Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
537730 | 2rrs RC | 11439 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 1.763 0.836 -1.838
3 HB VAL 1 HB VAL 1 3.940 -0.693 -0.404
4 HG11 VAL 1 1HG1 VAL 1 3.898 0.887 -2.962
5 HG12 VAL 1 2HG1 VAL 1 5.389 0.524 -2.091
6 HG13 VAL 1 3HG1 VAL 1 4.391 -0.788 -2.719
7 HG21 VAL 1 3HG2 VAL 1 3.358 2.255 -0.605
8 HG22 VAL 1 1HG2 VAL 1 3.493 1.271 0.852
9 HG23 VAL 1 2HG2 VAL 1 4.926 1.609 -0.119
10 H PHE 2 H PHE 2 2.238 -2.383 -0.395
11 HA PHE 2 HA PHE 2 2.549 -3.822 -2.758
12 HB2 PHE 2 2HB PHE 2 1.744 -4.479 0.024
13 HB3 PHE 2 3HB PHE 2 1.364 -5.672 -1.215
14 HD1 PHE 2 HD1 PHE 2 4.249 -3.478 -0.312
15 HD2 PHE 2 HD2 PHE 2 2.900 -7.346 -1.464
16 HE1 PHE 2 HE1 PHE 2 6.562 -4.312 -0.208
17 HE2 PHE 2 HE2 PHE 2 5.210 -8.187 -1.361
18 HZ PHE 2 HZ PHE 2 7.044 -6.669 -0.731
19 H ALA 3 H ALA 3 -0.392 -2.941 -1.003
20 HA ALA 3 HA ALA 3 -2.251 -4.406 -2.456
21 HB1 ALA 3 1HB ALA 3 -3.558 -3.448 -0.943
22 HB2 ALA 3 2HB ALA 3 -2.301 -2.272 -0.557
23 HB3 ALA 3 3HB ALA 3 -3.457 -1.935 -1.845
24 H SER 4 H SER 4 -0.977 -1.151 -3.087
25 HA SER 4 HA SER 4 -2.550 -0.642 -5.373
26 HB2 SER 4 2HB SER 4 0.194 0.498 -4.820
27 HB3 SER 4 3HB SER 4 -1.100 1.226 -5.771
28 HG SER 4 HG SER 4 -0.930 2.092 -3.634
29 H LEU 5 H LEU 5 0.679 -2.028 -4.967
30 HA LEU 5 HA LEU 5 1.170 -2.285 -7.771
31 HB2 LEU 5 2HB LEU 5 2.522 -3.057 -5.264
32 HB3 LEU 5 3HB LEU 5 2.883 -4.051 -6.674
33 HG LEU 5 HG LEU 5 3.135 -1.368 -7.498
34 HD11 LEU 5 1HD1 LEU 5 4.269 -0.219 -5.923
35 HD12 LEU 5 2HD1 LEU 5 5.018 -1.666 -5.247
36 HD13 LEU 5 3HD1 LEU 5 3.355 -1.255 -4.826
37 HD21 LEU 5 3HD2 LEU 5 4.931 -3.703 -7.042
38 HD22 LEU 5 1HD2 LEU 5 5.641 -2.132 -7.414
39 HD23 LEU 5 2HD2 LEU 5 4.511 -2.879 -8.544
40 HA PRO 6 HA PRO 6 -0.761 -6.105 -8.736
41 HB2 PRO 6 2HB PRO 6 1.076 -7.305 -10.335
42 HB3 PRO 6 3HB PRO 6 0.119 -5.910 -10.849
43 HG2 PRO 6 2HG PRO 6 2.932 -6.006 -9.829
44 HG3 PRO 6 3HG PRO 6 2.264 -5.076 -11.183
45 HD2 PRO 6 2HD PRO 6 2.741 -3.976 -8.755
46 HD3 PRO 6 3HD PRO 6 1.413 -3.438 -9.803
47 H GLY 7 H GLY 7 2.277 -6.105 -7.104
48 HA2 GLY 7 2HA GLY 7 2.859 -8.789 -6.797
49 HA3 GLY 7 3HA GLY 7 3.178 -7.565 -5.577
50 H ILE 8 H ILE 8 2.654 -10.021 -4.675
51 HA ILE 8 HA ILE 8 -0.001 -10.765 -4.283
52 HB ILE 8 HB ILE 8 0.751 -12.084 -2.405
53 HG12 ILE 8 2HG1 ILE 8 3.321 -10.497 -2.587
54 HG13 ILE 8 3HG1 ILE 8 2.128 -10.378 -1.298
55 HG21 ILE 8 1HG2 ILE 8 1.333 -12.807 -4.700
56 HG22 ILE 8 2HG2 ILE 8 2.907 -12.036 -4.510
57 HG23 ILE 8 3HG2 ILE 8 2.462 -13.396 -3.480
58 HD11 ILE 8 3HD1 ILE 8 2.592 -12.934 -1.042
59 HD12 ILE 8 1HD1 ILE 8 4.096 -12.533 -1.870
60 HD13 ILE 8 2HD1 ILE 8 3.692 -11.746 -0.344
61 H ILE 9 H ILE 9 -1.485 -10.404 -2.633
62 HA ILE 9 HA ILE 9 -1.168 -7.839 -1.270
63 HB ILE 9 HB ILE 9 -3.568 -7.975 -0.815
64 HG12 ILE 9 2HG1 ILE 9 -4.564 -10.000 -2.374
65 HG13 ILE 9 3HG1 ILE 9 -3.140 -10.755 -1.666
66 HG21 ILE 9 1HG2 ILE 9 -4.338 -7.617 -3.036
67 HG22 ILE 9 2HG2 ILE 9 -2.662 -7.074 -2.974
68 HG23 ILE 9 3HG2 ILE 9 -3.058 -8.627 -3.709
69 HD11 ILE 9 3HD1 ILE 9 -5.037 -9.283 0.094
70 HD12 ILE 9 1HD1 ILE 9 -5.449 -10.900 -0.475
71 HD13 ILE 9 2HD1 ILE 9 -3.979 -10.644 0.464
72 H PHE 10 H PHE 10 0.108 -10.433 -0.423
73 HA PHE 10 HA PHE 10 -1.120 -11.456 1.870
74 HB2 PHE 10 2HB PHE 10 0.797 -12.529 0.748
75 HB3 PHE 10 3HB PHE 10 1.841 -11.221 1.294
76 HD1 PHE 10 HD1 PHE 10 2.269 -10.935 3.733
77 HD2 PHE 10 HD2 PHE 10 0.264 -14.341 2.153
78 HE1 PHE 10 HE1 PHE 10 2.717 -12.162 5.818
79 HE2 PHE 10 HE2 PHE 10 0.708 -15.572 4.236
80 HZ PHE 10 HZ PHE 10 1.935 -14.483 6.072
81 H THR 11 H THR 11 1.295 -8.868 1.548
82 HA THR 11 HA THR 11 1.621 -8.258 4.237
83 HB THR 11 HB THR 11 2.075 -5.867 3.351
84 HG1 THR 11 HG1 THR 11 0.949 -6.036 1.391
85 HG21 THR 11 3HG2 THR 11 3.673 -7.953 3.694
86 HG22 THR 11 1HG2 THR 11 4.248 -6.465 2.942
87 HG23 THR 11 2HG2 THR 11 3.794 -7.843 1.939
88 H ARG 12 H ARG 12 -0.802 -7.077 1.941
89 HA ARG 12 HA ARG 12 -2.003 -5.139 3.539
90 HB2 ARG 12 2HB ARG 12 -2.419 -6.003 1.028
91 HB3 ARG 12 3HB ARG 12 -3.779 -6.784 1.824
92 HG2 ARG 12 2HG ARG 12 -4.053 -4.321 2.827
93 HG3 ARG 12 3HG ARG 12 -3.275 -3.926 1.293
94 HD2 ARG 12 2HD ARG 12 -5.004 -5.296 0.139
95 HD3 ARG 12 3HD ARG 12 -5.814 -5.501 1.692
96 HE ARG 12 HE ARG 12 -5.447 -2.764 1.236
97 HH11 ARG 12 1HH1 ARG 12 -7.258 -5.452 -0.037
98 HH12 ARG 12 2HH1 ARG 12 -8.575 -4.471 -0.590
99 HH21 ARG 12 1HH2 ARG 12 -7.175 -1.462 0.513
100 HH22 ARG 12 2HH2 ARG 12 -8.526 -2.202 -0.277
101 H SER 13 H SER 13 -2.682 -8.611 3.293
102 HA SER 13 HA SER 13 -4.899 -8.701 4.989
103 HB2 SER 13 2HB SER 13 -3.855 -10.550 3.486
104 HB3 SER 13 3HB SER 13 -2.882 -10.929 4.907
105 HG SER 13 HG SER 13 -4.727 -12.170 4.990
106 H GLN 14 H GLN 14 -1.444 -8.867 5.706
107 HA GLN 14 HA GLN 14 -1.693 -9.470 8.451
108 HB2 GLN 14 2HB GLN 14 0.409 -9.805 7.312
109 HB3 GLN 14 3HB GLN 14 0.516 -8.094 6.918
110 HG2 GLN 14 2HG GLN 14 0.920 -7.501 9.165
111 HG3 GLN 14 3HG GLN 14 0.469 -9.104 9.744
112 HE21 GLN 14 1HE2 GLN 14 2.250 -9.919 10.610
113 HE22 GLN 14 2HE2 GLN 14 3.793 -10.012 9.839
114 H LYS 15 H LYS 15 -1.539 -6.419 6.682
115 HA LYS 15 HA LYS 15 -1.259 -4.652 8.803
116 HB2 LYS 15 2HB LYS 15 -1.172 -4.030 6.400
117 HB3 LYS 15 3HB LYS 15 -2.917 -4.231 6.309
118 HG2 LYS 15 2HG LYS 15 -3.049 -2.479 8.153
119 HG3 LYS 15 3HG LYS 15 -1.352 -2.150 7.797
120 HD2 LYS 15 2HD LYS 15 -1.952 -1.699 5.453
121 HD3 LYS 15 3HD LYS 15 -3.650 -1.984 5.845
122 HE2 LYS 15 2HE LYS 15 -3.227 0.387 5.823
123 HE3 LYS 15 3HE LYS 15 -3.540 -0.130 7.479
124 HZ1 LYS 15 3HZ LYS 15 -1.336 1.258 6.532
125 HZ2 LYS 15 1HZ LYS 15 -0.776 -0.287 6.931
126 HZ3 LYS 15 2HZ LYS 15 -1.575 0.648 8.091
127 H GLU 16 H GLU 16 -4.168 -6.194 7.525
128 HA GLU 16 HA GLU 16 -5.857 -4.824 9.450
129 HB2 GLU 16 2HB GLU 16 -6.912 -5.092 7.369
130 HB3 GLU 16 3HB GLU 16 -6.370 -6.756 7.207
131 HG2 GLU 16 2HG GLU 16 -8.755 -6.633 7.662
132 HG3 GLU 16 3HG GLU 16 -7.893 -7.449 8.964
133 H GLY 17 H GLY 17 -4.234 -7.863 9.075
134 HA2 GLY 17 2HA GLY 17 -4.036 -8.788 11.517
135 HA3 GLY 17 3HA GLY 17 -5.756 -9.059 11.277
136 H LEU 18 H LEU 18 -6.413 -10.861 10.250
137 HA LEU 18 HA LEU 18 -4.318 -12.564 9.068
138 HB2 LEU 18 2HB LEU 18 -5.587 -13.228 11.258
139 HB3 LEU 18 3HB LEU 18 -6.873 -13.675 10.140
140 HG LEU 18 HG LEU 18 -4.077 -14.779 9.959
141 HD11 LEU 18 1HD1 LEU 18 -4.596 -16.516 11.342
142 HD12 LEU 18 2HD1 LEU 18 -6.330 -16.375 11.056
143 HD13 LEU 18 3HD1 LEU 18 -5.517 -15.230 12.122
144 HD21 LEU 18 3HD2 LEU 18 -5.277 -16.563 8.686
145 HD22 LEU 18 1HD2 LEU 18 -5.280 -14.981 7.906
146 HD23 LEU 18 2HD2 LEU 18 -6.723 -15.554 8.743
Start of MODEL 2
1 H1 VAL 1 H VAL 1 -1.355 0.218 0.634
2 HA VAL 1 HA VAL 1 -0.819 1.067 -1.955
3 HB VAL 1 HB VAL 1 1.259 0.381 0.127
4 HG11 VAL 1 1HG1 VAL 1 2.476 2.280 -1.004
5 HG12 VAL 1 2HG1 VAL 1 2.316 0.800 -1.954
6 HG13 VAL 1 3HG1 VAL 1 1.269 2.181 -2.286
7 HG21 VAL 1 3HG2 VAL 1 0.395 1.986 1.398
8 HG22 VAL 1 1HG2 VAL 1 0.726 3.143 0.108
9 HG23 VAL 1 2HG2 VAL 1 -0.838 2.333 0.186
10 H PHE 2 H PHE 2 0.222 -1.890 -0.300
11 HA PHE 2 HA PHE 2 1.867 -2.872 -2.361
12 HB2 PHE 2 2HB PHE 2 1.448 -3.653 0.157
13 HB3 PHE 2 3HB PHE 2 0.380 -4.799 -0.646
14 HD1 PHE 2 HD1 PHE 2 3.851 -3.463 -0.911
15 HD2 PHE 2 HD2 PHE 2 1.254 -6.810 -1.329
16 HE1 PHE 2 HE1 PHE 2 5.785 -4.895 -1.425
17 HE2 PHE 2 HE2 PHE 2 3.184 -8.247 -1.842
18 HZ PHE 2 HZ PHE 2 5.453 -7.291 -1.890
19 H ALA 3 H ALA 3 -1.576 -3.272 -1.692
20 HA ALA 3 HA ALA 3 -2.196 -5.250 -3.538
21 HB1 ALA 3 1HB ALA 3 -4.038 -4.847 -2.308
22 HB2 ALA 3 2HB ALA 3 -3.684 -3.127 -2.146
23 HB3 ALA 3 3HB ALA 3 -4.431 -3.738 -3.622
24 H SER 4 H SER 4 -1.973 -1.742 -3.996
25 HA SER 4 HA SER 4 -2.871 -1.658 -6.651
26 HB2 SER 4 2HB SER 4 -1.199 0.146 -4.942
27 HB3 SER 4 3HB SER 4 -1.319 0.472 -6.671
28 HG SER 4 HG SER 4 -3.082 1.466 -6.073
29 H LEU 5 H LEU 5 0.391 -2.022 -5.312
30 HA LEU 5 HA LEU 5 1.878 -1.907 -7.638
31 HB2 LEU 5 2HB LEU 5 2.217 -3.359 -5.052
32 HB3 LEU 5 3HB LEU 5 3.347 -3.661 -6.370
33 HG LEU 5 HG LEU 5 2.820 -0.954 -5.146
34 HD11 LEU 5 1HD1 LEU 5 4.707 -3.130 -4.462
35 HD12 LEU 5 2HD1 LEU 5 3.962 -1.906 -3.434
36 HD13 LEU 5 3HD1 LEU 5 5.334 -1.481 -4.457
37 HD21 LEU 5 3HD2 LEU 5 4.911 -1.911 -7.099
38 HD22 LEU 5 1HD2 LEU 5 4.841 -0.305 -6.374
39 HD23 LEU 5 2HD2 LEU 5 3.557 -0.839 -7.460
40 HA PRO 6 HA PRO 6 0.998 -5.483 -10.024
41 HB2 PRO 6 2HB PRO 6 3.454 -6.170 -10.955
42 HB3 PRO 6 3HB PRO 6 2.574 -4.748 -11.525
43 HG2 PRO 6 2HG PRO 6 4.775 -4.929 -9.504
44 HG3 PRO 6 3HG PRO 6 4.543 -3.743 -10.802
45 HD2 PRO 6 2HD PRO 6 3.904 -3.223 -8.223
46 HD3 PRO 6 3HD PRO 6 3.008 -2.526 -9.588
47 H GLY 7 H GLY 7 3.168 -5.704 -7.351
48 HA2 GLY 7 2HA GLY 7 3.771 -8.465 -7.458
49 HA3 GLY 7 3HA GLY 7 3.836 -7.454 -6.022
50 H ILE 8 H ILE 8 3.005 -9.158 -4.754
51 HA ILE 8 HA ILE 8 0.312 -10.102 -5.345
52 HB ILE 8 HB ILE 8 0.607 -11.597 -3.427
53 HG12 ILE 8 2HG1 ILE 8 3.324 -10.288 -3.171
54 HG13 ILE 8 3HG1 ILE 8 1.991 -10.120 -2.034
55 HG21 ILE 8 1HG2 ILE 8 1.813 -11.783 -5.862
56 HG22 ILE 8 2HG2 ILE 8 3.171 -12.043 -4.769
57 HG23 ILE 8 3HG2 ILE 8 1.747 -13.078 -4.667
58 HD11 ILE 8 3HD1 ILE 8 3.151 -11.728 -0.960
59 HD12 ILE 8 1HD1 ILE 8 2.207 -12.772 -2.023
60 HD13 ILE 8 2HD1 ILE 8 3.870 -12.358 -2.442
61 H ILE 9 H ILE 9 -0.921 -10.445 -3.043
62 HA ILE 9 HA ILE 9 -1.041 -7.773 -1.805
63 HB ILE 9 HB ILE 9 -3.459 -8.095 -1.502
64 HG12 ILE 9 2HG1 ILE 9 -4.242 -10.016 -3.277
65 HG13 ILE 9 3HG1 ILE 9 -2.793 -10.750 -2.597
66 HG21 ILE 9 1HG2 ILE 9 -3.437 -8.495 -4.356
67 HG22 ILE 9 2HG2 ILE 9 -3.764 -7.031 -3.429
68 HG23 ILE 9 3HG2 ILE 9 -2.105 -7.454 -3.853
69 HD11 ILE 9 3HD1 ILE 9 -4.903 -9.612 -0.813
70 HD12 ILE 9 1HD1 ILE 9 -5.071 -11.226 -1.504
71 HD13 ILE 9 2HD1 ILE 9 -3.693 -10.849 -0.469
72 H PHE 10 H PHE 10 0.338 -10.328 -1.020
73 HA PHE 10 HA PHE 10 -0.970 -11.562 1.120
74 HB2 PHE 10 2HB PHE 10 1.185 -12.284 -0.043
75 HB3 PHE 10 3HB PHE 10 2.011 -11.120 0.987
76 HD1 PHE 10 HD2 PHE 10 -0.365 -13.981 1.228
77 HD2 PHE 10 HD1 PHE 10 2.852 -11.833 3.002
78 HE1 PHE 10 HE2 PHE 10 -0.230 -15.667 3.016
79 HE2 PHE 10 HE1 PHE 10 2.993 -13.516 4.792
80 HZ PHE 10 HZ PHE 10 1.450 -15.435 4.801
81 H THR 11 H THR 11 1.299 -8.825 1.114
82 HA THR 11 HA THR 11 1.402 -8.364 3.852
83 HB THR 11 HB THR 11 2.138 -6.122 3.355
84 HG1 THR 11 HG1 THR 11 1.167 -5.122 1.771
85 HG21 THR 11 3HG2 THR 11 3.247 -7.434 0.962
86 HG22 THR 11 1HG2 THR 11 3.379 -8.356 2.458
87 HG23 THR 11 2HG2 THR 11 4.070 -6.736 2.356
88 H ARG 12 H ARG 12 -0.942 -7.237 1.459
89 HA ARG 12 HA ARG 12 -2.357 -5.469 3.121
90 HB2 ARG 12 2HB ARG 12 -3.319 -7.082 0.752
91 HB3 ARG 12 3HB ARG 12 -4.212 -5.761 1.493
92 HG2 ARG 12 2HG ARG 12 -1.490 -5.501 0.232
93 HG3 ARG 12 3HG ARG 12 -3.017 -5.100 -0.557
94 HD2 ARG 12 2HD ARG 12 -2.430 -3.036 0.225
95 HD3 ARG 12 3HD ARG 12 -3.349 -3.629 1.607
96 HE ARG 12 HE ARG 12 -0.664 -4.345 1.949
97 HH11 ARG 12 1HH1 ARG 12 -2.673 -1.502 1.880
98 HH12 ARG 12 2HH1 ARG 12 -1.656 -0.599 2.954
99 HH21 ARG 12 1HH2 ARG 12 0.682 -3.166 3.364
100 HH22 ARG 12 2HH2 ARG 12 0.252 -1.546 3.797
101 H SER 13 H SER 13 -2.806 -8.921 2.456
102 HA SER 13 HA SER 13 -5.165 -9.252 3.954
103 HB2 SER 13 2HB SER 13 -4.175 -10.875 2.267
104 HB3 SER 13 3HB SER 13 -3.057 -11.375 3.536
105 HG SER 13 HG SER 13 -5.793 -11.820 3.289
106 H GLN 14 H GLN 14 -1.751 -9.551 4.827
107 HA GLN 14 HA GLN 14 -2.077 -10.574 7.406
108 HB2 GLN 14 2HB GLN 14 0.083 -10.395 6.149
109 HB3 GLN 14 3HB GLN 14 0.087 -8.671 6.499
110 HG2 GLN 14 2HG GLN 14 1.507 -9.694 8.079
111 HG3 GLN 14 3HG GLN 14 0.027 -9.261 8.933
112 HE21 GLN 14 1HE2 GLN 14 -0.470 -10.741 10.369
113 HE22 GLN 14 2HE2 GLN 14 -0.332 -12.451 10.166
114 H LYS 15 H LYS 15 -2.093 -7.248 6.224
115 HA LYS 15 HA LYS 15 -2.072 -5.895 8.653
116 HB2 LYS 15 2HB LYS 15 -3.159 -5.277 5.937
117 HB3 LYS 15 3HB LYS 15 -3.557 -4.207 7.275
118 HG2 LYS 15 2HG LYS 15 -0.958 -4.270 7.667
119 HG3 LYS 15 3HG LYS 15 -0.941 -4.710 5.958
120 HD2 LYS 15 2HD LYS 15 -2.024 -2.697 5.335
121 HD3 LYS 15 3HD LYS 15 -2.438 -2.319 7.009
122 HE2 LYS 15 2HE LYS 15 0.393 -2.512 5.998
123 HE3 LYS 15 3HE LYS 15 -0.522 -1.005 6.041
124 HZ1 LYS 15 3HZ LYS 15 0.375 -0.829 8.072
125 HZ2 LYS 15 1HZ LYS 15 0.703 -2.484 8.204
126 HZ3 LYS 15 2HZ LYS 15 -0.848 -1.900 8.540
127 H GLU 16 H GLU 16 -4.860 -7.073 6.783
128 HA GLU 16 HA GLU 16 -6.643 -6.423 8.996
129 HB2 GLU 16 2HB GLU 16 -7.588 -5.827 6.931
130 HB3 GLU 16 3HB GLU 16 -7.068 -7.318 6.160
131 HG2 GLU 16 2HG GLU 16 -9.473 -7.289 6.522
132 HG3 GLU 16 3HG GLU 16 -8.698 -8.578 7.441
133 H GLY 17 H GLY 17 -6.709 -7.856 10.603
134 HA2 GLY 17 2HA GLY 17 -7.634 -9.948 11.367
135 HA3 GLY 17 3HA GLY 17 -7.043 -10.696 9.891
136 H LEU 18 H LEU 18 -6.429 -12.084 11.995
137 HA LEU 18 HA LEU 18 -3.726 -11.283 12.832
138 HB2 LEU 18 2HB LEU 18 -5.825 -13.018 14.069
139 HB3 LEU 18 3HB LEU 18 -4.131 -13.222 14.510
140 HG LEU 18 HG LEU 18 -4.219 -10.686 15.043
141 HD11 LEU 18 1HD1 LEU 18 -6.351 -10.162 14.089
142 HD12 LEU 18 2HD1 LEU 18 -6.469 -9.986 15.839
143 HD13 LEU 18 3HD1 LEU 18 -7.143 -11.411 15.049
144 HD21 LEU 18 3HD2 LEU 18 -5.802 -11.838 17.131
145 HD22 LEU 18 1HD2 LEU 18 -4.080 -11.460 17.117
146 HD23 LEU 18 2HD2 LEU 18 -4.642 -13.029 16.540
Start of MODEL 3
1 H1 VAL 1 H VAL 1 0.851 0.389 0.158
2 HA VAL 1 HA VAL 1 0.568 0.868 -2.583
3 HB VAL 1 HB VAL 1 3.026 -0.220 -1.207
4 HG11 VAL 1 1HG1 VAL 1 2.468 0.917 -3.883
5 HG12 VAL 1 2HG1 VAL 1 3.973 1.403 -3.100
6 HG13 VAL 1 3HG1 VAL 1 3.640 -0.305 -3.391
7 HG21 VAL 1 3HG2 VAL 1 2.568 1.670 0.044
8 HG22 VAL 1 1HG2 VAL 1 3.596 2.318 -1.234
9 HG23 VAL 1 2HG2 VAL 1 1.847 2.525 -1.319
10 H PHE 2 H PHE 2 1.456 -2.106 -0.857
11 HA PHE 2 HA PHE 2 1.921 -3.717 -3.092
12 HB2 PHE 2 2HB PHE 2 1.343 -4.165 -0.228
13 HB3 PHE 2 3HB PHE 2 0.973 -5.515 -1.296
14 HD1 PHE 2 HD1 PHE 2 3.728 -3.009 -0.997
15 HD2 PHE 2 HD2 PHE 2 2.615 -7.101 -1.373
16 HE1 PHE 2 HE1 PHE 2 6.103 -3.651 -1.000
17 HE2 PHE 2 HE2 PHE 2 4.988 -7.749 -1.376
18 HZ PHE 2 HZ PHE 2 6.736 -6.024 -1.188
19 H ALA 3 H ALA 3 -1.064 -2.991 -1.353
20 HA ALA 3 HA ALA 3 -2.770 -4.830 -2.540
21 HB1 ALA 3 1HB ALA 3 -3.122 -2.974 -0.676
22 HB2 ALA 3 2HB ALA 3 -3.820 -2.101 -2.041
23 HB3 ALA 3 3HB ALA 3 -4.472 -3.671 -1.573
24 H SER 4 H SER 4 -2.012 -1.517 -3.604
25 HA SER 4 HA SER 4 -3.622 -1.588 -5.920
26 HB2 SER 4 2HB SER 4 -1.325 0.130 -5.026
27 HB3 SER 4 3HB SER 4 -1.989 0.305 -6.650
28 HG SER 4 HG SER 4 -4.096 0.433 -5.419
29 H LEU 5 H LEU 5 -0.224 -2.368 -5.354
30 HA LEU 5 HA LEU 5 0.398 -2.830 -8.097
31 HB2 LEU 5 2HB LEU 5 1.738 -3.249 -5.488
32 HB3 LEU 5 3HB LEU 5 2.307 -4.214 -6.848
33 HG LEU 5 HG LEU 5 2.461 -1.884 -8.041
34 HD11 LEU 5 1HD1 LEU 5 2.666 -1.121 -5.132
35 HD12 LEU 5 2HD1 LEU 5 1.402 -0.614 -6.252
36 HD13 LEU 5 3HD1 LEU 5 3.066 -0.087 -6.504
37 HD21 LEU 5 3HD2 LEU 5 4.277 -3.429 -6.379
38 HD22 LEU 5 1HD2 LEU 5 4.734 -1.729 -6.489
39 HD23 LEU 5 2HD2 LEU 5 4.540 -2.687 -7.958
40 HA PRO 6 HA PRO 6 -0.966 -6.949 -8.753
41 HB2 PRO 6 2HB PRO 6 1.077 -8.024 -10.181
42 HB3 PRO 6 3HB PRO 6 -0.035 -6.824 -10.850
43 HG2 PRO 6 2HG PRO 6 2.722 -6.444 -9.747
44 HG3 PRO 6 3HG PRO 6 1.991 -5.738 -11.201
45 HD2 PRO 6 2HD PRO 6 2.219 -4.372 -8.874
46 HD3 PRO 6 3HD PRO 6 0.874 -4.116 -10.004
47 H GLY 7 H GLY 7 1.980 -6.390 -7.048
48 HA2 GLY 7 2HA GLY 7 2.897 -8.933 -6.474
49 HA3 GLY 7 3HA GLY 7 3.007 -7.572 -5.367
50 H ILE 8 H ILE 8 2.780 -9.966 -4.233
51 HA ILE 8 HA ILE 8 0.162 -10.933 -3.835
52 HB ILE 8 HB ILE 8 1.049 -12.114 -1.894
53 HG12 ILE 8 2HG1 ILE 8 3.546 -10.465 -2.348
54 HG13 ILE 8 3HG1 ILE 8 2.445 -10.310 -0.984
55 HG21 ILE 8 1HG2 ILE 8 1.706 -12.559 -4.454
56 HG22 ILE 8 2HG2 ILE 8 3.317 -12.354 -3.770
57 HG23 ILE 8 3HG2 ILE 8 2.238 -13.592 -3.127
58 HD11 ILE 8 3HD1 ILE 8 4.468 -12.399 -1.566
59 HD12 ILE 8 1HD1 ILE 8 4.080 -11.585 -0.050
60 HD13 ILE 8 2HD1 ILE 8 3.022 -12.855 -0.667
61 H ILE 9 H ILE 9 -0.528 -11.058 -1.311
62 HA ILE 9 HA ILE 9 -0.706 -8.265 -0.384
63 HB ILE 9 HB ILE 9 -2.954 -9.148 0.640
64 HG12 ILE 9 2HG1 ILE 9 -4.080 -10.766 -0.839
65 HG13 ILE 9 3HG1 ILE 9 -2.594 -10.950 -1.765
66 HG21 ILE 9 1HG2 ILE 9 -3.531 -8.766 -2.148
67 HG22 ILE 9 2HG2 ILE 9 -3.795 -7.673 -0.790
68 HG23 ILE 9 3HG2 ILE 9 -2.246 -7.675 -1.632
69 HD11 ILE 9 3HD1 ILE 9 -2.951 -12.795 -0.208
70 HD12 ILE 9 1HD1 ILE 9 -1.482 -11.894 0.169
71 HD13 ILE 9 2HD1 ILE 9 -2.936 -11.657 1.139
72 H PHE 10 H PHE 10 1.052 -10.624 0.356
73 HA PHE 10 HA PHE 10 0.383 -11.678 2.834
74 HB2 PHE 10 2HB PHE 10 2.377 -12.244 1.319
