Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
609515 | 2n9m RC | 25911 | cing | 1-original | 4 | 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 2.754 -0.857 -1.226
3 HB VAL 1 HB VAL 1 1.760 0.053 -3.356
4 HG11 VAL 1 1HG1 VAL 1 0.648 -1.877 -3.579
5 HG12 VAL 1 2HG1 VAL 1 1.143 -2.191 -1.914
6 HG13 VAL 1 3HG1 VAL 1 -0.448 -1.505 -2.249
7 HG21 VAL 1 3HG2 VAL 1 0.451 1.827 -1.970
8 HG22 VAL 1 1HG2 VAL 1 -0.285 1.125 -3.411
9 HG23 VAL 1 2HG2 VAL 1 -0.751 0.547 -1.812
10 H ALA 2 H ALA 2 4.417 0.231 -2.220
11 HA ALA 2 HA ALA 2 4.535 3.137 -1.728
12 HB1 ALA 2 1HB ALA 2 6.075 1.628 -0.359
13 HB2 ALA 2 2HB ALA 2 6.958 1.371 -1.864
14 HB3 ALA 2 3HB ALA 2 6.810 2.996 -1.195
15 H ARG 3 H ARG 3 3.416 2.863 -3.973
16 HA ARG 3 HA ARG 3 4.853 2.105 -6.240
17 HB2 ARG 3 2HB ARG 3 2.649 4.129 -5.860
18 HB3 ARG 3 3HB ARG 3 3.302 3.722 -7.442
19 HG2 ARG 3 2HG ARG 3 2.001 1.939 -7.569
20 HG3 ARG 3 3HG ARG 3 2.632 1.321 -6.042
21 HD2 ARG 3 2HD ARG 3 0.475 1.568 -5.402
22 HD3 ARG 3 3HD ARG 3 1.005 3.222 -5.098
23 HE ARG 3 HE ARG 3 0.138 3.082 -7.742
24 HH11 ARG 3 1HH1 ARG 3 -1.176 2.775 -4.532
25 HH12 ARG 3 2HH1 ARG 3 -2.754 3.329 -4.984
26 HH21 ARG 3 2HH2 ARG 3 -3.185 3.919 -7.155
27 HH22 ARG 3 1HH2 ARG 3 -1.936 3.814 -8.349
28 H GLY 4 H GLY 4 5.039 4.973 -4.289
29 HA2 GLY 4 2HA GLY 4 6.689 6.336 -6.293
30 HA3 GLY 4 3HA GLY 4 6.045 7.054 -4.825
31 H TRP 5 H TRP 5 7.597 3.948 -4.728
32 HA TRP 5 HA TRP 5 9.504 4.862 -2.817
33 HB2 TRP 5 2HB TRP 5 8.578 2.580 -2.764
34 HB3 TRP 5 3HB TRP 5 9.368 2.227 -4.298
35 HD1 TRP 5 HD1 TRP 5 11.266 4.168 -1.619
36 HE1 TRP 5 HE1 TRP 5 13.185 2.699 -0.734
37 HE3 TRP 5 HE3 TRP 5 10.063 -0.224 -3.941
38 HZ2 TRP 5 HZ2 TRP 5 14.072 0.031 -0.987
39 HZ3 TRP 5 HZ3 TRP 5 11.498 -2.188 -3.567
40 HH2 TRP 5 HH2 TRP 5 13.461 -2.060 -2.121
41 H LYS 6 H LYS 6 9.550 4.287 -6.260
42 HA LYS 6 HA LYS 6 12.395 5.057 -6.316
43 HB2 LYS 6 2HB LYS 6 12.526 3.878 -8.488
44 HB3 LYS 6 3HB LYS 6 12.101 2.806 -7.160
45 HG2 LYS 6 2HG LYS 6 10.434 2.093 -8.438
46 HG3 LYS 6 3HG LYS 6 9.654 3.645 -8.124
47 HD2 LYS 6 2HD LYS 6 9.671 3.877 -10.356
48 HD3 LYS 6 3HD LYS 6 11.377 4.280 -10.145
49 HE2 LYS 6 2HE LYS 6 12.053 2.067 -10.662
50 HE3 LYS 6 3HE LYS 6 10.401 1.462 -10.549
51 HZ1 LYS 6 3HZ LYS 6 9.853 2.855 -12.492
52 HZ2 LYS 6 1HZ LYS 6 11.008 1.669 -12.840
53 HZ3 LYS 6 2HZ LYS 6 11.484 3.279 -12.632
54 H ARG 7 H ARG 7 9.193 5.678 -7.509
55 HA ARG 7 HA ARG 7 9.770 7.292 -9.714
56 HB2 ARG 7 2HB ARG 7 7.480 6.512 -8.315
57 HB3 ARG 7 3HB ARG 7 7.487 8.268 -8.219
58 HG2 ARG 7 2HG ARG 7 6.226 7.622 -10.137
59 HG3 ARG 7 3HG ARG 7 7.740 8.341 -10.690
60 HD2 ARG 7 2HD ARG 7 8.646 5.980 -10.836
61 HD3 ARG 7 3HD ARG 7 6.987 5.430 -10.602
62 HE ARG 7 HE ARG 7 8.118 6.551 -12.990
63 HH11 ARG 7 1HH1 ARG 7 5.183 6.044 -11.187
64 HH12 ARG 7 2HH1 ARG 7 4.157 6.141 -12.579
65 HH21 ARG 7 2HH2 ARG 7 5.065 6.502 -14.652
66 HH22 ARG 7 1HH2 ARG 7 6.777 6.681 -14.831
67 H LYS 8 H LYS 8 9.799 7.987 -6.285
68 HA LYS 8 HA LYS 8 10.612 10.755 -6.886
69 HB2 LYS 8 2HB LYS 8 9.379 9.674 -4.345
70 HB3 LYS 8 3HB LYS 8 9.835 11.348 -4.637
71 HG2 LYS 8 2HG LYS 8 7.807 11.726 -5.428
72 HG3 LYS 8 3HG LYS 8 8.139 10.607 -6.752
73 HD2 LYS 8 2HD LYS 8 6.157 9.834 -5.714
74 HD3 LYS 8 3HD LYS 8 7.444 8.747 -5.186
75 HE2 LYS 8 2HE LYS 8 6.371 9.169 -3.196
76 HE3 LYS 8 3HE LYS 8 7.622 10.411 -3.178
77 HZ1 LYS 8 3HZ LYS 8 5.309 11.156 -2.589
78 HZ2 LYS 8 1HZ LYS 8 4.894 10.917 -4.212
79 HZ3 LYS 8 2HZ LYS 8 6.079 12.052 -3.800
80 H CYS 9 H CYS 9 11.352 7.830 -5.114
81 HA CYS 9 HA CYS 9 13.925 9.021 -4.311
82 HB2 CYS 9 2HB CYS 9 12.167 8.179 -2.538
83 HB3 CYS 9 3HB CYS 9 12.820 6.598 -2.949
84 HG CYS 9 HG CYS 9 13.924 7.839 -0.548
85 HA PRO 10 HA PRO 10 14.763 5.662 -7.407
86 HB2 PRO 10 2HB PRO 10 16.590 7.093 -8.816
87 HB3 PRO 10 3HB PRO 10 14.854 7.173 -9.136
88 HG2 PRO 10 2HG PRO 10 16.581 9.054 -7.574
89 HG3 PRO 10 3HG PRO 10 15.297 9.421 -8.741
90 HD2 PRO 10 2HD PRO 10 14.906 9.531 -6.064
91 HD3 PRO 10 3HD PRO 10 13.621 9.071 -7.199
92 H LEU 11 H LEU 11 16.660 7.635 -5.280
93 HA LEU 11 HA LEU 11 19.157 6.341 -5.619
94 HB2 LEU 11 2HB LEU 11 18.398 8.569 -4.363
95 HB3 LEU 11 3HB LEU 11 18.438 7.481 -2.978
96 HG LEU 11 HG LEU 11 20.847 6.936 -3.923
97 HD11 LEU 11 1HD1 LEU 11 21.618 8.276 -5.508
98 HD12 LEU 11 2HD1 LEU 11 21.246 9.696 -4.532
99 HD13 LEU 11 3HD1 LEU 11 20.027 9.030 -5.618
100 HD21 LEU 11 3HD2 LEU 11 19.913 9.191 -2.197
101 HD22 LEU 11 1HD2 LEU 11 21.632 8.983 -2.532
102 HD23 LEU 11 2HD2 LEU 11 20.725 7.692 -1.742
103 H PHE 12 H PHE 12 16.323 5.646 -3.700
104 HA PHE 12 HA PHE 12 17.687 3.269 -2.617
105 HB2 PHE 12 2HB PHE 12 15.467 4.938 -1.431
106 HB3 PHE 12 3HB PHE 12 15.930 3.360 -0.801
107 HD1 PHE 12 HD1 PHE 12 18.829 3.419 -0.939
108 HD2 PHE 12 HD2 PHE 12 16.094 6.493 0.152
109 HE1 PHE 12 HE1 PHE 12 20.573 4.478 0.436
110 HE2 PHE 12 HE2 PHE 12 17.834 7.557 1.527
111 HZ PHE 12 HZ PHE 12 20.077 6.550 1.670
112 H GLY 13 H GLY 13 16.263 3.616 -5.194
113 HA2 GLY 13 2HA GLY 13 14.006 1.765 -4.762
114 HA3 GLY 13 3HA GLY 13 14.162 2.850 -6.135
115 H LYS 14 H LYS 14 16.843 0.973 -4.911
116 HA LYS 14 HA LYS 14 17.497 -0.100 -7.413
117 HB2 LYS 14 2HB LYS 14 18.245 -1.169 -4.685
118 HB3 LYS 14 3HB LYS 14 19.061 -1.538 -6.198
119 HG2 LYS 14 2HG LYS 14 19.837 0.709 -6.411
120 HG3 LYS 14 3HG LYS 14 18.851 1.232 -5.043
121 HD2 LYS 14 2HD LYS 14 20.172 -0.070 -3.518
122 HD3 LYS 14 3HD LYS 14 21.066 -0.807 -4.851
123 HE2 LYS 14 2HE LYS 14 21.867 1.488 -5.459
124 HE3 LYS 14 3HE LYS 14 21.127 2.076 -3.971
125 HZ1 LYS 14 3HZ LYS 14 23.033 1.566 -2.986
126 HZ2 LYS 14 1HZ LYS 14 23.612 0.733 -4.340
127 HZ3 LYS 14 2HZ LYS 14 22.650 -0.067 -3.202
128 H GLY 15 H GLY 15 15.354 -1.229 -4.910
129 HA2 GLY 15 2HA GLY 15 14.968 -3.757 -6.378
130 HA3 GLY 15 3HA GLY 15 14.557 -3.501 -4.689
131 H GLY 16 H GLY 16 13.821 -1.386 -7.430
132 HA2 GLY 16 2HA GLY 16 11.106 -1.106 -6.618
133 HA3 GLY 16 3HA GLY 16 11.810 -0.497 -8.109
Start of MODEL 2
1 H1 VAL 1 H VAL 1 1.719 -1.127 -2.280
2 HA VAL 1 HA VAL 1 0.741 0.913 -1.719
3 HB VAL 1 HB VAL 1 2.559 0.984 0.690
4 HG11 VAL 1 1HG1 VAL 1 0.122 2.582 -0.082
5 HG12 VAL 1 2HG1 VAL 1 0.900 2.646 1.500
6 HG13 VAL 1 3HG1 VAL 1 1.778 3.170 0.062
7 HG21 VAL 1 3HG2 VAL 1 1.068 -0.956 0.795
8 HG22 VAL 1 1HG2 VAL 1 0.632 0.259 1.997
9 HG23 VAL 1 2HG2 VAL 1 -0.321 0.096 0.522
10 H ALA 2 H ALA 2 4.173 0.281 -1.546
11 HA ALA 2 HA ALA 2 4.867 2.993 -2.322
12 HB1 ALA 2 1HB ALA 2 6.538 0.544 -1.794
13 HB2 ALA 2 2HB ALA 2 7.205 2.098 -2.298
14 HB3 ALA 2 3HB ALA 2 6.347 1.963 -0.763
15 H ARG 3 H ARG 3 3.284 2.191 -4.257
16 HA ARG 3 HA ARG 3 4.343 0.661 -6.340
17 HB2 ARG 3 2HB ARG 3 2.733 1.907 -7.789
18 HB3 ARG 3 3HB ARG 3 2.011 1.229 -6.336
19 HG2 ARG 3 2HG ARG 3 2.217 3.471 -5.271
20 HG3 ARG 3 3HG ARG 3 2.754 4.102 -6.829
21 HD2 ARG 3 2HD ARG 3 0.183 2.583 -6.588
22 HD3 ARG 3 3HD ARG 3 0.257 4.298 -6.186
23 HE ARG 3 HE ARG 3 1.419 3.973 -8.694
24 HH11 ARG 3 1HH1 ARG 3 -1.696 3.590 -7.187
25 HH12 ARG 3 2HH1 ARG 3 -2.584 3.928 -8.635
26 HH21 ARG 3 2HH2 ARG 3 -1.469 4.399 -10.581
27 HH22 ARG 3 1HH2 ARG 3 0.261 4.420 -10.608
28 H GLY 4 H GLY 4 4.863 4.004 -5.445
29 HA2 GLY 4 2HA GLY 4 6.621 4.321 -7.797
30 HA3 GLY 4 3HA GLY 4 5.825 5.651 -6.969
31 H TRP 5 H TRP 5 7.704 2.902 -5.720
32 HA TRP 5 HA TRP 5 8.983 4.289 -3.698
33 HB2 TRP 5 2HB TRP 5 8.964 1.703 -4.500
34 HB3 TRP 5 3HB TRP 5 10.584 2.173 -5.006
35 HD1 TRP 5 HD1 TRP 5 11.247 4.110 -2.533
36 HE1 TRP 5 HE1 TRP 5 11.722 3.065 -0.229
37 HE3 TRP 5 HE3 TRP 5 8.984 -0.422 -3.217
38 HZ2 TRP 5 HZ2 TRP 5 11.205 0.639 1.119
39 HZ3 TRP 5 HZ3 TRP 5 9.019 -2.049 -1.371
40 HH2 TRP 5 HH2 TRP 5 10.108 -1.527 0.751
41 H LYS 6 H LYS 6 9.758 4.105 -7.096
42 HA LYS 6 HA LYS 6 12.257 5.572 -6.670
43 HB2 LYS 6 2HB LYS 6 12.678 5.127 -9.063
44 HB3 LYS 6 3HB LYS 6 12.417 3.651 -8.143
45 HG2 LYS 6 2HG LYS 6 10.957 3.082 -9.714
46 HG3 LYS 6 3HG LYS 6 9.890 4.312 -9.034
47 HD2 LYS 6 2HD LYS 6 9.947 4.980 -11.227
48 HD3 LYS 6 3HD LYS 6 11.298 5.914 -10.578
49 HE2 LYS 6 2HE LYS 6 12.519 5.004 -12.210
50 HE3 LYS 6 3HE LYS 6 12.463 3.516 -11.267
51 HZ1 LYS 6 3HZ LYS 6 11.361 2.572 -12.919
52 HZ2 LYS 6 1HZ LYS 6 11.371 4.015 -13.802
53 HZ3 LYS 6 2HZ LYS 6 10.099 3.684 -12.738
54 H ARG 7 H ARG 7 9.019 5.959 -7.830
55 HA ARG 7 HA ARG 7 9.216 8.138 -9.511
56 HB2 ARG 7 2HB ARG 7 7.079 7.526 -7.462
57 HB3 ARG 7 3HB ARG 7 6.918 8.725 -8.739
58 HG2 ARG 7 2HG ARG 7 7.290 5.761 -9.114
59 HG3 ARG 7 3HG ARG 7 5.798 6.673 -9.354
60 HD2 ARG 7 2HD ARG 7 7.237 8.064 -11.018
61 HD3 ARG 7 3HD ARG 7 8.297 6.655 -10.996
62 HE ARG 7 HE ARG 7 5.641 5.835 -11.456
63 HH11 ARG 7 1HH1 ARG 7 8.273 7.491 -13.022
64 HH12 ARG 7 2HH1 ARG 7 7.785 7.029 -14.619
65 HH21 ARG 7 2HH2 ARG 7 5.916 5.738 -14.920
66 HH22 ARG 7 1HH2 ARG 7 4.988 5.221 -13.553
67 H LYS 8 H LYS 8 9.545 7.995 -6.044
68 HA LYS 8 HA LYS 8 9.971 10.912 -5.997
69 HB2 LYS 8 2HB LYS 8 9.080 9.151 -3.706
70 HB3 LYS 8 3HB LYS 8 9.285 10.897 -3.657
71 HG2 LYS 8 2HG LYS 8 7.142 11.081 -4.178
72 HG3 LYS 8 3HG LYS 8 7.536 10.441 -5.775
73 HD2 LYS 8 2HD LYS 8 5.783 9.091 -4.922
74 HD3 LYS 8 3HD LYS 8 7.260 8.135 -4.787
75 HE2 LYS 8 2HE LYS 8 6.034 7.876 -2.755
76 HE3 LYS 8 3HE LYS 8 7.437 8.887 -2.412
77 HZ1 LYS 8 3HZ LYS 8 6.089 10.814 -2.376
78 HZ2 LYS 8 1HZ LYS 8 5.296 9.663 -1.424
79 HZ3 LYS 8 2HZ LYS 8 4.746 9.989 -2.990
80 H CYS 9 H CYS 9 11.132 7.765 -4.987
81 HA CYS 9 HA CYS 9 13.645 9.035 -4.116
82 HB2 CYS 9 2HB CYS 9 12.592 6.376 -3.143
83 HB3 CYS 9 3HB CYS 9 13.965 7.279 -2.512
84 HG CYS 9 HG CYS 9 12.126 7.597 -0.563
85 HA PRO 10 HA PRO 10 14.491 6.382 -7.833
86 HB2 PRO 10 2HB PRO 10 16.078 8.208 -9.065
87 HB3 PRO 10 3HB PRO 10 14.320 8.183 -9.249
88 HG2 PRO 10 2HG PRO 10 16.016 9.902 -7.480
89 HG3 PRO 10 3HG PRO 10 14.617 10.354 -8.470
90 HD2 PRO 10 2HD PRO 10 14.439 9.941 -5.800
91 HD3 PRO 10 3HD PRO 10 13.105 9.577 -6.914
92 H LEU 11 H LEU 11 16.348 8.024 -5.439
93 HA LEU 11 HA LEU 11 18.883 6.888 -6.218
94 HB2 LEU 11 2HB LEU 11 18.317 9.092 -4.880
95 HB3 LEU 11 3HB LEU 11 18.403 8.000 -3.500
96 HG LEU 11 HG LEU 11 20.728 7.369 -4.560
97 HD11 LEU 11 1HD1 LEU 11 21.613 8.746 -6.081
98 HD12 LEU 11 2HD1 LEU 11 20.970 10.186 -5.292
99 HD13 LEU 11 3HD1 LEU 11 19.950 9.250 -6.384
100 HD21 LEU 11 3HD2 LEU 11 21.679 9.395 -3.265
101 HD22 LEU 11 1HD2 LEU 11 20.729 8.192 -2.391
102 HD23 LEU 11 2HD2 LEU 11 19.993 9.724 -2.863
103 H PHE 12 H PHE 12 16.240 6.055 -4.133
104 HA PHE 12 HA PHE 12 17.777 3.757 -3.114
105 HB2 PHE 12 2HB PHE 12 16.325 5.674 -1.694
106 HB3 PHE 12 3HB PHE 12 15.287 4.252 -1.708
107 HD1 PHE 12 HD1 PHE 12 18.300 5.749 -0.395
108 HD2 PHE 12 HD2 PHE 12 16.111 2.117 -0.760
109 HE1 PHE 12 HE1 PHE 12 19.632 4.767 1.426
110 HE2 PHE 12 HE2 PHE 12 17.439 1.129 1.060
111 HZ PHE 12 HZ PHE 12 19.202 2.455 2.156
112 H GLY 13 H GLY 13 16.331 4.006 -5.685
113 HA2 GLY 13 2HA GLY 13 14.148 2.074 -5.280
114 HA3 GLY 13 3HA GLY 13 14.373 3.073 -6.708
115 H LYS 14 H LYS 14 17.039 1.380 -5.234
116 HA LYS 14 HA LYS 14 17.247 -0.275 -7.647
117 HB2 LYS 14 2HB LYS 14 19.598 -0.645 -6.893
118 HB3 LYS 14 3HB LYS 14 19.213 1.039 -7.219
119 HG2 LYS 14 2HG LYS 14 19.848 1.609 -5.180
120 HG3 LYS 14 3HG LYS 14 18.684 0.487 -4.472
121 HD2 LYS 14 2HD LYS 14 20.666 -0.330 -3.630
122 HD3 LYS 14 3HD LYS 14 20.488 -1.306 -5.090
123 HE2 LYS 14 2HE LYS 14 21.818 1.030 -5.884
124 HE3 LYS 14 3HE LYS 14 22.570 0.543 -4.366
125 HZ1 LYS 14 3HZ LYS 14 23.615 -0.452 -6.348
126 HZ2 LYS 14 1HZ LYS 14 22.170 -1.263 -6.687
127 HZ3 LYS 14 2HZ LYS 14 23.022 -1.612 -5.269
128 H GLY 15 H GLY 15 16.841 -0.439 -4.193
129 HA2 GLY 15 2HA GLY 15 17.528 -3.144 -3.793
130 HA3 GLY 15 3HA GLY 15 16.460 -2.198 -2.768
131 H GLY 16 H GLY 16 14.261 -2.415 -2.959
132 HA2 GLY 16 2HA GLY 16 12.496 -3.115 -4.696
133 HA3 GLY 16 3HA GLY 16 13.388 -4.629 -4.695
Start of MODEL 3
1 H1 VAL 1 H VAL 1 3.714 -2.821 -3.351
2 HA VAL 1 HA VAL 1 1.929 -0.656 -2.784
3 HB VAL 1 HB VAL 1 4.100 -1.848 -1.054
4 HG11 VAL 1 1HG1 VAL 1 3.679 -0.110 0.277
5 HG12 VAL 1 2HG1 VAL 1 2.283 0.385 -0.681
6 HG13 VAL 1 3HG1 VAL 1 2.103 -0.844 0.571
7 HG21 VAL 1 3HG2 VAL 1 1.320 -2.656 -1.672
8 HG22 VAL 1 1HG2 VAL 1 2.718 -3.638 -1.235
9 HG23 VAL 1 2HG2 VAL 1 1.827 -2.768 0.013
10 H ALA 2 H ALA 2 5.330 -0.968 -3.494
11 HA ALA 2 HA ALA 2 5.705 1.909 -3.000
12 HB1 ALA 2 1HB ALA 2 7.725 -0.318 -3.196
13 HB2 ALA 2 2HB ALA 2 8.136 1.391 -3.046
14 HB3 ALA 2 3HB ALA 2 7.259 0.577 -1.749
15 H ARG 3 H ARG 3 4.354 1.781 -5.170
16 HA ARG 3 HA ARG 3 5.999 1.321 -7.510
17 HB2 ARG 3 2HB ARG 3 3.159 2.287 -7.168
18 HB3 ARG 3 3HB ARG 3 3.943 2.115 -8.733
19 HG2 ARG 3 2HG ARG 3 3.712 -0.113 -8.746
20 HG3 ARG 3 3HG ARG 3 4.082 -0.264 -7.027
21 HD2 ARG 3 2HD ARG 3 1.898 -0.791 -6.868
22 HD3 ARG 3 3HD ARG 3 1.682 0.959 -6.901
23 HE ARG 3 HE ARG 3 1.680 0.154 -9.534
24 HH11 ARG 3 1HH1 ARG 3 -0.197 -0.522 -6.681
25 HH12 ARG 3 2HH1 ARG 3 -1.658 -0.837 -7.558
26 HH21 ARG 3 2HH2 ARG 3 -1.679 -0.689 -9.844
27 HH22 ARG 3 1HH2 ARG 3 -0.236 -0.259 -10.700
28 H GLY 4 H GLY 4 4.944 3.985 -5.540
29 HA2 GLY 4 2HA GLY 4 6.079 5.889 -7.484
30 HA3 GLY 4 3HA GLY 4 4.938 6.304 -6.213
31 H TRP 5 H TRP 5 7.718 4.231 -5.712
32 HA TRP 5 HA TRP 5 8.693 6.064 -3.684
33 HB2 TRP 5 2HB TRP 5 8.591 3.349 -3.786
34 HB3 TRP 5 3HB TRP 5 10.257 3.633 -4.283
35 HD1 TRP 5 HD1 TRP 5 11.871 3.579 -2.312
36 HE1 TRP 5 HE1 TRP 5 11.760 4.156 0.194
37 HE3 TRP 5 HE3 TRP 5 7.021 5.177 -2.061
38 HZ2 TRP 5 HZ2 TRP 5 9.867 5.156 2.033
39 HZ3 TRP 5 HZ3 TRP 5 6.137 5.927 0.109
40 HH2 TRP 5 HH2 TRP 5 7.532 5.916 2.113
41 H LYS 6 H LYS 6 9.512 5.019 -6.895
42 HA LYS 6 HA LYS 6 12.194 6.066 -6.829
43 HB2 LYS 6 2HB LYS 6 10.554 5.321 -9.254
44 HB3 LYS 6 3HB LYS 6 12.304 5.460 -9.155
45 HG2 LYS 6 2HG LYS 6 12.466 3.327 -8.603
46 HG3 LYS 6 3HG LYS 6 11.431 3.587 -7.197
47 HD2 LYS 6 2HD LYS 6 9.509 3.499 -8.972
48 HD3 LYS 6 3HD LYS 6 10.713 2.646 -9.940
49 HE2 LYS 6 2HE LYS 6 10.554 1.689 -7.189
50 HE3 LYS 6 3HE LYS 6 9.039 1.513 -8.073
51 HZ1 LYS 6 3HZ LYS 6 10.863 0.645 -9.858
52 HZ2 LYS 6 1HZ LYS 6 9.961 -0.356 -8.834
53 HZ3 LYS 6 2HZ LYS 6 11.529 0.104 -8.400
54 H ARG 7 H ARG 7 9.031 7.250 -7.602
55 HA ARG 7 HA ARG 7 9.592 9.359 -9.309
56 HB2 ARG 7 2HB ARG 7 7.571 9.390 -7.062
57 HB3 ARG 7 3HB ARG 7 7.539 10.379 -8.516
58 HG2 ARG 7 2HG ARG 7 7.241 7.385 -8.397
59 HG3 ARG 7 3HG ARG 7 5.951 8.557 -8.676
60 HD2 ARG 7 2HD ARG 7 8.361 8.194 -10.451
61 HD3 ARG 7 3HD ARG 7 6.778 7.479 -10.751
62 HE ARG 7 HE ARG 7 6.564 10.284 -10.419
63 HH11 ARG 7 1HH1 ARG 7 7.591 7.851 -12.687
64 HH12 ARG 7 2HH1 ARG 7 7.290 8.836 -14.080
65 HH21 ARG 7 2HH2 ARG 7 6.480 10.964 -13.827
66 HH22 ARG 7 1HH2 ARG 7 6.165 11.592 -12.245
67 H LYS 8 H LYS 8 10.089 9.080 -5.858
