NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
8023 |
1lcx   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 HT1 GLU 1 3.726 10.187 3.779
2 2H GLU 1 HT2 GLU 1 4.806 9.750 2.518
3 3H GLU 1 HT3 GLU 1 5.386 9.931 4.123
4 HA GLU 1 HA GLU 1 3.887 8.117 4.780
5 1HB GLU 1 HB2 GLU 1 3.088 8.514 2.056
6 2HB GLU 1 HB1 GLU 1 3.694 6.873 2.234
7 1HG GLU 1 HG2 GLU 1 1.669 6.344 2.962
8 2HG GLU 1 HG1 GLU 1 2.087 7.198 4.446
9 H LEU 2 HN LEU 2 5.468 6.955 5.656
10 HA LEU 2 HA LEU 2 7.729 6.134 3.963
11 1HB LEU 2 HB2 LEU 2 7.490 6.467 6.950
12 2HB LEU 2 HB1 LEU 2 8.869 5.706 6.179
13 HG LEU 2 HG LEU 2 8.973 7.960 4.826
14 1HD1 LEU 2 HD11 LEU 2 7.037 9.055 5.567
15 2HD1 LEU 2 HD12 LEU 2 8.360 9.838 6.431
16 3HD1 LEU 2 HD13 LEU 2 7.349 8.650 7.254
17 1HD2 LEU 2 HD21 LEU 2 10.764 8.487 6.111
18 2HD2 LEU 2 HD22 LEU 2 10.453 6.882 6.771
19 3HD2 LEU 2 HD23 LEU 2 9.872 8.313 7.622
20 H LEU 3 HN LEU 3 5.094 4.807 4.112
21 HA LEU 3 HA LEU 3 5.615 2.330 5.532
22 1HB LEU 3 HB2 LEU 3 3.306 3.084 3.738
23 2HB LEU 3 HB1 LEU 3 3.393 1.664 4.763
24 HG LEU 3 HG LEU 3 3.628 4.372 6.006
25 1HD1 LEU 3 HD11 LEU 3 1.060 4.079 6.340
26 2HD1 LEU 3 HD12 LEU 3 1.169 3.141 4.851
27 3HD1 LEU 3 HD13 LEU 3 1.681 4.828 4.869
28 1HD2 LEU 3 HD21 LEU 3 3.188 3.291 7.942
29 2HD2 LEU 3 HD22 LEU 3 3.816 1.909 7.045
30 3HD2 LEU 3 HD23 LEU 3 2.075 2.153 7.183
31 H GLU 4 HN GLU 4 6.437 0.537 4.661
32 HA GLU 4 HA GLU 4 7.254 0.573 1.887
33 1HB GLU 4 HB2 GLU 4 7.815 -1.155 4.255
34 2HB GLU 4 HB1 GLU 4 8.087 -1.821 2.650
35 1HG GLU 4 HG2 GLU 4 9.270 0.703 2.605
36 2HG GLU 4 HG1 GLU 4 9.692 0.015 4.173
37 H LEU 5 HN LEU 5 4.761 -0.867 3.822
38 HA LEU 5 HA LEU 5 4.051 -2.807 1.796
39 1HB LEU 5 HB2 LEU 5 2.184 -3.358 3.351
40 2HB LEU 5 HB1 LEU 5 3.790 -3.551 4.030
41 HG LEU 5 HG LEU 5 2.959 -0.916 4.594
42 1HD1 LEU 5 HD11 LEU 5 0.810 -2.955 4.882
43 2HD1 LEU 5 HD12 LEU 5 0.697 -1.249 4.449
44 3HD1 LEU 5 HD13 LEU 5 0.983 -1.716 6.126
45 1HD2 LEU 5 HD21 LEU 5 4.487 -2.048 5.999
46 2HD2 LEU 5 HD22 LEU 5 3.369 -3.388 6.256
47 3HD2 LEU 5 HD23 LEU 5 3.026 -1.807 6.958
48 H ASP 6 HN ASP 6 3.831 0.249 1.476
49 HA ASP 6 HA ASP 6 1.047 0.791 1.233
50 1HB ASP 6 HB2 ASP 6 1.753 2.858 0.121
51 2HB ASP 6 HB1 ASP 6 2.686 2.582 1.589
52 H LYS 7 HN LYS 7 3.118 -1.071 -0.623
53 HA LYS 7 HA LYS 7 2.216 -0.480 -3.229
54 1HB LYS 7 HB2 LYS 7 4.279 -1.839 -2.454
55 2HB LYS 7 HB1 LYS 7 3.164 -3.198 -2.383
56 1HG LYS 7 HG2 LYS 7 2.779 -3.154 -4.682
57 2HG LYS 7 HG1 LYS 7 3.439 -1.527 -4.849
58 1HD LYS 7 HD2 LYS 7 5.652 -2.551 -4.056
59 2HD LYS 7 HD1 LYS 7 4.903 -4.111 -4.402
60 1HE LYS 7 HE2 LYS 7 5.166 -3.860 -6.607
61 2HE LYS 7 HE1 LYS 7 4.574 -2.200 -6.571
62 1HZ LYS 7 HZ1 LYS 7 6.649 -1.370 -6.433
63 2HZ LYS 7 HZ2 LYS 7 7.081 -2.842 -7.146
64 3HZ LYS 7 HZ3 LYS 7 7.230 -2.637 -5.474
65 H TRP 8 HN TRP 8 0.685 -1.986 -0.633
66 HA TRP 8 HA TRP 8 -0.987 -3.764 -2.141
67 1HB TRP 8 HB2 TRP 8 -0.672 -2.996 0.694
68 2HB TRP 8 HB1 TRP 8 -2.294 -3.489 0.220
69 HD1 TRP 8 HD1 TRP 8 1.001 -5.052 -1.066
70 HE1 TRP 8 HE1 TRP 8 0.999 -7.547 -0.436
71 HE3 TRP 8 HE3 TRP 8 -3.308 -5.192 1.682
72 HZ2 TRP 8 HZ2 TRP 8 -0.616 -9.338 1.033
73 HZ3 TRP 8 HZ3 TRP 8 -4.011 -7.335 2.665
74 HH2 TRP 8 HH2 TRP 8 -2.692 -9.364 2.346
75 H ALA 9 HN ALA 9 -0.926 -0.462 -1.886
76 HA ALA 9 HA ALA 9 -3.659 0.186 -1.586
77 1HB ALA 9 HB1 ALA 9 -1.221 1.593 -2.484
78 2HB ALA 9 HB2 ALA 9 -2.436 2.068 -1.298
79 3HB ALA 9 HB3 ALA 9 -2.762 2.262 -3.021
80 H SER 10 HN SER 10 -1.768 -0.918 -4.289
81 HA SER 10 HA SER 10 -3.489 -0.088 -6.365
82 1HB SER 10 HB2 SER 10 -1.028 -1.156 -6.340
83 2HB SER 10 HB1 SER 10 -1.957 -2.608 -6.713
84 HG SER 10 HG SER 10 -1.224 -1.259 -8.543
85 H LEU 11 HN LEU 11 -3.833 -2.487 -3.996
86 HA LEU 11 HA LEU 11 -5.627 -4.148 -5.556
87 1HB LEU 11 HB2 LEU 11 -5.281 -4.388 -2.594
88 2HB LEU 11 HB1 LEU 11 -5.627 -5.641 -3.770
89 HG LEU 11 HG LEU 11 -2.979 -4.224 -3.746
90 1HD1 LEU 11 HD11 LEU 11 -2.139 -6.163 -2.421
91 2HD1 LEU 11 HD12 LEU 11 -3.816 -6.609 -2.109
92 3HD1 LEU 11 HD13 LEU 11 -3.190 -5.068 -1.522
93 1HD2 LEU 11 HD21 LEU 11 -2.292 -5.829 -5.193
94 2HD2 LEU 11 HD22 LEU 11 -4.011 -5.855 -5.587
95 3HD2 LEU 11 HD23 LEU 11 -3.339 -7.065 -4.494
96 H TRP 12 HN TRP 12 -5.932 -1.238 -4.079
97 HA TRP 12 HA TRP 12 -8.787 -1.693 -3.521
98 1HB TRP 12 HB2 TRP 12 -7.000 -1.039 -1.600
99 2HB TRP 12 HB1 TRP 12 -7.462 0.569 -2.147
100 HD1 TRP 12 HD1 TRP 12 -9.249 1.503 -0.585
101 HE1 TRP 12 HE1 TRP 12 -11.331 0.576 0.611
102 HE3 TRP 12 HE3 TRP 12 -8.913 -3.386 -2.041
103 HZ2 TRP 12 HZ2 TRP 12 -12.656 -1.900 0.899
104 HZ3 TRP 12 HZ3 TRP 12 -10.627 -4.970 -1.260
105 HH2 TRP 12 HH2 TRP 12 -12.459 -4.240 0.180
106 H ASN 13 HN ASN 13 -7.382 -0.817 -5.980
107 HA ASN 13 HA ASN 13 -9.159 1.159 -6.828
108 1HB ASN 13 HB2 ASN 13 -7.140 2.273 -5.269
109 2HB ASN 13 HB1 ASN 13 -6.616 2.575 -6.923
110 1HD2 ASN 13 HD21 ASN 13 -9.131 2.823 -8.123
111 2HD2 ASN 13 HD22 ASN 13 -9.866 4.278 -7.551
Start of MODEL 2
1 1H GLU 1 HT1 GLU 1 3.513 9.111 2.043
2 2H GLU 1 HT2 GLU 1 2.551 9.521 3.404
3 3H GLU 1 HT3 GLU 1 2.040 8.282 2.331
4 HA GLU 1 HA GLU 1 4.232 8.270 4.274
5 1HB GLU 1 HB2 GLU 1 1.638 6.890 3.812
6 2HB GLU 1 HB1 GLU 1 2.938 5.930 4.506
7 1HG GLU 1 HG2 GLU 1 2.766 6.921 6.494
8 2HG GLU 1 HG1 GLU 1 2.606 8.527 5.786
9 H LEU 2 HN LEU 2 2.777 6.124 1.819
10 HA LEU 2 HA LEU 2 3.687 4.630 0.370
11 1HB LEU 2 HB2 LEU 2 5.079 6.949 0.021
12 2HB LEU 2 HB1 LEU 2 6.376 5.824 0.376
13 HG LEU 2 HG LEU 2 5.560 4.366 -1.468
14 1HD1 LEU 2 HD11 LEU 2 3.385 4.743 -1.954
15 2HD1 LEU 2 HD12 LEU 2 4.083 5.877 -3.110
16 3HD1 LEU 2 HD13 LEU 2 3.479 6.459 -1.559
17 1HD2 LEU 2 HD21 LEU 2 7.345 5.590 -2.191
18 2HD2 LEU 2 HD22 LEU 2 6.561 7.135 -1.866
19 3HD2 LEU 2 HD23 LEU 2 6.107 6.198 -3.290
20 H LEU 3 HN LEU 3 3.669 3.769 2.937
21 HA LEU 3 HA LEU 3 6.110 2.969 4.041
22 1HB LEU 3 HB2 LEU 3 3.463 2.732 4.731
23 2HB LEU 3 HB1 LEU 3 3.909 1.068 4.405
24 HG LEU 3 HG LEU 3 5.879 1.457 5.994
25 1HD1 LEU 3 HD11 LEU 3 5.435 3.998 5.903
26 2HD1 LEU 3 HD12 LEU 3 5.870 3.263 7.446
27 3HD1 LEU 3 HD13 LEU 3 4.186 3.660 7.102
28 1HD2 LEU 3 HD21 LEU 3 3.406 1.715 7.578
29 2HD2 LEU 3 HD22 LEU 3 4.668 0.484 7.630
30 3HD2 LEU 3 HD23 LEU 3 3.427 0.422 6.379
31 H GLU 4 HN GLU 4 6.218 0.318 4.392
32 HA GLU 4 HA GLU 4 7.227 -0.604 1.870
33 1HB GLU 4 HB2 GLU 4 8.378 -1.129 3.973
34 2HB GLU 4 HB1 GLU 4 6.975 -2.036 4.522
35 1HG GLU 4 HG2 GLU 4 8.082 -3.801 3.723
36 2HG GLU 4 HG1 GLU 4 7.482 -3.254 2.158
37 H LEU 5 HN LEU 5 4.748 -1.856 4.111
38 HA LEU 5 HA LEU 5 3.707 -3.589 2.043
39 1HB LEU 5 HB2 LEU 5 2.320 -4.542 3.723
40 2HB LEU 5 HB1 LEU 5 3.927 -4.337 4.398
41 HG LEU 5 HG LEU 5 2.300 -2.018 4.902
42 1HD1 LEU 5 HD11 LEU 5 0.656 -2.963 6.367
43 2HD1 LEU 5 HD12 LEU 5 1.274 -4.590 6.085
44 3HD1 LEU 5 HD13 LEU 5 0.482 -3.710 4.779
45 1HD2 LEU 5 HD21 LEU 5 3.978 -3.942 6.430
46 2HD2 LEU 5 HD22 LEU 5 2.881 -2.882 7.316
47 3HD2 LEU 5 HD23 LEU 5 4.125 -2.192 6.274
48 H ASP 6 HN ASP 6 3.389 -0.442 2.409
49 HA ASP 6 HA ASP 6 0.503 -0.241 2.241
50 1HB ASP 6 HB2 ASP 6 2.756 1.714 2.405
51 2HB ASP 6 HB1 ASP 6 1.208 2.257 1.765
52 H LYS 7 HN LYS 7 3.054 -0.771 0.111
53 HA LYS 7 HA LYS 7 2.166 0.639 -2.160
54 1HB LYS 7 HB2 LYS 7 4.439 -0.549 -1.663
55 2HB LYS 7 HB1 LYS 7 3.648 -1.952 -2.370
56 1HG LYS 7 HG2 LYS 7 3.498 -0.979 -4.460
57 2HG LYS 7 HG1 LYS 7 3.667 0.656 -3.819
58 1HD LYS 7 HD2 LYS 7 5.973 0.414 -3.492
59 2HD LYS 7 HD1 LYS 7 5.892 -1.346 -3.602
60 1HE LYS 7 HE2 LYS 7 6.852 -0.570 -5.630
61 2HE LYS 7 HE1 LYS 7 5.200 -1.061 -6.000
62 1HZ LYS 7 HZ1 LYS 7 4.588 1.038 -6.470
63 2HZ LYS 7 HZ2 LYS 7 6.240 1.263 -6.752
64 3HZ LYS 7 HZ3 LYS 7 5.565 1.728 -5.272
65 H TRP 8 HN TRP 8 0.983 -2.136 -0.620
66 HA TRP 8 HA TRP 8 -0.299 -3.228 -2.979
67 1HB TRP 8 HB2 TRP 8 -0.009 -4.062 -0.134
68 2HB TRP 8 HB1 TRP 8 -1.385 -4.687 -1.039
69 HD1 TRP 8 HD1 TRP 8 2.471 -4.480 -1.502
70 HE1 TRP 8 HE1 TRP 8 3.240 -6.648 -2.657
71 HE3 TRP 8 HE3 TRP 8 -2.083 -6.708 -2.162
72 HZ2 TRP 8 HZ2 TRP 8 2.070 -8.992 -3.709
73 HZ3 TRP 8 HZ3 TRP 8 -2.171 -8.912 -3.251
74 HH2 TRP 8 HH2 TRP 8 -0.136 -10.029 -4.009
75 H ALA 9 HN ALA 9 -0.953 -0.661 -1.026
76 HA ALA 9 HA ALA 9 -3.815 -1.062 -0.800
77 1HB ALA 9 HB1 ALA 9 -2.041 1.260 -0.065
78 2HB ALA 9 HB2 ALA 9 -2.750 0.067 1.023
79 3HB ALA 9 HB3 ALA 9 -3.786 1.225 0.190
80 H SER 10 HN SER 10 -1.545 0.721 -2.795
81 HA SER 10 HA SER 10 -3.546 2.283 -4.113
82 1HB SER 10 HB2 SER 10 -0.614 1.875 -4.408
83 2HB SER 10 HB1 SER 10 -1.492 2.496 -5.806
84 HG SER 10 HG SER 10 -1.087 4.311 -4.752
85 H LEU 11 HN LEU 11 -2.315 -0.882 -4.486
86 HA LEU 11 HA LEU 11 -3.166 -1.138 -7.245
87 1HB LEU 11 HB2 LEU 11 -2.373 -3.461 -5.542
88 2HB LEU 11 HB1 LEU 11 -2.146 -3.222 -7.264
89 HG LEU 11 HG LEU 11 -0.640 -1.697 -5.141
90 1HD1 LEU 11 HD11 LEU 11 -0.177 -4.337 -6.372
91 2HD1 LEU 11 HD12 LEU 11 0.345 -3.701 -4.812
92 3HD1 LEU 11 HD13 LEU 11 1.217 -3.261 -6.280
93 1HD2 LEU 11 HD21 LEU 11 -0.144 -1.989 -8.101
94 2HD2 LEU 11 HD22 LEU 11 0.803 -1.030 -6.963
95 3HD2 LEU 11 HD23 LEU 11 -0.862 -0.577 -7.326
96 H TRP 12 HN TRP 12 -4.726 -1.135 -4.350
97 HA TRP 12 HA TRP 12 -6.933 -2.718 -5.451
98 1HB TRP 12 HB2 TRP 12 -5.634 -3.053 -2.765
99 2HB TRP 12 HB1 TRP 12 -7.339 -3.437 -2.978
100 HD1 TRP 12 HD1 TRP 12 -3.862 -4.725 -3.768
101 HE1 TRP 12 HE1 TRP 12 -4.047 -7.082 -4.786
102 HE3 TRP 12 HE3 TRP 12 -8.926 -4.924 -4.443
103 HZ2 TRP 12 HZ2 TRP 12 -6.071 -8.798 -5.749
104 HZ3 TRP 12 HZ3 TRP 12 -9.907 -6.958 -5.419
105 HH2 TRP 12 HH2 TRP 12 -8.507 -8.854 -6.058
106 H ASN 13 HN ASN 13 -6.369 0.167 -5.220
107 HA ASN 13 HA ASN 13 -7.436 2.102 -4.682
108 1HB ASN 13 HB2 ASN 13 -9.592 0.058 -4.725
109 2HB ASN 13 HB1 ASN 13 -9.984 1.617 -4.005
110 1HD2 ASN 13 HD21 ASN 13 -8.705 3.406 -5.496
111 2HD2 ASN 13 HD22 ASN 13 -9.231 3.345 -7.141
Start of MODEL 3
1 1H GLU 1 HT1 GLU 1 3.272 9.548 2.304
2 2H GLU 1 HT2 GLU 1 1.863 9.000 1.491
3 3H GLU 1 HT3 GLU 1 3.374 9.019 0.677
4 HA GLU 1 HA GLU 1 2.441 7.258 2.821
5 1HB GLU 1 HB2 GLU 1 2.667 7.121 0.013
6 2HB GLU 1 HB1 GLU 1 3.946 6.097 0.651
7 1HG GLU 1 HG2 GLU 1 2.321 4.549 0.630
8 2HG GLU 1 HG1 GLU 1 1.918 5.270 2.188
9 H LEU 2 HN LEU 2 4.000 5.829 3.758
10 HA LEU 2 HA LEU 2 6.784 6.763 3.615
11 1HB LEU 2 HB2 LEU 2 5.172 6.197 6.099
12 2HB LEU 2 HB1 LEU 2 6.921 6.321 6.096
13 HG LEU 2 HG LEU 2 5.305 8.587 5.008
14 1HD1 LEU 2 HD11 LEU 2 4.536 7.724 7.373
15 2HD1 LEU 2 HD12 LEU 2 4.726 9.446 7.043
16 3HD1 LEU 2 HD13 LEU 2 5.992 8.567 7.900
17 1HD2 LEU 2 HD21 LEU 2 7.953 8.178 5.156
18 2HD2 LEU 2 HD22 LEU 2 7.682 8.947 6.720
19 3HD2 LEU 2 HD23 LEU 2 7.213 9.777 5.237
20 H LEU 3 HN LEU 3 4.608 4.178 4.706
21 HA LEU 3 HA LEU 3 6.655 2.222 4.953
22 1HB LEU 3 HB2 LEU 3 3.668 2.174 4.907
23 2HB LEU 3 HB1 LEU 3 4.547 0.665 4.751
24 HG LEU 3 HG LEU 3 5.327 2.424 7.007
25 1HD1 LEU 3 HD11 LEU 3 2.611 1.320 6.644
26 2HD1 LEU 3 HD12 LEU 3 3.159 2.707 7.584
27 3HD1 LEU 3 HD13 LEU 3 3.363 1.075 8.220
28 1HD2 LEU 3 HD21 LEU 3 6.302 0.156 6.429
29 2HD2 LEU 3 HD22 LEU 3 4.763 -0.528 6.955
30 3HD2 LEU 3 HD23 LEU 3 5.761 0.379 8.093
31 H GLU 4 HN GLU 4 7.544 0.911 3.483
32 HA GLU 4 HA GLU 4 6.924 1.307 0.700
33 1HB GLU 4 HB2 GLU 4 9.249 0.989 1.642
34 2HB GLU 4 HB1 GLU 4 8.838 -0.704 1.885
35 1HG GLU 4 HG2 GLU 4 9.964 -0.708 -0.134
36 2HG GLU 4 HG1 GLU 4 8.268 -0.713 -0.617
37 H LEU 5 HN LEU 5 6.224 -1.064 3.145
38 HA LEU 5 HA LEU 5 5.308 -3.029 1.229
39 1HB LEU 5 HB2 LEU 5 4.918 -4.463 3.083
40 2HB LEU 5 HB1 LEU 5 6.465 -3.672 3.329
41 HG LEU 5 HG LEU 5 4.359 -2.141 4.536
42 1HD1 LEU 5 HD11 LEU 5 3.038 -3.970 4.981
43 2HD1 LEU 5 HD12 LEU 5 4.074 -3.939 6.408
44 3HD1 LEU 5 HD13 LEU 5 4.413 -5.069 5.096
45 1HD2 LEU 5 HD21 LEU 5 5.799 -2.147 6.414
46 2HD2 LEU 5 HD22 LEU 5 6.841 -2.113 4.991
47 3HD2 LEU 5 HD23 LEU 5 6.608 -3.620 5.877
48 H ASP 6 HN ASP 6 4.013 -0.242 1.988
49 HA ASP 6 HA ASP 6 1.335 -1.110 2.686
50 1HB ASP 6 HB2 ASP 6 2.734 1.504 2.441
51 2HB ASP 6 HB1 ASP 6 0.989 1.493 2.208
52 H LYS 7 HN LYS 7 2.790 -1.620 -0.018
53 HA LYS 7 HA LYS 7 1.296 -0.221 -1.972
54 1HB LYS 7 HB2 LYS 7 3.464 -1.173 -2.501
55 2HB LYS 7 HB1 LYS 7 2.874 -2.790 -2.140
56 1HG LYS 7 HG2 LYS 7 1.433 -2.766 -4.034
57 2HG LYS 7 HG1 LYS 7 1.763 -1.059 -4.330
58 1HD LYS 7 HD2 LYS 7 3.899 -3.179 -4.390
59 2HD LYS 7 HD1 LYS 7 2.985 -2.696 -5.820
60 1HE LYS 7 HE2 LYS 7 3.739 -0.362 -5.450
61 2HE LYS 7 HE1 LYS 7 4.737 -0.932 -4.113
62 1HZ LYS 7 HZ1 LYS 7 5.545 -2.557 -6.054
63 2HZ LYS 7 HZ2 LYS 7 6.280 -1.070 -5.725
64 3HZ LYS 7 HZ3 LYS 7 5.148 -1.193 -6.975
65 H TRP 8 HN TRP 8 0.403 -2.660 0.141
66 HA TRP 8 HA TRP 8 -1.306 -4.198 -1.508
67 1HB TRP 8 HB2 TRP 8 -2.254 -5.050 0.573
68 2HB TRP 8 HB1 TRP 8 -0.498 -4.989 0.683
69 HD1 TRP 8 HD1 TRP 8 0.517 -2.855 2.140
70 HE1 TRP 8 HE1 TRP 8 -0.458 -1.715 4.231
71 HE3 TRP 8 HE3 TRP 8 -4.330 -4.434 1.742
72 HZ2 TRP 8 HZ2 TRP 8 -2.951 -1.511 5.539
73 HZ3 TRP 8 HZ3 TRP 8 -5.946 -3.722 3.455
74 HH2 TRP 8 HH2 TRP 8 -5.270 -2.291 5.314
75 H ALA 9 HN ALA 9 -1.555 -1.044 -0.340
76 HA ALA 9 HA ALA 9 -4.454 -0.977 -0.291
77 1HB ALA 9 HB1 ALA 9 -3.132 0.354 1.311
78 2HB ALA 9 HB2 ALA 9 -4.217 1.344 0.335
79 3HB ALA 9 HB3 ALA 9 -2.493 1.298 -0.035
80 H SER 10 HN SER 10 -1.893 -0.403 -2.530
81 HA SER 10 HA SER 10 -3.503 1.234 -4.296
82 1HB SER 10 HB2 SER 10 -0.823 1.092 -3.889
83 2HB SER 10 HB1 SER 10 -0.986 0.078 -5.322
84 HG SER 10 HG SER 10 -1.456 2.806 -5.000
85 H LEU 11 HN LEU 11 -3.767 -1.879 -3.599
86 HA LEU 11 HA LEU 11 -3.791 -2.960 -6.289
87 1HB LEU 11 HB2 LEU 11 -4.907 -4.416 -3.934
88 2HB LEU 11 HB1 LEU 11 -4.072 -5.052 -5.338
89 HG LEU 11 HG LEU 11 -2.745 -3.493 -3.120
90 1HD1 LEU 11 HD11 LEU 11 -3.044 -6.438 -3.613
91 2HD1 LEU 11 HD12 LEU 11 -3.377 -5.524 -2.142
92 3HD1 LEU 11 HD13 LEU 11 -1.712 -5.780 -2.663
93 1HD2 LEU 11 HD21 LEU 11 -1.820 -3.582 -5.570
94 2HD2 LEU 11 HD22 LEU 11 -1.320 -5.206 -5.100
95 3HD2 LEU 11 HD23 LEU 11 -0.741 -3.809 -4.194
96 H TRP 12 HN TRP 12 -5.845 -1.056 -4.586
97 HA TRP 12 HA TRP 12 -8.125 -1.931 -6.195
98 1HB TRP 12 HB2 TRP 12 -9.662 -1.711 -4.296
99 2HB TRP 12 HB1 TRP 12 -8.451 -2.951 -3.986
100 HD1 TRP 12 HD1 TRP 12 -6.300 -2.052 -2.388
101 HE1 TRP 12 HE1 TRP 12 -6.415 -0.534 -0.312
102 HE3 TRP 12 HE3 TRP 12 -10.876 0.084 -3.194
103 HZ2 TRP 12 HZ2 TRP 12 -8.208 1.322 0.832
104 HZ3 TRP 12 HZ3 TRP 12 -11.718 1.720 -1.561
105 HH2 TRP 12 HH2 TRP 12 -10.411 2.325 0.410
106 H ASN 13 HN ASN 13 -6.234 0.288 -6.366
107 HA ASN 13 HA ASN 13 -7.449 2.680 -5.447
108 1HB ASN 13 HB2 ASN 13 -5.150 1.933 -7.096
109 2HB ASN 13 HB1 ASN 13 -5.925 3.421 -7.631
110 1HD2 ASN 13 HD21 ASN 13 -4.139 4.640 -7.011
111 2HD2 ASN 13 HD22 ASN 13 -3.798 4.983 -5.353
Start of MODEL 4
1 1H GLU 1 HT1 GLU 1 1.924 8.959 1.185
2 2H GLU 1 HT2 GLU 1 2.072 8.430 2.811
3 3H GLU 1 HT3 GLU 1 0.722 7.947 1.869
4 HA GLU 1 HA GLU 1 2.065 6.120 1.883
5 1HB GLU 1 HB2 GLU 1 1.256 6.841 -0.346
6 2HB GLU 1 HB1 GLU 1 2.762 7.715 -0.593
7 1HG GLU 1 HG2 GLU 1 3.896 5.864 -1.131
8 2HG GLU 1 HG1 GLU 1 3.104 4.895 0.110
9 H LEU 2 HN LEU 2 3.979 5.194 2.372
10 HA LEU 2 HA LEU 2 6.517 6.213 1.764
11 1HB LEU 2 HB2 LEU 2 5.478 7.789 3.649
12 2HB LEU 2 HB1 LEU 2 6.094 6.520 4.690
13 HG LEU 2 HG LEU 2 7.967 7.610 2.664
