Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
630456 | 6cos RC | 30431 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 0.381 -9.504 -6.136
2 H2 GLU 1 HT2 GLU 1 -0.012 -8.006 -5.439
3 H3 GLU 1 HT3 GLU 1 -1.061 -8.718 -6.571
4 HA GLU 1 HA GLU 1 -1.830 -10.274 -5.141
5 HB2 GLU 1 HB2 GLU 1 -0.661 -10.962 -3.044
6 HB3 GLU 1 HB1 GLU 1 0.399 -11.159 -4.484
7 HG2 GLU 1 HG2 GLU 1 1.515 -8.945 -3.950
8 HG3 GLU 1 HG1 GLU 1 0.493 -8.815 -2.464
9 H MET 2 HN MET 2 -1.914 -7.188 -5.275
10 HA MET 2 HA MET 2 -3.360 -6.923 -2.770
11 HB2 MET 2 HB2 MET 2 -0.987 -5.308 -3.588
12 HB3 MET 2 HB1 MET 2 -2.409 -4.346 -3.063
13 HG2 MET 2 HG2 MET 2 -0.548 -6.103 -1.482
14 HG3 MET 2 HG1 MET 2 -1.336 -4.551 -1.065
15 HE1 MET 2 HE1 MET 2 -3.771 -4.532 -1.582
16 HE2 MET 2 HE2 MET 2 -4.558 -4.888 -0.008
17 HE3 MET 2 HE3 MET 2 -4.923 -5.901 -1.450
18 H ARG 3 HN ARG 3 -4.368 -4.490 -2.944
19 HA ARG 3 HA ARG 3 -5.716 -4.553 -5.456
20 HB2 ARG 3 HB2 ARG 3 -6.865 -5.383 -3.240
21 HB3 ARG 3 HB1 ARG 3 -6.801 -3.624 -2.827
22 HG2 ARG 3 HG2 ARG 3 -7.980 -4.396 -5.509
23 HG3 ARG 3 HG1 ARG 3 -8.953 -4.746 -4.034
24 HD2 ARG 3 HD2 ARG 3 -7.709 -2.064 -3.882
25 HD3 ARG 3 HD1 ARG 3 -8.754 -2.233 -5.367
26 HE ARG 3 HE ARG 3 -10.182 -3.337 -3.126
27 HH11 ARG 3 HH11 ARG 3 -8.910 -0.253 -4.369
28 HH12 ARG 3 HH12 ARG 3 -10.124 0.729 -3.621
29 HH21 ARG 3 HH21 ARG 3 -11.838 -2.003 -2.107
30 HH22 ARG 3 HH22 ARG 3 -11.818 -0.284 -2.312
31 H LEU 4 HN LEU 4 -4.229 -3.019 -2.869
32 HA LEU 4 HA LEU 4 -5.121 -0.440 -3.393
33 HB2 LEU 4 HB2 LEU 4 -2.465 -0.611 -2.332
34 HB3 LEU 4 HB1 LEU 4 -3.910 0.057 -1.562
35 HG LEU 4 HG LEU 4 -3.311 -2.845 -1.736
36 HD11 LEU 4 HD11 LEU 4 -2.886 -1.843 0.927
37 HD12 LEU 4 HD12 LEU 4 -1.952 -0.836 -0.265
38 HD13 LEU 4 HD13 LEU 4 -1.728 -2.627 -0.230
39 HD21 LEU 4 HD21 LEU 4 -4.935 -2.698 0.396
40 HD22 LEU 4 HD22 LEU 4 -5.584 -2.772 -1.296
41 HD23 LEU 4 HD23 LEU 4 -5.476 -1.184 -0.431
42 H SER 5 HN SER 5 -2.454 -2.395 -3.822
43 HA SER 5 HA SER 5 -0.456 -1.176 -4.614
44 HB2 SER 5 HB2 SER 5 0.345 -3.157 -5.059
45 HB3 SER 5 HB1 SER 5 -1.326 -3.675 -4.559
46 HG SER 5 HG SER 5 -0.462 -3.141 -7.241
47 H LYS 6 HN LYS 6 -3.130 -0.668 -6.573
48 HA LYS 6 HA LYS 6 -1.458 0.245 -8.747
49 HB2 LYS 6 HB2 LYS 6 -4.371 0.912 -7.953
50 HB3 LYS 6 HB1 LYS 6 -3.552 1.443 -9.465
51 HG2 LYS 6 HG2 LYS 6 -3.361 -0.908 -10.230
52 HG3 LYS 6 HG1 LYS 6 -4.098 -1.490 -8.695
53 HD2 LYS 6 HD2 LYS 6 -6.186 -0.248 -9.219
54 HD3 LYS 6 HD1 LYS 6 -5.462 0.350 -10.752
55 HE2 LYS 6 HE2 LYS 6 -5.269 -2.015 -11.588
56 HE3 LYS 6 HE1 LYS 6 -5.996 -2.616 -10.039
57 HZ1 LYS 6 HZ1 LYS 6 -7.943 -1.227 -10.555
58 HZ2 LYS 6 HZ2 LYS 6 -7.659 -2.453 -11.694
59 HZ3 LYS 6 HZ3 LYS 6 -7.263 -0.844 -12.062
60 H PHE 7 HN PHE 7 -1.761 0.451 -5.488
61 HA PHE 7 HA PHE 7 -2.136 3.207 -4.991
62 HB2 PHE 7 HB2 PHE 7 -3.147 1.274 -3.932
63 HB3 PHE 7 HB1 PHE 7 -1.635 0.833 -3.184
64 HD1 PHE 7 HD1 PHE 7 -4.573 1.558 -2.432
65 HD2 PHE 7 HD2 PHE 7 -0.789 3.380 -2.362
66 HE1 PHE 7 HE1 PHE 7 -4.998 2.478 -0.266
67 HE2 PHE 7 HE2 PHE 7 -1.048 4.330 -0.380
68 HZ PHE 7 HZ PHE 7 -3.297 3.980 0.872
69 H PHE 8 HN PHE 8 -0.177 0.609 -3.647
70 HA PHE 8 HA PHE 8 1.223 2.681 -2.330
71 HB2 PHE 8 HB2 PHE 8 2.635 0.556 -1.567
72 HB3 PHE 8 HB1 PHE 8 1.090 0.917 -0.754
73 HD1 PHE 8 HD1 PHE 8 3.081 -1.168 -2.229
74 HD2 PHE 8 HD2 PHE 8 -0.881 -0.070 -1.691
75 HE1 PHE 8 HE1 PHE 8 2.472 -3.284 -2.871
76 HE2 PHE 8 HE2 PHE 8 -1.536 -2.243 -2.371
77 HZ PHE 8 HZ PHE 8 0.141 -3.866 -2.919
78 H ARG 9 HN ARG 9 1.152 0.131 -4.345
79 HA ARG 9 HA ARG 9 3.822 0.080 -4.805
80 HB2 ARG 9 HB2 ARG 9 1.323 -1.055 -5.787
81 HB3 ARG 9 HB1 ARG 9 2.615 -0.933 -7.058
82 HG2 ARG 9 HG2 ARG 9 3.188 -2.206 -4.347
83 HG3 ARG 9 HG1 ARG 9 2.328 -3.153 -5.606
84 HD2 ARG 9 HD2 ARG 9 5.001 -1.721 -6.155
85 HD3 ARG 9 HD1 ARG 9 4.916 -3.421 -5.513
86 HE ARG 9 HE ARG 9 3.189 -3.296 -7.778
87 HH11 ARG 9 HH11 ARG 9 6.629 -2.884 -6.953
88 HH12 ARG 9 HH12 ARG 9 7.222 -3.420 -8.489
89 HH21 ARG 9 HH21 ARG 9 3.994 -4.026 -9.869
90 HH22 ARG 9 HH22 ARG 9 5.697 -4.080 -10.175
91 H ASP 10 HN ASP 10 1.467 2.143 -5.030
92 HA ASP 10 HA ASP 10 2.663 3.204 -7.292
93 HB2 ASP 10 HB2 ASP 10 0.460 2.190 -7.377
94 HB3 ASP 10 HB1 ASP 10 -0.067 3.735 -6.614
95 H DPN 11 HN DPN 11 2.307 3.679 -3.993
96 HA DPN 11 HA DPN 11 2.015 6.534 -4.472
97 HB2 DPN 11 HB1 DPN 11 4.524 6.272 -3.238
98 HB3 DPN 11 HB2 DPN 11 4.181 6.988 -4.857
99 HD1 DPN 11 HD1 DPN 11 4.520 5.545 -6.849
100 HD2 DPN 11 HD2 DPN 11 4.937 4.454 -2.874
101 HE1 DPN 11 HE1 DPN 11 4.918 3.192 -7.450
102 HE2 DPN 11 HE2 DPN 11 5.319 2.275 -3.426
103 HZ DPN 11 HZ DPN 11 5.220 1.710 -5.566
104 H ILE 12 HN ILE 12 3.898 4.847 -2.042
105 HA ILE 12 HA ILE 12 3.387 6.740 -0.113
106 HB ILE 12 HB ILE 12 2.495 4.661 1.359
107 HG12 ILE 12 HG12 ILE 12 0.662 3.615 0.076
108 HG13 ILE 12 HG11 ILE 12 1.216 4.506 -1.402
109 HG21 ILE 12 HG21 ILE 12 1.270 6.557 1.884
110 HG22 ILE 12 HG22 ILE 12 0.107 5.949 0.646
111 HG23 ILE 12 HG23 ILE 12 1.346 7.178 0.190
112 HD11 ILE 12 HD11 ILE 12 3.422 3.345 -0.073
113 HD12 ILE 12 HD12 ILE 12 2.859 3.135 -1.746
114 HD13 ILE 12 HD13 ILE 12 2.219 2.131 -0.371
115 H LEU 13 HN LEU 13 4.939 4.307 -1.715
116 HA LEU 13 HA LEU 13 6.645 3.516 0.530
117 HB2 LEU 13 HB2 LEU 13 6.671 2.452 -2.310
118 HB3 LEU 13 HB1 LEU 13 7.202 1.606 -0.811
119 HG LEU 13 HG LEU 13 4.431 2.427 -1.604
120 HD11 LEU 13 HD11 LEU 13 4.582 -0.397 -1.390
121 HD12 LEU 13 HD12 LEU 13 6.071 0.124 -2.275
122 HD13 LEU 13 HD13 LEU 13 4.451 0.617 -2.890
123 HD21 LEU 13 HD21 LEU 13 3.716 1.181 0.446
124 HD22 LEU 13 HD22 LEU 13 4.795 2.599 0.816
125 HD23 LEU 13 HD23 LEU 13 5.453 0.904 0.867
126 H GLN 14 HN GLN 14 6.639 4.420 -2.943
127 HA GLN 14 HA GLN 14 9.468 4.734 -3.003
128 HB2 GLN 14 HB2 GLN 14 7.468 6.308 -4.700
129 HB3 GLN 14 HB1 GLN 14 9.197 5.995 -5.098
130 HG2 GLN 14 HG2 GLN 14 6.868 4.092 -5.022
131 HG3 GLN 14 HG1 GLN 14 7.911 4.485 -6.432
132 HE21 GLN 14 HE21 GLN 14 7.270 2.490 -3.813
133 HE22 GLN 14 HE22 GLN 14 8.724 1.531 -3.784
134 H ARG 15 HN ARG 15 6.794 6.395 -1.770
135 HA ARG 15 HA ARG 15 8.435 8.804 -1.589
136 HB2 ARG 15 HB2 ARG 15 5.655 8.830 -0.459
137 HB3 ARG 15 HB1 ARG 15 6.511 10.106 -1.386
138 HG2 ARG 15 HG2 ARG 15 5.730 9.357 -3.409
139 HG3 ARG 15 HG1 ARG 15 5.832 7.622 -2.929
140 HD2 ARG 15 HD2 ARG 15 3.452 8.276 -3.192
141 HD3 ARG 15 HD1 ARG 15 3.820 7.918 -1.448
142 HE ARG 15 HE ARG 15 3.539 10.244 -0.959
143 HH11 ARG 15 HH11 ARG 15 3.556 9.636 -4.478
144 HH12 ARG 15 HH12 ARG 15 3.000 11.219 -4.907
145 HH21 ARG 15 HH21 ARG 15 2.783 12.390 -1.551
146 HH22 ARG 15 HH22 ARG 15 2.554 12.810 -3.215
147 H LYS 16 HN LYS 16 6.863 6.140 -0.025
148 HA LYS 16 HA LYS 16 7.020 5.219 1.905
149 HB2 LYS 16 HB2 LYS 16 8.828 7.532 2.697
150 HB3 LYS 16 HB1 LYS 16 8.462 6.149 3.768
151 HG2 LYS 16 HG2 LYS 16 9.860 5.952 1.033
152 HG3 LYS 16 HG1 LYS 16 10.696 5.957 2.624
153 HD2 LYS 16 HD2 LYS 16 9.374 3.896 3.278
154 HD3 LYS 16 HD1 LYS 16 8.653 3.875 1.630
155 HE2 LYS 16 HE2 LYS 16 10.941 3.591 0.626
156 HE3 LYS 16 HE1 LYS 16 11.670 3.616 2.286
157 HZ1 LYS 16 HZ1 LYS 16 9.664 1.760 2.407
158 HZ2 LYS 16 HZ2 LYS 16 11.331 1.465 2.282
159 HZ3 LYS 16 HZ3 LYS 16 10.368 1.505 0.884
160 H LYS 17 HN LYS 17 5.372 7.788 1.115
161 HA LYS 17 HA LYS 17 3.698 7.555 3.319
162 HB2 LYS 17 HB2 LYS 17 3.837 10.125 3.940
163 HB3 LYS 17 HB1 LYS 17 4.966 8.970 4.722
164 HG2 LYS 17 HG2 LYS 17 6.507 10.554 4.102
165 HG3 LYS 17 HG1 LYS 17 6.506 9.598 2.587
166 HD2 LYS 17 HD2 LYS 17 4.509 11.291 1.925
167 HD3 LYS 17 HD1 LYS 17 5.297 12.329 3.165
168 HE2 LYS 17 HE2 LYS 17 7.482 12.142 1.934
169 HE3 LYS 17 HE1 LYS 17 6.678 11.099 0.686
170 HZ1 LYS 17 HZ1 LYS 17 5.804 12.863 -0.264
171 HZ2 LYS 17 HZ2 LYS 17 6.863 13.806 0.670
172 HZ3 LYS 17 HZ3 LYS 17 5.270 13.545 1.196
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 0.290 -11.130 -4.369
2 H2 GLU 1 HT2 GLU 1 -0.036 -10.159 -3.014
3 H3 GLU 1 HT3 GLU 1 0.686 -9.478 -4.392
4 HA GLU 1 HA GLU 1 -1.214 -9.501 -5.606
5 HB2 GLU 1 HB2 GLU 1 -1.708 -11.931 -5.181
6 HB3 GLU 1 HB1 GLU 1 -2.346 -11.494 -3.556
7 HG2 GLU 1 HG2 GLU 1 -4.174 -10.142 -4.606
8 HG3 GLU 1 HG1 GLU 1 -3.525 -10.522 -6.251
9 H MET 2 HN MET 2 -1.807 -7.381 -5.243
10 HA MET 2 HA MET 2 -3.333 -6.923 -2.792
11 HB2 MET 2 HB2 MET 2 -0.920 -5.417 -3.771
12 HB3 MET 2 HB1 MET 2 -2.300 -4.428 -3.188
13 HG2 MET 2 HG2 MET 2 -0.366 -6.153 -1.674
14 HG3 MET 2 HG1 MET 2 -1.147 -4.603 -1.241
15 HE1 MET 2 HE1 MET 2 -4.221 -4.849 -0.031
16 HE2 MET 2 HE2 MET 2 -4.783 -6.000 -1.292
17 HE3 MET 2 HE3 MET 2 -3.646 -4.683 -1.724
18 H ARG 3 HN ARG 3 -4.318 -4.593 -3.037
19 HA ARG 3 HA ARG 3 -5.588 -4.636 -5.615
20 HB2 ARG 3 HB2 ARG 3 -6.567 -4.427 -2.810
21 HB3 ARG 3 HB1 ARG 3 -7.527 -3.651 -4.124
22 HG2 ARG 3 HG2 ARG 3 -8.580 -5.763 -3.862
23 HG3 ARG 3 HG1 ARG 3 -7.462 -6.051 -5.245
24 HD2 ARG 3 HD2 ARG 3 -6.208 -7.574 -4.051
25 HD3 ARG 3 HD1 ARG 3 -6.159 -6.493 -2.590
26 HE ARG 3 HE ARG 3 -8.175 -7.522 -1.795
27 HH11 ARG 3 HH11 ARG 3 -7.248 -8.678 -5.040
28 HH12 ARG 3 HH12 ARG 3 -8.311 -10.045 -5.024
29 HH21 ARG 3 HH21 ARG 3 -9.620 -9.380 -1.780
30 HH22 ARG 3 HH22 ARG 3 -9.682 -10.448 -3.141
31 H LEU 4 HN LEU 4 -4.138 -3.160 -3.006
32 HA LEU 4 HA LEU 4 -5.119 -0.578 -3.460
33 HB2 LEU 4 HB2 LEU 4 -2.461 -0.704 -2.396
34 HB3 LEU 4 HB1 LEU 4 -3.923 -0.087 -1.616
35 HG LEU 4 HG LEU 4 -3.253 -2.968 -1.849
36 HD11 LEU 4 HD11 LEU 4 -1.684 -2.746 -0.334
37 HD12 LEU 4 HD12 LEU 4 -2.865 -2.012 0.835
38 HD13 LEU 4 HD13 LEU 4 -1.949 -0.961 -0.332
39 HD21 LEU 4 HD21 LEU 4 -4.895 -2.848 0.304
40 HD22 LEU 4 HD22 LEU 4 -5.509 -3.018 -1.395
41 HD23 LEU 4 HD23 LEU 4 -5.492 -1.394 -0.590
42 H SER 5 HN SER 5 -2.411 -2.458 -3.924
43 HA SER 5 HA SER 5 -0.436 -1.196 -4.698
44 HB2 SER 5 HB2 SER 5 0.390 -3.159 -5.176
45 HB3 SER 5 HB1 SER 5 -1.276 -3.710 -4.687
46 HG SER 5 HG SER 5 -0.430 -3.103 -7.361
47 H LYS 6 HN LYS 6 -3.113 -0.675 -6.619
48 HA LYS 6 HA LYS 6 -1.452 0.297 -8.786
49 HB2 LYS 6 HB2 LYS 6 -4.371 1.007 -8.056
50 HB3 LYS 6 HB1 LYS 6 -3.521 1.424 -9.585
51 HG2 LYS 6 HG2 LYS 6 -4.215 -1.434 -8.659
52 HG3 LYS 6 HG1 LYS 6 -5.156 -0.469 -9.849
53 HD2 LYS 6 HD2 LYS 6 -3.119 -0.351 -11.329
54 HD3 LYS 6 HD1 LYS 6 -2.218 -1.364 -10.149
55 HE2 LYS 6 HE2 LYS 6 -3.862 -3.237 -10.497
56 HE3 LYS 6 HE1 LYS 6 -4.762 -2.215 -11.695
57 HZ1 LYS 6 HZ1 LYS 6 -3.387 -3.008 -13.183
58 HZ2 LYS 6 HZ2 LYS 6 -2.400 -3.755 -12.021
59 HZ3 LYS 6 HZ3 LYS 6 -2.120 -2.139 -12.459
60 H PHE 7 HN PHE 7 -1.770 0.429 -5.537
61 HA PHE 7 HA PHE 7 -2.199 3.168 -4.979
62 HB2 PHE 7 HB2 PHE 7 -3.171 1.191 -3.964
63 HB3 PHE 7 HB1 PHE 7 -1.651 0.763 -3.226
64 HD1 PHE 7 HD1 PHE 7 -4.607 1.426 -2.466
65 HD2 PHE 7 HD2 PHE 7 -0.848 3.294 -2.342
66 HE1 PHE 7 HE1 PHE 7 -5.049 2.289 -0.278
67 HE2 PHE 7 HE2 PHE 7 -1.122 4.192 -0.339
68 HZ PHE 7 HZ PHE 7 -3.370 3.784 0.900
69 H PHE 8 HN PHE 8 -0.192 0.577 -3.693
70 HA PHE 8 HA PHE 8 1.178 2.646 -2.337
71 HB2 PHE 8 HB2 PHE 8 2.621 0.528 -1.616
72 HB3 PHE 8 HB1 PHE 8 1.072 0.851 -0.795
73 HD1 PHE 8 HD1 PHE 8 3.093 -1.168 -2.328
74 HD2 PHE 8 HD2 PHE 8 -0.885 -0.156 -1.740
75 HE1 PHE 8 HE1 PHE 8 2.521 -3.277 -3.015
76 HE2 PHE 8 HE2 PHE 8 -1.503 -2.325 -2.470
77 HZ PHE 8 HZ PHE 8 0.203 -3.904 -3.064
78 H ARG 9 HN ARG 9 1.143 0.141 -4.411
79 HA ARG 9 HA ARG 9 3.816 0.148 -4.865
80 HB2 ARG 9 HB2 ARG 9 1.338 -1.008 -5.879
81 HB3 ARG 9 HB1 ARG 9 2.630 -0.834 -7.143
82 HG2 ARG 9 HG2 ARG 9 3.226 -2.158 -4.462
83 HG3 ARG 9 HG1 ARG 9 2.376 -3.092 -5.738
84 HD2 ARG 9 HD2 ARG 9 5.023 -1.607 -6.269
85 HD3 ARG 9 HD1 ARG 9 4.969 -3.319 -5.655
86 HE ARG 9 HE ARG 9 3.230 -3.181 -7.913
87 HH11 ARG 9 HH11 ARG 9 6.668 -2.738 -7.091
88 HH12 ARG 9 HH12 ARG 9 7.262 -3.242 -8.638
89 HH21 ARG 9 HH21 ARG 9 4.037 -3.866 -10.017
90 HH22 ARG 9 HH22 ARG 9 5.740 -3.893 -10.330
91 H ASP 10 HN ASP 10 1.425 2.173 -5.040
92 HA ASP 10 HA ASP 10 2.602 3.310 -7.274
93 HB2 ASP 10 HB2 ASP 10 0.418 2.256 -7.390
94 HB3 ASP 10 HB1 ASP 10 -0.141 3.773 -6.591
95 H DPN 11 HN DPN 11 2.238 3.702 -3.968
96 HA DPN 11 HA DPN 11 1.884 6.561 -4.378
97 HB2 DPN 11 HB1 DPN 11 4.398 6.330 -3.156
98 HB3 DPN 11 HB2 DPN 11 4.039 7.069 -4.758
99 HD1 DPN 11 HD1 DPN 11 4.405 5.673 -6.777
100 HD2 DPN 11 HD2 DPN 11 4.859 4.510 -2.824
101 HE1 DPN 11 HE1 DPN 11 4.845 3.342 -7.429
102 HE2 DPN 11 HE2 DPN 11 5.280 2.345 -3.425
103 HZ DPN 11 HZ DPN 11 5.183 1.822 -5.582
104 H ILE 12 HN ILE 12 3.820 4.877 -2.004
105 HA ILE 12 HA ILE 12 3.223 6.687 -0.013
106 HB ILE 12 HB ILE 12 2.399 4.541 1.399
107 HG12 ILE 12 HG12 ILE 12 0.613 3.465 0.082
108 HG13 ILE 12 HG11 ILE 12 1.139 4.413 -1.371
109 HG21 ILE 12 HG21 ILE 12 0.005 5.851 0.430
110 HG22 ILE 12 HG22 ILE 12 1.305 7.095 0.467
111 HG23 ILE 12 HG23 ILE 12 0.889 6.179 1.966
112 HD11 ILE 12 HD11 ILE 12 3.381 3.310 -0.071
113 HD12 ILE 12 HD12 ILE 12 2.816 3.103 -1.745
114 HD13 ILE 12 HD13 ILE 12 2.226 2.050 -0.383
115 H LEU 13 HN LEU 13 4.831 4.277 -1.659
116 HA LEU 13 HA LEU 13 6.583 3.505 0.555
117 HB2 LEU 13 HB2 LEU 13 6.622 2.493 -2.301
118 HB3 LEU 13 HB1 LEU 13 7.169 1.632 -0.816
119 HG LEU 13 HG LEU 13 4.393 2.424 -1.596
120 HD11 LEU 13 HD11 LEU 13 4.463 0.656 -2.933
121 HD12 LEU 13 HD12 LEU 13 4.549 -0.389 -1.446
122 HD13 LEU 13 HD13 LEU 13 6.062 0.138 -2.281
123 HD21 LEU 13 HD21 LEU 13 3.700 1.132 0.443
124 HD22 LEU 13 HD22 LEU 13 4.753 2.568 0.830
125 HD23 LEU 13 HD23 LEU 13 5.445 0.884 0.853
126 H GLN 14 HN GLN 14 6.565 4.471 -2.909
127 HA GLN 14 HA GLN 14 9.397 4.757 -2.972
128 HB2 GLN 14 HB2 GLN 14 7.415 6.394 -4.634
129 HB3 GLN 14 HB1 GLN 14 9.141 6.073 -5.037
130 HG2 GLN 14 HG2 GLN 14 6.795 4.190 -5.005
131 HG3 GLN 14 HG1 GLN 14 7.837 4.610 -6.407
132 HE21 GLN 14 HE21 GLN 14 7.194 2.558 -3.828
133 HE22 GLN 14 HE22 GLN 14 8.640 1.588 -3.831
134 H ARG 15 HN ARG 15 6.744 6.413 -1.717
135 HA ARG 15 HA ARG 15 8.372 8.822 -1.506
136 HB2 ARG 15 HB2 ARG 15 5.636 8.768 -0.237
137 HB3 ARG 15 HB1 ARG 15 6.435 10.086 -1.162
138 HG2 ARG 15 HG2 ARG 15 5.593 9.375 -3.177
139 HG3 ARG 15 HG1 ARG 15 5.702 7.631 -2.731
140 HD2 ARG 15 HD2 ARG 15 3.307 8.419 -2.914
141 HD3 ARG 15 HD1 ARG 15 3.742 7.832 -1.251
142 HE ARG 15 HE ARG 15 3.500 10.058 -0.439
143 HH11 ARG 15 HH11 ARG 15 3.523 9.972 -4.010
144 HH12 ARG 15 HH12 ARG 15 3.088 11.636 -4.205
145 HH21 ARG 15 HH21 ARG 15 2.919 12.325 -0.717
146 HH22 ARG 15 HH22 ARG 15 2.740 12.994 -2.303
147 H LYS 16 HN LYS 16 6.894 6.081 0.079
148 HA LYS 16 HA LYS 16 6.925 5.243 2.095
149 HB2 LYS 16 HB2 LYS 16 9.310 7.112 2.272
150 HB3 LYS 16 HB1 LYS 16 8.721 6.326 3.767
151 HG2 LYS 16 HG2 LYS 16 10.054 4.572 3.245
152 HG3 LYS 16 HG1 LYS 16 8.890 4.198 1.925
153 HD2 LYS 16 HD2 LYS 16 10.937 4.303 0.771
154 HD3 LYS 16 HD1 LYS 16 10.260 5.949 0.515
155 HE2 LYS 16 HE2 LYS 16 11.711 6.863 2.327
156 HE3 LYS 16 HE1 LYS 16 12.340 5.201 2.690
157 HZ1 LYS 16 HZ1 LYS 16 13.549 6.873 1.084
158 HZ2 LYS 16 HZ2 LYS 16 12.523 6.161 -0.067
159 HZ3 LYS 16 HZ3 LYS 16 13.583 5.193 0.840
160 H LYS 17 HN LYS 17 5.499 7.644 1.231
161 HA LYS 17 HA LYS 17 4.216 9.245 1.930
162 HB2 LYS 17 HB2 LYS 17 4.074 7.248 4.101
163 HB3 LYS 17 HB1 LYS 17 3.795 8.914 4.724
164 HG2 LYS 17 HG2 LYS 17 2.306 7.512 2.445
165 HG3 LYS 17 HG1 LYS 17 1.653 7.933 4.066
166 HD2 LYS 17 HD2 LYS 17 1.042 9.986 3.310
167 HD3 LYS 17 HD1 LYS 17 2.741 10.348 2.849
168 HE2 LYS 17 HE2 LYS 17 2.395 9.215 0.637
169 HE3 LYS 17 HE1 LYS 17 0.666 8.885 1.093
170 HZ1 LYS 17 HZ1 LYS 17 1.342 10.980 -0.255
171 HZ2 LYS 17 HZ2 LYS 17 1.687 11.631 1.277
172 HZ3 LYS 17 HZ3 LYS 17 0.127 11.058 0.929
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 -0.259 -9.028 -3.440
2 H2 GLU 1 HT2 GLU 1 0.552 -9.995 -4.577
3 H3 GLU 1 HT3 GLU 1 -1.031 -10.389 -4.105
4 HA GLU 1 HA GLU 1 -0.088 -8.518 -6.054
5 HB2 GLU 1 HB2 GLU 1 -1.561 -10.483 -6.566
6 HB3 GLU 1 HB1 GLU 1 -2.813 -9.816 -5.464
7 HG2 GLU 1 HG2 GLU 1 -3.445 -9.320 -7.799
8 HG3 GLU 1 HG1 GLU 1 -3.010 -7.771 -6.977
9 H MET 2 HN MET 2 -2.519 -8.520 -3.368
10 HA MET 2 HA MET 2 -3.518 -6.839 -2.312
11 HB2 MET 2 HB2 MET 2 -1.086 -5.413 -3.338
12 HB3 MET 2 HB1 MET 2 -2.469 -4.375 -2.859
13 HG2 MET 2 HG2 MET 2 -0.597 -6.026 -1.185
14 HG3 MET 2 HG1 MET 2 -1.360 -4.437 -0.876
15 HE1 MET 2 HE1 MET 2 -4.401 -4.499 0.307
16 HE2 MET 2 HE2 MET 2 -5.029 -5.714 -0.856
17 HE3 MET 2 HE3 MET 2 -3.839 -4.489 -1.400
18 H ARG 3 HN ARG 3 -4.333 -4.397 -2.786
19 HA ARG 3 HA ARG 3 -5.699 -4.627 -5.297
20 HB2 ARG 3 HB2 ARG 3 -6.646 -4.222 -2.502
21 HB3 ARG 3 HB1 ARG 3 -7.605 -3.511 -3.854
22 HG2 ARG 3 HG2 ARG 3 -8.722 -5.550 -3.611
23 HG3 ARG 3 HG1 ARG 3 -7.458 -6.049 -4.793
24 HD2 ARG 3 HD2 ARG 3 -6.894 -7.681 -3.262
25 HD3 ARG 3 HD1 ARG 3 -6.156 -6.322 -2.292
26 HE ARG 3 HE ARG 3 -8.984 -6.438 -1.736
27 HH11 ARG 3 HH11 ARG 3 -5.963 -8.270 -1.289
28 HH12 ARG 3 HH12 ARG 3 -6.446 -9.001 0.205
29 HH21 ARG 3 HH21 ARG 3 -9.644 -7.434 0.294
30 HH22 ARG 3 HH22 ARG 3 -8.576 -8.518 1.119
31 H LEU 4 HN LEU 4 -4.269 -3.009 -2.749
32 HA LEU 4 HA LEU 4 -5.162 -0.440 -3.391
33 HB2 LEU 4 HB2 LEU 4 -2.528 -0.567 -2.265
34 HB3 LEU 4 HB1 LEU 4 -3.992 0.128 -1.552
35 HG LEU 4 HG LEU 4 -3.384 -2.780 -1.604
36 HD11 LEU 4 HD11 LEU 4 -1.843 -2.504 -0.069
37 HD12 LEU 4 HD12 LEU 4 -3.031 -1.675 1.029
38 HD13 LEU 4 HD13 LEU 4 -2.064 -0.717 -0.179
39 HD21 LEU 4 HD21 LEU 4 -5.066 -2.474 0.513
40 HD22 LEU 4 HD22 LEU 4 -5.640 -2.778 -1.181
41 HD23 LEU 4 HD23 LEU 4 -5.622 -1.093 -0.513
42 H SER 5 HN SER 5 -2.497 -2.418 -3.689
43 HA SER 5 HA SER 5 -0.474 -1.254 -4.488
44 HB2 SER 5 HB2 SER 5 0.318 -3.260 -4.900
45 HB3 SER 5 HB1 SER 5 -1.343 -3.724 -4.315
46 HG SER 5 HG SER 5 -1.113 -4.803 -6.179
47 H LYS 6 HN LYS 6 -3.109 -0.802 -6.521
48 HA LYS 6 HA LYS 6 -1.388 0.013 -8.694
49 HB2 LYS 6 HB2 LYS 6 -4.308 0.740 -7.982
50 HB3 LYS 6 HB1 LYS 6 -3.453 1.212 -9.495
51 HG2 LYS 6 HG2 LYS 6 -3.295 -1.143 -10.204
52 HG3 LYS 6 HG1 LYS 6 -4.006 -1.698 -8.649
53 HD2 LYS 6 HD2 LYS 6 -6.110 -0.460 -9.175
54 HD3 LYS 6 HD1 LYS 6 -5.410 0.073 -10.742
55 HE2 LYS 6 HE2 LYS 6 -5.832 -2.885 -9.931
56 HE3 LYS 6 HE1 LYS 6 -6.957 -1.924 -10.980
57 HZ1 LYS 6 HZ1 LYS 6 -5.697 -2.533 -12.645
58 HZ2 LYS 6 HZ2 LYS 6 -4.520 -3.219 -11.633
59 HZ3 LYS 6 HZ3 LYS 6 -4.439 -1.571 -12.034
60 H PHE 7 HN PHE 7 -1.748 0.351 -5.452
61 HA PHE 7 HA PHE 7 -2.104 3.127 -5.068
62 HB2 PHE 7 HB2 PHE 7 -3.153 1.245 -3.957
63 HB3 PHE 7 HB1 PHE 7 -1.660 0.818 -3.163
64 HD1 PHE 7 HD1 PHE 7 -4.606 1.605 -2.502
65 HD2 PHE 7 HD2 PHE 7 -0.801 3.381 -2.417
66 HE1 PHE 7 HE1 PHE 7 -5.062 2.606 -0.379
67 HE2 PHE 7 HE2 PHE 7 -1.088 4.404 -0.476
68 HZ PHE 7 HZ PHE 7 -3.367 4.127 0.740
69 H PHE 8 HN PHE 8 -0.198 0.565 -3.590
70 HA PHE 8 HA PHE 8 1.202 2.670 -2.326
71 HB2 PHE 8 HB2 PHE 8 2.576 0.558 -1.459
72 HB3 PHE 8 HB1 PHE 8 1.020 0.967 -0.688
73 HD1 PHE 8 HD1 PHE 8 3.012 -1.190 -2.063
74 HD2 PHE 8 HD2 PHE 8 -0.944 -0.035 -1.612
75 HE1 PHE 8 HE1 PHE 8 2.389 -3.320 -2.639
76 HE2 PHE 8 HE2 PHE 8 -1.614 -2.222 -2.225
77 HZ PHE 8 HZ PHE 8 0.052 -3.882 -2.696
78 H ARG 9 HN ARG 9 1.134 0.058 -4.260
79 HA ARG 9 HA ARG 9 3.815 -0.039 -4.657
80 HB2 ARG 9 HB2 ARG 9 1.329 -1.194 -5.640
81 HB3 ARG 9 HB1 ARG 9 2.640 -1.125 -6.894
82 HG2 ARG 9 HG2 ARG 9 3.157 -2.305 -4.129
83 HG3 ARG 9 HG1 ARG 9 2.320 -3.291 -5.373
84 HD2 ARG 9 HD2 ARG 9 5.011 -1.887 -5.912
85 HD3 ARG 9 HD1 ARG 9 4.904 -3.565 -5.218
86 HE ARG 9 HE ARG 9 3.224 -3.508 -7.520
