 7.337 -6.956 4.705
98 2HZ LYS 11 2HZ LYS 11 6.265 -6.267 5.818
99 3HZ LYS 11 3HZ LYS 11 5.830 -6.384 4.187
100 H THR 12 H THR 12 4.659 -3.674 -0.735
101 HA THR 12 HA THR 12 3.339 -1.060 -0.894
102 HB THR 12 HB THR 12 2.078 -1.887 -3.011
103 HG1 THR 12 HG1 THR 12 2.813 -3.908 -3.374
104 1HG2 THR 12 1HG2 THR 12 4.885 -0.816 -3.040
105 2HG2 THR 12 2HG2 THR 12 3.970 -1.043 -4.531
106 3HG2 THR 12 3HG2 THR 12 3.366 0.048 -3.284
107 H ILE 13 H ILE 13 1.465 -1.024 0.141
108 HA ILE 13 HA ILE 13 -0.139 -3.443 0.551
109 HB ILE 13 HB ILE 13 1.430 -3.104 2.503
110 1HG1 ILE 13 1HG1 ILE 13 -0.980 -3.049 4.105
111 2HG1 ILE 13 2HG1 ILE 13 -1.323 -3.874 2.597
112 1HG2 ILE 13 1HG2 ILE 13 1.518 -0.735 2.854
113 2HG2 ILE 13 2HG2 ILE 13 -0.190 -0.685 3.290
114 3HG2 ILE 13 3HG2 ILE 13 0.959 -1.528 4.330
115 1HD1 ILE 13 1HD1 ILE 13 0.942 -4.581 4.447
116 2HD1 ILE 13 2HD1 ILE 13 -0.631 -5.380 4.425
117 3HD1 ILE 13 3HD1 ILE 13 0.425 -5.473 3.016
118 H THR 14 H THR 14 -2.237 -3.239 0.153
119 HA THR 14 HA THR 14 -3.538 -0.587 -0.093
120 HB THR 14 HB THR 14 -5.175 -1.861 -1.677
121 HG1 THR 14 HG1 THR 14 -2.877 -3.539 -1.873
122 1HG2 THR 14 1HG2 THR 14 -3.379 -0.093 -2.248
123 2HG2 THR 14 2HG2 THR 14 -2.517 -1.464 -2.953
124 3HG2 THR 14 3HG2 THR 14 -4.131 -1.044 -3.529
125 H LEU 15 H LEU 15 -5.655 -0.261 0.570
126 HA LEU 15 HA LEU 15 -6.830 -2.261 2.392
127 1HB LEU 15 1HB LEU 15 -6.214 0.451 2.851
128 2HB LEU 15 2HB LEU 15 -7.950 0.430 2.636
129 HG LEU 15 HG LEU 15 -7.317 -1.721 4.431
130 1HD1 LEU 15 1HD1 LEU 15 -5.193 -0.616 4.899
131 2HD1 LEU 15 2HD1 LEU 15 -6.050 0.868 5.312
132 3HD1 LEU 15 3HD1 LEU 15 -6.265 -0.577 6.299
133 1HD2 LEU 15 1HD2 LEU 15 -8.631 0.949 4.930
134 2HD2 LEU 15 2HD2 LEU 15 -9.428 -0.556 4.470
135 3HD2 LEU 15 3HD2 LEU 15 -8.653 -0.415 6.048
136 H GLU 16 H GLU 16 -8.295 -3.440 1.422
137 HA GLU 16 HA GLU 16 -10.263 -2.287 -0.455
138 1HB GLU 16 1HB GLU 16 -8.416 -4.599 -0.816
139 2HB GLU 16 2HB GLU 16 -10.043 -4.783 -1.457
140 1HG GLU 16 1HG GLU 16 -9.674 -2.616 -2.698
141 2HG GLU 16 2HG GLU 16 -7.986 -2.709 -2.201
142 H VAL 17 H VAL 17 -12.356 -3.032 -0.433
143 HA VAL 17 HA VAL 17 -13.238 -4.605 1.888
144 HB VAL 17 HB VAL 17 -15.619 -3.788 1.283
145 1HG1 VAL 17 1HG1 VAL 17 -14.205 -3.043 3.193
146 2HG1 VAL 17 2HG1 VAL 17 -13.743 -1.645 2.224
147 3HG1 VAL 17 3HG1 VAL 17 -15.432 -1.891 2.667
148 1HG2 VAL 17 1HG2 VAL 17 -15.010 -2.759 -0.993
149 2HG2 VAL 17 2HG2 VAL 17 -16.001 -1.771 0.078
150 3HG2 VAL 17 3HG2 VAL 17 -14.275 -1.440 -0.084
No H/Q in entry = 150
Start of MODEL 12
1 H1 MET 1 H1 MET 1 -13.462 0.125 0.065
2 H2 MET 1 H2 MET 1 -14.644 1.294 -0.243
3 H3 MET 1 H3 MET 1 -13.897 0.490 -1.530
4 HA MET 1 HA MET 1 -12.869 2.524 -1.529
5 1HB MET 1 1HB MET 1 -11.875 3.571 0.595
6 2HB MET 1 2HB MET 1 -13.616 3.617 0.437
7 1HG MET 1 1HG MET 1 -13.681 1.655 2.075
8 2HG MET 1 2HG MET 1 -11.961 1.936 2.336
9 1HE MET 1 1HE MET 1 -15.513 3.445 2.444
10 2HE MET 1 2HE MET 1 -15.284 2.549 3.946
11 3HE MET 1 3HE MET 1 -15.480 4.302 3.986
12 H GLN 2 H GLN 2 -10.802 2.804 -2.146
13 HA GLN 2 HA GLN 2 -8.722 0.926 -1.250
14 1HB GLN 2 1HB GLN 2 -9.558 1.543 -4.058
15 2HB GLN 2 2HB GLN 2 -7.843 1.301 -3.745
16 1HG GLN 2 1HG GLN 2 -8.143 -0.917 -3.101
17 2HG GLN 2 2HG GLN 2 -9.871 -0.706 -2.829
18 2HE2 GLN 2 2HE2 GLN 2 -7.370 -1.277 -5.228
19 1HE2 GLN 2 1HE2 GLN 2 -8.444 -1.669 -6.523
20 H ILE 3 H ILE 3 -6.885 1.741 -0.605
21 HA ILE 3 HA ILE 3 -5.884 4.356 -1.384
22 HB ILE 3 HB ILE 3 -5.302 4.903 1.116
23 1HG1 ILE 3 2HG1 ILE 3 -7.878 4.111 2.226
24 2HG1 ILE 3 1HG1 ILE 3 -7.066 2.669 1.641
25 1HG2 ILE 3 1HG2 ILE 3 -6.742 6.180 -0.488
26 2HG2 ILE 3 2HG2 ILE 3 -8.140 5.407 0.261
27 3HG2 ILE 3 3HG2 ILE 3 -7.088 6.446 1.221
28 1HD1 ILE 3 1HD1 ILE 3 -5.613 4.585 3.406
29 2HD1 ILE 3 2HD1 ILE 3 -6.758 3.426 4.082
30 3HD1 ILE 3 3HD1 ILE 3 -5.359 2.854 3.173
31 H PHE 4 H PHE 4 -3.865 4.288 -1.884
32 HA PHE 4 HA PHE 4 -2.187 1.993 -1.173
33 1HB PHE 4 1HB PHE 4 -2.495 3.737 -3.542
34 2HB PHE 4 2HB PHE 4 -0.834 3.329 -3.164
35 HD1 PHE 4 HD1 PHE 4 -4.257 1.849 -4.245
36 HD2 PHE 4 HD2 PHE 4 0.146 1.066 -3.645
37 HE1 PHE 4 HE1 PHE 4 -4.465 -0.356 -5.569
38 HE2 PHE 4 HE2 PHE 4 -0.076 -1.138 -4.985
39 HZ PHE 4 HZ PHE 4 -2.376 -1.851 -5.949
40 H VAL 5 H VAL 5 -0.169 2.075 -0.347
41 HA VAL 5 HA VAL 5 1.239 4.534 0.283
42 HB VAL 5 HB VAL 5 1.738 3.699 2.718
43 1HG1 VAL 5 1HG1 VAL 5 0.640 5.789 2.177
44 2HG1 VAL 5 2HG1 VAL 5 -0.919 4.969 2.107
45 3HG1 VAL 5 3HG1 VAL 5 -0.043 5.067 3.634
46 1HG2 VAL 5 1HG2 VAL 5 0.414 1.542 2.610
47 2HG2 VAL 5 2HG2 VAL 5 0.034 2.580 3.984
48 3HG2 VAL 5 3HG2 VAL 5 -1.055 2.521 2.600
49 H LYS 6 H LYS 6 3.352 4.393 -0.019
50 HA LYS 6 HA LYS 6 4.611 1.762 -0.457
51 1HB LYS 6 1HB LYS 6 4.380 3.901 -2.190
52 2HB LYS 6 2HB LYS 6 6.003 4.115 -1.556
53 1HG LYS 6 1HG LYS 6 6.730 2.044 -2.403
54 2HG LYS 6 2HG LYS 6 5.085 1.478 -2.666
55 1HD LYS 6 1HD LYS 6 5.121 2.224 -4.769
56 2HD LYS 6 2HD LYS 6 5.427 3.869 -4.222
57 1HE LYS 6 1HE LYS 6 7.817 3.482 -4.276
58 2HE LYS 6 2HE LYS 6 7.567 1.779 -4.661
59 1HZ LYS 6 1HZ LYS 6 6.764 4.059 -6.389
60 2HZ LYS 6 2HZ LYS 6 8.132 3.093 -6.623
61 3HZ LYS 6 3HZ LYS 6 6.588 2.418 -6.762
62 H THR 7 H THR 7 6.618 1.222 0.293
63 HA THR 7 HA THR 7 7.851 2.828 2.460
64 HB THR 7 HB THR 7 8.849 0.525 3.165
65 HG1 THR 7 HG1 THR 7 6.601 -0.355 1.660
66 1HG2 THR 7 1HG2 THR 7 6.042 1.439 3.649
67 2HG2 THR 7 2HG2 THR 7 6.605 -0.080 4.348
68 3HG2 THR 7 3HG2 THR 7 7.424 1.431 4.745
69 H LEU 8 H LEU 8 10.097 3.022 2.628
70 HA LEU 8 HA LEU 8 11.673 3.307 0.293
71 1HB LEU 8 1HB LEU 8 11.916 3.857 3.115
72 2HB LEU 8 2HB LEU 8 13.427 3.207 2.523
73 HG LEU 8 HG LEU 8 12.635 5.187 0.621
74 1HD1 LEU 8 1HD1 LEU 8 11.111 6.127 2.279
75 2HD1 LEU 8 2HD1 LEU 8 12.443 6.277 3.426
76 3HD1 LEU 8 3HD1 LEU 8 12.452 7.221 1.937
77 1HD2 LEU 8 1HD2 LEU 8 14.752 5.321 2.767
78 2HD2 LEU 8 2HD2 LEU 8 14.940 4.642 1.150
79 3HD2 LEU 8 3HD2 LEU 8 14.651 6.370 1.352
80 H ASP 9 H ASP 9 11.199 0.431 2.183
81 HA ASP 9 HA ASP 9 13.635 -1.022 1.693
82 1HB ASP 9 1HB ASP 9 10.929 -1.812 2.760
83 2HB ASP 9 2HB ASP 9 12.155 -3.029 2.425
84 H GLY 10 H GLY 10 10.476 -0.891 0.011
85 1HA GLY 10 2HA GLY 10 11.528 -2.486 -2.262
86 2HA GLY 10 1HA GLY 10 10.394 -1.159 -2.417
87 H LYS 11 H LYS 11 8.411 -1.665 -0.633
88 HA LYS 11 HA LYS 11 7.018 -3.967 -1.754
89 1HB LYS 11 1HB LYS 11 6.079 -4.677 0.527
90 2HB LYS 11 2HB LYS 11 7.715 -5.165 0.159
91 1HG LYS 11 1HG LYS 11 8.147 -2.877 1.624
92 2HG LYS 11 2HG LYS 11 6.655 -3.474 2.347
93 1HD LYS 11 1HD LYS 11 7.964 -5.757 2.424
94 2HD LYS 11 2HD LYS 11 9.382 -4.721 2.285
95 1HE LYS 11 1HE LYS 11 9.223 -4.827 4.554
96 2HE LYS 11 2HE LYS 11 8.183 -3.432 4.278
97 1HZ LYS 11 1HZ LYS 11 6.268 -4.960 4.311
98 2HZ LYS 11 2HZ LYS 11 7.305 -6.241 4.692
99 3HZ LYS 11 3HZ LYS 11 7.117 -4.954 5.775
100 H THR 12 H THR 12 4.903 -3.689 -2.174
101 HA THR 12 HA THR 12 3.632 -1.105 -1.507
102 HB THR 12 HB THR 12 1.974 -1.764 -3.382
103 HG1 THR 12 HG1 THR 12 2.364 -3.555 -4.413
104 1HG2 THR 12 1HG2 THR 12 3.793 -0.003 -3.518
105 2HG2 THR 12 2HG2 THR 12 4.778 -1.213 -4.340
106 3HG2 THR 12 3HG2 THR 12 3.256 -0.682 -5.054
107 H ILE 13 H ILE 13 1.765 -0.888 -0.426
108 HA ILE 13 HA ILE 13 0.111 -3.194 0.310
109 HB ILE 13 HB ILE 13 1.824 -2.874 2.112
110 1HG1 ILE 13 2HG1 ILE 13 -0.387 -2.385 3.915
111 2HG1 ILE 13 1HG1 ILE 13 -0.982 -3.280 2.527
112 1HG2 ILE 13 1HG2 ILE 13 2.191 -0.498 2.213
113 2HG2 ILE 13 2HG2 ILE 13 0.556 -0.231 2.827
114 3HG2 ILE 13 3HG2 ILE 13 1.734 -1.107 3.804
115 1HD1 ILE 13 1HD1 ILE 13 1.356 -4.117 4.232
116 2HD1 ILE 13 2HD1 ILE 13 -0.294 -4.721 4.402
117 3HD1 ILE 13 3HD1 ILE 13 0.616 -5.046 2.927
118 H THR 14 H THR 14 -2.040 -2.895 0.248
119 HA THR 14 HA THR 14 -3.280 -0.244 0.271
120 HB THR 14 HB THR 14 -3.036 -0.549 -2.120
121 HG1 THR 14 HG1 THR 14 -4.958 0.162 -2.517
122 1HG2 THR 14 1HG2 THR 14 -3.523 -3.329 -1.800
123 2HG2 THR 14 2HG2 THR 14 -4.835 -2.693 -2.793
124 3HG2 THR 14 3HG2 THR 14 -3.157 -2.454 -3.288
125 H LEU 15 H LEU 15 -5.481 -0.101 0.851
126 HA LEU 15 HA LEU 15 -6.529 -2.326 2.469
127 1HB LEU 15 1HB LEU 15 -6.531 0.608 2.736
128 2HB LEU 15 2HB LEU 15 -8.080 -0.127 3.086
129 HG LEU 15 HG LEU 15 -6.058 -1.644 4.483
130 1HD1 LEU 15 1HD1 LEU 15 -5.862 1.324 4.959
131 2HD1 LEU 15 2HD1 LEU 15 -5.223 0.084 6.039
132 3HD1 LEU 15 3HD1 LEU 15 -4.583 0.243 4.403
133 1HD2 LEU 15 1HD2 LEU 15 -8.400 -1.474 5.165
134 2HD2 LEU 15 2HD2 LEU 15 -7.310 -1.015 6.474
135 3HD2 LEU 15 3HD2 LEU 15 -8.165 0.228 5.560
136 H GLU 16 H GLU 16 -8.335 -3.395 1.989
137 HA GLU 16 HA GLU 16 -10.277 -2.413 -0.007
138 1HB GLU 16 1HB GLU 16 -8.678 -4.948 -0.127
139 2HB GLU 16 2HB GLU 16 -10.333 -4.983 -0.717
140 1HG GLU 16 1HG GLU 16 -9.718 -3.019 -2.195
141 2HG GLU 16 2HG GLU 16 -8.041 -3.310 -1.738
142 H VAL 17 H VAL 17 -12.406 -2.983 0.237
143 HA VAL 17 HA VAL 17 -13.255 -4.717 2.457
144 HB VAL 17 HB VAL 17 -15.217 -3.106 2.955
145 1HG1 VAL 17 1HG1 VAL 17 -13.276 -3.650 4.433
146 2HG1 VAL 17 2HG1 VAL 17 -12.541 -2.138 3.898
147 3HG1 VAL 17 3HG1 VAL 17 -14.081 -2.114 4.756
148 1HG2 VAL 17 1HG2 VAL 17 -14.714 -1.427 1.081
149 2HG2 VAL 17 2HG2 VAL 17 -15.024 -0.748 2.680
150 3HG2 VAL 17 3HG2 VAL 17 -13.372 -0.868 2.078
No H/Q in entry = 150
Start of MODEL 13
1 H1 MET 1 H1 MET 1 -13.651 0.224 -0.197
2 H2 MET 1 H2 MET 1 -14.701 1.481 -0.625
3 H3 MET 1 H3 MET 1 -13.819 0.672 -1.821
4 HA MET 1 HA MET 1 -12.845 2.813 -1.391
5 1HB MET 1 1HB MET 1 -13.686 2.342 1.188
6 2HB MET 1 2HB MET 1 -11.950 2.098 1.341
7 1HG MET 1 1HG MET 1 -11.466 4.303 0.888
8 2HG MET 1 2HG MET 1 -12.963 4.563 -0.008
9 1HE MET 1 1HE MET 1 -15.331 4.651 1.138
10 2HE MET 1 2HE MET 1 -15.455 5.771 2.497
11 3HE MET 1 3HE MET 1 -14.622 6.264 1.022
12 H GLN 2 H GLN 2 -10.701 3.144 -1.841
13 HA GLN 2 HA GLN 2 -8.723 1.006 -1.453
14 1HB GLN 2 1HB GLN 2 -9.516 2.233 -4.076
15 2HB GLN 2 2HB GLN 2 -7.823 1.825 -3.823
16 1HG GLN 2 1HG GLN 2 -8.331 -0.476 -3.524
17 2HG GLN 2 2HG GLN 2 -10.062 -0.152 -3.450
18 2HE2 GLN 2 2HE2 GLN 2 -7.277 -0.519 -5.563
19 1HE2 GLN 2 1HE2 GLN 2 -8.173 -0.570 -7.038
20 H ILE 3 H ILE 3 -6.871 1.625 -0.636
21 HA ILE 3 HA ILE 3 -5.737 4.280 -0.916
22 HB ILE 3 HB ILE 3 -5.226 4.399 1.652
23 1HG1 ILE 3 1HG1 ILE 3 -7.866 3.552 2.554
24 2HG1 ILE 3 2HG1 ILE 3 -7.092 2.188 1.768
25 1HG2 ILE 3 1HG2 ILE 3 -6.524 6.006 0.282
26 2HG2 ILE 3 2HG2 ILE 3 -7.997 5.155 0.748
27 3HG2 ILE 3 3HG2 ILE 3 -7.010 5.948 1.977
28 1HD1 ILE 3 1HD1 ILE 3 -5.603 3.729 3.839
29 2HD1 ILE 3 2HD1 ILE 3 -6.835 2.559 4.314
30 3HD1 ILE 3 3HD1 ILE 3 -5.445 2.039 3.360
31 H PHE 4 H PHE 4 -3.720 4.158 -1.405
32 HA PHE 4 HA PHE 4 -2.159 1.710 -0.947
33 1HB PHE 4 1HB PHE 4 -2.370 3.707 -3.127
34 2HB PHE 4 2HB PHE 4 -0.740 3.153 -2.802
35 HD1 PHE 4 HD1 PHE 4 -4.242 2.050 -4.043
36 HD2 PHE 4 HD2 PHE 4 0.080 0.875 -3.500
37 HE1 PHE 4 HE1 PHE 4 -4.594 0.020 -5.597
38 HE2 PHE 4 HE2 PHE 4 -0.285 -1.149 -5.071
39 HZ PHE 4 HZ PHE 4 -2.618 -1.581 -6.121
40 H VAL 5 H VAL 5 -0.099 1.647 -0.150
41 HA VAL 5 HA VAL 5 1.284 4.044 0.794
42 HB VAL 5 HB VAL 5 1.926 2.854 3.014
43 1HG1 VAL 5 1HG1 VAL 5 0.501 4.893 2.716
44 2HG1 VAL 5 2HG1 VAL 5 -0.903 3.843 2.908
45 3HG1 VAL 5 3HG1 VAL 5 0.269 3.997 4.217
46 1HG2 VAL 5 1HG2 VAL 5 -0.684 1.352 2.589
47 2HG2 VAL 5 2HG2 VAL 5 0.918 0.633 2.753
48 3HG2 VAL 5 3HG2 VAL 5 0.181 1.474 4.120
49 H LYS 6 H LYS 6 3.411 4.069 0.492
50 HA LYS 6 HA LYS 6 4.851 1.601 -0.264
51 1HB LYS 6 1HB LYS 6 4.196 3.613 -2.004
52 2HB LYS 6 2HB LYS 6 5.792 4.131 -1.487
53 1HG LYS 6 1HG LYS 6 6.798 2.131 -2.300
54 2HG LYS 6 2HG LYS 6 5.228 1.377 -2.577
55 1HD LYS 6 1HD LYS 6 4.830 2.562 -4.504
56 2HD LYS 6 2HD LYS 6 5.805 3.944 -4.002
57 1HE LYS 6 1HE LYS 6 7.831 2.801 -4.515
58 2HE LYS 6 2HE LYS 6 6.985 1.270 -4.742
59 1HZ LYS 6 1HZ LYS 6 5.822 2.313 -6.645
60 2HZ LYS 6 2HZ LYS 6 6.808 3.677 -6.469
61 3HZ LYS 6 3HZ LYS 6 7.493 2.183 -6.869
62 H THR 7 H THR 7 6.956 1.308 0.333
63 HA THR 7 HA THR 7 8.236 3.162 2.267
64 HB THR 7 HB THR 7 9.414 1.049 3.164
65 HG1 THR 7 HG1 THR 7 8.792 -0.818 2.444
66 1HG2 THR 7 1HG2 THR 7 6.561 1.757 3.709
67 2HG2 THR 7 2HG2 THR 7 7.296 0.377 4.529
68 3HG2 THR 7 3HG2 THR 7 7.988 1.991 4.719
69 H LEU 8 H LEU 8 10.486 3.464 2.195
70 HA LEU 8 HA LEU 8 11.819 3.536 -0.302
71 1HB LEU 8 1HB LEU 8 12.157 4.714 2.160
72 2HB LEU 8 2HB LEU 8 13.564 3.678 2.069
73 HG LEU 8 HG LEU 8 13.462 5.008 -0.444
74 1HD1 LEU 8 1HD1 LEU 8 12.963 6.960 1.801
75 2HD1 LEU 8 2HD1 LEU 8 13.545 7.396 0.195
76 3HD1 LEU 8 3HD1 LEU 8 11.946 6.678 0.388
77 1HD2 LEU 8 1HD2 LEU 8 15.465 4.335 0.932
78 2HD2 LEU 8 2HD2 LEU 8 15.570 5.905 0.136
79 3HD2 LEU 8 3HD2 LEU 8 15.221 5.812 1.862
80 H ASP 9 H ASP 9 11.669 0.890 1.949
81 HA ASP 9 HA ASP 9 14.109 -0.521 1.337
82 1HB ASP 9 1HB ASP 9 11.645 -1.166 2.923
83 2HB ASP 9 2HB ASP 9 12.743 -2.469 2.486
84 H GLY 10 H GLY 10 10.735 -0.755 0.126
85 1HA GLY 10 2HA GLY 10 11.537 -2.709 -1.965
86 2HA GLY 10 1HA GLY 10 10.482 -1.344 -2.283
87 H LYS 11 H LYS 11 8.519 -1.288 -0.588
88 HA LYS 11 HA LYS 11 7.063 -3.843 -0.823
89 1HB LYS 11 1HB LYS 11 7.539 -2.299 1.701
90 2HB LYS 11 2HB LYS 11 5.981 -3.075 1.490
91 1HG LYS 11 1HG LYS 11 7.028 -5.233 1.311
92 2HG LYS 11 2HG LYS 11 8.631 -4.492 1.355
93 1HD LYS 11 1HD LYS 11 8.003 -3.545 3.611
94 2HD LYS 11 2HD LYS 11 6.573 -4.572 3.558
95 1HE LYS 11 1HE LYS 11 9.236 -5.846 3.116
96 2HE LYS 11 2HE LYS 11 8.812 -5.330 4.745
97 1HZ LYS 11 1HZ LYS 11 6.714 -6.632 4.473
98 2HZ LYS 11 2HZ LYS 11 7.352 -7.267 3.041
99 3HZ LYS 11 3HZ LYS 11 8.125 -7.566 4.515
100 H THR 12 H THR 12 4.862 -3.727 -1.215
101 HA THR 12 HA THR 12 3.450 -1.156 -1.331
102 HB THR 12 HB THR 12 2.365 -1.936 -3.561
103 HG1 THR 12 HG1 THR 12 3.186 -3.672 -4.415
104 1HG2 THR 12 1HG2 THR 12 3.837 0.053 -3.323