75 HB3 PHE 10 3HB PHE 10 3.199 -10.898 2.101
76 HD1 PHE 10 HD1 PHE 10 1.766 -14.242 2.597
77 HD2 PHE 10 HD2 PHE 10 4.003 -11.068 4.342
78 HE1 PHE 10 HE1 PHE 10 2.430 -15.729 4.442
79 HE2 PHE 10 HE2 PHE 10 4.671 -12.550 6.189
80 HZ PHE 10 HZ PHE 10 3.885 -14.884 6.240
81 H THR 11 H THR 11 2.055 -8.651 2.064
82 HA THR 11 HA THR 11 2.700 -7.838 4.643
83 HB THR 11 HB THR 11 3.583 -6.635 2.754
84 HG1 THR 11 HG1 THR 11 3.548 -4.803 3.828
85 HG21 THR 11 3HG2 THR 11 2.236 -5.279 1.286
86 HG22 THR 11 1HG2 THR 11 0.781 -5.653 2.208
87 HG23 THR 11 2HG2 THR 11 1.592 -6.920 1.287
88 H ARG 12 H ARG 12 -0.307 -7.442 2.829
89 HA ARG 12 HA ARG 12 -1.606 -5.758 4.683
90 HB2 ARG 12 2HB ARG 12 -2.660 -7.650 2.583
91 HB3 ARG 12 3HB ARG 12 -3.709 -6.627 3.555
92 HG2 ARG 12 2HG ARG 12 -2.336 -4.668 2.707
93 HG3 ARG 12 3HG ARG 12 -1.653 -5.797 1.535
94 HD2 ARG 12 2HD ARG 12 -3.398 -4.975 0.312
95 HD3 ARG 12 3HD ARG 12 -4.196 -6.339 1.095
96 HE ARG 12 HE ARG 12 -4.483 -4.077 2.722
97 HH11 ARG 12 1HH1 ARG 12 -5.549 -5.296 -0.360
98 HH12 ARG 12 2HH1 ARG 12 -7.045 -4.423 -0.335
99 HH21 ARG 12 1HH2 ARG 12 -6.450 -2.922 2.767
100 HH22 ARG 12 2HH2 ARG 12 -7.556 -3.073 1.444
101 H SER 13 H SER 13 -1.492 -9.274 4.328
102 HA SER 13 HA SER 13 -3.419 -9.992 6.191
103 HB2 SER 13 2HB SER 13 -1.876 -11.423 4.581
104 HB3 SER 13 3HB SER 13 -0.899 -11.593 6.039
105 HG SER 13 HG SER 13 -2.440 -13.263 5.870
106 H GLN 14 H GLN 14 0.062 -9.466 6.708
107 HA GLN 14 HA GLN 14 0.067 -9.976 9.467
108 HB2 GLN 14 2HB GLN 14 2.036 -9.669 7.782
109 HB3 GLN 14 3HB GLN 14 1.921 -7.972 8.228
110 HG2 GLN 14 2HG GLN 14 2.400 -8.459 10.508
111 HG3 GLN 14 3HG GLN 14 2.272 -10.194 10.221
112 HE21 GLN 14 1HE2 GLN 14 3.786 -10.922 8.358
113 HE22 GLN 14 2HE2 GLN 14 5.413 -10.354 8.479
114 H LYS 15 H LYS 15 -0.449 -6.996 7.641
115 HA LYS 15 HA LYS 15 -0.454 -5.188 9.768
116 HB2 LYS 15 2HB LYS 15 -0.645 -4.871 7.144
117 HB3 LYS 15 3HB LYS 15 -2.365 -4.805 7.507
118 HG2 LYS 15 2HG LYS 15 -0.423 -3.088 9.000
119 HG3 LYS 15 3HG LYS 15 -1.023 -2.612 7.410
120 HD2 LYS 15 2HD LYS 15 -3.330 -2.793 8.249
121 HD3 LYS 15 3HD LYS 15 -2.703 -3.216 9.844
122 HE2 LYS 15 2HE LYS 15 -1.875 -1.086 10.223
123 HE3 LYS 15 3HE LYS 15 -1.812 -0.695 8.505
124 HZ1 LYS 15 3HZ LYS 15 -4.195 -0.538 8.455
125 HZ2 LYS 15 1HZ LYS 15 -3.609 0.460 9.689
126 HZ3 LYS 15 2HZ LYS 15 -4.315 -1.029 10.069
127 H GLU 16 H GLU 16 -3.180 -6.938 8.291
128 HA GLU 16 HA GLU 16 -4.650 -6.588 10.813
129 HB2 GLU 16 2HB GLU 16 -5.615 -6.064 8.015
130 HB3 GLU 16 3HB GLU 16 -6.743 -6.490 9.295
131 HG2 GLU 16 2HG GLU 16 -6.220 -4.547 10.533
132 HG3 GLU 16 3HG GLU 16 -4.819 -4.196 9.523
133 H GLY 17 H GLY 17 -5.332 -8.181 7.698
134 HA2 GLY 17 2HA GLY 17 -5.091 -10.570 7.406
135 HA3 GLY 17 3HA GLY 17 -5.384 -10.759 9.129
136 H LEU 18 H LEU 18 -6.739 -12.062 6.916
137 HA LEU 18 HA LEU 18 -9.468 -11.054 7.388
138 HB2 LEU 18 2HB LEU 18 -8.136 -12.031 4.915
139 HB3 LEU 18 3HB LEU 18 -9.847 -12.388 5.136
140 HG LEU 18 HG LEU 18 -9.437 -10.382 3.756
141 HD11 LEU 18 1HD1 LEU 18 -11.112 -10.566 6.104
142 HD12 LEU 18 2HD1 LEU 18 -11.480 -9.930 4.501
143 HD13 LEU 18 3HD1 LEU 18 -10.726 -8.891 5.710
144 HD21 LEU 18 3HD2 LEU 18 -8.429 -8.444 4.583
145 HD22 LEU 18 1HD2 LEU 18 -7.371 -9.744 5.133
146 HD23 LEU 18 2HD2 LEU 18 -8.511 -9.001 6.255
Start of MODEL 4
1 H1 VAL 1 H VAL 1 -0.507 0.455 -0.437
2 HA VAL 1 HA VAL 1 0.224 0.865 -3.112
3 HB VAL 1 HB VAL 1 2.067 0.109 -0.841
4 HG11 VAL 1 1HG1 VAL 1 3.554 0.112 -2.523
5 HG12 VAL 1 2HG1 VAL 1 2.469 0.977 -3.614
6 HG13 VAL 1 3HG1 VAL 1 3.414 1.866 -2.419
7 HG21 VAL 1 3HG2 VAL 1 2.290 2.780 -1.010
8 HG22 VAL 1 1HG2 VAL 1 0.594 2.594 -1.457
9 HG23 VAL 1 2HG2 VAL 1 1.173 1.970 0.088
10 H PHE 2 H PHE 2 0.744 -1.937 -0.986
11 HA PHE 2 HA PHE 2 2.162 -3.519 -2.802
12 HB2 PHE 2 2HB PHE 2 0.690 -3.959 -0.287
13 HB3 PHE 2 3HB PHE 2 0.817 -5.375 -1.325
14 HD1 PHE 2 HD1 PHE 2 2.853 -2.714 0.275
15 HD2 PHE 2 HD2 PHE 2 2.754 -6.655 -1.330
16 HE1 PHE 2 HE1 PHE 2 5.139 -3.103 1.099
17 HE2 PHE 2 HE2 PHE 2 5.038 -7.051 -0.508
18 HZ PHE 2 HZ PHE 2 6.234 -5.275 0.709
19 H ALA 3 H ALA 3 -1.316 -3.218 -2.233
20 HA ALA 3 HA ALA 3 -2.181 -5.275 -3.922
21 HB1 ALA 3 1HB ALA 3 -3.906 -2.904 -3.847
22 HB2 ALA 3 2HB ALA 3 -4.248 -4.575 -3.398
23 HB3 ALA 3 3HB ALA 3 -3.414 -3.511 -2.266
24 H SER 4 H SER 4 -1.762 -1.804 -4.600
25 HA SER 4 HA SER 4 -2.504 -1.955 -7.318
26 HB2 SER 4 2HB SER 4 -2.497 0.169 -6.116
27 HB3 SER 4 3HB SER 4 -0.750 0.063 -5.895
28 HG SER 4 HG SER 4 -0.585 0.991 -7.760
29 H LEU 5 H LEU 5 0.612 -2.203 -5.679
30 HA LEU 5 HA LEU 5 2.280 -2.164 -7.916
31 HB2 LEU 5 2HB LEU 5 2.493 -3.334 -5.178
32 HB3 LEU 5 3HB LEU 5 3.729 -3.707 -6.379
33 HG LEU 5 HG LEU 5 2.995 -0.923 -5.476
34 HD11 LEU 5 1HD1 LEU 5 5.057 -0.950 -4.215
35 HD12 LEU 5 2HD1 LEU 5 5.381 -2.607 -4.726
36 HD13 LEU 5 3HD1 LEU 5 4.008 -2.261 -3.674
37 HD21 LEU 5 3HD2 LEU 5 5.263 -1.960 -7.174
38 HD22 LEU 5 1HD2 LEU 5 5.070 -0.296 -6.623
39 HD23 LEU 5 2HD2 LEU 5 3.894 -0.998 -7.734
40 HA PRO 6 HA PRO 6 1.735 -5.998 -9.979
41 HB2 PRO 6 2HB PRO 6 4.280 -6.647 -10.667
42 HB3 PRO 6 3HB PRO 6 3.381 -5.334 -11.438
43 HG2 PRO 6 2HG PRO 6 5.436 -5.202 -9.264
44 HG3 PRO 6 3HG PRO 6 5.246 -4.164 -10.689
45 HD2 PRO 6 2HD PRO 6 4.400 -3.425 -8.226
46 HD3 PRO 6 3HD PRO 6 3.575 -2.914 -9.712
47 H GLY 7 H GLY 7 3.442 -5.828 -7.054
48 HA2 GLY 7 2HA GLY 7 4.388 -8.479 -6.810
49 HA3 GLY 7 3HA GLY 7 4.035 -7.389 -5.478
50 H ILE 8 H ILE 8 2.382 -7.883 -4.189
51 HA ILE 8 HA ILE 8 0.064 -9.290 -5.175
52 HB ILE 8 HB ILE 8 0.393 -11.002 -3.204
53 HG12 ILE 8 2HG1 ILE 8 2.735 -11.704 -2.965
54 HG13 ILE 8 3HG1 ILE 8 3.244 -10.380 -4.007
55 HG21 ILE 8 1HG2 ILE 8 0.284 -11.291 -5.791
56 HG22 ILE 8 2HG2 ILE 8 2.017 -11.580 -5.641
57 HG23 ILE 8 3HG2 ILE 8 0.873 -12.612 -4.783
58 HD11 ILE 8 3HD1 ILE 8 1.901 -10.082 -1.332
59 HD12 ILE 8 1HD1 ILE 8 3.624 -9.890 -1.651
60 HD13 ILE 8 2HD1 ILE 8 2.464 -8.771 -2.367
61 H ILE 9 H ILE 9 -1.376 -9.885 -3.159
62 HA ILE 9 HA ILE 9 -1.364 -7.513 -1.418
63 HB ILE 9 HB ILE 9 -3.759 -7.864 -1.114
64 HG12 ILE 9 2HG1 ILE 9 -4.621 -9.603 -3.022
65 HG13 ILE 9 3HG1 ILE 9 -3.137 -10.395 -2.502
66 HG21 ILE 9 1HG2 ILE 9 -4.087 -7.896 -3.886
67 HG22 ILE 9 2HG2 ILE 9 -3.884 -6.484 -2.850
68 HG23 ILE 9 3HG2 ILE 9 -2.478 -7.227 -3.613
69 HD11 ILE 9 3HD1 ILE 9 -3.999 -10.984 -0.523
70 HD12 ILE 9 1HD1 ILE 9 -4.869 -9.462 -0.329
71 HD13 ILE 9 2HD1 ILE 9 -5.544 -10.741 -1.339
72 H PHE 10 H PHE 10 -0.029 -10.255 -1.121
73 HA PHE 10 HA PHE 10 -1.255 -11.719 0.910
74 HB2 PHE 10 2HB PHE 10 0.965 -12.094 -0.523
75 HB3 PHE 10 3HB PHE 10 1.712 -11.469 0.943
76 HD1 PHE 10 HD1 PHE 10 -0.999 -13.887 0.073
77 HD2 PHE 10 HD2 PHE 10 2.466 -13.058 2.402
78 HE1 PHE 10 HE1 PHE 10 -1.158 -16.118 1.098
79 HE2 PHE 10 HE2 PHE 10 2.313 -15.288 3.430
80 HZ PHE 10 HZ PHE 10 0.499 -16.822 2.778
81 H THR 11 H THR 11 1.120 -9.085 1.151
82 HA THR 11 HA THR 11 1.312 -9.038 3.946
83 HB THR 11 HB THR 11 2.231 -6.797 3.721
84 HG1 THR 11 HG1 THR 11 0.932 -5.815 2.227
85 HG21 THR 11 3HG2 THR 11 4.129 -7.364 2.527
86 HG22 THR 11 1HG2 THR 11 3.218 -8.204 1.273
87 HG23 THR 11 2HG2 THR 11 3.435 -8.951 2.857
88 H ARG 12 H ARG 12 -0.857 -7.313 1.739
89 HA ARG 12 HA ARG 12 -2.096 -5.630 3.576
90 HB2 ARG 12 2HB ARG 12 -3.119 -6.921 1.051
91 HB3 ARG 12 3HB ARG 12 -4.073 -5.769 1.976
92 HG2 ARG 12 2HG ARG 12 -1.848 -4.332 1.718
93 HG3 ARG 12 3HG ARG 12 -1.693 -5.337 0.276
94 HD2 ARG 12 2HD ARG 12 -2.856 -3.336 -0.331
95 HD3 ARG 12 3HD ARG 12 -4.009 -4.669 -0.353
96 HE ARG 12 HE ARG 12 -5.184 -3.604 1.283
97 HH11 ARG 12 1HH1 ARG 12 -1.932 -2.362 1.263
98 HH12 ARG 12 2HH1 ARG 12 -2.252 -1.140 2.449
99 HH21 ARG 12 1HH2 ARG 12 -5.618 -1.999 2.845
100 HH22 ARG 12 2HH2 ARG 12 -4.349 -0.935 3.349
101 H SER 13 H SER 13 -2.808 -8.985 2.727
102 HA SER 13 HA SER 13 -5.191 -9.235 4.201
103 HB2 SER 13 2HB SER 13 -4.561 -10.878 2.513
104 HB3 SER 13 3HB SER 13 -3.145 -11.340 3.456
105 HG SER 13 HG SER 13 -4.577 -12.052 5.097
106 H GLN 14 H GLN 14 -1.809 -9.779 5.076
107 HA GLN 14 HA GLN 14 -2.251 -10.870 7.624
108 HB2 GLN 14 2HB GLN 14 0.057 -9.415 6.369
109 HB3 GLN 14 3HB GLN 14 0.106 -9.881 8.064
110 HG2 GLN 14 2HG GLN 14 -0.553 -11.914 5.983
111 HG3 GLN 14 3HG GLN 14 1.122 -11.437 6.255
112 HE21 GLN 14 1HE2 GLN 14 0.064 -14.023 6.671
113 HE22 GLN 14 2HE2 GLN 14 0.202 -14.388 8.354
114 H LYS 15 H LYS 15 -1.879 -7.526 6.541
115 HA LYS 15 HA LYS 15 -1.780 -6.281 9.037
116 HB2 LYS 15 2HB LYS 15 -1.508 -5.334 6.606
117 HB3 LYS 15 3HB LYS 15 -3.231 -5.008 6.747
118 HG2 LYS 15 2HG LYS 15 -1.441 -4.101 8.938
119 HG3 LYS 15 3HG LYS 15 -1.431 -3.212 7.413
120 HD2 LYS 15 2HD LYS 15 -4.019 -3.253 7.681
121 HD3 LYS 15 3HD LYS 15 -3.658 -3.588 9.376
122 HE2 LYS 15 2HE LYS 15 -2.408 -1.285 7.909
123 HE3 LYS 15 3HE LYS 15 -3.983 -1.145 8.687
124 HZ1 LYS 15 3HZ LYS 15 -1.523 -0.822 9.872
125 HZ2 LYS 15 1HZ LYS 15 -2.078 -2.316 10.439
126 HZ3 LYS 15 2HZ LYS 15 -3.018 -0.927 10.656
127 H GLU 16 H GLU 16 -4.582 -7.077 7.003
128 HA GLU 16 HA GLU 16 -6.592 -5.936 8.514
129 HB2 GLU 16 2HB GLU 16 -6.611 -7.319 6.255
130 HB3 GLU 16 3HB GLU 16 -7.065 -8.634 7.330
131 HG2 GLU 16 2HG GLU 16 -8.874 -7.037 8.195
132 HG3 GLU 16 3HG GLU 16 -8.540 -6.098 6.742
133 H GLY 17 H GLY 17 -5.418 -9.301 8.746
134 HA2 GLY 17 2HA GLY 17 -6.954 -9.883 11.072
135 HA3 GLY 17 3HA GLY 17 -5.636 -10.853 10.431
136 H LEU 18 H LEU 18 -4.443 -11.271 12.202
137 HA LEU 18 HA LEU 18 -3.711 -9.037 13.957
138 HB2 LEU 18 2HB LEU 18 -3.515 -12.020 14.318
139 HB3 LEU 18 3HB LEU 18 -2.870 -10.848 15.465
140 HG LEU 18 HG LEU 18 -5.784 -11.052 14.715
141 HD11 LEU 18 1HD1 LEU 18 -5.569 -11.858 17.317
142 HD12 LEU 18 2HD1 LEU 18 -4.157 -12.610 16.574
143 HD13 LEU 18 3HD1 LEU 18 -5.767 -12.928 15.928
144 HD21 LEU 18 3HD2 LEU 18 -5.378 -8.890 15.522
145 HD22 LEU 18 1HD2 LEU 18 -4.235 -9.463 16.737
146 HD23 LEU 18 2HD2 LEU 18 -5.958 -9.786 16.927
Start of MODEL 5
1 H1 VAL 1 H VAL 1 0.583 -0.032 0.823
2 HA VAL 1 HA VAL 1 0.698 1.117 -1.720
3 HB VAL 1 HB VAL 1 2.982 0.011 -0.081
4 HG11 VAL 1 1HG1 VAL 1 4.186 1.905 -1.405
5 HG12 VAL 1 2HG1 VAL 1 3.933 0.330 -2.160
6 HG13 VAL 1 3HG1 VAL 1 2.869 1.680 -2.555
7 HG21 VAL 1 3HG2 VAL 1 1.535 2.633 -0.080
8 HG22 VAL 1 1HG2 VAL 1 1.984 1.607 1.282
9 HG23 VAL 1 2HG2 VAL 1 3.220 2.534 0.431
10 H PHE 2 H PHE 2 1.752 -2.091 -0.619
11 HA PHE 2 HA PHE 2 2.884 -3.010 -2.978
12 HB2 PHE 2 2HB PHE 2 2.270 -4.096 -0.484
13 HB3 PHE 2 3HB PHE 2 1.382 -5.098 -1.627
14 HD1 PHE 2 HD1 PHE 2 4.734 -3.454 -1.670
15 HD2 PHE 2 HD2 PHE 2 2.492 -7.052 -2.061
16 HE1 PHE 2 HE1 PHE 2 6.802 -4.682 -2.190
17 HE2 PHE 2 HE2 PHE 2 4.557 -8.285 -2.580
18 HZ PHE 2 HZ PHE 2 6.715 -7.101 -2.645
19 H ALA 3 H ALA 3 -0.496 -2.981 -1.967
20 HA ALA 3 HA ALA 3 -1.614 -4.549 -3.964
21 HB1 ALA 3 1HB ALA 3 -2.781 -3.605 -1.953
22 HB2 ALA 3 2HB ALA 3 -2.900 -2.077 -2.826
23 HB3 ALA 3 3HB ALA 3 -3.695 -3.518 -3.459
24 H SER 4 H SER 4 -0.716 -1.134 -4.021
25 HA SER 4 HA SER 4 -1.897 -0.364 -6.408
26 HB2 SER 4 2HB SER 4 -0.690 1.129 -4.771
27 HB3 SER 4 3HB SER 4 0.827 0.551 -5.461
28 HG SER 4 HG SER 4 0.413 2.308 -6.642
29 H LEU 5 H LEU 5 1.216 -1.956 -5.861
30 HA LEU 5 HA LEU 5 1.660 -2.141 -8.743
31 HB2 LEU 5 2HB LEU 5 3.555 -3.379 -6.842
32 HB3 LEU 5 3HB LEU 5 3.864 -2.444 -8.304
33 HG LEU 5 HG LEU 5 2.937 -0.490 -6.713
34 HD11 LEU 5 1HD1 LEU 5 2.852 -2.386 -4.893
35 HD12 LEU 5 2HD1 LEU 5 3.372 -0.752 -4.484
36 HD13 LEU 5 3HD1 LEU 5 4.571 -2.017 -4.751
37 HD21 LEU 5 3HD2 LEU 5 5.229 0.161 -6.388
38 HD22 LEU 5 1HD2 LEU 5 5.064 -0.573 -7.983
39 HD23 LEU 5 2HD2 LEU 5 5.780 -1.492 -6.659
40 HA PRO 6 HA PRO 6 0.398 -6.326 -9.139
41 HB2 PRO 6 2HB PRO 6 2.199 -7.276 -10.934
42 HB3 PRO 6 3HB PRO 6 0.907 -6.153 -11.373
43 HG2 PRO 6 2HG PRO 6 3.792 -5.592 -10.807
44 HG3 PRO 6 3HG PRO 6 2.757 -4.942 -12.092
45 HD2 PRO 6 2HD PRO 6 3.332 -3.551 -9.840
46 HD3 PRO 6 3HD PRO 6 1.784 -3.388 -10.694
47 H GLY 7 H GLY 7 1.196 -6.598 -6.815
48 HA2 GLY 7 2HA GLY 7 3.478 -8.477 -6.788
49 HA3 GLY 7 3HA GLY 7 3.115 -7.387 -5.458
50 H ILE 8 H ILE 8 1.886 -8.123 -3.843
51 HA ILE 8 HA ILE 8 -0.005 -10.287 -4.308
52 HB ILE 8 HB ILE 8 0.891 -11.557 -2.328
53 HG12 ILE 8 2HG1 ILE 8 3.342 -9.854 -2.829
54 HG13 ILE 8 3HG1 ILE 8 2.289 -9.726 -1.424
55 HG21 ILE 8 1HG2 ILE 8 2.968 -11.507 -4.475
56 HG22 ILE 8 2HG2 ILE 8 2.240 -12.885 -3.650
57 HG23 ILE 8 3HG2 ILE 8 1.316 -11.992 -4.857
58 HD11 ILE 8 3HD1 ILE 8 4.252 -11.846 -2.137
59 HD12 ILE 8 1HD1 ILE 8 4.008 -11.001 -0.608
60 HD13 ILE 8 2HD1 ILE 8 2.867 -12.246 -1.120
61 H ILE 9 H ILE 9 -1.445 -10.646 -2.489
62 HA ILE 9 HA ILE 9 -1.897 -8.168 -1.009
63 HB ILE 9 HB ILE 9 -4.113 -9.069 -0.504
64 HG12 ILE 9 2HG1 ILE 9 -4.487 -11.246 -2.127
65 HG13 ILE 9 3HG1 ILE 9 -2.868 -11.540 -1.501
66 HG21 ILE 9 1HG2 ILE 9 -4.421 -7.915 -2.411
67 HG22 ILE 9 2HG2 ILE 9 -3.099 -8.734 -3.242
68 HG23 ILE 9 3HG2 ILE 9 -4.675 -9.514 -3.111
69 HD11 ILE 9 3HD1 ILE 9 -3.600 -11.804 0.646
70 HD12 ILE 9 1HD1 ILE 9 -5.028 -10.799 0.402
71 HD13 ILE 9 2HD1 ILE 9 -4.979 -12.437 -0.253
72 H PHE 10 H PHE 10 0.155 -10.277 -0.330
73 HA PHE 10 HA PHE 10 -0.663 -11.643 1.999
74 HB2 PHE 10 2HB PHE 10 1.398 -12.104 0.584
75 HB3 PHE 10 3HB PHE 10 2.154 -10.741 1.402
76 HD1 PHE 10 HD2 PHE 10 2.147 -10.835 4.002
77 HD2 PHE 10 HD1 PHE 10 1.595 -14.218 1.478
78 HE1 PHE 10 HE2 PHE 10 2.825 -12.317 5.845
79 HE2 PHE 10 HE1 PHE 10 2.271 -15.705 3.318
80 HZ PHE 10 HZ PHE 10 2.888 -14.756 5.504
81 H THR 11 H THR 11 1.132 -8.601 1.576
82 HA THR 11 HA THR 11 1.391 -7.996 4.308
83 HB THR 11 HB THR 11 2.757 -6.848 2.674
84 HG1 THR 11 HG1 THR 11 2.549 -5.555 4.416
85 HG21 THR 11 3HG2 THR 11 0.241 -5.480 1.722
86 HG22 THR 11 1HG2 THR 11 1.042 -6.797 0.868
87 HG23 THR 11 2HG2 THR 11 1.873 -5.259 1.094
88 H ARG 12 H ARG 12 -1.124 -7.212 1.955
89 HA ARG 12 HA ARG 12 -2.596 -5.396 3.473
90 HB2 ARG 12 2HB ARG 12 -3.315 -7.315 1.282
91 HB3 ARG 12 3HB ARG 12 -4.572 -6.386 2.090
92 HG2 ARG 12 2HG ARG 12 -2.833 -4.416 1.519
93 HG3 ARG 12 3HG ARG 12 -2.505 -5.522 0.183
94 HD2 ARG 12 2HD ARG 12 -4.480 -5.109 -0.797
95 HD3 ARG 12 3HD ARG 12 -5.350 -5.135 0.736
96 HE ARG 12 HE ARG 12 -4.433 -2.835 -0.666
97 HH11 ARG 12 1HH1 ARG 12 -4.987 -4.118 2.522
98 HH12 ARG 12 2HH1 ARG 12 -5.230 -2.563 3.247
99 HH21 ARG 12 1HH2 ARG 12 -4.750 -0.782 0.277
100 HH22 ARG 12 2HH2 ARG 12 -5.096 -0.667 1.969
101 H SER 13 H SER 13 -2.891 -8.932 3.271
102 HA SER 13 HA SER 13 -5.055 -9.190 5.041
103 HB2 SER 13 2HB SER 13 -4.461 -11.039 3.620
104 HB3 SER 13 3HB SER 13 -2.844 -11.123 4.319
105 HG SER 13 HG SER 13 -4.946 -12.442 5.102
106 H GLN 14 H GLN 14 -1.559 -9.258 5.599
107 HA GLN 14 HA GLN 14 -1.632 -9.910 8.326
108 HB2 GLN 14 2HB GLN 14 0.359 -8.615 6.519
109 HB3 GLN 14 3HB GLN 14 0.627 -8.528 8.255
110 HG2 GLN 14 2HG GLN 14 0.412 -11.020 8.323
111 HG3 GLN 14 3HG GLN 14 0.398 -10.999 6.561
112 HE21 GLN 14 1HE2 GLN 14 2.308 -11.777 8.935
113 HE22 GLN 14 2HE2 GLN 14 3.846 -11.257 8.343
114 H LYS 15 H LYS 15 -1.782 -6.801 6.661
115 HA LYS 15 HA LYS 15 -1.522 -5.087 8.827
116 HB2 LYS 15 2HB LYS 15 -1.537 -4.221 6.584
117 HB3 LYS 15 3HB LYS 15 -3.171 -4.812 6.312
118 HG2 LYS 15 2HG LYS 15 -3.246 -2.445 6.658
119 HG3 LYS 15 3HG LYS 15 -3.980 -3.245 8.050
120 HD2 LYS 15 2HD LYS 15 -2.647 -1.810 9.189
121 HD3 LYS 15 3HD LYS 15 -1.452 -3.082 8.923
122 HE2 LYS 15 2HE LYS 15 -0.291 -1.227 8.219
123 HE3 LYS 15 3HE LYS 15 -0.996 -1.782 6.702
124 HZ1 LYS 15 3HZ LYS 15 -1.217 0.720 7.726
125 HZ2 LYS 15 1HZ LYS 15 -2.701 0.022 8.142
126 HZ3 LYS 15 2HZ LYS 15 -2.208 0.062 6.524
127 H GLU 16 H GLU 16 -4.375 -6.794 7.635
128 HA GLU 16 HA GLU 16 -6.070 -5.603 9.664
129 HB2 GLU 16 2HB GLU 16 -7.173 -5.947 7.607
130 HB3 GLU 16 3HB GLU 16 -6.538 -7.578 7.443
131 HG2 GLU 16 2HG GLU 16 -8.159 -8.483 8.707
132 HG3 GLU 16 3HG GLU 16 -8.213 -7.111 9.812
133 H GLY 17 H GLY 17 -4.263 -8.526 9.146
134 HA2 GLY 17 2HA GLY 17 -3.588 -9.938 10.927
135 HA3 GLY 17 3HA GLY 17 -4.980 -9.394 11.851
136 H LEU 18 H LEU 18 -6.872 -10.510 11.737
137 HA LEU 18 HA LEU 18 -6.823 -12.955 10.099
138 HB2 LEU 18 2HB LEU 18 -7.973 -12.312 12.778
139 HB3 LEU 18 3HB LEU 18 -8.692 -13.596 11.809
140 HG LEU 18 HG LEU 18 -6.423 -14.679 11.744
141 HD11 LEU 18 1HD1 LEU 18 -4.754 -13.289 12.316
142 HD12 LEU 18 2HD1 LEU 18 -5.160 -13.781 13.960
143 HD13 LEU 18 3HD1 LEU 18 -5.799 -12.271 13.309
144 HD21 LEU 18 3HD2 LEU 18 -8.272 -15.339 13.281
145 HD22 LEU 18 1HD2 LEU 18 -7.558 -14.294 14.510