87 HH11 ARG 9 HH11 ARG 9 6.649 -3.075 -6.642
88 HH12 ARG 9 HH12 ARG 9 7.270 -3.659 -8.149
89 HH21 ARG 9 HH21 ARG 9 4.067 -4.303 -9.571
90 HH22 ARG 9 HH22 ARG 9 5.776 -4.368 -9.843
91 H ASP 10 HN ASP 10 1.484 2.035 -4.999
92 HA ASP 10 HA ASP 10 2.740 3.002 -7.271
93 HB2 ASP 10 HB2 ASP 10 0.559 2.025 -7.450
94 HB3 ASP 10 HB1 ASP 10 -0.006 3.532 -6.642
95 H DPN 11 HN DPN 11 2.326 3.594 -4.001
96 HA DPN 11 HA DPN 11 2.066 6.432 -4.580
97 HB2 DPN 11 HB1 DPN 11 4.552 6.195 -3.296
98 HB3 DPN 11 HB2 DPN 11 4.242 6.855 -4.945
99 HD1 DPN 11 HD1 DPN 11 4.608 5.343 -6.879
100 HD2 DPN 11 HD2 DPN 11 4.940 4.386 -2.861
101 HE1 DPN 11 HE1 DPN 11 4.994 2.966 -7.391
102 HE2 DPN 11 HE2 DPN 11 5.310 2.186 -3.331
103 HZ DPN 11 HZ DPN 11 5.246 1.547 -5.451
104 H ILE 12 HN ILE 12 3.900 4.823 -2.059
105 HA ILE 12 HA ILE 12 3.370 6.776 -0.210
106 HB ILE 12 HB ILE 12 2.425 4.763 1.318
107 HG12 ILE 12 HG12 ILE 12 0.606 3.688 0.042
108 HG13 ILE 12 HG11 ILE 12 1.191 4.522 -1.456
109 HG21 ILE 12 HG21 ILE 12 1.336 7.254 0.049
110 HG22 ILE 12 HG22 ILE 12 1.203 6.681 1.756
111 HG23 ILE 12 HG23 ILE 12 0.066 6.057 0.501
112 HD11 ILE 12 HD11 ILE 12 2.831 3.132 -1.730
113 HD12 ILE 12 HD12 ILE 12 2.163 2.177 -0.327
114 HD13 ILE 12 HD13 ILE 12 3.364 3.384 -0.052
115 H LEU 13 HN LEU 13 4.921 4.273 -1.697
116 HA LEU 13 HA LEU 13 6.579 3.543 0.604
117 HB2 LEU 13 HB2 LEU 13 6.644 2.383 -2.197
118 HB3 LEU 13 HB1 LEU 13 7.139 1.583 -0.660
119 HG LEU 13 HG LEU 13 4.392 2.404 -1.532
120 HD11 LEU 13 HD11 LEU 13 4.424 0.554 -2.761
121 HD12 LEU 13 HD12 LEU 13 4.501 -0.410 -1.221
122 HD13 LEU 13 HD13 LEU 13 6.019 0.057 -2.084
123 HD21 LEU 13 HD21 LEU 13 3.626 1.235 0.545
124 HD22 LEU 13 HD22 LEU 13 4.710 2.658 0.885
125 HD23 LEU 13 HD23 LEU 13 5.353 0.959 1.009
126 H GLN 14 HN GLN 14 6.639 4.335 -2.896
127 HA GLN 14 HA GLN 14 9.473 4.617 -2.917
128 HB2 GLN 14 HB2 GLN 14 7.516 6.153 -4.698
129 HB3 GLN 14 HB1 GLN 14 9.249 5.816 -5.055
130 HG2 GLN 14 HG2 GLN 14 6.905 3.933 -4.960
131 HG3 GLN 14 HG1 GLN 14 7.976 4.273 -6.363
132 HE21 GLN 14 HE21 GLN 14 7.272 2.370 -3.691
133 HE22 GLN 14 HE22 GLN 14 8.717 1.400 -3.606
134 H ARG 15 HN ARG 15 6.792 6.341 -1.785
135 HA ARG 15 HA ARG 15 8.455 8.736 -1.649
136 HB2 ARG 15 HB2 ARG 15 5.653 8.821 -0.570
137 HB3 ARG 15 HB1 ARG 15 6.540 10.062 -1.515
138 HG2 ARG 15 HG2 ARG 15 5.810 9.251 -3.538
139 HG3 ARG 15 HG1 ARG 15 5.858 7.534 -2.992
140 HD2 ARG 15 HD2 ARG 15 3.507 8.236 -3.354
141 HD3 ARG 15 HD1 ARG 15 3.809 7.930 -1.583
142 HE ARG 15 HE ARG 15 4.351 10.689 -2.011
143 HH11 ARG 15 HH11 ARG 15 1.605 8.439 -2.403
144 HH12 ARG 15 HH12 ARG 15 0.392 9.648 -2.140
145 HH21 ARG 15 HH21 ARG 15 2.695 12.314 -1.651
146 HH22 ARG 15 HH22 ARG 15 1.020 11.881 -1.705
147 H LYS 16 HN LYS 16 6.829 6.140 -0.030
148 HA LYS 16 HA LYS 16 6.949 5.275 1.926
149 HB2 LYS 16 HB2 LYS 16 8.780 7.583 2.674
150 HB3 LYS 16 HB1 LYS 16 8.378 6.240 3.783
151 HG2 LYS 16 HG2 LYS 16 9.809 5.935 1.075
152 HG3 LYS 16 HG1 LYS 16 10.625 5.979 2.677
153 HD2 LYS 16 HD2 LYS 16 9.260 3.960 3.377
154 HD3 LYS 16 HD1 LYS 16 8.563 3.897 1.719
155 HE2 LYS 16 HE2 LYS 16 10.861 3.545 0.761
156 HE3 LYS 16 HE1 LYS 16 11.566 3.613 2.430
157 HZ1 LYS 16 HZ1 LYS 16 11.184 1.473 2.510
158 HZ2 LYS 16 HZ2 LYS 16 10.273 1.474 1.076
159 HZ3 LYS 16 HZ3 LYS 16 9.518 1.792 2.563
160 H LYS 17 HN LYS 17 5.346 7.848 1.044
161 HA LYS 17 HA LYS 17 3.702 7.697 3.308
162 HB2 LYS 17 HB2 LYS 17 3.799 10.350 3.640
163 HB3 LYS 17 HB1 LYS 17 4.901 9.277 4.563
164 HG2 LYS 17 HG2 LYS 17 6.379 10.906 3.789
165 HG3 LYS 17 HG1 LYS 17 6.565 9.633 2.543
166 HD2 LYS 17 HD2 LYS 17 4.742 10.932 1.189
167 HD3 LYS 17 HD1 LYS 17 5.008 12.273 2.357
168 HE2 LYS 17 HE2 LYS 17 7.468 12.279 1.744
169 HE3 LYS 17 HE1 LYS 17 7.128 10.987 0.516
170 HZ1 LYS 17 HZ1 LYS 17 5.964 13.724 0.598
171 HZ2 LYS 17 HZ2 LYS 17 5.546 12.512 -0.515
172 HZ3 LYS 17 HZ3 LYS 17 7.126 13.132 -0.489
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 -2.721 -9.315 -5.897
2 H2 GLU 1 HT2 GLU 1 -1.793 -10.692 -6.253
3 H3 GLU 1 HT3 GLU 1 -1.244 -9.155 -6.722
4 HA GLU 1 HA GLU 1 -1.015 -10.516 -4.221
5 HB2 GLU 1 HB2 GLU 1 0.333 -8.005 -5.376
6 HB3 GLU 1 HB1 GLU 1 0.905 -8.919 -3.937
7 HG2 GLU 1 HG2 GLU 1 0.740 -10.036 -6.821
8 HG3 GLU 1 HG1 GLU 1 2.244 -9.497 -5.975
9 H MET 2 HN MET 2 -1.975 -7.181 -5.290
10 HA MET 2 HA MET 2 -3.371 -6.924 -2.767
11 HB2 MET 2 HB2 MET 2 -1.003 -5.296 -3.563
12 HB3 MET 2 HB1 MET 2 -2.431 -4.338 -3.046
13 HG2 MET 2 HG2 MET 2 -0.578 -6.100 -1.458
14 HG3 MET 2 HG1 MET 2 -1.365 -4.547 -1.042
15 HE1 MET 2 HE1 MET 2 -4.594 -4.882 -0.001
16 HE2 MET 2 HE2 MET 2 -4.951 -5.885 -1.452
17 HE3 MET 2 HE3 MET 2 -3.796 -4.519 -1.568
18 H ARG 3 HN ARG 3 -4.381 -4.482 -2.934
19 HA ARG 3 HA ARG 3 -5.734 -4.548 -5.443
20 HB2 ARG 3 HB2 ARG 3 -6.878 -5.374 -3.222
21 HB3 ARG 3 HB1 ARG 3 -6.812 -3.614 -2.813
22 HG2 ARG 3 HG2 ARG 3 -7.999 -4.388 -5.491
23 HG3 ARG 3 HG1 ARG 3 -8.968 -4.736 -4.012
24 HD2 ARG 3 HD2 ARG 3 -7.719 -2.054 -3.872
25 HD3 ARG 3 HD1 ARG 3 -8.778 -2.227 -5.348
26 HE ARG 3 HE ARG 3 -10.192 -3.325 -3.101
27 HH11 ARG 3 HH11 ARG 3 -8.909 -0.241 -4.331
28 HH12 ARG 3 HH12 ARG 3 -10.111 0.743 -3.566
29 HH21 ARG 3 HH21 ARG 3 -11.830 -1.989 -2.059
30 HH22 ARG 3 HH22 ARG 3 -11.800 -0.269 -2.251
31 H LEU 4 HN LEU 4 -4.239 -3.012 -2.863
32 HA LEU 4 HA LEU 4 -5.130 -0.432 -3.392
33 HB2 LEU 4 HB2 LEU 4 -2.473 -0.606 -2.330
34 HB3 LEU 4 HB1 LEU 4 -3.916 0.068 -1.563
35 HG LEU 4 HG LEU 4 -3.324 -2.835 -1.727
36 HD11 LEU 4 HD11 LEU 4 -1.739 -2.614 -0.225
37 HD12 LEU 4 HD12 LEU 4 -2.897 -1.829 0.932
38 HD13 LEU 4 HD13 LEU 4 -1.963 -0.824 -0.260
39 HD21 LEU 4 HD21 LEU 4 -5.599 -2.754 -1.289
40 HD22 LEU 4 HD22 LEU 4 -5.484 -1.164 -0.424
41 HD23 LEU 4 HD23 LEU 4 -4.950 -2.681 0.402
42 H SER 5 HN SER 5 -2.465 -2.393 -3.814
43 HA SER 5 HA SER 5 -0.465 -1.183 -4.613
44 HB2 SER 5 HB2 SER 5 0.332 -3.166 -5.046
45 HB3 SER 5 HB1 SER 5 -1.341 -3.680 -4.546
46 HG SER 5 HG SER 5 -0.489 -3.149 -7.232
47 H LYS 6 HN LYS 6 -3.126 -0.656 -6.550
48 HA LYS 6 HA LYS 6 -1.443 0.230 -8.736
49 HB2 LYS 6 HB2 LYS 6 -4.348 1.019 -8.028
50 HB3 LYS 6 HB1 LYS 6 -3.488 1.378 -9.565
51 HG2 LYS 6 HG2 LYS 6 -4.260 -1.434 -8.564
52 HG3 LYS 6 HG1 LYS 6 -5.160 -0.482 -9.792
53 HD2 LYS 6 HD2 LYS 6 -2.213 -1.345 -10.076
54 HD3 LYS 6 HD1 LYS 6 -3.607 -2.260 -10.743
55 HE2 LYS 6 HE2 LYS 6 -4.248 -0.222 -12.119
56 HE3 LYS 6 HE1 LYS 6 -2.764 0.620 -11.501
57 HZ1 LYS 6 HZ1 LYS 6 -3.046 -1.361 -13.535
58 HZ2 LYS 6 HZ2 LYS 6 -1.888 -1.815 -12.379
59 HZ3 LYS 6 HZ3 LYS 6 -1.748 -0.325 -13.180
60 H PHE 7 HN PHE 7 -1.767 0.446 -5.489
61 HA PHE 7 HA PHE 7 -2.139 3.206 -5.000
62 HB2 PHE 7 HB2 PHE 7 -3.152 1.276 -3.936
63 HB3 PHE 7 HB1 PHE 7 -1.642 0.836 -3.185
64 HD1 PHE 7 HD1 PHE 7 -4.580 1.568 -2.438
65 HD2 PHE 7 HD2 PHE 7 -0.792 3.382 -2.369
66 HE1 PHE 7 HE1 PHE 7 -5.005 2.496 -0.274
67 HE2 PHE 7 HE2 PHE 7 -1.051 4.338 -0.390
68 HZ PHE 7 HZ PHE 7 -3.303 3.998 0.861
69 H PHE 8 HN PHE 8 -0.185 0.609 -3.647
70 HA PHE 8 HA PHE 8 1.220 2.681 -2.337
71 HB2 PHE 8 HB2 PHE 8 2.628 0.557 -1.569
72 HB3 PHE 8 HB1 PHE 8 1.084 0.921 -0.757
73 HD1 PHE 8 HD1 PHE 8 3.071 -1.167 -2.233
74 HD2 PHE 8 HD2 PHE 8 -0.889 -0.066 -1.686
75 HE1 PHE 8 HE1 PHE 8 2.460 -3.283 -2.870
76 HE2 PHE 8 HE2 PHE 8 -1.546 -2.240 -2.362
77 HZ PHE 8 HZ PHE 8 0.129 -3.865 -2.911
78 H ARG 9 HN ARG 9 1.136 0.139 -4.359
79 HA ARG 9 HA ARG 9 3.810 0.076 -4.811
80 HB2 ARG 9 HB2 ARG 9 1.310 -1.054 -5.795
81 HB3 ARG 9 HB1 ARG 9 2.602 -0.934 -7.064
82 HG2 ARG 9 HG2 ARG 9 3.171 -2.210 -4.353
83 HG3 ARG 9 HG1 ARG 9 2.310 -3.155 -5.613
84 HD2 ARG 9 HD2 ARG 9 4.986 -1.728 -6.162
85 HD3 ARG 9 HD1 ARG 9 4.898 -3.427 -5.517
86 HE ARG 9 HE ARG 9 3.172 -3.294 -7.786
87 HH11 ARG 9 HH11 ARG 9 6.612 -2.914 -6.950
88 HH12 ARG 9 HH12 ARG 9 7.205 -3.456 -8.484
89 HH21 ARG 9 HH21 ARG 9 3.976 -4.033 -9.873
90 HH22 ARG 9 HH22 ARG 9 5.679 -4.104 -10.175
91 H ASP 10 HN ASP 10 1.459 2.145 -5.034
92 HA ASP 10 HA ASP 10 2.668 3.203 -7.291
93 HB2 ASP 10 HB2 ASP 10 0.493 2.215 -7.471
94 HB3 ASP 10 HB1 ASP 10 -0.072 3.685 -6.598
95 H DPN 11 HN DPN 11 2.304 3.678 -3.996
96 HA DPN 11 HA DPN 11 2.018 6.533 -4.475
97 HB2 DPN 11 HB1 DPN 11 4.527 6.266 -3.243
98 HB3 DPN 11 HB2 DPN 11 4.185 6.981 -4.862
99 HD1 DPN 11 HD1 DPN 11 4.525 5.538 -6.852
100 HD2 DPN 11 HD2 DPN 11 4.935 4.447 -2.877
101 HE1 DPN 11 HE1 DPN 11 4.921 3.184 -7.453
102 HE2 DPN 11 HE2 DPN 11 5.314 2.267 -3.429
103 HZ DPN 11 HZ DPN 11 5.217 1.703 -5.569
104 H ILE 12 HN ILE 12 3.898 4.843 -2.046
105 HA ILE 12 HA ILE 12 3.389 6.736 -0.115
106 HB ILE 12 HB ILE 12 2.489 4.659 1.354
107 HG12 ILE 12 HG12 ILE 12 0.656 3.616 0.069
108 HG13 ILE 12 HG11 ILE 12 1.213 4.507 -1.408
109 HG21 ILE 12 HG21 ILE 12 0.105 5.952 0.638
110 HG22 ILE 12 HG22 ILE 12 1.347 7.178 0.184
111 HG23 ILE 12 HG23 ILE 12 1.267 6.557 1.878
112 HD11 ILE 12 HD11 ILE 12 2.855 3.136 -1.755
113 HD12 ILE 12 HD12 ILE 12 2.219 2.130 -0.372
114 HD13 ILE 12 HD13 ILE 12 3.416 3.337 -0.080
115 H LEU 13 HN LEU 13 4.936 4.301 -1.717
116 HA LEU 13 HA LEU 13 6.638 3.505 0.530
117 HB2 LEU 13 HB2 LEU 13 6.666 2.442 -2.310
118 HB3 LEU 13 HB1 LEU 13 7.195 1.596 -0.812
119 HG LEU 13 HG LEU 13 4.426 2.420 -1.606
120 HD11 LEU 13 HD11 LEU 13 6.062 0.114 -2.275
121 HD12 LEU 13 HD12 LEU 13 4.445 0.610 -2.895
122 HD13 LEU 13 HD13 LEU 13 4.573 -0.405 -1.392
123 HD21 LEU 13 HD21 LEU 13 3.707 1.173 0.442
124 HD22 LEU 13 HD22 LEU 13 4.787 2.591 0.814
125 HD23 LEU 13 HD23 LEU 13 5.444 0.896 0.866
126 H GLN 14 HN GLN 14 6.639 4.409 -2.943
127 HA GLN 14 HA GLN 14 9.468 4.718 -3.000
128 HB2 GLN 14 HB2 GLN 14 7.473 6.297 -4.698
129 HB3 GLN 14 HB1 GLN 14 9.201 5.980 -5.094
130 HG2 GLN 14 HG2 GLN 14 6.868 4.083 -5.022
131 HG3 GLN 14 HG1 GLN 14 7.912 4.474 -6.430
132 HE21 GLN 14 HE21 GLN 14 7.266 2.479 -3.814
133 HE22 GLN 14 HE22 GLN 14 8.718 1.517 -3.785
134 H ARG 15 HN ARG 15 6.797 6.383 -1.769
135 HA ARG 15 HA ARG 15 8.442 8.788 -1.585
136 HB2 ARG 15 HB2 ARG 15 5.661 8.820 -0.459
137 HB3 ARG 15 HB1 ARG 15 6.521 10.095 -1.386
138 HG2 ARG 15 HG2 ARG 15 5.742 9.347 -3.409
139 HG3 ARG 15 HG1 ARG 15 5.839 7.612 -2.930
140 HD2 ARG 15 HD2 ARG 15 3.461 8.269 -3.196
141 HD3 ARG 15 HD1 ARG 15 3.824 7.914 -1.450
142 HE ARG 15 HE ARG 15 3.549 10.242 -0.967
143 HH11 ARG 15 HH11 ARG 15 3.569 9.626 -4.484
144 HH12 ARG 15 HH12 ARG 15 3.015 11.209 -4.916
145 HH21 ARG 15 HH21 ARG 15 2.795 12.388 -1.564
146 HH22 ARG 15 HH22 ARG 15 2.569 12.804 -3.229
147 H LYS 16 HN LYS 16 6.860 6.128 -0.023
148 HA LYS 16 HA LYS 16 7.011 5.208 1.908
149 HB2 LYS 16 HB2 LYS 16 8.823 7.516 2.702
150 HB3 LYS 16 HB1 LYS 16 8.450 6.134 3.773
151 HG2 LYS 16 HG2 LYS 16 9.854 5.933 1.042
152 HG3 LYS 16 HG1 LYS 16 10.687 5.936 2.635
153 HD2 LYS 16 HD2 LYS 16 9.356 3.879 3.284
154 HD3 LYS 16 HD1 LYS 16 8.640 3.860 1.634
155 HE2 LYS 16 HE2 LYS 16 10.932 3.569 0.639
156 HE3 LYS 16 HE1 LYS 16 11.654 3.591 2.302
157 HZ1 LYS 16 HZ1 LYS 16 9.626 1.742 2.390
158 HZ2 LYS 16 HZ2 LYS 16 11.296 1.446 2.321
159 HZ3 LYS 16 HZ3 LYS 16 10.380 1.480 0.891
160 H LYS 17 HN LYS 17 5.371 7.780 1.113
161 HA LYS 17 HA LYS 17 3.691 7.554 3.313
162 HB2 LYS 17 HB2 LYS 17 3.837 10.125 3.930
163 HB3 LYS 17 HB1 LYS 17 4.958 8.967 4.719
164 HG2 LYS 17 HG2 LYS 17 6.509 10.542 4.102
165 HG3 LYS 17 HG1 LYS 17 6.509 9.585 2.588
166 HD2 LYS 17 HD2 LYS 17 4.522 11.287 1.918
167 HD3 LYS 17 HD1 LYS 17 5.311 12.322 3.159
168 HE2 LYS 17 HE2 LYS 17 7.499 12.125 1.935
169 HE3 LYS 17 HE1 LYS 17 6.696 11.081 0.687
170 HZ1 LYS 17 HZ1 LYS 17 6.904 13.770 0.627
171 HZ2 LYS 17 HZ2 LYS 17 5.323 13.559 1.209
172 HZ3 LYS 17 HZ3 LYS 17 5.791 12.841 -0.257
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 -4.283 -10.256 -3.329
2 H2 GLU 1 HT2 GLU 1 -4.022 -11.810 -2.697
3 H3 GLU 1 HT3 GLU 1 -3.206 -11.317 -4.103
4 HA GLU 1 HA GLU 1 -2.506 -10.975 -1.393
5 HB2 GLU 1 HB2 GLU 1 -1.161 -10.408 -4.092
6 HB3 GLU 1 HB1 GLU 1 -0.310 -10.186 -2.522
7 HG2 GLU 1 HG2 GLU 1 -0.551 -12.588 -1.976
8 HG3 GLU 1 HG1 GLU 1 -1.561 -12.858 -3.452
9 H MET 2 HN MET 2 -2.733 -8.633 -4.181
10 HA MET 2 HA MET 2 -3.508 -6.601 -2.355
11 HB2 MET 2 HB2 MET 2 -1.757 -5.028 -2.635
12 HB3 MET 2 HB1 MET 2 -1.004 -6.546 -2.073
13 HG2 MET 2 HG2 MET 2 -0.670 -5.020 -4.560
14 HG3 MET 2 HG1 MET 2 0.473 -6.075 -3.699
15 HE1 MET 2 HE1 MET 2 -2.041 -5.275 -5.975
16 HE2 MET 2 HE2 MET 2 -2.189 -6.547 -7.245
17 HE3 MET 2 HE3 MET 2 -0.690 -5.558 -7.137
18 H ARG 3 HN ARG 3 -4.068 -4.622 -3.397
19 HA ARG 3 HA ARG 3 -4.595 -4.924 -6.239
20 HB2 ARG 3 HB2 ARG 3 -6.502 -4.356 -3.979
21 HB3 ARG 3 HB1 ARG 3 -6.913 -3.999 -5.696
22 HG2 ARG 3 HG2 ARG 3 -7.945 -6.085 -5.506
23 HG3 ARG 3 HG1 ARG 3 -6.299 -6.627 -5.997
24 HD2 ARG 3 HD2 ARG 3 -6.585 -7.979 -4.095
25 HD3 ARG 3 HD1 ARG 3 -5.890 -6.493 -3.295
26 HE ARG 3 HE ARG 3 -8.759 -6.214 -3.483
27 HH11 ARG 3 HH11 ARG 3 -6.209 -8.088 -1.849
28 HH12 ARG 3 HH12 ARG 3 -7.120 -8.358 -0.401
29 HH21 ARG 3 HH21 ARG 3 -10.001 -6.582 -1.515
30 HH22 ARG 3 HH22 ARG 3 -9.314 -7.489 -0.210
31 H LEU 4 HN LEU 4 -3.692 -3.368 -3.547
32 HA LEU 4 HA LEU 4 -4.749 -0.860 -3.704
33 HB2 LEU 4 HB2 LEU 4 -2.008 -0.938 -2.866
34 HB3 LEU 4 HB1 LEU 4 -3.442 -0.599 -1.883
35 HG LEU 4 HG LEU 4 -2.589 -3.350 -2.663
36 HD11 LEU 4 HD11 LEU 4 -1.248 -1.548 -0.951
37 HD12 LEU 4 HD12 LEU 4 -0.904 -3.290 -1.289
38 HD13 LEU 4 HD13 LEU 4 -1.988 -2.833 0.097
39 HD21 LEU 4 HD21 LEU 4 -4.723 -3.742 -1.982
40 HD22 LEU 4 HD22 LEU 4 -4.810 -2.220 -1.003
41 HD23 LEU 4 HD23 LEU 4 -3.975 -3.677 -0.334
42 H SER 5 HN SER 5 -1.977 -2.463 -4.643
43 HA SER 5 HA SER 5 -0.162 -0.966 -5.368
44 HB2 SER 5 HB2 SER 5 0.750 -2.755 -6.211
45 HB3 SER 5 HB1 SER 5 -0.833 -3.515 -5.721
46 HG SER 5 HG SER 5 -0.235 -2.400 -8.297
47 H LYS 6 HN LYS 6 -3.011 -0.349 -6.987
48 HA LYS 6 HA LYS 6 -1.590 1.062 -9.082
49 HB2 LYS 6 HB2 LYS 6 -4.479 1.440 -8.047
50 HB3 LYS 6 HB1 LYS 6 -3.780 2.144 -9.547
51 HG2 LYS 6 HG2 LYS 6 -4.229 -0.863 -9.036
52 HG3 LYS 6 HG1 LYS 6 -5.313 0.203 -9.994
53 HD2 LYS 6 HD2 LYS 6 -3.410 0.686 -11.572
54 HD3 LYS 6 HD1 LYS 6 -2.361 -0.427 -10.627
55 HE2 LYS 6 HE2 LYS 6 -3.913 -2.338 -11.151
56 HE3 LYS 6 HE1 LYS 6 -4.961 -1.213 -12.112
57 HZ1 LYS 6 HZ1 LYS 6 -3.030 -0.752 -13.506
58 HZ2 LYS 6 HZ2 LYS 6 -3.463 -2.394 -13.519
59 HZ3 LYS 6 HZ3 LYS 6 -2.109 -1.879 -12.633
60 H PHE 7 HN PHE 7 -1.649 0.671 -5.838
61 HA PHE 7 HA PHE 7 -2.205 3.253 -4.826
62 HB2 PHE 7 HB2 PHE 7 -2.969 1.075 -4.073
63 HB3 PHE 7 HB1 PHE 7 -1.372 0.659 -3.511
64 HD1 PHE 7 HD1 PHE 7 -4.306 0.981 -2.468
65 HD2 PHE 7 HD2 PHE 7 -0.666 3.071 -2.296
66 HE1 PHE 7 HE1 PHE 7 -4.637 1.467 -0.148
67 HE2 PHE 7 HE2 PHE 7 -0.845 3.640 -0.165
68 HZ PHE 7 HZ PHE 7 -2.968 2.887 1.138
69 H PHE 8 HN PHE 8 0.058 0.650 -4.114
70 HA PHE 8 HA PHE 8 1.395 2.575 -2.534
71 HB2 PHE 8 HB2 PHE 8 3.038 0.493 -2.282
72 HB3 PHE 8 HB1 PHE 8 1.547 0.552 -1.308
73 HD1 PHE 8 HD1 PHE 8 3.565 -1.049 -3.265
74 HD2 PHE 8 HD2 PHE 8 -0.409 -0.421 -2.282
75 HE1 PHE 8 HE1 PHE 8 3.069 -3.063 -4.244
76 HE2 PHE 8 HE2 PHE 8 -0.954 -2.485 -3.304
77 HZ PHE 8 HZ PHE 8 0.792 -3.833 -4.252
78 H ARG 9 HN ARG 9 1.344 0.442 -4.984
79 HA ARG 9 HA ARG 9 3.965 0.721 -5.629
80 HB2 ARG 9 HB2 ARG 9 1.494 -0.449 -6.630
81 HB3 ARG 9 HB1 ARG 9 2.646 0.036 -7.946
82 HG2 ARG 9 HG2 ARG 9 3.465 -1.721 -5.580
83 HG3 ARG 9 HG1 ARG 9 2.723 -2.427 -7.051
84 HD2 ARG 9 HD2 ARG 9 5.279 -0.684 -7.026
85 HD3 ARG 9 HD1 ARG 9 5.270 -2.500 -7.070
86 HE ARG 9 HE ARG 9 4.560 -0.666 -9.293
87 HH11 ARG 9 HH11 ARG 9 4.372 -3.943 -7.896
88 HH12 ARG 9 HH12 ARG 9 4.077 -4.734 -9.407
89 HH21 ARG 9 HH21 ARG 9 4.160 -1.746 -11.342
90 HH22 ARG 9 HH22 ARG 9 3.955 -3.464 -11.398
91 H ASP 10 HN ASP 10 1.444 2.564 -5.295
92 HA ASP 10 HA ASP 10 2.367 4.123 -7.391
93 HB2 ASP 10 HB2 ASP 10 0.273 2.978 -7.602
94 HB3 ASP 10 HB1 ASP 10 -0.334 4.207 -6.434
95 H DPN 11 HN DPN 11 2.246 3.959 -4.049
96 HA DPN 11 HA DPN 11 1.688 6.815 -3.970
97 HB2 DPN 11 HB1 DPN 11 4.305 6.571 -2.978
98 HB3 DPN 11 HB2 DPN 11 3.771 7.529 -4.409
99 HD1 DPN 11 HD1 DPN 11 4.058 6.507 -6.653
100 HD2 DPN 11 HD2 DPN 11 4.889 4.762 -2.986
101 HE1 DPN 11 HE1 DPN 11 4.593 4.347 -7.707
102 HE2 DPN 11 HE2 DPN 11 5.397 2.764 -3.959
103 HZ DPN 11 HZ DPN 11 5.167 2.586 -6.157
104 H ILE 12 HN ILE 12 3.894 4.902 -2.028
105 HA ILE 12 HA ILE 12 3.395 6.365 0.249
106 HB ILE 12 HB ILE 12 2.798 3.979 1.363
107 HG12 ILE 12 HG12 ILE 12 0.954 3.015 0.033
108 HG13 ILE 12 HG11 ILE 12 1.310 4.206 -1.286
109 HG21 ILE 12 HG21 ILE 12 0.264 5.145 1.066
110 HG22 ILE 12 HG22 ILE 12 1.357 6.547 0.766
111 HG23 ILE 12 HG23 ILE 12 1.473 5.625 2.315
112 HD11 ILE 12 HD11 ILE 12 3.705 3.037 -0.347
113 HD12 ILE 12 HD12 ILE 12 3.024 3.079 -1.990
114 HD13 ILE 12 HD13 ILE 12 2.581 1.788 -0.785
115 H LEU 13 HN LEU 13 4.998 4.415 -1.877
116 HA LEU 13 HA LEU 13 6.944 3.400 0.062
117 HB2 LEU 13 HB2 LEU 13 6.819 2.868 -2.920
118 HB3 LEU 13 HB1 LEU 13 7.538 1.822 -1.643
119 HG LEU 13 HG LEU 13 4.655 2.505 -2.085
120 HD11 LEU 13 HD11 LEU 13 4.714 0.963 -3.682
121 HD12 LEU 13 HD12 LEU 13 5.054 -0.286 -2.406
122 HD13 LEU 13 HD13 LEU 13 6.414 0.526 -3.278
123 HD21 LEU 13 HD21 LEU 13 5.993 0.670 -0.009
124 HD22 LEU 13 HD22 LEU 13 4.212 0.852 -0.258
125 HD23 LEU 13 HD23 LEU 13 5.202 2.277 0.297
126 H GLN 14 HN GLN 14 6.577 4.904 -3.175
127 HA GLN 14 HA GLN 14 9.357 5.490 -3.364
128 HB2 GLN 14 HB2 GLN 14 7.101 7.145 -4.604
129 HB3 GLN 14 HB1 GLN 14 8.811 7.073 -5.167
130 HG2 GLN 14 HG2 GLN 14 6.658 4.975 -5.289
131 HG3 GLN 14 HG1 GLN 14 7.545 5.710 -6.669
132 HE21 GLN 14 HE21 GLN 14 7.287 3.229 -4.427
133 HE22 GLN 14 HE22 GLN 14 8.811 2.422 -4.673
134 H ARG 15 HN ARG 15 6.668 6.646 -1.670
135 HA ARG 15 HA ARG 15 8.119 9.127 -1.158
136 HB2 ARG 15 HB2 ARG 15 5.451 8.692 0.142
137 HB3 ARG 15 HB1 ARG 15 6.121 10.186 -0.590
138 HG2 ARG 15 HG2 ARG 15 5.235 9.738 -2.659
139 HG3 ARG 15 HG1 ARG 15 5.516 7.964 -2.516
140 HD2 ARG 15 HD2 ARG 15 3.079 8.424 -2.492
141 HD3 ARG 15 HD1 ARG 15 3.618 7.801 -0.871
142 HE ARG 15 HE ARG 15 3.194 9.967 0.054
143 HH11 ARG 15 HH11 ARG 15 2.957 9.991 -3.510
144 HH12 ARG 15 HH12 ARG 15 2.240 11.564 -3.603
145 HH21 ARG 15 HH21 ARG 15 2.217 12.102 -0.082
146 HH22 ARG 15 HH22 ARG 15 1.813 12.783 -1.622
147 H LYS 16 HN LYS 16 6.903 6.091 -0.011
148 HA LYS 16 HA LYS 16 7.292 4.861 1.701
149 HB2 LYS 16 HB2 LYS 16 8.965 7.158 2.786
150 HB3 LYS 16 HB1 LYS 16 8.803 5.575 3.603
151 HG2 LYS 16 HG2 LYS 16 9.980 6.006 0.791
152 HG3 LYS 16 HG1 LYS 16 10.944 5.810 2.297
153 HD2 LYS 16 HD2 LYS 16 9.856 3.546 2.644
154 HD3 LYS 16 HD1 LYS 16 9.004 3.749 1.073
155 HE2 LYS 16 HE2 LYS 16 11.216 3.872 -0.117
156 HE3 LYS 16 HE1 LYS 16 12.077 3.672 1.466
157 HZ1 LYS 16 HZ1 LYS 16 10.878 1.727 -0.217
158 HZ2 LYS 16 HZ2 LYS 16 10.227 1.642 1.350
159 HZ3 LYS 16 HZ3 LYS 16 11.906 1.531 1.119
160 H LYS 17 HN LYS 17 5.382 7.362 1.510
161 HA LYS 17 HA LYS 17 3.921 6.585 3.740
162 HB2 LYS 17 HB2 LYS 17 3.904 9.005 4.813
163 HB3 LYS 17 HB1 LYS 17 5.184 7.844 5.291
164 HG2 LYS 17 HG2 LYS 17 6.536 9.649 4.870
165 HG3 LYS 17 HG1 LYS 17 6.483 8.983 3.208
166 HD2 LYS 17 HD2 LYS 17 4.307 10.572 3.013
167 HD3 LYS 17 HD1 LYS 17 5.115 11.442 4.363
168 HE2 LYS 17 HE2 LYS 17 7.191 11.687 2.968
169 HE3 LYS 17 HE1 LYS 17 6.374 10.802 1.611
170 HZ1 LYS 17 HZ1 LYS 17 5.205 12.585 1.086
171 HZ2 LYS 17 HZ2 LYS 17 6.349 13.457 1.990
