Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
642366 | 6csz RC | 30440 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H2 PRO 1 HT1 PRO 1 -12.591 3.701 3.665
2 H3 PRO 1 HT2 PRO 1 -12.102 4.850 2.623
3 HA PRO 1 HA PRO 1 -13.929 3.610 1.724
4 HB2 PRO 1 HB2 PRO 1 -12.361 2.161 -0.018
5 HB3 PRO 1 HB1 PRO 1 -12.715 3.888 -0.195
6 HG2 PRO 1 HG2 PRO 1 -10.311 2.554 0.985
7 HG3 PRO 1 HG1 PRO 1 -10.396 3.992 -0.049
8 HD2 PRO 1 HD2 PRO 1 -9.975 4.271 2.541
9 HD3 PRO 1 HD1 PRO 1 -11.032 5.362 1.664
10 H MET 2 HN MET 2 -14.966 1.582 1.500
11 HA MET 2 HA MET 2 -14.234 -0.388 3.415
12 HB2 MET 2 HB2 MET 2 -16.089 -1.738 2.561
13 HB3 MET 2 HB1 MET 2 -16.583 -0.074 2.819
14 HG2 MET 2 HG2 MET 2 -16.512 0.352 0.444
15 HG3 MET 2 HG1 MET 2 -15.874 -1.263 0.139
16 HE1 MET 2 HE1 MET 2 -18.627 -0.310 2.771
17 HE2 MET 2 HE2 MET 2 -20.100 -0.478 1.829
18 HE3 MET 2 HE3 MET 2 -18.955 0.813 1.448
19 H ALA 3 HN ALA 3 -13.670 0.012 0.038
20 HA ALA 3 HA ALA 3 -12.718 -2.606 -0.454
21 HB1 ALA 3 HB1 ALA 3 -12.211 -0.027 -1.943
22 HB2 ALA 3 HB2 ALA 3 -13.528 -1.156 -2.260
23 HB3 ALA 3 HB3 ALA 3 -11.856 -1.648 -2.538
24 H LYS 4 HN LYS 4 -10.724 -3.362 -0.276
25 HA LYS 4 HA LYS 4 -8.969 -1.891 1.444
26 HB2 LYS 4 HB2 LYS 4 -8.793 -4.731 0.426
27 HB3 LYS 4 HB1 LYS 4 -7.577 -4.000 1.457
28 HG2 LYS 4 HG2 LYS 4 -8.963 -5.270 2.893
29 HG3 LYS 4 HG1 LYS 4 -9.426 -3.589 3.137
30 HD2 LYS 4 HD2 LYS 4 -11.329 -3.944 1.576
31 HD3 LYS 4 HD1 LYS 4 -10.886 -5.645 1.478
32 HE2 LYS 4 HE2 LYS 4 -12.665 -5.445 3.059
33 HE3 LYS 4 HE1 LYS 4 -11.188 -5.783 3.951
34 HZ1 LYS 4 HZ1 LYS 4 -11.024 -3.455 4.548
35 HZ2 LYS 4 HZ2 LYS 4 -12.550 -4.039 4.974
36 HZ3 LYS 4 HZ3 LYS 4 -12.375 -3.089 3.600
37 H LEU 5 HN LEU 5 -9.325 -2.019 -1.763
38 HA LEU 5 HA LEU 5 -6.808 -2.286 -2.866
39 HB2 LEU 5 HB2 LEU 5 -9.129 -0.602 -3.779
40 HB3 LEU 5 HB1 LEU 5 -7.634 -0.671 -4.680
41 HG LEU 5 HG LEU 5 -7.971 -3.136 -4.962
42 HD11 LEU 5 HD11 LEU 5 -10.134 -4.113 -4.556
43 HD12 LEU 5 HD12 LEU 5 -10.694 -2.619 -3.815
44 HD13 LEU 5 HD13 LEU 5 -9.412 -3.561 -3.042
45 HD21 LEU 5 HD21 LEU 5 -10.181 -1.366 -5.978
46 HD22 LEU 5 HD22 LEU 5 -9.759 -2.949 -6.622
47 HD23 LEU 5 HD23 LEU 5 -8.605 -1.621 -6.731
48 H LEU 6 HN LEU 6 -8.246 0.821 -1.770
49 HA LEU 6 HA LEU 6 -5.944 2.291 -2.382
50 HB2 LEU 6 HB2 LEU 6 -8.069 3.407 -2.051
51 HB3 LEU 6 HB1 LEU 6 -8.110 2.966 -0.361
52 HG LEU 6 HG LEU 6 -6.089 4.405 -0.024
53 HD11 LEU 6 HD11 LEU 6 -5.529 6.036 -1.757
54 HD12 LEU 6 HD12 LEU 6 -6.650 5.243 -2.863
55 HD13 LEU 6 HD13 LEU 6 -5.220 4.383 -2.289
56 HD21 LEU 6 HD21 LEU 6 -7.313 6.521 -0.146
57 HD22 LEU 6 HD22 LEU 6 -8.329 5.226 0.488
58 HD23 LEU 6 HD23 LEU 6 -8.521 5.762 -1.182
59 HA PRO 7 HA PRO 7 -4.450 1.576 2.313
60 HB2 PRO 7 HB2 PRO 7 -5.729 -1.124 2.516
61 HB3 PRO 7 HB1 PRO 7 -5.342 0.027 3.801
62 HG2 PRO 7 HG2 PRO 7 -7.839 -0.230 2.973
63 HG3 PRO 7 HG1 PRO 7 -7.175 1.376 3.323
64 HD2 PRO 7 HD2 PRO 7 -7.711 0.083 0.688
65 HD3 PRO 7 HD1 PRO 7 -7.863 1.784 1.181
66 H ARG 8 HN ARG 8 -5.098 -1.093 0.058
67 HA ARG 8 HA ARG 8 -2.629 -2.426 0.372
68 HB2 ARG 8 HB2 ARG 8 -4.645 -2.396 -1.848
69 HB3 ARG 8 HB1 ARG 8 -3.149 -3.301 -1.991
70 HG2 ARG 8 HG2 ARG 8 -3.732 -4.683 -0.132
71 HG3 ARG 8 HG1 ARG 8 -5.137 -3.680 0.236
72 HD2 ARG 8 HD2 ARG 8 -5.678 -5.800 -0.967
73 HD3 ARG 8 HD1 ARG 8 -6.226 -4.341 -1.787
74 HE ARG 8 HE ARG 8 -3.671 -5.049 -2.696
75 HH11 ARG 8 HH11 ARG 8 -7.017 -6.205 -2.927
76 HH12 ARG 8 HH12 ARG 8 -6.846 -6.834 -4.491
77 HH21 ARG 8 HH21 ARG 8 -3.443 -5.887 -4.873
78 HH22 ARG 8 HH22 ARG 8 -4.753 -6.676 -5.626
79 H ILE 9 HN ILE 9 -3.672 0.065 -1.889
80 HA ILE 9 HA ILE 9 -1.319 0.280 -3.362
81 HB ILE 9 HB ILE 9 -3.314 2.462 -2.644
82 HG12 ILE 9 HG12 ILE 9 -3.018 0.809 -5.167
83 HG13 ILE 9 HG11 ILE 9 -4.240 0.556 -3.927
84 HG21 ILE 9 HG21 ILE 9 -1.195 3.470 -3.290
85 HG22 ILE 9 HG22 ILE 9 -2.402 3.720 -4.552
86 HG23 ILE 9 HG23 ILE 9 -1.155 2.489 -4.755
87 HD11 ILE 9 HD11 ILE 9 -5.183 2.764 -4.425
88 HD12 ILE 9 HD12 ILE 9 -5.159 1.722 -5.846
89 HD13 ILE 9 HD13 ILE 9 -3.955 2.999 -5.668
90 H LYS 10 HN LYS 10 -2.281 1.907 -0.368
91 HA LYS 10 HA LYS 10 0.051 3.446 -0.004
92 HB2 LYS 10 HB2 LYS 10 -1.876 2.319 2.027
93 HB3 LYS 10 HB1 LYS 10 -0.544 3.371 2.465
94 HG2 LYS 10 HG2 LYS 10 -2.810 4.097 0.611
95 HG3 LYS 10 HG1 LYS 10 -2.661 4.583 2.302
96 HD2 LYS 10 HD2 LYS 10 -0.491 5.692 1.714
97 HD3 LYS 10 HD1 LYS 10 -0.825 5.326 0.025
98 HE2 LYS 10 HE2 LYS 10 -2.543 7.016 1.831
99 HE3 LYS 10 HE1 LYS 10 -1.437 7.622 0.606
100 HZ1 LYS 10 HZ1 LYS 10 -2.801 6.441 -1.070
101 HZ2 LYS 10 HZ2 LYS 10 -3.629 7.633 -0.241
102 HZ3 LYS 10 HZ3 LYS 10 -3.899 6.023 0.161
103 H LYS 11 HN LYS 11 -0.696 0.189 1.038
104 HA LYS 11 HA LYS 11 1.679 -0.329 2.446
105 HB2 LYS 11 HB2 LYS 11 -0.314 -1.708 2.654
106 HB3 LYS 11 HB1 LYS 11 -0.181 -2.195 0.974
107 HG2 LYS 11 HG2 LYS 11 1.882 -3.383 1.472
108 HG3 LYS 11 HG1 LYS 11 1.785 -2.864 3.158
109 HD2 LYS 11 HD2 LYS 11 -0.316 -4.037 3.422
110 HD3 LYS 11 HD1 LYS 11 -0.294 -4.507 1.725
111 HE2 LYS 11 HE2 LYS 11 1.755 -5.780 2.117
112 HE3 LYS 11 HE1 LYS 11 1.725 -5.321 3.816
113 HZ1 LYS 11 HZ1 LYS 11 -0.454 -6.446 3.982
114 HZ2 LYS 11 HZ2 LYS 11 0.787 -7.490 3.558
115 HZ3 LYS 11 HZ3 LYS 11 -0.288 -6.967 2.388
116 H LYS 12 HN LYS 12 0.805 -0.739 -0.940
117 HA LYS 12 HA LYS 12 3.250 -1.924 -1.748
118 HB2 LYS 12 HB2 LYS 12 1.195 -0.412 -3.360
119 HB3 LYS 12 HB1 LYS 12 2.546 -1.283 -4.058
120 HG2 LYS 12 HG2 LYS 12 0.302 -2.488 -2.447
121 HG3 LYS 12 HG1 LYS 12 0.471 -2.560 -4.197
122 HD2 LYS 12 HD2 LYS 12 2.340 -3.800 -2.157
123 HD3 LYS 12 HD1 LYS 12 1.186 -4.656 -3.171
124 HE2 LYS 12 HE2 LYS 12 2.420 -3.857 -5.176
125 HE3 LYS 12 HE1 LYS 12 3.606 -3.114 -4.106
126 HZ1 LYS 12 HZ1 LYS 12 4.425 -5.205 -4.805
127 HZ2 LYS 12 HZ2 LYS 12 2.997 -5.991 -4.373
128 HZ3 LYS 12 HZ3 LYS 12 4.010 -5.365 -3.175
129 H ILE 13 HN ILE 13 2.163 1.382 -1.491
130 HA ILE 13 HA ILE 13 4.393 2.581 -2.751
131 HB ILE 13 HB ILE 13 2.567 3.710 -0.593
132 HG12 ILE 13 HG12 ILE 13 2.545 4.137 -3.589
133 HG13 ILE 13 HG11 ILE 13 1.451 3.070 -2.716
134 HG21 ILE 13 HG21 ILE 13 3.363 5.919 -1.277
135 HG22 ILE 13 HG22 ILE 13 4.484 5.167 -2.411
136 HG23 ILE 13 HG23 ILE 13 4.687 4.918 -0.675
137 HD11 ILE 13 HD11 ILE 13 0.392 5.179 -3.267
138 HD12 ILE 13 HD12 ILE 13 1.656 6.050 -2.396
139 HD13 ILE 13 HD13 ILE 13 0.549 4.995 -1.520
140 H LEU 14 HN LEU 14 3.739 1.700 0.600
141 HA LEU 14 HA LEU 14 6.238 2.594 1.599
142 HB2 LEU 14 HB2 LEU 14 4.353 0.509 2.688
143 HB3 LEU 14 HB1 LEU 14 5.744 1.129 3.550
144 HG LEU 14 HG LEU 14 3.325 2.731 2.723
145 HD11 LEU 14 HD11 LEU 14 2.889 2.852 5.116
146 HD12 LEU 14 HD12 LEU 14 4.263 1.790 5.421
147 HD13 LEU 14 HD13 LEU 14 2.862 1.187 4.535
148 HD21 LEU 14 HD21 LEU 14 5.333 4.116 2.696
149 HD22 LEU 14 HD22 LEU 14 5.772 3.534 4.300
150 HD23 LEU 14 HD23 LEU 14 4.327 4.519 4.086
151 H ALA 15 HN ALA 15 5.193 -0.339 0.093
152 HA ALA 15 HA ALA 15 7.495 -1.897 0.658
153 HB1 ALA 15 HB1 ALA 15 5.552 -2.117 -1.639
154 HB2 ALA 15 HB2 ALA 15 5.358 -2.878 -0.063
155 HB3 ALA 15 HB3 ALA 15 6.689 -3.361 -1.120
156 H ALA 16 HN ALA 16 6.561 0.243 -1.976
157 HA ALA 16 HA ALA 16 8.881 -0.178 -3.554
158 HB1 ALA 16 HB1 ALA 16 6.807 0.718 -4.499
159 HB2 ALA 16 HB2 ALA 16 8.156 1.821 -4.783
160 HB3 ALA 16 HB3 ALA 16 6.981 2.172 -3.516
161 H ALA 17 HN ALA 17 8.119 1.813 -0.861
162 HA ALA 17 HA ALA 17 10.338 3.584 -1.056
163 HB1 ALA 17 HB1 ALA 17 8.679 2.854 1.357
164 HB2 ALA 17 HB2 ALA 17 8.320 4.154 0.222
165 HB3 ALA 17 HB3 ALA 17 9.768 4.234 1.227
166 H PHE 18 HN PHE 18 9.877 0.395 0.157
167 HA PHE 18 HA PHE 18 12.254 0.345 1.757
168 HB2 PHE 18 HB2 PHE 18 10.275 -1.094 2.253
169 HB3 PHE 18 HB1 PHE 18 10.516 -1.926 0.728
170 HD1 PHE 18 HD1 PHE 18 11.988 -3.769 0.589
171 HD2 PHE 18 HD2 PHE 18 12.035 -1.281 4.040
172 HE1 PHE 18 HE1 PHE 18 13.438 -5.394 1.738
173 HE2 PHE 18 HE2 PHE 18 13.482 -2.901 5.192
174 HZ PHE 18 HZ PHE 18 14.188 -4.956 4.045
175 H LYS 19 HN LYS 19 14.002 0.821 0.531
176 HA LYS 19 HA LYS 19 14.449 -0.738 -1.917
177 HB2 LYS 19 HB2 LYS 19 15.624 1.952 -1.211
178 HB3 LYS 19 HB1 LYS 19 15.764 1.103 -2.741
179 HG2 LYS 19 HG2 LYS 19 13.363 1.403 -3.114
180 HG3 LYS 19 HG1 LYS 19 13.243 2.269 -1.579
181 HD2 LYS 19 HD2 LYS 19 14.931 3.883 -2.461
182 HD3 LYS 19 HD1 LYS 19 14.812 3.069 -4.018
183 HE2 LYS 19 HE2 LYS 19 12.574 4.449 -2.543
184 HE3 LYS 19 HE1 LYS 19 13.407 5.062 -3.966
185 HZ1 LYS 19 HZ1 LYS 19 11.333 4.118 -4.593
186 HZ2 LYS 19 HZ2 LYS 19 11.640 2.680 -3.800
187 HZ3 LYS 19 HZ3 LYS 19 12.534 3.083 -5.179
Start of MODEL 2
1 H2 PRO 1 HT1 PRO 1 -19.539 -0.014 1.675
2 H3 PRO 1 HT2 PRO 1 -20.287 -1.435 1.374
3 HA PRO 1 HA PRO 1 -18.556 -1.627 3.056
4 HB2 PRO 1 HB2 PRO 1 -16.858 -2.993 1.405
5 HB3 PRO 1 HB1 PRO 1 -18.380 -3.662 2.022
6 HG2 PRO 1 HG2 PRO 1 -17.795 -2.426 -0.635
7 HG3 PRO 1 HG1 PRO 1 -18.817 -3.820 -0.252
8 HD2 PRO 1 HD2 PRO 1 -19.914 -1.455 -0.818
9 HD3 PRO 1 HD1 PRO 1 -20.589 -2.535 0.376
10 H MET 2 HN MET 2 -15.964 -1.632 3.151
11 HA MET 2 HA MET 2 -15.288 1.005 2.156
12 HB2 MET 2 HB2 MET 2 -13.441 1.038 3.761
13 HB3 MET 2 HB1 MET 2 -14.937 0.634 4.563
14 HG2 MET 2 HG2 MET 2 -13.363 -0.753 5.555
15 HG3 MET 2 HG1 MET 2 -14.167 -1.798 4.396
16 HE1 MET 2 HE1 MET 2 -10.948 0.289 5.216
17 HE2 MET 2 HE2 MET 2 -11.389 0.970 3.647
18 HE3 MET 2 HE3 MET 2 -9.940 -0.014 3.804
19 H ALA 3 HN ALA 3 -13.140 1.383 1.238
20 HA ALA 3 HA ALA 3 -12.674 -0.658 -0.751
21 HB1 ALA 3 HB1 ALA 3 -13.016 1.656 -1.501
22 HB2 ALA 3 HB2 ALA 3 -11.418 1.058 -1.944
23 HB3 ALA 3 HB3 ALA 3 -11.600 2.154 -0.577
24 H LYS 4 HN LYS 4 -11.311 -2.182 -0.125
25 HA LYS 4 HA LYS 4 -9.139 -1.689 1.688
26 HB2 LYS 4 HB2 LYS 4 -9.705 -4.118 -0.047
27 HB3 LYS 4 HB1 LYS 4 -8.407 -4.031 1.123
28 HG2 LYS 4 HG2 LYS 4 -10.130 -5.286 2.141
29 HG3 LYS 4 HG1 LYS 4 -10.188 -3.697 2.891
30 HD2 LYS 4 HD2 LYS 4 -12.066 -3.072 1.460
31 HD3 LYS 4 HD1 LYS 4 -11.986 -4.639 0.656
32 HE2 LYS 4 HE2 LYS 4 -12.537 -4.229 3.593
33 HE3 LYS 4 HE1 LYS 4 -13.777 -4.488 2.377
34 HZ1 LYS 4 HZ1 LYS 4 -11.632 -6.404 3.144
35 HZ2 LYS 4 HZ2 LYS 4 -12.719 -6.636 1.886
36 HZ3 LYS 4 HZ3 LYS 4 -13.285 -6.561 3.456
37 H LEU 5 HN LEU 5 -9.668 -1.324 -1.550
38 HA LEU 5 HA LEU 5 -7.269 -1.816 -2.850
39 HB2 LEU 5 HB2 LEU 5 -9.182 0.446 -3.374
40 HB3 LEU 5 HB1 LEU 5 -8.019 -0.211 -4.504
41 HG LEU 5 HG LEU 5 -10.437 -1.651 -3.417
42 HD11 LEU 5 HD11 LEU 5 -11.287 -1.487 -5.694
43 HD12 LEU 5 HD12 LEU 5 -9.877 -0.536 -6.155
44 HD13 LEU 5 HD13 LEU 5 -11.025 0.102 -4.980
45 HD21 LEU 5 HD21 LEU 5 -8.381 -2.531 -5.446