14 1HD1 LEU 2 HD11 LEU 2 7.219 9.134 5.155
15 2HD1 LEU 2 HD12 LEU 2 6.855 9.627 3.502
16 3HD1 LEU 2 HD13 LEU 2 8.531 9.526 4.043
17 1HD2 LEU 2 HD21 LEU 2 9.547 6.827 4.072
18 2HD2 LEU 2 HD22 LEU 2 8.216 5.834 4.665
19 3HD2 LEU 2 HD23 LEU 2 8.659 7.314 5.516
20 H LEU 3 HN LEU 3 4.583 4.374 4.073
21 HA LEU 3 HA LEU 3 6.573 2.657 5.021
22 1HB LEU 3 HB2 LEU 3 3.627 2.136 4.619
23 2HB LEU 3 HB1 LEU 3 4.703 1.109 5.548
24 HG LEU 3 HG LEU 3 4.164 4.001 6.214
25 1HD1 LEU 3 HD11 LEU 3 2.965 1.530 7.454
26 2HD1 LEU 3 HD12 LEU 3 2.119 2.645 6.381
27 3HD1 LEU 3 HD13 LEU 3 2.691 3.198 7.955
28 1HD2 LEU 3 HD21 LEU 3 5.540 3.757 7.983
29 2HD2 LEU 3 HD22 LEU 3 6.261 2.497 6.982
30 3HD2 LEU 3 HD23 LEU 3 5.095 2.069 8.234
31 H GLU 4 HN GLU 4 6.733 0.298 4.553
32 HA GLU 4 HA GLU 4 7.111 -0.073 1.708
33 1HB GLU 4 HB2 GLU 4 8.808 -0.795 3.385
34 2HB GLU 4 HB1 GLU 4 7.667 -1.998 3.971
35 1HG GLU 4 HG2 GLU 4 8.629 -3.382 2.526
36 2HG GLU 4 HG1 GLU 4 7.739 -2.507 1.281
37 H LEU 5 HN LEU 5 4.846 -1.025 4.151
38 HA LEU 5 HA LEU 5 3.729 -3.161 2.553
39 1HB LEU 5 HB2 LEU 5 2.068 -3.319 4.408
40 2HB LEU 5 HB1 LEU 5 3.739 -3.563 4.885
41 HG LEU 5 HG LEU 5 3.181 -0.809 5.152
42 1HD1 LEU 5 HD11 LEU 5 1.279 -0.635 6.464
43 2HD1 LEU 5 HD12 LEU 5 1.231 -2.366 6.800
44 3HD1 LEU 5 HD13 LEU 5 0.782 -1.765 5.204
45 1HD2 LEU 5 HD21 LEU 5 3.969 -1.109 7.323
46 2HD2 LEU 5 HD22 LEU 5 4.744 -2.411 6.419
47 3HD2 LEU 5 HD23 LEU 5 3.337 -2.752 7.426
48 H ASP 6 HN ASP 6 3.608 -0.026 2.075
49 HA ASP 6 HA ASP 6 0.742 0.316 1.812
50 1HB ASP 6 HB2 ASP 6 3.130 2.080 1.512
51 2HB ASP 6 HB1 ASP 6 1.644 2.538 0.683
52 H LYS 7 HN LYS 7 3.199 -1.004 -0.045
53 HA LYS 7 HA LYS 7 2.433 -0.170 -2.630
54 1HB LYS 7 HB2 LYS 7 4.575 -1.448 -1.712
55 2HB LYS 7 HB1 LYS 7 3.649 -2.853 -2.225
56 1HG LYS 7 HG2 LYS 7 3.982 -2.436 -4.394
57 2HG LYS 7 HG1 LYS 7 3.759 -0.697 -4.196
58 1HD LYS 7 HD2 LYS 7 6.009 -0.419 -3.446
59 2HD LYS 7 HD1 LYS 7 6.248 -2.164 -3.338
60 1HE LYS 7 HE2 LYS 7 6.554 -2.398 -5.574
61 2HE LYS 7 HE1 LYS 7 5.434 -1.096 -5.972
62 1HZ LYS 7 HZ1 LYS 7 7.168 0.475 -5.163
63 2HZ LYS 7 HZ2 LYS 7 7.607 -0.387 -6.551
64 3HZ LYS 7 HZ3 LYS 7 8.239 -0.830 -5.045
65 H TRP 8 HN TRP 8 1.152 -2.458 -0.444
66 HA TRP 8 HA TRP 8 -0.284 -3.976 -2.435
67 1HB TRP 8 HB2 TRP 8 0.232 -4.180 0.434
68 2HB TRP 8 HB1 TRP 8 -1.423 -4.603 0.006
69 HD1 TRP 8 HD1 TRP 8 -1.777 -7.028 -0.738
70 HE1 TRP 8 HE1 TRP 8 -0.261 -8.951 -1.529
71 HE3 TRP 8 HE3 TRP 8 2.667 -4.511 -0.979
72 HZ2 TRP 8 HZ2 TRP 8 2.459 -9.349 -2.170
73 HZ3 TRP 8 HZ3 TRP 8 4.679 -5.737 -1.690
74 HH2 TRP 8 HH2 TRP 8 4.575 -8.106 -2.272
75 H ALA 9 HN ALA 9 -0.716 -0.958 -1.185
76 HA ALA 9 HA ALA 9 -3.586 -1.055 -0.846
77 1HB ALA 9 HB1 ALA 9 -3.361 1.407 -0.532
78 2HB ALA 9 HB2 ALA 9 -1.628 1.235 -0.814
79 3HB ALA 9 HB3 ALA 9 -2.378 0.446 0.574
80 H SER 10 HN SER 10 -1.355 -0.508 -3.409
81 HA SER 10 HA SER 10 -2.947 1.149 -5.051
82 1HB SER 10 HB2 SER 10 -0.504 -0.482 -5.383
83 2HB SER 10 HB1 SER 10 -1.423 -0.177 -6.856
84 HG SER 10 HG SER 10 -1.262 2.042 -6.432
85 H LEU 11 HN LEU 11 -3.287 -2.100 -4.180
86 HA LEU 11 HA LEU 11 -4.665 -2.894 -6.604
87 1HB LEU 11 HB2 LEU 11 -4.734 -4.527 -4.111
88 2HB LEU 11 HB1 LEU 11 -4.662 -5.050 -5.782
89 HG LEU 11 HG LEU 11 -2.366 -3.837 -4.242
90 1HD1 LEU 11 HD11 LEU 11 -3.314 -6.279 -3.792
91 2HD1 LEU 11 HD12 LEU 11 -1.587 -5.921 -3.790
92 3HD1 LEU 11 HD13 LEU 11 -2.338 -6.634 -5.218
93 1HD2 LEU 11 HD21 LEU 11 -2.144 -5.264 -6.859
94 2HD2 LEU 11 HD22 LEU 11 -1.044 -4.102 -6.118
95 3HD2 LEU 11 HD23 LEU 11 -2.567 -3.553 -6.816
96 H TRP 12 HN TRP 12 -5.497 -1.041 -4.037
97 HA TRP 12 HA TRP 12 -8.332 -1.544 -4.474
98 1HB TRP 12 HB2 TRP 12 -7.062 -2.562 -2.212
99 2HB TRP 12 HB1 TRP 12 -7.834 -1.084 -1.645
100 HD1 TRP 12 HD1 TRP 12 -8.717 -4.201 -0.984
101 HE1 TRP 12 HE1 TRP 12 -11.185 -4.823 -1.368
102 HE3 TRP 12 HE3 TRP 12 -10.018 -0.433 -4.186
103 HZ2 TRP 12 HZ2 TRP 12 -13.391 -3.846 -2.833
104 HZ3 TRP 12 HZ3 TRP 12 -12.326 -0.349 -5.033
105 HH2 TRP 12 HH2 TRP 12 -13.977 -2.022 -4.370
106 H ASN 13 HN ASN 13 -6.484 0.566 -5.221
107 HA ASN 13 HA ASN 13 -7.676 2.812 -3.729
108 1HB ASN 13 HB2 ASN 13 -5.232 2.633 -3.402
109 2HB ASN 13 HB1 ASN 13 -5.000 2.750 -5.144
110 1HD2 ASN 13 HD21 ASN 13 -5.799 4.445 -2.236
111 2HD2 ASN 13 HD22 ASN 13 -5.706 6.040 -2.893
Start of MODEL 5
1 1H GLU 1 HT1 GLU 1 4.785 10.270 6.671
2 2H GLU 1 HT2 GLU 1 4.454 10.190 4.989
3 3H GLU 1 HT3 GLU 1 6.076 10.148 5.551
4 HA GLU 1 HA GLU 1 5.416 8.095 6.794
5 1HB GLU 1 HB2 GLU 1 2.934 8.778 6.110
6 2HB GLU 1 HB1 GLU 1 3.316 7.802 4.698
7 1HG GLU 1 HG2 GLU 1 3.142 5.892 5.828
8 2HG GLU 1 HG1 GLU 1 4.043 6.519 7.208
9 H LEU 2 HN LEU 2 7.169 7.079 6.059
10 HA LEU 2 HA LEU 2 7.535 6.791 3.159
11 1HB LEU 2 HB2 LEU 2 9.301 7.486 5.246
12 2HB LEU 2 HB1 LEU 2 9.794 5.896 4.697
13 HG LEU 2 HG LEU 2 11.050 7.558 3.499
14 1HD1 LEU 2 HD11 LEU 2 9.132 6.849 1.375
15 2HD1 LEU 2 HD12 LEU 2 9.770 5.509 2.328
16 3HD1 LEU 2 HD13 LEU 2 10.873 6.586 1.472
17 1HD2 LEU 2 HD21 LEU 2 8.718 8.716 2.116
18 2HD2 LEU 2 HD22 LEU 2 10.228 9.470 2.627
19 3HD2 LEU 2 HD23 LEU 2 8.939 9.196 3.798
20 H LEU 3 HN LEU 3 5.679 5.156 4.646
21 HA LEU 3 HA LEU 3 6.857 2.598 5.136
22 1HB LEU 3 HB2 LEU 3 3.987 3.452 4.768
23 2HB LEU 3 HB1 LEU 3 4.474 1.825 5.204
24 HG LEU 3 HG LEU 3 5.362 4.121 6.903
25 1HD1 LEU 3 HD11 LEU 3 2.754 3.977 6.346
26 2HD1 LEU 3 HD12 LEU 3 3.372 4.422 7.937
27 3HD1 LEU 3 HD13 LEU 3 2.835 2.770 7.630
28 1HD2 LEU 3 HD21 LEU 3 4.741 1.212 7.379
29 2HD2 LEU 3 HD22 LEU 3 5.132 2.361 8.658
30 3HD2 LEU 3 HD23 LEU 3 6.322 1.993 7.410
31 H GLU 4 HN GLU 4 7.500 1.190 3.660
32 HA GLU 4 HA GLU 4 6.679 1.497 0.894
33 1HB GLU 4 HB2 GLU 4 8.889 0.210 2.330
34 2HB GLU 4 HB1 GLU 4 8.300 -0.716 0.957
35 1HG GLU 4 HG2 GLU 4 8.690 1.142 -0.522
36 2HG GLU 4 HG1 GLU 4 9.152 2.167 0.836
37 H LEU 5 HN LEU 5 5.397 -0.070 3.503
38 HA LEU 5 HA LEU 5 4.623 -2.498 2.135
39 1HB LEU 5 HB2 LEU 5 3.349 -2.945 4.243
40 2HB LEU 5 HB1 LEU 5 5.086 -2.777 4.432
41 HG LEU 5 HG LEU 5 3.909 -0.216 4.758
42 1HD1 LEU 5 HD11 LEU 5 2.565 -0.682 6.803
43 2HD1 LEU 5 HD12 LEU 5 2.613 -2.394 6.383
44 3HD1 LEU 5 HD13 LEU 5 1.821 -1.244 5.306
45 1HD2 LEU 5 HD21 LEU 5 5.885 -0.464 5.865
46 2HD2 LEU 5 HD22 LEU 5 5.537 -2.127 6.339
47 3HD2 LEU 5 HD23 LEU 5 4.775 -0.787 7.196
48 H ASP 6 HN ASP 6 3.655 0.449 1.569
49 HA ASP 6 HA ASP 6 0.788 0.108 1.828
50 1HB ASP 6 HB2 ASP 6 2.622 2.326 1.312
51 2HB ASP 6 HB1 ASP 6 1.180 2.376 0.302
52 H LYS 7 HN LYS 7 2.646 -1.485 -0.083
53 HA LYS 7 HA LYS 7 1.717 -0.778 -2.698
54 1HB LYS 7 HB2 LYS 7 2.985 -3.381 -1.851
55 2HB LYS 7 HB1 LYS 7 2.928 -2.697 -3.470
56 1HG LYS 7 HG2 LYS 7 4.190 -0.944 -1.509
57 2HG LYS 7 HG1 LYS 7 5.017 -2.488 -1.721
58 1HD LYS 7 HD2 LYS 7 4.266 -1.456 -4.284
59 2HD LYS 7 HD1 LYS 7 5.126 -0.206 -3.383
60 1HE LYS 7 HE2 LYS 7 6.917 -1.873 -2.914
61 2HE LYS 7 HE1 LYS 7 6.080 -3.004 -3.977
62 1HZ LYS 7 HZ1 LYS 7 7.920 -1.743 -5.043
63 2HZ LYS 7 HZ2 LYS 7 7.018 -0.326 -4.843
64 3HZ LYS 7 HZ3 LYS 7 6.428 -1.572 -5.823
65 H TRP 8 HN TRP 8 0.190 -2.237 -0.146
66 HA TRP 8 HA TRP 8 -1.275 -4.232 -1.622
67 1HB TRP 8 HB2 TRP 8 -1.032 -3.389 1.174
68 2HB TRP 8 HB1 TRP 8 -2.670 -3.847 0.720
69 HD1 TRP 8 HD1 TRP 8 -2.992 -6.228 1.611
70 HE1 TRP 8 HE1 TRP 8 -1.678 -8.437 1.472
71 HE3 TRP 8 HE3 TRP 8 1.213 -4.525 -0.746
72 HZ2 TRP 8 HZ2 TRP 8 0.812 -9.338 0.493
73 HZ3 TRP 8 HZ3 TRP 8 3.014 -6.124 -1.247
74 HH2 TRP 8 HH2 TRP 8 2.816 -8.481 -0.640
75 H ALA 9 HN ALA 9 -1.429 -0.943 -1.606
76 HA ALA 9 HA ALA 9 -4.284 -0.604 -1.518
77 1HB ALA 9 HB1 ALA 9 -2.480 1.440 -2.717
78 2HB ALA 9 HB2 ALA 9 -2.370 1.107 -0.989
79 3HB ALA 9 HB3 ALA 9 -3.896 1.649 -1.688
80 H SER 10 HN SER 10 -2.302 -1.966 -3.786
81 HA SER 10 HA SER 10 -3.367 -0.819 -6.172
82 1HB SER 10 HB2 SER 10 -1.183 -2.328 -5.658
83 2HB SER 10 HB1 SER 10 -2.270 -3.566 -6.289
84 HG SER 10 HG SER 10 -1.982 -2.774 -8.205
85 H LEU 11 HN LEU 11 -4.717 -2.860 -3.895
86 HA LEU 11 HA LEU 11 -6.312 -4.408 -5.755
87 1HB LEU 11 HB2 LEU 11 -6.817 -4.300 -2.808
88 2HB LEU 11 HB1 LEU 11 -7.071 -5.628 -3.924
89 HG LEU 11 HG LEU 11 -4.292 -4.680 -3.329
90 1HD1 LEU 11 HD11 LEU 11 -6.133 -6.107 -1.518
91 2HD1 LEU 11 HD12 LEU 11 -4.729 -5.104 -1.155
92 3HD1 LEU 11 HD13 LEU 11 -4.509 -6.776 -1.673
93 1HD2 LEU 11 HD21 LEU 11 -4.701 -6.255 -5.183
94 2HD2 LEU 11 HD22 LEU 11 -5.420 -7.385 -4.036
95 3HD2 LEU 11 HD23 LEU 11 -3.715 -6.957 -3.899
96 H TRP 12 HN TRP 12 -6.446 -1.317 -4.665
97 HA TRP 12 HA TRP 12 -9.361 -1.217 -5.032
98 1HB TRP 12 HB2 TRP 12 -8.244 -0.807 -2.605
99 2HB TRP 12 HB1 TRP 12 -8.166 0.828 -3.253
100 HD1 TRP 12 HD1 TRP 12 -10.198 2.212 -2.585
101 HE1 TRP 12 HE1 TRP 12 -12.686 1.749 -2.114
102 HE3 TRP 12 HE3 TRP 12 -10.261 -2.828 -3.439
103 HZ2 TRP 12 HZ2 TRP 12 -14.442 -0.461 -2.106
104 HZ3 TRP 12 HZ3 TRP 12 -12.386 -4.042 -3.177
105 HH2 TRP 12 HH2 TRP 12 -14.432 -2.881 -2.524
106 H ASN 13 HN ASN 13 -7.181 -0.791 -6.912
107 HA ASN 13 HA ASN 13 -7.398 2.097 -7.411
108 1HB ASN 13 HB2 ASN 13 -5.117 0.919 -7.278
109 2HB ASN 13 HB1 ASN 13 -5.529 0.214 -8.838
110 1HD2 ASN 13 HD21 ASN 13 -3.563 1.375 -9.475
111 2HD2 ASN 13 HD22 ASN 13 -3.704 3.028 -9.956
Start of MODEL 6
1 1H GLU 1 HT1 GLU 1 1.235 8.509 4.418
2 2H GLU 1 HT2 GLU 1 1.493 8.235 2.743
3 3H GLU 1 HT3 GLU 1 2.754 8.878 3.714
4 HA GLU 1 HA GLU 1 3.027 6.903 4.863
5 1HB GLU 1 HB2 GLU 1 0.604 6.438 5.062
6 2HB GLU 1 HB1 GLU 1 0.575 5.935 3.378
7 1HG GLU 1 HG2 GLU 1 2.572 4.383 4.427
8 2HG GLU 1 HG1 GLU 1 1.417 4.481 5.755
9 H LEU 2 HN LEU 2 4.907 6.958 3.634
10 HA LEU 2 HA LEU 2 4.781 5.622 1.012
11 1HB LEU 2 HB2 LEU 2 6.962 6.695 0.558
12 2HB LEU 2 HB1 LEU 2 5.665 7.845 0.822
13 HG LEU 2 HG LEU 2 6.808 7.491 3.345
14 1HD1 LEU 2 HD11 LEU 2 8.695 6.538 1.654
15 2HD1 LEU 2 HD12 LEU 2 9.040 7.315 3.200
16 3HD1 LEU 2 HD13 LEU 2 9.122 8.249 1.706
17 1HD2 LEU 2 HD21 LEU 2 7.227 9.774 3.227
18 2HD2 LEU 2 HD22 LEU 2 5.910 9.547 2.076
19 3HD2 LEU 2 HD23 LEU 2 7.566 9.722 1.497
20 H LEU 3 HN LEU 3 4.725 4.122 3.402
21 HA LEU 3 HA LEU 3 7.333 3.179 4.075
22 1HB LEU 3 HB2 LEU 3 4.548 2.504 4.773
23 2HB LEU 3 HB1 LEU 3 5.685 1.174 4.872
24 HG LEU 3 HG LEU 3 5.359 2.351 7.026
25 1HD1 LEU 3 HD11 LEU 3 7.966 2.026 5.679
26 2HD1 LEU 3 HD12 LEU 3 7.350 1.292 7.160
27 3HD1 LEU 3 HD13 LEU 3 7.965 2.945 7.184
28 1HD2 LEU 3 HD21 LEU 3 6.669 4.659 5.593
29 2HD2 LEU 3 HD22 LEU 3 6.333 4.577 7.322
30 3HD2 LEU 3 HD23 LEU 3 5.002 4.601 6.166
31 H GLU 4 HN GLU 4 7.449 0.560 4.013
32 HA GLU 4 HA GLU 4 7.726 -0.039 1.200
33 1HB GLU 4 HB2 GLU 4 9.449 -0.642 2.925
34 2HB GLU 4 HB1 GLU 4 8.316 -1.826 3.563
35 1HG GLU 4 HG2 GLU 4 9.901 -2.921 2.136
36 2HG GLU 4 HG1 GLU 4 8.310 -2.960 1.378
37 H LEU 5 HN LEU 5 5.615 -0.898 3.838
38 HA LEU 5 HA LEU 5 4.367 -3.051 2.360
39 1HB LEU 5 HB2 LEU 5 3.063 -3.454 4.305
40 2HB LEU 5 HB1 LEU 5 4.718 -3.167 4.815
41 HG LEU 5 HG LEU 5 3.237 -0.707 4.780
42 1HD1 LEU 5 HD11 LEU 5 1.896 -1.478 6.899
43 2HD1 LEU 5 HD12 LEU 5 1.964 -3.050 6.103
44 3HD1 LEU 5 HD13 LEU 5 1.222 -1.677 5.282
45 1HD2 LEU 5 HD21 LEU 5 4.777 -2.306 6.792
46 2HD2 LEU 5 HD22 LEU 5 3.926 -0.832 7.252
47 3HD2 LEU 5 HD23 LEU 5 5.200 -0.771 6.034
48 H ASP 6 HN ASP 6 4.237 -0.034 1.650
49 HA ASP 6 HA ASP 6 1.426 0.552 1.835
50 1HB ASP 6 HB2 ASP 6 1.978 2.569 0.560
51 2HB ASP 6 HB1 ASP 6 3.093 2.354 1.906
52 H LYS 7 HN LYS 7 3.064 -1.573 -0.055
53 HA LYS 7 HA LYS 7 1.935 -1.018 -2.613
54 1HB LYS 7 HB2 LYS 7 3.138 -3.560 -1.510
55 2HB LYS 7 HB1 LYS 7 2.730 -3.290 -3.199
56 1HG LYS 7 HG2 LYS 7 4.307 -1.149 -2.721
57 2HG LYS 7 HG1 LYS 7 5.020 -2.337 -1.629
58 1HD LYS 7 HD2 LYS 7 5.194 -3.920 -3.517
59 2HD LYS 7 HD1 LYS 7 4.559 -2.673 -4.592
60 1HE LYS 7 HE2 LYS 7 6.861 -1.869 -2.945
61 2HE LYS 7 HE1 LYS 7 7.194 -3.113 -4.149
62 1HZ LYS 7 HZ1 LYS 7 7.570 -0.977 -5.116
63 2HZ LYS 7 HZ2 LYS 7 6.042 -0.423 -4.646
64 3HZ LYS 7 HZ3 LYS 7 6.177 -1.630 -5.823
65 H TRP 8 HN TRP 8 0.568 -2.160 0.207
66 HA TRP 8 HA TRP 8 -1.320 -3.963 -1.044
67 1HB TRP 8 HB2 TRP 8 -0.396 -3.477 1.620
68 2HB TRP 8 HB1 TRP 8 -2.149 -3.313 1.593
69 HD1 TRP 8 HD1 TRP 8 0.598 -5.897 0.768
70 HE1 TRP 8 HE1 TRP 8 -0.434 -8.248 0.945
71 HE3 TRP 8 HE3 TRP 8 -4.276 -4.586 1.586
72 HZ2 TRP 8 HZ2 TRP 8 -2.977 -9.395 1.375
73 HZ3 TRP 8 HZ3 TRP 8 -5.946 -6.371 1.870
74 HH2 TRP 8 HH2 TRP 8 -5.308 -8.725 1.766
75 H ALA 9 HN ALA 9 -1.053 -0.654 -0.706
76 HA ALA 9 HA ALA 9 -3.888 -0.116 -0.413
77 1HB ALA 9 HB1 ALA 9 -3.332 2.106 -0.151
78 2HB ALA 9 HB2 ALA 9 -1.885 1.973 -1.150
79 3HB ALA 9 HB3 ALA 9 -1.895 1.301 0.480
80 H SER 10 HN SER 10 -1.612 -0.603 -2.948
81 HA SER 10 HA SER 10 -3.087 0.833 -4.958
82 1HB SER 10 HB2 SER 10 -1.445 -0.711 -6.418
83 2HB SER 10 HB1 SER 10 -0.904 0.769 -5.626
84 HG SER 10 HG SER 10 0.122 -0.383 -4.127
85 H LEU 11 HN LEU 11 -3.797 -1.943 -3.365
86 HA LEU 11 HA LEU 11 -4.645 -3.543 -5.608
87 1HB LEU 11 HB2 LEU 11 -5.551 -4.014 -2.797
88 2HB LEU 11 HB1 LEU 11 -5.237 -5.182 -4.066
89 HG LEU 11 HG LEU 11 -3.096 -3.598 -2.647
90 1HD1 LEU 11 HD11 LEU 11 -3.345 -6.508 -2.243
91 2HD1 LEU 11 HD12 LEU 11 -4.566 -5.504 -1.460
92 3HD1 LEU 11 HD13 LEU 11 -2.856 -5.239 -1.120
93 1HD2 LEU 11 HD21 LEU 11 -2.509 -6.111 -4.074
94 2HD2 LEU 11 HD22 LEU 11 -1.567 -4.625 -3.953
95 3HD2 LEU 11 HD23 LEU 11 -2.919 -4.723 -5.082
96 H TRP 12 HN TRP 12 -5.861 -0.826 -4.198
97 HA TRP 12 HA TRP 12 -8.635 -1.568 -4.854
98 1HB TRP 12 HB2 TRP 12 -7.493 -0.148 -2.574
99 2HB TRP 12 HB1 TRP 12 -8.805 0.743 -3.338
100 HD1 TRP 12 HD1 TRP 12 -8.106 -2.581 -1.538
101 HE1 TRP 12 HE1 TRP 12 -10.340 -3.518 -0.668
102 HE3 TRP 12 HE3 TRP 12 -11.293 0.791 -3.685
103 HZ2 TRP 12 HZ2 TRP 12 -13.089 -2.908 -0.866
104 HZ3 TRP 12 HZ3 TRP 12 -13.710 0.544 -3.295
105 HH2 TRP 12 HH2 TRP 12 -14.588 -1.269 -1.915
106 H ASN 13 HN ASN 13 -6.009 0.254 -5.854
107 HA ASN 13 HA ASN 13 -5.718 1.867 -7.428
108 1HB ASN 13 HB2 ASN 13 -8.397 0.739 -8.111
109 2HB ASN 13 HB1 ASN 13 -7.885 2.218 -8.919
110 1HD2 ASN 13 HD21 ASN 13 -7.025 1.845 -10.815
111 2HD2 ASN 13 HD22 ASN 13 -6.047 0.490 -11.250
Start of MODEL 7
1 1H GLU 1 HT1 GLU 1 10.321 5.040 6.519
2 2H GLU 1 HT2 GLU 1 11.166 4.334 5.203
3 3H GLU 1 HT3 GLU 1 9.852 3.501 5.928
4 HA GLU 1 HA GLU 1 9.567 6.128 4.653
5 1HB GLU 1 HB2 GLU 1 10.520 4.210 3.196
6 2HB GLU 1 HB1 GLU 1 8.920 3.496 3.347
7 1HG GLU 1 HG2 GLU 1 7.930 5.092 2.053
8 2HG GLU 1 HG1 GLU 1 9.122 6.324 2.464
9 H LEU 2 HN LEU 2 7.468 6.814 4.576
10 HA LEU 2 HA LEU 2 5.623 5.556 6.382
11 1HB LEU 2 HB2 LEU 2 5.982 8.082 5.903
12 2HB LEU 2 HB1 LEU 2 4.921 7.811 4.534
13 HG LEU 2 HG LEU 2 3.966 6.888 7.192
14 1HD1 LEU 2 HD11 LEU 2 3.146 9.119 7.756
15 2HD1 LEU 2 HD12 LEU 2 4.019 9.790 6.379
16 3HD1 LEU 2 HD13 LEU 2 4.908 9.070 7.720
17 1HD2 LEU 2 HD21 LEU 2 2.321 8.490 5.340
18 2HD2 LEU 2 HD22 LEU 2 1.927 7.019 6.230
19 3HD2 LEU 2 HD23 LEU 2 2.867 6.924 4.741
20 H LEU 3 HN LEU 3 6.000 5.820 2.908
21 HA LEU 3 HA LEU 3 3.432 4.573 2.391
22 1HB LEU 3 HB2 LEU 3 5.599 5.757 0.721
23 2HB LEU 3 HB1 LEU 3 4.493 4.620 -0.026
24 HG LEU 3 HG LEU 3 2.674 6.213 1.072
25 1HD1 LEU 3 HD11 LEU 3 4.162 7.694 2.209
26 2HD1 LEU 3 HD12 LEU 3 3.451 8.573 0.856
27 3HD1 LEU 3 HD13 LEU 3 5.102 7.963 0.742
