Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615238 | 5j6t RC | 30057 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 1 HH31 ACE 1 -1.876 -1.967 2.609
2 H2 ACE 1 HH32 ACE 1 -1.427 -2.643 1.026
3 H3 ACE 1 HH33 ACE 1 -1.117 -0.927 1.380
4 H ILE 2 H ILE 2 1.076 -2.071 0.534
5 HA ILE 2 HA ILE 2 2.585 -2.950 3.020
6 HB ILE 2 HB ILE 2 4.075 -4.095 1.348
7 HG12 ILE 2 HG12 ILE 2 2.051 -3.730 -0.817
8 HG13 ILE 2 HG13 ILE 2 3.072 -2.316 -0.461
9 HG21 ILE 2 HG21 ILE 2 2.163 -5.303 2.367
10 HG22 ILE 2 HG22 ILE 2 1.104 -4.726 1.058
11 HG23 ILE 2 HG23 ILE 2 2.443 -5.840 0.693
12 HD11 ILE 2 HD11 ILE 2 4.116 -3.755 -2.190
13 HD12 ILE 2 HD12 ILE 2 4.080 -5.133 -1.064
14 HD13 ILE 2 HD13 ILE 2 5.102 -3.719 -0.708
15 H PHE 3 H PHE 3 2.020 -0.147 1.964
16 HA PHE 3 HA PHE 3 4.292 0.988 0.649
17 HB2 PHE 3 HB3 PHE 3 2.120 2.103 1.151
18 HB3 PHE 3 HB2 PHE 3 2.530 2.110 2.883
19 HD1 PHE 3 HD1 PHE 3 4.394 2.928 -0.289
20 HD2 PHE 3 HD2 PHE 3 3.171 4.219 3.622
21 HE1 PHE 3 HE1 PHE 3 5.649 5.046 -0.594
22 HE2 PHE 3 HE2 PHE 3 4.426 6.335 3.316
23 HZ PHE 3 HZ PHE 3 5.666 6.749 1.209
24 H GLY 4 H GLY 4 3.739 0.381 4.147
25 HA2 GLY 4 HA3 GLY 4 6.185 1.605 5.063
26 HA3 GLY 4 HA2 GLY 4 5.287 0.338 5.931
27 H ALA 5 H ALA 5 5.607 -1.342 3.316
28 HA ALA 5 HA ALA 5 8.216 -2.544 4.176
29 HB1 ALA 5 HB1 ALA 5 7.409 -4.398 2.706
30 HB2 ALA 5 HB2 ALA 5 6.047 -3.376 2.185
31 HB3 ALA 5 HB3 ALA 5 6.163 -3.910 3.880
32 H ILE 6 H ILE 6 6.972 -0.453 1.696
33 HA ILE 6 HA ILE 6 9.037 -1.212 -0.314
34 HB ILE 6 HB ILE 6 7.030 1.085 -0.098
35 HG12 ILE 6 HG12 ILE 6 5.985 -1.164 -0.139
36 HG13 ILE 6 HG13 ILE 6 5.682 -0.292 -1.660
37 HG21 ILE 6 HG21 ILE 6 8.467 1.872 -1.739
38 HG22 ILE 6 HG22 ILE 6 9.016 0.240 -2.190
39 HG23 ILE 6 HG23 ILE 6 7.427 0.827 -2.737
40 HD11 ILE 6 HD11 ILE 6 6.378 -2.330 -2.524
41 HD12 ILE 6 HD12 ILE 6 7.429 -2.682 -1.132
42 HD13 ILE 6 HD13 ILE 6 7.959 -1.525 -2.377
43 H TRP 7 H TRP 7 8.502 1.295 2.156
44 HA TRP 7 HA TRP 7 10.617 3.085 1.284
45 HB2 TRP 7 HB3 TRP 7 8.665 2.844 3.347
46 HB3 TRP 7 HB2 TRP 7 10.234 3.024 4.170
47 HD1 TRP 7 HD1 TRP 7 7.575 5.077 2.872
48 HE1 TRP 7 HE1 TRP 7 8.345 7.471 2.303
49 HE3 TRP 7 HE3 TRP 7 12.625 4.330 2.892
50 HZ2 TRP 7 HZ2 TRP 7 10.843 8.864 1.909
51 HZ3 TRP 7 HZ3 TRP 7 14.177 6.202 2.415
52 HH2 TRP 7 HH2 TRP 7 13.292 8.466 1.925
53 HA PRO 8 HA PRO 8 13.276 0.694 4.648
54 HB2 PRO 8 HB2 PRO 8 12.033 -2.012 4.361
55 HB3 PRO 8 HB3 PRO 8 12.603 -1.172 5.831
56 HG2 PRO 8 HG2 PRO 8 9.978 -1.484 5.227
57 HG3 PRO 8 HG3 PRO 8 10.616 -0.099 6.152
58 HD2 PRO 8 HD3 PRO 8 9.632 -0.222 3.349
59 HD3 PRO 8 HD2 PRO 8 9.655 1.153 4.493
60 H LEU 9 H LEU 9 11.834 -0.705 1.731
61 HA LEU 9 HA LEU 9 14.313 -2.166 0.984
62 HB2 LEU 9 HB2 LEU 9 11.945 -2.857 0.441
63 HB3 LEU 9 HB3 LEU 9 11.813 -1.429 -0.615
64 HG LEU 9 HG LEU 9 14.013 -2.367 -1.712
65 HD11 LEU 9 HD11 LEU 9 14.391 -4.118 0.002
66 HD12 LEU 9 HD12 LEU 9 14.151 -4.839 -1.607
67 HD13 LEU 9 HD13 LEU 9 12.829 -4.862 -0.415
68 HD21 LEU 9 HD21 LEU 9 11.804 -2.223 -2.829
69 HD22 LEU 9 HD22 LEU 9 11.319 -3.757 -2.067
70 HD23 LEU 9 HD23 LEU 9 12.641 -3.734 -3.259
71 H ALA 10 H ALA 10 12.829 0.989 0.386
72 HA ALA 10 HA ALA 10 14.315 1.712 -1.990
73 HB1 ALA 10 HB1 ALA 10 13.698 4.020 -1.252
74 HB2 ALA 10 HB2 ALA 10 12.328 2.896 -1.079
75 HB3 ALA 10 HB3 ALA 10 13.269 3.380 0.353
76 H LEU 11 H LEU 11 15.112 1.797 1.474
77 HA LEU 11 HA LEU 11 17.570 3.377 1.127
78 HB2 LEU 11 HB2 LEU 11 16.158 1.766 3.242
79 HB3 LEU 11 HB3 LEU 11 17.882 2.127 3.498
80 HG LEU 11 HG LEU 11 15.794 4.234 2.798
81 HD11 LEU 11 HD11 LEU 11 15.313 3.215 5.008
82 HD12 LEU 11 HD12 LEU 11 15.925 4.876 5.189
83 HD13 LEU 11 HD13 LEU 11 17.000 3.492 5.503
84 HD21 LEU 11 HD21 LEU 11 17.576 5.787 3.552
85 HD22 LEU 11 HD22 LEU 11 18.138 4.776 2.199
86 HD23 LEU 11 HD23 LEU 11 18.650 4.402 3.863
87 H GLY 12 H GLY 12 16.717 -0.054 0.984
88 HA2 GLY 12 HA3 GLY 12 19.509 -0.981 1.154
89 HA3 GLY 12 HA2 GLY 12 18.103 -1.961 0.672
90 H ALA 13 H ALA 13 17.259 -0.035 -1.412
91 HA ALA 13 HA ALA 13 18.656 -1.143 -3.670
92 HB1 ALA 13 HB1 ALA 13 17.448 0.675 -4.887
93 HB2 ALA 13 HB2 ALA 13 16.396 -0.111 -3.685
94 HB3 ALA 13 HB3 ALA 13 17.115 1.479 -3.334
95 H LEU 14 H LEU 14 19.319 1.685 -1.650
96 HA LEU 14 HA LEU 14 21.296 2.844 -3.521
97 HB2 LEU 14 HB3 LEU 14 19.981 4.180 -1.910
98 HB3 LEU 14 HB2 LEU 14 20.668 3.254 -0.556
99 HG LEU 14 HG LEU 14 22.972 4.021 -1.367
100 HD11 LEU 14 HD11 LEU 14 22.267 4.676 -3.651
101 HD12 LEU 14 HD12 LEU 14 21.228 5.948 -2.964
102 HD13 LEU 14 HD13 LEU 14 22.996 6.051 -2.787
103 HD21 LEU 14 HD21 LEU 14 21.821 5.021 0.590
104 HD22 LEU 14 HD22 LEU 14 22.737 6.252 -0.312
105 HD23 LEU 14 HD23 LEU 14 20.969 6.150 -0.490
106 H LYS 15 H LYS 15 21.480 1.106 -0.364
107 HA LYS 15 HA LYS 15 24.343 0.992 -0.192
108 HB2 LYS 15 HB3 LYS 15 22.080 0.092 1.204
109 HB3 LYS 15 HB2 LYS 15 22.915 -1.412 0.750
110 HG2 LYS 15 HG2 LYS 15 24.580 -1.037 2.243
111 HG3 LYS 15 HG3 LYS 15 24.796 0.638 1.681
112 HD2 LYS 15 HD3 LYS 15 22.569 -0.282 3.552
113 HD3 LYS 15 HD2 LYS 15 24.080 0.490 4.088
114 HE2 LYS 15 HE3 LYS 15 22.652 1.941 1.916
115 HE3 LYS 15 HE2 LYS 15 21.790 1.891 3.481
116 HZ1 LYS 15 HZ1 LYS 15 23.400 3.703 3.402
117 HZ2 LYS 15 HZ2 LYS 15 23.841 2.597 4.544
118 HZ3 LYS 15 HZ3 LYS 15 24.628 2.645 3.095
119 H ASN 16 H ASN 16 22.056 -0.882 -2.128
120 HA ASN 16 HA ASN 16 23.914 -3.068 -2.763
121 HB2 ASN 16 HB3 ASN 16 21.324 -1.931 -3.883
122 HB3 ASN 16 HB2 ASN 16 22.145 -3.299 -4.672
123 HD21 ASN 16 HD21 ASN 16 23.033 -4.892 -2.632
124 HD22 ASN 16 HD22 ASN 16 21.709 -5.381 -1.599
125 H LEU 17 H LEU 17 23.067 0.067 -4.256
126 HA LEU 17 HA LEU 17 24.613 -0.393 -6.705
127 HB2 LEU 17 HB3 LEU 17 22.718 1.211 -6.434
128 HB3 LEU 17 HB2 LEU 17 23.694 2.157 -5.286
129 HG LEU 17 HG LEU 17 25.459 2.234 -7.221
130 HD11 LEU 17 HD11 LEU 17 24.316 0.561 -8.652
131 HD12 LEU 17 HD12 LEU 17 24.432 2.134 -9.476
132 HD13 LEU 17 HD13 LEU 17 22.890 1.621 -8.751
133 HD21 LEU 17 HD21 LEU 17 24.351 4.249 -8.153
134 HD22 LEU 17 HD22 LEU 17 24.178 4.185 -6.382
135 HD23 LEU 17 HD23 LEU 17 22.808 3.736 -7.427
136 H ILE 18 H ILE 18 25.273 1.130 -3.544
137 HA ILE 18 HA ILE 18 28.022 1.909 -4.418
138 HB ILE 18 HB ILE 18 28.076 2.858 -2.109
139 HG12 ILE 18 HG13 ILE 18 25.372 2.509 -1.294
140 HG13 ILE 18 HG12 ILE 18 25.971 0.890 -1.727
141 HG21 ILE 18 HG21 ILE 18 26.196 4.449 -2.396
142 HG22 ILE 18 HG22 ILE 18 25.462 3.363 -3.600
143 HG23 ILE 18 HG23 ILE 18 27.023 4.147 -3.942
144 HD11 ILE 18 HD11 ILE 18 26.437 1.404 0.654
145 HD12 ILE 18 HD12 ILE 18 27.349 2.851 0.163
146 HD13 ILE 18 HD13 ILE 18 27.948 1.232 -0.270
147 H LYS 19 H LYS 19 26.407 -0.725 -2.755
148 HA LYS 19 HA LYS 19 28.925 -2.260 -2.653
149 HB2 LYS 19 HB3 LYS 19 28.857 -0.526 -0.681
150 HB3 LYS 19 HB2 LYS 19 27.634 -1.613 0.019
151 HG2 LYS 19 HG2 LYS 19 30.144 -2.879 -1.017
152 HG3 LYS 19 HG3 LYS 19 30.280 -1.923 0.479
153 HD2 LYS 19 HD2 LYS 19 28.182 -3.252 1.267
154 HD3 LYS 19 HD3 LYS 19 28.571 -4.373 -0.060
155 HE2 LYS 19 HE3 LYS 19 30.381 -5.229 1.054
156 HE3 LYS 19 HE2 LYS 19 30.907 -3.619 1.627
157 HZ1 LYS 19 HZ1 LYS 19 30.047 -4.979 3.442
158 HZ2 LYS 19 HZ2 LYS 19 28.600 -5.156 2.671
159 HZ3 LYS 19 HZ3 LYS 19 29.075 -3.668 3.202
160 HN1 NH2 20 H1 NH2 20 27.351 -3.661 -3.906
161 HN2 NH2 20 H2 NH2 20 26.188 -4.620 -3.020
Start of MODEL 2
1 H1 ACE 1 HH31 ACE 1 -2.245 -1.629 3.648
2 H2 ACE 1 HH32 ACE 1 -1.906 -1.855 1.916
3 H3 ACE 1 HH33 ACE 1 -1.490 -0.318 2.711
4 H ILE 2 H ILE 2 0.599 -1.263 1.455
5 HA ILE 2 HA ILE 2 2.264 -2.541 3.639
6 HB ILE 2 HB ILE 2 3.312 -3.929 1.818
7 HG12 ILE 2 HG13 ILE 2 1.002 -3.288 0.008
8 HG13 ILE 2 HG12 ILE 2 2.340 -2.116 0.076
9 HG21 ILE 2 HG21 ILE 2 1.459 -4.835 3.193
10 HG22 ILE 2 HG22 ILE 2 1.389 -5.463 1.529
11 HG23 ILE 2 HG23 ILE 2 0.278 -4.169 2.040
12 HD11 ILE 2 HD11 ILE 2 2.722 -3.801 -1.703
13 HD12 ILE 2 HD12 ILE 2 3.954 -3.930 -0.425
14 HD13 ILE 2 HD13 ILE 2 2.617 -5.102 -0.493
15 H PHE 3 H PHE 3 1.908 0.277 2.500
16 HA PHE 3 HA PHE 3 4.192 0.956 0.860
17 HB2 PHE 3 HB2 PHE 3 2.167 2.359 1.348
18 HB3 PHE 3 HB3 PHE 3 2.745 2.567 3.019
19 HD1 PHE 3 HD1 PHE 3 4.127 2.821 -0.477
20 HD2 PHE 3 HD2 PHE 3 3.916 4.525 3.460
21 HE1 PHE 3 HE1 PHE 3 5.571 4.696 -1.214
22 HE2 PHE 3 HE2 PHE 3 5.361 6.402 2.723
23 HZ PHE 3 HZ PHE 3 6.185 6.491 0.386
24 H GLY 4 H GLY 4 3.775 0.673 4.402
25 HA2 GLY 4 HA2 GLY 4 6.329 1.782 5.145
26 HA3 GLY 4 HA3 GLY 4 5.402 0.612 6.114
27 H ALA 5 H ALA 5 5.486 -1.216 3.599
28 HA ALA 5 HA ALA 5 8.051 -2.544 4.384
29 HB1 ALA 5 HB1 ALA 5 7.081 -4.378 2.989
30 HB2 ALA 5 HB2 ALA 5 5.906 -3.780 4.184
31 HB3 ALA 5 HB3 ALA 5 5.773 -3.283 2.480
32 H ILE 6 H ILE 6 6.814 -0.491 1.850
33 HA ILE 6 HA ILE 6 8.788 -1.394 -0.181
34 HB ILE 6 HB ILE 6 6.925 1.023 0.025
35 HG12 ILE 6 HG13 ILE 6 5.730 -1.144 0.118
36 HG13 ILE 6 HG12 ILE 6 5.433 -0.323 -1.432
37 HG21 ILE 6 HG21 ILE 6 8.337 1.650 -1.703
38 HG22 ILE 6 HG22 ILE 6 8.764 -0.031 -2.106
39 HG23 ILE 6 HG23 ILE 6 7.194 0.635 -2.615
40 HD11 ILE 6 HD11 ILE 6 5.954 -2.441 -2.219
