Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
589349 | 2mym RC | 25457 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASN 1 H ASN 1 1.808 0.001 0.855
2 HA ASN 1 HA ASN 1 2.921 -0.683 -1.121
3 HB2 ASN 1 2HB ASN 1 0.469 -1.159 -2.023
4 HB3 ASN 1 3HB ASN 1 0.734 0.370 -2.856
5 HD21 ASN 1 1HD2 ASN 1 1.300 -2.953 -2.861
6 HD22 ASN 1 2HD2 ASN 1 2.401 -3.015 -4.191
7 H SER 2 H SER 2 4.485 0.648 -1.764
8 HA SER 2 HA SER 2 3.935 3.303 -2.730
9 HB2 SER 2 2HB SER 2 4.214 3.128 -0.015
10 HB3 SER 2 3HB SER 2 5.875 3.439 -0.517
11 HG SER 2 HG SER 2 5.236 5.329 -1.457
12 H GLY 3 H GLY 3 6.375 1.003 -1.586
13 HA2 GLY 3 2HA GLY 3 7.835 0.397 -3.646
14 HA3 GLY 3 3HA GLY 3 8.284 2.093 -3.537
15 H LEU 4 H LEU 4 10.291 2.197 -2.779
16 HA LEU 4 HA LEU 4 10.943 1.500 -0.146
17 HB2 LEU 4 2HB LEU 4 10.989 -0.769 -0.718
18 HB3 LEU 4 3HB LEU 4 11.759 -0.451 -2.271
19 HG LEU 4 HG LEU 4 13.842 0.145 -1.060
20 HD11 LEU 4 1HD1 LEU 4 12.221 -0.717 1.324
21 HD12 LEU 4 2HD1 LEU 4 13.034 0.826 1.063
22 HD13 LEU 4 3HD1 LEU 4 13.983 -0.637 1.323
23 HD21 LEU 4 3HD2 LEU 4 14.399 -2.177 -0.396
24 HD22 LEU 4 1HD2 LEU 4 13.612 -2.069 -1.971
25 HD23 LEU 4 2HD2 LEU 4 12.693 -2.598 -0.561
26 H SER 5 H SER 5 12.381 1.706 -3.394
27 HA SER 5 HA SER 5 14.858 2.743 -2.650
28 HB2 SER 5 2HB SER 5 13.255 3.152 -5.183
29 HB3 SER 5 3HB SER 5 14.933 3.660 -4.991
30 HG SER 5 HG SER 5 15.576 1.625 -5.049
31 H PHE 6 H PHE 6 11.751 4.288 -2.973
32 HA PHE 6 HA PHE 6 12.725 6.970 -3.005
33 HB2 PHE 6 2HB PHE 6 10.164 5.641 -3.103
34 HB3 PHE 6 3HB PHE 6 10.111 6.989 -1.972
35 HD1 PHE 6 HD1 PHE 6 10.912 6.066 -5.463
36 HD2 PHE 6 HD2 PHE 6 10.008 9.204 -2.733
37 HE1 PHE 6 HE1 PHE 6 10.663 7.628 -7.347
38 HE2 PHE 6 HE2 PHE 6 9.756 10.771 -4.613
39 HZ PHE 6 HZ PHE 6 10.083 9.984 -6.924
40 H GLU 7 H GLU 7 11.574 4.775 -0.489
41 HA GLU 7 HA GLU 7 11.661 6.697 1.609
42 HB2 GLU 7 2HB GLU 7 10.480 4.331 1.431
43 HB3 GLU 7 3HB GLU 7 11.979 3.783 2.169
44 HG2 GLU 7 2HG GLU 7 11.052 6.067 3.589
45 HG3 GLU 7 3HG GLU 7 9.720 4.925 3.415
46 H GLU 8 H GLU 8 14.013 4.661 0.094
47 HA GLU 8 HA GLU 8 15.927 4.812 2.241
48 HB2 GLU 8 2HB GLU 8 15.722 2.952 0.483
49 HB3 GLU 8 3HB GLU 8 16.537 4.062 -0.610
50 HG2 GLU 8 2HG GLU 8 18.073 4.041 1.725
51 HG3 GLU 8 3HG GLU 8 17.636 2.361 1.420
52 HNA MK8 9 H MK8 9 15.231 6.613 -0.771
53 HB MK8 9 2HB MK8 9 15.346 8.219 -2.447
54 HBA MK8 9 3HB MK8 9 16.333 9.670 -2.343
55 HD MK8 9 2HD MK8 9 18.532 9.082 -4.656
56 HDA MK8 9 3HD MK8 9 18.480 9.805 -3.036
57 HE MK8 9 HE MK8 9 20.114 7.767 -2.194
58 HG MK8 9 2HG MK8 9 17.791 7.011 -2.806
59 HGA MK8 9 3HG MK8 9 16.827 7.649 -4.135
60 HB1 MK8 9 HBA MK8 9 18.813 8.849 -0.995
61 HB1A MK8 9 HGA MK8 9 18.626 8.259 0.371
62 HB1B MK8 9 HDA MK8 9 18.733 7.361 -0.826
63 H TYR 10 H TYR 10 14.785 7.923 0.719
64 HA TYR 10 HA TYR 10 14.452 10.689 1.535
65 HB2 TYR 10 2HB TYR 10 12.478 9.347 0.937
66 HB3 TYR 10 3HB TYR 10 12.840 8.228 2.246
67 HD1 TYR 10 HD2 TYR 10 12.622 11.954 1.956
68 HD2 TYR 10 HD1 TYR 10 11.368 8.440 4.001
69 HE1 TYR 10 HE2 TYR 10 11.290 13.333 3.496
70 HE2 TYR 10 HE1 TYR 10 10.031 9.809 5.546
71 HH TYR 10 HH TYR 10 10.206 13.306 5.523
72 H ARG 11 H ARG 11 16.224 8.083 2.593
73 HA ARG 11 HA ARG 11 16.409 9.227 5.296
74 HB2 ARG 11 2HB ARG 11 15.285 6.770 4.778
75 HB3 ARG 11 3HB ARG 11 16.952 6.352 5.152
76 HG2 ARG 11 2HG ARG 11 15.836 8.269 7.027
77 HG3 ARG 11 3HG ARG 11 14.929 6.756 6.968
78 HD2 ARG 11 2HD ARG 11 17.226 5.615 7.142
79 HD3 ARG 11 3HD ARG 11 17.816 7.196 7.653
80 HE ARG 11 HE ARG 11 15.686 6.752 9.275
81 HH11 ARG 11 1HH1 ARG 11 18.552 4.936 8.493
82 HH12 ARG 11 2HH1 ARG 11 18.643 4.164 10.041
83 HH21 ARG 11 1HH2 ARG 11 15.795 5.741 11.317
84 HH22 ARG 11 2HH2 ARG 11 17.074 4.622 11.646
85 H ASN 12 H ASN 12 17.956 8.781 2.498
86 HA ASN 12 HA ASN 12 20.577 8.559 3.818
87 HB2 ASN 12 2HB ASN 12 19.636 6.597 2.225
88 HB3 ASN 12 3HB ASN 12 20.380 7.632 1.009
89 HD21 ASN 12 1HD2 ASN 12 22.637 8.364 1.575
90 HD22 ASN 12 2HD2 ASN 12 23.687 7.174 2.257
91 HNA MK8 13 H MK8 13 18.566 10.023 1.260
92 HB MK8 13 2HB MK8 13 18.434 10.832 -0.929
93 HBA MK8 13 3HB MK8 13 18.519 12.587 -0.987
94 HD MK8 13 2HD MK8 13 22.066 10.559 -1.673
95 HDA MK8 13 3HD MK8 13 20.638 9.597 -1.240
96 HE MK8 13 HE MK8 13 20.611 10.368 -4.125
97 HG MK8 13 2HG MK8 13 19.659 11.596 -2.984
98 HGA MK8 13 3HG MK8 13 20.826 12.475 -1.999
99 HB1 MK8 13 HBA MK8 13 21.839 12.256 1.198
100 HB1A MK8 13 HGA MK8 13 21.908 11.140 0.198
101 HB1B MK8 13 HDA MK8 13 21.667 12.547 -0.263
102 H TYR 14 H TYR 14 17.632 11.638 1.645
103 HA TYR 14 HA TYR 14 17.245 14.378 2.253
104 HB2 TYR 14 2HB TYR 14 15.687 12.045 2.288
105 HB3 TYR 14 3HB TYR 14 15.686 12.631 3.948
106 HD1 TYR 14 HD2 TYR 14 15.189 13.861 0.458
107 HD2 TYR 14 HD1 TYR 14 14.141 14.242 4.564
108 HE1 TYR 14 HE2 TYR 14 13.481 15.528 -0.139
109 HE2 TYR 14 HE1 TYR 14 12.429 15.909 3.979
110 HH TYR 14 HH TYR 14 11.061 16.512 1.964
111 H THR 15 H THR 15 18.597 11.678 4.017
112 HA THR 15 HA THR 15 18.625 13.007 6.558
113 HB THR 15 HB THR 15 20.124 10.551 5.624
114 HG1 THR 15 HG1 THR 15 17.915 10.592 7.389
115 HG21 THR 15 1HG2 THR 15 20.065 10.202 8.234
116 HG22 THR 15 2HG2 THR 15 19.980 11.964 8.248
117 HG23 THR 15 3HG2 THR 15 21.344 11.152 7.479
118 H MET 16 H MET 16 20.660 12.964 3.782
119 HA MET 16 HA MET 16 23.011 13.889 5.201
120 HB2 MET 16 2HB MET 16 22.947 12.414 3.072
121 HB3 MET 16 3HB MET 16 22.677 13.927 2.216
122 HG2 MET 16 2HG MET 16 24.847 14.319 2.212
123 HG3 MET 16 3HG MET 16 24.859 14.312 3.974
124 HE1 MET 16 3HE MET 16 27.006 11.902 4.949
125 HE2 MET 16 1HE MET 16 25.631 12.932 5.350
126 HE3 MET 16 2HE MET 16 25.415 11.187 5.213
127 H VAL 17 H VAL 17 20.298 15.229 3.528
128 HA VAL 17 HA VAL 17 21.479 17.805 3.051
129 HB VAL 17 HB VAL 17 18.564 17.006 3.033
130 HG11 VAL 17 1HG1 VAL 17 20.020 19.495 2.230
131 HG12 VAL 17 2HG1 VAL 17 18.509 19.043 1.439
132 HG13 VAL 17 3HG1 VAL 17 18.545 19.321 3.181
133 HG21 VAL 17 3HG2 VAL 17 19.714 17.487 0.446
134 HG22 VAL 17 1HG2 VAL 17 20.631 16.244 1.298
135 HG23 VAL 17 2HG2 VAL 17 18.895 16.048 1.054
136 H LEU 18 H LEU 18 19.352 16.388 5.487
137 HA LEU 18 HA LEU 18 18.899 18.852 6.867
138 HB2 LEU 18 2HB LEU 18 17.625 17.632 8.356
139 HB3 LEU 18 3HB LEU 18 17.477 16.703 6.866
140 HG LEU 18 HG LEU 18 19.526 15.391 7.956
141 HD11 LEU 18 1HD1 LEU 18 18.345 16.958 10.138
142 HD12 LEU 18 2HD1 LEU 18 19.931 16.198 10.010
143 HD13 LEU 18 3HD1 LEU 18 18.526 15.235 10.469
144 HD21 LEU 18 3HD2 LEU 18 17.125 14.683 7.275
145 HD22 LEU 18 1HD2 LEU 18 16.790 14.791 9.003
146 HD23 LEU 18 2HD2 LEU 18 18.032 13.686 8.414
147 H HIS 19 H HIS 19 21.263 16.294 7.045
148 HA HIS 19 HA HIS 19 22.309 16.996 9.604
149 HB2 HIS 19 2HB HIS 19 22.756 14.788 8.916
150 HB3 HIS 19 3HB HIS 19 23.317 15.303 7.328
151 HD1 HIS 19 HD1 HIS 19 25.720 16.418 7.248
152 HD2 HIS 19 HD2 HIS 19 24.696 14.638 10.860
153 HE1 HIS 19 HE1 HIS 19 27.880 16.168 8.510
154 H LYS 20 H LYS 20 23.528 17.500 6.291
155 HA LYS 20 HA LYS 20 25.668 19.183 7.111
156 HB2 LYS 20 2HB LYS 20 25.893 18.034 5.034
157 HB3 LYS 20 3HB LYS 20 24.368 18.676 4.437
158 HG2 LYS 20 2HG LYS 20 26.185 20.805 5.130
159 HG3 LYS 20 3HG LYS 20 26.916 19.686 3.976
160 HD2 LYS 20 2HD LYS 20 25.835 20.968 2.464
161 HD3 LYS 20 3HD LYS 20 24.460 19.948 2.895
162 HE2 LYS 20 2HE LYS 20 23.416 21.608 4.033
163 HE3 LYS 20 3HE LYS 20 24.927 22.318 4.598
164 HZ1 LYS 20 3HZ LYS 20 24.509 23.887 3.088
165 HZ2 LYS 20 1HZ LYS 20 23.363 22.949 2.268
166 HZ3 LYS 20 2HZ LYS 20 25.010 22.758 1.932
Start of MODEL 2
1 H1 ASN 1 H ASN 1 4.915 2.173 -8.009
2 HA ASN 1 HA ASN 1 7.371 3.466 -7.017
3 HB2 ASN 1 2HB ASN 1 4.643 3.323 -5.907
4 HB3 ASN 1 3HB ASN 1 5.930 2.989 -4.751
5 HD21 ASN 1 1HD2 ASN 1 7.766 4.594 -4.821
6 HD22 ASN 1 2HD2 ASN 1 7.330 6.260 -4.962
7 H SER 2 H SER 2 8.836 2.243 -5.946
8 HA SER 2 HA SER 2 8.690 -0.588 -6.213
9 HB2 SER 2 2HB SER 2 10.698 1.367 -5.585
10 HB3 SER 2 3HB SER 2 10.759 0.067 -4.395
11 HG SER 2 HG SER 2 10.992 -1.409 -6.075
12 H GLY 3 H GLY 3 8.299 1.662 -3.525
13 HA2 GLY 3 2HA GLY 3 6.804 1.171 -1.721
14 HA3 GLY 3 3HA GLY 3 7.129 -0.538 -1.964
15 H LEU 4 H LEU 4 9.733 1.762 -1.950
16 HA LEU 4 HA LEU 4 10.361 1.789 0.771
17 HB2 LEU 4 2HB LEU 4 10.711 -0.523 0.772
18 HB3 LEU 4 3HB LEU 4 11.497 -0.493 -0.805
19 HG LEU 4 HG LEU 4 13.437 0.654 0.250
20 HD11 LEU 4 1HD1 LEU 4 11.644 0.962 2.392
21 HD12 LEU 4 2HD1 LEU 4 13.334 1.458 2.311
22 HD13 LEU 4 3HD1 LEU 4 12.911 -0.130 2.949
23 HD21 LEU 4 3HD2 LEU 4 13.617 -1.686 -0.118
24 HD22 LEU 4 1HD2 LEU 4 12.601 -2.050 1.277
25 HD23 LEU 4 2HD2 LEU 4 14.214 -1.376 1.514
26 H SER 5 H SER 5 11.540 1.735 -2.534
27 HA SER 5 HA SER 5 14.032 2.884 -2.251
28 HB2 SER 5 2HB SER 5 12.980 2.057 -4.390
29 HB3 SER 5 3HB SER 5 12.087 3.577 -4.461
30 HG SER 5 HG SER 5 13.820 4.525 -5.164
31 H PHE 6 H PHE 6 10.879 4.369 -2.019
32 HA PHE 6 HA PHE 6 11.801 7.068 -2.147
33 HB2 PHE 6 2HB PHE 6 9.551 7.668 -1.426
34 HB3 PHE 6 3HB PHE 6 9.473 6.429 -2.674
35 HD1 PHE 6 HD2 PHE 6 8.755 4.174 -2.148
36 HD2 PHE 6 HD1 PHE 6 8.901 7.197 0.845
37 HE1 PHE 6 HE2 PHE 6 7.374 2.773 -0.670
38 HE2 PHE 6 HE1 PHE 6 7.522 5.800 2.328
39 HZ PHE 6 HZ PHE 6 6.755 3.586 1.571
40 H GLU 7 H GLU 7 11.176 4.770 0.445
41 HA GLU 7 HA GLU 7 11.519 6.659 2.559
42 HB2 GLU 7 2HB GLU 7 10.540 4.093 2.382
43 HB3 GLU 7 3HB GLU 7 12.069 3.859 3.219
44 HG2 GLU 7 2HG GLU 7 11.426 5.200 5.018
45 HG3 GLU 7 3HG GLU 7 10.101 5.931 4.114
46 H GLU 8 H GLU 8 13.645 4.736 0.628
47 HA GLU 8 HA GLU 8 15.871 4.888 2.454
48 HB2 GLU 8 2HB GLU 8 15.243 3.259 0.327
49 HB3 GLU 8 3HB GLU 8 16.488 4.299 -0.349
50 HG2 GLU 8 2HG GLU 8 17.462 3.556 2.146
51 HG3 GLU 8 3HG GLU 8 16.729 2.095 1.488
52 HNA MK8 9 H MK8 9 14.661 6.721 -0.369
53 HB MK8 9 2HB MK8 9 14.465 8.360 -2.003
54 HBA MK8 9 3HB MK8 9 15.427 9.831 -2.032
55 HD MK8 9 2HD MK8 9 17.225 9.337 -4.688
56 HDA MK8 9 3HD MK8 9 17.429 10.027 -3.065
57 HE MK8 9 HE MK8 9 19.215 8.004 -2.554
58 HG MK8 9 2HG MK8 9 16.838 7.214 -2.788
59 HGA MK8 9 3HG MK8 9 15.656 7.857 -3.926
60 HB1 MK8 9 HBA MK8 9 18.112 9.041 -1.132
61 HB1A MK8 9 HGA MK8 9 18.165 8.421 0.233
62 HB1B MK8 9 HDA MK8 9 18.089 7.548 -0.985
63 H TYR 10 H TYR 10 14.443 7.994 1.206
64 HA TYR 10 HA TYR 10 14.197 10.736 2.125
65 HB2 TYR 10 2HB TYR 10 12.172 9.384 1.841
66 HB3 TYR 10 3HB TYR 10 12.772 8.220 3.018
67 HD1 TYR 10 HD2 TYR 10 11.696 11.752 2.627
68 HD2 TYR 10 HD1 TYR 10 12.379 8.525 5.314
69 HE1 TYR 10 HE2 TYR 10 10.629 13.037 4.432
70 HE2 TYR 10 HE1 TYR 10 11.313 9.800 7.127
71 HH TYR 10 HH TYR 10 10.900 12.911 7.190
72 H ARG 11 H ARG 11 16.159 8.139 2.825
73 HA ARG 11 HA ARG 11 16.772 9.243 5.481
74 HB2 ARG 11 2HB ARG 11 15.765 6.648 4.931
75 HB3 ARG 11 3HB ARG 11 17.451 6.464 5.398
76 HG2 ARG 11 2HG ARG 11 17.097 7.307 7.516
77 HG3 ARG 11 3HG ARG 11 15.630 8.166 7.040
78 HD2 ARG 11 2HD ARG 11 15.062 5.498 6.531
79 HD3 ARG 11 3HD ARG 11 15.960 5.468 8.048
80 HE ARG 11 HE ARG 11 13.940 7.467 8.081
81 HH11 ARG 11 1HH1 ARG 11 14.456 4.035 8.365
82 HH12 ARG 11 2HH1 ARG 11 13.052 3.773 9.346
83 HH21 ARG 11 1HH2 ARG 11 12.089 7.134 9.372
84 HH22 ARG 11 2HH2 ARG 11 11.706 5.536 9.917
85 H ASN 12 H ASN 12 17.843 8.883 2.457
86 HA ASN 12 HA ASN 12 20.650 8.696 3.320
87 HB2 ASN 12 2HB ASN 12 19.495 6.743 1.861
88 HB3 ASN 12 3HB ASN 12 20.008 7.816 0.562
89 HD21 ASN 12 1HD2 ASN 12 21.243 6.373 3.555
90 HD22 ASN 12 2HD2 ASN 12 22.828 6.052 2.947
91 HNA MK8 13 H MK8 13 18.214 10.163 1.164
92 HB MK8 13 2HB MK8 13 17.713 11.004 -0.960
93 HBA MK8 13 3HB MK8 13 17.749 12.762 -0.993
94 HD MK8 13 2HD MK8 13 21.177 10.830 -2.295
95 HDA MK8 13 3HD MK8 13 19.859 9.829 -1.655
96 HE MK8 13 HE MK8 13 19.346 10.655 -4.479
97 HG MK8 13 2HG MK8 13 18.571 11.839 -3.170
98 HGA MK8 13 3HG MK8 13 19.866 12.724 -2.366
99 HB1 MK8 13 HBA MK8 13 21.387 12.469 0.618
100 HB1A MK8 13 HGA MK8 13 21.315 11.378 -0.409
101 HB1B MK8 13 HDA MK8 13 20.974 12.789 -0.788
102 H TYR 14 H TYR 14 17.317 11.749 1.719
103 HA TYR 14 HA TYR 14 17.013 14.476 2.456
104 HB2 TYR 14 2HB TYR 14 15.379 12.288 2.492
105 HB3 TYR 14 3HB TYR 14 15.746 12.473 4.203
106 HD1 TYR 14 HD1 TYR 14 14.805 14.643 1.301
107 HD2 TYR 14 HD2 TYR 14 14.291 13.764 5.433
108 HE1 TYR 14 HE1 TYR 14 13.118 16.425 1.464
109 HE2 TYR 14 HE2 TYR 14 12.602 15.543 5.607
110 HH TYR 14 HH TYR 14 12.101 17.850 3.132
111 H THR 15 H THR 15 18.565 11.705 3.928
112 HA THR 15 HA THR 15 18.964 12.959 6.478
113 HB THR 15 HB THR 15 20.272 10.508 5.284
114 HG1 THR 15 HG1 THR 15 17.976 10.944 6.878
115 HG21 THR 15 1HG2 THR 15 20.487 11.825 7.959
116 HG22 THR 15 2HG2 THR 15 21.742 11.072 6.975
117 HG23 THR 15 3HG2 THR 15 20.584 10.069 7.847
118 H MET 16 H MET 16 20.588 12.978 3.447
119 HA MET 16 HA MET 16 23.134 13.817 4.552
120 HB2 MET 16 2HB MET 16 22.754 12.407 2.415
121 HB3 MET 16 3HB MET 16 22.385 13.943 1.644
122 HG2 MET 16 2HG MET 16 24.573 14.783 2.125
123 HG3 MET 16 3HG MET 16 24.951 13.363 3.098
124 HE1 MET 16 3HE MET 16 27.340 12.274 0.571
125 HE2 MET 16 1HE MET 16 26.975 12.934 2.166
126 HE3 MET 16 2HE MET 16 26.498 11.284 1.764
127 H VAL 17 H VAL 17 20.243 15.249 3.308
128 HA VAL 17 HA VAL 17 21.398 17.820 2.745
129 HB VAL 17 HB VAL 17 18.502 17.024 3.077
130 HG11 VAL 17 1HG1 VAL 17 19.833 19.599 2.528
131 HG12 VAL 17 2HG1 VAL 17 18.441 19.211 1.516
132 HG13 VAL 17 3HG1 VAL 17 18.270 19.263 3.271
133 HG21 VAL 17 3HG2 VAL 17 19.311 17.703 0.404
134 HG22 VAL 17 1HG2 VAL 17 20.324 16.408 1.041
135 HG23 VAL 17 2HG2 VAL 17 18.571 16.219 1.005
136 H LEU 18 H LEU 18 19.598 16.361 5.409
137 HA LEU 18 HA LEU 18 19.384 18.789 6.906
138 HB2 LEU 18 2HB LEU 18 18.302 17.543 8.521
139 HB3 LEU 18 3HB LEU 18 17.934 16.662 7.039
140 HG LEU 18 HG LEU 18 20.088 15.287 7.802
141 HD11 LEU 18 1HD1 LEU 18 19.714 16.968 9.983
142 HD12 LEU 18 2HD1 LEU 18 20.710 15.515 9.921
143 HD13 LEU 18 3HD1 LEU 18 19.044 15.417 10.490
144 HD21 LEU 18 3HD2 LEU 18 18.631 13.597 8.488
145 HD22 LEU 18 1HD2 LEU 18 17.653 14.587 7.404
146 HD23 LEU 18 2HD2 LEU 18 17.464 14.742 9.151
147 H HIS 19 H HIS 19 21.701 16.191 6.687
148 HA HIS 19 HA HIS 19 23.099 16.798 9.097
149 HB2 HIS 19 2HB HIS 19 23.408 14.607 8.291
150 HB3 HIS 19 3HB HIS 19 23.756 15.163 6.657
151 HD1 HIS 19 HD1 HIS 19 26.145 16.246 6.280
152 HD2 HIS 19 HD2 HIS 19 25.592 14.368 9.945
153 HE1 HIS 19 HE1 HIS 19 28.453 15.926 7.227
154 H LYS 20 H LYS 20 23.865 17.388 5.665
155 HA LYS 20 HA LYS 20 26.128 19.013 6.233
156 HB2 LYS 20 2HB LYS 20 26.045 17.928 4.112
157 HB3 LYS 20 3HB LYS 20 24.465 18.611 3.749
158 HG2 LYS 20 2HG LYS 20 26.398 20.691 4.248
159 HG3 LYS 20 3HG LYS 20 26.944 19.599 2.973
160 HD2 LYS 20 2HD LYS 20 25.692 20.952 1.666
161 HD3 LYS 20 3HD LYS 20 24.374 19.926 2.239
162 HE2 LYS 20 2HE LYS 20 23.463 21.577 3.460
163 HE3 LYS 20 3HE LYS 20 25.030 22.159 4.020
164 HZ1 LYS 20 3HZ LYS 20 24.650 23.875 2.672
165 HZ2 LYS 20 1HZ LYS 20 23.410 23.083 1.836
166 HZ3 LYS 20 2HZ LYS 20 25.023 22.828 1.396
Start of MODEL 3
1 H1 ASN 1 H ASN 1 11.115 -5.971 -3.054
2 HA ASN 1 HA ASN 1 9.776 -4.432 -1.710
3 HB2 ASN 1 2HB ASN 1 10.870 -2.239 -1.125
4 HB3 ASN 1 3HB ASN 1 11.517 -3.636 -0.271
5 HD21 ASN 1 1HD2 ASN 1 12.271 -0.930 -2.045
6 HD22 ASN 1 2HD2 ASN 1 13.911 -1.310 -2.433
7 H SER 2 H SER 2 8.408 -3.181 -2.848
8 HA SER 2 HA SER 2 9.292 -2.316 -5.513
9 HB2 SER 2 2HB SER 2 6.953 -3.664 -4.585
10 HB3 SER 2 3HB SER 2 6.464 -2.100 -5.237
11 HG SER 2 HG SER 2 7.865 -4.189 -6.528
12 H GLY 3 H GLY 3 6.776 -1.215 -3.234
13 HA2 GLY 3 2HA GLY 3 7.325 1.542 -4.016
14 HA3 GLY 3 3HA GLY 3 5.967 0.984 -3.050
15 H LEU 4 H LEU 4 9.449 1.592 -2.967
16 HA LEU 4 HA LEU 4 9.248 2.733 -0.346
17 HB2 LEU 4 2HB LEU 4 9.770 -0.030 -0.530
18 HB3 LEU 4 3HB LEU 4 11.295 0.745 -0.108
19 HG LEU 4 HG LEU 4 8.824 1.387 1.448
20 HD11 LEU 4 1HD1 LEU 4 9.344 -1.184 1.152
21 HD12 LEU 4 2HD1 LEU 4 8.874 -0.509 2.712
22 HD13 LEU 4 3HD1 LEU 4 10.573 -0.831 2.367
23 HD21 LEU 4 3HD2 LEU 4 11.134 2.538 1.627
24 HD22 LEU 4 1HD2 LEU 4 11.620 1.066 2.468
25 HD23 LEU 4 2HD2 LEU 4 10.304 2.051 3.106
26 H SER 5 H SER 5 10.203 3.322 -3.102
27 HA SER 5 HA SER 5 13.075 3.633 -2.775
28 HB2 SER 5 2HB SER 5 11.380 3.337 -4.986
29 HB3 SER 5 3HB SER 5 11.967 4.998 -5.080
30 HG SER 5 HG SER 5 13.385 2.590 -5.217
31 H PHE 6 H PHE 6 10.156 5.572 -2.729
32 HA PHE 6 HA PHE 6 11.477 8.099 -2.725
33 HB2 PHE 6 2HB PHE 6 8.963 7.437 -3.233
34 HB3 PHE 6 3HB PHE 6 8.768 7.761 -1.514
35 HD1 PHE 6 HD1 PHE 6 9.057 10.001 -0.628
36 HD2 PHE 6 HD2 PHE 6 9.445 9.207 -4.791
37 HE1 PHE 6 HE1 PHE 6 8.886 12.410 -1.100
38 HE2 PHE 6 HE2 PHE 6 9.275 11.614 -5.270
39 HZ PHE 6 HZ PHE 6 8.996 13.219 -3.423
40 H GLU 7 H GLU 7 10.269 5.926 -0.223
41 HA GLU 7 HA GLU 7 10.766 7.713 1.943
42 HB2 GLU 7 2HB GLU 7 9.918 4.902 1.623
43 HB3 GLU 7 3HB GLU 7 10.757 5.271 3.123
44 HG2 GLU 7 2HG GLU 7 9.140 7.055 3.578
45 HG3 GLU 7 3HG GLU 7 8.288 6.647 2.089
46 H GLU 8 H GLU 8 12.690 5.465 0.150
47 HA GLU 8 HA GLU 8 14.765 5.239 2.133
48 HB2 GLU 8 2HB GLU 8 14.125 4.017 -0.403
49 HB3 GLU 8 3HB GLU 8 15.810 4.518 -0.374
50 HG2 GLU 8 2HG GLU 8 15.432 3.316 2.087
51 HG3 GLU 8 3HG GLU 8 14.505 2.314 0.971
52 HNA MK8 9 H MK8 9 14.093 7.288 -0.720
53 HB MK8 9 2HB MK8 9 14.299 8.956 -2.326
54 HBA MK8 9 3HB MK8 9 15.483 10.253 -2.239
55 HD MK8 9 2HD MK8 9 17.395 9.508 -4.753
56 HDA MK8 9 3HD MK8 9 17.569 10.138 -3.103
57 HE MK8 9 HE MK8 9 18.963 7.852 -2.496
58 HG MK8 9 2HG MK8 9 16.519 7.453 -2.945
59 HGA MK8 9 3HG MK8 9 15.553 8.290 -4.158
60 HB1 MK8 9 HBA MK8 9 17.922 9.032 -1.145
61 HB1A MK8 9 HGA MK8 9 17.761 8.396 0.204
62 HB1B MK8 9 HDA MK8 9 17.651 7.560 -1.036
63 H TYR 10 H TYR 10 13.949 8.558 0.859
64 HA TYR 10 HA TYR 10 14.064 11.292 1.826
65 HB2 TYR 10 2HB TYR 10 11.883 10.268 1.337
66 HB3 TYR 10 3HB TYR 10 12.188 9.031 2.551
67 HD1 TYR 10 HD1 TYR 10 12.468 12.764 2.472
68 HD2 TYR 10 HD2 TYR 10 10.903 9.328 4.435
69 HE1 TYR 10 HE1 TYR 10 11.463 14.210 4.189
70 HE2 TYR 10 HE2 TYR 10 9.892 10.765 6.157
71 HH TYR 10 HH TYR 10 10.417 13.154 7.099
72 H ARG 11 H ARG 11 15.536 8.416 2.611
73 HA ARG 11 HA ARG 11 16.084 9.370 5.338
74 HB2 ARG 11 2HB ARG 11 14.514 7.259 5.013
75 HB3 ARG 11 3HB ARG 11 16.053 6.435 4.807
76 HG2 ARG 11 2HG ARG 11 16.336 6.360 6.997
77 HG3 ARG 11 3HG ARG 11 16.217 8.118 7.099
78 HD2 ARG 11 2HD ARG 11 13.815 6.310 6.958
79 HD3 ARG 11 3HD ARG 11 14.554 6.808 8.479
80 HE ARG 11 HE ARG 11 12.881 8.389 6.774
81 HH11 ARG 11 1HH1 ARG 11 15.436 8.497 9.136
82 HH12 ARG 11 2HH1 ARG 11 15.070 10.111 9.650
83 HH21 ARG 11 1HH2 ARG 11 12.390 10.515 7.441
84 HH22 ARG 11 2HH2 ARG 11 13.337 11.257 8.685