46 HD22 LEU 5 HD22 LEU 5 -9.877 -3.385 -5.080
47 HD23 LEU 5 HD23 LEU 5 -8.632 -3.225 -3.844
48 H LEU 6 HN LEU 6 -8.319 1.087 -1.092
49 HA LEU 6 HA LEU 6 -6.077 2.623 -1.813
50 HB2 LEU 6 HB2 LEU 6 -8.062 3.053 0.431
51 HB3 LEU 6 HB1 LEU 6 -6.810 4.200 -0.001
52 HG LEU 6 HG LEU 6 -9.070 3.310 -1.792
53 HD11 LEU 6 HD11 LEU 6 -8.651 5.883 -0.277
54 HD12 LEU 6 HD12 LEU 6 -9.859 4.649 0.082
55 HD13 LEU 6 HD13 LEU 6 -9.950 5.560 -1.425
56 HD21 LEU 6 HD21 LEU 6 -7.085 3.939 -3.067
57 HD22 LEU 6 HD22 LEU 6 -6.958 5.440 -2.151
58 HD23 LEU 6 HD23 LEU 6 -8.334 5.174 -3.219
59 HA PRO 7 HA PRO 7 -4.192 1.516 2.601
60 HB2 PRO 7 HB2 PRO 7 -5.464 -1.161 2.867
61 HB3 PRO 7 HB1 PRO 7 -5.020 -0.009 4.134
62 HG2 PRO 7 HG2 PRO 7 -7.553 -0.379 3.403
63 HG3 PRO 7 HG1 PRO 7 -6.952 1.226 3.841
64 HD2 PRO 7 HD2 PRO 7 -7.595 0.108 1.167
65 HD3 PRO 7 HD1 PRO 7 -7.720 1.769 1.784
66 H ARG 8 HN ARG 8 -5.173 -0.984 0.312
67 HA ARG 8 HA ARG 8 -2.774 -2.483 0.426
68 HB2 ARG 8 HB2 ARG 8 -5.033 -2.442 -1.533
69 HB3 ARG 8 HB1 ARG 8 -3.617 -3.452 -1.774
70 HG2 ARG 8 HG2 ARG 8 -4.055 -4.635 0.280
71 HG3 ARG 8 HG1 ARG 8 -5.395 -3.547 0.647
72 HD2 ARG 8 HD2 ARG 8 -6.092 -5.749 -0.305
73 HD3 ARG 8 HD1 ARG 8 -6.657 -4.348 -1.215
74 HE ARG 8 HE ARG 8 -4.203 -5.245 -2.247
75 HH11 ARG 8 HH11 ARG 8 -7.538 -6.301 -2.082
76 HH12 ARG 8 HH12 ARG 8 -7.577 -7.020 -3.622
77 HH21 ARG 8 HH21 ARG 8 -4.192 -6.261 -4.373
78 HH22 ARG 8 HH22 ARG 8 -5.595 -7.009 -4.959
79 H ILE 9 HN ILE 9 -3.837 0.048 -1.864
80 HA ILE 9 HA ILE 9 -1.518 -0.311 -3.462
81 HB ILE 9 HB ILE 9 -3.543 0.776 -4.430
82 HG12 ILE 9 HG12 ILE 9 -2.437 2.668 -5.617
83 HG13 ILE 9 HG11 ILE 9 -1.096 2.549 -4.487
84 HG21 ILE 9 HG21 ILE 9 -4.106 3.096 -3.942
85 HG22 ILE 9 HG22 ILE 9 -2.863 3.126 -2.689
86 HG23 ILE 9 HG23 ILE 9 -4.258 2.064 -2.517
87 HD11 ILE 9 HD11 ILE 9 -0.588 0.319 -5.303
88 HD12 ILE 9 HD12 ILE 9 -0.604 1.486 -6.624
89 HD13 ILE 9 HD13 ILE 9 -1.969 0.393 -6.396
90 H LYS 10 HN LYS 10 -2.245 1.584 -0.661
91 HA LYS 10 HA LYS 10 0.152 3.080 -0.734
92 HB2 LYS 10 HB2 LYS 10 -1.734 2.462 1.536
93 HB3 LYS 10 HB1 LYS 10 -0.344 3.529 1.687
94 HG2 LYS 10 HG2 LYS 10 -2.645 3.946 -0.221
95 HG3 LYS 10 HG1 LYS 10 -2.455 4.757 1.333
96 HD2 LYS 10 HD2 LYS 10 -0.369 5.773 0.558
97 HD3 LYS 10 HD1 LYS 10 -0.519 4.943 -0.987
98 HE2 LYS 10 HE2 LYS 10 -2.595 6.153 -1.439
99 HE3 LYS 10 HE1 LYS 10 -2.462 6.976 0.111
100 HZ1 LYS 10 HZ1 LYS 10 -0.505 7.205 -2.128
101 HZ2 LYS 10 HZ2 LYS 10 -0.406 8.002 -0.648
102 HZ3 LYS 10 HZ3 LYS 10 -1.655 8.356 -1.702
103 H LYS 11 HN LYS 11 -0.637 -0.111 0.428
104 HA LYS 11 HA LYS 11 1.745 -0.546 1.907
105 HB2 LYS 11 HB2 LYS 11 0.011 -2.533 0.422
106 HB3 LYS 11 HB1 LYS 11 1.343 -2.986 1.465
107 HG2 LYS 11 HG2 LYS 11 -1.174 -1.561 2.303
108 HG3 LYS 11 HG1 LYS 11 -0.789 -3.259 2.584
109 HD2 LYS 11 HD2 LYS 11 1.188 -2.524 3.909
110 HD3 LYS 11 HD1 LYS 11 0.646 -0.857 3.713
111 HE2 LYS 11 HE2 LYS 11 -0.878 -3.082 5.048
112 HE3 LYS 11 HE1 LYS 11 -0.056 -1.760 5.868
113 HZ1 LYS 11 HZ1 LYS 11 -1.600 -0.216 4.733
114 HZ2 LYS 11 HZ2 LYS 11 -2.366 -1.310 5.740
115 HZ3 LYS 11 HZ3 LYS 11 -2.409 -1.558 4.074
116 H LYS 12 HN LYS 12 0.915 -0.957 -1.510
117 HA LYS 12 HA LYS 12 3.345 -2.089 -2.319
118 HB2 LYS 12 HB2 LYS 12 1.291 -0.472 -3.811
119 HB3 LYS 12 HB1 LYS 12 2.576 -1.422 -4.555
120 HG2 LYS 12 HG2 LYS 12 1.648 -3.460 -3.795
121 HG3 LYS 12 HG1 LYS 12 0.530 -2.631 -2.713
122 HD2 LYS 12 HD2 LYS 12 -0.585 -3.480 -4.716
123 HD3 LYS 12 HD1 LYS 12 -0.666 -1.725 -4.628
124 HE2 LYS 12 HE2 LYS 12 -0.199 -2.316 -6.832
125 HE3 LYS 12 HE1 LYS 12 1.267 -1.630 -6.166
126 HZ1 LYS 12 HZ1 LYS 12 2.124 -3.886 -5.816
127 HZ2 LYS 12 HZ2 LYS 12 1.792 -3.598 -7.443
128 HZ3 LYS 12 HZ3 LYS 12 0.741 -4.538 -6.528
129 H ILE 13 HN ILE 13 2.278 1.198 -1.873
130 HA ILE 13 HA ILE 13 4.579 2.406 -3.069
131 HB ILE 13 HB ILE 13 2.542 3.548 -1.128
132 HG12 ILE 13 HG12 ILE 13 1.525 2.899 -3.242
133 HG13 ILE 13 HG11 ILE 13 1.575 4.650 -3.102
134 HG21 ILE 13 HG21 ILE 13 3.325 5.772 -1.790
135 HG22 ILE 13 HG22 ILE 13 4.594 5.028 -2.762
136 HG23 ILE 13 HG23 ILE 13 4.603 4.835 -1.009
137 HD11 ILE 13 HD11 ILE 13 2.109 3.940 -5.355
138 HD12 ILE 13 HD12 ILE 13 3.430 2.942 -4.758
139 HD13 ILE 13 HD13 ILE 13 3.514 4.700 -4.609
140 H LEU 14 HN LEU 14 3.569 1.603 0.210
141 HA LEU 14 HA LEU 14 5.714 2.632 1.640
142 HB2 LEU 14 HB2 LEU 14 3.682 1.882 2.718
143 HB3 LEU 14 HB1 LEU 14 3.968 0.239 2.192
144 HG LEU 14 HG LEU 14 5.971 0.153 3.652
145 HD11 LEU 14 HD11 LEU 14 6.499 2.519 3.739
146 HD12 LEU 14 HD12 LEU 14 6.303 1.849 5.357
147 HD13 LEU 14 HD13 LEU 14 5.019 2.826 4.648
148 HD21 LEU 14 HD21 LEU 14 4.735 0.003 5.763
149 HD22 LEU 14 HD22 LEU 14 3.849 -0.729 4.425
150 HD23 LEU 14 HD23 LEU 14 3.384 0.862 5.024
151 H ALA 15 HN ALA 15 5.265 -0.644 0.332
152 HA ALA 15 HA ALA 15 7.705 -1.713 1.229
153 HB1 ALA 15 HB1 ALA 15 5.831 -3.077 0.440
154 HB2 ALA 15 HB2 ALA 15 7.335 -3.502 -0.374
155 HB3 ALA 15 HB3 ALA 15 6.124 -2.527 -1.209
156 H ALA 16 HN ALA 16 6.965 0.238 -1.506
157 HA ALA 16 HA ALA 16 9.442 -0.213 -2.879
158 HB1 ALA 16 HB1 ALA 16 8.716 1.679 -4.288
159 HB2 ALA 16 HB2 ALA 16 7.357 1.947 -3.195
160 HB3 ALA 16 HB3 ALA 16 7.461 0.452 -4.120
161 H ALA 17 HN ALA 17 8.103 2.252 -0.754
162 HA ALA 17 HA ALA 17 10.378 3.978 -0.876
163 HB1 ALA 17 HB1 ALA 17 9.255 5.242 0.856
164 HB2 ALA 17 HB2 ALA 17 8.125 3.915 1.119
165 HB3 ALA 17 HB3 ALA 17 8.109 4.797 -0.407
166 H PHE 18 HN PHE 18 9.358 1.383 1.186
167 HA PHE 18 HA PHE 18 11.485 1.842 3.078
168 HB2 PHE 18 HB2 PHE 18 9.217 1.022 3.796
169 HB3 PHE 18 HB1 PHE 18 9.510 -0.454 2.899
170 HD1 PHE 18 HD1 PHE 18 10.609 -2.259 3.918
171 HD2 PHE 18 HD2 PHE 18 10.761 1.590 5.722
172 HE1 PHE 18 HE1 PHE 18 11.621 -3.246 5.926
173 HE2 PHE 18 HE2 PHE 18 11.776 0.610 7.732
174 HZ PHE 18 HZ PHE 18 12.211 -1.808 7.837
175 H LYS 19 HN LYS 19 13.055 1.741 1.367
176 HA LYS 19 HA LYS 19 14.348 -0.776 1.279
177 HB2 LYS 19 HB2 LYS 19 12.719 -0.994 -0.624
178 HB3 LYS 19 HB1 LYS 19 13.429 0.440 -1.345
179 HG2 LYS 19 HG2 LYS 19 15.590 -0.724 -1.474
180 HG3 LYS 19 HG1 LYS 19 14.829 -2.174 -0.821
181 HD2 LYS 19 HD2 LYS 19 14.937 -2.437 -3.185
182 HD3 LYS 19 HD1 LYS 19 13.253 -2.109 -2.786
183 HE2 LYS 19 HE2 LYS 19 13.874 -0.856 -4.751
184 HE3 LYS 19 HE1 LYS 19 13.627 0.267 -3.422
185 HZ1 LYS 19 HZ1 LYS 19 15.619 0.777 -4.714
186 HZ2 LYS 19 HZ2 LYS 19 16.289 -0.721 -4.327
187 HZ3 LYS 19 HZ3 LYS 19 16.017 0.413 -3.128
Start of MODEL 3
1 H2 PRO 1 HT1 PRO 1 -15.000 7.083 -3.241
2 H3 PRO 1 HT2 PRO 1 -14.177 5.702 -3.372
3 HA PRO 1 HA PRO 1 -12.110 6.721 -2.630
4 HB2 PRO 1 HB2 PRO 1 -13.389 8.561 -0.899
5 HB3 PRO 1 HB1 PRO 1 -12.232 8.935 -2.182
6 HG2 PRO 1 HG2 PRO 1 -15.195 9.013 -2.238
7 HG3 PRO 1 HG1 PRO 1 -14.029 9.998 -3.132
8 HD2 PRO 1 HD2 PRO 1 -15.378 8.108 -4.427
9 HD3 PRO 1 HD1 PRO 1 -13.665 8.392 -4.728
10 H MET 2 HN MET 2 -11.716 6.386 -0.298
11 HA MET 2 HA MET 2 -11.829 5.101 1.522
12 HB2 MET 2 HB2 MET 2 -14.835 5.448 1.324
13 HB3 MET 2 HB1 MET 2 -13.948 4.851 2.719
14 HG2 MET 2 HG2 MET 2 -12.876 7.007 2.993
15 HG3 MET 2 HG1 MET 2 -13.690 7.601 1.549
16 HE1 MET 2 HE1 MET 2 -16.638 6.330 1.903
17 HE2 MET 2 HE2 MET 2 -16.305 7.977 1.370
18 HE3 MET 2 HE3 MET 2 -17.438 7.690 2.689
19 H ALA 3 HN ALA 3 -11.007 3.350 0.332
20 HA ALA 3 HA ALA 3 -12.905 1.147 -0.023
21 HB1 ALA 3 HB1 ALA 3 -11.699 0.517 -2.114
22 HB2 ALA 3 HB2 ALA 3 -10.866 2.072 -2.053
23 HB3 ALA 3 HB3 ALA 3 -12.616 2.009 -2.241
24 H LYS 4 HN LYS 4 -11.859 -0.938 0.072
25 HA LYS 4 HA LYS 4 -9.724 -1.094 1.961
26 HB2 LYS 4 HB2 LYS 4 -9.935 -3.535 1.593
27 HB3 LYS 4 HB1 LYS 4 -11.470 -2.752 1.957
28 HG2 LYS 4 HG2 LYS 4 -12.076 -2.776 -0.394
29 HG3 LYS 4 HG1 LYS 4 -10.518 -3.479 -0.805
30 HD2 LYS 4 HD2 LYS 4 -12.540 -4.787 0.999
31 HD3 LYS 4 HD1 LYS 4 -12.425 -5.061 -0.742
32 HE2 LYS 4 HE2 LYS 4 -10.122 -5.859 -0.451
33 HE3 LYS 4 HE1 LYS 4 -10.239 -5.596 1.283
34 HZ1 LYS 4 HZ1 LYS 4 -12.039 -7.215 1.347
35 HZ2 LYS 4 HZ2 LYS 4 -10.620 -7.907 0.734
36 HZ3 LYS 4 HZ3 LYS 4 -11.869 -7.485 -0.310
37 H LEU 5 HN LEU 5 -9.865 -0.932 -1.419
38 HA LEU 5 HA LEU 5 -7.411 -2.337 -1.933
39 HB2 LEU 5 HB2 LEU 5 -9.017 -0.543 -3.742
40 HB3 LEU 5 HB1 LEU 5 -7.729 -1.622 -4.240
41 HG LEU 5 HG LEU 5 -10.396 -2.458 -3.098
42 HD11 LEU 5 HD11 LEU 5 -9.276 -2.695 -5.872
43 HD12 LEU 5 HD12 LEU 5 -10.573 -1.618 -5.356
44 HD13 LEU 5 HD13 LEU 5 -10.809 -3.366 -5.319
45 HD21 LEU 5 HD21 LEU 5 -8.661 -4.024 -2.426
46 HD22 LEU 5 HD22 LEU 5 -8.083 -4.129 -4.085
47 HD23 LEU 5 HD23 LEU 5 -9.681 -4.748 -3.670
48 H LEU 6 HN LEU 6 -8.293 0.816 -1.035
49 HA LEU 6 HA LEU 6 -6.131 2.183 -2.236
50 HB2 LEU 6 HB2 LEU 6 -7.942 3.007 0.025
51 HB3 LEU 6 HB1 LEU 6 -6.752 4.059 -0.718
52 HG LEU 6 HG LEU 6 -9.051 2.793 -2.198
53 HD11 LEU 6 HD11 LEU 6 -9.856 4.410 -0.554
54 HD12 LEU 6 HD12 LEU 6 -10.047 5.012 -2.199
55 HD13 LEU 6 HD13 LEU 6 -8.730 5.607 -1.191
56 HD21 LEU 6 HD21 LEU 6 -7.062 4.907 -2.984
57 HD22 LEU 6 HD22 LEU 6 -8.488 4.452 -3.910
58 HD23 LEU 6 HD23 LEU 6 -7.202 3.277 -3.652
59 HA PRO 7 HA PRO 7 -3.900 1.718 2.092
60 HB2 PRO 7 HB2 PRO 7 -4.676 -0.696 3.287
61 HB3 PRO 7 HB1 PRO 7 -5.075 0.920 3.880
62 HG2 PRO 7 HG2 PRO 7 -6.696 -0.976 2.267
63 HG3 PRO 7 HG1 PRO 7 -7.213 0.162 3.523
64 HD2 PRO 7 HD2 PRO 7 -7.626 0.660 0.927
65 HD3 PRO 7 HD1 PRO 7 -7.214 1.958 2.067
66 H ARG 8 HN ARG 8 -5.055 -0.854 -0.001
67 HA ARG 8 HA ARG 8 -2.685 -2.434 0.184
68 HB2 ARG 8 HB2 ARG 8 -4.691 -2.382 -2.085
69 HB3 ARG 8 HB1 ARG 8 -3.470 -3.614 -1.832
70 HG2 ARG 8 HG2 ARG 8 -4.606 -4.095 0.382
71 HG3 ARG 8 HG1 ARG 8 -5.915 -3.059 -0.182
72 HD2 ARG 8 HD2 ARG 8 -6.508 -5.321 -0.716
73 HD3 ARG 8 HD1 ARG 8 -6.078 -4.510 -2.218
74 HE ARG 8 HE ARG 8 -3.842 -5.798 -1.048
75 HH11 ARG 8 HH11 ARG 8 -6.762 -6.530 -2.971
76 HH12 ARG 8 HH12 ARG 8 -6.079 -7.880 -3.722
77 HH21 ARG 8 HH21 ARG 8 -2.952 -7.741 -2.074
78 HH22 ARG 8 HH22 ARG 8 -3.906 -8.590 -3.198
79 H ILE 9 HN ILE 9 -3.750 0.184 -1.887
80 HA ILE 9 HA ILE 9 -1.508 0.182 -3.628
81 HB ILE 9 HB ILE 9 -3.306 2.503 -2.830
82 HG12 ILE 9 HG12 ILE 9 -3.398 0.708 -5.269
83 HG13 ILE 9 HG11 ILE 9 -4.526 0.661 -3.921
84 HG21 ILE 9 HG21 ILE 9 -1.192 3.322 -3.730
85 HG22 ILE 9 HG22 ILE 9 -2.503 3.624 -4.869
86 HG23 ILE 9 HG23 ILE 9 -1.382 2.292 -5.150
87 HD11 ILE 9 HD11 ILE 9 -4.141 2.956 -5.831
88 HD12 ILE 9 HD12 ILE 9 -5.268 2.929 -4.478
89 HD13 ILE 9 HD13 ILE 9 -5.487 1.817 -5.831
90 H LYS 10 HN LYS 10 -2.276 1.834 -0.632
91 HA LYS 10 HA LYS 10 0.081 3.343 -0.407
92 HB2 LYS 10 HB2 LYS 10 -1.746 2.302 1.755