68 HA LYS 8 HA LYS 8 11.198 11.810 -5.831
69 HB2 LYS 8 2HB LYS 8 10.042 10.200 -3.548
70 HB3 LYS 8 3HB LYS 8 10.783 11.787 -3.386
71 HG2 LYS 8 2HG LYS 8 8.831 12.734 -3.798
72 HG3 LYS 8 3HG LYS 8 8.799 11.978 -5.393
73 HD2 LYS 8 2HD LYS 8 6.936 10.978 -4.622
74 HD3 LYS 8 3HD LYS 8 8.071 9.893 -3.814
75 HE2 LYS 8 2HE LYS 8 6.924 12.399 -2.589
76 HE3 LYS 8 3HE LYS 8 6.291 10.775 -2.322
77 HZ1 LYS 8 3HZ LYS 8 7.679 10.904 -0.560
78 HZ2 LYS 8 1HZ LYS 8 8.722 12.013 -1.297
79 HZ3 LYS 8 2HZ LYS 8 8.817 10.371 -1.692
80 H CYS 9 H CYS 9 11.721 8.452 -5.012
81 HA CYS 9 HA CYS 9 14.504 9.108 -4.299
82 HB2 CYS 9 2HB CYS 9 12.553 7.223 -3.100
83 HB3 CYS 9 3HB CYS 9 14.214 6.657 -3.225
84 HG CYS 9 HG CYS 9 13.557 7.744 -0.640
85 HA PRO 10 HA PRO 10 14.513 6.611 -8.215
86 HB2 PRO 10 2HB PRO 10 16.361 8.153 -9.470
87 HB3 PRO 10 3HB PRO 10 14.629 8.504 -9.511
88 HG2 PRO 10 2HG PRO 10 16.767 9.707 -7.794
89 HG3 PRO 10 3HG PRO 10 15.429 10.506 -8.640
90 HD2 PRO 10 2HD PRO 10 15.352 9.950 -5.991
91 HD3 PRO 10 3HD PRO 10 13.898 9.948 -7.010
92 H LEU 11 H LEU 11 16.897 7.739 -5.963
93 HA LEU 11 HA LEU 11 19.047 6.130 -6.989
94 HB2 LEU 11 2HB LEU 11 18.656 7.719 -4.471
95 HB3 LEU 11 3HB LEU 11 20.090 6.730 -4.741
96 HG LEU 11 HG LEU 11 19.326 8.817 -6.742
97 HD11 LEU 11 1HD1 LEU 11 21.020 10.249 -5.367
98 HD12 LEU 11 2HD1 LEU 11 20.463 9.256 -4.020
99 HD13 LEU 11 3HD1 LEU 11 19.311 10.232 -4.932
100 HD21 LEU 11 3HD2 LEU 11 21.108 7.194 -7.240
101 HD22 LEU 11 1HD2 LEU 11 21.981 7.734 -5.806
102 HD23 LEU 11 2HD2 LEU 11 21.714 8.849 -7.147
103 H PHE 12 H PHE 12 16.459 5.731 -4.715
104 HA PHE 12 HA PHE 12 17.555 3.111 -3.934
105 HB2 PHE 12 2HB PHE 12 15.709 4.996 -2.471
106 HB3 PHE 12 3HB PHE 12 15.917 3.315 -1.991
107 HD1 PHE 12 HD1 PHE 12 17.694 6.524 -2.449
108 HD2 PHE 12 HD2 PHE 12 17.769 2.637 -0.718
109 HE1 PHE 12 HE1 PHE 12 19.676 7.152 -1.133
110 HE2 PHE 12 HE2 PHE 12 19.751 3.259 0.601
111 HZ PHE 12 HZ PHE 12 20.706 5.519 0.395
112 H GLY 13 H GLY 13 16.235 3.440 -6.392
113 HA2 GLY 13 2HA GLY 13 13.520 2.435 -5.982
114 HA3 GLY 13 3HA GLY 13 14.224 2.928 -7.515
115 H LYS 14 H LYS 14 15.830 0.762 -5.283
116 HA LYS 14 HA LYS 14 15.577 -1.375 -7.288
117 HB2 LYS 14 2HB LYS 14 17.571 -2.355 -6.064
118 HB3 LYS 14 3HB LYS 14 17.864 -0.864 -6.949
119 HG2 LYS 14 2HG LYS 14 18.531 0.180 -5.112
120 HG3 LYS 14 3HG LYS 14 17.079 -0.306 -4.234
121 HD2 LYS 14 2HD LYS 14 18.096 -2.463 -3.723
122 HD3 LYS 14 3HD LYS 14 19.538 -2.011 -4.636
123 HE2 LYS 14 2HE LYS 14 20.075 -0.289 -3.078
124 HE3 LYS 14 3HE LYS 14 18.519 -0.457 -2.266
125 HZ1 LYS 14 3HZ LYS 14 20.553 -2.613 -2.368
126 HZ2 LYS 14 1HZ LYS 14 19.150 -2.569 -1.424
127 HZ3 LYS 14 2HZ LYS 14 20.425 -1.509 -1.093
128 H GLY 15 H GLY 15 13.623 -0.662 -5.141
129 HA2 GLY 15 2HA GLY 15 13.767 -2.661 -3.115
130 HA3 GLY 15 3HA GLY 15 12.355 -1.696 -3.522
131 H GLY 16 H GLY 16 11.371 -2.353 -5.743
132 HA2 GLY 16 2HA GLY 16 10.805 -4.102 -7.252
133 HA3 GLY 16 3HA GLY 16 11.530 -5.256 -6.142
Start of MODEL 4
1 H1 VAL 1 H VAL 1 5.104 -3.748 -4.129
2 HA VAL 1 HA VAL 1 3.330 -2.001 -2.859
3 HB VAL 1 HB VAL 1 5.984 -2.968 -1.787
4 HG11 VAL 1 1HG1 VAL 1 3.526 -1.837 -0.477
5 HG12 VAL 1 2HG1 VAL 1 4.733 -2.771 0.409
6 HG13 VAL 1 3HG1 VAL 1 5.187 -1.256 -0.372
7 HG21 VAL 1 3HG2 VAL 1 3.320 -4.285 -2.058
8 HG22 VAL 1 1HG2 VAL 1 4.935 -4.950 -2.302
9 HG23 VAL 1 2HG2 VAL 1 4.335 -4.666 -0.668
10 H ALA 2 H ALA 2 6.531 -1.481 -4.157
11 HA ALA 2 HA ALA 2 6.545 1.257 -3.091
12 HB1 ALA 2 1HB ALA 2 8.966 1.170 -4.002
13 HB2 ALA 2 2HB ALA 2 8.575 0.299 -2.519
14 HB3 ALA 2 3HB ALA 2 8.710 -0.574 -4.045
15 H ARG 3 H ARG 3 4.746 0.815 -5.124
16 HA ARG 3 HA ARG 3 5.814 1.351 -7.704
17 HB2 ARG 3 2HB ARG 3 3.672 0.309 -7.580
18 HB3 ARG 3 3HB ARG 3 3.037 1.587 -6.552
19 HG2 ARG 3 2HG ARG 3 4.004 2.647 -9.055
20 HG3 ARG 3 3HG ARG 3 2.801 1.380 -9.309
21 HD2 ARG 3 2HD ARG 3 1.130 2.646 -8.510
22 HD3 ARG 3 3HD ARG 3 2.112 3.267 -7.184
23 HE ARG 3 HE ARG 3 2.626 5.103 -8.460
24 HH11 ARG 3 1HH1 ARG 3 1.188 2.655 -10.475
25 HH12 ARG 3 2HH1 ARG 3 1.034 3.694 -11.853
26 HH21 ARG 3 2HH2 ARG 3 1.741 5.870 -11.733
27 HH22 ARG 3 1HH2 ARG 3 2.429 6.481 -10.267
28 H GLY 4 H GLY 4 4.712 3.350 -5.048
29 HA2 GLY 4 2HA GLY 4 5.243 5.750 -6.683
30 HA3 GLY 4 3HA GLY 4 4.158 5.710 -5.301
31 H TRP 5 H TRP 5 7.344 4.225 -5.415
32 HA TRP 5 HA TRP 5 8.207 6.126 -3.337
33 HB2 TRP 5 2HB TRP 5 7.979 3.526 -2.928
34 HB3 TRP 5 3HB TRP 5 9.553 3.483 -3.719
35 HD1 TRP 5 HD1 TRP 5 11.423 3.422 -1.990
36 HE1 TRP 5 HE1 TRP 5 11.841 4.457 0.329
37 HE3 TRP 5 HE3 TRP 5 7.023 5.964 -1.430
38 HZ2 TRP 5 HZ2 TRP 5 10.485 6.129 2.155
39 HZ3 TRP 5 HZ3 TRP 5 6.662 7.257 0.632
40 HH2 TRP 5 HH2 TRP 5 8.358 7.336 2.386
41 H LYS 6 H LYS 6 9.042 4.577 -6.353
42 HA LYS 6 HA LYS 6 11.729 5.592 -6.426
43 HB2 LYS 6 2HB LYS 6 11.672 4.794 -8.797
44 HB3 LYS 6 3HB LYS 6 11.281 3.557 -7.610
45 HG2 LYS 6 2HG LYS 6 8.833 4.694 -8.296
46 HG3 LYS 6 3HG LYS 6 9.718 4.547 -9.816
47 HD2 LYS 6 2HD LYS 6 10.261 2.146 -8.738
48 HD3 LYS 6 3HD LYS 6 8.686 2.452 -8.003
49 HE2 LYS 6 2HE LYS 6 7.810 2.942 -10.295
50 HE3 LYS 6 3HE LYS 6 9.359 2.403 -10.940
51 HZ1 LYS 6 3HZ LYS 6 8.116 0.499 -11.057
52 HZ2 LYS 6 1HZ LYS 6 7.240 0.832 -9.648
53 HZ3 LYS 6 2HZ LYS 6 8.840 0.296 -9.541
54 H ARG 7 H ARG 7 8.591 6.677 -7.462
55 HA ARG 7 HA ARG 7 9.225 8.523 -9.419
56 HB2 ARG 7 2HB ARG 7 6.951 7.834 -8.031
57 HB3 ARG 7 3HB ARG 7 7.219 9.493 -7.517
58 HG2 ARG 7 2HG ARG 7 5.749 9.447 -9.425
59 HG3 ARG 7 3HG ARG 7 7.285 10.194 -9.871
60 HD2 ARG 7 2HD ARG 7 7.749 8.599 -11.371
61 HD3 ARG 7 3HD ARG 7 7.244 7.308 -10.282
62 HE ARG 7 HE ARG 7 5.061 8.800 -11.414
63 HH11 ARG 7 1HH1 ARG 7 7.245 6.126 -11.856
64 HH12 ARG 7 2HH1 ARG 7 6.195 5.278 -12.942
65 HH21 ARG 7 2HH2 ARG 7 4.162 6.171 -13.504
66 HH22 ARG 7 1HH2 ARG 7 3.669 7.694 -12.843
67 H LYS 8 H LYS 8 9.627 8.735 -5.950
68 HA LYS 8 HA LYS 8 10.744 11.443 -6.272
69 HB2 LYS 8 2HB LYS 8 9.551 10.118 -3.831
70 HB3 LYS 8 3HB LYS 8 10.337 11.691 -3.821
71 HG2 LYS 8 2HG LYS 8 8.545 12.726 -4.663
72 HG3 LYS 8 3HG LYS 8 8.223 11.436 -5.824
73 HD2 LYS 8 2HD LYS 8 6.371 11.399 -4.394
74 HD3 LYS 8 3HD LYS 8 7.396 10.086 -3.808
75 HE2 LYS 8 2HE LYS 8 8.118 11.334 -1.956
76 HE3 LYS 8 3HE LYS 8 7.558 12.853 -2.653
77 HZ1 LYS 8 3HZ LYS 8 6.207 11.429 -0.825
78 HZ2 LYS 8 1HZ LYS 8 5.489 10.877 -2.254
79 HZ3 LYS 8 2HZ LYS 8 5.492 12.529 -1.894
80 H CYS 9 H CYS 9 11.294 8.214 -5.061
81 HA CYS 9 HA CYS 9 14.068 8.976 -4.421
82 HB2 CYS 9 2HB CYS 9 12.537 6.672 -3.204
83 HB3 CYS 9 3HB CYS 9 14.124 7.266 -2.727
84 HG CYS 9 HG CYS 9 12.599 9.892 -2.259
85 HA PRO 10 HA PRO 10 14.092 5.990 -7.980
86 HB2 PRO 10 2HB PRO 10 15.921 7.373 -9.434
87 HB3 PRO 10 3HB PRO 10 14.186 7.698 -9.514
88 HG2 PRO 10 2HG PRO 10 16.314 9.137 -7.977
89 HG3 PRO 10 3HG PRO 10 14.967 9.805 -8.916
90 HD2 PRO 10 2HD PRO 10 14.901 9.600 -6.216
91 HD3 PRO 10 3HD PRO 10 13.445 9.451 -7.221
92 H LEU 11 H LEU 11 16.549 7.514 -6.018
93 HA LEU 11 HA LEU 11 18.675 5.764 -6.796
94 HB2 LEU 11 2HB LEU 11 18.987 8.054 -5.866
95 HB3 LEU 11 3HB LEU 11 18.442 7.445 -4.305
96 HG LEU 11 HG LEU 11 20.389 5.882 -4.317
97 HD11 LEU 11 1HD1 LEU 11 20.672 6.988 -6.982
98 HD12 LEU 11 2HD1 LEU 11 21.399 5.548 -6.271
99 HD13 LEU 11 3HD1 LEU 11 22.156 7.123 -6.038
100 HD21 LEU 11 3HD2 LEU 11 20.861 7.635 -2.952
101 HD22 LEU 11 1HD2 LEU 11 20.574 8.838 -4.209
102 HD23 LEU 11 2HD2 LEU 11 22.085 7.929 -4.188
103 H PHE 12 H PHE 12 16.212 5.766 -4.314
104 HA PHE 12 HA PHE 12 17.311 3.254 -3.242
105 HB2 PHE 12 2HB PHE 12 16.589 5.518 -1.869
106 HB3 PHE 12 3HB PHE 12 15.140 4.527 -1.728
107 HD1 PHE 12 HD1 PHE 12 15.967 1.871 -1.369
108 HD2 PHE 12 HD2 PHE 12 17.872 5.415 0.020
109 HE1 PHE 12 HE1 PHE 12 17.020 0.589 0.448
110 HE2 PHE 12 HE2 PHE 12 18.928 4.139 1.839
111 HZ PHE 12 HZ PHE 12 18.503 1.722 2.055
112 H GLY 13 H GLY 13 15.749 3.467 -5.685
113 HA2 GLY 13 2HA GLY 13 13.268 2.097 -4.861
114 HA3 GLY 13 3HA GLY 13 13.473 2.962 -6.377
115 H LYS 14 H LYS 14 16.007 0.913 -5.179
116 HA LYS 14 HA LYS 14 15.510 -0.921 -7.417
117 HB2 LYS 14 2HB LYS 14 17.834 -1.496 -7.321
118 HB3 LYS 14 3HB LYS 14 17.716 0.258 -7.274
119 HG2 LYS 14 2HG LYS 14 17.758 -0.197 -4.658
120 HG3 LYS 14 3HG LYS 14 18.617 -1.644 -5.192
121 HD2 LYS 14 2HD LYS 14 19.554 0.739 -6.554
122 HD3 LYS 14 3HD LYS 14 19.702 0.881 -4.801
123 HE2 LYS 14 2HE LYS 14 20.661 -1.581 -5.073
124 HE3 LYS 14 3HE LYS 14 21.043 -0.983 -6.686
125 HZ1 LYS 14 3HZ LYS 14 22.651 -0.673 -4.603
126 HZ2 LYS 14 1HZ LYS 14 21.757 0.757 -4.469
127 HZ3 LYS 14 2HZ LYS 14 22.601 0.418 -5.895
128 H GLY 15 H GLY 15 15.786 -0.751 -3.948
129 HA2 GLY 15 2HA GLY 15 15.524 -3.681 -3.772
130 HA3 GLY 15 3HA GLY 15 16.078 -2.635 -2.473
131 H GLY 16 H GLY 16 14.619 -1.754 -1.079
132 HA2 GLY 16 2HA GLY 16 11.987 -2.911 -1.068
133 HA3 GLY 16 3HA GLY 16 12.646 -1.805 0.128
Start of MODEL 5
1 H1 VAL 1 H VAL 1 4.883 -1.139 -2.119
2 HA VAL 1 HA VAL 1 5.194 0.341 -0.322
3 HB VAL 1 HB VAL 1 7.385 -1.541 0.568
4 HG11 VAL 1 1HG1 VAL 1 6.770 -0.050 2.734
5 HG12 VAL 1 2HG1 VAL 1 8.083 0.328 1.617
6 HG13 VAL 1 3HG1 VAL 1 6.522 1.132 1.449
7 HG21 VAL 1 3HG2 VAL 1 5.585 -2.776 1.166
8 HG22 VAL 1 1HG2 VAL 1 5.545 -1.649 2.522
9 HG23 VAL 1 2HG2 VAL 1 4.489 -1.394 1.132
10 H ALA 2 H ALA 2 7.635 -1.038 -2.358
11 HA ALA 2 HA ALA 2 9.101 1.518 -2.348
12 HB1 ALA 2 1HB ALA 2 10.898 0.030 -3.500
13 HB2 ALA 2 2HB ALA 2 10.685 -0.049 -1.750
14 HB3 ALA 2 3HB ALA 2 9.990 -1.300 -2.780
15 H ARG 3 H ARG 3 6.777 1.463 -3.789
16 HA ARG 3 HA ARG 3 7.709 1.236 -6.576
17 HB2 ARG 3 2HB ARG 3 4.885 1.033 -5.515
18 HB3 ARG 3 3HB ARG 3 5.344 0.954 -7.210
19 HG2 ARG 3 2HG ARG 3 5.755 -1.215 -7.057
20 HG3 ARG 3 3HG ARG 3 6.844 -0.963 -5.692
21 HD2 ARG 3 2HD ARG 3 5.227 -2.309 -4.753
22 HD3 ARG 3 3HD ARG 3 4.638 -0.701 -4.335
23 HE ARG 3 HE ARG 3 3.395 -1.204 -6.675
24 HH11 ARG 3 1HH1 ARG 3 3.707 -3.015 -3.718
25 HH12 ARG 3 2HH1 ARG 3 2.176 -3.807 -3.889
26 HH21 ARG 3 2HH2 ARG 3 0.852 -3.367 -5.706
27 HH22 ARG 3 1HH2 ARG 3 1.377 -2.241 -6.911
28 H GLY 4 H GLY 4 6.286 3.263 -4.147
29 HA2 GLY 4 2HA GLY 4 5.415 5.326 -5.944
30 HA3 GLY 4 3HA GLY 4 5.533 5.447 -4.195
31 H TRP 5 H TRP 5 8.424 4.479 -4.515
32 HA TRP 5 HA TRP 5 9.519 7.139 -5.121
33 HB2 TRP 5 2HB TRP 5 10.881 4.948 -3.552
34 HB3 TRP 5 3HB TRP 5 11.318 6.653 -3.628
35 HD1 TRP 5 HD1 TRP 5 10.102 4.523 -1.150
36 HE1 TRP 5 HE1 TRP 5 8.458 5.651 0.478
37 HE3 TRP 5 HE3 TRP 5 8.875 8.623 -3.947
38 HZ2 TRP 5 HZ2 TRP 5 6.853 7.971 0.565
39 HZ3 TRP 5 HZ3 TRP 5 7.277 10.249 -3.018
40 HH2 TRP 5 HH2 TRP 5 6.288 9.927 -0.810
41 H LYS 6 H LYS 6 8.908 5.097 -7.125
42 HA LYS 6 HA LYS 6 11.398 3.938 -7.963
43 HB2 LYS 6 2HB LYS 6 10.133 3.298 -9.997
44 HB3 LYS 6 3HB LYS 6 9.333 2.805 -8.511
45 HG2 LYS 6 2HG LYS 6 7.507 3.714 -9.400
46 HG3 LYS 6 3HG LYS 6 8.232 5.265 -8.972
47 HD2 LYS 6 2HD LYS 6 8.098 5.771 -11.144
48 HD3 LYS 6 3HD LYS 6 9.428 4.635 -11.381
49 HE2 LYS 6 2HE LYS 6 7.798 3.939 -12.905
50 HE3 LYS 6 3HE LYS 6 7.616 2.835 -11.542
51 HZ1 LYS 6 3HZ LYS 6 5.918 5.185 -12.176
52 HZ2 LYS 6 1HZ LYS 6 5.803 4.300 -10.739
53 HZ3 LYS 6 2HZ LYS 6 5.465 3.556 -12.220
54 H ARG 7 H ARG 7 9.709 6.912 -8.515
55 HA ARG 7 HA ARG 7 11.698 7.656 -10.558
56 HB2 ARG 7 2HB ARG 7 8.806 8.292 -10.245
57 HB3 ARG 7 3HB ARG 7 9.846 9.540 -10.918
58 HG2 ARG 7 2HG ARG 7 10.314 8.322 -12.814
59 HG3 ARG 7 3HG ARG 7 9.952 6.779 -12.037
60 HD2 ARG 7 2HD ARG 7 7.895 6.853 -12.865
61 HD3 ARG 7 3HD ARG 7 7.594 8.341 -11.968
62 HE ARG 7 HE ARG 7 8.162 8.090 -14.781
63 HH11 ARG 7 1HH1 ARG 7 8.183 10.204 -12.014
64 HH12 ARG 7 2HH1 ARG 7 8.106 11.655 -12.959
65 HH21 ARG 7 2HH2 ARG 7 8.035 11.534 -15.245
66 HH22 ARG 7 1HH2 ARG 7 8.060 9.993 -16.035
67 H LYS 8 H LYS 8 10.087 8.595 -7.592
68 HA LYS 8 HA LYS 8 11.378 11.160 -7.429
69 HB2 LYS 8 2HB LYS 8 9.710 9.539 -5.515
70 HB3 LYS 8 3HB LYS 8 10.472 11.048 -5.031
71 HG2 LYS 8 2HG LYS 8 8.500 10.729 -7.284
72 HG3 LYS 8 3HG LYS 8 8.139 11.366 -5.678
73 HD2 LYS 8 2HD LYS 8 10.183 12.968 -6.329
74 HD3 LYS 8 3HD LYS 8 9.572 12.618 -7.948
75 HE2 LYS 8 2HE LYS 8 7.904 13.653 -5.658
76 HE3 LYS 8 3HE LYS 8 8.580 14.653 -6.942
77 HZ1 LYS 8 3HZ LYS 8 6.983 14.037 -8.348
78 HZ2 LYS 8 1HZ LYS 8 6.147 13.467 -6.991
79 HZ3 LYS 8 2HZ LYS 8 7.082 12.404 -7.917
80 H CYS 9 H CYS 9 11.472 8.537 -5.031
81 HA CYS 9 HA CYS 9 14.352 9.067 -4.710
82 HB2 CYS 9 2HB CYS 9 12.322 8.105 -2.686
83 HB3 CYS 9 3HB CYS 9 14.053 8.186 -2.386
84 HG CYS 9 HG CYS 9 12.519 10.337 -1.194
85 HA PRO 10 HA PRO 10 13.918 4.744 -6.341
86 HB2 PRO 10 2HB PRO 10 15.967 4.958 -8.109
87 HB3 PRO 10 3HB PRO 10 14.312 5.443 -8.494
88 HG2 PRO 10 2HG PRO 10 16.636 7.136 -7.659
89 HG3 PRO 10 3HG PRO 10 15.429 7.437 -8.923
90 HD2 PRO 10 2HD PRO 10 15.303 8.599 -6.480
91 HD3 PRO 10 3HD PRO 10 13.852 8.182 -7.415
92 H LEU 11 H LEU 11 16.394 6.650 -4.898
93 HA LEU 11 HA LEU 11 18.539 4.906 -4.755
94 HB2 LEU 11 2HB LEU 11 19.155 6.087 -2.682
95 HB3 LEU 11 3HB LEU 11 18.722 7.176 -3.998
96 HG LEU 11 HG LEU 11 16.348 6.903 -2.647
97 HD11 LEU 11 1HD1 LEU 11 17.323 5.710 -0.810
98 HD12 LEU 11 2HD1 LEU 11 16.942 7.346 -0.277
99 HD13 LEU 11 3HD1 LEU 11 18.608 6.908 -0.654
100 HD21 LEU 11 3HD2 LEU 11 17.527 9.137 -1.534
101 HD22 LEU 11 1HD2 LEU 11 16.655 9.071 -3.065
102 HD23 LEU 11 2HD2 LEU 11 18.411 8.910 -3.043
103 H PHE 12 H PHE 12 15.542 4.910 -2.951
104 HA PHE 12 HA PHE 12 16.441 2.488 -1.535
105 HB2 PHE 12 2HB PHE 12 15.486 4.844 -0.428
106 HB3 PHE 12 3HB PHE 12 14.082 3.782 -0.408
107 HD1 PHE 12 HD1 PHE 12 16.259 4.960 1.741
108 HD2 PHE 12 HD2 PHE 12 15.243 1.168 0.097
109 HE1 PHE 12 HE1 PHE 12 17.131 3.856 3.759
110 HE2 PHE 12 HE2 PHE 12 16.113 0.057 2.113
111 HZ PHE 12 HZ PHE 12 17.057 1.401 3.947
112 H GLY 13 H GLY 13 14.026 3.941 -3.556
113 HA2 GLY 13 2HA GLY 13 12.241 1.643 -3.316
114 HA3 GLY 13 3HA GLY 13 11.929 3.112 -4.228
115 H LYS 14 H LYS 14 15.004 1.651 -4.666
116 HA LYS 14 HA LYS 14 14.790 1.383 -7.412
117 HB2 LYS 14 2HB LYS 14 16.754 -0.171 -7.213
118 HB3 LYS 14 3HB LYS 14 16.952 1.373 -6.396
119 HG2 LYS 14 2HG LYS 14 17.475 0.282 -4.546
120 HG3 LYS 14 3HG LYS 14 15.841 -0.382 -4.505
121 HD2 LYS 14 2HD LYS 14 16.881 -2.369 -4.645
122 HD3 LYS 14 3HD LYS 14 17.027 -1.981 -6.361
123 HE2 LYS 14 2HE LYS 14 19.121 -0.917 -4.559
124 HE3 LYS 14 3HE LYS 14 19.117 -2.658 -4.834
125 HZ1 LYS 14 3HZ LYS 14 19.358 -2.335 -7.151
126 HZ2 LYS 14 1HZ LYS 14 20.504 -1.333 -6.411
127 HZ3 LYS 14 2HZ LYS 14 19.078 -0.671 -7.033
128 H GLY 15 H GLY 15 13.825 -0.823 -4.881
129 HA2 GLY 15 2HA GLY 15 13.632 -3.217 -6.266
130 HA3 GLY 15 3HA GLY 15 12.567 -2.743 -4.951
131 H GLY 16 H GLY 16 11.608 -0.384 -6.494
132 HA2 GLY 16 2HA GLY 16 10.043 -1.773 -8.571