146 HD23 LEU 18 2HD2 LEU 18 -6.658 -15.684 13.903
Start of MODEL 6
1 H1 VAL 1 H VAL 1 0.363 -0.009 0.448
2 HA VAL 1 HA VAL 1 0.016 0.868 -2.204
3 HB VAL 1 HB VAL 1 2.611 -0.010 -0.933
4 HG11 VAL 1 1HG1 VAL 1 3.287 2.033 -2.502
5 HG12 VAL 1 2HG1 VAL 1 3.223 0.370 -3.090
6 HG13 VAL 1 3HG1 VAL 1 1.876 1.467 -3.396
7 HG21 VAL 1 3HG2 VAL 1 0.859 2.239 -0.344
8 HG22 VAL 1 1HG2 VAL 1 2.236 1.609 0.560
9 HG23 VAL 1 2HG2 VAL 1 2.496 2.738 -0.770
10 H PHE 2 H PHE 2 1.363 -2.144 -0.890
11 HA PHE 2 HA PHE 2 2.159 -3.335 -3.266
12 HB2 PHE 2 2HB PHE 2 1.427 -4.291 -0.565
13 HB3 PHE 2 3HB PHE 2 1.344 -5.494 -1.848
14 HD1 PHE 2 HD1 PHE 2 3.689 -2.687 -1.108
15 HD2 PHE 2 HD2 PHE 2 3.184 -6.857 -1.792
16 HE1 PHE 2 HE1 PHE 2 6.125 -3.002 -0.963
17 HE2 PHE 2 HE2 PHE 2 5.619 -7.179 -1.647
18 HZ PHE 2 HZ PHE 2 7.092 -5.251 -1.231
19 H ALA 3 H ALA 3 -1.023 -3.260 -1.740
20 HA ALA 3 HA ALA 3 -2.314 -5.082 -3.443
21 HB1 ALA 3 1HB ALA 3 -3.030 -3.555 -1.250
22 HB2 ALA 3 2HB ALA 3 -4.048 -2.937 -2.551
23 HB3 ALA 3 3HB ALA 3 -4.076 -4.654 -2.150
24 H SER 4 H SER 4 -1.807 -1.593 -3.689
25 HA SER 4 HA SER 4 -3.449 -1.132 -5.922
26 HB2 SER 4 2HB SER 4 -2.752 0.783 -4.731
27 HB3 SER 4 3HB SER 4 -1.053 0.314 -4.802
28 HG SER 4 HG SER 4 -2.623 1.018 -7.059
29 H LEU 5 H LEU 5 0.049 -1.755 -5.720
30 HA LEU 5 HA LEU 5 0.328 -1.871 -8.580
31 HB2 LEU 5 2HB LEU 5 2.649 -2.670 -8.002
32 HB3 LEU 5 3HB LEU 5 2.207 -1.066 -7.420
33 HG LEU 5 HG LEU 5 1.592 -2.888 -5.352
34 HD11 LEU 5 1HD1 LEU 5 3.367 -4.201 -6.856
35 HD12 LEU 5 2HD1 LEU 5 3.337 -4.303 -5.096
36 HD13 LEU 5 3HD1 LEU 5 4.477 -3.222 -5.897
37 HD21 LEU 5 3HD2 LEU 5 2.468 -0.434 -5.438
38 HD22 LEU 5 1HD2 LEU 5 4.055 -1.201 -5.379
39 HD23 LEU 5 2HD2 LEU 5 2.895 -1.475 -4.080
40 HA PRO 6 HA PRO 6 -0.452 -6.131 -9.290
41 HB2 PRO 6 2HB PRO 6 1.349 -6.691 -11.242
42 HB3 PRO 6 3HB PRO 6 -0.093 -5.708 -11.519
43 HG2 PRO 6 2HG PRO 6 2.729 -4.836 -11.034
44 HG3 PRO 6 3HG PRO 6 1.553 -4.216 -12.207
45 HD2 PRO 6 2HD PRO 6 2.077 -2.959 -9.867
46 HD3 PRO 6 3HD PRO 6 0.476 -2.921 -10.634
47 H GLY 7 H GLY 7 0.248 -6.940 -7.237
48 HA2 GLY 7 2HA GLY 7 2.644 -8.582 -7.462
49 HA3 GLY 7 3HA GLY 7 2.631 -7.409 -6.153
50 H ILE 8 H ILE 8 2.569 -8.801 -4.447
51 HA ILE 8 HA ILE 8 0.359 -10.736 -4.350
52 HB ILE 8 HB ILE 8 1.553 -11.833 -2.541
53 HG12 ILE 8 2HG1 ILE 8 3.639 -9.675 -2.926
54 HG13 ILE 8 3HG1 ILE 8 2.583 -9.849 -1.529
55 HG21 ILE 8 1HG2 ILE 8 2.721 -12.995 -4.034
56 HG22 ILE 8 2HG2 ILE 8 2.349 -11.731 -5.206
57 HG23 ILE 8 3HG2 ILE 8 3.848 -11.660 -4.279
58 HD11 ILE 8 3HD1 ILE 8 3.717 -12.265 -1.514
59 HD12 ILE 8 1HD1 ILE 8 5.014 -11.341 -2.272
60 HD13 ILE 8 2HD1 ILE 8 4.405 -10.869 -0.685
61 H ILE 9 H ILE 9 -0.200 -11.124 -1.837
62 HA ILE 9 HA ILE 9 -0.839 -8.474 -0.715
63 HB ILE 9 HB ILE 9 -2.849 -9.816 0.308
64 HG12 ILE 9 2HG1 ILE 9 -3.726 -11.512 -1.248
65 HG13 ILE 9 3HG1 ILE 9 -2.277 -11.356 -2.235
66 HG21 ILE 9 1HG2 ILE 9 -4.016 -8.446 -0.996
67 HG22 ILE 9 2HG2 ILE 9 -2.515 -8.075 -1.844
68 HG23 ILE 9 3HG2 ILE 9 -3.573 -9.352 -2.442
69 HD11 ILE 9 3HD1 ILE 9 -2.588 -13.264 -0.414
70 HD12 ILE 9 1HD1 ILE 9 -1.015 -12.574 -0.811
71 HD13 ILE 9 2HD1 ILE 9 -1.887 -12.017 0.617
72 H PHE 10 H PHE 10 1.338 -10.524 -0.189
73 HA PHE 10 HA PHE 10 0.960 -11.825 2.236
74 HB2 PHE 10 2HB PHE 10 2.966 -11.892 0.592
75 HB3 PHE 10 3HB PHE 10 3.584 -10.539 1.533
76 HD1 PHE 10 HD1 PHE 10 2.491 -14.067 1.768
77 HD2 PHE 10 HD2 PHE 10 4.666 -10.888 3.579
78 HE1 PHE 10 HE1 PHE 10 3.419 -15.644 3.412
79 HE2 PHE 10 HE2 PHE 10 5.598 -12.461 5.226
80 HZ PHE 10 HZ PHE 10 4.976 -14.842 5.143
81 H THR 11 H THR 11 2.249 -8.561 1.652
82 HA THR 11 HA THR 11 2.703 -7.849 4.309
83 HB THR 11 HB THR 11 3.579 -6.477 2.530
84 HG1 THR 11 HG1 THR 11 3.348 -4.729 3.712
85 HG21 THR 11 3HG2 THR 11 2.196 -5.148 1.070
86 HG22 THR 11 1HG2 THR 11 0.734 -5.690 1.893
87 HG23 THR 11 2HG2 THR 11 1.689 -6.833 0.948
88 H ARG 12 H ARG 12 -0.224 -7.610 2.344
89 HA ARG 12 HA ARG 12 -1.790 -6.099 4.090
90 HB2 ARG 12 2HB ARG 12 -2.538 -8.223 2.082
91 HB3 ARG 12 3HB ARG 12 -3.732 -7.275 2.958
92 HG2 ARG 12 2HG ARG 12 -2.118 -5.326 1.961
93 HG3 ARG 12 3HG ARG 12 -2.043 -6.544 0.686
94 HD2 ARG 12 2HD ARG 12 -3.908 -5.451 -0.007
95 HD3 ARG 12 3HD ARG 12 -4.670 -6.576 1.118
96 HE ARG 12 HE ARG 12 -3.919 -4.193 2.449
97 HH11 ARG 12 1HH1 ARG 12 -6.276 -5.472 0.230
98 HH12 ARG 12 2HH1 ARG 12 -7.508 -4.340 0.682
99 HH21 ARG 12 1HH2 ARG 12 -5.532 -2.697 3.053
100 HH22 ARG 12 2HH2 ARG 12 -7.083 -2.762 2.287
101 H SER 13 H SER 13 -1.247 -9.591 3.935
102 HA SER 13 HA SER 13 -3.127 -10.358 5.869
103 HB2 SER 13 2HB SER 13 -2.049 -11.974 4.378
104 HB3 SER 13 3HB SER 13 -0.493 -11.668 5.149
105 HG SER 13 HG SER 13 -1.080 -12.828 6.832
106 H GLN 14 H GLN 14 0.341 -9.640 6.199
107 HA GLN 14 HA GLN 14 0.527 -10.085 8.957
108 HB2 GLN 14 2HB GLN 14 2.450 -9.821 7.372
109 HB3 GLN 14 3HB GLN 14 2.130 -8.092 7.349
110 HG2 GLN 14 2HG GLN 14 3.838 -8.299 8.892
111 HG3 GLN 14 3HG GLN 14 2.394 -8.217 9.898
112 HE21 GLN 14 1HE2 GLN 14 2.032 -9.798 11.309
113 HE22 GLN 14 2HE2 GLN 14 2.912 -11.282 11.394
114 H LYS 15 H LYS 15 -0.220 -7.145 7.131
115 HA LYS 15 HA LYS 15 -0.297 -5.363 9.292
116 HB2 LYS 15 2HB LYS 15 -0.268 -4.624 6.955
117 HB3 LYS 15 3HB LYS 15 -1.875 -5.297 6.712
118 HG2 LYS 15 2HG LYS 15 -2.251 -3.022 6.999
119 HG3 LYS 15 3HG LYS 15 -2.616 -3.713 8.582
120 HD2 LYS 15 2HD LYS 15 -0.763 -2.795 9.561
121 HD3 LYS 15 3HD LYS 15 0.166 -2.798 8.060
122 HE2 LYS 15 2HE LYS 15 -0.337 -0.526 8.654
123 HE3 LYS 15 3HE LYS 15 -1.276 -0.959 7.227
124 HZ1 LYS 15 3HZ LYS 15 -2.622 0.250 8.815
125 HZ2 LYS 15 1HZ LYS 15 -2.291 -0.895 10.017
126 HZ3 LYS 15 2HZ LYS 15 -3.195 -1.334 8.656
127 H GLU 16 H GLU 16 -2.885 -7.285 7.796
128 HA GLU 16 HA GLU 16 -4.314 -7.336 10.311
129 HB2 GLU 16 2HB GLU 16 -6.440 -6.531 9.254
130 HB3 GLU 16 3HB GLU 16 -5.212 -5.290 9.459
131 HG2 GLU 16 2HG GLU 16 -4.634 -5.401 7.131
132 HG3 GLU 16 3HG GLU 16 -5.724 -6.765 6.888
133 H GLY 17 H GLY 17 -5.942 -8.948 10.396
134 HA2 GLY 17 2HA GLY 17 -5.716 -10.920 8.211
135 HA3 GLY 17 3HA GLY 17 -5.991 -11.332 9.897
136 H LEU 18 H LEU 18 -8.037 -9.934 10.736
137 HA LEU 18 HA LEU 18 -10.186 -10.352 8.767
138 HB2 LEU 18 2HB LEU 18 -9.865 -12.023 10.781
139 HB3 LEU 18 3HB LEU 18 -10.701 -10.753 11.672
140 HG LEU 18 HG LEU 18 -12.291 -12.420 10.995
141 HD11 LEU 18 1HD1 LEU 18 -13.875 -11.056 9.809
142 HD12 LEU 18 2HD1 LEU 18 -12.587 -10.015 9.202
143 HD13 LEU 18 3HD1 LEU 18 -12.965 -10.038 10.925
144 HD21 LEU 18 3HD2 LEU 18 -10.678 -12.741 8.777
145 HD22 LEU 18 1HD2 LEU 18 -12.146 -12.013 8.123
146 HD23 LEU 18 2HD2 LEU 18 -12.242 -13.510 9.051
Start of MODEL 7
1 H1 VAL 1 H VAL 1 3.187 -1.112 0.911
2 HA VAL 1 HA VAL 1 3.447 -0.269 -1.758
3 HB VAL 1 HB VAL 1 5.200 -2.244 -0.289
4 HG11 VAL 1 1HG1 VAL 1 5.612 -0.566 -2.751
5 HG12 VAL 1 2HG1 VAL 1 6.949 -1.267 -1.837
6 HG13 VAL 1 3HG1 VAL 1 5.746 -2.317 -2.587
7 HG21 VAL 1 3HG2 VAL 1 5.149 0.760 -0.313
8 HG22 VAL 1 1HG2 VAL 1 5.133 -0.330 1.073
9 HG23 VAL 1 2HG2 VAL 1 6.599 -0.150 0.109
10 H PHE 2 H PHE 2 3.190 -3.544 -0.385
11 HA PHE 2 HA PHE 2 3.353 -4.994 -2.744
12 HB2 PHE 2 2HB PHE 2 2.423 -5.475 -0.021
13 HB3 PHE 2 3HB PHE 2 1.529 -6.413 -1.212
14 HD1 PHE 2 HD1 PHE 2 5.103 -5.388 -1.178
15 HD2 PHE 2 HD2 PHE 2 2.298 -8.584 -0.998
16 HE1 PHE 2 HE1 PHE 2 6.950 -7.010 -1.279
17 HE2 PHE 2 HE2 PHE 2 4.140 -10.211 -1.098
18 HZ PHE 2 HZ PHE 2 6.470 -9.425 -1.238
19 H ALA 3 H ALA 3 0.443 -3.744 -1.123
20 HA ALA 3 HA ALA 3 -1.401 -4.667 -3.039
21 HB1 ALA 3 1HB ALA 3 -1.984 -2.165 -1.551
22 HB2 ALA 3 2HB ALA 3 -2.993 -3.587 -1.818
23 HB3 ALA 3 3HB ALA 3 -1.700 -3.635 -0.618
24 H SER 4 H SER 4 0.393 -1.637 -2.749
25 HA SER 4 HA SER 4 -0.894 -0.208 -4.783
26 HB2 SER 4 2HB SER 4 0.536 1.013 -3.337
27 HB3 SER 4 3HB SER 4 1.902 -0.056 -3.658
28 HG SER 4 HG SER 4 2.167 1.829 -4.837
29 H LEU 5 H LEU 5 1.969 -2.304 -4.904
30 HA LEU 5 HA LEU 5 2.291 -1.989 -7.738
31 HB2 LEU 5 2HB LEU 5 3.572 -3.655 -5.619
32 HB3 LEU 5 3HB LEU 5 3.826 -4.065 -7.315
33 HG LEU 5 HG LEU 5 5.663 -2.727 -6.400
34 HD11 LEU 5 1HD1 LEU 5 5.735 -1.042 -8.158
35 HD12 LEU 5 2HD1 LEU 5 4.007 -1.251 -8.443
36 HD13 LEU 5 3HD1 LEU 5 5.123 -2.576 -8.777
37 HD21 LEU 5 3HD2 LEU 5 5.284 -0.369 -5.831
38 HD22 LEU 5 1HD2 LEU 5 4.436 -1.458 -4.734
39 HD23 LEU 5 2HD2 LEU 5 3.545 -0.615 -6.001
40 HA PRO 6 HA PRO 6 -0.325 -5.162 -9.270
41 HB2 PRO 6 2HB PRO 6 1.157 -6.184 -11.302
42 HB3 PRO 6 3HB PRO 6 0.392 -4.592 -11.377
43 HG2 PRO 6 2HG PRO 6 3.231 -5.300 -10.746
44 HG3 PRO 6 3HG PRO 6 2.605 -3.997 -11.772
45 HD2 PRO 6 2HD PRO 6 3.454 -3.574 -9.236
46 HD3 PRO 6 3HD PRO 6 2.141 -2.633 -9.973
47 H GLY 7 H GLY 7 2.626 -5.896 -7.789
48 HA2 GLY 7 2HA GLY 7 3.039 -8.588 -8.217
49 HA3 GLY 7 3HA GLY 7 3.349 -7.779 -6.688
50 H ILE 8 H ILE 8 1.776 -7.837 -5.049
51 HA ILE 8 HA ILE 8 -0.642 -9.380 -5.477
52 HB ILE 8 HB ILE 8 -0.114 -10.901 -3.541
53 HG12 ILE 8 2HG1 ILE 8 2.700 -9.926 -4.079
54 HG13 ILE 8 3HG1 ILE 8 1.768 -9.631 -2.615
55 HG21 ILE 8 1HG2 ILE 8 0.071 -11.416 -6.064
56 HG22 ILE 8 2HG2 ILE 8 1.811 -11.386 -5.782
57 HG23 ILE 8 3HG2 ILE 8 0.797 -12.539 -4.914
58 HD11 ILE 8 3HD1 ILE 8 3.386 -11.899 -3.347
59 HD12 ILE 8 1HD1 ILE 8 2.721 -11.445 -1.778
60 HD13 ILE 8 2HD1 ILE 8 1.749 -12.388 -2.909
61 H ILE 9 H ILE 9 -1.626 -9.762 -3.089
62 HA ILE 9 HA ILE 9 -1.448 -7.151 -1.732
63 HB ILE 9 HB ILE 9 -3.853 -7.748 -0.980
64 HG12 ILE 9 2HG1 ILE 9 -5.084 -9.058 -2.727
65 HG13 ILE 9 3HG1 ILE 9 -3.529 -9.506 -3.420
66 HG21 ILE 9 1HG2 ILE 9 -4.465 -6.145 -2.404
67 HG22 ILE 9 2HG2 ILE 9 -2.811 -6.203 -3.011
68 HG23 ILE 9 3HG2 ILE 9 -4.076 -7.134 -3.811
69 HD11 ILE 9 3HD1 ILE 9 -2.945 -10.779 -1.530
70 HD12 ILE 9 1HD1 ILE 9 -4.260 -10.100 -0.572
71 HD13 ILE 9 2HD1 ILE 9 -4.616 -11.198 -1.905
72 H PHE 10 H PHE 10 0.203 -9.346 -1.060
73 HA PHE 10 HA PHE 10 -0.703 -10.988 0.983
74 HB2 PHE 10 2HB PHE 10 1.550 -11.065 -0.171
75 HB3 PHE 10 3HB PHE 10 2.050 -9.752 0.890
76 HD1 PHE 10 HD2 PHE 10 -0.007 -12.764 1.619
77 HD2 PHE 10 HD1 PHE 10 3.629 -10.663 2.311
78 HE1 PHE 10 HE2 PHE 10 0.606 -14.402 3.349
79 HE2 PHE 10 HE1 PHE 10 4.249 -12.298 4.041
80 HZ PHE 10 HZ PHE 10 2.736 -14.170 4.563
81 H THR 11 H THR 11 0.707 -7.737 1.208
82 HA THR 11 HA THR 11 0.679 -7.496 3.991
83 HB THR 11 HB THR 11 1.884 -5.889 2.654
84 HG1 THR 11 HG1 THR 11 1.097 -3.977 3.666
85 HG21 THR 11 3HG2 THR 11 0.310 -5.892 0.726
86 HG22 THR 11 1HG2 THR 11 0.806 -4.275 1.223
87 HG23 THR 11 2HG2 THR 11 -0.787 -4.885 1.669
88 H ARG 12 H ARG 12 -1.830 -6.818 1.598
89 HA ARG 12 HA ARG 12 -3.675 -5.563 3.289
90 HB2 ARG 12 2HB ARG 12 -4.304 -7.337 0.924
91 HB3 ARG 12 3HB ARG 12 -5.343 -6.097 1.613
92 HG2 ARG 12 2HG ARG 12 -2.649 -5.498 0.426
93 HG3 ARG 12 3HG ARG 12 -4.145 -5.483 -0.510
94 HD2 ARG 12 2HD ARG 12 -4.190 -3.949 2.006
95 HD3 ARG 12 3HD ARG 12 -3.122 -3.323 0.749
96 HE ARG 12 HE ARG 12 -5.442 -3.761 -0.571
97 HH11 ARG 12 1HH1 ARG 12 -4.637 -2.041 2.346
98 HH12 ARG 12 2HH1 ARG 12 -5.912 -0.882 2.170
99 HH21 ARG 12 1HH2 ARG 12 -7.124 -2.241 -0.815
100 HH22 ARG 12 2HH2 ARG 12 -7.327 -0.996 0.371
101 H SER 13 H SER 13 -3.389 -8.991 2.374
102 HA SER 13 HA SER 13 -5.538 -9.919 3.924
103 HB2 SER 13 2HB SER 13 -4.733 -11.395 2.265
104 HB3 SER 13 3HB SER 13 -3.069 -11.260 2.833
105 HG SER 13 HG SER 13 -4.749 -13.122 3.464
106 H GLN 14 H GLN 14 -2.109 -9.520 4.673
107 HA GLN 14 HA GLN 14 -2.077 -10.783 7.165
108 HB2 GLN 14 2HB GLN 14 -0.109 -9.910 5.775
109 HB3 GLN 14 3HB GLN 14 -0.434 -8.346 6.510
110 HG2 GLN 14 2HG GLN 14 0.024 -10.803 8.163
111 HG3 GLN 14 3HG GLN 14 1.356 -9.812 7.571
112 HE21 GLN 14 1HE2 GLN 14 0.848 -10.232 10.274
113 HE22 GLN 14 2HE2 GLN 14 0.378 -8.732 10.990
114 H LYS 15 H LYS 15 -2.889 -7.465 6.271
115 HA LYS 15 HA LYS 15 -3.058 -6.326 8.798
116 HB2 LYS 15 2HB LYS 15 -3.341 -5.278 6.430
117 HB3 LYS 15 3HB LYS 15 -5.046 -5.649 6.653
118 HG2 LYS 15 2HG LYS 15 -3.625 -4.171 8.806
119 HG3 LYS 15 3HG LYS 15 -4.052 -3.313 7.324
120 HD2 LYS 15 2HD LYS 15 -6.402 -4.205 7.649
121 HD3 LYS 15 3HD LYS 15 -5.888 -4.705 9.262
122 HE2 LYS 15 2HE LYS 15 -5.752 -1.888 8.192
123 HE3 LYS 15 3HE LYS 15 -7.023 -2.509 9.244
124 HZ1 LYS 15 3HZ LYS 15 -5.098 -3.102 10.801
125 HZ2 LYS 15 1HZ LYS 15 -5.559 -1.477 10.691
126 HZ3 LYS 15 2HZ LYS 15 -4.182 -2.022 9.874
127 H GLU 16 H GLU 16 -5.511 -8.126 6.978
128 HA GLU 16 HA GLU 16 -7.352 -7.973 9.233
129 HB2 GLU 16 2HB GLU 16 -8.469 -7.653 7.192
130 HB3 GLU 16 3HB GLU 16 -7.586 -8.952 6.402
131 HG2 GLU 16 2HG GLU 16 -9.903 -9.565 6.816
132 HG3 GLU 16 3HG GLU 16 -8.791 -10.600 7.711
133 H GLY 17 H GLY 17 -6.895 -9.348 10.839
134 HA2 GLY 17 2HA GLY 17 -7.263 -11.634 11.589
135 HA3 GLY 17 3HA GLY 17 -6.477 -12.179 10.114
136 H LEU 18 H LEU 18 -5.888 -10.412 13.131
137 HA LEU 18 HA LEU 18 -3.079 -11.288 12.996
138 HB2 LEU 18 2HB LEU 18 -3.804 -8.769 13.099
139 HB3 LEU 18 3HB LEU 18 -3.998 -9.111 14.817
140 HG LEU 18 HG LEU 18 -1.430 -9.533 13.294
141 HD11 LEU 18 1HD1 LEU 18 -2.632 -7.099 14.086
142 HD12 LEU 18 2HD1 LEU 18 -1.016 -7.362 13.434
143 HD13 LEU 18 3HD1 LEU 18 -1.281 -7.407 15.177
144 HD21 LEU 18 3HD2 LEU 18 -1.556 -10.907 15.254
145 HD22 LEU 18 1HD2 LEU 18 -2.125 -9.551 16.227
146 HD23 LEU 18 2HD2 LEU 18 -0.479 -9.552 15.595
Start of MODEL 8
1 H1 VAL 1 H VAL 1 0.218 -0.210 0.493
2 HA VAL 1 HA VAL 1 0.337 0.703 -2.170
3 HB VAL 1 HB VAL 1 2.603 -0.467 -0.552
4 HG11 VAL 1 1HG1 VAL 1 4.053 0.808 -1.967
5 HG12 VAL 1 2HG1 VAL 1 2.991 -0.153 -2.997
6 HG13 VAL 1 3HG1 VAL 1 2.682 1.569 -2.772
7 HG21 VAL 1 3HG2 VAL 1 3.030 2.031 -0.097
8 HG22 VAL 1 1HG2 VAL 1 1.339 2.251 -0.545
9 HG23 VAL 1 2HG2 VAL 1 1.761 1.220 0.822
10 H PHE 2 H PHE 2 1.081 -2.449 -0.721
11 HA PHE 2 HA PHE 2 2.022 -3.718 -3.028
12 HB2 PHE 2 2HB PHE 2 0.824 -4.661 -0.456
13 HB3 PHE 2 3HB PHE 2 1.038 -5.819 -1.765
14 HD1 PHE 2 HD1 PHE 2 3.131 -2.995 -0.517
15 HD2 PHE 2 HD2 PHE 2 2.839 -7.166 -1.311
16 HE1 PHE 2 HE1 PHE 2 5.488 -3.279 0.127
17 HE2 PHE 2 HE2 PHE 2 5.195 -7.458 -0.667
18 HZ PHE 2 HZ PHE 2 6.523 -5.513 0.053
19 H ALA 3 H ALA 3 -1.261 -3.426 -1.736
20 HA ALA 3 HA ALA 3 -2.558 -5.090 -3.577
21 HB1 ALA 3 1HB ALA 3 -4.454 -3.222 -3.004
22 HB2 ALA 3 2HB ALA 3 -4.066 -4.612 -1.989
23 HB3 ALA 3 3HB ALA 3 -3.348 -3.038 -1.642
24 H SER 4 H SER 4 -1.855 -1.616 -3.694
25 HA SER 4 HA SER 4 -3.216 -1.086 -6.105
26 HB2 SER 4 2HB SER 4 -0.819 0.359 -4.948
27 HB3 SER 4 3HB SER 4 -1.928 0.994 -6.164
28 HG SER 4 HG SER 4 -3.565 0.980 -4.639
29 H LEU 5 H LEU 5 0.145 -1.968 -5.427
30 HA LEU 5 HA LEU 5 0.970 -1.822 -8.159
31 HB2 LEU 5 2HB LEU 5 2.163 -2.679 -5.592
32 HB3 LEU 5 3HB LEU 5 2.857 -3.369 -7.058
33 HG LEU 5 HG LEU 5 3.412 -1.159 -7.876
34 HD11 LEU 5 1HD1 LEU 5 3.123 0.723 -6.076
35 HD12 LEU 5 2HD1 LEU 5 1.785 -0.291 -5.537
36 HD13 LEU 5 3HD1 LEU 5 1.811 0.329 -7.188
37 HD21 LEU 5 3HD2 LEU 5 5.089 -2.184 -6.522
38 HD22 LEU 5 1HD2 LEU 5 4.271 -1.692 -5.038
39 HD23 LEU 5 2HD2 LEU 5 5.013 -0.477 -6.080
40 HA PRO 6 HA PRO 6 -0.138 -5.774 -9.709
41 HB2 PRO 6 2HB PRO 6 2.042 -6.464 -11.172
42 HB3 PRO 6 3HB PRO 6 0.913 -5.198 -11.669
43 HG2 PRO 6 2HG PRO 6 3.573 -4.942 -10.320
44 HG3 PRO 6 3HG PRO 6 2.899 -3.988 -11.654
45 HD2 PRO 6 2HD PRO 6 2.912 -3.106 -9.094
46 HD3 PRO 6 3HD PRO 6 1.628 -2.681 -10.244
47 H GLY 7 H GLY 7 2.652 -5.455 -7.712
48 HA2 GLY 7 2HA GLY 7 3.589 -8.084 -7.602
49 HA3 GLY 7 3HA GLY 7 3.709 -6.916 -6.294
50 H ILE 8 H ILE 8 3.479 -9.159 -5.210
51 HA ILE 8 HA ILE 8 0.903 -10.353 -5.113
52 HB ILE 8 HB ILE 8 1.733 -11.780 -3.473
53 HG12 ILE 8 2HG1 ILE 8 2.334 -10.171 -1.780
54 HG13 ILE 8 3HG1 ILE 8 3.721 -11.218 -2.061
55 HG21 ILE 8 1HG2 ILE 8 3.204 -11.366 -5.711
56 HG22 ILE 8 2HG2 ILE 8 4.434 -11.192 -4.461
57 HG23 ILE 8 3HG2 ILE 8 3.484 -12.674 -4.563
58 HD11 ILE 8 3HD1 ILE 8 4.575 -9.409 -3.618
59 HD12 ILE 8 1HD1 ILE 8 3.329 -8.375 -2.921
60 HD13 ILE 8 2HD1 ILE 8 4.589 -9.053 -1.891
61 H ILE 9 H ILE 9 -0.083 -10.649 -2.771
62 HA ILE 9 HA ILE 9 -0.165 -8.094 -1.349
63 HB ILE 9 HB ILE 9 -2.623 -8.099 -1.296
64 HG12 ILE 9 2HG1 ILE 9 -3.467 -9.603 -3.414
65 HG13 ILE 9 3HG1 ILE 9 -2.208 -10.633 -2.742
66 HG21 ILE 9 1HG2 ILE 9 -1.465 -8.074 -4.081
67 HG22 ILE 9 2HG2 ILE 9 -2.985 -7.327 -3.592
68 HG23 ILE 9 3HG2 ILE 9 -1.460 -6.729 -2.940
69 HD11 ILE 9 3HD1 ILE 9 -4.327 -9.469 -0.986
70 HD12 ILE 9 1HD1 ILE 9 -4.624 -10.930 -1.929
71 HD13 ILE 9 2HD1 ILE 9 -3.328 -10.900 -0.733
72 H PHE 10 H PHE 10 0.777 -10.907 -0.867
73 HA PHE 10 HA PHE 10 -0.861 -12.289 0.896
74 HB2 PHE 10 2HB PHE 10 1.319 -13.094 -0.060