93 HB3 LYS 10 HB1 LYS 10 -0.468 3.474 2.024
94 HG2 LYS 10 HG2 LYS 10 -1.580 5.015 0.460
95 HG3 LYS 10 HG1 LYS 10 -2.887 3.844 0.271
96 HD2 LYS 10 HD2 LYS 10 -3.396 4.001 2.641
97 HD3 LYS 10 HD1 LYS 10 -2.043 5.106 2.875
98 HE2 LYS 10 HE2 LYS 10 -3.133 6.702 1.332
99 HE3 LYS 10 HE1 LYS 10 -4.500 5.599 1.207
100 HZ1 LYS 10 HZ1 LYS 10 -4.884 7.372 2.833
101 HZ2 LYS 10 HZ2 LYS 10 -3.548 6.853 3.719
102 HZ3 LYS 10 HZ3 LYS 10 -4.893 5.848 3.557
103 H LYS 11 HN LYS 11 -0.679 0.074 0.621
104 HA LYS 11 HA LYS 11 1.710 -0.440 1.973
105 HB2 LYS 11 HB2 LYS 11 -0.209 -1.920 2.202
106 HB3 LYS 11 HB1 LYS 11 -0.130 -2.338 0.504
107 HG2 LYS 11 HG2 LYS 11 0.742 -4.124 1.964
108 HG3 LYS 11 HG1 LYS 11 1.953 -3.524 0.834
109 HD2 LYS 11 HD2 LYS 11 2.937 -3.872 3.039
110 HD3 LYS 11 HD1 LYS 11 2.937 -2.159 2.637
111 HE2 LYS 11 HE2 LYS 11 2.304 -2.478 4.946
112 HE3 LYS 11 HE1 LYS 11 0.926 -1.868 4.038
113 HZ1 LYS 11 HZ1 LYS 11 0.018 -4.098 3.975
114 HZ2 LYS 11 HZ2 LYS 11 0.334 -3.652 5.563
115 HZ3 LYS 11 HZ3 LYS 11 1.360 -4.715 4.780
116 H LYS 12 HN LYS 12 0.906 -0.697 -1.503
117 HA LYS 12 HA LYS 12 3.314 -1.876 -2.305
118 HB2 LYS 12 HB2 LYS 12 1.425 -0.014 -3.731
119 HB3 LYS 12 HB1 LYS 12 2.742 -0.888 -4.503
120 HG2 LYS 12 HG2 LYS 12 1.704 -2.974 -4.143
121 HG3 LYS 12 HG1 LYS 12 0.551 -2.280 -2.999
122 HD2 LYS 12 HD2 LYS 12 -0.485 -2.727 -5.174
123 HD3 LYS 12 HD1 LYS 12 -0.490 -1.011 -4.788
124 HE2 LYS 12 HE2 LYS 12 0.072 -1.208 -7.022
125 HE3 LYS 12 HE1 LYS 12 1.553 -0.768 -6.198
126 HZ1 LYS 12 HZ1 LYS 12 2.216 -3.139 -6.241
127 HZ2 LYS 12 HZ2 LYS 12 2.011 -2.517 -7.787
128 HZ3 LYS 12 HZ3 LYS 12 0.821 -3.500 -7.118
129 H ILE 13 HN ILE 13 2.295 1.456 -1.856
130 HA ILE 13 HA ILE 13 4.642 2.714 -2.758
131 HB ILE 13 HB ILE 13 2.675 3.674 -0.649
132 HG12 ILE 13 HG12 ILE 13 2.761 4.251 -3.621
133 HG13 ILE 13 HG11 ILE 13 1.637 3.146 -2.839
134 HG21 ILE 13 HG21 ILE 13 3.477 5.941 -1.202
135 HG22 ILE 13 HG22 ILE 13 4.683 5.239 -2.281
136 HG23 ILE 13 HG23 ILE 13 4.768 4.928 -0.548
137 HD11 ILE 13 HD11 ILE 13 1.811 6.115 -2.394
138 HD12 ILE 13 HD12 ILE 13 0.687 5.026 -1.587
139 HD13 ILE 13 HD13 ILE 13 0.580 5.268 -3.330
140 H LEU 14 HN LEU 14 3.638 1.601 0.428
141 HA LEU 14 HA LEU 14 5.877 2.484 1.876
142 HB2 LEU 14 HB2 LEU 14 3.758 1.804 2.910
143 HB3 LEU 14 HB1 LEU 14 4.038 0.151 2.412
144 HG LEU 14 HG LEU 14 6.020 0.071 3.890
145 HD11 LEU 14 HD11 LEU 14 6.584 2.425 3.945
146 HD12 LEU 14 HD12 LEU 14 6.327 1.811 5.576
147 HD13 LEU 14 HD13 LEU 14 5.079 2.783 4.796
148 HD21 LEU 14 HD21 LEU 14 3.435 0.843 5.234
149 HD22 LEU 14 HD22 LEU 14 4.765 -0.026 5.994
150 HD23 LEU 14 HD23 LEU 14 3.873 -0.768 4.666
151 H ALA 15 HN ALA 15 5.215 -0.575 0.236
152 HA ALA 15 HA ALA 15 7.662 -1.805 1.041
153 HB1 ALA 15 HB1 ALA 15 5.669 -3.117 0.483
154 HB2 ALA 15 HB2 ALA 15 7.052 -3.588 -0.502
155 HB3 ALA 15 HB3 ALA 15 5.783 -2.571 -1.189
156 H ALA 16 HN ALA 16 6.764 0.288 -1.550
157 HA ALA 16 HA ALA 16 9.159 -0.263 -3.072
158 HB1 ALA 16 HB1 ALA 16 8.397 1.519 -4.551
159 HB2 ALA 16 HB2 ALA 16 7.129 1.948 -3.400
160 HB3 ALA 16 HB3 ALA 16 7.084 0.387 -4.219
161 H ALA 17 HN ALA 17 8.107 1.910 -0.631
162 HA ALA 17 HA ALA 17 10.274 3.758 -0.944
163 HB1 ALA 17 HB1 ALA 17 8.391 3.368 1.386
164 HB2 ALA 17 HB2 ALA 17 8.127 4.458 0.026
165 HB3 ALA 17 HB3 ALA 17 9.464 4.746 1.139
166 H PHE 18 HN PHE 18 9.485 1.145 1.306
167 HA PHE 18 HA PHE 18 12.063 1.318 2.596
168 HB2 PHE 18 HB2 PHE 18 10.027 0.745 3.889
169 HB3 PHE 18 HB1 PHE 18 9.805 -0.687 2.898
170 HD1 PHE 18 HD1 PHE 18 11.167 -2.665 3.250
171 HD2 PHE 18 HD2 PHE 18 11.781 0.857 5.554
172 HE1 PHE 18 HE1 PHE 18 12.535 -3.951 4.839
173 HE2 PHE 18 HE2 PHE 18 13.145 -0.414 7.140
174 HZ PHE 18 HZ PHE 18 13.530 -2.820 6.793
175 H LYS 19 HN LYS 19 13.720 0.627 1.374
176 HA LYS 19 HA LYS 19 13.660 -2.074 0.379
177 HB2 LYS 19 HB2 LYS 19 14.519 -1.272 -1.894
178 HB3 LYS 19 HB1 LYS 19 12.811 -1.021 -1.570
179 HG2 LYS 19 HG2 LYS 19 13.286 1.315 -0.967
180 HG3 LYS 19 HG1 LYS 19 14.982 1.054 -1.364
181 HD2 LYS 19 HD2 LYS 19 14.381 0.594 -3.676
182 HD3 LYS 19 HD1 LYS 19 12.669 0.764 -3.276
183 HE2 LYS 19 HE2 LYS 19 14.776 2.918 -3.098
184 HE3 LYS 19 HE1 LYS 19 13.482 2.810 -4.290
185 HZ1 LYS 19 HZ1 LYS 19 12.823 4.358 -2.584
186 HZ2 LYS 19 HZ2 LYS 19 13.176 3.267 -1.370
187 HZ3 LYS 19 HZ3 LYS 19 11.886 2.965 -2.427
Start of MODEL 4
1 H2 PRO 1 HT1 PRO 1 -11.575 1.332 4.844
2 H3 PRO 1 HT2 PRO 1 -12.864 2.034 5.550
3 HA PRO 1 HA PRO 1 -12.254 4.216 4.769
4 HB2 PRO 1 HB2 PRO 1 -10.715 3.592 2.572
5 HB3 PRO 1 HB1 PRO 1 -10.082 4.312 4.062
6 HG2 PRO 1 HG2 PRO 1 -10.098 1.446 3.203
7 HG3 PRO 1 HG1 PRO 1 -8.826 2.356 4.040
8 HD2 PRO 1 HD2 PRO 1 -10.321 0.662 5.406
9 HD3 PRO 1 HD1 PRO 1 -9.858 2.207 6.075
10 H MET 2 HN MET 2 -13.021 4.759 2.474
11 HA MET 2 HA MET 2 -15.101 2.981 1.721
12 HB2 MET 2 HB2 MET 2 -14.003 5.483 0.438
13 HB3 MET 2 HB1 MET 2 -15.353 4.581 -0.232
14 HG2 MET 2 HG2 MET 2 -15.304 5.762 2.527
15 HG3 MET 2 HG1 MET 2 -16.001 6.558 1.121
16 HE1 MET 2 HE1 MET 2 -17.595 6.021 3.834
17 HE2 MET 2 HE2 MET 2 -19.150 5.466 3.213
18 HE3 MET 2 HE3 MET 2 -18.317 6.812 2.432
19 H ALA 3 HN ALA 3 -12.122 4.041 0.166
20 HA ALA 3 HA ALA 3 -12.344 1.900 -1.763
21 HB1 ALA 3 HB1 ALA 3 -10.310 2.865 -2.742
22 HB2 ALA 3 HB2 ALA 3 -10.199 4.000 -1.399
23 HB3 ALA 3 HB3 ALA 3 -11.551 4.100 -2.526
24 H LYS 4 HN LYS 4 -11.853 -0.027 -0.968
25 HA LYS 4 HA LYS 4 -10.029 -0.422 1.192
26 HB2 LYS 4 HB2 LYS 4 -11.181 -2.479 -0.695
27 HB3 LYS 4 HB1 LYS 4 -10.568 -2.752 0.936
28 HG2 LYS 4 HG2 LYS 4 -12.356 -1.383 1.856
29 HG3 LYS 4 HG1 LYS 4 -12.969 -1.076 0.237
30 HD2 LYS 4 HD2 LYS 4 -14.320 -2.742 1.143
31 HD3 LYS 4 HD1 LYS 4 -13.258 -3.560 0.011
32 HE2 LYS 4 HE2 LYS 4 -11.836 -4.344 1.792
33 HE3 LYS 4 HE1 LYS 4 -12.752 -3.417 2.980
34 HZ1 LYS 4 HZ1 LYS 4 -14.668 -4.801 2.541
35 HZ2 LYS 4 HZ2 LYS 4 -13.356 -5.760 2.980
36 HZ3 LYS 4 HZ3 LYS 4 -13.836 -5.670 1.371
37 H LEU 5 HN LEU 5 -9.722 0.049 -2.049
38 HA LEU 5 HA LEU 5 -7.340 -1.411 -2.603
39 HB2 LEU 5 HB2 LEU 5 -8.608 0.977 -3.951
40 HB3 LEU 5 HB1 LEU 5 -7.117 0.264 -4.507
41 HG LEU 5 HG LEU 5 -8.347 -1.845 -5.006
42 HD11 LEU 5 HD11 LEU 5 -10.194 -1.627 -3.429
43 HD12 LEU 5 HD12 LEU 5 -10.776 -1.847 -5.079
44 HD13 LEU 5 HD13 LEU 5 -10.809 -0.246 -4.338
45 HD21 LEU 5 HD21 LEU 5 -9.517 -0.984 -6.963
46 HD22 LEU 5 HD22 LEU 5 -7.953 -0.200 -6.730
47 HD23 LEU 5 HD23 LEU 5 -9.436 0.643 -6.289
48 H LEU 6 HN LEU 6 -8.106 1.599 -1.058
49 HA LEU 6 HA LEU 6 -5.722 2.978 -1.487
50 HB2 LEU 6 HB2 LEU 6 -7.809 4.043 -0.682
51 HB3 LEU 6 HB1 LEU 6 -7.641 3.276 0.865
52 HG LEU 6 HG LEU 6 -5.674 5.331 -0.194
53 HD11 LEU 6 HD11 LEU 6 -8.051 5.708 1.623
54 HD12 LEU 6 HD12 LEU 6 -7.900 6.307 -0.028
55 HD13 LEU 6 HD13 LEU 6 -6.845 6.935 1.237
56 HD21 LEU 6 HD21 LEU 6 -6.216 4.340 2.619
57 HD22 LEU 6 HD22 LEU 6 -5.049 5.582 2.165
58 HD23 LEU 6 HD23 LEU 6 -4.812 3.915 1.640
59 HA PRO 7 HA PRO 7 -3.900 1.126 2.630
60 HB2 PRO 7 HB2 PRO 7 -5.355 -1.446 2.820
61 HB3 PRO 7 HB1 PRO 7 -4.883 -0.333 4.108
62 HG2 PRO 7 HG2 PRO 7 -7.423 -0.560 3.345
63 HG3 PRO 7 HG1 PRO 7 -6.745 1.010 3.806
64 HD2 PRO 7 HD2 PRO 7 -7.296 -0.100 1.088
65 HD3 PRO 7 HD1 PRO 7 -7.549 1.542 1.714
66 H ARG 8 HN ARG 8 -5.148 -0.896 0.069
67 HA ARG 8 HA ARG 8 -3.001 -2.777 0.085
68 HB2 ARG 8 HB2 ARG 8 -5.020 -2.232 -2.089
69 HB3 ARG 8 HB1 ARG 8 -3.982 -3.648 -1.978
70 HG2 ARG 8 HG2 ARG 8 -5.081 -4.265 0.123
71 HG3 ARG 8 HG1 ARG 8 -6.150 -2.870 -0.040
72 HD2 ARG 8 HD2 ARG 8 -7.325 -4.800 -0.822
73 HD3 ARG 8 HD1 ARG 8 -6.907 -3.819 -2.226
74 HE ARG 8 HE ARG 8 -4.852 -5.610 -1.914
75 HH11 ARG 8 HH11 ARG 8 -8.333 -5.807 -2.587
76 HH12 ARG 8 HH12 ARG 8 -8.235 -7.325 -3.345
77 HH21 ARG 8 HH21 ARG 8 -4.731 -7.695 -2.928
78 HH22 ARG 8 HH22 ARG 8 -6.129 -8.441 -3.533
79 H ILE 9 HN ILE 9 -3.783 0.047 -1.934
80 HA ILE 9 HA ILE 9 -1.448 -0.297 -3.510
81 HB ILE 9 HB ILE 9 -1.809 1.997 -4.368
82 HG12 ILE 9 HG12 ILE 9 -4.139 2.077 -2.441
83 HG13 ILE 9 HG11 ILE 9 -2.678 3.048 -2.316
84 HG21 ILE 9 HG21 ILE 9 -2.927 0.180 -5.442
85 HG22 ILE 9 HG22 ILE 9 -3.981 1.596 -5.447
86 HG23 ILE 9 HG23 ILE 9 -4.275 0.278 -4.310
87 HD11 ILE 9 HD11 ILE 9 -4.539 4.340 -3.196
88 HD12 ILE 9 HD12 ILE 9 -4.716 3.197 -4.529
89 HD13 ILE 9 HD13 ILE 9 -3.258 4.182 -4.396
90 H LYS 10 HN LYS 10 -2.173 1.467 -0.573
91 HA LYS 10 HA LYS 10 0.282 2.855 -0.463
92 HB2 LYS 10 HB2 LYS 10 -1.671 3.453 0.972
93 HB3 LYS 10 HB1 LYS 10 -1.449 1.959 1.867
94 HG2 LYS 10 HG2 LYS 10 0.788 2.730 2.568
95 HG3 LYS 10 HG1 LYS 10 0.517 4.244 1.709
96 HD2 LYS 10 HD2 LYS 10 -1.427 4.690 3.175
97 HD3 LYS 10 HD1 LYS 10 -1.080 3.196 4.048
98 HE2 LYS 10 HE2 LYS 10 1.131 4.066 4.662
99 HE3 LYS 10 HE1 LYS 10 0.781 5.557 3.795
100 HZ1 LYS 10 HZ1 LYS 10 0.432 5.832 6.141
101 HZ2 LYS 10 HZ2 LYS 10 -0.663 4.554 6.193
102 HZ3 LYS 10 HZ3 LYS 10 -1.046 5.961 5.347
103 H LYS 11 HN LYS 11 -0.761 -0.312 0.520
104 HA LYS 11 HA LYS 11 1.407 -1.177 2.045
105 HB2 LYS 11 HB2 LYS 11 -0.749 -2.363 1.823
106 HB3 LYS 11 HB1 LYS 11 -0.368 -2.744 0.159
107 HG2 LYS 11 HG2 LYS 11 -0.046 -4.680 1.542
108 HG3 LYS 11 HG1 LYS 11 1.511 -4.126 0.931
109 HD2 LYS 11 HD2 LYS 11 2.004 -3.072 3.058
110 HD3 LYS 11 HD1 LYS 11 0.407 -3.511 3.670
111 HE2 LYS 11 HE2 LYS 11 0.949 -5.862 3.478
112 HE3 LYS 11 HE1 LYS 11 2.506 -5.458 2.758
113 HZ1 LYS 11 HZ1 LYS 11 3.121 -4.376 4.810
114 HZ2 LYS 11 HZ2 LYS 11 2.763 -5.997 5.079
115 HZ3 LYS 11 HZ3 LYS 11 1.657 -4.794 5.532
116 H LYS 12 HN LYS 12 0.916 -1.100 -1.415
117 HA LYS 12 HA LYS 12 3.349 -2.478 -2.079
118 HB2 LYS 12 HB2 LYS 12 1.550 -0.780 -3.817
119 HB3 LYS 12 HB1 LYS 12 2.781 -1.896 -4.385
120 HG2 LYS 12 HG2 LYS 12 1.534 -3.770 -3.471
121 HG3 LYS 12 HG1 LYS 12 0.322 -2.663 -2.828
122 HD2 LYS 12 HD2 LYS 12 -0.180 -1.923 -5.128
123 HD3 LYS 12 HD1 LYS 12 0.988 -3.099 -5.737
124 HE2 LYS 12 HE2 LYS 12 -0.315 -4.902 -4.702
125 HE3 LYS 12 HE1 LYS 12 -1.495 -3.721 -4.139
126 HZ1 LYS 12 HZ1 LYS 12 -1.952 -3.170 -6.474
127 HZ2 LYS 12 HZ2 LYS 12 -2.245 -4.793 -6.157
128 HZ3 LYS 12 HZ3 LYS 12 -0.851 -4.341 -6.971
129 H ILE 13 HN ILE 13 2.201 0.863 -2.401
130 HA ILE 13 HA ILE 13 4.568 1.956 -3.438
131 HB ILE 13 HB ILE 13 2.317 3.336 -1.934
132 HG12 ILE 13 HG12 ILE 13 2.795 3.043 -4.910
133 HG13 ILE 13 HG11 ILE 13 1.643 2.096 -3.980
134 HG21 ILE 13 HG21 ILE 13 4.325 4.737 -1.979
135 HG22 ILE 13 HG22 ILE 13 3.070 5.396 -3.033
136 HG23 ILE 13 HG23 ILE 13 4.435 4.526 -3.728
137 HD11 ILE 13 HD11 ILE 13 1.563 5.078 -4.388
138 HD12 ILE 13 HD12 ILE 13 0.394 4.133 -3.463
139 HD13 ILE 13 HD13 ILE 13 0.548 3.890 -5.204