41 HD12 ILE 6 HD12 ILE 6 7.588 -1.739 -2.170
42 HD13 ILE 6 HD13 ILE 6 7.035 -2.799 -0.851
43 H TRP 7 H TRP 7 8.459 1.223 2.215
44 HA TRP 7 HA TRP 7 10.608 2.894 1.241
45 HB2 TRP 7 HB2 TRP 7 8.762 2.769 3.387
46 HB3 TRP 7 HB3 TRP 7 10.367 2.817 4.154
47 HD1 TRP 7 HD1 TRP 7 7.819 5.057 2.850
48 HE1 TRP 7 HE1 TRP 7 8.752 7.408 2.341
49 HE3 TRP 7 HE3 TRP 7 12.813 4.001 2.995
50 HZ2 TRP 7 HZ2 TRP 7 11.338 8.649 2.034
51 HZ3 TRP 7 HZ3 TRP 7 14.489 5.782 2.589
52 HH2 TRP 7 HH2 TRP 7 13.758 8.102 2.112
53 HA PRO 8 HA PRO 8 13.347 0.398 4.490
54 HB2 PRO 8 HB2 PRO 8 11.988 -2.256 4.178
55 HB3 PRO 8 HB3 PRO 8 12.683 -1.497 5.639
56 HG2 PRO 8 HG2 PRO 8 10.016 -1.665 5.194
57 HG3 PRO 8 HG3 PRO 8 10.773 -0.336 6.111
58 HD2 PRO 8 HD2 PRO 8 9.592 -0.325 3.383
59 HD3 PRO 8 HD3 PRO 8 9.795 1.011 4.555
60 H LEU 9 H LEU 9 11.736 -0.990 1.642
61 HA LEU 9 HA LEU 9 14.126 -2.474 0.741
62 HB2 LEU 9 HB2 LEU 9 11.428 -1.657 -0.408
63 HB3 LEU 9 HB3 LEU 9 12.631 -2.519 -1.397
64 HG LEU 9 HG LEU 9 11.904 -3.572 1.342
65 HD11 LEU 9 HD11 LEU 9 10.442 -4.622 -1.055
66 HD12 LEU 9 HD12 LEU 9 9.883 -3.073 -0.381
67 HD13 LEU 9 HD13 LEU 9 9.922 -4.527 0.645
68 HD21 LEU 9 HD21 LEU 9 12.495 -5.717 0.244
69 HD22 LEU 9 HD22 LEU 9 13.816 -4.534 0.091
70 HD23 LEU 9 HD23 LEU 9 12.748 -4.859 -1.295
71 H ALA 10 H ALA 10 12.829 0.783 0.362
72 HA ALA 10 HA ALA 10 14.326 1.505 -2.038
73 HB1 ALA 10 HB1 ALA 10 13.335 3.570 -1.638
74 HB2 ALA 10 HB2 ALA 10 13.666 3.503 0.110
75 HB3 ALA 10 HB3 ALA 10 12.313 2.572 -0.576
76 H LEU 11 H LEU 11 15.101 1.394 1.416
77 HA LEU 11 HA LEU 11 17.553 3.021 1.162
78 HB2 LEU 11 HB2 LEU 11 16.039 1.439 3.197
79 HB3 LEU 11 HB3 LEU 11 17.788 1.593 3.491
80 HG LEU 11 HG LEU 11 16.025 3.980 2.815
81 HD11 LEU 11 HD11 LEU 11 15.192 2.912 4.894
82 HD12 LEU 11 HD12 LEU 11 16.001 4.457 5.249
83 HD13 LEU 11 HD13 LEU 11 16.843 2.920 5.559
84 HD21 LEU 11 HD21 LEU 11 17.914 5.221 3.836
85 HD22 LEU 11 HD22 LEU 11 18.756 3.684 4.147
86 HD23 LEU 11 HD23 LEU 11 18.471 4.219 2.474
87 H GLY 12 H GLY 12 16.692 -0.369 0.756
88 HA2 GLY 12 HA2 GLY 12 19.482 -1.319 1.014
89 HA3 GLY 12 HA3 GLY 12 18.089 -2.279 0.462
90 H ALA 13 H ALA 13 17.278 -0.343 -1.599
91 HA ALA 13 HA ALA 13 18.818 -1.355 -3.821
92 HB1 ALA 13 HB1 ALA 13 17.545 0.400 -5.062
93 HB2 ALA 13 HB2 ALA 13 17.103 1.159 -3.514
94 HB3 ALA 13 HB3 ALA 13 16.499 -0.468 -3.912
95 H LEU 14 H LEU 14 19.157 1.550 -1.808
96 HA LEU 14 HA LEU 14 21.185 2.789 -3.567
97 HB2 LEU 14 HB3 LEU 14 19.661 4.064 -2.088
98 HB3 LEU 14 HB2 LEU 14 20.326 3.231 -0.663
99 HG LEU 14 HG LEU 14 22.617 4.147 -1.372
100 HD11 LEU 14 HD11 LEU 14 21.986 4.705 -3.704
101 HD12 LEU 14 HD12 LEU 14 22.563 6.147 -2.834
102 HD13 LEU 14 HD13 LEU 14 20.819 5.906 -3.100
103 HD21 LEU 14 HD21 LEU 14 21.292 5.090 0.500
104 HD22 LEU 14 HD22 LEU 14 20.414 6.130 -0.647
105 HD23 LEU 14 HD23 LEU 14 22.157 6.372 -0.381
106 H LYS 15 H LYS 15 21.244 1.161 -0.350
107 HA LYS 15 HA LYS 15 24.077 1.234 0.059
108 HB2 LYS 15 HB2 LYS 15 21.780 0.212 1.278
109 HB3 LYS 15 HB3 LYS 15 22.712 -1.255 0.895
110 HG2 LYS 15 HG2 LYS 15 23.902 -0.822 2.776
111 HG3 LYS 15 HG3 LYS 15 24.644 0.518 1.869
112 HD2 LYS 15 HD3 LYS 15 22.016 0.806 3.379
113 HD3 LYS 15 HD2 LYS 15 23.597 1.146 4.122
114 HE2 LYS 15 HE2 LYS 15 24.031 2.726 2.125
115 HE3 LYS 15 HE3 LYS 15 22.290 2.554 1.758
116 HZ1 LYS 15 HZ1 LYS 15 22.702 4.385 3.292
117 HZ2 LYS 15 HZ2 LYS 15 21.810 3.206 4.024
118 HZ3 LYS 15 HZ3 LYS 15 23.415 3.362 4.372
119 H ASN 16 H ASN 16 22.108 -0.835 -2.028
120 HA ASN 16 HA ASN 16 24.247 -2.824 -2.482
121 HB2 ASN 16 HB2 ASN 16 21.570 -2.092 -3.736
122 HB3 ASN 16 HB3 ASN 16 22.583 -3.400 -4.393
123 HD21 ASN 16 HD21 ASN 16 19.922 -3.724 -3.111
124 HD22 ASN 16 HD22 ASN 16 20.187 -4.727 -1.702
125 H LEU 17 H LEU 17 23.179 0.215 -3.952
126 HA LEU 17 HA LEU 17 24.733 -0.148 -6.433
127 HB2 LEU 17 HB2 LEU 17 22.673 1.259 -6.148
128 HB3 LEU 17 HB3 LEU 17 23.586 2.334 -5.062
129 HG LEU 17 HG LEU 17 24.950 1.821 -7.633
130 HD11 LEU 17 HD11 LEU 17 22.599 1.792 -8.426
131 HD12 LEU 17 HD12 LEU 17 22.298 3.331 -7.584
132 HD13 LEU 17 HD13 LEU 17 23.434 3.273 -8.953
133 HD21 LEU 17 HD21 LEU 17 25.645 3.527 -5.971
134 HD22 LEU 17 HD22 LEU 17 25.211 4.284 -7.522
135 HD23 LEU 17 HD23 LEU 17 24.074 4.343 -6.153
136 H ILE 18 H ILE 18 25.333 1.157 -3.203
137 HA ILE 18 HA ILE 18 27.898 2.426 -4.088
138 HB ILE 18 HB ILE 18 27.938 3.104 -1.668
139 HG12 ILE 18 HG12 ILE 18 25.194 1.862 -1.384
140 HG13 ILE 18 HG13 ILE 18 26.646 0.888 -1.052
141 HG21 ILE 18 HG21 ILE 18 26.722 4.471 -3.343
142 HG22 ILE 18 HG22 ILE 18 25.911 4.522 -1.760
143 HG23 ILE 18 HG23 ILE 18 25.254 3.503 -3.064
144 HD11 ILE 18 HD11 ILE 18 25.814 1.977 1.014
145 HD12 ILE 18 HD12 ILE 18 25.969 3.570 0.236
146 HD13 ILE 18 HD13 ILE 18 27.422 2.597 0.568
147 H LYS 19 H LYS 19 26.729 -0.554 -2.656
148 HA LYS 19 HA LYS 19 29.578 -1.299 -1.924
149 HB2 LYS 19 HB3 LYS 19 27.247 -1.347 -0.459
150 HB3 LYS 19 HB2 LYS 19 27.265 -3.001 -1.116
151 HG2 LYS 19 HG3 LYS 19 29.736 -1.785 0.160
152 HG3 LYS 19 HG2 LYS 19 28.486 -2.585 1.143
153 HD2 LYS 19 HD2 LYS 19 28.909 -4.683 0.220
154 HD3 LYS 19 HD3 LYS 19 29.535 -4.004 -1.302
155 HE2 LYS 19 HE2 LYS 19 31.098 -3.323 1.159
156 HE3 LYS 19 HE3 LYS 19 31.158 -5.030 0.632
157 HZ1 LYS 19 HZ1 LYS 19 32.792 -3.678 -0.539
158 HZ2 LYS 19 HZ2 LYS 19 31.606 -2.686 -1.114
159 HZ3 LYS 19 HZ3 LYS 19 31.665 -4.264 -1.591
160 HN1 NH2 20 H1 NH2 20 30.324 -2.101 -3.992
161 HN2 NH2 20 H2 NH2 20 29.584 -3.477 -4.778
Start of MODEL 3
1 H1 ACE 1 HH31 ACE 1 -1.349 -1.358 4.962
2 H2 ACE 1 HH32 ACE 1 -0.999 -0.422 3.490
3 H3 ACE 1 HH33 ACE 1 -1.620 -2.085 3.360
4 H ILE 2 H ILE 2 0.554 -1.833 1.933
5 HA ILE 2 HA ILE 2 2.719 -3.070 3.653
6 HB ILE 2 HB ILE 2 2.178 -3.142 0.642
7 HG12 ILE 2 HG12 ILE 2 1.704 -5.285 2.759
8 HG13 ILE 2 HG13 ILE 2 0.426 -4.237 2.100
9 HG21 ILE 2 HG21 ILE 2 3.693 -5.356 1.310
10 HG22 ILE 2 HG22 ILE 2 4.346 -3.849 0.623
11 HG23 ILE 2 HG23 ILE 2 4.371 -4.108 2.384
12 HD11 ILE 2 HD11 ILE 2 0.499 -6.408 0.905
13 HD12 ILE 2 HD12 ILE 2 2.201 -6.115 0.476
14 HD13 ILE 2 HD13 ILE 2 0.924 -5.066 -0.184
15 H PHE 3 H PHE 3 2.155 -0.089 3.158
16 HA PHE 3 HA PHE 3 4.209 0.927 1.361
17 HB2 PHE 3 HB2 PHE 3 2.196 2.148 2.236
18 HB3 PHE 3 HB3 PHE 3 2.932 2.148 3.858
19 HD1 PHE 3 HD1 PHE 3 4.010 4.116 4.453
20 HD2 PHE 3 HD2 PHE 3 4.008 2.920 0.329
21 HE1 PHE 3 HE1 PHE 3 5.307 6.146 3.864
22 HE2 PHE 3 HE2 PHE 3 5.306 4.948 -0.262
23 HZ PHE 3 HZ PHE 3 5.957 6.561 1.506
24 H GLY 4 H GLY 4 4.161 0.127 4.846
25 HA2 GLY 4 HA2 GLY 4 6.744 1.246 5.484
26 HA3 GLY 4 HA3 GLY 4 5.949 -0.071 6.378
27 H ALA 5 H ALA 5 5.849 -1.531 3.609
28 HA ALA 5 HA ALA 5 8.516 -2.850 3.993
29 HB1 ALA 5 HB1 ALA 5 7.347 -4.682 3.285
30 HB2 ALA 5 HB2 ALA 5 6.695 -3.814 1.874
31 HB3 ALA 5 HB3 ALA 5 5.898 -3.663 3.458
32 H ILE 6 H ILE 6 6.920 -0.619 1.819
33 HA ILE 6 HA ILE 6 8.752 -1.182 -0.457
34 HB ILE 6 HB ILE 6 6.764 1.069 0.124
35 HG12 ILE 6 HG12 ILE 6 6.390 -1.445 -1.557
36 HG13 ILE 6 HG13 ILE 6 5.851 -1.310 0.134
37 HG21 ILE 6 HG21 ILE 6 8.400 1.615 -1.660
38 HG22 ILE 6 HG22 ILE 6 6.774 1.362 -2.338
39 HG23 ILE 6 HG23 ILE 6 8.008 0.087 -2.486
40 HD11 ILE 6 HD11 ILE 6 4.003 -0.780 -1.434
41 HD12 ILE 6 HD12 ILE 6 4.451 0.647 -0.470
42 HD13 ILE 6 HD13 ILE 6 4.990 0.511 -2.161
43 H TRP 7 H TRP 7 8.558 1.046 2.290
44 HA TRP 7 HA TRP 7 10.456 3.008 1.265
45 HB2 TRP 7 HB3 TRP 7 8.847 2.504 3.572
46 HB3 TRP 7 HB2 TRP 7 10.518 2.708 4.153
47 HD1 TRP 7 HD1 TRP 7 7.602 4.706 3.459
48 HE1 TRP 7 HE1 TRP 7 8.173 7.175 2.982
49 HE3 TRP 7 HE3 TRP 7 12.618 4.233 2.628
50 HZ2 TRP 7 HZ2 TRP 7 10.515 8.725 2.320
51 HZ3 TRP 7 HZ3 TRP 7 13.994 6.218 2.072
52 HH2 TRP 7 HH2 TRP 7 12.950 8.462 1.923
53 HA PRO 8 HA PRO 8 13.645 0.447 3.975
54 HB2 PRO 8 HB2 PRO 8 12.426 -2.269 3.665
55 HB3 PRO 8 HB3 PRO 8 13.200 -1.526 5.093
56 HG2 PRO 8 HG2 PRO 8 10.522 -1.872 4.878
57 HG3 PRO 8 HG3 PRO 8 11.268 -0.537 5.795
58 HD2 PRO 8 HD2 PRO 8 9.859 -0.484 3.174
59 HD3 PRO 8 HD3 PRO 8 10.042 0.797 4.408
60 H LEU 9 H LEU 9 11.810 -0.723 1.188
61 HA LEU 9 HA LEU 9 14.094 -2.148 -0.034
62 HB2 LEU 9 HB3 LEU 9 11.441 -2.310 -0.294
63 HB3 LEU 9 HB2 LEU 9 11.705 -1.067 -1.541
64 HG LEU 9 HG LEU 9 13.279 -3.671 -1.446
65 HD11 LEU 9 HD11 LEU 9 10.862 -4.167 -1.710
66 HD12 LEU 9 HD12 LEU 9 11.747 -4.471 -3.224
67 HD13 LEU 9 HD13 LEU 9 10.769 -2.994 -3.046
68 HD21 LEU 9 HD21 LEU 9 13.126 -2.787 -4.054
69 HD22 LEU 9 HD22 LEU 9 13.165 -1.251 -3.157
70 HD23 LEU 9 HD23 LEU 9 14.475 -2.437 -2.947
71 H ALA 10 H ALA 10 12.785 1.138 -0.074
72 HA ALA 10 HA ALA 10 14.138 2.041 -2.493
73 HB1 ALA 10 HB1 ALA 10 13.611 4.280 -1.515
74 HB2 ALA 10 HB2 ALA 10 12.224 3.172 -1.384
75 HB3 ALA 10 HB3 ALA 10 13.238 3.501 0.041
76 H LEU 11 H LEU 11 15.016 2.132 0.986
77 HA LEU 11 HA LEU 11 17.570 3.502 0.520
78 HB2 LEU 11 HB2 LEU 11 16.080 2.112 2.727
79 HB3 LEU 11 HB3 LEU 11 17.836 2.303 2.940
80 HG LEU 11 HG LEU 11 16.174 4.659 2.032
81 HD11 LEU 11 HD11 LEU 11 15.020 3.754 4.031
82 HD12 LEU 11 HD12 LEU 11 15.846 5.285 4.408