105 2HG2 THR 12 2HG2 THR 12 5.223 -0.971 -3.696
106 3HG2 THR 12 3HG2 THR 12 3.960 -0.722 -4.902
107 H ILE 13 H ILE 13 1.502 -1.216 -0.449
108 HA ILE 13 HA ILE 13 -0.187 -3.589 -0.383
109 HB ILE 13 HB ILE 13 -0.694 -3.330 2.081
110 1HG1 ILE 13 1HG1 ILE 13 0.411 -1.285 2.834
111 2HG1 ILE 13 2HG1 ILE 13 1.043 -2.631 3.733
112 1HG2 ILE 13 1HG2 ILE 13 0.505 -5.212 0.959
113 2HG2 ILE 13 2HG2 ILE 13 1.997 -4.557 1.632
114 3HG2 ILE 13 3HG2 ILE 13 0.700 -5.075 2.707
115 1HD1 ILE 13 1HD1 ILE 13 3.151 -2.393 2.225
116 2HD1 ILE 13 2HD1 ILE 13 2.477 -0.830 1.764
117 3HD1 ILE 13 3HD1 ILE 13 2.867 -1.156 3.452
118 H THR 14 H THR 14 -2.354 -3.282 -0.274
119 HA THR 14 HA THR 14 -3.469 -0.606 0.172
120 HB THR 14 HB THR 14 -3.315 -0.646 -2.243
121 HG1 THR 14 HG1 THR 14 -6.008 -1.023 -1.439
122 1HG2 THR 14 1HG2 THR 14 -3.877 -3.402 -2.251
123 2HG2 THR 14 2HG2 THR 14 -5.272 -2.642 -3.020
124 3HG2 THR 14 3HG2 THR 14 -3.648 -2.354 -3.653
125 H LEU 15 H LEU 15 -5.624 -0.421 0.859
126 HA LEU 15 HA LEU 15 -6.791 -2.801 2.155
127 1HB LEU 15 1HB LEU 15 -6.006 -0.451 3.323
128 2HB LEU 15 2HB LEU 15 -7.705 -0.136 3.043
129 HG LEU 15 HG LEU 15 -7.497 -2.758 4.230
130 1HD1 LEU 15 1HD1 LEU 15 -5.276 -1.888 5.039
131 2HD1 LEU 15 2HD1 LEU 15 -6.179 -0.699 5.977
132 3HD1 LEU 15 3HD1 LEU 15 -6.403 -2.421 6.287
133 1HD2 LEU 15 1HD2 LEU 15 -8.556 -0.152 5.317
134 2HD2 LEU 15 2HD2 LEU 15 -9.465 -1.388 4.448
135 3HD2 LEU 15 3HD2 LEU 15 -8.818 -1.733 6.052
136 H GLU 16 H GLU 16 -8.763 -3.514 1.661
137 HA GLU 16 HA GLU 16 -10.671 -1.920 0.072
138 1HB GLU 16 1HB GLU 16 -9.451 -4.555 -0.664
139 2HB GLU 16 2HB GLU 16 -11.134 -4.282 -1.087
140 1HG GLU 16 1HG GLU 16 -10.257 -2.079 -2.145
141 2HG GLU 16 2HG GLU 16 -8.682 -2.862 -2.073
142 H VAL 17 H VAL 17 -12.836 -2.246 0.406
143 HA VAL 17 HA VAL 17 -13.684 -4.054 2.588
144 HB VAL 17 HB VAL 17 -15.682 -2.453 2.960
145 1HG1 VAL 17 1HG1 VAL 17 -13.957 -2.799 4.595
146 2HG1 VAL 17 2HG1 VAL 17 -12.931 -1.596 3.813
147 3HG1 VAL 17 3HG1 VAL 17 -14.443 -1.104 4.575
148 1HG2 VAL 17 1HG2 VAL 17 -15.282 -0.906 0.989
149 2HG2 VAL 17 2HG2 VAL 17 -15.480 -0.092 2.541
150 3HG2 VAL 17 3HG2 VAL 17 -13.870 -0.285 1.848
No H/Q in entry = 150
Start of MODEL 14
1 H1 MET 1 H1 MET 1 -14.139 0.088 -2.029
2 H2 MET 1 H2 MET 1 -14.027 -0.078 -0.348
3 H3 MET 1 H3 MET 1 -15.145 0.999 -1.020
4 HA MET 1 HA MET 1 -13.402 2.386 -1.870
5 1HB MET 1 1HB MET 1 -14.209 2.132 0.749
6 2HB MET 1 2HB MET 1 -12.465 2.064 0.920
7 1HG MET 1 1HG MET 1 -12.265 4.259 0.648
8 2HG MET 1 2HG MET 1 -13.273 4.264 -0.798
9 1HE MET 1 1HE MET 1 -12.986 4.362 2.929
10 2HE MET 1 2HE MET 1 -13.176 6.082 2.575
11 3HE MET 1 3HE MET 1 -14.418 5.227 3.493
12 H GLN 2 H GLN 2 -11.286 2.857 -2.347
13 HA GLN 2 HA GLN 2 -9.160 0.904 -1.788
14 1HB GLN 2 1HB GLN 2 -10.054 1.916 -4.455
15 2HB GLN 2 2HB GLN 2 -8.323 1.756 -4.201
16 1HG GLN 2 1HG GLN 2 -8.443 -0.552 -3.932
17 2HG GLN 2 2HG GLN 2 -10.177 -0.520 -3.610
18 2HE2 GLN 2 2HE2 GLN 2 -7.695 -0.494 -6.098
19 1HE2 GLN 2 1HE2 GLN 2 -8.768 -0.747 -7.428
20 H ILE 3 H ILE 3 -7.352 1.676 -0.994
21 HA ILE 3 HA ILE 3 -6.372 4.373 -1.387
22 HB ILE 3 HB ILE 3 -5.906 4.668 1.173
23 1HG1 ILE 3 2HG1 ILE 3 -8.503 3.721 2.099
24 2HG1 ILE 3 1HG1 ILE 3 -7.638 2.361 1.403
25 1HG2 ILE 3 1HG2 ILE 3 -7.253 6.141 -0.264
26 2HG2 ILE 3 2HG2 ILE 3 -8.691 5.209 0.157
27 3HG2 ILE 3 3HG2 ILE 3 -7.821 6.101 1.405
28 1HD1 ILE 3 1HD1 ILE 3 -6.237 4.097 3.371
29 2HD1 ILE 3 2HD1 ILE 3 -7.439 2.935 3.933
30 3HD1 ILE 3 3HD1 ILE 3 -6.030 2.380 3.027
31 H PHE 4 H PHE 4 -4.355 4.321 -1.858
32 HA PHE 4 HA PHE 4 -2.712 1.940 -1.477
33 1HB PHE 4 1HB PHE 4 -2.809 4.223 -3.350
34 2HB PHE 4 2HB PHE 4 -1.190 3.685 -2.964
35 HD1 PHE 4 HD1 PHE 4 -4.549 2.579 -4.579
36 HD2 PHE 4 HD2 PHE 4 -0.171 1.674 -3.991
37 HE1 PHE 4 HE1 PHE 4 -4.660 0.816 -6.466
38 HE2 PHE 4 HE2 PHE 4 -0.296 -0.099 -5.877
39 HZ PHE 4 HZ PHE 4 -2.531 -0.522 -7.124
40 H VAL 5 H VAL 5 -0.705 1.782 -0.553
41 HA VAL 5 HA VAL 5 0.595 4.008 0.808
42 HB VAL 5 HB VAL 5 1.011 2.579 2.937
43 1HG1 VAL 5 1HG1 VAL 5 -0.294 4.670 2.809
44 2HG1 VAL 5 2HG1 VAL 5 -1.757 3.704 2.615
45 3HG1 VAL 5 3HG1 VAL 5 -0.807 3.580 4.096
46 1HG2 VAL 5 1HG2 VAL 5 -0.165 0.456 2.102
47 2HG2 VAL 5 2HG2 VAL 5 -0.583 0.996 3.728
48 3HG2 VAL 5 3HG2 VAL 5 -1.685 1.307 2.387
49 H LYS 6 H LYS 6 2.750 3.992 0.727
50 HA LYS 6 HA LYS 6 4.183 1.596 -0.246
51 1HB LYS 6 1HB LYS 6 3.838 3.922 -1.642
52 2HB LYS 6 2HB LYS 6 5.371 4.245 -0.850
53 1HG LYS 6 1HG LYS 6 6.419 2.406 -1.911
54 2HG LYS 6 2HG LYS 6 4.878 1.745 -2.458
55 1HD LYS 6 1HD LYS 6 4.693 3.218 -4.205
56 2HD LYS 6 2HD LYS 6 5.598 4.493 -3.388
57 1HE LYS 6 1HE LYS 6 7.671 3.479 -3.895
58 2HE LYS 6 2HE LYS 6 6.902 1.963 -4.366
59 1HZ LYS 6 1HZ LYS 6 5.863 3.204 -6.232
60 2HZ LYS 6 2HZ LYS 6 6.805 4.548 -5.823
61 3HZ LYS 6 3HZ LYS 6 7.549 3.114 -6.329
62 H THR 7 H THR 7 6.196 1.074 0.513
63 HA THR 7 HA THR 7 7.213 2.368 2.979
64 HB THR 7 HB THR 7 8.369 0.062 3.344
65 HG1 THR 7 HG1 THR 7 7.929 -1.352 1.861
66 1HG2 THR 7 1HG2 THR 7 5.475 0.659 3.813
67 2HG2 THR 7 2HG2 THR 7 6.138 -0.906 4.282
68 3HG2 THR 7 3HG2 THR 7 6.806 0.575 4.969
69 H LEU 8 H LEU 8 9.404 2.743 3.280
70 HA LEU 8 HA LEU 8 11.032 3.437 1.042
71 1HB LEU 8 1HB LEU 8 10.898 4.161 3.691
72 2HB LEU 8 2HB LEU 8 12.399 3.261 3.649
73 HG LEU 8 HG LEU 8 12.537 5.017 1.418
74 1HD1 LEU 8 1HD1 LEU 8 11.498 6.481 3.842
75 2HD1 LEU 8 2HD1 LEU 8 12.287 7.251 2.465
76 3HD1 LEU 8 3HD1 LEU 8 10.758 6.401 2.242
77 1HD2 LEU 8 1HD2 LEU 8 14.375 4.260 2.955
78 2HD2 LEU 8 2HD2 LEU 8 14.426 5.961 2.491
79 3HD2 LEU 8 3HD2 LEU 8 13.839 5.500 4.089
80 H ASP 9 H ASP 9 10.767 0.390 2.655
81 HA ASP 9 HA ASP 9 13.385 -0.745 2.332
82 1HB ASP 9 1HB ASP 9 10.685 -1.871 3.018
83 2HB ASP 9 2HB ASP 9 12.006 -2.966 2.629
84 H GLY 10 H GLY 10 10.465 -0.754 0.264
85 1HA GLY 10 2HA GLY 10 11.948 -2.019 -1.978
86 2HA GLY 10 1HA GLY 10 10.729 -0.774 -2.171
87 H LYS 11 H LYS 11 8.597 -1.620 -0.698
88 HA LYS 11 HA LYS 11 7.557 -3.887 -2.206
89 1HB LYS 11 1HB LYS 11 6.432 -4.916 -0.143
90 2HB LYS 11 2HB LYS 11 8.139 -5.224 -0.346
91 1HG LYS 11 1HG LYS 11 8.259 -3.133 1.383
92 2HG LYS 11 2HG LYS 11 6.680 -3.784 1.820
93 1HD LYS 11 1HD LYS 11 7.907 -6.055 1.966
94 2HD LYS 11 2HD LYS 11 9.383 -5.090 1.988
95 1HE LYS 11 1HE LYS 11 8.710 -3.976 3.991
96 2HE LYS 11 2HE LYS 11 7.099 -4.687 3.910
97 1HZ LYS 11 1HZ LYS 11 9.626 -6.191 4.335
98 2HZ LYS 11 2HZ LYS 11 8.493 -5.812 5.534
99 3HZ LYS 11 3HZ LYS 11 8.075 -6.863 4.276
100 H THR 12 H THR 12 5.484 -3.725 -2.854
101 HA THR 12 HA THR 12 3.830 -1.458 -1.898
102 HB THR 12 HB THR 12 2.708 -1.602 -4.233
103 HG1 THR 12 HG1 THR 12 3.549 -3.197 -5.366
104 1HG2 THR 12 1HG2 THR 12 5.430 -0.424 -3.746
105 2HG2 THR 12 2HG2 THR 12 4.581 -0.186 -5.273
106 3HG2 THR 12 3HG2 THR 12 3.862 0.383 -3.767
107 H ILE 13 H ILE 13 1.817 -1.770 -1.209
108 HA ILE 13 HA ILE 13 0.189 -4.102 -1.797
109 HB ILE 13 HB ILE 13 -0.380 -4.522 0.686
110 1HG1 ILE 13 1HG1 ILE 13 2.317 -4.202 1.775
111 2HG1 ILE 13 2HG1 ILE 13 1.743 -2.636 1.222
112 1HG2 ILE 13 1HG2 ILE 13 2.198 -5.520 -0.495
113 2HG2 ILE 13 2HG2 ILE 13 1.390 -6.242 0.899
114 3HG2 ILE 13 3HG2 ILE 13 0.584 -6.210 -0.672
115 1HD1 ILE 13 1HD1 ILE 13 0.228 -4.420 3.112
116 2HD1 ILE 13 2HD1 ILE 13 1.289 -3.102 3.612
117 3HD1 ILE 13 3HD1 ILE 13 -0.164 -2.757 2.672
118 H THR 14 H THR 14 -1.989 -3.815 -1.676
119 HA THR 14 HA THR 14 -3.023 -1.101 -1.357
120 HB THR 14 HB THR 14 -5.247 -2.152 -2.098
121 HG1 THR 14 HG1 THR 14 -5.041 -4.301 -1.919
122 1HG2 THR 14 1HG2 THR 14 -2.880 -1.703 -3.782
123 2HG2 THR 14 2HG2 THR 14 -4.198 -2.618 -4.515
124 3HG2 THR 14 3HG2 THR 14 -4.507 -1.015 -3.856
125 H LEU 15 H LEU 15 -4.573 -0.373 0.042
126 HA LEU 15 HA LEU 15 -5.351 -2.063 2.322
127 1HB LEU 15 1HB LEU 15 -3.901 0.311 2.416
128 2HB LEU 15 2HB LEU 15 -5.531 0.850 2.753
129 HG LEU 15 HG LEU 15 -4.969 -1.491 4.380
130 1HD1 LEU 15 1HD1 LEU 15 -2.605 -0.817 4.108
131 2HD1 LEU 15 2HD1 LEU 15 -3.002 0.746 4.823
132 3HD1 LEU 15 3HD1 LEU 15 -3.178 -0.728 5.774
133 1HD2 LEU 15 1HD2 LEU 15 -6.658 0.265 4.860
134 2HD2 LEU 15 2HD2 LEU 15 -5.594 -0.083 6.223
135 3HD2 LEU 15 3HD2 LEU 15 -5.344 1.371 5.259
136 H GLU 16 H GLU 16 -7.288 -2.825 1.985
137 HA GLU 16 HA GLU 16 -9.482 -1.147 0.938
138 1HB GLU 16 1HB GLU 16 -8.527 -3.839 0.084
139 2HB GLU 16 2HB GLU 16 -10.265 -3.584 0.095
140 1HG GLU 16 1HG GLU 16 -9.638 -1.419 -1.265
141 2HG GLU 16 2HG GLU 16 -8.163 -2.319 -1.610
142 H VAL 17 H VAL 17 -11.532 -1.355 1.785
143 HA VAL 17 HA VAL 17 -12.161 -3.287 3.886
144 HB VAL 17 HB VAL 17 -13.254 -1.453 5.349
145 1HG1 VAL 17 1HG1 VAL 17 -11.372 -2.823 6.039
146 2HG1 VAL 17 2HG1 VAL 17 -10.256 -1.650 5.340
147 3HG1 VAL 17 3HG1 VAL 17 -11.274 -1.193 6.705
148 1HG2 VAL 17 1HG2 VAL 17 -11.223 0.380 4.021
149 2HG2 VAL 17 2HG2 VAL 17 -12.975 0.572 3.988
150 3HG2 VAL 17 3HG2 VAL 17 -12.101 0.738 5.509
No H/Q in entry = 150
Start of MODEL 15
1 H1 MET 1 H1 MET 1 -14.221 1.245 -1.531
2 H2 MET 1 H2 MET 1 -14.914 2.639 -2.196
3 H3 MET 1 H3 MET 1 -13.991 1.605 -3.166
4 HA MET 1 HA MET 1 -12.693 3.497 -2.679
5 1HB MET 1 1HB MET 1 -12.076 4.099 -0.300
6 2HB MET 1 2HB MET 1 -13.720 4.457 -0.761
7 1HG MET 1 1HG MET 1 -13.159 1.944 0.784
8 2HG MET 1 2HG MET 1 -13.141 3.494 1.620
9 1HE MET 1 1HE MET 1 -15.086 5.162 1.602
10 2HE MET 1 2HE MET 1 -16.705 4.545 1.940
11 3HE MET 1 3HE MET 1 -15.350 4.072 2.965
12 H GLN 2 H GLN 2 -10.472 3.460 -2.591
13 HA GLN 2 HA GLN 2 -9.066 1.044 -1.689
14 1HB GLN 2 1HB GLN 2 -9.135 2.161 -4.459
15 2HB GLN 2 2HB GLN 2 -7.566 1.636 -3.867
16 1HG GLN 2 1HG GLN 2 -8.174 -0.575 -3.793
17 2HG GLN 2 2HG GLN 2 -9.889 -0.215 -3.601
18 2HE2 GLN 2 2HE2 GLN 2 -7.259 -0.624 -5.900
19 1HE2 GLN 2 1HE2 GLN 2 -8.255 -0.654 -7.311
20 H ILE 3 H ILE 3 -7.316 1.399 -0.511
21 HA ILE 3 HA ILE 3 -6.029 4.028 -0.487
22 HB ILE 3 HB ILE 3 -7.706 3.724 1.388
23 1HG1 ILE 3 1HG1 ILE 3 -5.491 4.411 3.090
24 2HG1 ILE 3 2HG1 ILE 3 -5.126 4.965 1.465
25 1HG2 ILE 3 1HG2 ILE 3 -5.861 1.632 2.460
26 2HG2 ILE 3 2HG2 ILE 3 -6.825 2.628 3.553
27 3HG2 ILE 3 3HG2 ILE 3 -7.620 1.637 2.330
28 1HD1 ILE 3 1HD1 ILE 3 -7.821 5.598 2.519
29 2HD1 ILE 3 2HD1 ILE 3 -6.445 6.445 3.230
30 3HD1 ILE 3 3HD1 ILE 3 -6.743 6.548 1.494
31 H PHE 4 H PHE 4 -3.991 3.982 -1.043
32 HA PHE 4 HA PHE 4 -2.374 1.526 -0.878
33 1HB PHE 4 1HB PHE 4 -2.695 3.652 -2.904
34 2HB PHE 4 2HB PHE 4 -1.029 3.188 -2.624
35 HD1 PHE 4 HD1 PHE 4 -4.448 1.974 -3.952
36 HD2 PHE 4 HD2 PHE 4 -0.074 0.987 -3.445
37 HE1 PHE 4 HE1 PHE 4 -4.685 0.034 -5.638
38 HE2 PHE 4 HE2 PHE 4 -0.331 -0.964 -5.127
39 HZ PHE 4 HZ PHE 4 -2.631 -1.439 -6.230
40 H VAL 5 H VAL 5 -0.325 1.442 -0.085
41 HA VAL 5 HA VAL 5 0.960 3.798 1.104
42 HB VAL 5 HB VAL 5 1.738 2.357 3.119
43 1HG1 VAL 5 1HG1 VAL 5 0.298 4.297 3.307
44 2HG1 VAL 5 2HG1 VAL 5 -1.122 3.285 3.045
45 3HG1 VAL 5 3HG1 VAL 5 -0.133 3.060 4.487
46 1HG2 VAL 5 1HG2 VAL 5 -0.771 0.742 2.519
47 2HG2 VAL 5 2HG2 VAL 5 0.881 0.126 2.564
48 3HG2 VAL 5 3HG2 VAL 5 0.120 0.710 4.044
49 H LYS 6 H LYS 6 3.084 4.007 0.823
50 HA LYS 6 HA LYS 6 4.641 1.808 -0.389
51 1HB LYS 6 1HB LYS 6 3.929 4.143 -1.628
52 2HB LYS 6 2HB LYS 6 5.506 4.575 -0.987
53 1HG LYS 6 1HG LYS 6 6.632 3.077 -2.330
54 2HG LYS 6 2HG LYS 6 5.236 2.017 -2.510
55 1HD LYS 6 1HD LYS 6 4.322 3.264 -4.217
56 2HD LYS 6 2HD LYS 6 5.082 4.767 -3.687
57 1HE LYS 6 1HE LYS 6 7.211 4.056 -4.542
58 2HE LYS 6 2HE LYS 6 6.581 2.450 -4.906
59 1HZ LYS 6 1HZ LYS 6 5.075 3.471 -6.523
60 2HZ LYS 6 2HZ LYS 6 5.747 4.990 -6.200
61 3HZ LYS 6 3HZ LYS 6 6.695 3.777 -6.900
62 H THR 7 H THR 7 6.746 1.453 0.169
63 HA THR 7 HA THR 7 7.943 2.875 2.479
64 HB THR 7 HB THR 7 9.108 0.613 2.967
65 HG1 THR 7 HG1 THR 7 6.885 -0.324 1.458
66 1HG2 THR 7 1HG2 THR 7 6.273 1.289 3.624
67 2HG2 THR 7 2HG2 THR 7 6.930 -0.265 4.140
68 3HG2 THR 7 3HG2 THR 7 7.690 1.235 4.672
69 H LEU 8 H LEU 8 10.169 3.215 2.532
70 HA LEU 8 HA LEU 8 11.572 3.650 0.080
71 1HB LEU 8 1HB LEU 8 11.786 4.473 2.784
72 2HB LEU 8 2HB LEU 8 13.331 3.765 2.369
73 HG LEU 8 HG LEU 8 12.727 5.476 0.192
74 1HD1 LEU 8 1HD1 LEU 8 12.069 6.852 2.795
75 2HD1 LEU 8 2HD1 LEU 8 12.428 7.688 1.282
76 3HD1 LEU 8 3HD1 LEU 8 11.012 6.642 1.397
77 1HD2 LEU 8 1HD2 LEU 8 14.955 5.043 1.163
78 2HD2 LEU 8 2HD2 LEU 8 14.640 6.759 0.900
79 3HD2 LEU 8 3HD2 LEU 8 14.539 6.083 2.525
80 H ASP 9 H ASP 9 11.478 0.827 2.114
81 HA ASP 9 HA ASP 9 14.029 -0.381 1.541
82 1HB ASP 9 1HB ASP 9 11.544 -1.256 2.948
83 2HB ASP 9 2HB ASP 9 12.650 -2.506 2.396
84 H GLY 10 H GLY 10 10.755 -0.730 0.101
85 1HA GLY 10 2HA GLY 10 11.810 -2.451 -2.083
86 2HA GLY 10 1HA GLY 10 10.722 -1.107 -2.377
87 H LYS 11 H LYS 11 8.697 -1.311 -0.651
88 HA LYS 11 HA LYS 11 7.307 -3.819 -1.336
89 1HB LYS 11 1HB LYS 11 7.651 -2.711 1.445
90 2HB LYS 11 2HB LYS 11 6.202 -3.611 1.041
91 1HG LYS 11 1HG LYS 11 7.237 -5.569 1.283
92 2HG LYS 11 2HG LYS 11 8.534 -5.100 0.196
93 1HD LYS 11 1HD LYS 11 9.938 -5.086 1.938
94 2HD LYS 11 2HD LYS 11 9.067 -3.711 2.605
95 1HE LYS 11 1HE LYS 11 7.473 -5.615 3.532
96 2HE LYS 11 2HE LYS 11 8.918 -6.604 3.328
97 1HZ LYS 11 1HZ LYS 11 8.749 -4.098 4.912
98 2HZ LYS 11 2HZ LYS 11 8.781 -5.664 5.550
99 3HZ LYS 11 3HZ LYS 11 10.131 -5.059 4.730
100 H THR 12 H THR 12 5.118 -3.687 -1.727
101 HA THR 12 HA THR 12 3.635 -1.172 -1.381
102 HB THR 12 HB THR 12 2.579 -1.575 -3.724
103 HG1 THR 12 HG1 THR 12 3.897 -2.593 -5.229
104 1HG2 THR 12 1HG2 THR 12 4.125 0.333 -3.020
105 2HG2 THR 12 2HG2 THR 12 5.412 -0.564 -3.827
106 3HG2 THR 12 3HG2 THR 12 4.014 -0.010 -4.747
107 H ILE 13 H ILE 13 1.673 -1.444 -0.556
108 HA ILE 13 HA ILE 13 0.040 -3.827 -0.950
109 HB ILE 13 HB ILE 13 -0.490 -4.065 1.552
110 1HG1 ILE 13 1HG1 ILE 13 2.216 -3.488 2.563
111 2HG1 ILE 13 2HG1 ILE 13 1.474 -2.019 1.953