28 1HD2 LEU 3 HD21 LEU 3 3.078 7.653 -1.142
29 2HD2 LEU 3 HD22 LEU 3 2.411 6.021 -1.171
30 3HD2 LEU 3 HD23 LEU 3 4.123 6.280 -1.507
31 H GLU 4 HN GLU 4 5.959 3.241 3.681
32 HA GLU 4 HA GLU 4 6.896 1.231 2.001
33 1HB GLU 4 HB2 GLU 4 7.861 1.783 4.212
34 2HB GLU 4 HB1 GLU 4 6.454 1.069 4.987
35 1HG GLU 4 HG2 GLU 4 7.021 -1.099 3.991
36 2HG GLU 4 HG1 GLU 4 8.451 -0.374 3.259
37 H LEU 5 HN LEU 5 4.241 1.049 4.375
38 HA LEU 5 HA LEU 5 3.384 -1.489 3.282
39 1HB LEU 5 HB2 LEU 5 1.650 -1.385 5.056
40 2HB LEU 5 HB1 LEU 5 3.300 -1.310 5.651
41 HG LEU 5 HG LEU 5 2.500 1.343 5.231
42 1HD1 LEU 5 HD11 LEU 5 0.531 1.469 6.754
43 2HD1 LEU 5 HD12 LEU 5 0.388 -0.284 6.629
44 3HD1 LEU 5 HD13 LEU 5 0.192 0.722 5.193
45 1HD2 LEU 5 HD21 LEU 5 3.960 1.068 6.960
46 2HD2 LEU 5 HD22 LEU 5 3.175 -0.403 7.534
47 3HD2 LEU 5 HD23 LEU 5 2.455 1.171 7.873
48 H ASP 6 HN ASP 6 3.080 1.379 2.009
49 HA ASP 6 HA ASP 6 0.210 1.467 1.612
50 1HB ASP 6 HB2 ASP 6 2.505 3.200 0.735
51 2HB ASP 6 HB1 ASP 6 0.902 3.395 0.032
52 H LYS 7 HN LYS 7 2.411 -0.542 0.420
53 HA LYS 7 HA LYS 7 1.897 -0.321 -2.398
54 1HB LYS 7 HB2 LYS 7 3.169 -2.555 -0.810
55 2HB LYS 7 HB1 LYS 7 3.160 -2.432 -2.564
56 1HG LYS 7 HG2 LYS 7 4.590 -0.567 -2.547
57 2HG LYS 7 HG1 LYS 7 4.352 -0.301 -0.818
58 1HD LYS 7 HD2 LYS 7 5.827 -1.927 -0.228
59 2HD LYS 7 HD1 LYS 7 5.451 -2.928 -1.632
60 1HE LYS 7 HE2 LYS 7 7.741 -2.014 -1.697
61 2HE LYS 7 HE1 LYS 7 6.756 -1.487 -3.061
62 1HZ LYS 7 HZ1 LYS 7 7.928 0.391 -2.268
63 2HZ LYS 7 HZ2 LYS 7 7.499 0.086 -0.661
64 3HZ LYS 7 HZ3 LYS 7 6.324 0.589 -1.768
65 H TRP 8 HN TRP 8 0.049 -1.404 0.132
66 HA TRP 8 HA TRP 8 -1.172 -3.638 -1.254
67 1HB TRP 8 HB2 TRP 8 -1.458 -2.402 1.450
68 2HB TRP 8 HB1 TRP 8 -2.778 -3.386 0.827
69 HD1 TRP 8 HD1 TRP 8 -0.880 -5.581 -0.634
70 HE1 TRP 8 HE1 TRP 8 0.336 -7.305 0.839
71 HE3 TRP 8 HE3 TRP 8 -1.022 -3.084 3.825
72 HZ2 TRP 8 HZ2 TRP 8 1.130 -7.572 3.535
73 HZ3 TRP 8 HZ3 TRP 8 -0.012 -4.144 5.803
74 HH2 TRP 8 HH2 TRP 8 1.041 -6.342 5.659
75 H ALA 9 HN ALA 9 -1.441 -0.352 -1.487
76 HA ALA 9 HA ALA 9 -4.295 -0.119 -1.697
77 1HB ALA 9 HB1 ALA 9 -3.493 1.926 -1.157
78 2HB ALA 9 HB2 ALA 9 -3.432 2.104 -2.910
79 3HB ALA 9 HB3 ALA 9 -1.973 1.679 -2.016
80 H SER 10 HN SER 10 -1.804 -1.195 -3.772
81 HA SER 10 HA SER 10 -2.834 -0.431 -6.272
82 1HB SER 10 HB2 SER 10 -1.409 -3.035 -6.004
83 2HB SER 10 HB1 SER 10 -1.185 -1.748 -7.188
84 HG SER 10 HG SER 10 0.044 -2.141 -4.782
85 H LEU 11 HN LEU 11 -3.988 -2.671 -4.002
86 HA LEU 11 HA LEU 11 -5.370 -4.324 -5.941
87 1HB LEU 11 HB2 LEU 11 -5.897 -4.409 -2.997
88 2HB LEU 11 HB1 LEU 11 -5.979 -5.709 -4.171
89 HG LEU 11 HG LEU 11 -3.349 -4.442 -3.481
90 1HD1 LEU 11 HD11 LEU 11 -4.826 -6.565 -1.947
91 2HD1 LEU 11 HD12 LEU 11 -4.157 -5.050 -1.343
92 3HD1 LEU 11 HD13 LEU 11 -3.079 -6.348 -1.854
93 1HD2 LEU 11 HD21 LEU 11 -2.850 -7.027 -3.928
94 2HD2 LEU 11 HD22 LEU 11 -2.920 -5.830 -5.221
95 3HD2 LEU 11 HD23 LEU 11 -4.316 -6.856 -4.892
96 H TRP 12 HN TRP 12 -5.893 -1.324 -4.724
97 HA TRP 12 HA TRP 12 -8.771 -1.572 -4.395
98 1HB TRP 12 HB2 TRP 12 -6.730 0.408 -3.695
99 2HB TRP 12 HB1 TRP 12 -8.215 1.125 -4.313
100 HD1 TRP 12 HD1 TRP 12 -9.582 1.887 -2.293
101 HE1 TRP 12 HE1 TRP 12 -10.259 0.866 -0.029
102 HE3 TRP 12 HE3 TRP 12 -6.952 -2.490 -2.556
103 HZ2 TRP 12 HZ2 TRP 12 -9.746 -1.484 1.449
104 HZ3 TRP 12 HZ3 TRP 12 -7.099 -4.069 -0.676
105 HH2 TRP 12 HH2 TRP 12 -8.468 -3.575 1.285
106 H ASN 13 HN ASN 13 -6.616 -1.087 -6.926
107 HA ASN 13 HA ASN 13 -8.233 0.707 -8.486
108 1HB ASN 13 HB2 ASN 13 -5.669 -0.740 -8.844
109 2HB ASN 13 HB1 ASN 13 -6.565 -0.365 -10.313
110 1HD2 ASN 13 HD21 ASN 13 -5.818 1.395 -11.223
111 2HD2 ASN 13 HD22 ASN 13 -5.305 2.830 -10.409
Start of MODEL 8
1 1H GLU 1 HT1 GLU 1 9.973 8.284 6.001
2 2H GLU 1 HT2 GLU 1 9.473 9.377 4.776
3 3H GLU 1 HT3 GLU 1 9.961 7.785 4.362
4 HA GLU 1 HA GLU 1 7.696 8.332 6.140
5 1HB GLU 1 HB2 GLU 1 7.944 8.517 3.187
6 2HB GLU 1 HB1 GLU 1 6.524 7.686 3.806
7 1HG GLU 1 HG2 GLU 1 5.577 9.681 3.975
8 2HG GLU 1 HG1 GLU 1 6.656 9.978 5.338
9 H LEU 2 HN LEU 2 6.600 6.498 6.702
10 HA LEU 2 HA LEU 2 7.885 3.969 5.975
11 1HB LEU 2 HB2 LEU 2 7.099 4.975 8.407
12 2HB LEU 2 HB1 LEU 2 5.775 3.897 8.007
13 HG LEU 2 HG LEU 2 7.670 2.164 7.538
14 1HD1 LEU 2 HD11 LEU 2 9.345 4.157 7.969
15 2HD1 LEU 2 HD12 LEU 2 9.734 2.504 8.446
16 3HD1 LEU 2 HD13 LEU 2 9.141 3.652 9.647
17 1HD2 LEU 2 HD21 LEU 2 7.165 1.228 9.543
18 2HD2 LEU 2 HD22 LEU 2 5.932 2.489 9.532
19 3HD2 LEU 2 HD23 LEU 2 7.428 2.726 10.435
20 H LEU 3 HN LEU 3 6.092 5.340 4.149
21 HA LEU 3 HA LEU 3 3.626 3.812 4.193
22 1HB LEU 3 HB2 LEU 3 4.228 6.307 3.308
23 2HB LEU 3 HB1 LEU 3 4.283 5.405 1.805
24 HG LEU 3 HG LEU 3 1.956 4.504 2.548
25 1HD1 LEU 3 HD11 LEU 3 1.886 5.334 4.779
26 2HD1 LEU 3 HD12 LEU 3 0.702 6.242 3.838
27 3HD1 LEU 3 HD13 LEU 3 2.255 6.973 4.244
28 1HD2 LEU 3 HD21 LEU 3 1.772 7.367 1.835
29 2HD2 LEU 3 HD22 LEU 3 1.041 5.956 1.071
30 3HD2 LEU 3 HD23 LEU 3 2.735 6.343 0.771
31 H GLU 4 HN GLU 4 6.535 2.785 3.535
32 HA GLU 4 HA GLU 4 6.651 1.903 0.915
33 1HB GLU 4 HB2 GLU 4 8.446 1.720 2.678
34 2HB GLU 4 HB1 GLU 4 7.594 0.315 3.303
35 1HG GLU 4 HG2 GLU 4 9.006 -0.792 1.955
36 2HG GLU 4 HG1 GLU 4 7.804 -0.397 0.727
37 H LEU 5 HN LEU 5 4.638 0.806 3.507
38 HA LEU 5 HA LEU 5 3.948 -1.673 2.184
39 1HB LEU 5 HB2 LEU 5 2.359 -1.933 4.094
40 2HB LEU 5 HB1 LEU 5 4.052 -1.810 4.541
41 HG LEU 5 HG LEU 5 2.973 0.805 4.529
42 1HD1 LEU 5 HD11 LEU 5 0.777 -0.297 4.749
43 2HD1 LEU 5 HD12 LEU 5 1.210 0.652 6.171
44 3HD1 LEU 5 HD13 LEU 5 1.355 -1.106 6.206
45 1HD2 LEU 5 HD21 LEU 5 4.182 -1.077 6.483
46 2HD2 LEU 5 HD22 LEU 5 3.385 0.369 7.103
47 3HD2 LEU 5 HD23 LEU 5 4.724 0.520 5.965
48 H ASP 6 HN ASP 6 3.300 1.123 1.095
49 HA ASP 6 HA ASP 6 0.437 1.259 1.135
50 1HB ASP 6 HB2 ASP 6 0.738 3.070 -0.529
51 2HB ASP 6 HB1 ASP 6 1.725 3.304 0.910
52 H LYS 7 HN LYS 7 2.514 -0.794 -0.427
53 HA LYS 7 HA LYS 7 1.465 -0.893 -3.033
54 1HB LYS 7 HB2 LYS 7 2.811 -3.019 -1.369
55 2HB LYS 7 HB1 LYS 7 2.426 -3.209 -3.074
56 1HG LYS 7 HG2 LYS 7 3.911 -1.423 -3.669
57 2HG LYS 7 HG1 LYS 7 4.199 -1.043 -1.970
58 1HD LYS 7 HD2 LYS 7 5.683 -2.717 -1.720
59 2HD LYS 7 HD1 LYS 7 4.740 -3.832 -2.710
60 1HE LYS 7 HE2 LYS 7 5.544 -2.665 -4.731
61 2HE LYS 7 HE1 LYS 7 6.541 -1.629 -3.710
62 1HZ LYS 7 HZ1 LYS 7 7.457 -3.888 -2.863
63 2HZ LYS 7 HZ2 LYS 7 8.019 -3.252 -4.326
64 3HZ LYS 7 HZ3 LYS 7 6.860 -4.484 -4.330
65 H TRP 8 HN TRP 8 0.103 -1.801 -0.076
66 HA TRP 8 HA TRP 8 -1.604 -3.878 -1.104
67 1HB TRP 8 HB2 TRP 8 -0.749 -3.201 1.409
68 2HB TRP 8 HB1 TRP 8 -2.403 -2.597 1.417
69 HD1 TRP 8 HD1 TRP 8 -4.107 -4.316 2.220
70 HE1 TRP 8 HE1 TRP 8 -4.256 -6.885 2.287
71 HE3 TRP 8 HE3 TRP 8 0.287 -5.448 -0.136
72 HZ2 TRP 8 HZ2 TRP 8 -2.716 -9.098 1.451
73 HZ3 TRP 8 HZ3 TRP 8 0.875 -7.815 -0.463
74 HH2 TRP 8 HH2 TRP 8 -0.596 -9.601 0.316
75 H ALA 9 HN ALA 9 -1.612 -0.574 -1.421
76 HA ALA 9 HA ALA 9 -4.486 -0.209 -1.280
77 1HB ALA 9 HB1 ALA 9 -4.078 2.009 -1.258
78 2HB ALA 9 HB2 ALA 9 -2.824 1.900 -2.493
79 3HB ALA 9 HB3 ALA 9 -2.451 1.491 -0.819
80 H SER 10 HN SER 10 -2.103 -1.010 -3.635
81 HA SER 10 HA SER 10 -3.568 -0.124 -5.928
82 1HB SER 10 HB2 SER 10 -1.883 -1.867 -7.021
83 2HB SER 10 HB1 SER 10 -1.339 -0.286 -6.459
84 HG SER 10 HG SER 10 -1.274 -2.634 -4.870
85 H LEU 11 HN LEU 11 -4.146 -2.598 -3.791
86 HA LEU 11 HA LEU 11 -4.993 -4.603 -5.668
87 1HB LEU 11 HB2 LEU 11 -5.862 -4.546 -2.807
88 2HB LEU 11 HB1 LEU 11 -5.523 -5.928 -3.830
89 HG LEU 11 HG LEU 11 -3.429 -4.041 -2.751
90 1HD1 LEU 11 HD11 LEU 11 -4.665 -6.494 -1.668
91 2HD1 LEU 11 HD12 LEU 11 -3.921 -5.130 -0.834
92 3HD1 LEU 11 HD13 LEU 11 -2.909 -6.379 -1.558
93 1HD2 LEU 11 HD21 LEU 11 -2.751 -6.737 -3.735
94 2HD2 LEU 11 HD22 LEU 11 -1.868 -5.218 -3.880
95 3HD2 LEU 11 HD23 LEU 11 -3.220 -5.558 -4.959
96 H TRP 12 HN TRP 12 -6.275 -1.698 -4.799
97 HA TRP 12 HA TRP 12 -8.986 -2.591 -5.501
98 1HB TRP 12 HB2 TRP 12 -8.205 -1.503 -3.021
99 2HB TRP 12 HB1 TRP 12 -9.072 -0.221 -3.860
100 HD1 TRP 12 HD1 TRP 12 -9.593 -3.578 -2.175
101 HE1 TRP 12 HE1 TRP 12 -12.117 -4.052 -2.004
102 HE3 TRP 12 HE3 TRP 12 -11.337 0.241 -5.093
103 HZ2 TRP 12 HZ2 TRP 12 -14.528 -2.954 -2.978
104 HZ3 TRP 12 HZ3 TRP 12 -13.766 0.459 -5.423
105 HH2 TRP 12 HH2 TRP 12 -15.327 -1.107 -4.387
106 H ASN 13 HN ASN 13 -6.853 -1.509 -7.156
107 HA ASN 13 HA ASN 13 -7.913 1.140 -7.849
108 1HB ASN 13 HB2 ASN 13 -5.276 -0.191 -8.176
109 2HB ASN 13 HB1 ASN 13 -5.769 0.921 -9.449
110 1HD2 ASN 13 HD21 ASN 13 -3.953 2.196 -8.778
111 2HD2 ASN 13 HD22 ASN 13 -4.099 3.256 -7.422
Start of MODEL 9
1 1H GLU 1 HT1 GLU 1 1.523 6.926 5.306
2 2H GLU 1 HT2 GLU 1 1.795 6.060 6.763
3 3H GLU 1 HT3 GLU 1 2.015 5.285 5.248
4 HA GLU 1 HA GLU 1 3.554 7.646 6.057
5 1HB GLU 1 HB2 GLU 1 5.334 5.939 6.640
6 2HB GLU 1 HB1 GLU 1 3.987 6.050 7.766
7 1HG GLU 1 HG2 GLU 1 3.597 4.079 5.647
8 2HG GLU 1 HG1 GLU 1 4.974 3.747 6.696
9 H LEU 2 HN LEU 2 5.902 7.028 5.061
10 HA LEU 2 HA LEU 2 5.374 6.531 2.210
11 1HB LEU 2 HB2 LEU 2 7.310 7.868 1.722
12 2HB LEU 2 HB1 LEU 2 6.255 8.761 2.801
13 HG LEU 2 HG LEU 2 8.147 7.316 4.384
14 1HD1 LEU 2 HD11 LEU 2 10.228 8.023 3.611
15 2HD1 LEU 2 HD12 LEU 2 9.522 9.175 2.478
16 3HD1 LEU 2 HD13 LEU 2 9.413 7.444 2.159
17 1HD2 LEU 2 HD21 LEU 2 6.835 9.668 4.510
18 2HD2 LEU 2 HD22 LEU 2 8.441 10.226 4.039
19 3HD2 LEU 2 HD23 LEU 2 8.234 9.268 5.506
20 H LEU 3 HN LEU 3 5.714 4.376 4.045
21 HA LEU 3 HA LEU 3 8.419 3.396 3.674
22 1HB LEU 3 HB2 LEU 3 6.178 2.790 5.400
23 2HB LEU 3 HB1 LEU 3 6.830 1.327 4.688
24 HG LEU 3 HG LEU 3 8.769 3.235 5.884
25 1HD1 LEU 3 HD11 LEU 3 7.229 1.339 7.630
26 2HD1 LEU 3 HD12 LEU 3 6.786 3.038 7.460
27 3HD1 LEU 3 HD13 LEU 3 8.366 2.599 8.107
28 1HD2 LEU 3 HD21 LEU 3 9.881 1.407 5.096
29 2HD2 LEU 3 HD22 LEU 3 8.519 0.320 5.370
30 3HD2 LEU 3 HD23 LEU 3 9.517 0.842 6.727
31 H GLU 4 HN GLU 4 8.399 0.869 3.122
32 HA GLU 4 HA GLU 4 7.410 0.740 0.398
33 1HB GLU 4 HB2 GLU 4 9.463 -0.655 1.995
34 2HB GLU 4 HB1 GLU 4 8.656 -1.641 0.784
35 1HG GLU 4 HG2 GLU 4 9.868 1.025 0.133
36 2HG GLU 4 HG1 GLU 4 10.794 -0.474 0.091
37 H LEU 5 HN LEU 5 6.208 -0.113 3.395
38 HA LEU 5 HA LEU 5 4.883 -2.535 2.535
39 1HB LEU 5 HB2 LEU 5 3.868 -2.498 4.792
40 2HB LEU 5 HB1 LEU 5 5.623 -2.494 4.801
41 HG LEU 5 HG LEU 5 4.887 0.192 4.811
42 1HD1 LEU 5 HD11 LEU 5 2.642 -0.268 5.432
43 2HD1 LEU 5 HD12 LEU 5 3.477 0.278 6.886
44 3HD1 LEU 5 HD13 LEU 5 3.152 -1.439 6.649
45 1HD2 LEU 5 HD21 LEU 5 6.824 -0.578 5.934
46 2HD2 LEU 5 HD22 LEU 5 5.884 -1.671 6.951
47 3HD2 LEU 5 HD23 LEU 5 5.755 0.073 7.177
48 H ASP 6 HN ASP 6 4.352 0.447 1.625
49 HA ASP 6 HA ASP 6 1.514 0.646 2.185
50 1HB ASP 6 HB2 ASP 6 3.471 2.393 0.705
51 2HB ASP 6 HB1 ASP 6 1.737 2.701 0.667
52 H LYS 7 HN LYS 7 2.809 -1.509 0.415
53 HA LYS 7 HA LYS 7 1.800 -1.000 -2.213
54 1HB LYS 7 HB2 LYS 7 2.695 -3.595 -0.950
55 2HB LYS 7 HB1 LYS 7 2.409 -3.337 -2.665
56 1HG LYS 7 HG2 LYS 7 4.311 -1.478 -1.410
57 2HG LYS 7 HG1 LYS 7 4.825 -3.165 -1.486
58 1HD LYS 7 HD2 LYS 7 4.742 -3.212 -3.815
59 2HD LYS 7 HD1 LYS 7 3.692 -1.795 -3.899
60 1HE LYS 7 HE2 LYS 7 6.607 -1.850 -3.131
61 2HE LYS 7 HE1 LYS 7 5.917 -1.192 -4.614
62 1HZ LYS 7 HZ1 LYS 7 4.573 0.252 -2.922
63 2HZ LYS 7 HZ2 LYS 7 6.144 0.691 -3.372
64 3HZ LYS 7 HZ3 LYS 7 5.875 -0.093 -1.897
65 H TRP 8 HN TRP 8 0.223 -1.666 0.612
66 HA TRP 8 HA TRP 8 -1.697 -3.570 -0.300
67 1HB TRP 8 HB2 TRP 8 -1.230 -1.981 2.132
68 2HB TRP 8 HB1 TRP 8 -2.927 -2.304 1.788
69 HD1 TRP 8 HD1 TRP 8 -0.625 -3.644 3.994
70 HE1 TRP 8 HE1 TRP 8 -0.815 -6.192 4.306
71 HE3 TRP 8 HE3 TRP 8 -3.324 -4.776 -0.198
72 HZ2 TRP 8 HZ2 TRP 8 -1.958 -8.391 2.953
73 HZ3 TRP 8 HZ3 TRP 8 -3.925 -7.125 -0.616
74 HH2 TRP 8 HH2 TRP 8 -3.255 -8.894 0.928
75 H ALA 9 HN ALA 9 -1.219 -0.364 -1.078
76 HA ALA 9 HA ALA 9 -4.000 0.383 -1.315
77 1HB ALA 9 HB1 ALA 9 -1.418 1.738 -2.025
78 2HB ALA 9 HB2 ALA 9 -2.593 2.180 -0.786
79 3HB ALA 9 HB3 ALA 9 -2.982 2.405 -2.492
80 H SER 10 HN SER 10 -2.191 -1.709 -3.033
81 HA SER 10 HA SER 10 -2.737 -0.867 -5.708
82 1HB SER 10 HB2 SER 10 -1.733 -2.887 -6.397
83 2HB SER 10 HB1 SER 10 -0.880 -2.458 -4.915
84 HG SER 10 HG SER 10 -2.381 -3.893 -3.825
85 H LEU 11 HN LEU 11 -4.712 -2.086 -3.309
86 HA LEU 11 HA LEU 11 -6.431 -3.641 -5.051
87 1HB LEU 11 HB2 LEU 11 -7.226 -2.818 -2.295
88 2HB LEU 11 HB1 LEU 11 -7.577 -4.305 -3.155
89 HG LEU 11 HG LEU 11 -4.849 -3.583 -2.088
90 1HD1 LEU 11 HD11 LEU 11 -5.306 -4.588 -0.120
91 2HD1 LEU 11 HD12 LEU 11 -6.432 -5.737 -0.842
92 3HD1 LEU 11 HD13 LEU 11 -6.953 -4.086 -0.502
93 1HD2 LEU 11 HD21 LEU 11 -5.912 -6.260 -2.961
94 2HD2 LEU 11 HD22 LEU 11 -4.247 -5.826 -2.574
95 3HD2 LEU 11 HD23 LEU 11 -5.012 -5.180 -4.026
96 H TRP 12 HN TRP 12 -5.954 -0.437 -4.668
97 HA TRP 12 HA TRP 12 -8.777 0.316 -4.791
98 1HB TRP 12 HB2 TRP 12 -6.249 1.947 -4.514
99 2HB TRP 12 HB1 TRP 12 -7.844 2.664 -4.719
100 HD1 TRP 12 HD1 TRP 12 -7.226 -0.380 -2.455
101 HE1 TRP 12 HE1 TRP 12 -7.735 0.300 -0.025
102 HE3 TRP 12 HE3 TRP 12 -7.994 4.627 -3.154
103 HZ2 TRP 12 HZ2 TRP 12 -8.377 2.647 1.406
104 HZ3 TRP 12 HZ3 TRP 12 -8.552 6.018 -1.203
105 HH2 TRP 12 HH2 TRP 12 -8.740 5.047 1.029
106 H ASN 13 HN ASN 13 -7.474 -1.114 -6.982
107 HA ASN 13 HA ASN 13 -7.554 0.947 -9.082
108 1HB ASN 13 HB2 ASN 13 -5.868 -1.399 -8.655
109 2HB ASN 13 HB1 ASN 13 -6.569 -1.355 -10.270
110 1HD2 ASN 13 HD21 ASN 13 -3.849 -1.137 -9.807
111 2HD2 ASN 13 HD22 ASN 13 -3.330 0.451 -10.249
Start of MODEL 10
1 1H GLU 1 HT1 GLU 1 5.193 10.117 7.226
2 2H GLU 1 HT2 GLU 1 5.906 10.578 5.734
3 3H GLU 1 HT3 GLU 1 6.734 9.507 6.789
4 HA GLU 1 HA GLU 1 4.777 7.996 6.532
5 1HB GLU 1 HB2 GLU 1 3.710 10.157 5.281
6 2HB GLU 1 HB1 GLU 1 4.318 9.259 3.898
7 1HG GLU 1 HG2 GLU 1 3.036 7.345 5.433
8 2HG GLU 1 HG1 GLU 1 2.002 8.767 5.557
9 H LEU 2 HN LEU 2 6.637 6.713 6.428
10 HA LEU 2 HA LEU 2 7.752 6.401 3.720
11 1HB LEU 2 HB2 LEU 2 9.127 6.502 6.370
12 2HB LEU 2 HB1 LEU 2 9.801 5.496 5.101
13 HG LEU 2 HG LEU 2 10.917 7.621 5.074
14 1HD1 LEU 2 HD11 LEU 2 9.145 8.053 2.760
15 2HD1 LEU 2 HD12 LEU 2 9.865 6.449 2.894
16 3HD1 LEU 2 HD13 LEU 2 10.898 7.877 2.835
17 1HD2 LEU 2 HD21 LEU 2 8.340 9.033 4.498
18 2HD2 LEU 2 HD22 LEU 2 9.882 9.700 5.036
19 3HD2 LEU 2 HD23 LEU 2 8.880 8.778 6.158
20 H LEU 3 HN LEU 3 5.510 5.010 4.607
21 HA LEU 3 HA LEU 3 6.344 2.407 5.549
22 1HB LEU 3 HB2 LEU 3 3.820 3.828 5.143
23 2HB LEU 3 HB1 LEU 3 3.739 2.134 4.696
24 HG LEU 3 HG LEU 3 3.028 2.338 6.970
25 1HD1 LEU 3 HD11 LEU 3 4.217 0.601 7.792
26 2HD1 LEU 3 HD12 LEU 3 5.771 1.372 7.477
27 3HD1 LEU 3 HD13 LEU 3 4.892 0.592 6.162
28 1HD2 LEU 3 HD21 LEU 3 5.358 4.146 7.160
29 2HD2 LEU 3 HD22 LEU 3 5.009 3.152 8.574
30 3HD2 LEU 3 HD23 LEU 3 3.778 4.242 7.937
31 H GLU 4 HN GLU 4 6.885 0.723 4.326
32 HA GLU 4 HA GLU 4 6.815 1.002 1.441
33 1HB GLU 4 HB2 GLU 4 8.680 -0.034 3.079
34 2HB GLU 4 HB1 GLU 4 7.803 -1.504 2.677
35 1HG GLU 4 HG2 GLU 4 8.548 -1.530 0.559
36 2HG GLU 4 HG1 GLU 4 8.474 0.224 0.398
37 H LEU 5 HN LEU 5 4.519 0.108 3.515
38 HA LEU 5 HA LEU 5 3.672 -2.335 2.217
39 1HB LEU 5 HB2 LEU 5 1.796 -2.288 3.783
40 2HB LEU 5 HB1 LEU 5 3.346 -2.163 4.598
41 HG LEU 5 HG LEU 5 2.732 0.448 4.251
42 1HD1 LEU 5 HD11 LEU 5 0.301 0.486 5.178
43 2HD1 LEU 5 HD12 LEU 5 0.180 -1.091 4.397