140 H LEU 14 HN LEU 14 3.453 1.628 -0.099
141 HA LEU 14 HA LEU 14 5.486 3.188 1.095
142 HB2 LEU 14 HB2 LEU 14 3.395 2.644 2.242
143 HB3 LEU 14 HB1 LEU 14 3.820 0.948 2.241
144 HG LEU 14 HG LEU 14 5.745 1.483 3.729
145 HD11 LEU 14 HD11 LEU 14 4.475 4.215 3.842
146 HD12 LEU 14 HD12 LEU 14 6.041 3.820 3.133
147 HD13 LEU 14 HD13 LEU 14 5.791 3.637 4.866
148 HD21 LEU 14 HD21 LEU 14 3.632 0.645 4.618
149 HD22 LEU 14 HD22 LEU 14 3.019 2.295 4.741
150 HD23 LEU 14 HD23 LEU 14 4.381 1.782 5.735
151 H ALA 15 HN ALA 15 5.217 -0.221 0.277
152 HA ALA 15 HA ALA 15 7.537 -1.061 1.662
153 HB1 ALA 15 HB1 ALA 15 6.212 -2.317 -0.735
154 HB2 ALA 15 HB2 ALA 15 5.798 -2.619 0.953
155 HB3 ALA 15 HB3 ALA 15 7.379 -3.097 0.333
156 H ALA 16 HN ALA 16 6.957 0.103 -1.579
157 HA ALA 16 HA ALA 16 9.587 -0.328 -2.538
158 HB1 ALA 16 HB1 ALA 16 8.945 1.154 -4.380
159 HB2 ALA 16 HB2 ALA 16 7.502 1.635 -3.486
160 HB3 ALA 16 HB3 ALA 16 7.682 -0.029 -4.040
161 H ALA 17 HN ALA 17 8.044 2.246 -0.764
162 HA ALA 17 HA ALA 17 10.226 4.105 -1.061
163 HB1 ALA 17 HB1 ALA 17 7.919 4.902 -0.758
164 HB2 ALA 17 HB2 ALA 17 8.982 5.495 0.520
165 HB3 ALA 17 HB3 ALA 17 7.879 4.157 0.840
166 H PHE 18 HN PHE 18 9.290 1.609 1.119
167 HA PHE 18 HA PHE 18 11.081 2.376 3.206
168 HB2 PHE 18 HB2 PHE 18 8.956 1.166 3.657
169 HB3 PHE 18 HB1 PHE 18 9.573 -0.218 2.774
170 HD1 PHE 18 HD1 PHE 18 10.146 1.888 5.759
171 HD2 PHE 18 HD2 PHE 18 10.851 -1.850 3.871
172 HE1 PHE 18 HE1 PHE 18 11.059 0.999 7.867
173 HE2 PHE 18 HE2 PHE 18 11.773 -2.743 5.970
174 HZ PHE 18 HZ PHE 18 11.874 -1.315 7.972
175 H LYS 19 HN LYS 19 13.060 2.468 2.312
176 HA LYS 19 HA LYS 19 14.157 -0.026 1.257
177 HB2 LYS 19 HB2 LYS 19 15.112 2.817 0.792
178 HB3 LYS 19 HB1 LYS 19 15.841 1.369 0.113
179 HG2 LYS 19 HG2 LYS 19 13.735 0.937 -1.121
180 HG3 LYS 19 HG1 LYS 19 13.088 2.446 -0.481
181 HD2 LYS 19 HD2 LYS 19 14.908 3.679 -1.578
182 HD3 LYS 19 HD1 LYS 19 15.541 2.167 -2.222
183 HE2 LYS 19 HE2 LYS 19 12.841 3.378 -2.831
184 HE3 LYS 19 HE1 LYS 19 14.233 3.362 -3.906
185 HZ1 LYS 19 HZ1 LYS 19 12.720 1.623 -4.520
186 HZ2 LYS 19 HZ2 LYS 19 12.665 1.023 -2.976
187 HZ3 LYS 19 HZ3 LYS 19 14.092 0.889 -3.871
Start of MODEL 5
1 H2 PRO 1 HT1 PRO 1 -15.456 7.473 -0.098
2 H3 PRO 1 HT2 PRO 1 -15.015 8.170 1.331
3 HA PRO 1 HA PRO 1 -16.211 6.622 2.633
4 HB2 PRO 1 HB2 PRO 1 -16.227 4.430 0.924
5 HB3 PRO 1 HB1 PRO 1 -17.656 5.313 1.484
6 HG2 PRO 1 HG2 PRO 1 -16.130 5.616 -1.072
7 HG3 PRO 1 HG1 PRO 1 -17.877 5.722 -0.794
8 HD2 PRO 1 HD2 PRO 1 -16.496 7.934 -1.175
9 HD3 PRO 1 HD1 PRO 1 -17.762 7.848 0.041
10 H MET 2 HN MET 2 -14.845 4.992 3.546
11 HA MET 2 HA MET 2 -12.114 5.218 2.778
12 HB2 MET 2 HB2 MET 2 -13.500 3.515 4.842
13 HB3 MET 2 HB1 MET 2 -11.758 3.539 4.619
14 HG2 MET 2 HG2 MET 2 -13.451 5.917 5.321
15 HG3 MET 2 HG1 MET 2 -12.522 4.961 6.469
16 HE1 MET 2 HE1 MET 2 -9.850 4.839 6.463
17 HE2 MET 2 HE2 MET 2 -8.827 5.710 5.324
18 HE3 MET 2 HE3 MET 2 -9.827 4.374 4.759
19 H ALA 3 HN ALA 3 -11.342 4.241 1.110
20 HA ALA 3 HA ALA 3 -12.514 1.880 -0.024
21 HB1 ALA 3 HB1 ALA 3 -10.014 3.408 -0.740
22 HB2 ALA 3 HB2 ALA 3 -11.606 3.652 -1.447
23 HB3 ALA 3 HB3 ALA 3 -10.742 2.137 -1.719
24 H LYS 4 HN LYS 4 -11.595 -0.147 -0.083
25 HA LYS 4 HA LYS 4 -9.704 -0.693 2.050
26 HB2 LYS 4 HB2 LYS 4 -11.620 -2.411 0.516
27 HB3 LYS 4 HB1 LYS 4 -10.286 -3.155 1.377
28 HG2 LYS 4 HG2 LYS 4 -12.279 -3.214 2.738
29 HG3 LYS 4 HG1 LYS 4 -11.086 -2.142 3.463
30 HD2 LYS 4 HD2 LYS 4 -12.304 -0.212 2.502
31 HD3 LYS 4 HD1 LYS 4 -13.519 -1.325 1.880
32 HE2 LYS 4 HE2 LYS 4 -14.275 -0.338 3.965
33 HE3 LYS 4 HE1 LYS 4 -14.001 -2.067 4.157
34 HZ1 LYS 4 HZ1 LYS 4 -13.139 -0.780 6.023
35 HZ2 LYS 4 HZ2 LYS 4 -12.117 0.070 5.022
36 HZ3 LYS 4 HZ3 LYS 4 -11.890 -1.591 5.243
37 H LEU 5 HN LEU 5 -9.878 -0.732 -1.394
38 HA LEU 5 HA LEU 5 -7.394 -2.124 -1.563
39 HB2 LEU 5 HB2 LEU 5 -9.111 -0.860 -3.673
40 HB3 LEU 5 HB1 LEU 5 -7.493 -1.408 -4.048
41 HG LEU 5 HG LEU 5 -8.229 -3.688 -3.171
42 HD11 LEU 5 HD11 LEU 5 -10.591 -4.218 -3.265
43 HD12 LEU 5 HD12 LEU 5 -10.967 -2.519 -3.534
44 HD13 LEU 5 HD13 LEU 5 -10.241 -3.030 -2.008
45 HD21 LEU 5 HD21 LEU 5 -9.286 -4.293 -5.305
46 HD22 LEU 5 HD22 LEU 5 -7.854 -3.283 -5.504
47 HD23 LEU 5 HD23 LEU 5 -9.462 -2.575 -5.670
48 H LEU 6 HN LEU 6 -8.296 1.013 -0.996
49 HA LEU 6 HA LEU 6 -6.062 2.347 -2.061
50 HB2 LEU 6 HB2 LEU 6 -8.010 3.611 -1.416
51 HB3 LEU 6 HB1 LEU 6 -7.841 3.157 0.261
52 HG LEU 6 HG LEU 6 -5.685 4.438 0.305
53 HD11 LEU 6 HD11 LEU 6 -5.164 4.406 -2.064
54 HD12 LEU 6 HD12 LEU 6 -5.272 6.065 -1.474
55 HD13 LEU 6 HD13 LEU 6 -6.597 5.375 -2.410
56 HD21 LEU 6 HD21 LEU 6 -6.771 6.638 0.380
57 HD22 LEU 6 HD22 LEU 6 -7.745 5.396 1.170
58 HD23 LEU 6 HD23 LEU 6 -8.176 5.962 -0.444
59 HA PRO 7 HA PRO 7 -3.846 1.629 2.283
60 HB2 PRO 7 HB2 PRO 7 -5.220 -0.908 3.016
61 HB3 PRO 7 HB1 PRO 7 -4.593 0.374 4.065
62 HG2 PRO 7 HG2 PRO 7 -7.192 0.148 3.674
63 HG3 PRO 7 HG1 PRO 7 -6.429 1.750 3.678
64 HD2 PRO 7 HD2 PRO 7 -7.315 0.084 1.358
65 HD3 PRO 7 HD1 PRO 7 -7.496 1.828 1.636
66 H ARG 8 HN ARG 8 -5.060 -0.868 0.172
67 HA ARG 8 HA ARG 8 -2.775 -2.573 0.207
68 HB2 ARG 8 HB2 ARG 8 -4.819 -2.107 -1.964
69 HB3 ARG 8 HB1 ARG 8 -3.645 -3.412 -1.985
70 HG2 ARG 8 HG2 ARG 8 -5.846 -3.058 0.051
71 HG3 ARG 8 HG1 ARG 8 -5.957 -4.075 -1.379
72 HD2 ARG 8 HD2 ARG 8 -5.430 -5.555 0.356
73 HD3 ARG 8 HD1 ARG 8 -3.891 -5.274 -0.447
74 HE ARG 8 HE ARG 8 -4.509 -3.596 1.822
75 HH11 ARG 8 HH11 ARG 8 -2.741 -6.463 0.648
76 HH12 ARG 8 HH12 ARG 8 -1.798 -6.616 2.046
77 HH21 ARG 8 HH21 ARG 8 -3.177 -3.857 3.762
78 HH22 ARG 8 HH22 ARG 8 -2.047 -5.107 3.844
79 H ILE 9 HN ILE 9 -3.855 0.034 -1.965
80 HA ILE 9 HA ILE 9 -1.600 0.231 -3.642
81 HB ILE 9 HB ILE 9 -3.575 2.346 -2.724
82 HG12 ILE 9 HG12 ILE 9 -3.436 0.788 -5.318
83 HG13 ILE 9 HG11 ILE 9 -4.542 0.464 -3.989
84 HG21 ILE 9 HG21 ILE 9 -1.610 3.514 -3.448
85 HG22 ILE 9 HG22 ILE 9 -2.859 3.694 -4.685
86 HG23 ILE 9 HG23 ILE 9 -1.530 2.559 -4.924
87 HD11 ILE 9 HD11 ILE 9 -4.463 2.972 -5.651
88 HD12 ILE 9 HD12 ILE 9 -5.586 2.647 -4.331
89 HD13 ILE 9 HD13 ILE 9 -5.638 1.667 -5.796
90 H LYS 10 HN LYS 10 -2.402 1.673 -0.597
91 HA LYS 10 HA LYS 10 -0.250 3.404 -0.189
92 HB2 LYS 10 HB2 LYS 10 -2.347 3.293 1.162
93 HB3 LYS 10 HB1 LYS 10 -1.771 1.791 1.861
94 HG2 LYS 10 HG2 LYS 10 0.151 3.004 2.788
95 HG3 LYS 10 HG1 LYS 10 -0.543 4.517 2.189
96 HD2 LYS 10 HD2 LYS 10 -2.586 3.998 3.535
97 HD3 LYS 10 HD1 LYS 10 -1.722 2.618 4.214
98 HE2 LYS 10 HE2 LYS 10 -0.975 5.530 4.465
99 HE3 LYS 10 HE1 LYS 10 -1.595 4.488 5.731
100 HZ1 LYS 10 HZ1 LYS 10 0.456 3.163 5.576
101 HZ2 LYS 10 HZ2 LYS 10 0.764 4.772 5.935
102 HZ3 LYS 10 HZ3 LYS 10 1.050 4.217 4.384
103 H LYS 11 HN LYS 11 -0.608 -0.068 0.352
104 HA LYS 11 HA LYS 11 1.911 -0.292 1.668
105 HB2 LYS 11 HB2 LYS 11 0.106 -1.849 2.241
106 HB3 LYS 11 HB1 LYS 11 0.109 -2.472 0.596
107 HG2 LYS 11 HG2 LYS 11 2.409 -3.263 0.906
108 HG3 LYS 11 HG1 LYS 11 2.384 -2.659 2.558
109 HD2 LYS 11 HD2 LYS 11 0.638 -4.212 3.144
110 HD3 LYS 11 HD1 LYS 11 0.508 -4.752 1.467
111 HE2 LYS 11 HE2 LYS 11 1.819 -6.348 2.760
112 HE3 LYS 11 HE1 LYS 11 2.816 -5.553 1.552
113 HZ1 LYS 11 HZ1 LYS 11 2.734 -4.885 4.443
114 HZ2 LYS 11 HZ2 LYS 11 3.670 -4.082 3.307
115 HZ3 LYS 11 HZ3 LYS 11 3.986 -5.685 3.655
116 H LYS 12 HN LYS 12 0.710 -0.678 -1.589
117 HA LYS 12 HA LYS 12 2.817 -2.053 -2.807
118 HB2 LYS 12 HB2 LYS 12 1.226 0.248 -3.970
119 HB3 LYS 12 HB1 LYS 12 2.247 -0.832 -4.895
120 HG2 LYS 12 HG2 LYS 12 -0.249 -1.602 -3.397
121 HG3 LYS 12 HG1 LYS 12 -0.108 -1.385 -5.142
122 HD2 LYS 12 HD2 LYS 12 1.552 -3.215 -5.189
123 HD3 LYS 12 HD1 LYS 12 1.298 -3.457 -3.460
124 HE2 LYS 12 HE2 LYS 12 -1.111 -3.842 -3.939
125 HE3 LYS 12 HE1 LYS 12 -0.732 -3.762 -5.657
126 HZ1 LYS 12 HZ1 LYS 12 0.310 -5.740 -3.719
127 HZ2 LYS 12 HZ2 LYS 12 0.791 -5.663 -5.325
128 HZ3 LYS 12 HZ3 LYS 12 -0.814 -6.032 -4.932
129 H ILE 13 HN ILE 13 2.418 1.379 -2.272
130 HA ILE 13 HA ILE 13 5.065 1.938 -3.236
131 HB ILE 13 HB ILE 13 4.566 4.302 -2.677
132 HG12 ILE 13 HG12 ILE 13 1.866 3.216 -1.810
133 HG13 ILE 13 HG11 ILE 13 3.072 3.909 -0.737
134 HG21 ILE 13 HG21 ILE 13 4.036 3.418 -4.859
135 HG22 ILE 13 HG22 ILE 13 2.804 4.584 -4.370
136 HG23 ILE 13 HG23 ILE 13 2.469 2.854 -4.278
137 HD11 ILE 13 HD11 ILE 13 1.269 5.478 -1.224
138 HD12 ILE 13 HD12 ILE 13 1.635 5.372 -2.946
139 HD13 ILE 13 HD13 ILE 13 2.814 6.068 -1.834
140 H LEU 14 HN LEU 14 3.627 1.270 -0.212
141 HA LEU 14 HA LEU 14 5.576 2.441 1.504
142 HB2 LEU 14 HB2 LEU 14 3.312 1.695 2.244
143 HB3 LEU 14 HB1 LEU 14 3.818 0.052 1.935
144 HG LEU 14 HG LEU 14 5.484 0.206 3.718
145 HD11 LEU 14 HD11 LEU 14 5.440 2.077 5.287
146 HD12 LEU 14 HD12 LEU 14 4.286 2.921 4.261
147 HD13 LEU 14 HD13 LEU 14 5.920 2.603 3.675
148 HD21 LEU 14 HD21 LEU 14 2.665 0.909 4.508
149 HD22 LEU 14 HD22 LEU 14 3.874 0.215 5.585
150 HD23 LEU 14 HD23 LEU 14 3.296 -0.707 4.195
151 H ALA 15 HN ALA 15 5.163 -0.658 -0.069
152 HA ALA 15 HA ALA 15 7.337 -1.983 1.130
153 HB1 ALA 15 HB1 ALA 15 7.062 -3.628 -0.635
154 HB2 ALA 15 HB2 ALA 15 6.046 -2.500 -1.535
155 HB3 ALA 15 HB3 ALA 15 5.491 -3.143 0.008
156 H ALA 16 HN ALA 16 7.138 0.336 -1.345
157 HA ALA 16 HA ALA 16 9.770 -0.256 -2.393
158 HB1 ALA 16 HB1 ALA 16 7.859 1.970 -3.075
159 HB2 ALA 16 HB2 ALA 16 7.995 0.431 -3.922
160 HB3 ALA 16 HB3 ALA 16 9.340 1.572 -3.946
161 H ALA 17 HN ALA 17 8.153 2.507 -0.819
162 HA ALA 17 HA ALA 17 10.517 4.038 -0.517
163 HB1 ALA 17 HB1 ALA 17 9.176 5.532 0.838
164 HB2 ALA 17 HB2 ALA 17 7.909 4.309 0.963
165 HB3 ALA 17 HB3 ALA 17 8.287 5.033 -0.600
166 H PHE 18 HN PHE 18 8.928 1.741 1.589
167 HA PHE 18 HA PHE 18 10.955 2.250 3.656
168 HB2 PHE 18 HB2 PHE 18 8.499 2.575 4.248
169 HB3 PHE 18 HB1 PHE 18 8.247 0.882 3.896
170 HD1 PHE 18 HD1 PHE 18 9.342 -0.837 5.398
171 HD2 PHE 18 HD2 PHE 18 9.300 3.316 6.312
172 HE1 PHE 18 HE1 PHE 18 9.813 -1.354 7.746
173 HE2 PHE 18 HE2 PHE 18 9.786 2.806 8.662
174 HZ PHE 18 HZ PHE 18 10.043 0.467 9.387
175 H LYS 19 HN LYS 19 12.143 0.387 4.333
176 HA LYS 19 HA LYS 19 11.913 -1.818 2.421
177 HB2 LYS 19 HB2 LYS 19 14.309 -1.049 4.098
178 HB3 LYS 19 HB1 LYS 19 14.260 -2.291 2.858
179 HG2 LYS 19 HG2 LYS 19 13.986 0.681 2.444
180 HG3 LYS 19 HG1 LYS 19 15.372 -0.324 2.023
181 HD2 LYS 19 HD2 LYS 19 13.970 -1.543 0.405
182 HD3 LYS 19 HD1 LYS 19 12.600 -0.515 0.828
183 HE2 LYS 19 HE2 LYS 19 13.885 1.456 0.098
184 HE3 LYS 19 HE1 LYS 19 15.204 0.397 -0.391
185 HZ1 LYS 19 HZ1 LYS 19 13.913 0.929 -2.287
186 HZ2 LYS 19 HZ2 LYS 19 12.477 0.517 -1.509