172 HZ3 LYS 17 HZ3 LYS 17 4.868 13.017 2.693
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 -0.957 -9.031 -6.620
2 H2 GLU 1 HT2 GLU 1 -2.563 -9.080 -6.063
3 H3 GLU 1 HT3 GLU 1 -1.743 -10.524 -6.424
4 HA GLU 1 HA GLU 1 -1.335 -10.637 -4.280
5 HB2 GLU 1 HB2 GLU 1 0.892 -9.994 -5.291
6 HB3 GLU 1 HB1 GLU 1 0.519 -8.271 -4.932
7 HG2 GLU 1 HG2 GLU 1 0.474 -8.764 -2.474
8 HG3 GLU 1 HG1 GLU 1 0.798 -10.511 -2.811
9 H MET 2 HN MET 2 -1.860 -7.190 -5.224
10 HA MET 2 HA MET 2 -3.357 -6.909 -2.744
11 HB2 MET 2 HB2 MET 2 -0.979 -5.305 -3.571
12 HB3 MET 2 HB1 MET 2 -2.403 -4.339 -3.056
13 HG2 MET 2 HG2 MET 2 -0.542 -6.080 -1.458
14 HG3 MET 2 HG1 MET 2 -1.336 -4.527 -1.055
15 HE1 MET 2 HE1 MET 2 -4.559 -4.862 -0.004
16 HE2 MET 2 HE2 MET 2 -4.919 -5.888 -1.437
17 HE3 MET 2 HE3 MET 2 -3.770 -4.519 -1.581
18 H ARG 3 HN ARG 3 -4.367 -4.486 -2.944
19 HA ARG 3 HA ARG 3 -5.697 -4.566 -5.463
20 HB2 ARG 3 HB2 ARG 3 -6.861 -5.383 -3.250
21 HB3 ARG 3 HB1 ARG 3 -6.801 -3.621 -2.848
22 HG2 ARG 3 HG2 ARG 3 -7.962 -4.413 -5.532
23 HG3 ARG 3 HG1 ARG 3 -8.945 -4.752 -4.060
24 HD2 ARG 3 HD2 ARG 3 -7.704 -2.069 -3.918
25 HD3 ARG 3 HD1 ARG 3 -8.737 -2.249 -5.411
26 HE ARG 3 HE ARG 3 -10.183 -3.339 -3.175
27 HH11 ARG 3 HH11 ARG 3 -8.904 -0.263 -4.432
28 HH12 ARG 3 HH12 ARG 3 -10.127 0.724 -3.702
29 HH21 ARG 3 HH21 ARG 3 -11.848 -2.000 -2.180
30 HH22 ARG 3 HH22 ARG 3 -11.830 -0.282 -2.399
31 H LEU 4 HN LEU 4 -4.227 -3.013 -2.878
32 HA LEU 4 HA LEU 4 -5.121 -0.439 -3.419
33 HB2 LEU 4 HB2 LEU 4 -2.468 -0.601 -2.347
34 HB3 LEU 4 HB1 LEU 4 -3.917 0.069 -1.586
35 HG LEU 4 HG LEU 4 -3.313 -2.833 -1.743
36 HD11 LEU 4 HD11 LEU 4 -2.898 -1.823 0.915
37 HD12 LEU 4 HD12 LEU 4 -1.966 -0.813 -0.275
38 HD13 LEU 4 HD13 LEU 4 -1.733 -2.602 -0.236
39 HD21 LEU 4 HD21 LEU 4 -4.946 -2.676 0.382
40 HD22 LEU 4 HD22 LEU 4 -5.588 -2.761 -1.311
41 HD23 LEU 4 HD23 LEU 4 -5.486 -1.168 -0.455
42 H SER 5 HN SER 5 -2.449 -2.391 -3.828
43 HA SER 5 HA SER 5 -0.451 -1.176 -4.621
44 HB2 SER 5 HB2 SER 5 0.355 -3.157 -5.058
45 HB3 SER 5 HB1 SER 5 -1.315 -3.674 -4.552
46 HG SER 5 HG SER 5 -0.454 -3.157 -7.239
47 H LYS 6 HN LYS 6 -3.114 -0.672 -6.581
48 HA LYS 6 HA LYS 6 -1.432 0.226 -8.758
49 HB2 LYS 6 HB2 LYS 6 -4.352 0.913 -8.006
50 HB3 LYS 6 HB1 LYS 6 -3.511 1.421 -9.513
51 HG2 LYS 6 HG2 LYS 6 -3.413 -0.862 -10.341
52 HG3 LYS 6 HG1 LYS 6 -3.955 -1.529 -8.761
53 HD2 LYS 6 HD2 LYS 6 -5.843 -1.584 -10.282
54 HD3 LYS 6 HD1 LYS 6 -6.152 -0.310 -9.053
55 HE2 LYS 6 HE2 LYS 6 -5.490 1.464 -10.681
56 HE3 LYS 6 HE1 LYS 6 -5.084 0.200 -11.916
57 HZ1 LYS 6 HZ1 LYS 6 -7.182 0.096 -12.474
58 HZ2 LYS 6 HZ2 LYS 6 -7.523 1.393 -11.431
59 HZ3 LYS 6 HZ3 LYS 6 -7.687 -0.206 -10.882
60 H PHE 7 HN PHE 7 -1.755 0.447 -5.505
61 HA PHE 7 HA PHE 7 -2.139 3.205 -5.022
62 HB2 PHE 7 HB2 PHE 7 -3.147 1.274 -3.957
63 HB3 PHE 7 HB1 PHE 7 -1.638 0.839 -3.201
64 HD1 PHE 7 HD1 PHE 7 -4.582 1.565 -2.465
65 HD2 PHE 7 HD2 PHE 7 -0.799 3.388 -2.385
66 HE1 PHE 7 HE1 PHE 7 -5.016 2.494 -0.304
67 HE2 PHE 7 HE2 PHE 7 -1.066 4.346 -0.408
68 HZ PHE 7 HZ PHE 7 -3.321 4.001 0.835
69 H PHE 8 HN PHE 8 -0.179 0.618 -3.660
70 HA PHE 8 HA PHE 8 1.215 2.698 -2.347
71 HB2 PHE 8 HB2 PHE 8 2.628 0.575 -1.574
72 HB3 PHE 8 HB1 PHE 8 1.080 0.937 -0.767
73 HD1 PHE 8 HD1 PHE 8 3.077 -1.146 -2.242
74 HD2 PHE 8 HD2 PHE 8 -0.887 -0.057 -1.698
75 HE1 PHE 8 HE1 PHE 8 2.473 -3.265 -2.877
76 HE2 PHE 8 HE2 PHE 8 -1.538 -2.233 -2.373
77 HZ PHE 8 HZ PHE 8 0.143 -3.854 -2.918
78 H ARG 9 HN ARG 9 1.147 0.152 -4.367
79 HA ARG 9 HA ARG 9 3.822 0.099 -4.811
80 HB2 ARG 9 HB2 ARG 9 1.330 -1.043 -5.799
81 HB3 ARG 9 HB1 ARG 9 2.624 -0.918 -7.067
82 HG2 ARG 9 HG2 ARG 9 3.192 -2.191 -4.354
83 HG3 ARG 9 HG1 ARG 9 2.342 -3.139 -5.619
84 HD2 ARG 9 HD2 ARG 9 5.012 -1.695 -6.152
85 HD3 ARG 9 HD1 ARG 9 4.930 -3.397 -5.513
86 HE ARG 9 HE ARG 9 3.212 -3.277 -7.786
87 HH11 ARG 9 HH11 ARG 9 6.647 -2.843 -6.947
88 HH12 ARG 9 HH12 ARG 9 7.248 -3.371 -8.484
89 HH21 ARG 9 HH21 ARG 9 4.030 -3.995 -9.875
90 HH22 ARG 9 HH22 ARG 9 5.733 -4.037 -10.176
91 H ASP 10 HN ASP 10 1.462 2.156 -5.045
92 HA ASP 10 HA ASP 10 2.673 3.219 -7.298
93 HB2 ASP 10 HB2 ASP 10 0.504 2.218 -7.486
94 HB3 ASP 10 HB1 ASP 10 -0.072 3.685 -6.616
95 H DPN 11 HN DPN 11 2.299 3.692 -4.005
96 HA DPN 11 HA DPN 11 1.990 6.543 -4.480
97 HB2 DPN 11 HB1 DPN 11 4.499 6.312 -3.261
98 HB3 DPN 11 HB2 DPN 11 4.147 7.009 -4.884
99 HD1 DPN 11 HD1 DPN 11 4.511 5.561 -6.862
100 HD2 DPN 11 HD2 DPN 11 4.924 4.493 -2.878
101 HE1 DPN 11 HE1 DPN 11 4.923 3.207 -7.451
102 HE2 DPN 11 HE2 DPN 11 5.315 2.311 -3.421
103 HZ DPN 11 HZ DPN 11 5.225 1.734 -5.561
104 H ILE 12 HN ILE 12 3.889 4.868 -2.049
105 HA ILE 12 HA ILE 12 3.373 6.755 -0.119
106 HB ILE 12 HB ILE 12 2.472 4.680 1.351
107 HG12 ILE 12 HG12 ILE 12 0.644 3.631 0.065
108 HG13 ILE 12 HG11 ILE 12 1.197 4.523 -1.412
109 HG21 ILE 12 HG21 ILE 12 0.090 5.980 0.603
110 HG22 ILE 12 HG22 ILE 12 1.347 7.206 0.191
111 HG23 ILE 12 HG23 ILE 12 1.230 6.562 1.874
112 HD11 ILE 12 HD11 ILE 12 2.846 3.158 -1.759
113 HD12 ILE 12 HD12 ILE 12 2.208 2.149 -0.379
114 HD13 ILE 12 HD13 ILE 12 3.403 3.358 -0.082
115 H LEU 13 HN LEU 13 4.926 4.318 -1.716
116 HA LEU 13 HA LEU 13 6.612 3.519 0.542
117 HB2 LEU 13 HB2 LEU 13 6.660 2.474 -2.303
118 HB3 LEU 13 HB1 LEU 13 7.185 1.620 -0.807
119 HG LEU 13 HG LEU 13 4.418 2.441 -1.611
120 HD11 LEU 13 HD11 LEU 13 4.456 0.639 -2.906
121 HD12 LEU 13 HD12 LEU 13 4.569 -0.382 -1.406
122 HD13 LEU 13 HD13 LEU 13 6.066 0.139 -2.273
123 HD21 LEU 13 HD21 LEU 13 4.770 2.609 0.811
124 HD22 LEU 13 HD22 LEU 13 5.428 0.912 0.862
125 HD23 LEU 13 HD23 LEU 13 3.695 1.192 0.434
126 H GLN 14 HN GLN 14 6.632 4.446 -2.918
127 HA GLN 14 HA GLN 14 9.463 4.760 -2.964
128 HB2 GLN 14 HB2 GLN 14 7.465 6.327 -4.672
129 HB3 GLN 14 HB1 GLN 14 9.196 6.025 -5.060
130 HG2 GLN 14 HG2 GLN 14 6.871 4.116 -5.016
131 HG3 GLN 14 HG1 GLN 14 7.937 4.512 -6.408
132 HE21 GLN 14 HE21 GLN 14 7.254 2.514 -3.805
133 HE22 GLN 14 HE22 GLN 14 8.707 1.553 -3.756
134 H ARG 15 HN ARG 15 6.756 6.431 -1.788
135 HA ARG 15 HA ARG 15 8.390 8.844 -1.592
136 HB2 ARG 15 HB2 ARG 15 5.612 8.856 -0.459
137 HB3 ARG 15 HB1 ARG 15 6.460 10.138 -1.384
138 HG2 ARG 15 HG2 ARG 15 5.677 9.392 -3.404
139 HG3 ARG 15 HG1 ARG 15 5.797 7.656 -2.933
140 HD2 ARG 15 HD2 ARG 15 3.408 8.306 -3.192
141 HD3 ARG 15 HD1 ARG 15 3.787 7.913 -1.456
142 HE ARG 15 HE ARG 15 3.487 10.223 -0.913
143 HH11 ARG 15 HH11 ARG 15 3.511 9.702 -4.446
144 HH12 ARG 15 HH12 ARG 15 2.946 11.292 -4.836
145 HH21 ARG 15 HH21 ARG 15 2.719 12.378 -1.453
146 HH22 ARG 15 HH22 ARG 15 2.490 12.838 -3.106
147 H LYS 16 HN LYS 16 6.915 6.139 -0.070
148 HA LYS 16 HA LYS 16 7.080 5.194 1.845
149 HB2 LYS 16 HB2 LYS 16 9.097 7.390 2.299
150 HB3 LYS 16 HB1 LYS 16 8.515 6.481 3.726
151 HG2 LYS 16 HG2 LYS 16 10.172 4.997 3.253
152 HG3 LYS 16 HG1 LYS 16 9.089 4.429 1.933
153 HD2 LYS 16 HD2 LYS 16 11.126 4.808 0.808
154 HD3 LYS 16 HD1 LYS 16 10.197 6.313 0.481
155 HE2 LYS 16 HE2 LYS 16 11.450 7.515 2.271
156 HE3 LYS 16 HE1 LYS 16 12.334 5.990 2.702
157 HZ1 LYS 16 HZ1 LYS 16 13.287 7.774 1.050
158 HZ2 LYS 16 HZ2 LYS 16 12.401 6.874 -0.086
159 HZ3 LYS 16 HZ3 LYS 16 13.587 6.113 0.862
160 H LYS 17 HN LYS 17 5.401 7.774 1.146
161 HA LYS 17 HA LYS 17 3.775 7.468 3.383
162 HB2 LYS 17 HB2 LYS 17 3.871 10.027 4.037
163 HB3 LYS 17 HB1 LYS 17 5.057 8.897 4.766
164 HG2 LYS 17 HG2 LYS 17 6.522 10.544 4.119
165 HG3 LYS 17 HG1 LYS 17 6.516 9.587 2.604
166 HD2 LYS 17 HD2 LYS 17 4.458 11.206 1.977
167 HD3 LYS 17 HD1 LYS 17 5.213 12.271 3.214
168 HE2 LYS 17 HE2 LYS 17 7.394 12.178 1.958
169 HE3 LYS 17 HE1 LYS 17 6.615 11.116 0.710
170 HZ1 LYS 17 HZ1 LYS 17 6.693 13.830 0.722
171 HZ2 LYS 17 HZ2 LYS 17 5.116 13.497 1.257
172 HZ3 LYS 17 HZ3 LYS 17 5.667 12.854 -0.214
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 -0.953 -9.074 -6.767
2 H2 GLU 1 HT2 GLU 1 -2.549 -9.135 -6.187
3 H3 GLU 1 HT3 GLU 1 -1.723 -10.573 -6.556
4 HA GLU 1 HA GLU 1 -1.271 -10.679 -4.422
5 HB2 GLU 1 HB2 GLU 1 0.552 -8.370 -5.295
6 HB3 GLU 1 HB1 GLU 1 0.708 -9.177 -3.693
7 HG2 GLU 1 HG2 GLU 1 1.209 -11.353 -4.770
8 HG3 GLU 1 HG1 GLU 1 0.917 -10.645 -6.408
9 H MET 2 HN MET 2 -1.851 -7.231 -5.339
10 HA MET 2 HA MET 2 -3.340 -6.994 -2.852
11 HB2 MET 2 HB2 MET 2 -0.975 -5.360 -3.657
12 HB3 MET 2 HB1 MET 2 -2.406 -4.412 -3.127
13 HG2 MET 2 HG2 MET 2 -0.531 -6.163 -1.557
14 HG3 MET 2 HG1 MET 2 -1.335 -4.621 -1.130
15 HE1 MET 2 HE1 MET 2 -3.770 -4.624 -1.653
16 HE2 MET 2 HE2 MET 2 -4.553 -4.994 -0.080
17 HE3 MET 2 HE3 MET 2 -4.910 -6.005 -1.527
18 H ARG 3 HN ARG 3 -4.367 -4.575 -3.014
19 HA ARG 3 HA ARG 3 -5.702 -4.628 -5.534
20 HB2 ARG 3 HB2 ARG 3 -6.856 -5.488 -3.332
21 HB3 ARG 3 HB1 ARG 3 -6.807 -3.733 -2.901
22 HG2 ARG 3 HG2 ARG 3 -7.967 -4.481 -5.596
23 HG3 ARG 3 HG1 ARG 3 -8.945 -4.861 -4.131
24 HD2 ARG 3 HD2 ARG 3 -7.721 -2.168 -3.945
25 HD3 ARG 3 HD1 ARG 3 -8.772 -2.331 -5.427
26 HE ARG 3 HE ARG 3 -10.185 -3.476 -3.202
27 HH11 ARG 3 HH11 ARG 3 -8.925 -0.361 -4.381
28 HH12 ARG 3 HH12 ARG 3 -10.139 0.602 -3.604
29 HH21 ARG 3 HH21 ARG 3 -11.838 -2.169 -2.145
30 HH22 ARG 3 HH22 ARG 3 -11.823 -0.446 -2.311
31 H LEU 4 HN LEU 4 -4.240 -3.103 -2.927
32 HA LEU 4 HA LEU 4 -5.156 -0.528 -3.430
33 HB2 LEU 4 HB2 LEU 4 -2.502 -0.684 -2.360
34 HB3 LEU 4 HB1 LEU 4 -3.956 -0.038 -1.590
35 HG LEU 4 HG LEU 4 -3.328 -2.932 -1.790
36 HD11 LEU 4 HD11 LEU 4 -1.994 -0.924 -0.292
37 HD12 LEU 4 HD12 LEU 4 -1.750 -2.712 -0.279
38 HD13 LEU 4 HD13 LEU 4 -2.921 -1.951 0.884
39 HD21 LEU 4 HD21 LEU 4 -4.960 -2.820 0.338
40 HD22 LEU 4 HD22 LEU 4 -5.602 -2.887 -1.356
41 HD23 LEU 4 HD23 LEU 4 -5.514 -1.305 -0.477
42 H SER 5 HN SER 5 -2.468 -2.453 -3.869
43 HA SER 5 HA SER 5 -0.479 -1.208 -4.643
44 HB2 SER 5 HB2 SER 5 0.342 -3.178 -5.108
45 HB3 SER 5 HB1 SER 5 -1.324 -3.716 -4.613
46 HG SER 5 HG SER 5 -0.464 -3.149 -7.290
47 H LYS 6 HN LYS 6 -3.152 -0.703 -6.605
48 HA LYS 6 HA LYS 6 -1.480 0.245 -8.764
49 HB2 LYS 6 HB2 LYS 6 -4.401 0.879 -7.974
50 HB3 LYS 6 HB1 LYS 6 -3.583 1.432 -9.477
51 HG2 LYS 6 HG2 LYS 6 -3.369 -0.911 -10.263
52 HG3 LYS 6 HG1 LYS 6 -4.105 -1.514 -8.737
53 HD2 LYS 6 HD2 LYS 6 -6.203 -0.285 -9.257
54 HD3 LYS 6 HD1 LYS 6 -5.480 0.332 -10.782
55 HE2 LYS 6 HE2 LYS 6 -5.263 -2.024 -11.637
56 HE3 LYS 6 HE1 LYS 6 -5.989 -2.644 -10.095
57 HZ1 LYS 6 HZ1 LYS 6 -8.012 -1.919 -10.674
58 HZ2 LYS 6 HZ2 LYS 6 -7.394 -2.125 -12.242
59 HZ3 LYS 6 HZ3 LYS 6 -7.454 -0.576 -11.549
60 H PHE 7 HN PHE 7 -1.796 0.415 -5.505
61 HA PHE 7 HA PHE 7 -2.199 3.163 -4.979
62 HB2 PHE 7 HB2 PHE 7 -3.194 1.209 -3.944
63 HB3 PHE 7 HB1 PHE 7 -1.680 0.773 -3.197
64 HD1 PHE 7 HD1 PHE 7 -4.629 1.468 -2.445
65 HD2 PHE 7 HD2 PHE 7 -0.857 3.314 -2.341
66 HE1 PHE 7 HE1 PHE 7 -5.066 2.357 -0.269
67 HE2 PHE 7 HE2 PHE 7 -1.128 4.235 -0.347
68 HZ PHE 7 HZ PHE 7 -3.378 3.855 0.893
69 H PHE 8 HN PHE 8 -0.220 0.569 -3.657
70 HA PHE 8 HA PHE 8 1.164 2.641 -2.319
71 HB2 PHE 8 HB2 PHE 8 2.585 0.519 -1.568
72 HB3 PHE 8 HB1 PHE 8 1.037 0.865 -0.757
73 HD1 PHE 8 HD1 PHE 8 3.047 -1.190 -2.252
74 HD2 PHE 8 HD2 PHE 8 -0.926 -0.136 -1.705
75 HE1 PHE 8 HE1 PHE 8 2.461 -3.302 -2.917
76 HE2 PHE 8 HE2 PHE 8 -1.559 -2.309 -2.412
77 HZ PHE 8 HZ PHE 8 0.137 -3.908 -2.975
78 H ARG 9 HN ARG 9 1.112 0.112 -4.363
79 HA ARG 9 HA ARG 9 3.786 0.089 -4.810
80 HB2 ARG 9 HB2 ARG 9 1.303 -1.059 -5.816
81 HB3 ARG 9 HB1 ARG 9 2.595 -0.906 -7.081
82 HG2 ARG 9 HG2 ARG 9 3.163 -2.215 -4.385
83 HG3 ARG 9 HG1 ARG 9 2.336 -3.150 -5.674
84 HD2 ARG 9 HD2 ARG 9 5.000 -1.670 -6.144
85 HD3 ARG 9 HD1 ARG 9 4.920 -3.391 -5.557
86 HE ARG 9 HE ARG 9 3.230 -3.216 -7.845
87 HH11 ARG 9 HH11 ARG 9 6.651 -2.773 -6.957
88 HH12 ARG 9 HH12 ARG 9 7.274 -3.245 -8.503
89 HH21 ARG 9 HH21 ARG 9 4.076 -3.858 -9.948
90 HH22 ARG 9 HH22 ARG 9 5.784 -3.872 -10.232
91 H ASP 10 HN ASP 10 1.416 2.136 -5.016
92 HA ASP 10 HA ASP 10 2.609 3.233 -7.260
93 HB2 ASP 10 HB2 ASP 10 0.415 2.201 -7.367
94 HB3 ASP 10 HB1 ASP 10 -0.129 3.733 -6.589
95 H DPN 11 HN DPN 11 2.240 3.669 -3.959
96 HA DPN 11 HA DPN 11 1.920 6.528 -4.409
97 HB2 DPN 11 HB1 DPN 11 4.428 6.276 -3.166
98 HB3 DPN 11 HB2 DPN 11 4.085 7.008 -4.777
99 HD1 DPN 11 HD1 DPN 11 4.439 5.586 -6.784
100 HD2 DPN 11 HD2 DPN 11 4.864 4.457 -2.818
101 HE1 DPN 11 HE1 DPN 11 4.856 3.243 -7.410
102 HE2 DPN 11 HE2 DPN 11 5.265 2.283 -3.394
103 HZ DPN 11 HZ DPN 11 5.172 1.740 -5.547
104 H ILE 12 HN ILE 12 3.823 4.849 -2.007
105 HA ILE 12 HA ILE 12 3.243 6.695 -0.044
106 HB ILE 12 HB ILE 12 2.393 4.574 1.393
107 HG12 ILE 12 HG12 ILE 12 0.597 3.501 0.084
108 HG13 ILE 12 HG11 ILE 12 1.141 4.425 -1.379
109 HG21 ILE 12 HG21 ILE 12 0.873 6.207 1.939
110 HG22 ILE 12 HG22 ILE 12 0.024 5.918 0.374
111 HG23 ILE 12 HG23 ILE 12 1.346 7.136 0.466
112 HD11 ILE 12 HD11 ILE 12 3.365 3.313 -0.056
113 HD12 ILE 12 HD12 ILE 12 2.803 3.090 -1.728
114 HD13 ILE 12 HD13 ILE 12 2.195 2.062 -0.356
115 H LEU 13 HN LEU 13 4.835 4.257 -1.655
116 HA LEU 13 HA LEU 13 6.572 3.495 0.573
117 HB2 LEU 13 HB2 LEU 13 6.607 2.438 -2.267
118 HB3 LEU 13 HB1 LEU 13 7.142 1.595 -0.767
119 HG LEU 13 HG LEU 13 4.375 2.404 -1.563
120 HD11 LEU 13 HD11 LEU 13 4.425 0.614 -2.873
121 HD12 LEU 13 HD12 LEU 13 4.505 -0.410 -1.371
122 HD13 LEU 13 HD13 LEU 13 6.021 0.092 -2.217
123 HD21 LEU 13 HD21 LEU 13 5.404 0.887 0.912
124 HD22 LEU 13 HD22 LEU 13 3.666 1.145 0.492
125 HD23 LEU 13 HD23 LEU 13 4.734 2.577 0.864
126 H GLN 14 HN GLN 14 6.575 4.404 -2.907
127 HA GLN 14 HA GLN 14 9.408 4.660 -2.967
128 HB2 GLN 14 HB2 GLN 14 7.453 6.307 -4.648
129 HB3 GLN 14 HB1 GLN 14 9.173 5.952 -5.046
130 HG2 GLN 14 HG2 GLN 14 6.801 4.105 -4.982
131 HG3 GLN 14 HG1 GLN 14 7.837 4.495 -6.397
132 HE21 GLN 14 HE21 GLN 14 7.188 2.479 -3.791
133 HE22 GLN 14 HE22 GLN 14 8.624 1.492 -3.793
134 H ARG 15 HN ARG 15 6.794 6.346 -1.695
135 HA ARG 15 HA ARG 15 8.452 8.738 -1.513
136 HB2 ARG 15 HB2 ARG 15 5.699 8.747 -0.283
137 HB3 ARG 15 HB1 ARG 15 6.531 10.038 -1.218
138 HG2 ARG 15 HG2 ARG 15 5.695 9.311 -3.230
139 HG3 ARG 15 HG1 ARG 15 5.781 7.572 -2.763
140 HD2 ARG 15 HD2 ARG 15 3.398 8.390 -2.986
141 HD3 ARG 15 HD1 ARG 15 3.803 7.803 -1.315
142 HE ARG 15 HE ARG 15 3.573 10.031 -0.516
143 HH11 ARG 15 HH11 ARG 15 3.664 9.946 -4.085
144 HH12 ARG 15 HH12 ARG 15 3.211 11.604 -4.287
145 HH21 ARG 15 HH21 ARG 15 2.957 12.282 -0.801
146 HH22 ARG 15 HH22 ARG 15 2.803 12.954 -2.390
147 H LYS 16 HN LYS 16 6.876 6.060 0.122
148 HA LYS 16 HA LYS 16 6.835 5.290 2.162
149 HB2 LYS 16 HB2 LYS 16 9.104 7.257 2.690
150 HB3 LYS 16 HB1 LYS 16 8.572 6.008 3.851
151 HG2 LYS 16 HG2 LYS 16 9.795 5.487 1.076
152 HG3 LYS 16 HG1 LYS 16 10.665 5.369 2.641
153 HD2 LYS 16 HD2 LYS 16 9.021 3.586 3.376
154 HD3 LYS 16 HD1 LYS 16 8.262 3.660 1.748
155 HE2 LYS 16 HE2 LYS 16 10.436 2.963 0.696
156 HE3 LYS 16 HE1 LYS 16 11.203 2.890 2.337
157 HZ1 LYS 16 HZ1 LYS 16 8.817 1.430 2.392
158 HZ2 LYS 16 HZ2 LYS 16 10.415 0.879 2.545
159 HZ3 LYS 16 HZ3 LYS 16 9.686 0.953 1.014
160 H LYS 17 HN LYS 17 5.455 7.641 1.194
161 HA LYS 17 HA LYS 17 4.225 9.326 1.793
162 HB2 LYS 17 HB2 LYS 17 3.917 7.371 3.966
163 HB3 LYS 17 HB1 LYS 17 3.716 9.046 4.593
164 HG2 LYS 17 HG2 LYS 17 2.204 7.730 2.280
165 HG3 LYS 17 HG1 LYS 17 1.537 8.211 3.879
166 HD2 LYS 17 HD2 LYS 17 1.045 10.267 3.050
167 HD3 LYS 17 HD1 LYS 17 2.788 10.549 2.716
168 HE2 LYS 17 HE2 LYS 17 1.829 10.835 0.575
169 HE3 LYS 17 HE1 LYS 17 2.327 9.090 0.522
170 HZ1 LYS 17 HZ1 LYS 17 0.208 8.910 -0.134
171 HZ2 LYS 17 HZ2 LYS 17 -0.329 10.301 0.679
172 HZ3 LYS 17 HZ3 LYS 17 -0.093 8.856 1.537
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 -0.339 -11.474 -4.281
2 H2 GLU 1 HT2 GLU 1 -0.584 -10.513 -2.900
3 H3 GLU 1 HT3 GLU 1 0.739 -10.209 -3.924
4 HA GLU 1 HA GLU 1 -0.430 -9.027 -5.336
5 HB2 GLU 1 HB2 GLU 1 -2.708 -9.649 -6.142
6 HB3 GLU 1 HB1 GLU 1 -1.586 -11.054 -6.203
7 HG2 GLU 1 HG2 GLU 1 -2.532 -11.886 -4.002
8 HG3 GLU 1 HG1 GLU 1 -3.706 -10.511 -4.012
9 H MET 2 HN MET 2 -1.909 -7.168 -5.261
10 HA MET 2 HA MET 2 -3.362 -6.922 -2.759
11 HB2 MET 2 HB2 MET 2 -0.993 -5.297 -3.562
12 HB3 MET 2 HB1 MET 2 -2.420 -4.338 -3.045
13 HG2 MET 2 HG2 MET 2 -0.565 -6.095 -1.456
14 HG3 MET 2 HG1 MET 2 -1.355 -4.542 -1.043
15 HE1 MET 2 HE1 MET 2 -4.941 -5.888 -1.446
16 HE2 MET 2 HE2 MET 2 -3.786 -4.521 -1.570
17 HE3 MET 2 HE3 MET 2 -4.582 -4.877 -0.000
18 H ARG 3 HN ARG 3 -4.374 -4.485 -2.936
19 HA ARG 3 HA ARG 3 -5.718 -4.555 -5.449
20 HB2 ARG 3 HB2 ARG 3 -6.869 -5.378 -3.230
21 HB3 ARG 3 HB1 ARG 3 -6.807 -3.617 -2.824
22 HG2 ARG 3 HG2 ARG 3 -7.983 -4.401 -5.503
23 HG3 ARG 3 HG1 ARG 3 -8.957 -4.744 -4.027
24 HD2 ARG 3 HD2 ARG 3 -7.715 -2.062 -3.883
25 HD3 ARG 3 HD1 ARG 3 -8.753 -2.236 -5.373
26 HE ARG 3 HE ARG 3 -10.188 -3.331 -3.130
27 HH11 ARG 3 HH11 ARG 3 -8.925 -0.255 -4.398
28 HH12 ARG 3 HH12 ARG 3 -10.148 0.730 -3.666
29 HH21 ARG 3 HH21 ARG 3 -11.855 -1.995 -2.131
30 HH22 ARG 3 HH22 ARG 3 -11.841 -0.278 -2.354
31 H LEU 4 HN LEU 4 -4.234 -3.014 -2.865
32 HA LEU 4 HA LEU 4 -5.124 -0.435 -3.398
33 HB2 LEU 4 HB2 LEU 4 -2.471 -0.605 -2.333
34 HB3 LEU 4 HB1 LEU 4 -3.915 0.066 -1.567
35 HG LEU 4 HG LEU 4 -3.318 -2.837 -1.731
36 HD11 LEU 4 HD11 LEU 4 -1.736 -2.613 -0.225
37 HD12 LEU 4 HD12 LEU 4 -2.897 -1.827 0.929
38 HD13 LEU 4 HD13 LEU 4 -1.961 -0.823 -0.264
39 HD21 LEU 4 HD21 LEU 4 -5.485 -1.170 -0.434
40 HD22 LEU 4 HD22 LEU 4 -4.945 -2.681 0.398
41 HD23 LEU 4 HD23 LEU 4 -5.593 -2.759 -1.294
42 H SER 5 HN SER 5 -2.457 -2.393 -3.816
43 HA SER 5 HA SER 5 -0.458 -1.181 -4.612
44 HB2 SER 5 HB2 SER 5 0.342 -3.164 -5.049
45 HB3 SER 5 HB1 SER 5 -1.330 -3.679 -4.546
46 HG SER 5 HG SER 5 -0.471 -3.155 -7.232
47 H LYS 6 HN LYS 6 -3.124 -0.670 -6.563
48 HA LYS 6 HA LYS 6 -1.445 0.225 -8.745
49 HB2 LYS 6 HB2 LYS 6 -4.363 0.918 -7.987
50 HB3 LYS 6 HB1 LYS 6 -3.523 1.423 -9.496
51 HG2 LYS 6 HG2 LYS 6 -3.438 -0.857 -10.326
52 HG3 LYS 6 HG1 LYS 6 -3.966 -1.526 -8.744
53 HD2 LYS 6 HD2 LYS 6 -5.879 -1.591 -10.215
54 HD3 LYS 6 HD1 LYS 6 -6.163 -0.276 -9.025
55 HE2 LYS 6 HE2 LYS 6 -6.842 0.527 -11.250
56 HE3 LYS 6 HE1 LYS 6 -5.321 1.398 -10.791
57 HZ1 LYS 6 HZ1 LYS 6 -4.709 -1.027 -12.105
58 HZ2 LYS 6 HZ2 LYS 6 -4.348 0.573 -12.550
59 HZ3 LYS 6 HZ3 LYS 6 -5.811 -0.136 -13.040
60 H PHE 7 HN PHE 7 -1.761 0.444 -5.491
61 HA PHE 7 HA PHE 7 -2.136 3.203 -5.006
62 HB2 PHE 7 HB2 PHE 7 -3.148 1.275 -3.940
63 HB3 PHE 7 HB1 PHE 7 -1.638 0.835 -3.188
64 HD1 PHE 7 HD1 PHE 7 -4.578 1.565 -2.445
65 HD2 PHE 7 HD2 PHE 7 -0.792 3.383 -2.373
66 HE1 PHE 7 HE1 PHE 7 -5.006 2.494 -0.283
67 HE2 PHE 7 HE2 PHE 7 -1.053 4.341 -0.396
68 HZ PHE 7 HZ PHE 7 -3.306 3.999 0.854
69 H PHE 8 HN PHE 8 -0.181 0.611 -3.649
70 HA PHE 8 HA PHE 8 1.221 2.684 -2.337
71 HB2 PHE 8 HB2 PHE 8 2.630 0.559 -1.570
72 HB3 PHE 8 HB1 PHE 8 1.086 0.924 -0.757
73 HD1 PHE 8 HD1 PHE 8 3.074 -1.163 -2.232
74 HD2 PHE 8 HD2 PHE 8 -0.886 -0.065 -1.689
75 HE1 PHE 8 HE1 PHE 8 2.466 -3.280 -2.869
76 HE2 PHE 8 HE2 PHE 8 -1.542 -2.239 -2.364
77 HZ PHE 8 HZ PHE 8 0.135 -3.863 -2.910
78 H ARG 9 HN ARG 9 1.142 0.140 -4.358
79 HA ARG 9 HA ARG 9 3.816 0.081 -4.807
80 HB2 ARG 9 HB2 ARG 9 1.318 -1.055 -5.790
81 HB3 ARG 9 HB1 ARG 9 2.612 -0.935 -7.059
82 HG2 ARG 9 HG2 ARG 9 3.189 -2.202 -4.346
83 HG3 ARG 9 HG1 ARG 9 2.320 -3.152 -5.598
84 HD2 ARG 9 HD2 ARG 9 4.991 -1.727 -6.170
85 HD3 ARG 9 HD1 ARG 9 4.910 -3.423 -5.515
86 HE ARG 9 HE ARG 9 3.168 -3.312 -7.770