85 H ASN 12 H ASN 12 17.336 8.886 2.403
86 HA ASN 12 HA ASN 12 19.996 8.242 3.487
87 HB2 ASN 12 2HB ASN 12 18.676 6.515 1.892
88 HB3 ASN 12 3HB ASN 12 19.457 7.507 0.665
89 HD21 ASN 12 1HD2 ASN 12 20.852 5.940 -0.026
90 HD22 ASN 12 2HD2 ASN 12 22.157 5.344 0.937
91 HNA MK8 13 H MK8 13 18.012 10.101 1.175
92 HB MK8 13 2HB MK8 13 17.827 11.039 -0.959
93 HBA MK8 13 3HB MK8 13 18.147 12.768 -0.947
94 HD MK8 13 2HD MK8 13 21.318 10.323 -2.013
95 HDA MK8 13 3HD MK8 13 19.808 9.540 -1.505
96 HE MK8 13 HE MK8 13 19.670 10.465 -4.340
97 HG MK8 13 2HG MK8 13 18.987 11.745 -3.072
98 HGA MK8 13 3HG MK8 13 20.336 12.403 -2.148
99 HB1 MK8 13 HBA MK8 13 21.544 11.880 0.943
100 HB1A MK8 13 HGA MK8 13 21.385 10.825 -0.111
101 HB1B MK8 13 HDA MK8 13 21.304 12.276 -0.483
102 H TYR 14 H TYR 14 17.335 11.802 1.699
103 HA TYR 14 HA TYR 14 17.378 14.532 2.463
104 HB2 TYR 14 2HB TYR 14 15.453 12.602 2.368
105 HB3 TYR 14 3HB TYR 14 15.738 12.712 4.101
106 HD1 TYR 14 HD2 TYR 14 15.235 14.990 1.177
107 HD2 TYR 14 HD1 TYR 14 14.460 14.218 5.288
108 HE1 TYR 14 HE2 TYR 14 13.809 16.991 1.278
109 HE2 TYR 14 HE1 TYR 14 13.032 16.217 5.401
110 HH TYR 14 HH TYR 14 11.654 17.592 3.690
111 H THR 15 H THR 15 18.477 11.580 3.973
112 HA THR 15 HA THR 15 18.862 12.744 6.570
113 HB THR 15 HB THR 15 19.930 10.162 5.412
114 HG1 THR 15 HG1 THR 15 17.566 10.905 6.722
115 HG21 THR 15 1HG2 THR 15 20.306 11.497 8.016
116 HG22 THR 15 2HG2 THR 15 21.314 10.305 7.196
117 HG23 THR 15 3HG2 THR 15 19.884 9.787 8.088
118 H MET 16 H MET 16 20.664 12.590 3.645
119 HA MET 16 HA MET 16 23.219 13.095 4.918
120 HB2 MET 16 2HB MET 16 22.794 11.767 2.732
121 HB3 MET 16 3HB MET 16 22.685 13.350 1.973
122 HG2 MET 16 2HG MET 16 24.886 13.552 1.913
123 HG3 MET 16 3HG MET 16 25.026 13.186 3.631
124 HE1 MET 16 3HE MET 16 27.661 11.489 2.749
125 HE2 MET 16 1HE MET 16 27.365 11.170 1.040
126 HE3 MET 16 2HE MET 16 27.065 12.777 1.702
127 H VAL 17 H VAL 17 20.611 14.889 3.526
128 HA VAL 17 HA VAL 17 22.109 17.301 3.080
129 HB VAL 17 HB VAL 17 19.121 16.875 3.225
130 HG11 VAL 17 1HG1 VAL 17 19.192 19.129 3.451
131 HG12 VAL 17 2HG1 VAL 17 20.806 19.260 2.749
132 HG13 VAL 17 3HG1 VAL 17 19.402 19.054 1.702
133 HG21 VAL 17 3HG2 VAL 17 20.971 16.041 1.292
134 HG22 VAL 17 1HG2 VAL 17 19.213 16.074 1.154
135 HG23 VAL 17 2HG2 VAL 17 20.167 17.455 0.612
136 H LEU 18 H LEU 18 19.979 16.053 5.603
137 HA LEU 18 HA LEU 18 19.974 18.472 7.127
138 HB2 LEU 18 2HB LEU 18 18.648 17.355 8.651
139 HB3 LEU 18 3HB LEU 18 18.267 16.542 7.135
140 HG LEU 18 HG LEU 18 20.182 14.901 8.001
141 HD11 LEU 18 1HD1 LEU 18 20.746 15.126 10.131
142 HD12 LEU 18 2HD1 LEU 18 19.054 15.035 10.619
143 HD13 LEU 18 3HD1 LEU 18 19.773 16.595 10.217
144 HD21 LEU 18 3HD2 LEU 18 18.442 13.434 8.764
145 HD22 LEU 18 1HD2 LEU 18 17.835 14.360 7.392
146 HD23 LEU 18 2HD2 LEU 18 17.351 14.794 9.032
147 H HIS 19 H HIS 19 21.961 15.609 7.003
148 HA HIS 19 HA HIS 19 23.270 16.012 9.504
149 HB2 HIS 19 2HB HIS 19 23.355 13.808 8.679
150 HB3 HIS 19 3HB HIS 19 23.871 14.333 7.080
151 HD1 HIS 19 HD1 HIS 19 26.395 15.112 6.868
152 HD2 HIS 19 HD2 HIS 19 25.385 13.283 10.459
153 HE1 HIS 19 HE1 HIS 19 28.581 14.498 7.948
154 H LYS 20 H LYS 20 24.316 16.536 6.136
155 HA LYS 20 HA LYS 20 26.722 17.862 6.868
156 HB2 LYS 20 2HB LYS 20 26.639 16.816 4.728
157 HB3 LYS 20 3HB LYS 20 25.181 17.693 4.281
158 HG2 LYS 20 2HG LYS 20 27.322 19.511 4.933
159 HG3 LYS 20 3HG LYS 20 27.808 18.372 3.675
160 HD2 LYS 20 2HD LYS 20 26.821 19.899 2.326
161 HD3 LYS 20 3HD LYS 20 25.360 19.018 2.778
162 HE2 LYS 20 2HE LYS 20 24.548 20.745 3.956
163 HE3 LYS 20 3HE LYS 20 26.115 21.112 4.674
164 HZ1 LYS 20 3HZ LYS 20 26.543 21.918 2.191
165 HZ2 LYS 20 1HZ LYS 20 25.911 22.934 3.386
166 HZ3 LYS 20 2HZ LYS 20 24.876 22.191 2.273
Start of MODEL 4
1 H1 ASN 1 H ASN 1 3.864 -0.355 0.867
2 HA ASN 1 HA ASN 1 1.821 -0.259 -1.134
3 HB2 ASN 1 2HB ASN 1 1.651 0.483 1.322
4 HB3 ASN 1 3HB ASN 1 2.457 1.960 0.802
5 HD21 ASN 1 1HD2 ASN 1 1.390 3.366 -0.604
6 HD22 ASN 1 2HD2 ASN 1 -0.323 3.302 -0.826
7 H SER 2 H SER 2 4.729 1.623 -0.424
8 HA SER 2 HA SER 2 4.294 3.221 -2.840
9 HB2 SER 2 2HB SER 2 5.555 3.703 -0.279
10 HB3 SER 2 3HB SER 2 6.660 4.075 -1.602
11 HG SER 2 HG SER 2 3.999 4.990 -1.664
12 H GLY 3 H GLY 3 7.095 1.655 -1.269
13 HA2 GLY 3 2HA GLY 3 7.825 -0.032 -3.330
14 HA3 GLY 3 3HA GLY 3 8.576 1.514 -3.701
15 H LEU 4 H LEU 4 10.503 1.932 -2.832
16 HA LEU 4 HA LEU 4 11.331 1.225 -0.253
17 HB2 LEU 4 2HB LEU 4 11.521 -0.886 -2.171
18 HB3 LEU 4 3HB LEU 4 13.144 -0.385 -1.701
19 HG LEU 4 HG LEU 4 11.177 -0.903 0.466
20 HD11 LEU 4 1HD1 LEU 4 10.789 -3.021 -0.048
21 HD12 LEU 4 2HD1 LEU 4 12.523 -3.335 -0.120
22 HD13 LEU 4 3HD1 LEU 4 11.661 -2.814 -1.567
23 HD21 LEU 4 3HD2 LEU 4 13.095 -1.537 1.682
24 HD22 LEU 4 1HD2 LEU 4 13.568 -0.111 0.758
25 HD23 LEU 4 2HD2 LEU 4 14.062 -1.715 0.217
26 H SER 5 H SER 5 12.571 1.512 -3.576
27 HA SER 5 HA SER 5 15.058 2.596 -2.997
28 HB2 SER 5 2HB SER 5 13.600 2.062 -5.304
29 HB3 SER 5 3HB SER 5 13.865 3.804 -5.365
30 HG SER 5 HG SER 5 15.838 3.391 -5.912
31 H PHE 6 H PHE 6 11.910 4.134 -3.147
32 HA PHE 6 HA PHE 6 12.893 6.811 -3.034
33 HB2 PHE 6 2HB PHE 6 10.322 5.495 -3.187
34 HB3 PHE 6 3HB PHE 6 10.284 6.797 -2.002
35 HD1 PHE 6 HD1 PHE 6 10.679 9.107 -2.679
36 HD2 PHE 6 HD2 PHE 6 10.578 5.944 -5.525
37 HE1 PHE 6 HE1 PHE 6 10.431 10.751 -4.492
38 HE2 PHE 6 HE2 PHE 6 10.331 7.583 -7.343
39 HZ PHE 6 HZ PHE 6 10.258 9.990 -6.828
40 H GLU 7 H GLU 7 12.212 4.351 -0.694
41 HA GLU 7 HA GLU 7 12.135 6.180 1.545
42 HB2 GLU 7 2HB GLU 7 11.925 3.217 1.207
43 HB3 GLU 7 3HB GLU 7 12.323 3.866 2.792
44 HG2 GLU 7 2HG GLU 7 10.130 5.344 1.782
45 HG3 GLU 7 3HG GLU 7 9.784 3.631 1.549
46 H GLU 8 H GLU 8 14.484 4.293 -0.157
47 HA GLU 8 HA GLU 8 16.449 4.339 1.946
48 HB2 GLU 8 2HB GLU 8 16.102 2.871 -0.382
49 HB3 GLU 8 3HB GLU 8 17.485 3.895 -0.742
50 HG2 GLU 8 2HG GLU 8 18.047 2.972 1.781
51 HG3 GLU 8 3HG GLU 8 17.272 1.588 1.013
52 HNA MK8 9 H MK8 9 15.651 6.324 -0.924
53 HB MK8 9 2HB MK8 9 15.575 8.094 -2.376
54 HBA MK8 9 3HB MK8 9 16.501 9.575 -2.173
55 HD MK8 9 2HD MK8 9 18.536 9.413 -4.693
56 HDA MK8 9 3HD MK8 9 18.611 9.881 -2.982
57 HE MK8 9 HE MK8 9 20.422 7.931 -2.567
58 HG MK8 9 2HG MK8 9 17.998 7.064 -3.122
59 HGA MK8 9 3HG MK8 9 16.914 7.859 -4.260
60 HB1 MK8 9 HBA MK8 9 19.168 8.652 -1.143
61 HB1A MK8 9 HGA MK8 9 19.116 7.773 0.071
62 HB1B MK8 9 HDA MK8 9 19.086 7.162 -1.298
63 H TYR 10 H TYR 10 14.991 7.825 0.405
64 HA TYR 10 HA TYR 10 14.834 10.392 1.585
65 HB2 TYR 10 2HB TYR 10 12.842 9.040 1.126
66 HB3 TYR 10 3HB TYR 10 13.369 7.844 2.305
67 HD1 TYR 10 HD1 TYR 10 12.481 11.455 2.020
68 HD2 TYR 10 HD2 TYR 10 12.640 8.006 4.506
69 HE1 TYR 10 HE1 TYR 10 11.284 12.680 3.786
70 HE2 TYR 10 HE2 TYR 10 11.443 9.220 6.278
71 HH TYR 10 HH TYR 10 10.822 11.311 6.981
72 H ARG 11 H ARG 11 16.671 7.693 2.387
73 HA ARG 11 HA ARG 11 17.073 8.715 5.121
74 HB2 ARG 11 2HB ARG 11 16.125 6.207 4.458
75 HB3 ARG 11 3HB ARG 11 17.842 5.925 4.712
76 HG2 ARG 11 2HG ARG 11 17.687 6.916 6.934
77 HG3 ARG 11 3HG ARG 11 15.968 7.225 6.679
78 HD2 ARG 11 2HD ARG 11 15.403 5.096 7.105
79 HD3 ARG 11 3HD ARG 11 16.764 4.454 6.187
80 HE ARG 11 HE ARG 11 17.870 4.183 8.158
81 HH11 ARG 11 1HH1 ARG 11 15.417 6.613 8.600
82 HH12 ARG 11 2HH1 ARG 11 15.719 6.796 10.296
83 HH21 ARG 11 1HH2 ARG 11 18.278 4.415 10.390
84 HH22 ARG 11 2HH2 ARG 11 17.347 5.546 11.313
85 H ASN 12 H ASN 12 18.410 8.518 2.154
86 HA ASN 12 HA ASN 12 21.116 8.721 3.249
87 HB2 ASN 12 2HB ASN 12 20.342 6.412 2.023
88 HB3 ASN 12 3HB ASN 12 20.972 7.325 0.655
89 HD21 ASN 12 1HD2 ASN 12 21.807 5.058 2.733
90 HD22 ASN 12 2HD2 ASN 12 23.492 5.386 2.929
91 HNA MK8 13 H MK8 13 19.042 10.667 2.170
92 HB MK8 13 2HB MK8 13 18.750 10.582 -0.834
93 HBA MK8 13 3HB MK8 13 18.332 12.283 -0.980
94 HD MK8 13 2HD MK8 13 22.142 10.816 -1.911
95 HDA MK8 13 3HD MK8 13 20.810 9.700 -1.546
96 HE MK8 13 HE MK8 13 20.552 10.795 -4.310
97 HG MK8 13 2HG MK8 13 19.606 11.821 -2.978
98 HGA MK8 13 3HG MK8 13 20.755 12.656 -1.936
99 HB1 MK8 13 HBA MK8 13 21.905 12.510 1.108
100 HB1A MK8 13 HGA MK8 13 21.954 11.715 -0.163
101 HB1B MK8 13 HDA MK8 13 21.520 13.151 -0.192
102 H TYR 14 H TYR 14 17.638 11.684 1.480
103 HA TYR 14 HA TYR 14 17.077 14.449 1.971
104 HB2 TYR 14 2HB TYR 14 15.530 12.219 1.592
105 HB3 TYR 14 3HB TYR 14 15.370 12.478 3.326
106 HD1 TYR 14 HD1 TYR 14 15.328 14.527 0.193
107 HD2 TYR 14 HD2 TYR 14 13.592 13.772 4.003
108 HE1 TYR 14 HE1 TYR 14 13.654 16.278 -0.229
109 HE2 TYR 14 HE2 TYR 14 11.913 15.520 3.591
110 HH TYR 14 HH TYR 14 12.104 17.634 0.814
111 H THR 15 H THR 15 18.564 11.925 3.737
112 HA THR 15 HA THR 15 18.090 13.186 6.323
113 HB THR 15 HB THR 15 19.618 10.677 5.605
114 HG1 THR 15 HG1 THR 15 17.005 11.215 6.530
115 HG21 THR 15 1HG2 THR 15 20.622 11.432 7.587
116 HG22 THR 15 2HG2 THR 15 19.389 10.296 8.134
117 HG23 THR 15 3HG2 THR 15 19.097 12.032 8.235
118 H MET 16 H MET 16 20.482 13.052 3.849
119 HA MET 16 HA MET 16 22.639 13.944 5.566
120 HB2 MET 16 2HB MET 16 22.843 12.429 3.482
121 HB3 MET 16 3HB MET 16 22.710 13.921 2.561
122 HG2 MET 16 2HG MET 16 24.637 14.700 4.165
123 HG3 MET 16 3HG MET 16 24.903 12.965 4.322
124 HE1 MET 16 3HE MET 16 27.422 13.048 3.171
125 HE2 MET 16 1HE MET 16 27.720 14.196 1.865
126 HE3 MET 16 2HE MET 16 27.111 14.767 3.419
127 H VAL 17 H VAL 17 20.221 15.317 3.509
128 HA VAL 17 HA VAL 17 21.527 17.857 3.174
129 HB VAL 17 HB VAL 17 18.658 17.043 2.690
130 HG11 VAL 17 1HG1 VAL 17 18.648 19.141 1.272
131 HG12 VAL 17 2HG1 VAL 17 18.633 19.382 3.020
132 HG13 VAL 17 3HG1 VAL 17 20.129 19.602 2.112
133 HG21 VAL 17 3HG2 VAL 17 19.221 16.525 0.547
134 HG22 VAL 17 1HG2 VAL 17 20.546 17.688 0.496
135 HG23 VAL 17 2HG2 VAL 17 20.759 16.145 1.323
136 H LEU 18 H LEU 18 19.028 16.526 5.282
137 HA LEU 18 HA LEU 18 18.427 19.020 6.545
138 HB2 LEU 18 2HB LEU 18 16.913 17.854 7.833
139 HB3 LEU 18 3HB LEU 18 16.986 16.884 6.363
140 HG LEU 18 HG LEU 18 18.816 15.577 7.791
141 HD11 LEU 18 1HD1 LEU 18 17.545 17.323 9.695
142 HD12 LEU 18 2HD1 LEU 18 18.909 16.226 9.910
143 HD13 LEU 18 3HD1 LEU 18 17.260 15.631 10.105
144 HD21 LEU 18 3HD2 LEU 18 15.965 15.018 8.466
145 HD22 LEU 18 1HD2 LEU 18 17.256 13.905 8.010
146 HD23 LEU 18 2HD2 LEU 18 16.492 14.918 6.785
147 H HIS 19 H HIS 19 20.691 16.430 7.104
148 HA HIS 19 HA HIS 19 21.358 17.149 9.781
149 HB2 HIS 19 2HB HIS 19 21.868 14.927 9.189
150 HB3 HIS 19 3HB HIS 19 22.666 15.415 7.698
151 HD1 HIS 19 HD1 HIS 19 25.071 16.496 7.965
152 HD2 HIS 19 HD2 HIS 19 23.495 14.773 11.401
153 HE1 HIS 19 HE1 HIS 19 27.016 16.232 9.537
154 H LYS 20 H LYS 20 23.064 17.595 6.683
155 HA LYS 20 HA LYS 20 25.083 19.258 7.794
156 HB2 LYS 20 2HB LYS 20 25.597 18.083 5.785
157 HB3 LYS 20 3HB LYS 20 24.187 18.737 4.962
158 HG2 LYS 20 2HG LYS 20 25.909 20.852 5.894
159 HG3 LYS 20 3HG LYS 20 26.789 19.710 4.876
160 HD2 LYS 20 2HD LYS 20 25.964 20.986 3.205
161 HD3 LYS 20 3HD LYS 20 24.527 19.986 3.435
162 HE2 LYS 20 2HE LYS 20 23.355 21.663 4.438
163 HE3 LYS 20 3HE LYS 20 24.797 22.402 5.134
164 HZ1 LYS 20 3HZ LYS 20 23.447 23.050 2.730
165 HZ2 LYS 20 1HZ LYS 20 25.058 22.654 2.400
166 HZ3 LYS 20 2HZ LYS 20 24.699 23.881 3.507
Start of MODEL 5
1 H1 ASN 1 H ASN 1 2.812 -2.192 -2.468
2 HA ASN 1 HA ASN 1 5.641 -1.797 -1.801
3 HB2 ASN 1 2HB ASN 1 4.546 -2.785 -4.337
4 HB3 ASN 1 3HB ASN 1 5.620 -1.401 -4.523
5 HD21 ASN 1 1HD2 ASN 1 7.660 -1.610 -3.102
6 HD22 ASN 1 2HD2 ASN 1 8.461 -3.139 -3.188
7 H SER 2 H SER 2 5.092 0.133 -0.770
8 HA SER 2 HA SER 2 3.582 2.171 -2.117
9 HB2 SER 2 2HB SER 2 4.252 1.663 0.521
10 HB3 SER 2 3HB SER 2 5.224 3.080 0.124
11 HG SER 2 HG SER 2 3.268 4.066 -0.627
12 H GLY 3 H GLY 3 7.004 1.709 -1.270
13 HA2 GLY 3 2HA GLY 3 8.214 2.606 -3.499
14 HA3 GLY 3 3HA GLY 3 7.775 4.109 -2.702
15 H LEU 4 H LEU 4 9.402 1.013 -2.038
16 HA LEU 4 HA LEU 4 10.762 1.775 0.261
17 HB2 LEU 4 2HB LEU 4 10.982 -0.337 -1.741
18 HB3 LEU 4 3HB LEU 4 12.524 0.081 -0.996
19 HG LEU 4 HG LEU 4 10.658 -0.192 1.102
20 HD11 LEU 4 1HD1 LEU 4 9.920 -2.516 0.774
21 HD12 LEU 4 2HD1 LEU 4 10.518 -2.457 -0.883
22 HD13 LEU 4 3HD1 LEU 4 9.191 -1.407 -0.387
23 HD21 LEU 4 3HD2 LEU 4 12.992 -0.657 1.339
24 HD22 LEU 4 1HD2 LEU 4 12.919 -1.920 0.110
25 HD23 LEU 4 2HD2 LEU 4 12.105 -2.148 1.658
26 H SER 5 H SER 5 11.750 2.065 -3.133
27 HA SER 5 HA SER 5 14.328 3.033 -2.745
28 HB2 SER 5 2HB SER 5 12.401 2.948 -4.933
29 HB3 SER 5 3HB SER 5 13.427 4.381 -4.999
30 HG SER 5 HG SER 5 14.040 1.845 -5.611
31 H PHE 6 H PHE 6 11.238 4.687 -2.610
32 HA PHE 6 HA PHE 6 12.328 7.324 -2.535
33 HB2 PHE 6 2HB PHE 6 9.711 6.111 -2.524
34 HB3 PHE 6 3HB PHE 6 9.806 7.359 -1.286
35 HD1 PHE 6 HD1 PHE 6 11.067 6.968 -4.780
36 HD2 PHE 6 HD2 PHE 6 8.965 9.372 -1.966
37 HE1 PHE 6 HE1 PHE 6 10.741 8.694 -6.503
38 HE2 PHE 6 HE2 PHE 6 8.634 11.101 -3.685
39 HZ PHE 6 HZ PHE 6 9.522 10.763 -5.957
40 H GLU 7 H GLU 7 11.747 4.847 -0.186
41 HA GLU 7 HA GLU 7 11.924 6.635 2.079
42 HB2 GLU 7 2HB GLU 7 11.874 3.618 1.902
43 HB3 GLU 7 3HB GLU 7 11.884 4.523 3.409
44 HG2 GLU 7 2HG GLU 7 9.786 5.660 2.101
45 HG3 GLU 7 3HG GLU 7 9.697 3.989 1.545
46 H GLU 8 H GLU 8 14.052 4.695 0.160
47 HA GLU 8 HA GLU 8 16.183 4.629 2.094
48 HB2 GLU 8 2HB GLU 8 16.122 3.968 -0.854
49 HB3 GLU 8 3HB GLU 8 17.525 3.740 0.181
50 HG2 GLU 8 2HG GLU 8 15.060 2.507 1.174
51 HG3 GLU 8 3HG GLU 8 15.661 1.847 -0.345
52 HNA MK8 9 H MK8 9 15.230 6.696 -0.668
53 HB MK8 9 2HB MK8 9 15.102 8.495 -2.081
54 HBA MK8 9 3HB MK8 9 16.098 9.936 -1.931
55 HD MK8 9 2HD MK8 9 17.912 9.748 -4.612
56 HDA MK8 9 3HD MK8 9 18.145 10.180 -2.907
57 HE MK8 9 HE MK8 9 19.908 8.158 -2.673
58 HG MK8 9 2HG MK8 9 17.415 7.391 -3.041
59 HGA MK8 9 3HG MK8 9 16.272 8.247 -4.072
60 HB1 MK8 9 HBA MK8 9 18.803 8.896 -1.139
61 HB1A MK8 9 HGA MK8 9 18.817 7.997 0.061
62 HB1B MK8 9 HDA MK8 9 18.652 7.414 -1.311
63 H TYR 10 H TYR 10 14.738 8.195 0.734
64 HA TYR 10 HA TYR 10 14.777 10.743 1.964
65 HB2 TYR 10 2HB TYR 10 12.704 9.475 1.650
66 HB3 TYR 10 3HB TYR 10 13.279 8.237 2.762
67 HD1 TYR 10 HD1 TYR 10 12.406 11.850 2.577
68 HD2 TYR 10 HD2 TYR 10 12.842 8.416 5.051
69 HE1 TYR 10 HE1 TYR 10 11.406 13.084 4.455
70 HE2 TYR 10 HE2 TYR 10 11.842 9.640 6.936
71 HH TYR 10 HH TYR 10 10.105 11.820 7.000
72 H ARG 11 H ARG 11 16.568 7.963 2.569
73 HA ARG 11 HA ARG 11 17.232 8.917 5.277
74 HB2 ARG 11 2HB ARG 11 16.192 6.415 4.576
75 HB3 ARG 11 3HB ARG 11 17.907 6.134 4.851
76 HG2 ARG 11 2HG ARG 11 17.170 5.838 6.968
77 HG3 ARG 11 3HG ARG 11 17.398 7.587 7.016
78 HD2 ARG 11 2HD ARG 11 15.225 7.932 7.351
79 HD3 ARG 11 3HD ARG 11 14.795 6.917 5.975
80 HE ARG 11 HE ARG 11 14.303 5.231 7.433
81 HH11 ARG 11 1HH1 ARG 11 16.299 7.574 9.059
82 HH12 ARG 11 2HH1 ARG 11 16.151 6.816 10.610
83 HH21 ARG 11 1HH2 ARG 11 14.100 4.224 9.470
84 HH22 ARG 11 2HH2 ARG 11 14.901 4.911 10.843
85 H ASN 12 H ASN 12 18.313 8.728 2.207
86 HA ASN 12 HA ASN 12 21.105 8.810 3.077
87 HB2 ASN 12 2HB ASN 12 20.145 6.555 1.883
88 HB3 ASN 12 3HB ASN 12 20.696 7.470 0.482
89 HD21 ASN 12 1HD2 ASN 12 21.821 5.054 1.295
90 HD22 ASN 12 2HD2 ASN 12 23.446 5.347 1.803
91 HNA MK8 13 H MK8 13 19.026 10.852 2.204
92 HB MK8 13 2HB MK8 13 18.485 10.834 -0.766
93 HBA MK8 13 3HB MK8 13 18.123 12.552 -0.850
94 HD MK8 13 2HD MK8 13 21.784 10.963 -2.115
95 HDA MK8 13 3HD MK8 13 20.445 9.891 -1.660
96 HE MK8 13 HE MK8 13 20.004 11.046 -4.375
97 HG MK8 13 2HG MK8 13 19.210 12.081 -2.953
98 HGA MK8 13 3HG MK8 13 20.472 12.854 -1.996
99 HB1 MK8 13 HBA MK8 13 21.861 12.607 0.940
100 HB1A MK8 13 HGA MK8 13 21.775 11.836 -0.344
101 HB1B MK8 13 HDA MK8 13 21.395 13.287 -0.314
102 H TYR 14 H TYR 14 17.610 11.932 1.649
103 HA TYR 14 HA TYR 14 17.198 14.707 2.229
104 HB2 TYR 14 2HB TYR 14 15.540 12.543 1.944
105 HB3 TYR 14 3HB TYR 14 15.533 12.774 3.688
106 HD1 TYR 14 HD1 TYR 14 15.314 14.882 0.602
107 HD2 TYR 14 HD2 TYR 14 13.867 14.119 4.530
108 HE1 TYR 14 HE1 TYR 14 13.679 16.702 0.347
109 HE2 TYR 14 HE2 TYR 14 12.228 15.936 4.286
110 HH TYR 14 HH TYR 14 11.052 17.096 2.269
111 H THR 15 H THR 15 18.726 12.096 3.826
112 HA THR 15 HA THR 15 18.514 13.324 6.462
113 HB THR 15 HB THR 15 19.881 10.774 5.580
114 HG1 THR 15 HG1 THR 15 17.600 11.018 7.246
115 HG21 THR 15 1HG2 THR 15 19.699 10.436 8.192
116 HG22 THR 15 2HG2 THR 15 19.765 12.199 8.196
117 HG23 THR 15 3HG2 THR 15 21.079 11.269 7.476
118 H MET 16 H MET 16 20.688 13.149 3.796
119 HA MET 16 HA MET 16 23.011 13.927 5.344
120 HB2 MET 16 2HB MET 16 22.986 12.445 3.226
121 HB3 MET 16 3HB MET 16 22.836 13.959 2.343
122 HG2 MET 16 2HG MET 16 24.923 14.747 3.291
123 HG3 MET 16 3HG MET 16 25.065 13.271 4.243
124 HE1 MET 16 3HE MET 16 26.230 11.397 3.673
125 HE2 MET 16 1HE MET 16 24.998 10.681 2.633
126 HE3 MET 16 2HE MET 16 26.668 10.789 2.076
127 H VAL 17 H VAL 17 20.489 15.428 3.516
128 HA VAL 17 HA VAL 17 21.860 17.924 3.115
129 HB VAL 17 HB VAL 17 18.932 17.226 2.854
130 HG11 VAL 17 1HG1 VAL 17 20.416 19.769 2.551
131 HG12 VAL 17 2HG1 VAL 17 19.202 19.398 1.324
132 HG13 VAL 17 3HG1 VAL 17 18.742 19.480 3.026
133 HG21 VAL 17 3HG2 VAL 17 21.028 16.426 1.278
134 HG22 VAL 17 1HG2 VAL 17 19.346 16.545 0.763
135 HG23 VAL 17 2HG2 VAL 17 20.459 17.877 0.452
136 H LEU 18 H LEU 18 19.492 16.647 5.399
137 HA LEU 18 HA LEU 18 19.092 19.137 6.746
138 HB2 LEU 18 2HB LEU 18 17.645 18.003 8.136
139 HB3 LEU 18 3HB LEU 18 17.560 17.059 6.650
140 HG LEU 18 HG LEU 18 19.450 15.658 7.902
141 HD11 LEU 18 1HD1 LEU 18 18.443 15.528 10.337
142 HD12 LEU 18 2HD1 LEU 18 18.063 17.220 10.016
143 HD13 LEU 18 3HD1 LEU 18 19.733 16.661 9.931
144 HD21 LEU 18 3HD2 LEU 18 16.649 15.186 8.808
145 HD22 LEU 18 1HD2 LEU 18 17.852 14.041 8.214
146 HD23 LEU 18 2HD2 LEU 18 17.021 15.112 7.085
147 H HIS 19 H HIS 19 21.293 16.453 7.077
148 HA HIS 19 HA HIS 19 22.203 17.095 9.702
149 HB2 HIS 19 2HB HIS 19 22.582 14.869 9.032
150 HB3 HIS 19 3HB HIS 19 23.272 15.359 7.488
151 HD1 HIS 19 HD1 HIS 19 25.728 16.349 7.571
152 HD2 HIS 19 HD2 HIS 19 24.380 14.615 11.098
153 HE1 HIS 19 HE1 HIS 19 27.785 15.985 8.971
154 H LYS 20 H LYS 20 23.675 17.537 6.484
155 HA LYS 20 HA LYS 20 25.839 19.101 7.450
156 HB2 LYS 20 2HB LYS 20 26.138 17.967 5.379
157 HB3 LYS 20 3HB LYS 20 24.681 18.677 4.698
158 HG2 LYS 20 2HG LYS 20 26.767 20.577 5.550
159 HG3 LYS 20 3HG LYS 20 27.156 19.556 4.164
160 HD2 LYS 20 2HD LYS 20 24.637 21.196 4.401
161 HD3 LYS 20 3HD LYS 20 26.098 21.742 3.574
162 HE2 LYS 20 2HE LYS 20 25.551 19.185 2.565
163 HE3 LYS 20 3HE LYS 20 23.998 20.017 2.631
164 HZ1 LYS 20 3HZ LYS 20 25.563 20.252 0.568