75 HB3 PHE 10 3HB PHE 10 2.146 -12.074 1.113
76 HD1 PHE 10 HD2 PHE 10 1.700 -12.502 3.581
77 HD2 PHE 10 HD1 PHE 10 0.633 -15.243 0.505
78 HE1 PHE 10 HE2 PHE 10 1.580 -14.313 5.242
79 HE2 PHE 10 HE1 PHE 10 0.510 -17.059 2.161
80 HZ PHE 10 HZ PHE 10 0.985 -16.595 4.532
81 H THR 11 H THR 11 1.545 -9.773 1.607
82 HA THR 11 HA THR 11 1.317 -9.745 4.376
83 HB THR 11 HB THR 11 3.077 -8.498 3.306
84 HG1 THR 11 HG1 THR 11 2.750 -6.451 4.403
85 HG21 THR 11 3HG2 THR 11 2.701 -6.531 1.971
86 HG22 THR 11 1HG2 THR 11 0.963 -6.618 2.252
87 HG23 THR 11 2HG2 THR 11 1.763 -7.857 1.285
88 H ARG 12 H ARG 12 -0.629 -8.096 1.930
89 HA ARG 12 HA ARG 12 -2.135 -6.465 3.630
90 HB2 ARG 12 2HB ARG 12 -3.012 -7.758 1.041
91 HB3 ARG 12 3HB ARG 12 -3.776 -6.375 1.812
92 HG2 ARG 12 2HG ARG 12 -0.889 -6.263 1.055
93 HG3 ARG 12 3HG ARG 12 -2.144 -6.002 -0.158
94 HD2 ARG 12 2HD ARG 12 -1.875 -3.853 0.531
95 HD3 ARG 12 3HD ARG 12 -3.074 -4.368 1.717
96 HE ARG 12 HE ARG 12 -0.410 -4.822 2.626
97 HH11 ARG 12 1HH1 ARG 12 -2.857 -2.377 2.235
98 HH12 ARG 12 2HH1 ARG 12 -2.253 -1.383 3.519
99 HH21 ARG 12 1HH2 ARG 12 0.395 -3.521 4.318
100 HH22 ARG 12 2HH2 ARG 12 -0.403 -2.034 4.702
101 H SER 13 H SER 13 -2.848 -9.727 2.399
102 HA SER 13 HA SER 13 -5.307 -10.050 3.702
103 HB2 SER 13 2HB SER 13 -4.967 -11.656 2.073
104 HB3 SER 13 3HB SER 13 -3.284 -11.917 2.533
105 HG SER 13 HG SER 13 -5.606 -13.048 3.549
106 H GLN 14 H GLN 14 -2.008 -10.747 4.747
107 HA GLN 14 HA GLN 14 -2.621 -12.113 7.115
108 HB2 GLN 14 2HB GLN 14 -0.351 -11.829 5.942
109 HB3 GLN 14 3HB GLN 14 -0.236 -10.303 6.809
110 HG2 GLN 14 2HG GLN 14 -0.420 -11.487 8.932
111 HG3 GLN 14 3HG GLN 14 -0.550 -13.018 8.069
112 HE21 GLN 14 1HE2 GLN 14 1.427 -12.172 10.018
113 HE22 GLN 14 2HE2 GLN 14 2.962 -12.285 9.234
114 H LYS 15 H LYS 15 -2.178 -8.662 6.469
115 HA LYS 15 HA LYS 15 -2.350 -7.765 9.125
116 HB2 LYS 15 2HB LYS 15 -1.583 -6.423 7.142
117 HB3 LYS 15 3HB LYS 15 -3.268 -6.270 6.665
118 HG2 LYS 15 2HG LYS 15 -3.588 -5.316 9.060
119 HG3 LYS 15 3HG LYS 15 -1.843 -5.059 8.990
120 HD2 LYS 15 2HD LYS 15 -2.343 -3.938 6.711
121 HD3 LYS 15 3HD LYS 15 -4.004 -3.849 7.302
122 HE2 LYS 15 2HE LYS 15 -3.017 -1.796 7.893
123 HE3 LYS 15 3HE LYS 15 -3.049 -2.746 9.378
124 HZ1 LYS 15 3HZ LYS 15 -0.927 -1.659 9.121
125 HZ2 LYS 15 1HZ LYS 15 -0.703 -2.361 7.598
126 HZ3 LYS 15 2HZ LYS 15 -0.722 -3.333 8.982
127 H GLU 16 H GLU 16 -4.834 -8.367 6.686
128 HA GLU 16 HA GLU 16 -7.038 -7.256 7.929
129 HB2 GLU 16 2HB GLU 16 -6.733 -8.565 5.644
130 HB3 GLU 16 3HB GLU 16 -7.349 -9.907 6.597
131 HG2 GLU 16 2HG GLU 16 -9.247 -8.296 7.244
132 HG3 GLU 16 3HG GLU 16 -8.702 -7.344 5.864
133 H GLY 17 H GLY 17 -7.715 -7.531 9.947
134 HA2 GLY 17 2HA GLY 17 -8.871 -9.656 11.083
135 HA3 GLY 17 3HA GLY 17 -7.173 -10.017 11.357
136 H LEU 18 H LEU 18 -6.449 -7.195 11.673
137 HA LEU 18 HA LEU 18 -7.407 -6.878 14.425
138 HB2 LEU 18 2HB LEU 18 -4.966 -5.937 12.963
139 HB3 LEU 18 3HB LEU 18 -5.454 -5.202 14.489
140 HG LEU 18 HG LEU 18 -5.370 -7.590 15.435
141 HD11 LEU 18 1HD1 LEU 18 -3.627 -8.971 14.212
142 HD12 LEU 18 2HD1 LEU 18 -3.939 -7.938 12.817
143 HD13 LEU 18 3HD1 LEU 18 -5.239 -8.916 13.498
144 HD21 LEU 18 3HD2 LEU 18 -2.690 -7.344 15.288
145 HD22 LEU 18 1HD2 LEU 18 -3.708 -6.373 16.351
146 HD23 LEU 18 2HD2 LEU 18 -3.182 -5.722 14.799
Start of MODEL 9
1 H1 VAL 1 H VAL 1 0.781 0.837 -0.114
2 HA VAL 1 HA VAL 1 0.906 1.337 -2.885
3 HB VAL 1 HB VAL 1 3.107 0.170 -1.180
4 HG11 VAL 1 1HG1 VAL 1 2.979 1.466 -3.861
5 HG12 VAL 1 2HG1 VAL 1 4.415 1.704 -2.862
6 HG13 VAL 1 3HG1 VAL 1 3.920 0.075 -3.325
7 HG21 VAL 1 3HG2 VAL 1 2.943 2.038 0.036
8 HG22 VAL 1 1HG2 VAL 1 3.565 2.879 -1.384
9 HG23 VAL 1 2HG2 VAL 1 1.826 2.783 -1.107
10 H PHE 2 H PHE 2 1.545 -1.625 -1.017
11 HA PHE 2 HA PHE 2 2.180 -3.279 -3.179
12 HB2 PHE 2 2HB PHE 2 1.123 -3.797 -0.418
13 HB3 PHE 2 3HB PHE 2 1.290 -5.123 -1.564
14 HD1 PHE 2 HD1 PHE 2 3.364 -2.184 -0.558
15 HD2 PHE 2 HD2 PHE 2 3.167 -6.381 -1.232
16 HE1 PHE 2 HE1 PHE 2 5.744 -2.386 0.031
17 HE2 PHE 2 HE2 PHE 2 5.547 -6.591 -0.644
18 HZ PHE 2 HZ PHE 2 6.839 -4.592 -0.010
19 H ALA 3 H ALA 3 -0.936 -2.546 -1.675
20 HA ALA 3 HA ALA 3 -2.475 -4.375 -3.177
21 HB1 ALA 3 1HB ALA 3 -3.469 -1.771 -2.043
22 HB2 ALA 3 2HB ALA 3 -4.384 -3.251 -2.334
23 HB3 ALA 3 3HB ALA 3 -3.168 -3.202 -1.058
24 H SER 4 H SER 4 -1.807 -0.913 -3.642
25 HA SER 4 HA SER 4 -3.356 -0.592 -5.966
26 HB2 SER 4 2HB SER 4 -2.169 1.167 -4.402
27 HB3 SER 4 3HB SER 4 -0.854 1.004 -5.565
28 HG SER 4 HG SER 4 -3.398 2.090 -5.887
29 H LEU 5 H LEU 5 0.126 -1.212 -5.574
30 HA LEU 5 HA LEU 5 0.623 -1.410 -8.372
31 HB2 LEU 5 2HB LEU 5 2.147 -1.897 -5.877
32 HB3 LEU 5 3HB LEU 5 2.722 -2.694 -7.340
33 HG LEU 5 HG LEU 5 2.236 0.073 -7.896
34 HD11 LEU 5 1HD1 LEU 5 2.714 -0.014 -5.302
35 HD12 LEU 5 2HD1 LEU 5 3.422 1.230 -6.331
36 HD13 LEU 5 3HD1 LEU 5 4.381 -0.172 -5.856
37 HD21 LEU 5 3HD2 LEU 5 4.550 -1.822 -7.938
38 HD22 LEU 5 1HD2 LEU 5 4.800 -0.102 -8.240
39 HD23 LEU 5 2HD2 LEU 5 3.723 -1.033 -9.282
40 HA PRO 6 HA PRO 6 -0.396 -5.578 -9.287
41 HB2 PRO 6 2HB PRO 6 1.648 -6.342 -10.902
42 HB3 PRO 6 3HB PRO 6 0.393 -5.207 -11.413
43 HG2 PRO 6 2HG PRO 6 3.164 -4.649 -10.428
44 HG3 PRO 6 3HG PRO 6 2.287 -3.908 -11.780
45 HD2 PRO 6 2HD PRO 6 2.527 -2.706 -9.365
46 HD3 PRO 6 3HD PRO 6 1.099 -2.496 -10.399
47 H GLY 7 H GLY 7 2.388 -4.838 -7.496
48 HA2 GLY 7 2HA GLY 7 3.714 -7.261 -7.235
49 HA3 GLY 7 3HA GLY 7 3.602 -6.047 -5.969
50 H ILE 8 H ILE 8 3.753 -8.466 -5.018
51 HA ILE 8 HA ILE 8 1.383 -9.976 -4.857
52 HB ILE 8 HB ILE 8 2.411 -11.242 -3.182
53 HG12 ILE 8 2HG1 ILE 8 2.821 -9.504 -1.548
54 HG13 ILE 8 3HG1 ILE 8 4.316 -10.395 -1.817
55 HG21 ILE 8 1HG2 ILE 8 3.791 -10.626 -5.461
56 HG22 ILE 8 2HG2 ILE 8 5.001 -10.363 -4.207
57 HG23 ILE 8 3HG2 ILE 8 4.198 -11.927 -4.343
58 HD11 ILE 8 3HD1 ILE 8 3.589 -7.638 -2.730
59 HD12 ILE 8 1HD1 ILE 8 4.952 -8.154 -1.738
60 HD13 ILE 8 2HD1 ILE 8 4.916 -8.542 -3.459
61 H ILE 9 H ILE 9 0.284 -10.388 -2.672
62 HA ILE 9 HA ILE 9 -0.184 -7.851 -1.257
63 HB ILE 9 HB ILE 9 -2.585 -8.365 -1.135
64 HG12 ILE 9 2HG1 ILE 9 -3.149 -10.115 -3.145
65 HG13 ILE 9 3HG1 ILE 9 -1.676 -10.823 -2.491
66 HG21 ILE 9 1HG2 ILE 9 -3.136 -7.536 -3.247
67 HG22 ILE 9 2HG2 ILE 9 -1.479 -6.992 -2.993
68 HG23 ILE 9 3HG2 ILE 9 -1.801 -8.382 -4.029
69 HD11 ILE 9 3HD1 ILE 9 -2.660 -11.403 -0.538
70 HD12 ILE 9 1HD1 ILE 9 -3.774 -10.036 -0.561
71 HD13 ILE 9 2HD1 ILE 9 -4.082 -11.442 -1.580
72 H PHE 10 H PHE 10 1.321 -10.402 -0.687
73 HA PHE 10 HA PHE 10 0.025 -11.975 1.203
74 HB2 PHE 10 2HB PHE 10 2.331 -12.317 0.148
75 HB3 PHE 10 3HB PHE 10 2.940 -11.227 1.390
76 HD1 PHE 10 HD2 PHE 10 2.897 -11.882 3.747
77 HD2 PHE 10 HD1 PHE 10 1.674 -14.553 0.667
78 HE1 PHE 10 HE2 PHE 10 3.077 -13.769 5.316
79 HE2 PHE 10 HE1 PHE 10 1.852 -16.444 2.231
80 HZ PHE 10 HZ PHE 10 2.555 -16.054 4.558
81 H THR 11 H THR 11 1.783 -8.934 1.611
82 HA THR 11 HA THR 11 1.779 -8.798 4.395
83 HB THR 11 HB THR 11 3.091 -7.231 3.119
84 HG1 THR 11 HG1 THR 11 2.048 -6.577 5.197
85 HG21 THR 11 3HG2 THR 11 2.131 -5.491 1.753
86 HG22 THR 11 1HG2 THR 11 0.498 -5.998 2.182
87 HG23 THR 11 2HG2 THR 11 1.518 -7.048 1.198
88 H ARG 12 H ARG 12 -0.690 -7.834 2.057
89 HA ARG 12 HA ARG 12 -2.423 -6.560 3.877
90 HB2 ARG 12 2HB ARG 12 -3.243 -8.018 1.364
91 HB3 ARG 12 3HB ARG 12 -4.087 -6.693 2.154
92 HG2 ARG 12 2HG ARG 12 -2.163 -5.221 1.634
93 HG3 ARG 12 3HG ARG 12 -1.439 -6.554 0.732
94 HD2 ARG 12 2HD ARG 12 -2.574 -5.095 -0.806
95 HD3 ARG 12 3HD ARG 12 -3.457 -6.618 -0.703
96 HE ARG 12 HE ARG 12 -4.424 -4.562 1.069
97 HH11 ARG 12 1HH1 ARG 12 -4.639 -5.967 -2.109
98 HH12 ARG 12 2HH1 ARG 12 -6.238 -5.372 -2.407
99 HH21 ARG 12 1HH2 ARG 12 -6.530 -3.772 0.689
100 HH22 ARG 12 2HH2 ARG 12 -7.313 -4.122 -0.815
101 H SER 13 H SER 13 -2.421 -9.879 2.592
102 HA SER 13 HA SER 13 -4.663 -10.809 3.968
103 HB2 SER 13 2HB SER 13 -3.714 -12.112 2.173
104 HB3 SER 13 3HB SER 13 -2.190 -12.287 3.043
105 HG SER 13 HG SER 13 -4.505 -13.714 3.275
106 H GLN 14 H GLN 14 -1.234 -10.907 4.895
107 HA GLN 14 HA GLN 14 -1.629 -12.213 7.364
108 HB2 GLN 14 2HB GLN 14 0.555 -12.013 6.165
109 HB3 GLN 14 3HB GLN 14 0.607 -10.318 6.631
110 HG2 GLN 14 2HG GLN 14 0.460 -11.102 9.025
111 HG3 GLN 14 3HG GLN 14 0.740 -12.731 8.412
112 HE21 GLN 14 1HE2 GLN 14 2.765 -13.377 8.205
113 HE22 GLN 14 2HE2 GLN 14 4.159 -12.356 8.218
114 H LYS 15 H LYS 15 -1.266 -8.773 6.551
115 HA LYS 15 HA LYS 15 -1.408 -7.730 9.127
116 HB2 LYS 15 2HB LYS 15 -2.185 -6.628 6.440
117 HB3 LYS 15 3HB LYS 15 -2.415 -5.685 7.906
118 HG2 LYS 15 2HG LYS 15 0.245 -6.872 7.192
119 HG3 LYS 15 3HG LYS 15 -0.279 -5.302 6.576
120 HD2 LYS 15 2HD LYS 15 -0.716 -4.679 9.009
121 HD3 LYS 15 3HD LYS 15 0.200 -6.128 9.428
122 HE2 LYS 15 2HE LYS 15 1.788 -4.416 9.477
123 HE3 LYS 15 3HE LYS 15 2.029 -5.178 7.906
124 HZ1 LYS 15 3HZ LYS 15 2.040 -2.809 7.652
125 HZ2 LYS 15 1HZ LYS 15 0.550 -2.660 8.439
126 HZ3 LYS 15 2HZ LYS 15 0.637 -3.417 6.929
127 H GLU 16 H GLU 16 -4.020 -8.462 6.840
128 HA GLU 16 HA GLU 16 -6.177 -7.452 8.235
129 HB2 GLU 16 2HB GLU 16 -5.980 -8.725 5.923
130 HB3 GLU 16 3HB GLU 16 -6.464 -10.106 6.898
131 HG2 GLU 16 2HG GLU 16 -8.342 -8.444 7.704
132 HG3 GLU 16 3HG GLU 16 -7.994 -7.672 6.158
133 H GLY 17 H GLY 17 -6.779 -7.782 10.266
134 HA2 GLY 17 2HA GLY 17 -6.840 -10.531 11.289
135 HA3 GLY 17 3HA GLY 17 -5.962 -9.320 12.212
136 H LEU 18 H LEU 18 -7.268 -9.402 14.014
137 HA LEU 18 HA LEU 18 -10.039 -9.445 14.088
138 HB2 LEU 18 2HB LEU 18 -8.243 -9.607 15.972
139 HB3 LEU 18 3HB LEU 18 -8.491 -7.867 16.099
140 HG LEU 18 HG LEU 18 -10.725 -9.871 16.353
141 HD11 LEU 18 1HD1 LEU 18 -10.253 -10.242 18.504
142 HD12 LEU 18 2HD1 LEU 18 -9.807 -8.560 18.792
143 HD13 LEU 18 3HD1 LEU 18 -8.629 -9.680 18.106
144 HD21 LEU 18 3HD2 LEU 18 -11.518 -7.688 15.815
145 HD22 LEU 18 1HD2 LEU 18 -10.445 -6.943 17.000
146 HD23 LEU 18 2HD2 LEU 18 -11.794 -7.944 17.539
Start of MODEL 10
1 H1 VAL 1 H VAL 1 -0.495 0.649 -0.385
2 HA VAL 1 HA VAL 1 -0.271 0.959 -3.148
3 HB VAL 1 HB VAL 1 1.972 0.512 -1.172
4 HG11 VAL 1 1HG1 VAL 1 1.885 1.326 -4.031
5 HG12 VAL 1 2HG1 VAL 1 3.085 2.080 -2.980
6 HG13 VAL 1 3HG1 VAL 1 3.059 0.327 -3.175
7 HG21 VAL 1 3HG2 VAL 1 0.525 2.359 -0.507
8 HG22 VAL 1 1HG2 VAL 1 2.088 2.957 -1.064
9 HG23 VAL 1 2HG2 VAL 1 0.675 3.070 -2.114
10 H PHE 2 H PHE 2 0.746 -1.723 -1.065
11 HA PHE 2 HA PHE 2 2.063 -3.252 -2.994
12 HB2 PHE 2 2HB PHE 2 1.005 -3.664 -0.309
13 HB3 PHE 2 3HB PHE 2 0.889 -5.113 -1.303
14 HD1 PHE 2 HD1 PHE 2 3.381 -2.406 -0.658
15 HD2 PHE 2 HD2 PHE 2 2.642 -6.570 -1.137
16 HE1 PHE 2 HE1 PHE 2 5.761 -2.873 -0.244
17 HE2 PHE 2 HE2 PHE 2 5.020 -7.043 -0.723
18 HZ PHE 2 HZ PHE 2 6.584 -5.194 -0.275
19 H ALA 3 H ALA 3 -1.352 -3.097 -2.117
20 HA ALA 3 HA ALA 3 -2.318 -5.266 -3.555
21 HB1 ALA 3 1HB ALA 3 -3.465 -3.409 -1.999
22 HB2 ALA 3 2HB ALA 3 -3.986 -2.828 -3.582
23 HB3 ALA 3 3HB ALA 3 -4.379 -4.470 -3.072
24 H SER 4 H SER 4 -1.937 -1.894 -4.637
25 HA SER 4 HA SER 4 -2.846 -2.338 -7.271
26 HB2 SER 4 2HB SER 4 -2.635 -0.100 -6.118
27 HB3 SER 4 3HB SER 4 -0.896 -0.198 -6.396
28 HG SER 4 HG SER 4 -1.323 0.600 -8.283
29 H LEU 5 H LEU 5 0.365 -2.430 -5.808
30 HA LEU 5 HA LEU 5 1.892 -2.654 -8.134
31 HB2 LEU 5 2HB LEU 5 2.272 -3.515 -5.302
32 HB3 LEU 5 3HB LEU 5 3.430 -4.029 -6.527
33 HG LEU 5 HG LEU 5 2.759 -1.156 -5.896
34 HD11 LEU 5 1HD1 LEU 5 4.358 -1.113 -4.336
35 HD12 LEU 5 2HD1 LEU 5 5.436 -2.145 -5.276
36 HD13 LEU 5 3HD1 LEU 5 4.164 -2.866 -4.290
37 HD21 LEU 5 3HD2 LEU 5 4.915 -2.394 -7.604
38 HD22 LEU 5 1HD2 LEU 5 4.760 -0.678 -7.231
39 HD23 LEU 5 2HD2 LEU 5 3.516 -1.489 -8.182
40 HA PRO 6 HA PRO 6 1.213 -6.687 -9.722
41 HB2 PRO 6 2HB PRO 6 3.710 -7.431 -10.487
42 HB3 PRO 6 3HB PRO 6 2.768 -6.204 -11.343
43 HG2 PRO 6 2HG PRO 6 4.953 -5.850 -9.327
44 HG3 PRO 6 3HG PRO 6 4.678 -4.974 -10.844
45 HD2 PRO 6 2HD PRO 6 3.986 -3.960 -8.430
46 HD3 PRO 6 3HD PRO 6 3.072 -3.609 -9.911
47 H GLY 7 H GLY 7 3.147 -6.213 -6.963
48 HA2 GLY 7 2HA GLY 7 4.026 -8.870 -6.499
49 HA3 GLY 7 3HA GLY 7 3.884 -7.604 -5.288
50 H ILE 8 H ILE 8 2.917 -8.688 -3.654
51 HA ILE 8 HA ILE 8 0.318 -9.947 -4.247
52 HB ILE 8 HB ILE 8 0.653 -11.345 -2.245
53 HG12 ILE 8 2HG1 ILE 8 2.387 -9.583 -1.335
54 HG13 ILE 8 3HG1 ILE 8 2.543 -11.286 -0.917
55 HG21 ILE 8 1HG2 ILE 8 2.666 -11.471 -4.466
56 HG22 ILE 8 2HG2 ILE 8 2.593 -12.707 -3.211
57 HG23 ILE 8 3HG2 ILE 8 1.197 -12.422 -4.250
58 HD11 ILE 8 3HD1 ILE 8 3.952 -10.310 -3.337
59 HD12 ILE 8 1HD1 ILE 8 4.592 -9.863 -1.755
60 HD13 ILE 8 2HD1 ILE 8 4.409 -11.564 -2.185
61 H ILE 9 H ILE 9 -0.926 -10.139 -1.980
62 HA ILE 9 HA ILE 9 -0.935 -7.427 -0.823
63 HB ILE 9 HB ILE 9 -3.347 -7.679 -0.455
64 HG12 ILE 9 2HG1 ILE 9 -4.210 -9.685 -2.099
65 HG13 ILE 9 3HG1 ILE 9 -2.766 -10.407 -1.398
66 HG21 ILE 9 1HG2 ILE 9 -3.621 -6.679 -2.416
67 HG22 ILE 9 2HG2 ILE 9 -2.035 -7.270 -2.908
68 HG23 ILE 9 3HG2 ILE 9 -3.478 -8.220 -3.260
69 HD11 ILE 9 3HD1 ILE 9 -4.814 -9.111 0.347
70 HD12 ILE 9 1HD1 ILE 9 -5.037 -10.758 -0.242
71 HD13 ILE 9 2HD1 ILE 9 -3.631 -10.357 0.745
72 H PHE 10 H PHE 10 0.408 -9.987 0.032
73 HA PHE 10 HA PHE 10 -0.869 -11.086 2.264
74 HB2 PHE 10 2HB PHE 10 1.914 -10.978 1.247
75 HB3 PHE 10 3HB PHE 10 1.721 -11.358 2.955
76 HD1 PHE 10 HD2 PHE 10 -0.078 -12.304 -0.178
77 HD2 PHE 10 HD1 PHE 10 1.874 -13.599 3.375
78 HE1 PHE 10 HE2 PHE 10 -0.578 -14.642 -0.760
79 HE2 PHE 10 HE1 PHE 10 1.378 -15.939 2.799
80 HZ PHE 10 HZ PHE 10 0.150 -16.463 0.730
81 H THR 11 H THR 11 1.395 -8.366 2.021
82 HA THR 11 HA THR 11 1.664 -7.797 4.732
83 HB THR 11 HB THR 11 3.098 -6.709 3.131
84 HG1 THR 11 HG1 THR 11 3.093 -5.285 4.713
85 HG21 THR 11 3HG2 THR 11 0.677 -5.188 2.161
86 HG22 THR 11 1HG2 THR 11 1.404 -6.550 1.310
87 HG23 THR 11 2HG2 THR 11 2.326 -5.066 1.547
88 H ARG 12 H ARG 12 -0.813 -6.774 2.429
89 HA ARG 12 HA ARG 12 -2.130 -4.908 4.042
90 HB2 ARG 12 2HB ARG 12 -3.075 -6.675 1.795
91 HB3 ARG 12 3HB ARG 12 -4.158 -5.552 2.607
92 HG2 ARG 12 2HG ARG 12 -2.187 -3.859 2.044
93 HG3 ARG 12 3HG ARG 12 -1.919 -5.025 0.747
94 HD2 ARG 12 2HD ARG 12 -4.550 -3.680 1.348
95 HD3 ARG 12 3HD ARG 12 -3.419 -3.167 0.097
96 HE ARG 12 HE ARG 12 -3.858 -5.746 -0.534
97 HH11 ARG 12 1HH1 ARG 12 -6.002 -3.096 0.176
98 HH12 ARG 12 2HH1 ARG 12 -7.275 -3.683 -0.842
99 HH21 ARG 12 1HH2 ARG 12 -5.527 -6.529 -1.878
100 HH22 ARG 12 2HH2 ARG 12 -7.005 -5.636 -2.009
101 H SER 13 H SER 13 -2.774 -8.380 3.597
102 HA SER 13 HA SER 13 -4.931 -8.550 5.381
103 HB2 SER 13 2HB SER 13 -4.068 -10.282 3.658
104 HB3 SER 13 3HB SER 13 -3.000 -10.819 4.954
105 HG SER 13 HG SER 13 -4.634 -11.782 5.842
106 H GLN 14 H GLN 14 -1.459 -9.087 5.886
107 HA GLN 14 HA GLN 14 -1.554 -9.910 8.545
108 HB2 GLN 14 2HB GLN 14 0.518 -8.570 6.855
109 HB3 GLN 14 3HB GLN 14 0.799 -8.733 8.583
110 HG2 GLN 14 2HG GLN 14 0.880 -11.044 8.486
111 HG3 GLN 14 3HG GLN 14 0.014 -11.108 6.952
112 HE21 GLN 14 1HE2 GLN 14 2.265 -12.563 7.229
113 HE22 GLN 14 2HE2 GLN 14 3.548 -11.881 6.295
114 H LYS 15 H LYS 15 -1.321 -6.640 7.193
115 HA LYS 15 HA LYS 15 -1.069 -5.252 9.613
116 HB2 LYS 15 2HB LYS 15 -0.738 -4.336 7.278
117 HB3 LYS 15 3HB LYS 15 -2.489 -4.235 7.150
118 HG2 LYS 15 2HG LYS 15 -1.555 -2.085 7.741
119 HG3 LYS 15 3HG LYS 15 -2.538 -2.712 9.066
120 HD2 LYS 15 2HD LYS 15 -0.705 -3.125 10.405
121 HD3 LYS 15 3HD LYS 15 0.398 -3.257 9.034
122 HE2 LYS 15 2HE LYS 15 0.368 -0.887 8.700
123 HE3 LYS 15 3HE LYS 15 -0.918 -0.685 9.889
124 HZ1 LYS 15 3HZ LYS 15 1.834 -1.641 10.471
125 HZ2 LYS 15 1HZ LYS 15 0.600 -1.432 11.610
126 HZ3 LYS 15 2HZ LYS 15 1.239 -0.092 10.801
127 H GLU 16 H GLU 16 -3.952 -6.184 7.770
128 HA GLU 16 HA GLU 16 -5.900 -4.895 9.245
129 HB2 GLU 16 2HB GLU 16 -6.011 -6.484 7.128
130 HB3 GLU 16 3HB GLU 16 -6.422 -7.690 8.339
131 HG2 GLU 16 2HG GLU 16 -7.879 -5.085 8.255
132 HG3 GLU 16 3HG GLU 16 -8.303 -6.384 7.141
133 H GLY 17 H GLY 17 -4.790 -8.257 9.726
134 HA2 GLY 17 2HA GLY 17 -4.372 -8.309 12.393
135 HA3 GLY 17 3HA GLY 17 -6.125 -8.391 12.290
136 H LEU 18 H LEU 18 -7.103 -10.281 11.708
137 HA LEU 18 HA LEU 18 -5.559 -12.667 11.954
138 HB2 LEU 18 2HB LEU 18 -8.073 -12.124 12.542
139 HB3 LEU 18 3HB LEU 18 -8.343 -12.707 10.900
140 HG LEU 18 HG LEU 18 -8.729 -14.495 12.464
141 HD11 LEU 18 1HD1 LEU 18 -7.451 -16.155 11.447
142 HD12 LEU 18 2HD1 LEU 18 -6.051 -15.099 11.262
143 HD13 LEU 18 3HD1 LEU 18 -7.477 -14.857 10.253
144 HD21 LEU 18 3HD2 LEU 18 -6.988 -13.367 14.110
145 HD22 LEU 18 1HD2 LEU 18 -5.902 -14.544 13.371