87 HH11 ARG 9 HH11 ARG 9 6.614 -2.896 -6.971
88 HH12 ARG 9 HH12 ARG 9 7.196 -3.442 -8.508
89 HH21 ARG 9 HH21 ARG 9 3.959 -4.056 -9.861
90 HH22 ARG 9 HH22 ARG 9 5.660 -4.113 -10.179
91 H ASP 10 HN ASP 10 1.461 2.146 -5.036
92 HA ASP 10 HA ASP 10 2.669 3.202 -7.295
93 HB2 ASP 10 HB2 ASP 10 0.495 2.211 -7.472
94 HB3 ASP 10 HB1 ASP 10 -0.070 3.683 -6.602
95 H DPN 11 HN DPN 11 2.306 3.679 -4.001
96 HA DPN 11 HA DPN 11 2.014 6.534 -4.482
97 HB2 DPN 11 HB1 DPN 11 4.521 6.275 -3.248
98 HB3 DPN 11 HB2 DPN 11 4.179 6.988 -4.867
99 HD1 DPN 11 HD1 DPN 11 4.524 5.543 -6.857
100 HD2 DPN 11 HD2 DPN 11 4.932 4.457 -2.879
101 HE1 DPN 11 HE1 DPN 11 4.923 3.188 -7.454
102 HE2 DPN 11 HE2 DPN 11 5.314 2.277 -3.428
103 HZ DPN 11 HZ DPN 11 5.220 1.709 -5.567
104 H ILE 12 HN ILE 12 3.902 4.858 -2.047
105 HA ILE 12 HA ILE 12 3.386 6.746 -0.126
106 HB ILE 12 HB ILE 12 2.485 4.676 1.351
107 HG12 ILE 12 HG12 ILE 12 0.655 3.625 0.071
108 HG13 ILE 12 HG11 ILE 12 1.206 4.513 -1.409
109 HG21 ILE 12 HG21 ILE 12 0.102 5.974 0.617
110 HG22 ILE 12 HG22 ILE 12 1.353 7.196 0.181
111 HG23 ILE 12 HG23 ILE 12 1.254 6.568 1.871
112 HD11 ILE 12 HD11 ILE 12 2.222 2.142 -0.395
113 HD12 ILE 12 HD12 ILE 12 3.411 3.351 -0.065
114 HD13 ILE 12 HD13 ILE 12 2.859 3.149 -1.753
115 H LEU 13 HN LEU 13 4.933 4.306 -1.719
116 HA LEU 13 HA LEU 13 6.637 3.518 0.528
117 HB2 LEU 13 HB2 LEU 13 6.666 2.451 -2.310
118 HB3 LEU 13 HB1 LEU 13 7.194 1.606 -0.810
119 HG LEU 13 HG LEU 13 4.425 2.428 -1.608
120 HD11 LEU 13 HD11 LEU 13 4.573 -0.395 -1.393
121 HD12 LEU 13 HD12 LEU 13 6.065 0.123 -2.273
122 HD13 LEU 13 HD13 LEU 13 4.448 0.616 -2.894
123 HD21 LEU 13 HD21 LEU 13 3.704 1.187 0.440
124 HD22 LEU 13 HD22 LEU 13 4.786 2.603 0.811
125 HD23 LEU 13 HD23 LEU 13 5.439 0.906 0.866
126 H GLN 14 HN GLN 14 6.631 4.424 -2.945
127 HA GLN 14 HA GLN 14 9.462 4.733 -3.004
128 HB2 GLN 14 HB2 GLN 14 7.462 6.308 -4.701
129 HB3 GLN 14 HB1 GLN 14 9.192 5.998 -5.097
130 HG2 GLN 14 HG2 GLN 14 6.866 4.092 -5.025
131 HG3 GLN 14 HG1 GLN 14 7.911 4.486 -6.434
132 HE21 GLN 14 HE21 GLN 14 7.267 2.491 -3.815
133 HE22 GLN 14 HE22 GLN 14 8.722 1.533 -3.784
134 H ARG 15 HN ARG 15 6.786 6.395 -1.771
135 HA ARG 15 HA ARG 15 8.429 8.799 -1.586
136 HB2 ARG 15 HB2 ARG 15 5.646 8.822 -0.457
137 HB3 ARG 15 HB1 ARG 15 6.506 10.102 -1.376
138 HG2 ARG 15 HG2 ARG 15 5.748 9.351 -3.412
139 HG3 ARG 15 HG1 ARG 15 5.821 7.618 -2.923
140 HD2 ARG 15 HD2 ARG 15 3.457 8.308 -3.223
141 HD3 ARG 15 HD1 ARG 15 3.793 7.947 -1.468
142 HE ARG 15 HE ARG 15 4.302 10.724 -1.816
143 HH11 ARG 15 HH11 ARG 15 1.571 8.461 -2.234
144 HH12 ARG 15 HH12 ARG 15 0.351 9.650 -1.910
145 HH21 ARG 15 HH21 ARG 15 2.637 12.321 -1.376
146 HH22 ARG 15 HH22 ARG 15 0.966 11.872 -1.414
147 H LYS 16 HN LYS 16 6.853 6.137 -0.025
148 HA LYS 16 HA LYS 16 7.014 5.210 1.900
149 HB2 LYS 16 HB2 LYS 16 8.838 7.509 2.692
150 HB3 LYS 16 HB1 LYS 16 8.466 6.127 3.763
151 HG2 LYS 16 HG2 LYS 16 9.854 5.923 1.023
152 HG3 LYS 16 HG1 LYS 16 10.696 5.922 2.612
153 HD2 LYS 16 HD2 LYS 16 9.361 3.870 3.269
154 HD3 LYS 16 HD1 LYS 16 8.636 3.854 1.622
155 HE2 LYS 16 HE2 LYS 16 10.920 3.554 0.614
156 HE3 LYS 16 HE1 LYS 16 11.653 3.575 2.273
157 HZ1 LYS 16 HZ1 LYS 16 10.387 1.462 0.872
158 HZ2 LYS 16 HZ2 LYS 16 9.605 1.733 2.354
159 HZ3 LYS 16 HZ3 LYS 16 11.276 1.434 2.318
160 H LYS 17 HN LYS 17 5.376 7.796 1.130
161 HA LYS 17 HA LYS 17 3.772 7.557 3.413
162 HB2 LYS 17 HB2 LYS 17 3.852 10.200 3.828
163 HB3 LYS 17 HB1 LYS 17 4.977 9.108 4.698
164 HG2 LYS 17 HG2 LYS 17 6.430 10.773 3.953
165 HG3 LYS 17 HG1 LYS 17 6.604 9.542 2.663
166 HD2 LYS 17 HD2 LYS 17 4.749 10.870 1.383
167 HD3 LYS 17 HD1 LYS 17 5.023 12.174 2.589
168 HE2 LYS 17 HE2 LYS 17 7.474 12.218 1.934
169 HE3 LYS 17 HE1 LYS 17 7.121 10.964 0.670
170 HZ1 LYS 17 HZ1 LYS 17 5.536 12.502 -0.304
171 HZ2 LYS 17 HZ2 LYS 17 7.096 13.168 -0.239
172 HZ3 LYS 17 HZ3 LYS 17 5.908 13.676 0.863
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 -0.152 -10.272 -3.539
2 H2 GLU 1 HT2 GLU 1 -0.804 -11.667 -4.257
3 H3 GLU 1 HT3 GLU 1 -1.602 -10.932 -2.949
4 HA GLU 1 HA GLU 1 -1.104 -9.466 -5.437
5 HB2 GLU 1 HB2 GLU 1 -2.296 -11.598 -6.035
6 HB3 GLU 1 HB1 GLU 1 -3.526 -11.244 -4.775
7 HG2 GLU 1 HG2 GLU 1 -4.449 -10.639 -6.979
8 HG3 GLU 1 HG1 GLU 1 -4.158 -9.118 -6.049
9 H MET 2 HN MET 2 -1.266 -7.358 -4.695
10 HA MET 2 HA MET 2 -3.256 -6.864 -2.629
11 HB2 MET 2 HB2 MET 2 -0.843 -5.385 -3.644
12 HB3 MET 2 HB1 MET 2 -2.221 -4.385 -3.070
13 HG2 MET 2 HG2 MET 2 -0.280 -6.085 -1.537
14 HG3 MET 2 HG1 MET 2 -1.065 -4.531 -1.124
15 HE1 MET 2 HE1 MET 2 -4.700 -5.927 -1.131
16 HE2 MET 2 HE2 MET 2 -3.564 -4.624 -1.602
17 HE3 MET 2 HE3 MET 2 -4.118 -4.754 0.103
18 H ARG 3 HN ARG 3 -4.241 -4.552 -2.916
19 HA ARG 3 HA ARG 3 -5.515 -4.636 -5.491
20 HB2 ARG 3 HB2 ARG 3 -6.486 -4.369 -2.689
21 HB3 ARG 3 HB1 ARG 3 -7.449 -3.619 -4.016
22 HG2 ARG 3 HG2 ARG 3 -8.501 -5.726 -3.686
23 HG3 ARG 3 HG1 ARG 3 -7.412 -6.030 -5.088
24 HD2 ARG 3 HD2 ARG 3 -6.150 -7.552 -3.909
25 HD3 ARG 3 HD1 ARG 3 -6.049 -6.451 -2.460
26 HE ARG 3 HE ARG 3 -8.694 -7.378 -2.456
27 HH11 ARG 3 HH11 ARG 3 -5.448 -8.854 -2.537
28 HH12 ARG 3 HH12 ARG 3 -5.905 -10.270 -1.650
29 HH21 ARG 3 HH21 ARG 3 -9.311 -9.308 -1.253
30 HH22 ARG 3 HH22 ARG 3 -8.135 -10.532 -0.910
31 H LEU 4 HN LEU 4 -4.057 -3.116 -2.912
32 HA LEU 4 HA LEU 4 -5.035 -0.541 -3.405
33 HB2 LEU 4 HB2 LEU 4 -2.374 -0.654 -2.344
34 HB3 LEU 4 HB1 LEU 4 -3.835 -0.023 -1.572
35 HG LEU 4 HG LEU 4 -3.168 -2.909 -1.761
36 HD11 LEU 4 HD11 LEU 4 -1.598 -2.665 -0.249
37 HD12 LEU 4 HD12 LEU 4 -2.777 -1.909 0.909
38 HD13 LEU 4 HD13 LEU 4 -1.859 -0.879 -0.278
39 HD21 LEU 4 HD21 LEU 4 -5.407 -1.316 -0.528
40 HD22 LEU 4 HD22 LEU 4 -4.807 -2.748 0.396
41 HD23 LEU 4 HD23 LEU 4 -5.422 -2.954 -1.299
42 H SER 5 HN SER 5 -2.329 -2.430 -3.842
43 HA SER 5 HA SER 5 -0.354 -1.184 -4.640
44 HB2 SER 5 HB2 SER 5 0.468 -3.155 -5.087
45 HB3 SER 5 HB1 SER 5 -1.198 -3.697 -4.588
46 HG SER 5 HG SER 5 -0.334 -3.147 -7.268
47 H LYS 6 HN LYS 6 -3.033 -0.692 -6.564
48 HA LYS 6 HA LYS 6 -1.375 0.241 -8.750
49 HB2 LYS 6 HB2 LYS 6 -4.293 0.963 -8.029
50 HB3 LYS 6 HB1 LYS 6 -3.443 1.358 -9.563
51 HG2 LYS 6 HG2 LYS 6 -4.142 -1.485 -8.594
52 HG3 LYS 6 HG1 LYS 6 -5.075 -0.540 -9.804
53 HD2 LYS 6 HD2 LYS 6 -2.965 -0.420 -11.235
54 HD3 LYS 6 HD1 LYS 6 -2.162 -1.517 -10.061
55 HE2 LYS 6 HE2 LYS 6 -4.750 -2.212 -11.610
56 HE3 LYS 6 HE1 LYS 6 -3.080 -2.739 -12.081
57 HZ1 LYS 6 HZ1 LYS 6 -4.838 -3.757 -10.073
58 HZ2 LYS 6 HZ2 LYS 6 -3.300 -3.402 -9.446
59 HZ3 LYS 6 HZ3 LYS 6 -3.454 -4.446 -10.776
60 H PHE 7 HN PHE 7 -1.690 0.428 -5.502
61 HA PHE 7 HA PHE 7 -2.117 3.175 -4.991
62 HB2 PHE 7 HB2 PHE 7 -3.088 1.216 -3.940
63 HB3 PHE 7 HB1 PHE 7 -1.567 0.802 -3.195
64 HD1 PHE 7 HD1 PHE 7 -4.521 1.475 -2.443
65 HD2 PHE 7 HD2 PHE 7 -0.766 3.353 -2.359
66 HE1 PHE 7 HE1 PHE 7 -4.962 2.380 -0.273
67 HE2 PHE 7 HE2 PHE 7 -1.041 4.291 -0.375
68 HZ PHE 7 HZ PHE 7 -3.287 3.903 0.874
69 H PHE 8 HN PHE 8 -0.109 0.607 -3.663
70 HA PHE 8 HA PHE 8 1.260 2.695 -2.338
71 HB2 PHE 8 HB2 PHE 8 2.711 0.588 -1.596
72 HB3 PHE 8 HB1 PHE 8 1.164 0.919 -0.774
73 HD1 PHE 8 HD1 PHE 8 3.181 -1.120 -2.281
74 HD2 PHE 8 HD2 PHE 8 -0.795 -0.096 -1.701
75 HE1 PHE 8 HE1 PHE 8 2.604 -3.240 -2.932
76 HE2 PHE 8 HE2 PHE 8 -1.417 -2.274 -2.392
77 HZ PHE 8 HZ PHE 8 0.284 -3.865 -2.965
78 H ARG 9 HN ARG 9 1.222 0.168 -4.382
79 HA ARG 9 HA ARG 9 3.895 0.162 -4.840
80 HB2 ARG 9 HB2 ARG 9 1.415 -1.009 -5.828
81 HB3 ARG 9 HB1 ARG 9 2.704 -0.856 -7.098
82 HG2 ARG 9 HG2 ARG 9 3.304 -2.138 -4.396
83 HG3 ARG 9 HG1 ARG 9 2.454 -3.091 -5.658
84 HD2 ARG 9 HD2 ARG 9 5.102 -1.615 -6.210
85 HD3 ARG 9 HD1 ARG 9 5.047 -3.317 -5.572
86 HE ARG 9 HE ARG 9 3.310 -3.206 -7.834
87 HH11 ARG 9 HH11 ARG 9 6.746 -2.773 -7.007
88 HH12 ARG 9 HH12 ARG 9 7.343 -3.302 -8.544
89 HH21 ARG 9 HH21 ARG 9 4.119 -3.925 -9.926
90 HH22 ARG 9 HH22 ARG 9 5.823 -3.968 -10.233
91 H ASP 10 HN ASP 10 1.501 2.183 -5.044
92 HA ASP 10 HA ASP 10 2.681 3.282 -7.295
93 HB2 ASP 10 HB2 ASP 10 0.529 2.246 -7.481
94 HB3 ASP 10 HB1 ASP 10 -0.068 3.697 -6.596
95 H DPN 11 HN DPN 11 2.317 3.725 -3.997
96 HA DPN 11 HA DPN 11 1.957 6.574 -4.451
97 HB2 DPN 11 HB1 DPN 11 4.476 6.375 -3.246
98 HB3 DPN 11 HB2 DPN 11 4.105 7.077 -4.863
99 HD1 DPN 11 HD1 DPN 11 4.484 5.650 -6.853
100 HD2 DPN 11 HD2 DPN 11 4.934 4.561 -2.878
101 HE1 DPN 11 HE1 DPN 11 4.932 3.307 -7.460
102 HE2 DPN 11 HE2 DPN 11 5.357 2.388 -3.439
103 HZ DPN 11 HZ DPN 11 5.267 1.827 -5.582
104 H ILE 12 HN ILE 12 3.897 4.910 -2.043
105 HA ILE 12 HA ILE 12 3.362 6.776 -0.096
106 HB ILE 12 HB ILE 12 2.501 4.679 1.365
107 HG12 ILE 12 HG12 ILE 12 0.685 3.608 0.082
108 HG13 ILE 12 HG11 ILE 12 1.214 4.520 -1.393
109 HG21 ILE 12 HG21 ILE 12 1.230 6.535 1.907
110 HG22 ILE 12 HG22 ILE 12 0.095 5.946 0.635
111 HG23 ILE 12 HG23 ILE 12 1.331 7.195 0.229
112 HD11 ILE 12 HD11 ILE 12 2.273 2.156 -0.405
113 HD12 ILE 12 HD12 ILE 12 3.444 3.381 -0.066
114 HD13 ILE 12 HD13 ILE 12 2.890 3.186 -1.756
115 H LEU 13 HN LEU 13 4.944 4.374 -1.716
116 HA LEU 13 HA LEU 13 6.654 3.586 0.526
117 HB2 LEU 13 HB2 LEU 13 6.705 2.562 -2.326
118 HB3 LEU 13 HB1 LEU 13 7.251 1.707 -0.839
119 HG LEU 13 HG LEU 13 4.468 2.490 -1.622
120 HD11 LEU 13 HD11 LEU 13 6.149 0.214 -2.303
121 HD12 LEU 13 HD12 LEU 13 4.533 0.698 -2.934
122 HD13 LEU 13 HD13 LEU 13 4.657 -0.330 -1.440
123 HD21 LEU 13 HD21 LEU 13 3.773 1.219 0.416
124 HD22 LEU 13 HD22 LEU 13 4.836 2.647 0.799
125 HD23 LEU 13 HD23 LEU 13 5.513 0.958 0.833
126 H GLN 14 HN GLN 14 6.642 4.540 -2.927
127 HA GLN 14 HA GLN 14 9.469 4.895 -2.984
128 HB2 GLN 14 HB2 GLN 14 7.439 6.447 -4.670
129 HB3 GLN 14 HB1 GLN 14 9.174 6.171 -5.069
130 HG2 GLN 14 HG2 GLN 14 6.876 4.230 -5.027
131 HG3 GLN 14 HG1 GLN 14 7.927 4.652 -6.422
132 HE21 GLN 14 HE21 GLN 14 7.291 2.624 -3.830
133 HE22 GLN 14 HE22 GLN 14 8.757 1.685 -3.796
134 H ARG 15 HN ARG 15 6.744 6.519 -1.781
135 HA ARG 15 HA ARG 15 8.343 8.956 -1.581
136 HB2 ARG 15 HB2 ARG 15 5.572 8.915 -0.427
137 HB3 ARG 15 HB1 ARG 15 6.394 10.217 -1.350
138 HG2 ARG 15 HG2 ARG 15 5.610 9.471 -3.371
139 HG3 ARG 15 HG1 ARG 15 5.759 7.734 -2.910
140 HD2 ARG 15 HD2 ARG 15 3.361 8.346 -3.149
141 HD3 ARG 15 HD1 ARG 15 3.756 7.954 -1.417
142 HE ARG 15 HE ARG 15 3.425 10.258 -0.867
143 HH11 ARG 15 HH11 ARG 15 3.422 9.742 -4.400
144 HH12 ARG 15 HH12 ARG 15 2.826 11.322 -4.783
145 HH21 ARG 15 HH21 ARG 15 2.615 12.401 -1.396
146 HH22 ARG 15 HH22 ARG 15 2.361 12.857 -3.047
147 H LYS 16 HN LYS 16 6.910 6.225 -0.061
148 HA LYS 16 HA LYS 16 7.121 5.263 1.842
149 HB2 LYS 16 HB2 LYS 16 9.036 7.544 2.383
150 HB3 LYS 16 HB1 LYS 16 8.521 6.503 3.741
151 HG2 LYS 16 HG2 LYS 16 10.293 5.193 3.165
152 HG3 LYS 16 HG1 LYS 16 9.227 4.610 1.838
153 HD2 LYS 16 HD2 LYS 16 10.178 6.250 0.272
154 HD3 LYS 16 HD1 LYS 16 11.136 7.016 1.587
155 HE2 LYS 16 HE2 LYS 16 12.460 4.898 1.869
156 HE3 LYS 16 HE1 LYS 16 11.490 4.120 0.549
157 HZ1 LYS 16 HZ1 LYS 16 12.252 6.251 -0.727
158 HZ2 LYS 16 HZ2 LYS 16 13.257 4.889 -0.588
159 HZ3 LYS 16 HZ3 LYS 16 13.512 6.239 0.411
160 H LYS 17 HN LYS 17 5.384 7.821 1.166
161 HA LYS 17 HA LYS 17 3.765 7.462 3.401
162 HB2 LYS 17 HB2 LYS 17 3.820 10.019 4.078
163 HB3 LYS 17 HB1 LYS 17 5.019 8.897 4.800
164 HG2 LYS 17 HG2 LYS 17 6.464 10.571 4.172
165 HG3 LYS 17 HG1 LYS 17 6.475 9.629 2.649
166 HD2 LYS 17 HD2 LYS 17 4.397 11.225 2.029
167 HD3 LYS 17 HD1 LYS 17 5.132 12.287 3.281
168 HE2 LYS 17 HE2 LYS 17 7.319 12.239 2.033
169 HE3 LYS 17 HE1 LYS 17 6.560 11.180 0.770
170 HZ1 LYS 17 HZ1 LYS 17 6.607 13.886 0.792
171 HZ2 LYS 17 HZ2 LYS 17 5.039 13.548 1.351
172 HZ3 LYS 17 HZ3 LYS 17 5.568 12.910 -0.131
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 -0.226 -9.009 -3.476
2 H2 GLU 1 HT2 GLU 1 0.604 -9.935 -4.634
3 H3 GLU 1 HT3 GLU 1 -0.959 -10.386 -4.149
4 HA GLU 1 HA GLU 1 -0.108 -8.486 -6.101
5 HB2 GLU 1 HB2 GLU 1 -2.714 -9.953 -5.422
6 HB3 GLU 1 HB1 GLU 1 -2.581 -8.823 -6.816
7 HG2 GLU 1 HG2 GLU 1 -0.860 -10.231 -7.888
8 HG3 GLU 1 HG1 GLU 1 -0.778 -11.308 -6.438
9 H MET 2 HN MET 2 -2.520 -8.521 -3.391
10 HA MET 2 HA MET 2 -3.518 -6.848 -2.319
11 HB2 MET 2 HB2 MET 2 -1.087 -5.414 -3.336
12 HB3 MET 2 HB1 MET 2 -2.470 -4.378 -2.854
13 HG2 MET 2 HG2 MET 2 -0.601 -6.036 -1.187
14 HG3 MET 2 HG1 MET 2 -1.363 -4.448 -0.871
15 HE1 MET 2 HE1 MET 2 -3.840 -4.494 -1.396
16 HE2 MET 2 HE2 MET 2 -4.402 -4.511 0.311
17 HE3 MET 2 HE3 MET 2 -5.034 -5.721 -0.858
18 H ARG 3 HN ARG 3 -4.336 -4.401 -2.781
19 HA ARG 3 HA ARG 3 -5.705 -4.626 -5.292
20 HB2 ARG 3 HB2 ARG 3 -6.646 -4.227 -2.494
21 HB3 ARG 3 HB1 ARG 3 -7.607 -3.511 -3.841
22 HG2 ARG 3 HG2 ARG 3 -8.727 -5.549 -3.600
23 HG3 ARG 3 HG1 ARG 3 -7.466 -6.045 -4.789
24 HD2 ARG 3 HD2 ARG 3 -6.896 -7.682 -3.266
25 HD3 ARG 3 HD1 ARG 3 -6.157 -6.326 -2.291
26 HE ARG 3 HE ARG 3 -8.985 -6.448 -1.733
27 HH11 ARG 3 HH11 ARG 3 -5.960 -8.275 -1.294
28 HH12 ARG 3 HH12 ARG 3 -6.439 -9.013 0.198
29 HH21 ARG 3 HH21 ARG 3 -9.640 -7.453 0.295
30 HH22 ARG 3 HH22 ARG 3 -8.568 -8.538 1.116
31 H LEU 4 HN LEU 4 -4.267 -3.014 -2.745
32 HA LEU 4 HA LEU 4 -5.160 -0.443 -3.382
33 HB2 LEU 4 HB2 LEU 4 -2.524 -0.574 -2.259
34 HB3 LEU 4 HB1 LEU 4 -3.986 0.122 -1.544
35 HG LEU 4 HG LEU 4 -3.381 -2.786 -1.600
36 HD11 LEU 4 HD11 LEU 4 -2.058 -0.727 -0.173
37 HD12 LEU 4 HD12 LEU 4 -1.839 -2.516 -0.067
38 HD13 LEU 4 HD13 LEU 4 -3.022 -1.684 1.033
39 HD21 LEU 4 HD21 LEU 4 -5.637 -2.785 -1.174
40 HD22 LEU 4 HD22 LEU 4 -5.617 -1.099 -0.505
41 HD23 LEU 4 HD23 LEU 4 -5.062 -2.480 0.520
42 H SER 5 HN SER 5 -2.496 -2.422 -3.685
43 HA SER 5 HA SER 5 -0.473 -1.259 -4.486
44 HB2 SER 5 HB2 SER 5 0.317 -3.265 -4.899
45 HB3 SER 5 HB1 SER 5 -1.345 -3.729 -4.315
46 HG SER 5 HG SER 5 -1.128 -4.805 -6.177
47 H LYS 6 HN LYS 6 -3.108 -0.798 -6.507
48 HA LYS 6 HA LYS 6 -1.386 0.014 -8.685
49 HB2 LYS 6 HB2 LYS 6 -4.308 0.760 -7.995
50 HB3 LYS 6 HB1 LYS 6 -3.440 1.210 -9.505
51 HG2 LYS 6 HG2 LYS 6 -3.358 -1.098 -10.260
52 HG3 LYS 6 HG1 LYS 6 -3.929 -1.708 -8.669
53 HD2 LYS 6 HD2 LYS 6 -5.797 -1.791 -10.213
54 HD3 LYS 6 HD1 LYS 6 -6.108 -0.474 -9.030
55 HE2 LYS 6 HE2 LYS 6 -5.404 1.239 -10.704
56 HE3 LYS 6 HE1 LYS 6 -4.991 -0.069 -11.890
57 HZ1 LYS 6 HZ1 LYS 6 -7.680 0.007 -10.704
58 HZ2 LYS 6 HZ2 LYS 6 -7.164 -0.547 -12.224
59 HZ3 LYS 6 HZ3 LYS 6 -7.278 1.120 -11.922
60 H PHE 7 HN PHE 7 -1.748 0.347 -5.446
61 HA PHE 7 HA PHE 7 -2.104 3.125 -5.059
62 HB2 PHE 7 HB2 PHE 7 -3.152 1.241 -3.948
63 HB3 PHE 7 HB1 PHE 7 -1.658 0.814 -3.156
64 HD1 PHE 7 HD1 PHE 7 -4.603 1.600 -2.492
65 HD2 PHE 7 HD2 PHE 7 -0.799 3.376 -2.410
66 HE1 PHE 7 HE1 PHE 7 -5.058 2.600 -0.369
67 HE2 PHE 7 HE2 PHE 7 -1.084 4.398 -0.468
68 HZ PHE 7 HZ PHE 7 -3.362 4.122 0.750
69 H PHE 8 HN PHE 8 -0.196 0.558 -3.585
70 HA PHE 8 HA PHE 8 1.205 2.662 -2.320
71 HB2 PHE 8 HB2 PHE 8 2.580 0.551 -1.458
72 HB3 PHE 8 HB1 PHE 8 1.026 0.959 -0.684
73 HD1 PHE 8 HD1 PHE 8 3.016 -1.198 -2.064
74 HD2 PHE 8 HD2 PHE 8 -0.940 -0.041 -1.608
75 HE1 PHE 8 HE1 PHE 8 2.392 -3.327 -2.640
76 HE2 PHE 8 HE2 PHE 8 -1.610 -2.229 -2.222
77 HZ PHE 8 HZ PHE 8 0.055 -3.889 -2.696
78 H ARG 9 HN ARG 9 1.134 0.054 -4.258
79 HA ARG 9 HA ARG 9 3.815 -0.044 -4.658
80 HB2 ARG 9 HB2 ARG 9 1.328 -1.196 -5.640
81 HB3 ARG 9 HB1 ARG 9 2.638 -1.124 -6.896
82 HG2 ARG 9 HG2 ARG 9 3.152 -2.312 -4.132
83 HG3 ARG 9 HG1 ARG 9 2.322 -3.295 -5.385
84 HD2 ARG 9 HD2 ARG 9 5.012 -1.883 -5.904
85 HD3 ARG 9 HD1 ARG 9 4.904 -3.566 -5.222
86 HE ARG 9 HE ARG 9 3.237 -3.487 -7.535
87 HH11 ARG 9 HH11 ARG 9 6.656 -3.086 -6.625
88 HH12 ARG 9 HH12 ARG 9 7.286 -3.663 -8.132
89 HH21 ARG 9 HH21 ARG 9 4.092 -4.272 -9.585
90 HH22 ARG 9 HH22 ARG 9 5.802 -4.349 -9.843
91 H ASP 10 HN ASP 10 1.485 2.031 -4.995
92 HA ASP 10 HA ASP 10 2.738 3.002 -7.265
93 HB2 ASP 10 HB2 ASP 10 0.558 2.025 -7.445
94 HB3 ASP 10 HB1 ASP 10 -0.007 3.530 -6.634
95 H DPN 11 HN DPN 11 2.325 3.593 -3.994
96 HA DPN 11 HA DPN 11 2.070 6.432 -4.575
97 HB2 DPN 11 HB1 DPN 11 4.555 6.190 -3.292
98 HB3 DPN 11 HB2 DPN 11 4.246 6.852 -4.940
99 HD1 DPN 11 HD1 DPN 11 4.607 5.339 -6.875
100 HD2 DPN 11 HD2 DPN 11 4.943 4.381 -2.858
101 HE1 DPN 11 HE1 DPN 11 4.994 2.962 -7.388
102 HE2 DPN 11 HE2 DPN 11 5.312 2.182 -3.328
103 HZ DPN 11 HZ DPN 11 5.247 1.544 -5.449
104 H ILE 12 HN ILE 12 3.896 4.811 -2.058
105 HA ILE 12 HA ILE 12 3.372 6.771 -0.202
106 HB ILE 12 HB ILE 12 2.429 4.754 1.323
107 HG12 ILE 12 HG12 ILE 12 0.609 3.682 0.043
108 HG13 ILE 12 HG11 ILE 12 1.197 4.518 -1.453
109 HG21 ILE 12 HG21 ILE 12 0.069 6.043 0.519
110 HG22 ILE 12 HG22 ILE 12 1.331 7.242 0.050
111 HG23 ILE 12 HG23 ILE 12 1.213 6.676 1.760
112 HD11 ILE 12 HD11 ILE 12 2.834 3.124 -1.727
113 HD12 ILE 12 HD12 ILE 12 2.165 2.169 -0.324
114 HD13 ILE 12 HD13 ILE 12 3.368 3.377 -0.050
115 H LEU 13 HN LEU 13 4.925 4.271 -1.694
116 HA LEU 13 HA LEU 13 6.582 3.537 0.607
117 HB2 LEU 13 HB2 LEU 13 6.647 2.379 -2.194
118 HB3 LEU 13 HB1 LEU 13 7.143 1.578 -0.660
119 HG LEU 13 HG LEU 13 4.395 2.398 -1.528
120 HD11 LEU 13 HD11 LEU 13 6.023 0.051 -2.082
121 HD12 LEU 13 HD12 LEU 13 4.429 0.550 -2.759
122 HD13 LEU 13 HD13 LEU 13 4.503 -0.414 -1.220
123 HD21 LEU 13 HD21 LEU 13 5.357 0.954 1.013
124 HD22 LEU 13 HD22 LEU 13 3.632 1.226 0.549
125 HD23 LEU 13 HD23 LEU 13 4.716 2.650 0.890
126 H GLN 14 HN GLN 14 6.646 4.327 -2.892
127 HA GLN 14 HA GLN 14 9.479 4.610 -2.914
128 HB2 GLN 14 HB2 GLN 14 7.524 6.146 -4.694
129 HB3 GLN 14 HB1 GLN 14 9.256 5.806 -5.052
130 HG2 GLN 14 HG2 GLN 14 6.908 3.928 -4.956
131 HG3 GLN 14 HG1 GLN 14 7.980 4.265 -6.359
132 HE21 GLN 14 HE21 GLN 14 7.271 2.362 -3.689
133 HE22 GLN 14 HE22 GLN 14 8.715 1.390 -3.602
134 H ARG 15 HN ARG 15 6.801 6.336 -1.782
135 HA ARG 15 HA ARG 15 8.464 8.733 -1.649
136 HB2 ARG 15 HB2 ARG 15 5.665 8.824 -0.574
137 HB3 ARG 15 HB1 ARG 15 6.551 10.060 -1.526
138 HG2 ARG 15 HG2 ARG 15 5.799 9.252 -3.537
139 HG3 ARG 15 HG1 ARG 15 5.873 7.534 -2.999
140 HD2 ARG 15 HD2 ARG 15 3.506 8.201 -3.327
141 HD3 ARG 15 HD1 ARG 15 3.837 7.901 -1.564
142 HE ARG 15 HE ARG 15 3.575 10.246 -1.163
143 HH11 ARG 15 HH11 ARG 15 3.642 9.512 -4.656
144 HH12 ARG 15 HH12 ARG 15 3.109 11.084 -5.150
145 HH21 ARG 15 HH21 ARG 15 2.850 12.377 -1.843
146 HH22 ARG 15 HH22 ARG 15 2.652 12.738 -3.524
147 H LYS 16 HN LYS 16 6.837 6.138 -0.028
148 HA LYS 16 HA LYS 16 6.944 5.281 1.935
149 HB2 LYS 16 HB2 LYS 16 8.786 7.588 2.656
150 HB3 LYS 16 HB1 LYS 16 8.354 6.284 3.800
151 HG2 LYS 16 HG2 LYS 16 9.809 5.891 1.117
152 HG3 LYS 16 HG1 LYS 16 10.603 5.947 2.728
153 HD2 LYS 16 HD2 LYS 16 9.088 3.986 3.425
154 HD3 LYS 16 HD1 LYS 16 8.572 3.870 1.707
155 HE2 LYS 16 HE2 LYS 16 11.506 3.647 2.679
156 HE3 LYS 16 HE1 LYS 16 10.428 2.245 2.279
157 HZ1 LYS 16 HZ1 LYS 16 11.844 4.053 0.556
158 HZ2 LYS 16 HZ2 LYS 16 10.210 3.863 0.117
159 HZ3 LYS 16 HZ3 LYS 16 11.223 2.500 0.258
160 H LYS 17 HN LYS 17 5.343 7.840 1.028
161 HA LYS 17 HA LYS 17 3.624 7.700 3.205
162 HB2 LYS 17 HB2 LYS 17 3.783 10.289 3.741
163 HB3 LYS 17 HB1 LYS 17 4.879 9.147 4.586
164 HG2 LYS 17 HG2 LYS 17 6.455 10.690 3.946
165 HG3 LYS 17 HG1 LYS 17 6.473 9.682 2.464
166 HD2 LYS 17 HD2 LYS 17 4.514 11.378 1.703
167 HD3 LYS 17 HD1 LYS 17 5.289 12.446 2.924
168 HE2 LYS 17 HE2 LYS 17 7.498 12.190 1.748
169 HE3 LYS 17 HE1 LYS 17 6.707 11.115 0.518
170 HZ1 LYS 17 HZ1 LYS 17 6.945 13.792 0.366
171 HZ2 LYS 17 HZ2 LYS 17 5.357 13.628 0.945