165 HZ2 LYS 20 1HZ LYS 20 26.302 21.444 1.514
166 HZ3 LYS 20 2HZ LYS 20 24.662 21.573 1.122
Start of MODEL 6
1 H1 ASN 1 H ASN 1 6.261 1.749 1.560
2 HA ASN 1 HA ASN 1 4.323 3.309 2.163
3 HB2 ASN 1 2HB ASN 1 6.602 5.092 1.802
4 HB3 ASN 1 3HB ASN 1 5.212 5.582 0.837
5 HD21 ASN 1 1HD2 ASN 1 3.711 6.753 1.798
6 HD22 ASN 1 2HD2 ASN 1 3.511 6.937 3.504
7 H SER 2 H SER 2 6.610 3.373 -0.552
8 HA SER 2 HA SER 2 4.496 2.449 -2.325
9 HB2 SER 2 2HB SER 2 5.025 5.153 -2.226
10 HB3 SER 2 3HB SER 2 6.033 4.613 -3.569
11 HG SER 2 HG SER 2 4.235 4.715 -4.652
12 H GLY 3 H GLY 3 7.886 3.486 -2.066
13 HA2 GLY 3 2HA GLY 3 8.661 1.060 -3.519
14 HA3 GLY 3 3HA GLY 3 9.207 2.608 -4.146
15 H LEU 4 H LEU 4 10.453 0.119 -2.748
16 HA LEU 4 HA LEU 4 11.591 0.905 -0.327
17 HB2 LEU 4 2HB LEU 4 12.622 -0.926 -2.482
18 HB3 LEU 4 3HB LEU 4 13.400 -0.737 -0.912
19 HG LEU 4 HG LEU 4 10.527 -1.541 -1.028
20 HD11 LEU 4 1HD1 LEU 4 12.834 -3.139 -1.949
21 HD12 LEU 4 2HD1 LEU 4 11.129 -3.247 -2.383
22 HD13 LEU 4 3HD1 LEU 4 11.697 -3.940 -0.864
23 HD21 LEU 4 3HD2 LEU 4 12.237 -2.899 0.847
24 HD22 LEU 4 1HD2 LEU 4 10.833 -1.874 1.146
25 HD23 LEU 4 2HD2 LEU 4 12.433 -1.150 0.978
26 H SER 5 H SER 5 12.867 1.233 -3.631
27 HA SER 5 HA SER 5 15.306 2.405 -3.025
28 HB2 SER 5 2HB SER 5 13.872 1.840 -5.348
29 HB3 SER 5 3HB SER 5 14.113 3.586 -5.399
30 HG SER 5 HG SER 5 15.873 1.662 -5.920
31 H PHE 6 H PHE 6 12.106 3.829 -3.200
32 HA PHE 6 HA PHE 6 12.990 6.539 -3.069
33 HB2 PHE 6 2HB PHE 6 10.481 5.140 -3.285
34 HB3 PHE 6 3HB PHE 6 10.366 6.392 -2.053
35 HD1 PHE 6 HD1 PHE 6 10.979 8.755 -2.675
36 HD2 PHE 6 HD2 PHE 6 10.437 5.675 -5.561
37 HE1 PHE 6 HE1 PHE 6 10.684 10.455 -4.429
38 HE2 PHE 6 HE2 PHE 6 10.142 7.370 -7.320
39 HZ PHE 6 HZ PHE 6 10.266 9.763 -6.755
40 H GLU 7 H GLU 7 12.376 4.049 -0.743
41 HA GLU 7 HA GLU 7 12.213 5.867 1.500
42 HB2 GLU 7 2HB GLU 7 11.029 3.613 1.329
43 HB3 GLU 7 3HB GLU 7 12.599 2.880 1.628
44 HG2 GLU 7 2HG GLU 7 12.252 3.084 3.797
45 HG3 GLU 7 3HG GLU 7 12.244 4.837 3.613
46 H GLU 8 H GLU 8 14.644 4.071 -0.186
47 HA GLU 8 HA GLU 8 16.586 4.180 1.936
48 HB2 GLU 8 2HB GLU 8 16.422 3.058 -0.766
49 HB3 GLU 8 3HB GLU 8 18.010 3.700 -0.369
50 HG2 GLU 8 2HG GLU 8 18.303 1.607 0.413
51 HG3 GLU 8 3HG GLU 8 17.577 2.312 1.857
52 HNA MK8 9 H MK8 9 15.745 6.145 -0.934
53 HB MK8 9 2HB MK8 9 15.618 7.917 -2.382
54 HBA MK8 9 3HB MK8 9 16.490 9.428 -2.166
55 HD MK8 9 2HD MK8 9 18.552 9.348 -4.667
56 HDA MK8 9 3HD MK8 9 18.594 9.813 -2.955
57 HE MK8 9 HE MK8 9 20.469 7.927 -2.528
58 HG MK8 9 2HG MK8 9 18.085 6.976 -3.108
59 HGA MK8 9 3HG MK8 9 16.983 7.735 -4.254
60 HB1 MK8 9 HBA MK8 9 19.177 8.598 -1.113
61 HB1A MK8 9 HGA MK8 9 19.145 7.714 0.098
62 HB1B MK8 9 HDA MK8 9 19.151 7.106 -1.273
63 H TYR 10 H TYR 10 15.019 7.616 0.392
64 HA TYR 10 HA TYR 10 14.758 10.172 1.579
65 HB2 TYR 10 2HB TYR 10 12.820 8.752 1.097
66 HB3 TYR 10 3HB TYR 10 13.378 7.571 2.276
67 HD1 TYR 10 HD2 TYR 10 12.345 11.140 1.988
68 HD2 TYR 10 HD1 TYR 10 12.640 7.703 4.478
69 HE1 TYR 10 HE2 TYR 10 11.090 12.314 3.747
70 HE2 TYR 10 HE1 TYR 10 11.384 8.867 6.244
71 HH TYR 10 HH TYR 10 10.800 12.207 6.186
72 H ARG 11 H ARG 11 16.683 7.538 2.390
73 HA ARG 11 HA ARG 11 17.022 8.565 5.131
74 HB2 ARG 11 2HB ARG 11 16.041 6.137 4.671
75 HB3 ARG 11 3HB ARG 11 17.746 5.745 4.495
76 HG2 ARG 11 2HG ARG 11 17.761 5.463 6.698
77 HG3 ARG 11 3HG ARG 11 17.678 7.222 6.816
78 HD2 ARG 11 2HD ARG 11 15.277 7.146 6.970
79 HD3 ARG 11 3HD ARG 11 15.274 5.408 6.673
80 HE ARG 11 HE ARG 11 15.749 6.728 9.164
81 HH11 ARG 11 1HH1 ARG 11 16.475 3.883 7.294
82 HH12 ARG 11 2HH1 ARG 11 16.799 2.895 8.680
83 HH21 ARG 11 1HH2 ARG 11 16.172 5.438 10.997
84 HH22 ARG 11 2HH2 ARG 11 16.625 3.780 10.786
85 H ASN 12 H ASN 12 18.394 8.426 2.177
86 HA ASN 12 HA ASN 12 21.080 8.722 3.298
87 HB2 ASN 12 2HB ASN 12 20.401 6.391 2.057
88 HB3 ASN 12 3HB ASN 12 21.011 7.330 0.698
89 HD21 ASN 12 1HD2 ASN 12 23.098 8.593 1.357
90 HD22 ASN 12 2HD2 ASN 12 24.307 7.622 2.119
91 HNA MK8 13 H MK8 13 18.948 10.596 2.205
92 HB MK8 13 2HB MK8 13 18.687 10.510 -0.802
93 HBA MK8 13 3HB MK8 13 18.210 12.196 -0.947
94 HD MK8 13 2HD MK8 13 22.079 10.869 -1.845
95 HDA MK8 13 3HD MK8 13 20.785 9.706 -1.497
96 HE MK8 13 HE MK8 13 20.513 10.799 -4.260
97 HG MK8 13 2HG MK8 13 19.519 11.786 -2.933
98 HGA MK8 13 3HG MK8 13 20.628 12.659 -1.878
99 HB1 MK8 13 HBA MK8 13 21.753 12.544 1.176
100 HB1A MK8 13 HGA MK8 13 21.842 11.756 -0.097
101 HB1B MK8 13 HDA MK8 13 21.357 13.175 -0.126
102 H TYR 14 H TYR 14 17.515 11.564 1.504
103 HA TYR 14 HA TYR 14 16.851 14.306 1.999
104 HB2 TYR 14 2HB TYR 14 15.388 12.023 1.599
105 HB3 TYR 14 3HB TYR 14 15.203 12.270 3.331
106 HD1 TYR 14 HD2 TYR 14 15.117 14.326 0.204
107 HD2 TYR 14 HD1 TYR 14 13.371 13.495 3.994
108 HE1 TYR 14 HE2 TYR 14 13.385 16.018 -0.229
109 HE2 TYR 14 HE1 TYR 14 11.634 15.184 3.572
110 HH TYR 14 HH TYR 14 11.258 17.138 2.213
111 H THR 15 H THR 15 18.410 11.831 3.771
112 HA THR 15 HA THR 15 17.867 13.065 6.357
113 HB THR 15 HB THR 15 19.491 10.615 5.645
114 HG1 THR 15 HG1 THR 15 17.661 9.605 6.767
115 HG21 THR 15 1HG2 THR 15 20.470 11.146 7.636
116 HG22 THR 15 2HG2 THR 15 19.039 10.324 8.257
117 HG23 THR 15 3HG2 THR 15 19.086 12.085 8.192
118 H MET 16 H MET 16 20.285 13.025 3.904
119 HA MET 16 HA MET 16 22.393 13.988 5.645
120 HB2 MET 16 2HB MET 16 22.671 12.488 3.558
121 HB3 MET 16 3HB MET 16 22.494 13.977 2.641
122 HG2 MET 16 2HG MET 16 24.479 14.857 3.434
123 HG3 MET 16 3HG MET 16 24.505 13.794 4.839
124 HE1 MET 16 3HE MET 16 24.588 12.719 0.635
125 HE2 MET 16 1HE MET 16 24.807 14.354 1.260
126 HE3 MET 16 2HE MET 16 26.210 13.396 0.788
127 H VAL 17 H VAL 17 19.947 15.280 3.570
128 HA VAL 17 HA VAL 17 21.165 17.867 3.255
129 HB VAL 17 HB VAL 17 18.332 16.952 2.740
130 HG11 VAL 17 1HG1 VAL 17 19.717 19.560 2.158
131 HG12 VAL 17 2HG1 VAL 17 18.237 19.050 1.343
132 HG13 VAL 17 3HG1 VAL 17 18.243 19.295 3.090
133 HG21 VAL 17 3HG2 VAL 17 20.192 17.675 0.553
134 HG22 VAL 17 1HG2 VAL 17 20.495 16.154 1.391
135 HG23 VAL 17 2HG2 VAL 17 18.938 16.437 0.613
136 H LEU 18 H LEU 18 18.695 16.440 5.334
137 HA LEU 18 HA LEU 18 17.992 18.906 6.598
138 HB2 LEU 18 2HB LEU 18 16.509 17.682 7.868
139 HB3 LEU 18 3HB LEU 18 16.631 16.720 6.396
140 HG LEU 18 HG LEU 18 18.494 15.475 7.838
141 HD11 LEU 18 1HD1 LEU 18 18.548 16.335 9.910
142 HD12 LEU 18 2HD1 LEU 18 17.103 15.356 10.161
143 HD13 LEU 18 3HD1 LEU 18 16.949 17.067 9.761
144 HD21 LEU 18 3HD2 LEU 18 16.992 13.747 8.037
145 HD22 LEU 18 1HD2 LEU 18 16.202 14.739 6.810
146 HD23 LEU 18 2HD2 LEU 18 15.659 14.811 8.487
147 H HIS 19 H HIS 19 20.342 16.396 7.173
148 HA HIS 19 HA HIS 19 20.957 17.129 9.859
149 HB2 HIS 19 2HB HIS 19 21.557 14.931 9.263
150 HB3 HIS 19 3HB HIS 19 22.349 15.456 7.780
151 HD1 HIS 19 HD1 HIS 19 24.709 16.625 8.072
152 HD2 HIS 19 HD2 HIS 19 23.170 14.830 11.488
153 HE1 HIS 19 HE1 HIS 19 26.649 16.428 9.660
154 H LYS 20 H LYS 20 22.687 17.646 6.783
155 HA LYS 20 HA LYS 20 24.632 19.375 7.916
156 HB2 LYS 20 2HB LYS 20 25.201 18.247 5.900
157 HB3 LYS 20 3HB LYS 20 23.765 18.842 5.078
158 HG2 LYS 20 2HG LYS 20 25.621 20.898 6.086
159 HG3 LYS 20 3HG LYS 20 26.208 19.895 4.757
160 HD2 LYS 20 2HD LYS 20 23.566 21.348 4.738
161 HD3 LYS 20 3HD LYS 20 25.053 21.993 4.040
162 HE2 LYS 20 2HE LYS 20 24.870 19.447 2.976
163 HE3 LYS 20 3HE LYS 20 23.201 20.016 2.988
164 HZ1 LYS 20 3HZ LYS 20 24.134 20.673 0.940
165 HZ2 LYS 20 1HZ LYS 20 25.535 21.280 1.670
166 HZ3 LYS 20 2HZ LYS 20 24.058 22.077 1.880
Start of MODEL 7
1 H1 ASN 1 H ASN 1 12.489 -3.596 -6.368
2 HA ASN 1 HA ASN 1 12.300 -1.546 -5.401
3 HB2 ASN 1 2HB ASN 1 13.419 -0.372 -7.941
4 HB3 ASN 1 3HB ASN 1 13.620 0.205 -6.288
5 HD21 ASN 1 1HD2 ASN 1 15.370 -0.897 -8.624
6 HD22 ASN 1 2HD2 ASN 1 16.486 -1.924 -7.796
7 H SER 2 H SER 2 10.209 -1.032 -5.157
8 HA SER 2 HA SER 2 8.976 0.651 -7.193
9 HB2 SER 2 2HB SER 2 8.329 -1.952 -7.283
10 HB3 SER 2 3HB SER 2 7.188 -1.429 -6.044
11 HG SER 2 HG SER 2 6.708 0.325 -7.659
12 H GLY 3 H GLY 3 8.163 -1.005 -4.132
13 HA2 GLY 3 2HA GLY 3 6.912 1.469 -3.185
14 HA3 GLY 3 3HA GLY 3 6.740 -0.121 -2.457
15 H LEU 4 H LEU 4 7.292 2.203 -0.987
16 HA LEU 4 HA LEU 4 8.636 2.934 0.694
17 HB2 LEU 4 2HB LEU 4 9.002 0.171 0.563
18 HB3 LEU 4 3HB LEU 4 10.628 0.845 0.665
19 HG LEU 4 HG LEU 4 9.615 2.186 2.678
20 HD11 LEU 4 1HD1 LEU 4 7.412 0.615 1.948
21 HD12 LEU 4 2HD1 LEU 4 7.593 1.620 3.385
22 HD13 LEU 4 3HD1 LEU 4 8.041 -0.085 3.440
23 HD21 LEU 4 3HD2 LEU 4 11.410 0.382 2.636
24 HD22 LEU 4 1HD2 LEU 4 10.126 -0.748 3.068
25 HD23 LEU 4 2HD2 LEU 4 10.521 0.591 4.146
26 H SER 5 H SER 5 9.270 3.444 -2.169
27 HA SER 5 HA SER 5 12.163 3.663 -2.217
28 HB2 SER 5 2HB SER 5 10.189 3.431 -4.182
29 HB3 SER 5 3HB SER 5 10.797 5.078 -4.352
30 HG SER 5 HG SER 5 12.956 3.868 -4.154
31 H PHE 6 H PHE 6 9.347 5.744 -1.883
32 HA PHE 6 HA PHE 6 10.803 8.196 -1.990
33 HB2 PHE 6 2HB PHE 6 8.685 9.174 -1.055
34 HB3 PHE 6 3HB PHE 6 8.467 8.243 -2.533
35 HD1 PHE 6 HD2 PHE 6 8.060 8.160 1.135
36 HD2 PHE 6 HD1 PHE 6 7.077 6.344 -2.587
37 HE1 PHE 6 HE2 PHE 6 6.359 6.783 2.260
38 HE2 PHE 6 HE1 PHE 6 5.373 4.965 -1.468
39 HZ PHE 6 HZ PHE 6 5.013 5.183 0.959
40 H GLU 7 H GLU 7 9.981 5.928 0.518
41 HA GLU 7 HA GLU 7 10.643 7.725 2.676
42 HB2 GLU 7 2HB GLU 7 8.978 5.742 2.720
43 HB3 GLU 7 3HB GLU 7 10.407 4.741 2.935
44 HG2 GLU 7 2HG GLU 7 10.984 6.017 4.948
45 HG3 GLU 7 3HG GLU 7 9.523 6.981 4.740
46 H GLU 8 H GLU 8 12.278 5.406 0.694
47 HA GLU 8 HA GLU 8 14.514 5.046 2.466
48 HB2 GLU 8 2HB GLU 8 13.861 3.297 0.869
49 HB3 GLU 8 3HB GLU 8 14.216 4.382 -0.468
50 HG2 GLU 8 2HG GLU 8 16.496 4.240 -0.156
51 HG3 GLU 8 3HG GLU 8 16.339 3.735 1.525
52 HNA MK8 9 H MK8 9 13.694 7.190 -0.280
53 HB MK8 9 2HB MK8 9 13.745 8.962 -1.731
54 HBA MK8 9 3HB MK8 9 14.966 10.226 -1.698
55 HD MK8 9 2HD MK8 9 16.514 9.703 -4.498
56 HDA MK8 9 3HD MK8 9 16.943 10.121 -2.828
57 HE MK8 9 HE MK8 9 18.375 7.846 -2.666
58 HG MK8 9 2HG MK8 9 15.772 7.483 -2.826
59 HGA MK8 9 3HG MK8 9 14.703 8.494 -3.795
60 HB1 MK8 9 HBA MK8 9 17.523 8.779 -1.076
61 HB1A MK8 9 HGA MK8 9 17.487 7.909 0.145
62 HB1B MK8 9 HDA MK8 9 17.126 7.337 -1.194
63 H TYR 10 H TYR 10 13.557 8.771 1.111
64 HA TYR 10 HA TYR 10 14.095 11.301 2.260
65 HB2 TYR 10 2HB TYR 10 11.828 10.376 2.136
66 HB3 TYR 10 3HB TYR 10 12.284 9.083 3.239
67 HD1 TYR 10 HD1 TYR 10 11.953 12.779 3.003
68 HD2 TYR 10 HD2 TYR 10 12.091 9.377 5.554
69 HE1 TYR 10 HE1 TYR 10 11.309 14.191 4.912
70 HE2 TYR 10 HE2 TYR 10 11.446 10.779 7.469
71 HH TYR 10 HH TYR 10 11.724 13.904 7.635
72 H ARG 11 H ARG 11 15.464 8.280 2.811
73 HA ARG 11 HA ARG 11 16.478 9.162 5.434
74 HB2 ARG 11 2HB ARG 11 15.029 6.819 4.845
75 HB3 ARG 11 3HB ARG 11 16.695 6.311 5.088
76 HG2 ARG 11 2HG ARG 11 15.537 8.181 7.072
77 HG3 ARG 11 3HG ARG 11 14.963 6.513 7.082
78 HD2 ARG 11 2HD ARG 11 17.071 5.661 7.576
79 HD3 ARG 11 3HD ARG 11 17.894 7.118 7.021
80 HE ARG 11 HE ARG 11 16.247 7.702 9.245
81 HH11 ARG 11 1HH1 ARG 11 19.244 6.153 8.387
82 HH12 ARG 11 2HH1 ARG 11 19.982 6.435 9.929
83 HH21 ARG 11 1HH2 ARG 11 17.207 8.079 11.279
84 HH22 ARG 11 2HH2 ARG 11 18.822 7.530 11.574
85 H ASN 12 H ASN 12 17.274 8.749 2.300
86 HA ASN 12 HA ASN 12 20.103 8.396 2.959
87 HB2 ASN 12 2HB ASN 12 18.707 6.305 1.905
88 HB3 ASN 12 3HB ASN 12 19.286 7.095 0.442
89 HD21 ASN 12 1HD2 ASN 12 21.345 6.829 -0.156
90 HD22 ASN 12 2HD2 ASN 12 22.537 5.980 0.761
91 HNA MK8 13 H MK8 13 18.312 10.730 2.182
92 HB MK8 13 2HB MK8 13 17.548 10.749 -0.738
93 HBA MK8 13 3HB MK8 13 17.458 12.501 -0.846
94 HD MK8 13 2HD MK8 13 20.711 10.323 -2.330
95 HDA MK8 13 3HD MK8 13 19.258 9.488 -1.746
96 HE MK8 13 HE MK8 13 18.796 10.652 -4.454
97 HG MK8 13 2HG MK8 13 18.290 11.825 -3.008
98 HGA MK8 13 3HG MK8 13 19.729 12.402 -2.170
99 HB1 MK8 13 HBA MK8 13 21.284 11.986 0.662
100 HB1A MK8 13 HGA MK8 13 20.978 11.216 -0.589
101 HB1B MK8 13 HDA MK8 13 20.837 12.709 -0.574
102 H TYR 14 H TYR 14 17.048 12.014 1.701
103 HA TYR 14 HA TYR 14 17.127 14.828 2.229
104 HB2 TYR 14 2HB TYR 14 15.130 12.954 2.130
105 HB3 TYR 14 3HB TYR 14 15.295 13.213 3.863
106 HD1 TYR 14 HD2 TYR 14 15.173 15.276 0.741
107 HD2 TYR 14 HD1 TYR 14 13.933 14.821 4.786
108 HE1 TYR 14 HE2 TYR 14 13.834 17.330 0.555
109 HE2 TYR 14 HE1 TYR 14 12.589 16.874 4.611
110 HH TYR 14 HH TYR 14 12.049 18.618 3.338
111 H THR 15 H THR 15 18.341 12.034 3.785
112 HA THR 15 HA THR 15 18.531 13.325 6.392
113 HB THR 15 HB THR 15 19.404 10.575 5.486
114 HG1 THR 15 HG1 THR 15 17.275 11.338 7.218
115 HG21 THR 15 1HG2 THR 15 19.745 12.053 8.046
116 HG22 THR 15 2HG2 THR 15 20.803 10.872 7.274
117 HG23 THR 15 3HG2 THR 15 19.356 10.335 8.127
118 H MET 16 H MET 16 20.438 12.757 3.580
119 HA MET 16 HA MET 16 22.967 13.181 4.929
120 HB2 MET 16 2HB MET 16 22.543 11.687 2.862
121 HB3 MET 16 3HB MET 16 22.568 13.190 1.949
122 HG2 MET 16 2HG MET 16 24.766 13.028 1.837
123 HG3 MET 16 3HG MET 16 24.835 13.258 3.582
124 HE1 MET 16 3HE MET 16 26.451 11.711 4.778
125 HE2 MET 16 1HE MET 16 27.189 10.369 3.903
126 HE3 MET 16 2HE MET 16 27.212 11.991 3.211
127 H VAL 17 H VAL 17 20.580 15.035 3.249
128 HA VAL 17 HA VAL 17 22.293 17.272 2.675
129 HB VAL 17 HB VAL 17 19.281 17.047 2.654
130 HG11 VAL 17 1HG1 VAL 17 20.074 19.129 0.983
131 HG12 VAL 17 2HG1 VAL 17 19.261 19.270 2.543
132 HG13 VAL 17 3HG1 VAL 17 21.021 19.343 2.455
133 HG21 VAL 17 3HG2 VAL 17 20.866 17.352 0.173
134 HG22 VAL 17 1HG2 VAL 17 20.952 15.790 0.989
135 HG23 VAL 17 2HG2 VAL 17 19.392 16.430 0.473
136 H LEU 18 H LEU 18 19.937 16.429 5.165
137 HA LEU 18 HA LEU 18 20.043 18.974 6.465
138 HB2 LEU 18 2HB LEU 18 18.547 18.110 7.990
139 HB3 LEU 18 3HB LEU 18 18.198 17.167 6.543
140 HG LEU 18 HG LEU 18 19.933 15.503 7.692
141 HD11 LEU 18 1HD1 LEU 18 19.077 15.595 10.201
142 HD12 LEU 18 2HD1 LEU 18 19.011 17.320 9.844
143 HD13 LEU 18 3HD1 LEU 18 20.531 16.442 9.672
144 HD21 LEU 18 3HD2 LEU 18 17.172 15.501 8.814
145 HD22 LEU 18 1HD2 LEU 18 18.128 14.168 8.167
146 HD23 LEU 18 2HD2 LEU 18 17.393 15.339 7.072
147 H HIS 19 H HIS 19 21.810 15.978 6.709
148 HA HIS 19 HA HIS 19 23.012 16.511 9.240
149 HB2 HIS 19 2HB HIS 19 22.976 14.242 8.612
150 HB3 HIS 19 3HB HIS 19 23.614 14.585 7.007
151 HD1 HIS 19 HD1 HIS 19 26.197 15.166 6.881
152 HD2 HIS 19 HD2 HIS 19 24.863 13.736 10.547
153 HE1 HIS 19 HE1 HIS 19 28.271 14.499 8.138
154 H LYS 20 H LYS 20 24.272 16.659 5.907
155 HA LYS 20 HA LYS 20 26.727 17.874 6.667
156 HB2 LYS 20 2HB LYS 20 26.681 16.650 4.622
157 HB3 LYS 20 3HB LYS 20 25.318 17.582 4.016
158 HG2 LYS 20 2HG LYS 20 27.550 19.299 4.637
159 HG3 LYS 20 3HG LYS 20 28.015 18.023 3.510
160 HD2 LYS 20 2HD LYS 20 27.207 19.462 1.969
161 HD3 LYS 20 3HD LYS 20 25.654 18.769 2.441
162 HE2 LYS 20 2HE LYS 20 25.019 20.631 3.590
163 HE3 LYS 20 3HE LYS 20 26.672 21.055 4.033
164 HZ1 LYS 20 3HZ LYS 20 25.206 22.277 2.120
165 HZ2 LYS 20 1HZ LYS 20 26.158 21.216 1.208
166 HZ3 LYS 20 2HZ LYS 20 26.893 22.338 2.238
Start of MODEL 8
1 H1 ASN 1 H ASN 1 3.302 -2.020 -1.383
2 HA ASN 1 HA ASN 1 5.500 -2.941 -2.149
3 HB2 ASN 1 2HB ASN 1 3.549 -4.591 -3.612
4 HB3 ASN 1 3HB ASN 1 4.907 -4.034 -4.584
5 HD21 ASN 1 1HD2 ASN 1 3.828 -6.378 -2.495
6 HD22 ASN 1 2HD2 ASN 1 5.347 -7.084 -2.072
7 H SER 2 H SER 2 5.855 -0.755 -2.423
8 HA SER 2 HA SER 2 4.874 0.423 -4.938
9 HB2 SER 2 2HB SER 2 4.988 1.444 -2.249
10 HB3 SER 2 3HB SER 2 5.966 2.457 -3.311
11 HG SER 2 HG SER 2 3.986 2.295 -4.739
12 H GLY 3 H GLY 3 7.699 -0.151 -2.931
13 HA2 GLY 3 2HA GLY 3 9.653 -0.645 -4.563
14 HA3 GLY 3 3HA GLY 3 9.421 1.043 -4.993
15 H LEU 4 H LEU 4 8.787 1.891 -2.290
16 HA LEU 4 HA LEU 4 9.853 2.756 -0.478
17 HB2 LEU 4 2HB LEU 4 11.533 0.259 -0.628
18 HB3 LEU 4 3HB LEU 4 11.311 1.299 0.778
19 HG LEU 4 HG LEU 4 9.129 -0.342 -0.507
20 HD11 LEU 4 1HD1 LEU 4 9.700 -2.087 0.751
21 HD12 LEU 4 2HD1 LEU 4 9.956 -1.079 2.175
22 HD13 LEU 4 3HD1 LEU 4 11.249 -1.279 0.993
23 HD21 LEU 4 3HD2 LEU 4 8.454 0.258 2.105
24 HD22 LEU 4 1HD2 LEU 4 7.804 1.022 0.654
25 HD23 LEU 4 2HD2 LEU 4 9.167 1.755 1.501
26 H SER 5 H SER 5 10.893 3.234 -3.225
27 HA SER 5 HA SER 5 13.750 3.570 -2.843
28 HB2 SER 5 2HB SER 5 11.881 4.122 -5.145
29 HB3 SER 5 3HB SER 5 13.569 4.632 -5.169
30 HG SER 5 HG SER 5 13.792 2.677 -5.968
31 H PHE 6 H PHE 6 10.841 5.541 -2.990
32 HA PHE 6 HA PHE 6 12.203 8.047 -2.940
33 HB2 PHE 6 2HB PHE 6 9.933 8.956 -2.359
34 HB3 PHE 6 3HB PHE 6 9.976 7.989 -3.829
35 HD1 PHE 6 HD2 PHE 6 9.023 7.959 -0.262
36 HD2 PHE 6 HD1 PHE 6 8.680 6.034 -4.043
37 HE1 PHE 6 HE2 PHE 6 7.224 6.537 0.629
38 HE2 PHE 6 HE1 PHE 6 6.880 4.610 -3.158
39 HZ PHE 6 HZ PHE 6 6.150 4.859 -0.819
40 H GLU 7 H GLU 7 11.097 5.797 -0.527
41 HA GLU 7 HA GLU 7 11.357 7.663 1.659
42 HB2 GLU 7 2HB GLU 7 10.749 5.831 3.083
43 HB3 GLU 7 3HB GLU 7 9.719 5.775 1.660
44 HG2 GLU 7 2HG GLU 7 10.266 3.627 1.538
45 HG3 GLU 7 3HG GLU 7 11.827 4.181 0.935
46 H GLU 8 H GLU 8 13.359 5.374 0.007
47 HA GLU 8 HA GLU 8 15.314 5.140 2.103
48 HB2 GLU 8 2HB GLU 8 14.804 3.454 0.213
49 HB3 GLU 8 3HB GLU 8 15.806 4.493 -0.791
50 HG2 GLU 8 2HG GLU 8 17.105 3.873 1.712
51 HG3 GLU 8 3HG GLU 8 16.655 2.414 0.831
52 HNA MK8 9 H MK8 9 14.838 7.194 -0.790
53 HB MK8 9 2HB MK8 9 15.040 8.938 -2.261
54 HBA MK8 9 3HB MK8 9 16.194 10.252 -2.077
55 HD MK8 9 2HD MK8 9 18.167 9.738 -4.598
56 HDA MK8 9 3HD MK8 9 18.323 10.205 -2.893
57 HE MK8 9 HE MK8 9 19.798 7.995 -2.461
58 HG MK8 9 2HG MK8 9 17.263 7.523 -3.001
59 HGA MK8 9 3HG MK8 9 16.317 8.471 -4.146
60 HB1 MK8 9 HBA MK8 9 18.681 8.923 -1.042
61 HB1A MK8 9 HGA MK8 9 18.493 8.075 0.181
62 HB1B MK8 9 HDA MK8 9 18.361 7.464 -1.182
63 H TYR 10 H TYR 10 14.433 8.796 0.524
64 HA TYR 10 HA TYR 10 14.697 11.367 1.676
65 HB2 TYR 10 2HB TYR 10 12.511 10.348 1.236
66 HB3 TYR 10 3HB TYR 10 12.843 9.098 2.430
67 HD1 TYR 10 HD2 TYR 10 12.473 12.785 2.072
68 HD2 TYR 10 HD1 TYR 10 12.227 9.415 4.657
69 HE1 TYR 10 HE2 TYR 10 11.497 14.208 3.824
70 HE2 TYR 10 HE1 TYR 10 11.249 10.829 6.416
71 HH TYR 10 HH TYR 10 9.972 12.982 6.549
72 H ARG 11 H ARG 11 16.078 8.417 2.504
73 HA ARG 11 HA ARG 11 16.650 9.390 5.225
74 HB2 ARG 11 2HB ARG 11 15.610 6.826 4.333
75 HB3 ARG 11 3HB ARG 11 17.087 6.642 5.270
76 HG2 ARG 11 2HG ARG 11 15.785 8.367 6.848
77 HG3 ARG 11 3HG ARG 11 14.408 7.548 6.107
78 HD2 ARG 11 2HD ARG 11 14.828 6.252 7.983
79 HD3 ARG 11 3HD ARG 11 15.675 5.378 6.707
80 HE ARG 11 HE ARG 11 17.446 7.196 7.912
81 HH11 ARG 11 1HH1 ARG 11 15.747 4.238 8.609
82 HH12 ARG 11 2HH1 ARG 11 16.932 3.671 9.739
83 HH21 ARG 11 1HH2 ARG 11 19.013 6.459 9.397
84 HH22 ARG 11 2HH2 ARG 11 18.789 4.935 10.187