83 HD13 LEU 11 HD13 LEU 11 16.565 3.737 4.915
84 HD21 LEU 11 HD21 LEU 11 17.966 5.885 3.232
85 HD22 LEU 11 HD22 LEU 11 18.684 4.337 3.739
86 HD23 LEU 11 HD23 LEU 11 18.651 4.780 2.015
87 H GLY 12 H GLY 12 16.497 0.127 0.562
88 HA2 GLY 12 HA2 GLY 12 19.159 -1.039 0.811
89 HA3 GLY 12 HA3 GLY 12 17.712 -1.871 0.192
90 H ALA 13 H ALA 13 17.194 0.108 -1.915
91 HA ALA 13 HA ALA 13 18.747 -1.065 -4.049
92 HB1 ALA 13 HB1 ALA 13 17.688 0.774 -5.368
93 HB2 ALA 13 HB2 ALA 13 17.236 1.587 -3.851
94 HB3 ALA 13 HB3 ALA 13 16.518 0.011 -4.265
95 H LEU 14 H LEU 14 19.287 1.765 -1.991
96 HA LEU 14 HA LEU 14 21.473 2.824 -3.695
97 HB2 LEU 14 HB3 LEU 14 20.012 4.264 -2.323
98 HB3 LEU 14 HB2 LEU 14 20.502 3.392 -0.851
99 HG LEU 14 HG LEU 14 22.891 4.083 -1.342
100 HD11 LEU 14 HD11 LEU 14 22.586 4.526 -3.766
101 HD12 LEU 14 HD12 LEU 14 21.496 5.878 -3.381
102 HD13 LEU 14 HD13 LEU 14 23.215 5.964 -2.928
103 HD21 LEU 14 HD21 LEU 14 22.564 6.413 -0.555
104 HD22 LEU 14 HD22 LEU 14 20.845 6.323 -1.005
105 HD23 LEU 14 HD23 LEU 14 21.479 5.291 0.299
106 H LYS 15 H LYS 15 21.235 1.203 -0.484
107 HA LYS 15 HA LYS 15 24.068 1.063 0.020
108 HB2 LYS 15 HB3 LYS 15 21.524 -0.122 0.962
109 HB3 LYS 15 HB2 LYS 15 22.928 -1.191 1.194
110 HG2 LYS 15 HG2 LYS 15 22.721 0.203 3.172
111 HG3 LYS 15 HG3 LYS 15 24.139 0.766 2.255
112 HD2 LYS 15 HD3 LYS 15 23.107 2.806 2.608
113 HD3 LYS 15 HD2 LYS 15 22.281 2.334 1.104
114 HE2 LYS 15 HE2 LYS 15 20.290 2.402 2.209
115 HE3 LYS 15 HE3 LYS 15 20.874 1.115 3.303
116 HZ1 LYS 15 HZ1 LYS 15 20.400 3.162 4.508
117 HZ2 LYS 15 HZ2 LYS 15 22.008 2.804 4.586
118 HZ3 LYS 15 HZ3 LYS 15 21.477 3.997 3.579
119 H ASN 16 H ASN 16 22.008 -0.775 -2.149
120 HA ASN 16 HA ASN 16 23.790 -3.111 -2.362
121 HB2 ASN 16 HB2 ASN 16 21.368 -1.940 -3.715
122 HB3 ASN 16 HB3 ASN 16 22.288 -3.180 -4.602
123 HD21 ASN 16 HD21 ASN 16 22.872 -5.201 -3.127
124 HD22 ASN 16 HD22 ASN 16 21.578 -5.757 -2.088
125 H LEU 17 H LEU 17 23.361 -0.046 -4.164
126 HA LEU 17 HA LEU 17 25.245 -0.792 -6.299
127 HB2 LEU 17 HB3 LEU 17 23.717 1.611 -5.323
128 HB3 LEU 17 HB2 LEU 17 25.094 1.906 -6.410
129 HG LEU 17 HG LEU 17 22.952 1.627 -7.661
130 HD11 LEU 17 HD11 LEU 17 25.105 0.979 -8.707
131 HD12 LEU 17 HD12 LEU 17 24.937 -0.660 -8.034
132 HD13 LEU 17 HD13 LEU 17 23.781 -0.077 -9.255
133 HD21 LEU 17 HD21 LEU 17 21.728 -0.425 -7.625
134 HD22 LEU 17 HD22 LEU 17 22.040 -0.034 -5.917
135 HD23 LEU 17 HD23 LEU 17 23.022 -1.269 -6.740
136 H ILE 18 H ILE 18 25.472 0.872 -3.166
137 HA ILE 18 HA ILE 18 28.311 1.647 -3.690
138 HB ILE 18 HB ILE 18 28.056 2.676 -1.436
139 HG12 ILE 18 HG12 ILE 18 25.293 2.324 -0.919
140 HG13 ILE 18 HG13 ILE 18 25.924 0.695 -1.263
141 HG21 ILE 18 HG21 ILE 18 26.203 4.224 -2.003
142 HG22 ILE 18 HG22 ILE 18 25.636 3.087 -3.249
143 HG23 ILE 18 HG23 ILE 18 27.216 3.887 -3.427
144 HD11 ILE 18 HD11 ILE 18 26.135 1.241 1.148
145 HD12 ILE 18 HD12 ILE 18 27.105 2.676 0.738
146 HD13 ILE 18 HD13 ILE 18 27.736 1.048 0.394
147 H LYS 19 H LYS 19 26.501 -0.951 -2.183
148 HA LYS 19 HA LYS 19 29.108 -2.017 -1.043
149 HB2 LYS 19 HB2 LYS 19 26.819 -1.281 0.300
150 HB3 LYS 19 HB3 LYS 19 26.495 -3.005 -0.001
151 HG2 LYS 19 HG2 LYS 19 28.436 -3.694 1.179
152 HG3 LYS 19 HG3 LYS 19 29.167 -2.073 1.099
153 HD2 LYS 19 HD3 LYS 19 27.897 -1.265 2.852
154 HD3 LYS 19 HD2 LYS 19 26.512 -2.316 2.472
155 HE2 LYS 19 HE2 LYS 19 27.635 -4.255 3.437
156 HE3 LYS 19 HE3 LYS 19 29.152 -3.329 3.633
157 HZ1 LYS 19 HZ1 LYS 19 27.837 -3.328 5.670
158 HZ2 LYS 19 HZ2 LYS 19 27.963 -1.800 5.062
159 HZ3 LYS 19 HZ3 LYS 19 26.558 -2.645 4.883
160 HN1 NH2 20 H1 NH2 20 27.746 -5.434 -2.034
161 HN2 NH2 20 H2 NH2 20 28.089 -4.657 -0.504
Start of MODEL 4
1 H1 ACE 1 HH31 ACE 1 -1.282 -0.994 5.090
2 H2 ACE 1 HH32 ACE 1 -1.003 -0.094 3.580
3 H3 ACE 1 HH33 ACE 1 -1.661 -1.746 3.522
4 H ILE 2 H ILE 2 0.429 -1.567 1.962
5 HA ILE 2 HA ILE 2 2.657 -2.831 3.572
6 HB ILE 2 HB ILE 2 3.245 -3.809 1.336
7 HG12 ILE 2 HG12 ILE 2 0.669 -2.880 0.149
8 HG13 ILE 2 HG13 ILE 2 1.949 -1.650 0.277
9 HG21 ILE 2 HG21 ILE 2 1.657 -4.981 2.838
10 HG22 ILE 2 HG22 ILE 2 0.305 -4.084 2.106
11 HG23 ILE 2 HG23 ILE 2 1.236 -5.244 1.129
12 HD11 ILE 2 HD11 ILE 2 2.087 -2.855 -1.887
13 HD12 ILE 2 HD12 ILE 2 3.526 -3.169 -0.888
14 HD13 ILE 2 HD13 ILE 2 2.246 -4.399 -1.017
15 H PHE 3 H PHE 3 2.213 0.133 3.251
16 HA PHE 3 HA PHE 3 4.213 1.096 1.317
17 HB2 PHE 3 HB3 PHE 3 2.215 2.359 2.172
18 HB3 PHE 3 HB2 PHE 3 2.964 2.397 3.787
19 HD1 PHE 3 HD1 PHE 3 4.010 4.398 4.312
20 HD2 PHE 3 HD2 PHE 3 4.069 3.032 0.240
21 HE1 PHE 3 HE1 PHE 3 5.322 6.400 3.659
22 HE2 PHE 3 HE2 PHE 3 5.381 5.033 -0.413
23 HZ PHE 3 HZ PHE 3 6.005 6.718 1.296
24 H GLY 4 H GLY 4 4.174 0.373 4.818
25 HA2 GLY 4 HA3 GLY 4 6.794 1.477 5.383
26 HA3 GLY 4 HA2 GLY 4 5.960 0.246 6.359
27 H ALA 5 H ALA 5 5.806 -1.330 3.629
28 HA ALA 5 HA ALA 5 8.395 -2.764 4.117
29 HB1 ALA 5 HB1 ALA 5 7.286 -4.468 2.664
30 HB2 ALA 5 HB2 ALA 5 5.958 -3.324 2.355
31 HB3 ALA 5 HB3 ALA 5 6.222 -3.959 3.997
32 H ILE 6 H ILE 6 6.928 -0.574 1.802
33 HA ILE 6 HA ILE 6 8.789 -1.303 -0.397
34 HB ILE 6 HB ILE 6 6.850 1.016 0.069
35 HG12 ILE 6 HG13 ILE 6 6.523 -1.514 -1.602
36 HG13 ILE 6 HG12 ILE 6 5.886 -1.330 0.050
37 HG21 ILE 6 HG21 ILE 6 8.571 1.535 -1.643
38 HG22 ILE 6 HG22 ILE 6 8.195 0.012 -2.482
39 HG23 ILE 6 HG23 ILE 6 6.973 1.303 -2.392
40 HD11 ILE 6 HD11 ILE 6 4.149 -0.801 -1.638
41 HD12 ILE 6 HD12 ILE 6 4.567 0.638 -0.677
42 HD13 ILE 6 HD13 ILE 6 5.204 0.455 -2.329
43 H TRP 7 H TRP 7 8.598 1.095 2.213
44 HA TRP 7 HA TRP 7 10.611 2.913 1.170
45 HB2 TRP 7 HB2 TRP 7 8.963 2.525 3.492
46 HB3 TRP 7 HB3 TRP 7 10.635 2.756 4.057
47 HD1 TRP 7 HD1 TRP 7 7.731 4.728 3.317
48 HE1 TRP 7 HE1 TRP 7 8.298 7.165 2.692
49 HE3 TRP 7 HE3 TRP 7 12.720 4.184 2.389
50 HZ2 TRP 7 HZ2 TRP 7 10.630 8.665 1.891
51 HZ3 TRP 7 HZ3 TRP 7 14.091 6.128 1.691
52 HH2 TRP 7 HH2 TRP 7 13.054 8.367 1.447
53 HA PRO 8 HA PRO 8 13.632 0.331 4.075
54 HB2 PRO 8 HB3 PRO 8 12.301 -2.333 3.750
55 HB3 PRO 8 HB2 PRO 8 13.090 -1.629 5.190
56 HG2 PRO 8 HG2 PRO 8 10.401 -1.839 4.923
57 HG3 PRO 8 HG3 PRO 8 11.192 -0.538 5.851
58 HD2 PRO 8 HD2 PRO 8 9.816 -0.420 3.221
59 HD3 PRO 8 HD3 PRO 8 10.087 0.864 4.437
60 H LEU 9 H LEU 9 11.844 -0.895 1.269
61 HA LEU 9 HA LEU 9 14.148 -2.359 0.142
62 HB2 LEU 9 HB2 LEU 9 11.512 -2.538 -0.177
63 HB3 LEU 9 HB3 LEU 9 11.789 -1.313 -1.438
64 HG LEU 9 HG LEU 9 13.570 -2.829 -2.407
65 HD11 LEU 9 HD11 LEU 9 14.010 -4.133 -0.344
66 HD12 LEU 9 HD12 LEU 9 13.545 -5.202 -1.689
67 HD13 LEU 9 HD13 LEU 9 12.363 -4.806 -0.419
68 HD21 LEU 9 HD21 LEU 9 11.943 -4.397 -3.429
69 HD22 LEU 9 HD22 LEU 9 10.762 -3.999 -2.158
70 HD23 LEU 9 HD23 LEU 9 11.269 -2.753 -3.325
71 H ALA 10 H ALA 10 12.862 0.928 -0.007
72 HA ALA 10 HA ALA 10 14.373 1.723 -2.402
73 HB1 ALA 10 HB1 ALA 10 13.649 3.990 -1.637
74 HB2 ALA 10 HB2 ALA 10 13.146 3.292 -0.079
75 HB3 ALA 10 HB3 ALA 10 12.304 2.826 -1.577
76 H LEU 11 H LEU 11 14.968 1.700 1.100
77 HA LEU 11 HA LEU 11 17.427 3.331 0.904
78 HB2 LEU 11 HB2 LEU 11 15.811 1.837 2.935
79 HB3 LEU 11 HB3 LEU 11 17.535 2.058 3.318
80 HG LEU 11 HG LEU 11 16.039 4.439 2.272
81 HD11 LEU 11 HD11 LEU 11 15.191 4.959 4.544
82 HD12 LEU 11 HD12 LEU 11 15.770 3.379 5.122
83 HD13 LEU 11 HD13 LEU 11 14.462 3.461 3.918
84 HD21 LEU 11 HD21 LEU 11 17.527 5.577 3.899
85 HD22 LEU 11 HD22 LEU 11 18.102 3.995 4.478
86 HD23 LEU 11 HD23 LEU 11 18.459 4.517 2.814
87 H GLY 12 H GLY 12 16.576 -0.096 0.753
88 HA2 GLY 12 HA2 GLY 12 19.354 -1.017 1.156
89 HA3 GLY 12 HA3 GLY 12 17.981 -2.017 0.625
90 H ALA 13 H ALA 13 17.254 -0.210 -1.588
91 HA ALA 13 HA ALA 13 18.851 -1.378 -3.689
92 HB1 ALA 13 HB1 ALA 13 17.639 0.309 -5.079
93 HB2 ALA 13 HB2 ALA 13 16.547 -0.472 -3.910
94 HB3 ALA 13 HB3 ALA 13 17.159 1.170 -3.597
95 H LEU 14 H LEU 14 19.238 1.567 -1.776
96 HA LEU 14 HA LEU 14 21.266 2.750 -3.575
97 HB2 LEU 14 HB2 LEU 14 19.769 4.065 -2.099
98 HB3 LEU 14 HB3 LEU 14 20.452 3.257 -0.669
99 HG LEU 14 HG LEU 14 22.722 4.150 -1.345
100 HD11 LEU 14 HD11 LEU 14 22.203 4.504 -3.743
101 HD12 LEU 14 HD12 LEU 14 21.026 5.764 -3.303
102 HD13 LEU 14 HD13 LEU 14 22.759 6.013 -2.980
103 HD21 LEU 14 HD21 LEU 14 22.247 6.462 -0.578
104 HD22 LEU 14 HD22 LEU 14 21.327 5.272 0.372
105 HD23 LEU 14 HD23 LEU 14 20.515 6.213 -0.902
106 H LYS 15 H LYS 15 21.349 1.181 -0.324
107 HA LYS 15 HA LYS 15 24.193 1.228 0.022
108 HB2 LYS 15 HB2 LYS 15 21.830 0.065 1.193
109 HB3 LYS 15 HB3 LYS 15 23.060 -1.214 1.060
110 HG2 LYS 15 HG2 LYS 15 23.367 -0.087 3.195
111 HG3 LYS 15 HG3 LYS 15 24.717 0.370 2.129
112 HD2 LYS 15 HD3 LYS 15 23.930 2.397 3.177
113 HD3 LYS 15 HD2 LYS 15 23.370 2.435 1.488
114 HE2 LYS 15 HE2 LYS 15 21.152 2.247 2.094
115 HE3 LYS 15 HE3 LYS 15 21.520 1.122 3.434
116 HZ1 LYS 15 HZ1 LYS 15 20.888 3.312 4.256
117 HZ2 LYS 15 HZ2 LYS 15 22.452 2.974 4.653
118 HZ3 LYS 15 HZ3 LYS 15 22.122 4.018 3.419
119 H ASN 16 H ASN 16 22.112 -0.990 -1.826
120 HA ASN 16 HA ASN 16 24.159 -3.016 -2.308
121 HB2 ASN 16 HB2 ASN 16 21.514 -2.148 -3.506