172 HZ3 LYS 17 HZ3 LYS 17 5.823 12.849 -0.492
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 0.280 -8.044 -4.838
2 H2 GLU 1 HT2 GLU 1 0.388 -9.206 -6.072
3 H3 GLU 1 HT3 GLU 1 0.977 -9.560 -4.518
4 HA GLU 1 HA GLU 1 -1.666 -9.739 -5.572
5 HB2 GLU 1 HB2 GLU 1 -0.375 -10.746 -2.968
6 HB3 GLU 1 HB1 GLU 1 -1.944 -11.318 -3.636
7 HG2 GLU 1 HG2 GLU 1 0.780 -11.613 -5.079
8 HG3 GLU 1 HG1 GLU 1 -0.021 -12.907 -4.104
9 H MET 2 HN MET 2 -1.925 -7.194 -5.265
10 HA MET 2 HA MET 2 -3.361 -6.920 -2.758
11 HB2 MET 2 HB2 MET 2 -0.989 -5.306 -3.578
12 HB3 MET 2 HB1 MET 2 -2.412 -4.343 -3.057
13 HG2 MET 2 HG2 MET 2 -0.552 -6.095 -1.470
14 HG3 MET 2 HG1 MET 2 -1.340 -4.541 -1.058
15 HE1 MET 2 HE1 MET 2 -3.775 -4.525 -1.578
16 HE2 MET 2 HE2 MET 2 -4.565 -4.876 -0.004
17 HE3 MET 2 HE3 MET 2 -4.927 -5.893 -1.443
18 H ARG 3 HN ARG 3 -4.370 -4.486 -2.940
19 HA ARG 3 HA ARG 3 -5.716 -4.558 -5.452
20 HB2 ARG 3 HB2 ARG 3 -6.866 -5.382 -3.234
21 HB3 ARG 3 HB1 ARG 3 -6.803 -3.621 -2.827
22 HG2 ARG 3 HG2 ARG 3 -7.981 -4.402 -5.507
23 HG3 ARG 3 HG1 ARG 3 -8.955 -4.747 -4.030
24 HD2 ARG 3 HD2 ARG 3 -7.710 -2.065 -3.886
25 HD3 ARG 3 HD1 ARG 3 -8.755 -2.238 -5.371
26 HE ARG 3 HE ARG 3 -10.185 -3.335 -3.130
27 HH11 ARG 3 HH11 ARG 3 -8.910 -0.254 -4.377
28 HH12 ARG 3 HH12 ARG 3 -10.124 0.730 -3.633
29 HH21 ARG 3 HH21 ARG 3 -11.840 -1.998 -2.115
30 HH22 ARG 3 HH22 ARG 3 -11.819 -0.279 -2.323
31 H LEU 4 HN LEU 4 -4.231 -3.016 -2.869
32 HA LEU 4 HA LEU 4 -5.124 -0.438 -3.401
33 HB2 LEU 4 HB2 LEU 4 -2.468 -0.606 -2.337
34 HB3 LEU 4 HB1 LEU 4 -3.913 0.063 -1.570
35 HG LEU 4 HG LEU 4 -3.314 -2.839 -1.736
36 HD11 LEU 4 HD11 LEU 4 -1.730 -2.615 -0.234
37 HD12 LEU 4 HD12 LEU 4 -2.891 -1.835 0.924
38 HD13 LEU 4 HD13 LEU 4 -1.959 -0.825 -0.267
39 HD21 LEU 4 HD21 LEU 4 -4.940 -2.686 0.395
40 HD22 LEU 4 HD22 LEU 4 -5.588 -2.765 -1.297
41 HD23 LEU 4 HD23 LEU 4 -5.480 -1.174 -0.437
42 H SER 5 HN SER 5 -2.456 -2.393 -3.823
43 HA SER 5 HA SER 5 -0.458 -1.177 -4.618
44 HB2 SER 5 HB2 SER 5 0.345 -3.158 -5.062
45 HB3 SER 5 HB1 SER 5 -1.325 -3.676 -4.554
46 HG SER 5 HG SER 5 -0.467 -3.153 -7.241
47 H LYS 6 HN LYS 6 -3.130 -0.672 -6.579
48 HA LYS 6 HA LYS 6 -1.453 0.234 -8.753
49 HB2 LYS 6 HB2 LYS 6 -4.367 0.905 -7.963
50 HB3 LYS 6 HB1 LYS 6 -3.544 1.433 -9.476
51 HG2 LYS 6 HG2 LYS 6 -3.355 -0.920 -10.236
52 HG3 LYS 6 HG1 LYS 6 -4.096 -1.498 -8.702
53 HD2 LYS 6 HD2 LYS 6 -6.181 -0.254 -9.232
54 HD3 LYS 6 HD1 LYS 6 -5.453 0.341 -10.765
55 HE2 LYS 6 HE2 LYS 6 -5.262 -2.027 -11.596
56 HE3 LYS 6 HE1 LYS 6 -5.993 -2.623 -10.047
57 HZ1 LYS 6 HZ1 LYS 6 -7.616 -2.439 -11.782
58 HZ2 LYS 6 HZ2 LYS 6 -7.270 -0.793 -12.016
59 HZ3 LYS 6 HZ3 LYS 6 -7.956 -1.317 -10.554
60 H PHE 7 HN PHE 7 -1.762 0.448 -5.495
61 HA PHE 7 HA PHE 7 -2.139 3.205 -5.003
62 HB2 PHE 7 HB2 PHE 7 -3.148 1.273 -3.940
63 HB3 PHE 7 HB1 PHE 7 -1.637 0.834 -3.190
64 HD1 PHE 7 HD1 PHE 7 -4.578 1.563 -2.444
65 HD2 PHE 7 HD2 PHE 7 -0.792 3.381 -2.371
66 HE1 PHE 7 HE1 PHE 7 -5.005 2.486 -0.280
67 HE2 PHE 7 HE2 PHE 7 -1.053 4.334 -0.391
68 HZ PHE 7 HZ PHE 7 -3.305 3.989 0.858
69 H PHE 8 HN PHE 8 -0.180 0.611 -3.653
70 HA PHE 8 HA PHE 8 1.220 2.686 -2.340
71 HB2 PHE 8 HB2 PHE 8 2.632 0.561 -1.575
72 HB3 PHE 8 HB1 PHE 8 1.088 0.923 -0.761
73 HD1 PHE 8 HD1 PHE 8 3.077 -1.161 -2.243
74 HD2 PHE 8 HD2 PHE 8 -0.884 -0.067 -1.691
75 HE1 PHE 8 HE1 PHE 8 2.469 -3.277 -2.882
76 HE2 PHE 8 HE2 PHE 8 -1.539 -2.240 -2.370
77 HZ PHE 8 HZ PHE 8 0.139 -3.863 -2.921
78 H ARG 9 HN ARG 9 1.142 0.145 -4.365
79 HA ARG 9 HA ARG 9 3.816 0.089 -4.816
80 HB2 ARG 9 HB2 ARG 9 1.320 -1.049 -5.799
81 HB3 ARG 9 HB1 ARG 9 2.611 -0.922 -7.071
82 HG2 ARG 9 HG2 ARG 9 3.175 -2.205 -4.360
83 HG3 ARG 9 HG1 ARG 9 2.335 -3.148 -5.637
84 HD2 ARG 9 HD2 ARG 9 5.006 -1.695 -6.144
85 HD3 ARG 9 HD1 ARG 9 4.923 -3.401 -5.517
86 HE ARG 9 HE ARG 9 3.222 -3.266 -7.802
87 HH11 ARG 9 HH11 ARG 9 6.649 -2.837 -6.934
88 HH12 ARG 9 HH12 ARG 9 7.262 -3.353 -8.468
89 HH21 ARG 9 HH21 ARG 9 4.054 -3.969 -9.890
90 HH22 ARG 9 HH22 ARG 9 5.761 -4.008 -10.178
91 H ASP 10 HN ASP 10 1.459 2.151 -5.038
92 HA ASP 10 HA ASP 10 2.665 3.215 -7.293
93 HB2 ASP 10 HB2 ASP 10 0.493 2.221 -7.474
94 HB3 ASP 10 HB1 ASP 10 -0.075 3.690 -6.600
95 H DPN 11 HN DPN 11 2.303 3.685 -3.998
96 HA DPN 11 HA DPN 11 2.004 6.539 -4.472
97 HB2 DPN 11 HB1 DPN 11 4.515 6.285 -3.246
98 HB3 DPN 11 HB2 DPN 11 4.167 6.996 -4.865
99 HD1 DPN 11 HD1 DPN 11 4.515 5.554 -6.855
100 HD2 DPN 11 HD2 DPN 11 4.931 4.465 -2.878
101 HE1 DPN 11 HE1 DPN 11 4.917 3.202 -7.455
102 HE2 DPN 11 HE2 DPN 11 5.316 2.286 -3.430
103 HZ DPN 11 HZ DPN 11 5.220 1.720 -5.571
104 H ILE 12 HN ILE 12 3.895 4.852 -2.046
105 HA ILE 12 HA ILE 12 3.383 6.739 -0.112
106 HB ILE 12 HB ILE 12 2.488 4.659 1.355
107 HG12 ILE 12 HG12 ILE 12 0.657 3.614 0.070
108 HG13 ILE 12 HG11 ILE 12 1.210 4.509 -1.406
109 HG21 ILE 12 HG21 ILE 12 1.347 7.180 0.197
110 HG22 ILE 12 HG22 ILE 12 1.256 6.546 1.884
111 HG23 ILE 12 HG23 ILE 12 0.102 5.952 0.633
112 HD11 ILE 12 HD11 ILE 12 2.855 3.142 -1.757
113 HD12 ILE 12 HD12 ILE 12 2.222 2.132 -0.377
114 HD13 ILE 12 HD13 ILE 12 3.417 3.341 -0.082
115 H LEU 13 HN LEU 13 4.936 4.308 -1.718
116 HA LEU 13 HA LEU 13 6.636 3.510 0.529
117 HB2 LEU 13 HB2 LEU 13 6.667 2.455 -2.313
118 HB3 LEU 13 HB1 LEU 13 7.197 1.604 -0.818
119 HG LEU 13 HG LEU 13 4.427 2.427 -1.610
120 HD11 LEU 13 HD11 LEU 13 4.457 0.623 -2.905
121 HD12 LEU 13 HD12 LEU 13 4.572 -0.395 -1.403
122 HD13 LEU 13 HD13 LEU 13 6.068 0.120 -2.276
123 HD21 LEU 13 HD21 LEU 13 3.711 1.178 0.437
124 HD22 LEU 13 HD22 LEU 13 4.788 2.597 0.810
125 HD23 LEU 13 HD23 LEU 13 5.448 0.901 0.859
126 H GLN 14 HN GLN 14 6.637 4.426 -2.939
127 HA GLN 14 HA GLN 14 9.468 4.733 -2.996
128 HB2 GLN 14 HB2 GLN 14 7.470 6.314 -4.691
129 HB3 GLN 14 HB1 GLN 14 9.199 6.000 -5.089
130 HG2 GLN 14 HG2 GLN 14 6.867 4.101 -5.023
131 HG3 GLN 14 HG1 GLN 14 7.915 4.495 -6.429
132 HE21 GLN 14 HE21 GLN 14 7.262 2.495 -3.818
133 HE22 GLN 14 HE22 GLN 14 8.715 1.533 -3.787
134 H ARG 15 HN ARG 15 6.791 6.398 -1.770
135 HA ARG 15 HA ARG 15 8.433 8.806 -1.585
136 HB2 ARG 15 HB2 ARG 15 5.656 8.828 -0.449
137 HB3 ARG 15 HB1 ARG 15 6.509 10.106 -1.375
138 HG2 ARG 15 HG2 ARG 15 5.726 9.359 -3.398
139 HG3 ARG 15 HG1 ARG 15 5.825 7.624 -2.920
140 HD2 ARG 15 HD2 ARG 15 3.445 8.290 -3.180
141 HD3 ARG 15 HD1 ARG 15 3.816 7.915 -1.440
142 HE ARG 15 HE ARG 15 3.553 10.240 -0.927
143 HH11 ARG 15 HH11 ARG 15 3.534 9.659 -4.452
144 HH12 ARG 15 HH12 ARG 15 2.988 11.250 -4.863
145 HH21 ARG 15 HH21 ARG 15 2.812 12.396 -1.496
146 HH22 ARG 15 HH22 ARG 15 2.571 12.831 -3.155
147 H LYS 16 HN LYS 16 6.859 6.142 -0.024
148 HA LYS 16 HA LYS 16 7.027 5.210 1.901
149 HB2 LYS 16 HB2 LYS 16 8.845 7.520 2.680
150 HB3 LYS 16 HB1 LYS 16 8.481 6.145 3.761
151 HG2 LYS 16 HG2 LYS 16 9.876 5.947 1.024
152 HG3 LYS 16 HG1 LYS 16 10.705 5.924 2.617
153 HD2 LYS 16 HD2 LYS 16 8.558 3.887 1.758
154 HD3 LYS 16 HD1 LYS 16 10.324 3.635 1.548
155 HE2 LYS 16 HE2 LYS 16 10.625 3.883 4.064
156 HE3 LYS 16 HE1 LYS 16 8.824 4.012 4.230
157 HZ1 LYS 16 HZ1 LYS 16 9.539 1.781 2.637
158 HZ2 LYS 16 HZ2 LYS 16 8.669 1.849 4.093
159 HZ3 LYS 16 HZ3 LYS 16 10.362 1.730 4.120
160 H LYS 17 HN LYS 17 5.367 7.761 1.122
161 HA LYS 17 HA LYS 17 3.707 7.540 3.333
162 HB2 LYS 17 HB2 LYS 17 3.846 10.105 3.956
163 HB3 LYS 17 HB1 LYS 17 4.991 8.959 4.724
164 HG2 LYS 17 HG2 LYS 17 6.520 10.544 4.086
165 HG3 LYS 17 HG1 LYS 17 6.496 9.601 2.563
166 HD2 LYS 17 HD2 LYS 17 4.454 11.313 2.000
167 HD3 LYS 17 HD1 LYS 17 5.347 12.339 3.177
168 HE2 LYS 17 HE2 LYS 17 6.578 11.037 0.655
169 HE3 LYS 17 HE1 LYS 17 6.082 12.774 0.814
170 HZ1 LYS 17 HZ1 LYS 17 8.390 11.375 1.853
171 HZ2 LYS 17 HZ2 LYS 17 7.645 12.427 2.959
172 HZ3 LYS 17 HZ3 LYS 17 8.172 13.013 1.454
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 0.523 -10.337 -4.018
2 H2 GLU 1 HT2 GLU 1 0.233 -8.671 -4.170
3 H3 GLU 1 HT3 GLU 1 0.337 -9.645 -5.558
4 HA GLU 1 HA GLU 1 -1.824 -9.842 -5.509
5 HB2 GLU 1 HB2 GLU 1 -1.158 -11.284 -2.882
6 HB3 GLU 1 HB1 GLU 1 -2.802 -11.314 -3.616
7 HG2 GLU 1 HG2 GLU 1 -1.940 -12.434 -5.651
8 HG3 GLU 1 HG1 GLU 1 -0.241 -12.299 -5.047
9 H MET 2 HN MET 2 -1.737 -7.342 -5.113
10 HA MET 2 HA MET 2 -3.328 -6.848 -2.702
11 HB2 MET 2 HB2 MET 2 -0.907 -5.375 -3.711
12 HB3 MET 2 HB1 MET 2 -2.278 -4.370 -3.128
13 HG2 MET 2 HG2 MET 2 -0.345 -6.095 -1.611
14 HG3 MET 2 HG1 MET 2 -1.115 -4.535 -1.187
15 HE1 MET 2 HE1 MET 2 -4.769 -5.896 -1.167
16 HE2 MET 2 HE2 MET 2 -3.621 -4.610 -1.662
17 HE3 MET 2 HE3 MET 2 -4.152 -4.726 0.051
18 H ARG 3 HN ARG 3 -4.294 -4.522 -2.970
19 HA ARG 3 HA ARG 3 -5.578 -4.585 -5.540
20 HB2 ARG 3 HB2 ARG 3 -6.543 -4.322 -2.733
21 HB3 ARG 3 HB1 ARG 3 -7.518 -3.598 -4.067
22 HG2 ARG 3 HG2 ARG 3 -8.565 -5.693 -3.841
23 HG3 ARG 3 HG1 ARG 3 -7.336 -6.074 -5.102
24 HD2 ARG 3 HD2 ARG 3 -6.625 -7.760 -3.696
25 HD3 ARG 3 HD1 ARG 3 -5.931 -6.434 -2.652
26 HE ARG 3 HE ARG 3 -8.737 -6.745 -2.045
27 HH11 ARG 3 HH11 ARG 3 -5.597 -8.406 -1.780
28 HH12 ARG 3 HH12 ARG 3 -5.995 -9.258 -0.326
29 HH21 ARG 3 HH21 ARG 3 -9.281 -7.905 -0.068
30 HH22 ARG 3 HH22 ARG 3 -8.126 -8.968 0.663
31 H LEU 4 HN LEU 4 -4.095 -3.090 -2.962
32 HA LEU 4 HA LEU 4 -5.078 -0.509 -3.430
33 HB2 LEU 4 HB2 LEU 4 -2.416 -0.637 -2.371
34 HB3 LEU 4 HB1 LEU 4 -3.876 -0.009 -1.593
35 HG LEU 4 HG LEU 4 -3.213 -2.894 -1.805
36 HD11 LEU 4 HD11 LEU 4 -1.644 -2.666 -0.292
37 HD12 LEU 4 HD12 LEU 4 -2.821 -1.916 0.871
38 HD13 LEU 4 HD13 LEU 4 -1.901 -0.880 -0.308
39 HD21 LEU 4 HD21 LEU 4 -5.460 -1.312 -0.582
40 HD22 LEU 4 HD22 LEU 4 -4.853 -2.730 0.360
41 HD23 LEU 4 HD23 LEU 4 -5.459 -2.961 -1.336
42 H SER 5 HN SER 5 -2.380 -2.406 -3.884
43 HA SER 5 HA SER 5 -0.400 -1.162 -4.675
44 HB2 SER 5 HB2 SER 5 0.412 -3.134 -5.141
45 HB3 SER 5 HB1 SER 5 -1.255 -3.672 -4.641
46 HG SER 5 HG SER 5 -0.401 -3.102 -7.321
47 H LYS 6 HN LYS 6 -3.090 -0.661 -6.611
48 HA LYS 6 HA LYS 6 -1.438 0.289 -8.786
49 HB2 LYS 6 HB2 LYS 6 -4.356 0.918 -7.974
50 HB3 LYS 6 HB1 LYS 6 -3.547 1.470 -9.485
51 HG2 LYS 6 HG2 LYS 6 -3.361 -0.848 -10.298
52 HG3 LYS 6 HG1 LYS 6 -4.024 -1.483 -8.751
53 HD2 LYS 6 HD2 LYS 6 -6.162 -0.265 -9.175
54 HD3 LYS 6 HD1 LYS 6 -5.511 0.344 -10.736
55 HE2 LYS 6 HE2 LYS 6 -5.860 -2.652 -10.036
56 HE3 LYS 6 HE1 LYS 6 -7.024 -1.670 -11.019
57 HZ1 LYS 6 HZ1 LYS 6 -4.588 -2.898 -11.780
58 HZ2 LYS 6 HZ2 LYS 6 -4.531 -1.233 -12.106
59 HZ3 LYS 6 HZ3 LYS 6 -5.791 -2.180 -12.736
60 H PHE 7 HN PHE 7 -1.732 0.460 -5.524
61 HA PHE 7 HA PHE 7 -2.141 3.205 -4.996
62 HB2 PHE 7 HB2 PHE 7 -3.121 1.246 -3.956
63 HB3 PHE 7 HB1 PHE 7 -1.601 0.817 -3.218
64 HD1 PHE 7 HD1 PHE 7 -4.549 1.498 -2.455
65 HD2 PHE 7 HD2 PHE 7 -0.785 3.360 -2.366
66 HE1 PHE 7 HE1 PHE 7 -4.981 2.387 -0.277
67 HE2 PHE 7 HE2 PHE 7 -1.052 4.284 -0.373
68 HZ PHE 7 HZ PHE 7 -3.296 3.894 0.877
69 H PHE 8 HN PHE 8 -0.144 0.618 -3.687
70 HA PHE 8 HA PHE 8 1.236 2.692 -2.352
71 HB2 PHE 8 HB2 PHE 8 2.677 0.572 -1.623
72 HB3 PHE 8 HB1 PHE 8 1.132 0.905 -0.799
73 HD1 PHE 8 HD1 PHE 8 3.137 -1.132 -2.328
74 HD2 PHE 8 HD2 PHE 8 -0.832 -0.095 -1.726
75 HE1 PHE 8 HE1 PHE 8 2.549 -3.246 -2.994
76 HE2 PHE 8 HE2 PHE 8 -1.465 -2.265 -2.432
77 HZ PHE 8 HZ PHE 8 0.226 -3.859 -3.023
78 H ARG 9 HN ARG 9 1.182 0.179 -4.413
79 HA ARG 9 HA ARG 9 3.855 0.163 -4.876
80 HB2 ARG 9 HB2 ARG 9 1.367 -0.990 -5.864
81 HB3 ARG 9 HB1 ARG 9 2.652 -0.834 -7.138
82 HG2 ARG 9 HG2 ARG 9 3.264 -2.133 -4.448
83 HG3 ARG 9 HG1 ARG 9 2.393 -3.076 -5.704
84 HD2 ARG 9 HD2 ARG 9 5.043 -1.614 -6.285
85 HD3 ARG 9 HD1 ARG 9 4.988 -3.317 -5.647
86 HE ARG 9 HE ARG 9 3.221 -3.203 -7.883
87 HH11 ARG 9 HH11 ARG 9 6.671 -2.759 -7.114
88 HH12 ARG 9 HH12 ARG 9 7.244 -3.285 -8.661
89 HH21 ARG 9 HH21 ARG 9 4.000 -3.920 -9.989
90 HH22 ARG 9 HH22 ARG 9 5.698 -3.956 -10.323
91 H ASP 10 HN ASP 10 1.470 2.198 -5.060
92 HA ASP 10 HA ASP 10 2.652 3.307 -7.305
93 HB2 ASP 10 HB2 ASP 10 0.493 2.286 -7.493
94 HB3 ASP 10 HB1 ASP 10 -0.092 3.732 -6.595
95 H DPN 11 HN DPN 11 2.298 3.727 -4.002
96 HA DPN 11 HA DPN 11 1.954 6.580 -4.434
97 HB2 DPN 11 HB1 DPN 11 4.474 6.357 -3.235
98 HB3 DPN 11 HB2 DPN 11 4.104 7.075 -4.844
99 HD1 DPN 11 HD1 DPN 11 4.470 5.661 -6.847
100 HD2 DPN 11 HD2 DPN 11 4.923 4.538 -2.882
101 HE1 DPN 11 HE1 DPN 11 4.901 3.321 -7.474
102 HE2 DPN 11 HE2 DPN 11 5.333 2.368 -3.461
103 HZ DPN 11 HZ DPN 11 5.233 1.823 -5.608
104 H ILE 12 HN ILE 12 3.889 4.889 -2.038
105 HA ILE 12 HA ILE 12 3.362 6.741 -0.083
106 HB ILE 12 HB ILE 12 2.496 4.636 1.364
107 HG12 ILE 12 HG12 ILE 12 0.672 3.585 0.075
108 HG13 ILE 12 HG11 ILE 12 1.206 4.505 -1.392
109 HG21 ILE 12 HG21 ILE 12 1.230 6.490 1.925
110 HG22 ILE 12 HG22 ILE 12 0.094 5.918 0.646
111 HG23 ILE 12 HG23 ILE 12 1.336 7.165 0.254
112 HD11 ILE 12 HD11 ILE 12 3.433 3.350 -0.091
113 HD12 ILE 12 HD12 ILE 12 2.867 3.162 -1.766
114 HD13 ILE 12 HD13 ILE 12 2.243 2.127 -0.405
115 H LEU 13 HN LEU 13 4.933 4.344 -1.722
116 HA LEU 13 HA LEU 13 6.644 3.531 0.511
117 HB2 LEU 13 HB2 LEU 13 6.683 2.526 -2.347
118 HB3 LEU 13 HB1 LEU 13 7.225 1.657 -0.867
119 HG LEU 13 HG LEU 13 4.446 2.463 -1.642
120 HD11 LEU 13 HD11 LEU 13 4.502 0.681 -2.968
121 HD12 LEU 13 HD12 LEU 13 4.613 -0.357 -1.481
122 HD13 LEU 13 HD13 LEU 13 6.112 0.179 -2.336
123 HD21 LEU 13 HD21 LEU 13 4.815 2.601 0.780
124 HD22 LEU 13 HD22 LEU 13 5.487 0.908 0.802
125 HD23 LEU 13 HD23 LEU 13 3.747 1.180 0.391
126 H GLN 14 HN GLN 14 6.633 4.503 -2.940
127 HA GLN 14 HA GLN 14 9.461 4.839 -2.999
128 HB2 GLN 14 HB2 GLN 14 7.443 6.418 -4.672
129 HB3 GLN 14 HB1 GLN 14 9.173 6.129 -5.076
130 HG2 GLN 14 HG2 GLN 14 6.859 4.209 -5.040
131 HG3 GLN 14 HG1 GLN 14 7.908 4.630 -6.436
132 HE21 GLN 14 HE21 GLN 14 7.262 2.591 -3.855
133 HE22 GLN 14 HE22 GLN 14 8.722 1.639 -3.832
134 H ARG 15 HN ARG 15 6.753 6.477 -1.780
135 HA ARG 15 HA ARG 15 8.372 8.898 -1.569
136 HB2 ARG 15 HB2 ARG 15 5.596 8.870 -0.412
137 HB3 ARG 15 HB1 ARG 15 6.431 10.175 -1.319
138 HG2 ARG 15 HG2 ARG 15 5.648 9.454 -3.352
139 HG3 ARG 15 HG1 ARG 15 5.786 7.711 -2.909
140 HD2 ARG 15 HD2 ARG 15 3.388 8.382 -3.159
141 HD3 ARG 15 HD1 ARG 15 3.776 7.897 -1.449
142 HE ARG 15 HE ARG 15 3.498 10.178 -0.783
143 HH11 ARG 15 HH11 ARG 15 3.448 9.834 -4.335
144 HH12 ARG 15 HH12 ARG 15 2.864 11.437 -4.634
145 HH21 ARG 15 HH21 ARG 15 2.701 12.351 -1.196
146 HH22 ARG 15 HH22 ARG 15 2.434 12.891 -2.820
147 H LYS 16 HN LYS 16 6.899 6.179 -0.057
148 HA LYS 16 HA LYS 16 7.111 5.198 1.834
149 HB2 LYS 16 HB2 LYS 16 9.052 7.453 2.397
150 HB3 LYS 16 HB1 LYS 16 8.525 6.403 3.742
151 HG2 LYS 16 HG2 LYS 16 10.283 5.082 3.154
152 HG3 LYS 16 HG1 LYS 16 9.211 4.524 1.821
153 HD2 LYS 16 HD2 LYS 16 10.179 6.170 0.271
154 HD3 LYS 16 HD1 LYS 16 11.146 6.909 1.594
155 HE2 LYS 16 HE2 LYS 16 12.446 4.774 1.852
156 HE3 LYS 16 HE1 LYS 16 11.466 4.022 0.525
157 HZ1 LYS 16 HZ1 LYS 16 13.253 4.782 -0.595
158 HZ2 LYS 16 HZ2 LYS 16 13.503 6.131 0.406
159 HZ3 LYS 16 HZ3 LYS 16 12.249 6.144 -0.739
160 H LYS 17 HN LYS 17 5.405 7.794 1.182
161 HA LYS 17 HA LYS 17 3.859 7.444 3.496
162 HB2 LYS 17 HB2 LYS 17 3.915 10.204 3.727
163 HB3 LYS 17 HB1 LYS 17 4.757 9.080 4.837
164 HG2 LYS 17 HG2 LYS 17 6.330 10.796 4.189
165 HG3 LYS 17 HG1 LYS 17 6.831 9.263 3.408
166 HD2 LYS 17 HD2 LYS 17 7.000 11.338 1.938
167 HD3 LYS 17 HD1 LYS 17 6.041 9.994 1.241
168 HE2 LYS 17 HE2 LYS 17 3.956 11.125 1.621
169 HE3 LYS 17 HE1 LYS 17 4.712 12.331 2.745
170 HZ1 LYS 17 HZ1 LYS 17 6.106 12.944 0.728
171 HZ2 LYS 17 HZ2 LYS 17 4.475 13.415 0.742
172 HZ3 LYS 17 HZ3 LYS 17 4.966 12.085 -0.193
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 -2.780 -9.421 -5.783
2 H2 GLU 1 HT2 GLU 1 -1.893 -10.849 -6.028
3 H3 GLU 1 HT3 GLU 1 -1.382 -9.399 -6.750
4 HA GLU 1 HA GLU 1 -0.827 -10.439 -4.185
5 HB2 GLU 1 HB2 GLU 1 0.135 -8.042 -5.842
6 HB3 GLU 1 HB1 GLU 1 0.845 -8.452 -4.240
7 HG2 GLU 1 HG2 GLU 1 1.622 -10.645 -5.062
8 HG3 GLU 1 HG1 GLU 1 0.761 -10.409 -6.634
9 H MET 2 HN MET 2 -2.023 -7.187 -5.315
10 HA MET 2 HA MET 2 -3.378 -6.933 -2.779
11 HB2 MET 2 HB2 MET 2 -1.013 -5.297 -3.560
12 HB3 MET 2 HB1 MET 2 -2.442 -4.340 -3.047
13 HG2 MET 2 HG2 MET 2 -0.597 -6.107 -1.457
14 HG3 MET 2 HG1 MET 2 -1.385 -4.554 -1.040
15 HE1 MET 2 HE1 MET 2 -3.810 -4.517 -1.567
16 HE2 MET 2 HE2 MET 2 -4.618 -4.889 -0.007
17 HE3 MET 2 HE3 MET 2 -4.968 -5.884 -1.465
18 H ARG 3 HN ARG 3 -4.385 -4.478 -2.939
19 HA ARG 3 HA ARG 3 -5.745 -4.545 -5.444
20 HB2 ARG 3 HB2 ARG 3 -6.884 -5.372 -3.220
21 HB3 ARG 3 HB1 ARG 3 -6.820 -3.613 -2.812
22 HG2 ARG 3 HG2 ARG 3 -8.010 -4.390 -5.487
23 HG3 ARG 3 HG1 ARG 3 -8.976 -4.737 -4.006
24 HD2 ARG 3 HD2 ARG 3 -7.730 -2.054 -3.869
25 HD3 ARG 3 HD1 ARG 3 -8.787 -2.228 -5.347
26 HE ARG 3 HE ARG 3 -10.202 -3.326 -3.098
27 HH11 ARG 3 HH11 ARG 3 -8.923 -0.242 -4.336
28 HH12 ARG 3 HH12 ARG 3 -10.126 0.743 -3.573
29 HH21 ARG 3 HH21 ARG 3 -11.842 -1.989 -2.059
30 HH22 ARG 3 HH22 ARG 3 -11.815 -0.269 -2.256
31 H LEU 4 HN LEU 4 -4.251 -3.010 -2.862
32 HA LEU 4 HA LEU 4 -5.140 -0.430 -3.395
33 HB2 LEU 4 HB2 LEU 4 -2.487 -0.601 -2.325
34 HB3 LEU 4 HB1 LEU 4 -3.933 0.071 -1.560
35 HG LEU 4 HG LEU 4 -3.338 -2.833 -1.724
36 HD11 LEU 4 HD11 LEU 4 -1.974 -0.825 -0.260
37 HD12 LEU 4 HD12 LEU 4 -1.760 -2.616 -0.211
38 HD13 LEU 4 HD13 LEU 4 -2.918 -1.812 0.936
39 HD21 LEU 4 HD21 LEU 4 -5.613 -2.752 -1.290
40 HD22 LEU 4 HD22 LEU 4 -5.502 -1.163 -0.423
41 HD23 LEU 4 HD23 LEU 4 -4.967 -2.680 0.401
42 H SER 5 HN SER 5 -2.474 -2.393 -3.809
43 HA SER 5 HA SER 5 -0.473 -1.182 -4.605
44 HB2 SER 5 HB2 SER 5 0.327 -3.166 -5.033
45 HB3 SER 5 HB1 SER 5 -1.347 -3.680 -4.537
46 HG SER 5 HG SER 5 -0.478 -3.157 -7.220
47 H LYS 6 HN LYS 6 -3.132 -0.659 -6.548
48 HA LYS 6 HA LYS 6 -1.446 0.225 -8.732
49 HB2 LYS 6 HB2 LYS 6 -4.350 1.017 -8.026
50 HB3 LYS 6 HB1 LYS 6 -3.488 1.379 -9.562
51 HG2 LYS 6 HG2 LYS 6 -4.247 -1.440 -8.571
52 HG3 LYS 6 HG1 LYS 6 -5.165 -0.483 -9.785
53 HD2 LYS 6 HD2 LYS 6 -3.125 -0.444 -11.264
54 HD3 LYS 6 HD1 LYS 6 -2.248 -1.450 -10.059
55 HE2 LYS 6 HE2 LYS 6 -3.933 -3.294 -10.367
56 HE3 LYS 6 HE1 LYS 6 -4.807 -2.279 -11.590
57 HZ1 LYS 6 HZ1 LYS 6 -2.152 -2.288 -12.337
58 HZ2 LYS 6 HZ2 LYS 6 -3.445 -3.115 -13.062
59 HZ3 LYS 6 HZ3 LYS 6 -2.496 -3.888 -11.885
60 H PHE 7 HN PHE 7 -1.772 0.445 -5.485
61 HA PHE 7 HA PHE 7 -2.140 3.206 -5.000
62 HB2 PHE 7 HB2 PHE 7 -3.159 1.279 -3.935
63 HB3 PHE 7 HB1 PHE 7 -1.649 0.836 -3.183
64 HD1 PHE 7 HD1 PHE 7 -4.587 1.572 -2.437
65 HD2 PHE 7 HD2 PHE 7 -0.798 3.384 -2.368
66 HE1 PHE 7 HE1 PHE 7 -5.011 2.499 -0.275
67 HE2 PHE 7 HE2 PHE 7 -1.056 4.341 -0.390
68 HZ PHE 7 HZ PHE 7 -3.309 4.000 0.861
69 H PHE 8 HN PHE 8 -0.192 0.607 -3.641
70 HA PHE 8 HA PHE 8 1.214 2.680 -2.332
71 HB2 PHE 8 HB2 PHE 8 2.617 0.555 -1.555
72 HB3 PHE 8 HB1 PHE 8 1.071 0.926 -0.748
73 HD1 PHE 8 HD1 PHE 8 3.058 -1.174 -2.201
74 HD2 PHE 8 HD2 PHE 8 -0.902 -0.059 -1.689
75 HE1 PHE 8 HE1 PHE 8 2.444 -3.293 -2.831
76 HE2 PHE 8 HE2 PHE 8 -1.562 -2.234 -2.358
77 HZ PHE 8 HZ PHE 8 0.112 -3.866 -2.887
78 H ARG 9 HN ARG 9 1.128 0.134 -4.348
79 HA ARG 9 HA ARG 9 3.803 0.064 -4.797
80 HB2 ARG 9 HB2 ARG 9 1.302 -1.064 -5.781
81 HB3 ARG 9 HB1 ARG 9 2.596 -0.950 -7.050
82 HG2 ARG 9 HG2 ARG 9 3.104 -2.241 -4.328
83 HG3 ARG 9 HG1 ARG 9 2.324 -3.175 -5.646
84 HD2 ARG 9 HD2 ARG 9 5.035 -1.721 -5.935
85 HD3 ARG 9 HD1 ARG 9 4.873 -3.473 -5.480
86 HE ARG 9 HE ARG 9 4.378 -2.282 -8.149