85 H ASN 12 H ASN 12 17.926 8.949 2.258
86 HA ASN 12 HA ASN 12 20.634 8.725 3.343
87 HB2 ASN 12 2HB ASN 12 19.493 6.558 2.146
88 HB3 ASN 12 3HB ASN 12 20.257 7.343 0.766
89 HD21 ASN 12 1HD2 ASN 12 22.543 7.810 0.923
90 HD22 ASN 12 2HD2 ASN 12 23.555 6.773 1.864
91 HNA MK8 13 H MK8 13 18.896 10.968 2.247
92 HB MK8 13 2HB MK8 13 18.581 10.898 -0.754
93 HBA MK8 13 3HB MK8 13 18.442 12.643 -0.919
94 HD MK8 13 2HD MK8 13 21.962 10.571 -1.842
95 HDA MK8 13 3HD MK8 13 20.469 9.689 -1.462
96 HE MK8 13 HE MK8 13 20.378 10.780 -4.237
97 HG MK8 13 2HG MK8 13 19.616 11.960 -2.914
98 HGA MK8 13 3HG MK8 13 20.890 12.611 -1.884
99 HB1 MK8 13 HBA MK8 13 22.014 12.314 1.158
100 HB1A MK8 13 HGA MK8 13 21.929 11.509 -0.104
101 HB1B MK8 13 HDA MK8 13 21.731 12.995 -0.148
102 H TYR 14 H TYR 14 17.671 12.190 1.549
103 HA TYR 14 HA TYR 14 17.564 15.015 2.011
104 HB2 TYR 14 2HB TYR 14 15.677 13.059 1.661
105 HB3 TYR 14 3HB TYR 14 15.568 13.359 3.392
106 HD1 TYR 14 HD1 TYR 14 15.843 15.353 0.235
107 HD2 TYR 14 HD2 TYR 14 14.025 14.930 4.058
108 HE1 TYR 14 HE1 TYR 14 14.471 17.346 -0.204
109 HE2 TYR 14 HE2 TYR 14 12.647 16.922 3.630
110 HH TYR 14 HH TYR 14 13.276 19.139 1.366
111 H THR 15 H THR 15 18.633 12.303 3.802
112 HA THR 15 HA THR 15 18.378 13.651 6.374
113 HB THR 15 HB THR 15 19.481 10.922 5.680
114 HG1 THR 15 HG1 THR 15 17.128 11.515 7.147
115 HG21 THR 15 1HG2 THR 15 20.567 11.244 7.653
116 HG22 THR 15 2HG2 THR 15 18.998 10.780 8.311
117 HG23 THR 15 3HG2 THR 15 19.438 12.483 8.197
118 H MET 16 H MET 16 20.708 13.108 3.896
119 HA MET 16 HA MET 16 22.987 13.661 5.599
120 HB2 MET 16 2HB MET 16 22.938 12.111 3.531
121 HB3 MET 16 3HB MET 16 23.041 13.596 2.594
122 HG2 MET 16 2HG MET 16 25.035 13.798 4.540
123 HG3 MET 16 3HG MET 16 25.108 12.140 3.948
124 HE1 MET 16 3HE MET 16 27.902 14.325 2.711
125 HE2 MET 16 1HE MET 16 27.379 12.957 3.694
126 HE3 MET 16 2HE MET 16 27.797 12.714 1.998
127 H VAL 17 H VAL 17 20.813 15.383 3.532
128 HA VAL 17 HA VAL 17 22.507 17.677 3.165
129 HB VAL 17 HB VAL 17 19.543 17.329 2.700
130 HG11 VAL 17 1HG1 VAL 17 19.606 19.590 2.771
131 HG12 VAL 17 2HG1 VAL 17 21.340 19.662 2.454
132 HG13 VAL 17 3HG1 VAL 17 20.211 19.391 1.127
133 HG21 VAL 17 3HG2 VAL 17 21.585 16.178 1.324
134 HG22 VAL 17 1HG2 VAL 17 20.011 16.576 0.635
135 HG23 VAL 17 2HG2 VAL 17 21.369 17.682 0.429
136 H LEU 18 H LEU 18 19.835 16.788 5.295
137 HA LEU 18 HA LEU 18 19.649 19.359 6.532
138 HB2 LEU 18 2HB LEU 18 17.976 18.463 7.839
139 HB3 LEU 18 3HB LEU 18 17.883 17.480 6.379
140 HG LEU 18 HG LEU 18 19.488 15.910 7.814
141 HD11 LEU 18 1HD1 LEU 18 18.180 16.061 10.159
142 HD12 LEU 18 2HD1 LEU 18 18.268 17.773 9.743
143 HD13 LEU 18 3HD1 LEU 18 19.746 16.817 9.860
144 HD21 LEU 18 3HD2 LEU 18 17.094 15.609 6.820
145 HD22 LEU 18 1HD2 LEU 18 16.582 15.835 8.493
146 HD23 LEU 18 2HD2 LEU 18 17.674 14.514 8.076
147 H HIS 19 H HIS 19 21.471 16.444 7.114
148 HA HIS 19 HA HIS 19 22.259 17.077 9.780
149 HB2 HIS 19 2HB HIS 19 22.400 14.795 9.215
150 HB3 HIS 19 3HB HIS 19 23.259 15.130 7.715
151 HD1 HIS 19 HD1 HIS 19 25.808 15.811 7.959
152 HD2 HIS 19 HD2 HIS 19 23.994 14.408 11.423
153 HE1 HIS 19 HE1 HIS 19 27.693 15.255 9.527
154 H LYS 20 H LYS 20 23.988 17.216 6.666
155 HA LYS 20 HA LYS 20 26.255 18.548 7.756
156 HB2 LYS 20 2HB LYS 20 26.532 17.246 5.760
157 HB3 LYS 20 3HB LYS 20 25.294 18.169 4.919
158 HG2 LYS 20 2HG LYS 20 27.314 19.960 5.833
159 HG3 LYS 20 3HG LYS 20 28.075 18.618 4.974
160 HD2 LYS 20 2HD LYS 20 27.618 20.182 3.297
161 HD3 LYS 20 3HD LYS 20 26.296 19.020 3.169
162 HE2 LYS 20 2HE LYS 20 25.470 21.310 3.019
163 HE3 LYS 20 3HE LYS 20 24.857 20.509 4.465
164 HZ1 LYS 20 3HZ LYS 20 27.260 21.775 5.124
165 HZ2 LYS 20 1HZ LYS 20 25.702 22.138 5.675
166 HZ3 LYS 20 2HZ LYS 20 26.307 22.897 4.290
Start of MODEL 9
1 H1 ASN 1 H ASN 1 8.556 4.363 -5.773
2 HA ASN 1 HA ASN 1 7.009 3.086 -7.193
3 HB2 ASN 1 2HB ASN 1 9.334 4.092 -8.036
4 HB3 ASN 1 3HB ASN 1 9.666 2.390 -8.345
5 HD21 ASN 1 1HD2 ASN 1 9.753 2.985 -10.577
6 HD22 ASN 1 2HD2 ASN 1 8.293 3.153 -11.486
7 H SER 2 H SER 2 9.867 1.245 -6.151
8 HA SER 2 HA SER 2 8.550 -1.254 -6.878
9 HB2 SER 2 2HB SER 2 11.270 -0.376 -6.656
10 HB3 SER 2 3HB SER 2 11.027 -1.758 -5.588
11 HG SER 2 HG SER 2 10.905 -1.603 -8.361
12 H GLY 3 H GLY 3 9.611 0.529 -4.038
13 HA2 GLY 3 2HA GLY 3 7.861 -0.073 -2.186
14 HA3 GLY 3 3HA GLY 3 8.672 -1.629 -2.288
15 H LEU 4 H LEU 4 8.498 0.969 -0.425
16 HA LEU 4 HA LEU 4 9.813 1.911 1.173
17 HB2 LEU 4 2HB LEU 4 11.714 -0.368 0.688
18 HB3 LEU 4 3HB LEU 4 11.516 0.578 2.162
19 HG LEU 4 HG LEU 4 9.577 -1.439 1.035
20 HD11 LEU 4 1HD1 LEU 4 10.266 -2.053 3.660
21 HD12 LEU 4 2HD1 LEU 4 11.783 -1.594 2.887
22 HD13 LEU 4 3HD1 LEU 4 10.798 -2.884 2.198
23 HD21 LEU 4 3HD2 LEU 4 8.325 -1.012 3.151
24 HD22 LEU 4 1HD2 LEU 4 8.300 0.332 2.010
25 HD23 LEU 4 2HD2 LEU 4 9.359 0.393 3.419
26 H SER 5 H SER 5 10.265 2.482 -1.712
27 HA SER 5 HA SER 5 13.104 3.063 -1.875
28 HB2 SER 5 2HB SER 5 11.422 4.265 -3.939
29 HB3 SER 5 3HB SER 5 12.774 3.144 -4.101
30 HG SER 5 HG SER 5 11.407 1.565 -4.295
31 H PHE 6 H PHE 6 10.065 4.777 -1.425
32 HA PHE 6 HA PHE 6 11.186 7.391 -1.596
33 HB2 PHE 6 2HB PHE 6 9.019 8.115 -0.599
34 HB3 PHE 6 3HB PHE 6 8.825 7.082 -2.011
35 HD1 PHE 6 HD1 PHE 6 8.617 7.201 1.665
36 HD2 PHE 6 HD2 PHE 6 7.743 4.982 -1.860
37 HE1 PHE 6 HE1 PHE 6 7.181 5.692 2.975
38 HE2 PHE 6 HE2 PHE 6 6.305 3.470 -0.557
39 HZ PHE 6 HZ PHE 6 6.022 3.824 1.864
40 H GLU 7 H GLU 7 10.759 5.061 0.961
41 HA GLU 7 HA GLU 7 11.317 6.943 3.075
42 HB2 GLU 7 2HB GLU 7 10.145 4.425 2.944
43 HB3 GLU 7 3HB GLU 7 11.670 4.139 3.770
44 HG2 GLU 7 2HG GLU 7 10.256 6.479 4.765
45 HG3 GLU 7 3HG GLU 7 9.338 4.984 4.934
46 H GLU 8 H GLU 8 13.115 4.818 1.018
47 HA GLU 8 HA GLU 8 15.461 4.727 2.675
48 HB2 GLU 8 2HB GLU 8 14.964 2.910 1.114
49 HB3 GLU 8 3HB GLU 8 15.076 4.025 -0.240
50 HG2 GLU 8 2HG GLU 8 17.454 4.436 0.401
51 HG3 GLU 8 3HG GLU 8 17.295 3.138 1.583
52 HNA MK8 9 H MK8 9 14.257 6.770 -0.004
53 HB MK8 9 2HB MK8 9 14.020 8.547 -1.428
54 HBA MK8 9 3HB MK8 9 15.086 9.945 -1.444
55 HD MK8 9 2HD MK8 9 16.526 9.630 -4.331
56 HDA MK8 9 3HD MK8 9 17.000 10.076 -2.680
57 HE MK8 9 HE MK8 9 18.690 7.983 -2.636
58 HG MK8 9 2HG MK8 9 16.135 7.323 -2.658
59 HGA MK8 9 3HG MK8 9 14.906 8.216 -3.551
60 HB1 MK8 9 HBA MK8 9 17.828 8.796 -0.987
61 HB1A MK8 9 HGA MK8 9 17.959 7.911 0.217
62 HB1B MK8 9 HDA MK8 9 17.588 7.321 -1.111
63 H TYR 10 H TYR 10 14.016 8.325 1.413
64 HA TYR 10 HA TYR 10 14.332 10.889 2.564
65 HB2 TYR 10 2HB TYR 10 12.208 9.524 2.509
66 HB3 TYR 10 3HB TYR 10 12.890 8.537 3.797
67 HD1 TYR 10 HD1 TYR 10 11.874 12.006 2.944
68 HD2 TYR 10 HD2 TYR 10 12.728 9.216 6.040
69 HE1 TYR 10 HE1 TYR 10 11.018 13.601 4.609
70 HE2 TYR 10 HE2 TYR 10 11.873 10.802 7.714
71 HH TYR 10 HH TYR 10 11.604 13.818 7.419
72 H ARG 11 H ARG 11 16.055 8.034 3.004
73 HA ARG 11 HA ARG 11 17.113 9.008 5.575
74 HB2 ARG 11 2HB ARG 11 16.109 6.378 4.827
75 HB3 ARG 11 3HB ARG 11 17.747 6.308 5.462
76 HG2 ARG 11 2HG ARG 11 17.120 6.975 7.548
77 HG3 ARG 11 3HG ARG 11 15.742 7.906 6.956
78 HD2 ARG 11 2HD ARG 11 14.491 6.197 7.669
79 HD3 ARG 11 3HD ARG 11 15.085 5.338 6.248
80 HE ARG 11 HE ARG 11 16.306 3.991 7.630
81 HH11 ARG 11 1HH1 ARG 11 15.392 6.861 9.376
82 HH12 ARG 11 2HH1 ARG 11 15.996 6.286 10.895
83 HH21 ARG 11 1HH2 ARG 11 17.105 3.224 9.625
84 HH22 ARG 11 2HH2 ARG 11 16.970 4.218 11.035
85 H ASN 12 H ASN 12 17.773 8.719 2.398
86 HA ASN 12 HA ASN 12 20.656 8.681 2.894
87 HB2 ASN 12 2HB ASN 12 19.445 6.453 1.888
88 HB3 ASN 12 3HB ASN 12 19.855 7.315 0.408
89 HD21 ASN 12 1HD2 ASN 12 22.202 8.509 1.042
90 HD22 ASN 12 2HD2 ASN 12 23.409 7.317 1.366
91 HNA MK8 13 H MK8 13 18.574 10.803 2.250
92 HB MK8 13 2HB MK8 13 17.648 10.754 -0.624
93 HBA MK8 13 3HB MK8 13 17.352 12.486 -0.701
94 HD MK8 13 2HD MK8 13 20.742 10.705 -2.397
95 HDA MK8 13 3HD MK8 13 19.429 9.706 -1.745
96 HE MK8 13 HE MK8 13 18.681 10.831 -4.404
97 HG MK8 13 2HG MK8 13 18.131 11.928 -2.916
98 HGA MK8 13 3HG MK8 13 19.541 12.657 -2.152
99 HB1 MK8 13 HBA MK8 13 21.293 12.397 0.582
100 HB1A MK8 13 HGA MK8 13 21.004 11.607 -0.660
101 HB1B MK8 13 HDA MK8 13 20.697 13.075 -0.616
102 H TYR 14 H TYR 14 17.147 11.938 1.858
103 HA TYR 14 HA TYR 14 16.940 14.740 2.418
104 HB2 TYR 14 2HB TYR 14 15.163 12.653 2.404
105 HB3 TYR 14 3HB TYR 14 15.394 12.918 4.128
106 HD1 TYR 14 HD1 TYR 14 14.869 14.974 1.044
107 HD2 TYR 14 HD2 TYR 14 13.915 14.358 5.144
108 HE1 TYR 14 HE1 TYR 14 13.299 16.866 0.957
109 HE2 TYR 14 HE2 TYR 14 12.342 16.247 5.069
110 HH TYR 14 HH TYR 14 11.120 17.515 2.372
111 H THR 15 H THR 15 18.545 12.089 3.865
112 HA THR 15 HA THR 15 18.734 13.371 6.476
113 HB THR 15 HB THR 15 19.861 10.746 5.484
114 HG1 THR 15 HG1 THR 15 17.575 11.483 6.986
115 HG21 THR 15 1HG2 THR 15 21.320 11.246 7.196
116 HG22 THR 15 2HG2 THR 15 20.027 10.446 8.090
117 HG23 THR 15 3HG2 THR 15 20.130 12.207 8.073
118 H MET 16 H MET 16 20.532 13.047 3.556
119 HA MET 16 HA MET 16 23.069 13.744 4.770
120 HB2 MET 16 2HB MET 16 22.700 12.229 2.707
121 HB3 MET 16 3HB MET 16 22.505 13.733 1.817
122 HG2 MET 16 2HG MET 16 24.709 14.374 2.167
123 HG3 MET 16 3HG MET 16 24.915 13.266 3.521
124 HE1 MET 16 3HE MET 16 26.252 12.852 -0.569
125 HE2 MET 16 1HE MET 16 24.496 12.909 -0.730
126 HE3 MET 16 2HE MET 16 25.340 14.169 0.171
127 H VAL 17 H VAL 17 20.397 15.329 3.250
128 HA VAL 17 HA VAL 17 21.812 17.751 2.616
129 HB VAL 17 HB VAL 17 18.848 17.187 2.760
130 HG11 VAL 17 1HG1 VAL 17 18.644 19.414 2.773
131 HG12 VAL 17 2HG1 VAL 17 20.348 19.662 2.386
132 HG13 VAL 17 3HG1 VAL 17 19.187 19.340 1.097
133 HG21 VAL 17 3HG2 VAL 17 20.086 17.719 0.165
134 HG22 VAL 17 1HG2 VAL 17 20.668 16.249 0.947
135 HG23 VAL 17 2HG2 VAL 17 18.944 16.462 0.641
136 H LEU 18 H LEU 18 19.709 16.627 5.220
137 HA LEU 18 HA LEU 18 19.602 19.156 6.550
138 HB2 LEU 18 2HB LEU 18 18.305 18.114 8.144
139 HB3 LEU 18 3HB LEU 18 17.981 17.151 6.705
140 HG LEU 18 HG LEU 18 19.957 15.684 7.727
141 HD11 LEU 18 1HD1 LEU 18 20.554 16.321 9.768
142 HD12 LEU 18 2HD1 LEU 18 18.946 15.849 10.318
143 HD13 LEU 18 3HD1 LEU 18 19.260 17.517 9.840
144 HD21 LEU 18 3HD2 LEU 18 17.422 15.235 7.249
145 HD22 LEU 18 1HD2 LEU 18 17.280 15.362 9.002
146 HD23 LEU 18 2HD2 LEU 18 18.343 14.148 8.290
147 H HIS 19 H HIS 19 21.708 16.378 6.653
148 HA HIS 19 HA HIS 19 22.985 17.026 9.118
149 HB2 HIS 19 2HB HIS 19 23.169 14.771 8.463
150 HB3 HIS 19 3HB HIS 19 23.671 15.196 6.829
151 HD1 HIS 19 HD1 HIS 19 26.159 16.066 6.565
152 HD2 HIS 19 HD2 HIS 19 25.211 14.471 10.281
153 HE1 HIS 19 HE1 HIS 19 28.365 15.631 7.692
154 H LYS 20 H LYS 20 24.016 17.349 5.721
155 HA LYS 20 HA LYS 20 26.359 18.832 6.363
156 HB2 LYS 20 2HB LYS 20 26.303 17.587 4.311
157 HB3 LYS 20 3HB LYS 20 24.859 18.434 3.773
158 HG2 LYS 20 2HG LYS 20 26.888 20.356 4.310
159 HG3 LYS 20 3HG LYS 20 27.561 19.086 3.285
160 HD2 LYS 20 2HD LYS 20 26.665 20.369 1.644
161 HD3 LYS 20 3HD LYS 20 25.215 19.444 2.044
162 HE2 LYS 20 2HE LYS 20 24.698 21.812 1.901
163 HE3 LYS 20 3HE LYS 20 24.503 21.240 3.557
164 HZ1 LYS 20 3HZ LYS 20 27.136 22.130 3.243
165 HZ2 LYS 20 1HZ LYS 20 25.918 22.788 4.216
166 HZ3 LYS 20 2HZ LYS 20 26.114 23.329 2.626
Start of MODEL 10
1 H1 ASN 1 H ASN 1 3.656 3.392 1.351
2 HA ASN 1 HA ASN 1 6.150 3.293 1.250
3 HB2 ASN 1 2HB ASN 1 7.174 1.394 2.502
4 HB3 ASN 1 3HB ASN 1 6.488 2.632 3.551
5 HD21 ASN 1 1HD2 ASN 1 6.696 -0.614 2.985
6 HD22 ASN 1 2HD2 ASN 1 5.329 -1.146 3.898
7 H SER 2 H SER 2 4.301 2.730 -0.558
8 HA SER 2 HA SER 2 3.947 0.029 -1.257
9 HB2 SER 2 2HB SER 2 3.064 2.471 -2.236
10 HB3 SER 2 3HB SER 2 4.047 1.829 -3.552
11 HG SER 2 HG SER 2 1.599 1.179 -3.012
12 H GLY 3 H GLY 3 6.483 2.349 -2.004
13 HA2 GLY 3 2HA GLY 3 7.843 0.357 -3.677
14 HA3 GLY 3 3HA GLY 3 8.250 2.064 -3.573
15 H LEU 4 H LEU 4 10.284 2.162 -2.868
16 HA LEU 4 HA LEU 4 10.967 1.548 -0.224
17 HB2 LEU 4 2HB LEU 4 12.706 -0.233 -0.801
18 HB3 LEU 4 3HB LEU 4 11.021 -0.731 -0.671
19 HG LEU 4 HG LEU 4 11.541 -0.074 -3.389
20 HD11 LEU 4 1HD1 LEU 4 13.445 -1.141 -3.985
21 HD12 LEU 4 2HD1 LEU 4 13.342 -2.303 -2.664
22 HD13 LEU 4 3HD1 LEU 4 13.930 -0.669 -2.357
23 HD21 LEU 4 3HD2 LEU 4 10.468 -2.038 -3.758
24 HD22 LEU 4 1HD2 LEU 4 10.023 -1.822 -2.065
25 HD23 LEU 4 2HD2 LEU 4 11.357 -2.892 -2.496
26 H SER 5 H SER 5 12.282 1.734 -3.516
27 HA SER 5 HA SER 5 14.817 2.702 -2.893
28 HB2 SER 5 2HB SER 5 13.069 2.729 -5.287
29 HB3 SER 5 3HB SER 5 14.369 3.921 -5.263
30 HG SER 5 HG SER 5 15.244 2.112 -6.143
31 H PHE 6 H PHE 6 11.742 4.369 -3.152
32 HA PHE 6 HA PHE 6 12.836 7.004 -3.066
33 HB2 PHE 6 2HB PHE 6 10.303 5.871 -3.503
34 HB3 PHE 6 3HB PHE 6 10.131 6.864 -2.060
35 HD1 PHE 6 HD2 PHE 6 11.238 6.931 -5.592
36 HD2 PHE 6 HD1 PHE 6 9.981 9.192 -2.212
37 HE1 PHE 6 HE2 PHE 6 11.075 8.941 -7.001
38 HE2 PHE 6 HE1 PHE 6 9.815 11.206 -3.616
39 HZ PHE 6 HZ PHE 6 10.364 11.082 -6.014
40 H GLU 7 H GLU 7 11.993 4.624 -0.696
41 HA GLU 7 HA GLU 7 11.941 6.500 1.503
42 HB2 GLU 7 2HB GLU 7 11.012 3.879 1.079
43 HB3 GLU 7 3HB GLU 7 12.246 3.753 2.325
44 HG2 GLU 7 2HG GLU 7 10.798 4.461 3.831
45 HG3 GLU 7 3HG GLU 7 10.627 5.982 2.957
46 H GLU 8 H GLU 8 14.247 4.480 -0.102
47 HA GLU 8 HA GLU 8 16.160 4.485 2.048
48 HB2 GLU 8 2HB GLU 8 15.823 2.853 -0.057
49 HB3 GLU 8 3HB GLU 8 17.037 3.932 -0.732
50 HG2 GLU 8 2HG GLU 8 18.265 2.189 0.191
51 HG3 GLU 8 3HG GLU 8 18.373 3.477 1.391
52 HNA MK8 9 H MK8 9 15.519 6.444 -0.878
53 HB MK8 9 2HB MK8 9 15.554 8.185 -2.367
54 HBA MK8 9 3HB MK8 9 16.538 9.628 -2.169
55 HD MK8 9 2HD MK8 9 18.625 9.328 -4.633
56 HDA MK8 9 3HD MK8 9 18.678 9.828 -2.931
57 HE MK8 9 HE MK8 9 20.392 7.811 -2.432
58 HG MK8 9 2HG MK8 9 17.949 7.037 -3.031
59 HGA MK8 9 3HG MK8 9 16.927 7.854 -4.211
60 HB1 MK8 9 HBA MK8 9 19.136 8.614 -1.055
61 HB1A MK8 9 HGA MK8 9 19.017 7.763 0.175
62 HB1B MK8 9 HDA MK8 9 18.995 7.126 -1.182
63 H TYR 10 H TYR 10 14.892 7.998 0.404
64 HA TYR 10 HA TYR 10 14.817 10.593 1.529
65 HB2 TYR 10 2HB TYR 10 12.780 9.318 1.047
66 HB3 TYR 10 3HB TYR 10 13.226 8.125 2.262
67 HD1 TYR 10 HD2 TYR 10 12.407 11.731 1.844
68 HD2 TYR 10 HD1 TYR 10 12.542 8.393 4.479
69 HE1 TYR 10 HE2 TYR 10 11.223 13.042 3.555
70 HE2 TYR 10 HE1 TYR 10 11.356 9.694 6.197
71 HH TYR 10 HH TYR 10 9.697 12.447 5.599
72 H ARG 11 H ARG 11 16.516 7.835 2.430
73 HA ARG 11 HA ARG 11 16.895 8.895 5.153
74 HB2 ARG 11 2HB ARG 11 16.109 6.256 4.305
75 HB3 ARG 11 3HB ARG 11 17.648 6.182 5.153
76 HG2 ARG 11 2HG ARG 11 16.747 6.838 7.140
77 HG3 ARG 11 3HG ARG 11 15.461 7.773 6.374
78 HD2 ARG 11 2HD ARG 11 14.054 6.038 6.389
79 HD3 ARG 11 3HD ARG 11 15.287 4.931 5.786
80 HE ARG 11 HE ARG 11 15.930 5.374 8.418
81 HH11 ARG 11 1HH1 ARG 11 13.169 4.157 6.681
82 HH12 ARG 11 2HH1 ARG 11 12.660 3.110 7.964
83 HH21 ARG 11 1HH2 ARG 11 15.270 3.999 10.114
84 HH22 ARG 11 2HH2 ARG 11 13.855 3.021 9.917
85 H ASN 12 H ASN 12 18.294 8.580 2.225
86 HA ASN 12 HA ASN 12 20.979 8.690 3.383
87 HB2 ASN 12 2HB ASN 12 20.135 6.392 2.183
88 HB3 ASN 12 3HB ASN 12 20.838 7.249 0.814
89 HD21 ASN 12 1HD2 ASN 12 23.043 7.803 0.873
90 HD22 ASN 12 2HD2 ASN 12 24.147 6.973 1.910
91 HNA MK8 13 H MK8 13 19.017 10.700 2.214
92 HB MK8 13 2HB MK8 13 18.795 10.566 -0.793
93 HBA MK8 13 3HB MK8 13 18.455 12.280 -0.983
94 HD MK8 13 2HD MK8 13 22.219 10.633 -1.789
95 HDA MK8 13 3HD MK8 13 20.832 9.583 -1.436
96 HE MK8 13 HE MK8 13 20.687 10.630 -4.226
97 HG MK8 13 2HG MK8 13 19.755 11.723 -2.938
98 HGA MK8 13 3HG MK8 13 20.914 12.530 -1.884
99 HB1 MK8 13 HBA MK8 13 21.982 12.397 1.190
100 HB1A MK8 13 HGA MK8 13 22.028 11.575 -0.064
101 HB1B MK8 13 HDA MK8 13 21.657 13.027 -0.132
102 H TYR 14 H TYR 14 17.675 11.762 1.470
103 HA TYR 14 HA TYR 14 17.223 14.558 1.893
104 HB2 TYR 14 2HB TYR 14 15.590 12.389 1.519
105 HB3 TYR 14 3HB TYR 14 15.400 12.689 3.243
106 HD1 TYR 14 HD2 TYR 14 15.522 14.673 0.070
107 HD2 TYR 14 HD1 TYR 14 13.662 14.069 3.849
108 HE1 TYR 14 HE2 TYR 14 13.936 16.486 -0.427
109 HE2 TYR 14 HE1 TYR 14 12.070 15.879 3.361
110 HH TYR 14 HH TYR 14 11.444 17.039 0.439
111 H THR 15 H THR 15 18.556 12.009 3.745
112 HA THR 15 HA THR 15 18.074 13.342 6.293
113 HB THR 15 HB THR 15 19.510 10.756 5.662
114 HG1 THR 15 HG1 THR 15 17.537 10.041 6.944
115 HG21 THR 15 1HG2 THR 15 20.486 11.577 7.657
116 HG22 THR 15 2HG2 THR 15 19.264 10.412 8.167
117 HG23 THR 15 3HG2 THR 15 18.934 12.141 8.273
118 H MET 16 H MET 16 20.517 13.055 3.882
119 HA MET 16 HA MET 16 22.668 13.890 5.636
120 HB2 MET 16 2HB MET 16 22.860 12.325 3.589
121 HB3 MET 16 3HB MET 16 22.809 13.801 2.634
122 HG2 MET 16 2HG MET 16 25.023 13.796 2.856
123 HG3 MET 16 3HG MET 16 24.714 14.405 4.480
124 HE1 MET 16 3HE MET 16 27.300 13.479 4.357
125 HE2 MET 16 1HE MET 16 27.707 11.800 4.715
126 HE3 MET 16 2HE MET 16 27.254 12.267 3.076
127 H VAL 17 H VAL 17 20.363 15.322 3.493
128 HA VAL 17 HA VAL 17 21.784 17.798 3.141
129 HB VAL 17 HB VAL 17 18.896 17.096 2.601
130 HG11 VAL 17 1HG1 VAL 17 18.995 19.449 2.903
131 HG12 VAL 17 2HG1 VAL 17 20.489 19.572 1.972
132 HG13 VAL 17 3HG1 VAL 17 18.976 19.160 1.164
133 HG21 VAL 17 3HG2 VAL 17 21.184 16.282 1.277
134 HG22 VAL 17 1HG2 VAL 17 19.543 16.278 0.630
135 HG23 VAL 17 2HG2 VAL 17 20.608 17.649 0.323
136 H LEU 18 H LEU 18 19.179 16.617 5.211
137 HA LEU 18 HA LEU 18 18.656 19.160 6.410
138 HB2 LEU 18 2HB LEU 18 17.063 18.086 7.682
139 HB3 LEU 18 3HB LEU 18 17.129 17.084 6.233
140 HG LEU 18 HG LEU 18 18.867 15.729 7.732
141 HD11 LEU 18 1HD1 LEU 18 17.749 15.660 10.057
142 HD12 LEU 18 2HD1 LEU 18 17.170 17.276 9.652
143 HD13 LEU 18 3HD1 LEU 18 18.902 16.948 9.704
144 HD21 LEU 18 3HD2 LEU 18 15.975 15.311 8.339
145 HD22 LEU 18 1HD2 LEU 18 17.228 14.131 7.953
146 HD23 LEU 18 2HD2 LEU 18 16.548 15.143 6.679
147 H HIS 19 H HIS 19 20.793 16.487 7.076
148 HA HIS 19 HA HIS 19 21.424 17.232 9.755
149 HB2 HIS 19 2HB HIS 19 21.853 14.979 9.219
150 HB3 HIS 19 3HB HIS 19 22.707 15.402 7.739
151 HD1 HIS 19 HD1 HIS 19 25.149 16.385 8.045
152 HD2 HIS 19 HD2 HIS 19 23.418 14.801 11.473
153 HE1 HIS 19 HE1 HIS 19 27.042 16.070 9.670
154 H LYS 20 H LYS 20 23.223 17.542 6.692
155 HA LYS 20 HA LYS 20 25.284 19.140 7.821
156 HB2 LYS 20 2HB LYS 20 25.795 17.903 5.849
157 HB3 LYS 20 3HB LYS 20 24.435 18.600 4.978
158 HG2 LYS 20 2HG LYS 20 26.224 20.658 5.912
159 HG3 LYS 20 3HG LYS 20 27.079 19.459 4.939
160 HD2 LYS 20 2HD LYS 20 26.350 20.735 3.223
161 HD3 LYS 20 3HD LYS 20 24.868 19.800 3.435
162 HE2 LYS 20 2HE LYS 20 23.741 21.545 4.367
163 HE3 LYS 20 3HE LYS 20 25.191 22.233 5.097
164 HZ1 LYS 20 3HZ LYS 20 25.341 23.639 3.413
165 HZ2 LYS 20 1HZ LYS 20 23.926 23.006 2.736