146 HD23 LEU 18 2HD2 LEU 18 -7.365 -15.088 14.191
Start of MODEL 11
1 H1 VAL 1 H VAL 1 1.058 0.371 0.255
2 HA VAL 1 HA VAL 1 1.599 1.007 -2.418
3 HB VAL 1 HB VAL 1 3.443 -0.414 -0.493
4 HG11 VAL 1 1HG1 VAL 1 4.402 -0.525 -2.638
5 HG12 VAL 1 2HG1 VAL 1 3.900 1.119 -3.037
6 HG13 VAL 1 3HG1 VAL 1 5.180 0.849 -1.853
7 HG21 VAL 1 3HG2 VAL 1 2.804 2.504 -0.855
8 HG22 VAL 1 1HG2 VAL 1 2.707 1.538 0.618
9 HG23 VAL 1 2HG2 VAL 1 4.280 1.940 -0.072
10 H PHE 2 H PHE 2 1.558 -2.115 -0.744
11 HA PHE 2 HA PHE 2 2.483 -3.676 -2.893
12 HB2 PHE 2 2HB PHE 2 1.170 -4.164 -0.301
13 HB3 PHE 2 3HB PHE 2 0.881 -5.404 -1.517
14 HD1 PHE 2 HD1 PHE 2 3.796 -3.350 -0.403
15 HD2 PHE 2 HD2 PHE 2 2.271 -7.209 -1.352
16 HE1 PHE 2 HE1 PHE 2 5.996 -4.337 0.090
17 HE2 PHE 2 HE2 PHE 2 4.468 -8.202 -0.860
18 HZ PHE 2 HZ PHE 2 6.333 -6.766 -0.137
19 H ALA 3 H ALA 3 -0.787 -2.769 -1.884
20 HA ALA 3 HA ALA 3 -2.189 -4.312 -3.770
21 HB1 ALA 3 1HB ALA 3 -3.456 -3.484 -1.990
22 HB2 ALA 3 2HB ALA 3 -2.886 -1.832 -2.232
23 HB3 ALA 3 3HB ALA 3 -4.009 -2.555 -3.384
24 H SER 4 H SER 4 -0.992 -0.976 -3.897
25 HA SER 4 HA SER 4 -2.089 -0.329 -6.411
26 HB2 SER 4 2HB SER 4 0.498 0.889 -5.539
27 HB3 SER 4 3HB SER 4 -0.924 1.658 -6.244
28 HG SER 4 HG SER 4 -0.275 1.526 -3.702
29 H LEU 5 H LEU 5 1.125 -1.528 -5.487
30 HA LEU 5 HA LEU 5 2.081 -1.644 -8.177
31 HB2 LEU 5 2HB LEU 5 3.139 -1.988 -5.563
32 HB3 LEU 5 3HB LEU 5 3.529 -3.427 -6.503
33 HG LEU 5 HG LEU 5 4.143 -1.191 -8.119
34 HD11 LEU 5 1HD1 LEU 5 4.109 -0.089 -5.764
35 HD12 LEU 5 2HD1 LEU 5 5.460 0.218 -6.856
36 HD13 LEU 5 3HD1 LEU 5 5.635 -0.947 -5.543
37 HD21 LEU 5 3HD2 LEU 5 6.536 -2.160 -7.262
38 HD22 LEU 5 1HD2 LEU 5 5.564 -2.871 -8.551
39 HD23 LEU 5 2HD2 LEU 5 5.461 -3.515 -6.912
40 HA PRO 6 HA PRO 6 0.484 -5.514 -9.508
41 HB2 PRO 6 2HB PRO 6 2.473 -6.330 -11.165
42 HB3 PRO 6 3HB PRO 6 1.361 -5.018 -11.573
43 HG2 PRO 6 2HG PRO 6 4.151 -4.871 -10.498
44 HG3 PRO 6 3HG PRO 6 3.393 -3.906 -11.777
45 HD2 PRO 6 2HD PRO 6 3.701 -2.988 -9.249
46 HD3 PRO 6 3HD PRO 6 2.330 -2.518 -10.275
47 H GLY 7 H GLY 7 1.053 -6.092 -7.079
48 HA2 GLY 7 2HA GLY 7 2.870 -8.417 -7.200
49 HA3 GLY 7 3HA GLY 7 2.850 -7.340 -5.812
50 H ILE 8 H ILE 8 2.222 -8.831 -4.300
51 HA ILE 8 HA ILE 8 -0.324 -10.225 -4.749
52 HB ILE 8 HB ILE 8 0.287 -11.606 -2.799
53 HG12 ILE 8 2HG1 ILE 8 2.878 -10.044 -2.893
54 HG13 ILE 8 3HG1 ILE 8 1.671 -9.961 -1.615
55 HG21 ILE 8 1HG2 ILE 8 2.396 -11.482 -4.950
56 HG22 ILE 8 2HG2 ILE 8 2.100 -12.851 -3.881
57 HG23 ILE 8 3HG2 ILE 8 0.867 -12.355 -5.039
58 HD11 ILE 8 3HD1 ILE 8 3.615 -12.122 -2.249
59 HD12 ILE 8 1HD1 ILE 8 3.225 -11.372 -0.701
60 HD13 ILE 8 2HD1 ILE 8 2.104 -12.522 -1.432
61 H ILE 9 H ILE 9 -1.354 -10.646 -2.371
62 HA ILE 9 HA ILE 9 -1.675 -7.979 -1.157
63 HB ILE 9 HB ILE 9 -4.031 -8.959 -0.550
64 HG12 ILE 9 2HG1 ILE 9 -4.935 -10.391 -2.341
65 HG13 ILE 9 3HG1 ILE 9 -3.338 -10.476 -3.077
66 HG21 ILE 9 1HG2 ILE 9 -3.162 -7.095 -2.278
67 HG22 ILE 9 2HG2 ILE 9 -3.937 -8.212 -3.401
68 HG23 ILE 9 3HG2 ILE 9 -4.863 -7.513 -2.073
69 HD11 ILE 9 3HD1 ILE 9 -2.483 -11.636 -1.128
70 HD12 ILE 9 1HD1 ILE 9 -4.058 -11.512 -0.345
71 HD13 ILE 9 2HD1 ILE 9 -3.872 -12.486 -1.804
72 H PHE 10 H PHE 10 -0.006 -10.412 -0.463
73 HA PHE 10 HA PHE 10 -0.985 -11.747 1.762
74 HB2 PHE 10 2HB PHE 10 1.675 -11.176 0.636
75 HB3 PHE 10 3HB PHE 10 1.667 -11.508 2.364
76 HD1 PHE 10 HD1 PHE 10 -0.437 -12.930 -0.352
77 HD2 PHE 10 HD2 PHE 10 2.550 -13.632 2.598
78 HE1 PHE 10 HE1 PHE 10 -0.545 -15.343 -0.821
79 HE2 PHE 10 HE2 PHE 10 2.447 -16.046 2.134
80 HZ PHE 10 HZ PHE 10 0.899 -16.904 0.422
81 H THR 11 H THR 11 0.892 -8.727 1.652
82 HA THR 11 HA THR 11 1.022 -8.240 4.388
83 HB THR 11 HB THR 11 2.352 -6.923 2.872
84 HG1 THR 11 HG1 THR 11 1.663 -4.763 3.637
85 HG21 THR 11 3HG2 THR 11 -0.211 -5.669 1.888
86 HG22 THR 11 1HG2 THR 11 0.700 -6.896 1.008
87 HG23 THR 11 2HG2 THR 11 1.425 -5.320 1.330
88 H ARG 12 H ARG 12 -1.503 -7.429 2.054
89 HA ARG 12 HA ARG 12 -3.078 -5.784 3.659
90 HB2 ARG 12 2HB ARG 12 -4.052 -7.748 1.577
91 HB3 ARG 12 3HB ARG 12 -4.917 -6.334 2.163
92 HG2 ARG 12 2HG ARG 12 -2.308 -6.272 0.661
93 HG3 ARG 12 3HG ARG 12 -3.901 -5.974 -0.039
94 HD2 ARG 12 2HD ARG 12 -2.631 -4.369 2.177
95 HD3 ARG 12 3HD ARG 12 -2.702 -3.890 0.482
96 HE ARG 12 HE ARG 12 -5.306 -4.410 1.345
97 HH11 ARG 12 1HH1 ARG 12 -2.733 -2.141 1.938
98 HH12 ARG 12 2HH1 ARG 12 -3.800 -0.844 2.364
99 HH21 ARG 12 1HH2 ARG 12 -6.720 -2.710 1.904
100 HH22 ARG 12 2HH2 ARG 12 -6.068 -1.169 2.345
101 H SER 13 H SER 13 -3.102 -9.312 3.309
102 HA SER 13 HA SER 13 -5.314 -9.881 4.899
103 HB2 SER 13 2HB SER 13 -4.377 -11.650 3.611
104 HB3 SER 13 3HB SER 13 -2.791 -11.450 4.357
105 HG SER 13 HG SER 13 -5.043 -12.763 5.290
106 H GLN 14 H GLN 14 -1.940 -9.352 5.803
107 HA GLN 14 HA GLN 14 -2.108 -10.073 8.495
108 HB2 GLN 14 2HB GLN 14 -0.041 -9.471 7.073
109 HB3 GLN 14 3HB GLN 14 -0.387 -7.807 7.522
110 HG2 GLN 14 2HG GLN 14 -0.088 -9.950 9.591
111 HG3 GLN 14 3HG GLN 14 1.309 -9.114 8.917
112 HE21 GLN 14 1HE2 GLN 14 -0.057 -9.173 11.621
113 HE22 GLN 14 2HE2 GLN 14 -0.242 -7.505 12.032
114 H LYS 15 H LYS 15 -2.658 -6.938 6.930
115 HA LYS 15 HA LYS 15 -3.100 -5.418 9.230
116 HB2 LYS 15 2HB LYS 15 -3.900 -5.176 6.365
117 HB3 LYS 15 3HB LYS 15 -4.670 -4.115 7.537
118 HG2 LYS 15 2HG LYS 15 -2.866 -2.879 6.747
119 HG3 LYS 15 3HG LYS 15 -2.297 -3.526 8.288
120 HD2 LYS 15 2HD LYS 15 -1.097 -5.292 7.134
121 HD3 LYS 15 3HD LYS 15 -1.723 -4.733 5.581
122 HE2 LYS 15 2HE LYS 15 0.484 -3.890 5.766
123 HE3 LYS 15 3HE LYS 15 -0.600 -2.529 6.049
124 HZ1 LYS 15 3HZ LYS 15 0.844 -2.270 7.771
125 HZ2 LYS 15 1HZ LYS 15 1.159 -3.926 7.927
126 HZ3 LYS 15 2HZ LYS 15 -0.285 -3.279 8.525
127 H GLU 16 H GLU 16 -5.367 -7.301 7.259
128 HA GLU 16 HA GLU 16 -7.640 -6.599 8.855
129 HB2 GLU 16 2HB GLU 16 -7.125 -8.498 6.603
130 HB3 GLU 16 3HB GLU 16 -8.592 -8.679 7.554
131 HG2 GLU 16 2HG GLU 16 -9.012 -6.215 7.075
132 HG3 GLU 16 3HG GLU 16 -7.745 -6.358 5.858
133 H GLY 17 H GLY 17 -7.540 -7.198 10.951
134 HA2 GLY 17 2HA GLY 17 -8.152 -8.916 12.508
135 HA3 GLY 17 3HA GLY 17 -7.333 -10.085 11.482
136 H LEU 18 H LEU 18 -6.058 -10.909 13.129
137 HA LEU 18 HA LEU 18 -4.578 -9.441 14.977
138 HB2 LEU 18 2HB LEU 18 -3.472 -11.415 15.492
139 HB3 LEU 18 3HB LEU 18 -5.026 -11.959 14.864
140 HG LEU 18 HG LEU 18 -2.459 -11.915 13.280
141 HD11 LEU 18 1HD1 LEU 18 -2.084 -13.563 14.874
142 HD12 LEU 18 2HD1 LEU 18 -2.776 -14.457 13.521
143 HD13 LEU 18 3HD1 LEU 18 -3.779 -14.050 14.913
144 HD21 LEU 18 3HD2 LEU 18 -3.997 -13.628 11.978
145 HD22 LEU 18 1HD2 LEU 18 -4.061 -11.894 11.656
146 HD23 LEU 18 2HD2 LEU 18 -5.278 -12.645 12.689
Start of MODEL 12
1 H1 VAL 1 H VAL 1 1.104 0.742 -0.095
2 HA VAL 1 HA VAL 1 1.019 1.142 -2.863
3 HB VAL 1 HB VAL 1 3.311 -0.067 -1.312
4 HG11 VAL 1 1HG1 VAL 1 2.956 0.863 -4.060
5 HG12 VAL 1 2HG1 VAL 1 4.358 1.559 -3.245
6 HG13 VAL 1 3HG1 VAL 1 4.188 -0.192 -3.368
7 HG21 VAL 1 3HG2 VAL 1 2.418 2.783 -1.634
8 HG22 VAL 1 1HG2 VAL 1 2.793 1.906 -0.151
9 HG23 VAL 1 2HG2 VAL 1 4.089 2.365 -1.256
10 H PHE 2 H PHE 2 1.677 -1.819 -1.006
11 HA PHE 2 HA PHE 2 2.138 -3.541 -3.138
12 HB2 PHE 2 2HB PHE 2 1.407 -3.817 -0.306
13 HB3 PHE 2 3HB PHE 2 0.885 -5.162 -1.316
14 HD1 PHE 2 HD1 PHE 2 3.921 -3.031 -0.880
15 HD2 PHE 2 HD2 PHE 2 2.324 -6.932 -1.469
16 HE1 PHE 2 HE1 PHE 2 6.193 -3.970 -0.794
17 HE2 PHE 2 HE2 PHE 2 4.594 -7.878 -1.383
18 HZ PHE 2 HZ PHE 2 6.532 -6.397 -1.044
19 H ALA 3 H ALA 3 -0.908 -2.587 -1.620
20 HA ALA 3 HA ALA 3 -2.594 -4.349 -3.014
21 HB1 ALA 3 1HB ALA 3 -3.803 -3.445 -1.347
22 HB2 ALA 3 2HB ALA 3 -2.927 -1.915 -1.399
23 HB3 ALA 3 3HB ALA 3 -4.216 -2.233 -2.560
24 H SER 4 H SER 4 -1.700 -0.974 -3.709
25 HA SER 4 HA SER 4 -3.207 -0.744 -6.077
26 HB2 SER 4 2HB SER 4 -0.701 0.740 -5.248
27 HB3 SER 4 3HB SER 4 -1.786 1.223 -6.551
28 HG SER 4 HG SER 4 -3.381 1.618 -5.068
29 H LEU 5 H LEU 5 0.233 -1.487 -5.565
30 HA LEU 5 HA LEU 5 0.786 -1.878 -8.331
31 HB2 LEU 5 2HB LEU 5 2.245 -1.789 -5.904
32 HB3 LEU 5 3HB LEU 5 2.628 -3.313 -6.700
33 HG LEU 5 HG LEU 5 2.784 -1.276 -8.660
34 HD11 LEU 5 1HD1 LEU 5 3.003 0.380 -6.942
35 HD12 LEU 5 2HD1 LEU 5 4.590 0.106 -7.659
36 HD13 LEU 5 3HD1 LEU 5 4.200 -0.595 -6.089
37 HD21 LEU 5 3HD2 LEU 5 5.354 -1.962 -8.099
38 HD22 LEU 5 1HD2 LEU 5 4.260 -2.902 -9.114
39 HD23 LEU 5 2HD2 LEU 5 4.470 -3.327 -7.415
40 HA PRO 6 HA PRO 6 -0.601 -5.998 -8.964
41 HB2 PRO 6 2HB PRO 6 1.173 -6.829 -10.844
42 HB3 PRO 6 3HB PRO 6 -0.123 -5.677 -11.188
43 HG2 PRO 6 2HG PRO 6 2.772 -5.160 -10.626
44 HG3 PRO 6 3HG PRO 6 1.721 -4.423 -11.849
45 HD2 PRO 6 2HD PRO 6 2.331 -3.188 -9.518
46 HD3 PRO 6 3HD PRO 6 0.772 -2.965 -10.337
47 H GLY 7 H GLY 7 0.373 -6.268 -6.629
48 HA2 GLY 7 2HA GLY 7 2.416 -8.392 -6.817
49 HA3 GLY 7 3HA GLY 7 2.463 -7.183 -5.543
50 H ILE 8 H ILE 8 2.476 -9.203 -4.220
51 HA ILE 8 HA ILE 8 0.035 -10.709 -4.044
52 HB ILE 8 HB ILE 8 1.053 -11.871 -2.196
53 HG12 ILE 8 2HG1 ILE 8 3.212 -9.755 -2.325
54 HG13 ILE 8 3HG1 ILE 8 2.028 -9.945 -1.037
55 HG21 ILE 8 1HG2 ILE 8 3.215 -11.342 -4.223
56 HG22 ILE 8 2HG2 ILE 8 2.947 -12.813 -3.290
57 HG23 ILE 8 3HG2 ILE 8 1.798 -12.342 -4.542
58 HD11 ILE 8 3HD1 ILE 8 3.698 -11.054 -0.038
59 HD12 ILE 8 1HD1 ILE 8 3.137 -12.396 -1.035
60 HD13 ILE 8 2HD1 ILE 8 4.509 -11.421 -1.560
61 H ILE 9 H ILE 9 -0.821 -11.017 -1.662
62 HA ILE 9 HA ILE 9 -1.295 -8.333 -0.539
63 HB ILE 9 HB ILE 9 -3.524 -9.473 0.246
64 HG12 ILE 9 2HG1 ILE 9 -4.405 -11.050 -1.430
65 HG13 ILE 9 3HG1 ILE 9 -2.851 -11.038 -2.256
66 HG21 ILE 9 1HG2 ILE 9 -4.269 -8.902 -2.334
67 HG22 ILE 9 2HG2 ILE 9 -4.093 -7.730 -1.029
68 HG23 ILE 9 3HG2 ILE 9 -2.762 -8.005 -2.153
69 HD11 ILE 9 3HD1 ILE 9 -3.142 -13.027 -0.879
70 HD12 ILE 9 1HD1 ILE 9 -1.794 -12.039 -0.317
71 HD13 ILE 9 2HD1 ILE 9 -3.331 -12.011 0.550
72 H PHE 10 H PHE 10 0.606 -10.590 0.151
73 HA PHE 10 HA PHE 10 -0.147 -11.885 2.494
74 HB2 PHE 10 2HB PHE 10 2.057 -11.970 0.992
75 HB3 PHE 10 3HB PHE 10 2.660 -10.916 2.267
76 HD1 PHE 10 HD1 PHE 10 0.593 -14.022 2.076
77 HD2 PHE 10 HD2 PHE 10 3.866 -11.989 3.883
78 HE1 PHE 10 HE1 PHE 10 1.031 -15.990 3.486
79 HE2 PHE 10 HE2 PHE 10 4.311 -13.954 5.295
80 HZ PHE 10 HZ PHE 10 2.893 -15.958 5.098
81 H THR 11 H THR 11 1.525 -8.768 2.114
82 HA THR 11 HA THR 11 1.743 -8.157 4.840
83 HB THR 11 HB THR 11 3.021 -6.915 3.202
84 HG1 THR 11 HG1 THR 11 2.911 -5.161 4.398
85 HG21 THR 11 3HG2 THR 11 2.100 -5.504 1.561
86 HG22 THR 11 1HG2 THR 11 0.501 -5.543 2.302
87 HG23 THR 11 2HG2 THR 11 1.128 -6.973 1.481
88 H ARG 12 H ARG 12 -0.834 -7.516 2.510
89 HA ARG 12 HA ARG 12 -2.409 -5.795 4.018
90 HB2 ARG 12 2HB ARG 12 -2.921 -7.720 1.809
91 HB3 ARG 12 3HB ARG 12 -4.316 -7.119 2.696
92 HG2 ARG 12 2HG ARG 12 -4.121 -5.645 0.918
93 HG3 ARG 12 3HG ARG 12 -3.341 -4.787 2.249
94 HD2 ARG 12 2HD ARG 12 -1.189 -5.975 1.324
95 HD3 ARG 12 3HD ARG 12 -2.137 -6.066 -0.160
96 HE ARG 12 HE ARG 12 -1.739 -3.846 -0.465
97 HH11 ARG 12 1HH1 ARG 12 -1.354 -4.577 2.917
98 HH12 ARG 12 2HH1 ARG 12 -0.830 -2.980 3.336
99 HH21 ARG 12 1HH2 ARG 12 -1.050 -1.740 0.074
100 HH22 ARG 12 2HH2 ARG 12 -0.658 -1.367 1.719
101 H SER 13 H SER 13 -2.339 -9.337 3.985
102 HA SER 13 HA SER 13 -4.495 -9.725 5.762
103 HB2 SER 13 2HB SER 13 -3.237 -11.423 4.222
104 HB3 SER 13 3HB SER 13 -2.187 -11.640 5.622
105 HG SER 13 HG SER 13 -3.721 -13.069 6.046
106 H GLN 14 H GLN 14 -1.001 -9.470 6.293
107 HA GLN 14 HA GLN 14 -1.028 -10.001 9.053
108 HB2 GLN 14 2HB GLN 14 0.955 -9.814 7.359
109 HB3 GLN 14 3HB GLN 14 0.957 -8.120 7.829
110 HG2 GLN 14 2HG GLN 14 2.488 -8.988 9.287
111 HG3 GLN 14 3HG GLN 14 1.013 -9.080 10.249
112 HE21 GLN 14 1HE2 GLN 14 1.460 -10.791 11.508
113 HE22 GLN 14 2HE2 GLN 14 1.774 -12.386 10.921
114 H LYS 15 H LYS 15 -1.260 -6.967 7.241
115 HA LYS 15 HA LYS 15 -1.207 -5.208 9.418
116 HB2 LYS 15 2HB LYS 15 -1.183 -4.796 6.814
117 HB3 LYS 15 3HB LYS 15 -2.919 -4.621 7.037
118 HG2 LYS 15 2HG LYS 15 -1.103 -3.093 8.826
119 HG3 LYS 15 3HG LYS 15 -1.302 -2.554 7.157
120 HD2 LYS 15 2HD LYS 15 -3.735 -3.195 8.754
121 HD3 LYS 15 3HD LYS 15 -2.887 -1.680 9.073
122 HE2 LYS 15 2HE LYS 15 -4.373 -1.010 7.457
123 HE3 LYS 15 3HE LYS 15 -2.980 -1.439 6.465
124 HZ1 LYS 15 3HZ LYS 15 -5.341 -2.317 5.872
125 HZ2 LYS 15 1HZ LYS 15 -5.000 -3.489 7.043
126 HZ3 LYS 15 2HZ LYS 15 -3.993 -3.323 5.694
127 H GLU 16 H GLU 16 -3.970 -6.715 7.762
128 HA GLU 16 HA GLU 16 -5.981 -5.536 9.323
129 HB2 GLU 16 2HB GLU 16 -5.824 -7.984 7.609
130 HB3 GLU 16 3HB GLU 16 -7.242 -7.731 8.618
131 HG2 GLU 16 2HG GLU 16 -6.253 -5.624 6.732
132 HG3 GLU 16 3HG GLU 16 -7.335 -6.913 6.209
133 H GLY 17 H GLY 17 -4.322 -8.664 9.662
134 HA2 GLY 17 2HA GLY 17 -3.777 -9.065 12.131
135 HA3 GLY 17 3HA GLY 17 -5.516 -8.920 12.345
136 H LEU 18 H LEU 18 -6.870 -10.474 11.123
137 HA LEU 18 HA LEU 18 -6.262 -13.090 11.708
138 HB2 LEU 18 2HB LEU 18 -7.952 -13.595 9.802
139 HB3 LEU 18 3HB LEU 18 -8.485 -12.749 11.254
140 HG LEU 18 HG LEU 18 -8.483 -10.641 10.083
141 HD11 LEU 18 1HD1 LEU 18 -7.353 -12.224 7.785
142 HD12 LEU 18 2HD1 LEU 18 -6.603 -10.875 8.637
143 HD13 LEU 18 3HD1 LEU 18 -8.022 -10.600 7.628
144 HD21 LEU 18 3HD2 LEU 18 -10.551 -11.646 9.832
145 HD22 LEU 18 1HD2 LEU 18 -9.917 -12.937 8.811
146 HD23 LEU 18 2HD2 LEU 18 -10.094 -11.307 8.162
Start of MODEL 13
1 H1 VAL 1 H VAL 1 -0.238 -0.540 1.999
2 HA VAL 1 HA VAL 1 -0.586 0.540 -0.578
3 HB VAL 1 HB VAL 1 1.970 -0.485 0.666
4 HG11 VAL 1 1HG1 VAL 1 2.568 1.667 -0.948
5 HG12 VAL 1 2HG1 VAL 1 2.823 -0.033 -1.347
6 HG13 VAL 1 3HG1 VAL 1 1.354 0.787 -1.876
7 HG21 VAL 1 3HG2 VAL 1 2.263 2.007 1.164
8 HG22 VAL 1 1HG2 VAL 1 0.527 2.139 0.882
9 HG23 VAL 1 2HG2 VAL 1 1.135 1.104 2.174
10 H PHE 2 H PHE 2 0.719 -2.589 0.491
11 HA PHE 2 HA PHE 2 1.407 -3.615 -2.000
12 HB2 PHE 2 2HB PHE 2 0.831 -4.731 0.669
13 HB3 PHE 2 3HB PHE 2 0.614 -5.855 -0.669
14 HD1 PHE 2 HD1 PHE 2 3.079 -3.342 0.564
15 HD2 PHE 2 HD2 PHE 2 2.426 -7.088 -1.349
16 HE1 PHE 2 HE1 PHE 2 5.508 -3.732 0.507
17 HE2 PHE 2 HE2 PHE 2 4.854 -7.484 -1.408
18 HZ PHE 2 HZ PHE 2 6.398 -5.805 -0.479
19 H ALA 3 H ALA 3 -1.696 -3.625 -0.320
20 HA ALA 3 HA ALA 3 -3.128 -5.347 -1.958
21 HB1 ALA 3 1HB ALA 3 -4.423 -2.880 -0.880
22 HB2 ALA 3 2HB ALA 3 -5.040 -4.531 -0.958
23 HB3 ALA 3 3HB ALA 3 -3.804 -4.107 0.226
24 H SER 4 H SER 4 -2.747 -1.820 -2.268
25 HA SER 4 HA SER 4 -4.259 -1.581 -4.638
26 HB2 SER 4 2HB SER 4 -2.316 0.151 -3.174
27 HB3 SER 4 3HB SER 4 -2.723 0.578 -4.836
28 HG SER 4 HG SER 4 -4.724 1.039 -4.249
29 H LEU 5 H LEU 5 -0.816 -2.084 -4.043
30 HA LEU 5 HA LEU 5 -0.093 -1.913 -6.813
31 HB2 LEU 5 2HB LEU 5 1.272 -2.487 -4.258
32 HB3 LEU 5 3HB LEU 5 1.996 -3.192 -5.702
33 HG LEU 5 HG LEU 5 1.464 -0.465 -6.261
34 HD11 LEU 5 1HD1 LEU 5 3.134 -0.739 -3.780
35 HD12 LEU 5 2HD1 LEU 5 1.420 -0.330 -3.722
36 HD13 LEU 5 3HD1 LEU 5 2.552 0.732 -4.560
37 HD21 LEU 5 3HD2 LEU 5 3.236 -1.363 -7.395
38 HD22 LEU 5 1HD2 LEU 5 3.825 -2.257 -5.994
39 HD23 LEU 5 2HD2 LEU 5 4.094 -0.517 -6.107
40 HA PRO 6 HA PRO 6 -0.753 -6.030 -8.178
41 HB2 PRO 6 2HB PRO 6 1.452 -6.512 -9.686
42 HB3 PRO 6 3HB PRO 6 0.165 -5.412 -10.192
43 HG2 PRO 6 2HG PRO 6 2.811 -4.784 -8.941
44 HG3 PRO 6 3HG PRO 6 1.989 -3.973 -10.287
45 HD2 PRO 6 2HD PRO 6 1.967 -2.993 -7.763
46 HD3 PRO 6 3HD PRO 6 0.609 -2.772 -8.885
47 H GLY 7 H GLY 7 1.824 -5.297 -6.103
48 HA2 GLY 7 2HA GLY 7 3.323 -7.610 -5.944
49 HA3 GLY 7 3HA GLY 7 2.960 -6.577 -4.570
50 H ILE 8 H ILE 8 3.278 -9.175 -4.046
51 HA ILE 8 HA ILE 8 0.963 -10.777 -4.257
52 HB ILE 8 HB ILE 8 1.970 -12.215 -2.586
53 HG12 ILE 8 2HG1 ILE 8 3.961 -9.972 -2.181
54 HG13 ILE 8 3HG1 ILE 8 2.732 -10.477 -1.027
55 HG21 ILE 8 1HG2 ILE 8 4.053 -11.090 -4.454
56 HG22 ILE 8 2HG2 ILE 8 4.095 -12.677 -3.687
57 HG23 ILE 8 3HG2 ILE 8 2.842 -12.302 -4.870
58 HD11 ILE 8 3HD1 ILE 8 4.168 -12.788 -1.627
59 HD12 ILE 8 1HD1 ILE 8 5.374 -11.512 -1.458
60 HD13 ILE 8 2HD1 ILE 8 4.239 -11.832 -0.146
61 H ILE 9 H ILE 9 -0.707 -11.172 -2.841
62 HA ILE 9 HA ILE 9 -1.349 -9.010 -1.029
63 HB ILE 9 HB ILE 9 -3.526 -9.798 -0.996
64 HG12 ILE 9 2HG1 ILE 9 -3.081 -12.037 -0.160
65 HG13 ILE 9 3HG1 ILE 9 -4.165 -12.131 -1.544
66 HG21 ILE 9 1HG2 ILE 9 -4.135 -10.312 -3.274
67 HG22 ILE 9 2HG2 ILE 9 -2.812 -9.146 -3.269
68 HG23 ILE 9 3HG2 ILE 9 -2.491 -10.842 -3.628
69 HD11 ILE 9 3HD1 ILE 9 -1.208 -12.686 -1.560
70 HD12 ILE 9 1HD1 ILE 9 -2.502 -13.882 -1.633
71 HD13 ILE 9 2HD1 ILE 9 -2.271 -12.749 -2.966
72 H PHE 10 H PHE 10 0.582 -11.557 -0.670
73 HA PHE 10 HA PHE 10 -0.318 -12.857 1.658
74 HB2 PHE 10 2HB PHE 10 1.607 -13.489 0.038