122 HB3 ASN 16 HB3 ASN 16 22.480 -3.400 -4.323
123 HD21 ASN 16 HD21 ASN 16 21.508 -2.611 -0.900
124 HD22 ASN 16 HD22 ASN 16 21.097 -4.263 -0.497
125 H LEU 17 H LEU 17 23.143 -0.048 -4.026
126 HA LEU 17 HA LEU 17 24.775 -0.502 -6.398
127 HB2 LEU 17 HB2 LEU 17 22.804 1.085 -6.037
128 HB3 LEU 17 HB3 LEU 17 23.911 2.134 -5.119
129 HG LEU 17 HG LEU 17 25.394 1.701 -7.376
130 HD11 LEU 17 HD11 LEU 17 23.570 0.400 -8.440
131 HD12 LEU 17 HD12 LEU 17 22.466 1.780 -8.233
132 HD13 LEU 17 HD13 LEU 17 23.869 1.918 -9.319
133 HD21 LEU 17 HD21 LEU 17 24.868 3.883 -6.322
134 HD22 LEU 17 HD22 LEU 17 24.627 3.949 -8.084
135 HD23 LEU 17 HD23 LEU 17 23.223 3.812 -6.999
136 H ILE 18 H ILE 18 25.391 1.003 -3.229
137 HA ILE 18 HA ILE 18 28.113 1.885 -4.113
138 HB ILE 18 HB ILE 18 28.133 2.853 -1.808
139 HG12 ILE 18 HG13 ILE 18 25.299 1.819 -1.486
140 HG13 ILE 18 HG12 ILE 18 26.692 0.867 -0.918
141 HG21 ILE 18 HG21 ILE 18 27.070 4.099 -3.670
142 HG22 ILE 18 HG22 ILE 18 26.237 4.409 -2.128
143 HG23 ILE 18 HG23 ILE 18 25.520 3.297 -3.319
144 HD11 ILE 18 HD11 ILE 18 25.791 2.296 0.898
145 HD12 ILE 18 HD12 ILE 18 26.051 3.740 -0.109
146 HD13 ILE 18 HD13 ILE 18 27.444 2.788 0.458
147 H LYS 19 H LYS 19 26.571 -0.759 -2.381
148 HA LYS 19 HA LYS 19 29.311 -1.727 -1.503
149 HB2 LYS 19 HB2 LYS 19 26.994 -1.290 -0.071
150 HB3 LYS 19 HB3 LYS 19 26.823 -3.013 -0.482
151 HG2 LYS 19 HG2 LYS 19 28.111 -3.293 1.398
152 HG3 LYS 19 HG3 LYS 19 29.443 -2.967 0.263
153 HD2 LYS 19 HD3 LYS 19 29.867 -0.908 1.160
154 HD3 LYS 19 HD2 LYS 19 28.139 -0.545 1.386
155 HE2 LYS 19 HE2 LYS 19 28.875 -0.762 3.619
156 HE3 LYS 19 HE3 LYS 19 28.318 -2.424 3.267
157 HZ1 LYS 19 HZ1 LYS 19 30.580 -2.406 4.134
158 HZ2 LYS 19 HZ2 LYS 19 30.559 -2.966 2.582
159 HZ3 LYS 19 HZ3 LYS 19 31.080 -1.433 2.899
160 HN1 NH2 20 H1 NH2 20 26.117 -3.167 -2.514
161 HN2 NH2 20 H2 NH2 20 26.836 -4.420 -3.501
Start of MODEL 5
1 H1 ACE 1 HH31 ACE 1 -1.478 -1.568 3.615
2 H2 ACE 1 HH32 ACE 1 -1.075 -0.891 2.018
3 H3 ACE 1 HH33 ACE 1 -1.574 -2.594 2.164
4 H ILE 2 H ILE 2 0.686 -2.437 0.858
5 HA ILE 2 HA ILE 2 2.741 -3.324 2.871
6 HB ILE 2 HB ILE 2 2.555 -3.515 -0.179
7 HG12 ILE 2 HG12 ILE 2 2.111 -5.687 1.912
8 HG13 ILE 2 HG13 ILE 2 0.783 -4.732 1.209
9 HG21 ILE 2 HG21 ILE 2 4.199 -5.545 0.640
10 HG22 ILE 2 HG22 ILE 2 4.788 -3.957 0.093
11 HG23 ILE 2 HG23 ILE 2 4.612 -4.290 1.833
12 HD11 ILE 2 HD11 ILE 2 1.092 -6.865 -0.019
13 HD12 ILE 2 HD12 ILE 2 2.782 -6.425 -0.359
14 HD13 ILE 2 HD13 ILE 2 1.455 -5.470 -1.062
15 H PHE 3 H PHE 3 1.961 -0.394 1.927
16 HA PHE 3 HA PHE 3 4.225 0.688 0.493
17 HB2 PHE 3 HB3 PHE 3 2.004 1.779 0.954
18 HB3 PHE 3 HB2 PHE 3 2.474 1.947 2.663
19 HD1 PHE 3 HD1 PHE 3 3.486 3.936 3.322
20 HD2 PHE 3 HD2 PHE 3 3.838 2.677 -0.770
21 HE1 PHE 3 HE1 PHE 3 4.701 6.032 2.782
22 HE2 PHE 3 HE2 PHE 3 5.054 4.771 -1.309
23 HZ PHE 3 HZ PHE 3 5.482 6.448 0.466
24 H GLY 4 H GLY 4 3.647 0.147 3.988
25 HA2 GLY 4 HA3 GLY 4 6.011 1.490 4.939
26 HA3 GLY 4 HA2 GLY 4 5.177 0.167 5.789
27 H ALA 5 H ALA 5 5.613 -1.487 3.188
28 HA ALA 5 HA ALA 5 8.280 -2.541 4.054
29 HB1 ALA 5 HB1 ALA 5 7.339 -4.500 3.362
30 HB2 ALA 5 HB2 ALA 5 5.829 -3.583 3.151
31 HB3 ALA 5 HB3 ALA 5 6.930 -3.816 1.771
32 H ILE 6 H ILE 6 6.986 -0.438 1.637
33 HA ILE 6 HA ILE 6 9.066 -1.070 -0.403
34 HB ILE 6 HB ILE 6 7.012 1.178 -0.099
35 HG12 ILE 6 HG12 ILE 6 5.986 -1.070 -0.192
36 HG13 ILE 6 HG13 ILE 6 5.677 -0.176 -1.699
37 HG21 ILE 6 HG21 ILE 6 8.415 2.033 -1.733
38 HG22 ILE 6 HG22 ILE 6 7.385 0.996 -2.749
39 HG23 ILE 6 HG23 ILE 6 8.990 0.424 -2.233
40 HD11 ILE 6 HD11 ILE 6 6.389 -2.197 -2.591
41 HD12 ILE 6 HD12 ILE 6 7.450 -2.555 -1.208
42 HD13 ILE 6 HD13 ILE 6 7.960 -1.376 -2.440
43 H TRP 7 H TRP 7 8.382 1.471 2.023
44 HA TRP 7 HA TRP 7 10.489 3.282 1.258
45 HB2 TRP 7 HB3 TRP 7 8.488 3.024 3.224
46 HB3 TRP 7 HB2 TRP 7 10.009 3.096 4.148
47 HD1 TRP 7 HD1 TRP 7 7.519 5.302 2.705
48 HE1 TRP 7 HE1 TRP 7 8.411 7.698 2.352
49 HE3 TRP 7 HE3 TRP 7 12.513 4.391 3.234
50 HZ2 TRP 7 HZ2 TRP 7 10.975 9.025 2.312
51 HZ3 TRP 7 HZ3 TRP 7 14.158 6.234 3.034
52 HH2 TRP 7 HH2 TRP 7 13.395 8.547 2.572
53 HA PRO 8 HA PRO 8 13.171 0.927 4.618
54 HB2 PRO 8 HB2 PRO 8 12.024 -1.817 4.292
55 HB3 PRO 8 HB3 PRO 8 12.544 -0.970 5.777
56 HG2 PRO 8 HG3 PRO 8 9.943 -1.365 5.138
57 HG3 PRO 8 HG2 PRO 8 10.516 0.043 6.071
58 HD2 PRO 8 HD2 PRO 8 9.587 -0.119 3.242
59 HD3 PRO 8 HD3 PRO 8 9.530 1.248 4.395
60 H LEU 9 H LEU 9 11.818 -0.506 1.675
61 HA LEU 9 HA LEU 9 14.321 -1.912 0.947
62 HB2 LEU 9 HB3 LEU 9 11.676 -2.139 0.317
63 HB3 LEU 9 HB2 LEU 9 12.236 -1.186 -1.079
64 HG LEU 9 HG LEU 9 14.224 -3.003 -1.014
65 HD11 LEU 9 HD11 LEU 9 13.307 -4.160 0.979
66 HD12 LEU 9 HD12 LEU 9 11.784 -4.456 0.105
67 HD13 LEU 9 HD13 LEU 9 13.291 -5.229 -0.445
68 HD21 LEU 9 HD21 LEU 9 12.950 -4.268 -2.725
69 HD22 LEU 9 HD22 LEU 9 12.724 -2.514 -2.927
70 HD23 LEU 9 HD23 LEU 9 11.444 -3.495 -2.175
71 H ALA 10 H ALA 10 12.924 1.290 0.464
72 HA ALA 10 HA ALA 10 14.416 2.086 -1.882
73 HB1 ALA 10 HB1 ALA 10 13.552 4.197 -1.344
74 HB2 ALA 10 HB2 ALA 10 12.462 3.154 -0.400
75 HB3 ALA 10 HB3 ALA 10 13.824 3.974 0.401
76 H LEU 11 H LEU 11 15.258 1.978 1.574
77 HA LEU 11 HA LEU 11 17.776 3.472 1.245
78 HB2 LEU 11 HB2 LEU 11 16.574 1.638 3.369
79 HB3 LEU 11 HB3 LEU 11 18.118 2.493 3.590
80 HG LEU 11 HG LEU 11 16.082 4.327 2.604
81 HD11 LEU 11 HD11 LEU 11 14.507 2.764 3.710
82 HD12 LEU 11 HD12 LEU 11 15.468 2.856 5.206
83 HD13 LEU 11 HD13 LEU 11 14.619 4.300 4.604
84 HD21 LEU 11 HD21 LEU 11 18.186 4.949 3.765
85 HD22 LEU 11 HD22 LEU 11 16.765 5.575 4.635
86 HD23 LEU 11 HD23 LEU 11 17.613 4.131 5.238
87 H GLY 12 H GLY 12 16.769 0.094 0.984
88 HA2 GLY 12 HA2 GLY 12 19.535 -0.943 1.107
89 HA3 GLY 12 HA3 GLY 12 18.082 -1.869 0.661
90 H ALA 13 H ALA 13 17.256 0.114 -1.384
91 HA ALA 13 HA ALA 13 18.571 -1.032 -3.684
92 HB1 ALA 13 HB1 ALA 13 17.353 0.802 -4.866
93 HB2 ALA 13 HB2 ALA 13 17.071 1.607 -3.305
94 HB3 ALA 13 HB3 ALA 13 16.323 0.027 -3.639
95 H LEU 14 H LEU 14 19.360 1.741 -1.645
96 HA LEU 14 HA LEU 14 21.286 2.891 -3.584
97 HB2 LEU 14 HB2 LEU 14 20.014 4.239 -1.942
98 HB3 LEU 14 HB3 LEU 14 20.740 3.318 -0.603
99 HG LEU 14 HG LEU 14 23.021 4.076 -1.502
100 HD11 LEU 14 HD11 LEU 14 22.230 4.736 -3.758
101 HD12 LEU 14 HD12 LEU 14 21.218 6.007 -3.031
102 HD13 LEU 14 HD13 LEU 14 22.992 6.109 -2.921
103 HD21 LEU 14 HD21 LEU 14 22.826 6.306 -0.436
104 HD22 LEU 14 HD22 LEU 14 21.948 5.072 0.498
105 HD23 LEU 14 HD23 LEU 14 21.052 6.203 -0.545
106 H LYS 15 H LYS 15 21.522 1.183 -0.418
107 HA LYS 15 HA LYS 15 24.385 1.026 -0.310
108 HB2 LYS 15 HB3 LYS 15 22.221 0.292 1.220
109 HB3 LYS 15 HB2 LYS 15 22.792 -1.300 0.668
110 HG2 LYS 15 HG2 LYS 15 24.365 -1.199 2.291
111 HG3 LYS 15 HG3 LYS 15 25.134 0.112 1.365
112 HD2 LYS 15 HD2 LYS 15 22.855 0.581 3.332
113 HD3 LYS 15 HD3 LYS 15 24.572 0.676 3.794
114 HE2 LYS 15 HE3 LYS 15 23.895 2.198 1.334
115 HE3 LYS 15 HE2 LYS 15 23.116 2.813 2.821
116 HZ1 LYS 15 HZ1 LYS 15 25.365 3.684 2.562
117 HZ2 LYS 15 HZ2 LYS 15 25.989 2.158 2.520
118 HZ3 LYS 15 HZ3 LYS 15 25.278 2.721 3.898
119 H ASN 16 H ASN 16 22.038 -0.824 -2.190
120 HA ASN 16 HA ASN 16 23.812 -3.085 -2.781
121 HB2 ASN 16 HB2 ASN 16 21.290 -1.867 -3.974
122 HB3 ASN 16 HB3 ASN 16 22.050 -3.314 -4.678
123 HD21 ASN 16 HD21 ASN 16 19.697 -4.082 -3.886
124 HD22 ASN 16 HD22 ASN 16 19.667 -4.775 -2.281
125 H LEU 17 H LEU 17 23.115 0.048 -4.363
126 HA LEU 17 HA LEU 17 24.655 -0.564 -6.786
127 HB2 LEU 17 HB3 LEU 17 23.315 1.768 -5.445
128 HB3 LEU 17 HB2 LEU 17 24.534 2.143 -6.686
129 HG LEU 17 HG LEU 17 22.227 1.947 -7.639
130 HD11 LEU 17 HD11 LEU 17 24.214 1.417 -9.025
131 HD12 LEU 17 HD12 LEU 17 24.150 -0.273 -8.469
132 HD13 LEU 17 HD13 LEU 17 22.831 0.386 -9.466
133 HD21 LEU 17 HD21 LEU 17 21.036 -0.133 -7.607
134 HD22 LEU 17 HD22 LEU 17 21.563 0.145 -5.930
135 HD23 LEU 17 HD23 LEU 17 22.442 -1.011 -6.959
136 H ILE 18 H ILE 18 25.361 1.021 -3.669
137 HA ILE 18 HA ILE 18 28.108 1.759 -4.555
138 HB ILE 18 HB ILE 18 28.214 2.623 -2.208
139 HG12 ILE 18 HG12 ILE 18 25.342 1.965 -1.736
140 HG13 ILE 18 HG13 ILE 18 26.483 0.606 -1.595
141 HG21 ILE 18 HG21 ILE 18 27.182 3.991 -4.001
142 HG22 ILE 18 HG22 ILE 18 26.380 4.271 -2.437
143 HG23 ILE 18 HG23 ILE 18 25.604 3.240 -3.663
144 HD11 ILE 18 HD11 ILE 18 26.192 1.755 0.583
145 HD12 ILE 18 HD12 ILE 18 26.719 3.286 -0.155
146 HD13 ILE 18 HD13 ILE 18 27.860 1.928 -0.013
147 H LYS 19 H LYS 19 26.583 -1.056 -3.314
148 HA LYS 19 HA LYS 19 28.597 -2.090 -1.529
149 HB2 LYS 19 HB3 LYS 19 26.152 -2.852 -2.505
150 HB3 LYS 19 HB2 LYS 19 27.214 -3.954 -3.415
151 HG2 LYS 19 HG2 LYS 19 26.581 -5.036 -1.320
152 HG3 LYS 19 HG3 LYS 19 28.306 -4.602 -1.236
153 HD2 LYS 19 HD2 LYS 19 27.959 -2.980 0.362
154 HD3 LYS 19 HD3 LYS 19 26.358 -2.540 -0.281
155 HE2 LYS 19 HE2 LYS 19 25.291 -4.374 0.819
156 HE3 LYS 19 HE3 LYS 19 26.847 -5.210 1.099
157 HZ1 LYS 19 HZ1 LYS 19 26.110 -4.013 3.073
158 HZ2 LYS 19 HZ2 LYS 19 26.085 -2.589 2.240
159 HZ3 LYS 19 HZ3 LYS 19 27.515 -3.369 2.497
160 HN1 NH2 20 H1 NH2 20 30.480 -3.414 -1.951