166 HZ3 LYS 20 2HZ LYS 20 25.431 22.365 2.304
Start of MODEL 11
1 H1 ASN 1 H ASN 1 4.394 -3.994 -0.409
2 HA ASN 1 HA ASN 1 2.668 -3.909 -1.991
3 HB2 ASN 1 2HB ASN 1 2.730 -1.813 -0.037
4 HB3 ASN 1 3HB ASN 1 1.988 -1.197 -1.510
5 HD21 ASN 1 1HD2 ASN 1 1.948 -4.374 0.062
6 HD22 ASN 1 2HD2 ASN 1 0.227 -4.486 0.174
7 H SER 2 H SER 2 4.965 -1.258 -2.268
8 HA SER 2 HA SER 2 4.405 -1.165 -5.152
9 HB2 SER 2 2HB SER 2 3.762 0.887 -3.369
10 HB3 SER 2 3HB SER 2 5.264 1.413 -4.127
11 HG SER 2 HG SER 2 2.868 0.634 -5.434
12 H GLY 3 H GLY 3 6.660 0.354 -2.835
13 HA2 GLY 3 2HA GLY 3 8.914 -1.087 -3.844
14 HA3 GLY 3 3HA GLY 3 8.857 0.551 -4.478
15 H LEU 4 H LEU 4 10.889 0.871 -3.373
16 HA LEU 4 HA LEU 4 10.511 2.043 -0.789
17 HB2 LEU 4 2HB LEU 4 11.286 -0.663 -0.880
18 HB3 LEU 4 3HB LEU 4 12.723 0.258 -0.442
19 HG LEU 4 HG LEU 4 10.170 0.732 1.035
20 HD11 LEU 4 1HD1 LEU 4 10.089 -1.300 1.910
21 HD12 LEU 4 2HD1 LEU 4 11.763 -1.154 2.444
22 HD13 LEU 4 3HD1 LEU 4 11.401 -1.810 0.848
23 HD21 LEU 4 3HD2 LEU 4 13.031 0.707 1.974
24 HD22 LEU 4 1HD2 LEU 4 11.625 1.383 2.797
25 HD23 LEU 4 2HD2 LEU 4 12.231 2.138 1.323
26 H SER 5 H SER 5 11.483 2.660 -3.527
27 HA SER 5 HA SER 5 14.310 3.196 -3.188
28 HB2 SER 5 2HB SER 5 12.501 4.114 -5.431
29 HB3 SER 5 3HB SER 5 14.261 4.010 -5.452
30 HG SER 5 HG SER 5 14.007 1.720 -5.191
31 H PHE 6 H PHE 6 11.272 4.977 -3.207
32 HA PHE 6 HA PHE 6 12.480 7.559 -3.047
33 HB2 PHE 6 2HB PHE 6 9.983 6.701 -3.656
34 HB3 PHE 6 3HB PHE 6 9.739 7.220 -1.992
35 HD1 PHE 6 HD1 PHE 6 10.570 8.292 -5.388
36 HD2 PHE 6 HD2 PHE 6 9.903 9.543 -1.374
37 HE1 PHE 6 HE1 PHE 6 10.390 10.625 -6.148
38 HE2 PHE 6 HE2 PHE 6 9.721 11.877 -2.129
39 HZ PHE 6 HZ PHE 6 9.964 12.421 -4.518
40 H GLU 7 H GLU 7 11.601 5.113 -0.753
41 HA GLU 7 HA GLU 7 11.712 6.888 1.526
42 HB2 GLU 7 2HB GLU 7 10.780 4.228 1.004
43 HB3 GLU 7 3HB GLU 7 11.903 4.187 2.357
44 HG2 GLU 7 2HG GLU 7 10.036 6.384 2.581
45 HG3 GLU 7 3HG GLU 7 9.215 4.830 2.447
46 H GLU 8 H GLU 8 13.868 4.839 -0.244
47 HA GLU 8 HA GLU 8 15.849 4.662 1.836
48 HB2 GLU 8 2HB GLU 8 15.497 2.969 -0.025
49 HB3 GLU 8 3HB GLU 8 16.258 4.130 -1.104
50 HG2 GLU 8 2HG GLU 8 18.048 3.981 0.962
51 HG3 GLU 8 3HG GLU 8 17.446 2.328 0.850
52 HNA MK8 9 H MK8 9 15.203 6.779 -0.977
53 HB MK8 9 2HB MK8 9 15.269 8.584 -2.387
54 HBA MK8 9 3HB MK8 9 16.326 9.971 -2.160
55 HD MK8 9 2HD MK8 9 18.313 9.691 -4.707
56 HDA MK8 9 3HD MK8 9 18.446 10.109 -2.987
57 HE MK8 9 HE MK8 9 20.080 7.997 -2.639
58 HG MK8 9 2HG MK8 9 17.585 7.361 -3.185
59 HGA MK8 9 3HG MK8 9 16.564 8.277 -4.291
60 HB1 MK8 9 HBA MK8 9 18.909 8.791 -1.183
61 HB1A MK8 9 HGA MK8 9 18.791 7.891 0.011
62 HB1B MK8 9 HDA MK8 9 18.695 7.318 -1.372
63 H TYR 10 H TYR 10 14.691 8.299 0.394
64 HA TYR 10 HA TYR 10 14.774 10.841 1.635
65 HB2 TYR 10 2HB TYR 10 12.665 9.682 1.169
66 HB3 TYR 10 3HB TYR 10 13.095 8.416 2.312
67 HD1 TYR 10 HD1 TYR 10 12.157 11.972 1.994
68 HD2 TYR 10 HD2 TYR 10 12.775 8.711 4.656
69 HE1 TYR 10 HE1 TYR 10 11.090 13.254 3.802
70 HE2 TYR 10 HE2 TYR 10 11.709 9.983 6.471
71 HH TYR 10 HH TYR 10 11.149 12.180 7.097
72 H ARG 11 H ARG 11 16.372 7.971 2.353
73 HA ARG 11 HA ARG 11 16.889 8.888 5.105
74 HB2 ARG 11 2HB ARG 11 16.126 6.243 4.087
75 HB3 ARG 11 3HB ARG 11 17.524 6.219 5.153
76 HG2 ARG 11 2HG ARG 11 15.341 7.856 6.170
77 HG3 ARG 11 3HG ARG 11 14.900 6.163 5.937
78 HD2 ARG 11 2HD ARG 11 16.173 5.482 7.649
79 HD3 ARG 11 3HD ARG 11 17.517 6.521 7.176
80 HE ARG 11 HE ARG 11 15.491 8.116 8.272
81 HH11 ARG 11 1HH1 ARG 11 17.786 5.684 9.241
82 HH12 ARG 11 2HH1 ARG 11 17.919 6.270 10.865
83 HH21 ARG 11 1HH2 ARG 11 15.658 8.898 10.409
84 HH22 ARG 11 2HH2 ARG 11 16.707 8.098 11.529
85 H ASN 12 H ASN 12 18.175 8.645 2.119
86 HA ASN 12 HA ASN 12 20.898 8.582 3.186
87 HB2 ASN 12 2HB ASN 12 19.911 6.381 1.916
88 HB3 ASN 12 3HB ASN 12 20.606 7.267 0.562
89 HD21 ASN 12 1HD2 ASN 12 22.854 7.903 0.736
90 HD22 ASN 12 2HD2 ASN 12 23.945 6.907 1.632
91 HNA MK8 13 H MK8 13 18.994 10.729 2.177
92 HB MK8 13 2HB MK8 13 18.667 10.742 -0.824
93 HBA MK8 13 3HB MK8 13 18.400 12.477 -0.926
94 HD MK8 13 2HD MK8 13 22.056 10.701 -1.935
95 HDA MK8 13 3HD MK8 13 20.634 9.700 -1.581
96 HE MK8 13 HE MK8 13 20.446 10.879 -4.316
97 HG MK8 13 2HG MK8 13 19.609 11.952 -2.949
98 HGA MK8 13 3HG MK8 13 20.838 12.657 -1.901
99 HB1 MK8 13 HBA MK8 13 21.999 12.337 1.125
100 HB1A MK8 13 HGA MK8 13 21.965 11.572 -0.165
101 HB1B MK8 13 HDA MK8 13 21.660 13.040 -0.156
102 H TYR 14 H TYR 14 17.679 11.882 1.527
103 HA TYR 14 HA TYR 14 17.371 14.674 2.089
104 HB2 TYR 14 2HB TYR 14 15.628 12.599 1.677
105 HB3 TYR 14 3HB TYR 14 15.509 12.829 3.418
106 HD1 TYR 14 HD1 TYR 14 15.617 14.947 0.333
107 HD2 TYR 14 HD2 TYR 14 13.861 14.259 4.146
108 HE1 TYR 14 HE1 TYR 14 14.101 16.849 -0.029
109 HE2 TYR 14 HE2 TYR 14 12.339 16.159 3.794
110 HH TYR 14 HH TYR 14 12.794 18.479 1.509
111 H THR 15 H THR 15 18.645 11.986 3.779
112 HA THR 15 HA THR 15 18.309 13.220 6.399
113 HB THR 15 HB THR 15 19.603 10.605 5.604
114 HG1 THR 15 HG1 THR 15 17.668 9.851 6.827
115 HG21 THR 15 1HG2 THR 15 20.670 10.911 7.584
116 HG22 THR 15 2HG2 THR 15 19.130 10.351 8.238
117 HG23 THR 15 3HG2 THR 15 19.483 12.077 8.166
118 H MET 16 H MET 16 20.656 12.935 3.894
119 HA MET 16 HA MET 16 22.900 13.593 5.606
120 HB2 MET 16 2HB MET 16 22.951 12.116 3.486
121 HB3 MET 16 3HB MET 16 22.939 13.635 2.600
122 HG2 MET 16 2HG MET 16 25.042 14.223 3.304
123 HG3 MET 16 3HG MET 16 24.951 13.228 4.755
124 HE1 MET 16 3HE MET 16 27.687 12.370 1.768
125 HE2 MET 16 1HE MET 16 26.336 13.073 0.879
126 HE3 MET 16 2HE MET 16 26.938 13.863 2.336
127 H VAL 17 H VAL 17 20.594 15.223 3.610
128 HA VAL 17 HA VAL 17 22.116 17.645 3.319
129 HB VAL 17 HB VAL 17 19.182 17.099 2.850
130 HG11 VAL 17 1HG1 VAL 17 19.658 19.254 1.355
131 HG12 VAL 17 2HG1 VAL 17 19.104 19.363 3.027
132 HG13 VAL 17 3HG1 VAL 17 20.816 19.562 2.649
133 HG21 VAL 17 3HG2 VAL 17 20.966 17.663 0.589
134 HG22 VAL 17 1HG2 VAL 17 21.294 16.148 1.430
135 HG23 VAL 17 2HG2 VAL 17 19.693 16.454 0.757
136 H LEU 18 H LEU 18 19.529 16.490 5.425
137 HA LEU 18 HA LEU 18 19.163 18.996 6.752
138 HB2 LEU 18 2HB LEU 18 17.566 17.936 8.031
139 HB3 LEU 18 3HB LEU 18 17.537 17.000 6.538
140 HG LEU 18 HG LEU 18 19.259 15.502 7.913
141 HD11 LEU 18 1HD1 LEU 18 17.450 16.152 10.157
142 HD12 LEU 18 2HD1 LEU 18 18.760 17.288 9.838
143 HD13 LEU 18 3HD1 LEU 18 19.123 15.594 10.167
144 HD21 LEU 18 3HD2 LEU 18 16.371 15.189 8.599
145 HD22 LEU 18 1HD2 LEU 18 17.554 13.970 8.124
146 HD23 LEU 18 2HD2 LEU 18 16.884 15.067 6.916
147 H HIS 19 H HIS 19 21.195 16.202 7.224
148 HA HIS 19 HA HIS 19 21.948 16.794 9.910
149 HB2 HIS 19 2HB HIS 19 22.254 14.551 9.260
150 HB3 HIS 19 3HB HIS 19 23.078 15.003 7.771
151 HD1 HIS 19 HD1 HIS 19 25.572 15.860 8.035
152 HD2 HIS 19 HD2 HIS 19 23.883 14.201 11.449
153 HE1 HIS 19 HE1 HIS 19 27.501 15.387 9.577
154 H LYS 20 H LYS 20 23.656 17.165 6.802
155 HA LYS 20 HA LYS 20 25.826 18.615 7.928
156 HB2 LYS 20 2HB LYS 20 26.214 17.447 5.887
157 HB3 LYS 20 3HB LYS 20 24.860 18.243 5.095
158 HG2 LYS 20 2HG LYS 20 26.772 20.174 6.056
159 HG3 LYS 20 3HG LYS 20 27.538 18.983 5.003
160 HD2 LYS 20 2HD LYS 20 26.815 20.366 3.370
161 HD3 LYS 20 3HD LYS 20 25.298 19.492 3.593
162 HE2 LYS 20 2HE LYS 20 24.292 21.238 4.665
163 HE3 LYS 20 3HE LYS 20 25.807 21.844 5.332
164 HZ1 LYS 20 3HZ LYS 20 25.137 23.394 3.722
165 HZ2 LYS 20 1HZ LYS 20 24.754 22.199 2.587
166 HZ3 LYS 20 2HZ LYS 20 26.370 22.505 2.981
Start of MODEL 12
1 H1 ASN 1 H ASN 1 7.783 -6.832 -3.867
2 HA ASN 1 HA ASN 1 9.583 -4.776 -3.975
3 HB2 ASN 1 2HB ASN 1 10.056 -6.196 -6.220
4 HB3 ASN 1 3HB ASN 1 8.812 -5.102 -6.818
5 HD21 ASN 1 1HD2 ASN 1 12.043 -5.504 -6.447
6 HD22 ASN 1 2HD2 ASN 1 12.552 -3.854 -6.510
7 H SER 2 H SER 2 8.338 -3.137 -3.389
8 HA SER 2 HA SER 2 5.739 -2.783 -4.720
9 HB2 SER 2 2HB SER 2 6.083 -3.540 -2.038
10 HB3 SER 2 3HB SER 2 5.670 -1.826 -1.990
11 HG SER 2 HG SER 2 4.151 -4.002 -2.788
12 H GLY 3 H GLY 3 8.217 -1.255 -2.677
13 HA2 GLY 3 2HA GLY 3 8.677 0.940 -4.292
14 HA3 GLY 3 3HA GLY 3 7.361 1.407 -3.225
15 H LEU 4 H LEU 4 7.894 2.281 -1.336
16 HA LEU 4 HA LEU 4 9.122 3.006 0.434
17 HB2 LEU 4 2HB LEU 4 9.560 0.237 0.224
18 HB3 LEU 4 3HB LEU 4 11.133 0.962 0.548
19 HG LEU 4 HG LEU 4 9.655 2.195 2.433
20 HD11 LEU 4 1HD1 LEU 4 7.732 0.647 1.554
21 HD12 LEU 4 2HD1 LEU 4 7.937 0.939 3.281
22 HD13 LEU 4 3HD1 LEU 4 8.529 -0.559 2.564
23 HD21 LEU 4 3HD2 LEU 4 11.712 1.112 2.925
24 HD22 LEU 4 1HD2 LEU 4 11.042 -0.476 2.547
25 HD23 LEU 4 2HD2 LEU 4 10.491 0.397 3.978
26 H SER 5 H SER 5 9.967 3.565 -2.375
27 HA SER 5 HA SER 5 12.854 3.834 -2.163
28 HB2 SER 5 2HB SER 5 12.258 5.123 -4.461
29 HB3 SER 5 3HB SER 5 12.463 3.374 -4.361
30 HG SER 5 HG SER 5 10.428 3.145 -4.809
31 H PHE 6 H PHE 6 9.991 5.741 -1.766
32 HA PHE 6 HA PHE 6 11.364 8.276 -1.892
33 HB2 PHE 6 2HB PHE 6 8.666 7.410 -1.981
34 HB3 PHE 6 3HB PHE 6 8.819 8.480 -0.592
35 HD1 PHE 6 HD1 PHE 6 9.468 8.248 -4.233
36 HD2 PHE 6 HD2 PHE 6 8.895 10.795 -0.871
37 HE1 PHE 6 HE1 PHE 6 9.361 10.197 -5.732
38 HE2 PHE 6 HE2 PHE 6 8.786 12.747 -2.364
39 HZ PHE 6 HZ PHE 6 9.019 12.450 -4.798
40 H GLU 7 H GLU 7 10.563 5.927 0.514
41 HA GLU 7 HA GLU 7 10.985 7.747 2.731
42 HB2 GLU 7 2HB GLU 7 9.938 5.043 2.372
43 HB3 GLU 7 3HB GLU 7 10.978 5.192 3.781
44 HG2 GLU 7 2HG GLU 7 9.608 7.031 4.608
45 HG3 GLU 7 3HG GLU 7 8.571 6.899 3.189
46 H GLU 8 H GLU 8 12.779 5.426 0.878
47 HA GLU 8 HA GLU 8 14.918 5.179 2.795
48 HB2 GLU 8 2HB GLU 8 15.959 3.734 1.236
49 HB3 GLU 8 3HB GLU 8 14.238 3.397 1.125
50 HG2 GLU 8 2HG GLU 8 14.083 4.751 -0.887
51 HG3 GLU 8 3HG GLU 8 15.798 5.140 -0.769
52 HNA MK8 9 H MK8 9 14.184 7.181 -0.070
53 HB MK8 9 2HB MK8 9 14.276 8.876 -1.608
54 HBA MK8 9 3HB MK8 9 15.484 10.154 -1.591
55 HD MK8 9 2HD MK8 9 17.141 9.515 -4.304
56 HDA MK8 9 3HD MK8 9 17.503 10.016 -2.641
57 HE MK8 9 HE MK8 9 18.948 7.767 -2.317
58 HG MK8 9 2HG MK8 9 16.355 7.369 -2.558
59 HGA MK8 9 3HG MK8 9 15.314 8.324 -3.612
60 HB1 MK8 9 HBA MK8 9 18.030 8.763 -0.812
61 HB1A MK8 9 HGA MK8 9 17.957 7.955 0.449
62 HB1B MK8 9 HDA MK8 9 17.650 7.314 -0.871
63 H TYR 10 H TYR 10 13.978 8.835 1.216
64 HA TYR 10 HA TYR 10 14.456 11.417 2.263
65 HB2 TYR 10 2HB TYR 10 12.202 10.485 2.105
66 HB3 TYR 10 3HB TYR 10 12.622 9.228 3.264
67 HD1 TYR 10 HD1 TYR 10 12.611 12.958 2.993
68 HD2 TYR 10 HD2 TYR 10 12.022 9.549 5.470
69 HE1 TYR 10 HE1 TYR 10 11.896 14.425 4.832
70 HE2 TYR 10 HE2 TYR 10 11.304 11.007 7.316
71 HH TYR 10 HH TYR 10 11.719 14.400 7.245
72 H ARG 11 H ARG 11 15.804 8.426 3.028
73 HA ARG 11 HA ARG 11 16.719 9.450 5.635
74 HB2 ARG 11 2HB ARG 11 15.173 7.268 5.389
75 HB3 ARG 11 3HB ARG 11 16.748 6.523 5.153
76 HG2 ARG 11 2HG ARG 11 17.421 6.933 7.296
77 HG3 ARG 11 3HG ARG 11 16.383 8.350 7.467
78 HD2 ARG 11 2HD ARG 11 15.363 6.758 8.827
79 HD3 ARG 11 3HD ARG 11 14.434 6.679 7.330
80 HE ARG 11 HE ARG 11 16.403 4.790 7.055
81 HH11 ARG 11 1HH1 ARG 11 13.840 5.418 9.326
82 HH12 ARG 11 2HH1 ARG 11 13.610 3.748 9.728
83 HH21 ARG 11 1HH2 ARG 11 16.110 2.589 7.575
84 HH22 ARG 11 2HH2 ARG 11 14.902 2.140 8.731
85 H ASN 12 H ASN 12 17.642 8.904 2.561
86 HA ASN 12 HA ASN 12 20.443 8.600 3.345
87 HB2 ASN 12 2HB ASN 12 19.095 6.451 2.335
88 HB3 ASN 12 3HB ASN 12 19.745 7.171 0.865
89 HD21 ASN 12 1HD2 ASN 12 21.657 6.462 0.291
90 HD22 ASN 12 2HD2 ASN 12 22.871 5.825 1.343
91 HNA MK8 13 H MK8 13 18.676 10.881 2.388
92 HB MK8 13 2HB MK8 13 18.026 10.745 -0.560
93 HBA MK8 13 3HB MK8 13 17.923 12.489 -0.754
94 HD MK8 13 2HD MK8 13 21.250 10.278 -2.012
95 HDA MK8 13 3HD MK8 13 19.783 9.457 -1.444
96 HE MK8 13 HE MK8 13 19.414 10.490 -4.219
97 HG MK8 13 2HG MK8 13 18.845 11.724 -2.849
98 HGA MK8 13 3HG MK8 13 20.246 12.352 -1.985
99 HB1 MK8 13 HBA MK8 13 21.695 12.080 0.920
100 HB1A MK8 13 HGA MK8 13 21.441 11.248 -0.302
101 HB1B MK8 13 HDA MK8 13 21.292 12.739 -0.366
102 H TYR 14 H TYR 14 17.422 12.128 1.795
103 HA TYR 14 HA TYR 14 17.467 14.966 2.185
104 HB2 TYR 14 2HB TYR 14 15.484 13.075 2.100
105 HB3 TYR 14 3HB TYR 14 15.577 13.424 3.822
106 HD1 TYR 14 HD2 TYR 14 15.575 15.323 0.596
107 HD2 TYR 14 HD1 TYR 14 14.170 15.068 4.603
108 HE1 TYR 14 HE2 TYR 14 14.236 17.356 0.249
109 HE2 TYR 14 HE1 TYR 14 12.825 17.100 4.268
110 HH TYR 14 HH TYR 14 13.268 19.202 1.751
111 H THR 15 H THR 15 18.631 12.259 3.921
112 HA THR 15 HA THR 15 18.709 13.674 6.469
113 HB THR 15 HB THR 15 19.634 10.891 5.733
114 HG1 THR 15 HG1 THR 15 17.319 11.935 7.001
115 HG21 THR 15 1HG2 THR 15 19.690 12.412 8.323
116 HG22 THR 15 2HG2 THR 15 20.983 11.493 7.553
117 HG23 THR 15 3HG2 THR 15 19.621 10.650 8.291
118 H MET 16 H MET 16 20.730 12.988 3.766
119 HA MET 16 HA MET 16 23.201 13.494 5.193
120 HB2 MET 16 2HB MET 16 22.869 11.900 3.185
121 HB3 MET 16 3HB MET 16 22.921 13.358 2.203
122 HG2 MET 16 2HG MET 16 25.111 13.167 4.119
123 HG3 MET 16 3HG MET 16 25.075 11.851 2.947
124 HE1 MET 16 3HE MET 16 26.211 11.863 1.011
125 HE2 MET 16 1HE MET 16 24.919 12.579 0.047
126 HE3 MET 16 2HE MET 16 26.564 13.200 -0.085
127 H VAL 17 H VAL 17 20.873 15.248 3.331
128 HA VAL 17 HA VAL 17 22.596 17.468 2.720
129 HB VAL 17 HB VAL 17 19.587 17.221 2.592
130 HG11 VAL 17 1HG1 VAL 17 19.730 19.478 2.586
131 HG12 VAL 17 2HG1 VAL 17 21.426 19.480 2.096
132 HG13 VAL 17 3HG1 VAL 17 20.159 19.219 0.896
133 HG21 VAL 17 3HG2 VAL 17 21.396 15.941 1.040
134 HG22 VAL 17 1HG2 VAL 17 19.793 16.432 0.492
135 HG23 VAL 17 2HG2 VAL 17 21.194 17.442 0.136
136 H LEU 18 H LEU 18 20.146 16.729 5.152
137 HA LEU 18 HA LEU 18 20.187 19.332 6.333
138 HB2 LEU 18 2HB LEU 18 18.638 18.531 7.839
139 HB3 LEU 18 3HB LEU 18 18.350 17.519 6.425
140 HG LEU 18 HG LEU 18 20.048 15.923 7.717
141 HD11 LEU 18 1HD1 LEU 18 20.542 16.728 9.738
142 HD12 LEU 18 2HD1 LEU 18 18.900 16.267 10.185
143 HD13 LEU 18 3HD1 LEU 18 19.244 17.921 9.679
144 HD21 LEU 18 3HD2 LEU 18 18.228 14.602 8.207
145 HD22 LEU 18 1HD2 LEU 18 17.548 15.694 7.001
146 HD23 LEU 18 2HD2 LEU 18 17.235 15.969 8.715
147 H HIS 19 H HIS 19 21.959 16.365 6.790
148 HA HIS 19 HA HIS 19 23.058 17.030 9.336
149 HB2 HIS 19 2HB HIS 19 23.057 14.731 8.821
150 HB3 HIS 19 3HB HIS 19 23.755 14.999 7.226
151 HD1 HIS 19 HD1 HIS 19 26.338 15.589 7.172
152 HD2 HIS 19 HD2 HIS 19 24.870 14.335 10.850
153 HE1 HIS 19 HE1 HIS 19 28.365 14.999 8.538
154 H LYS 20 H LYS 20 24.437 17.032 6.048
155 HA LYS 20 HA LYS 20 26.855 18.303 6.848
156 HB2 LYS 20 2HB LYS 20 26.865 16.945 4.869
157 HB3 LYS 20 3HB LYS 20 25.574 17.894 4.144
158 HG2 LYS 20 2HG LYS 20 27.744 19.629 4.782
159 HG3 LYS 20 3HG LYS 20 28.358 18.240 3.883
160 HD2 LYS 20 2HD LYS 20 27.774 19.781 2.224
161 HD3 LYS 20 3HD LYS 20 26.406 18.667 2.273
162 HE2 LYS 20 2HE LYS 20 25.649 20.982 2.152
163 HE3 LYS 20 3HE LYS 20 25.172 20.238 3.678
164 HZ1 LYS 20 3HZ LYS 20 27.675 21.428 4.035
165 HZ2 LYS 20 1HZ LYS 20 26.201 21.862 4.743
166 HZ3 LYS 20 2HZ LYS 20 26.676 22.565 3.280
Start of MODEL 13
1 H1 ASN 1 H ASN 1 10.266 -3.243 -8.323
2 HA ASN 1 HA ASN 1 8.452 -1.916 -7.881
3 HB2 ASN 1 2HB ASN 1 6.274 -3.062 -8.352
4 HB3 ASN 1 3HB ASN 1 7.503 -3.328 -9.585
5 HD21 ASN 1 1HD2 ASN 1 6.822 -5.245 -10.360
6 HD22 ASN 1 2HD2 ASN 1 6.750 -6.700 -9.431
7 H SER 2 H SER 2 9.635 -2.563 -5.519
8 HA SER 2 HA SER 2 7.493 -3.422 -3.714
9 HB2 SER 2 2HB SER 2 10.377 -3.634 -3.691
10 HB3 SER 2 3HB SER 2 9.799 -2.873 -2.208
11 HG SER 2 HG SER 2 9.465 -4.887 -1.659
12 H GLY 3 H GLY 3 9.417 -0.648 -4.603
13 HA2 GLY 3 2HA GLY 3 8.816 1.588 -4.259
14 HA3 GLY 3 3HA GLY 3 7.621 1.063 -3.082
15 H LEU 4 H LEU 4 8.173 2.412 -1.427
16 HA LEU 4 HA LEU 4 9.303 3.172 0.394
17 HB2 LEU 4 2HB LEU 4 11.108 0.792 0.052
18 HB3 LEU 4 3HB LEU 4 10.755 1.678 1.534
19 HG LEU 4 HG LEU 4 8.286 0.710 0.645
20 HD11 LEU 4 1HD1 LEU 4 8.531 -1.546 0.144
21 HD12 LEU 4 2HD1 LEU 4 10.207 -1.588 0.691
22 HD13 LEU 4 3HD1 LEU 4 9.793 -0.775 -0.818
23 HD21 LEU 4 3HD2 LEU 4 9.872 -0.759 2.691
24 HD22 LEU 4 1HD2 LEU 4 8.193 -0.220 2.733
25 HD23 LEU 4 2HD2 LEU 4 9.498 0.942 2.971
26 H SER 5 H SER 5 10.196 3.831 -2.372
27 HA SER 5 HA SER 5 13.058 4.232 -2.092
28 HB2 SER 5 2HB SER 5 13.088 4.768 -4.349
29 HB3 SER 5 3HB SER 5 11.707 3.674 -4.276
30 HG SER 5 HG SER 5 11.770 6.235 -5.039
31 H PHE 6 H PHE 6 10.130 5.957 -1.561
32 HA PHE 6 HA PHE 6 11.349 8.575 -1.645
33 HB2 PHE 6 2HB PHE 6 9.120 9.334 -0.789
34 HB3 PHE 6 3HB PHE 6 9.038 8.427 -2.296
35 HD1 PHE 6 HD1 PHE 6 8.475 8.237 1.344
36 HD2 PHE 6 HD2 PHE 6 7.845 6.395 -2.441
37 HE1 PHE 6 HE1 PHE 6 6.856 6.694 2.369
38 HE2 PHE 6 HE2 PHE 6 6.224 4.849 -1.423
39 HZ PHE 6 HZ PHE 6 5.727 4.998 0.985
40 H GLU 7 H GLU 7 10.616 6.136 0.727
41 HA GLU 7 HA GLU 7 11.086 7.906 2.971
42 HB2 GLU 7 2HB GLU 7 9.428 6.042 3.063
43 HB3 GLU 7 3HB GLU 7 10.762 4.902 2.955
44 HG2 GLU 7 2HG GLU 7 11.599 5.524 5.067
45 HG3 GLU 7 3HG GLU 7 10.572 6.955 5.135
46 H GLU 8 H GLU 8 12.868 5.684 1.006
47 HA GLU 8 HA GLU 8 15.047 5.401 2.883
48 HB2 GLU 8 2HB GLU 8 16.062 3.987 1.279
49 HB3 GLU 8 3HB GLU 8 14.341 3.638 1.203
50 HG2 GLU 8 2HG GLU 8 14.705 3.801 -1.008
51 HG3 GLU 8 3HG GLU 8 14.480 5.520 -0.689
52 HNA MK8 9 H MK8 9 14.226 7.444 0.074
53 HB MK8 9 2HB MK8 9 14.271 9.161 -1.443
54 HBA MK8 9 3HB MK8 9 15.469 10.448 -1.435
55 HD MK8 9 2HD MK8 9 17.066 9.861 -4.196
56 HDA MK8 9 3HD MK8 9 17.463 10.342 -2.535
57 HE MK8 9 HE MK8 9 18.932 8.100 -2.277
58 HG MK8 9 2HG MK8 9 16.337 7.685 -2.463
59 HGA MK8 9 3HG MK8 9 15.265 8.646 -3.479
60 HB1 MK8 9 HBA MK8 9 18.042 9.066 -0.738
61 HB1A MK8 9 HGA MK8 9 18.007 8.241 0.514
62 HB1B MK8 9 HDA MK8 9 17.673 7.614 -0.807
63 H TYR 10 H TYR 10 14.037 9.078 1.383
64 HA TYR 10 HA TYR 10 14.520 11.647 2.459
65 HB2 TYR 10 2HB TYR 10 12.270 10.703 2.339
66 HB3 TYR 10 3HB TYR 10 12.725 9.428 3.465
67 HD1 TYR 10 HD1 TYR 10 12.190 13.078 3.148
68 HD2 TYR 10 HD2 TYR 10 12.668 9.788 5.804
69 HE1 TYR 10 HE1 TYR 10 11.507 14.506 5.030
70 HE2 TYR 10 HE2 TYR 10 11.984 11.207 7.693
71 HH TYR 10 HH TYR 10 10.749 14.439 7.212
72 H ARG 11 H ARG 11 15.904 8.654 3.150
73 HA ARG 11 HA ARG 11 16.872 9.648 5.749
74 HB2 ARG 11 2HB ARG 11 15.725 7.056 5.002
75 HB3 ARG 11 3HB ARG 11 17.252 6.928 5.864
76 HG2 ARG 11 2HG ARG 11 16.220 8.511 7.578
77 HG3 ARG 11 3HG ARG 11 14.681 8.159 6.789
78 HD2 ARG 11 2HD ARG 11 16.466 5.924 7.658
79 HD3 ARG 11 3HD ARG 11 15.444 6.745 8.837
80 HE ARG 11 HE ARG 11 13.745 6.115 6.804
81 HH11 ARG 11 1HH1 ARG 11 15.957 4.309 8.794
82 HH12 ARG 11 2HH1 ARG 11 15.029 2.847 8.726
83 HH21 ARG 11 1HH2 ARG 11 12.515 4.197 6.706
84 HH22 ARG 11 2HH2 ARG 11 13.072 2.784 7.537
85 H ASN 12 H ASN 12 17.729 9.156 2.648