44 3HD1 LEU 5 HD13 LEU 5 0.577 0.338 3.443
45 1HD2 LEU 5 HD21 LEU 5 2.346 0.514 6.590
46 2HD2 LEU 5 HD22 LEU 5 3.477 -0.810 6.306
47 3HD2 LEU 5 HD23 LEU 5 1.774 -1.154 6.610
48 H ASP 6 HN ASP 6 3.720 0.485 0.931
49 HA ASP 6 HA ASP 6 1.023 1.148 0.385
50 1HB ASP 6 HB2 ASP 6 3.492 2.316 -0.097
51 2HB ASP 6 HB1 ASP 6 2.893 1.931 -1.707
52 H LYS 7 HN LYS 7 2.900 -1.431 -0.666
53 HA LYS 7 HA LYS 7 2.104 -1.730 -3.329
54 1HB LYS 7 HB2 LYS 7 2.689 -3.931 -1.347
55 2HB LYS 7 HB1 LYS 7 2.739 -4.066 -3.100
56 1HG LYS 7 HG2 LYS 7 4.726 -2.952 -3.271
57 2HG LYS 7 HG1 LYS 7 4.463 -2.030 -1.789
58 1HD LYS 7 HD2 LYS 7 6.219 -3.619 -1.396
59 2HD LYS 7 HD1 LYS 7 4.790 -4.135 -0.499
60 1HE LYS 7 HE2 LYS 7 4.339 -5.490 -2.731
61 2HE LYS 7 HE1 LYS 7 6.091 -5.351 -2.879
62 1HZ LYS 7 HZ1 LYS 7 4.506 -6.892 -0.998
63 2HZ LYS 7 HZ2 LYS 7 5.866 -6.129 -0.345
64 3HZ LYS 7 HZ3 LYS 7 6.041 -7.207 -1.636
65 H TRP 8 HN TRP 8 0.331 -2.057 -0.450
66 HA TRP 8 HA TRP 8 -1.687 -3.800 -1.587
67 1HB TRP 8 HB2 TRP 8 -0.844 -3.435 0.965
68 2HB TRP 8 HB1 TRP 8 -2.263 -2.392 0.947
69 HD1 TRP 8 HD1 TRP 8 -1.251 -6.074 0.630
70 HE1 TRP 8 HE1 TRP 8 -3.341 -7.532 0.989
71 HE3 TRP 8 HE3 TRP 8 -4.796 -2.393 0.765
72 HZ2 TRP 8 HZ2 TRP 8 -6.124 -7.170 1.289
73 HZ3 TRP 8 HZ3 TRP 8 -7.149 -3.033 1.092
74 HH2 TRP 8 HH2 TRP 8 -7.798 -5.373 1.348
75 H ALA 9 HN ALA 9 -0.978 -0.590 -1.889
76 HA ALA 9 HA ALA 9 -3.618 0.517 -1.701
77 1HB ALA 9 HB1 ALA 9 -1.778 1.979 -1.295
78 2HB ALA 9 HB2 ALA 9 -2.556 2.505 -2.788
79 3HB ALA 9 HB3 ALA 9 -1.050 1.590 -2.854
80 H SER 10 HN SER 10 -1.640 -0.891 -4.215
81 HA SER 10 HA SER 10 -3.219 0.025 -6.403
82 1HB SER 10 HB2 SER 10 -0.748 -1.056 -6.225
83 2HB SER 10 HB1 SER 10 -1.667 -2.473 -6.735
84 HG SER 10 HG SER 10 -1.831 0.033 -8.045
85 H LEU 11 HN LEU 11 -3.818 -2.262 -4.026
86 HA LEU 11 HA LEU 11 -5.372 -4.048 -5.699
87 1HB LEU 11 HB2 LEU 11 -5.512 -4.130 -2.725
88 2HB LEU 11 HB1 LEU 11 -5.537 -5.449 -3.879
89 HG LEU 11 HG LEU 11 -3.106 -3.848 -3.080
90 1HD1 LEU 11 HD11 LEU 11 -4.179 -5.584 -1.477
91 2HD1 LEU 11 HD12 LEU 11 -2.441 -5.634 -1.774
92 3HD1 LEU 11 HD13 LEU 11 -3.510 -6.769 -2.598
93 1HD2 LEU 11 HD21 LEU 11 -1.828 -5.262 -4.487
94 2HD2 LEU 11 HD22 LEU 11 -3.173 -4.671 -5.462
95 3HD2 LEU 11 HD23 LEU 11 -3.211 -6.308 -4.809
96 H TRP 12 HN TRP 12 -5.906 -1.049 -4.498
97 HA TRP 12 HA TRP 12 -8.724 -1.516 -3.850
98 1HB TRP 12 HB2 TRP 12 -6.737 0.536 -3.139
99 2HB TRP 12 HB1 TRP 12 -8.339 1.169 -3.501
100 HD1 TRP 12 HD1 TRP 12 -7.868 -2.215 -1.761
101 HE1 TRP 12 HE1 TRP 12 -8.818 -2.045 0.625
102 HE3 TRP 12 HE3 TRP 12 -8.858 2.800 -1.635
103 HZ2 TRP 12 HZ2 TRP 12 -9.850 -0.050 2.335
104 HZ3 TRP 12 HZ3 TRP 12 -9.827 3.759 0.414
105 HH2 TRP 12 HH2 TRP 12 -10.312 2.362 2.356
106 H ASN 13 HN ASN 13 -7.686 -1.731 -6.571
107 HA ASN 13 HA ASN 13 -8.642 0.634 -7.947
108 1HB ASN 13 HB2 ASN 13 -6.667 -0.965 -8.618
109 2HB ASN 13 HB1 ASN 13 -7.953 -1.918 -9.354
110 1HD2 ASN 13 HD21 ASN 13 -5.706 -0.375 -10.513
111 2HD2 ASN 13 HD22 ASN 13 -6.435 0.698 -11.654
Start of MODEL 11
1 1H GLU 1 HT1 GLU 1 1.970 7.968 2.223
2 2H GLU 1 HT2 GLU 1 2.351 6.308 2.437
3 3H GLU 1 HT3 GLU 1 3.217 7.248 1.292
4 HA GLU 1 HA GLU 1 3.887 8.679 3.212
5 1HB GLU 1 HB2 GLU 1 2.055 7.211 4.543
6 2HB GLU 1 HB1 GLU 1 3.500 6.280 4.913
7 1HG GLU 1 HG2 GLU 1 4.456 7.983 6.121
8 2HG GLU 1 HG1 GLU 1 3.536 9.235 5.288
9 H LEU 2 HN LEU 2 5.804 7.731 4.679
10 HA LEU 2 HA LEU 2 7.742 6.778 2.906
11 1HB LEU 2 HB2 LEU 2 7.571 7.209 5.833
12 2HB LEU 2 HB1 LEU 2 8.850 6.150 5.271
13 HG LEU 2 HG LEU 2 8.481 8.892 4.100
14 1HD1 LEU 2 HD11 LEU 2 8.748 9.504 6.312
15 2HD1 LEU 2 HD12 LEU 2 10.413 9.449 5.734
16 3HD1 LEU 2 HD13 LEU 2 9.765 8.112 6.683
17 1HD2 LEU 2 HD21 LEU 2 11.121 7.623 4.444
18 2HD2 LEU 2 HD22 LEU 2 10.469 8.545 3.089
19 3HD2 LEU 2 HD23 LEU 2 10.031 6.849 3.293
20 H LEU 3 HN LEU 3 5.409 5.083 4.805
21 HA LEU 3 HA LEU 3 6.613 2.613 5.175
22 1HB LEU 3 HB2 LEU 3 3.765 3.439 4.724
23 2HB LEU 3 HB1 LEU 3 4.185 1.746 4.896
24 HG LEU 3 HG LEU 3 5.346 2.539 7.103
25 1HD1 LEU 3 HD11 LEU 3 5.204 4.819 7.155
26 2HD1 LEU 3 HD12 LEU 3 3.731 4.399 8.029
27 3HD1 LEU 3 HD13 LEU 3 3.647 4.853 6.327
28 1HD2 LEU 3 HD21 LEU 3 3.668 1.056 7.488
29 2HD2 LEU 3 HD22 LEU 3 2.503 1.947 6.509
30 3HD2 LEU 3 HD23 LEU 3 2.898 2.504 8.135
31 H GLU 4 HN GLU 4 7.495 1.266 3.769
32 HA GLU 4 HA GLU 4 6.881 1.448 0.951
33 1HB GLU 4 HB2 GLU 4 9.197 1.051 2.068
34 2HB GLU 4 HB1 GLU 4 8.679 -0.626 2.160
35 1HG GLU 4 HG2 GLU 4 8.871 -0.955 -0.064
36 2HG GLU 4 HG1 GLU 4 8.389 0.693 -0.462
37 H LEU 5 HN LEU 5 5.809 -0.416 3.605
38 HA LEU 5 HA LEU 5 5.033 -2.700 2.019
39 1HB LEU 5 HB2 LEU 5 3.963 -3.457 4.162
40 2HB LEU 5 HB1 LEU 5 5.703 -3.233 4.210
41 HG LEU 5 HG LEU 5 4.451 -0.789 4.951
42 1HD1 LEU 5 HD11 LEU 5 3.523 -3.180 6.536
43 2HD1 LEU 5 HD12 LEU 5 2.506 -2.126 5.554
44 3HD1 LEU 5 HD13 LEU 5 3.303 -1.491 6.993
45 1HD2 LEU 5 HD21 LEU 5 6.730 -1.935 5.533
46 2HD2 LEU 5 HD22 LEU 5 5.819 -2.589 6.894
47 3HD2 LEU 5 HD23 LEU 5 5.960 -0.843 6.684
48 H ASP 6 HN ASP 6 3.848 0.258 2.023
49 HA ASP 6 HA ASP 6 1.035 -0.357 2.369
50 1HB ASP 6 HB2 ASP 6 2.619 2.125 1.861
51 2HB ASP 6 HB1 ASP 6 0.907 2.114 1.450
52 H LYS 7 HN LYS 7 2.954 -1.323 0.068
53 HA LYS 7 HA LYS 7 1.724 -0.275 -2.294
54 1HB LYS 7 HB2 LYS 7 3.477 -2.708 -1.929
55 2HB LYS 7 HB1 LYS 7 3.036 -1.991 -3.472
56 1HG LYS 7 HG2 LYS 7 4.174 0.094 -2.779
57 2HG LYS 7 HG1 LYS 7 4.698 -0.724 -1.306
58 1HD LYS 7 HD2 LYS 7 6.344 -1.806 -2.369
59 2HD LYS 7 HD1 LYS 7 5.298 -2.240 -3.722
60 1HE LYS 7 HE2 LYS 7 6.485 0.503 -3.346
61 2HE LYS 7 HE1 LYS 7 7.255 -0.768 -4.296
62 1HZ LYS 7 HZ1 LYS 7 5.684 -0.631 -5.925
63 2HZ LYS 7 HZ2 LYS 7 5.683 0.980 -5.408
64 3HZ LYS 7 HZ3 LYS 7 4.468 -0.076 -4.887
65 H TRP 8 HN TRP 8 0.597 -2.384 -0.004
66 HA TRP 8 HA TRP 8 -0.722 -4.240 -1.778
67 1HB TRP 8 HB2 TRP 8 0.032 -4.931 0.473
68 2HB TRP 8 HB1 TRP 8 -1.109 -3.798 1.189
69 HD1 TRP 8 HD1 TRP 8 -3.038 -5.153 2.174
70 HE1 TRP 8 HE1 TRP 8 -4.490 -7.132 1.399
71 HE3 TRP 8 HE3 TRP 8 -0.724 -6.169 -2.272
72 HZ2 TRP 8 HZ2 TRP 8 -4.636 -8.890 -0.805
73 HZ3 TRP 8 HZ3 TRP 8 -1.582 -8.016 -3.653
74 HH2 TRP 8 HH2 TRP 8 -3.497 -9.347 -2.933
75 H ALA 9 HN ALA 9 -1.277 -1.079 -1.129
76 HA ALA 9 HA ALA 9 -4.160 -1.223 -0.857
77 1HB ALA 9 HB1 ALA 9 -2.902 1.370 -1.462
78 2HB ALA 9 HB2 ALA 9 -2.375 0.586 0.026
79 3HB ALA 9 HB3 ALA 9 -4.084 0.939 -0.226
80 H SER 10 HN SER 10 -2.363 -1.937 -3.375
81 HA SER 10 HA SER 10 -3.592 -0.231 -5.370
82 1HB SER 10 HB2 SER 10 -2.293 -1.755 -6.959
83 2HB SER 10 HB1 SER 10 -1.337 -0.772 -5.850
84 HG SER 10 HG SER 10 -2.095 -3.435 -5.265
85 H LEU 11 HN LEU 11 -4.960 -2.484 -3.638
86 HA LEU 11 HA LEU 11 -6.008 -4.213 -5.694
87 1HB LEU 11 HB2 LEU 11 -7.223 -5.302 -3.947
88 2HB LEU 11 HB1 LEU 11 -5.584 -5.012 -3.393
89 HG LEU 11 HG LEU 11 -6.975 -2.769 -2.554
90 1HD1 LEU 11 HD11 LEU 11 -8.955 -3.476 -1.483
91 2HD1 LEU 11 HD12 LEU 11 -8.621 -5.174 -1.823
92 3HD1 LEU 11 HD13 LEU 11 -9.055 -4.080 -3.136
93 1HD2 LEU 11 HD21 LEU 11 -5.242 -4.477 -1.477
94 2HD2 LEU 11 HD22 LEU 11 -6.708 -5.048 -0.680
95 3HD2 LEU 11 HD23 LEU 11 -6.204 -3.368 -0.502
96 H TRP 12 HN TRP 12 -6.610 -1.094 -5.012
97 HA TRP 12 HA TRP 12 -9.124 -1.107 -6.365
98 1HB TRP 12 HB2 TRP 12 -9.678 -1.674 -3.922
99 2HB TRP 12 HB1 TRP 12 -9.217 -0.014 -3.558
100 HD1 TRP 12 HD1 TRP 12 -11.600 -1.698 -6.138
101 HE1 TRP 12 HE1 TRP 12 -13.767 -0.313 -6.220
102 HE3 TRP 12 HE3 TRP 12 -10.371 1.933 -2.754
103 HZ2 TRP 12 HZ2 TRP 12 -14.818 2.011 -5.010
104 HZ3 TRP 12 HZ3 TRP 12 -12.014 3.701 -2.274
105 HH2 TRP 12 HH2 TRP 12 -14.190 3.738 -3.379
106 H ASN 13 HN ASN 13 -6.492 0.068 -6.640
107 HA ASN 13 HA ASN 13 -5.525 2.026 -7.272
108 1HB ASN 13 HB2 ASN 13 -7.883 2.114 -8.433
109 2HB ASN 13 HB1 ASN 13 -8.184 3.403 -7.271
110 1HD2 ASN 13 HD21 ASN 13 -6.737 2.544 -10.211
111 2HD2 ASN 13 HD22 ASN 13 -5.962 4.051 -10.547
Start of MODEL 12
1 1H GLU 1 HT1 GLU 1 5.133 6.867 5.484
2 2H GLU 1 HT2 GLU 1 3.456 6.524 5.372
3 3H GLU 1 HT3 GLU 1 3.989 7.974 6.120
4 HA GLU 1 HA GLU 1 3.087 8.112 3.801
5 1HB GLU 1 HB2 GLU 1 4.974 9.738 3.219
6 2HB GLU 1 HB1 GLU 1 4.140 9.996 4.745
7 1HG GLU 1 HG2 GLU 1 6.045 8.612 5.776
8 2HG GLU 1 HG1 GLU 1 6.890 8.924 4.261
9 H LEU 2 HN LEU 2 6.465 6.985 4.076
10 HA LEU 2 HA LEU 2 6.246 5.946 1.332
11 1HB LEU 2 HB2 LEU 2 8.721 6.602 2.932
12 2HB LEU 2 HB1 LEU 2 8.701 6.000 1.285
13 HG LEU 2 HG LEU 2 7.106 8.415 1.570
14 1HD1 LEU 2 HD11 LEU 2 8.649 9.960 2.260
15 2HD1 LEU 2 HD12 LEU 2 10.023 8.923 1.876
16 3HD1 LEU 2 HD13 LEU 2 9.053 8.605 3.314
17 1HD2 LEU 2 HD21 LEU 2 8.236 9.049 -0.409
18 2HD2 LEU 2 HD22 LEU 2 7.967 7.311 -0.530
19 3HD2 LEU 2 HD23 LEU 2 9.561 7.928 -0.098
20 H LEU 3 HN LEU 3 5.235 4.597 3.704
21 HA LEU 3 HA LEU 3 7.012 2.554 4.529
22 1HB LEU 3 HB2 LEU 3 4.083 3.043 4.725
23 2HB LEU 3 HB1 LEU 3 4.657 1.411 5.008
24 HG LEU 3 HG LEU 3 6.055 3.570 6.479
25 1HD1 LEU 3 HD11 LEU 3 3.181 2.846 6.910
26 2HD1 LEU 3 HD12 LEU 3 3.938 4.439 6.887
27 3HD1 LEU 3 HD13 LEU 3 4.206 3.355 8.253
28 1HD2 LEU 3 HD21 LEU 3 6.607 1.898 7.877
29 2HD2 LEU 3 HD22 LEU 3 6.145 0.866 6.524
30 3HD2 LEU 3 HD23 LEU 3 4.996 1.181 7.825
31 H GLU 4 HN GLU 4 6.731 0.235 4.088
32 HA GLU 4 HA GLU 4 6.511 -0.209 1.230
33 1HB GLU 4 HB2 GLU 4 8.412 -1.141 2.496
34 2HB GLU 4 HB1 GLU 4 7.294 -2.114 3.442
35 1HG GLU 4 HG2 GLU 4 7.426 -3.719 1.935
36 2HG GLU 4 HG1 GLU 4 6.753 -2.633 0.721
37 H LEU 5 HN LEU 5 4.590 -0.666 4.039
38 HA LEU 5 HA LEU 5 3.004 -2.799 2.954
39 1HB LEU 5 HB2 LEU 5 1.712 -2.672 4.943
40 2HB LEU 5 HB1 LEU 5 3.401 -2.506 5.388
41 HG LEU 5 HG LEU 5 2.201 0.066 4.894
42 1HD1 LEU 5 HD11 LEU 5 1.046 -1.270 7.298
43 2HD1 LEU 5 HD12 LEU 5 0.239 -1.424 5.738
44 3HD1 LEU 5 HD13 LEU 5 0.498 0.172 6.442
45 1HD2 LEU 5 HD21 LEU 5 3.205 -0.932 7.529
46 2HD2 LEU 5 HD22 LEU 5 3.343 0.676 6.818
47 3HD2 LEU 5 HD23 LEU 5 4.319 -0.653 6.191
48 H ASP 6 HN ASP 6 3.203 0.322 2.112
49 HA ASP 6 HA ASP 6 0.366 0.863 1.864
50 1HB ASP 6 HB2 ASP 6 2.822 2.426 1.067
51 2HB ASP 6 HB1 ASP 6 1.182 2.966 0.721
52 H LYS 7 HN LYS 7 2.560 -0.931 0.139
53 HA LYS 7 HA LYS 7 1.869 -0.216 -2.520
54 1HB LYS 7 HB2 LYS 7 2.961 -2.854 -1.541
55 2HB LYS 7 HB1 LYS 7 3.030 -2.231 -3.184
56 1HG LYS 7 HG2 LYS 7 4.216 -0.276 -1.554
57 2HG LYS 7 HG1 LYS 7 4.852 -1.831 -1.014
58 1HD LYS 7 HD2 LYS 7 5.507 -2.370 -3.300
59 2HD LYS 7 HD1 LYS 7 4.832 -0.841 -3.866
60 1HE LYS 7 HE2 LYS 7 6.432 0.347 -2.382
61 2HE LYS 7 HE1 LYS 7 7.156 -1.210 -1.980
62 1HZ LYS 7 HZ1 LYS 7 7.305 -1.361 -4.590
63 2HZ LYS 7 HZ2 LYS 7 8.500 -0.582 -3.681
64 3HZ LYS 7 HZ3 LYS 7 7.307 0.327 -4.463
65 H TRP 8 HN TRP 8 0.122 -1.778 -0.130
66 HA TRP 8 HA TRP 8 -1.348 -3.554 -1.869
67 1HB TRP 8 HB2 TRP 8 -1.663 -2.786 1.033
68 2HB TRP 8 HB1 TRP 8 -2.786 -3.861 0.205
69 HD1 TRP 8 HD1 TRP 8 0.144 -4.034 2.327
70 HE1 TRP 8 HE1 TRP 8 1.327 -6.311 2.131
71 HE3 TRP 8 HE3 TRP 8 -2.099 -5.751 -1.934
72 HZ2 TRP 8 HZ2 TRP 8 1.312 -8.540 0.399
73 HZ3 TRP 8 HZ3 TRP 8 -1.458 -7.965 -2.795
74 HH2 TRP 8 HH2 TRP 8 0.213 -9.330 -1.651
75 H ALA 9 HN ALA 9 -1.373 -0.285 -1.483
76 HA ALA 9 HA ALA 9 -4.242 0.108 -1.540
77 1HB ALA 9 HB1 ALA 9 -2.449 2.357 -2.203
78 2HB ALA 9 HB2 ALA 9 -2.256 1.651 -0.598
79 3HB ALA 9 HB3 ALA 9 -3.823 2.285 -1.100
80 H SER 10 HN SER 10 -1.528 0.161 -3.778
81 HA SER 10 HA SER 10 -3.002 1.228 -5.968
82 1HB SER 10 HB2 SER 10 -0.950 0.038 -7.214
83 2HB SER 10 HB1 SER 10 -0.775 1.572 -6.361
84 HG SER 10 HG SER 10 0.717 -0.344 -5.901
85 H LEU 11 HN LEU 11 -2.523 -1.924 -4.668
86 HA LEU 11 HA LEU 11 -3.546 -3.267 -7.027
87 1HB LEU 11 HB2 LEU 11 -3.134 -4.603 -4.380
88 2HB LEU 11 HB1 LEU 11 -2.999 -5.282 -5.991
89 HG LEU 11 HG LEU 11 -1.061 -3.197 -5.042
90 1HD1 LEU 11 HD11 LEU 11 -1.264 -6.020 -4.205
91 2HD1 LEU 11 HD12 LEU 11 -0.531 -4.640 -3.388
92 3HD1 LEU 11 HD13 LEU 11 0.335 -5.457 -4.689
93 1HD2 LEU 11 HD21 LEU 11 0.134 -3.727 -6.882
94 2HD2 LEU 11 HD22 LEU 11 -1.433 -4.271 -7.479
95 3HD2 LEU 11 HD23 LEU 11 -0.295 -5.436 -6.802
96 H TRP 12 HN TRP 12 -4.920 -1.584 -4.561
97 HA TRP 12 HA TRP 12 -7.499 -2.843 -5.015
98 1HB TRP 12 HB2 TRP 12 -6.632 -4.025 -3.045
99 2HB TRP 12 HB1 TRP 12 -6.360 -2.487 -2.233
100 HD1 TRP 12 HD1 TRP 12 -9.469 -4.081 -3.957
101 HE1 TRP 12 HE1 TRP 12 -11.480 -3.766 -2.382
102 HE3 TRP 12 HE3 TRP 12 -7.123 -1.646 -0.122
103 HZ2 TRP 12 HZ2 TRP 12 -12.003 -2.634 0.151
104 HZ3 TRP 12 HZ3 TRP 12 -8.450 -0.982 1.840
105 HH2 TRP 12 HH2 TRP 12 -10.839 -1.465 1.973
106 H ASN 13 HN ASN 13 -7.446 -0.703 -6.178
107 HA ASN 13 HA ASN 13 -7.645 1.669 -4.548
108 1HB ASN 13 HB2 ASN 13 -8.299 1.362 -7.483
109 2HB ASN 13 HB1 ASN 13 -7.956 2.859 -6.622
110 1HD2 ASN 13 HD21 ASN 13 -5.811 3.193 -5.827
111 2HD2 ASN 13 HD22 ASN 13 -4.470 2.438 -6.612
Start of MODEL 13
1 1H GLU 1 HT1 GLU 1 2.254 8.802 4.856
2 2H GLU 1 HT2 GLU 1 2.744 7.671 3.662
3 3H GLU 1 HT3 GLU 1 3.756 9.000 4.056
4 HA GLU 1 HA GLU 1 3.808 8.091 6.361
5 1HB GLU 1 HB2 GLU 1 3.061 5.521 4.991
6 2HB GLU 1 HB1 GLU 1 3.141 5.864 6.713
7 1HG GLU 1 HG2 GLU 1 1.111 7.083 4.861
8 2HG GLU 1 HG1 GLU 1 0.842 5.605 5.785
9 H LEU 2 HN LEU 2 4.618 7.269 3.096
10 HA LEU 2 HA LEU 2 6.564 6.660 2.090
11 1HB LEU 2 HB2 LEU 2 7.651 7.680 4.707
12 2HB LEU 2 HB1 LEU 2 8.687 7.122 3.408
13 HG LEU 2 HG LEU 2 7.320 8.885 1.996
14 1HD1 LEU 2 HD11 LEU 2 6.773 9.599 4.828
15 2HD1 LEU 2 HD12 LEU 2 5.758 9.780 3.398
16 3HD1 LEU 2 HD13 LEU 2 7.089 10.900 3.681
17 1HD2 LEU 2 HD21 LEU 2 9.825 8.758 2.966
18 2HD2 LEU 2 HD22 LEU 2 9.249 10.205 3.794
19 3HD2 LEU 2 HD23 LEU 2 9.208 10.122 2.032
20 H LEU 3 HN LEU 3 5.017 4.733 3.663
21 HA LEU 3 HA LEU 3 6.938 2.957 4.875
22 1HB LEU 3 HB2 LEU 3 4.260 3.349 5.210
23 2HB LEU 3 HB1 LEU 3 4.272 1.900 4.224
24 HG LEU 3 HG LEU 3 5.795 0.844 5.904
25 1HD1 LEU 3 HD11 LEU 3 5.301 3.452 7.292
26 2HD1 LEU 3 HD12 LEU 3 6.826 2.611 7.016
27 3HD1 LEU 3 HD13 LEU 3 5.675 1.987 8.198
28 1HD2 LEU 3 HD21 LEU 3 3.245 1.782 7.183
29 2HD2 LEU 3 HD22 LEU 3 4.058 0.227 7.360
30 3HD2 LEU 3 HD23 LEU 3 3.260 0.637 5.842
31 H GLU 4 HN GLU 4 7.425 0.839 4.148
32 HA GLU 4 HA GLU 4 7.597 0.653 1.258
33 1HB GLU 4 HB2 GLU 4 9.140 -0.280 3.468
34 2HB GLU 4 HB1 GLU 4 8.642 -1.677 2.525
35 1HG GLU 4 HG2 GLU 4 10.821 -0.783 1.836
36 2HG GLU 4 HG1 GLU 4 9.628 -0.751 0.538
37 H LEU 5 HN LEU 5 5.824 -0.786 3.880
38 HA LEU 5 HA LEU 5 4.823 -2.954 2.246
39 1HB LEU 5 HB2 LEU 5 3.470 -3.492 4.279
40 2HB LEU 5 HB1 LEU 5 5.210 -3.526 4.505
41 HG LEU 5 HG LEU 5 4.308 -0.908 5.099
42 1HD1 LEU 5 HD11 LEU 5 2.114 -1.630 5.535
43 2HD1 LEU 5 HD12 LEU 5 2.895 -1.538 7.113
44 3HD1 LEU 5 HD13 LEU 5 2.670 -3.103 6.330
45 1HD2 LEU 5 HD21 LEU 5 6.307 -2.130 5.967
46 2HD2 LEU 5 HD22 LEU 5 5.219 -3.055 7.003
47 3HD2 LEU 5 HD23 LEU 5 5.357 -1.308 7.205
48 H ASP 6 HN ASP 6 4.194 0.113 1.965
49 HA ASP 6 HA ASP 6 1.304 0.084 2.188
50 1HB ASP 6 HB2 ASP 6 3.375 2.144 1.587
51 2HB ASP 6 HB1 ASP 6 1.733 2.426 1.017
52 H LYS 7 HN LYS 7 3.079 -1.468 0.108
53 HA LYS 7 HA LYS 7 2.196 -0.453 -2.410
54 1HB LYS 7 HB2 LYS 7 4.306 -1.730 -2.089
55 2HB LYS 7 HB1 LYS 7 3.348 -3.165 -1.748
56 1HG LYS 7 HG2 LYS 7 2.715 -3.433 -3.918
57 2HG LYS 7 HG1 LYS 7 2.851 -1.713 -4.284