161 HN2 NH2 20 H2 NH2 20 31.189 -3.541 -3.545
Start of MODEL 6
1 H1 ACE 1 HH31 ACE 1 -1.916 -1.395 3.642
2 H2 ACE 1 HH32 ACE 1 -1.227 -0.314 2.407
3 H3 ACE 1 HH33 ACE 1 -1.723 -1.966 1.967
4 H ILE 2 H ILE 2 0.742 -1.544 1.203
5 HA ILE 2 HA ILE 2 2.472 -2.708 3.413
6 HB ILE 2 HB ILE 2 3.616 -3.879 1.498
7 HG12 ILE 2 HG13 ILE 2 1.325 -3.216 -0.310
8 HG13 ILE 2 HG12 ILE 2 2.554 -1.949 -0.082
9 HG21 ILE 2 HG21 ILE 2 1.781 -4.983 2.747
10 HG22 ILE 2 HG22 ILE 2 1.767 -5.460 1.032
11 HG23 ILE 2 HG23 ILE 2 0.592 -4.265 1.633
12 HD11 ILE 2 HD11 ILE 2 3.131 -3.413 -1.999
13 HD12 ILE 2 HD12 ILE 2 4.333 -3.564 -0.695
14 HD13 ILE 2 HD13 ILE 2 3.104 -4.831 -0.923
15 H PHE 3 H PHE 3 2.058 0.179 2.636
16 HA PHE 3 HA PHE 3 4.272 1.144 1.056
17 HB2 PHE 3 HB2 PHE 3 2.223 2.396 1.818
18 HB3 PHE 3 HB3 PHE 3 2.883 2.404 3.471
19 HD1 PHE 3 HD1 PHE 3 4.301 3.017 0.034
20 HD2 PHE 3 HD2 PHE 3 3.796 4.463 4.046
21 HE1 PHE 3 HE1 PHE 3 5.653 5.021 -0.519
22 HE2 PHE 3 HE2 PHE 3 5.147 6.468 3.494
23 HZ PHE 3 HZ PHE 3 6.074 6.748 1.211
24 H GLY 4 H GLY 4 3.980 0.386 4.542
25 HA2 GLY 4 HA2 GLY 4 6.561 1.428 5.316
26 HA3 GLY 4 HA3 GLY 4 5.664 0.160 6.186
27 H ALA 5 H ALA 5 5.673 -1.345 3.436
28 HA ALA 5 HA ALA 5 8.259 -2.755 4.003
29 HB1 ALA 5 HB1 ALA 5 7.233 -4.446 2.476
30 HB2 ALA 5 HB2 ALA 5 6.111 -3.977 3.775
31 HB3 ALA 5 HB3 ALA 5 5.902 -3.314 2.136
32 H ILE 6 H ILE 6 6.963 -0.418 1.786
33 HA ILE 6 HA ILE 6 8.824 -1.134 -0.431
34 HB ILE 6 HB ILE 6 6.975 1.243 0.105
35 HG12 ILE 6 HG13 ILE 6 5.796 -0.935 0.000
36 HG13 ILE 6 HG12 ILE 6 5.429 0.059 -1.429
37 HG21 ILE 6 HG21 ILE 6 8.321 2.068 -1.594
38 HG22 ILE 6 HG22 ILE 6 7.145 1.156 -2.569
39 HG23 ILE 6 HG23 ILE 6 8.735 0.446 -2.198
40 HD11 ILE 6 HD11 ILE 6 6.144 -2.520 -1.657
41 HD12 ILE 6 HD12 ILE 6 6.640 -1.306 -2.861
42 HD13 ILE 6 HD13 ILE 6 7.776 -1.814 -1.588
43 H TRP 7 H TRP 7 8.603 1.238 2.219
44 HA TRP 7 HA TRP 7 10.748 2.963 1.311
45 HB2 TRP 7 HB2 TRP 7 8.965 2.633 3.538
46 HB3 TRP 7 HB3 TRP 7 10.614 2.792 4.191
47 HD1 TRP 7 HD1 TRP 7 7.856 4.907 3.403
48 HE1 TRP 7 HE1 TRP 7 8.557 7.313 2.782
49 HE3 TRP 7 HE3 TRP 7 12.816 4.101 2.502
50 HZ2 TRP 7 HZ2 TRP 7 10.969 8.687 1.994
51 HZ3 TRP 7 HZ3 TRP 7 14.291 5.968 1.815
52 HH2 TRP 7 HH2 TRP 7 13.375 8.260 1.560
53 HA PRO 8 HA PRO 8 13.518 0.230 4.297
54 HB2 PRO 8 HB3 PRO 8 12.095 -2.379 3.954
55 HB3 PRO 8 HB2 PRO 8 12.841 -1.680 5.420
56 HG2 PRO 8 HG2 PRO 8 10.163 -1.799 5.043
57 HG3 PRO 8 HG3 PRO 8 10.957 -0.496 5.967
58 HD2 PRO 8 HD3 PRO 8 9.744 -0.434 3.249
59 HD3 PRO 8 HD2 PRO 8 9.916 0.876 4.454
60 H LEU 9 H LEU 9 11.771 -0.923 1.440
61 HA LEU 9 HA LEU 9 14.067 -2.484 0.403
62 HB2 LEU 9 HB2 LEU 9 11.399 -2.564 0.044
63 HB3 LEU 9 HB3 LEU 9 11.795 -1.465 -1.298
64 HG LEU 9 HG LEU 9 13.501 -3.909 -0.991
65 HD11 LEU 9 HD11 LEU 9 11.213 -4.789 -0.621
66 HD12 LEU 9 HD12 LEU 9 11.841 -5.290 -2.209
67 HD13 LEU 9 HD13 LEU 9 10.657 -3.965 -2.098
68 HD21 LEU 9 HD21 LEU 9 13.396 -3.794 -3.467
69 HD22 LEU 9 HD22 LEU 9 12.212 -2.470 -3.354
70 HD23 LEU 9 HD23 LEU 9 13.877 -2.226 -2.774
71 H ALA 10 H ALA 10 12.835 0.819 0.159
72 HA ALA 10 HA ALA 10 14.370 1.542 -2.240
73 HB1 ALA 10 HB1 ALA 10 13.704 3.839 -1.508
74 HB2 ALA 10 HB2 ALA 10 13.188 3.177 0.061
75 HB3 ALA 10 HB3 ALA 10 12.330 2.710 -1.427
76 H LEU 11 H LEU 11 15.021 1.429 1.235
77 HA LEU 11 HA LEU 11 17.466 3.086 1.061
78 HB2 LEU 11 HB3 LEU 11 16.015 1.366 3.085
79 HB3 LEU 11 HB2 LEU 11 17.681 1.891 3.430
80 HG LEU 11 HG LEU 11 15.590 3.880 2.502
81 HD11 LEU 11 HD11 LEU 11 14.647 2.706 4.472
82 HD12 LEU 11 HD12 LEU 11 15.119 4.371 4.885
83 HD13 LEU 11 HD13 LEU 11 16.154 3.007 5.371
84 HD21 LEU 11 HD21 LEU 11 17.066 5.438 3.742
85 HD22 LEU 11 HD22 LEU 11 18.100 4.073 4.227
86 HD23 LEU 11 HD23 LEU 11 17.980 4.534 2.512
87 H GLY 12 H GLY 12 16.637 -0.338 0.775
88 HA2 GLY 12 HA2 GLY 12 19.438 -1.237 1.079
89 HA3 GLY 12 HA3 GLY 12 18.061 -2.239 0.561
90 H ALA 13 H ALA 13 17.215 -0.450 -1.583
91 HA ALA 13 HA ALA 13 18.782 -1.505 -3.757
92 HB1 ALA 13 HB1 ALA 13 17.473 0.170 -5.069
93 HB2 ALA 13 HB2 ALA 13 16.446 -0.671 -3.884
94 HB3 ALA 13 HB3 ALA 13 17.014 0.983 -3.554
95 H LEU 14 H LEU 14 19.163 1.395 -1.774
96 HA LEU 14 HA LEU 14 21.108 2.653 -3.632
97 HB2 LEU 14 HB2 LEU 14 19.604 3.957 -2.173
98 HB3 LEU 14 HB3 LEU 14 20.271 3.154 -0.732
99 HG LEU 14 HG LEU 14 22.535 4.081 -1.341
100 HD11 LEU 14 HD11 LEU 14 22.097 4.395 -3.761
101 HD12 LEU 14 HD12 LEU 14 20.890 5.646 -3.381
102 HD13 LEU 14 HD13 LEU 14 22.608 5.921 -3.002
103 HD21 LEU 14 HD21 LEU 14 22.007 6.398 -0.625
104 HD22 LEU 14 HD22 LEU 14 21.068 5.210 0.311
105 HD23 LEU 14 HD23 LEU 14 20.290 6.123 -1.004
106 H LYS 15 H LYS 15 21.244 1.049 -0.408
107 HA LYS 15 HA LYS 15 24.088 1.209 -0.042
108 HB2 LYS 15 HB2 LYS 15 21.761 -0.034 1.113
109 HB3 LYS 15 HB3 LYS 15 23.023 -1.280 0.970
110 HG2 LYS 15 HG3 LYS 15 24.059 -0.405 2.778
111 HG3 LYS 15 HG2 LYS 15 24.298 1.116 1.884
112 HD2 LYS 15 HD2 LYS 15 21.696 0.427 3.306
113 HD3 LYS 15 HD3 LYS 15 23.019 1.320 4.093
114 HE2 LYS 15 HE3 LYS 15 22.896 3.078 2.368
115 HE3 LYS 15 HE2 LYS 15 21.620 2.170 1.505
116 HZ1 LYS 15 HZ1 LYS 15 20.682 3.798 3.038
117 HZ2 LYS 15 HZ2 LYS 15 21.476 3.111 4.310
118 HZ3 LYS 15 HZ3 LYS 15 20.296 2.270 3.523
119 H ASN 16 H ASN 16 22.118 -0.938 -2.050
120 HA ASN 16 HA ASN 16 24.168 -2.984 -2.459
121 HB2 ASN 16 HB2 ASN 16 21.731 -2.054 -4.051
122 HB3 ASN 16 HB3 ASN 16 22.633 -3.549 -4.393
123 HD21 ASN 16 HD21 ASN 16 19.802 -3.377 -3.512
124 HD22 ASN 16 HD22 ASN 16 19.724 -4.211 -1.976
125 H LEU 17 H LEU 17 23.325 0.068 -4.119
126 HA LEU 17 HA LEU 17 25.141 -0.410 -6.387
127 HB2 LEU 17 HB3 LEU 17 23.440 1.784 -5.229
128 HB3 LEU 17 HB2 LEU 17 24.720 2.266 -6.367
129 HG LEU 17 HG LEU 17 22.556 1.819 -7.527
130 HD11 LEU 17 HD11 LEU 17 24.704 1.431 -8.707
131 HD12 LEU 17 HD12 LEU 17 23.464 0.270 -9.236
132 HD13 LEU 17 HD13 LEU 17 24.735 -0.242 -8.100
133 HD21 LEU 17 HD21 LEU 17 21.540 -0.346 -7.516
134 HD22 LEU 17 HD22 LEU 17 22.956 -1.090 -6.735
135 HD23 LEU 17 HD23 LEU 17 21.905 0.009 -5.811
136 H ILE 18 H ILE 18 25.353 1.283 -3.254
137 HA ILE 18 HA ILE 18 28.120 2.228 -3.886
138 HB ILE 18 HB ILE 18 27.853 3.288 -1.633
139 HG12 ILE 18 HG12 ILE 18 24.999 2.504 -1.417
140 HG13 ILE 18 HG13 ILE 18 26.149 1.179 -1.113
141 HG21 ILE 18 HG21 ILE 18 26.969 4.415 -3.658
142 HG22 ILE 18 HG22 ILE 18 25.418 3.566 -3.450
143 HG23 ILE 18 HG23 ILE 18 25.951 4.754 -2.237
144 HD11 ILE 18 HD11 ILE 18 25.628 2.403 0.981
145 HD12 ILE 18 HD12 ILE 18 27.341 2.593 0.539
146 HD13 ILE 18 HD13 ILE 18 26.191 3.918 0.236
147 H LYS 19 H LYS 19 26.549 -0.476 -2.338
148 HA LYS 19 HA LYS 19 29.259 -1.508 -1.527
149 HB2 LYS 19 HB3 LYS 19 27.785 -0.205 0.298
150 HB3 LYS 19 HB2 LYS 19 26.944 -1.771 0.390
151 HG2 LYS 19 HG2 LYS 19 29.930 -1.873 0.393
152 HG3 LYS 19 HG3 LYS 19 29.165 -1.193 1.849
153 HD2 LYS 19 HD3 LYS 19 27.571 -3.327 1.565
154 HD3 LYS 19 HD2 LYS 19 28.995 -3.974 0.715
155 HE2 LYS 19 HE3 LYS 19 30.201 -4.166 2.653
156 HE3 LYS 19 HE2 LYS 19 29.617 -2.597 3.282
157 HZ1 LYS 19 HZ1 LYS 19 28.675 -4.462 4.513
158 HZ2 LYS 19 HZ2 LYS 19 27.486 -3.651 3.709
159 HZ3 LYS 19 HZ3 LYS 19 28.033 -5.095 3.132
160 HN1 NH2 20 H1 NH2 20 27.653 -2.374 -3.754
161 HN2 NH2 20 H2 NH2 20 27.025 -3.966 -3.390
Start of MODEL 7
1 H1 ACE 1 HH31 ACE 1 -1.096 0.007 0.140
2 H2 ACE 1 HH32 ACE 1 -1.670 -1.247 1.266
3 H3 ACE 1 HH33 ACE 1 -1.068 0.306 1.894
4 H ILE 2 H ILE 2 0.165 -1.670 3.077
5 HA ILE 2 HA ILE 2 2.331 -2.570 3.477
6 HB ILE 2 HB ILE 2 2.125 -2.995 0.454
7 HG12 ILE 2 HG13 ILE 2 1.276 -4.830 2.738
8 HG13 ILE 2 HG12 ILE 2 0.150 -3.804 1.818
9 HG21 ILE 2 HG21 ILE 2 3.404 -5.181 1.564
10 HG22 ILE 2 HG22 ILE 2 4.228 -3.810 0.782
11 HG23 ILE 2 HG23 ILE 2 4.037 -3.842 2.552
12 HD11 ILE 2 HD11 ILE 2 0.206 -6.107 0.899
13 HD12 ILE 2 HD12 ILE 2 1.961 -5.961 0.639
14 HD13 ILE 2 HD13 ILE 2 0.836 -4.934 -0.281
15 H PHE 3 H PHE 3 2.023 0.353 2.571
16 HA PHE 3 HA PHE 3 4.309 1.044 0.914
17 HB2 PHE 3 HB3 PHE 3 2.338 2.489 1.422
18 HB3 PHE 3 HB2 PHE 3 2.851 2.578 3.124
19 HD1 PHE 3 HD1 PHE 3 4.447 2.977 -0.268
20 HD2 PHE 3 HD2 PHE 3 3.976 4.517 3.713
21 HE1 PHE 3 HE1 PHE 3 5.960 4.863 -0.821
22 HE2 PHE 3 HE2 PHE 3 5.489 6.406 3.162
23 HZ PHE 3 HZ PHE 3 6.478 6.580 0.894
24 H GLY 4 H GLY 4 3.876 0.661 4.446
25 HA2 GLY 4 HA2 GLY 4 6.458 1.674 5.222
26 HA3 GLY 4 HA3 GLY 4 5.492 0.510 6.160
27 H ALA 5 H ALA 5 5.545 -1.254 3.588
28 HA ALA 5 HA ALA 5 8.063 -2.675 4.368
29 HB1 ALA 5 HB1 ALA 5 6.865 -4.501 3.674
30 HB2 ALA 5 HB2 ALA 5 5.473 -3.392 3.656
31 HB3 ALA 5 HB3 ALA 5 6.378 -3.708 2.156
32 H ILE 6 H ILE 6 6.832 -0.623 1.799
33 HA ILE 6 HA ILE 6 8.884 -1.499 -0.169
34 HB ILE 6 HB ILE 6 6.926 0.850 -0.055
35 HG12 ILE 6 HG13 ILE 6 6.673 -1.742 -1.625
36 HG13 ILE 6 HG12 ILE 6 6.015 -1.562 0.019
37 HG21 ILE 6 HG21 ILE 6 8.794 1.214 -1.646
38 HG22 ILE 6 HG22 ILE 6 8.470 -0.370 -2.388
39 HG23 ILE 6 HG23 ILE 6 7.264 0.933 -2.510
40 HD11 ILE 6 HD11 ILE 6 4.291 -1.056 -1.690
41 HD12 ILE 6 HD12 ILE 6 5.340 0.210 -2.372