187 HZ3 LYS 19 HZ3 LYS 19 13.575 -0.689 -1.916
Start of MODEL 6
1 H2 PRO 1 HT1 PRO 1 -17.842 4.078 4.909
2 H3 PRO 1 HT2 PRO 1 -16.817 4.504 3.531
3 HA PRO 1 HA PRO 1 -15.897 2.910 5.813
4 HB2 PRO 1 HB2 PRO 1 -16.267 1.408 3.353
5 HB3 PRO 1 HB1 PRO 1 -16.829 1.011 4.980
6 HG2 PRO 1 HG2 PRO 1 -18.529 1.757 3.008
7 HG3 PRO 1 HG1 PRO 1 -18.825 2.131 4.715
8 HD2 PRO 1 HD2 PRO 1 -17.756 3.832 2.532
9 HD3 PRO 1 HD1 PRO 1 -18.917 4.291 3.761
10 H MET 2 HN MET 2 -13.815 1.928 5.201
11 HA MET 2 HA MET 2 -12.431 3.705 3.462
12 HB2 MET 2 HB2 MET 2 -11.539 1.414 5.183
13 HB3 MET 2 HB1 MET 2 -10.438 2.349 4.182
14 HG2 MET 2 HG2 MET 2 -12.193 3.470 6.340
15 HG3 MET 2 HG1 MET 2 -10.482 3.104 6.514
16 HE1 MET 2 HE1 MET 2 -10.092 5.655 7.343
17 HE2 MET 2 HE2 MET 2 -11.816 5.965 7.144
18 HE3 MET 2 HE3 MET 2 -10.633 7.064 6.431
19 H ALA 3 HN ALA 3 -11.904 3.368 1.474
20 HA ALA 3 HA ALA 3 -12.796 1.100 0.023
21 HB1 ALA 3 HB1 ALA 3 -10.866 3.305 -0.735
22 HB2 ALA 3 HB2 ALA 3 -12.603 3.299 -1.036
23 HB3 ALA 3 HB3 ALA 3 -11.561 2.150 -1.868
24 H LYS 4 HN LYS 4 -11.863 -0.851 0.176
25 HA LYS 4 HA LYS 4 -9.544 -1.343 1.563
26 HB2 LYS 4 HB2 LYS 4 -11.166 -3.057 -0.273
27 HB3 LYS 4 HB1 LYS 4 -9.974 -3.641 0.889
28 HG2 LYS 4 HG2 LYS 4 -11.237 -2.836 2.727
29 HG3 LYS 4 HG1 LYS 4 -12.347 -1.969 1.669
30 HD2 LYS 4 HD2 LYS 4 -13.155 -4.037 0.771
31 HD3 LYS 4 HD1 LYS 4 -11.939 -4.910 1.709
32 HE2 LYS 4 HE2 LYS 4 -13.002 -4.124 3.790
33 HE3 LYS 4 HE1 LYS 4 -14.185 -3.230 2.843
34 HZ1 LYS 4 HZ1 LYS 4 -15.112 -5.265 3.635
35 HZ2 LYS 4 HZ2 LYS 4 -13.893 -6.185 2.938
36 HZ3 LYS 4 HZ3 LYS 4 -14.993 -5.346 1.960
37 H LEU 5 HN LEU 5 -9.909 -0.621 -1.790
38 HA LEU 5 HA LEU 5 -7.507 -1.911 -2.643
39 HB2 LEU 5 HB2 LEU 5 -9.079 0.339 -3.885
40 HB3 LEU 5 HB1 LEU 5 -7.692 -0.413 -4.642
41 HG LEU 5 HG LEU 5 -10.273 -1.831 -3.962
42 HD11 LEU 5 HD11 LEU 5 -10.648 -1.842 -6.370
43 HD12 LEU 5 HD12 LEU 5 -9.185 -0.883 -6.606
44 HD13 LEU 5 HD13 LEU 5 -10.562 -0.196 -5.743
45 HD21 LEU 5 HD21 LEU 5 -9.349 -3.622 -5.357
46 HD22 LEU 5 HD22 LEU 5 -8.379 -3.343 -3.918
47 HD23 LEU 5 HD23 LEU 5 -7.828 -2.736 -5.483
48 H LEU 6 HN LEU 6 -8.228 1.123 -1.168
49 HA LEU 6 HA LEU 6 -5.874 2.446 -1.991
50 HB2 LEU 6 HB2 LEU 6 -7.682 3.075 0.318
51 HB3 LEU 6 HB1 LEU 6 -6.383 4.111 -0.238
52 HG LEU 6 HG LEU 6 -8.858 3.357 -1.778
53 HD11 LEU 6 HD11 LEU 6 -7.971 5.938 -0.514
54 HD12 LEU 6 HD12 LEU 6 -9.318 4.916 -0.005
55 HD13 LEU 6 HD13 LEU 6 -9.377 5.749 -1.558
56 HD21 LEU 6 HD21 LEU 6 -8.062 4.976 -3.449
57 HD22 LEU 6 HD22 LEU 6 -6.970 3.609 -3.294
58 HD23 LEU 6 HD23 LEU 6 -6.552 5.157 -2.554
59 HA PRO 7 HA PRO 7 -3.940 1.204 2.310
60 HB2 PRO 7 HB2 PRO 7 -5.209 -1.447 2.671
61 HB3 PRO 7 HB1 PRO 7 -4.782 -0.237 3.884
62 HG2 PRO 7 HG2 PRO 7 -7.315 -0.630 3.195
63 HG3 PRO 7 HG1 PRO 7 -6.705 1.005 3.514
64 HD2 PRO 7 HD2 PRO 7 -7.231 -0.358 0.912
65 HD3 PRO 7 HD1 PRO 7 -7.574 1.312 1.392
66 H ARG 8 HN ARG 8 -4.975 -0.981 -0.201
67 HA ARG 8 HA ARG 8 -2.676 -2.670 -0.097
68 HB2 ARG 8 HB2 ARG 8 -4.524 -2.177 -2.439
69 HB3 ARG 8 HB1 ARG 8 -3.418 -3.531 -2.254
70 HG2 ARG 8 HG2 ARG 8 -4.702 -4.313 -0.329
71 HG3 ARG 8 HG1 ARG 8 -5.809 -2.952 -0.526
72 HD2 ARG 8 HD2 ARG 8 -6.842 -4.829 -1.537
73 HD3 ARG 8 HD1 ARG 8 -6.267 -3.794 -2.841
74 HE ARG 8 HE ARG 8 -4.534 -5.942 -1.976
75 HH11 ARG 8 HH11 ARG 8 -6.623 -4.639 -4.499
76 HH12 ARG 8 HH12 ARG 8 -6.394 -5.960 -5.561
77 HH21 ARG 8 HH21 ARG 8 -4.223 -7.741 -3.444
78 HH22 ARG 8 HH22 ARG 8 -4.992 -7.754 -4.954
79 H ILE 9 HN ILE 9 -3.653 0.111 -2.049
80 HA ILE 9 HA ILE 9 -1.284 0.323 -3.551
81 HB ILE 9 HB ILE 9 -3.217 2.526 -2.730
82 HG12 ILE 9 HG12 ILE 9 -3.064 0.898 -5.284
83 HG13 ILE 9 HG11 ILE 9 -4.256 0.680 -4.012
84 HG21 ILE 9 HG21 ILE 9 -1.125 2.522 -4.920
85 HG22 ILE 9 HG22 ILE 9 -1.072 3.471 -3.433
86 HG23 ILE 9 HG23 ILE 9 -2.314 3.795 -4.641
87 HD11 ILE 9 HD11 ILE 9 -5.123 2.927 -4.453
88 HD12 ILE 9 HD12 ILE 9 -5.185 1.904 -5.888
89 HD13 ILE 9 HD13 ILE 9 -3.926 3.130 -5.733
90 H LYS 10 HN LYS 10 -2.262 1.706 -0.455
91 HA LYS 10 HA LYS 10 0.082 3.218 -0.053
92 HB2 LYS 10 HB2 LYS 10 -1.930 2.194 1.943
93 HB3 LYS 10 HB1 LYS 10 -0.612 3.281 2.356
94 HG2 LYS 10 HG2 LYS 10 -1.509 4.939 0.768
95 HG3 LYS 10 HG1 LYS 10 -2.861 3.854 0.437
96 HD2 LYS 10 HD2 LYS 10 -3.529 3.959 2.782
97 HD3 LYS 10 HD1 LYS 10 -2.154 5.003 3.131
98 HE2 LYS 10 HE2 LYS 10 -4.177 6.327 2.925
99 HE3 LYS 10 HE1 LYS 10 -3.066 6.701 1.611
100 HZ1 LYS 10 HZ1 LYS 10 -5.402 4.899 1.428
101 HZ2 LYS 10 HZ2 LYS 10 -4.386 5.364 0.130
102 HZ3 LYS 10 HZ3 LYS 10 -5.357 6.495 0.907
103 H LYS 11 HN LYS 11 -0.719 -0.077 0.602
104 HA LYS 11 HA LYS 11 1.538 -0.710 2.207
105 HB2 LYS 11 HB2 LYS 11 -0.511 -2.023 2.234
106 HB3 LYS 11 HB1 LYS 11 -0.316 -2.420 0.540
107 HG2 LYS 11 HG2 LYS 11 1.634 -3.754 1.035
108 HG3 LYS 11 HG1 LYS 11 1.559 -3.283 2.732
109 HD2 LYS 11 HD2 LYS 11 -0.599 -4.801 1.261
110 HD3 LYS 11 HD1 LYS 11 0.615 -5.538 2.308
111 HE2 LYS 11 HE2 LYS 11 -0.231 -4.209 4.201
112 HE3 LYS 11 HE1 LYS 11 -1.452 -3.495 3.151
113 HZ1 LYS 11 HZ1 LYS 11 -2.417 -5.673 2.835
114 HZ2 LYS 11 HZ2 LYS 11 -2.338 -5.319 4.472
115 HZ3 LYS 11 HZ3 LYS 11 -1.230 -6.377 3.793
116 H LYS 12 HN LYS 12 0.778 -0.893 -1.228
117 HA LYS 12 HA LYS 12 3.157 -2.081 -2.081
118 HB2 LYS 12 HB2 LYS 12 1.244 -0.230 -3.497
119 HB3 LYS 12 HB1 LYS 12 2.615 -0.993 -4.288
120 HG2 LYS 12 HG2 LYS 12 1.700 -3.182 -3.896
121 HG3 LYS 12 HG1 LYS 12 0.400 -2.502 -2.916
122 HD2 LYS 12 HD2 LYS 12 -0.356 -3.092 -5.190
123 HD3 LYS 12 HD1 LYS 12 -0.510 -1.367 -4.870
124 HE2 LYS 12 HE2 LYS 12 1.543 -0.944 -6.105
125 HE3 LYS 12 HE1 LYS 12 1.749 -2.673 -6.372
126 HZ1 LYS 12 HZ1 LYS 12 0.785 -1.470 -8.276
127 HZ2 LYS 12 HZ2 LYS 12 -0.571 -1.087 -7.357
128 HZ3 LYS 12 HZ3 LYS 12 -0.214 -2.695 -7.722
129 H ILE 13 HN ILE 13 2.260 1.366 -1.975
130 HA ILE 13 HA ILE 13 4.791 2.244 -2.874
131 HB ILE 13 HB ILE 13 4.127 4.519 -2.221
132 HG12 ILE 13 HG12 ILE 13 1.707 3.186 -1.030
133 HG13 ILE 13 HG11 ILE 13 2.997 3.922 -0.094
134 HG21 ILE 13 HG21 ILE 13 2.112 4.703 -3.613
135 HG22 ILE 13 HG22 ILE 13 1.932 2.949 -3.554
136 HG23 ILE 13 HG23 ILE 13 3.343 3.665 -4.331
137 HD11 ILE 13 HD11 ILE 13 2.423 6.111 -1.073
138 HD12 ILE 13 HD12 ILE 13 1.076 5.394 -0.187
139 HD13 ILE 13 HD13 ILE 13 1.099 5.345 -1.953
140 H LEU 14 HN LEU 14 3.597 1.558 0.351
141 HA LEU 14 HA LEU 14 5.660 2.859 1.778
142 HB2 LEU 14 HB2 LEU 14 3.578 2.078 2.834
143 HB3 LEU 14 HB1 LEU 14 4.049 0.418 2.543
144 HG LEU 14 HG LEU 14 6.009 0.771 4.042
145 HD11 LEU 14 HD11 LEU 14 5.986 2.689 5.569
146 HD12 LEU 14 HD12 LEU 14 4.649 3.388 4.655
147 HD13 LEU 14 HD13 LEU 14 6.222 3.174 3.889
148 HD21 LEU 14 HD21 LEU 14 3.287 1.245 5.257
149 HD22 LEU 14 HD22 LEU 14 4.712 0.678 6.125
150 HD23 LEU 14 HD23 LEU 14 3.996 -0.319 4.858
151 H ALA 15 HN ALA 15 5.276 -0.400 0.540
152 HA ALA 15 HA ALA 15 7.766 -1.348 1.547
153 HB1 ALA 15 HB1 ALA 15 5.901 -2.856 1.130
154 HB2 ALA 15 HB2 ALA 15 7.310 -3.330 0.175
155 HB3 ALA 15 HB3 ALA 15 5.971 -2.475 -0.587
156 H ALA 16 HN ALA 16 6.663 -0.022 -1.516
157 HA ALA 16 HA ALA 16 8.990 -0.583 -3.009
158 HB1 ALA 16 HB1 ALA 16 6.989 1.637 -3.421
159 HB2 ALA 16 HB2 ALA 16 6.844 -0.003 -4.052
160 HB3 ALA 16 HB3 ALA 16 8.145 1.048 -4.615
161 H ALA 17 HN ALA 17 8.023 2.219 -1.081
162 HA ALA 17 HA ALA 17 10.375 3.714 -1.723
163 HB1 ALA 17 HB1 ALA 17 9.578 5.270 -0.008
164 HB2 ALA 17 HB2 ALA 17 8.335 4.109 0.459
165 HB3 ALA 17 HB3 ALA 17 8.311 4.834 -1.150
166 H PHE 18 HN PHE 18 9.743 1.163 0.366
167 HA PHE 18 HA PHE 18 11.723 1.868 2.337
168 HB2 PHE 18 HB2 PHE 18 9.647 0.492 2.850
169 HB3 PHE 18 HB1 PHE 18 10.355 -0.802 1.897
170 HD1 PHE 18 HD1 PHE 18 10.583 1.124 4.995
171 HD2 PHE 18 HD2 PHE 18 12.174 -2.135 2.770
172 HE1 PHE 18 HE1 PHE 18 11.740 0.320 7.007
173 HE2 PHE 18 HE2 PHE 18 13.332 -2.940 4.779
174 HZ PHE 18 HZ PHE 18 13.110 -1.711 6.904
175 H LYS 19 HN LYS 19 13.679 1.975 1.444
176 HA LYS 19 HA LYS 19 14.669 -0.386 0.080
177 HB2 LYS 19 HB2 LYS 19 14.139 1.337 -1.603
178 HB3 LYS 19 HB1 LYS 19 15.144 2.490 -0.742
179 HG2 LYS 19 HG2 LYS 19 17.123 1.236 -1.260
180 HG3 LYS 19 HG1 LYS 19 16.159 -0.065 -1.958
181 HD2 LYS 19 HD2 LYS 19 15.349 1.463 -3.694
182 HD3 LYS 19 HD1 LYS 19 16.308 2.766 -2.993
183 HE2 LYS 19 HE2 LYS 19 17.384 1.730 -4.956
184 HE3 LYS 19 HE1 LYS 19 18.357 1.587 -3.496
185 HZ1 LYS 19 HZ1 LYS 19 18.265 -0.472 -4.830
186 HZ2 LYS 19 HZ2 LYS 19 16.612 -0.601 -4.548
187 HZ3 LYS 19 HZ3 LYS 19 17.694 -0.694 -3.273
Start of MODEL 7
1 H2 PRO 1 HT1 PRO 1 -17.762 0.725 -6.483
2 H3 PRO 1 HT2 PRO 1 -16.844 -0.556 -5.705
3 HA PRO 1 HA PRO 1 -16.059 2.273 -5.835
4 HB2 PRO 1 HB2 PRO 1 -16.849 1.305 -3.202
5 HB3 PRO 1 HB1 PRO 1 -17.315 2.796 -4.035
6 HG2 PRO 1 HG2 PRO 1 -19.038 0.728 -3.683
7 HG3 PRO 1 HG1 PRO 1 -19.114 1.812 -5.080
8 HD2 PRO 1 HD2 PRO 1 -18.044 -0.938 -4.840
9 HD3 PRO 1 HD1 PRO 1 -18.930 -0.249 -6.182
10 H MET 2 HN MET 2 -13.900 2.131 -5.800
11 HA MET 2 HA MET 2 -12.527 -0.100 -4.655
12 HB2 MET 2 HB2 MET 2 -11.463 2.537 -5.687
13 HB3 MET 2 HB1 MET 2 -10.458 1.195 -5.168
14 HG2 MET 2 HG2 MET 2 -11.381 -0.188 -6.948
15 HG3 MET 2 HG1 MET 2 -12.407 1.154 -7.458
16 HE1 MET 2 HE1 MET 2 -11.479 0.912 -9.934
17 HE2 MET 2 HE2 MET 2 -10.457 -0.426 -9.412
18 HE3 MET 2 HE3 MET 2 -9.761 0.900 -10.339
19 H ALA 3 HN ALA 3 -12.945 -0.208 -2.551
20 HA ALA 3 HA ALA 3 -12.027 2.041 -0.897
21 HB1 ALA 3 HB1 ALA 3 -14.415 1.583 -0.638
22 HB2 ALA 3 HB2 ALA 3 -13.527 1.250 0.852
23 HB3 ALA 3 HB3 ALA 3 -14.045 -0.080 -0.180
24 H LYS 4 HN LYS 4 -11.924 -1.434 -1.387
25 HA LYS 4 HA LYS 4 -10.293 -1.880 0.939
26 HB2 LYS 4 HB2 LYS 4 -11.190 -3.702 -1.293
27 HB3 LYS 4 HB1 LYS 4 -10.065 -4.229 -0.059
28 HG2 LYS 4 HG2 LYS 4 -12.284 -5.017 0.467
29 HG3 LYS 4 HG1 LYS 4 -11.797 -3.820 1.658
30 HD2 LYS 4 HD2 LYS 4 -13.172 -2.141 0.551
31 HD3 LYS 4 HD1 LYS 4 -13.606 -3.300 -0.706
32 HE2 LYS 4 HE2 LYS 4 -14.707 -4.704 0.943
33 HE3 LYS 4 HE1 LYS 4 -14.222 -3.602 2.228
34 HZ1 LYS 4 HZ1 LYS 4 -15.584 -1.895 1.268
35 HZ2 LYS 4 HZ2 LYS 4 -16.524 -3.263 1.523
36 HZ3 LYS 4 HZ3 LYS 4 -16.013 -2.878 -0.034
37 H LEU 5 HN LEU 5 -9.787 -1.209 -2.379
38 HA LEU 5 HA LEU 5 -7.081 -2.151 -2.475
39 HB2 LEU 5 HB2 LEU 5 -8.595 -0.304 -4.323
40 HB3 LEU 5 HB1 LEU 5 -6.927 -0.750 -4.582
41 HG LEU 5 HG LEU 5 -7.685 -3.145 -4.768
42 HD11 LEU 5 HD11 LEU 5 -9.809 -2.979 -3.610
43 HD12 LEU 5 HD12 LEU 5 -10.014 -3.587 -5.253
44 HD13 LEU 5 HD13 LEU 5 -10.423 -1.912 -4.876
45 HD21 LEU 5 HD21 LEU 5 -7.172 -1.813 -6.724
46 HD22 LEU 5 HD22 LEU 5 -8.815 -1.172 -6.739