133 HA3 GLY 16 3HA GLY 16 9.235 -0.808 -7.346
Start of MODEL 6
1 H1 VAL 1 H VAL 1 0.632 1.883 -0.122
2 HA VAL 1 HA VAL 1 2.400 -0.433 -0.568
3 HB VAL 1 HB VAL 1 0.787 1.025 -2.662
4 HG11 VAL 1 1HG1 VAL 1 2.534 -0.033 -3.766
5 HG12 VAL 1 2HG1 VAL 1 2.529 -1.411 -2.663
6 HG13 VAL 1 3HG1 VAL 1 1.237 -1.225 -3.849
7 HG21 VAL 1 3HG2 VAL 1 -0.684 -0.983 -2.615
8 HG22 VAL 1 1HG2 VAL 1 0.158 -1.511 -1.158
9 HG23 VAL 1 2HG2 VAL 1 -0.765 -0.009 -1.147
10 H ALA 2 H ALA 2 4.265 -0.171 -1.815
11 HA ALA 2 HA ALA 2 5.280 2.575 -1.873
12 HB1 ALA 2 1HB ALA 2 7.463 1.665 -1.881
13 HB2 ALA 2 2HB ALA 2 6.539 0.724 -0.709
14 HB3 ALA 2 3HB ALA 2 6.871 0.060 -2.308
15 H ARG 3 H ARG 3 3.452 2.129 -3.847
16 HA ARG 3 HA ARG 3 4.397 1.126 -6.271
17 HB2 ARG 3 2HB ARG 3 2.707 2.719 -7.296
18 HB3 ARG 3 3HB ARG 3 2.083 1.587 -6.104
19 HG2 ARG 3 2HG ARG 3 1.908 3.268 -4.455
20 HG3 ARG 3 3HG ARG 3 2.862 4.403 -5.413
21 HD2 ARG 3 2HD ARG 3 1.099 4.537 -7.067
22 HD3 ARG 3 3HD ARG 3 0.162 3.318 -6.205
23 HE ARG 3 HE ARG 3 0.524 5.270 -4.356
24 HH11 ARG 3 1HH1 ARG 3 -0.708 5.225 -7.612
25 HH12 ARG 3 2HH1 ARG 3 -1.793 6.551 -7.359
26 HH21 ARG 3 2HH2 ARG 3 -1.902 7.570 -5.310
27 HH22 ARG 3 1HH2 ARG 3 -0.901 7.017 -4.010
28 H GLY 4 H GLY 4 4.941 4.204 -4.699
29 HA2 GLY 4 2HA GLY 4 6.530 5.076 -7.030
30 HA3 GLY 4 3HA GLY 4 5.792 6.167 -5.866
31 H TRP 5 H TRP 5 7.830 3.266 -5.514
32 HA TRP 5 HA TRP 5 9.310 4.434 -3.373
33 HB2 TRP 5 2HB TRP 5 8.863 1.878 -4.177
34 HB3 TRP 5 3HB TRP 5 10.498 2.127 -4.785
35 HD1 TRP 5 HD1 TRP 5 11.265 4.084 -2.203
36 HE1 TRP 5 HE1 TRP 5 11.856 2.899 0.004
37 HE3 TRP 5 HE3 TRP 5 9.101 -0.457 -3.115
38 HZ2 TRP 5 HZ2 TRP 5 11.459 0.374 1.200
39 HZ3 TRP 5 HZ3 TRP 5 9.253 -2.204 -1.388
40 HH2 TRP 5 HH2 TRP 5 10.408 -1.795 0.724
41 H LYS 6 H LYS 6 9.754 4.169 -6.823
42 HA LYS 6 HA LYS 6 12.344 5.552 -6.563
43 HB2 LYS 6 2HB LYS 6 12.976 4.594 -8.713
44 HB3 LYS 6 3HB LYS 6 12.546 3.321 -7.577
45 HG2 LYS 6 2HG LYS 6 10.230 4.126 -9.063
46 HG3 LYS 6 3HG LYS 6 11.552 3.724 -10.162
47 HD2 LYS 6 2HD LYS 6 11.848 1.603 -8.802
48 HD3 LYS 6 3HD LYS 6 10.305 1.993 -8.037
49 HE2 LYS 6 2HE LYS 6 9.690 2.264 -10.674
50 HE3 LYS 6 3HE LYS 6 10.882 0.966 -10.727
51 HZ1 LYS 6 3HZ LYS 6 8.214 0.736 -10.090
52 HZ2 LYS 6 1HZ LYS 6 9.027 0.554 -8.618
53 HZ3 LYS 6 2HZ LYS 6 9.403 -0.455 -9.923
54 H ARG 7 H ARG 7 9.145 5.693 -7.767
55 HA ARG 7 HA ARG 7 9.318 7.367 -9.953
56 HB2 ARG 7 2HB ARG 7 7.280 6.400 -8.329
57 HB3 ARG 7 3HB ARG 7 7.153 8.147 -8.172
58 HG2 ARG 7 2HG ARG 7 5.729 7.412 -9.952
59 HG3 ARG 7 3HG ARG 7 7.077 8.323 -10.636
60 HD2 ARG 7 2HD ARG 7 7.985 5.705 -10.578
61 HD3 ARG 7 3HD ARG 7 6.294 5.562 -11.057
62 HE ARG 7 HE ARG 7 8.433 6.555 -12.642
63 HH11 ARG 7 1HH1 ARG 7 5.038 6.971 -11.989
64 HH12 ARG 7 2HH1 ARG 7 4.679 7.596 -13.564
65 HH21 ARG 7 2HH2 ARG 7 6.348 7.825 -15.117
66 HH22 ARG 7 1HH2 ARG 7 7.972 7.376 -14.719
67 H LYS 8 H LYS 8 9.746 8.109 -6.570
68 HA LYS 8 HA LYS 8 10.242 10.925 -7.288
69 HB2 LYS 8 2HB LYS 8 9.414 9.861 -4.582
70 HB3 LYS 8 3HB LYS 8 9.605 11.550 -5.033
71 HG2 LYS 8 2HG LYS 8 7.461 11.604 -5.567
72 HG3 LYS 8 3HG LYS 8 7.786 10.455 -6.868
73 HD2 LYS 8 2HD LYS 8 6.345 9.124 -5.779
74 HD3 LYS 8 3HD LYS 8 7.695 8.819 -4.684
75 HE2 LYS 8 2HE LYS 8 5.831 11.130 -4.255
76 HE3 LYS 8 3HE LYS 8 5.429 9.513 -3.678
77 HZ1 LYS 8 3HZ LYS 8 6.536 10.899 -1.993
78 HZ2 LYS 8 1HZ LYS 8 7.913 10.979 -2.974
79 HZ3 LYS 8 2HZ LYS 8 7.407 9.492 -2.346
80 H CYS 9 H CYS 9 11.238 8.274 -5.148
81 HA CYS 9 HA CYS 9 13.910 9.511 -5.012
82 HB2 CYS 9 2HB CYS 9 14.134 8.243 -2.821
83 HB3 CYS 9 3HB CYS 9 13.026 9.610 -2.814
84 HG CYS 9 HG CYS 9 10.726 8.171 -2.755
85 HA PRO 10 HA PRO 10 14.245 5.412 -7.165
86 HB2 PRO 10 2HB PRO 10 15.899 6.312 -9.121
87 HB3 PRO 10 3HB PRO 10 14.137 6.408 -9.233
88 HG2 PRO 10 2HG PRO 10 16.105 8.527 -8.459
89 HG3 PRO 10 3HG PRO 10 14.685 8.651 -9.513
90 HD2 PRO 10 2HD PRO 10 14.663 9.483 -6.937
91 HD3 PRO 10 3HD PRO 10 13.225 8.818 -7.738
92 H LEU 11 H LEU 11 16.447 7.748 -5.871
93 HA LEU 11 HA LEU 11 18.900 6.494 -6.203
94 HB2 LEU 11 2HB LEU 11 18.811 8.702 -5.326
95 HB3 LEU 11 3HB LEU 11 17.831 8.185 -3.956
96 HG LEU 11 HG LEU 11 19.834 6.852 -3.184
97 HD11 LEU 11 1HD1 LEU 11 22.025 7.707 -4.057
98 HD12 LEU 11 2HD1 LEU 11 21.129 8.442 -5.386
99 HD13 LEU 11 3HD1 LEU 11 21.115 6.691 -5.176
100 HD21 LEU 11 3HD2 LEU 11 20.314 9.819 -3.368
101 HD22 LEU 11 1HD2 LEU 11 20.824 8.714 -2.092
102 HD23 LEU 11 2HD2 LEU 11 19.114 9.092 -2.298
103 H PHE 12 H PHE 12 16.269 5.735 -4.053
104 HA PHE 12 HA PHE 12 17.904 3.721 -2.684
105 HB2 PHE 12 2HB PHE 12 16.515 5.353 -1.348
106 HB3 PHE 12 3HB PHE 12 15.084 4.567 -2.008
107 HD1 PHE 12 HD1 PHE 12 18.292 3.152 -0.752
108 HD2 PHE 12 HD2 PHE 12 14.071 3.431 -0.278
109 HE1 PHE 12 HE1 PHE 12 18.387 1.478 1.048
110 HE2 PHE 12 HE2 PHE 12 14.160 1.758 1.524
111 HZ PHE 12 HZ PHE 12 16.319 0.780 2.190
112 H GLY 13 H GLY 13 15.170 4.118 -4.821
113 HA2 GLY 13 2HA GLY 13 14.125 1.500 -4.643
114 HA3 GLY 13 3HA GLY 13 13.895 2.607 -5.988
115 H LYS 14 H LYS 14 16.940 2.735 -6.196
116 HA LYS 14 HA LYS 14 17.287 1.016 -8.330
117 HB2 LYS 14 2HB LYS 14 19.717 1.363 -8.011
118 HB3 LYS 14 3HB LYS 14 18.801 2.862 -7.927
119 HG2 LYS 14 2HG LYS 14 19.966 3.253 -6.069
120 HG3 LYS 14 3HG LYS 14 18.874 2.094 -5.308
121 HD2 LYS 14 2HD LYS 14 20.451 0.462 -5.219
122 HD3 LYS 14 3HD LYS 14 21.225 0.979 -6.719
123 HE2 LYS 14 2HE LYS 14 22.548 2.522 -5.662
124 HE3 LYS 14 3HE LYS 14 21.402 2.763 -4.344
125 HZ1 LYS 14 3HZ LYS 14 22.359 1.171 -3.136
126 HZ2 LYS 14 1HZ LYS 14 23.669 1.293 -4.201
127 HZ3 LYS 14 2HZ LYS 14 22.490 0.105 -4.444
128 H GLY 15 H GLY 15 17.615 0.391 -4.912
129 HA2 GLY 15 2HA GLY 15 19.017 -2.092 -5.206
130 HA3 GLY 15 3HA GLY 15 18.242 -1.500 -3.745
131 H GLY 16 H GLY 16 15.631 -1.162 -4.941
132 HA2 GLY 16 2HA GLY 16 14.768 -3.928 -4.746
133 HA3 GLY 16 3HA GLY 16 13.731 -2.510 -4.779
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.845 -1.816 -4.558
2 HA VAL 1 HA VAL 1 1.423 -0.068 -3.105
3 HB VAL 1 HB VAL 1 2.586 -0.446 -0.896
4 HG11 VAL 1 1HG1 VAL 1 1.690 -3.059 -1.096
5 HG12 VAL 1 2HG1 VAL 1 0.720 -1.645 -0.676
6 HG13 VAL 1 3HG1 VAL 1 0.793 -2.201 -2.349
7 HG21 VAL 1 3HG2 VAL 1 4.673 -1.365 -1.928
8 HG22 VAL 1 1HG2 VAL 1 4.012 -2.343 -0.617
9 HG23 VAL 1 2HG2 VAL 1 3.775 -2.838 -2.293
10 H ALA 2 H ALA 2 4.762 -0.483 -4.002
11 HA ALA 2 HA ALA 2 5.304 2.309 -3.229
12 HB1 ALA 2 1HB ALA 2 7.521 0.422 -3.846
13 HB2 ALA 2 2HB ALA 2 7.474 1.784 -2.726
14 HB3 ALA 2 3HB ALA 2 6.681 0.267 -2.302
15 H ARG 3 H ARG 3 3.931 2.099 -5.512
16 HA ARG 3 HA ARG 3 5.622 1.816 -7.813
17 HB2 ARG 3 2HB ARG 3 2.843 2.972 -7.528
18 HB3 ARG 3 3HB ARG 3 3.653 2.665 -9.058
19 HG2 ARG 3 2HG ARG 3 3.173 0.486 -9.009
20 HG3 ARG 3 3HG ARG 3 3.564 0.342 -7.294
21 HD2 ARG 3 2HD ARG 3 1.309 1.717 -7.054
22 HD3 ARG 3 3HD ARG 3 0.978 0.968 -8.615
23 HE ARG 3 HE ARG 3 1.823 -1.078 -6.993
24 HH11 ARG 3 1HH1 ARG 3 -0.739 1.279 -6.928
25 HH12 ARG 3 2HH1 ARG 3 -1.831 0.259 -6.051
26 HH21 ARG 3 2HH2 ARG 3 -1.186 -1.850 -5.431
27 HH22 ARG 3 1HH2 ARG 3 0.394 -2.430 -5.838
28 H GLY 4 H GLY 4 4.627 4.420 -5.727
29 HA2 GLY 4 2HA GLY 4 5.976 6.344 -7.515
30 HA3 GLY 4 3HA GLY 4 4.717 6.772 -6.366
31 H TRP 5 H TRP 5 7.439 4.629 -5.729
32 HA TRP 5 HA TRP 5 8.322 6.510 -3.652
33 HB2 TRP 5 2HB TRP 5 7.673 4.158 -3.008
34 HB3 TRP 5 3HB TRP 5 9.067 3.594 -3.925
35 HD1 TRP 5 HD1 TRP 5 11.452 3.879 -2.831
36 HE1 TRP 5 HE1 TRP 5 12.233 4.531 -0.467
37 HE3 TRP 5 HE3 TRP 5 7.042 5.697 -0.991
38 HZ2 TRP 5 HZ2 TRP 5 11.127 5.665 1.869
39 HZ3 TRP 5 HZ3 TRP 5 6.988 6.546 1.318
40 HH2 TRP 5 HH2 TRP 5 8.989 6.529 2.717
41 H LYS 6 H LYS 6 9.301 4.897 -6.562
42 HA LYS 6 HA LYS 6 12.107 5.500 -6.235
43 HB2 LYS 6 2HB LYS 6 11.675 3.527 -7.459
44 HB3 LYS 6 3HB LYS 6 10.463 4.315 -8.462
45 HG2 LYS 6 2HG LYS 6 13.141 5.486 -8.654
46 HG3 LYS 6 3HG LYS 6 13.023 3.816 -9.213
47 HD2 LYS 6 2HD LYS 6 10.781 5.321 -10.177
48 HD3 LYS 6 3HD LYS 6 12.280 6.156 -10.589
49 HE2 LYS 6 2HE LYS 6 11.660 4.619 -12.359
50 HE3 LYS 6 3HE LYS 6 13.146 4.081 -11.578
51 HZ1 LYS 6 3HZ LYS 6 10.917 2.571 -12.001
52 HZ2 LYS 6 1HZ LYS 6 10.811 2.968 -10.360
53 HZ3 LYS 6 2HZ LYS 6 12.190 2.189 -10.954
54 H ARG 7 H ARG 7 9.320 6.908 -7.800
55 HA ARG 7 HA ARG 7 10.539 8.637 -9.600
56 HB2 ARG 7 2HB ARG 7 7.967 8.674 -8.086
57 HB3 ARG 7 3HB ARG 7 8.461 10.137 -8.927
58 HG2 ARG 7 2HG ARG 7 8.034 9.272 -10.954
59 HG3 ARG 7 3HG ARG 7 8.632 7.672 -10.513
60 HD2 ARG 7 2HD ARG 7 6.435 7.706 -9.012
61 HD3 ARG 7 3HD ARG 7 5.910 8.825 -10.269
62 HE ARG 7 HE ARG 7 7.033 6.465 -11.386
63 HH11 ARG 7 1HH1 ARG 7 4.166 7.728 -9.868
64 HH12 ARG 7 2HH1 ARG 7 3.104 6.589 -10.628
65 HH21 ARG 7 2HH2 ARG 7 3.947 5.015 -12.063
66 HH22 ARG 7 1HH2 ARG 7 5.645 4.961 -12.393
67 H LYS 8 H LYS 8 10.279 8.822 -6.133
68 HA LYS 8 HA LYS 8 11.515 11.492 -6.170
69 HB2 LYS 8 2HB LYS 8 9.989 10.047 -4.000
70 HB3 LYS 8 3HB LYS 8 10.828 11.573 -3.752
71 HG2 LYS 8 2HG LYS 8 9.012 12.643 -4.416
72 HG3 LYS 8 3HG LYS 8 9.192 11.916 -6.015
73 HD2 LYS 8 2HD LYS 8 6.987 11.433 -5.185
74 HD3 LYS 8 3HD LYS 8 7.928 9.939 -5.201
75 HE2 LYS 8 2HE LYS 8 7.701 9.681 -3.000
76 HE3 LYS 8 3HE LYS 8 8.209 11.340 -2.687
77 HZ1 LYS 8 3HZ LYS 8 5.622 11.392 -3.757
78 HZ2 LYS 8 1HZ LYS 8 6.125 11.849 -2.207
79 HZ3 LYS 8 2HZ LYS 8 5.639 10.257 -2.503
80 H CYS 9 H CYS 9 11.870 8.198 -5.044
81 HA CYS 9 HA CYS 9 14.561 8.879 -4.055
82 HB2 CYS 9 2HB CYS 9 12.813 6.591 -3.130
83 HB3 CYS 9 3HB CYS 9 14.387 7.033 -2.482
84 HG CYS 9 HG CYS 9 12.652 7.850 -0.557
85 HA PRO 10 HA PRO 10 14.968 6.054 -7.722
86 HB2 PRO 10 2HB PRO 10 16.968 7.470 -8.889
87 HB3 PRO 10 3HB PRO 10 15.257 7.827 -9.155
88 HG2 PRO 10 2HG PRO 10 17.207 9.162 -7.318
89 HG3 PRO 10 3HG PRO 10 15.985 9.893 -8.375
90 HD2 PRO 10 2HD PRO 10 15.603 9.570 -5.714
91 HD3 PRO 10 3HD PRO 10 14.273 9.488 -6.886
92 H LEU 11 H LEU 11 17.070 7.330 -5.290
93 HA LEU 11 HA LEU 11 19.364 5.756 -5.923
94 HB2 LEU 11 2HB LEU 11 18.591 7.019 -3.298
95 HB3 LEU 11 3HB LEU 11 20.193 6.435 -3.743
96 HG LEU 11 HG LEU 11 18.859 8.636 -5.286
97 HD11 LEU 11 1HD1 LEU 11 20.308 10.151 -3.820
98 HD12 LEU 11 2HD1 LEU 11 20.322 8.811 -2.674
99 HD13 LEU 11 3HD1 LEU 11 18.793 9.555 -3.140
100 HD21 LEU 11 3HD2 LEU 11 20.820 7.547 -6.265
101 HD22 LEU 11 1HD2 LEU 11 21.746 7.904 -4.808
102 HD23 LEU 11 2HD2 LEU 11 21.162 9.221 -5.825
103 H PHE 12 H PHE 12 16.491 5.279 -3.996
104 HA PHE 12 HA PHE 12 17.461 2.584 -3.302
105 HB2 PHE 12 2HB PHE 12 15.455 4.228 -1.746
106 HB3 PHE 12 3HB PHE 12 16.119 2.664 -1.285
107 HD1 PHE 12 HD1 PHE 12 18.665 2.541 -0.933
108 HD2 PHE 12 HD2 PHE 12 16.460 6.181 -1.017
109 HE1 PHE 12 HE1 PHE 12 20.488 3.670 0.275
110 HE2 PHE 12 HE2 PHE 12 18.279 7.315 0.189
111 HZ PHE 12 HZ PHE 12 20.297 6.060 0.836
112 H GLY 13 H GLY 13 16.085 3.380 -5.728
113 HA2 GLY 13 2HA GLY 13 13.340 2.529 -5.474
114 HA3 GLY 13 3HA GLY 13 14.181 2.917 -6.968
115 H LYS 14 H LYS 14 16.378 1.016 -6.180
116 HA LYS 14 HA LYS 14 15.533 -1.207 -7.636
117 HB2 LYS 14 2HB LYS 14 17.564 -2.331 -6.661
118 HB3 LYS 14 3HB LYS 14 17.870 -0.782 -7.437
119 HG2 LYS 14 2HG LYS 14 18.780 0.007 -5.583
120 HG3 LYS 14 3HG LYS 14 17.312 -0.349 -4.670
121 HD2 LYS 14 2HD LYS 14 18.764 -1.684 -3.532
122 HD3 LYS 14 3HD LYS 14 18.297 -2.816 -4.803
123 HE2 LYS 14 2HE LYS 14 20.399 -1.327 -5.880
124 HE3 LYS 14 3HE LYS 14 20.879 -1.665 -4.217
125 HZ1 LYS 14 3HZ LYS 14 20.190 -4.050 -4.759
126 HZ2 LYS 14 1HZ LYS 14 21.647 -3.485 -5.407
127 HZ3 LYS 14 2HZ LYS 14 20.267 -3.576 -6.381
128 H GLY 15 H GLY 15 15.178 -0.442 -4.272
129 HA2 GLY 15 2HA GLY 15 14.760 -3.055 -3.273
130 HA3 GLY 15 3HA GLY 15 14.203 -1.566 -2.523
131 H GLY 16 H GLY 16 12.769 -0.988 -5.174
132 HA2 GLY 16 2HA GLY 16 10.870 -2.822 -5.856
133 HA3 GLY 16 3HA GLY 16 10.262 -2.137 -4.356
Start of MODEL 8
1 H1 VAL 1 H VAL 1 0.333 -0.178 -2.710
2 HA VAL 1 HA VAL 1 0.509 2.215 -2.154
3 HB VAL 1 HB VAL 1 1.631 2.010 0.105
4 HG11 VAL 1 1HG1 VAL 1 -0.645 1.727 0.228
5 HG12 VAL 1 2HG1 VAL 1 -0.637 0.319 -0.836
6 HG13 VAL 1 3HG1 VAL 1 -0.084 0.168 0.833
7 HG21 VAL 1 3HG2 VAL 1 1.667 -0.879 0.070
8 HG22 VAL 1 1HG2 VAL 1 2.825 -0.207 -1.077
9 HG23 VAL 1 2HG2 VAL 1 2.900 0.254 0.623
10 H ALA 2 H ALA 2 3.455 0.518 -2.876
11 HA ALA 2 HA ALA 2 5.074 2.917 -2.491
12 HB1 ALA 2 1HB ALA 2 6.180 0.365 -3.570
13 HB2 ALA 2 2HB ALA 2 6.937 1.569 -2.526
14 HB3 ALA 2 3HB ALA 2 5.730 0.465 -1.867
15 H ARG 3 H ARG 3 3.131 3.123 -4.502
16 HA ARG 3 HA ARG 3 3.993 2.492 -7.083
17 HB2 ARG 3 2HB ARG 3 2.282 4.776 -6.094
18 HB3 ARG 3 3HB ARG 3 2.510 4.392 -7.795
19 HG2 ARG 3 2HG ARG 3 0.859 2.927 -7.689
20 HG3 ARG 3 3HG ARG 3 1.739 2.012 -6.462
21 HD2 ARG 3 2HD ARG 3 0.556 2.914 -4.745
22 HD3 ARG 3 3HD ARG 3 0.344 4.462 -5.563
23 HE ARG 3 HE ARG 3 -1.635 3.697 -6.420
24 HH11 ARG 3 1HH1 ARG 3 0.208 0.997 -5.222
25 HH12 ARG 3 2HH1 ARG 3 -1.079 -0.143 -5.432
26 HH21 ARG 3 2HH2 ARG 3 -3.096 0.546 -6.275
27 HH22 ARG 3 1HH2 ARG 3 -3.338 2.206 -6.701
28 H GLY 4 H GLY 4 4.868 5.121 -4.944
29 HA2 GLY 4 2HA GLY 4 6.614 6.211 -7.062
30 HA3 GLY 4 3HA GLY 4 5.967 7.156 -5.729
31 H TRP 5 H TRP 5 7.704 4.050 -5.963
32 HA TRP 5 HA TRP 5 9.216 4.613 -3.598
33 HB2 TRP 5 2HB TRP 5 8.512 2.312 -4.443
34 HB3 TRP 5 3HB TRP 5 9.815 2.455 -5.620
35 HD1 TRP 5 HD1 TRP 5 10.528 3.864 -2.188
36 HE1 TRP 5 HE1 TRP 5 12.200 2.332 -0.969
37 HE3 TRP 5 HE3 TRP 5 10.517 -0.091 -5.428
38 HZ2 TRP 5 HZ2 TRP 5 13.361 -0.215 -1.334
39 HZ3 TRP 5 HZ3 TRP 5 11.937 -2.036 -4.920
40 HH2 TRP 5 HH2 TRP 5 13.329 -2.094 -2.915
41 H LYS 6 H LYS 6 9.791 4.813 -7.054
42 HA LYS 6 HA LYS 6 12.436 5.985 -6.487
43 HB2 LYS 6 2HB LYS 6 13.053 5.242 -8.810
44 HB3 LYS 6 3HB LYS 6 12.803 3.939 -7.656
45 HG2 LYS 6 2HG LYS 6 10.425 4.715 -9.196
46 HG3 LYS 6 3HG LYS 6 11.741 4.009 -10.137
47 HD2 LYS 6 2HD LYS 6 11.731 2.252 -8.159
48 HD3 LYS 6 3HD LYS 6 10.059 2.796 -8.002
49 HE2 LYS 6 2HE LYS 6 10.159 2.432 -10.655
50 HE3 LYS 6 3HE LYS 6 11.367 1.248 -10.158
51 HZ1 LYS 6 3HZ LYS 6 9.742 -0.119 -9.585
52 HZ2 LYS 6 1HZ LYS 6 8.584 1.014 -10.073
53 HZ3 LYS 6 2HZ LYS 6 9.140 1.008 -8.476
54 H ARG 7 H ARG 7 9.339 6.567 -7.604
55 HA ARG 7 HA ARG 7 9.679 8.313 -9.743
56 HB2 ARG 7 2HB ARG 7 7.613 8.298 -7.541
57 HB3 ARG 7 3HB ARG 7 7.518 9.342 -8.953
58 HG2 ARG 7 2HG ARG 7 7.529 6.331 -8.972
59 HG3 ARG 7 3HG ARG 7 6.129 7.374 -9.229
60 HD2 ARG 7 2HD ARG 7 7.660 8.390 -11.117
61 HD3 ARG 7 3HD ARG 7 8.443 6.813 -11.019
62 HE ARG 7 HE ARG 7 5.626 6.540 -11.221
63 HH11 ARG 7 1HH1 ARG 7 8.474 7.271 -13.086
64 HH12 ARG 7 2HH1 ARG 7 7.799 6.709 -14.579
65 HH21 ARG 7 2HH2 ARG 7 5.667 5.871 -14.632
66 HH22 ARG 7 1HH2 ARG 7 4.727 5.796 -13.181
67 H LYS 8 H LYS 8 10.005 8.858 -6.287