86 HA ASN 12 HA ASN 12 20.550 8.860 3.363
87 HB2 ASN 12 2HB ASN 12 19.193 6.716 2.351
88 HB3 ASN 12 3HB ASN 12 19.807 7.462 0.879
89 HD21 ASN 12 1HD2 ASN 12 20.468 4.982 2.527
90 HD22 ASN 12 2HD2 ASN 12 22.189 5.033 2.664
91 HNA MK8 13 H MK8 13 18.745 11.142 2.481
92 HB MK8 13 2HB MK8 13 18.030 11.043 -0.454
93 HBA MK8 13 3HB MK8 13 17.908 12.789 -0.619
94 HD MK8 13 2HD MK8 13 21.222 10.625 -1.987
95 HDA MK8 13 3HD MK8 13 19.775 9.783 -1.398
96 HE MK8 13 HE MK8 13 19.332 10.855 -4.147
97 HG MK8 13 2HG MK8 13 18.787 12.064 -2.746
98 HGA MK8 13 3HG MK8 13 20.203 12.690 -1.905
99 HB1 MK8 13 HBA MK8 13 21.721 12.385 0.961
100 HB1A MK8 13 HGA MK8 13 21.445 11.568 -0.266
101 HB1B MK8 13 HDA MK8 13 21.283 13.059 -0.305
102 H TYR 14 H TYR 14 17.469 12.388 1.934
103 HA TYR 14 HA TYR 14 17.503 15.220 2.366
104 HB2 TYR 14 2HB TYR 14 15.532 13.316 2.297
105 HB3 TYR 14 3HB TYR 14 15.661 13.642 4.022
106 HD1 TYR 14 HD2 TYR 14 15.573 15.584 0.823
107 HD2 TYR 14 HD1 TYR 14 14.261 15.265 4.858
108 HE1 TYR 14 HE2 TYR 14 14.212 17.613 0.535
109 HE2 TYR 14 HE1 TYR 14 12.896 17.292 4.581
110 HH TYR 14 HH TYR 14 11.934 18.655 2.948
111 H THR 15 H THR 15 18.725 12.497 4.034
112 HA THR 15 HA THR 15 18.853 13.877 6.600
113 HB THR 15 HB THR 15 19.775 11.108 5.808
114 HG1 THR 15 HG1 THR 15 17.935 10.718 7.418
115 HG21 THR 15 1HG2 THR 15 19.997 12.662 8.346
116 HG22 THR 15 2HG2 THR 15 21.139 11.537 7.611
117 HG23 THR 15 3HG2 THR 15 19.703 10.925 8.431
118 H MET 16 H MET 16 20.811 13.245 3.841
119 HA MET 16 HA MET 16 23.313 13.740 5.219
120 HB2 MET 16 2HB MET 16 22.944 12.168 3.201
121 HB3 MET 16 3HB MET 16 22.966 13.637 2.235
122 HG2 MET 16 2HG MET 16 25.203 13.624 4.017
123 HG3 MET 16 3HG MET 16 25.147 12.112 3.115
124 HE1 MET 16 3HE MET 16 26.169 11.719 1.323
125 HE2 MET 16 1HE MET 16 25.239 12.357 -0.033
126 HE3 MET 16 2HE MET 16 26.931 12.812 0.166
127 H VAL 17 H VAL 17 20.935 15.506 3.437
128 HA VAL 17 HA VAL 17 22.635 17.741 2.814
129 HB VAL 17 HB VAL 17 19.626 17.479 2.741
130 HG11 VAL 17 1HG1 VAL 17 21.465 19.712 1.945
131 HG12 VAL 17 2HG1 VAL 17 19.882 19.508 1.193
132 HG13 VAL 17 3HG1 VAL 17 20.004 19.777 2.932
133 HG21 VAL 17 3HG2 VAL 17 21.489 16.294 1.114
134 HG22 VAL 17 1HG2 VAL 17 19.814 16.634 0.677
135 HG23 VAL 17 2HG2 VAL 17 21.090 17.767 0.231
136 H LEU 18 H LEU 18 20.244 16.956 5.288
137 HA LEU 18 HA LEU 18 20.285 19.545 6.498
138 HB2 LEU 18 2HB LEU 18 18.783 18.708 8.033
139 HB3 LEU 18 3HB LEU 18 18.473 17.709 6.614
140 HG LEU 18 HG LEU 18 20.216 16.115 7.841
141 HD11 LEU 18 1HD1 LEU 18 19.290 18.017 9.903
142 HD12 LEU 18 2HD1 LEU 18 20.780 17.079 9.806
143 HD13 LEU 18 3HD1 LEU 18 19.287 16.308 10.340
144 HD21 LEU 18 3HD2 LEU 18 17.433 16.127 8.920
145 HD22 LEU 18 1HD2 LEU 18 18.422 14.774 8.372
146 HD23 LEU 18 2HD2 LEU 18 17.699 15.871 7.194
147 H HIS 19 H HIS 19 22.086 16.582 6.900
148 HA HIS 19 HA HIS 19 23.235 17.212 9.422
149 HB2 HIS 19 2HB HIS 19 23.293 14.933 8.848
150 HB3 HIS 19 3HB HIS 19 23.930 15.263 7.239
151 HD1 HIS 19 HD1 HIS 19 26.492 15.922 7.112
152 HD2 HIS 19 HD2 HIS 19 25.186 14.537 10.805
153 HE1 HIS 19 HE1 HIS 19 28.580 15.354 8.394
154 H LYS 20 H LYS 20 24.614 17.284 6.132
155 HA LYS 20 HA LYS 20 27.015 18.555 6.875
156 HB2 LYS 20 2HB LYS 20 26.964 17.408 4.795
157 HB3 LYS 20 3HB LYS 20 25.564 18.318 4.244
158 HG2 LYS 20 2HG LYS 20 26.969 20.361 4.211
159 HG3 LYS 20 3HG LYS 20 28.363 19.359 4.620
160 HD2 LYS 20 2HD LYS 20 28.288 19.749 2.227
161 HD3 LYS 20 3HD LYS 20 27.991 18.043 2.571
162 HE2 LYS 20 2HE LYS 20 26.041 18.141 1.513
163 HE3 LYS 20 3HE LYS 20 25.502 19.444 2.571
164 HZ1 LYS 20 3HZ LYS 20 27.346 20.343 0.576
165 HZ2 LYS 20 1HZ LYS 20 25.812 20.938 0.972
166 HZ3 LYS 20 2HZ LYS 20 25.965 19.643 -0.105
Start of MODEL 14
1 H1 ASN 1 H ASN 1 9.539 -6.203 -5.813
2 HA ASN 1 HA ASN 1 10.804 -3.835 -4.733
3 HB2 ASN 1 2HB ASN 1 11.782 -4.664 -7.122
4 HB3 ASN 1 3HB ASN 1 10.442 -3.658 -7.663
5 HD21 ASN 1 1HD2 ASN 1 10.553 -1.473 -7.439
6 HD22 ASN 1 2HD2 ASN 1 11.964 -0.641 -6.891
7 H SER 2 H SER 2 9.027 -2.994 -3.830
8 HA SER 2 HA SER 2 6.629 -2.705 -5.520
9 HB2 SER 2 2HB SER 2 6.705 -4.091 -3.210
10 HB3 SER 2 3HB SER 2 6.347 -2.486 -2.574
11 HG SER 2 HG SER 2 4.376 -2.848 -3.171
12 H GLY 3 H GLY 3 8.319 -1.196 -2.763
13 HA2 GLY 3 2HA GLY 3 8.286 1.381 -3.992
14 HA3 GLY 3 3HA GLY 3 7.054 1.253 -2.746
15 H LEU 4 H LEU 4 7.768 2.350 -1.038
16 HA LEU 4 HA LEU 4 9.067 3.030 0.699
17 HB2 LEU 4 2HB LEU 4 10.611 0.492 0.200
18 HB3 LEU 4 3HB LEU 4 10.567 1.430 1.691
19 HG LEU 4 HG LEU 4 7.908 0.751 1.190
20 HD11 LEU 4 1HD1 LEU 4 9.790 -1.454 0.438
21 HD12 LEU 4 2HD1 LEU 4 8.319 -0.919 -0.374
22 HD13 LEU 4 3HD1 LEU 4 8.214 -1.801 1.149
23 HD21 LEU 4 3HD2 LEU 4 10.019 -0.279 3.062
24 HD22 LEU 4 1HD2 LEU 4 8.347 -0.837 3.134
25 HD23 LEU 4 2HD2 LEU 4 8.719 0.869 3.389
26 H SER 5 H SER 5 9.836 3.594 -2.147
27 HA SER 5 HA SER 5 12.729 3.853 -1.999
28 HB2 SER 5 2HB SER 5 10.832 4.761 -4.177
29 HB3 SER 5 3HB SER 5 12.589 4.661 -4.293
30 HG SER 5 HG SER 5 10.720 2.550 -4.071
31 H PHE 6 H PHE 6 9.851 5.843 -1.809
32 HA PHE 6 HA PHE 6 11.217 8.346 -1.914
33 HB2 PHE 6 2HB PHE 6 8.447 7.433 -1.343
34 HB3 PHE 6 3HB PHE 6 8.913 9.010 -0.714
35 HD1 PHE 6 HD2 PHE 6 8.664 6.999 -3.809
36 HD2 PHE 6 HD1 PHE 6 9.018 10.886 -2.112
37 HE1 PHE 6 HE2 PHE 6 8.244 7.998 -6.018
38 HE2 PHE 6 HE1 PHE 6 8.598 11.891 -4.319
39 HZ PHE 6 HZ PHE 6 8.211 10.447 -6.275
40 H GLU 7 H GLU 7 10.139 6.208 0.669
41 HA GLU 7 HA GLU 7 10.764 8.017 2.786
42 HB2 GLU 7 2HB GLU 7 10.263 6.225 4.266
43 HB3 GLU 7 3HB GLU 7 9.136 6.095 2.924
44 HG2 GLU 7 2HG GLU 7 9.730 3.943 2.928
45 HG3 GLU 7 3HG GLU 7 11.149 4.512 2.052
46 H GLU 8 H GLU 8 12.562 5.729 0.915
47 HA GLU 8 HA GLU 8 14.742 5.508 2.785
48 HB2 GLU 8 2HB GLU 8 13.900 4.139 0.454
49 HB3 GLU 8 3HB GLU 8 15.505 4.776 0.120
50 HG2 GLU 8 2HG GLU 8 15.449 3.615 2.736
51 HG3 GLU 8 3HG GLU 8 14.829 2.465 1.552
52 HNA MK8 9 H MK8 9 13.931 7.515 -0.060
53 HB MK8 9 2HB MK8 9 14.061 9.149 -1.703
54 HBA MK8 9 3HB MK8 9 15.256 10.439 -1.703
55 HD MK8 9 2HD MK8 9 17.011 9.651 -4.312
56 HDA MK8 9 3HD MK8 9 17.291 10.292 -2.681
57 HE MK8 9 HE MK8 9 18.695 7.993 -2.143
58 HG MK8 9 2HG MK8 9 16.228 7.621 -2.431
59 HGA MK8 9 3HG MK8 9 15.200 8.452 -3.597
60 HB1 MK8 9 HBA MK8 9 17.749 9.202 -0.738
61 HB1A MK8 9 HGA MK8 9 17.660 8.578 0.623
62 HB1B MK8 9 HDA MK8 9 17.465 7.736 -0.603
63 H TYR 10 H TYR 10 13.902 8.810 1.509
64 HA TYR 10 HA TYR 10 14.112 11.557 2.422
65 HB2 TYR 10 2HB TYR 10 11.891 10.569 2.091
66 HB3 TYR 10 3HB TYR 10 12.255 9.330 3.287
67 HD1 TYR 10 HD1 TYR 10 12.443 13.066 3.101
68 HD2 TYR 10 HD2 TYR 10 11.238 9.644 5.324
69 HE1 TYR 10 HE1 TYR 10 11.571 14.532 4.874
70 HE2 TYR 10 HE2 TYR 10 10.362 11.100 7.102
71 HH TYR 10 HH TYR 10 9.895 14.419 6.697
72 H ARG 11 H ARG 11 15.573 8.658 3.170
73 HA ARG 11 HA ARG 11 16.298 9.646 5.844
74 HB2 ARG 11 2HB ARG 11 15.037 7.132 5.138
75 HB3 ARG 11 3HB ARG 11 16.577 6.868 5.947
76 HG2 ARG 11 2HG ARG 11 15.643 8.624 7.646
77 HG3 ARG 11 3HG ARG 11 14.087 8.133 6.975
78 HD2 ARG 11 2HD ARG 11 15.354 5.734 7.404
79 HD3 ARG 11 3HD ARG 11 15.892 6.709 8.770
80 HE ARG 11 HE ARG 11 13.070 6.878 8.351
81 HH11 ARG 11 1HH1 ARG 11 15.603 4.942 9.750
82 HH12 ARG 11 2HH1 ARG 11 14.567 4.203 10.926
83 HH21 ARG 11 1HH2 ARG 11 11.696 5.912 9.894
84 HH22 ARG 11 2HH2 ARG 11 12.345 4.755 11.006
85 H ASN 12 H ASN 12 17.353 9.025 2.824
86 HA ASN 12 HA ASN 12 20.077 8.411 3.763
87 HB2 ASN 12 2HB ASN 12 18.648 6.688 2.259
88 HB3 ASN 12 3HB ASN 12 19.367 7.666 0.983
89 HD21 ASN 12 1HD2 ASN 12 21.583 7.635 0.680
90 HD22 ASN 12 2HD2 ASN 12 22.596 6.429 1.391
91 HNA MK8 13 H MK8 13 17.977 10.278 1.564
92 HB MK8 13 2HB MK8 13 17.681 11.200 -0.567
93 HBA MK8 13 3HB MK8 13 18.010 12.927 -0.581
94 HD MK8 13 2HD MK8 13 21.101 10.458 -1.817
95 HDA MK8 13 3HD MK8 13 19.618 9.687 -1.220
96 HE MK8 13 HE MK8 13 19.320 10.604 -4.047
97 HG MK8 13 2HG MK8 13 18.724 11.895 -2.746
98 HGA MK8 13 3HG MK8 13 20.127 12.544 -1.900
99 HB1 MK8 13 HBA MK8 13 21.505 12.020 1.117
100 HB1A MK8 13 HGA MK8 13 21.277 10.964 0.077
101 HB1B MK8 13 HDA MK8 13 21.188 12.414 -0.295
102 H TYR 14 H TYR 14 17.351 11.981 2.119
103 HA TYR 14 HA TYR 14 17.359 14.701 2.825
104 HB2 TYR 14 2HB TYR 14 15.679 12.459 3.240
105 HB3 TYR 14 3HB TYR 14 16.007 13.151 4.825
106 HD1 TYR 14 HD1 TYR 14 14.775 13.995 1.423
107 HD2 TYR 14 HD2 TYR 14 14.902 15.099 5.530
108 HE1 TYR 14 HE1 TYR 14 13.093 15.739 1.000
109 HE2 TYR 14 HE2 TYR 14 13.219 16.845 5.119
110 HH TYR 14 HH TYR 14 11.344 16.983 2.380
111 H THR 15 H THR 15 18.822 11.892 4.297
112 HA THR 15 HA THR 15 19.439 13.169 6.787
113 HB THR 15 HB THR 15 19.219 10.665 6.437
114 HG1 THR 15 HG1 THR 15 21.393 11.895 7.766
115 HG21 THR 15 1HG2 THR 15 20.770 10.742 4.395
116 HG22 THR 15 2HG2 THR 15 20.993 9.417 5.538
117 HG23 THR 15 3HG2 THR 15 22.091 10.797 5.562
118 H MET 16 H MET 16 21.076 12.706 3.719
119 HA MET 16 HA MET 16 23.632 13.598 4.654
120 HB2 MET 16 2HB MET 16 23.096 12.113 2.606
121 HB3 MET 16 3HB MET 16 22.763 13.627 1.777
122 HG2 MET 16 2HG MET 16 24.929 13.517 1.234
123 HG3 MET 16 3HG MET 16 25.168 14.187 2.846
124 HE1 MET 16 3HE MET 16 27.633 12.011 4.221
125 HE2 MET 16 1HE MET 16 27.958 12.815 2.685
126 HE3 MET 16 2HE MET 16 26.947 13.604 3.896
127 H VAL 17 H VAL 17 20.763 15.120 3.475
128 HA VAL 17 HA VAL 17 22.002 17.594 2.716
129 HB VAL 17 HB VAL 17 19.101 16.971 3.286
130 HG11 VAL 17 1HG1 VAL 17 19.483 19.333 3.524
131 HG12 VAL 17 2HG1 VAL 17 20.395 19.379 2.014
132 HG13 VAL 17 3HG1 VAL 17 18.664 19.042 1.990
133 HG21 VAL 17 3HG2 VAL 17 20.712 16.117 1.188
134 HG22 VAL 17 1HG2 VAL 17 18.949 16.118 1.235
135 HG23 VAL 17 2HG2 VAL 17 19.813 17.484 0.530
136 H LEU 18 H LEU 18 20.294 16.386 5.564
137 HA LEU 18 HA LEU 18 20.338 18.893 6.940
138 HB2 LEU 18 2HB LEU 18 19.273 17.810 8.674
139 HB3 LEU 18 3HB LEU 18 18.770 16.868 7.272
140 HG LEU 18 HG LEU 18 20.878 15.408 7.999
141 HD11 LEU 18 1HD1 LEU 18 21.732 16.028 9.952
142 HD12 LEU 18 2HD1 LEU 18 20.222 15.508 10.700
143 HD13 LEU 18 3HD1 LEU 18 20.435 17.192 10.223
144 HD21 LEU 18 3HD2 LEU 18 18.270 15.156 9.475
145 HD22 LEU 18 1HD2 LEU 18 19.363 13.873 8.955
146 HD23 LEU 18 2HD2 LEU 18 18.437 14.780 7.759
147 H HIS 19 H HIS 19 22.466 16.141 6.710
148 HA HIS 19 HA HIS 19 24.056 16.786 8.995
149 HB2 HIS 19 2HB HIS 19 24.150 14.529 8.330
150 HB3 HIS 19 3HB HIS 19 24.426 14.947 6.642
151 HD1 HIS 19 HD1 HIS 19 26.855 15.815 6.038
152 HD2 HIS 19 HD2 HIS 19 26.420 14.236 9.856
153 HE1 HIS 19 HE1 HIS 19 29.193 15.383 6.858
154 H LYS 20 H LYS 20 24.623 17.091 5.488
155 HA LYS 20 HA LYS 20 27.029 18.578 5.802
156 HB2 LYS 20 2HB LYS 20 26.690 17.320 3.782
157 HB3 LYS 20 3HB LYS 20 25.192 18.177 3.438
158 HG2 LYS 20 2HG LYS 20 27.281 20.089 3.691
159 HG3 LYS 20 3HG LYS 20 27.814 18.809 2.598
160 HD2 LYS 20 2HD LYS 20 26.727 20.122 1.090
161 HD3 LYS 20 3HD LYS 20 25.357 19.151 1.636
162 HE2 LYS 20 2HE LYS 20 24.761 21.503 1.589
163 HE3 LYS 20 3HE LYS 20 24.772 20.907 3.248
164 HZ1 LYS 20 3HZ LYS 20 26.655 22.091 3.757
165 HZ2 LYS 20 1HZ LYS 20 25.902 23.150 2.673
166 HZ3 LYS 20 2HZ LYS 20 27.186 22.179 2.153
Start of MODEL 15
1 H1 ASN 1 H ASN 1 4.305 -3.102 -2.279
2 HA ASN 1 HA ASN 1 5.562 -3.328 -4.816
3 HB2 ASN 1 2HB ASN 1 3.513 -2.330 -6.054
4 HB3 ASN 1 3HB ASN 1 3.555 -4.067 -5.761
5 HD21 ASN 1 1HD2 ASN 1 1.395 -4.421 -5.735
6 HD22 ASN 1 2HD2 ASN 1 0.329 -3.778 -4.537
7 H SER 2 H SER 2 6.061 -1.840 -2.518
8 HA SER 2 HA SER 2 5.195 0.887 -3.108
9 HB2 SER 2 2HB SER 2 5.719 -0.486 -0.724
10 HB3 SER 2 3HB SER 2 7.055 0.653 -0.895
11 HG SER 2 HG SER 2 5.517 2.317 -1.121
12 H GLY 3 H GLY 3 8.167 -1.025 -2.812
13 HA2 GLY 3 2HA GLY 3 9.982 -0.701 -4.351
14 HA3 GLY 3 3HA GLY 3 9.512 0.986 -4.490
15 H LEU 4 H LEU 4 9.165 1.130 -1.514
16 HA LEU 4 HA LEU 4 10.434 2.067 0.148
17 HB2 LEU 4 2HB LEU 4 11.854 0.530 1.224
18 HB3 LEU 4 3HB LEU 4 10.589 -0.427 0.456
19 HG LEU 4 HG LEU 4 13.054 -0.083 -1.123
20 HD11 LEU 4 1HD1 LEU 4 13.010 -1.598 1.475
21 HD12 LEU 4 2HD1 LEU 4 14.139 -0.342 0.968
22 HD13 LEU 4 3HD1 LEU 4 14.166 -1.920 0.182
23 HD21 LEU 4 3HD2 LEU 4 12.289 -1.929 -2.110
24 HD22 LEU 4 1HD2 LEU 4 10.811 -1.690 -1.177
25 HD23 LEU 4 2HD2 LEU 4 12.074 -2.761 -0.569
26 H SER 5 H SER 5 11.121 3.012 -2.475
27 HA SER 5 HA SER 5 14.029 3.374 -2.280
28 HB2 SER 5 2HB SER 5 13.898 4.187 -4.606
29 HB3 SER 5 3HB SER 5 13.221 2.566 -4.448
30 HG SER 5 HG SER 5 11.915 5.012 -4.885
31 H PHE 6 H PHE 6 10.971 5.083 -2.305
32 HA PHE 6 HA PHE 6 12.100 7.703 -2.404
33 HB2 PHE 6 2HB PHE 6 9.371 6.641 -1.694
34 HB3 PHE 6 3HB PHE 6 9.761 8.353 -1.562
35 HD1 PHE 6 HD2 PHE 6 11.239 9.051 -3.848
36 HD2 PHE 6 HD1 PHE 6 8.083 6.213 -3.533
37 HE1 PHE 6 HE2 PHE 6 10.737 9.349 -6.238
38 HE2 PHE 6 HE1 PHE 6 7.576 6.505 -5.922
39 HZ PHE 6 HZ PHE 6 8.903 8.076 -7.278
40 H GLU 7 H GLU 7 11.029 5.552 0.180
41 HA GLU 7 HA GLU 7 11.385 7.458 2.271
42 HB2 GLU 7 2HB GLU 7 9.936 5.350 2.311
43 HB3 GLU 7 3HB GLU 7 11.427 4.464 2.604
44 HG2 GLU 7 2HG GLU 7 11.714 5.373 4.704
45 HG3 GLU 7 3HG GLU 7 10.701 6.772 4.351
46 H GLU 8 H GLU 8 13.470 5.265 0.590
47 HA GLU 8 HA GLU 8 15.541 5.268 2.589
48 HB2 GLU 8 2HB GLU 8 15.278 3.358 1.087
49 HB3 GLU 8 3HB GLU 8 15.584 4.389 -0.303
50 HG2 GLU 8 2HG GLU 8 17.844 4.694 0.294
51 HG3 GLU 8 3HG GLU 8 17.587 4.015 1.900
52 HNA MK8 9 H MK8 9 14.752 7.148 -0.349
53 HB MK8 9 2HB MK8 9 14.859 8.757 -2.023
54 HBA MK8 9 3HB MK8 9 15.951 10.134 -1.985
55 HD MK8 9 2HD MK8 9 17.930 9.415 -4.455
56 HDA MK8 9 3HD MK8 9 18.047 10.125 -2.833
57 HE MK8 9 HE MK8 9 19.588 7.967 -2.121
58 HG MK8 9 2HG MK8 9 17.179 7.383 -2.566
59 HGA MK8 9 3HG MK8 9 16.169 8.102 -3.819
60 HB1 MK8 9 HBA MK8 9 18.458 9.128 -0.828
61 HB1A MK8 9 HGA MK8 9 18.330 8.541 0.547
62 HB1B MK8 9 HDA MK8 9 18.286 7.648 -0.657
63 H TYR 10 H TYR 10 14.510 8.469 1.173
64 HA TYR 10 HA TYR 10 14.431 11.242 2.025
65 HB2 TYR 10 2HB TYR 10 12.329 10.053 1.568
66 HB3 TYR 10 3HB TYR 10 12.707 8.891 2.835
67 HD1 TYR 10 HD2 TYR 10 12.099 12.519 2.267
68 HD2 TYR 10 HD1 TYR 10 12.020 9.285 5.030
69 HE1 TYR 10 HE2 TYR 10 10.983 13.963 3.916
70 HE2 TYR 10 HE1 TYR 10 10.903 10.719 6.687
71 HH TYR 10 HH TYR 10 10.896 13.818 6.729
72 H ARG 11 H ARG 11 16.090 8.510 2.938
73 HA ARG 11 HA ARG 11 16.549 9.611 5.625
74 HB2 ARG 11 2HB ARG 11 15.464 7.030 4.956
75 HB3 ARG 11 3HB ARG 11 17.009 6.835 5.773
76 HG2 ARG 11 2HG ARG 11 16.256 7.852 7.716
77 HG3 ARG 11 3HG ARG 11 14.916 8.651 6.893
78 HD2 ARG 11 2HD ARG 11 13.648 6.704 6.802
79 HD3 ARG 11 3HD ARG 11 15.053 5.665 7.035
80 HE ARG 11 HE ARG 11 14.558 7.338 9.294
81 HH11 ARG 11 1HH1 ARG 11 13.583 4.399 7.704
82 HH12 ARG 11 2HH1 ARG 11 13.009 3.649 9.156
83 HH21 ARG 11 1HH2 ARG 11 13.805 6.362 11.214
84 HH22 ARG 11 2HH2 ARG 11 13.135 4.767 11.152
85 H ASN 12 H ASN 12 17.855 9.093 2.721
86 HA ASN 12 HA ASN 12 20.543 8.679 3.844
87 HB2 ASN 12 2HB ASN 12 19.358 6.799 2.317
88 HB3 ASN 12 3HB ASN 12 20.079 7.791 1.053
89 HD21 ASN 12 1HD2 ASN 12 20.855 5.195 1.439
90 HD22 ASN 12 2HD2 ASN 12 22.473 5.158 2.044
91 HNA MK8 13 H MK8 13 18.456 10.298 1.445
92 HB MK8 13 2HB MK8 13 18.225 11.132 -0.727
93 HBA MK8 13 3HB MK8 13 18.426 12.878 -0.787
94 HD MK8 13 2HD MK8 13 21.765 10.612 -1.730
95 HDA MK8 13 3HD MK8 13 20.307 9.750 -1.199
96 HE MK8 13 HE MK8 13 20.133 10.545 -4.072
97 HG MK8 13 2HG MK8 13 19.352 11.827 -2.862
98 HGA MK8 13 3HG MK8 13 20.644 12.613 -1.959
99 HB1 MK8 13 HBA MK8 13 21.860 12.305 1.158
100 HB1A MK8 13 HGA MK8 13 21.783 11.198 0.148
101 HB1B MK8 13 HDA MK8 13 21.606 12.623 -0.286
102 H TYR 14 H TYR 14 17.661 11.970 1.895
103 HA TYR 14 HA TYR 14 17.511 14.725 2.542
104 HB2 TYR 14 2HB TYR 14 15.724 12.665 2.520
105 HB3 TYR 14 3HB TYR 14 15.986 12.868 4.248
106 HD1 TYR 14 HD1 TYR 14 15.403 15.021 1.242
107 HD2 TYR 14 HD2 TYR 14 14.550 14.292 5.346
108 HE1 TYR 14 HE1 TYR 14 13.843 16.922 1.249
109 HE2 TYR 14 HE2 TYR 14 12.986 16.190 5.364
110 HH TYR 14 HH TYR 14 12.821 18.459 2.808
111 H THR 15 H THR 15 18.789 11.919 4.187
112 HA THR 15 HA THR 15 19.075 13.215 6.732
113 HB THR 15 HB THR 15 20.327 10.666 5.690
114 HG1 THR 15 HG1 THR 15 18.006 11.206 7.247
115 HG21 THR 15 1HG2 THR 15 20.288 11.920 8.428
116 HG22 THR 15 2HG2 THR 15 21.684 11.390 7.488
117 HG23 THR 15 3HG2 THR 15 20.580 10.200 8.176
118 H MET 16 H MET 16 20.907 13.065 3.826
119 HA MET 16 HA MET 16 23.411 13.795 5.091
120 HB2 MET 16 2HB MET 16 23.099 12.352 2.962
121 HB3 MET 16 3HB MET 16 22.882 13.889 2.134
122 HG2 MET 16 2HG MET 16 25.251 13.699 3.868
123 HG3 MET 16 3HG MET 16 25.252 12.659 2.446
124 HE1 MET 16 3HE MET 16 26.651 14.231 0.019
125 HE2 MET 16 1HE MET 16 25.328 13.114 0.356
126 HE3 MET 16 2HE MET 16 25.007 14.633 -0.481
127 H VAL 17 H VAL 17 20.699 15.348 3.612
128 HA VAL 17 HA VAL 17 22.033 17.836 3.074
129 HB VAL 17 HB VAL 17 19.078 17.221 3.224
130 HG11 VAL 17 1HG1 VAL 17 19.266 19.542 3.483
131 HG12 VAL 17 2HG1 VAL 17 20.604 19.650 2.338
132 HG13 VAL 17 3HG1 VAL 17 18.972 19.311 1.760
133 HG21 VAL 17 3HG2 VAL 17 20.201 17.741 0.601
134 HG22 VAL 17 1HG2 VAL 17 20.938 16.338 1.374
135 HG23 VAL 17 2HG2 VAL 17 19.190 16.405 1.151
136 H LEU 18 H LEU 18 19.972 16.549 5.634
137 HA LEU 18 HA LEU 18 19.788 19.023 7.057
138 HB2 LEU 18 2HB LEU 18 18.528 17.881 8.618
139 HB3 LEU 18 3HB LEU 18 18.218 16.981 7.135
140 HG LEU 18 HG LEU 18 20.234 15.514 8.082
141 HD11 LEU 18 1HD1 LEU 18 19.549 17.239 10.264
142 HD12 LEU 18 2HD1 LEU 18 20.805 16.006 10.166
143 HD13 LEU 18 3HD1 LEU 18 19.176 15.566 10.680
144 HD21 LEU 18 3HD2 LEU 18 18.643 13.922 8.692
145 HD22 LEU 18 1HD2 LEU 18 17.793 14.940 7.530
146 HD23 LEU 18 2HD2 LEU 18 17.500 15.142 9.258
147 H HIS 19 H HIS 19 21.968 16.300 7.063
148 HA HIS 19 HA HIS 19 23.225 16.896 9.552
149 HB2 HIS 19 2HB HIS 19 23.468 14.670 8.820
150 HB3 HIS 19 3HB HIS 19 23.961 15.164 7.203
151 HD1 HIS 19 HD1 HIS 19 26.426 16.106 6.973
152 HD2 HIS 19 HD2 HIS 19 25.515 14.360 10.631
153 HE1 HIS 19 HE1 HIS 19 28.641 15.689 8.089
154 H LYS 20 H LYS 20 24.259 17.354 6.171
155 HA LYS 20 HA LYS 20 26.562 18.871 6.862
156 HB2 LYS 20 2HB LYS 20 26.570 17.734 4.766
157 HB3 LYS 20 3HB LYS 20 25.060 18.490 4.274
158 HG2 LYS 20 2HG LYS 20 27.064 20.477 4.863
159 HG3 LYS 20 3HG LYS 20 27.641 19.322 3.659
160 HD2 LYS 20 2HD LYS 20 26.561 20.693 2.226
161 HD3 LYS 20 3HD LYS 20 25.147 19.767 2.735
162 HE2 LYS 20 2HE LYS 20 24.434 21.447 4.198
163 HE3 LYS 20 3HE LYS 20 26.012 22.232 4.210
164 HZ1 LYS 20 3HZ LYS 20 23.924 22.311 2.134
165 HZ2 LYS 20 1HZ LYS 20 25.539 22.598 1.721