112 1HG2 ILE 13 1HG2 ILE 13 2.154 -5.045 0.491
113 2HG2 ILE 13 2HG2 ILE 13 1.329 -5.699 1.906
114 3HG2 ILE 13 3HG2 ILE 13 0.572 -5.810 0.315
115 1HD1 ILE 13 1HD1 ILE 13 0.171 -3.830 3.971
116 2HD1 ILE 13 2HD1 ILE 13 1.152 -2.423 4.389
117 3HD1 ILE 13 3HD1 ILE 13 -0.349 -2.216 3.484
118 H THR 14 H THR 14 -2.137 -3.591 -0.789
119 HA THR 14 HA THR 14 -3.251 -1.003 0.042
120 HB THR 14 HB THR 14 -3.219 -0.875 -2.379
121 HG1 THR 14 HG1 THR 14 -5.224 -0.128 -2.602
122 1HG2 THR 14 1HG2 THR 14 -3.328 -3.257 -3.081
123 2HG2 THR 14 2HG2 THR 14 -5.027 -3.306 -2.604
124 3HG2 THR 14 3HG2 THR 14 -4.512 -2.249 -3.920
125 H LEU 15 H LEU 15 -5.304 -0.895 0.929
126 HA LEU 15 HA LEU 15 -6.519 -3.398 1.911
127 1HB LEU 15 1HB LEU 15 -5.210 -1.564 3.455
128 2HB LEU 15 2HB LEU 15 -6.855 -0.976 3.570
129 HG LEU 15 HG LEU 15 -6.925 -3.825 4.029
130 1HD1 LEU 15 1HD1 LEU 15 -4.868 -2.413 5.719
131 2HD1 LEU 15 2HD1 LEU 15 -5.573 -3.989 6.080
132 3HD1 LEU 15 3HD1 LEU 15 -4.595 -3.771 4.628
133 1HD2 LEU 15 1HD2 LEU 15 -8.510 -2.116 4.904
134 2HD2 LEU 15 2HD2 LEU 15 -7.930 -3.249 6.124
135 3HD2 LEU 15 3HD2 LEU 15 -7.269 -1.616 6.052
136 H GLU 16 H GLU 16 -8.655 -3.700 1.720
137 HA GLU 16 HA GLU 16 -10.449 -1.540 0.800
138 1HB GLU 16 1HB GLU 16 -9.897 -4.184 -0.481
139 2HB GLU 16 2HB GLU 16 -11.549 -3.589 -0.528
140 1HG GLU 16 1HG GLU 16 -10.639 -1.462 -1.536
141 2HG GLU 16 2HG GLU 16 -9.088 -2.284 -1.683
142 H VAL 17 H VAL 17 -12.564 -1.542 1.490
143 HA VAL 17 HA VAL 17 -13.300 -3.348 3.699
144 HB VAL 17 HB VAL 17 -15.140 -1.614 4.256
145 1HG1 VAL 17 1HG1 VAL 17 -13.070 -2.076 5.551
146 2HG1 VAL 17 2HG1 VAL 17 -12.324 -0.699 4.740
147 3HG1 VAL 17 3HG1 VAL 17 -13.739 -0.458 5.765
148 1HG2 VAL 17 1HG2 VAL 17 -15.010 -0.127 2.268
149 2HG2 VAL 17 2HG2 VAL 17 -14.732 0.754 3.769
150 3HG2 VAL 17 3HG2 VAL 17 -13.369 0.333 2.731
No H/Q in entry = 150
Start of MODEL 16
1 H1 MET 1 H1 MET 1 -13.909 0.652 -1.995
2 H2 MET 1 H2 MET 1 -13.891 0.377 -0.325
3 H3 MET 1 H3 MET 1 -14.862 1.601 -0.970
4 HA MET 1 HA MET 1 -12.974 2.869 -1.634
5 1HB MET 1 1HB MET 1 -13.854 2.470 0.943
6 2HB MET 1 2HB MET 1 -12.128 2.202 1.127
7 1HG MET 1 1HG MET 1 -11.612 4.378 0.803
8 2HG MET 1 2HG MET 1 -12.921 4.644 -0.348
9 1HE MET 1 1HE MET 1 -11.758 4.284 3.180
10 2HE MET 1 2HE MET 1 -11.851 6.043 3.066
11 3HE MET 1 3HE MET 1 -12.922 5.172 4.164
12 H GLN 2 H GLN 2 -10.830 3.141 -2.102
13 HA GLN 2 HA GLN 2 -8.901 0.967 -1.656
14 1HB GLN 2 1HB GLN 2 -9.643 2.221 -4.278
15 2HB GLN 2 2HB GLN 2 -7.956 1.794 -4.013
16 1HG GLN 2 1HG GLN 2 -8.445 -0.491 -3.816
17 2HG GLN 2 2HG GLN 2 -10.168 -0.193 -3.598
18 2HE2 GLN 2 2HE2 GLN 2 -7.554 -0.472 -5.930
19 1HE2 GLN 2 1HE2 GLN 2 -8.563 -0.500 -7.332
20 H ILE 3 H ILE 3 -7.044 1.532 -0.812
21 HA ILE 3 HA ILE 3 -5.844 4.163 -1.059
22 HB ILE 3 HB ILE 3 -5.361 4.258 1.511
23 1HG1 ILE 3 2HG1 ILE 3 -8.024 3.435 2.379
24 2HG1 ILE 3 1HG1 ILE 3 -7.246 2.067 1.604
25 1HG2 ILE 3 1HG2 ILE 3 -6.565 5.940 0.228
26 2HG2 ILE 3 2HG2 ILE 3 -8.076 5.063 0.477
27 3HG2 ILE 3 3HG2 ILE 3 -7.230 5.772 1.852
28 1HD1 ILE 3 1HD1 ILE 3 -5.932 3.637 3.796
29 2HD1 ILE 3 2HD1 ILE 3 -6.991 2.259 4.095
30 3HD1 ILE 3 3HD1 ILE 3 -5.499 2.042 3.179
31 H PHE 4 H PHE 4 -3.805 4.030 -1.474
32 HA PHE 4 HA PHE 4 -2.319 1.532 -1.079
33 1HB PHE 4 1HB PHE 4 -2.403 3.632 -3.154
34 2HB PHE 4 2HB PHE 4 -0.785 3.088 -2.768
35 HD1 PHE 4 HD1 PHE 4 -4.187 2.014 -4.266
36 HD2 PHE 4 HD2 PHE 4 0.104 0.840 -3.506
37 HE1 PHE 4 HE1 PHE 4 -4.425 0.050 -5.922
38 HE2 PHE 4 HE2 PHE 4 -0.147 -1.117 -5.180
39 HZ PHE 4 HZ PHE 4 -2.408 -1.516 -6.391
40 H VAL 5 H VAL 5 -0.320 1.353 -0.169
41 HA VAL 5 HA VAL 5 1.004 3.663 1.062
42 HB VAL 5 HB VAL 5 1.619 2.211 3.126
43 1HG1 VAL 5 1HG1 VAL 5 0.240 4.209 3.212
44 2HG1 VAL 5 2HG1 VAL 5 -1.199 3.237 2.907
45 3HG1 VAL 5 3HG1 VAL 5 -0.278 3.006 4.393
46 1HG2 VAL 5 1HG2 VAL 5 0.563 0.033 2.326
47 2HG2 VAL 5 2HG2 VAL 5 0.129 0.530 3.961
48 3HG2 VAL 5 3HG2 VAL 5 -1.008 0.772 2.632
49 H LYS 6 H LYS 6 3.111 3.818 0.767
50 HA LYS 6 HA LYS 6 4.724 1.512 -0.131
51 1HB LYS 6 1HB LYS 6 3.903 3.514 -1.819
52 2HB LYS 6 2HB LYS 6 5.451 4.146 -1.285
53 1HG LYS 6 1HG LYS 6 6.570 2.130 -2.076
54 2HG LYS 6 2HG LYS 6 5.020 1.447 -2.570
55 1HD LYS 6 1HD LYS 6 4.811 2.851 -4.387
56 2HD LYS 6 2HD LYS 6 5.803 4.122 -3.668
57 1HE LYS 6 1HE LYS 6 7.806 2.987 -4.179
58 2HE LYS 6 2HE LYS 6 6.959 1.479 -4.527
59 1HZ LYS 6 1HZ LYS 6 6.648 3.956 -6.133
60 2HZ LYS 6 2HZ LYS 6 7.723 2.708 -6.523
61 3HZ LYS 6 3HZ LYS 6 6.058 2.415 -6.506
62 H THR 7 H THR 7 6.846 1.380 0.495
63 HA THR 7 HA THR 7 7.977 3.412 2.300
64 HB THR 7 HB THR 7 7.211 1.652 3.789
65 HG1 THR 7 HG1 THR 7 8.990 1.576 4.988
66 1HG2 THR 7 1HG2 THR 7 8.508 -0.289 1.974
67 2HG2 THR 7 2HG2 THR 7 8.761 -0.579 3.695
68 3HG2 THR 7 3HG2 THR 7 7.122 -0.493 3.046
69 H LEU 8 H LEU 8 10.325 3.455 2.556
70 HA LEU 8 HA LEU 8 11.773 3.596 0.097
71 1HB LEU 8 1HB LEU 8 12.062 4.544 2.769
72 2HB LEU 8 2HB LEU 8 13.556 3.736 2.350
73 HG LEU 8 HG LEU 8 12.958 5.390 0.115
74 1HD1 LEU 8 1HD1 LEU 8 12.530 6.900 2.688
75 2HD1 LEU 8 2HD1 LEU 8 12.854 7.650 1.125
76 3HD1 LEU 8 3HD1 LEU 8 11.385 6.702 1.361
77 1HD2 LEU 8 1HD2 LEU 8 15.197 4.822 1.054
78 2HD2 LEU 8 2HD2 LEU 8 14.995 6.521 0.631
79 3HD2 LEU 8 3HD2 LEU 8 14.914 6.018 2.319
80 H ASP 9 H ASP 9 11.443 0.933 2.306
81 HA ASP 9 HA ASP 9 13.890 -0.515 1.860
82 1HB ASP 9 1HB ASP 9 11.272 -1.185 3.176
83 2HB ASP 9 2HB ASP 9 12.434 -2.465 2.847
84 H GLY 10 H GLY 10 10.648 -0.643 0.336
85 1HA GLY 10 2HA GLY 10 11.605 -2.550 -1.734
86 2HA GLY 10 1HA GLY 10 10.575 -1.175 -2.086
87 H LYS 11 H LYS 11 8.460 -1.143 -0.682
88 HA LYS 11 HA LYS 11 7.075 -3.733 -0.981
89 1HB LYS 11 1HB LYS 11 7.142 -2.024 1.490
90 2HB LYS 11 2HB LYS 11 5.704 -2.955 1.131
91 1HG LYS 11 1HG LYS 11 6.976 -5.014 1.228
92 2HG LYS 11 2HG LYS 11 8.468 -4.102 1.483
93 1HD LYS 11 1HD LYS 11 7.271 -3.108 3.541
94 2HD LYS 11 2HD LYS 11 6.121 -4.433 3.338
95 1HE LYS 11 1HE LYS 11 8.165 -5.967 3.370
96 2HE LYS 11 2HE LYS 11 9.051 -4.563 3.970
97 1HZ LYS 11 1HZ LYS 11 7.461 -4.436 5.813
98 2HZ LYS 11 2HZ LYS 11 6.696 -5.837 5.254
99 3HZ LYS 11 3HZ LYS 11 8.295 -5.908 5.799
100 H THR 12 H THR 12 4.955 -3.681 -1.669
101 HA THR 12 HA THR 12 3.444 -1.204 -1.945
102 HB THR 12 HB THR 12 2.770 -1.887 -4.371
103 HG1 THR 12 HG1 THR 12 5.308 -3.174 -4.186
104 1HG2 THR 12 1HG2 THR 12 4.237 0.108 -3.577
105 2HG2 THR 12 2HG2 THR 12 5.571 -0.827 -4.252
106 3HG2 THR 12 3HG2 THR 12 4.234 -0.328 -5.287
107 H ILE 13 H ILE 13 1.628 -1.549 -0.947
108 HA ILE 13 HA ILE 13 -0.114 -3.830 -1.456
109 HB ILE 13 HB ILE 13 -0.597 -4.193 1.058
110 1HG1 ILE 13 1HG1 ILE 13 2.205 -3.859 1.945
111 2HG1 ILE 13 2HG1 ILE 13 1.490 -2.313 1.520
112 1HG2 ILE 13 1HG2 ILE 13 1.908 -5.292 -0.203
113 2HG2 ILE 13 2HG2 ILE 13 1.117 -5.976 1.217
114 3HG2 ILE 13 3HG2 ILE 13 0.268 -5.928 -0.329
115 1HD1 ILE 13 1HD1 ILE 13 0.157 -4.220 3.418
116 2HD1 ILE 13 2HD1 ILE 13 1.343 -3.026 3.945
117 3HD1 ILE 13 3HD1 ILE 13 -0.162 -2.500 3.187
118 H THR 14 H THR 14 -2.268 -3.509 -1.229
119 HA THR 14 HA THR 14 -3.223 -0.893 -0.275
120 HB THR 14 HB THR 14 -3.418 -0.751 -2.672
121 HG1 THR 14 HG1 THR 14 -5.110 0.279 -1.837
122 1HG2 THR 14 1HG2 THR 14 -3.617 -3.262 -3.201
123 2HG2 THR 14 2HG2 THR 14 -5.345 -3.065 -2.906
124 3HG2 THR 14 3HG2 THR 14 -4.559 -2.142 -4.188
125 H LEU 15 H LEU 15 -5.146 -0.686 0.793
126 HA LEU 15 HA LEU 15 -6.328 -3.111 1.987
127 1HB LEU 15 1HB LEU 15 -5.022 -1.114 3.296
128 2HB LEU 15 2HB LEU 15 -6.664 -0.509 3.372
129 HG LEU 15 HG LEU 15 -6.704 -3.296 4.154
130 1HD1 LEU 15 1HD1 LEU 15 -4.687 -1.658 5.680
131 2HD1 LEU 15 2HD1 LEU 15 -5.344 -3.213 6.193
132 3HD1 LEU 15 3HD1 LEU 15 -4.366 -3.108 4.729
133 1HD2 LEU 15 1HD2 LEU 15 -8.297 -1.469 4.815
134 2HD2 LEU 15 2HD2 LEU 15 -7.761 -2.516 6.129
135 3HD2 LEU 15 3HD2 LEU 15 -7.068 -0.904 5.948
136 H GLU 16 H GLU 16 -8.416 -3.539 1.721
137 HA GLU 16 HA GLU 16 -10.289 -1.524 0.632
138 1HB GLU 16 1HB GLU 16 -9.633 -4.261 -0.387
139 2HB GLU 16 2HB GLU 16 -11.289 -3.697 -0.544
140 1HG GLU 16 1HG GLU 16 -10.260 -1.611 -1.655
141 2HG GLU 16 2HG GLU 16 -8.796 -2.581 -1.802
142 H VAL 17 H VAL 17 -12.407 -1.538 1.280
143 HA VAL 17 HA VAL 17 -13.338 -3.481 3.290
144 HB VAL 17 HB VAL 17 -14.619 -1.581 4.491
145 1HG1 VAL 17 1HG1 VAL 17 -12.752 -2.896 5.421
146 2HG1 VAL 17 2HG1 VAL 17 -11.644 -1.631 4.893
147 3HG1 VAL 17 3HG1 VAL 17 -12.887 -1.270 6.090
148 1HG2 VAL 17 1HG2 VAL 17 -12.455 0.206 3.317
149 2HG2 VAL 17 2HG2 VAL 17 -14.189 0.358 3.036
150 3HG2 VAL 17 3HG2 VAL 17 -13.531 0.639 4.648
No H/Q in entry = 150
Start of MODEL 17
1 H1 MET 1 H1 MET 1 -14.290 1.161 -2.900
2 H2 MET 1 H2 MET 1 -15.038 1.506 -1.424
3 H3 MET 1 H3 MET 1 -15.360 2.465 -2.781
4 HA MET 1 HA MET 1 -13.324 3.476 -2.768
5 1HB MET 1 1HB MET 1 -12.949 4.317 -0.413
6 2HB MET 1 2HB MET 1 -14.580 4.484 -1.011
7 1HG MET 1 1HG MET 1 -13.869 2.189 0.805
8 2HG MET 1 2HG MET 1 -14.158 3.795 1.468
9 1HE MET 1 1HE MET 1 -16.287 5.142 1.106
10 2HE MET 1 2HE MET 1 -17.844 4.339 1.320
11 3HE MET 1 3HE MET 1 -16.579 4.147 2.534
12 H GLN 2 H GLN 2 -11.148 3.490 -2.756
13 HA GLN 2 HA GLN 2 -9.607 1.335 -1.472
14 1HB GLN 2 1HB GLN 2 -9.833 1.914 -4.367
15 2HB GLN 2 2HB GLN 2 -8.185 1.739 -3.790
16 1HG GLN 2 1HG GLN 2 -8.380 -0.482 -3.480
17 2HG GLN 2 2HG GLN 2 -10.050 -0.376 -2.925
18 2HE2 GLN 2 2HE2 GLN 2 -7.946 -0.738 -5.716
19 1HE2 GLN 2 1HE2 GLN 2 -9.197 -1.155 -6.834
20 H ILE 3 H ILE 3 -7.611 1.814 -0.700
21 HA ILE 3 HA ILE 3 -6.371 4.422 -1.115
22 HB ILE 3 HB ILE 3 -5.741 4.519 1.369
23 1HG1 ILE 3 1HG1 ILE 3 -6.635 2.420 2.319
24 2HG1 ILE 3 2HG1 ILE 3 -7.300 3.797 3.146
25 1HG2 ILE 3 1HG2 ILE 3 -7.122 6.127 0.074
26 2HG2 ILE 3 2HG2 ILE 3 -8.548 5.396 0.814
27 3HG2 ILE 3 3HG2 ILE 3 -7.324 6.163 1.826
28 1HD1 ILE 3 1HD1 ILE 3 -9.370 3.140 1.447
29 2HD1 ILE 3 2HD1 ILE 3 -8.654 1.561 1.764
30 3HD1 ILE 3 3HD1 ILE 3 -9.209 2.565 3.105
31 H PHE 4 H PHE 4 -4.327 4.324 -1.564
32 HA PHE 4 HA PHE 4 -2.824 1.812 -1.377
33 1HB PHE 4 1HB PHE 4 -2.942 4.098 -3.215
34 2HB PHE 4 2HB PHE 4 -1.302 3.605 -2.863
35 HD1 PHE 4 HD1 PHE 4 -4.655 2.424 -4.428
36 HD2 PHE 4 HD2 PHE 4 -0.249 1.617 -3.915
37 HE1 PHE 4 HE1 PHE 4 -4.757 0.661 -6.318
38 HE2 PHE 4 HE2 PHE 4 -0.358 -0.135 -5.820
39 HZ PHE 4 HZ PHE 4 -2.605 -0.612 -7.026
40 H VAL 5 H VAL 5 -0.781 1.552 -0.523
41 HA VAL 5 HA VAL 5 0.596 3.709 0.893
42 HB VAL 5 HB VAL 5 1.097 2.141 2.902
43 1HG1 VAL 5 1HG1 VAL 5 -0.131 4.202 3.101
44 2HG1 VAL 5 2HG1 VAL 5 -1.629 3.385 2.655
45 3HG1 VAL 5 3HG1 VAL 5 -0.815 2.971 4.163
46 1HG2 VAL 5 1HG2 VAL 5 -0.005 0.042 2.102
47 2HG2 VAL 5 2HG2 VAL 5 -0.612 0.580 3.667
48 3HG2 VAL 5 3HG2 VAL 5 -1.569 0.851 2.212
49 H LYS 6 H LYS 6 2.759 3.697 0.811
50 HA LYS 6 HA LYS 6 4.200 1.368 -0.298
51 1HB LYS 6 1HB LYS 6 3.746 3.739 -1.638
52 2HB LYS 6 2HB LYS 6 5.344 4.004 -0.959
53 1HG LYS 6 1HG LYS 6 6.298 2.257 -2.173
54 2HG LYS 6 2HG LYS 6 4.739 1.494 -2.488
55 1HD LYS 6 1HD LYS 6 4.167 3.074 -4.129
56 2HD LYS 6 2HD LYS 6 5.408 4.211 -3.596
57 1HE LYS 6 1HE LYS 6 7.145 2.868 -4.496
58 2HE LYS 6 2HE LYS 6 6.052 1.510 -4.758
59 1HZ LYS 6 1HZ LYS 6 5.892 4.120 -6.166
60 2HZ LYS 6 2HZ LYS 6 6.562 2.706 -6.812
61 3HZ LYS 6 3HZ LYS 6 4.911 2.772 -6.449
62 H THR 7 H THR 7 6.251 0.897 0.407
63 HA THR 7 HA THR 7 7.251 2.188 2.880
64 HB THR 7 HB THR 7 8.584 -0.017 3.137
65 HG1 THR 7 HG1 THR 7 8.084 -1.666 1.896
66 1HG2 THR 7 1HG2 THR 7 5.650 0.305 3.617
67 2HG2 THR 7 2HG2 THR 7 6.424 -1.237 3.981
68 3HG2 THR 7 3HG2 THR 7 6.980 0.237 4.775
69 H LEU 8 H LEU 8 9.427 2.682 3.197
70 HA LEU 8 HA LEU 8 10.985 3.638 1.006
71 1HB LEU 8 1HB LEU 8 11.356 3.519 3.995
72 2HB LEU 8 2HB LEU 8 12.749 3.884 3.030
73 HG LEU 8 HG LEU 8 11.879 5.892 4.068
74 1HD1 LEU 8 1HD1 LEU 8 11.418 6.092 1.107
75 2HD1 LEU 8 2HD1 LEU 8 11.538 7.462 2.210
76 3HD1 LEU 8 3HD1 LEU 8 12.917 6.383 1.989
77 1HD2 LEU 8 1HD2 LEU 8 9.219 5.465 2.714
78 2HD2 LEU 8 2HD2 LEU 8 9.560 5.417 4.445
79 3HD2 LEU 8 3HD2 LEU 8 9.702 6.935 3.561
80 H ASP 9 H ASP 9 11.011 0.512 2.577
81 HA ASP 9 HA ASP 9 13.700 -0.363 2.040
82 1HB ASP 9 1HB ASP 9 11.625 -1.295 3.627
83 2HB ASP 9 2HB ASP 9 11.763 -2.529 2.381
84 H GLY 10 H GLY 10 10.597 -0.756 0.287
85 1HA GLY 10 2HA GLY 10 11.964 -2.042 -2.020
86 2HA GLY 10 1HA GLY 10 10.754 -0.785 -2.204
87 H LYS 11 H LYS 11 8.688 -1.487 -0.617
88 HA LYS 11 HA LYS 11 7.614 -3.971 -1.784
89 1HB LYS 11 1HB LYS 11 8.031 -3.432 1.081
90 2HB LYS 11 2HB LYS 11 6.380 -3.883 0.710
91 1HG LYS 11 1HG LYS 11 6.946 -6.025 0.690
92 2HG LYS 11 2HG LYS 11 8.040 -5.742 -0.655
93 1HD LYS 11 1HD LYS 11 9.773 -6.263 0.660
94 2HD LYS 11 2HD LYS 11 9.427 -4.869 1.674
95 1HE LYS 11 1HE LYS 11 9.353 -6.529 3.247
96 2HE LYS 11 2HE LYS 11 7.661 -6.535 2.750
97 1HZ LYS 11 1HZ LYS 11 8.210 -8.358 1.207
98 2HZ LYS 11 2HZ LYS 11 9.789 -8.387 1.815
99 3HZ LYS 11 3HZ LYS 11 8.487 -8.772 2.823
100 H THR 12 H THR 12 5.436 -3.992 -2.304
101 HA THR 12 HA THR 12 3.779 -1.601 -1.809
102 HB THR 12 HB THR 12 2.778 -1.971 -4.175
103 HG1 THR 12 HG1 THR 12 5.323 -3.204 -4.534
104 1HG2 THR 12 1HG2 THR 12 4.158 0.001 -3.448
105 2HG2 THR 12 2HG2 THR 12 5.568 -0.825 -4.114
106 3HG2 THR 12 3HG2 THR 12 4.233 -0.366 -5.171
107 H ILE 13 H ILE 13 1.822 -1.945 -1.060
108 HA ILE 13 HA ILE 13 0.206 -4.300 -1.557
109 HB ILE 13 HB ILE 13 -0.328 -4.650 0.953
110 1HG1 ILE 13 1HG1 ILE 13 2.410 -4.316 1.954
111 2HG1 ILE 13 2HG1 ILE 13 1.802 -2.763 1.403
112 1HG2 ILE 13 1HG2 ILE 13 2.219 -5.705 -0.251
113 2HG2 ILE 13 2HG2 ILE 13 1.420 -6.388 1.166
114 3HG2 ILE 13 3HG2 ILE 13 0.595 -6.377 -0.394
115 1HD1 ILE 13 1HD1 ILE 13 0.362 -4.535 3.363
116 2HD1 ILE 13 2HD1 ILE 13 1.443 -3.217 3.818
117 3HD1 ILE 13 3HD1 ILE 13 -0.042 -2.873 2.929