68 HA LYS 8 HA LYS 8 10.951 11.588 -6.869
69 HB2 LYS 8 2HB LYS 8 9.707 10.647 -4.282
70 HB3 LYS 8 3HB LYS 8 10.151 12.296 -4.705
71 HG2 LYS 8 2HG LYS 8 8.039 12.563 -5.334
72 HG3 LYS 8 3HG LYS 8 8.429 11.553 -6.729
73 HD2 LYS 8 2HD LYS 8 6.627 10.410 -5.895
74 HD3 LYS 8 3HD LYS 8 7.933 9.603 -5.023
75 HE2 LYS 8 2HE LYS 8 7.358 10.532 -3.029
76 HE3 LYS 8 3HE LYS 8 6.766 12.019 -3.769
77 HZ1 LYS 8 3HZ LYS 8 5.050 10.511 -2.733
78 HZ2 LYS 8 1HZ LYS 8 5.320 9.449 -4.022
79 HZ3 LYS 8 2HZ LYS 8 4.739 11.009 -4.319
80 H CYS 9 H CYS 9 11.388 8.685 -4.918
81 HA CYS 9 HA CYS 9 14.113 9.610 -4.284
82 HB2 CYS 9 2HB CYS 9 13.927 8.058 -2.280
83 HB3 CYS 9 3HB CYS 9 12.949 9.520 -2.218
84 HG CYS 9 HG CYS 9 11.979 6.300 -2.387
85 HA PRO 10 HA PRO 10 14.382 5.806 -6.930
86 HB2 PRO 10 2HB PRO 10 16.358 6.770 -8.522
87 HB3 PRO 10 3HB PRO 10 14.643 7.063 -8.836
88 HG2 PRO 10 2HG PRO 10 16.663 8.850 -7.537
89 HG3 PRO 10 3HG PRO 10 15.416 9.254 -8.730
90 HD2 PRO 10 2HD PRO 10 15.115 9.748 -6.085
91 HD3 PRO 10 3HD PRO 10 13.748 9.345 -7.143
92 H LEU 11 H LEU 11 16.503 7.659 -4.963
93 HA LEU 11 HA LEU 11 18.906 6.282 -5.182
94 HB2 LEU 11 2HB LEU 11 18.112 8.367 -3.740
95 HB3 LEU 11 3HB LEU 11 18.008 7.135 -2.484
96 HG LEU 11 HG LEU 11 20.456 6.594 -3.182
97 HD11 LEU 11 1HD1 LEU 11 20.824 7.866 -5.081
98 HD12 LEU 11 2HD1 LEU 11 21.563 8.842 -3.812
99 HD13 LEU 11 3HD1 LEU 11 19.969 9.267 -4.434
100 HD21 LEU 11 3HD2 LEU 11 19.972 9.191 -1.745
101 HD22 LEU 11 1HD2 LEU 11 21.252 8.009 -1.471
102 HD23 LEU 11 2HD2 LEU 11 19.587 7.622 -1.036
103 H PHE 12 H PHE 12 15.917 5.331 -3.720
104 HA PHE 12 HA PHE 12 17.210 2.883 -2.708
105 HB2 PHE 12 2HB PHE 12 14.644 4.114 -1.687
106 HB3 PHE 12 3HB PHE 12 15.499 2.734 -1.006
107 HD1 PHE 12 HD1 PHE 12 14.683 5.758 -0.070
108 HD2 PHE 12 HD2 PHE 12 18.266 3.647 -0.978
109 HE1 PHE 12 HE1 PHE 12 15.945 7.275 1.400
110 HE2 PHE 12 HE2 PHE 12 19.533 5.159 0.492
111 HZ PHE 12 HZ PHE 12 18.373 6.976 1.683
112 H GLY 13 H GLY 13 16.079 3.527 -5.395
113 HA2 GLY 13 2HA GLY 13 13.889 1.550 -5.464
114 HA3 GLY 13 3HA GLY 13 14.125 2.820 -6.655
115 H LYS 14 H LYS 14 16.937 1.185 -5.554
116 HA LYS 14 HA LYS 14 17.273 0.000 -8.194
117 HB2 LYS 14 2HB LYS 14 19.597 -0.463 -7.386
118 HB3 LYS 14 3HB LYS 14 19.159 1.240 -7.392
119 HG2 LYS 14 2HG LYS 14 18.879 1.258 -5.029
120 HG3 LYS 14 3HG LYS 14 19.024 -0.499 -4.942
121 HD2 LYS 14 2HD LYS 14 21.266 1.059 -6.134
122 HD3 LYS 14 3HD LYS 14 21.064 1.078 -4.380
123 HE2 LYS 14 2HE LYS 14 20.802 -1.567 -4.898
124 HE3 LYS 14 3HE LYS 14 21.927 -1.093 -6.170
125 HZ1 LYS 14 3HZ LYS 14 23.023 -1.801 -4.091
126 HZ2 LYS 14 1HZ LYS 14 22.315 -0.490 -3.289
127 HZ3 LYS 14 2HZ LYS 14 23.421 -0.219 -4.539
128 H GLY 15 H GLY 15 16.817 -0.944 -4.855
129 HA2 GLY 15 2HA GLY 15 17.573 -3.632 -5.003
130 HA3 GLY 15 3HA GLY 15 16.376 -2.980 -3.893
131 H GLY 16 H GLY 16 14.726 -2.029 -6.205
132 HA2 GLY 16 2HA GLY 16 13.109 -4.372 -6.437
133 HA3 GLY 16 3HA GLY 16 12.822 -2.828 -7.226
Start of MODEL 9
1 H1 VAL 1 H VAL 1 3.057 1.051 -3.219
2 HA VAL 1 HA VAL 1 3.177 3.389 -2.715
3 HB VAL 1 HB VAL 1 3.597 4.106 -0.374
4 HG11 VAL 1 1HG1 VAL 1 1.357 4.238 -1.174
5 HG12 VAL 1 2HG1 VAL 1 1.105 2.508 -0.931
6 HG13 VAL 1 3HG1 VAL 1 1.292 3.577 0.460
7 HG21 VAL 1 3HG2 VAL 1 3.139 1.186 0.225
8 HG22 VAL 1 1HG2 VAL 1 4.610 2.114 0.519
9 HG23 VAL 1 2HG2 VAL 1 3.145 2.468 1.436
10 H ALA 2 H ALA 2 5.147 0.802 -1.419
11 HA ALA 2 HA ALA 2 7.562 2.397 -1.421
12 HB1 ALA 2 1HB ALA 2 7.016 -0.503 -0.838
13 HB2 ALA 2 2HB ALA 2 8.641 0.184 -0.853
14 HB3 ALA 2 3HB ALA 2 7.443 0.777 0.298
15 H ARG 3 H ARG 3 5.901 0.215 -3.547
16 HA ARG 3 HA ARG 3 8.090 -0.499 -5.195
17 HB2 ARG 3 2HB ARG 3 6.117 -1.836 -5.302
18 HB3 ARG 3 3HB ARG 3 5.114 -0.441 -5.676
19 HG2 ARG 3 2HG ARG 3 7.242 -0.844 -7.614
20 HG3 ARG 3 3HG ARG 3 6.152 -2.226 -7.487
21 HD2 ARG 3 2HD ARG 3 4.693 0.267 -7.497
22 HD3 ARG 3 3HD ARG 3 5.729 0.129 -8.916
23 HE ARG 3 HE ARG 3 4.306 -2.278 -8.510
24 HH11 ARG 3 1HH1 ARG 3 3.867 1.006 -9.578
25 HH12 ARG 3 2HH1 ARG 3 2.532 0.628 -10.616
26 HH21 ARG 3 2HH2 ARG 3 1.783 -1.531 -10.782
27 HH22 ARG 3 1HH2 ARG 3 2.550 -2.789 -9.873
28 H GLY 4 H GLY 4 6.005 2.289 -5.053
29 HA2 GLY 4 2HA GLY 4 7.033 3.286 -7.610
30 HA3 GLY 4 3HA GLY 4 5.711 3.983 -6.685
31 H TRP 5 H TRP 5 8.824 3.091 -5.328
32 HA TRP 5 HA TRP 5 9.164 5.671 -4.171
33 HB2 TRP 5 2HB TRP 5 10.574 3.087 -4.123
34 HB3 TRP 5 3HB TRP 5 11.618 4.493 -3.928
35 HD1 TRP 5 HD1 TRP 5 10.168 2.135 -1.785
36 HE1 TRP 5 HE1 TRP 5 9.503 3.097 0.508
37 HE3 TRP 5 HE3 TRP 5 10.206 7.113 -2.951
38 HZ2 TRP 5 HZ2 TRP 5 9.053 5.630 1.669
39 HZ3 TRP 5 HZ3 TRP 5 9.646 8.740 -1.192
40 HH2 TRP 5 HH2 TRP 5 9.081 8.012 1.069
41 H LYS 6 H LYS 6 10.150 4.206 -7.139
42 HA LYS 6 HA LYS 6 12.395 5.774 -7.755
43 HB2 LYS 6 2HB LYS 6 12.100 5.058 -10.019
44 HB3 LYS 6 3HB LYS 6 11.653 3.714 -8.976
45 HG2 LYS 6 2HG LYS 6 9.268 5.033 -9.349
46 HG3 LYS 6 3HG LYS 6 10.065 5.179 -10.917
47 HD2 LYS 6 2HD LYS 6 10.561 2.612 -10.491
48 HD3 LYS 6 3HD LYS 6 9.125 2.754 -9.474
49 HE2 LYS 6 2HE LYS 6 7.806 2.714 -11.261
50 HE3 LYS 6 3HE LYS 6 8.670 4.075 -11.974
51 HZ1 LYS 6 3HZ LYS 6 8.596 1.657 -13.064
52 HZ2 LYS 6 1HZ LYS 6 10.000 1.497 -12.133
53 HZ3 LYS 6 2HZ LYS 6 9.885 2.729 -13.285
54 H ARG 7 H ARG 7 9.083 6.582 -7.575
55 HA ARG 7 HA ARG 7 8.753 8.559 -9.470
56 HB2 ARG 7 2HB ARG 7 7.661 8.199 -6.699
57 HB3 ARG 7 3HB ARG 7 7.271 9.646 -7.619
58 HG2 ARG 7 2HG ARG 7 6.151 8.414 -9.281
59 HG3 ARG 7 3HG ARG 7 6.820 6.886 -8.707
60 HD2 ARG 7 2HD ARG 7 5.488 6.955 -6.734
61 HD3 ARG 7 3HD ARG 7 4.989 8.615 -7.059
62 HE ARG 7 HE ARG 7 3.885 6.213 -8.199
63 HH11 ARG 7 1HH1 ARG 7 4.304 9.648 -8.576
64 HH12 ARG 7 2HH1 ARG 7 2.925 9.835 -9.609
65 HH21 ARG 7 2HH2 ARG 7 1.654 8.012 -10.166
66 HH22 ARG 7 1HH2 ARG 7 2.068 6.445 -9.558
67 H LYS 8 H LYS 8 9.346 9.407 -6.070
68 HA LYS 8 HA LYS 8 10.851 11.749 -6.991
69 HB2 LYS 8 2HB LYS 8 9.822 11.187 -4.208
70 HB3 LYS 8 3HB LYS 8 10.420 12.719 -4.832
71 HG2 LYS 8 2HG LYS 8 8.324 13.255 -5.298
72 HG3 LYS 8 3HG LYS 8 8.342 12.006 -6.545
73 HD2 LYS 8 2HD LYS 8 6.453 11.617 -5.125
74 HD3 LYS 8 3HD LYS 8 7.649 10.359 -4.804
75 HE2 LYS 8 2HE LYS 8 8.434 11.699 -2.856
76 HE3 LYS 8 3HE LYS 8 7.103 12.818 -3.145
77 HZ1 LYS 8 3HZ LYS 8 6.487 9.967 -2.858
78 HZ2 LYS 8 1HZ LYS 8 5.562 11.318 -2.431
79 HZ3 LYS 8 2HZ LYS 8 6.867 10.847 -1.464
80 H CYS 9 H CYS 9 11.205 8.741 -5.350
81 HA CYS 9 HA CYS 9 13.959 9.460 -4.592
82 HB2 CYS 9 2HB CYS 9 12.131 7.345 -3.439
83 HB3 CYS 9 3HB CYS 9 13.820 7.553 -2.989
84 HG CYS 9 HG CYS 9 11.618 10.128 -2.632
85 HA PRO 10 HA PRO 10 14.242 6.450 -8.112
86 HB2 PRO 10 2HB PRO 10 16.230 7.780 -9.394
87 HB3 PRO 10 3HB PRO 10 14.518 8.149 -9.633
88 HG2 PRO 10 2HG PRO 10 16.533 9.540 -7.910
89 HG3 PRO 10 3HG PRO 10 15.294 10.238 -8.969
90 HD2 PRO 10 2HD PRO 10 14.977 10.045 -6.287
91 HD3 PRO 10 3HD PRO 10 13.616 9.928 -7.420
92 H LEU 11 H LEU 11 16.285 7.661 -5.662
93 HA LEU 11 HA LEU 11 18.626 6.148 -6.307
94 HB2 LEU 11 2HB LEU 11 18.398 8.255 -4.834
95 HB3 LEU 11 3HB LEU 11 17.936 7.129 -3.560
96 HG LEU 11 HG LEU 11 20.315 6.107 -4.609
97 HD11 LEU 11 1HD1 LEU 11 20.286 8.682 -5.448
98 HD12 LEU 11 2HD1 LEU 11 21.748 7.769 -5.077
99 HD13 LEU 11 3HD1 LEU 11 21.054 8.850 -3.869
100 HD21 LEU 11 3HD2 LEU 11 20.158 7.847 -2.172
101 HD22 LEU 11 1HD2 LEU 11 21.114 6.389 -2.437
102 HD23 LEU 11 2HD2 LEU 11 19.367 6.271 -2.228
103 H PHE 12 H PHE 12 15.667 5.516 -4.633
104 HA PHE 12 HA PHE 12 16.725 3.066 -3.441
105 HB2 PHE 12 2HB PHE 12 14.250 4.696 -3.058
106 HB3 PHE 12 3HB PHE 12 14.207 2.986 -2.639
107 HD1 PHE 12 HD1 PHE 12 14.976 6.229 -1.500
108 HD2 PHE 12 HD2 PHE 12 16.125 2.151 -1.092
109 HE1 PHE 12 HE1 PHE 12 16.012 6.742 0.672
110 HE2 PHE 12 HE2 PHE 12 17.161 2.657 1.081
111 HZ PHE 12 HZ PHE 12 17.105 4.954 1.966
112 H GLY 13 H GLY 13 16.336 3.452 -6.365
113 HA2 GLY 13 2HA GLY 13 14.150 1.602 -6.959
114 HA3 GLY 13 3HA GLY 13 15.087 2.514 -8.134
115 H LYS 14 H LYS 14 16.606 0.688 -5.577
116 HA LYS 14 HA LYS 14 18.176 -0.791 -7.439
117 HB2 LYS 14 2HB LYS 14 19.028 -1.958 -5.404
118 HB3 LYS 14 3HB LYS 14 19.137 -0.205 -5.314
119 HG2 LYS 14 2HG LYS 14 18.078 -0.289 -3.375
120 HG3 LYS 14 3HG LYS 14 16.645 -0.878 -4.221
121 HD2 LYS 14 2HD LYS 14 17.022 -3.050 -3.630
122 HD3 LYS 14 3HD LYS 14 18.775 -2.846 -3.583
123 HE2 LYS 14 2HE LYS 14 17.367 -1.269 -1.572
124 HE3 LYS 14 3HE LYS 14 17.112 -3.005 -1.401
125 HZ1 LYS 14 3HZ LYS 14 19.154 -1.822 -0.300
126 HZ2 LYS 14 1HZ LYS 14 19.844 -2.042 -1.829
127 HZ3 LYS 14 2HZ LYS 14 19.298 -3.378 -0.948
128 H GLY 15 H GLY 15 15.250 -1.428 -5.637
129 HA2 GLY 15 2HA GLY 15 15.232 -4.247 -5.920
130 HA3 GLY 15 3HA GLY 15 13.834 -3.237 -5.588
131 H GLY 16 H GLY 16 14.253 -1.644 -8.042
132 HA2 GLY 16 2HA GLY 16 12.599 -3.134 -9.774
133 HA3 GLY 16 3HA GLY 16 13.433 -1.643 -10.186
Start of MODEL 10
1 H1 VAL 1 H VAL 1 3.055 -2.049 -3.655
2 HA VAL 1 HA VAL 1 2.660 0.076 -2.475
3 HB VAL 1 HB VAL 1 4.918 -1.503 -1.234
4 HG11 VAL 1 1HG1 VAL 1 3.862 -0.647 0.900
5 HG12 VAL 1 2HG1 VAL 1 4.737 0.544 -0.065
6 HG13 VAL 1 3HG1 VAL 1 2.974 0.496 -0.107
7 HG21 VAL 1 3HG2 VAL 1 3.301 -3.110 -1.472
8 HG22 VAL 1 1HG2 VAL 1 2.815 -2.405 0.070
9 HG23 VAL 1 2HG2 VAL 1 1.978 -1.945 -1.413
10 H ALA 2 H ALA 2 5.830 -0.452 -3.805
11 HA ALA 2 HA ALA 2 6.544 2.334 -3.156
12 HB1 ALA 2 1HB ALA 2 8.799 1.756 -3.006
13 HB2 ALA 2 2HB ALA 2 7.966 0.426 -2.199
14 HB3 ALA 2 3HB ALA 2 8.558 0.224 -3.848
15 H ARG 3 H ARG 3 4.942 1.489 -5.408
16 HA ARG 3 HA ARG 3 6.471 1.330 -7.776
17 HB2 ARG 3 2HB ARG 3 4.347 1.990 -8.910
18 HB3 ARG 3 3HB ARG 3 4.173 0.634 -7.804
19 HG2 ARG 3 2HG ARG 3 3.628 2.823 -6.220
20 HG3 ARG 3 3HG ARG 3 2.899 3.239 -7.772
21 HD2 ARG 3 2HD ARG 3 1.723 1.077 -7.772
22 HD3 ARG 3 3HD ARG 3 2.423 0.712 -6.195
23 HE ARG 3 HE ARG 3 0.199 2.438 -6.743
24 HH11 ARG 3 1HH1 ARG 3 2.801 1.763 -4.532
25 HH12 ARG 3 2HH1 ARG 3 2.014 2.500 -3.176
26 HH21 ARG 3 2HH2 ARG 3 -0.062 3.437 -3.424
27 HH22 ARG 3 1HH2 ARG 3 -0.848 3.412 -4.966
28 H GLY 4 H GLY 4 5.328 4.019 -5.849
29 HA2 GLY 4 2HA GLY 4 6.344 5.911 -7.860
30 HA3 GLY 4 3HA GLY 4 5.263 6.314 -6.534
31 H TRP 5 H TRP 5 7.987 4.273 -5.917
32 HA TRP 5 HA TRP 5 9.166 6.408 -4.298
33 HB2 TRP 5 2HB TRP 5 9.008 3.488 -4.097
34 HB3 TRP 5 3HB TRP 5 10.610 4.131 -3.744
35 HD1 TRP 5 HD1 TRP 5 10.953 4.716 -1.285
36 HE1 TRP 5 HE1 TRP 5 9.440 5.369 0.692
37 HE3 TRP 5 HE3 TRP 5 6.453 4.830 -3.709
38 HZ2 TRP 5 HZ2 TRP 5 6.702 5.866 1.163
39 HZ3 TRP 5 HZ3 TRP 5 4.435 5.403 -2.422
40 HH2 TRP 5 HH2 TRP 5 4.559 5.909 -0.037
41 H LYS 6 H LYS 6 9.764 4.451 -7.094
42 HA LYS 6 HA LYS 6 12.586 5.065 -7.210
43 HB2 LYS 6 2HB LYS 6 12.482 3.907 -9.410
44 HB3 LYS 6 3HB LYS 6 11.871 2.933 -8.079
45 HG2 LYS 6 2HG LYS 6 10.063 2.570 -9.305
46 HG3 LYS 6 3HG LYS 6 9.634 4.263 -9.047
47 HD2 LYS 6 2HD LYS 6 9.629 4.268 -11.317
48 HD3 LYS 6 3HD LYS 6 11.351 4.571 -11.070
49 HE2 LYS 6 2HE LYS 6 11.855 2.238 -11.381
50 HE3 LYS 6 3HE LYS 6 10.140 1.836 -11.452
51 HZ1 LYS 6 3HZ LYS 6 10.437 3.713 -13.392
52 HZ2 LYS 6 1HZ LYS 6 10.373 2.041 -13.642
53 HZ3 LYS 6 2HZ LYS 6 11.869 2.821 -13.516
54 H ARG 7 H ARG 7 9.644 6.475 -8.284
55 HA ARG 7 HA ARG 7 10.812 8.010 -10.423
56 HB2 ARG 7 2HB ARG 7 8.124 8.147 -9.052
57 HB3 ARG 7 3HB ARG 7 8.589 9.189 -10.390
58 HG2 ARG 7 2HG ARG 7 8.362 7.552 -11.926
59 HG3 ARG 7 3HG ARG 7 8.915 6.290 -10.823
60 HD2 ARG 7 2HD ARG 7 6.744 5.687 -10.845
61 HD3 ARG 7 3HD ARG 7 6.590 6.970 -9.645
62 HE ARG 7 HE ARG 7 6.272 7.868 -12.359
63 HH11 ARG 7 1HH1 ARG 7 4.672 6.523 -9.575
64 HH12 ARG 7 2HH1 ARG 7 3.106 7.104 -10.032
65 HH21 ARG 7 2HH2 ARG 7 2.846 8.308 -11.964
66 HH22 ARG 7 1HH2 ARG 7 4.215 8.640 -12.971
67 H LYS 8 H LYS 8 10.405 8.348 -7.021
68 HA LYS 8 HA LYS 8 11.169 11.188 -7.177
69 HB2 LYS 8 2HB LYS 8 9.785 9.646 -4.978
70 HB3 LYS 8 3HB LYS 8 10.358 11.299 -4.802
71 HG2 LYS 8 2HG LYS 8 8.687 12.163 -6.060
72 HG3 LYS 8 3HG LYS 8 8.586 10.741 -7.102
73 HD2 LYS 8 2HD LYS 8 6.605 10.615 -5.913
74 HD3 LYS 8 3HD LYS 8 7.670 9.568 -4.971
75 HE2 LYS 8 2HE LYS 8 8.183 11.819 -3.697
76 HE3 LYS 8 3HE LYS 8 6.604 12.275 -4.333
77 HZ1 LYS 8 3HZ LYS 8 6.077 9.853 -3.358
78 HZ2 LYS 8 1HZ LYS 8 5.887 11.279 -2.469
79 HZ3 LYS 8 2HZ LYS 8 7.284 10.345 -2.280
80 H CYS 9 H CYS 9 11.667 8.319 -5.113
81 HA CYS 9 HA CYS 9 14.430 9.246 -4.676
82 HB2 CYS 9 2HB CYS 9 14.275 7.961 -2.491
83 HB3 CYS 9 3HB CYS 9 13.326 9.439 -2.584
84 HG CYS 9 HG CYS 9 11.793 7.619 -1.191
85 HA PRO 10 HA PRO 10 14.550 5.147 -6.844
86 HB2 PRO 10 2HB PRO 10 16.522 5.858 -8.570
87 HB3 PRO 10 3HB PRO 10 14.810 6.163 -8.889
88 HG2 PRO 10 2HG PRO 10 16.903 8.030 -7.842
89 HG3 PRO 10 3HG PRO 10 15.645 8.327 -9.056
90 HD2 PRO 10 2HD PRO 10 15.408 9.139 -6.484
91 HD3 PRO 10 3HD PRO 10 14.010 8.654 -7.464
92 H LEU 11 H LEU 11 16.802 7.181 -5.202
93 HA LEU 11 HA LEU 11 19.136 5.680 -5.278
94 HB2 LEU 11 2HB LEU 11 17.993 7.351 -3.047
95 HB3 LEU 11 3HB LEU 11 19.635 6.712 -3.062
96 HG LEU 11 HG LEU 11 18.948 8.285 -5.435
97 HD11 LEU 11 1HD1 LEU 11 18.665 10.358 -4.497
98 HD12 LEU 11 2HD1 LEU 11 19.380 9.883 -2.958
99 HD13 LEU 11 3HD1 LEU 11 17.748 9.357 -3.371
100 HD21 LEU 11 3HD2 LEU 11 21.146 8.935 -5.303
101 HD22 LEU 11 1HD2 LEU 11 21.215 7.368 -4.496
102 HD23 LEU 11 2HD2 LEU 11 21.180 8.851 -3.541
103 H PHE 12 H PHE 12 16.177 5.132 -3.537
104 HA PHE 12 HA PHE 12 17.403 2.815 -2.196
105 HB2 PHE 12 2HB PHE 12 16.473 4.457 -0.633
106 HB3 PHE 12 3HB PHE 12 14.913 4.358 -1.441
107 HD1 PHE 12 HD1 PHE 12 13.336 3.210 -0.253
108 HD2 PHE 12 HD2 PHE 12 17.385 1.913 -0.076
109 HE1 PHE 12 HE1 PHE 12 12.677 1.371 1.243
110 HE2 PHE 12 HE2 PHE 12 16.734 0.071 1.419
111 HZ PHE 12 HZ PHE 12 14.377 -0.203 2.080
112 H GLY 13 H GLY 13 14.811 3.915 -4.263
113 HA2 GLY 13 2HA GLY 13 13.169 1.653 -4.249
114 HA3 GLY 13 3HA GLY 13 13.329 2.775 -5.592
115 H LYS 14 H LYS 14 16.296 2.107 -5.635
116 HA LYS 14 HA LYS 14 16.257 0.272 -7.727
117 HB2 LYS 14 2HB LYS 14 18.710 0.086 -7.356
118 HB3 LYS 14 3HB LYS 14 18.138 1.748 -7.417
119 HG2 LYS 14 2HG LYS 14 19.288 2.054 -5.541
120 HG3 LYS 14 3HG LYS 14 18.005 1.146 -4.738
121 HD2 LYS 14 2HD LYS 14 19.550 -0.341 -4.138
122 HD3 LYS 14 3HD LYS 14 19.688 -0.789 -5.840
123 HE2 LYS 14 2HE LYS 14 21.339 1.139 -6.043
124 HE3 LYS 14 3HE LYS 14 21.352 1.171 -4.280
125 HZ1 LYS 14 3HZ LYS 14 21.897 -1.318 -5.777
126 HZ2 LYS 14 1HZ LYS 14 22.295 -0.939 -4.176
127 HZ3 LYS 14 2HZ LYS 14 23.126 -0.201 -5.451
128 H GLY 15 H GLY 15 16.416 -0.230 -4.277
129 HA2 GLY 15 2HA GLY 15 17.068 -3.053 -4.581
130 HA3 GLY 15 3HA GLY 15 16.855 -2.189 -3.066
131 H GLY 16 H GLY 16 14.340 -1.080 -3.441
132 HA2 GLY 16 2HA GLY 16 12.676 -3.255 -2.746