75 HB3 PHE 10 3HB PHE 10 2.596 -12.440 1.048
76 HD1 PHE 10 HD1 PHE 10 2.299 -12.919 3.661
77 HD2 PHE 10 HD2 PHE 10 1.599 -15.722 0.536
78 HE1 PHE 10 HE1 PHE 10 2.643 -14.768 5.247
79 HE2 PHE 10 HE2 PHE 10 1.941 -17.576 2.117
80 HZ PHE 10 HZ PHE 10 2.463 -17.100 4.476
81 H THR 11 H THR 11 1.655 -9.972 1.173
82 HA THR 11 HA THR 11 2.387 -9.581 3.868
83 HB THR 11 HB THR 11 2.987 -7.322 3.245
84 HG1 THR 11 HG1 THR 11 1.481 -7.847 0.881
85 HG21 THR 11 3HG2 THR 11 4.065 -9.561 2.145
86 HG22 THR 11 1HG2 THR 11 4.727 -7.939 1.948
87 HG23 THR 11 2HG2 THR 11 3.685 -8.623 0.701
88 H ARG 12 H ARG 12 -0.235 -8.147 1.930
89 HA ARG 12 HA ARG 12 -1.337 -6.623 4.035
90 HB2 ARG 12 2HB ARG 12 -3.340 -6.466 2.582
91 HB3 ARG 12 3HB ARG 12 -1.847 -6.092 1.731
92 HG2 ARG 12 2HG ARG 12 -1.842 -8.377 0.800
93 HG3 ARG 12 3HG ARG 12 -3.392 -8.671 1.592
94 HD2 ARG 12 2HD ARG 12 -3.226 -6.247 -0.082
95 HD3 ARG 12 3HD ARG 12 -3.144 -7.785 -0.939
96 HE ARG 12 HE ARG 12 -5.300 -7.631 0.956
97 HH11 ARG 12 1HH1 ARG 12 -4.296 -6.929 -2.303
98 HH12 ARG 12 2HH1 ARG 12 -5.907 -6.937 -2.940
99 HH21 ARG 12 1HH2 ARG 12 -7.426 -7.643 0.130
100 HH22 ARG 12 2HH2 ARG 12 -7.687 -7.342 -1.555
101 H SER 13 H SER 13 -1.998 -9.880 2.842
102 HA SER 13 HA SER 13 -4.299 -10.419 4.331
103 HB2 SER 13 2HB SER 13 -3.394 -11.843 2.482
104 HB3 SER 13 3HB SER 13 -2.144 -12.410 3.589
105 HG SER 13 HG SER 13 -4.830 -13.046 3.469
106 H GLN 14 H GLN 14 -0.888 -11.034 5.127
107 HA GLN 14 HA GLN 14 -1.267 -12.238 7.606
108 HB2 GLN 14 2HB GLN 14 0.896 -11.830 6.181
109 HB3 GLN 14 3HB GLN 14 1.036 -10.377 7.161
110 HG2 GLN 14 2HG GLN 14 1.095 -11.691 9.180
111 HG3 GLN 14 3HG GLN 14 0.823 -13.170 8.259
112 HE21 GLN 14 1HE2 GLN 14 3.107 -10.776 9.226
113 HE22 GLN 14 2HE2 GLN 14 4.513 -11.549 8.584
114 H LYS 15 H LYS 15 -0.956 -8.807 6.781
115 HA LYS 15 HA LYS 15 -1.002 -7.825 9.423
116 HB2 LYS 15 2HB LYS 15 -0.260 -6.499 7.476
117 HB3 LYS 15 3HB LYS 15 -1.916 -6.459 6.885
118 HG2 LYS 15 2HG LYS 15 -1.417 -4.378 7.959
119 HG3 LYS 15 3HG LYS 15 -2.581 -5.265 8.946
120 HD2 LYS 15 2HD LYS 15 -0.938 -5.853 10.533
121 HD3 LYS 15 3HD LYS 15 0.381 -5.389 9.456
122 HE2 LYS 15 2HE LYS 15 -0.619 -3.028 9.579
123 HE3 LYS 15 3HE LYS 15 -1.523 -3.629 10.968
124 HZ1 LYS 15 3HZ LYS 15 0.736 -2.500 11.352
125 HZ2 LYS 15 1HZ LYS 15 1.402 -3.967 10.835
126 HZ3 LYS 15 2HZ LYS 15 0.396 -3.927 12.194
127 H GLU 16 H GLU 16 -3.597 -8.182 7.014
128 HA GLU 16 HA GLU 16 -5.865 -8.204 7.209
129 HB2 GLU 16 2HB GLU 16 -4.896 -10.065 8.938
130 HB3 GLU 16 3HB GLU 16 -5.839 -9.062 10.032
131 HG2 GLU 16 2HG GLU 16 -7.818 -9.391 8.675
132 HG3 GLU 16 3HG GLU 16 -6.886 -10.332 7.512
133 H GLY 17 H GLY 17 -4.586 -5.741 7.824
134 HA2 GLY 17 2HA GLY 17 -6.000 -4.659 10.133
135 HA3 GLY 17 3HA GLY 17 -4.819 -3.813 9.144
136 H LEU 18 H LEU 18 -5.918 -2.005 8.602
137 HA LEU 18 HA LEU 18 -8.632 -1.770 8.077
138 HB2 LEU 18 2HB LEU 18 -8.131 0.338 7.055
139 HB3 LEU 18 3HB LEU 18 -7.078 0.111 8.450
140 HG LEU 18 HG LEU 18 -6.042 -0.613 5.752
141 HD11 LEU 18 1HD1 LEU 18 -6.325 2.202 6.788
142 HD12 LEU 18 2HD1 LEU 18 -7.021 1.534 5.311
143 HD13 LEU 18 3HD1 LEU 18 -5.274 1.724 5.455
144 HD21 LEU 18 3HD2 LEU 18 -4.217 -0.885 6.985
145 HD22 LEU 18 1HD2 LEU 18 -5.039 -0.254 8.412
146 HD23 LEU 18 2HD2 LEU 18 -4.217 0.850 7.309
Start of MODEL 14
1 H1 VAL 1 H VAL 1 1.011 0.460 0.746
2 HA VAL 1 HA VAL 1 1.063 1.313 -1.926
3 HB VAL 1 HB VAL 1 3.332 -0.032 -0.457
4 HG11 VAL 1 1HG1 VAL 1 3.595 0.340 -2.907
5 HG12 VAL 1 2HG1 VAL 1 3.399 2.070 -2.617
6 HG13 VAL 1 3HG1 VAL 1 4.770 1.207 -1.919
7 HG21 VAL 1 3HG2 VAL 1 3.967 2.336 0.146
8 HG22 VAL 1 1HG2 VAL 1 2.342 2.808 -0.351
9 HG23 VAL 1 2HG2 VAL 1 2.562 1.683 0.989
10 H PHE 2 H PHE 2 1.745 -1.877 -0.512
11 HA PHE 2 HA PHE 2 2.400 -3.191 -2.895
12 HB2 PHE 2 2HB PHE 2 1.808 -3.932 -0.150
13 HB3 PHE 2 3HB PHE 2 1.170 -5.113 -1.289
14 HD1 PHE 2 HD1 PHE 2 4.290 -3.100 -0.881
15 HD2 PHE 2 HD2 PHE 2 2.542 -6.886 -1.735
16 HE1 PHE 2 HE1 PHE 2 6.535 -4.081 -1.112
17 HE2 PHE 2 HE2 PHE 2 4.784 -7.873 -1.965
18 HZ PHE 2 HZ PHE 2 6.784 -6.471 -1.653
19 H ALA 3 H ALA 3 -0.712 -2.656 -1.319
20 HA ALA 3 HA ALA 3 -2.322 -4.318 -2.848
21 HB1 ALA 3 1HB ALA 3 -3.838 -2.012 -2.381
22 HB2 ALA 3 2HB ALA 3 -3.774 -3.474 -1.396
23 HB3 ALA 3 3HB ALA 3 -2.702 -2.121 -1.036
24 H SER 4 H SER 4 -1.478 -0.910 -3.447
25 HA SER 4 HA SER 4 -2.896 -0.692 -5.877
26 HB2 SER 4 2HB SER 4 -0.434 0.916 -5.218
27 HB3 SER 4 3HB SER 4 -1.856 1.412 -6.136
28 HG SER 4 HG SER 4 -2.474 2.203 -4.288
29 H LEU 5 H LEU 5 0.439 -1.575 -5.130
30 HA LEU 5 HA LEU 5 1.275 -1.716 -7.857
31 HB2 LEU 5 2HB LEU 5 2.424 -2.359 -5.214
32 HB3 LEU 5 3HB LEU 5 3.082 -3.247 -6.586
33 HG LEU 5 HG LEU 5 3.753 -1.177 -7.648
34 HD11 LEU 5 1HD1 LEU 5 3.525 0.966 -6.408
35 HD12 LEU 5 2HD1 LEU 5 2.455 0.144 -5.272
36 HD13 LEU 5 3HD1 LEU 5 1.992 0.295 -6.967
37 HD21 LEU 5 3HD2 LEU 5 5.134 -0.304 -5.499
38 HD22 LEU 5 1HD2 LEU 5 5.565 -1.737 -6.433
39 HD23 LEU 5 2HD2 LEU 5 4.644 -1.904 -4.937
40 HA PRO 6 HA PRO 6 0.017 -5.746 -9.054
41 HB2 PRO 6 2HB PRO 6 2.180 -6.661 -10.417
42 HB3 PRO 6 3HB PRO 6 1.113 -5.398 -11.043
43 HG2 PRO 6 2HG PRO 6 3.768 -5.133 -9.686
44 HG3 PRO 6 3HG PRO 6 3.150 -4.279 -11.111
45 HD2 PRO 6 2HD PRO 6 3.175 -3.166 -8.643
46 HD3 PRO 6 3HD PRO 6 1.923 -2.794 -9.845
47 H GLY 7 H GLY 7 2.583 -5.319 -6.882
48 HA2 GLY 7 2HA GLY 7 3.672 -7.834 -6.532
49 HA3 GLY 7 3HA GLY 7 3.431 -6.675 -5.233
50 H ILE 8 H ILE 8 3.289 -9.237 -4.536
51 HA ILE 8 HA ILE 8 0.781 -10.490 -4.794
52 HB ILE 8 HB ILE 8 1.442 -11.919 -2.968
53 HG12 ILE 8 2HG1 ILE 8 3.657 -9.914 -2.482
54 HG13 ILE 8 3HG1 ILE 8 2.275 -10.205 -1.431
55 HG21 ILE 8 1HG2 ILE 8 3.245 -12.926 -3.985
56 HG22 ILE 8 2HG2 ILE 8 2.639 -11.904 -5.287
57 HG23 ILE 8 3HG2 ILE 8 4.037 -11.392 -4.342
58 HD11 ILE 8 3HD1 ILE 8 3.366 -12.698 -1.661
59 HD12 ILE 8 1HD1 ILE 8 4.788 -11.655 -1.672
60 HD13 ILE 8 2HD1 ILE 8 3.643 -11.573 -0.332
61 H ILE 9 H ILE 9 -1.067 -10.402 -3.612
62 HA ILE 9 HA ILE 9 -1.436 -8.078 -1.928
63 HB ILE 9 HB ILE 9 -3.719 -8.394 -2.135
64 HG12 ILE 9 2HG1 ILE 9 -3.855 -10.639 -1.214
65 HG13 ILE 9 3HG1 ILE 9 -4.771 -10.565 -2.715
66 HG21 ILE 9 1HG2 ILE 9 -4.167 -8.803 -4.449
67 HG22 ILE 9 2HG2 ILE 9 -2.586 -8.032 -4.326
68 HG23 ILE 9 3HG2 ILE 9 -2.700 -9.768 -4.614
69 HD11 ILE 9 3HD1 ILE 9 -3.515 -12.625 -2.574
70 HD12 ILE 9 1HD1 ILE 9 -2.906 -11.623 -3.891
71 HD13 ILE 9 2HD1 ILE 9 -2.015 -11.720 -2.372
72 H PHE 10 H PHE 10 -0.131 -10.947 -1.302
73 HA PHE 10 HA PHE 10 -1.483 -12.063 0.847
74 HB2 PHE 10 2HB PHE 10 0.678 -12.831 -0.396
75 HB3 PHE 10 3HB PHE 10 1.513 -11.896 0.841
76 HD1 PHE 10 HD2 PHE 10 0.451 -12.394 3.307
77 HD2 PHE 10 HD1 PHE 10 0.560 -15.075 0.003
78 HE1 PHE 10 HE2 PHE 10 0.297 -14.301 4.854
79 HE2 PHE 10 HE1 PHE 10 0.405 -16.986 1.544
80 HZ PHE 10 HZ PHE 10 0.274 -16.601 3.973
81 H THR 11 H THR 11 0.976 -9.500 0.862
82 HA THR 11 HA THR 11 1.181 -9.110 3.601
83 HB THR 11 HB THR 11 2.716 -8.004 2.110
84 HG1 THR 11 HG1 THR 11 2.364 -5.754 2.929
85 HG21 THR 11 3HG2 THR 11 0.408 -6.289 1.190
86 HG22 THR 11 1HG2 THR 11 1.089 -7.625 0.264
87 HG23 THR 11 2HG2 THR 11 2.078 -6.211 0.629
88 H ARG 12 H ARG 12 -1.171 -7.799 1.313
89 HA ARG 12 HA ARG 12 -2.431 -6.013 3.093
90 HB2 ARG 12 2HB ARG 12 -3.395 -7.393 0.590
91 HB3 ARG 12 3HB ARG 12 -4.377 -6.232 1.472
92 HG2 ARG 12 2HG ARG 12 -1.687 -5.682 0.237
93 HG3 ARG 12 3HG ARG 12 -3.251 -5.196 -0.419
94 HD2 ARG 12 2HD ARG 12 -2.745 -3.271 0.666
95 HD3 ARG 12 3HD ARG 12 -3.477 -4.135 2.017
96 HE ARG 12 HE ARG 12 -0.884 -4.824 2.221
97 HH11 ARG 12 1HH1 ARG 12 -2.483 -1.752 1.867
98 HH12 ARG 12 2HH1 ARG 12 -1.271 -0.873 2.740
99 HH21 ARG 12 1HH2 ARG 12 0.718 -3.679 3.371
100 HH22 ARG 12 2HH2 ARG 12 0.550 -1.970 3.594
101 H SER 13 H SER 13 -3.234 -9.346 2.150
102 HA SER 13 HA SER 13 -5.521 -9.576 3.783
103 HB2 SER 13 2HB SER 13 -4.964 -11.097 1.880
104 HB3 SER 13 3HB SER 13 -3.690 -11.807 2.871
105 HG SER 13 HG SER 13 -5.188 -13.040 3.650
106 H GLN 14 H GLN 14 -2.121 -10.387 4.331
107 HA GLN 14 HA GLN 14 -2.389 -11.657 6.801
108 HB2 GLN 14 2HB GLN 14 -0.310 -11.669 5.498
109 HB3 GLN 14 3HB GLN 14 -0.101 -9.950 5.803
110 HG2 GLN 14 2HG GLN 14 1.333 -11.100 7.287
111 HG3 GLN 14 3HG GLN 14 -0.012 -10.484 8.245
112 HE21 GLN 14 1HE2 GLN 14 -0.600 -11.863 9.743
113 HE22 GLN 14 2HE2 GLN 14 -0.652 -13.583 9.590
114 H LYS 15 H LYS 15 -1.791 -8.226 6.077
115 HA LYS 15 HA LYS 15 -1.617 -7.276 8.680
116 HB2 LYS 15 2HB LYS 15 -1.111 -5.938 6.664
117 HB3 LYS 15 3HB LYS 15 -2.829 -5.868 6.293
118 HG2 LYS 15 2HG LYS 15 -2.956 -4.865 8.731
119 HG3 LYS 15 3HG LYS 15 -1.276 -4.448 8.386
120 HD2 LYS 15 2HD LYS 15 -2.415 -2.577 7.634
121 HD3 LYS 15 3HD LYS 15 -2.233 -3.523 6.155
122 HE2 LYS 15 2HE LYS 15 -4.457 -2.946 6.048
123 HE3 LYS 15 3HE LYS 15 -4.549 -4.512 6.853
124 HZ1 LYS 15 3HZ LYS 15 -5.787 -2.396 7.780
125 HZ2 LYS 15 1HZ LYS 15 -4.297 -2.140 8.540
126 HZ3 LYS 15 2HZ LYS 15 -5.150 -3.575 8.813
127 H GLU 16 H GLU 16 -4.505 -7.555 6.617
128 HA GLU 16 HA GLU 16 -6.374 -6.528 8.394
129 HB2 GLU 16 2HB GLU 16 -6.551 -7.414 5.895
130 HB3 GLU 16 3HB GLU 16 -7.149 -8.857 6.703
131 HG2 GLU 16 2HG GLU 16 -8.309 -6.210 7.416
132 HG3 GLU 16 3HG GLU 16 -8.788 -6.987 5.908
133 H GLY 17 H GLY 17 -7.885 -7.541 9.806
134 HA2 GLY 17 2HA GLY 17 -8.679 -9.464 11.009
135 HA3 GLY 17 3HA GLY 17 -7.111 -10.217 10.760
136 H LEU 18 H LEU 18 -5.249 -8.814 11.739
137 HA LEU 18 HA LEU 18 -6.103 -7.920 14.414
138 HB2 LEU 18 2HB LEU 18 -4.845 -10.178 14.149
139 HB3 LEU 18 3HB LEU 18 -3.427 -9.159 13.908
140 HG LEU 18 HG LEU 18 -5.128 -8.790 16.341
141 HD11 LEU 18 1HD1 LEU 18 -4.091 -10.506 17.521
142 HD12 LEU 18 2HD1 LEU 18 -2.838 -10.722 16.299
143 HD13 LEU 18 3HD1 LEU 18 -4.488 -11.251 15.972
144 HD21 LEU 18 3HD2 LEU 18 -2.375 -8.610 16.856
145 HD22 LEU 18 1HD2 LEU 18 -3.543 -7.293 16.750
146 HD23 LEU 18 2HD2 LEU 18 -2.643 -7.790 15.317
Start of MODEL 15
1 H1 VAL 1 H VAL 1 -0.145 -0.068 1.159
2 HA VAL 1 HA VAL 1 0.186 0.980 -1.425
3 HB VAL 1 HB VAL 1 2.305 -0.413 0.214
4 HG11 VAL 1 1HG1 VAL 1 3.837 0.418 -1.205
5 HG12 VAL 1 2HG1 VAL 1 2.482 0.512 -2.331
6 HG13 VAL 1 3HG1 VAL 1 2.968 1.938 -1.414
7 HG21 VAL 1 3HG2 VAL 1 0.998 2.237 0.516
8 HG22 VAL 1 1HG2 VAL 1 1.636 1.142 1.742
9 HG23 VAL 1 2HG2 VAL 1 2.738 2.138 0.791
10 H PHE 2 H PHE 2 0.834 -2.281 -0.157
11 HA PHE 2 HA PHE 2 1.778 -3.409 -2.534
12 HB2 PHE 2 2HB PHE 2 0.671 -4.446 0.015
13 HB3 PHE 2 3HB PHE 2 0.658 -5.553 -1.353
14 HD1 PHE 2 HD1 PHE 2 2.895 -3.327 0.603
15 HD2 PHE 2 HD2 PHE 2 2.572 -6.736 -1.925
16 HE1 PHE 2 HE1 PHE 2 5.264 -3.849 1.010
17 HE2 PHE 2 HE2 PHE 2 4.940 -7.265 -1.520
18 HZ PHE 2 HZ PHE 2 6.290 -5.821 -0.051
19 H ALA 3 H ALA 3 -1.503 -3.073 -1.278
20 HA ALA 3 HA ALA 3 -2.878 -4.667 -3.086
21 HB1 ALA 3 1HB ALA 3 -3.698 -2.135 -1.682
22 HB2 ALA 3 2HB ALA 3 -4.809 -3.106 -2.650
23 HB3 ALA 3 3HB ALA 3 -4.048 -3.800 -1.218
24 H SER 4 H SER 4 -2.097 -1.202 -3.349
25 HA SER 4 HA SER 4 -3.255 -0.843 -5.897
26 HB2 SER 4 2HB SER 4 -0.935 0.772 -4.848
27 HB3 SER 4 3HB SER 4 -2.249 1.299 -5.900
28 HG SER 4 HG SER 4 -2.584 2.017 -3.775
29 H LEU 5 H LEU 5 0.010 -1.692 -4.858
30 HA LEU 5 HA LEU 5 1.093 -1.646 -7.515
31 HB2 LEU 5 2HB LEU 5 2.082 -2.481 -4.825
32 HB3 LEU 5 3HB LEU 5 2.963 -2.982 -6.267
33 HG LEU 5 HG LEU 5 2.386 -0.117 -5.516
34 HD11 LEU 5 1HD1 LEU 5 4.367 -1.954 -4.542
35 HD12 LEU 5 2HD1 LEU 5 4.062 -0.282 -4.074
36 HD13 LEU 5 3HD1 LEU 5 5.132 -0.636 -5.430
37 HD21 LEU 5 3HD2 LEU 5 4.155 -1.327 -7.639
38 HD22 LEU 5 1HD2 LEU 5 4.047 0.389 -7.246
39 HD23 LEU 5 2HD2 LEU 5 2.647 -0.452 -7.909
40 HA PRO 6 HA PRO 6 0.172 -5.702 -8.911
41 HB2 PRO 6 2HB PRO 6 2.464 -6.405 -10.186
42 HB3 PRO 6 3HB PRO 6 1.339 -5.201 -10.826
43 HG2 PRO 6 2HG PRO 6 3.894 -4.794 -9.319
44 HG3 PRO 6 3HG PRO 6 3.287 -3.933 -10.747
45 HD2 PRO 6 2HD PRO 6 3.103 -2.915 -8.244
46 HD3 PRO 6 3HD PRO 6 1.889 -2.591 -9.499
47 H GLY 7 H GLY 7 2.637 -5.173 -6.626
48 HA2 GLY 7 2HA GLY 7 3.853 -7.633 -6.302
49 HA3 GLY 7 3HA GLY 7 3.509 -6.523 -4.984
50 H ILE 8 H ILE 8 3.490 -9.111 -4.361
51 HA ILE 8 HA ILE 8 1.046 -10.472 -4.720
52 HB ILE 8 HB ILE 8 1.742 -11.883 -2.834
53 HG12 ILE 8 2HG1 ILE 8 4.020 -9.908 -2.569
54 HG13 ILE 8 3HG1 ILE 8 2.710 -10.128 -1.414
55 HG21 ILE 8 1HG2 ILE 8 3.034 -12.969 -4.275
56 HG22 ILE 8 2HG2 ILE 8 3.071 -11.518 -5.276
57 HG23 ILE 8 3HG2 ILE 8 4.328 -11.788 -4.069
58 HD11 ILE 8 3HD1 ILE 8 3.511 -12.532 -1.216
59 HD12 ILE 8 1HD1 ILE 8 4.962 -11.994 -2.062
60 HD13 ILE 8 2HD1 ILE 8 4.529 -11.277 -0.509
61 H ILE 9 H ILE 9 -0.729 -10.724 -3.355
62 HA ILE 9 HA ILE 9 -1.368 -8.388 -1.777
63 HB ILE 9 HB ILE 9 -3.579 -9.072 -1.815
64 HG12 ILE 9 2HG1 ILE 9 -3.292 -11.247 -0.762
65 HG13 ILE 9 3HG1 ILE 9 -4.301 -11.412 -2.195
66 HG21 ILE 9 1HG2 ILE 9 -4.072 -9.781 -4.077
67 HG22 ILE 9 2HG2 ILE 9 -2.719 -8.650 -4.083
68 HG23 ILE 9 3HG2 ILE 9 -2.424 -10.378 -4.275
69 HD11 ILE 9 3HD1 ILE 9 -1.380 -12.102 -1.988
70 HD12 ILE 9 1HD1 ILE 9 -2.728 -13.239 -2.038
71 HD13 ILE 9 2HD1 ILE 9 -2.365 -12.238 -3.444
72 H PHE 10 H PHE 10 0.398 -10.992 -1.081
73 HA PHE 10 HA PHE 10 -0.641 -12.139 1.222
74 HB2 PHE 10 2HB PHE 10 1.927 -12.009 -0.095
75 HB3 PHE 10 3HB PHE 10 2.128 -11.929 1.652
76 HD1 PHE 10 HD2 PHE 10 -0.373 -13.770 -0.398
77 HD2 PHE 10 HD1 PHE 10 2.911 -14.002 2.301
78 HE1 PHE 10 HE2 PHE 10 -0.665 -16.208 -0.257
79 HE2 PHE 10 HE1 PHE 10 2.624 -16.442 2.445
80 HZ PHE 10 HZ PHE 10 0.833 -17.548 1.166
81 H THR 11 H THR 11 1.482 -9.299 0.938
82 HA THR 11 HA THR 11 1.661 -8.714 3.669
83 HB THR 11 HB THR 11 1.617 -6.350 1.932
84 HG1 THR 11 HG1 THR 11 3.324 -8.556 1.348
85 HG21 THR 11 3HG2 THR 11 3.350 -7.596 4.000
86 HG22 THR 11 1HG2 THR 11 2.754 -5.941 3.872
87 HG23 THR 11 2HG2 THR 11 4.103 -6.473 2.868
88 H ARG 12 H ARG 12 -0.687 -7.689 1.230
89 HA ARG 12 HA ARG 12 -2.083 -5.854 2.857
90 HB2 ARG 12 2HB ARG 12 -2.854 -7.409 0.395
91 HB3 ARG 12 3HB ARG 12 -3.974 -6.312 1.190
92 HG2 ARG 12 2HG ARG 12 -1.274 -5.529 0.112
93 HG3 ARG 12 3HG ARG 12 -2.811 -5.291 -0.724
94 HD2 ARG 12 2HD ARG 12 -2.688 -3.258 0.260
95 HD3 ARG 12 3HD ARG 12 -3.398 -4.131 1.618
96 HE ARG 12 HE ARG 12 -0.601 -4.306 1.779
97 HH11 ARG 12 1HH1 ARG 12 -3.164 -1.971 2.098
98 HH12 ARG 12 2HH1 ARG 12 -2.297 -0.979 3.224
99 HH21 ARG 12 1HH2 ARG 12 0.550 -3.009 3.261
100 HH22 ARG 12 2HH2 ARG 12 -0.185 -1.570 3.884
101 H SER 13 H SER 13 -2.644 -9.286 2.141
102 HA SER 13 HA SER 13 -5.004 -9.550 3.655
103 HB2 SER 13 2HB SER 13 -3.905 -11.165 1.912
104 HB3 SER 13 3HB SER 13 -3.083 -11.831 3.323
105 HG SER 13 HG SER 13 -4.882 -12.970 3.373
106 H GLN 14 H GLN 14 -1.602 -10.113 4.477
107 HA GLN 14 HA GLN 14 -1.932 -11.160 7.026
108 HB2 GLN 14 2HB GLN 14 0.253 -9.455 5.843
109 HB3 GLN 14 3HB GLN 14 0.350 -10.106 7.474
110 HG2 GLN 14 2HG GLN 14 0.537 -12.285 6.739
111 HG3 GLN 14 3HG GLN 14 -0.186 -11.927 5.172
112 HE21 GLN 14 1HE2 GLN 14 1.869 -13.313 4.777
113 HE22 GLN 14 2HE2 GLN 14 3.288 -12.412 4.377
114 H LYS 15 H LYS 15 -1.777 -7.780 5.986
115 HA LYS 15 HA LYS 15 -1.772 -6.572 8.502
116 HB2 LYS 15 2HB LYS 15 -1.554 -5.579 6.076
117 HB3 LYS 15 3HB LYS 15 -3.290 -5.344 6.233
118 HG2 LYS 15 2HG LYS 15 -1.528 -4.382 8.425
119 HG3 LYS 15 3HG LYS 15 -1.584 -3.467 6.916
120 HD2 LYS 15 2HD LYS 15 -4.145 -4.296 8.203
121 HD3 LYS 15 3HD LYS 15 -3.247 -2.936 8.882
122 HE2 LYS 15 2HE LYS 15 -4.097 -3.177 5.998
123 HE3 LYS 15 3HE LYS 15 -4.961 -2.255 7.227
124 HZ1 LYS 15 3HZ LYS 15 -3.640 -0.554 6.779
125 HZ2 LYS 15 1HZ LYS 15 -2.743 -1.475 5.678
126 HZ3 LYS 15 2HZ LYS 15 -2.304 -1.445 7.311
127 H GLU 16 H GLU 16 -4.460 -7.698 6.502
128 HA GLU 16 HA GLU 16 -6.446 -6.757 8.371
129 HB2 GLU 16 2HB GLU 16 -6.584 -8.417 5.859
130 HB3 GLU 16 3HB GLU 16 -7.997 -8.108 6.858
131 HG2 GLU 16 2HG GLU 16 -7.882 -5.775 6.452
132 HG3 GLU 16 3HG GLU 16 -6.294 -5.921 5.700
133 H GLY 17 H GLY 17 -7.155 -7.808 10.106
134 HA2 GLY 17 2HA GLY 17 -7.879 -10.411 10.395
135 HA3 GLY 17 3HA GLY 17 -6.150 -10.442 10.708
136 H LEU 18 H LEU 18 -5.330 -9.124 12.466
137 HA LEU 18 HA LEU 18 -7.328 -8.850 14.605
138 HB2 LEU 18 2HB LEU 18 -5.206 -10.391 14.711
139 HB3 LEU 18 3HB LEU 18 -4.390 -8.883 15.118
140 HG LEU 18 HG LEU 18 -4.961 -10.158 17.116
141 HD11 LEU 18 1HD1 LEU 18 -5.735 -8.372 18.365
142 HD12 LEU 18 2HD1 LEU 18 -6.822 -7.817 17.092
143 HD13 LEU 18 3HD1 LEU 18 -5.082 -7.579 16.932
144 HD21 LEU 18 3HD2 LEU 18 -7.254 -10.835 15.767
145 HD22 LEU 18 1HD2 LEU 18 -7.835 -9.689 16.976
146 HD23 LEU 18 2HD2 LEU 18 -6.943 -11.124 17.480