58 1HD LYS 7 HD2 LYS 7 4.762 -2.287 -5.314
59 2HD LYS 7 HD1 LYS 7 5.433 -2.359 -3.683
60 1HE LYS 7 HE2 LYS 7 5.034 -4.727 -3.566
61 2HE LYS 7 HE1 LYS 7 4.175 -4.700 -5.105
62 1HZ LYS 7 HZ1 LYS 7 7.028 -4.681 -4.577
63 2HZ LYS 7 HZ2 LYS 7 6.516 -3.659 -5.823
64 3HZ LYS 7 HZ3 LYS 7 6.173 -5.314 -5.893
65 H TRP 8 HN TRP 8 0.522 -1.978 -0.015
66 HA TRP 8 HA TRP 8 -1.002 -3.837 -1.570
67 1HB TRP 8 HB2 TRP 8 -1.232 -2.731 1.211
68 2HB TRP 8 HB1 TRP 8 -2.541 -3.683 0.519
69 HD1 TRP 8 HD1 TRP 8 0.966 -4.739 -0.423
70 HE1 TRP 8 HE1 TRP 8 1.537 -6.948 0.768
71 HE3 TRP 8 HE3 TRP 8 -3.034 -5.009 2.752
72 HZ2 TRP 8 HZ2 TRP 8 0.440 -8.586 2.786
73 HZ3 TRP 8 HZ3 TRP 8 -3.197 -6.930 4.281
74 HH2 TRP 8 HH2 TRP 8 -1.495 -8.681 4.295
75 H ALA 9 HN ALA 9 -0.965 -0.523 -1.543
76 HA ALA 9 HA ALA 9 -3.694 0.157 -1.545
77 1HB ALA 9 HB1 ALA 9 -1.551 1.645 -1.453
78 2HB ALA 9 HB2 ALA 9 -3.033 2.267 -2.180
79 3HB ALA 9 HB3 ALA 9 -1.731 1.667 -3.208
80 H SER 10 HN SER 10 -1.833 -1.553 -3.833
81 HA SER 10 HA SER 10 -3.014 -0.798 -6.244
82 1HB SER 10 HB2 SER 10 -1.050 -2.525 -5.583
83 2HB SER 10 HB1 SER 10 -2.350 -3.666 -5.923
84 HG SER 10 HG SER 10 -1.297 -1.680 -7.651
85 H LEU 11 HN LEU 11 -4.356 -2.481 -3.609
86 HA LEU 11 HA LEU 11 -6.358 -3.893 -5.122
87 1HB LEU 11 HB2 LEU 11 -6.539 -3.362 -2.180
88 2HB LEU 11 HB1 LEU 11 -7.126 -4.743 -3.087
89 HG LEU 11 HG LEU 11 -4.183 -4.218 -2.843
90 1HD1 LEU 11 HD11 LEU 11 -5.985 -5.556 -0.842
91 2HD1 LEU 11 HD12 LEU 11 -4.853 -4.231 -0.574
92 3HD1 LEU 11 HD13 LEU 11 -4.248 -5.850 -0.924
93 1HD2 LEU 11 HD21 LEU 11 -5.129 -5.875 -4.481
94 2HD2 LEU 11 HD22 LEU 11 -5.702 -6.804 -3.096
95 3HD2 LEU 11 HD23 LEU 11 -3.974 -6.534 -3.321
96 H TRP 12 HN TRP 12 -5.951 -0.713 -4.397
97 HA TRP 12 HA TRP 12 -8.845 -0.203 -4.230
98 1HB TRP 12 HB2 TRP 12 -6.888 0.748 -2.577
99 2HB TRP 12 HB1 TRP 12 -7.023 2.060 -3.743
100 HD1 TRP 12 HD1 TRP 12 -8.924 0.346 -0.927
101 HE1 TRP 12 HE1 TRP 12 -10.981 1.769 -0.320
102 HE3 TRP 12 HE3 TRP 12 -8.736 3.727 -4.759
103 HZ2 TRP 12 HZ2 TRP 12 -12.344 4.025 -1.331
104 HZ3 TRP 12 HZ3 TRP 12 -10.454 5.485 -4.866
105 HH2 TRP 12 HH2 TRP 12 -12.220 5.630 -3.187
106 H ASN 13 HN ASN 13 -8.149 -0.867 -6.684
107 HA ASN 13 HA ASN 13 -7.995 1.699 -8.122
108 1HB ASN 13 HB2 ASN 13 -6.734 -0.946 -8.854
109 2HB ASN 13 HB1 ASN 13 -6.918 0.380 -9.998
110 1HD2 ASN 13 HD21 ASN 13 -5.217 1.624 -10.202
111 2HD2 ASN 13 HD22 ASN 13 -4.009 1.913 -9.001
Start of MODEL 14
1 1H GLU 1 HT1 GLU 1 7.943 9.498 6.225
2 2H GLU 1 HT2 GLU 1 6.805 10.014 7.402
3 3H GLU 1 HT3 GLU 1 6.268 9.488 5.859
4 HA GLU 1 HA GLU 1 7.374 7.927 8.075
5 1HB GLU 1 HB2 GLU 1 4.833 8.128 6.518
6 2HB GLU 1 HB1 GLU 1 5.278 6.564 7.187
7 1HG GLU 1 HG2 GLU 1 5.531 8.721 9.116
8 2HG GLU 1 HG1 GLU 1 3.895 8.557 8.478
9 H LEU 2 HN LEU 2 6.806 7.973 4.585
10 HA LEU 2 HA LEU 2 7.625 6.706 2.883
11 1HB LEU 2 HB2 LEU 2 9.755 7.302 4.376
12 2HB LEU 2 HB1 LEU 2 9.774 5.561 4.585
13 HG LEU 2 HG LEU 2 9.612 6.706 1.826
14 1HD1 LEU 2 HD11 LEU 2 11.459 7.877 2.988
15 2HD1 LEU 2 HD12 LEU 2 12.006 6.835 1.675
16 3HD1 LEU 2 HD13 LEU 2 12.181 6.310 3.349
17 1HD2 LEU 2 HD21 LEU 2 10.497 4.154 3.109
18 2HD2 LEU 2 HD22 LEU 2 11.106 4.608 1.517
19 3HD2 LEU 2 HD23 LEU 2 9.373 4.406 1.774
20 H LEU 3 HN LEU 3 5.659 5.571 4.672
21 HA LEU 3 HA LEU 3 6.182 2.920 5.382
22 1HB LEU 3 HB2 LEU 3 3.655 2.650 5.085
23 2HB LEU 3 HB1 LEU 3 4.224 3.815 6.265
24 HG LEU 3 HG LEU 3 3.913 5.191 3.797
25 1HD1 LEU 3 HD11 LEU 3 1.498 4.870 3.429
26 2HD1 LEU 3 HD12 LEU 3 1.527 3.513 4.555
27 3HD1 LEU 3 HD13 LEU 3 2.442 3.429 3.050
28 1HD2 LEU 3 HD21 LEU 3 3.595 5.769 6.369
29 2HD2 LEU 3 HD22 LEU 3 1.909 5.445 5.968
30 3HD2 LEU 3 HD23 LEU 3 2.800 6.691 5.093
31 H GLU 4 HN GLU 4 6.778 1.286 4.137
32 HA GLU 4 HA GLU 4 6.255 1.341 1.285
33 1HB GLU 4 HB2 GLU 4 8.454 0.632 2.451
34 2HB GLU 4 HB1 GLU 4 7.631 -0.894 2.743
35 1HG GLU 4 HG2 GLU 4 7.156 -0.733 0.155
36 2HG GLU 4 HG1 GLU 4 8.589 0.294 0.198
37 H LEU 5 HN LEU 5 4.360 0.510 3.752
38 HA LEU 5 HA LEU 5 3.456 -2.059 2.780
39 1HB LEU 5 HB2 LEU 5 1.967 -2.085 4.644
40 2HB LEU 5 HB1 LEU 5 3.545 -1.551 5.198
41 HG LEU 5 HG LEU 5 2.002 0.724 4.443
42 1HD1 LEU 5 HD11 LEU 5 0.636 -1.224 6.279
43 2HD1 LEU 5 HD12 LEU 5 -0.011 -0.444 4.836
44 3HD1 LEU 5 HD13 LEU 5 0.290 0.505 6.292
45 1HD2 LEU 5 HD21 LEU 5 2.393 1.322 6.832
46 2HD2 LEU 5 HD22 LEU 5 3.852 0.861 5.955
47 3HD2 LEU 5 HD23 LEU 5 3.092 -0.281 7.065
48 H ASP 6 HN ASP 6 3.094 0.838 1.516
49 HA ASP 6 HA ASP 6 0.220 0.838 1.140
50 1HB ASP 6 HB2 ASP 6 2.436 2.714 0.626
51 2HB ASP 6 HB1 ASP 6 1.140 2.751 -0.566
52 H LYS 7 HN LYS 7 2.830 -0.695 -0.287
53 HA LYS 7 HA LYS 7 2.211 -0.576 -3.012
54 1HB LYS 7 HB2 LYS 7 4.274 -1.575 -1.732
55 2HB LYS 7 HB1 LYS 7 3.340 -3.063 -1.804
56 1HG LYS 7 HG2 LYS 7 3.561 -3.261 -4.060
57 2HG LYS 7 HG1 LYS 7 3.694 -1.519 -4.310
58 1HD LYS 7 HD2 LYS 7 5.952 -1.511 -3.507
59 2HD LYS 7 HD1 LYS 7 5.829 -3.198 -3.002
60 1HE LYS 7 HE2 LYS 7 7.007 -3.276 -5.023
61 2HE LYS 7 HE1 LYS 7 5.356 -3.716 -5.457
62 1HZ LYS 7 HZ1 LYS 7 6.769 -1.873 -6.744
63 2HZ LYS 7 HZ2 LYS 7 5.998 -0.887 -5.607
64 3HZ LYS 7 HZ3 LYS 7 5.080 -1.847 -6.654
65 H TRP 8 HN TRP 8 0.642 -2.158 -0.444
66 HA TRP 8 HA TRP 8 -0.686 -4.112 -2.125
67 1HB TRP 8 HB2 TRP 8 -0.513 -3.568 0.784
68 2HB TRP 8 HB1 TRP 8 -2.005 -4.309 0.213
69 HD1 TRP 8 HD1 TRP 8 -0.441 -6.080 -2.097
70 HE1 TRP 8 HE1 TRP 8 0.796 -8.196 -1.313
71 HE3 TRP 8 HE3 TRP 8 0.056 -4.940 2.862
72 HZ2 TRP 8 HZ2 TRP 8 1.843 -9.244 1.090
73 HZ3 TRP 8 HZ3 TRP 8 1.187 -6.553 4.335
74 HH2 TRP 8 HH2 TRP 8 2.061 -8.661 3.466
75 H ALA 9 HN ALA 9 -1.059 -0.931 -1.935
76 HA ALA 9 HA ALA 9 -3.933 -0.811 -1.579
77 1HB ALA 9 HB1 ALA 9 -3.604 1.616 -2.115
78 2HB ALA 9 HB2 ALA 9 -1.876 1.285 -2.239
79 3HB ALA 9 HB3 ALA 9 -2.714 1.036 -0.707
80 H SER 10 HN SER 10 -2.118 -1.924 -4.023
81 HA SER 10 HA SER 10 -3.287 -0.547 -6.249
82 1HB SER 10 HB2 SER 10 -1.054 -2.071 -5.963
83 2HB SER 10 HB1 SER 10 -2.149 -3.232 -6.713
84 HG SER 10 HG SER 10 -0.920 -1.048 -7.789
85 H LEU 11 HN LEU 11 -4.479 -2.823 -4.116
86 HA LEU 11 HA LEU 11 -6.125 -4.239 -6.036
87 1HB LEU 11 HB2 LEU 11 -6.502 -4.419 -3.076
88 2HB LEU 11 HB1 LEU 11 -6.755 -5.649 -4.300
89 HG LEU 11 HG LEU 11 -4.008 -4.639 -3.602
90 1HD1 LEU 11 HD11 LEU 11 -3.798 -6.650 -2.179
91 2HD1 LEU 11 HD12 LEU 11 -5.531 -6.925 -2.362
92 3HD1 LEU 11 HD13 LEU 11 -4.949 -5.471 -1.549
93 1HD2 LEU 11 HD21 LEU 11 -3.222 -6.281 -4.939
94 2HD2 LEU 11 HD22 LEU 11 -4.800 -6.107 -5.708
95 3HD2 LEU 11 HD23 LEU 11 -4.530 -7.391 -4.530
96 H TRP 12 HN TRP 12 -6.281 -1.263 -4.666
97 HA TRP 12 HA TRP 12 -9.193 -1.279 -4.340
98 1HB TRP 12 HB2 TRP 12 -7.193 -0.042 -2.876
99 2HB TRP 12 HB1 TRP 12 -7.847 1.268 -3.855
100 HD1 TRP 12 HD1 TRP 12 -9.986 2.387 -2.968
101 HE1 TRP 12 HE1 TRP 12 -11.696 1.857 -1.119
102 HE3 TRP 12 HE3 TRP 12 -8.336 -2.269 -1.646
103 HZ2 TRP 12 HZ2 TRP 12 -12.269 -0.256 0.664
104 HZ3 TRP 12 HZ3 TRP 12 -9.520 -3.476 0.140
105 HH2 TRP 12 HH2 TRP 12 -11.446 -2.489 1.271
106 H ASN 13 HN ASN 13 -7.920 -1.490 -6.952
107 HA ASN 13 HA ASN 13 -9.264 0.770 -8.213
108 1HB ASN 13 HB2 ASN 13 -6.344 0.208 -8.369
109 2HB ASN 13 HB1 ASN 13 -7.153 0.725 -9.845
110 1HD2 ASN 13 HD21 ASN 13 -5.959 1.653 -6.777
111 2HD2 ASN 13 HD22 ASN 13 -6.341 3.334 -6.886
Start of MODEL 15
1 1H GLU 1 HT1 GLU 1 3.662 8.894 6.512
2 2H GLU 1 HT2 GLU 1 4.970 7.798 6.700
3 3H GLU 1 HT3 GLU 1 3.587 7.340 5.793
4 HA GLU 1 HA GLU 1 4.072 8.791 4.088
5 1HB GLU 1 HB2 GLU 1 6.070 10.338 4.333
6 2HB GLU 1 HB1 GLU 1 4.659 10.746 5.298
7 1HG GLU 1 HG2 GLU 1 5.696 10.312 7.260
8 2HG GLU 1 HG1 GLU 1 6.691 9.026 6.577
9 H LEU 2 HN LEU 2 5.164 7.871 2.457
10 HA LEU 2 HA LEU 2 6.583 6.504 1.321
11 1HB LEU 2 HB2 LEU 2 8.168 8.157 2.841
12 2HB LEU 2 HB1 LEU 2 8.758 6.566 3.284
13 HG LEU 2 HG LEU 2 8.471 7.328 0.397
14 1HD1 LEU 2 HD11 LEU 2 10.794 7.958 2.209
15 2HD1 LEU 2 HD12 LEU 2 9.782 9.111 1.340
16 3HD1 LEU 2 HD13 LEU 2 10.845 8.023 0.448
17 1HD2 LEU 2 HD21 LEU 2 10.584 5.593 1.594
18 2HD2 LEU 2 HD22 LEU 2 9.870 5.546 -0.018
19 3HD2 LEU 2 HD23 LEU 2 8.955 4.957 1.369
20 H LEU 3 HN LEU 3 4.757 5.243 2.986
21 HA LEU 3 HA LEU 3 6.008 3.257 4.613
22 1HB LEU 3 HB2 LEU 3 3.221 3.454 3.474
23 2HB LEU 3 HB1 LEU 3 3.737 2.200 4.587
24 HG LEU 3 HG LEU 3 3.979 5.100 5.325
25 1HD1 LEU 3 HD11 LEU 3 1.566 3.361 5.810
26 2HD1 LEU 3 HD12 LEU 3 1.648 4.662 4.622
27 3HD1 LEU 3 HD13 LEU 3 1.800 5.027 6.341
28 1HD2 LEU 3 HD21 LEU 3 3.465 3.856 7.594
29 2HD2 LEU 3 HD22 LEU 3 5.094 3.906 6.921
30 3HD2 LEU 3 HD23 LEU 3 4.094 2.469 6.705
31 H GLU 4 HN GLU 4 6.963 1.443 3.986
32 HA GLU 4 HA GLU 4 7.013 0.686 1.222
33 1HB GLU 4 HB2 GLU 4 8.227 -0.489 3.716
34 2HB GLU 4 HB1 GLU 4 8.387 -1.264 2.146
35 1HG GLU 4 HG2 GLU 4 9.412 0.831 1.286
36 2HG GLU 4 HG1 GLU 4 9.376 1.466 2.930
37 H LEU 5 HN LEU 5 5.158 -0.226 3.988
38 HA LEU 5 HA LEU 5 4.300 -2.739 2.841
39 1HB LEU 5 HB2 LEU 5 3.063 -3.075 4.848
40 2HB LEU 5 HB1 LEU 5 4.650 -2.463 5.280
41 HG LEU 5 HG LEU 5 2.773 -0.308 4.937
42 1HD1 LEU 5 HD11 LEU 5 1.294 -0.748 6.776
43 2HD1 LEU 5 HD12 LEU 5 2.087 -2.290 7.099
44 3HD1 LEU 5 HD13 LEU 5 1.160 -2.068 5.615
45 1HD2 LEU 5 HD21 LEU 5 4.666 -1.292 7.022
46 2HD2 LEU 5 HD22 LEU 5 3.508 -0.024 7.422
47 3HD2 LEU 5 HD23 LEU 5 4.674 0.225 6.123
48 H ASP 6 HN ASP 6 3.624 0.201 1.888
49 HA ASP 6 HA ASP 6 0.727 0.074 1.892
50 1HB ASP 6 HB2 ASP 6 2.774 2.092 1.214
51 2HB ASP 6 HB1 ASP 6 1.308 2.148 0.240
52 H LYS 7 HN LYS 7 2.827 -1.677 0.259
53 HA LYS 7 HA LYS 7 2.145 -1.250 -2.453
54 1HB LYS 7 HB2 LYS 7 4.176 -2.479 -1.520
55 2HB LYS 7 HB1 LYS 7 3.102 -3.851 -1.283
56 1HG LYS 7 HG2 LYS 7 2.555 -3.332 -3.836
57 2HG LYS 7 HG1 LYS 7 4.204 -2.709 -3.769
58 1HD LYS 7 HD2 LYS 7 4.790 -4.842 -4.176
59 2HD LYS 7 HD1 LYS 7 4.474 -5.074 -2.455
60 1HE LYS 7 HE2 LYS 7 3.091 -6.697 -3.168
61 2HE LYS 7 HE1 LYS 7 1.982 -5.362 -3.476
62 1HZ LYS 7 HZ1 LYS 7 3.028 -5.280 -5.764
63 2HZ LYS 7 HZ2 LYS 7 2.025 -6.603 -5.441
64 3HZ LYS 7 HZ3 LYS 7 3.706 -6.789 -5.410
65 H TRP 8 HN TRP 8 0.390 -2.555 0.094
66 HA TRP 8 HA TRP 8 -1.086 -4.523 -1.364
67 1HB TRP 8 HB2 TRP 8 -1.025 -3.482 1.366
68 2HB TRP 8 HB1 TRP 8 -2.654 -3.855 0.811
69 HD1 TRP 8 HD1 TRP 8 -3.137 -6.075 2.043
70 HE1 TRP 8 HE1 TRP 8 -2.029 -8.398 2.099
71 HE3 TRP 8 HE3 TRP 8 1.140 -4.998 -0.544
72 HZ2 TRP 8 HZ2 TRP 8 0.344 -9.612 1.170
73 HZ3 TRP 8 HZ3 TRP 8 2.777 -6.796 -0.917
74 HH2 TRP 8 HH2 TRP 8 2.386 -9.055 -0.076
75 H ALA 9 HN ALA 9 -1.109 -1.197 -1.472
76 HA ALA 9 HA ALA 9 -3.962 -0.887 -1.893
77 1HB ALA 9 HB1 ALA 9 -1.789 1.164 -2.268
78 2HB ALA 9 HB2 ALA 9 -2.602 0.844 -0.736
79 3HB ALA 9 HB3 ALA 9 -3.521 1.455 -2.112
80 H SER 10 HN SER 10 -2.084 -2.484 -3.740
81 HA SER 10 HA SER 10 -2.204 -1.015 -6.219
82 1HB SER 10 HB2 SER 10 -0.533 -2.947 -5.339
83 2HB SER 10 HB1 SER 10 -1.659 -3.925 -6.281
84 HG SER 10 HG SER 10 0.173 -3.051 -7.468
85 H LEU 11 HN LEU 11 -4.546 -2.491 -4.488
86 HA LEU 11 HA LEU 11 -5.859 -3.868 -6.671
87 1HB LEU 11 HB2 LEU 11 -7.498 -4.537 -5.088
88 2HB LEU 11 HB1 LEU 11 -5.925 -4.713 -4.331
89 HG LEU 11 HG LEU 11 -7.118 -2.112 -3.817
90 1HD1 LEU 11 HD11 LEU 11 -8.616 -4.596 -3.033
91 2HD1 LEU 11 HD12 LEU 11 -9.229 -3.161 -3.856
92 3HD1 LEU 11 HD13 LEU 11 -8.768 -3.073 -2.156
93 1HD2 LEU 11 HD21 LEU 11 -6.716 -3.169 -1.413
94 2HD2 LEU 11 HD22 LEU 11 -5.395 -2.541 -2.399
95 3HD2 LEU 11 HD23 LEU 11 -5.716 -4.275 -2.354
96 H TRP 12 HN TRP 12 -5.402 -0.815 -6.493
97 HA TRP 12 HA TRP 12 -6.482 1.046 -7.219
98 1HB TRP 12 HB2 TRP 12 -8.048 -1.174 -8.338
99 2HB TRP 12 HB1 TRP 12 -8.951 0.328 -8.176
100 HD1 TRP 12 HD1 TRP 12 -6.401 -1.363 -10.331
101 HE1 TRP 12 HE1 TRP 12 -5.661 0.224 -12.217
102 HE3 TRP 12 HE3 TRP 12 -8.504 2.970 -8.617
103 HZ2 TRP 12 HZ2 TRP 12 -5.932 2.953 -12.889
104 HZ3 TRP 12 HZ3 TRP 12 -8.217 5.024 -9.940
105 HH2 TRP 12 HH2 TRP 12 -6.957 5.014 -12.032
106 H ASN 13 HN ASN 13 -6.806 0.088 -4.490
107 HA ASN 13 HA ASN 13 -9.517 0.647 -3.704
108 1HB ASN 13 HB2 ASN 13 -8.030 -0.940 -2.472
109 2HB ASN 13 HB1 ASN 13 -7.053 0.434 -1.962
110 1HD2 ASN 13 HD21 ASN 13 -7.589 -0.349 0.186
111 2HD2 ASN 13 HD22 ASN 13 -9.078 0.143 0.911
Start of MODEL 16
1 1H GLU 1 HT1 GLU 1 4.704 10.102 3.649
2 2H GLU 1 HT2 GLU 1 4.114 10.276 2.047
3 3H GLU 1 HT3 GLU 1 5.792 10.048 2.326
4 HA GLU 1 HA GLU 1 3.771 8.083 3.133
5 1HB GLU 1 HB2 GLU 1 4.579 8.864 0.485
6 2HB GLU 1 HB1 GLU 1 5.145 7.232 0.809
7 1HG GLU 1 HG2 GLU 1 3.112 6.652 0.077
8 2HG GLU 1 HG1 GLU 1 2.616 7.053 1.721
9 H LEU 2 HN LEU 2 4.792 7.007 4.701
10 HA LEU 2 HA LEU 2 7.664 6.445 4.383
11 1HB LEU 2 HB2 LEU 2 7.695 6.079 6.816
12 2HB LEU 2 HB1 LEU 2 7.188 7.702 6.387
13 HG LEU 2 HG LEU 2 5.025 5.722 6.804
14 1HD1 LEU 2 HD11 LEU 2 5.189 5.542 9.088
15 2HD1 LEU 2 HD12 LEU 2 6.228 6.960 9.235
16 3HD1 LEU 2 HD13 LEU 2 6.886 5.445 8.617
17 1HD2 LEU 2 HD21 LEU 2 4.339 7.890 8.196
18 2HD2 LEU 2 HD22 LEU 2 4.108 7.766 6.452
19 3HD2 LEU 2 HD23 LEU 2 5.504 8.628 7.097
20 H LEU 3 HN LEU 3 4.511 5.036 4.832
21 HA LEU 3 HA LEU 3 5.223 2.455 5.625
22 1HB LEU 3 HB2 LEU 3 2.895 3.603 4.141
23 2HB LEU 3 HB1 LEU 3 3.052 1.863 4.291
24 HG LEU 3 HG LEU 3 1.576 2.845 6.009
25 1HD1 LEU 3 HD11 LEU 3 3.359 0.855 6.304
26 2HD1 LEU 3 HD12 LEU 3 2.214 1.335 7.556
27 3HD1 LEU 3 HD13 LEU 3 3.874 1.926 7.607
28 1HD2 LEU 3 HD21 LEU 3 4.013 4.060 7.262
29 2HD2 LEU 3 HD22 LEU 3 2.313 4.349 7.631
30 3HD2 LEU 3 HD23 LEU 3 3.009 4.974 6.136
31 H GLU 4 HN GLU 4 6.476 1.028 4.651
32 HA GLU 4 HA GLU 4 7.017 1.237 1.808
33 1HB GLU 4 HB2 GLU 4 8.571 0.557 3.950
34 2HB GLU 4 HB1 GLU 4 8.180 -1.024 3.288
35 1HG GLU 4 HG2 GLU 4 9.260 1.202 1.591
36 2HG GLU 4 HG1 GLU 4 10.306 0.085 2.468
37 H LEU 5 HN LEU 5 5.170 -0.738 3.984
38 HA LEU 5 HA LEU 5 4.786 -2.849 2.045
39 1HB LEU 5 HB2 LEU 5 3.304 -3.830 3.774
40 2HB LEU 5 HB1 LEU 5 4.949 -3.543 4.313
41 HG LEU 5 HG LEU 5 3.507 -1.218 4.927
42 1HD1 LEU 5 HD11 LEU 5 2.070 -3.616 6.030
43 2HD1 LEU 5 HD12 LEU 5 1.496 -2.721 4.623
44 3HD1 LEU 5 HD13 LEU 5 1.635 -1.914 6.185
45 1HD2 LEU 5 HD21 LEU 5 5.420 -2.608 6.089
46 2HD2 LEU 5 HD22 LEU 5 4.065 -3.277 6.999
47 3HD2 LEU 5 HD23 LEU 5 4.370 -1.540 7.021
48 H ASP 6 HN ASP 6 3.723 0.070 1.822
49 HA ASP 6 HA ASP 6 0.867 -0.385 1.659
50 1HB ASP 6 HB2 ASP 6 2.491 1.867 2.042
51 2HB ASP 6 HB1 ASP 6 1.747 2.098 0.463
52 H LYS 7 HN LYS 7 3.283 -1.336 -0.268
53 HA LYS 7 HA LYS 7 2.489 -0.418 -2.823
54 1HB LYS 7 HB2 LYS 7 3.955 -2.111 -3.716
55 2HB LYS 7 HB1 LYS 7 4.727 -1.370 -2.321
56 1HG LYS 7 HG2 LYS 7 3.212 -3.628 -1.453
57 2HG LYS 7 HG1 LYS 7 4.244 -4.103 -2.803
58 1HD LYS 7 HD2 LYS 7 6.164 -3.743 -1.639
59 2HD LYS 7 HD1 LYS 7 5.474 -2.416 -0.702
60 1HE LYS 7 HE2 LYS 7 5.906 -4.281 0.762
61 2HE LYS 7 HE1 LYS 7 4.165 -4.064 0.595
62 1HZ LYS 7 HZ1 LYS 7 5.474 -5.920 -1.242
63 2HZ LYS 7 HZ2 LYS 7 3.937 -5.999 -0.539
64 3HZ LYS 7 HZ3 LYS 7 5.303 -6.413 0.368
65 H TRP 8 HN TRP 8 1.280 -2.825 -0.726
66 HA TRP 8 HA TRP 8 -0.145 -4.254 -2.809
67 1HB TRP 8 HB2 TRP 8 0.359 -4.646 0.084
68 2HB TRP 8 HB1 TRP 8 -1.163 -5.280 -0.533
69 HD1 TRP 8 HD1 TRP 8 0.170 -6.104 -3.445
70 HE1 TRP 8 HE1 TRP 8 1.571 -8.262 -3.521
71 HE3 TRP 8 HE3 TRP 8 1.227 -6.561 1.536
72 HZ2 TRP 8 HZ2 TRP 8 2.942 -9.936 -1.709