133 HA3 GLY 16 3HA GLY 16 12.137 -1.616 -3.077
Start of MODEL 11
1 H1 VAL 1 H VAL 1 4.471 -3.095 -2.051
2 HA VAL 1 HA VAL 1 3.850 -1.116 -0.966
3 HB VAL 1 HB VAL 1 6.489 -1.806 0.334
4 HG11 VAL 1 1HG1 VAL 1 4.945 -0.994 2.352
5 HG12 VAL 1 2HG1 VAL 1 5.951 0.116 1.419
6 HG13 VAL 1 3HG1 VAL 1 4.230 -0.032 1.059
7 HG21 VAL 1 3HG2 VAL 1 3.938 -3.214 0.217
8 HG22 VAL 1 1HG2 VAL 1 5.525 -3.783 0.736
9 HG23 VAL 1 2HG2 VAL 1 4.489 -2.909 1.864
10 H ALA 2 H ALA 2 6.975 -1.076 -2.477
11 HA ALA 2 HA ALA 2 6.976 1.870 -2.351
12 HB1 ALA 2 1HB ALA 2 9.408 0.141 -2.749
13 HB2 ALA 2 2HB ALA 2 9.350 1.872 -2.410
14 HB3 ALA 2 3HB ALA 2 8.869 0.714 -1.170
15 H ARG 3 H ARG 3 5.583 0.225 -4.293
16 HA ARG 3 HA ARG 3 6.969 -0.042 -6.709
17 HB2 ARG 3 2HB ARG 3 4.715 0.006 -7.767
18 HB3 ARG 3 3HB ARG 3 4.831 -1.106 -6.410
19 HG2 ARG 3 2HG ARG 3 3.863 0.810 -5.009
20 HG3 ARG 3 3HG ARG 3 3.425 1.532 -6.559
21 HD2 ARG 3 2HD ARG 3 1.734 0.101 -6.868
22 HD3 ARG 3 3HD ARG 3 2.701 -1.283 -6.361
23 HE ARG 3 HE ARG 3 2.156 0.012 -4.037
24 HH11 ARG 3 1HH1 ARG 3 0.206 -1.199 -6.654
25 HH12 ARG 3 2HH1 ARG 3 -1.168 -1.528 -5.651
26 HH21 ARG 3 2HH2 ARG 3 -1.083 -1.080 -3.405
27 HH22 ARG 3 1HH2 ARG 3 0.354 -0.416 -2.706
28 H GLY 4 H GLY 4 5.456 2.730 -5.203
29 HA2 GLY 4 2HA GLY 4 6.154 4.355 -7.567
30 HA3 GLY 4 3HA GLY 4 4.894 4.768 -6.414
31 H TRP 5 H TRP 5 8.080 3.576 -5.538
32 HA TRP 5 HA TRP 5 8.670 6.226 -4.391
33 HB2 TRP 5 2HB TRP 5 8.357 3.843 -3.022
34 HB3 TRP 5 3HB TRP 5 10.105 3.986 -3.182
35 HD1 TRP 5 HD1 TRP 5 11.306 5.603 -1.558
36 HE1 TRP 5 HE1 TRP 5 10.531 7.253 0.259
37 HE3 TRP 5 HE3 TRP 5 6.280 5.534 -2.490
38 HZ2 TRP 5 HZ2 TRP 5 8.110 8.376 1.177
39 HZ3 TRP 5 HZ3 TRP 5 4.803 6.924 -1.097
40 HH2 TRP 5 HH2 TRP 5 5.701 8.315 0.698
41 H LYS 6 H LYS 6 9.359 5.291 -7.050
42 HA LYS 6 HA LYS 6 12.293 5.154 -6.818
43 HB2 LYS 6 2HB LYS 6 12.243 4.228 -9.133
44 HB3 LYS 6 3HB LYS 6 11.450 3.204 -7.944
45 HG2 LYS 6 2HG LYS 6 9.657 3.166 -9.235
46 HG3 LYS 6 3HG LYS 6 9.460 4.899 -8.965
47 HD2 LYS 6 2HD LYS 6 9.644 4.979 -11.218
48 HD3 LYS 6 3HD LYS 6 11.372 4.942 -10.856
49 HE2 LYS 6 2HE LYS 6 9.637 2.568 -11.529
50 HE3 LYS 6 3HE LYS 6 10.813 3.332 -12.597
51 HZ1 LYS 6 3HZ LYS 6 12.448 2.800 -10.689
52 HZ2 LYS 6 1HZ LYS 6 11.984 1.562 -11.745
53 HZ3 LYS 6 2HZ LYS 6 11.280 1.673 -10.211
54 H ARG 7 H ARG 7 9.582 6.834 -8.227
55 HA ARG 7 HA ARG 7 10.993 8.417 -10.086
56 HB2 ARG 7 2HB ARG 7 8.351 8.718 -8.685
57 HB3 ARG 7 3HB ARG 7 8.968 9.990 -9.732
58 HG2 ARG 7 2HG ARG 7 8.649 7.146 -10.645
59 HG3 ARG 7 3HG ARG 7 7.368 8.352 -10.783
60 HD2 ARG 7 2HD ARG 7 9.654 9.584 -11.808
61 HD3 ARG 7 3HD ARG 7 9.694 7.938 -12.440
62 HE ARG 7 HE ARG 7 7.865 8.422 -13.737
63 HH11 ARG 7 1HH1 ARG 7 8.282 10.918 -11.347
64 HH12 ARG 7 2HH1 ARG 7 7.092 11.966 -12.044
65 HH21 ARG 7 2HH2 ARG 7 5.961 11.324 -13.931
66 HH22 ARG 7 1HH2 ARG 7 6.295 9.793 -14.665
67 H LYS 8 H LYS 8 9.454 9.696 -7.148
68 HA LYS 8 HA LYS 8 11.185 11.932 -7.014
69 HB2 LYS 8 2HB LYS 8 9.547 10.822 -4.737
70 HB3 LYS 8 3HB LYS 8 10.067 12.485 -4.975
71 HG2 LYS 8 2HG LYS 8 8.092 12.872 -5.898
72 HG3 LYS 8 3HG LYS 8 8.608 11.874 -7.260
73 HD2 LYS 8 2HD LYS 8 7.819 9.907 -5.717
74 HD3 LYS 8 3HD LYS 8 6.869 11.173 -4.935
75 HE2 LYS 8 2HE LYS 8 5.989 11.766 -7.217
76 HE3 LYS 8 3HE LYS 8 6.770 10.305 -7.818
77 HZ1 LYS 8 3HZ LYS 8 5.390 8.960 -6.483
78 HZ2 LYS 8 1HZ LYS 8 4.361 10.086 -7.217
79 HZ3 LYS 8 2HZ LYS 8 4.809 10.279 -5.597
80 H CYS 9 H CYS 9 11.342 8.716 -5.717
81 HA CYS 9 HA CYS 9 13.797 9.447 -4.260
82 HB2 CYS 9 2HB CYS 9 11.787 7.265 -3.679
83 HB3 CYS 9 3HB CYS 9 13.349 7.392 -2.879
84 HG CYS 9 HG CYS 9 12.128 10.304 -2.483
85 HA PRO 10 HA PRO 10 14.948 6.660 -7.797
86 HB2 PRO 10 2HB PRO 10 17.095 8.133 -8.567
87 HB3 PRO 10 3HB PRO 10 15.455 8.450 -9.146
88 HG2 PRO 10 2HG PRO 10 16.995 9.819 -6.974
89 HG3 PRO 10 3HG PRO 10 15.973 10.527 -8.238
90 HD2 PRO 10 2HD PRO 10 15.111 10.176 -5.696
91 HD3 PRO 10 3HD PRO 10 14.024 10.070 -7.096
92 H LEU 11 H LEU 11 16.528 7.968 -5.012
93 HA LEU 11 HA LEU 11 18.985 6.604 -5.166
94 HB2 LEU 11 2HB LEU 11 18.070 8.486 -3.551
95 HB3 LEU 11 3HB LEU 11 17.705 7.099 -2.527
96 HG LEU 11 HG LEU 11 19.801 7.975 -1.828
97 HD11 LEU 11 1HD1 LEU 11 20.374 5.577 -3.562
98 HD12 LEU 11 2HD1 LEU 11 19.602 5.512 -1.978
99 HD13 LEU 11 3HD1 LEU 11 21.262 6.089 -2.126
100 HD21 LEU 11 3HD2 LEU 11 21.136 9.083 -3.209
101 HD22 LEU 11 1HD2 LEU 11 20.106 8.628 -4.567
102 HD23 LEU 11 2HD2 LEU 11 21.464 7.600 -4.106
103 H PHE 12 H PHE 12 15.923 5.745 -3.584
104 HA PHE 12 HA PHE 12 16.932 2.991 -3.313
105 HB2 PHE 12 2HB PHE 12 14.992 4.570 -1.634
106 HB3 PHE 12 3HB PHE 12 15.060 2.813 -1.561
107 HD1 PHE 12 HD1 PHE 12 17.714 2.017 -1.477
108 HD2 PHE 12 HD2 PHE 12 16.037 5.588 0.122
109 HE1 PHE 12 HE1 PHE 12 19.561 2.155 0.142
110 HE2 PHE 12 HE2 PHE 12 17.882 5.732 1.744
111 HZ PHE 12 HZ PHE 12 19.648 4.015 1.755
112 H GLY 13 H GLY 13 16.087 3.443 -5.759
113 HA2 GLY 13 2HA GLY 13 13.235 2.808 -5.936
114 HA3 GLY 13 3HA GLY 13 14.278 3.265 -7.273
115 H LYS 14 H LYS 14 15.398 0.878 -5.040
116 HA LYS 14 HA LYS 14 15.796 -1.056 -7.047
117 HB2 LYS 14 2HB LYS 14 15.725 -1.364 -4.040
118 HB3 LYS 14 3HB LYS 14 16.307 -2.591 -5.157
119 HG2 LYS 14 2HG LYS 14 18.166 -1.298 -5.779
120 HG3 LYS 14 3HG LYS 14 17.488 0.166 -5.063
121 HD2 LYS 14 2HD LYS 14 18.713 -0.301 -3.257
122 HD3 LYS 14 3HD LYS 14 17.585 -1.625 -2.953
123 HE2 LYS 14 2HE LYS 14 19.777 -2.138 -4.877
124 HE3 LYS 14 3HE LYS 14 20.226 -1.981 -3.179
125 HZ1 LYS 14 3HZ LYS 14 18.560 -4.018 -4.477
126 HZ2 LYS 14 1HZ LYS 14 18.255 -3.630 -2.858
127 HZ3 LYS 14 2HZ LYS 14 19.778 -4.203 -3.318
128 H GLY 15 H GLY 15 13.125 -0.413 -4.900
129 HA2 GLY 15 2HA GLY 15 11.801 -2.867 -4.960
130 HA3 GLY 15 3HA GLY 15 11.014 -1.306 -4.786
131 H GLY 16 H GLY 16 12.057 -0.402 -7.418
132 HA2 GLY 16 2HA GLY 16 11.510 -0.513 -9.657
133 HA3 GLY 16 3HA GLY 16 11.005 -2.177 -9.402
Start of MODEL 12
1 H1 VAL 1 H VAL 1 7.124 -0.218 0.739
2 HA VAL 1 HA VAL 1 7.211 -1.746 -1.344
3 HB VAL 1 HB VAL 1 6.064 -0.649 -3.286
4 HG11 VAL 1 1HG1 VAL 1 4.637 -1.966 -1.029
5 HG12 VAL 1 2HG1 VAL 1 3.693 -1.366 -2.394
6 HG13 VAL 1 3HG1 VAL 1 4.966 -2.559 -2.657
7 HG21 VAL 1 3HG2 VAL 1 5.766 1.558 -2.188
8 HG22 VAL 1 1HG2 VAL 1 4.281 0.919 -2.893
9 HG23 VAL 1 2HG2 VAL 1 4.536 0.836 -1.150
10 H ALA 2 H ALA 2 8.620 -1.132 -3.071
11 HA ALA 2 HA ALA 2 9.996 1.423 -2.564
12 HB1 ALA 2 1HB ALA 2 11.990 0.407 -2.785
13 HB2 ALA 2 2HB ALA 2 11.073 -1.053 -2.412
14 HB3 ALA 2 3HB ALA 2 11.430 -0.641 -4.089
15 H ARG 3 H ARG 3 7.688 1.215 -4.247
16 HA ARG 3 HA ARG 3 8.899 1.785 -6.873
17 HB2 ARG 3 2HB ARG 3 6.737 1.124 -7.878
18 HB3 ARG 3 3HB ARG 3 7.516 -0.197 -7.018
19 HG2 ARG 3 2HG ARG 3 6.000 0.640 -5.037
20 HG3 ARG 3 3HG ARG 3 5.034 1.294 -6.361
21 HD2 ARG 3 2HD ARG 3 5.131 -1.016 -7.392
22 HD3 ARG 3 3HD ARG 3 5.797 -1.572 -5.857
23 HE ARG 3 HE ARG 3 3.710 -1.390 -4.915
24 HH11 ARG 3 1HH1 ARG 3 3.739 0.213 -8.006
25 HH12 ARG 3 2HH1 ARG 3 2.023 0.446 -8.047
26 HH21 ARG 3 2HH2 ARG 3 0.722 -0.294 -6.313
27 HH22 ARG 3 1HH2 ARG 3 1.450 -1.089 -4.958
28 H GLY 4 H GLY 4 6.604 2.766 -4.418
29 HA2 GLY 4 2HA GLY 4 5.326 4.855 -5.775
30 HA3 GLY 4 3HA GLY 4 5.536 4.760 -4.033
31 H TRP 5 H TRP 5 8.546 4.635 -4.586
32 HA TRP 5 HA TRP 5 8.887 7.546 -4.775
33 HB2 TRP 5 2HB TRP 5 10.903 5.556 -3.729
34 HB3 TRP 5 3HB TRP 5 10.890 7.303 -3.500
35 HD1 TRP 5 HD1 TRP 5 10.506 4.539 -1.413
36 HE1 TRP 5 HE1 TRP 5 8.807 4.896 0.487
37 HE3 TRP 5 HE3 TRP 5 8.009 8.578 -3.306
38 HZ2 TRP 5 HZ2 TRP 5 6.687 6.656 1.101
39 HZ3 TRP 5 HZ3 TRP 5 6.158 9.538 -2.000
40 HH2 TRP 5 HH2 TRP 5 5.512 8.595 0.157
41 H LYS 6 H LYS 6 8.884 5.172 -6.864
42 HA LYS 6 HA LYS 6 11.385 5.076 -8.091
43 HB2 LYS 6 2HB LYS 6 10.281 4.186 -9.997
44 HB3 LYS 6 3HB LYS 6 9.370 3.635 -8.597
45 HG2 LYS 6 2HG LYS 6 7.955 5.802 -9.093
46 HG3 LYS 6 3HG LYS 6 8.614 5.575 -10.715
47 HD2 LYS 6 2HD LYS 6 7.523 3.165 -9.401
48 HD3 LYS 6 3HD LYS 6 6.350 4.405 -9.850
49 HE2 LYS 6 2HE LYS 6 6.474 3.825 -11.993
50 HE3 LYS 6 3HE LYS 6 8.229 3.995 -11.985
51 HZ1 LYS 6 3HZ LYS 6 7.378 1.735 -12.567
52 HZ2 LYS 6 1HZ LYS 6 6.830 1.585 -10.974
53 HZ3 LYS 6 2HZ LYS 6 8.482 1.764 -11.285
54 H ARG 7 H ARG 7 9.020 7.585 -8.028
55 HA ARG 7 HA ARG 7 10.375 9.017 -10.205
56 HB2 ARG 7 2HB ARG 7 7.644 9.140 -9.020
57 HB3 ARG 7 3HB ARG 7 8.315 10.619 -9.694
58 HG2 ARG 7 2HG ARG 7 8.203 9.866 -11.827
59 HG3 ARG 7 3HG ARG 7 8.488 8.186 -11.366
60 HD2 ARG 7 2HD ARG 7 6.220 7.985 -10.555
61 HD3 ARG 7 3HD ARG 7 5.924 9.694 -10.870
62 HE ARG 7 HE ARG 7 5.850 7.552 -12.769
63 HH11 ARG 7 1HH1 ARG 7 6.429 10.960 -12.362
64 HH12 ARG 7 2HH1 ARG 7 6.029 11.357 -14.001
65 HH21 ARG 7 2HH2 ARG 7 5.397 9.707 -15.459
66 HH22 ARG 7 1HH2 ARG 7 5.320 8.061 -14.928
67 H LYS 8 H LYS 8 9.598 9.168 -6.794
68 HA LYS 8 HA LYS 8 10.757 11.817 -6.509
69 HB2 LYS 8 2HB LYS 8 9.144 10.000 -4.836
70 HB3 LYS 8 3HB LYS 8 10.333 10.956 -3.961
71 HG2 LYS 8 2HG LYS 8 8.653 12.448 -3.879
72 HG3 LYS 8 3HG LYS 8 9.246 12.878 -5.485
73 HD2 LYS 8 2HD LYS 8 7.214 12.424 -6.273
74 HD3 LYS 8 3HD LYS 8 7.505 10.727 -5.887
75 HE2 LYS 8 2HE LYS 8 6.607 11.113 -3.627
76 HE3 LYS 8 3HE LYS 8 6.275 12.789 -4.060
77 HZ1 LYS 8 3HZ LYS 8 4.597 10.641 -4.399
78 HZ2 LYS 8 1HZ LYS 8 5.154 10.993 -5.958
79 HZ3 LYS 8 2HZ LYS 8 4.393 12.193 -5.040
80 H CYS 9 H CYS 9 11.277 8.903 -4.541
81 HA CYS 9 HA CYS 9 14.165 9.474 -4.636
82 HB2 CYS 9 2HB CYS 9 12.572 8.113 -2.453
83 HB3 CYS 9 3HB CYS 9 14.312 8.372 -2.433
84 HG CYS 9 HG CYS 9 11.826 10.664 -2.063
85 HA PRO 10 HA PRO 10 13.500 5.395 -6.744
86 HB2 PRO 10 2HB PRO 10 15.226 5.902 -8.777
87 HB3 PRO 10 3HB PRO 10 13.526 6.385 -8.817
88 HG2 PRO 10 2HG PRO 10 15.944 8.019 -8.150
89 HG3 PRO 10 3HG PRO 10 14.543 8.451 -9.147
90 HD2 PRO 10 2HD PRO 10 14.815 9.273 -6.581
91 HD3 PRO 10 3HD PRO 10 13.233 8.941 -7.315
92 H LEU 11 H LEU 11 16.134 7.144 -5.420
93 HA LEU 11 HA LEU 11 18.266 5.388 -5.883
94 HB2 LEU 11 2HB LEU 11 18.429 7.695 -4.956
95 HB3 LEU 11 3HB LEU 11 17.811 7.073 -3.427
96 HG LEU 11 HG LEU 11 20.175 5.655 -4.410
97 HD11 LEU 11 1HD1 LEU 11 20.449 8.537 -3.570
98 HD12 LEU 11 2HD1 LEU 11 20.676 7.934 -5.211
99 HD13 LEU 11 3HD1 LEU 11 21.758 7.409 -3.922
100 HD21 LEU 11 3HD2 LEU 11 18.970 5.602 -2.121
101 HD22 LEU 11 1HD2 LEU 11 19.864 7.088 -1.801
102 HD23 LEU 11 2HD2 LEU 11 20.734 5.597 -2.161
103 H PHE 12 H PHE 12 15.585 5.218 -3.686
104 HA PHE 12 HA PHE 12 16.706 2.736 -2.558
105 HB2 PHE 12 2HB PHE 12 16.037 4.978 -1.132
106 HB3 PHE 12 3HB PHE 12 14.559 4.028 -1.021
107 HD1 PHE 12 HD1 PHE 12 17.052 4.837 0.935
108 HD2 PHE 12 HD2 PHE 12 15.560 1.296 -0.897
109 HE1 PHE 12 HE1 PHE 12 18.062 3.487 2.728
110 HE2 PHE 12 HE2 PHE 12 16.566 -0.058 0.893
111 HZ PHE 12 HZ PHE 12 17.818 1.037 2.709
112 H GLY 13 H GLY 13 15.021 3.229 -4.977
113 HA2 GLY 13 2HA GLY 13 12.628 1.695 -4.176
114 HA3 GLY 13 3HA GLY 13 12.701 2.762 -5.570
115 H LYS 14 H LYS 14 15.272 0.542 -4.727
116 HA LYS 14 HA LYS 14 14.580 -1.062 -7.102
117 HB2 LYS 14 2HB LYS 14 17.082 -1.540 -7.184
118 HB3 LYS 14 3HB LYS 14 16.572 0.079 -7.643
119 HG2 LYS 14 2HG LYS 14 17.818 0.997 -6.057
120 HG3 LYS 14 3HG LYS 14 17.126 -0.055 -4.820
121 HD2 LYS 14 2HD LYS 14 18.692 -1.829 -5.462
122 HD3 LYS 14 3HD LYS 14 19.387 -0.768 -6.690
123 HE2 LYS 14 2HE LYS 14 20.735 -0.833 -4.633
124 HE3 LYS 14 3HE LYS 14 20.120 0.782 -4.982
125 HZ1 LYS 14 3HZ LYS 14 18.836 -1.100 -3.080
126 HZ2 LYS 14 1HZ LYS 14 18.448 0.529 -3.325
127 HZ3 LYS 14 2HZ LYS 14 19.927 0.109 -2.620
128 H GLY 15 H GLY 15 13.840 -1.424 -4.233
129 HA2 GLY 15 2HA GLY 15 15.356 -3.782 -3.443
130 HA3 GLY 15 3HA GLY 15 14.075 -3.009 -2.522
131 H GLY 16 H GLY 16 11.887 -3.072 -3.919
132 HA2 GLY 16 2HA GLY 16 10.469 -4.425 -5.287
133 HA3 GLY 16 3HA GLY 16 11.591 -5.761 -5.070
Start of MODEL 13
1 H1 VAL 1 H VAL 1 3.474 5.449 -1.530
2 HA VAL 1 HA VAL 1 5.536 6.832 -1.383
3 HB VAL 1 HB VAL 1 5.914 5.290 1.187
4 HG11 VAL 1 1HG1 VAL 1 8.013 5.750 0.092
5 HG12 VAL 1 2HG1 VAL 1 7.562 7.441 -0.138
6 HG13 VAL 1 3HG1 VAL 1 7.841 6.814 1.487
7 HG21 VAL 1 3HG2 VAL 1 4.314 6.856 1.773
8 HG22 VAL 1 1HG2 VAL 1 5.815 7.717 2.111
9 HG23 VAL 1 2HG2 VAL 1 4.919 8.056 0.631
10 H ALA 2 H ALA 2 4.741 3.498 -0.804
11 HA ALA 2 HA ALA 2 7.260 2.476 -1.767
12 HB1 ALA 2 1HB ALA 2 4.909 0.692 -1.657
13 HB2 ALA 2 2HB ALA 2 6.551 0.448 -1.061
14 HB3 ALA 2 3HB ALA 2 5.413 1.426 -0.135
15 H ARG 3 H ARG 3 4.166 3.304 -3.100
16 HA ARG 3 HA ARG 3 4.049 1.766 -5.387
17 HB2 ARG 3 2HB ARG 3 2.256 3.283 -4.704
18 HB3 ARG 3 3HB ARG 3 3.273 4.670 -5.068
19 HG2 ARG 3 2HG ARG 3 1.589 4.199 -6.809
20 HG3 ARG 3 3HG ARG 3 3.248 4.145 -7.410
21 HD2 ARG 3 2HD ARG 3 3.043 2.014 -8.026
22 HD3 ARG 3 3HD ARG 3 2.376 1.557 -6.459
23 HE ARG 3 HE ARG 3 0.915 2.117 -8.872
24 HH11 ARG 3 1HH1 ARG 3 0.773 1.986 -5.396
25 HH12 ARG 3 2HH1 ARG 3 -0.944 1.762 -5.344
26 HH21 ARG 3 2HH2 ARG 3 -2.149 1.668 -7.291
27 HH22 ARG 3 1HH2 ARG 3 -1.347 1.822 -8.817
28 H GLY 4 H GLY 4 5.941 4.680 -4.773
29 HA2 GLY 4 2HA GLY 4 7.110 4.451 -7.467
30 HA3 GLY 4 3HA GLY 4 7.151 5.893 -6.464
31 H TRP 5 H TRP 5 8.094 2.478 -6.042
32 HA TRP 5 HA TRP 5 10.199 2.943 -4.290
33 HB2 TRP 5 2HB TRP 5 9.434 0.721 -6.113
34 HB3 TRP 5 3HB TRP 5 11.077 0.713 -5.479
35 HD1 TRP 5 HD1 TRP 5 10.672 1.582 -2.534
36 HE1 TRP 5 HE1 TRP 5 9.375 0.103 -0.875
37 HE3 TRP 5 HE3 TRP 5 7.957 -1.186 -5.866
38 HZ2 TRP 5 HZ2 TRP 5 7.455 -1.965 -0.966
39 HZ3 TRP 5 HZ3 TRP 5 6.414 -2.894 -4.998
40 HH2 TRP 5 HH2 TRP 5 6.170 -3.274 -2.599
41 H LYS 6 H LYS 6 10.038 3.317 -7.734
42 HA LYS 6 HA LYS 6 12.929 3.882 -7.810
43 HB2 LYS 6 2HB LYS 6 12.807 3.473 -10.229
44 HB3 LYS 6 3HB LYS 6 12.272 2.072 -9.311
45 HG2 LYS 6 2HG LYS 6 10.575 2.090 -10.778
46 HG3 LYS 6 3HG LYS 6 9.914 3.314 -9.692
47 HD2 LYS 6 2HD LYS 6 10.004 4.850 -11.299
48 HD3 LYS 6 3HD LYS 6 11.724 4.540 -11.549
49 HE2 LYS 6 2HE LYS 6 11.092 2.594 -12.973
50 HE3 LYS 6 3HE LYS 6 9.406 3.087 -12.818
51 HZ1 LYS 6 3HZ LYS 6 10.832 5.330 -13.611
52 HZ2 LYS 6 1HZ LYS 6 9.725 4.436 -14.526
53 HZ3 LYS 6 2HZ LYS 6 11.373 4.060 -14.588
54 H ARG 7 H ARG 7 9.732 5.104 -8.499
55 HA ARG 7 HA ARG 7 10.642 7.459 -9.865
56 HB2 ARG 7 2HB ARG 7 8.078 6.260 -9.129
57 HB3 ARG 7 3HB ARG 7 8.085 8.013 -8.987
58 HG2 ARG 7 2HG ARG 7 8.616 8.293 -11.271
59 HG3 ARG 7 3HG ARG 7 9.008 6.583 -11.461
60 HD2 ARG 7 2HD ARG 7 6.866 6.928 -12.435
61 HD3 ARG 7 3HD ARG 7 6.617 6.070 -10.914
62 HE ARG 7 HE ARG 7 6.411 8.877 -10.549
63 HH11 ARG 7 1HH1 ARG 7 4.692 6.116 -11.790
64 HH12 ARG 7 2HH1 ARG 7 3.126 6.805 -11.517
65 HH21 ARG 7 2HH2 ARG 7 2.935 8.897 -10.605
66 HH22 ARG 7 1HH2 ARG 7 4.354 9.795 -10.185
67 H LYS 8 H LYS 8 8.651 7.319 -6.924