87 HH11 ARG 9 HH11 ARG 9 3.823 -4.997 -5.904
88 HH12 ARG 9 HH12 ARG 9 3.477 -6.156 -7.146
89 HH21 ARG 9 HH21 ARG 9 3.916 -3.859 -9.835
90 HH22 ARG 9 HH22 ARG 9 3.537 -5.496 -9.417
91 H ASP 10 HN ASP 10 1.456 2.136 -5.028
92 HA ASP 10 HA ASP 10 2.670 3.189 -7.285
93 HB2 ASP 10 HB2 ASP 10 0.492 2.202 -7.465
94 HB3 ASP 10 HB1 ASP 10 -0.070 3.677 -6.596
95 H DPN 11 HN DPN 11 2.303 3.671 -3.991
96 HA DPN 11 HA DPN 11 2.021 6.525 -4.478
97 HB2 DPN 11 HB1 DPN 11 4.527 6.258 -3.242
98 HB3 DPN 11 HB2 DPN 11 4.188 6.970 -4.863
99 HD1 DPN 11 HD1 DPN 11 4.529 5.521 -6.850
100 HD2 DPN 11 HD2 DPN 11 4.933 4.439 -2.871
101 HE1 DPN 11 HE1 DPN 11 4.921 3.165 -7.444
102 HE2 DPN 11 HE2 DPN 11 5.308 2.256 -3.417
103 HZ DPN 11 HZ DPN 11 5.214 1.687 -5.557
104 H ILE 12 HN ILE 12 3.896 4.838 -2.042
105 HA ILE 12 HA ILE 12 3.386 6.738 -0.118
106 HB ILE 12 HB ILE 12 2.487 4.662 1.357
107 HG12 ILE 12 HG12 ILE 12 0.652 3.620 0.073
108 HG13 ILE 12 HG11 ILE 12 1.211 4.508 -1.406
109 HG21 ILE 12 HG21 ILE 12 0.103 5.954 0.641
110 HG22 ILE 12 HG22 ILE 12 1.344 7.179 0.182
111 HG23 ILE 12 HG23 ILE 12 1.267 6.563 1.877
112 HD11 ILE 12 HD11 ILE 12 3.414 3.344 -0.076
113 HD12 ILE 12 HD12 ILE 12 2.848 3.127 -1.747
114 HD13 ILE 12 HD13 ILE 12 2.207 2.131 -0.365
115 H LEU 13 HN LEU 13 4.934 4.296 -1.711
116 HA LEU 13 HA LEU 13 6.635 3.506 0.538
117 HB2 LEU 13 HB2 LEU 13 6.661 2.433 -2.298
118 HB3 LEU 13 HB1 LEU 13 7.187 1.590 -0.796
119 HG LEU 13 HG LEU 13 4.421 2.417 -1.596
120 HD11 LEU 13 HD11 LEU 13 6.053 0.106 -2.256
121 HD12 LEU 13 HD12 LEU 13 4.437 0.604 -2.878
122 HD13 LEU 13 HD13 LEU 13 4.562 -0.407 -1.371
123 HD21 LEU 13 HD21 LEU 13 4.780 2.598 0.824
124 HD22 LEU 13 HD22 LEU 13 5.432 0.898 0.882
125 HD23 LEU 13 HD23 LEU 13 3.698 1.183 0.459
126 H GLN 14 HN GLN 14 6.637 4.399 -2.938
127 HA GLN 14 HA GLN 14 9.467 4.701 -2.995
128 HB2 GLN 14 HB2 GLN 14 7.476 6.279 -4.699
129 HB3 GLN 14 HB1 GLN 14 9.203 5.958 -5.094
130 HG2 GLN 14 HG2 GLN 14 6.868 4.064 -5.014
131 HG3 GLN 14 HG1 GLN 14 7.913 4.448 -6.425
132 HE21 GLN 14 HE21 GLN 14 7.262 2.464 -3.801
133 HE22 GLN 14 HE22 GLN 14 8.713 1.500 -3.768
134 H ARG 15 HN ARG 15 6.799 6.377 -1.770
135 HA ARG 15 HA ARG 15 8.449 8.781 -1.596
136 HB2 ARG 15 HB2 ARG 15 5.668 8.822 -0.469
137 HB3 ARG 15 HB1 ARG 15 6.530 10.090 -1.402
138 HG2 ARG 15 HG2 ARG 15 5.747 9.333 -3.421
139 HG3 ARG 15 HG1 ARG 15 5.840 7.601 -2.932
140 HD2 ARG 15 HD2 ARG 15 3.462 8.273 -3.201
141 HD3 ARG 15 HD1 ARG 15 3.828 7.910 -1.456
142 HE ARG 15 HE ARG 15 3.573 10.240 -0.963
143 HH11 ARG 15 HH11 ARG 15 3.556 9.631 -4.482
144 HH12 ARG 15 HH12 ARG 15 3.015 11.220 -4.907
145 HH21 ARG 15 HH21 ARG 15 2.839 12.393 -1.549
146 HH22 ARG 15 HH22 ARG 15 2.602 12.816 -3.213
147 H LYS 16 HN LYS 16 6.863 6.129 -0.023
148 HA LYS 16 HA LYS 16 7.009 5.216 1.911
149 HB2 LYS 16 HB2 LYS 16 8.831 7.519 2.696
150 HB3 LYS 16 HB1 LYS 16 8.456 6.139 3.770
151 HG2 LYS 16 HG2 LYS 16 9.847 5.924 1.032
152 HG3 LYS 16 HG1 LYS 16 10.689 5.935 2.621
153 HD2 LYS 16 HD2 LYS 16 9.342 3.885 3.287
154 HD3 LYS 16 HD1 LYS 16 8.639 3.856 1.634
155 HE2 LYS 16 HE2 LYS 16 10.519 2.246 1.762
156 HE3 LYS 16 HE1 LYS 16 11.003 3.625 0.689
157 HZ1 LYS 16 HZ1 LYS 16 11.635 4.144 3.413
158 HZ2 LYS 16 HZ2 LYS 16 12.638 4.105 2.043
159 HZ3 LYS 16 HZ3 LYS 16 12.317 2.676 2.903
160 H LYS 17 HN LYS 17 5.365 7.769 1.104
161 HA LYS 17 HA LYS 17 3.697 7.575 3.310
162 HB2 LYS 17 HB2 LYS 17 3.845 10.142 3.915
163 HB3 LYS 17 HB1 LYS 17 4.985 8.997 4.693
164 HG2 LYS 17 HG2 LYS 17 6.524 10.569 4.048
165 HG3 LYS 17 HG1 LYS 17 6.494 9.619 2.528
166 HD2 LYS 17 HD2 LYS 17 4.458 11.341 1.961
167 HD3 LYS 17 HD1 LYS 17 5.360 12.367 3.129
168 HE2 LYS 17 HE2 LYS 17 6.587 11.038 0.619
169 HE3 LYS 17 HE1 LYS 17 6.086 12.777 0.753
170 HZ1 LYS 17 HZ1 LYS 17 8.398 11.400 1.811
171 HZ2 LYS 17 HZ2 LYS 17 7.649 12.463 2.905
172 HZ3 LYS 17 HZ3 LYS 17 8.175 13.031 1.393
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 0.312 -10.082 -5.102
2 H2 GLU 1 HT2 GLU 1 -0.189 -10.851 -3.673
3 H3 GLU 1 HT3 GLU 1 -0.059 -9.159 -3.725
4 HA GLU 1 HA GLU 1 -1.725 -9.659 -5.762
5 HB2 GLU 1 HB2 GLU 1 -2.457 -11.483 -3.395
6 HB3 GLU 1 HB1 GLU 1 -3.501 -11.172 -4.826
7 HG2 GLU 1 HG2 GLU 1 -0.727 -12.550 -4.894
8 HG3 GLU 1 HG1 GLU 1 -2.329 -13.378 -5.020
9 H MET 2 HN MET 2 -1.360 -7.335 -4.835
10 HA MET 2 HA MET 2 -3.264 -6.868 -2.663
11 HB2 MET 2 HB2 MET 2 -0.851 -5.386 -3.676
12 HB3 MET 2 HB1 MET 2 -2.226 -4.387 -3.091
13 HG2 MET 2 HG2 MET 2 -0.282 -6.101 -1.575
14 HG3 MET 2 HG1 MET 2 -1.066 -4.548 -1.149
15 HE1 MET 2 HE1 MET 2 -4.112 -4.776 0.087
16 HE2 MET 2 HE2 MET 2 -4.701 -5.936 -1.153
17 HE3 MET 2 HE3 MET 2 -3.563 -4.633 -1.617
18 H ARG 3 HN ARG 3 -4.246 -4.553 -2.928
19 HA ARG 3 HA ARG 3 -5.530 -4.618 -5.499
20 HB2 ARG 3 HB2 ARG 3 -6.491 -4.368 -2.692
21 HB3 ARG 3 HB1 ARG 3 -7.459 -3.612 -4.010
22 HG2 ARG 3 HG2 ARG 3 -8.505 -5.723 -3.681
23 HG3 ARG 3 HG1 ARG 3 -7.430 -6.014 -5.097
24 HD2 ARG 3 HD2 ARG 3 -6.148 -7.537 -3.942
25 HD3 ARG 3 HD1 ARG 3 -6.045 -6.452 -2.480
26 HE ARG 3 HE ARG 3 -8.687 -7.400 -2.483
27 HH11 ARG 3 HH11 ARG 3 -5.422 -8.832 -2.560
28 HH12 ARG 3 HH12 ARG 3 -5.863 -10.261 -1.684
29 HH21 ARG 3 HH21 ARG 3 -9.283 -9.345 -1.293
30 HH22 ARG 3 HH22 ARG 3 -8.094 -10.555 -0.953
31 H LEU 4 HN LEU 4 -4.059 -3.117 -2.916
32 HA LEU 4 HA LEU 4 -5.039 -0.537 -3.390
33 HB2 LEU 4 HB2 LEU 4 -2.376 -0.655 -2.338
34 HB3 LEU 4 HB1 LEU 4 -3.835 -0.030 -1.556
35 HG LEU 4 HG LEU 4 -3.167 -2.915 -1.766
36 HD11 LEU 4 HD11 LEU 4 -1.847 -0.898 -0.282
37 HD12 LEU 4 HD12 LEU 4 -1.596 -2.685 -0.252
38 HD13 LEU 4 HD13 LEU 4 -2.767 -1.918 0.907
39 HD21 LEU 4 HD21 LEU 4 -5.418 -2.964 -1.298
40 HD22 LEU 4 HD22 LEU 4 -5.400 -1.329 -0.514
41 HD23 LEU 4 HD23 LEU 4 -4.798 -2.770 0.396
42 H SER 5 HN SER 5 -2.336 -2.426 -3.848
43 HA SER 5 HA SER 5 -0.365 -1.174 -4.645
44 HB2 SER 5 HB2 SER 5 0.458 -3.143 -5.103
45 HB3 SER 5 HB1 SER 5 -1.207 -3.689 -4.606
46 HG SER 5 HG SER 5 -0.364 -3.107 -7.287
47 H LYS 6 HN LYS 6 -3.057 -0.683 -6.568
48 HA LYS 6 HA LYS 6 -1.415 0.269 -8.753
49 HB2 LYS 6 HB2 LYS 6 -4.336 0.900 -7.958
50 HB3 LYS 6 HB1 LYS 6 -3.521 1.441 -9.467
51 HG2 LYS 6 HG2 LYS 6 -3.399 -0.829 -10.327
52 HG3 LYS 6 HG1 LYS 6 -3.909 -1.524 -8.750
53 HD2 LYS 6 HD2 LYS 6 -5.815 -1.591 -10.247
54 HD3 LYS 6 HD1 LYS 6 -6.130 -0.337 -8.998
55 HE2 LYS 6 HE2 LYS 6 -5.518 1.468 -10.610
56 HE3 LYS 6 HE1 LYS 6 -5.103 0.226 -11.866
57 HZ1 LYS 6 HZ1 LYS 6 -7.482 1.387 -11.590
58 HZ2 LYS 6 HZ2 LYS 6 -7.736 -0.018 -10.671
59 HZ3 LYS 6 HZ3 LYS 6 -7.236 -0.141 -12.289
60 H PHE 7 HN PHE 7 -1.702 0.440 -5.495
61 HA PHE 7 HA PHE 7 -2.120 3.186 -4.967
62 HB2 PHE 7 HB2 PHE 7 -3.092 1.224 -3.924
63 HB3 PHE 7 HB1 PHE 7 -1.569 0.800 -3.190
64 HD1 PHE 7 HD1 PHE 7 -4.515 1.474 -2.419
65 HD2 PHE 7 HD2 PHE 7 -0.757 3.347 -2.343
66 HE1 PHE 7 HE1 PHE 7 -4.944 2.364 -0.240
67 HE2 PHE 7 HE2 PHE 7 -1.020 4.272 -0.350
68 HZ PHE 7 HZ PHE 7 -3.259 3.877 0.908
69 H PHE 8 HN PHE 8 -0.111 0.606 -3.662
70 HA PHE 8 HA PHE 8 1.266 2.686 -2.335
71 HB2 PHE 8 HB2 PHE 8 2.716 0.575 -1.603
72 HB3 PHE 8 HB1 PHE 8 1.174 0.907 -0.774
73 HD1 PHE 8 HD1 PHE 8 3.182 -1.136 -2.278
74 HD2 PHE 8 HD2 PHE 8 -0.792 -0.100 -1.708
75 HE1 PHE 8 HE1 PHE 8 2.599 -3.256 -2.933
76 HE2 PHE 8 HE2 PHE 8 -1.420 -2.275 -2.403
77 HZ PHE 8 HZ PHE 8 0.277 -3.871 -2.975
78 H ARG 9 HN ARG 9 1.219 0.158 -4.378
79 HA ARG 9 HA ARG 9 3.887 0.153 -4.861
80 HB2 ARG 9 HB2 ARG 9 1.401 -1.008 -5.840
81 HB3 ARG 9 HB1 ARG 9 2.673 -0.838 -7.124
82 HG2 ARG 9 HG2 ARG 9 3.199 -2.201 -4.435
83 HG3 ARG 9 HG1 ARG 9 2.491 -3.105 -5.812
84 HD2 ARG 9 HD2 ARG 9 5.174 -1.568 -5.902
85 HD3 ARG 9 HD1 ARG 9 5.018 -3.359 -5.637
86 HE ARG 9 HE ARG 9 4.594 -1.897 -8.186
87 HH11 ARG 9 HH11 ARG 9 4.054 -4.856 -6.268
88 HH12 ARG 9 HH12 ARG 9 3.784 -5.878 -7.640
89 HH21 ARG 9 HH21 ARG 9 4.225 -3.289 -10.044
90 HH22 ARG 9 HH22 ARG 9 3.883 -4.972 -9.821
91 H ASP 10 HN ASP 10 1.499 2.184 -5.040
92 HA ASP 10 HA ASP 10 2.661 3.293 -7.297
93 HB2 ASP 10 HB2 ASP 10 0.474 2.245 -7.380
94 HB3 ASP 10 HB1 ASP 10 -0.072 3.771 -6.593
95 H DPN 11 HN DPN 11 2.321 3.720 -3.990
96 HA DPN 11 HA DPN 11 1.980 6.576 -4.430
97 HB2 DPN 11 HB1 DPN 11 4.501 6.339 -3.219
98 HB3 DPN 11 HB2 DPN 11 4.134 7.070 -4.827
99 HD1 DPN 11 HD1 DPN 11 4.483 5.657 -6.837
100 HD2 DPN 11 HD2 DPN 11 4.946 4.525 -2.880
101 HE1 DPN 11 HE1 DPN 11 4.915 3.318 -7.470
102 HE2 DPN 11 HE2 DPN 11 5.360 2.358 -3.461
103 HZ DPN 11 HZ DPN 11 5.255 1.818 -5.608
104 H ILE 12 HN ILE 12 3.907 4.890 -2.036
105 HA ILE 12 HA ILE 12 3.379 6.749 -0.079
106 HB ILE 12 HB ILE 12 2.529 4.638 1.372
107 HG12 ILE 12 HG12 ILE 12 0.706 3.578 0.088
108 HG13 ILE 12 HG11 ILE 12 1.234 4.498 -1.382
109 HG21 ILE 12 HG21 ILE 12 1.276 6.505 1.929
110 HG22 ILE 12 HG22 ILE 12 0.117 5.898 0.686
111 HG23 ILE 12 HG23 ILE 12 1.335 7.152 0.244
112 HD11 ILE 12 HD11 ILE 12 2.898 3.161 -1.758
113 HD12 ILE 12 HD12 ILE 12 2.292 2.127 -0.384
114 HD13 ILE 12 HD13 ILE 12 3.469 3.353 -0.086
115 H LEU 13 HN LEU 13 4.959 4.362 -1.723
116 HA LEU 13 HA LEU 13 6.692 3.569 0.502
117 HB2 LEU 13 HB2 LEU 13 6.716 2.542 -2.352
118 HB3 LEU 13 HB1 LEU 13 7.270 1.686 -0.868
119 HG LEU 13 HG LEU 13 4.482 2.472 -1.631
120 HD11 LEU 13 HD11 LEU 13 4.681 -0.353 -1.456
121 HD12 LEU 13 HD12 LEU 13 6.154 0.205 -2.344
122 HD13 LEU 13 HD13 LEU 13 4.523 0.678 -2.941
123 HD21 LEU 13 HD21 LEU 13 4.858 2.619 0.788
124 HD22 LEU 13 HD22 LEU 13 5.544 0.933 0.813
125 HD23 LEU 13 HD23 LEU 13 3.801 1.189 0.409
126 H GLN 14 HN GLN 14 6.649 4.518 -2.959
127 HA GLN 14 HA GLN 14 9.472 4.875 -3.035
128 HB2 GLN 14 HB2 GLN 14 7.435 6.440 -4.696
129 HB3 GLN 14 HB1 GLN 14 9.165 6.162 -5.110
130 HG2 GLN 14 HG2 GLN 14 6.868 4.220 -5.045
131 HG3 GLN 14 HG1 GLN 14 7.896 4.648 -6.456
132 HE21 GLN 14 HE21 GLN 14 7.301 2.609 -3.860
133 HE22 GLN 14 HE22 GLN 14 8.770 1.672 -3.852
134 H ARG 15 HN ARG 15 6.781 6.478 -1.762
135 HA ARG 15 HA ARG 15 8.386 8.910 -1.559
136 HB2 ARG 15 HB2 ARG 15 5.614 8.878 -0.412
137 HB3 ARG 15 HB1 ARG 15 6.443 10.179 -1.327
138 HG2 ARG 15 HG2 ARG 15 5.661 9.443 -3.355
139 HG3 ARG 15 HG1 ARG 15 5.791 7.704 -2.898
140 HD2 ARG 15 HD2 ARG 15 3.400 8.324 -3.137
141 HD3 ARG 15 HD1 ARG 15 3.785 7.952 -1.398
142 HE ARG 15 HE ARG 15 3.475 10.268 -0.880
143 HH11 ARG 15 HH11 ARG 15 3.471 9.700 -4.406
144 HH12 ARG 15 HH12 ARG 15 2.885 11.278 -4.812
145 HH21 ARG 15 HH21 ARG 15 2.680 12.408 -1.442
146 HH22 ARG 15 HH22 ARG 15 2.429 12.842 -3.099
147 H LYS 16 HN LYS 16 6.865 6.201 -0.020
148 HA LYS 16 HA LYS 16 7.042 5.260 1.899
149 HB2 LYS 16 HB2 LYS 16 8.844 7.579 2.682
150 HB3 LYS 16 HB1 LYS 16 8.474 6.213 3.774
151 HG2 LYS 16 HG2 LYS 16 9.871 5.980 1.041
152 HG3 LYS 16 HG1 LYS 16 10.703 5.985 2.635
153 HD2 LYS 16 HD2 LYS 16 9.256 3.954 3.275
154 HD3 LYS 16 HD1 LYS 16 8.701 3.902 1.567
155 HE2 LYS 16 HE2 LYS 16 11.663 3.715 2.455
156 HE3 LYS 16 HE1 LYS 16 10.612 2.303 2.021
157 HZ1 LYS 16 HZ1 LYS 16 11.342 2.669 -0.007
158 HZ2 LYS 16 HZ2 LYS 16 11.936 4.221 0.345
159 HZ3 LYS 16 HZ3 LYS 16 10.295 4.010 -0.061
160 H LYS 17 HN LYS 17 5.358 7.816 1.148
161 HA LYS 17 HA LYS 17 3.698 7.538 3.355
162 HB2 LYS 17 HB2 LYS 17 3.809 10.104 4.004
163 HB3 LYS 17 HB1 LYS 17 4.951 8.953 4.771
164 HG2 LYS 17 HG2 LYS 17 6.478 10.556 4.165
165 HG3 LYS 17 HG1 LYS 17 6.479 9.620 2.636
166 HD2 LYS 17 HD2 LYS 17 4.463 11.306 2.007
167 HD3 LYS 17 HD1 LYS 17 5.250 12.332 3.257
168 HE2 LYS 17 HE2 LYS 17 7.430 12.181 2.012
169 HE3 LYS 17 HE1 LYS 17 6.629 11.145 0.755
170 HZ1 LYS 17 HZ1 LYS 17 5.247 13.612 1.339
171 HZ2 LYS 17 HZ2 LYS 17 5.670 12.902 -0.146
172 HZ3 LYS 17 HZ3 LYS 17 6.810 13.826 0.709
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 -1.044 -9.369 -6.586
2 H2 GLU 1 HT2 GLU 1 -2.673 -9.251 -6.117
3 H3 GLU 1 HT3 GLU 1 -1.980 -10.774 -6.408
4 HA GLU 1 HA GLU 1 -1.695 -10.879 -4.243
5 HB2 GLU 1 HB2 GLU 1 0.402 -8.706 -4.831
6 HB3 GLU 1 HB1 GLU 1 0.410 -9.795 -3.400
7 HG2 GLU 1 HG2 GLU 1 0.675 -10.706 -6.349
8 HG3 GLU 1 HG1 GLU 1 2.022 -10.580 -5.150
9 H MET 2 HN MET 2 -1.755 -7.395 -5.228
10 HA MET 2 HA MET 2 -3.319 -6.924 -2.797
11 HB2 MET 2 HB2 MET 2 -0.906 -5.429 -3.796
12 HB3 MET 2 HB1 MET 2 -2.280 -4.437 -3.199
13 HG2 MET 2 HG2 MET 2 -0.333 -6.165 -1.704
14 HG3 MET 2 HG1 MET 2 -1.114 -4.617 -1.262
15 HE1 MET 2 HE1 MET 2 -4.146 -4.840 -0.021
16 HE2 MET 2 HE2 MET 2 -4.759 -6.003 -1.247
17 HE3 MET 2 HE3 MET 2 -3.621 -4.705 -1.733
18 H ARG 3 HN ARG 3 -4.299 -4.604 -3.038
19 HA ARG 3 HA ARG 3 -5.583 -4.643 -5.609
20 HB2 ARG 3 HB2 ARG 3 -6.548 -4.416 -2.799
21 HB3 ARG 3 HB1 ARG 3 -7.527 -3.684 -4.124
22 HG2 ARG 3 HG2 ARG 3 -8.563 -5.785 -3.926
23 HG3 ARG 3 HG1 ARG 3 -7.327 -6.150 -5.183
24 HD2 ARG 3 HD2 ARG 3 -6.625 -7.848 -3.787
25 HD3 ARG 3 HD1 ARG 3 -5.926 -6.527 -2.740
26 HE ARG 3 HE ARG 3 -8.732 -6.837 -2.129
27 HH11 ARG 3 HH11 ARG 3 -5.591 -8.500 -1.873
28 HH12 ARG 3 HH12 ARG 3 -5.986 -9.355 -0.420
29 HH21 ARG 3 HH21 ARG 3 -9.272 -8.001 -0.151
30 HH22 ARG 3 HH22 ARG 3 -8.115 -9.066 0.575
31 H LEU 4 HN LEU 4 -4.112 -3.169 -3.011
32 HA LEU 4 HA LEU 4 -5.109 -0.590 -3.445
33 HB2 LEU 4 HB2 LEU 4 -2.446 -0.714 -2.391
34 HB3 LEU 4 HB1 LEU 4 -3.908 -0.106 -1.603
35 HG LEU 4 HG LEU 4 -3.228 -2.985 -1.854
36 HD11 LEU 4 HD11 LEU 4 -2.838 -2.041 0.835
37 HD12 LEU 4 HD12 LEU 4 -1.929 -0.981 -0.330
38 HD13 LEU 4 HD13 LEU 4 -1.658 -2.765 -0.340
39 HD21 LEU 4 HD21 LEU 4 -4.865 -2.861 0.314
40 HD22 LEU 4 HD22 LEU 4 -5.473 -3.069 -1.383
41 HD23 LEU 4 HD23 LEU 4 -5.481 -1.431 -0.606
42 H SER 5 HN SER 5 -2.398 -2.462 -3.927
43 HA SER 5 HA SER 5 -0.429 -1.194 -4.703
44 HB2 SER 5 HB2 SER 5 0.398 -3.153 -5.197
45 HB3 SER 5 HB1 SER 5 -1.265 -3.710 -4.701
46 HG SER 5 HG SER 5 -0.417 -3.098 -7.374
47 H LYS 6 HN LYS 6 -3.122 -0.683 -6.630
48 HA LYS 6 HA LYS 6 -1.480 0.307 -8.793
49 HB2 LYS 6 HB2 LYS 6 -4.399 0.904 -7.965
50 HB3 LYS 6 HB1 LYS 6 -3.599 1.491 -9.467
51 HG2 LYS 6 HG2 LYS 6 -3.385 -0.824 -10.310
52 HG3 LYS 6 HG1 LYS 6 -4.071 -1.475 -8.781
53 HD2 LYS 6 HD2 LYS 6 -6.209 -0.303 -9.215
54 HD3 LYS 6 HD1 LYS 6 -5.537 0.415 -10.720
55 HE2 LYS 6 HE2 LYS 6 -6.959 -1.546 -11.280
56 HE3 LYS 6 HE1 LYS 6 -5.229 -1.937 -11.654
57 HZ1 LYS 6 HZ1 LYS 6 -6.916 -3.398 -10.129
58 HZ2 LYS 6 HZ2 LYS 6 -6.000 -2.575 -8.960
59 HZ3 LYS 6 HZ3 LYS 6 -5.222 -3.517 -10.140
60 H PHE 7 HN PHE 7 -1.771 0.430 -5.529
61 HA PHE 7 HA PHE 7 -2.197 3.166 -4.961
62 HB2 PHE 7 HB2 PHE 7 -3.163 1.185 -3.949
63 HB3 PHE 7 HB1 PHE 7 -1.640 0.754 -3.218
64 HD1 PHE 7 HD1 PHE 7 -4.592 1.411 -2.443
65 HD2 PHE 7 HD2 PHE 7 -0.837 3.286 -2.327
66 HE1 PHE 7 HE1 PHE 7 -5.027 2.262 -0.251
67 HE2 PHE 7 HE2 PHE 7 -1.104 4.175 -0.319
68 HZ PHE 7 HZ PHE 7 -3.347 3.756 0.927
69 H PHE 8 HN PHE 8 -0.183 0.573 -3.692
70 HA PHE 8 HA PHE 8 1.191 2.637 -2.334
71 HB2 PHE 8 HB2 PHE 8 2.639 0.517 -1.630
72 HB3 PHE 8 HB1 PHE 8 1.096 0.836 -0.798
73 HD1 PHE 8 HD1 PHE 8 3.109 -1.172 -2.354
74 HD2 PHE 8 HD2 PHE 8 -0.867 -0.170 -1.737
75 HE1 PHE 8 HE1 PHE 8 2.538 -3.279 -3.049
76 HE2 PHE 8 HE2 PHE 8 -1.485 -2.337 -2.474
77 HZ PHE 8 HZ PHE 8 0.218 -3.909 -3.088
78 H ARG 9 HN ARG 9 1.143 0.154 -4.430
79 HA ARG 9 HA ARG 9 3.816 0.160 -4.889
80 HB2 ARG 9 HB2 ARG 9 1.338 -0.997 -5.895
81 HB3 ARG 9 HB1 ARG 9 2.621 -0.813 -7.166
82 HG2 ARG 9 HG2 ARG 9 3.230 -2.152 -4.494
83 HG3 ARG 9 HG1 ARG 9 2.387 -3.079 -5.779
84 HD2 ARG 9 HD2 ARG 9 5.024 -1.575 -6.299
85 HD3 ARG 9 HD1 ARG 9 4.984 -3.290 -5.693
86 HE ARG 9 HE ARG 9 3.244 -3.157 -7.950
87 HH11 ARG 9 HH11 ARG 9 6.677 -2.683 -7.127
88 HH12 ARG 9 HH12 ARG 9 7.276 -3.175 -8.675
89 HH21 ARG 9 HH21 ARG 9 4.058 -3.827 -10.056
90 HH22 ARG 9 HH22 ARG 9 5.760 -3.836 -10.370
91 H ASP 10 HN ASP 10 1.422 2.184 -5.040
92 HA ASP 10 HA ASP 10 2.594 3.332 -7.271
93 HB2 ASP 10 HB2 ASP 10 0.438 2.302 -7.469
94 HB3 ASP 10 HB1 ASP 10 -0.152 3.736 -6.554
95 H DPN 11 HN DPN 11 2.241 3.708 -3.963
96 HA DPN 11 HA DPN 11 1.885 6.570 -4.364
97 HB2 DPN 11 HB1 DPN 11 4.405 6.327 -3.148
98 HB3 DPN 11 HB2 DPN 11 4.041 7.079 -4.743
99 HD1 DPN 11 HD1 DPN 11 4.397 5.696 -6.776
100 HD2 DPN 11 HD2 DPN 11 4.863 4.506 -2.832
101 HE1 DPN 11 HE1 DPN 11 4.839 3.368 -7.445
102 HE2 DPN 11 HE2 DPN 11 5.285 2.347 -3.447
103 HZ DPN 11 HZ DPN 11 5.182 1.838 -5.608
104 H ILE 12 HN ILE 12 3.827 4.872 -2.006
105 HA ILE 12 HA ILE 12 3.243 6.677 -0.006
106 HB ILE 12 HB ILE 12 2.424 4.525 1.401
107 HG12 ILE 12 HG12 ILE 12 0.632 3.453 0.087
108 HG13 ILE 12 HG11 ILE 12 1.152 4.408 -1.364
109 HG21 ILE 12 HG21 ILE 12 0.035 5.863 0.416
110 HG22 ILE 12 HG22 ILE 12 1.346 7.092 0.525
111 HG23 ILE 12 HG23 ILE 12 0.887 6.130 1.983
112 HD11 ILE 12 HD11 ILE 12 2.254 2.043 -0.407
113 HD12 ILE 12 HD12 ILE 12 3.398 3.295 -0.064
114 HD13 ILE 12 HD13 ILE 12 2.834 3.103 -1.749
115 H LEU 13 HN LEU 13 4.847 4.282 -1.672
116 HA LEU 13 HA LEU 13 6.609 3.501 0.531
117 HB2 LEU 13 HB2 LEU 13 6.633 2.494 -2.327
118 HB3 LEU 13 HB1 LEU 13 7.190 1.631 -0.847
119 HG LEU 13 HG LEU 13 4.409 2.422 -1.607
120 HD11 LEU 13 HD11 LEU 13 6.076 0.135 -2.304
121 HD12 LEU 13 HD12 LEU 13 4.477 0.657 -2.953
122 HD13 LEU 13 HD13 LEU 13 4.563 -0.390 -1.468
123 HD21 LEU 13 HD21 LEU 13 5.472 0.873 0.832
124 HD22 LEU 13 HD22 LEU 13 3.729 1.124 0.431
125 HD23 LEU 13 HD23 LEU 13 4.787 2.558 0.819
126 H GLN 14 HN GLN 14 6.576 4.473 -2.933
127 HA GLN 14 HA GLN 14 9.405 4.759 -3.010
128 HB2 GLN 14 HB2 GLN 14 7.419 6.415 -4.644
129 HB3 GLN 14 HB1 GLN 14 9.139 6.087 -5.063
130 HG2 GLN 14 HG2 GLN 14 6.789 4.212 -5.015
131 HG3 GLN 14 HG1 GLN 14 7.809 4.639 -6.430
132 HE21 GLN 14 HE21 GLN 14 7.202 2.568 -3.858
133 HE22 GLN 14 HE22 GLN 14 8.648 1.598 -3.888
134 H ARG 15 HN ARG 15 6.783 6.395 -1.688
135 HA ARG 15 HA ARG 15 8.417 8.799 -1.475
136 HB2 ARG 15 HB2 ARG 15 5.674 8.757 -0.225
137 HB3 ARG 15 HB1 ARG 15 6.484 10.072 -1.143
138 HG2 ARG 15 HG2 ARG 15 5.643 9.374 -3.163
139 HG3 ARG 15 HG1 ARG 15 5.750 7.628 -2.726
140 HD2 ARG 15 HD2 ARG 15 3.356 8.424 -2.917
141 HD3 ARG 15 HD1 ARG 15 3.780 7.812 -1.260
142 HE ARG 15 HE ARG 15 3.534 10.024 -0.419
143 HH11 ARG 15 HH11 ARG 15 3.598 10.002 -3.991
144 HH12 ARG 15 HH12 ARG 15 3.125 11.658 -4.159
145 HH21 ARG 15 HH21 ARG 15 2.892 12.273 -0.660
146 HH22 ARG 15 HH22 ARG 15 2.718 12.970 -2.236
147 H LYS 16 HN LYS 16 6.882 6.076 0.124
148 HA LYS 16 HA LYS 16 6.869 5.268 2.150
149 HB2 LYS 16 HB2 LYS 16 9.130 7.247 2.669
150 HB3 LYS 16 HB1 LYS 16 8.608 6.007 3.846
151 HG2 LYS 16 HG2 LYS 16 9.825 5.476 1.070
152 HG3 LYS 16 HG1 LYS 16 10.686 5.345 2.638
153 HD2 LYS 16 HD2 LYS 16 8.908 3.607 3.338
154 HD3 LYS 16 HD1 LYS 16 8.341 3.625 1.634
155 HE2 LYS 16 HE2 LYS 16 11.227 2.941 2.523
156 HE3 LYS 16 HE1 LYS 16 9.948 1.732 2.085
157 HZ1 LYS 16 HZ1 LYS 16 11.632 3.308 0.416
158 HZ2 LYS 16 HZ2 LYS 16 9.992 3.535 0.019
159 HZ3 LYS 16 HZ3 LYS 16 10.658 1.968 0.040
160 H LYS 17 HN LYS 17 5.456 7.625 1.234
161 HA LYS 17 HA LYS 17 4.211 9.283 1.873
162 HB2 LYS 17 HB2 LYS 17 3.939 7.282 4.009
163 HB3 LYS 17 HB1 LYS 17 3.723 8.943 4.671
164 HG2 LYS 17 HG2 LYS 17 2.211 7.657 2.340
165 HG3 LYS 17 HG1 LYS 17 1.549 8.098 3.953
166 HD2 LYS 17 HD2 LYS 17 1.031 10.165 3.169
167 HD3 LYS 17 HD1 LYS 17 2.767 10.473 2.828
168 HE2 LYS 17 HE2 LYS 17 1.791 10.791 0.702
169 HE3 LYS 17 HE1 LYS 17 2.305 9.053 0.609
170 HZ1 LYS 17 HZ1 LYS 17 -0.104 8.774 1.638
171 HZ2 LYS 17 HZ2 LYS 17 0.184 8.862 -0.034
172 HZ3 LYS 17 HZ3 LYS 17 -0.360 10.232 0.809