Start of MODEL 16
1 H1 VAL 1 H VAL 1 0.146 -0.268 1.649
2 HA VAL 1 HA VAL 1 0.394 0.910 -0.887
3 HB VAL 1 HB VAL 1 2.555 -0.533 0.652
4 HG11 VAL 1 1HG1 VAL 1 3.839 -0.006 -1.084
5 HG12 VAL 1 2HG1 VAL 1 2.525 0.889 -1.850
6 HG13 VAL 1 3HG1 VAL 1 3.582 1.694 -0.689
7 HG21 VAL 1 3HG2 VAL 1 1.963 1.002 2.222
8 HG22 VAL 1 1HG2 VAL 1 2.999 2.029 1.231
9 HG23 VAL 1 2HG2 VAL 1 1.247 2.098 1.041
10 H PHE 2 H PHE 2 1.099 -2.405 0.194
11 HA PHE 2 HA PHE 2 1.999 -3.412 -2.248
12 HB2 PHE 2 2HB PHE 2 0.882 -4.590 0.243
13 HB3 PHE 2 3HB PHE 2 0.907 -5.618 -1.187
14 HD1 PHE 2 HD1 PHE 2 3.190 -3.246 0.576
15 HD2 PHE 2 HD2 PHE 2 2.736 -6.967 -1.440
16 HE1 PHE 2 HE1 PHE 2 5.561 -3.756 0.991
17 HE2 PHE 2 HE2 PHE 2 5.106 -7.484 -1.027
18 HZ PHE 2 HZ PHE 2 6.522 -5.878 0.191
19 H ALA 3 H ALA 3 -1.269 -3.130 -0.945
20 HA ALA 3 HA ALA 3 -2.667 -4.620 -2.823
21 HB1 ALA 3 1HB ALA 3 -4.471 -3.872 -1.742
22 HB2 ALA 3 2HB ALA 3 -3.337 -3.035 -0.681
23 HB3 ALA 3 3HB ALA 3 -4.061 -2.184 -2.045
24 H SER 4 H SER 4 -1.874 -1.149 -2.909
25 HA SER 4 HA SER 4 -3.052 -0.652 -5.424
26 HB2 SER 4 2HB SER 4 -2.482 1.118 -3.772
27 HB3 SER 4 3HB SER 4 -0.772 0.850 -4.114
28 HG SER 4 HG SER 4 -1.197 1.452 -6.281
29 H LEU 5 H LEU 5 0.218 -1.566 -4.460
30 HA LEU 5 HA LEU 5 1.276 -1.385 -7.122
31 HB2 LEU 5 2HB LEU 5 2.289 -2.358 -4.488
32 HB3 LEU 5 3HB LEU 5 3.155 -2.786 -5.962
33 HG LEU 5 HG LEU 5 2.592 0.037 -5.060
34 HD11 LEU 5 1HD1 LEU 5 4.148 -1.300 -3.591
35 HD12 LEU 5 2HD1 LEU 5 4.825 0.164 -4.301
36 HD13 LEU 5 3HD1 LEU 5 5.226 -1.412 -4.983
37 HD21 LEU 5 3HD2 LEU 5 2.829 -0.177 -7.470
38 HD22 LEU 5 1HD2 LEU 5 4.338 -1.067 -7.259
39 HD23 LEU 5 2HD2 LEU 5 4.239 0.628 -6.779
40 HA PRO 6 HA PRO 6 0.332 -5.363 -8.714
41 HB2 PRO 6 2HB PRO 6 2.610 -6.004 -10.045
42 HB3 PRO 6 3HB PRO 6 1.482 -4.767 -10.612
43 HG2 PRO 6 2HG PRO 6 4.052 -4.443 -9.111
44 HG3 PRO 6 3HG PRO 6 3.434 -3.510 -10.487
45 HD2 PRO 6 2HD PRO 6 3.275 -2.620 -7.934
46 HD3 PRO 6 3HD PRO 6 2.051 -2.230 -9.159
47 H GLY 7 H GLY 7 2.776 -4.955 -6.399
48 HA2 GLY 7 2HA GLY 7 4.021 -7.416 -6.214
49 HA3 GLY 7 3HA GLY 7 3.653 -6.391 -4.835
50 H ILE 8 H ILE 8 3.660 -9.009 -4.362
51 HA ILE 8 HA ILE 8 1.236 -10.376 -4.825
52 HB ILE 8 HB ILE 8 1.938 -11.928 -3.103
53 HG12 ILE 8 2HG1 ILE 8 4.077 -9.890 -2.450
54 HG13 ILE 8 3HG1 ILE 8 2.698 -10.296 -1.434
55 HG21 ILE 8 1HG2 ILE 8 3.294 -11.392 -5.414
56 HG22 ILE 8 2HG2 ILE 8 4.587 -11.405 -4.217
57 HG23 ILE 8 3HG2 ILE 8 3.538 -12.811 -4.396
58 HD11 ILE 8 3HD1 ILE 8 5.243 -11.687 -1.807
59 HD12 ILE 8 1HD1 ILE 8 4.147 -11.664 -0.426
60 HD13 ILE 8 2HD1 ILE 8 3.824 -12.733 -1.791
61 H ILE 9 H ILE 9 -0.584 -10.654 -3.567
62 HA ILE 9 HA ILE 9 -1.216 -8.457 -1.798
63 HB ILE 9 HB ILE 9 -3.441 -9.074 -1.966
64 HG12 ILE 9 2HG1 ILE 9 -3.242 -11.343 -1.112
65 HG13 ILE 9 3HG1 ILE 9 -4.207 -11.348 -2.583
66 HG21 ILE 9 1HG2 ILE 9 -3.882 -9.526 -4.291
67 HG22 ILE 9 2HG2 ILE 9 -2.469 -8.479 -4.161
68 HG23 ILE 9 3HG2 ILE 9 -2.265 -10.197 -4.503
69 HD11 ILE 9 3HD1 ILE 9 -1.312 -12.133 -2.354
70 HD12 ILE 9 1HD1 ILE 9 -2.684 -13.223 -2.549
71 HD13 ILE 9 2HD1 ILE 9 -2.252 -12.108 -3.845
72 H PHE 10 H PHE 10 0.463 -11.161 -1.295
73 HA PHE 10 HA PHE 10 -0.677 -12.487 0.858
74 HB2 PHE 10 2HB PHE 10 1.866 -12.404 -0.422
75 HB3 PHE 10 3HB PHE 10 2.132 -12.293 1.315
76 HD1 PHE 10 HD2 PHE 10 -0.375 -14.158 -0.719
77 HD2 PHE 10 HD1 PHE 10 2.820 -14.344 2.087
78 HE1 PHE 10 HE2 PHE 10 -0.696 -16.589 -0.520
79 HE2 PHE 10 HE1 PHE 10 2.505 -16.776 2.290
80 HZ PHE 10 HZ PHE 10 0.745 -17.901 0.987
81 H THR 11 H THR 11 1.287 -9.549 0.814
82 HA THR 11 HA THR 11 1.677 -9.200 3.538
83 HB THR 11 HB THR 11 1.619 -6.681 2.945
84 HG1 THR 11 HG1 THR 11 0.430 -6.757 1.049
85 HG21 THR 11 3HG2 THR 11 3.522 -8.423 1.381
86 HG22 THR 11 1HG2 THR 11 3.653 -8.143 3.117
87 HG23 THR 11 2HG2 THR 11 3.811 -6.794 1.991
88 H ARG 12 H ARG 12 -1.097 -8.319 1.533
89 HA ARG 12 HA ARG 12 -2.506 -6.869 3.494
90 HB2 ARG 12 2HB ARG 12 -3.130 -8.098 0.877
91 HB3 ARG 12 3HB ARG 12 -4.500 -7.851 1.951
92 HG2 ARG 12 2HG ARG 12 -3.828 -5.466 2.160
93 HG3 ARG 12 3HG ARG 12 -2.589 -5.761 0.938
94 HD2 ARG 12 2HD ARG 12 -4.697 -4.775 0.044
95 HD3 ARG 12 3HD ARG 12 -4.240 -6.306 -0.702
96 HE ARG 12 HE ARG 12 -6.151 -7.244 0.137
97 HH11 ARG 12 1HH1 ARG 12 -5.537 -4.240 1.786
98 HH12 ARG 12 2HH1 ARG 12 -7.053 -4.240 2.625
99 HH21 ARG 12 1HH2 ARG 12 -8.150 -7.255 1.236
100 HH22 ARG 12 2HH2 ARG 12 -8.538 -5.955 2.312
101 H SER 13 H SER 13 -2.761 -10.269 2.474
102 HA SER 13 HA SER 13 -4.772 -10.994 4.300
103 HB2 SER 13 2HB SER 13 -4.384 -12.461 2.472
104 HB3 SER 13 3HB SER 13 -2.668 -12.600 2.850
105 HG SER 13 HG SER 13 -3.699 -14.437 3.585
106 H GLN 14 H GLN 14 -1.249 -11.038 4.533
107 HA GLN 14 HA GLN 14 -1.027 -12.404 6.968
108 HB2 GLN 14 2HB GLN 14 0.843 -11.857 5.374
109 HB3 GLN 14 3HB GLN 14 0.807 -10.212 5.994
110 HG2 GLN 14 2HG GLN 14 2.553 -11.325 7.120
111 HG3 GLN 14 3HG GLN 14 1.230 -11.167 8.273
112 HE21 GLN 14 1HE2 GLN 14 2.950 -13.372 6.174
113 HE22 GLN 14 2HE2 GLN 14 2.442 -14.823 6.961
114 H LYS 15 H LYS 15 -1.485 -8.977 6.258
115 HA LYS 15 HA LYS 15 -1.137 -7.962 8.839
116 HB2 LYS 15 2HB LYS 15 -1.273 -6.549 6.833
117 HB3 LYS 15 3HB LYS 15 -2.973 -6.960 6.654
118 HG2 LYS 15 2HG LYS 15 -3.155 -5.998 9.078
119 HG3 LYS 15 3HG LYS 15 -1.651 -5.183 8.644
120 HD2 LYS 15 2HD LYS 15 -4.092 -5.079 6.892
121 HD3 LYS 15 3HD LYS 15 -3.826 -3.926 8.202
122 HE2 LYS 15 2HE LYS 15 -1.689 -3.282 7.186
123 HE3 LYS 15 3HE LYS 15 -1.972 -4.426 5.874
124 HZ1 LYS 15 3HZ LYS 15 -3.773 -3.163 5.088
125 HZ2 LYS 15 1HZ LYS 15 -2.555 -2.036 5.415
126 HZ3 LYS 15 2HZ LYS 15 -3.848 -2.219 6.490
127 H GLU 16 H GLU 16 -3.990 -9.313 7.255
128 HA GLU 16 HA GLU 16 -5.991 -10.032 8.063
129 HB2 GLU 16 2HB GLU 16 -4.589 -10.042 10.741
130 HB3 GLU 16 3HB GLU 16 -6.066 -10.905 10.333
131 HG2 GLU 16 2HG GLU 16 -3.517 -11.412 8.849
132 HG3 GLU 16 3HG GLU 16 -3.858 -12.205 10.386
133 H GLY 17 H GLY 17 -5.524 -7.211 7.849
134 HA2 GLY 17 2HA GLY 17 -6.776 -5.319 8.273
135 HA3 GLY 17 3HA GLY 17 -7.777 -6.279 9.351
136 H LEU 18 H LEU 18 -7.814 -4.470 10.789
137 HA LEU 18 HA LEU 18 -5.279 -3.877 12.137
138 HB2 LEU 18 2HB LEU 18 -7.049 -2.138 11.249
139 HB3 LEU 18 3HB LEU 18 -7.826 -2.479 12.794
140 HG LEU 18 HG LEU 18 -4.970 -1.552 12.566
141 HD11 LEU 18 1HD1 LEU 18 -7.519 0.000 12.603
142 HD12 LEU 18 2HD1 LEU 18 -6.047 0.279 11.675
143 HD13 LEU 18 3HD1 LEU 18 -6.084 0.647 13.399
144 HD21 LEU 18 3HD2 LEU 18 -6.882 -2.100 14.768
145 HD22 LEU 18 1HD2 LEU 18 -5.785 -0.732 14.954
146 HD23 LEU 18 2HD2 LEU 18 -5.137 -2.351 14.690
Start of MODEL 17
1 H1 VAL 1 H VAL 1 0.075 0.627 0.735
2 HA VAL 1 HA VAL 1 0.305 1.550 -1.911
3 HB VAL 1 HB VAL 1 2.520 0.332 -0.261
4 HG11 VAL 1 1HG1 VAL 1 3.874 2.039 -1.546
5 HG12 VAL 1 2HG1 VAL 1 3.261 0.673 -2.480
6 HG13 VAL 1 3HG1 VAL 1 2.463 2.243 -2.583
7 HG21 VAL 1 3HG2 VAL 1 1.003 2.815 0.086
8 HG22 VAL 1 1HG2 VAL 1 2.016 1.933 1.229
9 HG23 VAL 1 2HG2 VAL 1 2.753 3.028 0.059
10 H PHE 2 H PHE 2 1.112 -1.606 -0.479
11 HA PHE 2 HA PHE 2 2.070 -2.841 -2.785
12 HB2 PHE 2 2HB PHE 2 1.375 -3.626 -0.129
13 HB3 PHE 2 3HB PHE 2 0.671 -4.786 -1.251
14 HD1 PHE 2 HD1 PHE 2 3.888 -2.976 -0.707
15 HD2 PHE 2 HD2 PHE 2 1.951 -6.587 -1.858
16 HE1 PHE 2 HE1 PHE 2 6.078 -4.074 -0.937
17 HE2 PHE 2 HE2 PHE 2 4.138 -7.690 -2.089
18 HZ PHE 2 HZ PHE 2 6.205 -6.434 -1.627
19 H ALA 3 H ALA 3 -1.227 -2.514 -1.569
20 HA ALA 3 HA ALA 3 -2.552 -4.233 -3.299
21 HB1 ALA 3 1HB ALA 3 -3.299 -1.871 -1.700
22 HB2 ALA 3 2HB ALA 3 -4.392 -2.293 -3.018
23 HB3 ALA 3 3HB ALA 3 -4.024 -3.477 -1.764
24 H SER 4 H SER 4 -1.848 -0.770 -3.741
25 HA SER 4 HA SER 4 -2.994 -0.574 -6.312
26 HB2 SER 4 2HB SER 4 -0.989 1.097 -4.811
27 HB3 SER 4 3HB SER 4 -1.453 1.490 -6.466
28 HG SER 4 HG SER 4 -3.658 1.505 -5.684
29 H LEU 5 H LEU 5 0.281 -1.291 -5.209
30 HA LEU 5 HA LEU 5 1.452 -1.297 -7.802
31 HB2 LEU 5 2HB LEU 5 2.271 -2.073 -5.069
32 HB3 LEU 5 3HB LEU 5 3.140 -2.835 -6.399
33 HG LEU 5 HG LEU 5 3.848 -0.670 -7.222
34 HD11 LEU 5 1HD1 LEU 5 3.364 1.278 -5.522
35 HD12 LEU 5 2HD1 LEU 5 1.930 0.313 -5.172
36 HD13 LEU 5 3HD1 LEU 5 2.227 0.888 -6.813
37 HD21 LEU 5 3HD2 LEU 5 5.575 -0.910 -5.851
38 HD22 LEU 5 1HD2 LEU 5 4.568 -1.786 -4.698
39 HD23 LEU 5 2HD2 LEU 5 4.691 -0.029 -4.603
40 HA PRO 6 HA PRO 6 0.488 -5.285 -9.355
41 HB2 PRO 6 2HB PRO 6 2.832 -6.061 -10.483
42 HB3 PRO 6 3HB PRO 6 1.807 -4.796 -11.171
43 HG2 PRO 6 2HG PRO 6 4.264 -4.532 -9.481
44 HG3 PRO 6 3HG PRO 6 3.797 -3.617 -10.926
45 HD2 PRO 6 2HD PRO 6 3.479 -2.644 -8.419
46 HD3 PRO 6 3HD PRO 6 2.372 -2.241 -9.747
47 H GLY 7 H GLY 7 2.884 -4.921 -6.939
48 HA2 GLY 7 2HA GLY 7 3.906 -7.466 -6.593
49 HA3 GLY 7 3HA GLY 7 3.600 -6.339 -5.280
50 H ILE 8 H ILE 8 3.367 -8.913 -4.662
51 HA ILE 8 HA ILE 8 0.859 -10.109 -5.122
52 HB ILE 8 HB ILE 8 1.379 -11.618 -3.330
53 HG12 ILE 8 2HG1 ILE 8 3.514 -9.620 -2.554
54 HG13 ILE 8 3HG1 ILE 8 2.068 -10.016 -1.632
55 HG21 ILE 8 1HG2 ILE 8 2.999 -11.189 -5.519
56 HG22 ILE 8 2HG2 ILE 8 4.140 -11.323 -4.182
57 HG23 ILE 8 3HG2 ILE 8 2.992 -12.625 -4.494
58 HD11 ILE 8 3HD1 ILE 8 3.076 -12.438 -1.720
59 HD12 ILE 8 1HD1 ILE 8 4.581 -11.555 -1.978
60 HD13 ILE 8 2HD1 ILE 8 3.622 -11.259 -0.527
61 H ILE 9 H ILE 9 -0.276 -10.772 -2.773
62 HA ILE 9 HA ILE 9 -1.046 -8.208 -1.545
63 HB ILE 9 HB ILE 9 -3.312 -8.684 -1.632
64 HG12 ILE 9 2HG1 ILE 9 -3.250 -10.929 -0.710
65 HG13 ILE 9 3HG1 ILE 9 -4.233 -10.927 -2.169
66 HG21 ILE 9 1HG2 ILE 9 -3.836 -9.257 -3.943
67 HG22 ILE 9 2HG2 ILE 9 -2.436 -8.189 -3.859
68 HG23 ILE 9 3HG2 ILE 9 -2.213 -9.913 -4.157
69 HD11 ILE 9 3HD1 ILE 9 -2.918 -12.876 -2.243
70 HD12 ILE 9 1HD1 ILE 9 -2.198 -11.754 -3.396
71 HD13 ILE 9 2HD1 ILE 9 -1.452 -11.994 -1.815
72 H PHE 10 H PHE 10 0.506 -10.944 -0.956
73 HA PHE 10 HA PHE 10 -0.657 -12.162 1.246
74 HB2 PHE 10 2HB PHE 10 1.681 -12.485 -0.114
75 HB3 PHE 10 3HB PHE 10 2.268 -11.827 1.410
76 HD1 PHE 10 HD1 PHE 10 -0.408 -14.252 0.459
77 HD2 PHE 10 HD2 PHE 10 3.057 -13.462 2.801
78 HE1 PHE 10 HE1 PHE 10 -0.600 -16.479 1.488
79 HE2 PHE 10 HE2 PHE 10 2.871 -15.688 3.833
80 HZ PHE 10 HZ PHE 10 1.042 -17.200 3.176
81 H THR 11 H THR 11 1.619 -9.428 1.191
82 HA THR 11 HA THR 11 1.794 -9.008 3.938
83 HB THR 11 HB THR 11 3.314 -7.874 2.453
84 HG1 THR 11 HG1 THR 11 3.158 -6.644 4.232
85 HG21 THR 11 3HG2 THR 11 1.705 -7.580 0.578
86 HG22 THR 11 1HG2 THR 11 2.640 -6.128 0.933
87 HG23 THR 11 2HG2 THR 11 0.965 -6.252 1.471
88 H ARG 12 H ARG 12 -0.565 -7.811 1.597
89 HA ARG 12 HA ARG 12 -1.905 -5.985 3.224
90 HB2 ARG 12 2HB ARG 12 -2.183 -6.833 0.652
91 HB3 ARG 12 3HB ARG 12 -3.602 -7.557 1.397
92 HG2 ARG 12 2HG ARG 12 -3.820 -5.088 2.390
93 HG3 ARG 12 3HG ARG 12 -2.959 -4.720 0.894
94 HD2 ARG 12 2HD ARG 12 -5.362 -4.587 0.553
95 HD3 ARG 12 3HD ARG 12 -4.675 -5.915 -0.381
96 HE ARG 12 HE ARG 12 -5.607 -6.807 2.151
97 HH11 ARG 12 1HH1 ARG 12 -6.676 -5.867 -1.026
98 HH12 ARG 12 2HH1 ARG 12 -8.117 -6.827 -0.968
99 HH21 ARG 12 1HH2 ARG 12 -7.501 -8.075 2.239
100 HH22 ARG 12 2HH2 ARG 12 -8.586 -8.082 0.890
101 H SER 13 H SER 13 -2.540 -9.446 2.713
102 HA SER 13 HA SER 13 -4.791 -9.695 4.322
103 HB2 SER 13 2HB SER 13 -4.057 -11.499 2.862
104 HB3 SER 13 3HB SER 13 -2.587 -11.708 3.813
105 HG SER 13 HG SER 13 -4.918 -12.868 4.188
106 H GLN 14 H GLN 14 -1.365 -9.900 5.193
107 HA GLN 14 HA GLN 14 -1.744 -10.613 7.891
108 HB2 GLN 14 2HB GLN 14 0.410 -10.855 6.749
109 HB3 GLN 14 3HB GLN 14 0.543 -9.107 6.609
110 HG2 GLN 14 2HG GLN 14 1.922 -9.769 8.409
111 HG3 GLN 14 3HG GLN 14 0.502 -8.992 9.106
112 HE21 GLN 14 1HE2 GLN 14 1.038 -10.085 11.067
113 HE22 GLN 14 2HE2 GLN 14 0.600 -11.741 11.290
114 H LYS 15 H LYS 15 -1.193 -7.443 6.373
115 HA LYS 15 HA LYS 15 -1.231 -5.880 8.669
116 HB2 LYS 15 2HB LYS 15 -2.021 -5.311 5.822
117 HB3 LYS 15 3HB LYS 15 -2.131 -4.073 7.066
118 HG2 LYS 15 2HG LYS 15 0.416 -5.570 6.561
119 HG3 LYS 15 3HG LYS 15 -0.025 -4.136 5.632
120 HD2 LYS 15 2HD LYS 15 -0.332 -2.974 7.878
121 HD3 LYS 15 3HD LYS 15 0.496 -4.363 8.586
122 HE2 LYS 15 2HE LYS 15 2.299 -3.875 6.781
123 HE3 LYS 15 3HE LYS 15 1.545 -2.283 6.707
124 HZ1 LYS 15 3HZ LYS 15 3.172 -3.467 8.796
125 HZ2 LYS 15 1HZ LYS 15 1.834 -2.583 9.336
126 HZ3 LYS 15 2HZ LYS 15 2.992 -1.845 8.350
127 H GLU 16 H GLU 16 -3.944 -6.782 6.551
128 HA GLU 16 HA GLU 16 -5.814 -5.742 8.553
129 HB2 GLU 16 2HB GLU 16 -6.130 -6.531 5.663
130 HB3 GLU 16 3HB GLU 16 -7.515 -6.245 6.707
131 HG2 GLU 16 2HG GLU 16 -5.358 -4.259 6.033
132 HG3 GLU 16 3HG GLU 16 -7.001 -4.278 5.394
133 H GLY 17 H GLY 17 -5.525 -7.438 10.076
134 HA2 GLY 17 2HA GLY 17 -7.157 -9.777 9.450
135 HA3 GLY 17 3HA GLY 17 -5.498 -10.081 9.944
136 H LEU 18 H LEU 18 -5.160 -10.395 12.039
137 HA LEU 18 HA LEU 18 -6.850 -9.045 14.000
138 HB2 LEU 18 2HB LEU 18 -7.846 -11.284 13.463
139 HB3 LEU 18 3HB LEU 18 -6.374 -12.017 14.100
140 HG LEU 18 HG LEU 18 -6.947 -10.736 16.270
141 HD11 LEU 18 1HD1 LEU 18 -9.780 -10.981 15.508
142 HD12 LEU 18 2HD1 LEU 18 -8.905 -9.628 14.793
143 HD13 LEU 18 3HD1 LEU 18 -8.977 -9.803 16.546
144 HD21 LEU 18 3HD2 LEU 18 -8.859 -12.617 16.593
145 HD22 LEU 18 1HD2 LEU 18 -7.128 -12.947 16.651
146 HD23 LEU 18 2HD2 LEU 18 -8.031 -13.239 15.164
Start of MODEL 18
1 H1 VAL 1 H VAL 1 -0.607 -0.013 1.661
2 HA VAL 1 HA VAL 1 -0.834 0.687 -1.044
3 HB VAL 1 HB VAL 1 1.690 -0.018 0.459
4 HG11 VAL 1 1HG1 VAL 1 1.313 1.711 -1.982
5 HG12 VAL 1 2HG1 VAL 1 2.839 1.328 -1.184
6 HG13 VAL 1 3HG1 VAL 1 1.926 0.058 -2.000
7 HG21 VAL 1 3HG2 VAL 1 -0.044 2.390 0.437
8 HG22 VAL 1 1HG2 VAL 1 0.925 1.702 1.740
9 HG23 VAL 1 2HG2 VAL 1 1.702 2.638 0.464
10 H PHE 2 H PHE 2 0.365 -2.257 0.508
11 HA PHE 2 HA PHE 2 1.344 -3.525 -1.796
12 HB2 PHE 2 2HB PHE 2 0.744 -4.269 0.960
13 HB3 PHE 2 3HB PHE 2 0.442 -5.583 -0.172
14 HD1 PHE 2 HD1 PHE 2 3.044 -3.000 0.524
15 HD2 PHE 2 HD2 PHE 2 2.180 -7.005 -0.628
16 HE1 PHE 2 HE1 PHE 2 5.452 -3.501 0.475
17 HE2 PHE 2 HE2 PHE 2 4.587 -7.513 -0.678
18 HZ PHE 2 HZ PHE 2 6.226 -5.761 -0.126
19 H ALA 3 H ALA 3 -1.864 -3.511 -0.317
20 HA ALA 3 HA ALA 3 -3.076 -5.469 -1.893
21 HB1 ALA 3 1HB ALA 3 -5.102 -4.727 -1.054
22 HB2 ALA 3 2HB ALA 3 -3.960 -4.191 0.179
23 HB3 ALA 3 3HB ALA 3 -4.582 -3.042 -1.006
24 H SER 4 H SER 4 -2.936 -1.947 -2.396
25 HA SER 4 HA SER 4 -4.340 -1.954 -4.843
26 HB2 SER 4 2HB SER 4 -4.002 0.067 -3.437
27 HB3 SER 4 3HB SER 4 -2.295 0.060 -3.879
28 HG SER 4 HG SER 4 -4.461 0.931 -5.294
29 H LEU 5 H LEU 5 -0.901 -2.157 -4.066
30 HA LEU 5 HA LEU 5 -0.001 -2.031 -6.762
31 HB2 LEU 5 2HB LEU 5 1.223 -2.795 -4.149
32 HB3 LEU 5 3HB LEU 5 2.075 -3.166 -5.646
33 HG LEU 5 HG LEU 5 1.218 -0.400 -4.798
34 HD11 LEU 5 1HD1 LEU 5 3.183 -0.091 -3.760
35 HD12 LEU 5 2HD1 LEU 5 4.071 -1.078 -4.920
36 HD13 LEU 5 3HD1 LEU 5 3.176 -1.848 -3.610
37 HD21 LEU 5 3HD2 LEU 5 2.716 0.323 -6.601
38 HD22 LEU 5 1HD2 LEU 5 1.386 -0.663 -7.209
39 HD23 LEU 5 2HD2 LEU 5 2.995 -1.363 -7.038
40 HA PRO 6 HA PRO 6 -0.532 -6.142 -8.203
41 HB2 PRO 6 2HB PRO 6 1.751 -6.555 -9.613
42 HB3 PRO 6 3HB PRO 6 0.463 -5.477 -10.165
43 HG2 PRO 6 2HG PRO 6 3.035 -4.806 -8.786
44 HG3 PRO 6 3HG PRO 6 2.256 -3.996 -10.158
45 HD2 PRO 6 2HD PRO 6 2.096 -3.049 -7.626
46 HD3 PRO 6 3HD PRO 6 0.786 -2.845 -8.807
47 H GLY 7 H GLY 7 1.995 -5.373 -6.051
48 HA2 GLY 7 2HA GLY 7 3.469 -7.711 -5.857
49 HA3 GLY 7 3HA GLY 7 3.131 -6.637 -4.507
50 H ILE 8 H ILE 8 3.384 -9.150 -3.807
51 HA ILE 8 HA ILE 8 1.171 -10.846 -4.035
52 HB ILE 8 HB ILE 8 2.036 -12.060 -2.153
53 HG12 ILE 8 2HG1 ILE 8 3.721 -9.605 -1.616
54 HG13 ILE 8 3HG1 ILE 8 2.407 -10.210 -0.613
55 HG21 ILE 8 1HG2 ILE 8 3.419 -11.601 -4.436
56 HG22 ILE 8 2HG2 ILE 8 4.623 -11.172 -3.221
57 HG23 ILE 8 3HG2 ILE 8 3.888 -12.775 -3.207
58 HD11 ILE 8 3HD1 ILE 8 4.197 -12.341 -0.897
59 HD12 ILE 8 1HD1 ILE 8 5.180 -10.909 -0.591
60 HD13 ILE 8 2HD1 ILE 8 3.902 -11.358 0.538
61 H ILE 9 H ILE 9 0.206 -11.551 -1.648
62 HA ILE 9 HA ILE 9 -0.970 -9.123 -0.478
63 HB ILE 9 HB ILE 9 -3.151 -9.893 -0.604
64 HG12 ILE 9 2HG1 ILE 9 -2.839 -12.106 0.319
65 HG13 ILE 9 3HG1 ILE 9 -3.746 -12.247 -1.183
66 HG21 ILE 9 1HG2 ILE 9 -1.793 -9.609 -2.904
67 HG22 ILE 9 2HG2 ILE 9 -2.409 -11.247 -3.117
68 HG23 ILE 9 3HG2 ILE 9 -3.528 -9.914 -2.830
69 HD11 ILE 9 3HD1 ILE 9 -1.330 -12.617 -2.181
70 HD12 ILE 9 1HD1 ILE 9 -1.000 -13.141 -0.529
71 HD13 ILE 9 2HD1 ILE 9 -2.262 -13.935 -1.472
72 H PHE 10 H PHE 10 0.909 -11.657 0.113
73 HA PHE 10 HA PHE 10 -0.206 -12.876 2.402
74 HB2 PHE 10 2HB PHE 10 2.697 -12.550 1.612
75 HB3 PHE 10 3HB PHE 10 2.102 -13.639 2.862