118 H THR 14 H THR 14 -1.952 -3.973 -1.497
119 HA THR 14 HA THR 14 -2.968 -1.254 -1.193
120 HB THR 14 HB THR 14 -5.192 -2.301 -1.962
121 HG1 THR 14 HG1 THR 14 -5.162 -4.408 -2.069
122 1HG2 THR 14 1HG2 THR 14 -3.342 -1.117 -3.408
123 2HG2 THR 14 2HG2 THR 14 -3.221 -2.723 -4.129
124 3HG2 THR 14 3HG2 THR 14 -4.766 -1.868 -4.128
125 H LEU 15 H LEU 15 -4.551 -0.508 0.159
126 HA LEU 15 HA LEU 15 -5.345 -2.155 2.465
127 1HB LEU 15 1HB LEU 15 -3.946 0.167 2.600
128 2HB LEU 15 2HB LEU 15 -5.570 0.820 2.616
129 HG LEU 15 HG LEU 15 -5.442 -1.345 4.540
130 1HD1 LEU 15 1HD1 LEU 15 -3.280 0.723 4.884
131 2HD1 LEU 15 2HD1 LEU 15 -3.847 -0.366 6.150
132 3HD1 LEU 15 3HD1 LEU 15 -3.071 -1.020 4.707
133 1HD2 LEU 15 1HD2 LEU 15 -7.034 0.535 4.600
134 2HD2 LEU 15 2HD2 LEU 15 -6.166 0.333 6.124
135 3HD2 LEU 15 3HD2 LEU 15 -5.710 1.623 5.012
136 H GLU 16 H GLU 16 -7.274 -2.985 2.187
137 HA GLU 16 HA GLU 16 -9.493 -1.455 0.978
138 1HB GLU 16 1HB GLU 16 -8.420 -4.143 0.260
139 2HB GLU 16 2HB GLU 16 -10.168 -3.956 0.225
140 1HG GLU 16 1HG GLU 16 -9.597 -1.830 -1.213
141 2HG GLU 16 2HG GLU 16 -8.077 -2.676 -1.485
142 H VAL 17 H VAL 17 -11.552 -1.699 1.782
143 HA VAL 17 HA VAL 17 -11.873 -3.035 4.389
144 HB VAL 17 HB VAL 17 -14.021 -1.613 4.642
145 1HG1 VAL 17 1HG1 VAL 17 -12.020 -1.293 5.963
146 2HG1 VAL 17 2HG1 VAL 17 -11.360 -0.215 4.732
147 3HG1 VAL 17 3HG1 VAL 17 -12.812 0.245 5.621
148 1HG2 VAL 17 1HG2 VAL 17 -14.151 -0.680 2.299
149 2HG2 VAL 17 2HG2 VAL 17 -14.205 0.545 3.569
150 3HG2 VAL 17 3HG2 VAL 17 -12.718 0.284 2.657
No H/Q in entry = 150
Start of MODEL 18
1 H1 MET 1 H1 MET 1 -14.143 0.185 -2.029
2 H2 MET 1 H2 MET 1 -14.043 -0.016 -0.352
3 H3 MET 1 H3 MET 1 -15.144 1.087 -1.008
4 HA MET 1 HA MET 1 -13.384 2.474 -1.815
5 1HB MET 1 1HB MET 1 -14.207 2.178 0.787
6 2HB MET 1 2HB MET 1 -12.463 2.055 0.972
7 1HG MET 1 1HG MET 1 -12.110 4.241 0.388
8 2HG MET 1 2HG MET 1 -13.559 4.328 -0.614
9 1HE MET 1 1HE MET 1 -15.981 4.366 0.359
10 2HE MET 1 2HE MET 1 -16.286 5.556 1.627
11 3HE MET 1 3HE MET 1 -15.388 6.020 0.180
12 H GLN 2 H GLN 2 -11.268 2.923 -2.300
13 HA GLN 2 HA GLN 2 -9.156 0.945 -1.775
14 1HB GLN 2 1HB GLN 2 -10.062 1.969 -4.433
15 2HB GLN 2 2HB GLN 2 -8.330 1.801 -4.192
16 1HG GLN 2 1HG GLN 2 -8.462 -0.509 -3.918
17 2HG GLN 2 2HG GLN 2 -10.196 -0.466 -3.602
18 2HE2 GLN 2 2HE2 GLN 2 -7.705 -0.449 -6.081
19 1HE2 GLN 2 1HE2 GLN 2 -8.775 -0.694 -7.416
20 H ILE 3 H ILE 3 -7.341 1.704 -0.987
21 HA ILE 3 HA ILE 3 -6.353 4.399 -1.376
22 HB ILE 3 HB ILE 3 -5.869 4.678 1.182
23 1HG1 ILE 3 1HG1 ILE 3 -8.474 3.716 2.098
24 2HG1 ILE 3 2HG1 ILE 3 -7.581 2.368 1.418
25 1HG2 ILE 3 1HG2 ILE 3 -7.275 6.110 -0.309
26 2HG2 ILE 3 2HG2 ILE 3 -8.686 5.230 0.279
27 3HG2 ILE 3 3HG2 ILE 3 -7.700 6.166 1.403
28 1HD1 ILE 3 1HD1 ILE 3 -6.378 4.172 3.486
29 2HD1 ILE 3 2HD1 ILE 3 -7.385 2.787 3.907
30 3HD1 ILE 3 3HD1 ILE 3 -5.882 2.546 3.014
31 H PHE 4 H PHE 4 -4.336 4.352 -1.852
32 HA PHE 4 HA PHE 4 -2.691 1.965 -1.483
33 1HB PHE 4 1HB PHE 4 -2.808 4.238 -3.367
34 2HB PHE 4 2HB PHE 4 -1.186 3.701 -2.995
35 HD1 PHE 4 HD1 PHE 4 -4.562 2.597 -4.572
36 HD2 PHE 4 HD2 PHE 4 -0.181 1.681 -4.025
37 HE1 PHE 4 HE1 PHE 4 -4.698 0.821 -6.447
38 HE2 PHE 4 HE2 PHE 4 -0.324 -0.085 -5.916
39 HZ PHE 4 HZ PHE 4 -2.577 -0.514 -7.131
40 H VAL 5 H VAL 5 -0.681 1.819 -0.563
41 HA VAL 5 HA VAL 5 0.629 4.060 0.760
42 HB VAL 5 HB VAL 5 1.049 2.662 2.911
43 1HG1 VAL 5 1HG1 VAL 5 -0.181 4.744 2.869
44 2HG1 VAL 5 2HG1 VAL 5 -1.668 3.877 2.488
45 3HG1 VAL 5 3HG1 VAL 5 -0.872 3.621 4.041
46 1HG2 VAL 5 1HG2 VAL 5 -0.031 0.509 2.272
47 2HG2 VAL 5 2HG2 VAL 5 -0.722 1.194 3.745
48 3HG2 VAL 5 3HG2 VAL 5 -1.593 1.324 2.217
49 H LYS 6 H LYS 6 2.785 4.035 0.679
50 HA LYS 6 HA LYS 6 4.207 1.622 -0.269
51 1HB LYS 6 1HB LYS 6 3.875 3.926 -1.694
52 2HB LYS 6 2HB LYS 6 5.399 4.267 -0.893
53 1HG LYS 6 1HG LYS 6 6.468 2.425 -1.923
54 2HG LYS 6 2HG LYS 6 4.937 1.742 -2.470
55 1HD LYS 6 1HD LYS 6 4.763 3.169 -4.249
56 2HD LYS 6 2HD LYS 6 5.617 4.483 -3.441
57 1HE LYS 6 1HE LYS 6 7.730 3.491 -3.874
58 2HE LYS 6 2HE LYS 6 6.991 1.971 -4.377
59 1HZ LYS 6 1HZ LYS 6 6.014 3.167 -6.276
60 2HZ LYS 6 2HZ LYS 6 6.843 4.566 -5.813
61 3HZ LYS 6 3HZ LYS 6 7.707 3.195 -6.297
62 H THR 7 H THR 7 6.219 1.100 0.497
63 HA THR 7 HA THR 7 7.238 2.407 2.954
64 HB THR 7 HB THR 7 8.375 0.093 3.340
65 HG1 THR 7 HG1 THR 7 7.948 -1.190 1.700
66 1HG2 THR 7 1HG2 THR 7 5.479 0.707 3.794
67 2HG2 THR 7 2HG2 THR 7 6.149 -0.844 4.301
68 3HG2 THR 7 3HG2 THR 7 6.806 0.657 4.954
69 H LEU 8 H LEU 8 9.432 2.764 3.260
70 HA LEU 8 HA LEU 8 11.078 3.432 1.027
71 1HB LEU 8 1HB LEU 8 11.366 3.512 3.994
72 2HB LEU 8 2HB LEU 8 12.824 3.670 3.036
73 HG LEU 8 HG LEU 8 10.839 5.462 1.933
74 1HD1 LEU 8 1HD1 LEU 8 9.823 5.318 4.206
75 2HD1 LEU 8 2HD1 LEU 8 11.313 6.004 4.853
76 3HD1 LEU 8 3HD1 LEU 8 10.333 6.935 3.720
77 1HD2 LEU 8 1HD2 LEU 8 13.421 5.981 3.403
78 2HD2 LEU 8 2HD2 LEU 8 13.194 5.840 1.659
79 3HD2 LEU 8 3HD2 LEU 8 12.495 7.204 2.531
80 H ASP 9 H ASP 9 10.778 0.397 2.670
81 HA ASP 9 HA ASP 9 13.378 -0.776 2.345
82 1HB ASP 9 1HB ASP 9 11.210 -1.467 3.814
83 2HB ASP 9 2HB ASP 9 11.040 -2.603 2.482
84 H GLY 10 H GLY 10 10.452 -0.766 0.286
85 1HA GLY 10 2HA GLY 10 11.915 -2.059 -1.951
86 2HA GLY 10 1HA GLY 10 10.701 -0.811 -2.147
87 H LYS 11 H LYS 11 8.567 -1.630 -0.673
88 HA LYS 11 HA LYS 11 7.519 -3.912 -2.153
89 1HB LYS 11 1HB LYS 11 6.393 -4.919 -0.081
90 2HB LYS 11 2HB LYS 11 8.101 -5.223 -0.266
91 1HG LYS 11 1HG LYS 11 8.292 -3.182 1.437
92 2HG LYS 11 2HG LYS 11 6.640 -3.657 1.829
93 1HD LYS 11 1HD LYS 11 7.703 -6.060 2.015
94 2HD LYS 11 2HD LYS 11 9.205 -5.161 2.209
95 1HE LYS 11 1HE LYS 11 8.598 -5.351 4.395
96 2HE LYS 11 2HE LYS 11 7.765 -3.847 4.014
97 1HZ LYS 11 1HZ LYS 11 5.763 -5.236 3.537
98 2HZ LYS 11 2HZ LYS 11 6.593 -6.571 4.163
99 3HZ LYS 11 3HZ LYS 11 6.251 -5.246 5.158
100 H THR 12 H THR 12 5.455 -3.739 -2.818
101 HA THR 12 HA THR 12 3.802 -1.461 -1.886
102 HB THR 12 HB THR 12 2.698 -1.615 -4.230
103 HG1 THR 12 HG1 THR 12 3.631 -2.817 -5.694
104 1HG2 THR 12 1HG2 THR 12 4.106 0.280 -3.447
105 2HG2 THR 12 2HG2 THR 12 5.517 -0.539 -4.116
106 3HG2 THR 12 3HG2 THR 12 4.218 -0.006 -5.184
107 H ILE 13 H ILE 13 1.788 -1.772 -1.200
108 HA ILE 13 HA ILE 13 0.159 -4.105 -1.793
109 HB ILE 13 HB ILE 13 -0.420 -4.519 0.688
110 1HG1 ILE 13 1HG1 ILE 13 2.277 -4.189 1.783
111 2HG1 ILE 13 2HG1 ILE 13 1.690 -2.628 1.233
112 1HG2 ILE 13 1HG2 ILE 13 2.176 -5.520 -0.457
113 2HG2 ILE 13 2HG2 ILE 13 1.327 -6.248 0.908
114 3HG2 ILE 13 3HG2 ILE 13 0.564 -6.200 -0.682
115 1HD1 ILE 13 1HD1 ILE 13 0.235 -4.436 3.149
116 2HD1 ILE 13 2HD1 ILE 13 1.226 -3.050 3.607
117 3HD1 ILE 13 3HD1 ILE 13 -0.248 -2.809 2.668
118 H THR 14 H THR 14 -2.022 -3.818 -1.679
119 HA THR 14 HA THR 14 -3.054 -1.103 -1.374
120 HB THR 14 HB THR 14 -5.276 -2.150 -2.116
121 HG1 THR 14 HG1 THR 14 -3.547 -4.340 -2.718
122 1HG2 THR 14 1HG2 THR 14 -2.906 -1.707 -3.793
123 2HG2 THR 14 2HG2 THR 14 -4.210 -2.641 -4.528
124 3HG2 THR 14 3HG2 THR 14 -4.536 -1.032 -3.884
125 H LEU 15 H LEU 15 -4.604 -0.369 0.021
126 HA LEU 15 HA LEU 15 -5.390 -2.050 2.305
127 1HB LEU 15 1HB LEU 15 -3.943 0.339 2.371
128 2HB LEU 15 2HB LEU 15 -5.572 0.853 2.749
129 HG LEU 15 HG LEU 15 -4.966 -1.483 4.351
130 1HD1 LEU 15 1HD1 LEU 15 -2.593 -0.721 3.945
131 2HD1 LEU 15 2HD1 LEU 15 -2.997 0.724 4.870
132 3HD1 LEU 15 3HD1 LEU 15 -3.095 -0.865 5.629
133 1HD2 LEU 15 1HD2 LEU 15 -5.418 1.405 5.094
134 2HD2 LEU 15 2HD2 LEU 15 -6.629 0.126 5.009
135 3HD2 LEU 15 3HD2 LEU 15 -5.369 0.065 6.241
136 H GLU 16 H GLU 16 -7.337 -2.797 1.978
137 HA GLU 16 HA GLU 16 -9.516 -1.110 0.913
138 1HB GLU 16 1HB GLU 16 -8.576 -3.813 0.082
139 2HB GLU 16 2HB GLU 16 -10.314 -3.550 0.090
140 1HG GLU 16 1HG GLU 16 -9.672 -1.398 -1.285
141 2HG GLU 16 2HG GLU 16 -8.205 -2.313 -1.624
142 H VAL 17 H VAL 17 -11.569 -1.293 1.750
143 HA VAL 17 HA VAL 17 -11.865 -2.532 4.371
144 HB VAL 17 HB VAL 17 -12.330 -0.074 4.022
145 1HG1 VAL 17 1HG1 VAL 17 -13.554 -0.004 1.924
146 2HG1 VAL 17 2HG1 VAL 17 -14.927 -0.815 2.681
147 3HG1 VAL 17 3HG1 VAL 17 -14.449 0.795 3.216
148 1HG2 VAL 17 1HG2 VAL 17 -13.115 -1.166 6.029
149 2HG2 VAL 17 2HG2 VAL 17 -14.231 0.107 5.531
150 3HG2 VAL 17 3HG2 VAL 17 -14.633 -1.585 5.236
No H/Q in entry = 150
Start of MODEL 19
1 H1 MET 1 H1 MET 1 -13.817 0.546 -0.659
2 H2 MET 1 H2 MET 1 -13.963 0.889 0.991
3 H3 MET 1 H3 MET 1 -14.898 1.738 -0.136
4 HA MET 1 HA MET 1 -13.144 2.950 -0.940
5 1HB MET 1 1HB MET 1 -11.922 3.903 1.104
6 2HB MET 1 2HB MET 1 -13.668 3.980 1.130
7 1HG MET 1 1HG MET 1 -13.618 1.988 2.711
8 2HG MET 1 2HG MET 1 -11.867 2.177 2.770
9 1HE MET 1 1HE MET 1 -10.643 4.103 3.545
10 2HE MET 1 2HE MET 1 -11.167 5.154 4.861
11 3HE MET 1 3HE MET 1 -11.003 3.418 5.130
12 H GLN 2 H GLN 2 -11.156 3.181 -1.781
13 HA GLN 2 HA GLN 2 -9.068 1.188 -1.197
14 1HB GLN 2 1HB GLN 2 -10.435 1.267 -3.577
15 2HB GLN 2 2HB GLN 2 -9.059 2.291 -3.946
16 1HG GLN 2 1HG GLN 2 -7.535 0.486 -3.348
17 2HG GLN 2 2HG GLN 2 -8.904 -0.543 -2.932
18 2HE2 GLN 2 2HE2 GLN 2 -7.053 0.884 -5.561
19 1HE2 GLN 2 1HE2 GLN 2 -7.770 -0.058 -6.818
20 H ILE 3 H ILE 3 -7.143 1.909 -0.652
21 HA ILE 3 HA ILE 3 -6.059 4.483 -1.420
22 HB ILE 3 HB ILE 3 -5.318 5.030 1.016
23 1HG1 ILE 3 1HG1 ILE 3 -7.838 4.259 2.302
24 2HG1 ILE 3 2HG1 ILE 3 -7.026 2.818 1.715
25 1HG2 ILE 3 1HG2 ILE 3 -6.796 6.379 -0.430
26 2HG2 ILE 3 2HG2 ILE 3 -8.192 5.566 0.276
27 3HG2 ILE 3 3HG2 ILE 3 -7.146 6.562 1.289
28 1HD1 ILE 3 1HD1 ILE 3 -5.386 4.742 3.252
29 2HD1 ILE 3 2HD1 ILE 3 -6.615 3.829 4.130
30 3HD1 ILE 3 3HD1 ILE 3 -5.357 2.978 3.233
31 H PHE 4 H PHE 4 -4.068 4.344 -1.988
32 HA PHE 4 HA PHE 4 -2.497 1.915 -1.619
33 1HB PHE 4 1HB PHE 4 -2.544 4.205 -3.507
34 2HB PHE 4 2HB PHE 4 -0.960 3.530 -3.202
35 HD1 PHE 4 HD1 PHE 4 -4.488 2.686 -4.624
36 HD2 PHE 4 HD2 PHE 4 -0.156 1.477 -4.305
37 HE1 PHE 4 HE1 PHE 4 -4.829 0.959 -6.515
38 HE2 PHE 4 HE2 PHE 4 -0.507 -0.243 -6.211
39 HZ PHE 4 HZ PHE 4 -2.838 -0.501 -7.322
40 H VAL 5 H VAL 5 -0.461 1.705 -0.740
41 HA VAL 5 HA VAL 5 0.902 3.941 0.562
42 HB VAL 5 HB VAL 5 1.406 2.488 2.654
43 1HG1 VAL 5 1HG1 VAL 5 0.030 4.575 2.529
44 2HG1 VAL 5 2HG1 VAL 5 -1.399 3.541 2.510
45 3HG1 VAL 5 3HG1 VAL 5 -0.306 3.510 3.894
46 1HG2 VAL 5 1HG2 VAL 5 0.349 0.337 2.017
47 2HG2 VAL 5 2HG2 VAL 5 -0.346 0.989 3.501
48 3HG2 VAL 5 3HG2 VAL 5 -1.228 1.124 1.977
49 H LYS 6 H LYS 6 3.053 3.951 0.458
50 HA LYS 6 HA LYS 6 4.534 1.573 -0.476
51 1HB LYS 6 1HB LYS 6 4.003 3.746 -2.057
52 2HB LYS 6 2HB LYS 6 5.559 4.201 -1.385
53 1HG LYS 6 1HG LYS 6 6.649 2.358 -2.356
54 2HG LYS 6 2HG LYS 6 5.132 1.526 -2.694
55 1HD LYS 6 1HD LYS 6 4.679 2.791 -4.560
56 2HD LYS 6 2HD LYS 6 5.586 4.189 -3.982
57 1HE LYS 6 1HE LYS 6 7.656 3.210 -4.567
58 2HE LYS 6 2HE LYS 6 6.926 1.620 -4.796
59 1HZ LYS 6 1HZ LYS 6 5.715 2.510 -6.705
60 2HZ LYS 6 2HZ LYS 6 6.461 4.013 -6.494
61 3HZ LYS 6 3HZ LYS 6 7.387 2.660 -6.913
62 H THR 7 H THR 7 6.615 1.233 0.226
63 HA THR 7 HA THR 7 7.724 2.885 2.427
64 HB THR 7 HB THR 7 8.852 0.684 3.188
65 HG1 THR 7 HG1 THR 7 7.825 -1.209 2.610
66 1HG2 THR 7 1HG2 THR 7 5.977 1.386 3.613
67 2HG2 THR 7 2HG2 THR 7 6.628 -0.090 4.327
68 3HG2 THR 7 3HG2 THR 7 7.334 1.474 4.736
69 H LEU 8 H LEU 8 9.955 3.213 2.564
70 HA LEU 8 HA LEU 8 11.483 3.454 0.165
71 1HB LEU 8 1HB LEU 8 11.947 4.010 3.058
72 2HB LEU 8 2HB LEU 8 13.350 3.951 2.013
73 HG LEU 8 HG LEU 8 11.365 5.611 0.725
74 1HD1 LEU 8 1HD1 LEU 8 10.436 5.895 3.007
75 2HD1 LEU 8 2HD1 LEU 8 11.984 6.576 3.507
76 3HD1 LEU 8 3HD1 LEU 8 11.020 7.390 2.274
77 1HD2 LEU 8 1HD2 LEU 8 13.803 5.756 0.401
78 2HD2 LEU 8 2HD2 LEU 8 13.073 7.313 0.790
79 3HD2 LEU 8 3HD2 LEU 8 13.963 6.423 2.026
80 H ASP 9 H ASP 9 11.256 0.767 2.374
81 HA ASP 9 HA ASP 9 13.808 -0.511 2.000
82 1HB ASP 9 1HB ASP 9 11.862 -0.822 3.852
83 2HB ASP 9 2HB ASP 9 11.501 -2.197 2.817
84 H GLY 10 H GLY 10 10.608 -0.908 0.416
85 1HA GLY 10 2HA GLY 10 11.744 -2.775 -1.601
86 2HA GLY 10 1HA GLY 10 10.696 -1.437 -2.033
87 H LYS 11 H LYS 11 8.586 -1.503 -0.403
88 HA LYS 11 HA LYS 11 7.193 -4.037 -0.983
89 1HB LYS 11 1HB LYS 11 7.420 -2.719 1.714
90 2HB LYS 11 2HB LYS 11 5.963 -3.606 1.310
91 1HG LYS 11 1HG LYS 11 6.921 -5.577 1.718
92 2HG LYS 11 2HG LYS 11 8.313 -5.203 0.716
93 1HD LYS 11 1HD LYS 11 9.572 -5.105 2.563
94 2HD LYS 11 2HD LYS 11 8.681 -3.678 3.073
95 1HE LYS 11 1HE LYS 11 6.976 -5.433 4.007
96 2HE LYS 11 2HE LYS 11 8.350 -6.533 3.912
97 1HZ LYS 11 1HZ LYS 11 8.375 -3.939 5.355
98 2HZ LYS 11 2HZ LYS 11 8.108 -5.439 6.093
99 3HZ LYS 11 3HZ LYS 11 9.596 -5.110 5.358
100 H THR 12 H THR 12 5.025 -3.906 -1.499
101 HA THR 12 HA THR 12 3.579 -1.347 -1.445
102 HB THR 12 HB THR 12 2.630 -1.933 -3.793
103 HG1 THR 12 HG1 THR 12 3.525 -3.866 -4.289
104 1HG2 THR 12 1HG2 THR 12 5.341 -0.740 -3.303
105 2HG2 THR 12 2HG2 THR 12 4.667 -0.828 -4.930
106 3HG2 THR 12 3HG2 THR 12 3.818 0.072 -3.672
107 H ILE 13 H ILE 13 1.551 -1.498 -0.745
108 HA ILE 13 HA ILE 13 -0.094 -3.894 -0.988
109 HB ILE 13 HB ILE 13 -0.785 -3.843 1.491
110 1HG1 ILE 13 1HG1 ILE 13 1.876 -3.218 2.591
111 2HG1 ILE 13 2HG1 ILE 13 1.211 -1.808 1.782
112 1HG2 ILE 13 1HG2 ILE 13 1.874 -4.992 0.667
113 2HG2 ILE 13 2HG2 ILE 13 0.998 -5.452 2.127
114 3HG2 ILE 13 3HG2 ILE 13 0.280 -5.742 0.540
115 1HD1 ILE 13 1HD1 ILE 13 -0.240 -3.358 3.914
116 2HD1 ILE 13 2HD1 ILE 13 0.738 -1.920 4.217
117 3HD1 ILE 13 3HD1 ILE 13 -0.708 -1.807 3.212
118 H THR 14 H THR 14 -2.257 -3.608 -1.057
119 HA THR 14 HA THR 14 -3.332 -0.858 -1.073
120 HB THR 14 HB THR 14 -5.367 -1.936 -2.219
121 HG1 THR 14 HG1 THR 14 -5.247 -4.059 -2.239
122 1HG2 THR 14 1HG2 THR 14 -3.459 -0.642 -3.335
123 2HG2 THR 14 2HG2 THR 14 -2.921 -2.219 -3.913
124 3HG2 THR 14 3HG2 THR 14 -4.525 -1.621 -4.341