42 HD13 ILE 6 HD13 ILE 6 4.682 0.389 -0.728
43 H TRP 7 H TRP 7 8.473 1.036 2.273
44 HA TRP 7 HA TRP 7 10.525 2.840 1.296
45 HB2 TRP 7 HB2 TRP 7 8.729 2.524 3.512
46 HB3 TRP 7 HB3 TRP 7 10.355 2.804 4.181
47 HD1 TRP 7 HD1 TRP 7 7.479 4.686 3.107
48 HE1 TRP 7 HE1 TRP 7 8.062 7.107 2.437
49 HE3 TRP 7 HE3 TRP 7 12.543 4.207 2.662
50 HZ2 TRP 7 HZ2 TRP 7 10.431 8.620 1.788
51 HZ3 TRP 7 HZ3 TRP 7 13.939 6.150 2.017
52 HH2 TRP 7 HH2 TRP 7 12.891 8.354 1.578
53 HA PRO 8 HA PRO 8 13.391 0.452 4.502
54 HB2 PRO 8 HB3 PRO 8 12.136 -2.253 4.230
55 HB3 PRO 8 HB2 PRO 8 12.811 -1.459 5.681
56 HG2 PRO 8 HG2 PRO 8 10.150 -1.744 5.248
57 HG3 PRO 8 HG3 PRO 8 10.850 -0.376 6.152
58 HD2 PRO 8 HD2 PRO 8 9.661 -0.438 3.429
59 HD3 PRO 8 HD3 PRO 8 9.806 0.914 4.592
60 H LEU 9 H LEU 9 11.794 -1.038 1.698
61 HA LEU 9 HA LEU 9 14.242 -2.418 0.772
62 HB2 LEU 9 HB2 LEU 9 11.393 -2.046 0.034
63 HB3 LEU 9 HB3 LEU 9 12.476 -2.187 -1.371
64 HG LEU 9 HG LEU 9 11.642 -4.410 -0.640
65 HD11 LEU 9 HD11 LEU 9 13.681 -5.468 -0.944
66 HD12 LEU 9 HD12 LEU 9 14.522 -4.411 0.215
67 HD13 LEU 9 HD13 LEU 9 14.141 -3.815 -1.419
68 HD21 LEU 9 HD21 LEU 9 11.853 -5.219 1.524
69 HD22 LEU 9 HD22 LEU 9 11.676 -3.482 1.873
70 HD23 LEU 9 HD23 LEU 9 13.292 -4.229 1.867
71 H ALA 10 H ALA 10 12.721 0.742 0.322
72 HA ALA 10 HA ALA 10 14.104 1.509 -2.114
73 HB1 ALA 10 HB1 ALA 10 13.046 3.533 -1.689
74 HB2 ALA 10 HB2 ALA 10 12.126 2.515 -0.556
75 HB3 ALA 10 HB3 ALA 10 13.476 3.511 0.038
76 H LEU 11 H LEU 11 14.897 1.924 1.359
77 HA LEU 11 HA LEU 11 17.360 3.412 0.898
78 HB2 LEU 11 HB2 LEU 11 16.273 1.671 3.160
79 HB3 LEU 11 HB3 LEU 11 17.767 2.627 3.304
80 HG LEU 11 HG LEU 11 15.348 4.057 2.270
81 HD11 LEU 11 HD11 LEU 11 14.412 2.697 4.119
82 HD12 LEU 11 HD12 LEU 11 15.704 3.276 5.198
83 HD13 LEU 11 HD13 LEU 11 14.492 4.418 4.567
84 HD21 LEU 11 HD21 LEU 11 16.321 5.861 3.667
85 HD22 LEU 11 HD22 LEU 11 17.543 5.169 2.574
86 HD23 LEU 11 HD23 LEU 11 17.533 4.719 4.296
87 H GLY 12 H GLY 12 16.534 -0.018 0.846
88 HA2 GLY 12 HA2 GLY 12 19.288 -0.977 1.134
89 HA3 GLY 12 HA3 GLY 12 17.907 -1.925 0.531
90 H ALA 13 H ALA 13 17.211 -0.023 -1.586
91 HA ALA 13 HA ALA 13 18.788 -1.074 -3.743
92 HB1 ALA 13 HB1 ALA 13 17.645 0.741 -5.024
93 HB2 ALA 13 HB2 ALA 13 16.521 -0.073 -3.911
94 HB3 ALA 13 HB3 ALA 13 17.190 1.522 -3.491
95 H LEU 14 H LEU 14 19.286 1.727 -1.642
96 HA LEU 14 HA LEU 14 21.354 2.951 -3.371
97 HB2 LEU 14 HB2 LEU 14 19.936 4.247 -1.819
98 HB3 LEU 14 HB3 LEU 14 20.531 3.289 -0.442
99 HG LEU 14 HG LEU 14 22.854 4.095 -0.945
100 HD11 LEU 14 HD11 LEU 14 22.505 4.568 -3.355
101 HD12 LEU 14 HD12 LEU 14 23.113 6.007 -2.502
102 HD13 LEU 14 HD13 LEU 14 21.390 5.890 -2.933
103 HD21 LEU 14 HD21 LEU 14 21.435 5.247 0.733
104 HD22 LEU 14 HD22 LEU 14 22.489 6.403 -0.117
105 HD23 LEU 14 HD23 LEU 14 20.766 6.286 -0.549
106 H LYS 15 H LYS 15 21.328 1.065 -0.308
107 HA LYS 15 HA LYS 15 24.189 1.036 0.077
108 HB2 LYS 15 HB3 LYS 15 22.127 -1.109 0.785
109 HB3 LYS 15 HB2 LYS 15 23.674 -0.810 1.607
110 HG2 LYS 15 HG2 LYS 15 21.726 1.474 1.401
111 HG3 LYS 15 HG3 LYS 15 21.372 0.175 2.565
112 HD2 LYS 15 HD2 LYS 15 22.674 1.781 3.772
113 HD3 LYS 15 HD3 LYS 15 23.796 0.454 3.381
114 HE2 LYS 15 HE3 LYS 15 24.910 1.704 1.739
115 HE3 LYS 15 HE2 LYS 15 23.507 2.775 1.454
116 HZ1 LYS 15 HZ1 LYS 15 25.201 3.857 2.811
117 HZ2 LYS 15 HZ2 LYS 15 25.115 2.657 3.939
118 HZ3 LYS 15 HZ3 LYS 15 23.819 3.645 3.686
119 H ASN 16 H ASN 16 22.033 -0.915 -1.954
120 HA ASN 16 HA ASN 16 24.062 -2.968 -2.562
121 HB2 ASN 16 HB2 ASN 16 21.386 -2.069 -3.706
122 HB3 ASN 16 HB3 ASN 16 22.310 -3.410 -4.424
123 HD21 ASN 16 HD21 ASN 16 19.784 -2.894 -2.363
124 HD22 ASN 16 HD22 ASN 16 19.995 -4.257 -1.286
125 H LEU 17 H LEU 17 23.058 0.147 -3.925
126 HA LEU 17 HA LEU 17 24.460 -0.176 -6.478
127 HB2 LEU 17 HB3 LEU 17 22.567 1.401 -5.962
128 HB3 LEU 17 HB2 LEU 17 23.662 2.321 -4.902
129 HG LEU 17 HG LEU 17 24.773 1.809 -7.595
130 HD11 LEU 17 HD11 LEU 17 22.381 2.073 -8.199
131 HD12 LEU 17 HD12 LEU 17 23.332 3.484 -8.721
132 HD13 LEU 17 HD13 LEU 17 22.313 3.586 -7.265
133 HD21 LEU 17 HD21 LEU 17 25.772 3.338 -5.914
134 HD22 LEU 17 HD22 LEU 17 25.309 4.222 -7.388
135 HD23 LEU 17 HD23 LEU 17 24.290 4.324 -5.933
136 H ILE 18 H ILE 18 25.364 0.953 -3.238
137 HA ILE 18 HA ILE 18 27.954 2.062 -4.195
138 HB ILE 18 HB ILE 18 28.254 2.454 -1.744
139 HG12 ILE 18 HG12 ILE 18 25.497 1.300 -1.293
140 HG13 ILE 18 HG13 ILE 18 26.916 0.227 -1.257
141 HG21 ILE 18 HG21 ILE 18 26.937 4.052 -3.108
142 HG22 ILE 18 HG22 ILE 18 25.461 3.112 -2.781
143 HG23 ILE 18 HG23 ILE 18 26.300 3.944 -1.450
144 HD11 ILE 18 HD11 ILE 18 27.953 1.978 0.357
145 HD12 ILE 18 HD12 ILE 18 26.664 0.932 0.997
146 HD13 ILE 18 HD13 ILE 18 26.296 2.607 0.521
147 H LYS 19 H LYS 19 26.704 -1.000 -3.040
148 HA LYS 19 HA LYS 19 29.517 -2.003 -2.566
149 HB2 LYS 19 HB2 LYS 19 27.722 -2.282 -0.829
150 HB3 LYS 19 HB3 LYS 19 26.772 -3.228 -2.000
151 HG2 LYS 19 HG2 LYS 19 29.596 -4.105 -1.638
152 HG3 LYS 19 HG3 LYS 19 28.539 -4.335 -0.225
153 HD2 LYS 19 HD2 LYS 19 26.882 -5.499 -1.691
154 HD3 LYS 19 HD3 LYS 19 28.003 -5.325 -3.062
155 HE2 LYS 19 HE3 LYS 19 29.369 -7.010 -2.309
156 HE3 LYS 19 HE2 LYS 19 29.196 -6.521 -0.598
157 HZ1 LYS 19 HZ1 LYS 19 28.017 -8.589 -1.063
158 HZ2 LYS 19 HZ2 LYS 19 26.947 -7.401 -0.656
159 HZ3 LYS 19 HZ3 LYS 19 27.117 -7.854 -2.233
160 HN1 NH2 20 H1 NH2 20 30.388 -3.617 -3.948
161 HN2 NH2 20 H2 NH2 20 29.529 -4.280 -5.321
Start of MODEL 8
1 H1 ACE 1 HH31 ACE 1 -1.507 -1.176 5.164
2 H2 ACE 1 HH32 ACE 1 -1.049 -0.066 3.850
3 H3 ACE 1 HH33 ACE 1 -1.794 -1.636 3.469
4 H ILE 2 H ILE 2 0.430 -1.356 2.123
5 HA ILE 2 HA ILE 2 2.532 -2.824 3.753
6 HB ILE 2 HB ILE 2 1.797 -2.997 0.789
7 HG12 ILE 2 HG12 ILE 2 1.380 -5.476 2.037
8 HG13 ILE 2 HG13 ILE 2 0.744 -4.293 3.206
9 HG21 ILE 2 HG21 ILE 2 3.227 -5.251 1.385
10 HG22 ILE 2 HG22 ILE 2 3.952 -3.772 0.709
11 HG23 ILE 2 HG23 ILE 2 4.015 -4.074 2.463
12 HD11 ILE 2 HD11 ILE 2 -1.010 -4.987 1.596
13 HD12 ILE 2 HD12 ILE 2 -0.623 -3.259 1.414
14 HD13 ILE 2 HD13 ILE 2 0.013 -4.442 0.246
15 H PHE 3 H PHE 3 1.993 0.187 2.796
16 HA PHE 3 HA PHE 3 4.171 0.868 1.011
17 HB2 PHE 3 HB2 PHE 3 2.157 2.254 1.700
18 HB3 PHE 3 HB3 PHE 3 2.936 2.499 3.281
19 HD1 PHE 3 HD1 PHE 3 4.360 4.328 3.559
20 HD2 PHE 3 HD2 PHE 3 3.670 2.801 -0.397
21 HE1 PHE 3 HE1 PHE 3 5.703 6.185 2.608
22 HE2 PHE 3 HE2 PHE 3 5.014 4.657 -1.347
23 HZ PHE 3 HZ PHE 3 6.029 6.350 0.155
24 H GLY 4 H GLY 4 3.979 0.388 4.531
25 HA2 GLY 4 HA3 GLY 4 6.559 1.526 5.178
26 HA3 GLY 4 HA2 GLY 4 5.699 0.308 6.150
27 H ALA 5 H ALA 5 5.677 -1.349 3.470
28 HA ALA 5 HA ALA 5 8.248 -2.745 4.100
29 HB1 ALA 5 HB1 ALA 5 7.233 -4.466 2.598
30 HB2 ALA 5 HB2 ALA 5 5.921 -3.329 2.203
31 HB3 ALA 5 HB3 ALA 5 6.090 -3.951 3.862
32 H ILE 6 H ILE 6 6.895 -0.594 1.682
33 HA ILE 6 HA ILE 6 8.897 -1.314 -0.395
34 HB ILE 6 HB ILE 6 6.917 0.997 -0.079
35 HG12 ILE 6 HG13 ILE 6 6.650 -1.528 -1.759
36 HG13 ILE 6 HG12 ILE 6 6.008 -1.403 -0.103
37 HG21 ILE 6 HG21 ILE 6 8.723 1.476 -1.711
38 HG22 ILE 6 HG22 ILE 6 8.390 -0.068 -2.531
39 HG23 ILE 6 HG23 ILE 6 7.166 1.224 -2.535
40 HD11 ILE 6 HD11 ILE 6 4.266 -0.852 -1.778
41 HD12 ILE 6 HD12 ILE 6 4.660 0.564 -0.775
42 HD13 ILE 6 HD13 ILE 6 5.302 0.439 -2.431
43 H TRP 7 H TRP 7 8.506 1.107 2.175
44 HA TRP 7 HA TRP 7 10.519 2.973 1.249
45 HB2 TRP 7 HB3 TRP 7 8.775 2.544 3.471
46 HB3 TRP 7 HB2 TRP 7 10.411 2.746 4.142
47 HD1 TRP 7 HD1 TRP 7 7.556 4.741 3.176
48 HE1 TRP 7 HE1 TRP 7 8.180 7.196 2.687
49 HE3 TRP 7 HE3 TRP 7 12.621 4.230 2.786
50 HZ2 TRP 7 HZ2 TRP 7 10.578 8.721 2.196
51 HZ3 TRP 7 HZ3 TRP 7 14.051 6.194 2.305
52 HH2 TRP 7 HH2 TRP 7 13.037 8.438 2.007
53 HA PRO 8 HA PRO 8 13.504 0.458 4.240
54 HB2 PRO 8 HB2 PRO 8 12.288 -2.253 3.854
55 HB3 PRO 8 HB3 PRO 8 12.983 -1.516 5.326
56 HG2 PRO 8 HG3 PRO 8 10.318 -1.829 4.941
57 HG3 PRO 8 HG2 PRO 8 11.019 -0.506 5.910
58 HD2 PRO 8 HD2 PRO 8 9.759 -0.429 3.219
59 HD3 PRO 8 HD3 PRO 8 9.918 0.857 4.452
60 H LEU 9 H LEU 9 11.860 -0.884 1.387
61 HA LEU 9 HA LEU 9 14.280 -2.209 0.336
62 HB2 LEU 9 HB2 LEU 9 11.634 -2.489 -0.055
63 HB3 LEU 9 HB3 LEU 9 11.952 -1.333 -1.370
64 HG LEU 9 HG LEU 9 13.726 -3.759 -1.018
65 HD11 LEU 9 HD11 LEU 9 11.395 -4.606 -1.061
66 HD12 LEU 9 HD12 LEU 9 11.076 -3.651 -2.529
67 HD13 LEU 9 HD13 LEU 9 12.244 -4.993 -2.577
68 HD21 LEU 9 HD21 LEU 9 13.989 -3.442 -3.464
69 HD22 LEU 9 HD22 LEU 9 14.386 -1.949 -2.580
70 HD23 LEU 9 HD23 LEU 9 12.822 -2.099 -3.416
71 H ALA 10 H ALA 10 12.814 0.999 0.131
72 HA ALA 10 HA ALA 10 14.187 1.919 -2.259
73 HB1 ALA 10 HB1 ALA 10 13.194 3.939 -1.664
74 HB2 ALA 10 HB2 ALA 10 12.235 2.843 -0.641
75 HB3 ALA 10 HB3 ALA 10 13.599 3.747 0.059
76 H LEU 11 H LEU 11 15.027 2.004 1.223
77 HA LEU 11 HA LEU 11 17.553 3.453 0.777
78 HB2 LEU 11 HB2 LEU 11 16.228 1.893 3.026
79 HB3 LEU 11 HB3 LEU 11 17.873 2.547 3.209
80 HG LEU 11 HG LEU 11 15.557 4.278 2.276
81 HD11 LEU 11 HD11 LEU 11 14.956 3.296 4.474
82 HD12 LEU 11 HD12 LEU 11 15.333 5.029 4.629
83 HD13 LEU 11 HD13 LEU 11 16.528 3.810 5.133