73 HZ3 TRP 8 HZ3 TRP 8 2.589 -8.469 2.282
74 HH2 TRP 8 HH2 TRP 8 3.427 -10.121 0.692
75 H ALA 9 HN ALA 9 -0.647 -1.333 -1.630
76 HA ALA 9 HA ALA 9 -3.450 -1.564 -0.928
77 1HB ALA 9 HB1 ALA 9 -2.302 1.108 -1.393
78 2HB ALA 9 HB2 ALA 9 -1.541 0.154 -0.121
79 3HB ALA 9 HB3 ALA 9 -3.268 0.502 -0.048
80 H SER 10 HN SER 10 -2.068 -1.911 -3.772
81 HA SER 10 HA SER 10 -3.613 0.000 -5.310
82 1HB SER 10 HB2 SER 10 -1.205 -1.131 -5.775
83 2HB SER 10 HB1 SER 10 -2.235 -2.224 -6.698
84 HG SER 10 HG SER 10 -2.199 0.605 -6.948
85 H LEU 11 HN LEU 11 -4.624 -2.542 -3.701
86 HA LEU 11 HA LEU 11 -6.019 -3.966 -5.792
87 1HB LEU 11 HB2 LEU 11 -6.977 -5.282 -3.944
88 2HB LEU 11 HB1 LEU 11 -5.223 -5.245 -3.925
89 HG LEU 11 HG LEU 11 -5.899 -3.122 -2.311
90 1HD1 LEU 11 HD11 LEU 11 -7.792 -5.399 -1.750
91 2HD1 LEU 11 HD12 LEU 11 -8.238 -3.780 -2.291
92 3HD1 LEU 11 HD13 LEU 11 -7.513 -4.010 -0.700
93 1HD2 LEU 11 HD21 LEU 11 -4.731 -4.260 -0.716
94 2HD2 LEU 11 HD22 LEU 11 -4.265 -5.196 -2.136
95 3HD2 LEU 11 HD23 LEU 11 -5.532 -5.792 -1.064
96 H TRP 12 HN TRP 12 -6.522 -1.028 -4.530
97 HA TRP 12 HA TRP 12 -9.377 -1.153 -5.082
98 1HB TRP 12 HB2 TRP 12 -8.223 -0.720 -2.418
99 2HB TRP 12 HB1 TRP 12 -9.373 0.522 -2.903
100 HD1 TRP 12 HD1 TRP 12 -11.401 -1.393 -4.497
101 HE1 TRP 12 HE1 TRP 12 -12.913 -2.987 -3.157
102 HE3 TRP 12 HE3 TRP 12 -8.719 -1.594 -0.148
103 HZ2 TRP 12 HZ2 TRP 12 -12.963 -4.173 -0.596
104 HZ3 TRP 12 HZ3 TRP 12 -9.569 -2.982 1.698
105 HH2 TRP 12 HH2 TRP 12 -11.647 -4.244 1.477
106 H ASN 13 HN ASN 13 -8.550 -0.039 -6.984
107 HA ASN 13 HA ASN 13 -8.228 1.824 -8.247
108 1HB ASN 13 HB2 ASN 13 -10.191 2.508 -6.628
109 2HB ASN 13 HB1 ASN 13 -8.977 3.588 -5.949
110 1HD2 ASN 13 HD21 ASN 13 -11.462 4.107 -7.467
111 2HD2 ASN 13 HD22 ASN 13 -10.982 5.097 -8.799
Start of MODEL 17
1 1H GLU 1 HT1 GLU 1 5.040 9.943 3.997
2 2H GLU 1 HT2 GLU 1 3.517 10.182 4.751
3 3H GLU 1 HT3 GLU 1 3.597 9.589 3.143
4 HA GLU 1 HA GLU 1 4.324 8.244 5.645
5 1HB GLU 1 HB2 GLU 1 2.339 7.869 3.420
6 2HB GLU 1 HB1 GLU 1 2.815 6.509 4.428
7 1HG GLU 1 HG2 GLU 1 1.473 7.154 6.066
8 2HG GLU 1 HG1 GLU 1 2.129 8.791 6.044
9 H LEU 2 HN LEU 2 4.069 7.381 2.198
10 HA LEU 2 HA LEU 2 5.412 6.158 0.831
11 1HB LEU 2 HB2 LEU 2 7.023 8.059 1.992
12 2HB LEU 2 HB1 LEU 2 7.894 6.576 2.330
13 HG LEU 2 HG LEU 2 6.960 6.945 -0.458
14 1HD1 LEU 2 HD11 LEU 2 8.422 8.596 -1.073
15 2HD1 LEU 2 HD12 LEU 2 9.477 8.333 0.315
16 3HD1 LEU 2 HD13 LEU 2 7.941 9.174 0.522
17 1HD2 LEU 2 HD21 LEU 2 8.427 5.071 0.687
18 2HD2 LEU 2 HD22 LEU 2 9.725 6.218 0.356
19 3HD2 LEU 2 HD23 LEU 2 8.734 5.601 -0.966
20 H LEU 3 HN LEU 3 4.141 4.782 2.925
21 HA LEU 3 HA LEU 3 5.878 3.054 4.334
22 1HB LEU 3 HB2 LEU 3 2.964 3.025 3.661
23 2HB LEU 3 HB1 LEU 3 3.701 1.592 4.353
24 HG LEU 3 HG LEU 3 3.838 4.306 5.657
25 1HD1 LEU 3 HD11 LEU 3 1.513 3.008 5.291
26 2HD1 LEU 3 HD12 LEU 3 1.877 3.978 6.718
27 3HD1 LEU 3 HD13 LEU 3 2.072 2.226 6.769
28 1HD2 LEU 3 HD21 LEU 3 5.563 2.653 6.289
29 2HD2 LEU 3 HD22 LEU 3 4.283 1.538 6.766
30 3HD2 LEU 3 HD23 LEU 3 4.486 3.067 7.622
31 H GLU 4 HN GLU 4 6.341 0.843 3.977
32 HA GLU 4 HA GLU 4 6.702 0.203 1.171
33 1HB GLU 4 HB2 GLU 4 7.591 -1.264 3.661
34 2HB GLU 4 HB1 GLU 4 8.046 -1.688 2.017
35 1HG GLU 4 HG2 GLU 4 8.756 0.831 3.499
36 2HG GLU 4 HG1 GLU 4 9.841 -0.486 3.054
37 H LEU 5 HN LEU 5 4.628 -0.693 3.792
38 HA LEU 5 HA LEU 5 3.747 -3.135 2.519
39 1HB LEU 5 HB2 LEU 5 2.165 -3.261 4.435
40 2HB LEU 5 HB1 LEU 5 3.859 -3.203 4.890
41 HG LEU 5 HG LEU 5 2.960 -0.542 4.811
42 1HD1 LEU 5 HD11 LEU 5 0.698 -1.874 5.038
43 2HD1 LEU 5 HD12 LEU 5 0.994 -0.402 5.963
44 3HD1 LEU 5 HD13 LEU 5 1.200 -1.979 6.726
45 1HD2 LEU 5 HD21 LEU 5 3.287 -0.810 7.348
46 2HD2 LEU 5 HD22 LEU 5 4.668 -1.102 6.291
47 3HD2 LEU 5 HD23 LEU 5 3.768 -2.462 6.963
48 H ASP 6 HN ASP 6 3.234 -0.115 1.669
49 HA ASP 6 HA ASP 6 0.343 -0.160 1.447
50 1HB ASP 6 HB2 ASP 6 2.489 1.834 0.991
51 2HB ASP 6 HB1 ASP 6 1.047 1.994 -0.006
52 H LYS 7 HN LYS 7 2.537 -1.860 -0.132
53 HA LYS 7 HA LYS 7 2.007 -1.247 -2.856
54 1HB LYS 7 HB2 LYS 7 3.121 -3.393 -3.337
55 2HB LYS 7 HB1 LYS 7 4.055 -2.390 -2.235
56 1HG LYS 7 HG2 LYS 7 3.240 -3.713 -0.344
57 2HG LYS 7 HG1 LYS 7 2.320 -4.726 -1.459
58 1HD LYS 7 HD2 LYS 7 4.112 -5.985 -1.844
59 2HD LYS 7 HD1 LYS 7 5.033 -4.570 -2.353
60 1HE LYS 7 HE2 LYS 7 6.295 -5.336 -0.583
61 2HE LYS 7 HE1 LYS 7 5.265 -4.142 0.205
62 1HZ LYS 7 HZ1 LYS 7 4.988 -5.886 1.610
63 2HZ LYS 7 HZ2 LYS 7 5.229 -7.057 0.415
64 3HZ LYS 7 HZ3 LYS 7 3.746 -6.251 0.520
65 H TRP 8 HN TRP 8 0.356 -3.041 -0.465
66 HA TRP 8 HA TRP 8 -1.197 -4.570 -2.372
67 1HB TRP 8 HB2 TRP 8 -2.170 -5.679 -0.515
68 2HB TRP 8 HB1 TRP 8 -0.473 -5.460 -0.109
69 HD1 TRP 8 HD1 TRP 8 -0.927 -2.306 0.798
70 HE1 TRP 8 HE1 TRP 8 -1.964 -1.896 3.116
71 HE3 TRP 8 HE3 TRP 8 -3.101 -6.875 1.533
72 HZ2 TRP 8 HZ2 TRP 8 -3.500 -3.321 5.008
73 HZ3 TRP 8 HZ3 TRP 8 -4.336 -7.270 3.624
74 HH2 TRP 8 HH2 TRP 8 -4.530 -5.529 5.325
75 H ALA 9 HN ALA 9 -1.343 -1.515 -0.956
76 HA ALA 9 HA ALA 9 -4.233 -1.292 -1.048
77 1HB ALA 9 HB1 ALA 9 -4.008 0.572 0.203
78 2HB ALA 9 HB2 ALA 9 -2.608 1.144 -0.704
79 3HB ALA 9 HB3 ALA 9 -2.411 -0.100 0.532
80 H SER 10 HN SER 10 -1.469 -0.483 -3.007
81 HA SER 10 HA SER 10 -2.813 1.379 -4.699
82 1HB SER 10 HB2 SER 10 -0.280 -0.201 -5.195
83 2HB SER 10 HB1 SER 10 -0.830 1.184 -6.137
84 HG SER 10 HG SER 10 0.713 1.308 -4.101
85 H LEU 11 HN LEU 11 -3.102 -1.939 -4.396
86 HA LEU 11 HA LEU 11 -3.439 -2.602 -7.157
87 1HB LEU 11 HB2 LEU 11 -4.541 -4.180 -4.855
88 2HB LEU 11 HB1 LEU 11 -4.035 -4.764 -6.429
89 HG LEU 11 HG LEU 11 -2.182 -3.698 -4.297
90 1HD1 LEU 11 HD11 LEU 11 -2.651 -5.716 -3.395
91 2HD1 LEU 11 HD12 LEU 11 -1.480 -6.262 -4.595
92 3HD1 LEU 11 HD13 LEU 11 -3.207 -6.395 -4.925
93 1HD2 LEU 11 HD21 LEU 11 -0.448 -3.949 -5.729
94 2HD2 LEU 11 HD22 LEU 11 -1.703 -3.636 -6.929
95 3HD2 LEU 11 HD23 LEU 11 -1.205 -5.293 -6.585
96 H TRP 12 HN TRP 12 -5.348 -1.023 -4.888
97 HA TRP 12 HA TRP 12 -7.457 -0.516 -6.634
98 1HB TRP 12 HB2 TRP 12 -7.796 -3.039 -5.995
99 2HB TRP 12 HB1 TRP 12 -8.438 -2.374 -4.496
100 HD1 TRP 12 HD1 TRP 12 -10.988 -2.536 -4.665
101 HE1 TRP 12 HE1 TRP 12 -12.760 -1.924 -6.429
102 HE3 TRP 12 HE3 TRP 12 -7.887 -1.112 -8.473
103 HZ2 TRP 12 HZ2 TRP 12 -12.833 -0.965 -9.083
104 HZ3 TRP 12 HZ3 TRP 12 -8.888 -0.360 -10.591
105 HH2 TRP 12 HH2 TRP 12 -11.310 -0.289 -10.888
106 H ASN 13 HN ASN 13 -5.840 0.902 -4.817
107 HA ASN 13 HA ASN 13 -5.959 2.560 -3.265
108 1HB ASN 13 HB2 ASN 13 -8.814 2.293 -4.134
109 2HB ASN 13 HB1 ASN 13 -8.419 3.350 -2.782
110 1HD2 ASN 13 HD21 ASN 13 -6.218 4.601 -3.399
111 2HD2 ASN 13 HD22 ASN 13 -6.351 5.479 -4.881
Start of MODEL 18
1 1H GLU 1 HT1 GLU 1 1.323 8.194 3.626
2 2H GLU 1 HT2 GLU 1 2.456 8.846 4.738
3 3H GLU 1 HT3 GLU 1 0.961 8.219 5.301
4 HA GLU 1 HA GLU 1 2.908 6.783 5.656
5 1HB GLU 1 HB2 GLU 1 0.276 6.223 4.608
6 2HB GLU 1 HB1 GLU 1 1.404 4.971 4.107
7 1HG GLU 1 HG2 GLU 1 1.978 4.480 6.368
8 2HG GLU 1 HG1 GLU 1 1.072 5.874 6.955
9 H LEU 2 HN LEU 2 4.839 6.418 4.796
10 HA LEU 2 HA LEU 2 5.005 5.731 1.942
11 1HB LEU 2 HB2 LEU 2 5.721 8.110 2.453
12 2HB LEU 2 HB1 LEU 2 7.052 7.423 3.364
13 HG LEU 2 HG LEU 2 7.427 6.138 1.037
14 1HD1 LEU 2 HD11 LEU 2 6.032 8.712 0.356
15 2HD1 LEU 2 HD12 LEU 2 5.651 7.082 -0.199
16 3HD1 LEU 2 HD13 LEU 2 7.118 7.884 -0.761
17 1HD2 LEU 2 HD21 LEU 2 9.223 7.606 0.649
18 2HD2 LEU 2 HD22 LEU 2 8.968 7.635 2.394
19 3HD2 LEU 2 HD23 LEU 2 8.381 8.965 1.395
20 H LEU 3 HN LEU 3 4.888 3.944 4.133
21 HA LEU 3 HA LEU 3 7.536 3.080 4.816
22 1HB LEU 3 HB2 LEU 3 4.932 1.581 5.090
23 2HB LEU 3 HB1 LEU 3 6.440 1.210 5.904
24 HG LEU 3 HG LEU 3 4.913 3.777 6.322
25 1HD1 LEU 3 HD11 LEU 3 3.753 1.575 6.997
26 2HD1 LEU 3 HD12 LEU 3 3.871 2.872 8.186
27 3HD1 LEU 3 HD13 LEU 3 4.977 1.501 8.264
28 1HD2 LEU 3 HD21 LEU 3 6.351 3.532 8.512
29 2HD2 LEU 3 HD22 LEU 3 7.032 4.243 7.049
30 3HD2 LEU 3 HD23 LEU 3 7.382 2.563 7.458
31 H GLU 4 HN GLU 4 7.958 0.595 4.486
32 HA GLU 4 HA GLU 4 8.304 0.225 1.680
33 1HB GLU 4 HB2 GLU 4 9.020 -1.287 4.143
34 2HB GLU 4 HB1 GLU 4 9.008 -2.165 2.620
35 1HG GLU 4 HG2 GLU 4 10.436 0.422 2.659
36 2HG GLU 4 HG1 GLU 4 11.159 -0.910 3.559
37 H LEU 5 HN LEU 5 5.939 -0.794 4.001
38 HA LEU 5 HA LEU 5 4.860 -2.855 2.281
39 1HB LEU 5 HB2 LEU 5 3.196 -3.169 4.054
40 2HB LEU 5 HB1 LEU 5 4.844 -3.265 4.650
41 HG LEU 5 HG LEU 5 4.015 -0.574 4.873
42 1HD1 LEU 5 HD11 LEU 5 2.081 -0.706 6.288
43 2HD1 LEU 5 HD12 LEU 5 2.073 -2.466 6.185
44 3HD1 LEU 5 HD13 LEU 5 1.713 -1.498 4.755
45 1HD2 LEU 5 HD21 LEU 5 4.848 -2.784 6.671
46 2HD2 LEU 5 HD22 LEU 5 4.118 -1.354 7.400
47 3HD2 LEU 5 HD23 LEU 5 5.573 -1.197 6.416
48 H ASP 6 HN ASP 6 4.834 0.185 1.690
49 HA ASP 6 HA ASP 6 2.055 0.866 1.628
50 1HB ASP 6 HB2 ASP 6 2.784 2.837 0.361
51 2HB ASP 6 HB1 ASP 6 3.775 2.600 1.797
52 H LYS 7 HN LYS 7 3.797 -1.295 -0.175
53 HA LYS 7 HA LYS 7 2.818 -0.745 -2.784
54 1HB LYS 7 HB2 LYS 7 4.855 -2.138 -2.147
55 2HB LYS 7 HB1 LYS 7 3.724 -3.429 -1.766
56 1HG LYS 7 HG2 LYS 7 2.850 -3.185 -4.116
57 2HG LYS 7 HG1 LYS 7 4.246 -2.152 -4.427
58 1HD LYS 7 HD2 LYS 7 5.544 -4.197 -3.364
59 2HD LYS 7 HD1 LYS 7 4.120 -5.081 -3.916
60 1HE LYS 7 HE2 LYS 7 5.865 -3.323 -5.637
61 2HE LYS 7 HE1 LYS 7 5.927 -5.084 -5.584
62 1HZ LYS 7 HZ1 LYS 7 3.320 -3.915 -6.115
63 2HZ LYS 7 HZ2 LYS 7 4.058 -5.274 -6.801
64 3HZ LYS 7 HZ3 LYS 7 4.474 -3.725 -7.338
65 H TRP 8 HN TRP 8 1.222 -1.777 -0.063
66 HA TRP 8 HA TRP 8 -0.581 -3.622 -1.379
67 1HB TRP 8 HB2 TRP 8 0.225 -3.229 1.259
68 2HB TRP 8 HB1 TRP 8 -1.449 -2.684 1.233
69 HD1 TRP 8 HD1 TRP 8 -2.923 -4.708 -0.485
70 HE1 TRP 8 HE1 TRP 8 -3.055 -7.204 0.128
71 HE3 TRP 8 HE3 TRP 8 1.154 -5.007 2.584
72 HZ2 TRP 8 HZ2 TRP 8 -1.621 -9.055 1.703
73 HZ3 TRP 8 HZ3 TRP 8 1.705 -7.178 3.604
74 HH2 TRP 8 HH2 TRP 8 0.345 -9.159 3.172
75 H ALA 9 HN ALA 9 -0.318 -0.525 -1.870
76 HA ALA 9 HA ALA 9 -3.030 0.338 -1.316
77 1HB ALA 9 HB1 ALA 9 -2.046 2.347 -2.781
78 2HB ALA 9 HB2 ALA 9 -0.533 1.628 -2.229
79 3HB ALA 9 HB3 ALA 9 -1.731 2.172 -1.054
80 H SER 10 HN SER 10 -2.096 -1.798 -3.427
81 HA SER 10 HA SER 10 -3.063 -0.670 -5.895
82 1HB SER 10 HB2 SER 10 -1.296 -2.596 -5.477
83 2HB SER 10 HB1 SER 10 -2.734 -3.616 -5.523
84 HG SER 10 HG SER 10 -1.887 -3.411 -7.597
85 H LEU 11 HN LEU 11 -4.633 -1.648 -3.178
86 HA LEU 11 HA LEU 11 -6.806 -3.055 -4.472
87 1HB LEU 11 HB2 LEU 11 -7.801 -3.119 -2.216
88 2HB LEU 11 HB1 LEU 11 -6.186 -3.802 -2.283
89 HG LEU 11 HG LEU 11 -5.752 -1.147 -1.632
90 1HD1 LEU 11 HD11 LEU 11 -7.218 -0.525 0.085
91 2HD1 LEU 11 HD12 LEU 11 -7.939 -2.133 0.170
92 3HD1 LEU 11 HD13 LEU 11 -8.266 -1.092 -1.215
93 1HD2 LEU 11 HD21 LEU 11 -4.770 -3.385 -0.782
94 2HD2 LEU 11 HD22 LEU 11 -6.019 -3.270 0.459
95 3HD2 LEU 11 HD23 LEU 11 -4.807 -1.998 0.307
96 H TRP 12 HN TRP 12 -6.059 -0.045 -4.831
97 HA TRP 12 HA TRP 12 -8.637 1.132 -4.104
98 1HB TRP 12 HB2 TRP 12 -5.924 2.179 -4.613
99 2HB TRP 12 HB1 TRP 12 -7.237 3.176 -5.230
100 HD1 TRP 12 HD1 TRP 12 -9.313 2.704 -2.842
101 HE1 TRP 12 HE1 TRP 12 -8.860 3.801 -0.558
102 HE3 TRP 12 HE3 TRP 12 -4.278 3.471 -3.292
103 HZ2 TRP 12 HZ2 TRP 12 -6.661 4.852 0.865
104 HZ3 TRP 12 HZ3 TRP 12 -3.075 4.528 -1.424
105 HH2 TRP 12 HH2 TRP 12 -4.243 5.204 0.610
106 H ASN 13 HN ASN 13 -8.375 -0.820 -6.264
107 HA ASN 13 HA ASN 13 -9.992 0.421 -8.192
108 1HB ASN 13 HB2 ASN 13 -7.191 0.834 -8.588
109 2HB ASN 13 HB1 ASN 13 -7.779 -0.234 -9.859
110 1HD2 ASN 13 HD21 ASN 13 -9.784 0.498 -10.965
111 2HD2 ASN 13 HD22 ASN 13 -9.948 2.188 -11.284
Start of MODEL 19
1 1H GLU 1 HT1 GLU 1 5.192 8.591 7.373
2 2H GLU 1 HT2 GLU 1 6.594 7.680 7.762
3 3H GLU 1 HT3 GLU 1 5.506 7.114 6.562
4 HA GLU 1 HA GLU 1 6.000 9.267 5.380
5 1HB GLU 1 HB2 GLU 1 8.102 10.296 5.924
6 2HB GLU 1 HB1 GLU 1 7.146 10.213 7.397
7 1HG GLU 1 HG2 GLU 1 8.544 7.884 7.525
8 2HG GLU 1 HG1 GLU 1 9.699 8.952 6.729
9 H LEU 2 HN LEU 2 7.609 6.391 6.534
10 HA LEU 2 HA LEU 2 8.606 5.910 3.802
11 1HB LEU 2 HB2 LEU 2 10.140 6.171 6.093
12 2HB LEU 2 HB1 LEU 2 10.001 4.435 5.895
13 HG LEU 2 HG LEU 2 10.662 5.122 3.373
14 1HD1 LEU 2 HD11 LEU 2 11.975 7.161 5.162
15 2HD1 LEU 2 HD12 LEU 2 10.872 7.478 3.823
16 3HD1 LEU 2 HD13 LEU 2 12.470 6.802 3.508
17 1HD2 LEU 2 HD21 LEU 2 12.656 4.080 3.793
18 2HD2 LEU 2 HD22 LEU 2 11.736 3.578 5.211
19 3HD2 LEU 2 HD23 LEU 2 12.891 4.905 5.333
20 H LEU 3 HN LEU 3 6.037 5.171 4.717
21 HA LEU 3 HA LEU 3 5.931 2.501 5.638
22 1HB LEU 3 HB2 LEU 3 4.002 4.379 4.355
23 2HB LEU 3 HB1 LEU 3 3.585 2.677 4.434
24 HG LEU 3 HG LEU 3 4.174 4.483 6.780
25 1HD1 LEU 3 HD11 LEU 3 2.007 4.946 5.929
26 2HD1 LEU 3 HD12 LEU 3 1.795 3.914 7.344
27 3HD1 LEU 3 HD13 LEU 3 1.650 3.231 5.724
28 1HD2 LEU 3 HD21 LEU 3 4.016 1.546 6.515
29 2HD2 LEU 3 HD22 LEU 3 3.154 2.261 7.878
30 3HD2 LEU 3 HD23 LEU 3 4.885 2.538 7.686
31 H GLU 4 HN GLU 4 6.513 0.719 4.613
32 HA GLU 4 HA GLU 4 6.917 0.748 1.741
33 1HB GLU 4 HB2 GLU 4 8.390 -0.359 3.648
34 2HB GLU 4 HB1 GLU 4 7.305 -1.715 3.377
35 1HG GLU 4 HG2 GLU 4 8.398 -0.560 0.926
36 2HG GLU 4 HG1 GLU 4 9.612 -1.237 2.011
37 H LEU 5 HN LEU 5 4.438 -0.123 3.889
38 HA LEU 5 HA LEU 5 3.339 -2.203 2.211
39 1HB LEU 5 HB2 LEU 5 1.486 -2.207 3.868
40 2HB LEU 5 HB1 LEU 5 3.072 -2.528 4.547
41 HG LEU 5 HG LEU 5 2.688 0.251 4.691
42 1HD1 LEU 5 HD11 LEU 5 0.248 -1.326 5.424
43 2HD1 LEU 5 HD12 LEU 5 0.366 0.171 4.500
44 3HD1 LEU 5 HD13 LEU 5 0.643 0.186 6.242
45 1HD2 LEU 5 HD21 LEU 5 3.969 -1.276 6.210
46 2HD2 LEU 5 HD22 LEU 5 2.428 -1.754 6.922
47 3HD2 LEU 5 HD23 LEU 5 2.969 -0.079 7.035
48 H ASP 6 HN ASP 6 3.537 0.880 1.586
49 HA ASP 6 HA ASP 6 0.788 1.593 1.157
50 1HB ASP 6 HB2 ASP 6 3.360 2.877 0.220
51 2HB ASP 6 HB1 ASP 6 1.757 3.563 -0.032
52 H LYS 7 HN LYS 7 2.839 -0.483 -0.433
53 HA LYS 7 HA LYS 7 2.091 0.135 -3.134
54 1HB LYS 7 HB2 LYS 7 3.290 -2.437 -2.108
55 2HB LYS 7 HB1 LYS 7 3.331 -1.822 -3.755
56 1HG LYS 7 HG2 LYS 7 5.004 -0.347 -3.314
57 2HG LYS 7 HG1 LYS 7 4.526 -0.139 -1.628
58 1HD LYS 7 HD2 LYS 7 6.358 -1.404 -1.243
59 2HD LYS 7 HD1 LYS 7 5.250 -2.732 -1.594
60 1HE LYS 7 HE2 LYS 7 7.020 -3.248 -2.970
61 2HE LYS 7 HE1 LYS 7 5.995 -2.317 -4.062
62 1HZ LYS 7 HZ1 LYS 7 7.920 -1.229 -4.418
63 2HZ LYS 7 HZ2 LYS 7 8.582 -1.641 -2.917
64 3HZ LYS 7 HZ3 LYS 7 7.468 -0.374 -3.030
65 H TRP 8 HN TRP 8 0.412 -1.217 -0.620
66 HA TRP 8 HA TRP 8 -1.014 -3.203 -2.174
67 1HB TRP 8 HB2 TRP 8 -0.741 -2.525 0.650
68 2HB TRP 8 HB1 TRP 8 -2.407 -2.872 0.200
69 HD1 TRP 8 HD1 TRP 8 -1.726 -5.176 -1.962
70 HE1 TRP 8 HE1 TRP 8 -0.968 -7.480 -1.099
71 HE3 TRP 8 HE3 TRP 8 -0.138 -3.816 2.705
72 HZ2 TRP 8 HZ2 TRP 8 0.154 -8.576 1.249
73 HZ3 TRP 8 HZ3 TRP 8 0.763 -5.553 4.197
74 HH2 TRP 8 HH2 TRP 8 0.905 -7.883 3.483
75 H ALA 9 HN ALA 9 -1.187 0.109 -1.797
76 HA ALA 9 HA ALA 9 -3.903 0.669 -1.601
77 1HB ALA 9 HB1 ALA 9 -2.427 2.485 -1.430
78 2HB ALA 9 HB2 ALA 9 -3.295 2.750 -2.942
79 3HB ALA 9 HB3 ALA 9 -1.652 2.111 -2.969
80 H SER 10 HN SER 10 -2.123 -0.720 -4.210
81 HA SER 10 HA SER 10 -4.156 -0.120 -6.189
82 1HB SER 10 HB2 SER 10 -2.716 -1.221 -7.772
83 2HB SER 10 HB1 SER 10 -1.711 -0.191 -6.752
84 HG SER 10 HG SER 10 -1.211 -2.082 -5.524
85 H LEU 11 HN LEU 11 -4.361 -2.062 -3.698
86 HA LEU 11 HA LEU 11 -5.011 -4.559 -4.947