125 H LEU 15 H LEU 15 -5.156 -0.204 0.032
126 HA LEU 15 HA LEU 15 -6.105 -1.921 2.226
127 1HB LEU 15 1HB LEU 15 -5.007 0.537 2.468
128 2HB LEU 15 2HB LEU 15 -6.679 1.012 2.258
129 HG LEU 15 HG LEU 15 -6.560 -1.103 4.245
130 1HD1 LEU 15 1HD1 LEU 15 -4.205 -0.236 4.508
131 2HD1 LEU 15 2HD1 LEU 15 -4.920 1.274 5.068
132 3HD1 LEU 15 3HD1 LEU 15 -5.211 -0.222 5.956
133 1HD2 LEU 15 1HD2 LEU 15 -8.369 0.541 4.065
134 2HD2 LEU 15 2HD2 LEU 15 -7.663 0.522 5.681
135 3HD2 LEU 15 3HD2 LEU 15 -7.258 1.819 4.556
136 H GLU 16 H GLU 16 -7.713 -3.087 1.497
137 HA GLU 16 HA GLU 16 -10.012 -1.876 0.091
138 1HB GLU 16 1HB GLU 16 -8.412 -4.318 -0.504
139 2HB GLU 16 2HB GLU 16 -10.144 -4.422 -0.779
140 1HG GLU 16 1HG GLU 16 -9.881 -2.296 -2.173
141 2HG GLU 16 2HG GLU 16 -8.147 -2.595 -2.096
142 H VAL 17 H VAL 17 -12.095 -2.518 0.592
143 HA VAL 17 HA VAL 17 -12.537 -3.764 3.185
144 HB VAL 17 HB VAL 17 -13.498 -1.498 2.615
145 1HG1 VAL 17 1HG1 VAL 17 -14.336 -1.838 0.331
146 2HG1 VAL 17 2HG1 VAL 17 -15.633 -2.850 0.970
147 3HG1 VAL 17 3HG1 VAL 17 -15.546 -1.145 1.409
148 1HG2 VAL 17 1HG2 VAL 17 -14.369 -3.048 4.451
149 2HG2 VAL 17 2HG2 VAL 17 -15.344 -1.649 4.001
150 3HG2 VAL 17 3HG2 VAL 17 -15.782 -3.255 3.419
No H/Q in entry = 150
Start of MODEL 20
1 H1 MET 1 H1 MET 1 -13.980 0.129 -1.823
2 H2 MET 1 H2 MET 1 -13.791 -0.064 -0.154
3 H3 MET 1 H3 MET 1 -14.932 1.031 -0.754
4 HA MET 1 HA MET 1 -13.189 2.388 -1.702
5 1HB MET 1 1HB MET 1 -13.987 2.206 0.923
6 2HB MET 1 2HB MET 1 -12.239 2.120 1.091
7 1HG MET 1 1HG MET 1 -11.926 4.274 0.344
8 2HG MET 1 2HG MET 1 -13.434 4.294 -0.571
9 1HE MET 1 1HE MET 1 -15.808 4.347 0.566
10 2HE MET 1 2HE MET 1 -16.032 5.622 1.766
11 3HE MET 1 3HE MET 1 -15.235 5.983 0.234
12 H GLN 2 H GLN 2 -11.081 2.820 -2.226
13 HA GLN 2 HA GLN 2 -8.944 0.906 -1.595
14 1HB GLN 2 1HB GLN 2 -10.070 0.839 -4.063
15 2HB GLN 2 2HB GLN 2 -8.869 2.088 -4.337
16 1HG GLN 2 1HG GLN 2 -7.176 0.412 -3.379
17 2HG GLN 2 2HG GLN 2 -8.439 -0.794 -3.597
18 2HE2 GLN 2 2HE2 GLN 2 -8.869 -1.580 -5.658
19 1HE2 GLN 2 1HE2 GLN 2 -7.945 -1.123 -7.044
20 H ILE 3 H ILE 3 -7.151 1.755 -0.866
21 HA ILE 3 HA ILE 3 -6.187 4.420 -1.461
22 HB ILE 3 HB ILE 3 -5.705 4.898 1.065
23 1HG1 ILE 3 1HG1 ILE 3 -8.288 3.983 2.076
24 2HG1 ILE 3 2HG1 ILE 3 -7.400 2.592 1.479
25 1HG2 ILE 3 1HG2 ILE 3 -8.384 5.350 -0.223
26 2HG2 ILE 3 2HG2 ILE 3 -7.872 6.160 1.257
27 3HG2 ILE 3 3HG2 ILE 3 -6.967 6.402 -0.237
28 1HD1 ILE 3 1HD1 ILE 3 -6.204 4.546 3.415
29 2HD1 ILE 3 2HD1 ILE 3 -7.159 3.152 3.922
30 3HD1 ILE 3 3HD1 ILE 3 -5.660 2.914 3.022
31 H PHE 4 H PHE 4 -4.160 4.346 -1.930
32 HA PHE 4 HA PHE 4 -2.536 1.982 -1.447
33 1HB PHE 4 1HB PHE 4 -2.553 4.237 -3.359
34 2HB PHE 4 2HB PHE 4 -0.955 3.669 -2.933
35 HD1 PHE 4 HD1 PHE 4 -4.305 2.628 -4.603
36 HD2 PHE 4 HD2 PHE 4 0.030 1.603 -3.900
37 HE1 PHE 4 HE1 PHE 4 -4.428 0.830 -6.456
38 HE2 PHE 4 HE2 PHE 4 -0.101 -0.187 -5.769
39 HZ PHE 4 HZ PHE 4 -2.323 -0.572 -7.051
40 H VAL 5 H VAL 5 -0.657 1.764 -0.365
41 HA VAL 5 HA VAL 5 0.624 3.991 1.027
42 HB VAL 5 HB VAL 5 -1.066 2.980 2.612
43 1HG1 VAL 5 1HG1 VAL 5 -1.029 0.617 2.152
44 2HG1 VAL 5 2HG1 VAL 5 0.633 0.494 2.728
45 3HG1 VAL 5 3HG1 VAL 5 -0.664 0.907 3.852
46 1HG2 VAL 5 1HG2 VAL 5 0.791 4.252 3.507
47 2HG2 VAL 5 2HG2 VAL 5 0.307 2.969 4.615
48 3HG2 VAL 5 3HG2 VAL 5 1.760 2.785 3.631
49 H LYS 6 H LYS 6 2.753 4.035 0.682
50 HA LYS 6 HA LYS 6 4.216 1.640 -0.245
51 1HB LYS 6 1HB LYS 6 3.773 3.923 -1.677
52 2HB LYS 6 2HB LYS 6 5.323 4.300 -0.945
53 1HG LYS 6 1HG LYS 6 6.394 2.493 -2.015
54 2HG LYS 6 2HG LYS 6 4.864 1.736 -2.452
55 1HD LYS 6 1HD LYS 6 4.503 3.145 -4.232
56 2HD LYS 6 2HD LYS 6 5.426 4.472 -3.526
57 1HE LYS 6 1HE LYS 6 7.487 3.485 -4.127
58 2HE LYS 6 2HE LYS 6 6.728 1.935 -4.489
59 1HZ LYS 6 1HZ LYS 6 5.575 3.015 -6.351
60 2HZ LYS 6 2HZ LYS 6 6.401 4.455 -6.026
61 3HZ LYS 6 3HZ LYS 6 7.258 3.082 -6.518
62 H THR 7 H THR 7 6.259 1.169 0.457
63 HA THR 7 HA THR 7 7.358 2.564 2.833
64 HB THR 7 HB THR 7 8.493 0.260 3.286
65 HG1 THR 7 HG1 THR 7 7.971 -1.225 1.903
66 1HG2 THR 7 1HG2 THR 7 5.647 0.977 3.850
67 2HG2 THR 7 2HG2 THR 7 6.248 -0.609 4.333
68 3HG2 THR 7 3HG2 THR 7 7.018 0.852 4.952
69 H LEU 8 H LEU 8 9.564 2.916 3.039
70 HA LEU 8 HA LEU 8 11.128 3.464 0.718
71 1HB LEU 8 1HB LEU 8 11.192 4.075 3.508
72 2HB LEU 8 2HB LEU 8 12.776 3.474 3.067
73 HG LEU 8 HG LEU 8 12.105 5.349 1.036
74 1HD1 LEU 8 1HD1 LEU 8 11.413 6.449 3.758
75 2HD1 LEU 8 2HD1 LEU 8 11.736 7.435 2.331
76 3HD1 LEU 8 3HD1 LEU 8 10.359 6.332 2.348
77 1HD2 LEU 8 1HD2 LEU 8 13.952 5.616 3.404
78 2HD2 LEU 8 2HD2 LEU 8 14.355 5.006 1.799
79 3HD2 LEU 8 3HD2 LEU 8 13.933 6.705 2.017
80 H ASP 9 H ASP 9 10.873 0.510 2.506
81 HA ASP 9 HA ASP 9 13.457 -0.689 2.143
82 1HB ASP 9 1HB ASP 9 11.311 -1.302 3.700
83 2HB ASP 9 2HB ASP 9 11.146 -2.518 2.439
84 H GLY 10 H GLY 10 10.459 -0.762 0.192
85 1HA GLY 10 2HA GLY 10 11.836 -2.170 -2.032
86 2HA GLY 10 1HA GLY 10 10.629 -0.917 -2.247
87 H LYS 11 H LYS 11 8.541 -1.646 -0.654
88 HA LYS 11 HA LYS 11 7.415 -3.975 -1.997
89 1HB LYS 11 1HB LYS 11 6.347 -4.870 0.157
90 2HB LYS 11 2HB LYS 11 8.041 -5.215 -0.084
91 1HG LYS 11 1HG LYS 11 8.277 -3.055 1.520
92 2HG LYS 11 2HG LYS 11 6.681 -3.601 2.031
93 1HD LYS 11 1HD LYS 11 7.810 -5.919 2.280
94 2HD LYS 11 2HD LYS 11 9.325 -5.016 2.228
95 1HE LYS 11 1HE LYS 11 8.793 -3.820 4.195
96 2HE LYS 11 2HE LYS 11 7.108 -4.337 4.144
97 1HZ LYS 11 1HZ LYS 11 9.437 -6.115 4.633
98 2HZ LYS 11 2HZ LYS 11 8.376 -5.542 5.819
99 3HZ LYS 11 3HZ LYS 11 7.814 -6.592 4.616
100 H THR 12 H THR 12 5.341 -3.793 -2.609
101 HA THR 12 HA THR 12 3.740 -1.462 -1.714
102 HB THR 12 HB THR 12 2.574 -1.682 -4.022
103 HG1 THR 12 HG1 THR 12 3.559 -3.592 -4.740
104 1HG2 THR 12 1HG2 THR 12 3.932 0.254 -3.423
105 2HG2 THR 12 2HG2 THR 12 5.395 -0.610 -3.894
106 3HG2 THR 12 3HG2 THR 12 4.191 -0.189 -5.111
107 H ILE 13 H ILE 13 1.703 -1.707 -1.030
108 HA ILE 13 HA ILE 13 0.067 -4.063 -1.493
109 HB ILE 13 HB ILE 13 -0.526 -4.333 1.003
110 1HG1 ILE 13 1HG1 ILE 13 2.165 -3.940 2.092
111 2HG1 ILE 13 2HG1 ILE 13 1.581 -2.413 1.450
112 1HG2 ILE 13 1HG2 ILE 13 2.059 -5.402 -0.100
113 2HG2 ILE 13 2HG2 ILE 13 1.255 -6.032 1.338
114 3HG2 ILE 13 3HG2 ILE 13 0.446 -6.105 -0.229
115 1HD1 ILE 13 1HD1 ILE 13 0.041 -4.096 3.411
116 2HD1 ILE 13 2HD1 ILE 13 1.124 -2.780 3.870
117 3HD1 ILE 13 3HD1 ILE 13 -0.313 -2.442 2.903
118 H THR 14 H THR 14 -2.097 -3.747 -1.462
119 HA THR 14 HA THR 14 -3.118 -1.009 -1.245
120 HB THR 14 HB THR 14 -5.302 -2.022 -2.123
121 HG1 THR 14 HG1 THR 14 -5.358 -4.126 -2.267
122 1HG2 THR 14 1HG2 THR 14 -3.444 -0.893 -3.514
123 2HG2 THR 14 2HG2 THR 14 -3.145 -2.524 -4.117
124 3HG2 THR 14 3HG2 THR 14 -4.734 -1.781 -4.324
125 H LEU 15 H LEU 15 -4.754 -0.272 0.071
126 HA LEU 15 HA LEU 15 -5.618 -1.966 2.321
127 1HB LEU 15 1HB LEU 15 -4.223 0.425 2.480
128 2HB LEU 15 2HB LEU 15 -5.877 0.953 2.703
129 HG LEU 15 HG LEU 15 -5.408 -1.357 4.399
130 1HD1 LEU 15 1HD1 LEU 15 -3.022 -0.625 4.228
131 2HD1 LEU 15 2HD1 LEU 15 -3.499 0.890 4.993
132 3HD1 LEU 15 3HD1 LEU 15 -3.688 -0.635 5.860
133 1HD2 LEU 15 1HD2 LEU 15 -5.930 1.537 5.078
134 2HD2 LEU 15 2HD2 LEU 15 -7.142 0.278 4.839
135 3HD2 LEU 15 3HD2 LEU 15 -6.033 0.186 6.208
136 H GLU 16 H GLU 16 -7.478 -2.814 1.803
137 HA GLU 16 HA GLU 16 -9.677 -1.203 0.668
138 1HB GLU 16 1HB GLU 16 -8.571 -3.848 -0.145
139 2HB GLU 16 2HB GLU 16 -10.316 -3.658 -0.236
140 1HG GLU 16 1HG GLU 16 -9.688 -1.458 -1.542
141 2HG GLU 16 2HG GLU 16 -8.166 -2.305 -1.809
142 H VAL 17 H VAL 17 -11.763 -1.494 1.388
143 HA VAL 17 HA VAL 17 -12.144 -2.812 3.962
144 HB VAL 17 HB VAL 17 -12.676 -0.361 3.656
145 1HG1 VAL 17 1HG1 VAL 17 -15.101 -1.199 2.076
146 2HG1 VAL 17 2HG1 VAL 17 -14.885 0.387 2.818
147 3HG1 VAL 17 3HG1 VAL 17 -13.780 -0.154 1.553
148 1HG2 VAL 17 1HG2 VAL 17 -13.627 -1.850 5.496
149 2HG2 VAL 17 2HG2 VAL 17 -14.350 -0.261 5.252
150 3HG2 VAL 17 3HG2 VAL 17 -15.162 -1.703 4.641
No H/Q in entry = 150
Start of MODEL 21
1 H1 MET 1 H1 MET 1 -13.946 0.177 -2.506
2 H2 MET 1 H2 MET 1 -13.929 -0.121 -0.840
3 H3 MET 1 H3 MET 1 -15.023 0.994 -1.488
4 HA MET 1 HA MET 1 -13.259 2.464 -2.119
5 1HB MET 1 1HB MET 1 -14.207 1.990 0.418
6 2HB MET 1 2HB MET 1 -12.470 1.915 0.683
7 1HG MET 1 1HG MET 1 -12.163 4.142 0.184
8 2HG MET 1 2HG MET 1 -13.621 4.235 -0.806
9 1HE MET 1 1HE MET 1 -16.050 4.129 0.196
10 2HE MET 1 2HE MET 1 -16.364 5.264 1.510
11 3HE MET 1 3HE MET 1 -15.493 5.800 0.073
12 H GLN 2 H GLN 2 -11.134 2.985 -2.470
13 HA GLN 2 HA GLN 2 -8.996 1.042 -1.925
14 1HB GLN 2 1HB GLN 2 -9.825 2.103 -4.586
15 2HB GLN 2 2HB GLN 2 -8.096 2.055 -4.275
16 1HG GLN 2 1HG GLN 2 -8.075 -0.273 -4.055
17 2HG GLN 2 2HG GLN 2 -9.825 -0.359 -3.861
18 2HE2 GLN 2 2HE2 GLN 2 -7.179 -0.092 -6.155
19 1HE2 GLN 2 1HE2 GLN 2 -8.136 -0.358 -7.569
20 H ILE 3 H ILE 3 -7.246 1.817 -1.020
21 HA ILE 3 HA ILE 3 -6.284 4.532 -1.276
22 HB ILE 3 HB ILE 3 -5.965 4.769 1.313
23 1HG1 ILE 3 2HG1 ILE 3 -8.608 3.774 2.054
24 2HG1 ILE 3 1HG1 ILE 3 -7.674 2.442 1.395
25 1HG2 ILE 3 1HG2 ILE 3 -7.194 6.319 -0.078
26 2HG2 ILE 3 2HG2 ILE 3 -8.644 5.324 0.049
27 3HG2 ILE 3 3HG2 ILE 3 -7.994 6.123 1.481
28 1HD1 ILE 3 1HD1 ILE 3 -6.548 4.195 3.540
29 2HD1 ILE 3 2HD1 ILE 3 -7.629 2.852 3.913
30 3HD1 ILE 3 3HD1 ILE 3 -6.096 2.550 3.093
31 H PHE 4 H PHE 4 -4.249 4.500 -1.644
32 HA PHE 4 HA PHE 4 -2.625 2.117 -1.266
33 1HB PHE 4 1HB PHE 4 -2.596 4.494 -3.022
34 2HB PHE 4 2HB PHE 4 -1.006 3.930 -2.560
35 HD1 PHE 4 HD1 PHE 4 -4.257 2.914 -4.434
36 HD2 PHE 4 HD2 PHE 4 0.073 1.960 -3.615
37 HE1 PHE 4 HE1 PHE 4 -4.258 1.224 -6.390
38 HE2 PHE 4 HE2 PHE 4 0.066 0.283 -5.590
39 HZ PHE 4 HZ PHE 4 -2.093 -0.083 -6.983
40 H VAL 5 H VAL 5 -0.714 1.875 -0.223
41 HA VAL 5 HA VAL 5 0.573 3.987 1.303
42 HB VAL 5 HB VAL 5 0.796 2.475 3.405
43 1HG1 VAL 5 1HG1 VAL 5 -0.342 4.597 3.413
44 2HG1 VAL 5 2HG1 VAL 5 -1.830 3.831 2.855
45 3HG1 VAL 5 3HG1 VAL 5 -1.183 3.442 4.448
46 1HG2 VAL 5 1HG2 VAL 5 -0.395 0.427 2.455
47 2HG2 VAL 5 2HG2 VAL 5 -0.937 0.957 4.048
48 3HG2 VAL 5 3HG2 VAL 5 -1.901 1.329 2.620
49 H LYS 6 H LYS 6 2.711 3.902 1.201
50 HA LYS 6 HA LYS 6 4.088 1.428 0.326
51 1HB LYS 6 1HB LYS 6 4.263 4.231 -0.706
52 2HB LYS 6 2HB LYS 6 5.734 3.271 -0.698
53 1HG LYS 6 1HG LYS 6 4.411 1.506 -1.968
54 2HG LYS 6 2HG LYS 6 3.175 2.745 -2.186
55 1HD LYS 6 1HD LYS 6 5.040 4.201 -3.145
56 2HD LYS 6 2HD LYS 6 6.008 2.727 -3.200
57 1HE LYS 6 1HE LYS 6 4.410 1.677 -4.667
58 2HE LYS 6 2HE LYS 6 3.317 3.054 -4.520
59 1HZ LYS 6 1HZ LYS 6 6.024 3.119 -5.741
60 2HZ LYS 6 2HZ LYS 6 4.559 3.126 -6.589
61 3HZ LYS 6 3HZ LYS 6 4.974 4.437 -5.605
62 H THR 7 H THR 7 6.069 0.891 1.134
63 HA THR 7 HA THR 7 6.937 2.043 3.688
64 HB THR 7 HB THR 7 8.582 0.017 3.590
65 HG1 THR 7 HG1 THR 7 8.428 -1.072 1.800
66 1HG2 THR 7 1HG2 THR 7 6.561 0.251 5.077
67 2HG2 THR 7 2HG2 THR 7 5.660 -0.663 3.867
68 3HG2 THR 7 3HG2 THR 7 7.026 -1.406 4.696
69 H LEU 8 H LEU 8 8.068 1.792 0.346
70 HA LEU 8 HA LEU 8 9.630 2.770 -0.955
71 1HB LEU 8 1HB LEU 8 10.106 4.471 1.481
72 2HB LEU 8 2HB LEU 8 11.305 4.509 0.206
73 HG LEU 8 HG LEU 8 8.797 4.843 -1.103
74 1HD1 LEU 8 1HD1 LEU 8 7.891 5.417 1.161
75 2HD1 LEU 8 2HD1 LEU 8 8.976 6.807 1.169
76 3HD1 LEU 8 3HD1 LEU 8 7.717 6.678 -0.059
77 1HD2 LEU 8 1HD2 LEU 8 10.894 5.848 -1.832
78 2HD2 LEU 8 2HD2 LEU 8 9.630 7.067 -1.669
79 3HD2 LEU 8 3HD2 LEU 8 10.879 6.921 -0.432
80 H ASP 9 H ASP 9 10.418 0.722 1.586
81 HA ASP 9 HA ASP 9 13.266 0.381 1.335
82 1HB ASP 9 1HB ASP 9 11.310 -0.466 3.151
83 2HB ASP 9 2HB ASP 9 11.914 -1.950 2.427
84 H GLY 10 H GLY 10 10.433 -1.250 -0.141
85 1HA GLY 10 2HA GLY 10 11.817 -3.437 -1.401
86 2HA GLY 10 1HA GLY 10 11.568 -2.106 -2.514
87 H LYS 11 H LYS 11 9.520 -3.578 0.054
88 HA LYS 11 HA LYS 11 7.610 -4.764 -1.737
89 1HB LYS 11 1HB LYS 11 6.323 -5.382 0.371
90 2HB LYS 11 2HB LYS 11 7.930 -6.036 0.223
91 1HG LYS 11 1HG LYS 11 8.188 -5.448 2.380
92 2HG LYS 11 2HG LYS 11 8.400 -3.805 1.781
93 1HD LYS 11 1HD LYS 11 6.201 -3.195 2.325
94 2HD LYS 11 2HD LYS 11 5.661 -4.871 2.429
95 1HE LYS 11 1HE LYS 11 6.981 -5.178 4.458
96 2HE LYS 11 2HE LYS 11 7.564 -3.518 4.343
97 1HZ LYS 11 1HZ LYS 11 5.204 -2.804 4.519
98 2HZ LYS 11 2HZ LYS 11 4.778 -4.408 4.841
99 3HZ LYS 11 3HZ LYS 11 5.793 -3.572 5.905
100 H THR 12 H THR 12 5.423 -4.386 -2.095
101 HA THR 12 HA THR 12 4.178 -1.840 -1.274
102 HB THR 12 HB THR 12 3.186 -1.678 -3.666
103 HG1 THR 12 HG1 THR 12 4.403 -2.568 -5.313
104 1HG2 THR 12 1HG2 THR 12 4.812 -0.063 -2.673
105 2HG2 THR 12 2HG2 THR 12 6.117 -1.005 -3.395
106 3HG2 THR 12 3HG2 THR 12 4.926 -0.209 -4.426
107 H ILE 13 H ILE 13 2.070 -1.980 -0.718
108 HA ILE 13 HA ILE 13 0.283 -4.115 -1.581
109 HB ILE 13 HB ILE 13 -0.506 -4.619 0.823
110 1HG1 ILE 13 1HG1 ILE 13 2.127 -4.570 2.111
111 2HG1 ILE 13 2HG1 ILE 13 1.695 -2.937 1.629
112 1HG2 ILE 13 1HG2 ILE 13 2.059 -5.759 -0.254
113 2HG2 ILE 13 2HG2 ILE 13 1.131 -6.480 1.062
114 3HG2 ILE 13 3HG2 ILE 13 0.409 -6.317 -0.539
115 1HD1 ILE 13 1HD1 ILE 13 -0.064 -4.726 3.290
116 2HD1 ILE 13 2HD1 ILE 13 1.048 -3.525 3.949
117 3HD1 ILE 13 3HD1 ILE 13 -0.309 -3.013 2.944
118 H THR 14 H THR 14 -1.877 -3.703 -1.553
119 HA THR 14 HA THR 14 -2.775 -0.945 -1.161
120 HB THR 14 HB THR 14 -5.004 -1.852 -2.095
121 HG1 THR 14 HG1 THR 14 -4.617 -4.076 -1.848
122 1HG2 THR 14 1HG2 THR 14 -2.508 -1.450 -3.621
123 2HG2 THR 14 2HG2 THR 14 -3.878 -2.163 -4.473
124 3HG2 THR 14 3HG2 THR 14 -4.055 -0.598 -3.684
125 H LEU 15 H LEU 15 -4.403 -0.222 0.177
126 HA LEU 15 HA LEU 15 -5.356 -2.006 2.317
127 1HB LEU 15 1HB LEU 15 -3.909 0.326 2.633
128 2HB LEU 15 2HB LEU 15 -5.551 0.905 2.818
129 HG LEU 15 HG LEU 15 -5.235 -1.488 4.428
130 1HD1 LEU 15 1HD1 LEU 15 -3.154 0.622 4.957
131 2HD1 LEU 15 2HD1 LEU 15 -3.599 -0.667 6.074