84 HD21 LEU 11 HD21 LEU 11 17.034 6.078 3.132
85 HD22 LEU 11 HD22 LEU 11 17.870 5.094 1.908
86 HD23 LEU 11 HD23 LEU 11 18.229 4.859 3.635
87 H GLY 12 H GLY 12 16.534 0.066 0.860
88 HA2 GLY 12 HA3 GLY 12 19.208 -1.058 1.169
89 HA3 GLY 12 HA2 GLY 12 17.783 -1.920 0.540
90 H ALA 13 H ALA 13 17.293 0.072 -1.589
91 HA ALA 13 HA ALA 13 18.942 -1.112 -3.673
92 HB1 ALA 13 HB1 ALA 13 17.801 0.624 -5.060
93 HB2 ALA 13 HB2 ALA 13 17.263 1.443 -3.574
94 HB3 ALA 13 HB3 ALA 13 16.655 -0.184 -3.963
95 H LEU 14 H LEU 14 19.302 1.720 -1.604
96 HA LEU 14 HA LEU 14 21.383 2.982 -3.293
97 HB2 LEU 14 HB3 LEU 14 19.869 4.270 -1.837
98 HB3 LEU 14 HB2 LEU 14 20.424 3.359 -0.413
99 HG LEU 14 HG LEU 14 22.740 4.224 -0.805
100 HD11 LEU 14 HD11 LEU 14 22.522 4.613 -3.246
101 HD12 LEU 14 HD12 LEU 14 21.349 5.914 -2.933
102 HD13 LEU 14 HD13 LEU 14 23.040 6.094 -2.406
103 HD21 LEU 14 HD21 LEU 14 22.264 6.548 -0.076
104 HD22 LEU 14 HD22 LEU 14 20.573 6.366 -0.602
105 HD23 LEU 14 HD23 LEU 14 21.196 5.388 0.749
106 H LYS 15 H LYS 15 21.313 1.143 -0.198
107 HA LYS 15 HA LYS 15 24.207 1.218 0.175
108 HB2 LYS 15 HB2 LYS 15 22.146 -0.813 1.161
109 HB3 LYS 15 HB3 LYS 15 23.717 -0.447 1.910
110 HG2 LYS 15 HG2 LYS 15 21.763 1.809 1.496
111 HG3 LYS 15 HG3 LYS 15 21.469 0.662 2.825
112 HD2 LYS 15 HD3 LYS 15 22.807 2.407 3.771
113 HD3 LYS 15 HD2 LYS 15 23.926 1.050 3.494
114 HE2 LYS 15 HE2 LYS 15 24.994 2.123 1.716
115 HE3 LYS 15 HE3 LYS 15 23.537 3.064 1.283
116 HZ1 LYS 15 HZ1 LYS 15 25.173 4.431 2.436
117 HZ2 LYS 15 HZ2 LYS 15 25.138 3.428 3.744
118 HZ3 LYS 15 HZ3 LYS 15 23.797 4.295 3.335
119 H ASN 16 H ASN 16 22.026 -0.838 -1.686
120 HA ASN 16 HA ASN 16 24.044 -2.980 -2.075
121 HB2 ASN 16 HB2 ASN 16 21.353 -2.247 -3.323
122 HB3 ASN 16 HB3 ASN 16 22.255 -3.725 -3.737
123 HD21 ASN 16 HD21 ASN 16 20.670 -5.175 -2.791
124 HD22 ASN 16 HD22 ASN 16 20.429 -5.254 -1.060
125 H LEU 17 H LEU 17 23.046 0.009 -3.659
126 HA LEU 17 HA LEU 17 24.354 -0.605 -6.233
127 HB2 LEU 17 HB2 LEU 17 22.417 0.951 -5.880
128 HB3 LEU 17 HB3 LEU 17 23.479 2.024 -4.937
129 HG LEU 17 HG LEU 17 24.499 1.228 -7.624
130 HD11 LEU 17 HD11 LEU 17 22.090 1.574 -8.101
131 HD12 LEU 17 HD12 LEU 17 23.073 2.893 -8.781
132 HD13 LEU 17 HD13 LEU 17 22.154 3.151 -7.278
133 HD21 LEU 17 HD21 LEU 17 25.675 2.817 -6.124
134 HD22 LEU 17 HD22 LEU 17 24.244 3.876 -6.125
135 HD23 LEU 17 HD23 LEU 17 25.162 3.618 -7.628
136 H ILE 18 H ILE 18 25.313 0.831 -3.145
137 HA ILE 18 HA ILE 18 27.778 2.049 -4.247
138 HB ILE 18 HB ILE 18 28.208 2.454 -1.816
139 HG12 ILE 18 HG12 ILE 18 25.563 1.117 -1.214
140 HG13 ILE 18 HG13 ILE 18 27.059 0.153 -1.245
141 HG21 ILE 18 HG21 ILE 18 26.710 3.968 -3.088
142 HG22 ILE 18 HG22 ILE 18 26.186 3.819 -1.394
143 HG23 ILE 18 HG23 ILE 18 25.320 2.937 -2.674
144 HD11 ILE 18 HD11 ILE 18 28.086 1.717 0.397
145 HD12 ILE 18 HD12 ILE 18 26.604 0.971 1.042
146 HD13 ILE 18 HD13 ILE 18 26.569 2.647 0.445
147 H LYS 19 H LYS 19 26.811 -1.091 -3.023
148 HA LYS 19 HA LYS 19 29.412 -2.250 -3.758
149 HB2 LYS 19 HB2 LYS 19 28.867 -1.261 -1.019
150 HB3 LYS 19 HB3 LYS 19 29.403 -2.957 -1.061
151 HG2 LYS 19 HG3 LYS 19 31.527 -2.283 -1.425
152 HG3 LYS 19 HG2 LYS 19 31.014 -1.456 -2.915
153 HD2 LYS 19 HD2 LYS 19 30.113 0.337 -1.096
154 HD3 LYS 19 HD3 LYS 19 31.470 -0.349 -0.171
155 HE2 LYS 19 HE3 LYS 19 33.064 0.273 -1.845
156 HE3 LYS 19 HE2 LYS 19 31.788 0.586 -3.059
157 HZ1 LYS 19 HZ1 LYS 19 32.534 2.634 -1.993
158 HZ2 LYS 19 HZ2 LYS 19 32.139 2.044 -0.504
159 HZ3 LYS 19 HZ3 LYS 19 30.956 2.336 -1.616
160 HN1 NH2 20 H1 NH2 20 27.424 -3.376 -4.895
161 HN2 NH2 20 H2 NH2 20 26.716 -4.728 -4.038
Start of MODEL 9
1 H1 ACE 1 HH31 ACE 1 -1.728 -0.492 4.447
2 H2 ACE 1 HH32 ACE 1 -1.153 0.460 3.057
3 H3 ACE 1 HH33 ACE 1 -1.915 -1.127 2.794
4 H ILE 2 H ILE 2 0.401 -1.040 1.582
5 HA ILE 2 HA ILE 2 2.305 -2.461 3.470
6 HB ILE 2 HB ILE 2 1.891 -2.646 0.443
7 HG12 ILE 2 HG13 ILE 2 1.260 -4.789 2.493
8 HG13 ILE 2 HG12 ILE 2 0.068 -3.527 2.103
9 HG21 ILE 2 HG21 ILE 2 3.199 -4.930 1.237
10 HG22 ILE 2 HG22 ILE 2 3.913 -3.726 2.336
11 HG23 ILE 2 HG23 ILE 2 4.012 -3.492 0.574
12 HD11 ILE 2 HD11 ILE 2 -0.269 -5.537 0.690
13 HD12 ILE 2 HD12 ILE 2 0.209 -4.134 -0.296
14 HD13 ILE 2 HD13 ILE 2 1.402 -5.396 0.093
15 H PHE 3 H PHE 3 2.007 0.544 2.644
16 HA PHE 3 HA PHE 3 4.293 1.222 0.988
17 HB2 PHE 3 HB2 PHE 3 2.327 2.675 1.610
18 HB3 PHE 3 HB3 PHE 3 2.969 2.771 3.268
19 HD1 PHE 3 HD1 PHE 3 4.291 3.108 -0.245
20 HD2 PHE 3 HD2 PHE 3 4.197 4.681 3.750
21 HE1 PHE 3 HE1 PHE 3 5.796 4.953 -0.938
22 HE2 PHE 3 HE2 PHE 3 5.703 6.527 3.058
23 HZ PHE 3 HZ PHE 3 6.501 6.664 0.715
24 H GLY 4 H GLY 4 3.898 0.684 4.497
25 HA2 GLY 4 HA2 GLY 4 6.502 1.647 5.289
26 HA3 GLY 4 HA3 GLY 4 5.532 0.456 6.188
27 H ALA 5 H ALA 5 5.538 -1.172 3.515
28 HA ALA 5 HA ALA 5 8.030 -2.681 4.212
29 HB1 ALA 5 HB1 ALA 5 6.811 -4.450 3.405
30 HB2 ALA 5 HB2 ALA 5 6.302 -3.550 1.956
31 HB3 ALA 5 HB3 ALA 5 5.433 -3.327 3.493
32 H ILE 6 H ILE 6 6.845 -0.456 1.775
33 HA ILE 6 HA ILE 6 8.854 -1.270 -0.260
34 HB ILE 6 HB ILE 6 6.993 1.143 0.019
35 HG12 ILE 6 HG12 ILE 6 6.636 -1.399 -1.626
36 HG13 ILE 6 HG13 ILE 6 5.915 -1.164 -0.015
37 HG21 ILE 6 HG21 ILE 6 8.856 1.518 -1.575
38 HG22 ILE 6 HG22 ILE 6 7.304 1.353 -2.431
39 HG23 ILE 6 HG23 ILE 6 8.454 -0.006 -2.402
40 HD11 ILE 6 HD11 ILE 6 4.307 -0.564 -1.805
41 HD12 ILE 6 HD12 ILE 6 4.744 0.862 -0.835
42 HD13 ILE 6 HD13 ILE 6 5.465 0.627 -2.445
43 H TRP 7 H TRP 7 8.538 1.138 2.326
44 HA TRP 7 HA TRP 7 10.663 2.906 1.452
45 HB2 TRP 7 HB2 TRP 7 8.837 2.579 3.620
46 HB3 TRP 7 HB3 TRP 7 10.461 2.677 4.342
47 HD1 TRP 7 HD1 TRP 7 7.767 4.849 3.293
48 HE1 TRP 7 HE1 TRP 7 8.560 7.261 2.841
49 HE3 TRP 7 HE3 TRP 7 12.799 4.019 3.066
50 HZ2 TRP 7 HZ2 TRP 7 11.066 8.633 2.435
51 HZ3 TRP 7 HZ3 TRP 7 14.366 5.890 2.646
52 HH2 TRP 7 HH2 TRP 7 13.507 8.196 2.328
53 HA PRO 8 HA PRO 8 13.423 0.220 4.518
54 HB2 PRO 8 HB2 PRO 8 12.069 -2.415 4.057
55 HB3 PRO 8 HB3 PRO 8 12.769 -1.740 5.557
56 HG2 PRO 8 HG3 PRO 8 10.102 -1.893 5.109
57 HG3 PRO 8 HG2 PRO 8 10.855 -0.621 6.107
58 HD2 PRO 8 HD3 PRO 8 9.674 -0.457 3.385
59 HD3 PRO 8 HD2 PRO 8 9.855 0.815 4.629
60 H LEU 9 H LEU 9 11.792 -1.014 1.609
61 HA LEU 9 HA LEU 9 14.195 -2.415 0.603
62 HB2 LEU 9 HB2 LEU 9 11.486 -2.514 0.173
63 HB3 LEU 9 HB3 LEU 9 12.001 -1.552 -1.233
64 HG LEU 9 HG LEU 9 13.415 -4.126 -0.458
65 HD11 LEU 9 HD11 LEU 9 11.012 -4.638 -0.791
66 HD12 LEU 9 HD12 LEU 9 11.993 -5.272 -2.134
67 HD13 LEU 9 HD13 LEU 9 11.046 -3.781 -2.351
68 HD21 LEU 9 HD21 LEU 9 14.550 -2.571 -2.023
69 HD22 LEU 9 HD22 LEU 9 13.111 -2.574 -3.070
70 HD23 LEU 9 HD23 LEU 9 14.058 -4.066 -2.854
71 H ALA 10 H ALA 10 12.870 0.838 0.455
72 HA ALA 10 HA ALA 10 14.289 1.692 -1.961
73 HB1 ALA 10 HB1 ALA 10 13.649 3.945 -1.088
74 HB2 ALA 10 HB2 ALA 10 12.288 2.803 -0.990
75 HB3 ALA 10 HB3 ALA 10 13.218 3.206 0.473
76 H LEU 11 H LEU 11 15.115 1.459 1.475
77 HA LEU 11 HA LEU 11 17.572 3.103 1.185
78 HB2 LEU 11 HB2 LEU 11 16.331 1.325 3.329
79 HB3 LEU 11 HB3 LEU 11 17.882 2.166 3.567
80 HG LEU 11 HG LEU 11 15.286 3.556 2.772
81 HD11 LEU 11 HD11 LEU 11 15.130 2.582 5.050
82 HD12 LEU 11 HD12 LEU 11 16.672 3.356 5.485
83 HD13 LEU 11 HD13 LEU 11 15.246 4.357 5.121
84 HD21 LEU 11 HD21 LEU 11 17.377 4.706 2.089
85 HD22 LEU 11 HD22 LEU 11 16.557 5.595 3.394
86 HD23 LEU 11 HD23 LEU 11 17.983 4.595 3.760
87 H GLY 12 H GLY 12 16.659 -0.309 1.017
88 HA2 GLY 12 HA2 GLY 12 19.440 -1.274 1.243
89 HA3 GLY 12 HA3 GLY 12 18.025 -2.245 0.772
90 H ALA 13 H ALA 13 17.181 -0.434 -1.367
91 HA ALA 13 HA ALA 13 18.718 -1.556 -3.554
92 HB1 ALA 13 HB1 ALA 13 17.332 0.042 -4.883
93 HB2 ALA 13 HB2 ALA 13 16.355 -0.799 -3.655
94 HB3 ALA 13 HB3 ALA 13 16.877 0.881 -3.380
95 H LEU 14 H LEU 14 19.092 1.367 -1.621
96 HA LEU 14 HA LEU 14 20.960 2.628 -3.572
97 HB2 LEU 14 HB2 LEU 14 19.430 3.955 -2.163
98 HB3 LEU 14 HB3 LEU 14 20.121 3.230 -0.691
99 HG LEU 14 HG LEU 14 22.350 4.196 -1.313
100 HD11 LEU 14 HD11 LEU 14 21.960 4.333 -3.757
101 HD12 LEU 14 HD12 LEU 14 22.423 5.918 -3.093
102 HD13 LEU 14 HD13 LEU 14 20.721 5.582 -3.489
103 HD21 LEU 14 HD21 LEU 14 20.823 5.400 0.227
104 HD22 LEU 14 HD22 LEU 14 21.759 6.541 -0.767
105 HD23 LEU 14 HD23 LEU 14 20.057 6.205 -1.163
106 H LYS 15 H LYS 15 21.140 1.128 -0.308
107 HA LYS 15 HA LYS 15 24.012 1.407 -0.022
108 HB2 LYS 15 HB3 LYS 15 22.145 -0.744 1.092
109 HB3 LYS 15 HB2 LYS 15 23.684 -0.203 1.798
110 HG2 LYS 15 HG2 LYS 15 21.547 1.859 1.310
111 HG3 LYS 15 HG3 LYS 15 21.347 0.747 2.684
112 HD2 LYS 15 HD2 LYS 15 22.544 2.627 3.553
113 HD3 LYS 15 HD3 LYS 15 23.764 1.351 3.326
114 HE2 LYS 15 HE2 LYS 15 24.729 2.422 1.479
115 HE3 LYS 15 HE3 LYS 15 23.211 3.264 1.053
116 HZ1 LYS 15 HZ1 LYS 15 24.783 4.753 2.140
117 HZ2 LYS 15 HZ2 LYS 15 23.434 4.558 3.069
118 HZ3 LYS 15 HZ3 LYS 15 24.833 3.782 3.472
119 H ASN 16 H ASN 16 22.026 -0.791 -1.886
120 HA ASN 16 HA ASN 16 24.046 -2.932 -2.088
121 HB2 ASN 16 HB2 ASN 16 21.402 -2.147 -3.300
122 HB3 ASN 16 HB3 ASN 16 22.385 -3.350 -4.168
123 HD21 ASN 16 HD21 ASN 16 22.181 -2.873 -0.591