68 HA LYS 8 HA LYS 8 9.530 9.835 -5.989
69 HB2 LYS 8 2HB LYS 8 8.192 7.575 -4.491
70 HB3 LYS 8 3HB LYS 8 8.373 9.217 -3.888
71 HG2 LYS 8 2HG LYS 8 6.704 10.020 -5.173
72 HG3 LYS 8 3HG LYS 8 7.076 8.942 -6.521
73 HD2 LYS 8 2HD LYS 8 6.168 7.071 -5.014
74 HD3 LYS 8 3HD LYS 8 5.480 8.374 -4.042
75 HE2 LYS 8 2HE LYS 8 4.182 9.158 -5.889
76 HE3 LYS 8 3HE LYS 8 5.006 8.067 -7.001
77 HZ1 LYS 8 3HZ LYS 8 2.678 7.576 -5.604
78 HZ2 LYS 8 1HZ LYS 8 3.856 6.618 -4.856
79 HZ3 LYS 8 2HZ LYS 8 3.572 6.468 -6.517
80 H CYS 9 H CYS 9 10.762 6.618 -5.609
81 HA CYS 9 HA CYS 9 12.756 7.619 -3.685
82 HB2 CYS 9 2HB CYS 9 11.722 4.807 -4.094
83 HB3 CYS 9 3HB CYS 9 13.054 5.229 -3.025
84 HG CYS 9 HG CYS 9 9.904 5.111 -2.325
85 HA PRO 10 HA PRO 10 14.949 6.743 -7.685
86 HB2 PRO 10 2HB PRO 10 16.439 9.012 -7.635
87 HB3 PRO 10 3HB PRO 10 14.814 8.945 -8.327
88 HG2 PRO 10 2HG PRO 10 15.687 9.921 -5.635
89 HG3 PRO 10 3HG PRO 10 14.517 10.636 -6.759
90 HD2 PRO 10 2HD PRO 10 13.765 9.177 -4.606
91 HD3 PRO 10 3HD PRO 10 12.833 9.200 -6.117
92 H LEU 11 H LEU 11 15.853 7.447 -4.426
93 HA LEU 11 HA LEU 11 18.646 6.767 -4.827
94 HB2 LEU 11 2HB LEU 11 17.015 7.538 -2.426
95 HB3 LEU 11 3HB LEU 11 18.681 6.981 -2.286
96 HG LEU 11 HG LEU 11 17.808 9.407 -3.853
97 HD11 LEU 11 1HD1 LEU 11 18.397 10.753 -2.066
98 HD12 LEU 11 2HD1 LEU 11 19.325 9.479 -1.277
99 HD13 LEU 11 3HD1 LEU 11 17.563 9.414 -1.278
100 HD21 LEU 11 3HD2 LEU 11 20.526 9.482 -3.109
101 HD22 LEU 11 1HD2 LEU 11 19.844 9.336 -4.729
102 HD23 LEU 11 2HD2 LEU 11 20.227 7.887 -3.800
103 H PHE 12 H PHE 12 15.701 5.282 -3.697
104 HA PHE 12 HA PHE 12 17.198 2.842 -3.011
105 HB2 PHE 12 2HB PHE 12 14.409 3.681 -2.190
106 HB3 PHE 12 3HB PHE 12 15.191 2.170 -1.735
107 HD1 PHE 12 HD1 PHE 12 17.846 2.909 -0.969
108 HD2 PHE 12 HD2 PHE 12 14.196 5.001 -0.325
109 HE1 PHE 12 HE1 PHE 12 18.828 4.009 1.000
110 HE2 PHE 12 HE2 PHE 12 15.172 6.105 1.645
111 HZ PHE 12 HZ PHE 12 17.492 5.611 2.309
112 H GLY 13 H GLY 13 16.470 3.721 -5.718
113 HA2 GLY 13 2HA GLY 13 14.441 1.729 -6.463
114 HA3 GLY 13 3HA GLY 13 15.000 3.050 -7.478
115 H LYS 14 H LYS 14 17.257 1.074 -5.715
116 HA LYS 14 HA LYS 14 18.198 -0.029 -8.274
117 HB2 LYS 14 2HB LYS 14 20.341 -0.431 -6.971
118 HB3 LYS 14 3HB LYS 14 19.925 1.249 -7.282
119 HG2 LYS 14 2HG LYS 14 19.848 1.720 -5.114
120 HG3 LYS 14 3HG LYS 14 18.819 0.327 -4.774
121 HD2 LYS 14 2HD LYS 14 20.579 -1.013 -4.234
122 HD3 LYS 14 3HD LYS 14 21.676 -0.209 -5.359
123 HE2 LYS 14 2HE LYS 14 21.481 1.796 -3.733
124 HE3 LYS 14 3HE LYS 14 20.878 0.600 -2.587
125 HZ1 LYS 14 3HZ LYS 14 22.960 0.038 -2.160
126 HZ2 LYS 14 1HZ LYS 14 23.536 1.146 -3.302
127 HZ3 LYS 14 2HZ LYS 14 23.179 -0.441 -3.768
128 H GLY 15 H GLY 15 17.143 -0.849 -5.047
129 HA2 GLY 15 2HA GLY 15 17.649 -3.698 -5.586
130 HA3 GLY 15 3HA GLY 15 17.339 -3.000 -4.003
131 H GLY 16 H GLY 16 15.259 -2.782 -3.280
132 HA2 GLY 16 2HA GLY 16 12.992 -3.004 -5.011
133 HA3 GLY 16 3HA GLY 16 13.300 -4.503 -4.148
Start of MODEL 14
1 H1 VAL 1 H VAL 1 3.939 -2.146 -2.547
2 HA VAL 1 HA VAL 1 2.811 -0.642 -0.994
3 HB VAL 1 HB VAL 1 5.215 -1.117 0.771
4 HG11 VAL 1 1HG1 VAL 1 4.349 1.053 1.160
5 HG12 VAL 1 2HG1 VAL 1 2.683 0.474 1.108
6 HG13 VAL 1 3HG1 VAL 1 3.730 0.032 2.457
7 HG21 VAL 1 3HG2 VAL 1 3.889 -3.133 0.705
8 HG22 VAL 1 1HG2 VAL 1 3.636 -2.319 2.249
9 HG23 VAL 1 2HG2 VAL 1 2.412 -2.211 0.984
10 H ALA 2 H ALA 2 6.153 -0.927 -1.944
11 HA ALA 2 HA ALA 2 6.406 1.991 -2.116
12 HB1 ALA 2 1HB ALA 2 8.418 -0.235 -2.124
13 HB2 ALA 2 2HB ALA 2 8.837 1.399 -2.640
14 HB3 ALA 2 3HB ALA 2 8.264 1.113 -0.997
15 H ARG 3 H ARG 3 4.698 1.404 -3.950
16 HA ARG 3 HA ARG 3 5.756 0.440 -6.413
17 HB2 ARG 3 2HB ARG 3 3.247 1.964 -5.721
18 HB3 ARG 3 3HB ARG 3 3.633 1.462 -7.361
19 HG2 ARG 3 2HG ARG 3 3.315 -0.392 -5.010
20 HG3 ARG 3 3HG ARG 3 2.089 -0.078 -6.240
21 HD2 ARG 3 2HD ARG 3 4.096 -0.753 -7.848
22 HD3 ARG 3 3HD ARG 3 4.607 -1.639 -6.411
23 HE ARG 3 HE ARG 3 2.873 -3.103 -6.734
24 HH11 ARG 3 1HH1 ARG 3 2.374 -0.274 -8.701
25 HH12 ARG 3 2HH1 ARG 3 1.037 -0.953 -9.568
26 HH21 ARG 3 2HH2 ARG 3 0.320 -3.076 -9.094
27 HH22 ARG 3 1HH2 ARG 3 1.113 -4.008 -7.869
28 H GLY 4 H GLY 4 4.355 3.667 -5.881
29 HA2 GLY 4 2HA GLY 4 6.202 4.762 -7.847
30 HA3 GLY 4 3HA GLY 4 4.833 5.594 -7.125
31 H TRP 5 H TRP 5 7.676 3.989 -5.705
32 HA TRP 5 HA TRP 5 8.137 6.410 -4.116
33 HB2 TRP 5 2HB TRP 5 7.889 4.061 -3.078
34 HB3 TRP 5 3HB TRP 5 9.512 3.766 -3.696
35 HD1 TRP 5 HD1 TRP 5 11.429 4.424 -2.127
36 HE1 TRP 5 HE1 TRP 5 11.658 5.869 -0.009
37 HE3 TRP 5 HE3 TRP 5 6.700 6.360 -1.950
38 HZ2 TRP 5 HZ2 TRP 5 10.047 7.600 1.532
39 HZ3 TRP 5 HZ3 TRP 5 6.125 7.903 -0.122
40 HH2 TRP 5 HH2 TRP 5 7.765 8.508 1.583
41 H LYS 6 H LYS 6 9.587 4.343 -6.520
42 HA LYS 6 HA LYS 6 12.248 5.202 -6.338
43 HB2 LYS 6 2HB LYS 6 12.491 4.376 -8.628
44 HB3 LYS 6 3HB LYS 6 11.565 3.247 -7.648
45 HG2 LYS 6 2HG LYS 6 9.693 4.974 -8.825
46 HG3 LYS 6 3HG LYS 6 10.843 4.543 -10.094
47 HD2 LYS 6 2HD LYS 6 10.316 2.307 -9.998
48 HD3 LYS 6 3HD LYS 6 9.788 2.394 -8.316
49 HE2 LYS 6 2HE LYS 6 7.879 2.042 -9.758
50 HE3 LYS 6 3HE LYS 6 7.792 3.648 -9.035
51 HZ1 LYS 6 3HZ LYS 6 7.298 3.432 -11.509
52 HZ2 LYS 6 1HZ LYS 6 8.965 3.232 -11.714
53 HZ3 LYS 6 2HZ LYS 6 8.362 4.659 -11.036
54 H ARG 7 H ARG 7 9.431 6.716 -7.681
55 HA ARG 7 HA ARG 7 10.534 8.500 -9.491
56 HB2 ARG 7 2HB ARG 7 8.151 8.666 -7.670
57 HB3 ARG 7 3HB ARG 7 8.590 10.023 -8.699
58 HG2 ARG 7 2HG ARG 7 8.152 7.257 -9.780
59 HG3 ARG 7 3HG ARG 7 6.847 8.431 -9.599
60 HD2 ARG 7 2HD ARG 7 9.291 9.360 -10.981
61 HD3 ARG 7 3HD ARG 7 8.302 8.177 -11.836
62 HE ARG 7 HE ARG 7 7.676 10.928 -11.365
63 HH11 ARG 7 1HH1 ARG 7 6.314 7.762 -11.853
64 HH12 ARG 7 2HH1 ARG 7 4.810 8.361 -12.472
65 HH21 ARG 7 2HH2 ARG 7 4.463 10.618 -12.657
66 HH22 ARG 7 1HH2 ARG 7 5.701 11.729 -12.178
67 H LYS 8 H LYS 8 9.489 9.564 -6.264
68 HA LYS 8 HA LYS 8 11.276 11.780 -6.276
69 HB2 LYS 8 2HB LYS 8 9.939 10.660 -3.822
70 HB3 LYS 8 3HB LYS 8 10.382 12.328 -4.158
71 HG2 LYS 8 2HG LYS 8 8.166 10.743 -5.435
72 HG3 LYS 8 3HG LYS 8 8.008 12.112 -4.331
73 HD2 LYS 8 2HD LYS 8 9.074 13.565 -5.994
74 HD3 LYS 8 3HD LYS 8 9.216 12.194 -7.097
75 HE2 LYS 8 2HE LYS 8 6.812 11.991 -7.212
76 HE3 LYS 8 3HE LYS 8 6.614 13.258 -6.003
77 HZ1 LYS 8 3HZ LYS 8 6.947 14.861 -7.512
78 HZ2 LYS 8 1HZ LYS 8 6.551 13.670 -8.647
79 HZ3 LYS 8 2HZ LYS 8 8.173 14.017 -8.317
80 H CYS 9 H CYS 9 11.496 8.502 -5.192
81 HA CYS 9 HA CYS 9 14.086 9.100 -3.920
82 HB2 CYS 9 2HB CYS 9 12.093 8.014 -2.593
83 HB3 CYS 9 3HB CYS 9 12.610 6.545 -3.412
84 HG CYS 9 HG CYS 9 15.354 7.683 -2.300
85 HA PRO 10 HA PRO 10 14.907 6.668 -7.796
86 HB2 PRO 10 2HB PRO 10 16.970 8.227 -8.622
87 HB3 PRO 10 3HB PRO 10 15.283 8.578 -9.015
88 HG2 PRO 10 2HG PRO 10 17.015 9.759 -6.878
89 HG3 PRO 10 3HG PRO 10 15.879 10.569 -7.972
90 HD2 PRO 10 2HD PRO 10 15.257 9.977 -5.404
91 HD3 PRO 10 3HD PRO 10 14.045 9.989 -6.701
92 H LEU 11 H LEU 11 16.879 7.877 -5.174
93 HA LEU 11 HA LEU 11 19.214 6.378 -5.699
94 HB2 LEU 11 2HB LEU 11 18.084 7.570 -3.181
95 HB3 LEU 11 3HB LEU 11 19.629 6.723 -3.221
96 HG LEU 11 HG LEU 11 18.985 9.197 -4.824
97 HD11 LEU 11 1HD1 LEU 11 19.023 9.937 -2.611
98 HD12 LEU 11 2HD1 LEU 11 20.670 10.203 -3.181
99 HD13 LEU 11 3HD1 LEU 11 20.305 8.814 -2.159
100 HD21 LEU 11 3HD2 LEU 11 20.768 8.543 -5.994
101 HD22 LEU 11 1HD2 LEU 11 21.181 7.289 -4.825
102 HD23 LEU 11 2HD2 LEU 11 21.715 8.950 -4.562
103 H PHE 12 H PHE 12 16.202 5.620 -4.101
104 HA PHE 12 HA PHE 12 17.233 2.930 -3.485
105 HB2 PHE 12 2HB PHE 12 16.288 4.501 -1.627
106 HB3 PHE 12 3HB PHE 12 14.719 4.041 -2.281
107 HD1 PHE 12 HD1 PHE 12 13.655 2.289 -1.266
108 HD2 PHE 12 HD2 PHE 12 17.910 2.394 -1.258
109 HE1 PHE 12 HE1 PHE 12 13.700 0.227 0.076
110 HE2 PHE 12 HE2 PHE 12 17.962 0.332 0.083
111 HZ PHE 12 HZ PHE 12 15.855 -0.755 0.751
112 H GLY 13 H GLY 13 16.505 3.438 -6.088
113 HA2 GLY 13 2HA GLY 13 13.812 2.273 -6.353
114 HA3 GLY 13 3HA GLY 13 14.662 3.158 -7.611
115 H LYS 14 H LYS 14 16.326 0.780 -5.701
116 HA LYS 14 HA LYS 14 16.806 -0.792 -8.095
117 HB2 LYS 14 2HB LYS 14 18.498 -1.926 -6.813
118 HB3 LYS 14 3HB LYS 14 18.650 -0.198 -6.526
119 HG2 LYS 14 2HG LYS 14 17.076 -0.786 -4.474
120 HG3 LYS 14 3HG LYS 14 17.833 -2.367 -4.682
121 HD2 LYS 14 2HD LYS 14 19.526 0.096 -4.623
122 HD3 LYS 14 3HD LYS 14 18.927 -0.593 -3.113
123 HE2 LYS 14 2HE LYS 14 19.862 -2.815 -4.320
124 HE3 LYS 14 3HE LYS 14 20.957 -1.611 -4.997
125 HZ1 LYS 14 3HZ LYS 14 21.039 -0.907 -2.457
126 HZ2 LYS 14 1HZ LYS 14 22.078 -2.073 -3.108
127 HZ3 LYS 14 2HZ LYS 14 20.700 -2.552 -2.252
128 H GLY 15 H GLY 15 15.070 -1.032 -5.065
129 HA2 GLY 15 2HA GLY 15 14.569 -3.835 -5.198
130 HA3 GLY 15 3HA GLY 15 13.711 -2.675 -4.195
131 H GLY 16 H GLY 16 11.727 -1.962 -4.810
132 HA2 GLY 16 2HA GLY 16 10.358 -1.461 -6.907
133 HA3 GLY 16 3HA GLY 16 10.661 -3.149 -7.291
Start of MODEL 15
1 H1 VAL 1 H VAL 1 1.513 0.013 -2.349
2 HA VAL 1 HA VAL 1 1.169 2.140 -1.602
3 HB VAL 1 HB VAL 1 3.390 1.486 0.339
4 HG11 VAL 1 1HG1 VAL 1 3.035 3.653 0.851
5 HG12 VAL 1 2HG1 VAL 1 1.449 3.687 0.079
6 HG13 VAL 1 3HG1 VAL 1 1.628 3.011 1.699
7 HG21 VAL 1 3HG2 VAL 1 1.232 0.988 1.779
8 HG22 VAL 1 1HG2 VAL 1 0.546 0.629 0.194
9 HG23 VAL 1 2HG2 VAL 1 1.965 -0.252 0.762
10 H ALA 2 H ALA 2 4.459 1.263 -2.338
11 HA ALA 2 HA ALA 2 5.080 4.084 -2.916
12 HB1 ALA 2 1HB ALA 2 6.697 3.402 -1.406
13 HB2 ALA 2 2HB ALA 2 6.798 1.779 -2.090
14 HB3 ALA 2 3HB ALA 2 7.493 3.147 -2.959
15 H ARG 3 H ARG 3 3.702 3.535 -4.890
16 HA ARG 3 HA ARG 3 4.759 1.832 -6.900
17 HB2 ARG 3 2HB ARG 3 2.959 4.190 -7.419
18 HB3 ARG 3 3HB ARG 3 3.058 2.675 -8.308
19 HG2 ARG 3 2HG ARG 3 1.924 3.096 -5.554
20 HG3 ARG 3 3HG ARG 3 1.043 2.682 -7.027
21 HD2 ARG 3 2HD ARG 3 2.253 0.547 -7.130
22 HD3 ARG 3 3HD ARG 3 3.099 0.964 -5.641
23 HE ARG 3 HE ARG 3 0.283 1.072 -5.288
24 HH11 ARG 3 1HH1 ARG 3 2.961 -1.137 -5.548
25 HH12 ARG 3 2HH1 ARG 3 2.196 -2.379 -4.614
26 HH21 ARG 3 2HH2 ARG 3 0.093 -2.048 -3.767
27 HH22 ARG 3 1HH2 ARG 3 -0.735 -0.556 -4.057
28 H GLY 4 H GLY 4 5.407 5.095 -5.941
29 HA2 GLY 4 2HA GLY 4 7.005 5.516 -8.385
30 HA3 GLY 4 3HA GLY 4 6.391 6.800 -7.354
31 H TRP 5 H TRP 5 8.012 3.836 -6.322
32 HA TRP 5 HA TRP 5 9.673 5.084 -4.475
33 HB2 TRP 5 2HB TRP 5 9.153 2.481 -5.206
34 HB3 TRP 5 3HB TRP 5 10.839 2.678 -5.675
35 HD1 TRP 5 HD1 TRP 5 11.909 4.445 -3.314
36 HE1 TRP 5 HE1 TRP 5 12.086 3.471 -0.939
37 HE3 TRP 5 HE3 TRP 5 8.563 0.605 -3.760
38 HZ2 TRP 5 HZ2 TRP 5 10.957 1.354 0.549
39 HZ3 TRP 5 HZ3 TRP 5 8.169 -0.848 -1.814
40 HH2 TRP 5 HH2 TRP 5 9.343 -0.480 0.295
41 H LYS 6 H LYS 6 10.005 4.748 -7.901
42 HA LYS 6 HA LYS 6 12.793 5.657 -7.797
43 HB2 LYS 6 2HB LYS 6 11.266 4.834 -10.263
44 HB3 LYS 6 3HB LYS 6 13.009 4.948 -10.057
45 HG2 LYS 6 2HG LYS 6 13.034 2.783 -9.605
46 HG3 LYS 6 3HG LYS 6 12.145 3.127 -8.120
47 HD2 LYS 6 2HD LYS 6 10.852 1.514 -9.229
48 HD3 LYS 6 3HD LYS 6 10.041 3.045 -9.567
49 HE2 LYS 6 2HE LYS 6 11.869 2.812 -11.621
50 HE3 LYS 6 3HE LYS 6 11.309 1.158 -11.384
51 HZ1 LYS 6 3HZ LYS 6 9.063 1.854 -11.700
52 HZ2 LYS 6 1HZ LYS 6 9.974 2.450 -12.995
53 HZ3 LYS 6 2HZ LYS 6 9.504 3.486 -11.744
54 H ARG 7 H ARG 7 9.588 6.685 -8.565
55 HA ARG 7 HA ARG 7 10.381 8.944 -10.160
56 HB2 ARG 7 2HB ARG 7 7.806 7.907 -9.055
57 HB3 ARG 7 3HB ARG 7 7.885 9.582 -9.584
58 HG2 ARG 7 2HG ARG 7 7.949 9.031 -11.760
59 HG3 ARG 7 3HG ARG 7 8.970 7.618 -11.480
60 HD2 ARG 7 2HD ARG 7 7.108 6.300 -10.816
61 HD3 ARG 7 3HD ARG 7 6.055 7.713 -10.740
62 HE ARG 7 HE ARG 7 6.725 6.183 -13.067
63 HH11 ARG 7 1HH1 ARG 7 5.770 9.327 -11.917
64 HH12 ARG 7 2HH1 ARG 7 5.053 9.803 -13.420
65 HH21 ARG 7 2HH2 ARG 7 5.060 8.364 -15.202
66 HH22 ARG 7 1HH2 ARG 7 5.784 6.798 -15.052
67 H LYS 8 H LYS 8 9.885 8.278 -6.799
68 HA LYS 8 HA LYS 8 10.060 11.143 -6.161
69 HB2 LYS 8 2HB LYS 8 9.172 8.792 -4.483
70 HB3 LYS 8 3HB LYS 8 9.348 10.429 -3.867
71 HG2 LYS 8 2HG LYS 8 7.451 9.527 -6.024
72 HG3 LYS 8 3HG LYS 8 7.032 9.962 -4.366
73 HD2 LYS 8 2HD LYS 8 8.456 12.150 -5.308
74 HD3 LYS 8 3HD LYS 8 7.458 11.660 -6.679
75 HE2 LYS 8 2HE LYS 8 6.454 12.185 -3.883
76 HE3 LYS 8 3HE LYS 8 6.334 13.308 -5.236
77 HZ1 LYS 8 3HZ LYS 8 4.751 10.969 -4.637
78 HZ2 LYS 8 1HZ LYS 8 5.232 11.082 -6.256
79 HZ3 LYS 8 2HZ LYS 8 4.356 12.342 -5.544
80 H CYS 9 H CYS 9 11.067 8.228 -4.391
81 HA CYS 9 HA CYS 9 13.725 9.458 -4.075
82 HB2 CYS 9 2HB CYS 9 13.849 8.064 -1.959
83 HB3 CYS 9 3HB CYS 9 12.702 9.398 -1.931
84 HG CYS 9 HG CYS 9 10.473 7.974 -1.845
85 HA PRO 10 HA PRO 10 14.286 5.539 -6.481
86 HB2 PRO 10 2HB PRO 10 16.106 6.589 -8.199
87 HB3 PRO 10 3HB PRO 10 14.362 6.701 -8.461
88 HG2 PRO 10 2HG PRO 10 16.245 8.742 -7.343
89 HG3 PRO 10 3HG PRO 10 14.925 8.957 -8.508
90 HD2 PRO 10 2HD PRO 10 14.668 9.576 -5.884
91 HD3 PRO 10 3HD PRO 10 13.310 8.985 -6.864
92 H LEU 11 H LEU 11 16.221 7.635 -4.611
93 HA LEU 11 HA LEU 11 18.778 6.629 -4.853
94 HB2 LEU 11 2HB LEU 11 17.401 7.470 -2.307
95 HB3 LEU 11 3HB LEU 11 19.142 7.355 -2.551
96 HG LEU 11 HG LEU 11 17.327 9.272 -4.011
97 HD11 LEU 11 1HD1 LEU 11 18.588 10.954 -2.570
98 HD12 LEU 11 2HD1 LEU 11 19.013 9.581 -1.548
99 HD13 LEU 11 3HD1 LEU 11 17.319 10.010 -1.789
100 HD21 LEU 11 3HD2 LEU 11 20.027 10.088 -3.981
101 HD22 LEU 11 1HD2 LEU 11 19.054 9.587 -5.364
102 HD23 LEU 11 2HD2 LEU 11 20.003 8.395 -4.475
103 H PHE 12 H PHE 12 16.024 5.283 -3.137
104 HA PHE 12 HA PHE 12 17.642 2.890 -2.549
105 HB2 PHE 12 2HB PHE 12 16.767 4.312 -0.574
106 HB3 PHE 12 3HB PHE 12 15.188 3.651 -0.984
107 HD1 PHE 12 HD1 PHE 12 18.677 2.434 -0.448
108 HD2 PHE 12 HD2 PHE 12 14.515 1.795 0.173
109 HE1 PHE 12 HE1 PHE 12 19.186 0.419 0.870
110 HE2 PHE 12 HE2 PHE 12 15.017 -0.220 1.492
111 HZ PHE 12 HZ PHE 12 17.355 -0.910 1.843
112 H GLY 13 H GLY 13 15.821 3.755 -4.853
113 HA2 GLY 13 2HA GLY 13 13.833 1.591 -4.696
114 HA3 GLY 13 3HA GLY 13 13.782 2.943 -5.817
115 H LYS 14 H LYS 14 16.796 1.334 -5.316
116 HA LYS 14 HA LYS 14 16.713 0.372 -8.070
117 HB2 LYS 14 2HB LYS 14 19.154 -0.018 -7.731
118 HB3 LYS 14 3HB LYS 14 18.663 1.654 -7.491
119 HG2 LYS 14 2HG LYS 14 19.595 1.637 -5.488
120 HG3 LYS 14 3HG LYS 14 18.502 0.346 -4.986
121 HD2 LYS 14 2HD LYS 14 20.074 -1.260 -5.240
122 HD3 LYS 14 3HD LYS 14 20.788 -0.484 -6.656
123 HE2 LYS 14 2HE LYS 14 21.910 1.131 -5.232
124 HE3 LYS 14 3HE LYS 14 21.144 0.436 -3.804
125 HZ1 LYS 14 3HZ LYS 14 22.301 -1.723 -4.751
126 HZ2 LYS 14 1HZ LYS 14 23.116 -0.647 -3.731
127 HZ3 LYS 14 2HZ LYS 14 23.365 -0.580 -5.402
128 H GLY 15 H GLY 15 16.769 -0.813 -4.796
129 HA2 GLY 15 2HA GLY 15 17.351 -3.541 -5.616
130 HA3 GLY 15 3HA GLY 15 17.058 -2.984 -3.976
131 H GLY 16 H GLY 16 14.574 -1.645 -4.555
132 HA2 GLY 16 2HA GLY 16 12.518 -2.655 -5.783