132 3HD1 LEU 15 3HD1 LEU 15 -2.873 -1.063 4.517
133 1HD2 LEU 15 1HD2 LEU 15 -6.911 0.233 4.852
134 2HD2 LEU 15 2HD2 LEU 15 -5.897 -0.032 6.271
135 3HD2 LEU 15 3HD2 LEU 15 -5.639 1.385 5.255
136 H GLU 16 H GLU 16 -7.255 -2.765 1.822
137 HA GLU 16 HA GLU 16 -9.389 -1.065 0.687
138 1HB GLU 16 1HB GLU 16 -8.363 -3.731 -0.161
139 2HB GLU 16 2HB GLU 16 -10.099 -3.484 -0.262
140 1HG GLU 16 1HG GLU 16 -9.406 -1.294 -1.532
141 2HG GLU 16 2HG GLU 16 -7.893 -2.158 -1.782
142 H VAL 17 H VAL 17 -11.493 -1.305 1.380
143 HA VAL 17 HA VAL 17 -12.077 -3.108 3.628
144 HB VAL 17 HB VAL 17 -11.628 -0.736 4.374
145 1HG1 VAL 17 1HG1 VAL 17 -12.656 0.637 2.663
146 2HG1 VAL 17 2HG1 VAL 17 -14.258 0.077 3.143
147 3HG1 VAL 17 3HG1 VAL 17 -13.292 1.040 4.259
148 1HG2 VAL 17 1HG2 VAL 17 -12.811 -2.228 5.846
149 2HG2 VAL 17 2HG2 VAL 17 -13.419 -0.582 6.029
150 3HG2 VAL 17 3HG2 VAL 17 -14.352 -1.773 5.122
No H/Q in entry = 150
Start of MODEL 22
1 H1 MET 1 H1 MET 1 -13.885 1.154 -3.182
2 H2 MET 1 H2 MET 1 -14.231 1.105 -1.526
3 H3 MET 1 H3 MET 1 -14.846 2.356 -2.483
4 HA MET 1 HA MET 1 -12.655 3.211 -2.888
5 1HB MET 1 1HB MET 1 -14.125 3.376 -0.562
6 2HB MET 1 2HB MET 1 -12.540 2.932 0.053
7 1HG MET 1 1HG MET 1 -11.556 4.899 -0.710
8 2HG MET 1 2HG MET 1 -12.860 5.221 -1.855
9 1HE MET 1 1HE MET 1 -15.310 5.865 -1.107
10 2HE MET 1 2HE MET 1 -15.394 7.221 0.020
11 3HE MET 1 3HE MET 1 -14.311 7.295 -1.371
12 H GLN 2 H GLN 2 -10.421 3.157 -2.744
13 HA GLN 2 HA GLN 2 -9.027 0.856 -1.579
14 1HB GLN 2 1HB GLN 2 -9.433 1.000 -4.323
15 2HB GLN 2 2HB GLN 2 -7.854 1.749 -4.145
16 1HG GLN 2 1HG GLN 2 -6.934 -0.209 -3.174
17 2HG GLN 2 2HG GLN 2 -8.520 -0.945 -2.994
18 2HE2 GLN 2 2HE2 GLN 2 -9.497 -1.955 -4.788
19 1HE2 GLN 2 1HE2 GLN 2 -8.626 -2.250 -6.250
20 H ILE 3 H ILE 3 -7.306 1.381 -0.409
21 HA ILE 3 HA ILE 3 -6.084 4.029 -0.671
22 HB ILE 3 HB ILE 3 -7.760 3.831 1.220
23 1HG1 ILE 3 1HG1 ILE 3 -5.618 4.816 2.850
24 2HG1 ILE 3 2HG1 ILE 3 -5.229 5.190 1.181
25 1HG2 ILE 3 1HG2 ILE 3 -5.838 1.936 2.480
26 2HG2 ILE 3 2HG2 ILE 3 -6.800 3.017 3.490
27 3HG2 ILE 3 3HG2 ILE 3 -7.599 1.888 2.392
28 1HD1 ILE 3 1HD1 ILE 3 -7.980 5.820 2.075
29 2HD1 ILE 3 2HD1 ILE 3 -6.666 6.802 2.727
30 3HD1 ILE 3 3HD1 ILE 3 -6.905 6.695 0.983
31 H PHE 4 H PHE 4 -4.059 3.993 -1.257
32 HA PHE 4 HA PHE 4 -2.368 1.616 -0.950
33 1HB PHE 4 1HB PHE 4 -2.651 3.756 -2.980
34 2HB PHE 4 2HB PHE 4 -0.998 3.268 -2.667
35 HD1 PHE 4 HD1 PHE 4 -4.405 2.115 -4.078
36 HD2 PHE 4 HD2 PHE 4 -0.059 1.056 -3.478
37 HE1 PHE 4 HE1 PHE 4 -4.635 0.185 -5.775
38 HE2 PHE 4 HE2 PHE 4 -0.303 -0.868 -5.191
39 HZ PHE 4 HZ PHE 4 -2.588 -1.307 -6.343
40 H VAL 5 H VAL 5 -0.419 1.535 0.016
41 HA VAL 5 HA VAL 5 0.841 3.907 1.179
42 HB VAL 5 HB VAL 5 -0.668 2.863 2.922
43 1HG1 VAL 5 1HG1 VAL 5 -0.281 0.438 2.420
44 2HG1 VAL 5 2HG1 VAL 5 1.252 0.575 3.280
45 3HG1 VAL 5 3HG1 VAL 5 -0.266 0.878 4.128
46 1HG2 VAL 5 1HG2 VAL 5 1.423 4.235 3.439
47 2HG2 VAL 5 2HG2 VAL 5 0.663 3.337 4.752
48 3HG2 VAL 5 3HG2 VAL 5 2.124 2.713 3.986
49 H LYS 6 H LYS 6 2.943 4.062 0.723
50 HA LYS 6 HA LYS 6 4.480 1.737 -0.258
51 1HB LYS 6 1HB LYS 6 3.857 4.013 -1.648
52 2HB LYS 6 2HB LYS 6 5.431 4.443 -1.000
53 1HG LYS 6 1HG LYS 6 6.509 2.694 -2.146
54 2HG LYS 6 2HG LYS 6 4.990 1.869 -2.493
55 1HD LYS 6 1HD LYS 6 4.458 3.262 -4.244
56 2HD LYS 6 2HD LYS 6 5.363 4.629 -3.589
57 1HE LYS 6 1HE LYS 6 7.450 3.633 -4.246
58 2HE LYS 6 2HE LYS 6 6.637 2.146 -4.735
59 1HZ LYS 6 1HZ LYS 6 6.144 4.790 -5.989
60 2HZ LYS 6 2HZ LYS 6 7.225 3.642 -6.602
61 3HZ LYS 6 3HZ LYS 6 5.574 3.289 -6.520
62 H THR 7 H THR 7 6.568 1.358 0.367
63 HA THR 7 HA THR 7 7.734 2.861 2.644
64 HB THR 7 HB THR 7 8.903 0.623 3.207
65 HG1 THR 7 HG1 THR 7 8.423 -0.898 1.832
66 1HG2 THR 7 1HG2 THR 7 6.010 1.196 3.752
67 2HG2 THR 7 2HG2 THR 7 6.780 -0.254 4.400
68 3HG2 THR 7 3HG2 THR 7 7.399 1.342 4.829
69 H LEU 8 H LEU 8 9.961 3.203 2.740
70 HA LEU 8 HA LEU 8 11.423 3.618 0.323
71 1HB LEU 8 1HB LEU 8 11.902 4.033 3.230
72 2HB LEU 8 2HB LEU 8 13.323 3.979 2.208
73 HG LEU 8 HG LEU 8 11.472 5.741 0.910
74 1HD1 LEU 8 1HD1 LEU 8 11.720 6.348 3.851
75 2HD1 LEU 8 2HD1 LEU 8 11.206 7.511 2.627
76 3HD1 LEU 8 3HD1 LEU 8 10.240 6.067 2.933
77 1HD2 LEU 8 1HD2 LEU 8 13.903 5.914 0.775
78 2HD2 LEU 8 2HD2 LEU 8 13.178 7.440 1.281
79 3HD2 LEU 8 3HD2 LEU 8 13.970 6.403 2.468
80 H ASP 9 H ASP 9 11.232 0.778 2.307
81 HA ASP 9 HA ASP 9 13.789 -0.459 1.846
82 1HB ASP 9 1HB ASP 9 11.767 -0.927 3.623
83 2HB ASP 9 2HB ASP 9 11.536 -2.258 2.497
84 H GLY 10 H GLY 10 10.599 -0.730 0.213
85 1HA GLY 10 2HA GLY 10 11.759 -2.419 -1.944
86 2HA GLY 10 1HA GLY 10 10.688 -1.066 -2.264
87 H LYS 11 H LYS 11 8.565 -1.272 -0.724
88 HA LYS 11 HA LYS 11 7.244 -3.818 -1.424
89 1HB LYS 11 1HB LYS 11 7.412 -2.571 1.298
90 2HB LYS 11 2HB LYS 11 5.919 -3.374 0.843
91 1HG LYS 11 1HG LYS 11 7.131 -5.450 0.476
92 2HG LYS 11 2HG LYS 11 8.650 -4.641 0.882
93 1HD LYS 11 1HD LYS 11 7.604 -4.057 3.110
94 2HD LYS 11 2HD LYS 11 6.289 -5.151 2.688
95 1HE LYS 11 1HE LYS 11 9.098 -6.162 2.553
96 2HE LYS 11 2HE LYS 11 8.344 -5.941 4.129
97 1HZ LYS 11 1HZ LYS 11 6.530 -7.383 3.421
98 2HZ LYS 11 2HZ LYS 11 7.276 -7.616 1.921
99 3HZ LYS 11 3HZ LYS 11 8.017 -8.185 3.330
100 H THR 12 H THR 12 5.091 -3.723 -2.018
101 HA THR 12 HA THR 12 3.550 -1.240 -1.900
102 HB THR 12 HB THR 12 2.761 -1.654 -4.349
103 HG1 THR 12 HG1 THR 12 5.301 -2.946 -4.432
104 1HG2 THR 12 1HG2 THR 12 4.158 0.290 -3.497
105 2HG2 THR 12 2HG2 THR 12 5.564 -0.578 -4.114
106 3HG2 THR 12 3HG2 THR 12 4.287 -0.071 -5.219
107 H ILE 13 H ILE 13 1.716 -1.664 -0.959
108 HA ILE 13 HA ILE 13 -0.016 -3.910 -1.604
109 HB ILE 13 HB ILE 13 -0.446 -4.477 0.881
110 1HG1 ILE 13 1HG1 ILE 13 2.367 -4.199 1.750
111 2HG1 ILE 13 2HG1 ILE 13 1.646 -2.627 1.451
112 1HG2 ILE 13 1HG2 ILE 13 2.050 -5.453 -0.495
113 2HG2 ILE 13 2HG2 ILE 13 1.275 -6.256 0.872
114 3HG2 ILE 13 3HG2 ILE 13 0.412 -6.087 -0.658
115 1HD1 ILE 13 1HD1 ILE 13 0.405 -4.694 3.250
116 2HD1 ILE 13 2HD1 ILE 13 1.515 -3.443 3.812
117 3HD1 ILE 13 3HD1 ILE 13 -0.035 -2.992 3.095
118 H THR 14 H THR 14 -2.170 -3.573 -1.339
119 HA THR 14 HA THR 14 -3.057 -1.016 -0.184
120 HB THR 14 HB THR 14 -3.273 -0.787 -2.586
121 HG1 THR 14 HG1 THR 14 -5.323 -0.023 -2.625
122 1HG2 THR 14 1HG2 THR 14 -4.928 -3.317 -2.615
123 2HG2 THR 14 2HG2 THR 14 -5.106 -2.075 -3.859
124 3HG2 THR 14 3HG2 THR 14 -3.554 -2.882 -3.632
125 H LEU 15 H LEU 15 -5.002 -0.815 0.892
126 HA LEU 15 HA LEU 15 -6.226 -3.258 2.005
127 1HB LEU 15 1HB LEU 15 -4.782 -1.409 3.386
128 2HB LEU 15 2HB LEU 15 -6.392 -0.737 3.558
129 HG LEU 15 HG LEU 15 -6.523 -3.568 4.173
130 1HD1 LEU 15 1HD1 LEU 15 -4.101 -3.331 4.662
131 2HD1 LEU 15 2HD1 LEU 15 -4.508 -2.125 5.882
132 3HD1 LEU 15 3HD1 LEU 15 -5.076 -3.784 6.059
133 1HD2 LEU 15 1HD2 LEU 15 -8.076 -1.831 4.994
134 2HD2 LEU 15 2HD2 LEU 15 -7.418 -2.831 6.289
135 3HD2 LEU 15 3HD2 LEU 15 -6.793 -1.202 6.028
136 H GLU 16 H GLU 16 -8.382 -3.522 1.940
137 HA GLU 16 HA GLU 16 -10.179 -1.357 1.032
138 1HB GLU 16 1HB GLU 16 -9.769 -4.077 -0.145
139 2HB GLU 16 2HB GLU 16 -11.402 -3.429 -0.137
140 1HG GLU 16 1HG GLU 16 -10.360 -1.346 -1.242
141 2HG GLU 16 2HG GLU 16 -8.970 -2.380 -1.556
142 H VAL 17 H VAL 17 -12.240 -1.261 1.837
143 HA VAL 17 HA VAL 17 -12.888 -2.901 4.194
144 HB VAL 17 HB VAL 17 -14.687 -1.113 4.706
145 1HG1 VAL 17 1HG1 VAL 17 -12.548 -1.489 5.922
146 2HG1 VAL 17 2HG1 VAL 17 -11.848 -0.179 4.971
147 3HG1 VAL 17 3HG1 VAL 17 -13.206 0.142 6.047
148 1HG2 VAL 17 1HG2 VAL 17 -14.491 0.164 2.491
149 2HG2 VAL 17 2HG2 VAL 17 -14.477 1.142 3.959
150 3HG2 VAL 17 3HG2 VAL 17 -12.969 0.806 3.106
No H/Q in entry = 150
Start of MODEL 23
1 H1 MET 1 H1 MET 1 -14.124 0.424 -2.191
2 H2 MET 1 H2 MET 1 -14.064 0.164 -0.521
3 H3 MET 1 H3 MET 1 -15.112 1.330 -1.158
4 HA MET 1 HA MET 1 -13.287 2.675 -1.887
5 1HB MET 1 1HB MET 1 -14.169 2.320 0.692
6 2HB MET 1 2HB MET 1 -12.432 2.139 0.900
7 1HG MET 1 1HG MET 1 -12.007 4.331 0.388
8 2HG MET 1 2HG MET 1 -13.440 4.492 -0.627
9 1HE MET 1 1HE MET 1 -15.866 4.569 0.309
10 2HE MET 1 2HE MET 1 -16.164 5.712 1.621
11 3HE MET 1 3HE MET 1 -15.236 6.214 0.208
12 H GLN 2 H GLN 2 -11.146 3.065 -2.312
13 HA GLN 2 HA GLN 2 -9.113 1.000 -1.810
14 1HB GLN 2 1HB GLN 2 -9.906 2.153 -4.461
15 2HB GLN 2 2HB GLN 2 -8.199 1.839 -4.181
16 1HG GLN 2 1HG GLN 2 -8.506 -0.452 -4.020
17 2HG GLN 2 2HG GLN 2 -10.227 -0.299 -3.667
18 2HE2 GLN 2 2HE2 GLN 2 -7.787 -0.377 -6.195
19 1HE2 GLN 2 1HE2 GLN 2 -8.895 -0.500 -7.514
20 H ILE 3 H ILE 3 -7.298 1.680 -0.954
21 HA ILE 3 HA ILE 3 -6.198 4.343 -1.264
22 HB ILE 3 HB ILE 3 -5.781 4.559 1.313
23 1HG1 ILE 3 1HG1 ILE 3 -8.436 3.695 2.156
24 2HG1 ILE 3 2HG1 ILE 3 -7.608 2.319 1.447
25 1HG2 ILE 3 1HG2 ILE 3 -8.432 5.254 0.067
26 2HG2 ILE 3 2HG2 ILE 3 -7.810 5.959 1.558
27 3HG2 ILE 3 3HG2 ILE 3 -6.948 6.206 0.038
28 1HD1 ILE 3 1HD1 ILE 3 -6.198 3.956 3.495
29 2HD1 ILE 3 2HD1 ILE 3 -7.449 2.816 3.992
30 3HD1 ILE 3 3HD1 ILE 3 -6.034 2.243 3.107
31 H PHE 4 H PHE 4 -4.172 4.203 -1.701
32 HA PHE 4 HA PHE 4 -2.647 1.745 -1.335
33 1HB PHE 4 1HB PHE 4 -2.562 4.094 -3.132
34 2HB PHE 4 2HB PHE 4 -0.993 3.435 -2.725
35 HD1 PHE 4 HD1 PHE 4 -4.384 2.581 -4.442
36 HD2 PHE 4 HD2 PHE 4 -0.070 1.431 -3.822
37 HE1 PHE 4 HE1 PHE 4 -4.552 0.898 -6.397
38 HE2 PHE 4 HE2 PHE 4 -0.250 -0.259 -5.777
39 HZ PHE 4 HZ PHE 4 -2.483 -0.521 -7.074
40 H VAL 5 H VAL 5 -0.714 1.448 -0.321
41 HA VAL 5 HA VAL 5 0.536 3.578 1.248
42 HB VAL 5 HB VAL 5 -1.096 2.337 2.731
43 1HG1 VAL 5 1HG1 VAL 5 -0.767 0.005 1.905
44 2HG1 VAL 5 2HG1 VAL 5 0.742 -0.044 2.817
45 3HG1 VAL 5 3HG1 VAL 5 -0.792 0.183 3.658
46 1HG2 VAL 5 1HG2 VAL 5 0.862 3.587 3.632
47 2HG2 VAL 5 2HG2 VAL 5 0.206 2.348 4.703
48 3HG2 VAL 5 3HG2 VAL 5 1.693 2.042 3.808
49 H LYS 6 H LYS 6 2.655 3.741 0.898
50 HA LYS 6 HA LYS 6 4.207 1.508 -0.264
51 1HB LYS 6 1HB LYS 6 3.621 3.886 -1.494
52 2HB LYS 6 2HB LYS 6 5.180 4.257 -0.777
53 1HG LYS 6 1HG LYS 6 6.287 2.620 -2.038
54 2HG LYS 6 2HG LYS 6 4.788 1.790 -2.447
55 1HD LYS 6 1HD LYS 6 4.282 3.225 -4.153
56 2HD LYS 6 2HD LYS 6 5.049 4.612 -3.382
57 1HE LYS 6 1HE LYS 6 6.515 4.272 -5.096
58 2HE LYS 6 2HE LYS 6 7.257 3.220 -3.893
59 1HZ LYS 6 1HZ LYS 6 5.335 2.292 -5.962
60 2HZ LYS 6 2HZ LYS 6 7.016 2.200 -6.121
61 3HZ LYS 6 3HZ LYS 6 6.235 1.326 -4.902
62 H THR 7 H THR 7 6.289 1.093 0.371
63 HA THR 7 HA THR 7 7.348 2.360 2.835
64 HB THR 7 HB THR 7 8.627 0.121 3.106
65 HG1 THR 7 HG1 THR 7 8.136 -0.866 1.160
66 1HG2 THR 7 1HG2 THR 7 5.718 0.531 3.676
67 2HG2 THR 7 2HG2 THR 7 6.483 -1.006 4.080
68 3HG2 THR 7 3HG2 THR 7 7.085 0.493 4.790
69 H LEU 8 H LEU 8 9.535 2.828 3.045
70 HA LEU 8 HA LEU 8 11.029 3.611 0.730
71 1HB LEU 8 1HB LEU 8 11.001 4.234 3.469
72 2HB LEU 8 2HB LEU 8 12.600 3.586 3.179
73 HG LEU 8 HG LEU 8 12.150 5.437 1.063
74 1HD1 LEU 8 1HD1 LEU 8 11.275 6.601 3.703
75 2HD1 LEU 8 2HD1 LEU 8 11.743 7.555 2.294
76 3HD1 LEU 8 3HD1 LEU 8 10.336 6.494 2.213
77 1HD2 LEU 8 1HD2 LEU 8 14.313 4.986 2.097
78 2HD2 LEU 8 2HD2 LEU 8 13.965 6.714 2.074
79 3HD2 LEU 8 3HD2 LEU 8 13.788 5.800 3.572
80 H ASP 9 H ASP 9 11.039 0.617 2.514
81 HA ASP 9 HA ASP 9 13.694 -0.368 2.019
82 1HB ASP 9 1HB ASP 9 11.750 -1.122 3.738
83 2HB ASP 9 2HB ASP 9 11.529 -2.347 2.496
84 H GLY 10 H GLY 10 10.591 -0.735 0.264
85 1HA GLY 10 2HA GLY 10 11.920 -2.185 -1.966
86 2HA GLY 10 1HA GLY 10 10.763 -0.894 -2.220
87 H LYS 11 H LYS 11 8.660 -1.444 -0.606
88 HA LYS 11 HA LYS 11 7.492 -3.923 -1.687
89 1HB LYS 11 1HB LYS 11 7.936 -3.322 1.163
90 2HB LYS 11 2HB LYS 11 6.267 -3.718 0.806
91 1HG LYS 11 1HG LYS 11 6.762 -5.874 0.885
92 2HG LYS 11 2HG LYS 11 7.806 -5.686 -0.515
93 1HD LYS 11 1HD LYS 11 9.579 -6.218 0.742
94 2HD LYS 11 2HD LYS 11 9.321 -4.784 1.728
95 1HE LYS 11 1HE LYS 11 9.253 -6.393 3.352
96 2HE LYS 11 2HE LYS 11 7.545 -6.362 2.919
97 1HZ LYS 11 1HZ LYS 11 8.058 -8.226 1.354
98 2HZ LYS 11 2HZ LYS 11 9.593 -8.326 2.055
99 3HZ LYS 11 3HZ LYS 11 8.217 -8.614 2.993
100 H THR 12 H THR 12 5.327 -3.876 -2.218
101 HA THR 12 HA THR 12 3.701 -1.469 -1.729
102 HB THR 12 HB THR 12 2.782 -1.732 -4.145
103 HG1 THR 12 HG1 THR 12 3.758 -3.195 -5.300
104 1HG2 THR 12 1HG2 THR 12 5.436 -0.476 -3.496
105 2HG2 THR 12 2HG2 THR 12 4.684 -0.301 -5.082
106 3HG2 THR 12 3HG2 THR 12 3.857 0.295 -3.643
107 H ILE 13 H ILE 13 1.712 -1.847 -1.060
108 HA ILE 13 HA ILE 13 0.115 -4.176 -1.726
109 HB ILE 13 HB ILE 13 -0.505 -4.639 0.747
110 1HG1 ILE 13 1HG1 ILE 13 2.202 -4.349 1.847
111 2HG1 ILE 13 2HG1 ILE 13 1.601 -2.775 1.356
112 1HG2 ILE 13 1HG2 ILE 13 2.070 -5.641 -0.439
113 2HG2 ILE 13 2HG2 ILE 13 1.256 -6.379 0.941
114 3HG2 ILE 13 3HG2 ILE 13 0.451 -6.314 -0.629
115 1HD1 ILE 13 1HD1 ILE 13 0.074 -4.636 3.157
116 2HD1 ILE 13 2HD1 ILE 13 1.186 -3.398 3.744
117 3HD1 ILE 13 3HD1 ILE 13 -0.254 -2.932 2.837
118 H THR 14 H THR 14 -2.065 -3.891 -1.660
119 HA THR 14 HA THR 14 -3.105 -1.185 -1.296
120 HB THR 14 HB THR 14 -5.313 -2.205 -2.113
121 HG1 THR 14 HG1 THR 14 -3.575 -4.382 -2.742
122 1HG2 THR 14 1HG2 THR 14 -3.448 -1.016 -3.525
123 2HG2 THR 14 2HG2 THR 14 -3.318 -2.614 -4.263
124 3HG2 THR 14 3HG2 THR 14 -4.863 -1.759 -4.275
125 H LEU 15 H LEU 15 -4.695 -0.489 0.069
126 HA LEU 15 HA LEU 15 -5.559 -2.225 2.282
127 1HB LEU 15 1HB LEU 15 -4.055 0.129 2.468
128 2HB LEU 15 2HB LEU 15 -5.681 0.657 2.845
129 HG LEU 15 HG LEU 15 -5.125 -1.760 4.351
130 1HD1 LEU 15 1HD1 LEU 15 -3.070 0.411 4.729
131 2HD1 LEU 15 2HD1 LEU 15 -3.337 -0.951 5.819
132 3HD1 LEU 15 3HD1 LEU 15 -2.774 -1.236 4.172
133 1HD2 LEU 15 1HD2 LEU 15 -6.785 -0.025 4.945
134 2HD2 LEU 15 2HD2 LEU 15 -5.692 -0.418 6.271
135 3HD2 LEU 15 3HD2 LEU 15 -5.461 1.068 5.348
136 H GLU 16 H GLU 16 -7.511 -2.908 1.866
137 HA GLU 16 HA GLU 16 -9.614 -1.122 0.811
138 1HB GLU 16 1HB GLU 16 -8.735 -3.828 -0.078