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 0.497 -9.626 -3.421
2 H2 GLU 1 HT2 GLU 1 0.830 -8.782 -4.858
3 H3 GLU 1 HT3 GLU 1 0.826 -10.480 -4.853
4 HA GLU 1 HA GLU 1 -1.169 -9.304 -5.814
5 HB2 GLU 1 HB2 GLU 1 -1.055 -11.756 -5.223
6 HB3 GLU 1 HB1 GLU 1 -1.557 -11.344 -3.545
7 HG2 GLU 1 HG2 GLU 1 -3.752 -10.477 -4.384
8 HG3 GLU 1 HG1 GLU 1 -3.254 -10.830 -6.085
9 H MET 2 HN MET 2 -1.859 -7.201 -5.336
10 HA MET 2 HA MET 2 -3.352 -6.994 -2.850
11 HB2 MET 2 HB2 MET 2 -0.989 -5.344 -3.623
12 HB3 MET 2 HB1 MET 2 -2.429 -4.403 -3.109
13 HG2 MET 2 HG2 MET 2 -0.570 -6.155 -1.519
14 HG3 MET 2 HG1 MET 2 -1.378 -4.613 -1.100
15 HE1 MET 2 HE1 MET 2 -3.804 -4.608 -1.643
16 HE2 MET 2 HE2 MET 2 -4.609 -4.986 -0.083
17 HE3 MET 2 HE3 MET 2 -4.947 -5.987 -1.541
18 H ARG 3 HN ARG 3 -4.382 -4.564 -3.014
19 HA ARG 3 HA ARG 3 -5.709 -4.625 -5.536
20 HB2 ARG 3 HB2 ARG 3 -6.866 -5.478 -3.331
21 HB3 ARG 3 HB1 ARG 3 -6.825 -3.720 -2.912
22 HG2 ARG 3 HG2 ARG 3 -7.974 -4.496 -5.605
23 HG3 ARG 3 HG1 ARG 3 -8.955 -4.860 -4.138
24 HD2 ARG 3 HD2 ARG 3 -7.741 -2.167 -3.965
25 HD3 ARG 3 HD1 ARG 3 -8.767 -2.340 -5.464
26 HE ARG 3 HE ARG 3 -10.209 -3.468 -3.241
27 HH11 ARG 3 HH11 ARG 3 -8.963 -0.367 -4.468
28 HH12 ARG 3 HH12 ARG 3 -10.199 0.599 -3.735
29 HH21 ARG 3 HH21 ARG 3 -11.893 -2.158 -2.241
30 HH22 ARG 3 HH22 ARG 3 -11.894 -0.438 -2.445
31 H LEU 4 HN LEU 4 -4.259 -3.094 -2.927
32 HA LEU 4 HA LEU 4 -5.168 -0.518 -3.446
33 HB2 LEU 4 HB2 LEU 4 -2.521 -0.673 -2.361
34 HB3 LEU 4 HB1 LEU 4 -3.979 -0.022 -1.601
35 HG LEU 4 HG LEU 4 -3.352 -2.917 -1.785
36 HD11 LEU 4 HD11 LEU 4 -1.783 -2.692 -0.264
37 HD12 LEU 4 HD12 LEU 4 -2.960 -1.924 0.886
38 HD13 LEU 4 HD13 LEU 4 -2.023 -0.904 -0.292
39 HD21 LEU 4 HD21 LEU 4 -5.630 -2.865 -1.365
40 HD22 LEU 4 HD22 LEU 4 -5.542 -1.282 -0.487
41 HD23 LEU 4 HD23 LEU 4 -4.997 -2.798 0.331
42 H SER 5 HN SER 5 -2.480 -2.450 -3.861
43 HA SER 5 HA SER 5 -0.487 -1.211 -4.631
44 HB2 SER 5 HB2 SER 5 0.335 -3.184 -5.079
45 HB3 SER 5 HB1 SER 5 -1.336 -3.718 -4.594
46 HG SER 5 HG SER 5 -0.459 -3.165 -7.267
47 H LYS 6 HN LYS 6 -3.144 -0.708 -6.599
48 HA LYS 6 HA LYS 6 -1.460 0.222 -8.762
49 HB2 LYS 6 HB2 LYS 6 -4.389 0.881 -8.014
50 HB3 LYS 6 HB1 LYS 6 -3.545 1.409 -9.513
51 HG2 LYS 6 HG2 LYS 6 -3.428 -0.866 -10.361
52 HG3 LYS 6 HG1 LYS 6 -3.970 -1.550 -8.790
53 HD2 LYS 6 HD2 LYS 6 -5.852 -1.606 -10.318
54 HD3 LYS 6 HD1 LYS 6 -6.176 -0.345 -9.079
55 HE2 LYS 6 HE2 LYS 6 -5.521 1.448 -10.688
56 HE3 LYS 6 HE1 LYS 6 -5.100 0.198 -11.932
57 HZ1 LYS 6 HZ1 LYS 6 -7.496 1.385 -11.619
58 HZ2 LYS 6 HZ2 LYS 6 -7.739 -0.091 -10.813
59 HZ3 LYS 6 HZ3 LYS 6 -7.216 -0.080 -12.428
60 H PHE 7 HN PHE 7 -1.796 0.410 -5.509
61 HA PHE 7 HA PHE 7 -2.199 3.161 -5.000
62 HB2 PHE 7 HB2 PHE 7 -3.201 1.214 -3.959
63 HB3 PHE 7 HB1 PHE 7 -1.691 0.780 -3.203
64 HD1 PHE 7 HD1 PHE 7 -4.642 1.481 -2.468
65 HD2 PHE 7 HD2 PHE 7 -0.869 3.324 -2.357
66 HE1 PHE 7 HE1 PHE 7 -5.087 2.382 -0.297
67 HE2 PHE 7 HE2 PHE 7 -1.146 4.254 -0.369
68 HZ PHE 7 HZ PHE 7 -3.403 3.883 0.864
69 H PHE 8 HN PHE 8 -0.229 0.572 -3.655
70 HA PHE 8 HA PHE 8 1.151 2.649 -2.323
71 HB2 PHE 8 HB2 PHE 8 2.565 0.530 -1.551
72 HB3 PHE 8 HB1 PHE 8 1.012 0.883 -0.750
73 HD1 PHE 8 HD1 PHE 8 3.027 -1.182 -2.222
74 HD2 PHE 8 HD2 PHE 8 -0.947 -0.121 -1.702
75 HE1 PHE 8 HE1 PHE 8 2.442 -3.298 -2.878
76 HE2 PHE 8 HE2 PHE 8 -1.578 -2.298 -2.399
77 HZ PHE 8 HZ PHE 8 0.118 -3.903 -2.943
78 H ARG 9 HN ARG 9 1.105 0.108 -4.351
79 HA ARG 9 HA ARG 9 3.782 0.079 -4.783
80 HB2 ARG 9 HB2 ARG 9 1.302 -1.070 -5.795
81 HB3 ARG 9 HB1 ARG 9 2.605 -0.932 -7.053
82 HG2 ARG 9 HG2 ARG 9 3.165 -2.214 -4.344
83 HG3 ARG 9 HG1 ARG 9 2.319 -3.162 -5.613
84 HD2 ARG 9 HD2 ARG 9 4.984 -1.708 -6.142
85 HD3 ARG 9 HD1 ARG 9 4.910 -3.409 -5.500
86 HE ARG 9 HE ARG 9 3.194 -3.297 -7.776
87 HH11 ARG 9 HH11 ARG 9 6.627 -2.861 -6.931
88 HH12 ARG 9 HH12 ARG 9 7.233 -3.393 -8.464
89 HH21 ARG 9 HH21 ARG 9 4.016 -4.021 -9.862
90 HH22 ARG 9 HH22 ARG 9 5.721 -4.064 -10.159
91 H ASP 10 HN ASP 10 1.416 2.126 -5.015
92 HA ASP 10 HA ASP 10 2.623 3.209 -7.259
93 HB2 ASP 10 HB2 ASP 10 0.428 2.177 -7.374
94 HB3 ASP 10 HB1 ASP 10 -0.119 3.714 -6.607
95 H DPN 11 HN DPN 11 2.237 3.665 -3.962
96 HA DPN 11 HA DPN 11 1.917 6.518 -4.427
97 HB2 DPN 11 HB1 DPN 11 4.420 6.283 -3.180
98 HB3 DPN 11 HB2 DPN 11 4.082 6.997 -4.798
99 HD1 DPN 11 HD1 DPN 11 4.449 5.561 -6.789
100 HD2 DPN 11 HD2 DPN 11 4.858 4.464 -2.811
101 HE1 DPN 11 HE1 DPN 11 4.869 3.213 -7.395
102 HE2 DPN 11 HE2 DPN 11 5.259 2.284 -3.370
103 HZ DPN 11 HZ DPN 11 5.174 1.723 -5.520
104 H ILE 12 HN ILE 12 3.816 4.858 -2.008
105 HA ILE 12 HA ILE 12 3.225 6.709 -0.054
106 HB ILE 12 HB ILE 12 2.366 4.597 1.389
107 HG12 ILE 12 HG12 ILE 12 0.577 3.517 0.077
108 HG13 ILE 12 HG11 ILE 12 1.126 4.434 -1.387
109 HG21 ILE 12 HG21 ILE 12 1.305 7.145 0.402
110 HG22 ILE 12 HG22 ILE 12 0.872 6.263 1.916
111 HG23 ILE 12 HG23 ILE 12 -0.008 5.914 0.381
112 HD11 ILE 12 HD11 ILE 12 3.345 3.330 -0.051
113 HD12 ILE 12 HD12 ILE 12 2.790 3.099 -1.725
114 HD13 ILE 12 HD13 ILE 12 2.178 2.077 -0.350
115 H LEU 13 HN LEU 13 4.817 4.254 -1.643
116 HA LEU 13 HA LEU 13 6.543 3.502 0.599
117 HB2 LEU 13 HB2 LEU 13 6.595 2.439 -2.239
118 HB3 LEU 13 HB1 LEU 13 7.119 1.598 -0.734
119 HG LEU 13 HG LEU 13 4.359 2.407 -1.550
120 HD11 LEU 13 HD11 LEU 13 4.490 -0.407 -1.349
121 HD12 LEU 13 HD12 LEU 13 6.010 0.097 -2.190
122 HD13 LEU 13 HD13 LEU 13 4.412 0.610 -2.851
123 HD21 LEU 13 HD21 LEU 13 3.636 1.158 0.505
124 HD22 LEU 13 HD22 LEU 13 4.702 2.590 0.876
125 HD23 LEU 13 HD23 LEU 13 5.374 0.899 0.934
126 H GLN 14 HN GLN 14 6.565 4.405 -2.883
127 HA GLN 14 HA GLN 14 9.400 4.658 -2.929
128 HB2 GLN 14 HB2 GLN 14 7.450 6.286 -4.635
129 HB3 GLN 14 HB1 GLN 14 9.175 5.938 -5.019
130 HG2 GLN 14 HG2 GLN 14 6.807 4.083 -4.971
131 HG3 GLN 14 HG1 GLN 14 7.865 4.465 -6.373
132 HE21 GLN 14 HE21 GLN 14 7.178 2.468 -3.762
133 HE22 GLN 14 HE22 GLN 14 8.614 1.482 -3.736
134 H ARG 15 HN ARG 15 6.756 6.367 -1.725
135 HA ARG 15 HA ARG 15 8.408 8.760 -1.545
136 HB2 ARG 15 HB2 ARG 15 5.663 8.759 -0.296
137 HB3 ARG 15 HB1 ARG 15 6.484 10.052 -1.239
138 HG2 ARG 15 HG2 ARG 15 5.649 9.312 -3.248
139 HG3 ARG 15 HG1 ARG 15 5.734 7.576 -2.769
140 HD2 ARG 15 HD2 ARG 15 3.351 8.387 -2.985
141 HD3 ARG 15 HD1 ARG 15 3.766 7.827 -1.307
142 HE ARG 15 HE ARG 15 3.544 10.071 -0.541
143 HH11 ARG 15 HH11 ARG 15 3.592 9.916 -4.110
144 HH12 ARG 15 HH12 ARG 15 3.177 11.581 -4.339
145 HH21 ARG 15 HH21 ARG 15 2.990 12.338 -0.866
146 HH22 ARG 15 HH22 ARG 15 2.831 12.979 -2.466
147 H LYS 16 HN LYS 16 6.887 6.065 0.078
148 HA LYS 16 HA LYS 16 6.894 5.264 2.109
149 HB2 LYS 16 HB2 LYS 16 9.297 7.111 2.272
150 HB3 LYS 16 HB1 LYS 16 8.689 6.358 3.777
151 HG2 LYS 16 HG2 LYS 16 10.007 4.581 3.296
152 HG3 LYS 16 HG1 LYS 16 8.849 4.195 1.974
153 HD2 LYS 16 HD2 LYS 16 10.904 4.258 0.833
154 HD3 LYS 16 HD1 LYS 16 10.248 5.907 0.543
155 HE2 LYS 16 HE2 LYS 16 11.695 6.835 2.353
156 HE3 LYS 16 HE1 LYS 16 12.307 5.173 2.741
157 HZ1 LYS 16 HZ1 LYS 16 13.531 6.817 1.111
158 HZ2 LYS 16 HZ2 LYS 16 12.512 6.079 -0.029
159 HZ3 LYS 16 HZ3 LYS 16 13.567 5.131 0.907
160 H LYS 17 HN LYS 17 5.501 7.664 1.190
161 HA LYS 17 HA LYS 17 4.231 9.293 1.849
162 HB2 LYS 17 HB2 LYS 17 4.049 7.339 4.056
163 HB3 LYS 17 HB1 LYS 17 3.783 9.020 4.644
164 HG2 LYS 17 HG2 LYS 17 2.298 7.590 2.379
165 HG3 LYS 17 HG1 LYS 17 1.636 8.049 3.987
166 HD2 LYS 17 HD2 LYS 17 1.053 10.093 3.186
167 HD3 LYS 17 HD1 LYS 17 2.760 10.429 2.733
168 HE2 LYS 17 HE2 LYS 17 2.419 9.255 0.541
169 HE3 LYS 17 HE1 LYS 17 0.682 8.954 0.988
170 HZ1 LYS 17 HZ1 LYS 17 1.731 11.692 1.131
171 HZ2 LYS 17 HZ2 LYS 17 0.171 11.127 0.772
172 HZ3 LYS 17 HZ3 LYS 17 1.402 11.016 -0.393
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 0.291 -10.967 -4.440
2 H2 GLU 1 HT2 GLU 1 -0.078 -10.113 -3.020
3 H3 GLU 1 HT3 GLU 1 0.529 -9.287 -4.375
4 HA GLU 1 HA GLU 1 -1.403 -9.537 -5.576
5 HB2 GLU 1 HB2 GLU 1 -1.699 -11.982 -4.946
6 HB3 GLU 1 HB1 GLU 1 -2.375 -11.445 -3.368
7 HG2 GLU 1 HG2 GLU 1 -4.273 -10.303 -4.538
8 HG3 GLU 1 HG1 GLU 1 -3.588 -10.785 -6.142
9 H MET 2 HN MET 2 -1.710 -7.324 -5.113
10 HA MET 2 HA MET 2 -3.319 -6.857 -2.706
11 HB2 MET 2 HB2 MET 2 -0.906 -5.374 -3.719
12 HB3 MET 2 HB1 MET 2 -2.275 -4.374 -3.125
13 HG2 MET 2 HG2 MET 2 -0.334 -6.105 -1.625
14 HG3 MET 2 HG1 MET 2 -1.101 -4.548 -1.190
15 HE1 MET 2 HE1 MET 2 -4.755 -5.907 -1.159
16 HE2 MET 2 HE2 MET 2 -3.609 -4.620 -1.653
17 HE3 MET 2 HE3 MET 2 -4.132 -4.745 0.062
18 H ARG 3 HN ARG 3 -4.285 -4.525 -2.960
19 HA ARG 3 HA ARG 3 -5.586 -4.579 -5.521
20 HB2 ARG 3 HB2 ARG 3 -6.532 -4.323 -2.707
21 HB3 ARG 3 HB1 ARG 3 -7.514 -3.592 -4.031
22 HG2 ARG 3 HG2 ARG 3 -8.567 -5.682 -3.814
23 HG3 ARG 3 HG1 ARG 3 -7.338 -6.068 -5.074
24 HD2 ARG 3 HD2 ARG 3 -6.644 -7.760 -3.666
25 HD3 ARG 3 HD1 ARG 3 -5.930 -6.436 -2.633
26 HE ARG 3 HE ARG 3 -8.735 -6.717 -2.007
27 HH11 ARG 3 HH11 ARG 3 -5.609 -8.405 -1.752
28 HH12 ARG 3 HH12 ARG 3 -6.007 -9.247 -0.292
29 HH21 ARG 3 HH21 ARG 3 -9.279 -7.863 -0.020
30 HH22 ARG 3 HH22 ARG 3 -8.130 -8.934 0.708
31 H LEU 4 HN LEU 4 -4.087 -3.094 -2.948
32 HA LEU 4 HA LEU 4 -5.065 -0.510 -3.403
33 HB2 LEU 4 HB2 LEU 4 -2.398 -0.649 -2.360
34 HB3 LEU 4 HB1 LEU 4 -3.851 -0.018 -1.571
35 HG LEU 4 HG LEU 4 -3.199 -2.904 -1.796
36 HD11 LEU 4 HD11 LEU 4 -1.872 -0.900 -0.300
37 HD12 LEU 4 HD12 LEU 4 -1.622 -2.688 -0.290
38 HD13 LEU 4 HD13 LEU 4 -2.789 -1.931 0.881
39 HD21 LEU 4 HD21 LEU 4 -5.441 -2.967 -1.312
40 HD22 LEU 4 HD22 LEU 4 -5.433 -1.318 -0.556
41 HD23 LEU 4 HD23 LEU 4 -4.827 -2.741 0.379
42 H SER 5 HN SER 5 -2.374 -2.410 -3.877
43 HA SER 5 HA SER 5 -0.396 -1.167 -4.675
44 HB2 SER 5 HB2 SER 5 0.410 -3.139 -5.148
45 HB3 SER 5 HB1 SER 5 -1.257 -3.675 -4.643
46 HG SER 5 HG SER 5 -0.432 -3.084 -7.328
47 H LYS 6 HN LYS 6 -3.086 -0.639 -6.579
48 HA LYS 6 HA LYS 6 -1.435 0.310 -8.764
49 HB2 LYS 6 HB2 LYS 6 -4.344 1.044 -8.019
50 HB3 LYS 6 HB1 LYS 6 -3.500 1.447 -9.556
51 HG2 LYS 6 HG2 LYS 6 -4.211 -1.400 -8.610
52 HG3 LYS 6 HG1 LYS 6 -5.147 -0.436 -9.803
53 HD2 LYS 6 HD2 LYS 6 -3.114 -0.344 -11.290
54 HD3 LYS 6 HD1 LYS 6 -2.219 -1.357 -10.105
55 HE2 LYS 6 HE2 LYS 6 -3.882 -3.218 -10.438
56 HE3 LYS 6 HE1 LYS 6 -4.772 -2.195 -11.641
57 HZ1 LYS 6 HZ1 LYS 6 -3.139 -3.824 -12.543
58 HZ2 LYS 6 HZ2 LYS 6 -1.893 -2.874 -11.889
59 HZ3 LYS 6 HZ3 LYS 6 -2.932 -2.221 -13.063
60 H PHE 7 HN PHE 7 -1.729 0.462 -5.513
61 HA PHE 7 HA PHE 7 -2.135 3.206 -4.969
62 HB2 PHE 7 HB2 PHE 7 -3.113 1.242 -3.934
63 HB3 PHE 7 HB1 PHE 7 -1.589 0.809 -3.203
64 HD1 PHE 7 HD1 PHE 7 -4.534 1.493 -2.426
65 HD2 PHE 7 HD2 PHE 7 -0.768 3.347 -2.345
66 HE1 PHE 7 HE1 PHE 7 -4.958 2.376 -0.244
67 HE2 PHE 7 HE2 PHE 7 -1.025 4.266 -0.349
68 HZ PHE 7 HZ PHE 7 -3.266 3.877 0.909
69 H PHE 8 HN PHE 8 -0.134 0.611 -3.682
70 HA PHE 8 HA PHE 8 1.252 2.677 -2.343
71 HB2 PHE 8 HB2 PHE 8 2.695 0.556 -1.627
72 HB3 PHE 8 HB1 PHE 8 1.154 0.886 -0.795
73 HD1 PHE 8 HD1 PHE 8 3.155 -1.148 -2.333
74 HD2 PHE 8 HD2 PHE 8 -0.813 -0.109 -1.723
75 HE1 PHE 8 HE1 PHE 8 2.563 -3.260 -3.004
76 HE2 PHE 8 HE2 PHE 8 -1.451 -2.276 -2.433
77 HZ PHE 8 HZ PHE 8 0.238 -3.870 -3.031
78 H ARG 9 HN ARG 9 1.196 0.162 -4.402
79 HA ARG 9 HA ARG 9 3.863 0.151 -4.883
80 HB2 ARG 9 HB2 ARG 9 1.367 -0.994 -5.867
81 HB3 ARG 9 HB1 ARG 9 2.650 -0.836 -7.143
82 HG2 ARG 9 HG2 ARG 9 3.267 -2.145 -4.460
83 HG3 ARG 9 HG1 ARG 9 2.392 -3.083 -5.717
84 HD2 ARG 9 HD2 ARG 9 5.043 -1.623 -6.299
85 HD3 ARG 9 HD1 ARG 9 4.986 -3.328 -5.664
86 HE ARG 9 HE ARG 9 3.217 -3.200 -7.900
87 HH11 ARG 9 HH11 ARG 9 6.668 -2.789 -7.125
88 HH12 ARG 9 HH12 ARG 9 7.238 -3.320 -8.673
89 HH21 ARG 9 HH21 ARG 9 3.990 -3.921 -10.005
90 HH22 ARG 9 HH22 ARG 9 5.688 -3.974 -10.338
91 H ASP 10 HN ASP 10 1.481 2.189 -5.053
92 HA ASP 10 HA ASP 10 2.646 3.305 -7.305
93 HB2 ASP 10 HB2 ASP 10 0.454 2.265 -7.392
94 HB3 ASP 10 HB1 ASP 10 -0.086 3.789 -6.597
95 H DPN 11 HN DPN 11 2.309 3.717 -3.995
96 HA DPN 11 HA DPN 11 1.976 6.577 -4.420
97 HB2 DPN 11 HB1 DPN 11 4.499 6.325 -3.212
98 HB3 DPN 11 HB2 DPN 11 4.134 7.066 -4.815
99 HD1 DPN 11 HD1 DPN 11 4.475 5.662 -6.835
100 HD2 DPN 11 HD2 DPN 11 4.940 4.508 -2.883
101 HE1 DPN 11 HE1 DPN 11 4.897 3.324 -7.480
102 HE2 DPN 11 HE2 DPN 11 5.344 2.344 -3.476
103 HZ DPN 11 HZ DPN 11 5.235 1.814 -5.625
104 H ILE 12 HN ILE 12 3.902 4.872 -2.036
105 HA ILE 12 HA ILE 12 3.381 6.724 -0.069
106 HB ILE 12 HB ILE 12 2.528 4.605 1.372
107 HG12 ILE 12 HG12 ILE 12 0.698 3.559 0.083
108 HG13 ILE 12 HG11 ILE 12 1.228 4.484 -1.381
109 HG21 ILE 12 HG21 ILE 12 1.291 6.482 1.938
110 HG22 ILE 12 HG22 ILE 12 0.117 5.870 0.713
111 HG23 ILE 12 HG23 ILE 12 1.328 7.124 0.252
112 HD11 ILE 12 HD11 ILE 12 3.459 3.330 -0.092
113 HD12 ILE 12 HD12 ILE 12 2.886 3.141 -1.763
114 HD13 ILE 12 HD13 ILE 12 2.271 2.105 -0.400
115 H LEU 13 HN LEU 13 4.951 4.338 -1.726
116 HA LEU 13 HA LEU 13 6.685 3.529 0.491
117 HB2 LEU 13 HB2 LEU 13 6.702 2.516 -2.366
118 HB3 LEU 13 HB1 LEU 13 7.255 1.651 -0.887
119 HG LEU 13 HG LEU 13 4.468 2.450 -1.644
120 HD11 LEU 13 HD11 LEU 13 4.509 0.667 -2.968
121 HD12 LEU 13 HD12 LEU 13 4.645 -0.372 -1.483
122 HD13 LEU 13 HD13 LEU 13 6.130 0.171 -2.358
123 HD21 LEU 13 HD21 LEU 13 4.848 2.586 0.776
124 HD22 LEU 13 HD22 LEU 13 5.527 0.897 0.792
125 HD23 LEU 13 HD23 LEU 13 3.784 1.163 0.391
126 H GLN 14 HN GLN 14 6.641 4.494 -2.966
127 HA GLN 14 HA GLN 14 9.466 4.841 -3.042
128 HB2 GLN 14 HB2 GLN 14 7.435 6.421 -4.695
129 HB3 GLN 14 HB1 GLN 14 9.163 6.135 -5.112
130 HG2 GLN 14 HG2 GLN 14 6.857 4.205 -5.052
131 HG3 GLN 14 HG1 GLN 14 7.884 4.635 -6.463
132 HE21 GLN 14 HE21 GLN 14 7.287 2.588 -3.874
133 HE22 GLN 14 HE22 GLN 14 8.752 1.644 -3.875
134 H ARG 15 HN ARG 15 6.784 6.450 -1.759
135 HA ARG 15 HA ARG 15 8.398 8.874 -1.551
136 HB2 ARG 15 HB2 ARG 15 5.630 8.851 -0.397
137 HB3 ARG 15 HB1 ARG 15 6.462 10.150 -1.313
138 HG2 ARG 15 HG2 ARG 15 5.667 9.423 -3.338
139 HG3 ARG 15 HG1 ARG 15 5.793 7.682 -2.886
140 HD2 ARG 15 HD2 ARG 15 3.402 8.321 -3.115
141 HD3 ARG 15 HD1 ARG 15 3.794 7.928 -1.382
142 HE ARG 15 HE ARG 15 3.512 10.244 -0.838
143 HH11 ARG 15 HH11 ARG 15 3.444 9.701 -4.368
144 HH12 ARG 15 HH12 ARG 15 2.865 11.286 -4.753
145 HH21 ARG 15 HH21 ARG 15 2.725 12.393 -1.372
146 HH22 ARG 15 HH22 ARG 15 2.450 12.842 -3.021
147 H LYS 16 HN LYS 16 6.867 6.167 -0.019
148 HA LYS 16 HA LYS 16 7.043 5.218 1.896
149 HB2 LYS 16 HB2 LYS 16 8.842 7.529 2.709
150 HB3 LYS 16 HB1 LYS 16 8.494 6.127 3.761
151 HG2 LYS 16 HG2 LYS 16 9.865 5.980 1.009
152 HG3 LYS 16 HG1 LYS 16 10.718 5.970 2.590
153 HD2 LYS 16 HD2 LYS 16 9.396 3.892 3.228
154 HD3 LYS 16 HD1 LYS 16 8.687 3.886 1.576
155 HE2 LYS 16 HE2 LYS 16 10.585 2.296 1.664
156 HE3 LYS 16 HE1 LYS 16 11.052 3.703 0.620
157 HZ1 LYS 16 HZ1 LYS 16 12.691 4.158 1.975
158 HZ2 LYS 16 HZ2 LYS 16 12.372 2.721 2.823
159 HZ3 LYS 16 HZ3 LYS 16 11.688 4.185 3.344
160 H LYS 17 HN LYS 17 5.358 7.763 1.153
161 HA LYS 17 HA LYS 17 3.707 7.503 3.364
162 HB2 LYS 17 HB2 LYS 17 3.831 10.060 4.024
163 HB3 LYS 17 HB1 LYS 17 4.982 8.907 4.775
164 HG2 LYS 17 HG2 LYS 17 6.506 10.506 4.161
165 HG3 LYS 17 HG1 LYS 17 6.482 9.590 2.622
166 HD2 LYS 17 HD2 LYS 17 4.430 11.308 2.099
167 HD3 LYS 17 HD1 LYS 17 5.332 12.316 3.284
168 HE2 LYS 17 HE2 LYS 17 6.532 11.057 0.725
169 HE3 LYS 17 HE1 LYS 17 6.058 12.796 0.933
170 HZ1 LYS 17 HZ1 LYS 17 7.640 12.394 3.047
171 HZ2 LYS 17 HZ2 LYS 17 8.166 12.985 1.545
172 HZ3 LYS 17 HZ3 LYS 17 8.355 11.340 1.926
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 0.373 -9.526 -6.107
2 H2 GLU 1 HT2 GLU 1 -0.015 -8.022 -5.419
3 H3 GLU 1 HT3 GLU 1 -1.070 -8.741 -6.541
4 HA GLU 1 HA GLU 1 -1.831 -10.289 -5.095
5 HB2 GLU 1 HB2 GLU 1 -0.653 -10.955 -2.997
6 HB3 GLU 1 HB1 GLU 1 0.405 -11.160 -4.436
7 HG2 GLU 1 HG2 GLU 1 1.512 -8.936 -3.920
8 HG3 GLU 1 HG1 GLU 1 0.491 -8.798 -2.435
9 H MET 2 HN MET 2 -1.915 -7.202 -5.256
10 HA MET 2 HA MET 2 -3.361 -6.917 -2.752
11 HB2 MET 2 HB2 MET 2 -0.987 -5.309 -3.583
12 HB3 MET 2 HB1 MET 2 -2.408 -4.344 -3.060
13 HG2 MET 2 HG2 MET 2 -0.544 -6.093 -1.474
14 HG3 MET 2 HG1 MET 2 -1.332 -4.538 -1.063
15 HE1 MET 2 HE1 MET 2 -4.552 -4.869 -0.001
16 HE2 MET 2 HE2 MET 2 -4.920 -5.893 -1.435
17 HE3 MET 2 HE3 MET 2 -3.769 -4.526 -1.580
18 H ARG 3 HN ARG 3 -4.367 -4.486 -2.940
19 HA ARG 3 HA ARG 3 -5.712 -4.559 -5.453
20 HB2 ARG 3 HB2 ARG 3 -6.864 -5.381 -3.235
21 HB3 ARG 3 HB1 ARG 3 -6.801 -3.622 -2.829
22 HG2 ARG 3 HG2 ARG 3 -7.976 -4.405 -5.509
23 HG3 ARG 3 HG1 ARG 3 -8.951 -4.748 -4.034
24 HD2 ARG 3 HD2 ARG 3 -7.708 -2.066 -3.889
25 HD3 ARG 3 HD1 ARG 3 -8.751 -2.240 -5.377
26 HE ARG 3 HE ARG 3 -10.183 -3.337 -3.135
27 HH11 ARG 3 HH11 ARG 3 -8.910 -0.257 -4.387
28 HH12 ARG 3 HH12 ARG 3 -10.128 0.727 -3.645
29 HH21 ARG 3 HH21 ARG 3 -11.841 -2.001 -2.124
30 HH22 ARG 3 HH22 ARG 3 -11.823 -0.283 -2.336
31 H LEU 4 HN LEU 4 -4.227 -3.016 -2.870
32 HA LEU 4 HA LEU 4 -5.119 -0.439 -3.400
33 HB2 LEU 4 HB2 LEU 4 -2.461 -0.609 -2.342
34 HB3 LEU 4 HB1 LEU 4 -3.904 0.063 -1.573
35 HG LEU 4 HG LEU 4 -3.309 -2.840 -1.739
36 HD11 LEU 4 HD11 LEU 4 -1.719 -2.615 -0.243
37 HD12 LEU 4 HD12 LEU 4 -2.881 -1.842 0.921
38 HD13 LEU 4 HD13 LEU 4 -1.953 -0.826 -0.267
39 HD21 LEU 4 HD21 LEU 4 -5.472 -1.174 -0.439
40 HD22 LEU 4 HD22 LEU 4 -4.931 -2.684 0.395
41 HD23 LEU 4 HD23 LEU 4 -5.582 -2.764 -1.297
42 H SER 5 HN SER 5 -2.452 -2.394 -3.827
43 HA SER 5 HA SER 5 -0.456 -1.181 -4.627
44 HB2 SER 5 HB2 SER 5 0.345 -3.161 -5.073
45 HB3 SER 5 HB1 SER 5 -1.324 -3.678 -4.558
46 HG SER 5 HG SER 5 -0.482 -3.155 -7.250
47 H LYS 6 HN LYS 6 -3.119 -0.653 -6.560
48 HA LYS 6 HA LYS 6 -1.439 0.240 -8.746
49 HB2 LYS 6 HB2 LYS 6 -4.345 1.021 -8.034
50 HB3 LYS 6 HB1 LYS 6 -3.487 1.386 -9.571
51 HG2 LYS 6 HG2 LYS 6 -4.249 -1.432 -8.576
52 HG3 LYS 6 HG1 LYS 6 -5.156 -0.479 -9.799
53 HD2 LYS 6 HD2 LYS 6 -2.206 -1.330 -10.095
54 HD3 LYS 6 HD1 LYS 6 -3.599 -2.249 -10.759
55 HE2 LYS 6 HE2 LYS 6 -4.252 -0.208 -12.127
56 HE3 LYS 6 HE1 LYS 6 -2.768 0.635 -11.514
57 HZ1 LYS 6 HZ1 LYS 6 -3.054 -1.372 -13.534
58 HZ2 LYS 6 HZ2 LYS 6 -1.861 -1.772 -12.393
59 HZ3 LYS 6 HZ3 LYS 6 -1.780 -0.293 -13.224
60 H PHE 7 HN PHE 7 -1.761 0.449 -5.498
61 HA PHE 7 HA PHE 7 -2.139 3.207 -5.002
62 HB2 PHE 7 HB2 PHE 7 -3.147 1.272 -3.941
63 HB3 PHE 7 HB1 PHE 7 -1.635 0.835 -3.191
64 HD1 PHE 7 HD1 PHE 7 -4.577 1.562 -2.445
65 HD2 PHE 7 HD2 PHE 7 -0.791 3.378 -2.371
66 HE1 PHE 7 HE1 PHE 7 -5.005 2.487 -0.282
67 HE2 PHE 7 HE2 PHE 7 -1.052 4.333 -0.391
68 HZ PHE 7 HZ PHE 7 -3.305 3.988 0.857
69 H PHE 8 HN PHE 8 -0.178 0.612 -3.658
70 HA PHE 8 HA PHE 8 1.222 2.683 -2.340
71 HB2 PHE 8 HB2 PHE 8 2.637 0.556 -1.586
72 HB3 PHE 8 HB1 PHE 8 1.096 0.915 -0.768
73 HD1 PHE 8 HD1 PHE 8 3.082 -1.162 -2.263
74 HD2 PHE 8 HD2 PHE 8 -0.878 -0.072 -1.693
75 HE1 PHE 8 HE1 PHE 8 2.473 -3.277 -2.906
76 HE2 PHE 8 HE2 PHE 8 -1.533 -2.244 -2.375
77 HZ PHE 8 HZ PHE 8 0.143 -3.864 -2.937
78 H ARG 9 HN ARG 9 1.144 0.149 -4.373
79 HA ARG 9 HA ARG 9 3.817 0.095 -4.828
80 HB2 ARG 9 HB2 ARG 9 1.319 -1.037 -5.812
81 HB3 ARG 9 HB1 ARG 9 2.607 -0.908 -7.084
82 HG2 ARG 9 HG2 ARG 9 3.191 -2.193 -4.381
83 HG3 ARG 9 HG1 ARG 9 2.326 -3.136 -5.642
84 HD2 ARG 9 HD2 ARG 9 4.995 -1.699 -6.196
85 HD3 ARG 9 HD1 ARG 9 4.915 -3.402 -5.560
86 HE ARG 9 HE ARG 9 3.177 -3.271 -7.816
87 HH11 ARG 9 HH11 ARG 9 6.620 -2.852 -7.010