166 HZ3 LYS 20 2HZ LYS 20 24.765 23.592 2.849
Start of MODEL 16
1 H1 ASN 1 H ASN 1 2.865 -1.824 -6.591
2 HA ASN 1 HA ASN 1 3.646 -2.278 -3.807
3 HB2 ASN 1 2HB ASN 1 5.690 -3.104 -4.603
4 HB3 ASN 1 3HB ASN 1 4.530 -3.660 -5.805
5 HD21 ASN 1 1HD2 ASN 1 4.762 -3.047 -7.869
6 HD22 ASN 1 2HD2 ASN 1 5.983 -1.967 -8.442
7 H SER 2 H SER 2 5.988 -1.202 -3.444
8 HA SER 2 HA SER 2 5.721 1.651 -4.133
9 HB2 SER 2 2HB SER 2 5.510 0.508 -1.575
10 HB3 SER 2 3HB SER 2 7.109 1.250 -1.627
11 HG SER 2 HG SER 2 4.589 2.426 -1.765
12 H GLY 3 H GLY 3 7.990 -0.843 -2.985
13 HA2 GLY 3 2HA GLY 3 10.036 -1.308 -4.131
14 HA3 GLY 3 3HA GLY 3 10.033 0.342 -4.736
15 H LEU 4 H LEU 4 9.249 1.169 -1.884
16 HA LEU 4 HA LEU 4 10.302 1.970 -0.036
17 HB2 LEU 4 2HB LEU 4 10.960 -0.687 -0.176
18 HB3 LEU 4 3HB LEU 4 12.539 0.088 -0.066
19 HG LEU 4 HG LEU 4 11.402 1.336 1.964
20 HD11 LEU 4 1HD1 LEU 4 9.938 -1.292 1.999
21 HD12 LEU 4 2HD1 LEU 4 9.201 0.223 1.477
22 HD13 LEU 4 3HD1 LEU 4 9.788 0.052 3.132
23 HD21 LEU 4 3HD2 LEU 4 13.228 -0.689 1.669
24 HD22 LEU 4 1HD2 LEU 4 12.042 -1.395 2.767
25 HD23 LEU 4 2HD2 LEU 4 12.832 0.126 3.183
26 H SER 5 H SER 5 11.160 2.721 -2.799
27 HA SER 5 HA SER 5 13.972 3.389 -2.444
28 HB2 SER 5 2HB SER 5 12.058 3.853 -4.742
29 HB3 SER 5 3HB SER 5 13.749 4.355 -4.748
30 HG SER 5 HG SER 5 13.036 1.683 -4.203
31 H PHE 6 H PHE 6 10.841 4.854 -2.208
32 HA PHE 6 HA PHE 6 11.845 7.562 -2.243
33 HB2 PHE 6 2HB PHE 6 9.334 6.358 -2.598
34 HB3 PHE 6 3HB PHE 6 9.194 7.305 -1.120
35 HD1 PHE 6 HD1 PHE 6 9.831 9.753 -1.202
36 HD2 PHE 6 HD2 PHE 6 9.267 7.383 -4.692
37 HE1 PHE 6 HE1 PHE 6 9.538 11.798 -2.539
38 HE2 PHE 6 HE2 PHE 6 8.974 9.423 -6.035
39 HZ PHE 6 HZ PHE 6 9.110 11.634 -4.959
40 H GLU 7 H GLU 7 11.213 5.096 0.097
41 HA GLU 7 HA GLU 7 11.236 6.938 2.339
42 HB2 GLU 7 2HB GLU 7 10.313 4.291 1.898
43 HB3 GLU 7 3HB GLU 7 11.536 4.213 3.158
44 HG2 GLU 7 2HG GLU 7 9.525 4.512 4.296
45 HG3 GLU 7 3HG GLU 7 10.272 6.108 4.284
46 H GLU 8 H GLU 8 13.455 4.998 0.556
47 HA GLU 8 HA GLU 8 15.466 4.981 2.642
48 HB2 GLU 8 2HB GLU 8 16.783 3.667 1.179
49 HB3 GLU 8 3HB GLU 8 15.129 3.110 0.965
50 HG2 GLU 8 2HG GLU 8 14.943 4.458 -1.069
51 HG3 GLU 8 3HG GLU 8 16.609 4.993 -0.859
52 HNA MK8 9 H MK8 9 14.667 6.847 -0.294
53 HB MK8 9 2HB MK8 9 14.722 8.479 -1.937
54 HBA MK8 9 3HB MK8 9 15.781 9.882 -1.886
55 HD MK8 9 2HD MK8 9 17.751 9.264 -4.384
56 HDA MK8 9 3HD MK8 9 17.877 9.932 -2.745
57 HE MK8 9 HE MK8 9 19.464 7.779 -2.114
58 HG MK8 9 2HG MK8 9 17.065 7.171 -2.534
59 HGA MK8 9 3HG MK8 9 16.028 7.894 -3.762
60 HB1 MK8 9 HBA MK8 9 18.331 8.897 -0.776
61 HB1A MK8 9 HGA MK8 9 18.229 8.270 0.583
62 HB1B MK8 9 HDA MK8 9 18.181 7.411 -0.645
63 H TYR 10 H TYR 10 14.417 8.155 1.259
64 HA TYR 10 HA TYR 10 14.320 10.914 2.155
65 HB2 TYR 10 2HB TYR 10 12.208 9.802 1.736
66 HB3 TYR 10 3HB TYR 10 12.626 8.508 2.854
67 HD1 TYR 10 HD2 TYR 10 11.799 12.110 2.633
68 HD2 TYR 10 HD1 TYR 10 12.220 8.725 5.176
69 HE1 TYR 10 HE2 TYR 10 10.740 13.363 4.466
70 HE2 TYR 10 HE1 TYR 10 11.161 9.968 7.016
71 HH TYR 10 HH TYR 10 10.204 11.867 7.644
72 H ARG 11 H ARG 11 15.954 8.129 3.032
73 HA ARG 11 HA ARG 11 16.448 9.207 5.727
74 HB2 ARG 11 2HB ARG 11 15.311 6.690 5.072
75 HB3 ARG 11 3HB ARG 11 16.933 6.387 5.681
76 HG2 ARG 11 2HG ARG 11 15.207 8.258 7.205
77 HG3 ARG 11 3HG ARG 11 14.839 6.534 7.281
78 HD2 ARG 11 2HD ARG 11 17.473 6.412 7.682
79 HD3 ARG 11 3HD ARG 11 17.179 8.032 8.312
80 HE ARG 11 HE ARG 11 16.492 5.571 9.557
81 HH11 ARG 11 1HH1 ARG 11 15.438 8.862 9.139
82 HH12 ARG 11 2HH1 ARG 11 14.566 8.911 10.636
83 HH21 ARG 11 1HH2 ARG 11 15.348 5.622 11.530
84 HH22 ARG 11 2HH2 ARG 11 14.516 7.067 11.995
85 H ASN 12 H ASN 12 17.729 8.657 2.776
86 HA ASN 12 HA ASN 12 20.437 8.298 3.878
87 HB2 ASN 12 2HB ASN 12 19.263 6.451 2.308
88 HB3 ASN 12 3HB ASN 12 19.952 7.492 1.064
89 HD21 ASN 12 1HD2 ASN 12 21.692 6.490 0.342
90 HD22 ASN 12 2HD2 ASN 12 22.962 5.842 1.318
91 HNA MK8 13 H MK8 13 18.312 9.973 1.552
92 HB MK8 13 2HB MK8 13 18.065 10.860 -0.599
93 HBA MK8 13 3HB MK8 13 18.223 12.611 -0.591
94 HD MK8 13 2HD MK8 13 21.604 10.462 -1.657
95 HDA MK8 13 3HD MK8 13 20.172 9.548 -1.145
96 HE MK8 13 HE MK8 13 19.943 10.452 -3.982
97 HG MK8 13 2HG MK8 13 19.156 11.672 -2.714
98 HGA MK8 13 3HG MK8 13 20.440 12.446 -1.787
99 HB1 MK8 13 HBA MK8 13 21.694 12.018 1.298
100 HB1A MK8 13 HGA MK8 13 21.617 10.946 0.251
101 HB1B MK8 13 HDA MK8 13 21.423 12.383 -0.132
102 H TYR 14 H TYR 14 17.508 11.616 2.065
103 HA TYR 14 HA TYR 14 17.242 14.326 2.760
104 HB2 TYR 14 2HB TYR 14 15.732 11.957 3.073
105 HB3 TYR 14 3HB TYR 14 15.919 12.647 4.681
106 HD1 TYR 14 HD2 TYR 14 15.399 14.128 1.284
107 HD2 TYR 14 HD1 TYR 14 14.024 13.801 5.297
108 HE1 TYR 14 HE2 TYR 14 13.607 15.740 0.795
109 HE2 TYR 14 HE1 TYR 14 12.227 15.411 4.818
110 HH TYR 14 HH TYR 14 10.967 16.221 2.816
111 H THR 15 H THR 15 18.873 11.659 4.308
112 HA THR 15 HA THR 15 19.228 12.978 6.830
113 HB THR 15 HB THR 15 19.244 10.464 6.478
114 HG1 THR 15 HG1 THR 15 19.959 10.933 8.447
115 HG21 THR 15 1HG2 THR 15 22.127 10.893 5.720
116 HG22 THR 15 2HG2 THR 15 20.859 10.619 4.526
117 HG23 THR 15 3HG2 THR 15 21.215 9.384 5.733
118 H MET 16 H MET 16 21.068 12.663 3.861
119 HA MET 16 HA MET 16 23.482 13.771 4.936
120 HB2 MET 16 2HB MET 16 23.201 12.243 2.872
121 HB3 MET 16 3HB MET 16 22.773 13.718 2.015
122 HG2 MET 16 2HG MET 16 24.892 14.356 1.854
123 HG3 MET 16 3HG MET 16 25.205 14.022 3.556
124 HE1 MET 16 3HE MET 16 28.010 11.729 2.786
125 HE2 MET 16 1HE MET 16 27.801 13.368 2.169
126 HE3 MET 16 2HE MET 16 27.282 12.971 3.807
127 H VAL 17 H VAL 17 20.562 15.039 3.593
128 HA VAL 17 HA VAL 17 21.626 17.611 2.892
129 HB VAL 17 HB VAL 17 18.761 16.740 3.298
130 HG11 VAL 17 1HG1 VAL 17 19.991 19.297 2.348
131 HG12 VAL 17 2HG1 VAL 17 18.404 18.795 1.764
132 HG13 VAL 17 3HG1 VAL 17 18.670 19.050 3.489
133 HG21 VAL 17 3HG2 VAL 17 18.859 15.809 1.283
134 HG22 VAL 17 1HG2 VAL 17 19.492 17.300 0.585
135 HG23 VAL 17 2HG2 VAL 17 20.597 16.105 1.264
136 H LEU 18 H LEU 18 19.870 16.257 5.644
137 HA LEU 18 HA LEU 18 19.616 18.758 7.008
138 HB2 LEU 18 2HB LEU 18 18.550 17.588 8.682
139 HB3 LEU 18 3HB LEU 18 18.212 16.605 7.258
140 HG LEU 18 HG LEU 18 20.393 15.333 8.113
141 HD11 LEU 18 1HD1 LEU 18 19.383 15.556 10.786
142 HD12 LEU 18 2HD1 LEU 18 19.905 17.137 10.205
143 HD13 LEU 18 3HD1 LEU 18 21.028 15.777 10.189
144 HD21 LEU 18 3HD2 LEU 18 17.753 14.838 9.460
145 HD22 LEU 18 1HD2 LEU 18 18.968 13.665 8.951
146 HD23 LEU 18 2HD2 LEU 18 18.008 14.520 7.743
147 H HIS 19 H HIS 19 21.983 16.201 6.913
148 HA HIS 19 HA HIS 19 23.376 16.977 9.283
149 HB2 HIS 19 2HB HIS 19 23.705 14.738 8.630
150 HB3 HIS 19 3HB HIS 19 24.042 15.184 6.959
151 HD1 HIS 19 HD1 HIS 19 26.418 16.261 6.498
152 HD2 HIS 19 HD2 HIS 19 25.898 14.639 10.287
153 HE1 HIS 19 HE1 HIS 19 28.732 16.032 7.454
154 H LYS 20 H LYS 20 24.130 17.330 5.816
155 HA LYS 20 HA LYS 20 26.375 19.014 6.258
156 HB2 LYS 20 2HB LYS 20 26.291 17.784 4.217
157 HB3 LYS 20 3HB LYS 20 24.705 18.428 3.816
158 HG2 LYS 20 2HG LYS 20 26.625 20.551 4.163
159 HG3 LYS 20 3HG LYS 20 27.173 19.379 2.963
160 HD2 LYS 20 2HD LYS 20 25.908 20.644 1.577
161 HD3 LYS 20 3HD LYS 20 24.606 19.633 2.210
162 HE2 LYS 20 2HE LYS 20 23.716 21.317 3.441
163 HE3 LYS 20 3HE LYS 20 25.285 22.047 3.775
164 HZ1 LYS 20 3HZ LYS 20 25.267 23.201 1.799
165 HZ2 LYS 20 1HZ LYS 20 23.629 23.245 2.221
166 HZ3 LYS 20 2HZ LYS 20 24.172 22.150 1.052
Start of MODEL 17
1 H1 ASN 1 H ASN 1 4.985 4.374 -8.983
2 HA ASN 1 HA ASN 1 6.046 4.828 -6.381
3 HB2 ASN 1 2HB ASN 1 4.547 3.066 -5.281
4 HB3 ASN 1 3HB ASN 1 3.848 4.663 -5.536
5 HD21 ASN 1 1HD2 ASN 1 3.492 1.366 -6.035
6 HD22 ASN 1 2HD2 ASN 1 2.163 1.416 -7.138
7 H SER 2 H SER 2 7.576 3.341 -5.906
8 HA SER 2 HA SER 2 7.749 0.994 -7.680
9 HB2 SER 2 2HB SER 2 9.640 3.068 -7.154
10 HB3 SER 2 3HB SER 2 10.286 1.557 -6.514
11 HG SER 2 HG SER 2 10.143 2.355 -9.052
12 H GLY 3 H GLY 3 9.213 2.005 -4.584
13 HA2 GLY 3 2HA GLY 3 7.957 -0.109 -3.119
14 HA3 GLY 3 3HA GLY 3 9.631 -0.484 -3.501
15 H LEU 4 H LEU 4 10.826 -0.183 -1.745
16 HA LEU 4 HA LEU 4 10.123 1.856 0.194
17 HB2 LEU 4 2HB LEU 4 11.673 0.845 1.633
18 HB3 LEU 4 3HB LEU 4 10.899 -0.482 0.769
19 HG LEU 4 HG LEU 4 13.247 0.252 -0.658
20 HD11 LEU 4 1HD1 LEU 4 14.330 1.195 1.149
21 HD12 LEU 4 2HD1 LEU 4 14.825 -0.493 1.262
22 HD13 LEU 4 3HD1 LEU 4 13.549 0.123 2.312
23 HD21 LEU 4 3HD2 LEU 4 12.998 -2.180 1.062
24 HD22 LEU 4 1HD2 LEU 4 13.693 -2.012 -0.551
25 HD23 LEU 4 2HD2 LEU 4 11.942 -1.972 -0.337
26 H SER 5 H SER 5 11.815 1.843 -2.625
27 HA SER 5 HA SER 5 14.204 3.155 -2.125
28 HB2 SER 5 2HB SER 5 12.676 2.502 -4.393
29 HB3 SER 5 3HB SER 5 12.944 4.243 -4.487
30 HG SER 5 HG SER 5 15.242 3.532 -3.913
31 H PHE 6 H PHE 6 10.964 4.322 -1.893
32 HA PHE 6 HA PHE 6 11.662 7.114 -1.999
33 HB2 PHE 6 2HB PHE 6 9.394 7.552 -1.812
34 HB3 PHE 6 3HB PHE 6 9.379 5.957 -2.558
35 HD1 PHE 6 HD2 PHE 6 9.483 3.983 -0.718
36 HD2 PHE 6 HD1 PHE 6 7.905 7.889 -0.114
37 HE1 PHE 6 HE2 PHE 6 8.094 3.133 1.127
38 HE2 PHE 6 HE1 PHE 6 6.514 7.046 1.733
39 HZ PHE 6 HZ PHE 6 6.607 4.665 2.354
40 H GLU 7 H GLU 7 11.301 4.663 0.448
41 HA GLU 7 HA GLU 7 11.317 6.569 2.629
42 HB2 GLU 7 2HB GLU 7 10.326 4.044 2.392
43 HB3 GLU 7 3HB GLU 7 11.843 3.730 3.223
44 HG2 GLU 7 2HG GLU 7 10.204 5.931 4.298
45 HG3 GLU 7 3HG GLU 7 9.550 4.305 4.480
46 H GLU 8 H GLU 8 13.581 4.624 0.860
47 HA GLU 8 HA GLU 8 15.683 4.865 2.823
48 HB2 GLU 8 2HB GLU 8 15.198 3.134 0.736
49 HB3 GLU 8 3HB GLU 8 16.488 4.146 0.102
50 HG2 GLU 8 2HG GLU 8 16.628 2.763 2.766
51 HG3 GLU 8 3HG GLU 8 17.223 2.055 1.266
52 HNA MK8 9 H MK8 9 14.616 6.584 -0.115
53 HB MK8 9 2HB MK8 9 14.477 8.172 -1.800
54 HBA MK8 9 3HB MK8 9 15.447 9.638 -1.845
55 HD MK8 9 2HD MK8 9 17.324 9.058 -4.426
56 HDA MK8 9 3HD MK8 9 17.487 9.789 -2.817
57 HE MK8 9 HE MK8 9 19.241 7.772 -2.198
58 HG MK8 9 2HG MK8 9 16.862 6.990 -2.482
59 HGA MK8 9 3HG MK8 9 15.721 7.610 -3.673
60 HB1 MK8 9 HBA MK8 9 18.103 8.857 -0.844
61 HB1A MK8 9 HGA MK8 9 18.112 8.274 0.538
62 HB1B MK8 9 HDA MK8 9 18.062 7.369 -0.657
63 H TYR 10 H TYR 10 14.348 7.920 1.406
64 HA TYR 10 HA TYR 10 14.111 10.691 2.236
65 HB2 TYR 10 2HB TYR 10 12.061 9.427 1.947
66 HB3 TYR 10 3HB TYR 10 12.615 8.202 3.083
67 HD1 TYR 10 HD1 TYR 10 12.443 11.940 3.169
68 HD2 TYR 10 HD2 TYR 10 11.400 8.262 5.037
69 HE1 TYR 10 HE1 TYR 10 11.388 13.182 5.012
70 HE2 TYR 10 HE2 TYR 10 10.341 9.493 6.884
71 HH TYR 10 HH TYR 10 10.842 12.723 7.465
72 H ARG 11 H ARG 11 15.980 8.058 3.096
73 HA ARG 11 HA ARG 11 16.530 9.244 5.732
74 HB2 ARG 11 2HB ARG 11 15.378 6.763 5.363
75 HB3 ARG 11 3HB ARG 11 17.082 6.378 5.559
76 HG2 ARG 11 2HG ARG 11 16.914 7.959 7.624
77 HG3 ARG 11 3HG ARG 11 15.187 7.620 7.493
78 HD2 ARG 11 2HD ARG 11 15.774 5.902 8.861
79 HD3 ARG 11 3HD ARG 11 16.087 5.128 7.308
80 HE ARG 11 HE ARG 11 18.321 5.116 7.805
81 HH11 ARG 11 1HH1 ARG 11 16.686 7.315 9.952
82 HH12 ARG 11 2HH1 ARG 11 18.077 7.580 10.951
83 HH21 ARG 11 1HH2 ARG 11 20.159 5.456 9.112
84 HH22 ARG 11 2HH2 ARG 11 20.052 6.523 10.471
85 H ASN 12 H ASN 12 17.699 8.758 2.754
86 HA ASN 12 HA ASN 12 20.472 8.565 3.722
87 HB2 ASN 12 2HB ASN 12 19.348 6.589 2.283
88 HB3 ASN 12 3HB ASN 12 19.897 7.622 0.967
89 HD21 ASN 12 1HD2 ASN 12 20.745 4.954 2.224
90 HD22 ASN 12 2HD2 ASN 12 22.461 5.109 2.361
91 HNA MK8 13 H MK8 13 18.135 10.016 1.450
92 HB MK8 13 2HB MK8 13 17.722 10.807 -0.711
93 HBA MK8 13 3HB MK8 13 17.769 12.564 -0.769
94 HD MK8 13 2HD MK8 13 21.220 10.590 -1.943
95 HDA MK8 13 3HD MK8 13 19.876 9.607 -1.328
96 HE MK8 13 HE MK8 13 19.446 10.394 -4.176
97 HG MK8 13 2HG MK8 13 18.647 11.605 -2.908
98 HGA MK8 13 3HG MK8 13 19.925 12.492 -2.080
99 HB1 MK8 13 HBA MK8 13 21.366 12.252 0.944
100 HB1A MK8 13 HGA MK8 13 21.302 11.136 -0.056
101 HB1B MK8 13 HDA MK8 13 20.999 12.542 -0.481
102 H TYR 14 H TYR 14 17.259 11.629 1.953
103 HA TYR 14 HA TYR 14 16.938 14.367 2.595
104 HB2 TYR 14 2HB TYR 14 15.442 11.997 2.899
105 HB3 TYR 14 3HB TYR 14 15.645 12.657 4.518
106 HD1 TYR 14 HD1 TYR 14 14.816 13.882 1.080
107 HD2 TYR 14 HD2 TYR 14 14.021 14.114 5.253
108 HE1 TYR 14 HE1 TYR 14 13.012 15.495 0.640
109 HE2 TYR 14 HE2 TYR 14 12.214 15.727 4.825
110 HH TYR 14 HH TYR 14 10.646 16.201 2.649
111 H THR 15 H THR 15 18.503 11.677 4.211
112 HA THR 15 HA THR 15 18.895 13.040 6.696
113 HB THR 15 HB THR 15 20.265 10.586 5.580
114 HG1 THR 15 HG1 THR 15 18.186 10.830 7.517
115 HG21 THR 15 1HG2 THR 15 20.512 12.038 8.170
116 HG22 THR 15 2HG2 THR 15 21.742 11.193 7.229
117 HG23 THR 15 3HG2 THR 15 20.577 10.276 8.184
118 H MET 16 H MET 16 20.532 12.973 3.665
119 HA MET 16 HA MET 16 23.041 13.948 4.740
120 HB2 MET 16 2HB MET 16 22.706 12.429 2.664
121 HB3 MET 16 3HB MET 16 22.316 13.925 1.825
122 HG2 MET 16 2HG MET 16 24.449 14.617 1.789
123 HG3 MET 16 3HG MET 16 24.789 13.993 3.401
124 HE1 MET 16 3HE MET 16 27.329 12.117 2.759
125 HE2 MET 16 1HE MET 16 26.066 12.494 3.931
126 HE3 MET 16 2HE MET 16 26.200 10.863 3.274
127 H VAL 17 H VAL 17 20.112 15.226 3.420
128 HA VAL 17 HA VAL 17 21.187 17.803 2.740
129 HB VAL 17 HB VAL 17 18.315 16.937 3.103
130 HG11 VAL 17 1HG1 VAL 17 19.578 19.500 2.260
131 HG12 VAL 17 2HG1 VAL 17 18.061 19.006 1.507
132 HG13 VAL 17 3HG1 VAL 17 18.150 19.220 3.256
133 HG21 VAL 17 3HG2 VAL 17 20.102 16.158 1.155
134 HG22 VAL 17 1HG2 VAL 17 18.343 16.122 1.024
135 HG23 VAL 17 2HG2 VAL 17 19.245 17.505 0.405
136 H LEU 18 H LEU 18 19.421 16.414 5.463
137 HA LEU 18 HA LEU 18 19.122 18.901 6.844
138 HB2 LEU 18 2HB LEU 18 18.073 17.698 8.513
139 HB3 LEU 18 3HB LEU 18 17.740 16.738 7.073
140 HG LEU 18 HG LEU 18 19.933 15.468 7.904
141 HD11 LEU 18 1HD1 LEU 18 19.314 17.204 10.070
142 HD12 LEU 18 2HD1 LEU 18 20.590 15.993 9.952
143 HD13 LEU 18 3HD1 LEU 18 19.003 15.543 10.574
144 HD21 LEU 18 3HD2 LEU 18 17.240 14.977 9.162
145 HD22 LEU 18 1HD2 LEU 18 18.502 13.794 8.814
146 HD23 LEU 18 2HD2 LEU 18 17.632 14.571 7.490
147 H HIS 19 H HIS 19 21.521 16.371 6.757
148 HA HIS 19 HA HIS 19 22.887 17.133 9.140
149 HB2 HIS 19 2HB HIS 19 23.273 14.919 8.437
150 HB3 HIS 19 3HB HIS 19 23.609 15.412 6.779
151 HD1 HIS 19 HD1 HIS 19 25.963 16.554 6.359
152 HD2 HIS 19 HD2 HIS 19 25.457 14.830 10.105
153 HE1 HIS 19 HE1 HIS 19 28.276 16.355 7.325
154 H LYS 20 H LYS 20 23.666 17.581 5.689
155 HA LYS 20 HA LYS 20 25.869 19.301 6.184
156 HB2 LYS 20 2HB LYS 20 25.823 18.138 4.108
157 HB3 LYS 20 3HB LYS 20 24.216 18.741 3.726
158 HG2 LYS 20 2HG LYS 20 26.302 20.785 4.121
159 HG3 LYS 20 3HG LYS 20 26.472 19.757 2.696
160 HD2 LYS 20 2HD LYS 20 23.950 21.245 3.415
161 HD3 LYS 20 3HD LYS 20 25.178 21.860 2.306
162 HE2 LYS 20 2HE LYS 20 24.557 19.218 1.506
163 HE3 LYS 20 3HE LYS 20 23.030 20.054 1.787
164 HZ1 LYS 20 3HZ LYS 20 24.464 20.204 -0.482
165 HZ2 LYS 20 1HZ LYS 20 24.978 21.599 0.325
166 HZ3 LYS 20 2HZ LYS 20 23.333 21.360 0.015
Start of MODEL 18
1 H1 ASN 1 H ASN 1 8.847 -1.597 -6.267
2 HA ASN 1 HA ASN 1 10.354 0.578 -5.109
3 HB2 ASN 1 2HB ASN 1 9.963 0.337 -8.092
4 HB3 ASN 1 3HB ASN 1 10.285 1.877 -7.299
5 HD21 ASN 1 1HD2 ASN 1 11.809 0.104 -9.213
6 HD22 ASN 1 2HD2 ASN 1 13.374 -0.041 -8.495
7 H SER 2 H SER 2 7.936 -0.351 -4.319
8 HA SER 2 HA SER 2 5.978 1.535 -5.446
9 HB2 SER 2 2HB SER 2 5.762 -1.201 -4.837
10 HB3 SER 2 3HB SER 2 4.834 -0.365 -3.591
11 HG SER 2 HG SER 2 3.454 0.340 -5.064
12 H GLY 3 H GLY 3 6.805 0.073 -2.292
13 HA2 GLY 3 2HA GLY 3 6.488 2.733 -1.077
14 HA3 GLY 3 3HA GLY 3 5.596 1.374 -0.411
15 H LEU 4 H LEU 4 8.866 2.536 -1.114
16 HA LEU 4 HA LEU 4 9.878 1.883 1.414
17 HB2 LEU 4 2HB LEU 4 9.749 -0.400 0.920
18 HB3 LEU 4 3HB LEU 4 10.289 -0.161 -0.740
19 HG LEU 4 HG LEU 4 12.552 0.377 0.125
20 HD11 LEU 4 1HD1 LEU 4 12.141 1.153 2.314
21 HD12 LEU 4 2HD1 LEU 4 12.999 -0.376 2.497
22 HD13 LEU 4 3HD1 LEU 4 11.255 -0.309 2.749
23 HD21 LEU 4 3HD2 LEU 4 11.208 -2.185 0.160
24 HD22 LEU 4 1HD2 LEU 4 12.574 -2.148 1.275
25 HD23 LEU 4 2HD2 LEU 4 12.817 -1.762 -0.429
26 H SER 5 H SER 5 10.742 2.035 -2.026
27 HA SER 5 HA SER 5 13.371 2.931 -1.720
28 HB2 SER 5 2HB SER 5 11.669 2.395 -3.859
29 HB3 SER 5 3HB SER 5 12.057 4.106 -4.036
30 HG SER 5 HG SER 5 13.781 3.286 -4.956
31 H PHE 6 H PHE 6 10.334 4.624 -1.519
32 HA PHE 6 HA PHE 6 11.411 7.255 -1.742
33 HB2 PHE 6 2HB PHE 6 8.790 6.049 -1.108
34 HB3 PHE 6 3HB PHE 6 9.085 7.632 -0.395
35 HD1 PHE 6 HD1 PHE 6 10.151 9.373 -2.122
36 HD2 PHE 6 HD2 PHE 6 7.776 5.996 -3.157
37 HE1 PHE 6 HE1 PHE 6 9.563 10.446 -4.257
38 HE2 PHE 6 HE2 PHE 6 7.184 7.063 -5.294
39 HZ PHE 6 HZ PHE 6 8.078 9.290 -5.847
40 H GLU 7 H GLU 7 10.601 5.128 0.960
41 HA GLU 7 HA GLU 7 11.151 7.043 2.991
42 HB2 GLU 7 2HB GLU 7 10.830 4.055 2.967
43 HB3 GLU 7 3HB GLU 7 11.330 4.897 4.427
44 HG2 GLU 7 2HG GLU 7 9.303 5.993 4.647
45 HG3 GLU 7 3HG GLU 7 8.878 5.755 2.953
46 H GLU 8 H GLU 8 13.101 4.884 1.114
47 HA GLU 8 HA GLU 8 15.364 4.945 2.892
48 HB2 GLU 8 2HB GLU 8 14.577 3.374 0.718
49 HB3 GLU 8 3HB GLU 8 16.000 4.238 0.153
50 HG2 GLU 8 2HG GLU 8 17.348 3.342 1.867
51 HG3 GLU 8 3HG GLU 8 15.948 2.745 2.756
52 HNA MK8 9 H MK8 9 14.243 6.780 0.033
53 HB MK8 9 2HB MK8 9 14.146 8.373 -1.656
54 HBA MK8 9 3HB MK8 9 15.204 9.775 -1.736
55 HD MK8 9 2HD MK8 9 16.946 9.076 -4.386
56 HDA MK8 9 3HD MK8 9 17.204 9.806 -2.789
57 HE MK8 9 HE MK8 9 18.868 7.709 -2.211
58 HG MK8 9 2HG MK8 9 16.432 7.047 -2.417
59 HGA MK8 9 3HG MK8 9 15.287 7.731 -3.568
60 HB1 MK8 9 HBA MK8 9 17.837 8.838 -0.824
61 HB1A MK8 9 HGA MK8 9 17.859 8.254 0.558
62 HB1B MK8 9 HDA MK8 9 17.716 7.355 -0.634
63 H TYR 10 H TYR 10 14.125 8.109 1.563
64 HA TYR 10 HA TYR 10 14.069 10.889 2.398
65 HB2 TYR 10 2HB TYR 10 11.960 9.640 2.160
66 HB3 TYR 10 3HB TYR 10 12.489 8.511 3.402
67 HD1 TYR 10 HD2 TYR 10 11.660 12.085 2.816
68 HD2 TYR 10 HD1 TYR 10 12.090 8.959 5.669
69 HE1 TYR 10 HE2 TYR 10 10.675 13.534 4.542
70 HE2 TYR 10 HE1 TYR 10 11.105 10.398 7.404
71 HH TYR 10 HH TYR 10 10.150 13.743 6.690
72 H ARG 11 H ARG 11 15.874 8.205 3.158
73 HA ARG 11 HA ARG 11 16.569 9.338 5.782
74 HB2 ARG 11 2HB ARG 11 15.217 7.017 5.599
75 HB3 ARG 11 3HB ARG 11 16.859 6.408 5.445
76 HG2 ARG 11 2HG ARG 11 17.422 6.975 7.583
77 HG3 ARG 11 3HG ARG 11 16.264 8.305 7.652
78 HD2 ARG 11 2HD ARG 11 14.522 6.942 8.226
79 HD3 ARG 11 3HD ARG 11 15.202 5.544 7.394
80 HE ARG 11 HE ARG 11 16.919 5.917 9.441
81 HH11 ARG 11 1HH1 ARG 11 13.451 5.657 9.269
82 HH12 ARG 11 2HH1 ARG 11 13.295 4.958 10.846
83 HH21 ARG 11 1HH2 ARG 11 16.726 4.997 11.519
84 HH22 ARG 11 2HH2 ARG 11 15.158 4.584 12.126
85 H ASN 12 H ASN 12 17.596 8.844 2.766
86 HA ASN 12 HA ASN 12 20.392 8.507 3.619