133 HA3 GLY 16 3HA GLY 16 12.878 -4.035 -4.755
Start of MODEL 16
1 H1 VAL 1 H VAL 1 3.974 -2.022 -2.289
2 HA VAL 1 HA VAL 1 4.676 -0.399 -0.844
3 HB VAL 1 HB VAL 1 7.214 -2.039 -0.880
4 HG11 VAL 1 1HG1 VAL 1 7.588 0.115 0.142
5 HG12 VAL 1 2HG1 VAL 1 6.144 -0.072 1.141
6 HG13 VAL 1 3HG1 VAL 1 7.536 -1.126 1.394
7 HG21 VAL 1 3HG2 VAL 1 5.985 -2.806 1.360
8 HG22 VAL 1 1HG2 VAL 1 4.564 -2.423 0.388
9 HG23 VAL 1 2HG2 VAL 1 5.730 -3.615 -0.186
10 H ALA 2 H ALA 2 6.735 -1.033 -3.576
11 HA ALA 2 HA ALA 2 7.779 1.719 -3.414
12 HB1 ALA 2 1HB ALA 2 9.730 1.046 -4.529
13 HB2 ALA 2 2HB ALA 2 9.418 -0.233 -3.354
14 HB3 ALA 2 3HB ALA 2 9.009 -0.476 -5.052
15 H ARG 3 H ARG 3 5.291 1.608 -4.366
16 HA ARG 3 HA ARG 3 4.945 1.062 -7.088
17 HB2 ARG 3 2HB ARG 3 3.517 2.649 -5.037
18 HB3 ARG 3 3HB ARG 3 3.183 3.071 -6.711
19 HG2 ARG 3 2HG ARG 3 1.953 1.242 -7.042
20 HG3 ARG 3 3HG ARG 3 3.116 0.202 -6.218
21 HD2 ARG 3 2HD ARG 3 1.382 0.026 -4.754
22 HD3 ARG 3 3HD ARG 3 2.160 1.462 -4.090
23 HE ARG 3 HE ARG 3 0.149 2.025 -6.071
24 HH11 ARG 3 1HH1 ARG 3 0.782 1.460 -2.695
25 HH12 ARG 3 2HH1 ARG 3 -0.636 2.296 -2.155
26 HH21 ARG 3 2HH2 ARG 3 -2.060 3.243 -3.679
27 HH22 ARG 3 1HH2 ARG 3 -1.722 3.127 -5.373
28 H GLY 4 H GLY 4 4.957 4.373 -5.785
29 HA2 GLY 4 2HA GLY 4 6.301 5.234 -8.258
30 HA3 GLY 4 3HA GLY 4 5.323 6.261 -7.219
31 H TRP 5 H TRP 5 8.153 4.139 -6.752
32 HA TRP 5 HA TRP 5 9.377 6.282 -5.159
33 HB2 TRP 5 2HB TRP 5 9.218 3.441 -4.840
34 HB3 TRP 5 3HB TRP 5 10.911 3.900 -4.997
35 HD1 TRP 5 HD1 TRP 5 11.855 3.967 -2.618
36 HE1 TRP 5 HE1 TRP 5 11.133 5.013 -0.379
37 HE3 TRP 5 HE3 TRP 5 7.278 5.776 -4.005
38 HZ2 TRP 5 HZ2 TRP 5 8.917 6.418 0.661
39 HZ3 TRP 5 HZ3 TRP 5 5.920 6.958 -2.328
40 HH2 TRP 5 HH2 TRP 5 6.724 7.270 -0.044
41 H LYS 6 H LYS 6 9.802 4.299 -7.996
42 HA LYS 6 HA LYS 6 12.520 4.759 -8.494
43 HB2 LYS 6 2HB LYS 6 11.967 4.231 -10.856
44 HB3 LYS 6 3HB LYS 6 11.306 3.066 -9.717
45 HG2 LYS 6 2HG LYS 6 9.439 3.335 -10.931
46 HG3 LYS 6 3HG LYS 6 9.226 4.764 -9.918
47 HD2 LYS 6 2HD LYS 6 8.911 5.556 -12.096
48 HD3 LYS 6 3HD LYS 6 10.576 6.002 -11.713
49 HE2 LYS 6 2HE LYS 6 10.790 5.103 -13.831
50 HE3 LYS 6 3HE LYS 6 11.162 3.719 -12.804
51 HZ1 LYS 6 3HZ LYS 6 9.191 2.701 -13.302
52 HZ2 LYS 6 1HZ LYS 6 9.488 3.495 -14.766
53 HZ3 LYS 6 2HZ LYS 6 8.387 4.146 -13.660
54 H ARG 7 H ARG 7 9.743 6.794 -8.884
55 HA ARG 7 HA ARG 7 11.302 8.745 -10.423
56 HB2 ARG 7 2HB ARG 7 8.393 8.236 -10.033
57 HB3 ARG 7 3HB ARG 7 8.901 9.892 -10.337
58 HG2 ARG 7 2HG ARG 7 9.390 9.487 -12.491
59 HG3 ARG 7 3HG ARG 7 10.039 7.881 -12.151
60 HD2 ARG 7 2HD ARG 7 8.155 7.287 -13.288
61 HD3 ARG 7 3HD ARG 7 7.495 7.357 -11.654
62 HE ARG 7 HE ARG 7 7.246 9.882 -12.862
63 HH11 ARG 7 1HH1 ARG 7 5.947 6.659 -13.076
64 HH12 ARG 7 2HH1 ARG 7 4.409 7.179 -13.680
65 HH21 ARG 7 2HH2 ARG 7 3.999 9.409 -14.011
66 HH22 ARG 7 1HH2 ARG 7 5.225 10.579 -13.657
67 H LYS 8 H LYS 8 9.823 8.191 -7.325
68 HA LYS 8 HA LYS 8 10.222 10.946 -6.474
69 HB2 LYS 8 2HB LYS 8 9.072 8.514 -5.105
70 HB3 LYS 8 3HB LYS 8 9.314 10.048 -4.279
71 HG2 LYS 8 2HG LYS 8 7.572 9.606 -6.696
72 HG3 LYS 8 3HG LYS 8 7.014 9.792 -5.032
73 HD2 LYS 8 2HD LYS 8 8.481 12.021 -5.248
74 HD3 LYS 8 3HD LYS 8 8.023 11.818 -6.941
75 HE2 LYS 8 2HE LYS 8 5.758 11.376 -5.224
76 HE3 LYS 8 3HE LYS 8 6.496 12.939 -4.875
77 HZ1 LYS 8 3HZ LYS 8 5.186 12.006 -7.318
78 HZ2 LYS 8 1HZ LYS 8 6.473 13.092 -7.483
79 HZ3 LYS 8 2HZ LYS 8 5.118 13.520 -6.566
80 H CYS 9 H CYS 9 10.986 7.910 -4.788
81 HA CYS 9 HA CYS 9 13.655 9.016 -4.206
82 HB2 CYS 9 2HB CYS 9 12.065 7.169 -2.417
83 HB3 CYS 9 3HB CYS 9 13.588 7.962 -2.036
84 HG CYS 9 HG CYS 9 10.561 9.012 -1.477
85 HA PRO 10 HA PRO 10 14.137 5.022 -6.527
86 HB2 PRO 10 2HB PRO 10 16.075 5.950 -8.187
87 HB3 PRO 10 3HB PRO 10 14.350 6.127 -8.531
88 HG2 PRO 10 2HG PRO 10 16.265 8.119 -7.379
89 HG3 PRO 10 3HG PRO 10 15.009 8.356 -8.608
90 HD2 PRO 10 2HD PRO 10 14.661 9.055 -6.015
91 HD3 PRO 10 3HD PRO 10 13.325 8.494 -7.040
92 H LEU 11 H LEU 11 16.187 7.173 -4.773
93 HA LEU 11 HA LEU 11 18.643 5.901 -4.849
94 HB2 LEU 11 2HB LEU 11 17.760 8.057 -3.601
95 HB3 LEU 11 3HB LEU 11 17.657 6.941 -2.242
96 HG LEU 11 HG LEU 11 19.730 8.089 -2.071
97 HD11 LEU 11 1HD1 LEU 11 21.204 6.306 -1.893
98 HD12 LEU 11 2HD1 LEU 11 20.546 5.489 -3.310
99 HD13 LEU 11 3HD1 LEU 11 19.624 5.526 -1.808
100 HD21 LEU 11 3HD2 LEU 11 20.884 7.168 -4.606
101 HD22 LEU 11 1HD2 LEU 11 21.036 8.721 -3.784
102 HD23 LEU 11 2HD2 LEU 11 19.613 8.381 -4.770
103 H PHE 12 H PHE 12 15.894 5.262 -2.692
104 HA PHE 12 HA PHE 12 17.231 2.801 -1.801
105 HB2 PHE 12 2HB PHE 12 16.462 4.452 -0.070
106 HB3 PHE 12 3HB PHE 12 14.808 4.134 -0.581
107 HD1 PHE 12 HD1 PHE 12 13.683 2.860 0.950
108 HD2 PHE 12 HD2 PHE 12 17.770 1.981 0.150
109 HE1 PHE 12 HE1 PHE 12 13.572 0.951 2.498
110 HE2 PHE 12 HE2 PHE 12 17.665 0.070 1.696
111 HZ PHE 12 HZ PHE 12 15.564 -0.447 2.872
112 H GLY 13 H GLY 13 14.466 4.041 -3.499
113 HA2 GLY 13 2HA GLY 13 12.743 1.848 -3.391
114 HA3 GLY 13 3HA GLY 13 12.825 2.999 -4.717
115 H LYS 14 H LYS 14 15.748 2.204 -5.045
116 HA LYS 14 HA LYS 14 15.419 0.417 -7.163
117 HB2 LYS 14 2HB LYS 14 17.858 0.206 -7.149
118 HB3 LYS 14 3HB LYS 14 17.367 1.882 -6.948
119 HG2 LYS 14 2HG LYS 14 18.838 1.893 -5.269
120 HG3 LYS 14 3HG LYS 14 17.570 1.065 -4.362
121 HD2 LYS 14 2HD LYS 14 19.092 -0.544 -4.035
122 HD3 LYS 14 3HD LYS 14 18.787 -0.992 -5.715
123 HE2 LYS 14 2HE LYS 14 20.656 0.248 -6.477
124 HE3 LYS 14 3HE LYS 14 20.844 1.056 -4.921
125 HZ1 LYS 14 3HZ LYS 14 21.088 -1.496 -4.199
126 HZ2 LYS 14 1HZ LYS 14 22.400 -0.515 -4.620
127 HZ3 LYS 14 2HZ LYS 14 21.734 -1.572 -5.760
128 H GLY 15 H GLY 15 15.879 -0.144 -3.759
129 HA2 GLY 15 2HA GLY 15 16.598 -2.918 -4.049
130 HA3 GLY 15 3HA GLY 15 16.205 -2.092 -2.549
131 H GLY 16 H GLY 16 14.086 -2.066 -1.805
132 HA2 GLY 16 2HA GLY 16 12.505 -4.302 -2.470
133 HA3 GLY 16 3HA GLY 16 11.996 -2.952 -1.465
Start of MODEL 17
1 H1 VAL 1 H VAL 1 3.704 2.679 0.014
2 HA VAL 1 HA VAL 1 4.074 0.655 -1.103
3 HB VAL 1 HB VAL 1 3.934 0.576 -3.608
4 HG11 VAL 1 1HG1 VAL 1 1.887 -0.190 -3.222
5 HG12 VAL 1 2HG1 VAL 1 1.873 0.658 -1.675
6 HG13 VAL 1 3HG1 VAL 1 1.266 1.458 -3.126
7 HG21 VAL 1 3HG2 VAL 1 3.346 2.365 -4.887
8 HG22 VAL 1 1HG2 VAL 1 2.406 3.117 -3.599
9 HG23 VAL 1 2HG2 VAL 1 4.167 3.228 -3.586
10 H ALA 2 H ALA 2 6.008 -0.187 -1.871
11 HA ALA 2 HA ALA 2 8.273 1.497 -1.683
12 HB1 ALA 2 1HB ALA 2 9.301 -0.444 -1.374
13 HB2 ALA 2 2HB ALA 2 7.777 -1.269 -1.701
14 HB3 ALA 2 3HB ALA 2 8.910 -0.956 -3.016
15 H ARG 3 H ARG 3 6.285 0.502 -4.337
16 HA ARG 3 HA ARG 3 8.241 1.268 -6.340
17 HB2 ARG 3 2HB ARG 3 5.351 0.439 -6.668
18 HB3 ARG 3 3HB ARG 3 6.527 0.623 -7.963
19 HG2 ARG 3 2HG ARG 3 7.017 -1.522 -7.729
20 HG3 ARG 3 3HG ARG 3 7.702 -1.141 -6.148
21 HD2 ARG 3 2HD ARG 3 5.178 -1.280 -5.403
22 HD3 ARG 3 3HD ARG 3 5.041 -2.278 -6.849
23 HE ARG 3 HE ARG 3 7.224 -3.202 -5.387
24 HH11 ARG 3 1HH1 ARG 3 3.766 -2.960 -5.062
25 HH12 ARG 3 2HH1 ARG 3 3.633 -4.356 -4.045
26 HH21 ARG 3 2HH2 ARG 3 5.508 -5.540 -3.469
27 HH22 ARG 3 1HH2 ARG 3 7.061 -5.042 -4.049
28 H GLY 4 H GLY 4 6.510 3.028 -4.310
29 HA2 GLY 4 2HA GLY 4 5.676 5.021 -6.319
30 HA3 GLY 4 3HA GLY 4 5.036 4.914 -4.686
31 H TRP 5 H TRP 5 8.423 4.487 -5.042
32 HA TRP 5 HA TRP 5 8.854 7.225 -4.040
33 HB2 TRP 5 2HB TRP 5 10.626 4.845 -3.475
34 HB3 TRP 5 3HB TRP 5 10.657 6.423 -2.692
35 HD1 TRP 5 HD1 TRP 5 9.867 3.180 -1.685
36 HE1 TRP 5 HE1 TRP 5 7.941 3.059 0.018
37 HE3 TRP 5 HE3 TRP 5 7.841 7.815 -2.421
38 HZ2 TRP 5 HZ2 TRP 5 5.840 4.710 0.929
39 HZ3 TRP 5 HZ3 TRP 5 5.874 8.467 -1.094
40 HH2 TRP 5 HH2 TRP 5 4.895 6.945 0.545
41 H LYS 6 H LYS 6 9.759 4.820 -6.351
42 HA LYS 6 HA LYS 6 12.243 5.847 -7.176
43 HB2 LYS 6 2HB LYS 6 11.847 4.591 -9.262
44 HB3 LYS 6 3HB LYS 6 11.504 3.627 -7.832
45 HG2 LYS 6 2HG LYS 6 9.679 3.099 -9.065
46 HG3 LYS 6 3HG LYS 6 9.055 4.540 -8.258
47 HD2 LYS 6 2HD LYS 6 8.886 5.659 -10.186
48 HD3 LYS 6 3HD LYS 6 10.505 5.174 -10.697
49 HE2 LYS 6 2HE LYS 6 8.378 3.110 -10.763
50 HE3 LYS 6 3HE LYS 6 8.295 4.392 -11.969
51 HZ1 LYS 6 3HZ LYS 6 10.022 2.145 -11.867
52 HZ2 LYS 6 1HZ LYS 6 10.924 3.575 -11.926
53 HZ3 LYS 6 2HZ LYS 6 9.778 3.247 -13.126
54 H ARG 7 H ARG 7 9.057 7.017 -7.602
55 HA ARG 7 HA ARG 7 9.138 8.339 -10.022
56 HB2 ARG 7 2HB ARG 7 7.829 9.050 -7.406
57 HB3 ARG 7 3HB ARG 7 7.637 10.057 -8.835
58 HG2 ARG 7 2HG ARG 7 7.049 7.137 -8.998
59 HG3 ARG 7 3HG ARG 7 5.873 8.236 -8.274
60 HD2 ARG 7 2HD ARG 7 6.364 9.621 -10.476
61 HD3 ARG 7 3HD ARG 7 6.810 8.028 -11.087
62 HE ARG 7 HE ARG 7 4.171 8.984 -10.532
63 HH11 ARG 7 1HH1 ARG 7 6.176 6.142 -10.684
64 HH12 ARG 7 2HH1 ARG 7 4.853 5.065 -10.982
65 HH21 ARG 7 2HH2 ARG 7 2.717 5.881 -11.119
66 HH22 ARG 7 1HH2 ARG 7 2.420 7.575 -10.924
67 H LYS 8 H LYS 8 9.574 10.126 -6.981
68 HA LYS 8 HA LYS 8 11.395 11.942 -8.377
69 HB2 LYS 8 2HB LYS 8 11.020 13.474 -6.532
70 HB3 LYS 8 3HB LYS 8 9.477 12.908 -7.156
71 HG2 LYS 8 2HG LYS 8 10.054 11.099 -5.160
72 HG3 LYS 8 3HG LYS 8 10.630 12.635 -4.507
73 HD2 LYS 8 2HD LYS 8 8.486 13.646 -4.799
74 HD3 LYS 8 3HD LYS 8 7.894 12.258 -5.716
75 HE2 LYS 8 2HE LYS 8 8.136 10.857 -3.710
76 HE3 LYS 8 3HE LYS 8 8.683 12.266 -2.803
77 HZ1 LYS 8 3HZ LYS 8 5.996 11.632 -3.802
78 HZ2 LYS 8 1HZ LYS 8 6.441 13.254 -3.627
79 HZ3 LYS 8 2HZ LYS 8 6.468 12.221 -2.288
80 H CYS 9 H CYS 9 11.342 9.503 -5.929
81 HA CYS 9 HA CYS 9 14.145 10.110 -5.256
82 HB2 CYS 9 2HB CYS 9 12.405 10.153 -3.392
83 HB3 CYS 9 3HB CYS 9 12.274 8.412 -3.608
84 HG CYS 9 HG CYS 9 14.317 7.762 -2.190
85 HA PRO 10 HA PRO 10 14.136 6.180 -7.724
86 HB2 PRO 10 2HB PRO 10 16.293 6.849 -9.231
87 HB3 PRO 10 3HB PRO 10 14.642 7.312 -9.659
88 HG2 PRO 10 2HG PRO 10 16.773 8.926 -8.312
89 HG3 PRO 10 3HG PRO 10 15.647 9.408 -9.594
90 HD2 PRO 10 2HD PRO 10 15.257 10.054 -6.994
91 HD3 PRO 10 3HD PRO 10 13.913 9.754 -8.115
92 H LEU 11 H LEU 11 16.319 7.871 -5.688
93 HA LEU 11 HA LEU 11 18.596 6.313 -5.698
94 HB2 LEU 11 2HB LEU 11 17.853 8.423 -4.290
95 HB3 LEU 11 3HB LEU 11 17.501 7.195 -3.076
96 HG LEU 11 HG LEU 11 19.667 8.056 -2.616
97 HD11 LEU 11 1HD1 LEU 11 20.123 5.461 -4.069
98 HD12 LEU 11 2HD1 LEU 11 19.323 5.574 -2.502
99 HD13 LEU 11 3HD1 LEU 11 20.999 6.092 -2.674
100 HD21 LEU 11 3HD2 LEU 11 21.208 8.668 -4.138
101 HD22 LEU 11 1HD2 LEU 11 19.835 8.662 -5.245
102 HD23 LEU 11 2HD2 LEU 11 20.908 7.264 -5.163
103 H PHE 12 H PHE 12 15.607 5.799 -3.849
104 HA PHE 12 HA PHE 12 16.587 3.184 -2.986
105 HB2 PHE 12 2HB PHE 12 15.044 5.130 -1.729
106 HB3 PHE 12 3HB PHE 12 13.889 3.865 -2.136
107 HD1 PHE 12 HD1 PHE 12 15.104 1.396 -1.722
108 HD2 PHE 12 HD2 PHE 12 15.767 5.006 0.434
109 HE1 PHE 12 HE1 PHE 12 15.845 0.091 0.229
110 HE2 PHE 12 HE2 PHE 12 16.509 3.707 2.387
111 HZ PHE 12 HZ PHE 12 16.550 1.247 2.286
112 H GLY 13 H GLY 13 15.903 3.660 -5.769
113 HA2 GLY 13 2HA GLY 13 13.394 2.203 -6.132
114 HA3 GLY 13 3HA GLY 13 14.335 2.980 -7.397
115 H LYS 14 H LYS 14 15.740 0.838 -5.012
116 HA LYS 14 HA LYS 14 16.996 -0.770 -6.954
117 HB2 LYS 14 2HB LYS 14 16.480 -1.264 -4.017
118 HB3 LYS 14 3HB LYS 14 17.504 -2.282 -5.021
119 HG2 LYS 14 2HG LYS 14 19.106 -0.594 -5.295
120 HG3 LYS 14 3HG LYS 14 18.003 0.661 -4.725
121 HD2 LYS 14 2HD LYS 14 19.148 0.406 -2.794
122 HD3 LYS 14 3HD LYS 14 18.046 -0.954 -2.566
123 HE2 LYS 14 2HE LYS 14 20.041 -2.070 -4.067
124 HE3 LYS 14 3HE LYS 14 20.931 -0.924 -3.065
125 HZ1 LYS 14 3HZ LYS 14 20.835 -2.432 -1.462
126 HZ2 LYS 14 1HZ LYS 14 19.774 -3.414 -2.342
127 HZ3 LYS 14 2HZ LYS 14 19.166 -2.174 -1.366
128 H GLY 15 H GLY 15 13.925 -1.023 -5.306
129 HA2 GLY 15 2HA GLY 15 13.454 -3.611 -6.649
130 HA3 GLY 15 3HA GLY 15 12.646 -3.095 -5.176
131 H GLY 16 H GLY 16 13.200 -1.357 -8.229
132 HA2 GLY 16 2HA GLY 16 10.417 -0.546 -8.259
133 HA3 GLY 16 3HA GLY 16 11.670 -0.027 -9.376
Start of MODEL 18
1 H1 VAL 1 H VAL 1 3.682 0.993 -2.998
2 HA VAL 1 HA VAL 1 3.964 3.229 -2.143
3 HB VAL 1 HB VAL 1 5.131 3.501 0.060
4 HG11 VAL 1 1HG1 VAL 1 2.863 2.154 1.087
5 HG12 VAL 1 2HG1 VAL 1 3.062 3.879 0.769
6 HG13 VAL 1 3HG1 VAL 1 2.422 2.818 -0.486
7 HG21 VAL 1 3HG2 VAL 1 6.192 1.366 0.287
8 HG22 VAL 1 1HG2 VAL 1 5.031 1.541 1.603
9 HG23 VAL 1 2HG2 VAL 1 4.641 0.530 0.212
10 H ALA 2 H ALA 2 6.161 0.510 -1.968
11 HA ALA 2 HA ALA 2 8.584 1.951 -2.152
12 HB1 ALA 2 1HB ALA 2 9.494 -0.067 -1.951
13 HB2 ALA 2 2HB ALA 2 7.855 -0.716 -1.888
14 HB3 ALA 2 3HB ALA 2 8.714 -0.639 -3.426
15 H ARG 3 H ARG 3 6.188 1.070 -4.489
16 HA ARG 3 HA ARG 3 7.941 1.549 -6.753
17 HB2 ARG 3 2HB ARG 3 4.966 1.011 -6.679
18 HB3 ARG 3 3HB ARG 3 5.976 1.031 -8.119
19 HG2 ARG 3 2HG ARG 3 6.294 -1.141 -7.848
20 HG3 ARG 3 3HG ARG 3 7.197 -0.780 -6.375
21 HD2 ARG 3 2HD ARG 3 4.874 -0.689 -5.251
22 HD3 ARG 3 3HD ARG 3 4.317 -1.546 -6.688
23 HE ARG 3 HE ARG 3 6.484 -2.970 -5.799
24 HH11 ARG 3 1HH1 ARG 3 3.432 -1.971 -4.456
25 HH12 ARG 3 2HH1 ARG 3 3.297 -3.342 -3.405
26 HH21 ARG 3 2HH2 ARG 3 4.941 -4.938 -3.386
27 HH22 ARG 3 1HH2 ARG 3 6.319 -4.779 -4.421
28 H GLY 4 H GLY 4 6.666 3.558 -4.620
29 HA2 GLY 4 2HA GLY 4 5.782 5.548 -6.610
30 HA3 GLY 4 3HA GLY 4 5.353 5.573 -4.906
31 H TRP 5 H TRP 5 8.605 4.775 -5.655
32 HA TRP 5 HA TRP 5 9.434 7.490 -4.862
33 HB2 TRP 5 2HB TRP 5 11.028 4.967 -4.407
34 HB3 TRP 5 3HB TRP 5 11.302 6.560 -3.707
35 HD1 TRP 5 HD1 TRP 5 10.363 3.450 -2.453
36 HE1 TRP 5 HE1 TRP 5 8.661 3.571 -0.527
37 HE3 TRP 5 HE3 TRP 5 8.667 8.219 -3.169
38 HZ2 TRP 5 HZ2 TRP 5 6.839 5.442 0.547
39 HZ3 TRP 5 HZ3 TRP 5 6.944 9.099 -1.649
40 HH2 TRP 5 HH2 TRP 5 6.050 7.737 0.170
41 H LYS 6 H LYS 6 9.549 5.125 -7.284
42 HA LYS 6 HA LYS 6 12.050 5.515 -8.448
43 HB2 LYS 6 2HB LYS 6 10.972 4.763 -10.558
44 HB3 LYS 6 3HB LYS 6 10.607 3.726 -9.185
45 HG2 LYS 6 2HG LYS 6 8.509 3.895 -9.965
46 HG3 LYS 6 3HG LYS 6 8.515 5.410 -9.060
47 HD2 LYS 6 2HD LYS 6 7.713 6.051 -11.144
48 HD3 LYS 6 3HD LYS 6 9.431 6.441 -11.248
49 HE2 LYS 6 2HE LYS 6 9.841 4.825 -12.781
50 HE3 LYS 6 3HE LYS 6 8.656 3.718 -12.088
51 HZ1 LYS 6 3HZ LYS 6 6.943 4.678 -13.265
52 HZ2 LYS 6 1HZ LYS 6 8.210 4.777 -14.381
53 HZ3 LYS 6 2HZ LYS 6 7.756 6.144 -13.494
54 H ARG 7 H ARG 7 9.317 7.600 -8.305
55 HA ARG 7 HA ARG 7 10.446 9.338 -10.388
56 HB2 ARG 7 2HB ARG 7 7.705 8.949 -9.277
57 HB3 ARG 7 3HB ARG 7 8.135 10.543 -9.884
58 HG2 ARG 7 2HG ARG 7 8.118 9.877 -12.032
59 HG3 ARG 7 3HG ARG 7 8.796 8.291 -11.657
60 HD2 ARG 7 2HD ARG 7 6.572 7.653 -10.713
61 HD3 ARG 7 3HD ARG 7 5.939 9.184 -11.315
62 HE ARG 7 HE ARG 7 7.104 7.980 -13.487
63 HH11 ARG 7 1HH1 ARG 7 4.599 7.159 -11.214
64 HH12 ARG 7 2HH1 ARG 7 3.713 6.187 -12.342
65 HH21 ARG 7 2HH2 ARG 7 4.481 5.928 -14.484
66 HH22 ARG 7 1HH2 ARG 7 5.947 6.703 -14.982
67 H LYS 8 H LYS 8 9.794 9.093 -6.994
68 HA LYS 8 HA LYS 8 10.501 11.908 -6.576