88 HH12 ARG 9 HH12 ARG 9 7.205 -3.379 -8.552
89 HH21 ARG 9 HH21 ARG 9 3.971 -3.989 -9.914
90 HH22 ARG 9 HH22 ARG 9 5.672 -4.036 -10.232
91 H ASP 10 HN ASP 10 1.460 2.159 -5.042
92 HA ASP 10 HA ASP 10 2.662 3.228 -7.296
93 HB2 ASP 10 HB2 ASP 10 0.492 2.232 -7.480
94 HB3 ASP 10 HB1 ASP 10 -0.078 3.696 -6.598
95 H DPN 11 HN DPN 11 2.302 3.692 -3.999
96 HA DPN 11 HA DPN 11 2.003 6.546 -4.469
97 HB2 DPN 11 HB1 DPN 11 4.514 6.290 -3.245
98 HB3 DPN 11 HB2 DPN 11 4.165 7.005 -4.863
99 HD1 DPN 11 HD1 DPN 11 4.511 5.566 -6.855
100 HD2 DPN 11 HD2 DPN 11 4.931 4.471 -2.880
101 HE1 DPN 11 HE1 DPN 11 4.915 3.214 -7.459
102 HE2 DPN 11 HE2 DPN 11 5.316 2.292 -3.435
103 HZ DPN 11 HZ DPN 11 5.219 1.729 -5.577
104 H ILE 12 HN ILE 12 3.894 4.855 -2.046
105 HA ILE 12 HA ILE 12 3.384 6.741 -0.111
106 HB ILE 12 HB ILE 12 2.489 4.659 1.355
107 HG12 ILE 12 HG12 ILE 12 0.658 3.615 0.068
108 HG13 ILE 12 HG11 ILE 12 1.208 4.512 -1.407
109 HG21 ILE 12 HG21 ILE 12 1.257 6.548 1.885
110 HG22 ILE 12 HG22 ILE 12 0.102 5.954 0.634
111 HG23 ILE 12 HG23 ILE 12 1.347 7.183 0.198
112 HD11 ILE 12 HD11 ILE 12 2.225 2.136 -0.402
113 HD12 ILE 12 HD12 ILE 12 3.415 3.343 -0.070
114 HD13 ILE 12 HD13 ILE 12 2.859 3.147 -1.758
115 H LEU 13 HN LEU 13 4.935 4.310 -1.720
116 HA LEU 13 HA LEU 13 6.635 3.508 0.526
117 HB2 LEU 13 HB2 LEU 13 6.666 2.460 -2.318
118 HB3 LEU 13 HB1 LEU 13 7.197 1.606 -0.824
119 HG LEU 13 HG LEU 13 4.428 2.430 -1.616
120 HD11 LEU 13 HD11 LEU 13 6.069 0.123 -2.283
121 HD12 LEU 13 HD12 LEU 13 4.460 0.628 -2.915
122 HD13 LEU 13 HD13 LEU 13 4.571 -0.393 -1.415
123 HD21 LEU 13 HD21 LEU 13 5.443 0.898 0.852
124 HD22 LEU 13 HD22 LEU 13 3.709 1.177 0.428
125 HD23 LEU 13 HD23 LEU 13 4.792 2.594 0.806
126 H GLN 14 HN GLN 14 6.637 4.431 -2.940
127 HA GLN 14 HA GLN 14 9.468 4.738 -2.998
128 HB2 GLN 14 HB2 GLN 14 7.470 6.322 -4.689
129 HB3 GLN 14 HB1 GLN 14 9.199 6.009 -5.087
130 HG2 GLN 14 HG2 GLN 14 6.866 4.109 -5.025
131 HG3 GLN 14 HG1 GLN 14 7.914 4.507 -6.431
132 HE21 GLN 14 HE21 GLN 14 7.261 2.501 -3.823
133 HE22 GLN 14 HE22 GLN 14 8.713 1.539 -3.795
134 H ARG 15 HN ARG 15 6.791 6.401 -1.769
135 HA ARG 15 HA ARG 15 8.433 8.809 -1.579
136 HB2 ARG 15 HB2 ARG 15 5.656 8.828 -0.444
137 HB3 ARG 15 HB1 ARG 15 6.509 10.109 -1.369
138 HG2 ARG 15 HG2 ARG 15 5.728 9.364 -3.393
139 HG3 ARG 15 HG1 ARG 15 5.827 7.628 -2.918
140 HD2 ARG 15 HD2 ARG 15 3.446 8.297 -3.178
141 HD3 ARG 15 HD1 ARG 15 3.817 7.918 -1.439
142 HE ARG 15 HE ARG 15 3.549 10.240 -0.922
143 HH11 ARG 15 HH11 ARG 15 3.548 9.671 -4.448
144 HH12 ARG 15 HH12 ARG 15 3.006 11.264 -4.857
145 HH21 ARG 15 HH21 ARG 15 2.813 12.399 -1.487
146 HH22 ARG 15 HH22 ARG 15 2.582 12.839 -3.146
147 H LYS 16 HN LYS 16 6.861 6.141 -0.024
148 HA LYS 16 HA LYS 16 7.025 5.206 1.900
149 HB2 LYS 16 HB2 LYS 16 8.857 7.507 2.669
150 HB3 LYS 16 HB1 LYS 16 8.478 6.147 3.764
151 HG2 LYS 16 HG2 LYS 16 9.880 5.914 1.033
152 HG3 LYS 16 HG1 LYS 16 10.700 5.885 2.632
153 HD2 LYS 16 HD2 LYS 16 8.533 3.873 1.761
154 HD3 LYS 16 HD1 LYS 16 10.299 3.598 1.575
155 HE2 LYS 16 HE2 LYS 16 10.572 3.852 4.092
156 HE3 LYS 16 HE1 LYS 16 8.771 4.008 4.235
157 HZ1 LYS 16 HZ1 LYS 16 9.487 1.757 2.663
158 HZ2 LYS 16 HZ2 LYS 16 8.579 1.848 4.095
159 HZ3 LYS 16 HZ3 LYS 16 10.269 1.704 4.168
160 H LYS 17 HN LYS 17 5.367 7.759 1.127
161 HA LYS 17 HA LYS 17 3.712 7.534 3.343
162 HB2 LYS 17 HB2 LYS 17 3.847 10.097 3.966
163 HB3 LYS 17 HB1 LYS 17 5.002 8.956 4.728
164 HG2 LYS 17 HG2 LYS 17 6.521 10.547 4.081
165 HG3 LYS 17 HG1 LYS 17 6.490 9.604 2.557
166 HD2 LYS 17 HD2 LYS 17 4.438 11.308 2.007
167 HD3 LYS 17 HD1 LYS 17 5.331 12.337 3.180
168 HE2 LYS 17 HE2 LYS 17 6.568 11.039 0.659
169 HE3 LYS 17 HE1 LYS 17 6.046 12.770 0.805
170 HZ1 LYS 17 HZ1 LYS 17 8.136 13.043 1.438
171 HZ2 LYS 17 HZ2 LYS 17 8.374 11.413 1.855
172 HZ3 LYS 17 HZ3 LYS 17 7.617 12.469 2.949
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 -2.624 -9.209 -6.128
2 H2 GLU 1 HT2 GLU 1 -1.970 -10.751 -6.409
3 H3 GLU 1 HT3 GLU 1 -0.986 -9.374 -6.550
4 HA GLU 1 HA GLU 1 -1.739 -10.884 -4.243
5 HB2 GLU 1 HB2 GLU 1 0.624 -10.415 -5.154
6 HB3 GLU 1 HB1 GLU 1 0.399 -8.711 -4.621
7 HG2 GLU 1 HG2 GLU 1 0.144 -9.447 -2.249
8 HG3 GLU 1 HG1 GLU 1 0.282 -11.179 -2.755
9 H MET 2 HN MET 2 -1.748 -7.399 -5.211
10 HA MET 2 HA MET 2 -3.326 -6.917 -2.792
11 HB2 MET 2 HB2 MET 2 -0.909 -5.427 -3.791
12 HB3 MET 2 HB1 MET 2 -2.284 -4.434 -3.199
13 HG2 MET 2 HG2 MET 2 -0.341 -6.159 -1.697
14 HG3 MET 2 HG1 MET 2 -1.121 -4.609 -1.259
15 HE1 MET 2 HE1 MET 2 -4.156 -4.829 -0.024
16 HE2 MET 2 HE2 MET 2 -4.766 -5.995 -1.249
17 HE3 MET 2 HE3 MET 2 -3.628 -4.699 -1.736
18 H ARG 3 HN ARG 3 -4.304 -4.599 -3.043
19 HA ARG 3 HA ARG 3 -5.579 -4.643 -5.618
20 HB2 ARG 3 HB2 ARG 3 -6.557 -4.409 -2.813
21 HB3 ARG 3 HB1 ARG 3 -7.529 -3.681 -4.145
22 HG2 ARG 3 HG2 ARG 3 -8.567 -5.781 -3.949
23 HG3 ARG 3 HG1 ARG 3 -7.320 -6.152 -5.195
24 HD2 ARG 3 HD2 ARG 3 -6.635 -7.846 -3.785
25 HD3 ARG 3 HD1 ARG 3 -5.935 -6.521 -2.744
26 HE ARG 3 HE ARG 3 -8.743 -6.812 -2.138
27 HH11 ARG 3 HH11 ARG 3 -5.616 -8.498 -1.869
28 HH12 ARG 3 HH12 ARG 3 -6.021 -9.343 -0.412
29 HH21 ARG 3 HH21 ARG 3 -9.295 -7.963 -0.158
30 HH22 ARG 3 HH22 ARG 3 -8.149 -9.034 0.576
31 H LEU 4 HN LEU 4 -4.114 -3.165 -3.021
32 HA LEU 4 HA LEU 4 -5.110 -0.586 -3.463
33 HB2 LEU 4 HB2 LEU 4 -2.451 -0.709 -2.400
34 HB3 LEU 4 HB1 LEU 4 -3.917 -0.098 -1.617
35 HG LEU 4 HG LEU 4 -3.235 -2.978 -1.861
36 HD11 LEU 4 HD11 LEU 4 -2.854 -2.028 0.827
37 HD12 LEU 4 HD12 LEU 4 -1.941 -0.970 -0.336
38 HD13 LEU 4 HD13 LEU 4 -1.670 -2.755 -0.341
39 HD21 LEU 4 HD21 LEU 4 -5.493 -1.422 -0.623
40 HD22 LEU 4 HD22 LEU 4 -4.880 -2.848 0.303
41 HD23 LEU 4 HD23 LEU 4 -5.483 -3.060 -1.397
42 H SER 5 HN SER 5 -2.399 -2.460 -3.932
43 HA SER 5 HA SER 5 -0.427 -1.194 -4.704
44 HB2 SER 5 HB2 SER 5 0.401 -3.154 -5.190
45 HB3 SER 5 HB1 SER 5 -1.263 -3.709 -4.699
46 HG SER 5 HG SER 5 -0.408 -3.104 -7.371
47 H LYS 6 HN LYS 6 -3.114 -0.687 -6.643
48 HA LYS 6 HA LYS 6 -1.462 0.299 -8.801
49 HB2 LYS 6 HB2 LYS 6 -4.383 0.904 -7.987
50 HB3 LYS 6 HB1 LYS 6 -3.576 1.475 -9.491
51 HG2 LYS 6 HG2 LYS 6 -3.353 -0.858 -10.302
52 HG3 LYS 6 HG1 LYS 6 -4.075 -1.481 -8.776
53 HD2 LYS 6 HD2 LYS 6 -6.184 -0.260 -9.269
54 HD3 LYS 6 HD1 LYS 6 -5.474 0.377 -10.793
55 HE2 LYS 6 HE2 LYS 6 -5.250 -1.969 -11.673
56 HE3 LYS 6 HE1 LYS 6 -5.960 -2.609 -10.132
57 HZ1 LYS 6 HZ1 LYS 6 -7.443 -2.207 -12.163
58 HZ2 LYS 6 HZ2 LYS 6 -7.390 -0.570 -11.716
59 HZ3 LYS 6 HZ3 LYS 6 -7.994 -1.728 -10.630
60 H PHE 7 HN PHE 7 -1.766 0.429 -5.538
61 HA PHE 7 HA PHE 7 -2.193 3.165 -4.977
62 HB2 PHE 7 HB2 PHE 7 -3.164 1.188 -3.965
63 HB3 PHE 7 HB1 PHE 7 -1.643 0.758 -3.228
64 HD1 PHE 7 HD1 PHE 7 -4.599 1.416 -2.465
65 HD2 PHE 7 HD2 PHE 7 -0.842 3.292 -2.339
66 HE1 PHE 7 HE1 PHE 7 -5.039 2.271 -0.274
67 HE2 PHE 7 HE2 PHE 7 -1.117 4.182 -0.333
68 HZ PHE 7 HZ PHE 7 -3.363 3.767 0.907
69 H PHE 8 HN PHE 8 -0.184 0.575 -3.695
70 HA PHE 8 HA PHE 8 1.185 2.644 -2.337
71 HB2 PHE 8 HB2 PHE 8 2.630 0.526 -1.622
72 HB3 PHE 8 HB1 PHE 8 1.082 0.845 -0.798
73 HD1 PHE 8 HD1 PHE 8 3.104 -1.165 -2.341
74 HD2 PHE 8 HD2 PHE 8 -0.875 -0.163 -1.742
75 HE1 PHE 8 HE1 PHE 8 2.534 -3.274 -3.034
76 HE2 PHE 8 HE2 PHE 8 -1.490 -2.331 -2.477
77 HZ PHE 8 HZ PHE 8 0.215 -3.905 -3.080
78 H ARG 9 HN ARG 9 1.143 0.156 -4.428
79 HA ARG 9 HA ARG 9 3.819 0.160 -4.877
80 HB2 ARG 9 HB2 ARG 9 1.344 -0.999 -5.890
81 HB3 ARG 9 HB1 ARG 9 2.633 -0.816 -7.157
82 HG2 ARG 9 HG2 ARG 9 3.231 -2.153 -4.482
83 HG3 ARG 9 HG1 ARG 9 2.391 -3.081 -5.768
84 HD2 ARG 9 HD2 ARG 9 5.035 -1.580 -6.272
85 HD3 ARG 9 HD1 ARG 9 4.984 -3.299 -5.680
86 HE ARG 9 HE ARG 9 3.256 -3.143 -7.943
87 HH11 ARG 9 HH11 ARG 9 6.686 -2.683 -7.104
88 HH12 ARG 9 HH12 ARG 9 7.290 -3.159 -8.655
89 HH21 ARG 9 HH21 ARG 9 4.075 -3.791 -10.054
90 HH22 ARG 9 HH22 ARG 9 5.779 -3.799 -10.362
91 H ASP 10 HN ASP 10 1.426 2.183 -5.042
92 HA ASP 10 HA ASP 10 2.606 3.328 -7.268
93 HB2 ASP 10 HB2 ASP 10 0.452 2.297 -7.474
94 HB3 ASP 10 HB1 ASP 10 -0.142 3.733 -6.564
95 H DPN 11 HN DPN 11 2.242 3.708 -3.964
96 HA DPN 11 HA DPN 11 1.885 6.568 -4.367
97 HB2 DPN 11 HB1 DPN 11 4.402 6.334 -3.146
98 HB3 DPN 11 HB2 DPN 11 4.041 7.078 -4.746
99 HD1 DPN 11 HD1 DPN 11 4.407 5.691 -6.771
100 HD2 DPN 11 HD2 DPN 11 4.861 4.512 -2.821
101 HE1 DPN 11 HE1 DPN 11 4.850 3.362 -7.432
102 HE2 DPN 11 HE2 DPN 11 5.284 2.350 -3.430
103 HZ DPN 11 HZ DPN 11 5.188 1.835 -5.591
104 H ILE 12 HN ILE 12 3.822 4.879 -1.999
105 HA ILE 12 HA ILE 12 3.225 6.683 -0.002
106 HB ILE 12 HB ILE 12 2.406 4.529 1.403
107 HG12 ILE 12 HG12 ILE 12 0.620 3.454 0.083
108 HG13 ILE 12 HG11 ILE 12 1.145 4.409 -1.366
109 HG21 ILE 12 HG21 ILE 12 0.884 6.154 1.977
110 HG22 ILE 12 HG22 ILE 12 0.010 5.843 0.430
111 HG23 ILE 12 HG23 ILE 12 1.311 7.086 0.491
112 HD11 ILE 12 HD11 ILE 12 3.390 3.307 -0.073
113 HD12 ILE 12 HD12 ILE 12 2.821 3.102 -1.746
114 HD13 ILE 12 HD13 ILE 12 2.236 2.044 -0.386
115 H LEU 13 HN LEU 13 4.833 4.280 -1.656
116 HA LEU 13 HA LEU 13 6.592 3.507 0.551
117 HB2 LEU 13 HB2 LEU 13 6.629 2.500 -2.307
118 HB3 LEU 13 HB1 LEU 13 7.178 1.636 -0.824
119 HG LEU 13 HG LEU 13 4.401 2.427 -1.598
120 HD11 LEU 13 HD11 LEU 13 4.556 -0.385 -1.455
121 HD12 LEU 13 HD12 LEU 13 6.073 0.143 -2.287
122 HD13 LEU 13 HD13 LEU 13 4.472 0.658 -2.938
123 HD21 LEU 13 HD21 LEU 13 5.456 0.885 0.849
124 HD22 LEU 13 HD22 LEU 13 3.713 1.130 0.440
125 HD23 LEU 13 HD23 LEU 13 4.766 2.569 0.828
126 H GLN 14 HN GLN 14 6.565 4.482 -2.912
127 HA GLN 14 HA GLN 14 9.397 4.776 -2.974
128 HB2 GLN 14 HB2 GLN 14 7.411 6.407 -4.636
129 HB3 GLN 14 HB1 GLN 14 9.137 6.089 -5.039
130 HG2 GLN 14 HG2 GLN 14 6.796 4.201 -5.006
131 HG3 GLN 14 HG1 GLN 14 7.835 4.624 -6.410
132 HE21 GLN 14 HE21 GLN 14 7.203 2.571 -3.830
133 HE22 GLN 14 HE22 GLN 14 8.652 1.604 -3.836
134 H ARG 15 HN ARG 15 6.738 6.425 -1.717
135 HA ARG 15 HA ARG 15 8.360 8.838 -1.511
136 HB2 ARG 15 HB2 ARG 15 5.628 8.779 -0.233
137 HB3 ARG 15 HB1 ARG 15 6.422 10.098 -1.161
138 HG2 ARG 15 HG2 ARG 15 5.572 9.387 -3.172
139 HG3 ARG 15 HG1 ARG 15 5.692 7.643 -2.729
140 HD2 ARG 15 HD2 ARG 15 3.292 8.420 -2.900
141 HD3 ARG 15 HD1 ARG 15 3.737 7.834 -1.239
142 HE ARG 15 HE ARG 15 3.489 10.057 -0.425
143 HH11 ARG 15 HH11 ARG 15 3.496 9.975 -3.996
144 HH12 ARG 15 HH12 ARG 15 3.053 11.638 -4.187
145 HH21 ARG 15 HH21 ARG 15 2.895 12.321 -0.696
146 HH22 ARG 15 HH22 ARG 15 2.706 12.991 -2.282
147 H LYS 16 HN LYS 16 6.899 6.094 0.076
148 HA LYS 16 HA LYS 16 6.950 5.247 2.089
149 HB2 LYS 16 HB2 LYS 16 9.287 7.182 2.311
150 HB3 LYS 16 HB1 LYS 16 8.723 6.314 3.769
151 HG2 LYS 16 HG2 LYS 16 10.118 4.632 3.184
152 HG3 LYS 16 HG1 LYS 16 8.984 4.273 1.835
153 HD2 LYS 16 HD2 LYS 16 10.238 5.803 0.333
154 HD3 LYS 16 HD1 LYS 16 11.345 6.249 1.677
155 HE2 LYS 16 HE2 LYS 16 11.030 3.329 0.728
156 HE3 LYS 16 HE1 LYS 16 12.230 4.474 -0.006
157 HZ1 LYS 16 HZ1 LYS 16 13.547 4.156 1.695
158 HZ2 LYS 16 HZ2 LYS 16 12.490 2.968 2.293
159 HZ3 LYS 16 HZ3 LYS 16 12.347 4.576 2.820
160 H LYS 17 HN LYS 17 5.495 7.646 1.230
161 HA LYS 17 HA LYS 17 4.203 9.236 1.939
162 HB2 LYS 17 HB2 LYS 17 4.070 7.223 4.094
163 HB3 LYS 17 HB1 LYS 17 3.789 8.883 4.733
164 HG2 LYS 17 HG2 LYS 17 2.299 7.496 2.444
165 HG3 LYS 17 HG1 LYS 17 1.646 7.906 4.069
166 HD2 LYS 17 HD2 LYS 17 1.030 9.962 3.328
167 HD3 LYS 17 HD1 LYS 17 2.728 10.331 2.870
168 HE2 LYS 17 HE2 LYS 17 2.386 9.216 0.649
169 HE3 LYS 17 HE1 LYS 17 0.657 8.875 1.102
170 HZ1 LYS 17 HZ1 LYS 17 1.676 11.624 1.302
171 HZ2 LYS 17 HZ2 LYS 17 0.113 11.051 0.962
172 HZ3 LYS 17 HZ3 LYS 17 1.321 10.981 -0.230
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 0.818 -10.479 -4.864
2 H2 GLU 1 HT2 GLU 1 0.496 -9.624 -3.431
3 H3 GLU 1 HT3 GLU 1 0.810 -8.780 -4.871
4 HA GLU 1 HA GLU 1 -1.193 -9.326 -5.810
5 HB2 GLU 1 HB2 GLU 1 -1.062 -11.772 -5.198
6 HB3 GLU 1 HB1 GLU 1 -1.549 -11.346 -3.519
7 HG2 GLU 1 HG2 GLU 1 -3.758 -10.500 -4.343
8 HG3 GLU 1 HG1 GLU 1 -3.274 -10.865 -6.046
9 H MET 2 HN MET 2 -1.861 -7.209 -5.332
10 HA MET 2 HA MET 2 -3.350 -6.994 -2.845
11 HB2 MET 2 HB2 MET 2 -0.988 -5.350 -3.628
12 HB3 MET 2 HB1 MET 2 -2.424 -4.405 -3.110
13 HG2 MET 2 HG2 MET 2 -0.562 -6.157 -1.526
14 HG3 MET 2 HG1 MET 2 -1.366 -4.614 -1.104
15 HE1 MET 2 HE1 MET 2 -3.796 -4.610 -1.642
16 HE2 MET 2 HE2 MET 2 -4.595 -4.984 -0.078
17 HE3 MET 2 HE3 MET 2 -4.939 -5.988 -1.532
18 H ARG 3 HN ARG 3 -4.379 -4.565 -3.011
19 HA ARG 3 HA ARG 3 -5.709 -4.626 -5.531
20 HB2 ARG 3 HB2 ARG 3 -6.866 -5.478 -3.328
21 HB3 ARG 3 HB1 ARG 3 -6.818 -3.721 -2.904
22 HG2 ARG 3 HG2 ARG 3 -7.975 -4.485 -5.597
23 HG3 ARG 3 HG1 ARG 3 -8.954 -4.852 -4.131
24 HD2 ARG 3 HD2 ARG 3 -7.730 -2.161 -3.958
25 HD3 ARG 3 HD1 ARG 3 -8.771 -2.330 -5.446
26 HE ARG 3 HE ARG 3 -10.197 -3.458 -3.217
27 HH11 ARG 3 HH11 ARG 3 -8.940 -0.357 -4.431
28 HH12 ARG 3 HH12 ARG 3 -10.161 0.613 -3.676
29 HH21 ARG 3 HH21 ARG 3 -11.861 -2.144 -2.189
30 HH22 ARG 3 HH22 ARG 3 -11.851 -0.423 -2.379
31 H LEU 4 HN LEU 4 -4.252 -3.094 -2.926
32 HA LEU 4 HA LEU 4 -5.162 -0.520 -3.442
33 HB2 LEU 4 HB2 LEU 4 -2.513 -0.675 -2.363
34 HB3 LEU 4 HB1 LEU 4 -3.968 -0.023 -1.600
35 HG LEU 4 HG LEU 4 -3.345 -2.919 -1.785
36 HD11 LEU 4 HD11 LEU 4 -2.947 -1.932 0.886
37 HD12 LEU 4 HD12 LEU 4 -2.015 -0.905 -0.291
38 HD13 LEU 4 HD13 LEU 4 -1.772 -2.694 -0.269
39 HD21 LEU 4 HD21 LEU 4 -4.986 -2.797 0.335
40 HD22 LEU 4 HD22 LEU 4 -5.622 -2.866 -1.361
41 HD23 LEU 4 HD23 LEU 4 -5.533 -1.283 -0.486
42 H SER 5 HN SER 5 -2.475 -2.451 -3.861
43 HA SER 5 HA SER 5 -0.483 -1.215 -4.637
44 HB2 SER 5 HB2 SER 5 0.337 -3.187 -5.085
45 HB3 SER 5 HB1 SER 5 -1.332 -3.720 -4.595
46 HG SER 5 HG SER 5 -0.473 -3.162 -7.274
47 H LYS 6 HN LYS 6 -3.137 -0.698 -6.587
48 HA LYS 6 HA LYS 6 -1.448 0.225 -8.754
49 HB2 LYS 6 HB2 LYS 6 -4.364 0.980 -8.060
50 HB3 LYS 6 HB1 LYS 6 -3.496 1.360 -9.589
51 HG2 LYS 6 HG2 LYS 6 -4.237 -1.472 -8.619
52 HG3 LYS 6 HG1 LYS 6 -5.151 -0.517 -9.836
53 HD2 LYS 6 HD2 LYS 6 -3.098 -0.454 -11.297
54 HD3 LYS 6 HD1 LYS 6 -2.224 -1.456 -10.087
55 HE2 LYS 6 HE2 LYS 6 -3.889 -3.313 -10.418
56 HE3 LYS 6 HE1 LYS 6 -4.760 -2.303 -11.645
57 HZ1 LYS 6 HZ1 LYS 6 -3.366 -3.080 -13.119
58 HZ2 LYS 6 HZ2 LYS 6 -2.467 -3.913 -11.943
59 HZ3 LYS 6 HZ3 LYS 6 -2.073 -2.308 -12.335
60 H PHE 7 HN PHE 7 -1.793 0.409 -5.508
61 HA PHE 7 HA PHE 7 -2.196 3.162 -4.997
62 HB2 PHE 7 HB2 PHE 7 -3.196 1.212 -3.956
63 HB3 PHE 7 HB1 PHE 7 -1.686 0.778 -3.201
64 HD1 PHE 7 HD1 PHE 7 -4.638 1.480 -2.465
65 HD2 PHE 7 HD2 PHE 7 -0.864 3.322 -2.354
66 HE1 PHE 7 HE1 PHE 7 -5.083 2.380 -0.295
67 HE2 PHE 7 HE2 PHE 7 -1.141 4.252 -0.366
68 HZ PHE 7 HZ PHE 7 -3.398 3.881 0.867
69 H PHE 8 HN PHE 8 -0.226 0.571 -3.655
70 HA PHE 8 HA PHE 8 1.157 2.647 -2.322
71 HB2 PHE 8 HB2 PHE 8 2.573 0.526 -1.561
72 HB3 PHE 8 HB1 PHE 8 1.023 0.876 -0.754
73 HD1 PHE 8 HD1 PHE 8 3.033 -1.184 -2.239
74 HD2 PHE 8 HD2 PHE 8 -0.939 -0.127 -1.701
75 HE1 PHE 8 HE1 PHE 8 2.448 -3.298 -2.897
76 HE2 PHE 8 HE2 PHE 8 -1.572 -2.302 -2.401
77 HZ PHE 8 HZ PHE 8 0.124 -3.905 -2.954
78 H ARG 9 HN ARG 9 1.101 0.121 -4.368
79 HA ARG 9 HA ARG 9 3.781 0.087 -4.796
80 HB2 ARG 9 HB2 ARG 9 1.300 -1.061 -5.809
81 HB3 ARG 9 HB1 ARG 9 2.600 -0.916 -7.068
82 HG2 ARG 9 HG2 ARG 9 3.164 -2.210 -4.364
83 HG3 ARG 9 HG1 ARG 9 2.321 -3.153 -5.639
84 HD2 ARG 9 HD2 ARG 9 4.987 -1.693 -6.151
85 HD3 ARG 9 HD1 ARG 9 4.909 -3.402 -5.531
86 HE ARG 9 HE ARG 9 3.199 -3.264 -7.806
87 HH11 ARG 9 HH11 ARG 9 6.629 -2.825 -6.955
88 HH12 ARG 9 HH12 ARG 9 7.237 -3.333 -8.496
89 HH21 ARG 9 HH21 ARG 9 4.023 -3.955 -9.902
90 HH22 ARG 9 HH22 ARG 9 5.728 -3.986 -10.200
91 H ASP 10 HN ASP 10 1.413 2.136 -5.017
92 HA ASP 10 HA ASP 10 2.626 3.224 -7.255
93 HB2 ASP 10 HB2 ASP 10 0.461 2.214 -7.459
94 HB3 ASP 10 HB1 ASP 10 -0.124 3.674 -6.582
95 H DPN 11 HN DPN 11 2.238 3.670 -3.961
96 HA DPN 11 HA DPN 11 1.919 6.525 -4.420
97 HB2 DPN 11 HB1 DPN 11 4.423 6.286 -3.176
98 HB3 DPN 11 HB2 DPN 11 4.083 7.002 -4.792
99 HD1 DPN 11 HD1 DPN 11 4.449 5.572 -6.786
100 HD2 DPN 11 HD2 DPN 11 4.858 4.466 -2.811
101 HE1 DPN 11 HE1 DPN 11 4.871 3.226 -7.399
102 HE2 DPN 11 HE2 DPN 11 5.260 2.287 -3.375
103 HZ DPN 11 HZ DPN 11 5.176 1.732 -5.527
104 H ILE 12 HN ILE 12 3.819 4.859 -2.005
105 HA ILE 12 HA ILE 12 3.229 6.706 -0.048
106 HB ILE 12 HB ILE 12 2.367 4.592 1.391
107 HG12 ILE 12 HG12 ILE 12 0.581 3.513 0.077
108 HG13 ILE 12 HG11 ILE 12 1.127 4.434 -1.387
109 HG21 ILE 12 HG21 ILE 12 0.845 6.230 1.921
110 HG22 ILE 12 HG22 ILE 12 0.005 5.933 0.352
111 HG23 ILE 12 HG23 ILE 12 1.326 7.151 0.446
112 HD11 ILE 12 HD11 ILE 12 2.192 2.077 -0.372
113 HD12 ILE 12 HD12 ILE 12 3.347 3.323 -0.039
114 HD13 ILE 12 HD13 ILE 12 2.799 3.105 -1.727
115 H LEU 13 HN LEU 13 4.820 4.255 -1.644
116 HA LEU 13 HA LEU 13 6.547 3.497 0.596
117 HB2 LEU 13 HB2 LEU 13 6.598 2.440 -2.244
118 HB3 LEU 13 HB1 LEU 13 7.124 1.597 -0.741
119 HG LEU 13 HG LEU 13 4.363 2.404 -1.555
120 HD11 LEU 13 HD11 LEU 13 4.422 0.613 -2.862
121 HD12 LEU 13 HD12 LEU 13 4.494 -0.409 -1.360
122 HD13 LEU 13 HD13 LEU 13 6.014 0.095 -2.197
123 HD21 LEU 13 HD21 LEU 13 3.640 1.153 0.497
124 HD22 LEU 13 HD22 LEU 13 4.710 2.581 0.871
125 HD23 LEU 13 HD23 LEU 13 5.378 0.888 0.924
126 H GLN 14 HN GLN 14 6.569 4.404 -2.886
127 HA GLN 14 HA GLN 14 9.403 4.661 -2.930
128 HB2 GLN 14 HB2 GLN 14 7.452 6.291 -4.634
129 HB3 GLN 14 HB1 GLN 14 9.176 5.943 -5.019
130 HG2 GLN 14 HG2 GLN 14 6.809 4.090 -4.973
131 HG3 GLN 14 HG1 GLN 14 7.866 4.473 -6.375
132 HE21 GLN 14 HE21 GLN 14 7.179 2.471 -3.769
133 HE22 GLN 14 HE22 GLN 14 8.615 1.485 -3.745
134 H ARG 15 HN ARG 15 6.759 6.367 -1.725
135 HA ARG 15 HA ARG 15 8.414 8.759 -1.539
136 HB2 ARG 15 HB2 ARG 15 5.666 8.762 -0.297
137 HB3 ARG 15 HB1 ARG 15 6.491 10.056 -1.235
138 HG2 ARG 15 HG2 ARG 15 5.649 9.330 -3.243
139 HG3 ARG 15 HG1 ARG 15 5.749 7.590 -2.780
140 HD2 ARG 15 HD2 ARG 15 3.358 8.392 -2.989
141 HD3 ARG 15 HD1 ARG 15 3.776 7.805 -1.323
142 HE ARG 15 HE ARG 15 3.533 10.028 -0.514
143 HH11 ARG 15 HH11 ARG 15 3.611 9.954 -4.085
144 HH12 ARG 15 HH12 ARG 15 3.146 11.611 -4.279
145 HH21 ARG 15 HH21 ARG 15 2.901 12.276 -0.790
146 HH22 ARG 15 HH22 ARG 15 2.737 12.951 -2.376
147 H LYS 16 HN LYS 16 6.884 6.065 0.076
148 HA LYS 16 HA LYS 16 6.888 5.258 2.104
149 HB2 LYS 16 HB2 LYS 16 9.288 7.107 2.277
150 HB3 LYS 16 HB1 LYS 16 8.673 6.357 3.780
151 HG2 LYS 16 HG2 LYS 16 9.990 4.577 3.308
152 HG3 LYS 16 HG1 LYS 16 8.839 4.191 1.982
153 HD2 LYS 16 HD2 LYS 16 10.897 4.250 0.849
154 HD3 LYS 16 HD1 LYS 16 10.246 5.901 0.556
155 HE2 LYS 16 HE2 LYS 16 11.689 6.829 2.364
156 HE3 LYS 16 HE1 LYS 16 12.289 5.166 2.768
157 HZ1 LYS 16 HZ1 LYS 16 13.533 6.794 1.136
158 HZ2 LYS 16 HZ2 LYS 16 12.519 6.052 -0.007
159 HZ3 LYS 16 HZ3 LYS 16 13.563 5.108 0.945
160 H LYS 17 HN LYS 17 5.502 7.670 1.182
161 HA LYS 17 HA LYS 17 4.258 9.320 1.834
162 HB2 LYS 17 HB2 LYS 17 3.947 7.297 3.948
163 HB3 LYS 17 HB1 LYS 17 3.728 8.955 4.617
164 HG2 LYS 17 HG2 LYS 17 2.247 7.690 2.255
165 HG3 LYS 17 HG1 LYS 17 1.561 8.117 3.860
166 HD2 LYS 17 HD2 LYS 17 1.068 10.199 3.100
167 HD3 LYS 17 HD1 LYS 17 2.807 10.498 2.762
168 HE2 LYS 17 HE2 LYS 17 1.855 10.828 0.632
169 HE3 LYS 17 HE1 LYS 17 2.325 9.078 0.537
170 HZ1 LYS 17 HZ1 LYS 17 -0.089 8.850 1.556
171 HZ2 LYS 17 HZ2 LYS 17 0.198 8.956 -0.115
172 HZ3 LYS 17 HZ3 LYS 17 -0.312 10.326 0.747