87 HB2 ASN 12 2HB ASN 12 19.107 6.589 2.218
88 HB3 ASN 12 3HB ASN 12 19.690 7.589 0.891
89 HD21 ASN 12 1HD2 ASN 12 21.915 7.842 0.591
90 HD22 ASN 12 2HD2 ASN 12 23.054 6.746 1.289
91 HNA MK8 13 H MK8 13 18.040 10.031 1.401
92 HB MK8 13 2HB MK8 13 17.556 10.859 -0.719
93 HBA MK8 13 3HB MK8 13 17.715 12.607 -0.813
94 HD MK8 13 2HD MK8 13 20.993 10.416 -2.064
95 HDA MK8 13 3HD MK8 13 19.619 9.517 -1.390
96 HE MK8 13 HE MK8 13 19.150 10.273 -4.242
97 HG MK8 13 2HG MK8 13 18.438 11.539 -2.965
98 HGA MK8 13 3HG MK8 13 19.793 12.380 -2.216
99 HB1 MK8 13 HBA MK8 13 20.928 12.407 -0.661
100 HB1A MK8 13 HGA MK8 13 21.338 12.151 0.759
101 HB1B MK8 13 HDA MK8 13 21.194 11.005 -0.198
102 H TYR 14 H TYR 14 17.255 11.696 1.945
103 HA TYR 14 HA TYR 14 17.099 14.452 2.588
104 HB2 TYR 14 2HB TYR 14 15.385 12.335 2.782
105 HB3 TYR 14 3HB TYR 14 15.825 12.579 4.469
106 HD1 TYR 14 HD2 TYR 14 14.519 14.365 1.478
107 HD2 TYR 14 HD1 TYR 14 14.803 14.268 5.723
108 HE1 TYR 14 HE2 TYR 14 12.909 16.219 1.623
109 HE2 TYR 14 HE1 TYR 14 13.192 16.120 5.879
110 HH TYR 14 HH TYR 14 12.510 18.151 3.718
111 H THR 15 H THR 15 18.641 11.704 4.095
112 HA THR 15 HA THR 15 19.163 13.029 6.588
113 HB THR 15 HB THR 15 20.368 10.511 5.425
114 HG1 THR 15 HG1 THR 15 17.990 10.748 6.098
115 HG21 THR 15 1HG2 THR 15 20.705 10.208 8.050
116 HG22 THR 15 2HG2 THR 15 20.805 11.967 7.976
117 HG23 THR 15 3HG2 THR 15 21.919 10.980 7.031
118 H MET 16 H MET 16 20.673 12.900 3.498
119 HA MET 16 HA MET 16 23.273 13.725 4.476
120 HB2 MET 16 2HB MET 16 22.787 12.250 2.408
121 HB3 MET 16 3HB MET 16 22.415 13.765 1.596
122 HG2 MET 16 2HG MET 16 24.602 13.597 1.047
123 HG3 MET 16 3HG MET 16 24.770 14.448 2.581
124 HE1 MET 16 3HE MET 16 26.663 12.727 0.749
125 HE2 MET 16 1HE MET 16 27.618 13.083 2.189
126 HE3 MET 16 2HE MET 16 27.446 11.417 1.635
127 H VAL 17 H VAL 17 20.367 15.177 3.292
128 HA VAL 17 HA VAL 17 21.551 17.700 2.592
129 HB VAL 17 HB VAL 17 18.652 17.001 3.081
130 HG11 VAL 17 1HG1 VAL 17 20.017 19.464 2.062
131 HG12 VAL 17 2HG1 VAL 17 18.373 19.068 1.559
132 HG13 VAL 17 3HG1 VAL 17 18.738 19.316 3.267
133 HG21 VAL 17 3HG2 VAL 17 20.320 16.142 1.041
134 HG22 VAL 17 1HG2 VAL 17 18.556 16.148 1.025
135 HG23 VAL 17 2HG2 VAL 17 19.449 17.506 0.340
136 H LEU 18 H LEU 18 19.828 16.378 5.376
137 HA LEU 18 HA LEU 18 19.727 18.860 6.793
138 HB2 LEU 18 2HB LEU 18 18.688 17.696 8.495
139 HB3 LEU 18 3HB LEU 18 18.239 16.774 7.061
140 HG LEU 18 HG LEU 18 20.393 15.376 7.782
141 HD11 LEU 18 1HD1 LEU 18 21.146 15.763 9.828
142 HD12 LEU 18 2HD1 LEU 18 19.532 15.529 10.498
143 HD13 LEU 18 3HD1 LEU 18 20.039 17.130 9.960
144 HD21 LEU 18 3HD2 LEU 18 18.926 13.750 8.624
145 HD22 LEU 18 1HD2 LEU 18 17.954 14.693 7.495
146 HD23 LEU 18 2HD2 LEU 18 17.794 14.959 9.231
147 H HIS 19 H HIS 19 21.978 16.205 6.577
148 HA HIS 19 HA HIS 19 23.486 16.868 8.905
149 HB2 HIS 19 2HB HIS 19 23.715 14.642 8.171
150 HB3 HIS 19 3HB HIS 19 24.007 15.129 6.504
151 HD1 HIS 19 HD1 HIS 19 26.401 16.141 5.990
152 HD2 HIS 19 HD2 HIS 19 25.960 14.416 9.743
153 HE1 HIS 19 HE1 HIS 19 28.739 15.804 6.854
154 H LYS 20 H LYS 20 24.109 17.325 5.425
155 HA LYS 20 HA LYS 20 26.428 18.922 5.847
156 HB2 LYS 20 2HB LYS 20 26.211 17.718 3.780
157 HB3 LYS 20 3HB LYS 20 24.673 18.495 3.426
158 HG2 LYS 20 2HG LYS 20 26.644 20.515 3.789
159 HG3 LYS 20 3HG LYS 20 27.267 19.306 2.664
160 HD2 LYS 20 2HD LYS 20 26.129 20.574 1.166
161 HD3 LYS 20 3HD LYS 20 24.785 19.558 1.693
162 HE2 LYS 20 2HE LYS 20 24.125 21.894 1.675
163 HE3 LYS 20 3HE LYS 20 24.143 21.274 3.325
164 HZ1 LYS 20 3HZ LYS 20 25.609 23.430 2.213
165 HZ2 LYS 20 1HZ LYS 20 26.667 22.285 2.871
166 HZ3 LYS 20 2HZ LYS 20 25.455 22.968 3.833
Start of MODEL 19
1 H1 ASN 1 H ASN 1 7.249 4.501 -3.675
2 HA ASN 1 HA ASN 1 6.069 4.202 -1.704
3 HB2 ASN 1 2HB ASN 1 4.502 6.016 -2.490
4 HB3 ASN 1 3HB ASN 1 3.540 4.759 -3.262
5 HD21 ASN 1 1HD2 ASN 1 2.014 3.810 -2.105
6 HD22 ASN 1 2HD2 ASN 1 1.844 3.911 -0.389
7 H SER 2 H SER 2 6.982 2.130 -3.060
8 HA SER 2 HA SER 2 4.933 0.106 -2.632
9 HB2 SER 2 2HB SER 2 5.289 0.966 -5.185
10 HB3 SER 2 3HB SER 2 6.483 -0.329 -5.111
11 HG SER 2 HG SER 2 3.693 -0.484 -4.679
12 H GLY 3 H GLY 3 8.232 0.441 -3.964
13 HA2 GLY 3 2HA GLY 3 9.081 -1.991 -2.659
14 HA3 GLY 3 3HA GLY 3 10.080 -0.924 -3.635
15 H LEU 4 H LEU 4 11.587 0.200 -2.601
16 HA LEU 4 HA LEU 4 11.162 1.342 -0.014
17 HB2 LEU 4 2HB LEU 4 13.249 0.079 0.890
18 HB3 LEU 4 3HB LEU 4 11.652 -0.661 0.987
19 HG LEU 4 HG LEU 4 13.030 -1.382 -1.462
20 HD11 LEU 4 1HD1 LEU 4 14.508 -2.996 0.067
21 HD12 LEU 4 2HD1 LEU 4 14.494 -1.568 1.100
22 HD13 LEU 4 3HD1 LEU 4 15.101 -1.455 -0.552
23 HD21 LEU 4 3HD2 LEU 4 11.052 -2.400 0.077
24 HD22 LEU 4 1HD2 LEU 4 12.413 -3.397 0.588
25 HD23 LEU 4 2HD2 LEU 4 11.961 -3.331 -1.115
26 H SER 5 H SER 5 12.032 2.030 -2.764
27 HA SER 5 HA SER 5 14.808 2.831 -2.423
28 HB2 SER 5 2HB SER 5 14.554 3.728 -4.744
29 HB3 SER 5 3HB SER 5 14.187 2.008 -4.612
30 HG SER 5 HG SER 5 12.506 4.155 -5.149
31 H PHE 6 H PHE 6 11.600 4.237 -2.447
32 HA PHE 6 HA PHE 6 12.453 6.954 -2.516
33 HB2 PHE 6 2HB PHE 6 9.905 5.507 -2.142
34 HB3 PHE 6 3HB PHE 6 9.992 7.089 -1.374
35 HD1 PHE 6 HD2 PHE 6 10.566 5.388 -4.630
36 HD2 PHE 6 HD1 PHE 6 9.564 8.997 -2.609
37 HE1 PHE 6 HE2 PHE 6 10.073 6.457 -6.791
38 HE2 PHE 6 HE1 PHE 6 9.068 10.071 -4.766
39 HZ PHE 6 HZ PHE 6 9.323 8.802 -6.861
40 H GLU 7 H GLU 7 11.572 4.709 0.071
41 HA GLU 7 HA GLU 7 11.792 6.617 2.169
42 HB2 GLU 7 2HB GLU 7 11.743 3.607 2.102
43 HB3 GLU 7 3HB GLU 7 11.964 4.494 3.604
44 HG2 GLU 7 2HG GLU 7 9.688 5.371 1.975
45 HG3 GLU 7 3HG GLU 7 9.572 3.728 2.605
46 H GLU 8 H GLU 8 14.060 4.652 0.447
47 HA GLU 8 HA GLU 8 16.142 4.824 2.424
48 HB2 GLU 8 2HB GLU 8 15.763 3.555 -0.182
49 HB3 GLU 8 3HB GLU 8 17.383 4.201 0.038
50 HG2 GLU 8 2HG GLU 8 17.724 2.880 1.992
51 HG3 GLU 8 3HG GLU 8 16.037 2.371 2.007
52 HNA MK8 9 H MK8 9 15.152 6.671 -0.476
53 HB MK8 9 2HB MK8 9 15.091 8.323 -2.121
54 HBA MK8 9 3HB MK8 9 16.065 9.786 -2.071
55 HD MK8 9 2HD MK8 9 18.102 9.247 -4.555
56 HDA MK8 9 3HD MK8 9 18.144 9.965 -2.933
57 HE MK8 9 HE MK8 9 19.873 7.976 -2.202
58 HG MK8 9 2HG MK8 9 17.514 7.152 -2.685
59 HGA MK8 9 3HG MK8 9 16.446 7.801 -3.928
60 HB1 MK8 9 HBA MK8 9 18.642 9.000 -0.947
61 HB1A MK8 9 HGA MK8 9 18.572 8.438 0.442
62 HB1B MK8 9 HDA MK8 9 18.618 7.515 -0.739
63 H TYR 10 H TYR 10 14.780 7.932 1.065
64 HA TYR 10 HA TYR 10 14.449 10.674 1.975
65 HB2 TYR 10 2HB TYR 10 12.467 9.295 1.429
66 HB3 TYR 10 3HB TYR 10 12.900 8.185 2.725
67 HD1 TYR 10 HD2 TYR 10 12.911 11.913 2.658
68 HD2 TYR 10 HD1 TYR 10 11.216 8.380 4.315
69 HE1 TYR 10 HE2 TYR 10 11.631 13.282 4.251
70 HE2 TYR 10 HE1 TYR 10 9.930 9.739 5.912
71 HH TYR 10 HH TYR 10 9.301 11.816 6.474
72 H ARG 11 H ARG 11 16.374 8.136 2.814
73 HA ARG 11 HA ARG 11 16.642 9.140 5.563
74 HB2 ARG 11 2HB ARG 11 15.467 6.812 5.234
75 HB3 ARG 11 3HB ARG 11 17.112 6.242 4.985
76 HG2 ARG 11 2HG ARG 11 17.721 7.208 7.189
77 HG3 ARG 11 3HG ARG 11 16.019 7.603 7.436
78 HD2 ARG 11 2HD ARG 11 15.945 4.951 6.708
79 HD3 ARG 11 3HD ARG 11 17.409 5.053 7.685
80 HE ARG 11 HE ARG 11 15.407 6.384 9.072
81 HH11 ARG 11 1HH1 ARG 11 16.082 3.156 7.955
82 HH12 ARG 11 2HH1 ARG 11 15.207 2.389 9.238
83 HH21 ARG 11 1HH2 ARG 11 14.252 5.385 10.767
84 HH22 ARG 11 2HH2 ARG 11 14.166 3.657 10.837
85 H ASN 12 H ASN 12 18.055 8.806 2.648
86 HA ASN 12 HA ASN 12 20.749 8.719 3.830
87 HB2 ASN 12 2HB ASN 12 20.066 7.616 1.101
88 HB3 ASN 12 3HB ASN 12 21.595 7.473 1.964
89 HD21 ASN 12 1HD2 ASN 12 20.061 5.337 0.902
90 HD22 ASN 12 2HD2 ASN 12 19.574 4.337 2.224
91 HNA MK8 13 H MK8 13 18.514 10.115 1.440
92 HB MK8 13 2HB MK8 13 18.206 10.917 -0.739
93 HBA MK8 13 3HB MK8 13 18.186 12.675 -0.768
94 HD MK8 13 2HD MK8 13 21.768 10.847 -1.754
95 HDA MK8 13 3HD MK8 13 20.420 9.802 -1.264
96 HE MK8 13 HE MK8 13 20.173 10.660 -4.115
97 HG MK8 13 2HG MK8 13 19.224 11.794 -2.865
98 HGA MK8 13 3HG MK8 13 20.419 12.708 -1.948
99 HB1 MK8 13 HBA MK8 13 21.690 12.465 1.147
100 HB1A MK8 13 HGA MK8 13 21.723 11.362 0.131
101 HB1B MK8 13 HDA MK8 13 21.396 12.763 -0.293
102 H TYR 14 H TYR 14 17.554 11.688 1.904
103 HA TYR 14 HA TYR 14 17.108 14.406 2.563
104 HB2 TYR 14 2HB TYR 14 15.704 11.938 2.809
105 HB3 TYR 14 3HB TYR 14 15.715 12.716 4.388
106 HD1 TYR 14 HD2 TYR 14 14.781 13.191 0.836
107 HD2 TYR 14 HD1 TYR 14 14.348 14.595 4.829
108 HE1 TYR 14 HE2 TYR 14 12.954 14.671 0.112
109 HE2 TYR 14 HE1 TYR 14 12.520 16.077 4.116
110 HH TYR 14 HH TYR 14 11.491 16.996 2.311
111 H THR 15 H THR 15 18.706 11.759 4.195
112 HA THR 15 HA THR 15 18.880 13.077 6.736
113 HB THR 15 HB THR 15 20.407 10.695 5.667
114 HG1 THR 15 HG1 THR 15 18.884 9.527 6.904
115 HG21 THR 15 1HG2 THR 15 20.689 10.276 8.189
116 HG22 THR 15 2HG2 THR 15 20.310 11.988 8.376
117 HG23 THR 15 3HG2 THR 15 21.717 11.494 7.436
118 H MET 16 H MET 16 20.694 13.128 3.808
119 HA MET 16 HA MET 16 23.105 14.153 5.043
120 HB2 MET 16 2HB MET 16 22.921 12.688 2.906
121 HB3 MET 16 3HB MET 16 22.543 14.202 2.094
122 HG2 MET 16 2HG MET 16 24.719 15.040 3.256
123 HG3 MET 16 3HG MET 16 25.085 13.320 3.373
124 HE1 MET 16 3HE MET 16 27.057 13.447 2.327
125 HE2 MET 16 1HE MET 16 26.687 12.297 1.041
126 HE3 MET 16 2HE MET 16 27.430 13.848 0.650
127 H VAL 17 H VAL 17 20.212 15.380 3.602
128 HA VAL 17 HA VAL 17 21.238 18.007 3.052
129 HB VAL 17 HB VAL 17 18.374 17.065 3.253
130 HG11 VAL 17 1HG1 VAL 17 18.140 19.138 1.676
131 HG12 VAL 17 2HG1 VAL 17 18.181 19.352 3.427
132 HG13 VAL 17 3HG1 VAL 17 19.629 19.655 2.466
133 HG21 VAL 17 3HG2 VAL 17 20.326 16.439 1.348
134 HG22 VAL 17 1HG2 VAL 17 18.586 16.179 1.226
135 HG23 VAL 17 2HG2 VAL 17 19.303 17.662 0.597
136 H LEU 18 H LEU 18 19.374 16.490 5.639
137 HA LEU 18 HA LEU 18 18.929 18.925 7.070
138 HB2 LEU 18 2HB LEU 18 17.835 17.644 8.649
139 HB3 LEU 18 3HB LEU 18 17.605 16.717 7.167
140 HG LEU 18 HG LEU 18 19.791 15.489 8.076
141 HD11 LEU 18 1HD1 LEU 18 18.876 17.087 10.301
142 HD12 LEU 18 2HD1 LEU 18 20.342 16.122 10.132
143 HD13 LEU 18 3HD1 LEU 18 18.848 15.365 10.684
144 HD21 LEU 18 3HD2 LEU 18 17.036 14.901 9.147
145 HD22 LEU 18 1HD2 LEU 18 18.356 13.757 8.904
146 HD23 LEU 18 2HD2 LEU 18 17.574 14.509 7.513
147 H HIS 19 H HIS 19 21.408 16.471 7.040
148 HA HIS 19 HA HIS 19 22.625 17.208 9.511
149 HB2 HIS 19 2HB HIS 19 23.112 15.025 8.771
150 HB3 HIS 19 3HB HIS 19 23.520 15.572 7.148
151 HD1 HIS 19 HD1 HIS 19 25.857 16.793 6.884
152 HD2 HIS 19 HD2 HIS 19 25.208 14.952 10.551
153 HE1 HIS 19 HE1 HIS 19 28.121 16.633 7.966
154 H LYS 20 H LYS 20 23.552 17.779 6.115
155 HA LYS 20 HA LYS 20 25.675 19.552 6.774
156 HB2 LYS 20 2HB LYS 20 25.782 18.425 4.677
157 HB3 LYS 20 3HB LYS 20 24.187 19.000 4.209
158 HG2 LYS 20 2HG LYS 20 25.955 21.206 4.770
159 HG3 LYS 20 3HG LYS 20 26.642 20.127 3.555
160 HD2 LYS 20 2HD LYS 20 25.387 21.364 2.142
161 HD3 LYS 20 3HD LYS 20 24.099 20.279 2.672
162 HE2 LYS 20 2HE LYS 20 23.048 21.894 3.843
163 HE3 LYS 20 3HE LYS 20 24.557 22.622 4.392
164 HZ1 LYS 20 3HZ LYS 20 23.933 22.907 1.563
165 HZ2 LYS 20 1HZ LYS 20 24.631 24.013 2.636
166 HZ3 LYS 20 2HZ LYS 20 22.956 23.778 2.635
Start of MODEL 20
1 H1 ASN 1 H ASN 1 6.833 4.874 -5.532
2 HA ASN 1 HA ASN 1 6.496 3.905 -7.632
3 HB2 ASN 1 2HB ASN 1 9.508 3.877 -7.575
4 HB3 ASN 1 3HB ASN 1 8.442 4.282 -8.917
5 HD21 ASN 1 1HD2 ASN 1 10.485 5.547 -6.724
6 HD22 ASN 1 2HD2 ASN 1 9.867 7.157 -6.627
7 H SER 2 H SER 2 9.432 2.273 -6.431
8 HA SER 2 HA SER 2 8.461 -0.225 -7.599
9 HB2 SER 2 2HB SER 2 10.965 0.930 -7.564
10 HB3 SER 2 3HB SER 2 11.087 -0.291 -6.297
11 HG SER 2 HG SER 2 11.102 -0.623 -8.954
12 H GLY 3 H GLY 3 10.009 0.807 -4.548
13 HA2 GLY 3 2HA GLY 3 8.148 -0.261 -2.805
14 HA3 GLY 3 3HA GLY 3 9.270 -1.567 -3.159
15 H LEU 4 H LEU 4 8.608 0.550 -0.872
16 HA LEU 4 HA LEU 4 9.768 1.727 0.715
17 HB2 LEU 4 2HB LEU 4 11.369 0.431 1.860
18 HB3 LEU 4 3HB LEU 4 10.207 -0.704 1.177
19 HG LEU 4 HG LEU 4 12.608 -0.192 -0.458
20 HD11 LEU 4 1HD1 LEU 4 13.678 -0.212 1.684
21 HD12 LEU 4 2HD1 LEU 4 13.953 -1.772 0.910
22 HD13 LEU 4 3HD1 LEU 4 12.748 -1.623 2.189
23 HD21 LEU 4 3HD2 LEU 4 12.188 -2.273 -1.237
24 HD22 LEU 4 1HD2 LEU 4 10.580 -1.940 -0.591
25 HD23 LEU 4 2HD2 LEU 4 11.728 -2.894 0.349
26 H SER 5 H SER 5 10.324 2.603 -1.953
27 HA SER 5 HA SER 5 13.186 3.186 -1.953
28 HB2 SER 5 2HB SER 5 12.710 2.750 -4.140
29 HB3 SER 5 3HB SER 5 11.020 3.226 -3.975
30 HG SER 5 HG SER 5 12.772 4.609 -5.167
31 H PHE 6 H PHE 6 10.143 4.659 -1.249
32 HA PHE 6 HA PHE 6 11.132 7.368 -1.384
33 HB2 PHE 6 2HB PHE 6 8.902 7.936 -0.393
34 HB3 PHE 6 3HB PHE 6 8.808 7.025 -1.897
35 HD1 PHE 6 HD1 PHE 6 8.495 6.777 1.772
36 HD2 PHE 6 HD2 PHE 6 7.769 4.910 -1.984
37 HE1 PHE 6 HE1 PHE 6 7.076 5.102 2.883
38 HE2 PHE 6 HE2 PHE 6 6.348 3.233 -0.879
39 HZ PHE 6 HZ PHE 6 6.000 3.328 1.557
40 H GLU 7 H GLU 7 10.766 4.875 1.014
41 HA GLU 7 HA GLU 7 11.196 6.676 3.239
42 HB2 GLU 7 2HB GLU 7 9.788 4.511 3.247
43 HB3 GLU 7 3HB GLU 7 11.329 3.676 3.380
44 HG2 GLU 7 2HG GLU 7 10.691 3.857 5.577
45 HG3 GLU 7 3HG GLU 7 11.734 5.265 5.384
46 H GLU 8 H GLU 8 13.068 4.616 1.172
47 HA GLU 8 HA GLU 8 15.373 4.558 2.905
48 HB2 GLU 8 2HB GLU 8 16.428 3.264 1.227
49 HB3 GLU 8 3HB GLU 8 14.748 2.744 1.246
50 HG2 GLU 8 2HG GLU 8 14.318 4.233 -0.687
51 HG3 GLU 8 3HG GLU 8 16.042 4.596 -0.740
52 HNA MK8 9 H MK8 9 14.193 6.524 0.169
53 HB MK8 9 2HB MK8 9 13.976 8.248 -1.324
54 HBA MK8 9 3HB MK8 9 15.038 9.649 -1.369
55 HD MK8 9 2HD MK8 9 16.520 9.245 -4.225
56 HDA MK8 9 3HD MK8 9 16.965 9.750 -2.583
57 HE MK8 9 HE MK8 9 18.662 7.665 -2.440
58 HG MK8 9 2HG MK8 9 16.115 6.994 -2.481
59 HGA MK8 9 3HG MK8 9 14.895 7.850 -3.420
60 HB1 MK8 9 HBA MK8 9 17.773 8.527 -0.839
61 HB1A MK8 9 HGA MK8 9 17.893 7.692 0.402
62 HB1B MK8 9 HDA MK8 9 17.546 7.046 -0.907
63 H TYR 10 H TYR 10 13.920 8.121 1.512
64 HA TYR 10 HA TYR 10 14.207 10.719 2.590
65 HB2 TYR 10 2HB TYR 10 12.059 9.553 2.589
66 HB3 TYR 10 3HB TYR 10 12.705 8.326 3.672
67 HD1 TYR 10 HD2 TYR 10 11.987 11.970 3.453
68 HD2 TYR 10 HD1 TYR 10 12.549 8.599 5.987
69 HE1 TYR 10 HE2 TYR 10 11.277 13.313 5.387
70 HE2 TYR 10 HE1 TYR 10 11.839 9.933 7.929
71 HH TYR 10 HH TYR 10 10.174 12.341 7.995
72 H ARG 11 H ARG 11 15.923 7.876 3.159
73 HA ARG 11 HA ARG 11 16.939 8.944 5.711
74 HB2 ARG 11 2HB ARG 11 15.600 6.707 5.711
75 HB3 ARG 11 3HB ARG 11 17.070 6.026 5.028
76 HG2 ARG 11 2HG ARG 11 17.736 5.725 7.125
77 HG3 ARG 11 3HG ARG 11 17.987 7.471 7.185
78 HD2 ARG 11 2HD ARG 11 15.900 7.843 8.202
79 HD3 ARG 11 3HD ARG 11 15.324 6.226 7.797
80 HE ARG 11 HE ARG 11 16.299 5.452 9.709
81 HH11 ARG 11 1HH1 ARG 11 17.704 8.534 8.904
82 HH12 ARG 11 2HH1 ARG 11 18.628 8.642 10.366
83 HH21 ARG 11 1HH2 ARG 11 17.510 5.583 11.638
84 HH22 ARG 11 2HH2 ARG 11 18.517 6.962 11.920
85 H ASN 12 H ASN 12 17.654 8.560 2.559
86 HA ASN 12 HA ASN 12 20.528 8.545 3.104
87 HB2 ASN 12 2HB ASN 12 19.335 6.282 2.146
88 HB3 ASN 12 3HB ASN 12 19.781 7.096 0.650
89 HD21 ASN 12 1HD2 ASN 12 20.869 5.320 3.345
90 HD22 ASN 12 2HD2 ASN 12 22.550 5.298 2.945
91 HNA MK8 13 H MK8 13 18.456 10.639 2.358
92 HB MK8 13 2HB MK8 13 17.580 10.491 -0.531
93 HBA MK8 13 3HB MK8 13 17.277 12.217 -0.667
94 HD MK8 13 2HD MK8 13 20.703 10.404 -2.252
95 HDA MK8 13 3HD MK8 13 19.384 9.418 -1.590
96 HE MK8 13 HE MK8 13 18.677 10.459 -4.295
97 HG MK8 13 2HG MK8 13 18.096 11.597 -2.850
98 HGA MK8 13 3HG MK8 13 19.490 12.356 -2.085
99 HB1 MK8 13 HBA MK8 13 21.197 12.186 0.684
100 HB1A MK8 13 HGA MK8 13 20.932 11.354 -0.536
101 HB1B MK8 13 HDA MK8 13 20.620 12.821 -0.546
102 H TYR 14 H TYR 14 17.031 11.755 1.903
103 HA TYR 14 HA TYR 14 16.808 14.574 2.368
104 HB2 TYR 14 2HB TYR 14 15.036 12.481 2.390
105 HB3 TYR 14 3HB TYR 14 15.235 12.806 4.109
106 HD1 TYR 14 HD1 TYR 14 14.762 14.753 0.946
107 HD2 TYR 14 HD2 TYR 14 13.736 14.276 5.048
108 HE1 TYR 14 HE1 TYR 14 13.189 16.636 0.766
109 HE2 TYR 14 HE2 TYR 14 12.160 16.157 4.878
110 HH TYR 14 HH TYR 14 12.171 18.348 2.425
111 H THR 15 H THR 15 18.392 11.975 3.928
112 HA THR 15 HA THR 15 18.532 13.341 6.500
113 HB THR 15 HB THR 15 19.682 10.688 5.614
114 HG1 THR 15 HG1 THR 15 17.686 10.984 7.568
115 HG21 THR 15 1HG2 THR 15 21.092 11.112 7.347
116 HG22 THR 15 2HG2 THR 15 19.710 10.557 8.292
117 HG23 THR 15 3HG2 THR 15 20.002 12.284 8.088
118 H MET 16 H MET 16 20.382 12.929 3.624
119 HA MET 16 HA MET 16 22.896 13.670 4.860
120 HB2 MET 16 2HB MET 16 22.569 12.088 2.842
121 HB3 MET 16 3HB MET 16 22.383 13.561 1.900
122 HG2 MET 16 2HG MET 16 24.645 14.192 3.105
123 HG3 MET 16 3HG MET 16 24.788 12.439 3.221
124 HE1 MET 16 3HE MET 16 25.075 10.925 1.686
125 HE2 MET 16 1HE MET 16 24.217 11.060 0.150
126 HE3 MET 16 2HE MET 16 25.974 11.204 0.194
127 H VAL 17 H VAL 17 20.249 15.198 3.243
128 HA VAL 17 HA VAL 17 21.671 17.602 2.557
129 HB VAL 17 HB VAL 17 18.705 17.036 2.662
130 HG11 VAL 17 1HG1 VAL 17 18.870 19.109 1.003
131 HG12 VAL 17 2HG1 VAL 17 18.654 19.308 2.743
132 HG13 VAL 17 3HG1 VAL 17 20.257 19.481 2.027
133 HG21 VAL 17 3HG2 VAL 17 20.544 16.025 0.921
134 HG22 VAL 17 1HG2 VAL 17 18.835 16.267 0.558
135 HG23 VAL 17 2HG2 VAL 17 20.019 17.484 0.081
136 H LEU 18 H LEU 18 19.524 16.556 5.156
137 HA LEU 18 HA LEU 18 19.386 19.126 6.401
138 HB2 LEU 18 2HB LEU 18 18.059 18.134 8.002
139 HB3 LEU 18 3HB LEU 18 17.766 17.123 6.589
140 HG LEU 18 HG LEU 18 19.724 15.696 7.698
141 HD11 LEU 18 1HD1 LEU 18 19.048 15.715 10.225
142 HD12 LEU 18 2HD1 LEU 18 18.611 17.389 9.884
143 HD13 LEU 18 3HD1 LEU 18 20.264 16.838 9.614
144 HD21 LEU 18 3HD2 LEU 18 17.013 15.420 8.918
145 HD22 LEU 18 1HD2 LEU 18 18.101 14.178 8.296
146 HD23 LEU 18 2HD2 LEU 18 17.211 15.212 7.177
147 H HIS 19 H HIS 19 21.494 16.359 6.631
148 HA HIS 19 HA HIS 19 22.722 17.086 9.100
149 HB2 HIS 19 2HB HIS 19 22.924 14.813 8.518
150 HB3 HIS 19 3HB HIS 19 23.457 15.189 6.882
151 HD1 HIS 19 HD1 HIS 19 25.948 16.057 6.640
152 HD2 HIS 19 HD2 HIS 19 24.929 14.573 10.385
153 HE1 HIS 19 HE1 HIS 19 28.132 15.662 7.824
154 H LYS 20 H LYS 20 23.828 17.298 5.717
155 HA LYS 20 HA LYS 20 26.155 18.803 6.352
156 HB2 LYS 20 2HB LYS 20 26.172 17.533 4.335
157 HB3 LYS 20 3HB LYS 20 24.689 18.289 3.767
158 HG2 LYS 20 2HG LYS 20 26.728 20.265 4.263
159 HG3 LYS 20 3HG LYS 20 27.298 19.022 3.147
160 HD2 LYS 20 2HD LYS 20 26.274 20.322 1.609
161 HD3 LYS 20 3HD LYS 20 24.832 19.461 2.150
162 HE2 LYS 20 2HE LYS 20 23.964 21.287 3.131
163 HE3 LYS 20 3HE LYS 20 25.524 21.807 3.766
164 HZ1 LYS 20 3HZ LYS 20 24.387 22.302 1.081
165 HZ2 LYS 20 1HZ LYS 20 26.039 22.488 1.399
166 HZ3 LYS 20 2HZ LYS 20 24.906 23.433 2.226