139 2HB GLU 16 2HB GLU 16 -10.462 -3.505 -0.112
140 1HG GLU 16 1HG GLU 16 -9.703 -1.335 -1.400
141 2HG GLU 16 2HG GLU 16 -8.263 -2.294 -1.728
142 H VAL 17 H VAL 17 -11.695 -1.274 1.588
143 HA VAL 17 HA VAL 17 -12.450 -3.221 3.635
144 HB VAL 17 HB VAL 17 -13.535 -1.373 5.088
145 1HG1 VAL 17 1HG1 VAL 17 -11.666 -2.833 5.749
146 2HG1 VAL 17 2HG1 VAL 17 -10.542 -1.584 5.213
147 3HG1 VAL 17 3HG1 VAL 17 -11.654 -1.258 6.543
148 1HG2 VAL 17 1HG2 VAL 17 -13.092 0.639 3.686
149 2HG2 VAL 17 2HG2 VAL 17 -12.414 0.791 5.309
150 3HG2 VAL 17 3HG2 VAL 17 -11.361 0.420 3.944
No H/Q in entry = 150
Start of MODEL 24
1 H1 MET 1 H1 MET 1 -13.630 0.543 -2.478
2 H2 MET 1 H2 MET 1 -13.989 0.613 -0.827
3 H3 MET 1 H3 MET 1 -14.788 1.638 -1.912
4 HA MET 1 HA MET 1 -12.885 2.888 -2.351
5 1HB MET 1 1HB MET 1 -12.099 3.644 -0.010
6 2HB MET 1 2HB MET 1 -13.799 3.802 -0.378
7 1HG MET 1 1HG MET 1 -13.908 1.480 0.957
8 2HG MET 1 2HG MET 1 -12.418 2.111 1.656
9 1HE MET 1 1HE MET 1 -12.145 4.250 2.790
10 2HE MET 1 2HE MET 1 -13.374 4.953 3.842
11 3HE MET 1 3HE MET 1 -12.805 3.306 4.126
12 H GLN 2 H GLN 2 -10.771 3.179 -2.720
13 HA GLN 2 HA GLN 2 -8.834 1.118 -1.886
14 1HB GLN 2 1HB GLN 2 -9.298 2.296 -4.604
15 2HB GLN 2 2HB GLN 2 -7.644 1.915 -4.139
16 1HG GLN 2 1HG GLN 2 -8.116 -0.379 -3.923
17 2HG GLN 2 2HG GLN 2 -9.857 -0.108 -3.949
18 2HE2 GLN 2 2HE2 GLN 2 -6.945 -0.391 -5.898
19 1HE2 GLN 2 1HE2 GLN 2 -7.754 -0.476 -7.422
20 H ILE 3 H ILE 3 -7.073 1.739 -0.883
21 HA ILE 3 HA ILE 3 -5.974 4.428 -1.023
22 HB ILE 3 HB ILE 3 -5.676 4.476 1.575
23 1HG1 ILE 3 1HG1 ILE 3 -8.349 3.473 2.213
24 2HG1 ILE 3 2HG1 ILE 3 -7.416 2.175 1.489
25 1HG2 ILE 3 1HG2 ILE 3 -6.848 6.163 0.329
26 2HG2 ILE 3 2HG2 ILE 3 -8.311 5.177 0.291
27 3HG2 ILE 3 3HG2 ILE 3 -7.723 5.826 1.822
28 1HD1 ILE 3 1HD1 ILE 3 -6.096 3.707 3.640
29 2HD1 ILE 3 2HD1 ILE 3 -7.453 2.676 4.096
30 3HD1 ILE 3 3HD1 ILE 3 -6.054 1.982 3.275
31 H PHE 4 H PHE 4 -3.920 4.399 -1.337
32 HA PHE 4 HA PHE 4 -2.327 1.979 -0.865
33 1HB PHE 4 1HB PHE 4 -2.487 3.994 -2.998
34 2HB PHE 4 2HB PHE 4 -0.837 3.654 -2.520
35 HD1 PHE 4 HD1 PHE 4 -3.998 2.192 -4.170
36 HD2 PHE 4 HD2 PHE 4 0.326 1.468 -3.100
37 HE1 PHE 4 HE1 PHE 4 -3.933 0.176 -5.781
38 HE2 PHE 4 HE2 PHE 4 0.373 -0.560 -4.706
39 HZ PHE 4 HZ PHE 4 -1.750 -1.204 -6.056
40 H VAL 5 H VAL 5 -0.355 1.921 0.099
41 HA VAL 5 HA VAL 5 0.940 4.276 1.219
42 HB VAL 5 HB VAL 5 1.365 3.065 3.478
43 1HG1 VAL 5 1HG1 VAL 5 0.130 5.115 3.314
44 2HG1 VAL 5 2HG1 VAL 5 -1.346 4.237 2.917
45 3HG1 VAL 5 3HG1 VAL 5 -0.616 4.058 4.513
46 1HG2 VAL 5 1HG2 VAL 5 0.241 0.857 2.898
47 2HG2 VAL 5 2HG2 VAL 5 -0.263 1.578 4.426
48 3HG2 VAL 5 3HG2 VAL 5 -1.306 1.700 3.009
49 H LYS 6 H LYS 6 3.053 4.277 0.904
50 HA LYS 6 HA LYS 6 4.450 1.781 0.147
51 1HB LYS 6 1HB LYS 6 4.605 4.566 -0.950
52 2HB LYS 6 2HB LYS 6 6.036 3.549 -1.025
53 1HG LYS 6 1HG LYS 6 4.442 1.809 -2.116
54 2HG LYS 6 2HG LYS 6 3.387 3.196 -2.386
55 1HD LYS 6 1HD LYS 6 5.454 4.298 -3.459
56 2HD LYS 6 2HD LYS 6 6.136 2.672 -3.485
57 1HE LYS 6 1HE LYS 6 4.055 1.944 -4.708
58 2HE LYS 6 2HE LYS 6 3.645 3.653 -4.862
59 1HZ LYS 6 1HZ LYS 6 5.825 3.958 -5.978
60 2HZ LYS 6 2HZ LYS 6 6.031 2.278 -5.968
61 3HZ LYS 6 3HZ LYS 6 4.754 2.969 -6.836
62 H THR 7 H THR 7 6.437 1.254 0.885
63 HA THR 7 HA THR 7 7.440 2.468 3.365
64 HB THR 7 HB THR 7 8.982 0.383 3.329
65 HG1 THR 7 HG1 THR 7 8.647 -0.289 1.216
66 1HG2 THR 7 1HG2 THR 7 6.959 0.700 4.802
67 2HG2 THR 7 2HG2 THR 7 6.038 -0.210 3.606
68 3HG2 THR 7 3HG2 THR 7 7.382 -0.976 4.454
69 H LEU 8 H LEU 8 8.476 1.900 0.010
70 HA LEU 8 HA LEU 8 10.040 2.712 -1.400
71 1HB LEU 8 1HB LEU 8 10.772 4.541 0.888
72 2HB LEU 8 2HB LEU 8 11.826 4.451 -0.505
73 HG LEU 8 HG LEU 8 9.069 4.845 -1.377
74 1HD1 LEU 8 1HD1 LEU 8 8.727 5.919 0.782
75 2HD1 LEU 8 2HD1 LEU 8 10.114 6.969 0.488
76 3HD1 LEU 8 3HD1 LEU 8 8.681 7.093 -0.533
77 1HD2 LEU 8 1HD2 LEU 8 11.172 5.342 -2.661
78 2HD2 LEU 8 2HD2 LEU 8 9.962 6.624 -2.676
79 3HD2 LEU 8 3HD2 LEU 8 11.378 6.763 -1.636
80 H ASP 9 H ASP 9 10.781 0.846 1.303
81 HA ASP 9 HA ASP 9 13.593 0.295 0.991
82 1HB ASP 9 1HB ASP 9 11.846 -0.115 3.029
83 2HB ASP 9 2HB ASP 9 11.919 -1.739 2.356
84 H GLY 10 H GLY 10 10.601 -1.287 -0.206
85 1HA GLY 10 2HA GLY 10 12.068 -3.440 -1.596
86 2HA GLY 10 1HA GLY 10 11.144 -2.310 -2.561
87 H LYS 11 H LYS 11 8.864 -2.050 -0.749
88 HA LYS 11 HA LYS 11 7.320 -4.390 -1.491
89 1HB LYS 11 1HB LYS 11 6.254 -4.678 0.833
90 2HB LYS 11 2HB LYS 11 7.844 -5.362 0.600
91 1HG LYS 11 1HG LYS 11 8.680 -3.183 1.790
92 2HG LYS 11 2HG LYS 11 7.005 -3.035 2.318
93 1HD LYS 11 1HD LYS 11 7.270 -5.463 3.136
94 2HD LYS 11 2HD LYS 11 9.001 -5.191 2.943
95 1HE LYS 11 1HE LYS 11 8.999 -3.448 4.551
96 2HE LYS 11 2HE LYS 11 7.237 -3.379 4.573
97 1HZ LYS 11 1HZ LYS 11 8.855 -5.689 5.505
98 2HZ LYS 11 2HZ LYS 11 8.165 -4.521 6.516
99 3HZ LYS 11 3HZ LYS 11 7.173 -5.541 5.600
100 H THR 12 H THR 12 5.189 -4.037 -1.905
101 HA THR 12 HA THR 12 3.918 -1.456 -1.234
102 HB THR 12 HB THR 12 2.832 -1.500 -3.582
103 HG1 THR 12 HG1 THR 12 3.534 -2.935 -4.949
104 1HG2 THR 12 1HG2 THR 12 5.666 -0.676 -3.049
105 2HG2 THR 12 2HG2 THR 12 4.935 -0.418 -4.634
106 3HG2 THR 12 3HG2 THR 12 4.224 0.326 -3.203
107 H ILE 13 H ILE 13 1.862 -1.563 -0.539
108 HA ILE 13 HA ILE 13 0.041 -3.760 -1.132
109 HB ILE 13 HB ILE 13 -0.612 -4.103 1.327
110 1HG1 ILE 13 1HG1 ILE 13 2.080 -3.854 2.485
111 2HG1 ILE 13 2HG1 ILE 13 1.521 -2.284 1.930
112 1HG2 ILE 13 1HG2 ILE 13 1.971 -5.262 0.304
113 2HG2 ILE 13 2HG2 ILE 13 1.027 -5.919 1.641
114 3HG2 ILE 13 3HG2 ILE 13 0.335 -5.858 0.018
115 1HD1 ILE 13 1HD1 ILE 13 -0.044 -4.063 3.783
116 2HD1 ILE 13 2HD1 ILE 13 1.029 -2.768 4.316
117 3HD1 ILE 13 3HD1 ILE 13 -0.401 -2.390 3.352
118 H THR 14 H THR 14 -2.125 -3.353 -0.978
119 HA THR 14 HA THR 14 -3.018 -0.688 -0.097
120 HB THR 14 HB THR 14 -3.134 -0.535 -2.494
121 HG1 THR 14 HG1 THR 14 -4.840 0.539 -1.842
122 1HG2 THR 14 1HG2 THR 14 -3.336 -3.025 -3.056
123 2HG2 THR 14 2HG2 THR 14 -5.070 -2.836 -2.791
124 3HG2 THR 14 3HG2 THR 14 -4.262 -1.901 -4.053
125 H LEU 15 H LEU 15 -4.964 -0.421 0.924
126 HA LEU 15 HA LEU 15 -6.181 -2.813 2.139
127 1HB LEU 15 1HB LEU 15 -5.003 -0.702 3.386
128 2HB LEU 15 2HB LEU 15 -6.668 -0.159 3.365
129 HG LEU 15 HG LEU 15 -6.634 -2.900 4.293
130 1HD1 LEU 15 1HD1 LEU 15 -4.316 -2.541 4.938
131 2HD1 LEU 15 2HD1 LEU 15 -4.783 -1.106 5.852
132 3HD1 LEU 15 3HD1 LEU 15 -5.357 -2.696 6.354
133 1HD2 LEU 15 1HD2 LEU 15 -7.244 -0.340 5.769
134 2HD2 LEU 15 2HD2 LEU 15 -8.388 -1.300 4.832
135 3HD2 LEU 15 3HD2 LEU 15 -7.673 -1.967 6.300
136 H GLU 16 H GLU 16 -8.212 -3.360 1.775
137 HA GLU 16 HA GLU 16 -10.215 -1.493 0.671
138 1HB GLU 16 1HB GLU 16 -9.212 -4.032 -0.564
139 2HB GLU 16 2HB GLU 16 -10.924 -3.669 -0.721
140 1HG GLU 16 1HG GLU 16 -10.079 -1.351 -1.571
141 2HG GLU 16 2HG GLU 16 -8.564 -2.208 -1.849
142 H VAL 17 H VAL 17 -12.367 -1.848 1.195
143 HA VAL 17 HA VAL 17 -12.935 -3.493 3.535
144 HB VAL 17 HB VAL 17 -15.282 -2.415 3.479
145 1HG1 VAL 17 1HG1 VAL 17 -13.542 -1.852 5.083
146 2HG1 VAL 17 2HG1 VAL 17 -12.929 -0.613 3.987
147 3HG1 VAL 17 3HG1 VAL 17 -14.543 -0.458 4.680
148 1HG2 VAL 17 1HG2 VAL 17 -15.349 -1.412 1.228
149 2HG2 VAL 17 2HG2 VAL 17 -15.517 -0.168 2.470
150 3HG2 VAL 17 3HG2 VAL 17 -13.980 -0.378 1.634
No H/Q in entry = 150
Start of MODEL 25
1 H1 MET 1 H1 MET 1 -14.025 -0.038 -1.171
2 H2 MET 1 H2 MET 1 -13.718 -0.144 0.489
3 H3 MET 1 H3 MET 1 -14.938 0.879 -0.080
4 HA MET 1 HA MET 1 -13.339 2.273 -1.182
5 1HB MET 1 1HB MET 1 -13.857 2.101 1.527
6 2HB MET 1 2HB MET 1 -12.101 2.123 1.496
7 1HG MET 1 2HG MET 1 -12.463 4.349 1.635
8 2HG MET 1 1HG MET 1 -12.545 4.197 -0.118
9 1HE MET 1 1HE MET 1 -14.462 4.374 3.192
10 2HE MET 1 2HE MET 1 -14.232 6.046 2.674
11 3HE MET 1 3HE MET 1 -15.858 5.368 2.768
12 H GLN 2 H GLN 2 -11.293 2.785 -1.887
13 HA GLN 2 HA GLN 2 -9.062 0.914 -1.474
14 1HB GLN 2 1HB GLN 2 -10.420 0.975 -3.846
15 2HB GLN 2 2HB GLN 2 -9.194 2.189 -4.156
16 1HG GLN 2 1HG GLN 2 -7.477 0.467 -3.497
17 2HG GLN 2 2HG GLN 2 -8.780 -0.716 -3.490
18 2HE2 GLN 2 2HE2 GLN 2 -6.732 1.319 -5.499
19 1HE2 GLN 2 1HE2 GLN 2 -7.171 0.589 -7.002
20 H ILE 3 H ILE 3 -7.229 1.787 -0.851
21 HA ILE 3 HA ILE 3 -6.363 4.480 -1.464
22 HB ILE 3 HB ILE 3 -5.719 4.962 1.015
23 1HG1 ILE 3 1HG1 ILE 3 -8.182 3.924 2.210
24 2HG1 ILE 3 2HG1 ILE 3 -7.254 2.583 1.560
25 1HG2 ILE 3 1HG2 ILE 3 -8.489 5.319 -0.091
26 2HG2 ILE 3 2HG2 ILE 3 -7.946 6.108 1.390
27 3HG2 ILE 3 3HG2 ILE 3 -7.126 6.439 -0.136
28 1HD1 ILE 3 1HD1 ILE 3 -5.793 4.543 3.228
29 2HD1 ILE 3 2HD1 ILE 3 -6.953 3.484 4.032
30 3HD1 ILE 3 3HD1 ILE 3 -5.618 2.791 3.110
31 H PHE 4 H PHE 4 -4.367 4.477 -2.052
32 HA PHE 4 HA PHE 4 -2.653 2.148 -1.727
33 1HB PHE 4 1HB PHE 4 -2.843 4.449 -3.581
34 2HB PHE 4 2HB PHE 4 -1.215 3.884 -3.283
35 HD1 PHE 4 HD1 PHE 4 -4.677 2.812 -4.712
36 HD2 PHE 4 HD2 PHE 4 -0.275 1.888 -4.393
37 HE1 PHE 4 HE1 PHE 4 -4.905 1.066 -6.603
38 HE2 PHE 4 HE2 PHE 4 -0.517 0.136 -6.284
39 HZ PHE 4 HZ PHE 4 -2.825 -0.271 -7.399
40 H VAL 5 H VAL 5 -0.669 1.983 -0.818
41 HA VAL 5 HA VAL 5 0.730 4.203 0.433
42 HB VAL 5 HB VAL 5 1.114 2.865 2.631
43 1HG1 VAL 5 1HG1 VAL 5 -0.051 5.005 2.472
44 2HG1 VAL 5 2HG1 VAL 5 -1.575 4.151 2.232
45 3HG1 VAL 5 3HG1 VAL 5 -0.698 3.979 3.752
46 1HG2 VAL 5 1HG2 VAL 5 -0.076 0.742 2.077
47 2HG2 VAL 5 2HG2 VAL 5 -0.705 1.505 3.535
48 3HG2 VAL 5 3HG2 VAL 5 -1.597 1.629 2.017
49 H LYS 6 H LYS 6 2.884 4.078 0.346
50 HA LYS 6 HA LYS 6 4.169 1.598 -0.616
51 1HB LYS 6 1HB LYS 6 4.050 4.042 -1.883
52 2HB LYS 6 2HB LYS 6 5.613 4.128 -1.088
53 1HG LYS 6 1HG LYS 6 6.452 2.289 -2.287
54 2HG LYS 6 2HG LYS 6 4.846 1.768 -2.782
55 1HD LYS 6 1HD LYS 6 5.029 2.916 -4.687
56 2HD LYS 6 2HD LYS 6 5.217 4.424 -3.799
57 1HE LYS 6 1HE LYS 6 7.640 4.048 -3.681
58 2HE LYS 6 2HE LYS 6 7.450 2.527 -4.552
59 1HZ LYS 6 1HZ LYS 6 6.485 3.851 -6.407
60 2HZ LYS 6 2HZ LYS 6 6.921 5.260 -5.578
61 3HZ LYS 6 3HZ LYS 6 8.116 4.180 -6.100
62 H THR 7 H THR 7 6.110 0.885 0.173
63 HA THR 7 HA THR 7 7.034 1.877 2.786
64 HB THR 7 HB THR 7 8.200 -0.682 1.966
65 HG1 THR 7 HG1 THR 7 5.372 -0.580 2.276
66 1HG2 THR 7 1HG2 THR 7 8.199 0.292 4.289
67 2HG2 THR 7 2HG2 THR 7 6.490 -0.135 4.381
68 3HG2 THR 7 3HG2 THR 7 7.705 -1.398 4.178
69 H LEU 8 H LEU 8 9.166 2.315 3.279
70 HA LEU 8 HA LEU 8 10.884 3.403 1.256
71 1HB LEU 8 1HB LEU 8 10.711 3.399 4.165
72 2HB LEU 8 2HB LEU 8 12.372 3.287 3.629
73 HG LEU 8 HG LEU 8 11.175 5.369 2.071
74 1HD1 LEU 8 1HD1 LEU 8 9.404 5.470 3.797
75 2HD1 LEU 8 2HD1 LEU 8 10.642 5.824 5.002
76 3HD1 LEU 8 3HD1 LEU 8 10.355 6.951 3.676
77 1HD2 LEU 8 1HD2 LEU 8 13.533 5.246 2.758
78 2HD2 LEU 8 2HD2 LEU 8 12.804 6.809 3.129
79 3HD2 LEU 8 3HD2 LEU 8 13.057 5.628 4.413
80 H ASP 9 H ASP 9 10.863 0.263 2.863
81 HA ASP 9 HA ASP 9 13.571 -0.587 2.397
82 1HB ASP 9 1HB ASP 9 11.523 -1.509 3.977
83 2HB ASP 9 2HB ASP 9 11.579 -2.734 2.716
84 H GLY 10 H GLY 10 10.531 -1.005 0.555
85 1HA GLY 10 2HA GLY 10 11.936 -2.388 -1.670
86 2HA GLY 10 1HA GLY 10 10.835 -1.052 -1.947
87 H LYS 11 H LYS 11 8.642 -1.531 -0.480
88 HA LYS 11 HA LYS 11 7.454 -4.000 -1.578
89 1HB LYS 11 1HB LYS 11 7.529 -3.154 1.295
90 2HB LYS 11 2HB LYS 11 6.054 -3.903 0.707
91 1HG LYS 11 1HG LYS 11 7.256 -5.898 0.090
92 2HG LYS 11 2HG LYS 11 8.793 -5.142 0.517
93 1HD LYS 11 1HD LYS 11 7.870 -4.872 2.854
94 2HD LYS 11 2HD LYS 11 6.534 -5.910 2.356
95 1HE LYS 11 1HE LYS 11 8.315 -7.597 1.665
96 2HE LYS 11 2HE LYS 11 9.455 -6.589 2.559
97 1HZ LYS 11 1HZ LYS 11 8.049 -6.880 4.534
98 2HZ LYS 11 2HZ LYS 11 7.043 -7.923 3.663
99 3HZ LYS 11 3HZ LYS 11 8.653 -8.350 3.958
100 H THR 12 H THR 12 5.293 -3.915 -2.198
101 HA THR 12 HA THR 12 3.745 -1.428 -1.909
102 HB THR 12 HB THR 12 2.913 -1.798 -4.349
103 HG1 THR 12 HG1 THR 12 5.439 -3.112 -4.493
104 1HG2 THR 12 1HG2 THR 12 5.641 -0.642 -3.771
105 2HG2 THR 12 2HG2 THR 12 4.773 -0.410 -5.289
106 3HG2 THR 12 3HG2 THR 12 4.095 0.207 -3.783
107 H ILE 13 H ILE 13 1.740 -1.726 -1.239
108 HA ILE 13 HA ILE 13 0.069 -4.004 -1.865
109 HB ILE 13 HB ILE 13 -0.584 -4.408 0.566
110 1HG1 ILE 13 1HG1 ILE 13 0.611 -2.730 1.888
111 2HG1 ILE 13 2HG1 ILE 13 1.093 -4.316 2.409
112 1HG2 ILE 13 1HG2 ILE 13 0.336 -6.102 -0.821
113 2HG2 ILE 13 2HG2 ILE 13 1.981 -5.607 -0.421
114 3HG2 ILE 13 3HG2 ILE 13 0.937 -6.284 0.829
115 1HD1 ILE 13 1HD1 ILE 13 3.325 -3.932 1.295
116 2HD1 ILE 13 2HD1 ILE 13 2.799 -2.296 0.898
117 3HD1 ILE 13 3HD1 ILE 13 2.967 -2.785 2.586
118 H THR 14 H THR 14 -2.101 -3.649 -1.784
119 HA THR 14 HA THR 14 -3.063 -0.909 -1.417
120 HB THR 14 HB THR 14 -5.297 -1.862 -2.264
121 HG1 THR 14 HG1 THR 14 -5.330 -3.880 -3.093
122 1HG2 THR 14 1HG2 THR 14 -3.776 -0.564 -3.676
123 2HG2 THR 14 2HG2 THR 14 -2.980 -2.060 -4.172
124 3HG2 THR 14 3HG2 THR 14 -4.677 -1.786 -4.573
125 H LEU 15 H LEU 15 -4.635 -0.190 -0.030
126 HA LEU 15 HA LEU 15 -5.410 -1.924 2.220
127 1HB LEU 15 1HB LEU 15 -4.118 0.543 2.288
128 2HB LEU 15 2HB LEU 15 -5.780 0.971 2.623
129 HG LEU 15 HG LEU 15 -5.060 -1.309 4.270
130 1HD1 LEU 15 1HD1 LEU 15 -3.193 1.040 4.549
131 2HD1 LEU 15 2HD1 LEU 15 -3.355 -0.287 5.700
132 3HD1 LEU 15 3HD1 LEU 15 -2.755 -0.601 4.072
133 1HD2 LEU 15 1HD2 LEU 15 -5.758 1.545 4.960
134 2HD2 LEU 15 2HD2 LEU 15 -6.860 0.170 4.866
135 3HD2 LEU 15 3HD2 LEU 15 -5.631 0.230 6.129
136 H GLU 16 H GLU 16 -7.260 -2.840 1.788
137 HA GLU 16 HA GLU 16 -9.567 -1.315 0.755
138 1HB GLU 16 1HB GLU 16 -8.387 -3.897 -0.148
139 2HB GLU 16 2HB GLU 16 -10.142 -3.794 -0.142
140 1HG GLU 16 1HG GLU 16 -9.716 -1.564 -1.453
141 2HG GLU 16 2HG GLU 16 -8.151 -2.296 -1.795
142 H VAL 17 H VAL 17 -11.604 -1.704 1.571
143 HA VAL 17 HA VAL 17 -12.102 -3.725 3.622
144 HB VAL 17 HB VAL 17 -13.350 -2.014 5.110
145 1HG1 VAL 17 1HG1 VAL 17 -11.329 -3.269 5.733