76 HD1 PHE 10 HD2 PHE 10 -0.376 -14.593 1.426
77 HD2 PHE 10 HD1 PHE 10 3.649 -14.103 0.131
78 HE1 PHE 10 HE2 PHE 10 -0.710 -16.349 -0.265
79 HE2 PHE 10 HE1 PHE 10 3.321 -15.858 -1.563
80 HZ PHE 10 HZ PHE 10 1.140 -16.984 -1.761
81 H THR 11 H THR 11 1.916 -10.083 1.980
82 HA THR 11 HA THR 11 2.424 -9.619 4.716
83 HB THR 11 HB THR 11 3.132 -7.376 4.051
84 HG1 THR 11 HG1 THR 11 2.175 -8.031 1.448
85 HG21 THR 11 3HG2 THR 11 5.026 -8.175 3.160
86 HG22 THR 11 1HG2 THR 11 4.193 -8.790 1.733
87 HG23 THR 11 2HG2 THR 11 4.244 -9.754 3.208
88 H ARG 12 H ARG 12 0.063 -8.144 2.494
89 HA ARG 12 HA ARG 12 -1.149 -6.489 4.433
90 HB2 ARG 12 2HB ARG 12 -2.969 -6.243 2.802
91 HB3 ARG 12 3HB ARG 12 -1.393 -6.068 2.043
92 HG2 ARG 12 2HG ARG 12 -1.563 -8.444 1.308
93 HG3 ARG 12 3HG ARG 12 -3.217 -8.456 1.923
94 HD2 ARG 12 2HD ARG 12 -2.906 -6.154 0.294
95 HD3 ARG 12 3HD ARG 12 -2.256 -7.534 -0.591
96 HE ARG 12 HE ARG 12 -4.380 -8.392 -0.768
97 HH11 ARG 12 1HH1 ARG 12 -4.361 -5.773 1.526
98 HH12 ARG 12 2HH1 ARG 12 -6.087 -5.697 1.650
99 HH21 ARG 12 1HH2 ARG 12 -6.654 -8.301 -0.613
100 HH22 ARG 12 2HH2 ARG 12 -7.391 -7.136 0.434
101 H SER 13 H SER 13 -1.857 -9.757 3.299
102 HA SER 13 HA SER 13 -4.301 -10.096 4.650
103 HB2 SER 13 2HB SER 13 -3.523 -11.595 2.847
104 HB3 SER 13 3HB SER 13 -2.257 -12.205 3.912
105 HG SER 13 HG SER 13 -4.981 -12.305 4.647
106 H GLN 14 H GLN 14 -0.960 -10.681 5.630
107 HA GLN 14 HA GLN 14 -1.416 -12.031 8.018
108 HB2 GLN 14 2HB GLN 14 0.805 -11.631 6.885
109 HB3 GLN 14 3HB GLN 14 0.781 -10.011 7.568
110 HG2 GLN 14 2HG GLN 14 1.109 -10.759 9.713
111 HG3 GLN 14 3HG GLN 14 0.444 -12.355 9.373
112 HE21 GLN 14 1HE2 GLN 14 3.206 -10.720 10.012
113 HE22 GLN 14 2HE2 GLN 14 4.359 -11.806 9.324
114 H LYS 15 H LYS 15 -1.215 -8.542 7.405
115 HA LYS 15 HA LYS 15 -1.541 -7.727 10.084
116 HB2 LYS 15 2HB LYS 15 -2.284 -6.245 7.554
117 HB3 LYS 15 3HB LYS 15 -2.092 -5.526 9.147
118 HG2 LYS 15 2HG LYS 15 0.181 -5.626 9.075
119 HG3 LYS 15 3HG LYS 15 0.197 -7.050 8.032
120 HD2 LYS 15 2HD LYS 15 0.844 -5.508 6.495
121 HD3 LYS 15 3HD LYS 15 -0.902 -5.307 6.334
122 HE2 LYS 15 2HE LYS 15 -0.234 -3.123 6.572
123 HE3 LYS 15 3HE LYS 15 -0.569 -3.552 8.249
124 HZ1 LYS 15 3HZ LYS 15 1.519 -2.414 8.122
125 HZ2 LYS 15 1HZ LYS 15 2.095 -3.478 6.939
126 HZ3 LYS 15 2HZ LYS 15 1.819 -4.032 8.513
127 H GLU 16 H GLU 16 -3.888 -8.077 7.434
128 HA GLU 16 HA GLU 16 -6.162 -8.199 7.417
129 HB2 GLU 16 2HB GLU 16 -5.267 -10.106 9.131
130 HB3 GLU 16 3HB GLU 16 -6.342 -9.200 10.188
131 HG2 GLU 16 2HG GLU 16 -8.176 -9.523 8.623
132 HG3 GLU 16 3HG GLU 16 -7.104 -10.403 7.536
133 H GLY 17 H GLY 17 -5.080 -5.714 8.241
134 HA2 GLY 17 2HA GLY 17 -6.794 -4.824 10.441
135 HA3 GLY 17 3HA GLY 17 -5.508 -3.894 9.687
136 H LEU 18 H LEU 18 -6.183 -2.230 8.526
137 HA LEU 18 HA LEU 18 -8.830 -1.616 7.999
138 HB2 LEU 18 2HB LEU 18 -8.060 0.201 6.770
139 HB3 LEU 18 3HB LEU 18 -6.762 -0.121 7.919
140 HG LEU 18 HG LEU 18 -6.744 -1.010 5.037
141 HD11 LEU 18 1HD1 LEU 18 -6.205 1.070 4.494
142 HD12 LEU 18 2HD1 LEU 18 -4.771 0.926 5.510
143 HD13 LEU 18 3HD1 LEU 18 -6.266 1.573 6.183
144 HD21 LEU 18 3HD2 LEU 18 -5.370 -2.405 6.443
145 HD22 LEU 18 1HD2 LEU 18 -4.629 -0.988 7.186
146 HD23 LEU 18 2HD2 LEU 18 -4.333 -1.347 5.485
Start of MODEL 19
1 H1 VAL 1 H VAL 1 1.338 0.814 0.388
2 HA VAL 1 HA VAL 1 1.674 1.649 -2.277
3 HB VAL 1 HB VAL 1 3.680 0.157 -0.583
4 HG11 VAL 1 1HG1 VAL 1 4.621 0.207 -2.684
5 HG12 VAL 1 2HG1 VAL 1 3.842 1.731 -3.114
6 HG13 VAL 1 3HG1 VAL 1 5.214 1.722 -2.005
7 HG21 VAL 1 3HG2 VAL 1 3.285 1.928 0.793
8 HG22 VAL 1 1HG2 VAL 1 4.436 2.690 -0.305
9 HG23 VAL 1 2HG2 VAL 1 2.706 2.959 -0.516
10 H PHE 2 H PHE 2 1.771 -1.559 -0.783
11 HA PHE 2 HA PHE 2 2.592 -2.991 -3.057
12 HB2 PHE 2 2HB PHE 2 1.759 -3.590 -0.396
13 HB3 PHE 2 3HB PHE 2 0.852 -4.621 -1.497
14 HD1 PHE 2 HD1 PHE 2 4.362 -3.381 -1.187
15 HD2 PHE 2 HD2 PHE 2 1.764 -6.684 -1.859
16 HE1 PHE 2 HE1 PHE 2 6.312 -4.869 -1.390
17 HE2 PHE 2 HE2 PHE 2 3.708 -8.178 -2.062
18 HZ PHE 2 HZ PHE 2 5.986 -7.271 -1.827
19 H ALA 3 H ALA 3 -0.606 -2.062 -1.889
20 HA ALA 3 HA ALA 3 -2.200 -3.555 -3.600
21 HB1 ALA 3 1HB ALA 3 -3.951 -2.220 -2.947
22 HB2 ALA 3 2HB ALA 3 -2.798 -1.919 -1.647
23 HB3 ALA 3 3HB ALA 3 -2.976 -0.750 -2.955
24 H SER 4 H SER 4 -0.887 -0.284 -4.107
25 HA SER 4 HA SER 4 -1.956 0.050 -6.697
26 HB2 SER 4 2HB SER 4 0.444 1.358 -5.395
27 HB3 SER 4 3HB SER 4 -0.298 1.895 -6.902
28 HG SER 4 HG SER 4 -0.953 2.828 -4.691
29 H LEU 5 H LEU 5 1.131 -1.205 -5.532
30 HA LEU 5 HA LEU 5 2.295 -1.487 -8.118
31 HB2 LEU 5 2HB LEU 5 2.957 -2.453 -5.373
32 HB3 LEU 5 3HB LEU 5 3.793 -3.147 -6.760
33 HG LEU 5 HG LEU 5 3.763 -0.211 -6.065
34 HD11 LEU 5 1HD1 LEU 5 5.144 -2.273 -4.788
35 HD12 LEU 5 2HD1 LEU 5 5.459 -0.542 -4.674
36 HD13 LEU 5 3HD1 LEU 5 6.318 -1.518 -5.865
37 HD21 LEU 5 3HD2 LEU 5 4.076 -0.639 -8.438
38 HD22 LEU 5 1HD2 LEU 5 5.363 -1.789 -8.077
39 HD23 LEU 5 2HD2 LEU 5 5.580 -0.078 -7.706
40 HA PRO 6 HA PRO 6 0.657 -5.305 -9.531
41 HB2 PRO 6 2HB PRO 6 2.826 -6.476 -10.669
42 HB3 PRO 6 3HB PRO 6 2.002 -5.084 -11.381
43 HG2 PRO 6 2HG PRO 6 4.502 -5.167 -9.736
44 HG3 PRO 6 3HG PRO 6 4.158 -4.230 -11.202
45 HD2 PRO 6 2HD PRO 6 4.047 -3.148 -8.722
46 HD3 PRO 6 3HD PRO 6 2.993 -2.612 -10.046
47 H GLY 7 H GLY 7 3.004 -5.223 -7.086
48 HA2 GLY 7 2HA GLY 7 3.706 -7.870 -6.680
49 HA3 GLY 7 3HA GLY 7 3.506 -6.691 -5.392
50 H ILE 8 H ILE 8 2.938 -9.164 -4.690
51 HA ILE 8 HA ILE 8 0.295 -10.037 -5.217
52 HB ILE 8 HB ILE 8 0.590 -11.606 -3.419
53 HG12 ILE 8 2HG1 ILE 8 3.007 -9.954 -2.654
54 HG13 ILE 8 3HG1 ILE 8 1.513 -10.095 -1.735
55 HG21 ILE 8 1HG2 ILE 8 2.028 -11.638 -5.631
56 HG22 ILE 8 2HG2 ILE 8 3.359 -11.470 -4.488
57 HG23 ILE 8 3HG2 ILE 8 2.261 -12.844 -4.365
58 HD11 ILE 8 3HD1 ILE 8 2.026 -12.591 -1.630
59 HD12 ILE 8 1HD1 ILE 8 3.647 -12.148 -2.164
60 HD13 ILE 8 2HD1 ILE 8 3.011 -11.505 -0.650
61 H ILE 9 H ILE 9 -0.946 -10.548 -2.889
62 HA ILE 9 HA ILE 9 -1.382 -7.899 -1.672
63 HB ILE 9 HB ILE 9 -3.687 -8.106 -1.745
64 HG12 ILE 9 2HG1 ILE 9 -3.884 -10.328 -0.784
65 HG13 ILE 9 3HG1 ILE 9 -4.871 -10.233 -2.239
66 HG21 ILE 9 1HG2 ILE 9 -2.756 -9.499 -4.252
67 HG22 ILE 9 2HG2 ILE 9 -4.289 -8.653 -4.044
68 HG23 ILE 9 3HG2 ILE 9 -2.772 -7.756 -3.984
69 HD11 ILE 9 3HD1 ILE 9 -2.958 -11.314 -3.463
70 HD12 ILE 9 1HD1 ILE 9 -2.230 -11.612 -1.885
71 HD13 ILE 9 2HD1 ILE 9 -3.793 -12.325 -2.284
72 H PHE 10 H PHE 10 -0.156 -10.790 -1.051
73 HA PHE 10 HA PHE 10 -1.439 -11.836 1.171
74 HB2 PHE 10 2HB PHE 10 0.525 -12.834 -0.057
75 HB3 PHE 10 3HB PHE 10 1.559 -11.710 0.820
76 HD1 PHE 10 HD1 PHE 10 1.430 -11.789 3.394
77 HD2 PHE 10 HD2 PHE 10 0.026 -14.900 0.851
78 HE1 PHE 10 HE1 PHE 10 1.571 -13.378 5.267
79 HE2 PHE 10 HE2 PHE 10 0.164 -16.494 2.720
80 HZ PHE 10 HZ PHE 10 0.936 -15.734 4.932
81 H THR 11 H THR 11 0.905 -9.201 0.973
82 HA THR 11 HA THR 11 1.382 -8.791 3.677
83 HB THR 11 HB THR 11 2.683 -7.604 2.033
84 HG1 THR 11 HG1 THR 11 2.788 -5.733 3.144
85 HG21 THR 11 3HG2 THR 11 0.851 -7.329 0.371
86 HG22 THR 11 1HG2 THR 11 1.788 -5.858 0.631
87 HG23 THR 11 2HG2 THR 11 0.194 -6.030 1.367
88 H ARG 12 H ARG 12 -1.272 -7.629 1.654
89 HA ARG 12 HA ARG 12 -2.437 -5.915 3.568
90 HB2 ARG 12 2HB ARG 12 -3.539 -7.324 1.144
91 HB3 ARG 12 3HB ARG 12 -4.535 -6.281 2.149
92 HG2 ARG 12 2HG ARG 12 -2.536 -4.593 1.724
93 HG3 ARG 12 3HG ARG 12 -2.343 -5.591 0.282
94 HD2 ARG 12 2HD ARG 12 -3.781 -3.734 -0.237
95 HD3 ARG 12 3HD ARG 12 -4.734 -5.218 -0.241
96 HE ARG 12 HE ARG 12 -4.812 -3.927 2.294
97 HH11 ARG 12 1HH1 ARG 12 -6.119 -3.820 -0.931
98 HH12 ARG 12 2HH1 ARG 12 -7.594 -3.049 -0.448
99 HH21 ARG 12 1HH2 ARG 12 -6.749 -2.912 2.943
100 HH22 ARG 12 2HH2 ARG 12 -7.951 -2.533 1.756
101 H SER 13 H SER 13 -3.192 -9.272 2.659
102 HA SER 13 HA SER 13 -5.305 -9.698 4.411
103 HB2 SER 13 2HB SER 13 -4.727 -11.289 2.648
104 HB3 SER 13 3HB SER 13 -3.215 -11.677 3.469
105 HG SER 13 HG SER 13 -4.332 -13.120 4.494
106 H GLN 14 H GLN 14 -1.827 -9.980 4.952
107 HA GLN 14 HA GLN 14 -1.934 -11.128 7.513
108 HB2 GLN 14 2HB GLN 14 0.098 -10.935 6.041
109 HB3 GLN 14 3HB GLN 14 0.189 -9.238 6.493
110 HG2 GLN 14 2HG GLN 14 1.693 -10.262 7.921
111 HG3 GLN 14 3HG GLN 14 0.244 -10.089 8.909
112 HE21 GLN 14 1HE2 GLN 14 2.264 -11.893 9.504
113 HE22 GLN 14 2HE2 GLN 14 1.655 -13.498 9.318
114 H LYS 15 H LYS 15 -1.773 -7.735 6.485
115 HA LYS 15 HA LYS 15 -1.661 -6.593 9.045
116 HB2 LYS 15 2HB LYS 15 -1.341 -5.527 6.687
117 HB3 LYS 15 3HB LYS 15 -3.076 -5.250 6.766
118 HG2 LYS 15 2HG LYS 15 -1.411 -4.386 9.069
119 HG3 LYS 15 3HG LYS 15 -1.346 -3.441 7.580
120 HD2 LYS 15 2HD LYS 15 -3.948 -4.199 8.880
121 HD3 LYS 15 3HD LYS 15 -3.063 -2.741 9.334
122 HE2 LYS 15 2HE LYS 15 -3.580 -3.231 6.448
123 HE3 LYS 15 3HE LYS 15 -4.931 -2.719 7.457
124 HZ1 LYS 15 3HZ LYS 15 -4.115 -0.706 6.844
125 HZ2 LYS 15 1HZ LYS 15 -2.520 -1.252 6.693
126 HZ3 LYS 15 2HZ LYS 15 -3.167 -0.946 8.225
127 H GLU 16 H GLU 16 -4.401 -7.517 7.015
128 HA GLU 16 HA GLU 16 -6.276 -6.641 9.075
129 HB2 GLU 16 2HB GLU 16 -6.747 -7.771 6.311
130 HB3 GLU 16 3HB GLU 16 -8.015 -7.243 7.408
131 HG2 GLU 16 2HG GLU 16 -5.854 -5.326 6.717
132 HG3 GLU 16 3HG GLU 16 -7.092 -5.677 5.512
133 H GLY 17 H GLY 17 -5.584 -8.253 10.625
134 HA2 GLY 17 2HA GLY 17 -7.091 -10.727 10.293
135 HA3 GLY 17 3HA GLY 17 -5.361 -10.897 10.547
136 H LEU 18 H LEU 18 -5.017 -11.540 12.565
137 HA LEU 18 HA LEU 18 -6.789 -11.194 14.706
138 HB2 LEU 18 2HB LEU 18 -5.150 -12.948 14.727
139 HB3 LEU 18 3HB LEU 18 -3.834 -11.777 14.668
140 HG LEU 18 HG LEU 18 -4.519 -10.995 16.935
141 HD11 LEU 18 1HD1 LEU 18 -6.511 -13.190 16.569
142 HD12 LEU 18 2HD1 LEU 18 -6.733 -11.570 17.229
143 HD13 LEU 18 3HD1 LEU 18 -5.904 -12.803 18.179
144 HD21 LEU 18 3HD2 LEU 18 -2.800 -12.325 17.419
145 HD22 LEU 18 1HD2 LEU 18 -3.281 -13.511 16.205
146 HD23 LEU 18 2HD2 LEU 18 -3.989 -13.566 17.819
Start of MODEL 20
1 H1 VAL 1 H VAL 1 0.017 1.083 -0.767
2 HA VAL 1 HA VAL 1 -0.049 0.984 -3.544
3 HB VAL 1 HB VAL 1 2.447 0.916 -1.844
4 HG11 VAL 1 1HG1 VAL 1 1.886 1.410 -4.708
5 HG12 VAL 1 2HG1 VAL 1 3.080 2.455 -3.934
6 HG13 VAL 1 3HG1 VAL 1 3.305 0.706 -3.933
7 HG21 VAL 1 3HG2 VAL 1 0.386 2.914 -2.061
8 HG22 VAL 1 1HG2 VAL 1 1.817 2.888 -1.031
9 HG23 VAL 1 2HG2 VAL 1 1.920 3.537 -2.668
10 H PHE 2 H PHE 2 1.487 -1.265 -1.262
11 HA PHE 2 HA PHE 2 2.652 -2.984 -3.118
12 HB2 PHE 2 2HB PHE 2 2.642 -2.883 -0.433
13 HB3 PHE 2 3HB PHE 2 1.500 -4.202 -0.668
14 HD1 PHE 2 HD1 PHE 2 4.937 -3.072 -1.436
15 HD2 PHE 2 HD2 PHE 2 2.239 -6.356 -1.222
16 HE1 PHE 2 HE1 PHE 2 6.814 -4.631 -1.755
17 HE2 PHE 2 HE2 PHE 2 4.111 -7.920 -1.540
18 HZ PHE 2 HZ PHE 2 6.403 -7.058 -1.806
19 H ALA 3 H ALA 3 -0.565 -3.138 -1.618
20 HA ALA 3 HA ALA 3 -1.442 -5.506 -2.800
21 HB1 ALA 3 1HB ALA 3 -2.905 -3.083 -1.803
22 HB2 ALA 3 2HB ALA 3 -3.758 -4.469 -2.484
23 HB3 ALA 3 3HB ALA 3 -2.752 -4.671 -1.050
24 H SER 4 H SER 4 -1.866 -2.152 -3.919
25 HA SER 4 HA SER 4 -3.251 -2.801 -6.284
26 HB2 SER 4 2HB SER 4 -1.538 -0.379 -5.676
27 HB3 SER 4 3HB SER 4 -2.686 -0.509 -7.009
28 HG SER 4 HG SER 4 -4.329 -0.823 -5.407
29 H LEU 5 H LEU 5 0.184 -2.390 -5.584
30 HA LEU 5 HA LEU 5 1.241 -2.383 -8.131
31 HB2 LEU 5 2HB LEU 5 2.223 -3.420 -5.509
32 HB3 LEU 5 3HB LEU 5 3.163 -3.724 -6.969
33 HG LEU 5 HG LEU 5 2.397 -0.986 -5.958
34 HD11 LEU 5 1HD1 LEU 5 5.189 -1.449 -5.885
35 HD12 LEU 5 2HD1 LEU 5 4.400 -2.777 -5.035
36 HD13 LEU 5 3HD1 LEU 5 4.095 -1.111 -4.543
37 HD21 LEU 5 3HD2 LEU 5 2.727 -1.068 -8.365
38 HD22 LEU 5 1HD2 LEU 5 4.278 -1.876 -8.142
39 HD23 LEU 5 2HD2 LEU 5 4.062 -0.216 -7.587
40 HA PRO 6 HA PRO 6 0.595 -6.330 -9.937
41 HB2 PRO 6 2HB PRO 6 2.949 -6.767 -11.216
42 HB3 PRO 6 3HB PRO 6 1.765 -5.574 -11.764
43 HG2 PRO 6 2HG PRO 6 4.261 -5.167 -10.162
44 HG3 PRO 6 3HG PRO 6 3.630 -4.208 -11.513
45 HD2 PRO 6 2HD PRO 6 3.336 -3.454 -8.929
46 HD3 PRO 6 3HD PRO 6 2.129 -3.080 -10.177
47 H GLY 7 H GLY 7 2.921 -5.888 -7.514
48 HA2 GLY 7 2HA GLY 7 4.176 -8.415 -7.465
49 HA3 GLY 7 3HA GLY 7 4.017 -7.323 -6.096
50 H ILE 8 H ILE 8 2.737 -7.918 -4.465
51 HA ILE 8 HA ILE 8 0.560 -9.804 -4.945
52 HB ILE 8 HB ILE 8 1.240 -11.224 -3.046
53 HG12 ILE 8 2HG1 ILE 8 2.786 -9.276 -2.178
54 HG13 ILE 8 3HG1 ILE 8 3.202 -10.956 -1.859
55 HG21 ILE 8 1HG2 ILE 8 3.175 -12.330 -4.211
56 HG22 ILE 8 2HG2 ILE 8 1.753 -12.046 -5.212
57 HG23 ILE 8 3HG2 ILE 8 3.156 -10.988 -5.354
58 HD11 ILE 8 3HD1 ILE 8 4.977 -10.928 -3.282
59 HD12 ILE 8 1HD1 ILE 8 4.271 -9.690 -4.320
60 HD13 ILE 8 2HD1 ILE 8 4.974 -9.242 -2.765
61 H ILE 9 H ILE 9 -0.396 -10.294 -2.548
62 HA ILE 9 HA ILE 9 -0.716 -7.658 -1.266
63 HB ILE 9 HB ILE 9 -3.038 -8.685 -0.609
64 HG12 ILE 9 2HG1 ILE 9 -3.976 -10.094 -2.401
65 HG13 ILE 9 3HG1 ILE 9 -2.401 -10.142 -3.185
66 HG21 ILE 9 1HG2 ILE 9 -2.193 -7.331 -3.123
67 HG22 ILE 9 2HG2 ILE 9 -3.874 -7.829 -2.948
68 HG23 ILE 9 3HG2 ILE 9 -3.159 -6.718 -1.780
69 HD11 ILE 9 3HD1 ILE 9 -3.012 -11.231 -0.448
70 HD12 ILE 9 1HD1 ILE 9 -2.889 -12.183 -1.927
71 HD13 ILE 9 2HD1 ILE 9 -1.472 -11.339 -1.301
72 H PHE 10 H PHE 10 1.015 -10.068 -0.671
73 HA PHE 10 HA PHE 10 0.125 -11.474 1.549
74 HB2 PHE 10 2HB PHE 10 2.691 -10.909 0.289
75 HB3 PHE 10 3HB PHE 10 2.830 -11.082 2.035
76 HD1 PHE 10 HD2 PHE 10 0.987 -12.782 -0.734
77 HD2 PHE 10 HD1 PHE 10 3.396 -13.175 2.753
78 HE1 PHE 10 HE2 PHE 10 0.934 -15.230 -0.977
79 HE2 PHE 10 HE1 PHE 10 3.347 -15.624 2.515
80 HZ PHE 10 HZ PHE 10 2.114 -16.654 0.649
81 H THR 11 H THR 11 1.845 -8.371 1.425
82 HA THR 11 HA THR 11 2.138 -7.924 4.147
83 HB THR 11 HB THR 11 3.210 -6.482 2.513
84 HG1 THR 11 HG1 THR 11 2.935 -5.482 4.481
85 HG21 THR 11 3HG2 THR 11 0.760 -4.930 1.943
86 HG22 THR 11 1HG2 THR 11 0.894 -6.494 1.142
87 HG23 THR 11 2HG2 THR 11 2.149 -5.276 0.912
88 H ARG 12 H ARG 12 -0.632 -7.295 2.050
89 HA ARG 12 HA ARG 12 -2.178 -5.873 3.933
90 HB2 ARG 12 2HB ARG 12 -2.659 -7.208 1.335
91 HB3 ARG 12 3HB ARG 12 -4.068 -7.001 2.366
92 HG2 ARG 12 2HG ARG 12 -3.798 -5.157 0.782
93 HG3 ARG 12 3HG ARG 12 -3.693 -4.613 2.457
94 HD2 ARG 12 2HD ARG 12 -1.233 -4.652 2.285
95 HD3 ARG 12 3HD ARG 12 -1.378 -5.123 0.592
96 HE ARG 12 HE ARG 12 -1.898 -2.951 0.061
97 HH11 ARG 12 1HH1 ARG 12 -2.103 -3.384 3.509
98 HH12 ARG 12 2HH1 ARG 12 -2.283 -1.693 3.842
99 HH21 ARG 12 1HH2 ARG 12 -2.134 -0.723 0.486
100 HH22 ARG 12 2HH2 ARG 12 -2.301 -0.180 2.121
101 H SER 13 H SER 13 -2.046 -9.313 3.082
102 HA SER 13 HA SER 13 -4.130 -10.172 4.757
103 HB2 SER 13 2HB SER 13 -1.706 -11.599 3.658
104 HB3 SER 13 3HB SER 13 -2.938 -12.419 4.616
105 HG SER 13 HG SER 13 -3.715 -12.673 2.636
106 H GLN 14 H GLN 14 -0.648 -9.865 5.326
107 HA GLN 14 HA GLN 14 -0.609 -10.990 7.901
108 HB2 GLN 14 2HB GLN 14 1.333 -10.299 6.274
109 HB3 GLN 14 3HB GLN 14 1.257 -8.775 7.148
110 HG2 GLN 14 2HG GLN 14 1.498 -11.378 8.603
111 HG3 GLN 14 3HG GLN 14 2.913 -10.568 7.933
112 HE21 GLN 14 1HE2 GLN 14 3.517 -8.540 8.760
113 HE22 GLN 14 2HE2 GLN 14 2.992 -8.011 10.318
114 H LYS 15 H LYS 15 -0.853 -7.600 6.854
115 HA LYS 15 HA LYS 15 -0.934 -6.405 9.364
116 HB2 LYS 15 2HB LYS 15 -0.804 -5.305 7.054
117 HB3 LYS 15 3HB LYS 15 -2.558 -5.437 7.017
118 HG2 LYS 15 2HG LYS 15 -1.302 -4.164 9.388
119 HG3 LYS 15 3HG LYS 15 -1.345 -3.260 7.872
120 HD2 LYS 15 2HD LYS 15 -3.781 -3.612 7.761
121 HD3 LYS 15 3HD LYS 15 -3.715 -4.459 9.308
122 HE2 LYS 15 2HE LYS 15 -2.621 -2.315 10.202
123 HE3 LYS 15 3HE LYS 15 -3.214 -1.557 8.726
124 HZ1 LYS 15 3HZ LYS 15 -4.759 -1.276 10.568
125 HZ2 LYS 15 1HZ LYS 15 -4.897 -2.954 10.736
126 HZ3 LYS 15 2HZ LYS 15 -5.457 -2.196 9.332
127 H GLU 16 H GLU 16 -3.639 -7.547 7.352
128 HA GLU 16 HA GLU 16 -5.749 -6.817 8.974
129 HB2 GLU 16 2HB GLU 16 -5.631 -8.063 6.641
130 HB3 GLU 16 3HB GLU 16 -5.839 -9.489 7.648
131 HG2 GLU 16 2HG GLU 16 -7.814 -8.065 8.655
132 HG3 GLU 16 3HG GLU 16 -7.726 -7.269 7.085
133 H GLY 17 H GLY 17 -6.896 -7.802 10.643
134 HA2 GLY 17 2HA GLY 17 -6.325 -10.323 11.746
135 HA3 GLY 17 3HA GLY 17 -5.379 -9.118 12.606
136 H LEU 18 H LEU 18 -7.103 -10.492 14.087
137 HA LEU 18 HA LEU 18 -9.545 -8.883 14.310
138 HB2 LEU 18 2HB LEU 18 -8.757 -11.522 15.529
139 HB3 LEU 18 3HB LEU 18 -10.245 -10.665 15.923
140 HG LEU 18 HG LEU 18 -9.628 -11.443 13.095
141 HD11 LEU 18 1HD1 LEU 18 -10.442 -13.196 15.342
142 HD12 LEU 18 2HD1 LEU 18 -9.509 -13.567 13.892
143 HD13 LEU 18 3HD1 LEU 18 -11.263 -13.411 13.796
144 HD21 LEU 18 3HD2 LEU 18 -11.475 -10.109 13.032
145 HD22 LEU 18 1HD2 LEU 18 -11.981 -10.539 14.666
146 HD23 LEU 18 2HD2 LEU 18 -12.256 -11.662 13.333