47 HD23 LEU 5 HD23 LEU 5 -8.536 -2.885 -7.044
48 H LEU 6 HN LEU 6 -8.567 0.578 -1.206
49 HA LEU 6 HA LEU 6 -6.632 2.528 -1.732
50 HB2 LEU 6 HB2 LEU 6 -8.650 2.455 0.513
51 HB3 LEU 6 HB1 LEU 6 -7.681 3.844 0.063
52 HG LEU 6 HG LEU 6 -9.698 2.503 -1.731
53 HD11 LEU 6 HD11 LEU 6 -11.086 4.440 -1.327
54 HD12 LEU 6 HD12 LEU 6 -9.901 5.083 -0.196
55 HD13 LEU 6 HD13 LEU 6 -10.755 3.585 0.176
56 HD21 LEU 6 HD21 LEU 6 -7.922 3.599 -2.988
57 HD22 LEU 6 HD22 LEU 6 -8.139 5.068 -2.039
58 HD23 LEU 6 HD23 LEU 6 -9.423 4.514 -3.110
59 HA PRO 7 HA PRO 7 -4.434 1.572 2.420
60 HB2 PRO 7 HB2 PRO 7 -5.240 -1.195 3.069
61 HB3 PRO 7 HB1 PRO 7 -5.114 0.203 4.140
62 HG2 PRO 7 HG2 PRO 7 -7.497 -0.802 3.461
63 HG3 PRO 7 HG1 PRO 7 -7.252 0.945 3.637
64 HD2 PRO 7 HD2 PRO 7 -7.347 -0.706 1.139
65 HD3 PRO 7 HD1 PRO 7 -8.119 0.855 1.482
66 H ARG 8 HN ARG 8 -5.271 -1.042 0.255
67 HA ARG 8 HA ARG 8 -2.878 -2.515 0.409
68 HB2 ARG 8 HB2 ARG 8 -4.836 -2.389 -1.878
69 HB3 ARG 8 HB1 ARG 8 -3.581 -3.600 -1.677
70 HG2 ARG 8 HG2 ARG 8 -4.677 -4.269 0.465
71 HG3 ARG 8 HG1 ARG 8 -5.983 -3.157 0.072
72 HD2 ARG 8 HD2 ARG 8 -6.568 -5.425 -0.589
73 HD3 ARG 8 HD1 ARG 8 -6.407 -4.388 -2.005
74 HE ARG 8 HE ARG 8 -3.945 -5.482 -1.748
75 HH11 ARG 8 HH11 ARG 8 -7.172 -6.921 -1.970
76 HH12 ARG 8 HH12 ARG 8 -6.615 -8.334 -2.745
77 HH21 ARG 8 HH21 ARG 8 -3.200 -7.408 -2.744
78 HH22 ARG 8 HH22 ARG 8 -4.317 -8.628 -3.182
79 H ILE 9 HN ILE 9 -3.900 -0.023 -1.912
80 HA ILE 9 HA ILE 9 -1.565 -0.200 -3.468
81 HB ILE 9 HB ILE 9 -3.579 0.882 -4.377
82 HG12 ILE 9 HG12 ILE 9 -1.253 2.820 -4.234
83 HG13 ILE 9 HG11 ILE 9 -1.404 1.473 -5.354
84 HG21 ILE 9 HG21 ILE 9 -4.260 3.136 -3.701
85 HG22 ILE 9 HG22 ILE 9 -3.063 3.099 -2.406
86 HG23 ILE 9 HG23 ILE 9 -4.418 1.971 -2.385
87 HD11 ILE 9 HD11 ILE 9 -1.929 3.599 -6.420
88 HD12 ILE 9 HD12 ILE 9 -3.217 3.876 -5.245
89 HD13 ILE 9 HD13 ILE 9 -3.336 2.539 -6.387
90 H LYS 10 HN LYS 10 -2.293 1.620 -0.588
91 HA LYS 10 HA LYS 10 0.015 3.260 -0.657
92 HB2 LYS 10 HB2 LYS 10 -1.737 2.444 1.655
93 HB3 LYS 10 HB1 LYS 10 -0.445 3.633 1.765
94 HG2 LYS 10 HG2 LYS 10 -1.591 5.030 0.126
95 HG3 LYS 10 HG1 LYS 10 -2.885 3.834 0.019
96 HD2 LYS 10 HD2 LYS 10 -3.387 4.151 2.381
97 HD3 LYS 10 HD1 LYS 10 -2.071 5.316 2.517
98 HE2 LYS 10 HE2 LYS 10 -4.218 6.435 2.315
99 HE3 LYS 10 HE1 LYS 10 -3.191 6.779 0.926
100 HZ1 LYS 10 HZ1 LYS 10 -4.441 5.197 -0.381
101 HZ2 LYS 10 HZ2 LYS 10 -5.528 6.276 0.325
102 HZ3 LYS 10 HZ3 LYS 10 -5.336 4.728 0.963
103 H LYS 11 HN LYS 11 -0.650 0.080 0.628
104 HA LYS 11 HA LYS 11 1.758 -0.263 2.046
105 HB2 LYS 11 HB2 LYS 11 0.054 -2.332 0.662
106 HB3 LYS 11 HB1 LYS 11 1.390 -2.707 1.732
107 HG2 LYS 11 HG2 LYS 11 0.208 -1.604 3.570
108 HG3 LYS 11 HG1 LYS 11 -1.142 -1.268 2.482
109 HD2 LYS 11 HD2 LYS 11 -1.416 -3.671 2.092
110 HD3 LYS 11 HD1 LYS 11 -0.084 -3.999 3.196
111 HE2 LYS 11 HE2 LYS 11 -2.677 -2.639 3.915
112 HE3 LYS 11 HE1 LYS 11 -2.260 -4.315 4.260
113 HZ1 LYS 11 HZ1 LYS 11 -0.464 -3.557 5.676
114 HZ2 LYS 11 HZ2 LYS 11 -1.916 -2.842 6.174
115 HZ3 LYS 11 HZ3 LYS 11 -0.802 -1.955 5.305
116 H LYS 12 HN LYS 12 0.972 -0.505 -1.318
117 HA LYS 12 HA LYS 12 3.357 -1.892 -2.118
118 HB2 LYS 12 HB2 LYS 12 1.646 -0.110 -3.849
119 HB3 LYS 12 HB1 LYS 12 2.699 -1.411 -4.383
120 HG2 LYS 12 HG2 LYS 12 0.120 -1.679 -2.852
121 HG3 LYS 12 HG1 LYS 12 0.393 -2.085 -4.545
122 HD2 LYS 12 HD2 LYS 12 1.934 -3.847 -3.885
123 HD3 LYS 12 HD1 LYS 12 1.729 -3.409 -2.186
124 HE2 LYS 12 HE2 LYS 12 -0.659 -3.932 -2.347
125 HE3 LYS 12 HE1 LYS 12 -0.429 -4.378 -4.037
126 HZ1 LYS 12 HZ1 LYS 12 -0.479 -6.298 -2.615
127 HZ2 LYS 12 HZ2 LYS 12 0.819 -5.714 -1.708
128 HZ3 LYS 12 HZ3 LYS 12 1.045 -6.133 -3.335
129 H ILE 13 HN ILE 13 2.309 1.432 -1.906
130 HA ILE 13 HA ILE 13 4.578 2.672 -3.059
131 HB ILE 13 HB ILE 13 2.672 3.777 -0.960
132 HG12 ILE 13 HG12 ILE 13 2.525 4.034 -3.974
133 HG13 ILE 13 HG11 ILE 13 1.540 2.933 -3.020
134 HG21 ILE 13 HG21 ILE 13 3.325 5.986 -1.832
135 HG22 ILE 13 HG22 ILE 13 4.476 5.211 -2.921
136 HG23 ILE 13 HG23 ILE 13 4.710 5.110 -1.176
137 HD11 ILE 13 HD11 ILE 13 0.530 4.846 -1.875
138 HD12 ILE 13 HD12 ILE 13 0.306 4.937 -3.621
139 HD13 ILE 13 HD13 ILE 13 1.531 5.933 -2.835
140 H LEU 14 HN LEU 14 3.626 1.885 0.240
141 HA LEU 14 HA LEU 14 5.914 2.813 1.547
142 HB2 LEU 14 HB2 LEU 14 3.847 2.261 2.719
143 HB3 LEU 14 HB1 LEU 14 4.025 0.577 2.284
144 HG LEU 14 HG LEU 14 6.043 0.431 3.699
145 HD11 LEU 14 HD11 LEU 14 5.363 3.265 4.470
146 HD12 LEU 14 HD12 LEU 14 6.795 2.739 3.579
147 HD13 LEU 14 HD13 LEU 14 6.567 2.244 5.255
148 HD21 LEU 14 HD21 LEU 14 4.889 0.563 5.846
149 HD22 LEU 14 HD22 LEU 14 3.862 -0.159 4.609
150 HD23 LEU 14 HD23 LEU 14 3.605 1.514 5.101
151 H ALA 15 HN ALA 15 5.116 -0.351 0.157
152 HA ALA 15 HA ALA 15 7.473 -1.679 0.946
153 HB1 ALA 15 HB1 ALA 15 5.436 -2.866 0.280
154 HB2 ALA 15 HB2 ALA 15 6.833 -3.401 -0.658
155 HB3 ALA 15 HB3 ALA 15 5.657 -2.306 -1.378
156 H ALA 16 HN ALA 16 6.930 0.605 -1.509
157 HA ALA 16 HA ALA 16 9.120 -0.179 -3.168
158 HB1 ALA 16 HB1 ALA 16 8.815 1.994 -4.256
159 HB2 ALA 16 HB2 ALA 16 7.713 2.484 -2.970
160 HB3 ALA 16 HB3 ALA 16 7.269 1.169 -4.054
161 H ALA 17 HN ALA 17 8.629 2.173 -0.591
162 HA ALA 17 HA ALA 17 11.385 3.081 -0.711
163 HB1 ALA 17 HB1 ALA 17 10.759 4.486 1.190
164 HB2 ALA 17 HB2 ALA 17 9.195 3.675 1.278
165 HB3 ALA 17 HB3 ALA 17 9.604 4.655 -0.129
166 H PHE 18 HN PHE 18 9.323 1.292 1.503
167 HA PHE 18 HA PHE 18 11.575 0.551 3.151
168 HB2 PHE 18 HB2 PHE 18 9.665 1.230 4.404
169 HB3 PHE 18 HB1 PHE 18 8.580 0.272 3.408
170 HD1 PHE 18 HD1 PHE 18 7.801 -1.694 4.269
171 HD2 PHE 18 HD2 PHE 18 11.529 -0.197 5.641
172 HE1 PHE 18 HE1 PHE 18 7.955 -3.558 5.852
173 HE2 PHE 18 HE2 PHE 18 11.691 -2.058 7.233
174 HZ PHE 18 HZ PHE 18 9.903 -3.744 7.338
175 H LYS 19 HN LYS 19 12.553 -1.294 2.904
176 HA LYS 19 HA LYS 19 11.464 -3.219 1.007
177 HB2 LYS 19 HB2 LYS 19 14.240 -3.011 2.197
178 HB3 LYS 19 HB1 LYS 19 13.742 -4.073 0.893
179 HG2 LYS 19 HG2 LYS 19 13.828 -1.061 0.767
180 HG3 LYS 19 HG1 LYS 19 15.031 -2.146 0.083
181 HD2 LYS 19 HD2 LYS 19 13.214 -3.121 -1.341
182 HD3 LYS 19 HD1 LYS 19 12.141 -1.859 -0.734
183 HE2 LYS 19 HE2 LYS 19 14.732 -1.392 -2.217
184 HE3 LYS 19 HE1 LYS 19 13.124 -1.286 -2.924
185 HZ1 LYS 19 HZ1 LYS 19 14.076 0.426 -0.685
186 HZ2 LYS 19 HZ2 LYS 19 12.634 0.613 -1.581
187 HZ3 LYS 19 HZ3 LYS 19 14.128 0.854 -2.301
Start of MODEL 8
1 H2 PRO 1 HT1 PRO 1 -17.543 5.630 2.968
2 H3 PRO 1 HT2 PRO 1 -17.013 4.903 1.469
3 HA PRO 1 HA PRO 1 -15.692 4.695 4.094
4 HB2 PRO 1 HB2 PRO 1 -16.214 2.162 3.178
5 HB3 PRO 1 HB1 PRO 1 -17.226 3.031 4.341
6 HG2 PRO 1 HG2 PRO 1 -17.582 2.732 1.387
7 HG3 PRO 1 HG1 PRO 1 -18.806 2.698 2.670
8 HD2 PRO 1 HD2 PRO 1 -18.525 4.851 1.153
9 HD3 PRO 1 HD1 PRO 1 -18.877 4.968 2.866
10 H MET 2 HN MET 2 -13.704 3.715 3.995
11 HA MET 2 HA MET 2 -12.319 3.985 1.492
12 HB2 MET 2 HB2 MET 2 -11.359 3.043 4.195
13 HB3 MET 2 HB1 MET 2 -10.330 3.372 2.811
14 HG2 MET 2 HG2 MET 2 -11.007 5.730 2.889
15 HG3 MET 2 HG1 MET 2 -12.007 5.382 4.297
16 HE1 MET 2 HE1 MET 2 -9.335 4.409 6.998
17 HE2 MET 2 HE2 MET 2 -10.165 3.297 5.917
18 HE3 MET 2 HE3 MET 2 -11.051 4.632 6.657
19 H ALA 3 HN ALA 3 -12.148 2.400 0.106
20 HA ALA 3 HA ALA 3 -12.827 -0.296 0.800
21 HB1 ALA 3 HB1 ALA 3 -11.704 0.890 -1.747
22 HB2 ALA 3 HB2 ALA 3 -13.410 0.607 -1.405
23 HB3 ALA 3 HB3 ALA 3 -12.306 -0.755 -1.569
24 H LYS 4 HN LYS 4 -11.314 -2.076 0.759
25 HA LYS 4 HA LYS 4 -8.938 -1.645 2.107
26 HB2 LYS 4 HB2 LYS 4 -9.693 -3.976 0.379
27 HB3 LYS 4 HB1 LYS 4 -8.603 -3.976 1.759
28 HG2 LYS 4 HG2 LYS 4 -10.400 -3.546 3.269
29 HG3 LYS 4 HG1 LYS 4 -11.532 -3.326 1.936
30 HD2 LYS 4 HD2 LYS 4 -11.088 -5.629 1.238
31 HD3 LYS 4 HD1 LYS 4 -10.028 -5.763 2.645
32 HE2 LYS 4 HE2 LYS 4 -12.223 -6.751 3.098
33 HE3 LYS 4 HE1 LYS 4 -11.944 -5.345 4.123
34 HZ1 LYS 4 HZ1 LYS 4 -14.175 -5.347 3.187
35 HZ2 LYS 4 HZ2 LYS 4 -13.563 -5.363 1.624
36 HZ3 LYS 4 HZ3 LYS 4 -13.302 -4.034 2.620
37 H LEU 5 HN LEU 5 -9.690 -1.683 -1.214
38 HA LEU 5 HA LEU 5 -7.379 -2.263 -2.552
39 HB2 LEU 5 HB2 LEU 5 -9.703 -1.775 -3.416
40 HB3 LEU 5 HB1 LEU 5 -9.348 -0.079 -3.236
41 HG LEU 5 HG LEU 5 -7.842 -1.930 -5.085
42 HD11 LEU 5 HD11 LEU 5 -10.136 -0.061 -5.665
43 HD12 LEU 5 HD12 LEU 5 -10.212 -1.821 -5.677
44 HD13 LEU 5 HD13 LEU 5 -9.224 -0.974 -6.867
45 HD21 LEU 5 HD21 LEU 5 -8.054 1.089 -5.040
46 HD22 LEU 5 HD22 LEU 5 -7.108 0.122 -6.179
47 HD23 LEU 5 HD23 LEU 5 -6.668 0.162 -4.474
48 H LEU 6 HN LEU 6 -8.323 0.825 -1.031
49 HA LEU 6 HA LEU 6 -6.128 2.241 -2.125
50 HB2 LEU 6 HB2 LEU 6 -7.996 3.046 0.114
51 HB3 LEU 6 HB1 LEU 6 -6.686 4.065 -0.436
52 HG LEU 6 HG LEU 6 -8.678 4.882 -1.382
53 HD11 LEU 6 HD11 LEU 6 -8.315 4.722 -3.769
54 HD12 LEU 6 HD12 LEU 6 -7.250 3.344 -3.524
55 HD13 LEU 6 HD13 LEU 6 -6.801 4.927 -2.886
56 HD21 LEU 6 HD21 LEU 6 -9.260 2.102 -2.399
57 HD22 LEU 6 HD22 LEU 6 -10.209 3.547 -2.752
58 HD23 LEU 6 HD23 LEU 6 -10.114 2.938 -1.101
59 HA PRO 7 HA PRO 7 -3.955 1.759 2.261
60 HB2 PRO 7 HB2 PRO 7 -5.233 -0.845 2.960
61 HB3 PRO 7 HB1 PRO 7 -4.656 0.440 4.031
62 HG2 PRO 7 HG2 PRO 7 -7.247 0.138 3.609
63 HG3 PRO 7 HG1 PRO 7 -6.531 1.758 3.668
64 HD2 PRO 7 HD2 PRO 7 -7.419 0.167 1.306
65 HD3 PRO 7 HD1 PRO 7 -7.542 1.910 1.621
66 H ARG 8 HN ARG 8 -5.045 -1.017 0.357
67 HA ARG 8 HA ARG 8 -2.650 -2.493 0.424
68 HB2 ARG 8 HB2 ARG 8 -4.879 -2.407 -1.597
69 HB3 ARG 8 HB1 ARG 8 -3.519 -3.506 -1.739
70 HG2 ARG 8 HG2 ARG 8 -4.126 -4.605 0.323
71 HG3 ARG 8 HG1 ARG 8 -5.381 -3.406 0.622
72 HD2 ARG 8 HD2 ARG 8 -6.232 -5.557 -0.282
73 HD3 ARG 8 HD1 ARG 8 -6.650 -4.154 -1.265
74 HE ARG 8 HE ARG 8 -4.255 -5.576 -2.022
75 HH11 ARG 8 HH11 ARG 8 -7.760 -5.370 -2.524
76 HH12 ARG 8 HH12 ARG 8 -7.700 -5.884 -4.135
77 HH21 ARG 8 HH21 ARG 8 -4.189 -6.333 -4.218
78 HH22 ARG 8 HH22 ARG 8 -5.622 -6.447 -5.141
79 H ILE 9 HN ILE 9 -3.801 -0.051 -1.879
80 HA ILE 9 HA ILE 9 -1.553 -0.073 -3.588
81 HB ILE 9 HB ILE 9 -3.424 2.222 -2.907
82 HG12 ILE 9 HG12 ILE 9 -4.570 0.342 -3.943
83 HG13 ILE 9 HG11 ILE 9 -4.519 1.711 -5.048
84 HG21 ILE 9 HG21 ILE 9 -1.353 3.132 -3.794
85 HG22 ILE 9 HG22 ILE 9 -2.661 3.327 -4.960
86 HG23 ILE 9 HG23 ILE 9 -1.458 2.060 -5.192
87 HD11 ILE 9 HD11 ILE 9 -2.671 0.643 -6.244
88 HD12 ILE 9 HD12 ILE 9 -4.121 -0.357 -6.222
89 HD13 ILE 9 HD13 ILE 9 -2.771 -0.745 -5.158
90 H LYS 10 HN LYS 10 -2.303 1.761 -0.698
91 HA LYS 10 HA LYS 10 0.022 3.328 -0.657
92 HB2 LYS 10 HB2 LYS 10 -1.717 2.450 1.647
93 HB3 LYS 10 HB1 LYS 10 -0.491 3.705 1.744
94 HG2 LYS 10 HG2 LYS 10 -1.697 4.987 0.027