124 HD22 ASN 16 HD22 ASN 16 21.521 -4.461 -0.272
125 H LEU 17 H LEU 17 23.102 -0.080 -4.031
126 HA LEU 17 HA LEU 17 24.863 -0.747 -6.288
127 HB2 LEU 17 HB3 LEU 17 23.172 1.531 -5.290
128 HB3 LEU 17 HB2 LEU 17 24.417 1.917 -6.502
129 HG LEU 17 HG LEU 17 22.224 1.347 -7.554
130 HD11 LEU 17 HD11 LEU 17 24.344 0.879 -8.757
131 HD12 LEU 17 HD12 LEU 17 23.105 -0.340 -9.143
132 HD13 LEU 17 HD13 LEU 17 24.415 -0.732 -8.003
133 HD21 LEU 17 HD21 LEU 17 21.242 -0.823 -7.323
134 HD22 LEU 17 HD22 LEU 17 21.644 -0.309 -5.667
135 HD23 LEU 17 HD23 LEU 17 22.688 -1.474 -6.515
136 H ILE 18 H ILE 18 25.167 1.160 -3.301
137 HA ILE 18 HA ILE 18 27.889 2.110 -4.111
138 HB ILE 18 HB ILE 18 27.689 3.364 -1.976
139 HG12 ILE 18 HG13 ILE 18 25.055 2.897 -1.140
140 HG13 ILE 18 HG12 ILE 18 25.696 1.267 -1.458
141 HG21 ILE 18 HG21 ILE 18 25.663 4.675 -2.546
142 HG22 ILE 18 HG22 ILE 18 25.115 3.361 -3.615
143 HG23 ILE 18 HG23 ILE 18 26.597 4.268 -4.006
144 HD11 ILE 18 HD11 ILE 18 27.827 2.351 -0.162
145 HD12 ILE 18 HD12 ILE 18 26.511 3.275 0.600
146 HD13 ILE 18 HD13 ILE 18 26.512 1.497 0.680
147 H LYS 19 H LYS 19 26.387 -0.426 -2.204
148 HA LYS 19 HA LYS 19 29.157 -1.338 -1.393
149 HB2 LYS 19 HB2 LYS 19 27.087 -0.245 0.263
150 HB3 LYS 19 HB3 LYS 19 27.170 -1.987 0.616
151 HG2 LYS 19 HG3 LYS 19 29.624 -0.184 0.511
152 HG3 LYS 19 HG2 LYS 19 28.729 -0.529 2.010
153 HD2 LYS 19 HD2 LYS 19 29.033 -3.058 1.153
154 HD3 LYS 19 HD3 LYS 19 30.447 -2.342 0.343
155 HE2 LYS 19 HE2 LYS 19 31.209 -1.408 2.541
156 HE3 LYS 19 HE3 LYS 19 29.812 -2.196 3.332
157 HZ1 LYS 19 HZ1 LYS 19 31.773 -3.620 3.360
158 HZ2 LYS 19 HZ2 LYS 19 30.577 -4.300 2.451
159 HZ3 LYS 19 HZ3 LYS 19 31.865 -3.581 1.714
160 HN1 NH2 20 H1 NH2 20 29.131 -3.108 -2.920
161 HN2 NH2 20 H2 NH2 20 27.960 -4.403 -2.827
Start of MODEL 10
1 H1 ACE 1 HH31 ACE 1 -1.495 -2.080 3.986
2 H2 ACE 1 HH32 ACE 1 -1.574 -2.229 2.215
3 H3 ACE 1 HH33 ACE 1 -1.082 -0.688 2.958
4 H ILE 2 H ILE 2 0.696 -1.431 1.191
5 HA ILE 2 HA ILE 2 2.851 -2.887 2.762
6 HB ILE 2 HB ILE 2 3.657 -3.590 0.489
7 HG12 ILE 2 HG13 ILE 2 1.038 -2.439 -0.548
8 HG13 ILE 2 HG12 ILE 2 2.574 -1.545 -0.637
9 HG21 ILE 2 HG21 ILE 2 2.107 -5.036 1.776
10 HG22 ILE 2 HG22 ILE 2 0.719 -4.195 1.047
11 HG23 ILE 2 HG23 ILE 2 1.804 -5.169 0.027
12 HD11 ILE 2 HD11 ILE 2 2.149 -2.795 -2.736
13 HD12 ILE 2 HD12 ILE 2 2.055 -4.314 -1.812
14 HD13 ILE 2 HD13 ILE 2 3.592 -3.420 -1.901
15 H PHE 3 H PHE 3 2.094 0.086 2.514
16 HA PHE 3 HA PHE 3 4.146 1.368 0.868
17 HB2 PHE 3 HB2 PHE 3 2.700 2.368 3.368
18 HB3 PHE 3 HB3 PHE 3 3.396 3.366 2.069
19 HD1 PHE 3 HD1 PHE 3 0.383 2.326 3.294
20 HD2 PHE 3 HD2 PHE 3 2.581 2.286 -0.394
21 HE1 PHE 3 HE1 PHE 3 -1.745 2.156 2.029
22 HE2 PHE 3 HE2 PHE 3 0.456 2.117 -1.661
23 HZ PHE 3 HZ PHE 3 -1.707 2.054 -0.451
24 H GLY 4 H GLY 4 3.904 0.599 4.372
25 HA2 GLY 4 HA2 GLY 4 6.535 1.672 5.003
26 HA3 GLY 4 HA3 GLY 4 5.602 0.542 6.015
27 H ALA 5 H ALA 5 5.583 -1.053 3.202
28 HA ALA 5 HA ALA 5 7.953 -2.709 3.998
29 HB1 ALA 5 HB1 ALA 5 6.916 -4.290 2.366
30 HB2 ALA 5 HB2 ALA 5 5.724 -3.707 3.553
31 HB3 ALA 5 HB3 ALA 5 5.745 -3.030 1.907
32 H ILE 6 H ILE 6 6.901 -0.505 1.442
33 HA ILE 6 HA ILE 6 9.095 -1.293 -0.401
34 HB ILE 6 HB ILE 6 7.109 1.030 -0.310
35 HG12 ILE 6 HG13 ILE 6 6.059 -1.211 -0.468
36 HG13 ILE 6 HG12 ILE 6 5.876 -0.309 -1.989
37 HG21 ILE 6 HG21 ILE 6 8.672 1.834 -1.824
38 HG22 ILE 6 HG22 ILE 6 7.703 0.816 -2.915
39 HG23 ILE 6 HG23 ILE 6 9.243 0.206 -2.263
40 HD11 ILE 6 HD11 ILE 6 6.726 -2.855 -1.963
41 HD12 ILE 6 HD12 ILE 6 7.351 -1.677 -3.142
42 HD13 ILE 6 HD13 ILE 6 8.297 -2.065 -1.685
43 H TRP 7 H TRP 7 8.475 1.201 2.056
44 HA TRP 7 HA TRP 7 10.594 3.018 1.323
45 HB2 TRP 7 HB3 TRP 7 8.639 2.656 3.354
46 HB3 TRP 7 HB2 TRP 7 10.200 2.789 4.201
47 HD1 TRP 7 HD1 TRP 7 7.553 4.890 2.855
48 HE1 TRP 7 HE1 TRP 7 8.330 7.320 2.484
49 HE3 TRP 7 HE3 TRP 7 12.596 4.193 3.220
50 HZ2 TRP 7 HZ2 TRP 7 10.830 8.759 2.364
51 HZ3 TRP 7 HZ3 TRP 7 14.154 6.104 2.971
52 HH2 TRP 7 HH2 TRP 7 13.278 8.384 2.545
53 HA PRO 8 HA PRO 8 13.279 0.504 4.591
54 HB2 PRO 8 HB3 PRO 8 12.084 -2.196 4.086
55 HB3 PRO 8 HB2 PRO 8 12.657 -1.479 5.619
56 HG2 PRO 8 HG2 PRO 8 10.032 -1.766 5.008
57 HG3 PRO 8 HG3 PRO 8 10.657 -0.442 6.027
58 HD2 PRO 8 HD3 PRO 8 9.648 -0.375 3.234
59 HD3 PRO 8 HD2 PRO 8 9.681 0.919 4.469
60 H LEU 9 H LEU 9 11.887 -0.900 1.631
61 HA LEU 9 HA LEU 9 14.418 -2.169 0.790
62 HB2 LEU 9 HB2 LEU 9 12.119 -2.930 0.164
63 HB3 LEU 9 HB3 LEU 9 11.872 -1.409 -0.726
64 HG LEU 9 HG LEU 9 14.345 -2.946 -1.397
65 HD11 LEU 9 HD11 LEU 9 12.661 -4.755 -1.179
66 HD12 LEU 9 HD12 LEU 9 11.556 -3.853 -2.244
67 HD13 LEU 9 HD13 LEU 9 13.092 -4.483 -2.885
68 HD21 LEU 9 HD21 LEU 9 13.710 -0.831 -2.527
69 HD22 LEU 9 HD22 LEU 9 13.704 -2.195 -3.671
70 HD23 LEU 9 HD23 LEU 9 12.168 -1.565 -3.031
71 H ALA 10 H ALA 10 13.013 1.028 0.583
72 HA ALA 10 HA ALA 10 14.443 1.923 -1.809
73 HB1 ALA 10 HB1 ALA 10 13.407 3.949 -1.284
74 HB2 ALA 10 HB2 ALA 10 13.695 3.759 0.462
75 HB3 ALA 10 HB3 ALA 10 12.392 2.841 -0.330
76 H LEU 11 H LEU 11 15.229 1.729 1.647
77 HA LEU 11 HA LEU 11 17.676 3.389 1.361
78 HB2 LEU 11 HB2 LEU 11 16.536 1.578 3.545
79 HB3 LEU 11 HB3 LEU 11 17.955 2.631 3.757
80 HG LEU 11 HG LEU 11 15.467 3.887 2.651
81 HD11 LEU 11 HD11 LEU 11 14.601 2.470 4.493
82 HD12 LEU 11 HD12 LEU 11 14.547 4.194 4.933
83 HD13 LEU 11 HD13 LEU 11 15.828 3.147 5.590
84 HD21 LEU 11 HD21 LEU 11 16.280 5.764 4.055
85 HD22 LEU 11 HD22 LEU 11 17.569 5.159 2.988
86 HD23 LEU 11 HD23 LEU 11 17.561 4.716 4.711
87 H GLY 12 H GLY 12 16.792 -0.024 1.192
88 HA2 GLY 12 HA3 GLY 12 19.607 -0.931 1.466
89 HA3 GLY 12 HA2 GLY 12 18.202 -1.955 1.087
90 H ALA 13 H ALA 13 17.294 -0.210 -1.124
91 HA ALA 13 HA ALA 13 18.708 -1.472 -3.302
92 HB1 ALA 13 HB1 ALA 13 17.384 0.160 -4.654
93 HB2 ALA 13 HB2 ALA 13 16.395 -0.573 -3.368
94 HB3 ALA 13 HB3 ALA 13 17.026 1.079 -3.172
95 H LEU 14 H LEU 14 19.190 1.613 -1.617
96 HA LEU 14 HA LEU 14 21.097 2.663 -3.612
97 HB2 LEU 14 HB2 LEU 14 19.711 4.092 -2.153
98 HB3 LEU 14 HB3 LEU 14 20.444 3.360 -0.705
99 HG LEU 14 HG LEU 14 22.684 4.194 -1.475
100 HD11 LEU 14 HD11 LEU 14 22.156 4.320 -3.895
101 HD12 LEU 14 HD12 LEU 14 22.737 5.887 -3.285
102 HD13 LEU 14 HD13 LEU 14 20.999 5.634 -3.574
103 HD21 LEU 14 HD21 LEU 14 22.245 6.575 -0.935
104 HD22 LEU 14 HD22 LEU 14 20.507 6.319 -1.221
105 HD23 LEU 14 HD23 LEU 14 21.317 5.495 0.133
106 H LYS 15 H LYS 15 21.383 1.242 -0.311
107 HA LYS 15 HA LYS 15 24.238 1.356 -0.096
108 HB2 LYS 15 HB3 LYS 15 22.037 0.390 1.333
109 HB3 LYS 15 HB2 LYS 15 22.962 -1.088 0.973
110 HG2 LYS 15 HG3 LYS 15 24.345 -0.548 2.680
111 HG3 LYS 15 HG2 LYS 15 24.891 0.846 1.717
112 HD2 LYS 15 HD2 LYS 15 22.453 0.863 3.550
113 HD3 LYS 15 HD3 LYS 15 24.057 1.489 4.001
114 HE2 LYS 15 HE3 LYS 15 23.004 2.501 1.402
115 HE3 LYS 15 HE2 LYS 15 22.101 3.038 2.849
116 HZ1 LYS 15 HZ1 LYS 15 24.025 4.449 2.419
117 HZ2 LYS 15 HZ2 LYS 15 25.040 3.153 2.506
118 HZ3 LYS 15 HZ3 LYS 15 24.215 3.646 3.847
119 H ASN 16 H ASN 16 22.128 -0.982 -1.768
120 HA ASN 16 HA ASN 16 24.258 -2.927 -2.305
121 HB2 ASN 16 HB3 ASN 16 21.462 -2.296 -3.286
122 HB3 ASN 16 HB2 ASN 16 22.437 -3.510 -4.148
123 HD21 ASN 16 HD21 ASN 16 21.473 -2.645 -0.751
124 HD22 ASN 16 HD22 ASN 16 21.333 -4.307 -0.225
125 H LEU 17 H LEU 17 22.960 -0.069 -3.996
126 HA LEU 17 HA LEU 17 24.377 -0.548 -6.509
127 HB2 LEU 17 HB3 LEU 17 22.373 0.914 -6.165
128 HB3 LEU 17 HB2 LEU 17 23.370 2.020 -5.189
129 HG LEU 17 HG LEU 17 24.920 1.840 -7.420
130 HD11 LEU 17 HD11 LEU 17 23.288 0.370 -8.572
131 HD12 LEU 17 HD12 LEU 17 22.026 1.607 -8.362
132 HD13 LEU 17 HD13 LEU 17 23.433 1.939 -9.401
133 HD21 LEU 17 HD21 LEU 17 24.116 3.912 -6.321
134 HD22 LEU 17 HD22 LEU 17 23.917 4.005 -8.087
135 HD23 LEU 17 HD23 LEU 17 22.509 3.674 -7.048
136 H ILE 18 H ILE 18 25.225 0.986 -3.429
137 HA ILE 18 HA ILE 18 27.748 2.107 -4.585
138 HB ILE 18 HB ILE 18 27.965 3.001 -2.257
139 HG12 ILE 18 HG12 ILE 18 25.274 1.734 -1.662
140 HG13 ILE 18 HG13 ILE 18 26.791 0.878 -1.295
141 HG21 ILE 18 HG21 ILE 18 26.601 4.216 -3.937
142 HG22 ILE 18 HG22 ILE 18 25.929 4.409 -2.300
143 HG23 ILE 18 HG23 ILE 18 25.168 3.280 -3.447
144 HD11 ILE 18 HD11 ILE 18 25.999 2.168 0.669
145 HD12 ILE 18 HD12 ILE 18 27.549 2.806 0.068
146 HD13 ILE 18 HD13 ILE 18 26.032 3.662 -0.299
147 H LYS 19 H LYS 19 26.624 -0.717 -2.834
148 HA LYS 19 HA LYS 19 29.317 -1.423 -1.795
149 HB2 LYS 19 HB2 LYS 19 26.549 -2.672 -1.930
150 HB3 LYS 19 HB3 LYS 19 27.943 -3.613 -1.349
151 HG2 LYS 19 HG3 LYS 19 27.631 -0.873 -0.200
152 HG3 LYS 19 HG2 LYS 19 26.406 -2.072 0.282
153 HD2 LYS 19 HD2 LYS 19 28.355 -3.657 0.796
154 HD3 LYS 19 HD3 LYS 19 29.427 -2.249 0.611
155 HE2 LYS 19 HE2 LYS 19 27.073 -1.754 2.359
156 HE3 LYS 19 HE3 LYS 19 28.222 -2.972 2.985
157 HZ1 LYS 19 HZ1 LYS 19 28.919 -0.719 3.544
158 HZ2 LYS 19 HZ2 LYS 19 30.012 -1.428 2.533
159 HZ3 LYS 19 HZ3 LYS 19 28.959 -0.300 1.949
160 HN1 NH2 20 H1 NH2 20 29.725 -4.061 -2.390
161 HN2 NH2 20 H2 NH2 20 29.882 -4.312 -4.114