146 2HG1 VAL 17 2HG1 VAL 17 -10.348 -1.914 5.174
147 3HG1 VAL 17 3HG1 VAL 17 -11.458 -1.699 6.528
148 1HG2 VAL 17 1HG2 VAL 17 -11.484 -0.012 3.787
149 2HG2 VAL 17 2HG2 VAL 17 -13.243 0.070 3.866
150 3HG2 VAL 17 3HG2 VAL 17 -12.288 0.250 5.336
No H/Q in entry = 150
Start of MODEL 26
1 H1 MET 1 H1 MET 1 -13.891 0.626 -2.146
2 H2 MET 1 H2 MET 1 -13.833 0.258 -0.495
3 H3 MET 1 H3 MET 1 -14.830 1.507 -1.049
4 HA MET 1 HA MET 1 -12.933 2.795 -1.730
5 1HB MET 1 1HB MET 1 -13.862 2.381 0.825
6 2HB MET 1 2HB MET 1 -12.141 2.108 1.042
7 1HG MET 1 1HG MET 1 -11.624 4.285 0.794
8 2HG MET 1 2HG MET 1 -12.853 4.559 -0.444
9 1HE MET 1 1HE MET 1 -11.955 4.170 3.173
10 2HE MET 1 2HE MET 1 -11.983 5.928 3.020
11 3HE MET 1 3HE MET 1 -13.156 5.114 4.057
12 H GLN 2 H GLN 2 -10.773 3.090 -2.124
13 HA GLN 2 HA GLN 2 -8.851 0.911 -1.671
14 1HB GLN 2 1HB GLN 2 -9.533 2.211 -4.284
15 2HB GLN 2 2HB GLN 2 -7.848 1.798 -3.985
16 1HG GLN 2 1HG GLN 2 -8.375 -0.514 -3.746
17 2HG GLN 2 2HG GLN 2 -10.106 -0.182 -3.758
18 2HE2 GLN 2 2HE2 GLN 2 -7.210 -0.510 -5.724
19 1HE2 GLN 2 1HE2 GLN 2 -8.026 -0.525 -7.247
20 H ILE 3 H ILE 3 -7.017 1.460 -0.772
21 HA ILE 3 HA ILE 3 -5.842 4.114 -0.915
22 HB ILE 3 HB ILE 3 -5.390 4.098 1.666
23 1HG1 ILE 3 1HG1 ILE 3 -8.068 3.218 2.440
24 2HG1 ILE 3 2HG1 ILE 3 -7.248 1.890 1.637
25 1HG2 ILE 3 1HG2 ILE 3 -6.595 5.822 0.419
26 2HG2 ILE 3 2HG2 ILE 3 -8.102 4.932 0.645
27 3HG2 ILE 3 3HG2 ILE 3 -7.253 5.600 2.039
28 1HD1 ILE 3 1HD1 ILE 3 -5.848 3.359 3.816
29 2HD1 ILE 3 2HD1 ILE 3 -7.103 2.183 4.208
30 3HD1 ILE 3 3HD1 ILE 3 -5.679 1.682 3.294
31 H PHE 4 H PHE 4 -3.806 4.026 -1.326
32 HA PHE 4 HA PHE 4 -2.266 1.548 -0.960
33 1HB PHE 4 1HB PHE 4 -2.420 3.642 -3.050
34 2HB PHE 4 2HB PHE 4 -0.796 3.090 -2.699
35 HD1 PHE 4 HD1 PHE 4 -4.237 2.028 -4.115
36 HD2 PHE 4 HD2 PHE 4 0.065 0.839 -3.454
37 HE1 PHE 4 HE1 PHE 4 -4.520 0.065 -5.768
38 HE2 PHE 4 HE2 PHE 4 -0.229 -1.116 -5.123
39 HZ PHE 4 HZ PHE 4 -2.518 -1.506 -6.282
40 H VAL 5 H VAL 5 -0.234 1.442 -0.102
41 HA VAL 5 HA VAL 5 1.038 3.806 1.094
42 HB VAL 5 HB VAL 5 1.774 2.364 3.125
43 1HG1 VAL 5 1HG1 VAL 5 0.211 4.312 3.128
44 2HG1 VAL 5 2HG1 VAL 5 -1.120 3.154 3.131
45 3HG1 VAL 5 3HG1 VAL 5 0.027 3.183 4.470
46 1HG2 VAL 5 1HG2 VAL 5 0.783 0.151 2.338
47 2HG2 VAL 5 2HG2 VAL 5 0.384 0.619 3.993
48 3HG2 VAL 5 3HG2 VAL 5 -0.805 0.824 2.707
49 H LYS 6 H LYS 6 3.148 4.032 0.777
50 HA LYS 6 HA LYS 6 4.721 1.827 -0.401
51 1HB LYS 6 1HB LYS 6 4.007 4.144 -1.659
52 2HB LYS 6 2HB LYS 6 5.570 4.603 -1.002
53 1HG LYS 6 1HG LYS 6 6.736 3.141 -2.336
54 2HG LYS 6 2HG LYS 6 5.381 2.024 -2.496
55 1HD LYS 6 1HD LYS 6 4.425 3.198 -4.231
56 2HD LYS 6 2HD LYS 6 5.121 4.741 -3.727
57 1HE LYS 6 1HE LYS 6 7.257 4.154 -4.598
58 2HE LYS 6 2HE LYS 6 6.768 2.479 -4.846
59 1HZ LYS 6 1HZ LYS 6 5.540 4.776 -6.266
60 2HZ LYS 6 2HZ LYS 6 6.813 3.858 -6.895
61 3HZ LYS 6 3HZ LYS 6 5.314 3.133 -6.593
62 H THR 7 H THR 7 6.825 1.477 0.156
63 HA THR 7 HA THR 7 8.036 2.915 2.449
64 HB THR 7 HB THR 7 9.171 0.655 2.990
65 HG1 THR 7 HG1 THR 7 8.596 -0.633 1.313
66 1HG2 THR 7 1HG2 THR 7 6.323 1.337 3.602
67 2HG2 THR 7 2HG2 THR 7 6.995 -0.192 4.173
68 3HG2 THR 7 3HG2 THR 7 7.732 1.334 4.663
69 H LEU 8 H LEU 8 10.271 3.225 2.483
70 HA LEU 8 HA LEU 8 11.667 3.596 0.017
71 1HB LEU 8 1HB LEU 8 12.277 4.013 2.905
72 2HB LEU 8 2HB LEU 8 13.631 3.992 1.793
73 HG LEU 8 HG LEU 8 11.601 5.723 0.679
74 1HD1 LEU 8 1HD1 LEU 8 10.788 5.914 3.011
75 2HD1 LEU 8 2HD1 LEU 8 12.368 6.555 3.466
76 3HD1 LEU 8 3HD1 LEU 8 11.356 7.434 2.320
77 1HD2 LEU 8 1HD2 LEU 8 14.330 6.308 1.820
78 2HD2 LEU 8 2HD2 LEU 8 13.929 5.965 0.137
79 3HD2 LEU 8 3HD2 LEU 8 13.359 7.452 0.893
80 H ASP 9 H ASP 9 11.534 0.806 2.095
81 HA ASP 9 HA ASP 9 14.051 -0.470 1.508
82 1HB ASP 9 1HB ASP 9 11.592 -1.207 3.010
83 2HB ASP 9 2HB ASP 9 12.568 -2.540 2.405
84 H GLY 10 H GLY 10 10.753 -0.749 0.116
85 1HA GLY 10 2HA GLY 10 11.729 -2.535 -2.051
86 2HA GLY 10 1HA GLY 10 10.668 -1.171 -2.349
87 H LYS 11 H LYS 11 8.678 -1.329 -0.537
88 HA LYS 11 HA LYS 11 7.213 -3.793 -1.215
89 1HB LYS 11 1HB LYS 11 7.905 -2.885 1.518
90 2HB LYS 11 2HB LYS 11 6.214 -3.289 1.298
91 1HG LYS 11 1HG LYS 11 6.644 -5.459 1.470
92 2HG LYS 11 2HG LYS 11 7.790 -5.391 0.142
93 1HD LYS 11 1HD LYS 11 9.440 -5.856 1.581
94 2HD LYS 11 2HD LYS 11 9.170 -4.310 2.372
95 1HE LYS 11 1HE LYS 11 8.952 -5.718 4.164
96 2HE LYS 11 2HE LYS 11 7.273 -5.679 3.625
97 1HZ LYS 11 1HZ LYS 11 7.676 -7.745 2.409
98 2HZ LYS 11 2HZ LYS 11 9.270 -7.784 2.974
99 3HZ LYS 11 3HZ LYS 11 7.984 -7.935 4.062
100 H THR 12 H THR 12 5.041 -3.604 -1.594
101 HA THR 12 HA THR 12 3.585 -1.085 -1.177
102 HB THR 12 HB THR 12 2.545 -1.386 -3.543
103 HG1 THR 12 HG1 THR 12 5.028 -2.730 -3.933
104 1HG2 THR 12 1HG2 THR 12 5.277 -0.229 -3.050
105 2HG2 THR 12 2HG2 THR 12 4.468 -0.073 -4.609
106 3HG2 THR 12 3HG2 THR 12 3.728 0.607 -3.159
107 H ILE 13 H ILE 13 1.568 -1.347 -0.458
108 HA ILE 13 HA ILE 13 -0.068 -3.703 -0.966
109 HB ILE 13 HB ILE 13 -0.693 -3.996 1.514
110 1HG1 ILE 13 1HG1 ILE 13 2.003 -3.509 2.609
111 2HG1 ILE 13 2HG1 ILE 13 1.295 -2.008 2.035
112 1HG2 ILE 13 1HG2 ILE 13 1.950 -5.013 0.489
113 2HG2 ILE 13 2HG2 ILE 13 1.080 -5.685 1.871
114 3HG2 ILE 13 3HG2 ILE 13 0.356 -5.733 0.261
115 1HD1 ILE 13 1HD1 ILE 13 -0.064 -3.870 3.970
116 2HD1 ILE 13 2HD1 ILE 13 0.910 -2.477 4.444
117 3HD1 ILE 13 3HD1 ILE 13 -0.571 -2.243 3.516
118 H THR 14 H THR 14 -2.243 -3.448 -0.874
119 HA THR 14 HA THR 14 -3.348 -0.838 -0.075
120 HB THR 14 HB THR 14 -3.366 -0.746 -2.483
121 HG1 THR 14 HG1 THR 14 -5.984 -1.205 -1.501
122 1HG2 THR 14 1HG2 THR 14 -3.854 -3.504 -2.620
123 2HG2 THR 14 2HG2 THR 14 -5.326 -2.753 -3.237
124 3HG2 THR 14 3HG2 THR 14 -3.766 -2.369 -3.969
125 H LEU 15 H LEU 15 -5.373 -0.684 0.829
126 HA LEU 15 HA LEU 15 -6.567 -3.136 1.957
127 1HB LEU 15 1HB LEU 15 -5.381 -1.127 3.360
128 2HB LEU 15 2HB LEU 15 -7.037 -0.558 3.341
129 HG LEU 15 HG LEU 15 -7.074 -3.350 4.092
130 1HD1 LEU 15 1HD1 LEU 15 -4.757 -3.089 4.791
131 2HD1 LEU 15 2HD1 LEU 15 -5.205 -1.708 5.792
132 3HD1 LEU 15 3HD1 LEU 15 -5.822 -3.315 6.177
133 1HD2 LEU 15 1HD2 LEU 15 -8.733 -1.564 4.681
134 2HD2 LEU 15 2HD2 LEU 15 -8.248 -2.605 6.018
135 3HD2 LEU 15 3HD2 LEU 15 -7.580 -0.979 5.880
136 H GLU 16 H GLU 16 -8.644 -3.582 1.609
137 HA GLU 16 HA GLU 16 -10.475 -1.598 0.405
138 1HB GLU 16 1HB GLU 16 -9.730 -4.332 -0.555
139 2HB GLU 16 2HB GLU 16 -11.391 -3.808 -0.789
140 1HG GLU 16 1HG GLU 16 -10.389 -1.720 -1.892
141 2HG GLU 16 2HG GLU 16 -8.873 -2.618 -1.931
142 H VAL 17 H VAL 17 -12.623 -1.624 0.946
143 HA VAL 17 HA VAL 17 -13.712 -3.605 2.814
144 HB VAL 17 HB VAL 17 -14.896 -1.735 4.155
145 1HG1 VAL 17 1HG1 VAL 17 -11.960 -2.236 4.552
146 2HG1 VAL 17 2HG1 VAL 17 -13.053 -1.578 5.770
147 3HG1 VAL 17 3HG1 VAL 17 -13.302 -3.211 5.150
148 1HG2 VAL 17 1HG2 VAL 17 -14.243 0.283 2.872
149 2HG2 VAL 17 2HG2 VAL 17 -13.701 0.380 4.548
150 3HG2 VAL 17 3HG2 VAL 17 -12.549 -0.013 3.272
No H/Q in entry = 150
Start of MODEL 27
1 H1 MET 1 H1 MET 1 -14.093 0.395 -1.886
2 H2 MET 1 H2 MET 1 -13.964 0.119 -0.222
3 H3 MET 1 H3 MET 1 -15.067 1.262 -0.808
4 HA MET 1 HA MET 1 -13.306 2.663 -1.589
5 1HB MET 1 1HB MET 1 -14.081 2.254 1.019
6 2HB MET 1 2HB MET 1 -12.334 2.138 1.158
7 1HG MET 1 1HG MET 1 -12.003 4.341 0.661
8 2HG MET 1 2HG MET 1 -13.469 4.463 -0.313
9 1HE MET 1 1HE MET 1 -11.847 4.279 3.060
10 2HE MET 1 2HE MET 1 -12.076 6.019 2.884
11 3HE MET 1 3HE MET 1 -12.937 5.139 4.149
12 H GLN 2 H GLN 2 -11.187 3.119 -2.076
13 HA GLN 2 HA GLN 2 -9.094 1.091 -1.676
14 1HB GLN 2 1HB GLN 2 -10.011 2.279 -4.265
15 2HB GLN 2 2HB GLN 2 -8.281 2.051 -4.053
16 1HG GLN 2 1HG GLN 2 -8.468 -0.263 -3.920
17 2HG GLN 2 2HG GLN 2 -10.192 -0.198 -3.553
18 2HE2 GLN 2 2HE2 GLN 2 -7.768 -0.102 -6.095
19 1HE2 GLN 2 1HE2 GLN 2 -8.879 -0.245 -7.412
20 H ILE 3 H ILE 3 -7.269 1.785 -0.852
21 HA ILE 3 HA ILE 3 -6.223 4.466 -1.136
22 HB ILE 3 HB ILE 3 -5.750 4.686 1.421
23 1HG1 ILE 3 1HG1 ILE 3 -8.375 3.668 2.277
24 2HG1 ILE 3 2HG1 ILE 3 -7.402 2.355 1.638
25 1HG2 ILE 3 1HG2 ILE 3 -7.170 6.143 -0.048
26 2HG2 ILE 3 2HG2 ILE 3 -8.576 5.261 0.551
27 3HG2 ILE 3 3HG2 ILE 3 -7.571 6.183 1.669
28 1HD1 ILE 3 1HD1 ILE 3 -6.130 4.160 3.618
29 2HD1 ILE 3 2HD1 ILE 3 -7.366 3.035 4.184
30 3HD1 ILE 3 3HD1 ILE 3 -5.927 2.426 3.364
31 H PHE 4 H PHE 4 -4.244 4.337 -1.688
32 HA PHE 4 HA PHE 4 -2.658 1.910 -1.411
33 1HB PHE 4 1HB PHE 4 -2.700 4.284 -3.173
34 2HB PHE 4 2HB PHE 4 -1.099 3.664 -2.842
35 HD1 PHE 4 HD1 PHE 4 -4.536 2.743 -4.429
36 HD2 PHE 4 HD2 PHE 4 -0.169 1.698 -4.003
37 HE1 PHE 4 HE1 PHE 4 -4.739 1.081 -6.400
38 HE2 PHE 4 HE2 PHE 4 -0.387 0.028 -5.971
39 HZ PHE 4 HZ PHE 4 -2.664 -0.275 -7.179
40 H VAL 5 H VAL 5 -0.643 1.648 -0.529
41 HA VAL 5 HA VAL 5 0.677 3.777 0.982
42 HB VAL 5 HB VAL 5 1.197 2.129 2.922
43 1HG1 VAL 5 1HG1 VAL 5 -0.151 4.178 3.091
44 2HG1 VAL 5 2HG1 VAL 5 -1.600 3.220 2.787
45 3HG1 VAL 5 3HG1 VAL 5 -0.634 2.923 4.233
46 1HG2 VAL 5 1HG2 VAL 5 0.044 0.083 1.874
47 2HG2 VAL 5 2HG2 VAL 5 -0.318 0.416 3.569
48 3HG2 VAL 5 3HG2 VAL 5 -1.482 0.849 2.317
49 H LYS 6 H LYS 6 2.823 3.846 0.832
50 HA LYS 6 HA LYS 6 4.324 1.590 -0.345
51 1HB LYS 6 1HB LYS 6 3.750 3.915 -1.669
52 2HB LYS 6 2HB LYS 6 5.308 4.315 -0.966
53 1HG LYS 6 1HG LYS 6 6.425 2.653 -2.169
54 2HG LYS 6 2HG LYS 6 4.940 1.770 -2.518
55 1HD LYS 6 1HD LYS 6 4.329 3.185 -4.235
56 2HD LYS 6 2HD LYS 6 5.248 4.549 -3.597
57 1HE LYS 6 1HE LYS 6 7.295 3.655 -4.368
58 2HE LYS 6 2HE LYS 6 6.574 2.078 -4.688
59 1HZ LYS 6 1HZ LYS 6 5.893 4.577 -6.142
60 2HZ LYS 6 2HZ LYS 6 6.946 3.382 -6.715
61 3HZ LYS 6 3HZ LYS 6 5.309 3.027 -6.484
62 H THR 7 H THR 7 6.412 1.191 0.288
63 HA THR 7 HA THR 7 7.520 2.575 2.667
64 HB THR 7 HB THR 7 8.718 0.322 3.103
65 HG1 THR 7 HG1 THR 7 8.160 -1.335 1.938
66 1HG2 THR 7 1HG2 THR 7 5.833 0.880 3.658
67 2HG2 THR 7 2HG2 THR 7 6.537 -0.656 4.164
68 3HG2 THR 7 3HG2 THR 7 7.208 0.861 4.764
69 H LEU 8 H LEU 8 9.720 2.987 2.810
70 HA LEU 8 HA LEU 8 11.213 3.515 0.420
71 1HB LEU 8 1HB LEU 8 11.534 3.995 3.322
72 2HB LEU 8 2HB LEU 8 13.029 3.913 2.417
73 HG LEU 8 HG LEU 8 11.278 5.634 0.934
74 1HD1 LEU 8 1HD1 LEU 8 9.978 5.909 3.007
75 2HD1 LEU 8 2HD1 LEU 8 11.430 6.497 3.816
76 3HD1 LEU 8 3HD1 LEU 8 10.743 7.405 2.470
77 1HD2 LEU 8 1HD2 LEU 8 13.739 5.762 1.007
78 2HD2 LEU 8 2HD2 LEU 8 12.963 7.318 1.300
79 3HD2 LEU 8 3HD2 LEU 8 13.638 6.401 2.648
80 H ASP 9 H ASP 9 11.135 0.691 2.455
81 HA ASP 9 HA ASP 9 13.750 -0.427 2.042
82 1HB ASP 9 1HB ASP 9 11.255 -1.275 3.363
83 2HB ASP 9 2HB ASP 9 12.208 -2.598 2.701
84 H GLY 10 H GLY 10 10.634 -0.828 0.322
85 1HA GLY 10 2HA GLY 10 11.902 -2.510 -1.776
86 2HA GLY 10 1HA GLY 10 10.805 -1.192 -2.145
87 H LYS 11 H LYS 11 8.676 -1.513 -0.499
88 HA LYS 11 HA LYS 11 7.397 -4.011 -1.391
89 1HB LYS 11 1HB LYS 11 7.828 -3.197 1.420
90 2HB LYS 11 2HB LYS 11 6.170 -3.628 1.053
91 1HG LYS 11 1HG LYS 11 6.662 -5.775 1.272
92 2HG LYS 11 2HG LYS 11 7.780 -5.671 -0.078
93 1HD LYS 11 1HD LYS 11 9.487 -6.097 1.303
94 2HD LYS 11 2HD LYS 11 9.162 -4.610 2.183
95 1HE LYS 11 1HE LYS 11 9.011 -6.110 3.898
96 2HE LYS 11 2HE LYS 11 7.331 -6.139 3.364
97 1HZ LYS 11 1HZ LYS 11 7.954 -8.089 1.962
98 2HZ LYS 11 2HZ LYS 11 9.459 -8.109 2.732
99 3HZ LYS 11 3HZ LYS 11 8.048 -8.369 3.627
100 H THR 12 H THR 12 5.250 -3.903 -1.947
101 HA THR 12 HA THR 12 3.692 -1.432 -1.598
102 HB THR 12 HB THR 12 2.823 -1.750 -4.029
103 HG1 THR 12 HG1 THR 12 5.355 -3.039 -4.250
104 1HG2 THR 12 1HG2 THR 12 5.500 -0.544 -3.368
105 2HG2 THR 12 2HG2 THR 12 4.765 -0.383 -4.964
106 3HG2 THR 12 3HG2 THR 12 3.943 0.265 -3.544
107 H ILE 13 H ILE 13 1.677 -1.753 -0.954
108 HA ILE 13 HA ILE 13 0.056 -4.076 -1.594
109 HB ILE 13 HB ILE 13 -0.631 -4.464 0.869
110 1HG1 ILE 13 1HG1 ILE 13 2.041 -4.159 2.046
111 2HG1 ILE 13 2HG1 ILE 13 1.469 -2.595 1.488
112 1HG2 ILE 13 1HG2 ILE 13 1.984 -5.518 -0.179
113 2HG2 ILE 13 2HG2 ILE 13 1.081 -6.221 1.164
114 3HG2 ILE 13 3HG2 ILE 13 0.368 -6.172 -0.449
115 1HD1 ILE 13 1HD1 ILE 13 -0.105 -4.396 3.311
116 2HD1 ILE 13 2HD1 ILE 13 0.962 -3.107 3.870
117 3HD1 ILE 13 3HD1 ILE 13 -0.456 -2.717 2.897
118 H THR 14 H THR 14 -2.122 -3.774 -1.569
119 HA THR 14 HA THR 14 -3.152 -1.049 -1.237
120 HB THR 14 HB THR 14 -5.327 -2.053 -2.172
121 HG1 THR 14 HG1 THR 14 -5.273 -4.047 -3.048
122 1HG2 THR 14 1HG2 THR 14 -3.420 -0.798 -3.461
123 2HG2 THR 14 2HG2 THR 14 -3.238 -2.368 -4.247
124 3HG2 THR 14 3HG2 THR 14 -4.790 -1.528 -4.296
125 H LEU 15 H LEU 15 -4.808 -0.390 0.083
126 HA LEU 15 HA LEU 15 -5.701 -2.195 2.231
127 1HB LEU 15 1HB LEU 15 -4.378 0.299 2.433
128 2HB LEU 15 2HB LEU 15 -6.040 0.626 2.874
129 HG LEU 15 HG LEU 15 -5.159 -1.764 4.270
130 1HD1 LEU 15 1HD1 LEU 15 -2.896 -0.728 3.926
131 2HD1 LEU 15 2HD1 LEU 15 -3.446 0.616 4.926
132 3HD1 LEU 15 3HD1 LEU 15 -3.364 -1.011 5.603
133 1HD2 LEU 15 1HD2 LEU 15 -6.997 -0.217 4.944
134 2HD2 LEU 15 2HD2 LEU 15 -5.867 -0.610 6.239
135 3HD2 LEU 15 3HD2 LEU 15 -5.768 0.952 5.428
136 H GLU 16 H GLU 16 -7.596 -2.978 1.749
137 HA GLU 16 HA GLU 16 -9.762 -1.306 0.636
138 1HB GLU 16 1HB GLU 16 -8.686 -3.938 -0.251
139 2HB GLU 16 2HB GLU 16 -10.430 -3.740 -0.324
140 1HG GLU 16 1HG GLU 16 -9.815 -1.516 -1.579
141 2HG GLU 16 2HG GLU 16 -8.285 -2.341 -1.865
142 H VAL 17 H VAL 17 -11.860 -1.599 1.337
143 HA VAL 17 HA VAL 17 -12.345 -3.345 3.658
144 HB VAL 17 HB VAL 17 -12.158 -0.887 4.210
145 1HG1 VAL 17 1HG1 VAL 17 -13.286 0.208 2.349
146 2HG1 VAL 17 2HG1 VAL 17 -14.835 -0.442 2.893
147 3HG1 VAL 17 3HG1 VAL 17 -13.957 0.709 3.901
148 1HG2 VAL 17 1HG2 VAL 17 -13.258 -2.409 5.753
149 2HG2 VAL 17 2HG2 VAL 17 -13.949 -0.789 5.836
150 3HG2 VAL 17 3HG2 VAL 17 -14.812 -2.075 4.990
No H/Q in entry = 150
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