95 HG3 LYS 10 HG1 LYS 10 -2.945 3.745 0.009
96 HD2 LYS 10 HD2 LYS 10 -3.393 4.192 2.387
97 HD3 LYS 10 HD1 LYS 10 -2.166 5.464 2.358
98 HE2 LYS 10 HE2 LYS 10 -3.426 6.609 0.594
99 HE3 LYS 10 HE1 LYS 10 -4.676 5.372 0.693
100 HZ1 LYS 10 HZ1 LYS 10 -3.897 7.277 2.829
101 HZ2 LYS 10 HZ2 LYS 10 -5.001 6.022 3.026
102 HZ3 LYS 10 HZ3 LYS 10 -5.339 7.271 1.943
103 H LYS 11 HN LYS 11 -0.629 0.147 0.728
104 HA LYS 11 HA LYS 11 1.896 -0.044 1.943
105 HB2 LYS 11 HB2 LYS 11 -0.057 -2.195 1.181
106 HB3 LYS 11 HB1 LYS 11 1.479 -2.534 1.968
107 HG2 LYS 11 HG2 LYS 11 0.764 -0.962 3.794
108 HG3 LYS 11 HG1 LYS 11 -0.829 -0.945 3.042
109 HD2 LYS 11 HD2 LYS 11 -0.731 -2.557 4.886
110 HD3 LYS 11 HD1 LYS 11 -1.001 -3.367 3.344
111 HE2 LYS 11 HE2 LYS 11 1.263 -4.109 3.235
112 HE3 LYS 11 HE1 LYS 11 1.741 -3.061 4.570
113 HZ1 LYS 11 HZ1 LYS 11 -0.135 -5.338 4.786
114 HZ2 LYS 11 HZ2 LYS 11 0.471 -4.403 6.057
115 HZ3 LYS 11 HZ3 LYS 11 1.499 -5.415 5.183
116 H LYS 12 HN LYS 12 0.927 -0.504 -1.315
117 HA LYS 12 HA LYS 12 3.334 -1.906 -2.019
118 HB2 LYS 12 HB2 LYS 12 1.364 -0.445 -3.769
119 HB3 LYS 12 HB1 LYS 12 2.665 -1.471 -4.360
120 HG2 LYS 12 HG2 LYS 12 0.286 -2.318 -2.726
121 HG3 LYS 12 HG1 LYS 12 0.587 -2.684 -4.422
122 HD2 LYS 12 HD2 LYS 12 2.622 -3.938 -3.745
123 HD3 LYS 12 HD1 LYS 12 2.218 -3.618 -2.058
124 HE2 LYS 12 HE2 LYS 12 1.489 -5.826 -2.679
125 HE3 LYS 12 HE1 LYS 12 0.099 -4.795 -2.352
126 HZ1 LYS 12 HZ1 LYS 12 -0.202 -6.142 -4.367
127 HZ2 LYS 12 HZ2 LYS 12 1.140 -5.420 -5.062
128 HZ3 LYS 12 HZ3 LYS 12 -0.215 -4.499 -4.722
129 H ILE 13 HN ILE 13 2.289 1.384 -1.842
130 HA ILE 13 HA ILE 13 4.604 2.537 -3.046
131 HB ILE 13 HB ILE 13 2.728 3.718 -0.960
132 HG12 ILE 13 HG12 ILE 13 1.467 3.065 -2.937
133 HG13 ILE 13 HG11 ILE 13 1.576 4.816 -2.855
134 HG21 ILE 13 HG21 ILE 13 4.637 5.124 -2.827
135 HG22 ILE 13 HG22 ILE 13 4.808 4.966 -1.078
136 HG23 ILE 13 HG23 ILE 13 3.483 5.916 -1.752
137 HD11 ILE 13 HD11 ILE 13 3.200 3.009 -4.645
138 HD12 ILE 13 HD12 ILE 13 3.348 4.763 -4.559
139 HD13 ILE 13 HD13 ILE 13 1.850 4.034 -5.132
140 H LEU 14 HN LEU 14 3.600 1.697 0.192
141 HA LEU 14 HA LEU 14 5.878 2.469 1.627
142 HB2 LEU 14 HB2 LEU 14 3.709 1.838 2.628
143 HB3 LEU 14 HB1 LEU 14 3.978 0.185 2.127
144 HG LEU 14 HG LEU 14 5.917 0.059 3.647
145 HD11 LEU 14 HD11 LEU 14 5.012 2.792 4.533
146 HD12 LEU 14 HD12 LEU 14 6.535 2.400 3.729
147 HD13 LEU 14 HD13 LEU 14 6.207 1.787 5.348
148 HD21 LEU 14 HD21 LEU 14 3.321 0.895 4.923
149 HD22 LEU 14 HD22 LEU 14 4.610 -0.018 5.709
150 HD23 LEU 14 HD23 LEU 14 3.727 -0.725 4.357
151 H ALA 15 HN ALA 15 5.099 -0.460 -0.140
152 HA ALA 15 HA ALA 15 7.364 -1.978 0.605
153 HB1 ALA 15 HB1 ALA 15 5.356 -3.003 -0.352
154 HB2 ALA 15 HB2 ALA 15 6.790 -3.415 -1.298
155 HB3 ALA 15 HB3 ALA 15 5.670 -2.187 -1.882
156 H ALA 16 HN ALA 16 6.894 0.548 -1.663
157 HA ALA 16 HA ALA 16 9.355 0.017 -3.082
158 HB1 ALA 16 HB1 ALA 16 7.422 0.953 -4.273
159 HB2 ALA 16 HB2 ALA 16 8.804 2.048 -4.324
160 HB3 ALA 16 HB3 ALA 16 7.465 2.369 -3.222
161 H ALA 17 HN ALA 17 8.170 1.858 -0.446
162 HA ALA 17 HA ALA 17 10.371 3.682 -0.273
163 HB1 ALA 17 HB1 ALA 17 8.248 2.978 1.755
164 HB2 ALA 17 HB2 ALA 17 8.149 4.280 0.570
165 HB3 ALA 17 HB3 ALA 17 9.356 4.342 1.855
166 H PHE 18 HN PHE 18 9.332 0.783 1.498
167 HA PHE 18 HA PHE 18 11.747 0.672 3.047
168 HB2 PHE 18 HB2 PHE 18 9.572 -0.170 3.913
169 HB3 PHE 18 HB1 PHE 18 9.558 -1.391 2.650
170 HD1 PHE 18 HD1 PHE 18 10.522 -3.485 3.052
171 HD2 PHE 18 HD2 PHE 18 11.542 -0.207 5.558
172 HE1 PHE 18 HE1 PHE 18 11.744 -5.004 4.543
173 HE2 PHE 18 HE2 PHE 18 12.766 -1.727 7.051
174 HZ PHE 18 HZ PHE 18 12.868 -4.130 6.545
175 H LYS 19 HN LYS 19 13.580 -0.078 2.280
176 HA LYS 19 HA LYS 19 13.499 -1.886 -0.008
177 HB2 LYS 19 HB2 LYS 19 15.325 0.493 0.376
178 HB3 LYS 19 HB1 LYS 19 15.366 -0.629 -0.979
179 HG2 LYS 19 HG2 LYS 19 13.148 0.089 -1.684
180 HG3 LYS 19 HG1 LYS 19 13.028 1.152 -0.291
181 HD2 LYS 19 HD2 LYS 19 15.031 1.418 -2.543
182 HD3 LYS 19 HD1 LYS 19 13.561 2.351 -2.356
183 HE2 LYS 19 HE2 LYS 19 15.810 2.341 -0.338
184 HE3 LYS 19 HE1 LYS 19 15.591 3.542 -1.602
185 HZ1 LYS 19 HZ1 LYS 19 13.586 2.995 0.541
186 HZ2 LYS 19 HZ2 LYS 19 13.523 4.199 -0.647
187 HZ3 LYS 19 HZ3 LYS 19 14.702 4.255 0.530
Start of MODEL 9
1 H2 PRO 1 HT1 PRO 1 -12.972 6.392 0.879
2 H3 PRO 1 HT2 PRO 1 -11.899 6.443 2.089
3 HA PRO 1 HA PRO 1 -13.645 6.207 3.752
4 HB2 PRO 1 HB2 PRO 1 -15.209 4.538 2.060
5 HB3 PRO 1 HB1 PRO 1 -15.751 5.972 2.933
6 HG2 PRO 1 HG2 PRO 1 -14.908 5.696 0.113
7 HG3 PRO 1 HG1 PRO 1 -15.997 6.878 0.857
8 HD2 PRO 1 HD2 PRO 1 -13.571 7.606 0.028
9 HD3 PRO 1 HD1 PRO 1 -14.301 8.257 1.495
10 H MET 2 HN MET 2 -14.423 3.551 3.724
11 HA MET 2 HA MET 2 -11.852 2.294 3.657
12 HB2 MET 2 HB2 MET 2 -14.547 1.175 4.434
13 HB3 MET 2 HB1 MET 2 -13.026 0.317 4.569
14 HG2 MET 2 HG2 MET 2 -12.225 1.955 6.176
15 HG3 MET 2 HG1 MET 2 -13.731 2.856 6.021
16 HE1 MET 2 HE1 MET 2 -12.066 -0.509 7.194
17 HE2 MET 2 HE2 MET 2 -13.321 -1.107 6.104
18 HE3 MET 2 HE3 MET 2 -13.446 -1.395 7.836
19 H ALA 3 HN ALA 3 -11.405 2.275 1.500
20 HA ALA 3 HA ALA 3 -12.791 0.169 -0.023
21 HB1 ALA 3 HB1 ALA 3 -12.887 2.346 -1.169
22 HB2 ALA 3 HB2 ALA 3 -11.833 1.237 -2.047
23 HB3 ALA 3 HB3 ALA 3 -11.135 2.500 -1.033
24 H LYS 4 HN LYS 4 -11.645 -1.630 -0.170
25 HA LYS 4 HA LYS 4 -9.234 -1.981 1.139
26 HB2 LYS 4 HB2 LYS 4 -9.108 -4.226 0.275
27 HB3 LYS 4 HB1 LYS 4 -10.765 -3.850 0.688
28 HG2 LYS 4 HG2 LYS 4 -9.687 -3.764 -2.128
29 HG3 LYS 4 HG1 LYS 4 -10.425 -5.191 -1.413
30 HD2 LYS 4 HD2 LYS 4 -12.510 -3.917 -1.093
31 HD3 LYS 4 HD1 LYS 4 -11.744 -2.511 -1.839
32 HE2 LYS 4 HE2 LYS 4 -11.453 -3.742 -3.909
33 HE3 LYS 4 HE1 LYS 4 -12.140 -5.185 -3.167
34 HZ1 LYS 4 HZ1 LYS 4 -13.724 -3.962 -4.550
35 HZ2 LYS 4 HZ2 LYS 4 -13.618 -2.630 -3.500
36 HZ3 LYS 4 HZ3 LYS 4 -14.229 -4.088 -2.950
37 H LEU 5 HN LEU 5 -9.642 -0.854 -2.050
38 HA LEU 5 HA LEU 5 -7.127 -1.660 -3.068
39 HB2 LEU 5 HB2 LEU 5 -8.868 0.657 -3.894
40 HB3 LEU 5 HB1 LEU 5 -7.486 0.069 -4.792
41 HG LEU 5 HG LEU 5 -10.048 -1.449 -4.286
42 HD11 LEU 5 HD11 LEU 5 -10.325 0.350 -5.884
43 HD12 LEU 5 HD12 LEU 5 -10.379 -1.213 -6.698
44 HD13 LEU 5 HD13 LEU 5 -8.927 -0.218 -6.795
45 HD21 LEU 5 HD21 LEU 5 -7.597 -2.230 -5.875
46 HD22 LEU 5 HD22 LEU 5 -9.122 -3.112 -5.843
47 HD23 LEU 5 HD23 LEU 5 -8.153 -2.984 -4.377
48 H LEU 6 HN LEU 6 -8.164 1.074 -1.133
49 HA LEU 6 HA LEU 6 -5.906 2.664 -1.681
50 HB2 LEU 6 HB2 LEU 6 -7.812 2.834 0.643
51 HB3 LEU 6 HB1 LEU 6 -6.586 4.029 0.274
52 HG LEU 6 HG LEU 6 -8.963 3.323 -1.442
53 HD11 LEU 6 HD11 LEU 6 -8.298 5.784 0.149
54 HD12 LEU 6 HD12 LEU 6 -9.554 4.601 0.521
55 HD13 LEU 6 HD13 LEU 6 -9.681 5.599 -0.928
56 HD21 LEU 6 HD21 LEU 6 -6.780 5.365 -1.889
57 HD22 LEU 6 HD22 LEU 6 -8.247 5.206 -2.852
58 HD23 LEU 6 HD23 LEU 6 -7.058 3.910 -2.850
59 HA PRO 7 HA PRO 7 -3.964 1.078 2.514
60 HB2 PRO 7 HB2 PRO 7 -4.756 -1.521 3.113
61 HB3 PRO 7 HB1 PRO 7 -5.315 -0.073 3.955
62 HG2 PRO 7 HG2 PRO 7 -6.624 -1.608 1.758
63 HG3 PRO 7 HG1 PRO 7 -7.349 -0.879 3.203
64 HD2 PRO 7 HD2 PRO 7 -7.570 0.303 0.830
65 HD3 PRO 7 HD1 PRO 7 -7.284 1.265 2.296
66 H ARG 8 HN ARG 8 -4.996 -1.131 -0.034
67 HA ARG 8 HA ARG 8 -2.606 -2.653 -0.033
68 HB2 ARG 8 HB2 ARG 8 -4.689 -2.309 -2.178
69 HB3 ARG 8 HB1 ARG 8 -3.328 -3.408 -2.317
70 HG2 ARG 8 HG2 ARG 8 -4.147 -4.548 -0.243
71 HG3 ARG 8 HG1 ARG 8 -5.589 -3.531 -0.338
72 HD2 ARG 8 HD2 ARG 8 -5.985 -5.700 -1.374
73 HD3 ARG 8 HD1 ARG 8 -6.055 -4.406 -2.573
74 HE ARG 8 HE ARG 8 -3.464 -5.552 -2.301
75 HH11 ARG 8 HH11 ARG 8 -6.594 -6.033 -3.883
76 HH12 ARG 8 HH12 ARG 8 -5.973 -6.885 -5.207
77 HH21 ARG 8 HH21 ARG 8 -2.597 -6.727 -4.111
78 HH22 ARG 8 HH22 ARG 8 -3.618 -7.293 -5.342
79 H ILE 9 HN ILE 9 -3.714 0.013 -2.106
80 HA ILE 9 HA ILE 9 -1.367 0.242 -3.616
81 HB ILE 9 HB ILE 9 -3.420 2.345 -2.841
82 HG12 ILE 9 HG12 ILE 9 -2.980 0.851 -5.440
83 HG13 ILE 9 HG11 ILE 9 -4.225 0.485 -4.254
84 HG21 ILE 9 HG21 ILE 9 -1.335 3.494 -3.352
85 HG22 ILE 9 HG22 ILE 9 -2.511 3.761 -4.639
86 HG23 ILE 9 HG23 ILE 9 -1.199 2.607 -4.869
87 HD11 ILE 9 HD11 ILE 9 -5.129 1.721 -6.141
88 HD12 ILE 9 HD12 ILE 9 -3.988 3.035 -5.842
89 HD13 ILE 9 HD13 ILE 9 -5.245 2.671 -4.660
90 H LYS 10 HN LYS 10 -2.304 1.663 -0.547
91 HA LYS 10 HA LYS 10 -0.082 3.324 -0.135
92 HB2 LYS 10 HB2 LYS 10 -2.180 3.394 1.184
93 HB3 LYS 10 HB1 LYS 10 -1.741 1.863 1.920
94 HG2 LYS 10 HG2 LYS 10 0.264 2.930 2.874
95 HG3 LYS 10 HG1 LYS 10 -0.270 4.470 2.192
96 HD2 LYS 10 HD2 LYS 10 -2.366 4.270 3.483
97 HD3 LYS 10 HD1 LYS 10 -1.746 2.791 4.210
98 HE2 LYS 10 HE2 LYS 10 -1.407 4.670 5.705
99 HE3 LYS 10 HE1 LYS 10 0.142 4.045 5.141
100 HZ1 LYS 10 HZ1 LYS 10 0.262 5.874 3.571
101 HZ2 LYS 10 HZ2 LYS 10 0.048 6.464 5.126
102 HZ3 LYS 10 HZ3 LYS 10 -1.246 6.424 4.055
103 H LYS 11 HN LYS 11 -0.683 -0.046 0.780
104 HA LYS 11 HA LYS 11 1.712 -0.516 2.155
105 HB2 LYS 11 HB2 LYS 11 -0.256 -1.953 2.347
106 HB3 LYS 11 HB1 LYS 11 -0.090 -2.427 0.665
107 HG2 LYS 11 HG2 LYS 11 2.074 -3.470 1.204
108 HG3 LYS 11 HG1 LYS 11 1.830 -3.028 2.890
109 HD2 LYS 11 HD2 LYS 11 -0.130 -4.401 3.036
110 HD3 LYS 11 HD1 LYS 11 -0.064 -4.747 1.306
111 HE2 LYS 11 HE2 LYS 11 0.807 -6.618 2.612
112 HE3 LYS 11 HE1 LYS 11 2.053 -5.895 1.603
113 HZ1 LYS 11 HZ1 LYS 11 2.856 -6.390 3.833
114 HZ2 LYS 11 HZ2 LYS 11 1.709 -5.373 4.511
115 HZ3 LYS 11 HZ3 LYS 11 2.918 -4.741 3.540
116 H LYS 12 HN LYS 12 0.843 -0.876 -1.231
117 HA LYS 12 HA LYS 12 3.238 -2.065 -2.139
118 HB2 LYS 12 HB2 LYS 12 1.263 -0.295 -3.569
119 HB3 LYS 12 HB1 LYS 12 2.579 -1.141 -4.366
120 HG2 LYS 12 HG2 LYS 12 1.636 -3.267 -3.758
121 HG3 LYS 12 HG1 LYS 12 0.367 -2.467 -2.823
122 HD2 LYS 12 HD2 LYS 12 -0.496 -1.433 -4.826
123 HD3 LYS 12 HD1 LYS 12 0.819 -2.123 -5.774
124 HE2 LYS 12 HE2 LYS 12 0.005 -4.369 -5.257
125 HE3 LYS 12 HE1 LYS 12 -1.308 -3.674 -4.305
126 HZ1 LYS 12 HZ1 LYS 12 -0.869 -3.123 -7.168
127 HZ2 LYS 12 HZ2 LYS 12 -2.225 -2.690 -6.274
128 HZ3 LYS 12 HZ3 LYS 12 -1.905 -4.319 -6.618
129 H ILE 13 HN ILE 13 2.224 1.279 -1.858
130 HA ILE 13 HA ILE 13 4.580 2.449 -2.885
131 HB ILE 13 HB ILE 13 2.568 3.547 -0.901
132 HG12 ILE 13 HG12 ILE 13 2.839 4.030 -3.872
133 HG13 ILE 13 HG11 ILE 13 1.692 2.913 -3.144
134 HG21 ILE 13 HG21 ILE 13 4.687 5.017 -2.478
135 HG22 ILE 13 HG22 ILE 13 4.673 4.776 -0.731
136 HG23 ILE 13 HG23 ILE 13 3.436 5.774 -1.491
137 HD11 ILE 13 HD11 ILE 13 0.623 4.983 -3.730
138 HD12 ILE 13 HD12 ILE 13 1.783 5.887 -2.756
139 HD13 ILE 13 HD13 ILE 13 0.640 4.791 -1.977
140 H LEU 14 HN LEU 14 3.520 1.723 0.393