87 1HB LEU 11 HB2 LEU 11 -5.345 -5.410 -2.829
88 2HB LEU 11 HB1 LEU 11 -4.152 -4.155 -2.551
89 HG LEU 11 HG LEU 11 -6.535 -2.824 -2.200
90 1HD1 LEU 11 HD11 LEU 11 -8.030 -4.104 -0.976
91 2HD1 LEU 11 HD12 LEU 11 -6.842 -5.368 -0.658
92 3HD1 LEU 11 HD13 LEU 11 -7.541 -5.199 -2.269
93 1HD2 LEU 11 HD21 LEU 11 -5.090 -2.235 -0.587
94 2HD2 LEU 11 HD22 LEU 11 -4.348 -3.834 -0.535
95 3HD2 LEU 11 HD23 LEU 11 -5.847 -3.529 0.343
96 H TRP 12 HN TRP 12 -6.586 -1.672 -4.878
97 HA TRP 12 HA TRP 12 -9.171 -2.992 -5.314
98 1HB TRP 12 HB2 TRP 12 -8.718 -1.559 -3.057
99 2HB TRP 12 HB1 TRP 12 -9.288 -0.284 -4.129
100 HD1 TRP 12 HD1 TRP 12 -10.506 -3.098 -1.995
101 HE1 TRP 12 HE1 TRP 12 -13.060 -3.325 -2.216
102 HE3 TRP 12 HE3 TRP 12 -11.253 -0.015 -6.005
103 HZ2 TRP 12 HZ2 TRP 12 -15.119 -2.330 -3.872
104 HZ3 TRP 12 HZ3 TRP 12 -13.545 0.293 -6.846
105 HH2 TRP 12 HH2 TRP 12 -15.437 -0.842 -5.800
106 H ASN 13 HN ASN 13 -8.579 -2.806 -7.559
107 HA ASN 13 HA ASN 13 -8.150 -0.244 -8.754
108 1HB ASN 13 HB2 ASN 13 -9.008 -2.779 -10.154
109 2HB ASN 13 HB1 ASN 13 -8.167 -1.400 -10.855
110 1HD2 ASN 13 HD21 ASN 13 -6.167 -1.917 -11.325
111 2HD2 ASN 13 HD22 ASN 13 -5.104 -2.877 -10.358
Start of MODEL 20
1 1H GLU 1 HT1 GLU 1 8.722 9.050 2.375
2 2H GLU 1 HT2 GLU 1 9.867 8.103 3.234
3 3H GLU 1 HT3 GLU 1 8.702 9.030 4.089
4 HA GLU 1 HA GLU 1 6.950 7.705 3.236
5 1HB GLU 1 HB2 GLU 1 8.796 7.149 1.241
6 2HB GLU 1 HB1 GLU 1 8.669 5.627 2.112
7 1HG GLU 1 HG2 GLU 1 7.058 5.447 0.460
8 2HG GLU 1 HG1 GLU 1 6.135 5.931 1.882
9 H LEU 2 HN LEU 2 6.272 6.589 4.938
10 HA LEU 2 HA LEU 2 8.257 5.119 6.536
11 1HB LEU 2 HB2 LEU 2 6.263 5.250 8.250
12 2HB LEU 2 HB1 LEU 2 7.375 6.589 8.042
13 HG LEU 2 HG LEU 2 4.807 6.494 6.493
14 1HD1 LEU 2 HD11 LEU 2 5.198 7.418 9.330
15 2HD1 LEU 2 HD12 LEU 2 4.051 6.220 8.729
16 3HD1 LEU 2 HD13 LEU 2 3.847 7.922 8.316
17 1HD2 LEU 2 HD21 LEU 2 5.918 9.005 7.536
18 2HD2 LEU 2 HD22 LEU 2 5.286 8.618 5.936
19 3HD2 LEU 2 HD23 LEU 2 6.936 8.167 6.365
20 H LEU 3 HN LEU 3 4.942 4.930 5.279
21 HA LEU 3 HA LEU 3 4.759 2.120 5.981
22 1HB LEU 3 HB2 LEU 3 2.877 4.099 4.740
23 2HB LEU 3 HB1 LEU 3 2.527 2.382 4.703
24 HG LEU 3 HG LEU 3 2.465 2.282 7.116
25 1HD1 LEU 3 HD11 LEU 3 2.616 4.477 8.387
26 2HD1 LEU 3 HD12 LEU 3 3.394 5.133 6.947
27 3HD1 LEU 3 HD13 LEU 3 4.132 3.784 7.810
28 1HD2 LEU 3 HD21 LEU 3 0.620 4.013 7.515
29 2HD2 LEU 3 HD22 LEU 3 0.364 2.818 6.244
30 3HD2 LEU 3 HD23 LEU 3 0.855 4.459 5.825
31 H GLU 4 HN GLU 4 5.732 0.681 4.735
32 HA GLU 4 HA GLU 4 6.220 1.220 1.927
33 1HB GLU 4 HB2 GLU 4 7.735 0.008 3.761
34 2HB GLU 4 HB1 GLU 4 6.894 -1.406 3.143
35 1HG GLU 4 HG2 GLU 4 7.603 -0.465 0.820
36 2HG GLU 4 HG1 GLU 4 8.804 0.417 1.762
37 H LEU 5 HN LEU 5 4.040 -0.635 3.887
38 HA LEU 5 HA LEU 5 3.199 -2.335 1.718
39 1HB LEU 5 HB2 LEU 5 1.490 -3.126 3.364
40 2HB LEU 5 HB1 LEU 5 3.162 -3.346 3.851
41 HG LEU 5 HG LEU 5 2.314 -0.818 4.797
42 1HD1 LEU 5 HD11 LEU 5 0.513 -1.571 6.350
43 2HD1 LEU 5 HD12 LEU 5 0.397 -3.058 5.408
44 3HD1 LEU 5 HD13 LEU 5 0.030 -1.506 4.655
45 1HD2 LEU 5 HD21 LEU 5 3.225 -3.407 5.949
46 2HD2 LEU 5 HD22 LEU 5 2.572 -2.176 7.031
47 3HD2 LEU 5 HD23 LEU 5 3.974 -1.812 6.025
48 H ASP 6 HN ASP 6 2.715 0.799 2.142
49 HA ASP 6 HA ASP 6 -0.149 0.871 1.718
50 1HB ASP 6 HB2 ASP 6 1.970 2.968 2.052
51 2HB ASP 6 HB1 ASP 6 0.377 3.397 1.437
52 H LYS 7 HN LYS 7 2.700 0.784 -0.154
53 HA LYS 7 HA LYS 7 1.693 2.073 -2.480
54 1HB LYS 7 HB2 LYS 7 4.003 0.183 -2.061
55 2HB LYS 7 HB1 LYS 7 3.631 0.915 -3.616
56 1HG LYS 7 HG2 LYS 7 4.196 3.047 -2.891
57 2HG LYS 7 HG1 LYS 7 4.046 2.612 -1.188
58 1HD LYS 7 HD2 LYS 7 6.383 2.849 -1.769
59 2HD LYS 7 HD1 LYS 7 6.026 1.157 -1.416
60 1HE LYS 7 HE2 LYS 7 7.387 1.168 -3.354
61 2HE LYS 7 HE1 LYS 7 5.746 0.817 -3.896
62 1HZ LYS 7 HZ1 LYS 7 6.487 2.400 -5.390
63 2HZ LYS 7 HZ2 LYS 7 7.304 3.301 -4.215
64 3HZ LYS 7 HZ3 LYS 7 5.615 3.335 -4.282
65 H TRP 8 HN TRP 8 1.304 -1.028 -1.128
66 HA TRP 8 HA TRP 8 0.478 -2.273 -3.614
67 1HB TRP 8 HB2 TRP 8 1.034 -3.183 -0.855
68 2HB TRP 8 HB1 TRP 8 -0.215 -4.076 -1.717
69 HD1 TRP 8 HD1 TRP 8 0.765 -6.158 -2.813
70 HE1 TRP 8 HE1 TRP 8 2.982 -6.781 -3.963
71 HE3 TRP 8 HE3 TRP 8 3.222 -1.701 -2.315
72 HZ2 TRP 8 HZ2 TRP 8 5.445 -5.547 -4.578
73 HZ3 TRP 8 HZ3 TRP 8 5.504 -1.506 -3.212
74 HH2 TRP 8 HH2 TRP 8 6.592 -3.390 -4.319
75 H ALA 9 HN ALA 9 -0.955 -0.045 -1.816
76 HA ALA 9 HA ALA 9 -3.522 -1.203 -1.320
77 1HB ALA 9 HB1 ALA 9 -4.080 0.788 -0.366
78 2HB ALA 9 HB2 ALA 9 -3.208 1.738 -1.570
79 3HB ALA 9 HB3 ALA 9 -2.322 0.917 -0.285
80 H SER 10 HN SER 10 -1.993 -0.282 -4.147
81 HA SER 10 HA SER 10 -4.218 0.878 -5.522
82 1HB SER 10 HB2 SER 10 -2.810 0.653 -7.530
83 2HB SER 10 HB1 SER 10 -1.917 1.380 -6.195
84 HG SER 10 HG SER 10 -0.908 -0.587 -5.836
85 H LEU 11 HN LEU 11 -3.648 -2.239 -4.513
86 HA LEU 11 HA LEU 11 -4.776 -3.560 -6.837
87 1HB LEU 11 HB2 LEU 11 -4.377 -4.912 -4.202
88 2HB LEU 11 HB1 LEU 11 -4.248 -5.577 -5.819
89 HG LEU 11 HG LEU 11 -2.271 -3.571 -4.766
90 1HD1 LEU 11 HD11 LEU 11 -1.065 -5.137 -3.685
91 2HD1 LEU 11 HD12 LEU 11 -1.514 -6.416 -4.813
92 3HD1 LEU 11 HD13 LEU 11 -2.628 -5.939 -3.532
93 1HD2 LEU 11 HD21 LEU 11 -1.811 -3.670 -6.976
94 2HD2 LEU 11 HD22 LEU 11 -2.564 -5.252 -7.175
95 3HD2 LEU 11 HD23 LEU 11 -0.941 -5.127 -6.496
96 H TRP 12 HN TRP 12 -6.077 -1.759 -4.450
97 HA TRP 12 HA TRP 12 -8.427 -3.451 -4.037
98 1HB TRP 12 HB2 TRP 12 -7.113 -1.357 -2.523
99 2HB TRP 12 HB1 TRP 12 -8.832 -1.023 -2.705
100 HD1 TRP 12 HD1 TRP 12 -10.358 -2.157 -0.989
101 HE1 TRP 12 HE1 TRP 12 -10.122 -4.098 0.685
102 HE3 TRP 12 HE3 TRP 12 -5.699 -3.800 -2.303
103 HZ2 TRP 12 HZ2 TRP 12 -8.213 -6.066 1.358
104 HZ3 TRP 12 HZ3 TRP 12 -4.740 -5.717 -1.095
105 HH2 TRP 12 HH2 TRP 12 -5.972 -6.825 0.698
106 H ASN 13 HN ASN 13 -7.839 -2.231 -6.633
107 HA ASN 13 HA ASN 13 -10.397 -0.870 -6.990
108 1HB ASN 13 HB2 ASN 13 -8.718 0.923 -6.733
109 2HB ASN 13 HB1 ASN 13 -7.791 0.234 -8.063
110 1HD2 ASN 13 HD21 ASN 13 -11.160 1.153 -7.407
111 2HD2 ASN 13 HD22 ASN 13 -11.398 1.990 -8.900
Start of MODEL 21
1 1H GLU 1 HT1 GLU 1 5.155 10.158 7.136
2 2H GLU 1 HT2 GLU 1 5.712 9.984 5.522
3 3H GLU 1 HT3 GLU 1 6.752 9.613 6.836
4 HA GLU 1 HA GLU 1 5.070 7.913 7.492
5 1HB GLU 1 HB2 GLU 1 4.048 8.905 4.877
6 2HB GLU 1 HB1 GLU 1 3.941 7.176 5.179
7 1HG GLU 1 HG2 GLU 1 1.940 7.789 6.025
8 2HG GLU 1 HG1 GLU 1 2.916 8.033 7.473
9 H LEU 2 HN LEU 2 5.994 7.978 4.056
10 HA LEU 2 HA LEU 2 7.453 6.723 2.845
11 1HB LEU 2 HB2 LEU 2 8.834 7.250 5.392
12 2HB LEU 2 HB1 LEU 2 9.464 5.889 4.485
13 HG LEU 2 HG LEU 2 10.719 7.870 3.930
14 1HD1 LEU 2 HD11 LEU 2 9.696 6.155 2.127
15 2HD1 LEU 2 HD12 LEU 2 10.820 7.451 1.719
16 3HD1 LEU 2 HD13 LEU 2 9.086 7.681 1.486
17 1HD2 LEU 2 HD21 LEU 2 9.488 9.745 4.321
18 2HD2 LEU 2 HD22 LEU 2 8.013 9.055 3.643
19 3HD2 LEU 2 HD23 LEU 2 9.287 9.638 2.572
20 H LEU 3 HN LEU 3 5.232 5.424 4.212
21 HA LEU 3 HA LEU 3 6.006 2.942 5.307
22 1HB LEU 3 HB2 LEU 3 3.440 3.560 3.845
23 2HB LEU 3 HB1 LEU 3 3.706 2.271 5.004
24 HG LEU 3 HG LEU 3 4.022 5.145 5.809
25 1HD1 LEU 3 HD11 LEU 3 1.700 4.336 4.729
26 2HD1 LEU 3 HD12 LEU 3 1.808 5.501 6.049
27 3HD1 LEU 3 HD13 LEU 3 1.462 3.806 6.394
28 1HD2 LEU 3 HD21 LEU 3 2.944 3.065 7.602
29 2HD2 LEU 3 HD22 LEU 3 4.093 4.362 7.926
30 3HD2 LEU 3 HD23 LEU 3 4.633 2.887 7.125
31 H GLU 4 HN GLU 4 7.168 1.464 4.273
32 HA GLU 4 HA GLU 4 7.203 1.256 1.415
33 1HB GLU 4 HB2 GLU 4 8.998 0.637 3.347
34 2HB GLU 4 HB1 GLU 4 8.337 -0.957 3.009
35 1HG GLU 4 HG2 GLU 4 8.795 -0.433 0.554
36 2HG GLU 4 HG1 GLU 4 9.780 0.900 1.153
37 H LEU 5 HN LEU 5 5.207 -0.029 3.842
38 HA LEU 5 HA LEU 5 4.534 -2.439 2.390
39 1HB LEU 5 HB2 LEU 5 2.865 -2.752 4.220
40 2HB LEU 5 HB1 LEU 5 4.539 -2.671 4.743
41 HG LEU 5 HG LEU 5 3.493 -0.043 4.794
42 1HD1 LEU 5 HD11 LEU 5 1.271 -0.749 4.951
43 2HD1 LEU 5 HD12 LEU 5 1.761 -0.488 6.625
44 3HD1 LEU 5 HD13 LEU 5 1.686 -2.125 5.973
45 1HD2 LEU 5 HD21 LEU 5 4.042 -1.834 7.146
46 2HD2 LEU 5 HD22 LEU 5 4.195 -0.079 7.054
47 3HD2 LEU 5 HD23 LEU 5 5.319 -1.110 6.168
48 H ASP 6 HN ASP 6 3.989 0.375 1.349
49 HA ASP 6 HA ASP 6 1.108 0.507 1.258
50 1HB ASP 6 HB2 ASP 6 3.359 2.230 0.477
51 2HB ASP 6 HB1 ASP 6 1.977 2.308 -0.611
52 H LYS 7 HN LYS 7 3.210 -1.480 -0.240
53 HA LYS 7 HA LYS 7 2.511 -1.316 -2.958
54 1HB LYS 7 HB2 LYS 7 3.265 -3.746 -2.998
55 2HB LYS 7 HB1 LYS 7 4.442 -2.565 -2.441
56 1HG LYS 7 HG2 LYS 7 4.636 -3.572 -0.475
57 2HG LYS 7 HG1 LYS 7 2.887 -3.582 -0.238
58 1HD LYS 7 HD2 LYS 7 3.350 -5.839 -0.265
59 2HD LYS 7 HD1 LYS 7 2.961 -5.548 -1.962
60 1HE LYS 7 HE2 LYS 7 5.233 -5.561 -2.589
61 2HE LYS 7 HE1 LYS 7 5.776 -5.420 -0.918
62 1HZ LYS 7 HZ1 LYS 7 4.932 -7.646 -0.496
63 2HZ LYS 7 HZ2 LYS 7 6.064 -7.666 -1.753
64 3HZ LYS 7 HZ3 LYS 7 4.413 -7.779 -2.101
65 H TRP 8 HN TRP 8 0.743 -2.371 -0.269
66 HA TRP 8 HA TRP 8 -1.002 -4.136 -1.768
67 1HB TRP 8 HB2 TRP 8 -1.010 -3.214 1.107
68 2HB TRP 8 HB1 TRP 8 -2.243 -4.271 0.427
69 HD1 TRP 8 HD1 TRP 8 0.549 -4.639 2.539
70 HE1 TRP 8 HE1 TRP 8 1.720 -6.918 2.292
71 HE3 TRP 8 HE3 TRP 8 -1.421 -6.082 -1.953
72 HZ2 TRP 8 HZ2 TRP 8 1.799 -9.046 0.438
73 HZ3 TRP 8 HZ3 TRP 8 -0.746 -8.253 -2.894
74 HH2 TRP 8 HH2 TRP 8 0.831 -9.703 -1.722
75 H ALA 9 HN ALA 9 -0.754 -1.058 -2.138
76 HA ALA 9 HA ALA 9 -3.421 -0.150 -1.508
77 1HB ALA 9 HB1 ALA 9 -1.300 1.270 -1.487
78 2HB ALA 9 HB2 ALA 9 -2.737 1.967 -2.234
79 3HB ALA 9 HB3 ALA 9 -1.452 1.304 -3.244
80 H SER 10 HN SER 10 -2.375 -2.200 -3.800
81 HA SER 10 HA SER 10 -3.796 -1.071 -6.061
82 1HB SER 10 HB2 SER 10 -1.619 -2.660 -5.948
83 2HB SER 10 HB1 SER 10 -2.871 -3.885 -6.158
84 HG SER 10 HG SER 10 -1.869 -2.108 -7.952
85 H LEU 11 HN LEU 11 -5.009 -2.217 -3.386
86 HA LEU 11 HA LEU 11 -6.716 -4.316 -4.344
87 1HB LEU 11 HB2 LEU 11 -7.646 -4.366 -2.163
88 2HB LEU 11 HB1 LEU 11 -5.916 -4.131 -1.986
89 HG LEU 11 HG LEU 11 -7.211 -1.580 -2.099
90 1HD1 LEU 11 HD11 LEU 11 -8.262 -3.434 0.033
91 2HD1 LEU 11 HD12 LEU 11 -9.197 -2.765 -1.305
92 3HD1 LEU 11 HD13 LEU 11 -8.542 -1.695 -0.065
93 1HD2 LEU 11 HD21 LEU 11 -5.391 -3.092 -0.323
94 2HD2 LEU 11 HD22 LEU 11 -6.249 -1.725 0.387
95 3HD2 LEU 11 HD23 LEU 11 -5.219 -1.482 -1.023
96 H TRP 12 HN TRP 12 -6.726 -1.084 -4.900
97 HA TRP 12 HA TRP 12 -9.537 -1.131 -5.634
98 1HB TRP 12 HB2 TRP 12 -9.324 -0.164 -3.286
99 2HB TRP 12 HB1 TRP 12 -8.470 1.187 -4.023
100 HD1 TRP 12 HD1 TRP 12 -10.085 3.166 -4.123
101 HE1 TRP 12 HE1 TRP 12 -12.545 3.511 -4.797
102 HE3 TRP 12 HE3 TRP 12 -11.362 -1.696 -5.058
103 HZ2 TRP 12 HZ2 TRP 12 -14.736 1.932 -5.614
104 HZ3 TRP 12 HZ3 TRP 12 -13.660 -2.193 -5.782
105 HH2 TRP 12 HH2 TRP 12 -15.312 -0.415 -6.054
106 H ASN 13 HN ASN 13 -8.661 -1.169 -7.755
107 HA ASN 13 HA ASN 13 -7.365 1.330 -8.609
108 1HB ASN 13 HB2 ASN 13 -6.911 -1.440 -9.269
109 2HB ASN 13 HB1 ASN 13 -7.296 -0.529 -10.726
110 1HD2 ASN 13 HD21 ASN 13 -5.829 0.854 -11.552
111 2HD2 ASN 13 HD22 ASN 13 -4.259 1.121 -10.881
Start of MODEL 22
1 1H GLU 1 HT1 GLU 1 2.522 6.341 6.818
2 2H GLU 1 HT2 GLU 1 3.765 7.118 5.926
3 3H GLU 1 HT3 GLU 1 3.454 5.447 5.692
4 HA GLU 1 HA GLU 1 1.163 6.132 5.010
5 1HB GLU 1 HB2 GLU 1 0.964 8.426 4.210
6 2HB GLU 1 HB1 GLU 1 1.363 8.415 5.923
7 1HG GLU 1 HG2 GLU 1 3.587 9.069 5.515
8 2HG GLU 1 HG1 GLU 1 3.448 8.734 3.790
9 H LEU 2 HN LEU 2 4.483 6.743 4.098
10 HA LEU 2 HA LEU 2 3.879 5.704 1.413
11 1HB LEU 2 HB2 LEU 2 5.501 8.101 2.186
12 2HB LEU 2 HB1 LEU 2 5.894 7.214 0.725
13 HG LEU 2 HG LEU 2 3.054 7.923 0.961
14 1HD1 LEU 2 HD11 LEU 2 5.191 10.017 0.987
15 2HD1 LEU 2 HD12 LEU 2 3.674 9.955 1.885
16 3HD1 LEU 2 HD13 LEU 2 3.661 10.301 0.156
17 1HD2 LEU 2 HD21 LEU 2 5.187 7.795 -1.101
18 2HD2 LEU 2 HD22 LEU 2 3.814 8.862 -1.396
19 3HD2 LEU 2 HD23 LEU 2 3.549 7.140 -1.121
20 H LEU 3 HN LEU 3 4.707 4.162 3.600
21 HA LEU 3 HA LEU 3 7.553 3.761 3.472
22 1HB LEU 3 HB2 LEU 3 5.468 3.044 5.226
23 2HB LEU 3 HB1 LEU 3 6.138 1.538 4.629
24 HG LEU 3 HG LEU 3 8.058 3.592 5.589
25 1HD1 LEU 3 HD11 LEU 3 7.750 2.604 7.917
26 2HD1 LEU 3 HD12 LEU 3 6.167 2.069 7.353
27 3HD1 LEU 3 HD13 LEU 3 6.559 3.788 7.379
28 1HD2 LEU 3 HD21 LEU 3 9.267 1.773 5.035
29 2HD2 LEU 3 HD22 LEU 3 7.900 0.675 5.220
30 3HD2 LEU 3 HD23 LEU 3 8.792 1.219 6.641
31 H GLU 4 HN GLU 4 8.302 1.383 3.175
32 HA GLU 4 HA GLU 4 7.846 0.692 0.470
33 1HB GLU 4 HB2 GLU 4 9.146 -1.000 2.610
34 2HB GLU 4 HB1 GLU 4 9.346 -1.168 0.871
35 1HG GLU 4 HG2 GLU 4 10.271 1.206 0.920
36 2HG GLU 4 HG1 GLU 4 10.370 1.001 2.668
37 H LEU 5 HN LEU 5 6.235 -0.168 3.376
38 HA LEU 5 HA LEU 5 5.104 -2.604 2.298
39 1HB LEU 5 HB2 LEU 5 4.075 -2.912 4.406
40 2HB LEU 5 HB1 LEU 5 5.711 -2.351 4.701
41 HG LEU 5 HG LEU 5 3.966 -0.101 4.547
42 1HD1 LEU 5 HD11 LEU 5 2.158 -1.567 5.167
43 2HD1 LEU 5 HD12 LEU 5 2.592 -0.562 6.550
44 3HD1 LEU 5 HD13 LEU 5 3.114 -2.246 6.484
45 1HD2 LEU 5 HD21 LEU 5 6.141 -0.170 5.671
46 2HD2 LEU 5 HD22 LEU 5 5.485 -1.290 6.865
47 3HD2 LEU 5 HD23 LEU 5 4.861 0.357 6.764
48 H ASP 6 HN ASP 6 4.560 0.195 1.181
49 HA ASP 6 HA ASP 6 1.739 0.560 1.646
50 1HB ASP 6 HB2 ASP 6 1.939 2.384 -0.006
51 2HB ASP 6 HB1 ASP 6 3.146 2.512 1.270
52 H LYS 7 HN LYS 7 3.353 -1.695 -0.078
53 HA LYS 7 HA LYS 7 2.122 -1.674 -2.596
54 1HB LYS 7 HB2 LYS 7 2.652 -4.168 -2.554
55 2HB LYS 7 HB1 LYS 7 4.007 -3.063 -2.368
56 1HG LYS 7 HG2 LYS 7 4.494 -3.824 -0.329
57 2HG LYS 7 HG1 LYS 7 2.801 -3.841 0.169
58 1HD LYS 7 HD2 LYS 7 2.446 -5.984 -0.697
59 2HD LYS 7 HD1 LYS 7 3.889 -5.911 -1.710
60 1HE LYS 7 HE2 LYS 7 3.810 -6.111 1.298
61 2HE LYS 7 HE1 LYS 7 4.263 -7.391 0.173
62 1HZ LYS 7 HZ1 LYS 7 5.776 -5.048 1.032
63 2HZ LYS 7 HZ2 LYS 7 5.980 -5.546 -0.571
64 3HZ LYS 7 HZ3 LYS 7 6.311 -6.617 0.694
65 H TRP 8 HN TRP 8 0.855 -2.365 0.470
66 HA TRP 8 HA TRP 8 -1.228 -4.144 -0.388
67 1HB TRP 8 HB2 TRP 8 -0.240 -3.088 2.123
68 2HB TRP 8 HB1 TRP 8 -1.998 -3.020 2.059
69 HD1 TRP 8 HD1 TRP 8 -0.318 -5.889 0.235
70 HE1 TRP 8 HE1 TRP 8 -0.775 -8.079 1.507
71 HE3 TRP 8 HE3 TRP 8 -2.404 -3.944 4.479
72 HZ2 TRP 8 HZ2 TRP 8 -1.874 -8.877 3.981
73 HZ3 TRP 8 HZ3 TRP 8 -3.131 -5.489 6.250
74 HH2 TRP 8 HH2 TRP 8 -2.872 -7.904 6.005
75 H ALA 9 HN ALA 9 -0.751 -0.895 -0.844
76 HA ALA 9 HA ALA 9 -3.515 -0.078 -0.525
77 1HB ALA 9 HB1 ALA 9 -1.642 1.713 -1.924
78 2HB ALA 9 HB2 ALA 9 -1.212 1.290 -0.267
79 3HB ALA 9 HB3 ALA 9 -2.769 2.045 -0.608
80 H SER 10 HN SER 10 -2.507 -2.115 -2.612
81 HA SER 10 HA SER 10 -3.172 -0.790 -5.103
82 1HB SER 10 HB2 SER 10 -1.413 -2.374 -5.292
83 2HB SER 10 HB1 SER 10 -2.324 -3.602 -4.414
84 HG SER 10 HG SER 10 -2.378 -2.950 -7.066
85 H LEU 11 HN LEU 11 -5.089 -1.619 -2.709
86 HA LEU 11 HA LEU 11 -7.025 -3.229 -4.124
87 1HB LEU 11 HB2 LEU 11 -8.362 -3.036 -2.082
88 2HB LEU 11 HB1 LEU 11 -6.731 -3.598 -1.756
89 HG LEU 11 HG LEU 11 -6.454 -0.906 -1.446
90 1HD1 LEU 11 HD11 LEU 11 -8.766 -0.385 -1.646
91 2HD1 LEU 11 HD12 LEU 11 -8.344 -0.255 0.061
92 3HD1 LEU 11 HD13 LEU 11 -9.214 -1.671 -0.527
93 1HD2 LEU 11 HD21 LEU 11 -5.479 -1.997 0.259
94 2HD2 LEU 11 HD22 LEU 11 -6.724 -3.246 0.304
95 3HD2 LEU 11 HD23 LEU 11 -7.003 -1.694 1.093
96 H TRP 12 HN TRP 12 -6.207 -0.116 -4.453
97 HA TRP 12 HA TRP 12 -8.913 0.629 -5.274
98 1HB TRP 12 HB2 TRP 12 -7.614 1.711 -2.997
99 2HB TRP 12 HB1 TRP 12 -7.608 2.963 -4.234