69 HB2 LYS 8 2HB LYS 8 9.174 9.826 -4.867
70 HB3 LYS 8 3HB LYS 8 9.898 11.251 -4.133
71 HG2 LYS 8 2HG LYS 8 7.966 12.280 -4.480
72 HG3 LYS 8 3HG LYS 8 8.356 12.263 -6.202
73 HD2 LYS 8 2HD LYS 8 7.128 10.260 -6.548
74 HD3 LYS 8 3HD LYS 8 6.968 9.980 -4.812
75 HE2 LYS 8 2HE LYS 8 5.650 12.115 -4.694
76 HE3 LYS 8 3HE LYS 8 5.665 12.143 -6.457
77 HZ1 LYS 8 3HZ LYS 8 4.170 10.432 -4.641
78 HZ2 LYS 8 1HZ LYS 8 4.776 9.685 -6.033
79 HZ3 LYS 8 2HZ LYS 8 3.748 11.021 -6.170
80 H CYS 9 H CYS 9 11.141 9.018 -4.611
81 HA CYS 9 HA CYS 9 13.960 9.858 -4.469
82 HB2 CYS 9 2HB CYS 9 12.096 8.697 -2.443
83 HB3 CYS 9 3HB CYS 9 13.810 8.317 -2.322
84 HG CYS 9 HG CYS 9 13.936 10.334 -0.674
85 HA PRO 10 HA PRO 10 13.885 5.800 -6.703
86 HB2 PRO 10 2HB PRO 10 15.760 6.514 -8.531
87 HB3 PRO 10 3HB PRO 10 14.038 6.853 -8.739
88 HG2 PRO 10 2HG PRO 10 16.224 8.663 -7.785
89 HG3 PRO 10 3HG PRO 10 14.900 9.006 -8.913
90 HD2 PRO 10 2HD PRO 10 14.835 9.768 -6.316
91 HD3 PRO 10 3HD PRO 10 13.371 9.327 -7.218
92 H LEU 11 H LEU 11 16.105 7.645 -4.928
93 HA LEU 11 HA LEU 11 18.501 6.259 -5.236
94 HB2 LEU 11 2HB LEU 11 18.174 8.383 -3.981
95 HB3 LEU 11 3HB LEU 11 17.435 7.450 -2.681
96 HG LEU 11 HG LEU 11 20.027 6.380 -3.305
97 HD11 LEU 11 1HD1 LEU 11 20.817 8.426 -4.073
98 HD12 LEU 11 2HD1 LEU 11 21.236 8.444 -2.360
99 HD13 LEU 11 3HD1 LEU 11 19.833 9.345 -2.933
100 HD21 LEU 11 3HD2 LEU 11 18.792 6.062 -1.212
101 HD22 LEU 11 1HD2 LEU 11 18.949 7.783 -0.862
102 HD23 LEU 11 2HD2 LEU 11 20.386 6.763 -0.929
103 H PHE 12 H PHE 12 15.575 5.353 -3.630
104 HA PHE 12 HA PHE 12 16.898 2.914 -2.637
105 HB2 PHE 12 2HB PHE 12 15.608 4.774 -1.092
106 HB3 PHE 12 3HB PHE 12 14.324 3.610 -1.400
107 HD1 PHE 12 HD1 PHE 12 16.259 4.453 1.098
108 HD2 PHE 12 HD2 PHE 12 15.753 1.072 -1.438
109 HE1 PHE 12 HE1 PHE 12 17.163 2.997 2.864
110 HE2 PHE 12 HE2 PHE 12 16.654 -0.389 0.324
111 HZ PHE 12 HZ PHE 12 17.360 0.573 2.478
112 H GLY 13 H GLY 13 15.595 3.544 -5.256
113 HA2 GLY 13 2HA GLY 13 13.317 1.682 -5.161
114 HA3 GLY 13 3HA GLY 13 13.643 2.828 -6.453
115 H LYS 14 H LYS 14 16.110 0.782 -5.046
116 HA LYS 14 HA LYS 14 16.709 -0.323 -7.639
117 HB2 LYS 14 2HB LYS 14 18.555 -1.475 -6.441
118 HB3 LYS 14 3HB LYS 14 18.551 0.267 -6.196
119 HG2 LYS 14 2HG LYS 14 18.740 -0.193 -4.029
120 HG3 LYS 14 3HG LYS 14 17.036 -0.647 -4.095
121 HD2 LYS 14 2HD LYS 14 17.777 -2.615 -3.289
122 HD3 LYS 14 3HD LYS 14 18.211 -2.930 -4.970
123 HE2 LYS 14 2HE LYS 14 20.464 -1.993 -4.504
124 HE3 LYS 14 3HE LYS 14 20.010 -1.841 -2.807
125 HZ1 LYS 14 3HZ LYS 14 20.508 -3.960 -2.481
126 HZ2 LYS 14 1HZ LYS 14 21.079 -4.060 -4.070
127 HZ3 LYS 14 2HZ LYS 14 19.473 -4.460 -3.722
128 H GLY 15 H GLY 15 14.998 -1.311 -4.790
129 HA2 GLY 15 2HA GLY 15 14.883 -4.089 -5.742
130 HA3 GLY 15 3HA GLY 15 14.411 -3.532 -4.143
131 H GLY 16 H GLY 16 13.513 -2.790 -7.521
132 HA2 GLY 16 2HA GLY 16 11.318 -3.466 -8.337
133 HA3 GLY 16 3HA GLY 16 10.698 -3.174 -6.719
Start of MODEL 19
1 H1 VAL 1 H VAL 1 2.044 -1.560 -1.585
2 HA VAL 1 HA VAL 1 2.579 -0.551 -3.588
3 HB VAL 1 HB VAL 1 2.303 1.927 -3.485
4 HG11 VAL 1 1HG1 VAL 1 0.350 0.567 -3.746
5 HG12 VAL 1 2HG1 VAL 1 0.297 0.224 -2.016
6 HG13 VAL 1 3HG1 VAL 1 -0.027 1.855 -2.603
7 HG21 VAL 1 3HG2 VAL 1 2.440 3.107 -1.586
8 HG22 VAL 1 1HG2 VAL 1 1.504 1.920 -0.676
9 HG23 VAL 1 2HG2 VAL 1 3.234 1.680 -0.920
10 H ALA 2 H ALA 2 4.133 0.552 -4.859
11 HA ALA 2 HA ALA 2 6.696 1.003 -3.473
12 HB1 ALA 2 1HB ALA 2 6.428 -0.988 -5.104
13 HB2 ALA 2 2HB ALA 2 6.532 0.244 -6.363
14 HB3 ALA 2 3HB ALA 2 7.862 0.033 -5.224
15 H ARG 3 H ARG 3 4.595 2.969 -3.977
16 HA ARG 3 HA ARG 3 5.014 4.595 -6.174
17 HB2 ARG 3 2HB ARG 3 4.165 6.451 -4.743
18 HB3 ARG 3 3HB ARG 3 3.170 5.001 -4.684
19 HG2 ARG 3 2HG ARG 3 4.547 4.424 -2.577
20 HG3 ARG 3 3HG ARG 3 4.979 6.135 -2.593
21 HD2 ARG 3 2HD ARG 3 2.659 6.770 -2.471
22 HD3 ARG 3 3HD ARG 3 2.152 5.088 -2.627
23 HE ARG 3 HE ARG 3 2.532 4.812 -0.391
24 HH11 ARG 3 1HH1 ARG 3 4.175 7.686 -1.467
25 HH12 ARG 3 2HH1 ARG 3 4.639 8.176 0.129
26 HH21 ARG 3 2HH2 ARG 3 4.048 6.901 1.938
27 HH22 ARG 3 1HH2 ARG 3 3.136 5.446 1.715
28 H GLY 4 H GLY 4 6.912 4.274 -3.251
29 HA2 GLY 4 2HA GLY 4 8.713 6.402 -4.224
30 HA3 GLY 4 3HA GLY 4 8.568 5.911 -2.543
31 H TRP 5 H TRP 5 9.093 4.153 -5.600
32 HA TRP 5 HA TRP 5 11.476 2.942 -4.358
33 HB2 TRP 5 2HB TRP 5 9.186 1.729 -5.753
34 HB3 TRP 5 3HB TRP 5 10.759 1.146 -6.291
35 HD1 TRP 5 HD1 TRP 5 10.287 2.097 -2.630
36 HE1 TRP 5 HE1 TRP 5 10.410 -0.037 -1.196
37 HE3 TRP 5 HE3 TRP 5 10.315 -1.393 -6.366
38 HZ2 TRP 5 HZ2 TRP 5 10.507 -2.829 -1.595
39 HZ3 TRP 5 HZ3 TRP 5 10.425 -3.774 -5.755
40 HH2 TRP 5 HH2 TRP 5 10.520 -4.475 -3.419
41 H LYS 6 H LYS 6 10.164 2.921 -7.663
42 HA LYS 6 HA LYS 6 12.733 4.032 -8.587
43 HB2 LYS 6 2HB LYS 6 12.062 2.848 -10.786
44 HB3 LYS 6 3HB LYS 6 12.690 1.873 -9.464
45 HG2 LYS 6 2HG LYS 6 10.829 0.725 -10.391
46 HG3 LYS 6 3HG LYS 6 10.332 1.362 -8.822
47 HD2 LYS 6 2HD LYS 6 8.859 2.829 -9.733
48 HD3 LYS 6 3HD LYS 6 9.850 3.098 -11.169
49 HE2 LYS 6 2HE LYS 6 8.735 0.391 -10.912
50 HE3 LYS 6 3HE LYS 6 7.541 1.669 -11.130
51 HZ1 LYS 6 3HZ LYS 6 9.511 2.223 -12.952
52 HZ2 LYS 6 1HZ LYS 6 7.999 1.539 -13.283
53 HZ3 LYS 6 2HZ LYS 6 9.341 0.541 -13.027
54 H ARG 7 H ARG 7 9.382 4.496 -8.405
55 HA ARG 7 HA ARG 7 8.859 5.919 -10.766
56 HB2 ARG 7 2HB ARG 7 7.613 5.854 -8.043
57 HB3 ARG 7 3HB ARG 7 7.090 7.064 -9.207
58 HG2 ARG 7 2HG ARG 7 7.075 4.096 -9.709
59 HG3 ARG 7 3HG ARG 7 5.679 5.036 -9.178
60 HD2 ARG 7 2HD ARG 7 6.954 6.225 -11.488
61 HD3 ARG 7 3HD ARG 7 6.477 4.557 -11.799
62 HE ARG 7 HE ARG 7 4.284 5.671 -10.630
63 HH11 ARG 7 1HH1 ARG 7 6.255 6.464 -13.387
64 HH12 ARG 7 2HH1 ARG 7 4.957 7.199 -14.268
65 HH21 ARG 7 2HH2 ARG 7 2.860 7.298 -13.351
66 HH22 ARG 7 1HH2 ARG 7 2.567 6.637 -11.779
67 H LYS 8 H LYS 8 9.024 7.462 -7.569
68 HA LYS 8 HA LYS 8 10.530 9.670 -8.813
69 HB2 LYS 8 2HB LYS 8 9.412 11.116 -7.048
70 HB3 LYS 8 3HB LYS 8 8.379 10.536 -8.348
71 HG2 LYS 8 2HG LYS 8 8.477 8.797 -5.988
72 HG3 LYS 8 3HG LYS 8 7.773 10.393 -5.714
73 HD2 LYS 8 2HD LYS 8 6.762 9.360 -8.170
74 HD3 LYS 8 3HD LYS 8 6.579 8.125 -6.922
75 HE2 LYS 8 2HE LYS 8 5.811 10.932 -6.287
76 HE3 LYS 8 3HE LYS 8 4.739 9.973 -7.306
77 HZ1 LYS 8 3HZ LYS 8 3.937 9.075 -5.464
78 HZ2 LYS 8 1HZ LYS 8 5.079 9.871 -4.503
79 HZ3 LYS 8 2HZ LYS 8 5.442 8.360 -5.170
80 H CYS 9 H CYS 9 11.355 7.206 -7.261
81 HA CYS 9 HA CYS 9 12.848 8.601 -5.138
82 HB2 CYS 9 2HB CYS 9 11.389 6.032 -5.133
83 HB3 CYS 9 3HB CYS 9 12.971 6.001 -4.363
84 HG CYS 9 HG CYS 9 12.012 8.514 -2.940
85 HA PRO 10 HA PRO 10 15.849 7.006 -8.299
86 HB2 PRO 10 2HB PRO 10 17.353 9.266 -8.350
87 HB3 PRO 10 3HB PRO 10 15.920 9.042 -9.361
88 HG2 PRO 10 2HG PRO 10 16.202 10.528 -6.778
89 HG3 PRO 10 3HG PRO 10 15.330 10.997 -8.249
90 HD2 PRO 10 2HD PRO 10 14.080 9.963 -6.080
91 HD3 PRO 10 3HD PRO 10 13.507 9.683 -7.737
92 H LEU 11 H LEU 11 15.954 8.171 -5.086
93 HA LEU 11 HA LEU 11 18.768 7.461 -4.736
94 HB2 LEU 11 2HB LEU 11 17.863 9.559 -3.759
95 HB3 LEU 11 3HB LEU 11 16.819 8.583 -2.728
96 HG LEU 11 HG LEU 11 19.050 7.537 -1.900
97 HD11 LEU 11 1HD1 LEU 11 19.990 10.119 -3.132
98 HD12 LEU 11 2HD1 LEU 11 20.549 8.488 -3.499
99 HD13 LEU 11 3HD1 LEU 11 20.898 9.206 -1.927
100 HD21 LEU 11 3HD2 LEU 11 18.567 8.687 -0.060
101 HD22 LEU 11 1HD2 LEU 11 17.406 9.608 -1.016
102 HD23 LEU 11 2HD2 LEU 11 19.052 10.207 -0.812
103 H PHE 12 H PHE 12 15.576 6.286 -4.093
104 HA PHE 12 HA PHE 12 16.701 4.077 -2.503
105 HB2 PHE 12 2HB PHE 12 14.458 5.743 -2.029
106 HB3 PHE 12 3HB PHE 12 13.836 4.138 -2.399
107 HD1 PHE 12 HD1 PHE 12 14.939 6.221 0.157
108 HD2 PHE 12 HD2 PHE 12 15.153 2.180 -1.164
109 HE1 PHE 12 HE1 PHE 12 15.451 5.501 2.453
110 HE2 PHE 12 HE2 PHE 12 15.665 1.453 1.130
111 HZ PHE 12 HZ PHE 12 15.813 3.114 2.943
112 H GLY 13 H GLY 13 16.596 4.377 -5.464
113 HA2 GLY 13 2HA GLY 13 14.691 2.277 -6.208
114 HA3 GLY 13 3HA GLY 13 15.584 3.304 -7.321
115 H LYS 14 H LYS 14 17.105 1.670 -4.630
116 HA LYS 14 HA LYS 14 19.158 0.562 -6.141
117 HB2 LYS 14 2HB LYS 14 18.038 -0.345 -3.484
118 HB3 LYS 14 3HB LYS 14 19.561 -0.904 -4.163
119 HG2 LYS 14 2HG LYS 14 20.569 1.196 -3.924
120 HG3 LYS 14 3HG LYS 14 19.019 2.007 -3.687
121 HD2 LYS 14 2HD LYS 14 18.939 1.486 -1.492
122 HD3 LYS 14 3HD LYS 14 19.645 -0.112 -1.741
123 HE2 LYS 14 2HE LYS 14 21.857 0.948 -2.025
124 HE3 LYS 14 3HE LYS 14 21.126 2.516 -1.688
125 HZ1 LYS 14 3HZ LYS 14 21.140 2.119 0.490
126 HZ2 LYS 14 1HZ LYS 14 22.197 0.840 0.157
127 HZ3 LYS 14 2HZ LYS 14 20.539 0.547 0.315
128 H GLY 15 H GLY 15 15.939 -0.602 -5.537
129 HA2 GLY 15 2HA GLY 15 16.486 -3.307 -6.371
130 HA3 GLY 15 3HA GLY 15 14.904 -2.610 -6.054
131 H GLY 16 H GLY 16 13.827 -1.467 -7.723
132 HA2 GLY 16 2HA GLY 16 14.404 -2.524 -10.344
133 HA3 GLY 16 3HA GLY 16 13.043 -1.501 -9.904
Start of MODEL 20
1 H1 VAL 1 H VAL 1 0.666 -0.043 -2.187
2 HA VAL 1 HA VAL 1 0.747 2.180 -1.611
3 HB VAL 1 HB VAL 1 2.153 2.582 0.453
4 HG11 VAL 1 1HG1 VAL 1 0.550 0.117 0.901
5 HG12 VAL 1 2HG1 VAL 1 0.558 1.639 1.794
6 HG13 VAL 1 3HG1 VAL 1 -0.257 1.535 0.233
7 HG21 VAL 1 3HG2 VAL 1 3.507 0.327 -0.446
8 HG22 VAL 1 1HG2 VAL 1 3.710 1.132 1.110
9 HG23 VAL 1 2HG2 VAL 1 2.600 -0.231 0.959
10 H ALA 2 H ALA 2 3.819 0.722 -2.374
11 HA ALA 2 HA ALA 2 4.849 3.378 -3.136
12 HB1 ALA 2 1HB ALA 2 6.580 1.029 -2.412
13 HB2 ALA 2 2HB ALA 2 7.044 2.723 -2.575
14 HB3 ALA 2 3HB ALA 2 6.032 2.212 -1.224
15 H ARG 3 H ARG 3 3.632 2.849 -5.156
16 HA ARG 3 HA ARG 3 4.579 0.745 -6.843
17 HB2 ARG 3 2HB ARG 3 2.584 2.897 -6.998
18 HB3 ARG 3 3HB ARG 3 3.338 2.501 -8.537
19 HG2 ARG 3 2HG ARG 3 1.442 1.149 -8.444
20 HG3 ARG 3 3HG ARG 3 2.768 0.075 -7.996
21 HD2 ARG 3 2HD ARG 3 1.736 1.370 -5.657
22 HD3 ARG 3 3HD ARG 3 0.414 0.622 -6.553
23 HE ARG 3 HE ARG 3 2.682 -1.104 -6.214
24 HH11 ARG 3 1HH1 ARG 3 -0.253 0.070 -4.756
25 HH12 ARG 3 2HH1 ARG 3 -0.459 -1.319 -3.741
26 HH21 ARG 3 2HH2 ARG 3 1.064 -3.029 -3.813
27 HH22 ARG 3 1HH2 ARG 3 2.423 -2.938 -4.882
28 H GLY 4 H GLY 4 4.563 4.217 -7.620
29 HA2 GLY 4 2HA GLY 4 7.119 3.828 -9.014
30 HA3 GLY 4 3HA GLY 4 5.998 5.156 -9.276
31 H TRP 5 H TRP 5 7.050 4.041 -6.117
32 HA TRP 5 HA TRP 5 7.619 6.538 -5.093
33 HB2 TRP 5 2HB TRP 5 8.491 5.456 -3.234
34 HB3 TRP 5 3HB TRP 5 7.484 4.196 -3.942
35 HD1 TRP 5 HD1 TRP 5 11.017 4.941 -2.947
36 HE1 TRP 5 HE1 TRP 5 12.526 2.937 -3.526
37 HE3 TRP 5 HE3 TRP 5 7.748 2.267 -5.828
38 HZ2 TRP 5 HZ2 TRP 5 12.354 0.541 -5.008
39 HZ3 TRP 5 HZ3 TRP 5 8.498 0.130 -6.789
40 HH2 TRP 5 HH2 TRP 5 10.754 -0.713 -6.387
41 H LYS 6 H LYS 6 9.603 4.478 -7.083
42 HA LYS 6 HA LYS 6 12.131 5.515 -6.621
43 HB2 LYS 6 2HB LYS 6 12.665 4.802 -8.928
44 HB3 LYS 6 3HB LYS 6 11.789 3.572 -8.028
45 HG2 LYS 6 2HG LYS 6 9.763 4.942 -9.246
46 HG3 LYS 6 3HG LYS 6 11.047 5.010 -10.455
47 HD2 LYS 6 2HD LYS 6 10.474 2.410 -9.115
48 HD3 LYS 6 3HD LYS 6 9.366 2.984 -10.364
49 HE2 LYS 6 2HE LYS 6 11.827 3.401 -11.503
50 HE3 LYS 6 3HE LYS 6 12.072 1.908 -10.598
51 HZ1 LYS 6 3HZ LYS 6 9.843 1.242 -11.716
52 HZ2 LYS 6 1HZ LYS 6 11.287 1.129 -12.591
53 HZ3 LYS 6 2HZ LYS 6 10.248 2.440 -12.840
54 H ARG 7 H ARG 7 9.443 6.887 -8.362
55 HA ARG 7 HA ARG 7 10.703 8.788 -9.934
56 HB2 ARG 7 2HB ARG 7 8.046 8.755 -8.532
57 HB3 ARG 7 3HB ARG 7 8.555 10.157 -9.464
58 HG2 ARG 7 2HG ARG 7 8.510 8.995 -11.474
59 HG3 ARG 7 3HG ARG 7 8.583 7.423 -10.676
60 HD2 ARG 7 2HD ARG 7 6.365 7.298 -10.601
61 HD3 ARG 7 3HD ARG 7 6.261 8.867 -9.804
62 HE ARG 7 HE ARG 7 5.721 9.819 -11.818
63 HH11 ARG 7 1HH1 ARG 7 6.992 6.623 -12.359
64 HH12 ARG 7 2HH1 ARG 7 6.587 6.606 -14.043
65 HH21 ARG 7 2HH2 ARG 7 5.560 8.419 -14.996
66 HH22 ARG 7 1HH2 ARG 7 5.184 9.808 -14.034
67 H LYS 8 H LYS 8 10.113 8.770 -6.489
68 HA LYS 8 HA LYS 8 11.316 11.447 -6.273
69 HB2 LYS 8 2HB LYS 8 9.602 9.905 -4.318
70 HB3 LYS 8 3HB LYS 8 10.356 11.455 -3.967
71 HG2 LYS 8 2HG LYS 8 8.702 12.557 -4.945
72 HG3 LYS 8 3HG LYS 8 8.853 11.594 -6.417
73 HD2 LYS 8 2HD LYS 8 6.721 11.040 -5.784
74 HD3 LYS 8 3HD LYS 8 7.631 9.777 -4.953
75 HE2 LYS 8 2HE LYS 8 7.687 11.670 -3.061
76 HE3 LYS 8 3HE LYS 8 6.180 12.115 -3.861
77 HZ1 LYS 8 3HZ LYS 8 5.155 10.238 -3.177
78 HZ2 LYS 8 1HZ LYS 8 6.294 10.326 -1.929
79 HZ3 LYS 8 2HZ LYS 8 6.556 9.293 -3.242
80 H CYS 9 H CYS 9 11.630 8.102 -5.363
81 HA CYS 9 HA CYS 9 14.113 8.754 -3.917
82 HB2 CYS 9 2HB CYS 9 11.976 6.752 -3.414
83 HB3 CYS 9 3HB CYS 9 13.629 6.246 -3.089
84 HG CYS 9 HG CYS 9 11.878 8.758 -1.587
85 HA PRO 10 HA PRO 10 15.257 6.498 -7.815
86 HB2 PRO 10 2HB PRO 10 17.310 8.155 -8.452
87 HB3 PRO 10 3HB PRO 10 15.639 8.466 -8.937
88 HG2 PRO 10 2HG PRO 10 17.194 9.618 -6.653
89 HG3 PRO 10 3HG PRO 10 16.100 10.433 -7.785
90 HD2 PRO 10 2HD PRO 10 15.343 9.721 -5.285
91 HD3 PRO 10 3HD PRO 10 14.214 9.743 -6.654
92 H LEU 11 H LEU 11 16.933 7.575 -4.969
93 HA LEU 11 HA LEU 11 19.314 6.033 -5.466
94 HB2 LEU 11 2HB LEU 11 18.326 7.380 -2.957
95 HB3 LEU 11 3HB LEU 11 19.925 6.671 -3.170
96 HG LEU 11 HG LEU 11 19.288 8.676 -5.191
97 HD11 LEU 11 1HD1 LEU 11 19.791 10.496 -3.374
98 HD12 LEU 11 2HD1 LEU 11 19.022 9.331 -2.297
99 HD13 LEU 11 3HD1 LEU 11 18.138 9.965 -3.685
100 HD21 LEU 11 3HD2 LEU 11 21.531 8.028 -3.315
101 HD22 LEU 11 1HD2 LEU 11 21.514 9.544 -4.215
102 HD23 LEU 11 2HD2 LEU 11 21.508 8.007 -5.079
103 H PHE 12 H PHE 12 16.275 5.587 -3.820
104 HA PHE 12 HA PHE 12 17.183 2.947 -2.885
105 HB2 PHE 12 2HB PHE 12 15.920 4.985 -1.465
106 HB3 PHE 12 3HB PHE 12 14.636 3.826 -1.792
107 HD1 PHE 12 HD1 PHE 12 15.423 1.285 -1.397
108 HD2 PHE 12 HD2 PHE 12 17.066 4.725 0.495
109 HE1 PHE 12 HE1 PHE 12 16.218 -0.120 0.459
110 HE2 PHE 12 HE2 PHE 12 17.864 3.326 2.354
111 HZ PHE 12 HZ PHE 12 17.441 0.899 2.338
112 H GLY 13 H GLY 13 16.299 3.577 -5.590
113 HA2 GLY 13 2HA GLY 13 13.616 2.572 -5.876
114 HA3 GLY 13 3HA GLY 13 14.744 2.924 -7.177
115 H LYS 14 H LYS 14 16.756 1.169 -5.693
116 HA LYS 14 HA LYS 14 15.971 -1.289 -7.017
117 HB2 LYS 14 2HB LYS 14 18.234 -2.041 -6.550
118 HB3 LYS 14 3HB LYS 14 18.271 -0.424 -7.241
119 HG2 LYS 14 2HG LYS 14 18.477 0.468 -4.910
120 HG3 LYS 14 3HG LYS 14 18.676 -1.198 -4.363
121 HD2 LYS 14 2HD LYS 14 20.628 -1.430 -5.841
122 HD3 LYS 14 3HD LYS 14 20.437 0.252 -6.341
123 HE2 LYS 14 2HE LYS 14 20.556 0.722 -3.775
124 HE3 LYS 14 3HE LYS 14 21.324 -0.863 -3.714
125 HZ1 LYS 14 3HZ LYS 14 22.262 1.254 -5.554
126 HZ2 LYS 14 1HZ LYS 14 23.083 -0.135 -5.045
127 HZ3 LYS 14 2HZ LYS 14 22.829 1.141 -3.964
128 H GLY 15 H GLY 15 16.197 -0.010 -3.792
129 HA2 GLY 15 2HA GLY 15 16.197 -2.504 -2.414
130 HA3 GLY 15 3HA GLY 15 15.794 -0.939 -1.725
131 H GLY 16 H GLY 16 13.689 -0.399 -1.408
132 HA2 GLY 16 2HA GLY 16 11.360 -0.534 -1.755
133 HA3 GLY 16 3HA GLY 16 11.603 -2.029 -2.646