141 HA LEU 14 HA LEU 14 5.688 2.728 1.796
142 HB2 LEU 14 HB2 LEU 14 3.528 2.078 2.779
143 HB3 LEU 14 HB1 LEU 14 3.911 0.397 2.489
144 HG LEU 14 HG LEU 14 5.808 0.589 4.065
145 HD11 LEU 14 HD11 LEU 14 4.687 3.338 4.589
146 HD12 LEU 14 HD12 LEU 14 6.254 2.966 3.868
147 HD13 LEU 14 HD13 LEU 14 5.931 2.532 5.545
148 HD21 LEU 14 HD21 LEU 14 3.119 1.381 5.177
149 HD22 LEU 14 HD22 LEU 14 4.442 0.662 6.095
150 HD23 LEU 14 HD23 LEU 14 3.654 -0.260 4.815
151 H ALA 15 HN ALA 15 5.145 -0.576 0.588
152 HA ALA 15 HA ALA 15 7.593 -1.575 1.628
153 HB1 ALA 15 HB1 ALA 15 5.871 -2.728 -0.561
154 HB2 ALA 15 HB2 ALA 15 5.657 -3.010 1.166
155 HB3 ALA 15 HB3 ALA 15 7.115 -3.582 0.353
156 H ALA 16 HN ALA 16 6.836 0.147 -1.226
157 HA ALA 16 HA ALA 16 9.255 -0.713 -2.582
158 HB1 ALA 16 HB1 ALA 16 7.197 1.309 -3.433
159 HB2 ALA 16 HB2 ALA 16 7.219 -0.395 -3.889
160 HB3 ALA 16 HB3 ALA 16 8.511 0.681 -4.424
161 H ALA 17 HN ALA 17 7.908 2.333 -1.357
162 HA ALA 17 HA ALA 17 10.328 3.759 -1.950
163 HB1 ALA 17 HB1 ALA 17 9.176 5.702 -1.082
164 HB2 ALA 17 HB2 ALA 17 7.881 4.679 -0.462
165 HB3 ALA 17 HB3 ALA 17 8.138 4.818 -2.200
166 H PHE 18 HN PHE 18 8.748 2.550 0.989
167 HA PHE 18 HA PHE 18 10.905 3.683 2.571
168 HB2 PHE 18 HB2 PHE 18 8.435 3.758 3.307
169 HB3 PHE 18 HB1 PHE 18 8.562 2.028 3.547
170 HD1 PHE 18 HD1 PHE 18 10.099 1.145 5.310
171 HD2 PHE 18 HD2 PHE 18 9.296 5.290 4.866
172 HE1 PHE 18 HE1 PHE 18 10.945 1.551 7.579
173 HE2 PHE 18 HE2 PHE 18 10.147 5.702 7.132
174 HZ PHE 18 HZ PHE 18 10.975 3.837 8.488
175 H LYS 19 HN LYS 19 12.646 2.541 2.707
176 HA LYS 19 HA LYS 19 12.484 -0.347 2.323
177 HB2 LYS 19 HB2 LYS 19 14.850 1.495 1.914
178 HB3 LYS 19 HB1 LYS 19 14.768 -0.214 1.504
179 HG2 LYS 19 HG2 LYS 19 13.067 0.232 -0.173
180 HG3 LYS 19 HG1 LYS 19 13.060 1.938 0.265
181 HD2 LYS 19 HD2 LYS 19 15.463 2.041 -0.392
182 HD3 LYS 19 HD1 LYS 19 15.323 0.378 -0.967
183 HE2 LYS 19 HE2 LYS 19 13.699 2.721 -1.961
184 HE3 LYS 19 HE1 LYS 19 15.072 2.016 -2.804
185 HZ1 LYS 19 HZ1 LYS 19 13.054 1.195 -3.729
186 HZ2 LYS 19 HZ2 LYS 19 12.441 0.756 -2.248
187 HZ3 LYS 19 HZ3 LYS 19 13.758 -0.087 -2.898
Start of MODEL 10
1 H2 PRO 1 HT1 PRO 1 -11.891 -1.484 6.239
2 H3 PRO 1 HT2 PRO 1 -11.635 0.142 6.466
3 HA PRO 1 HA PRO 1 -10.436 0.421 4.530
4 HB2 PRO 1 HB2 PRO 1 -10.989 -2.240 3.449
5 HB3 PRO 1 HB1 PRO 1 -9.504 -1.283 3.377
6 HG2 PRO 1 HG2 PRO 1 -9.715 -3.439 4.973
7 HG3 PRO 1 HG1 PRO 1 -8.765 -2.021 5.440
8 HD2 PRO 1 HD2 PRO 1 -11.449 -2.909 6.311
9 HD3 PRO 1 HD1 PRO 1 -10.199 -2.195 7.298
10 H MET 2 HN MET 2 -12.214 1.720 4.176
11 HA MET 2 HA MET 2 -14.687 0.532 3.300
12 HB2 MET 2 HB2 MET 2 -13.793 3.422 3.376
13 HB3 MET 2 HB1 MET 2 -15.426 2.877 3.005
14 HG2 MET 2 HG2 MET 2 -13.958 2.444 5.581
15 HG3 MET 2 HG1 MET 2 -15.241 3.622 5.315
16 HE1 MET 2 HE1 MET 2 -16.939 0.905 7.629
17 HE2 MET 2 HE2 MET 2 -16.518 2.611 7.461
18 HE3 MET 2 HE3 MET 2 -15.252 1.406 7.689
19 H ALA 3 HN ALA 3 -12.115 2.511 1.952
20 HA ALA 3 HA ALA 3 -12.842 1.513 -0.683
21 HB1 ALA 3 HB1 ALA 3 -11.210 3.202 -1.510
22 HB2 ALA 3 HB2 ALA 3 -10.899 3.688 0.157
23 HB3 ALA 3 HB3 ALA 3 -12.489 3.951 -0.555
24 H LYS 4 HN LYS 4 -12.185 -0.494 -0.391
25 HA LYS 4 HA LYS 4 -10.013 -1.285 1.149
26 HB2 LYS 4 HB2 LYS 4 -10.370 -3.559 0.422
27 HB3 LYS 4 HB1 LYS 4 -11.885 -2.776 0.799
28 HG2 LYS 4 HG2 LYS 4 -10.836 -3.216 -1.994
29 HG3 LYS 4 HG1 LYS 4 -11.946 -4.294 -1.176
30 HD2 LYS 4 HD2 LYS 4 -13.582 -2.435 -1.025
31 HD3 LYS 4 HD1 LYS 4 -12.463 -1.421 -1.941
32 HE2 LYS 4 HE2 LYS 4 -12.538 -3.004 -3.798
33 HE3 LYS 4 HE1 LYS 4 -13.648 -4.022 -2.886
34 HZ1 LYS 4 HZ1 LYS 4 -15.248 -2.219 -2.917
35 HZ2 LYS 4 HZ2 LYS 4 -14.814 -2.667 -4.474
36 HZ3 LYS 4 HZ3 LYS 4 -14.191 -1.252 -3.797
37 H LEU 5 HN LEU 5 -9.935 -0.322 -2.161
38 HA LEU 5 HA LEU 5 -7.461 -1.698 -2.604
39 HB2 LEU 5 HB2 LEU 5 -8.908 0.364 -4.244
40 HB3 LEU 5 HB1 LEU 5 -7.273 -0.106 -4.634
41 HG LEU 5 HG LEU 5 -8.749 -1.273 -6.078
42 HD11 LEU 5 HD11 LEU 5 -8.226 -3.592 -5.646
43 HD12 LEU 5 HD12 LEU 5 -7.777 -3.197 -3.995
44 HD13 LEU 5 HD13 LEU 5 -6.842 -2.544 -5.341
45 HD21 LEU 5 HD21 LEU 5 -10.490 -2.819 -5.274
46 HD22 LEU 5 HD22 LEU 5 -10.815 -1.142 -4.841
47 HD23 LEU 5 HD23 LEU 5 -10.188 -2.258 -3.628
48 H LEU 6 HN LEU 6 -8.315 1.273 -1.128
49 HA LEU 6 HA LEU 6 -5.946 2.672 -1.701
50 HB2 LEU 6 HB2 LEU 6 -7.849 3.072 0.599
51 HB3 LEU 6 HB1 LEU 6 -6.491 4.122 0.267
52 HG LEU 6 HG LEU 6 -8.923 3.709 -1.469
53 HD11 LEU 6 HD11 LEU 6 -7.924 6.109 0.049
54 HD12 LEU 6 HD12 LEU 6 -9.283 5.086 0.507
55 HD13 LEU 6 HD13 LEU 6 -9.363 6.045 -0.969
56 HD21 LEU 6 HD21 LEU 6 -7.963 5.477 -2.898
57 HD22 LEU 6 HD22 LEU 6 -6.986 4.016 -2.900
58 HD23 LEU 6 HD23 LEU 6 -6.474 5.416 -1.953
59 HA PRO 7 HA PRO 7 -4.089 1.168 2.523
60 HB2 PRO 7 HB2 PRO 7 -5.003 -1.359 3.252
61 HB3 PRO 7 HB1 PRO 7 -5.477 0.148 4.035
62 HG2 PRO 7 HG2 PRO 7 -6.914 -1.443 1.964
63 HG3 PRO 7 HG1 PRO 7 -7.558 -0.551 3.355
64 HD2 PRO 7 HD2 PRO 7 -7.728 0.422 0.862
65 HD3 PRO 7 HD1 PRO 7 -7.457 1.483 2.260
66 H ARG 8 HN ARG 8 -5.297 -1.145 0.185
67 HA ARG 8 HA ARG 8 -3.110 -2.904 0.179
68 HB2 ARG 8 HB2 ARG 8 -5.152 -2.307 -1.956
69 HB3 ARG 8 HB1 ARG 8 -3.958 -3.585 -2.099
70 HG2 ARG 8 HG2 ARG 8 -4.863 -4.695 -0.148
71 HG3 ARG 8 HG1 ARG 8 -6.014 -3.381 0.092
72 HD2 ARG 8 HD2 ARG 8 -7.051 -5.318 -0.984
73 HD3 ARG 8 HD1 ARG 8 -7.079 -3.901 -2.029
74 HE ARG 8 HE ARG 8 -4.805 -5.273 -2.714
75 HH11 ARG 8 HH11 ARG 8 -8.251 -6.092 -2.638
76 HH12 ARG 8 HH12 ARG 8 -8.154 -7.170 -3.947
77 HH21 ARG 8 HH21 ARG 8 -4.691 -6.685 -4.494
78 HH22 ARG 8 HH22 ARG 8 -6.090 -7.514 -5.056
79 H ILE 9 HN ILE 9 -3.833 -0.193 -2.029
80 HA ILE 9 HA ILE 9 -1.317 -0.490 -3.343
81 HB ILE 9 HB ILE 9 -1.815 1.661 -4.462
82 HG12 ILE 9 HG12 ILE 9 -4.331 1.629 -2.777
83 HG13 ILE 9 HG11 ILE 9 -3.001 2.760 -2.594
84 HG21 ILE 9 HG21 ILE 9 -4.095 -0.312 -4.443
85 HG22 ILE 9 HG22 ILE 9 -2.628 -0.414 -5.414
86 HG23 ILE 9 HG23 ILE 9 -3.789 0.882 -5.705
87 HD11 ILE 9 HD11 ILE 9 -4.806 2.514 -4.988
88 HD12 ILE 9 HD12 ILE 9 -3.477 3.661 -4.810
89 HD13 ILE 9 HD13 ILE 9 -4.879 3.768 -3.749
90 H LYS 10 HN LYS 10 -2.408 1.251 -0.573
91 HA LYS 10 HA LYS 10 -0.311 3.105 -0.375
92 HB2 LYS 10 HB2 LYS 10 -2.385 3.241 0.966
93 HB3 LYS 10 HB1 LYS 10 -1.882 1.814 1.861
94 HG2 LYS 10 HG2 LYS 10 0.136 3.051 2.583
95 HG3 LYS 10 HG1 LYS 10 -0.525 4.490 1.810
96 HD2 LYS 10 HD2 LYS 10 -2.450 4.419 3.276
97 HD3 LYS 10 HD1 LYS 10 -1.865 2.922 4.003
98 HE2 LYS 10 HE2 LYS 10 -0.496 5.604 4.091
99 HE3 LYS 10 HE1 LYS 10 -1.326 4.818 5.427
100 HZ1 LYS 10 HZ1 LYS 10 1.173 3.910 4.092
101 HZ2 LYS 10 HZ2 LYS 10 0.320 2.978 5.197
102 HZ3 LYS 10 HZ3 LYS 10 0.984 4.460 5.680
103 H LYS 11 HN LYS 11 -0.679 -0.221 0.683
104 HA LYS 11 HA LYS 11 1.751 -0.465 2.105
105 HB2 LYS 11 HB2 LYS 11 0.212 -2.591 0.603
106 HB3 LYS 11 HB1 LYS 11 1.489 -2.894 1.770
107 HG2 LYS 11 HG2 LYS 11 0.126 -1.896 3.531
108 HG3 LYS 11 HG1 LYS 11 -1.135 -1.545 2.357
109 HD2 LYS 11 HD2 LYS 11 -1.732 -3.521 3.579
110 HD3 LYS 11 HD1 LYS 11 -1.347 -3.966 1.921
111 HE2 LYS 11 HE2 LYS 11 -0.396 -5.559 3.501
112 HE3 LYS 11 HE1 LYS 11 0.875 -4.717 2.626
113 HZ1 LYS 11 HZ1 LYS 11 -0.033 -4.068 5.389
114 HZ2 LYS 11 HZ2 LYS 11 1.231 -3.307 4.550
115 HZ3 LYS 11 HZ3 LYS 11 1.357 -4.922 4.977
116 H LYS 12 HN LYS 12 0.915 -0.734 -1.256
117 HA LYS 12 HA LYS 12 3.379 -1.848 -2.103
118 HB2 LYS 12 HB2 LYS 12 1.205 -0.437 -3.646
119 HB3 LYS 12 HB1 LYS 12 2.614 -1.168 -4.400
120 HG2 LYS 12 HG2 LYS 12 0.596 -2.650 -2.724
121 HG3 LYS 12 HG1 LYS 12 0.624 -2.619 -4.489
122 HD2 LYS 12 HD2 LYS 12 2.827 -3.642 -4.498
123 HD3 LYS 12 HD1 LYS 12 2.879 -3.598 -2.741
124 HE2 LYS 12 HE2 LYS 12 1.010 -5.131 -2.624
125 HE3 LYS 12 HE1 LYS 12 0.906 -5.164 -4.386
126 HZ1 LYS 12 HZ1 LYS 12 3.058 -6.133 -4.504
127 HZ2 LYS 12 HZ2 LYS 12 2.180 -7.071 -3.411
128 HZ3 LYS 12 HZ3 LYS 12 3.324 -5.962 -2.871
129 H ILE 13 HN ILE 13 2.139 1.461 -2.088
130 HA ILE 13 HA ILE 13 4.549 2.503 -3.182
131 HB ILE 13 HB ILE 13 2.396 3.726 -3.401
132 HG12 ILE 13 HG12 ILE 13 4.457 5.349 -1.888
133 HG13 ILE 13 HG11 ILE 13 4.507 4.975 -3.607
134 HG21 ILE 13 HG21 ILE 13 1.450 3.228 -1.251
135 HG22 ILE 13 HG22 ILE 13 1.433 4.968 -1.549
136 HG23 ILE 13 HG23 ILE 13 2.632 4.266 -0.457
137 HD11 ILE 13 HD11 ILE 13 2.395 6.620 -2.220
138 HD12 ILE 13 HD12 ILE 13 2.451 6.257 -3.945
139 HD13 ILE 13 HD13 ILE 13 3.713 7.244 -3.211
140 H LEU 14 HN LEU 14 3.577 1.579 -0.050
141 HA LEU 14 HA LEU 14 5.565 3.009 1.438
142 HB2 LEU 14 HB2 LEU 14 3.493 2.109 2.482
143 HB3 LEU 14 HB1 LEU 14 4.062 0.492 2.147
144 HG LEU 14 HG LEU 14 5.993 0.882 3.649
145 HD11 LEU 14 HD11 LEU 14 6.139 3.300 3.496
146 HD12 LEU 14 HD12 LEU 14 5.960 2.792 5.172
147 HD13 LEU 14 HD13 LEU 14 4.579 3.460 4.302
148 HD21 LEU 14 HD21 LEU 14 3.282 1.317 4.887
149 HD22 LEU 14 HD22 LEU 14 4.720 0.741 5.727
150 HD23 LEU 14 HD23 LEU 14 3.991 -0.238 4.456
151 H ALA 15 HN ALA 15 5.208 -0.419 0.567
152 HA ALA 15 HA ALA 15 7.716 -1.241 1.468
153 HB1 ALA 15 HB1 ALA 15 5.978 -2.492 -0.647
154 HB2 ALA 15 HB2 ALA 15 5.856 -2.767 1.090
155 HB3 ALA 15 HB3 ALA 15 7.295 -3.290 0.211
156 H ALA 16 HN ALA 16 6.856 0.366 -1.422
157 HA ALA 16 HA ALA 16 9.046 -0.372 -3.011
158 HB1 ALA 16 HB1 ALA 16 8.567 1.670 -4.291
159 HB2 ALA 16 HB2 ALA 16 7.486 2.210 -3.002
160 HB3 ALA 16 HB3 ALA 16 7.093 0.768 -3.934
161 H ALA 17 HN ALA 17 8.573 2.316 -0.750
162 HA ALA 17 HA ALA 17 11.369 3.102 -1.065
163 HB1 ALA 17 HB1 ALA 17 10.792 5.030 0.314
164 HB2 ALA 17 HB2 ALA 17 9.185 4.358 0.595
165 HB3 ALA 17 HB3 ALA 17 9.662 4.855 -1.028
166 H PHE 18 HN PHE 18 9.165 1.988 1.452
167 HA PHE 18 HA PHE 18 11.199 1.971 3.470
168 HB2 PHE 18 HB2 PHE 18 8.814 2.525 3.950
169 HB3 PHE 18 HB1 PHE 18 8.360 0.895 3.489
170 HD1 PHE 18 HD1 PHE 18 9.980 2.963 6.040
171 HD2 PHE 18 HD2 PHE 18 8.713 -0.936 4.980
172 HE1 PHE 18 HE1 PHE 18 10.260 2.246 8.377
173 HE2 PHE 18 HE2 PHE 18 8.996 -1.668 7.321
174 HZ PHE 18 HZ PHE 18 9.769 -0.073 9.017
175 H LYS 19 HN LYS 19 12.660 0.421 3.488
176 HA LYS 19 HA LYS 19 11.865 -2.286 2.924
177 HB2 LYS 19 HB2 LYS 19 13.884 -2.623 1.466
178 HB3 LYS 19 HB1 LYS 19 12.648 -1.591 0.772
179 HG2 LYS 19 HG2 LYS 19 13.987 0.392 1.364
180 HG3 LYS 19 HG1 LYS 19 15.217 -0.669 2.052
181 HD2 LYS 19 HD2 LYS 19 15.884 0.030 -0.169
182 HD3 LYS 19 HD1 LYS 19 15.535 -1.697 -0.168
183 HE2 LYS 19 HE2 LYS 19 14.613 -0.663 -2.147
184 HE3 LYS 19 HE1 LYS 19 13.308 -1.219 -1.108
185 HZ1 LYS 19 HZ1 LYS 19 12.791 0.945 -1.935
186 HZ2 LYS 19 HZ2 LYS 19 14.268 1.567 -1.442
187 HZ3 LYS 19 HZ3 LYS 19 13.133 1.140 -0.292