100 HD1 TRP 12 HD1 TRP 12 -10.383 0.411 -3.286
101 HE1 TRP 12 HE1 TRP 12 -12.547 1.733 -2.843
102 HE3 TRP 12 HE3 TRP 12 -8.587 5.153 -3.939
103 HZ2 TRP 12 HZ2 TRP 12 -13.381 4.429 -2.779
104 HZ3 TRP 12 HZ3 TRP 12 -10.133 7.048 -3.669
105 HH2 TRP 12 HH2 TRP 12 -12.481 6.692 -3.102
106 H ASN 13 HN ASN 13 -6.532 -0.229 -6.716
107 HA ASN 13 HA ASN 13 -6.314 2.073 -8.506
108 1HB ASN 13 HB2 ASN 13 -4.252 1.442 -6.779
109 2HB ASN 13 HB1 ASN 13 -3.781 0.626 -8.267
110 1HD2 ASN 13 HD21 ASN 13 -4.901 2.412 -10.105
111 2HD2 ASN 13 HD22 ASN 13 -4.013 3.892 -10.035
Start of MODEL 23
1 1H GLU 1 HT1 GLU 1 5.505 10.068 6.459
2 2H GLU 1 HT2 GLU 1 6.969 9.200 6.676
3 3H GLU 1 HT3 GLU 1 6.033 9.660 8.038
4 HA GLU 1 HA GLU 1 5.661 7.411 7.701
5 1HB GLU 1 HB2 GLU 1 3.647 9.432 7.363
6 2HB GLU 1 HB1 GLU 1 3.180 8.000 6.458
7 1HG GLU 1 HG2 GLU 1 3.253 6.643 8.403
8 2HG GLU 1 HG1 GLU 1 4.016 7.925 9.342
9 H LEU 2 HN LEU 2 7.402 7.499 5.738
10 HA LEU 2 HA LEU 2 6.053 6.758 3.246
11 1HB LEU 2 HB2 LEU 2 8.431 6.752 2.348
12 2HB LEU 2 HB1 LEU 2 7.762 8.304 2.816
13 HG LEU 2 HG LEU 2 9.280 6.921 4.930
14 1HD1 LEU 2 HD11 LEU 2 10.458 7.523 2.285
15 2HD1 LEU 2 HD12 LEU 2 10.922 6.323 3.491
16 3HD1 LEU 2 HD13 LEU 2 11.381 8.012 3.705
17 1HD2 LEU 2 HD21 LEU 2 9.152 9.719 3.824
18 2HD2 LEU 2 HD22 LEU 2 10.222 9.235 5.140
19 3HD2 LEU 2 HD23 LEU 2 8.473 9.124 5.339
20 H LEU 3 HN LEU 3 5.362 4.803 4.611
21 HA LEU 3 HA LEU 3 7.313 2.783 5.135
22 1HB LEU 3 HB2 LEU 3 4.368 2.298 4.794
23 2HB LEU 3 HB1 LEU 3 5.508 1.409 5.785
24 HG LEU 3 HG LEU 3 5.198 4.245 6.514
25 1HD1 LEU 3 HD11 LEU 3 3.045 4.213 7.293
26 2HD1 LEU 3 HD12 LEU 3 2.982 2.452 7.374
27 3HD1 LEU 3 HD13 LEU 3 2.869 3.267 5.814
28 1HD2 LEU 3 HD21 LEU 3 4.808 1.947 8.359
29 2HD2 LEU 3 HD22 LEU 3 5.641 3.480 8.619
30 3HD2 LEU 3 HD23 LEU 3 6.411 2.208 7.671
31 H GLU 4 HN GLU 4 7.473 0.725 4.082
32 HA GLU 4 HA GLU 4 7.267 0.965 1.198
33 1HB GLU 4 HB2 GLU 4 9.133 -0.173 2.853
34 2HB GLU 4 HB1 GLU 4 8.240 -1.580 2.292
35 1HG GLU 4 HG2 GLU 4 9.042 -1.422 0.203
36 2HG GLU 4 HG1 GLU 4 8.981 0.340 0.199
37 H LEU 5 HN LEU 5 5.200 -0.037 3.566
38 HA LEU 5 HA LEU 5 4.138 -2.348 2.189
39 1HB LEU 5 HB2 LEU 5 2.451 -2.337 4.020
40 2HB LEU 5 HB1 LEU 5 4.116 -2.483 4.556
41 HG LEU 5 HG LEU 5 3.510 0.266 4.508
42 1HD1 LEU 5 HD11 LEU 5 1.491 -1.169 6.196
43 2HD1 LEU 5 HD12 LEU 5 1.120 -0.644 4.554
44 3HD1 LEU 5 HD13 LEU 5 1.569 0.542 5.779
45 1HD2 LEU 5 HD21 LEU 5 3.891 -1.716 6.742
46 2HD2 LEU 5 HD22 LEU 5 3.828 0.031 6.977
47 3HD2 LEU 5 HD23 LEU 5 5.113 -0.683 6.001
48 H ASP 6 HN ASP 6 4.034 0.592 1.182
49 HA ASP 6 HA ASP 6 1.220 1.141 1.037
50 1HB ASP 6 HB2 ASP 6 1.888 2.988 -0.456
51 2HB ASP 6 HB1 ASP 6 2.812 2.983 1.043
52 H LYS 7 HN LYS 7 3.023 -1.164 -0.452
53 HA LYS 7 HA LYS 7 2.070 -0.915 -3.138
54 1HB LYS 7 HB2 LYS 7 3.140 -3.414 -1.835
55 2HB LYS 7 HB1 LYS 7 3.133 -3.011 -3.546
56 1HG LYS 7 HG2 LYS 7 4.753 -1.250 -3.168
57 2HG LYS 7 HG1 LYS 7 4.722 -1.571 -1.433
58 1HD LYS 7 HD2 LYS 7 5.827 -3.601 -1.660
59 2HD LYS 7 HD1 LYS 7 5.394 -3.758 -3.364
60 1HE LYS 7 HE2 LYS 7 7.467 -3.034 -3.782
61 2HE LYS 7 HE1 LYS 7 6.859 -1.441 -3.333
62 1HZ LYS 7 HZ1 LYS 7 8.617 -1.585 -1.931
63 2HZ LYS 7 HZ2 LYS 7 8.566 -3.272 -1.828
64 3HZ LYS 7 HZ3 LYS 7 7.467 -2.338 -0.945
65 H TRP 8 HN TRP 8 0.480 -1.684 -0.347
66 HA TRP 8 HA TRP 8 -1.189 -3.787 -1.439
67 1HB TRP 8 HB2 TRP 8 -0.837 -2.494 1.207
68 2HB TRP 8 HB1 TRP 8 -2.439 -3.131 0.850
69 HD1 TRP 8 HD1 TRP 8 -2.783 -5.637 1.303
70 HE1 TRP 8 HE1 TRP 8 -1.241 -7.633 1.818
71 HE3 TRP 8 HE3 TRP 8 1.745 -3.372 0.589
72 HZ2 TRP 8 HZ2 TRP 8 1.528 -8.176 1.909
73 HZ3 TRP 8 HZ3 TRP 8 3.792 -4.700 0.911
74 HH2 TRP 8 HH2 TRP 8 3.684 -7.052 1.557
75 H ALA 9 HN ALA 9 -1.071 -0.726 -2.253
76 HA ALA 9 HA ALA 9 -3.816 0.070 -1.856
77 1HB ALA 9 HB1 ALA 9 -2.170 1.512 -3.831
78 2HB ALA 9 HB2 ALA 9 -1.559 1.491 -2.177
79 3HB ALA 9 HB3 ALA 9 -3.168 2.128 -2.514
80 H SER 10 HN SER 10 -2.505 -2.176 -3.825
81 HA SER 10 HA SER 10 -3.740 -1.497 -6.318
82 1HB SER 10 HB2 SER 10 -3.020 -3.691 -7.059
83 2HB SER 10 HB1 SER 10 -1.715 -2.937 -6.143
84 HG SER 10 HG SER 10 -1.918 -4.404 -4.628
85 H LEU 11 HN LEU 11 -5.019 -2.536 -3.424
86 HA LEU 11 HA LEU 11 -7.006 -4.324 -4.478
87 1HB LEU 11 HB2 LEU 11 -7.954 -4.269 -2.216
88 2HB LEU 11 HB1 LEU 11 -6.243 -4.657 -2.220
89 HG LEU 11 HG LEU 11 -6.132 -1.980 -1.894
90 1HD1 LEU 11 HD11 LEU 11 -8.400 -1.480 -1.704
91 2HD1 LEU 11 HD12 LEU 11 -7.846 -1.565 -0.032
92 3HD1 LEU 11 HD13 LEU 11 -8.732 -2.917 -0.738
93 1HD2 LEU 11 HD21 LEU 11 -5.497 -2.418 0.334
94 2HD2 LEU 11 HD22 LEU 11 -5.089 -3.877 -0.569
95 3HD2 LEU 11 HD23 LEU 11 -6.539 -3.838 0.434
96 H TRP 12 HN TRP 12 -6.646 -1.088 -4.770
97 HA TRP 12 HA TRP 12 -9.555 -0.624 -4.797
98 1HB TRP 12 HB2 TRP 12 -7.963 0.717 -3.181
99 2HB TRP 12 HB1 TRP 12 -7.607 1.642 -4.636
100 HD1 TRP 12 HD1 TRP 12 -8.956 3.809 -4.535
101 HE1 TRP 12 HE1 TRP 12 -11.373 4.455 -3.929
102 HE3 TRP 12 HE3 TRP 12 -10.678 -0.776 -3.067
103 HZ2 TRP 12 HZ2 TRP 12 -13.701 3.188 -2.958
104 HZ3 TRP 12 HZ3 TRP 12 -13.012 -0.973 -2.313
105 HH2 TRP 12 HH2 TRP 12 -14.491 0.969 -2.260
106 H ASN 13 HN ASN 13 -7.809 -1.717 -6.915
107 HA ASN 13 HA ASN 13 -7.543 -1.546 -9.165
108 1HB ASN 13 HB2 ASN 13 -10.050 -0.592 -8.655
109 2HB ASN 13 HB1 ASN 13 -9.332 0.769 -9.512
110 1HD2 ASN 13 HD21 ASN 13 -11.464 -1.011 -10.344
111 2HD2 ASN 13 HD22 ASN 13 -10.941 -1.740 -11.821
Start of MODEL 24
1 1H GLU 1 HT1 GLU 1 3.566 10.061 3.643
2 2H GLU 1 HT2 GLU 1 5.099 9.363 3.973
3 3H GLU 1 HT3 GLU 1 4.064 9.818 5.264
4 HA GLU 1 HA GLU 1 3.854 7.558 5.137
5 1HB GLU 1 HB2 GLU 1 1.751 9.224 4.785
6 2HB GLU 1 HB1 GLU 1 1.565 8.199 3.369
7 1HG GLU 1 HG2 GLU 1 0.865 6.455 4.573
8 2HG GLU 1 HG1 GLU 1 2.062 6.723 5.840
9 H LEU 2 HN LEU 2 5.540 6.655 3.890
10 HA LEU 2 HA LEU 2 4.643 5.665 1.287
11 1HB LEU 2 HB2 LEU 2 6.347 7.730 1.320
12 2HB LEU 2 HB1 LEU 2 7.504 6.425 1.498
13 HG LEU 2 HG LEU 2 5.698 5.766 -0.624
14 1HD1 LEU 2 HD11 LEU 2 5.243 8.104 -0.892
15 2HD1 LEU 2 HD12 LEU 2 6.326 7.590 -2.185
16 3HD1 LEU 2 HD13 LEU 2 6.960 8.495 -0.810
17 1HD2 LEU 2 HD21 LEU 2 7.905 5.950 -1.918
18 2HD2 LEU 2 HD22 LEU 2 7.810 4.773 -0.607
19 3HD2 LEU 2 HD23 LEU 2 8.635 6.311 -0.353
20 H LEU 3 HN LEU 3 4.557 4.230 3.610
21 HA LEU 3 HA LEU 3 6.839 2.755 4.267
22 1HB LEU 3 HB2 LEU 3 3.976 2.595 4.763
23 2HB LEU 3 HB1 LEU 3 4.714 1.009 4.640
24 HG LEU 3 HG LEU 3 6.266 1.542 6.426
25 1HD1 LEU 3 HD11 LEU 3 6.584 3.905 5.978
26 2HD1 LEU 3 HD12 LEU 3 6.095 3.657 7.654
27 3HD1 LEU 3 HD13 LEU 3 4.925 4.241 6.472
28 1HD2 LEU 3 HD21 LEU 3 3.342 1.891 6.857
29 2HD2 LEU 3 HD22 LEU 3 4.436 2.154 8.214
30 3HD2 LEU 3 HD23 LEU 3 4.416 0.596 7.387
31 H GLU 4 HN GLU 4 6.880 0.266 3.939
32 HA GLU 4 HA GLU 4 7.026 -0.168 1.075
33 1HB GLU 4 HB2 GLU 4 8.857 -0.829 2.678
34 2HB GLU 4 HB1 GLU 4 7.784 -2.084 3.282
35 1HG GLU 4 HG2 GLU 4 8.803 -3.362 1.759
36 2HG GLU 4 HG1 GLU 4 7.698 -2.583 0.627
37 H LEU 5 HN LEU 5 5.105 -1.198 3.800
38 HA LEU 5 HA LEU 5 3.799 -3.292 2.291
39 1HB LEU 5 HB2 LEU 5 2.621 -3.817 4.289
40 2HB LEU 5 HB1 LEU 5 4.301 -3.532 4.709
41 HG LEU 5 HG LEU 5 2.771 -1.101 4.892
42 1HD1 LEU 5 HD11 LEU 5 1.218 -1.606 6.568
43 2HD1 LEU 5 HD12 LEU 5 1.903 -3.208 6.842
44 3HD1 LEU 5 HD13 LEU 5 0.997 -2.877 5.365
45 1HD2 LEU 5 HD21 LEU 5 4.530 -2.738 6.674
46 2HD2 LEU 5 HD22 LEU 5 3.649 -1.349 7.310
47 3HD2 LEU 5 HD23 LEU 5 4.809 -1.133 5.999
48 H ASP 6 HN ASP 6 3.562 -0.128 2.016
49 HA ASP 6 HA ASP 6 0.681 0.139 2.147
50 1HB ASP 6 HB2 ASP 6 2.856 2.068 1.328
51 2HB ASP 6 HB1 ASP 6 1.141 2.468 1.324
52 H LYS 7 HN LYS 7 2.997 -0.821 -0.130
53 HA LYS 7 HA LYS 7 1.804 0.080 -2.510
54 1HB LYS 7 HB2 LYS 7 4.137 -1.106 -1.959
55 2HB LYS 7 HB1 LYS 7 3.241 -2.514 -2.514
56 1HG LYS 7 HG2 LYS 7 3.509 -1.921 -4.624
57 2HG LYS 7 HG1 LYS 7 2.818 -0.329 -4.309
58 1HD LYS 7 HD2 LYS 7 4.913 0.603 -3.800
59 2HD LYS 7 HD1 LYS 7 5.662 -0.982 -3.598
60 1HE LYS 7 HE2 LYS 7 6.362 0.043 -5.691
61 2HE LYS 7 HE1 LYS 7 5.407 -1.407 -5.994
62 1HZ LYS 7 HZ1 LYS 7 3.486 -0.009 -6.431
63 2HZ LYS 7 HZ2 LYS 7 4.764 0.399 -7.461
64 3HZ LYS 7 HZ3 LYS 7 4.401 1.384 -6.135
65 H TRP 8 HN TRP 8 1.038 -2.465 -0.364
66 HA TRP 8 HA TRP 8 -0.522 -3.996 -2.225
67 1HB TRP 8 HB2 TRP 8 0.563 -5.064 -0.290
68 2HB TRP 8 HB1 TRP 8 -0.441 -4.110 0.796
69 HD1 TRP 8 HD1 TRP 8 -0.605 -7.097 -1.586
70 HE1 TRP 8 HE1 TRP 8 -2.778 -8.397 -1.126
71 HE3 TRP 8 HE3 TRP 8 -2.824 -3.844 1.675
72 HZ2 TRP 8 HZ2 TRP 8 -5.123 -8.085 0.414
73 HZ3 TRP 8 HZ3 TRP 8 -5.032 -4.419 2.595
74 HH2 TRP 8 HH2 TRP 8 -6.157 -6.496 1.977
75 H ALA 9 HN ALA 9 -1.029 -1.124 -0.578
76 HA ALA 9 HA ALA 9 -3.887 -1.458 -0.217
77 1HB ALA 9 HB1 ALA 9 -3.840 0.814 0.660
78 2HB ALA 9 HB2 ALA 9 -2.154 0.980 0.170
79 3HB ALA 9 HB3 ALA 9 -2.598 -0.179 1.422
80 H SER 10 HN SER 10 -1.701 -0.231 -2.598
81 HA SER 10 HA SER 10 -3.726 1.348 -3.942
82 1HB SER 10 HB2 SER 10 -1.710 1.358 -5.703
83 2HB SER 10 HB1 SER 10 -1.733 2.411 -4.288
84 HG SER 10 HG SER 10 0.194 1.453 -4.133
85 H LEU 11 HN LEU 11 -3.481 -1.823 -3.691
86 HA LEU 11 HA LEU 11 -3.598 -2.544 -6.493
87 1HB LEU 11 HB2 LEU 11 -4.303 -4.409 -4.266
88 2HB LEU 11 HB1 LEU 11 -3.562 -4.767 -5.813
89 HG LEU 11 HG LEU 11 -2.192 -3.336 -3.536
90 1HD1 LEU 11 HD11 LEU 11 -2.471 -5.556 -2.824
91 2HD1 LEU 11 HD12 LEU 11 -0.843 -5.492 -3.500
92 3HD1 LEU 11 HD13 LEU 11 -2.159 -6.201 -4.436
93 1HD2 LEU 11 HD21 LEU 11 -1.394 -4.061 -6.315
94 2HD2 LEU 11 HD22 LEU 11 -0.180 -4.089 -5.035
95 3HD2 LEU 11 HD23 LEU 11 -1.054 -2.599 -5.389
96 H TRP 12 HN TRP 12 -5.745 -1.246 -4.347
97 HA TRP 12 HA TRP 12 -8.037 -2.450 -5.750
98 1HB TRP 12 HB2 TRP 12 -7.577 -2.631 -3.071
99 2HB TRP 12 HB1 TRP 12 -8.578 -1.184 -3.145
100 HD1 TRP 12 HD1 TRP 12 -10.969 -1.869 -2.562
101 HE1 TRP 12 HE1 TRP 12 -12.556 -3.785 -3.224
102 HE3 TRP 12 HE3 TRP 12 -7.772 -4.608 -5.462
103 HZ2 TRP 12 HZ2 TRP 12 -12.465 -6.144 -4.771
104 HZ3 TRP 12 HZ3 TRP 12 -8.600 -6.682 -6.497
105 HH2 TRP 12 HH2 TRP 12 -10.898 -7.433 -6.156
106 H ASN 13 HN ASN 13 -6.260 0.342 -5.367
107 HA ASN 13 HA ASN 13 -8.441 2.223 -5.498
108 1HB ASN 13 HB2 ASN 13 -6.174 2.670 -4.430
109 2HB ASN 13 HB1 ASN 13 -5.532 2.789 -6.066
110 1HD2 ASN 13 HD21 ASN 13 -6.590 4.551 -3.559
111 2HD2 ASN 13 HD22 ASN 13 -7.138 5.966 -4.385
Start of MODEL 25
1 1H GLU 1 HT1 GLU 1 6.050 10.226 4.674
2 2H GLU 1 HT2 GLU 1 4.361 10.497 4.524
3 3H GLU 1 HT3 GLU 1 5.192 9.570 3.343
4 HA GLU 1 HA GLU 1 4.933 8.839 6.180
5 1HB GLU 1 HB2 GLU 1 2.919 8.914 4.327
6 2HB GLU 1 HB1 GLU 1 3.533 7.281 4.112
7 1HG GLU 1 HG2 GLU 1 1.856 7.036 5.691
8 2HG GLU 1 HG1 GLU 1 3.331 7.076 6.656
9 H LEU 2 HN LEU 2 5.429 7.599 2.869
10 HA LEU 2 HA LEU 2 6.816 6.005 2.031
11 1HB LEU 2 HB2 LEU 2 8.372 7.171 4.282
12 2HB LEU 2 HB1 LEU 2 8.967 5.684 3.570
13 HG LEU 2 HG LEU 2 10.003 7.727 2.617
14 1HD1 LEU 2 HD11 LEU 2 10.276 6.056 1.113
15 2HD1 LEU 2 HD12 LEU 2 9.209 7.082 0.156
16 3HD1 LEU 2 HD13 LEU 2 8.552 5.698 1.028
17 1HD2 LEU 2 HD21 LEU 2 7.489 8.294 1.130
18 2HD2 LEU 2 HD22 LEU 2 8.835 9.363 1.525
19 3HD2 LEU 2 HD23 LEU 2 7.664 8.923 2.768
20 H LEU 3 HN LEU 3 4.756 4.844 3.125
21 HA LEU 3 HA LEU 3 5.523 2.972 5.193
22 1HB LEU 3 HB2 LEU 3 3.060 3.934 4.023
23 2HB LEU 3 HB1 LEU 3 3.062 2.182 4.111
24 HG LEU 3 HG LEU 3 2.034 3.023 6.098
25 1HD1 LEU 3 HD11 LEU 3 3.145 1.742 7.613
26 2HD1 LEU 3 HD12 LEU 3 4.724 2.393 7.175
27 3HD1 LEU 3 HD13 LEU 3 3.949 1.193 6.142
28 1HD2 LEU 3 HD21 LEU 3 4.483 4.490 6.944
29 2HD2 LEU 3 HD22 LEU 3 2.799 4.743 7.405
30 3HD2 LEU 3 HD23 LEU 3 3.368 5.266 5.820
31 H GLU 4 HN GLU 4 5.470 0.684 4.949
32 HA GLU 4 HA GLU 4 6.533 -0.178 2.398
33 1HB GLU 4 HB2 GLU 4 6.892 -0.943 5.082
34 2HB GLU 4 HB1 GLU 4 6.160 -2.327 4.283
35 1HG GLU 4 HG2 GLU 4 8.288 -1.155 2.704
36 2HG GLU 4 HG1 GLU 4 8.836 -1.654 4.304
37 H LEU 5 HN LEU 5 3.475 -0.034 3.812
38 HA LEU 5 HA LEU 5 2.438 -2.411 2.529
39 1HB LEU 5 HB2 LEU 5 0.379 -1.933 3.592
40 2HB LEU 5 HB1 LEU 5 1.651 -1.627 4.762
41 HG LEU 5 HG LEU 5 1.097 0.779 3.334
42 1HD1 LEU 5 HD11 LEU 5 -1.146 1.115 3.492
43 2HD1 LEU 5 HD12 LEU 5 -1.329 0.004 4.850
44 3HD1 LEU 5 HD13 LEU 5 -1.150 -0.626 3.212
45 1HD2 LEU 5 HD21 LEU 5 2.125 0.620 5.550
46 2HD2 LEU 5 HD22 LEU 5 0.608 0.008 6.207
47 3HD2 LEU 5 HD23 LEU 5 0.694 1.651 5.571
48 H ASP 6 HN ASP 6 3.484 0.130 1.080
49 HA ASP 6 HA ASP 6 1.254 1.238 -0.262
50 1HB ASP 6 HB2 ASP 6 4.188 1.177 -0.968
51 2HB ASP 6 HB1 ASP 6 2.984 2.071 -1.891
52 H LYS 7 HN LYS 7 2.733 -1.778 -0.540
53 HA LYS 7 HA LYS 7 2.330 -2.192 -3.331
54 1HB LYS 7 HB2 LYS 7 4.019 -3.477 -2.182
55 2HB LYS 7 HB1 LYS 7 2.826 -4.112 -1.058
56 1HG LYS 7 HG2 LYS 7 2.364 -5.797 -2.409
57 2HG LYS 7 HG1 LYS 7 2.040 -4.697 -3.750
58 1HD LYS 7 HD2 LYS 7 4.267 -4.751 -4.480
59 2HD LYS 7 HD1 LYS 7 4.845 -5.406 -2.947
60 1HE LYS 7 HE2 LYS 7 2.896 -7.168 -4.116
61 2HE LYS 7 HE1 LYS 7 4.178 -6.821 -5.275
62 1HZ LYS 7 HZ1 LYS 7 4.904 -7.527 -2.520
63 2HZ LYS 7 HZ2 LYS 7 5.759 -7.787 -3.956
64 3HZ LYS 7 HZ3 LYS 7 4.426 -8.758 -3.578
65 H TRP 8 HN TRP 8 0.370 -2.381 -0.539
66 HA TRP 8 HA TRP 8 -1.641 -4.061 -1.780
67 1HB TRP 8 HB2 TRP 8 -1.284 -2.828 0.921
68 2HB TRP 8 HB1 TRP 8 -2.892 -3.341 0.422
69 HD1 TRP 8 HD1 TRP 8 0.446 -4.690 1.586
70 HE1 TRP 8 HE1 TRP 8 0.260 -7.234 1.927
71 HE3 TRP 8 HE3 TRP 8 -4.147 -5.459 -0.523
72 HZ2 TRP 8 HZ2 TRP 8 -1.588 -9.295 1.374
73 HZ3 TRP 8 HZ3 TRP 8 -5.052 -7.747 -0.578
74 HH2 TRP 8 HH2 TRP 8 -3.797 -9.624 0.351
75 H ALA 9 HN ALA 9 -0.814 -0.866 -2.011
76 HA ALA 9 HA ALA 9 -3.384 0.364 -1.934
77 1HB ALA 9 HB1 ALA 9 -2.311 2.320 -2.724
78 2HB ALA 9 HB2 ALA 9 -0.965 1.398 -3.393
79 3HB ALA 9 HB3 ALA 9 -1.164 1.527 -1.645
80 H SER 10 HN SER 10 -1.232 -0.558 -4.627
81 HA SER 10 HA SER 10 -2.976 0.128 -6.693
82 1HB SER 10 HB2 SER 10 -1.249 -2.227 -7.158
83 2HB SER 10 HB1 SER 10 -1.395 -0.735 -8.086
84 HG SER 10 HG SER 10 0.193 -1.299 -5.847
85 H LEU 11 HN LEU 11 -2.939 -2.592 -4.594
86 HA LEU 11 HA LEU 11 -4.735 -4.154 -6.252
87 1HB LEU 11 HB2 LEU 11 -4.097 -4.840 -3.414
88 2HB LEU 11 HB1 LEU 11 -4.420 -5.909 -4.766
89 HG LEU 11 HG LEU 11 -1.905 -4.268 -4.475
90 1HD1 LEU 11 HD11 LEU 11 -2.683 -6.882 -3.377
91 2HD1 LEU 11 HD12 LEU 11 -1.440 -5.749 -2.848
92 3HD1 LEU 11 HD13 LEU 11 -1.122 -6.839 -4.197
93 1HD2 LEU 11 HD21 LEU 11 -1.053 -5.679 -6.252
94 2HD2 LEU 11 HD22 LEU 11 -2.522 -4.859 -6.781
95 3HD2 LEU 11 HD23 LEU 11 -2.581 -6.559 -6.316
96 H TRP 12 HN TRP 12 -5.123 -1.566 -4.274
97 HA TRP 12 HA TRP 12 -7.954 -1.960 -4.079
98 1HB TRP 12 HB2 TRP 12 -7.248 -3.209 -2.094
99 2HB TRP 12 HB1 TRP 12 -6.331 -1.816 -1.528
100 HD1 TRP 12 HD1 TRP 12 -7.580 -0.852 0.483
101 HE1 TRP 12 HE1 TRP 12 -10.027 -0.273 1.033
102 HE3 TRP 12 HE3 TRP 12 -9.808 -2.609 -3.771
103 HZ2 TRP 12 HZ2 TRP 12 -12.565 -0.527 -0.176
104 HZ3 TRP 12 HZ3 TRP 12 -12.249 -2.403 -3.995
105 HH2 TRP 12 HH2 TRP 12 -13.598 -1.383 -2.234
106 H ASN 13 HN ASN 13 -7.946 -0.064 -5.331
107 HA ASN 13 HA ASN 13 -7.845 2.361 -3.764
108 1HB ASN 13 HB2 ASN 13 -5.516 1.779 -4.959
109 2HB ASN 13 HB1 ASN 13 -6.323 2.572 -6.308
110 1HD2 ASN 13 HD21 ASN 13 -6.265 3.132 -2.804
111 2HD2 ASN 13 HD22 ASN 13 -5.794 4.791 -2.907
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