Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649677 | 6vjq RC | 30714 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 CYS 1 HT1 CYS 1 13.490 -9.044 -0.890
2 H2 CYS 1 HT2 CYS 1 12.856 -9.202 0.678
3 H3 CYS 1 HT3 CYS 1 14.346 -9.918 0.285
4 HA CYS 1 HA CYS 1 14.047 -7.515 1.481
5 HB2 CYS 1 HB2 CYS 1 16.072 -9.121 1.109
6 HB3 CYS 1 HB1 CYS 1 16.395 -8.118 -0.302
7 H CYS 2 HN CYS 2 13.990 -5.381 0.900
8 HA CYS 2 HA CYS 2 13.012 -4.692 -1.684
9 HB2 CYS 2 HB2 CYS 2 13.370 -3.397 0.848
10 HB3 CYS 2 HB1 CYS 2 14.060 -2.378 -0.416
11 H ILE 3 HN ILE 3 16.130 -4.227 -0.060
12 HA ILE 3 HA ILE 3 17.385 -3.883 -2.713
13 HB ILE 3 HB ILE 3 18.918 -2.237 -1.739
14 HG12 ILE 3 HG12 ILE 3 17.181 -2.419 0.741
15 HG13 ILE 3 HG11 ILE 3 18.765 -3.181 0.595
16 HG21 ILE 3 HG21 ILE 3 17.098 -1.156 -2.740
17 HG22 ILE 3 HG22 ILE 3 17.077 -0.490 -1.108
18 HG23 ILE 3 HG23 ILE 3 15.953 -1.774 -1.551
19 HD11 ILE 3 HD11 ILE 3 18.637 -0.310 -0.140
20 HD12 ILE 3 HD12 ILE 3 19.886 -1.193 0.735
21 HD13 ILE 3 HD13 ILE 3 18.421 -0.681 1.570
22 H DBB 4 HN DBB 4 17.096 -5.831 -0.129
23 HA DBB 4 HA DBB 4 19.007 -7.653 -0.584
24 HB2 DBB 4 HB2 DBB 4 18.460 -8.498 1.459
25 HG1 DBB 4 HG1 DBB 4 19.013 -5.804 2.749
26 HG2 DBB 4 HG2 DBB 4 20.241 -7.050 2.522
27 HG3 DBB 4 HG3 DBB 4 18.856 -7.356 3.570
28 H GLY 5 HN GLY 5 19.485 -4.669 1.231
29 HA2 GLY 5 HA2 GLY 5 22.413 -5.056 1.074
30 HA3 GLY 5 HA1 GLY 5 21.681 -3.544 0.549
31 H GLU 6 HN GLU 6 22.078 -2.017 2.020
32 HA GLU 6 HA GLU 6 21.450 -2.597 4.837
33 HB2 GLU 6 HB2 GLU 6 23.988 -1.314 3.805
34 HB3 GLU 6 HB1 GLU 6 23.476 -1.260 5.493
35 HG2 GLU 6 HG2 GLU 6 23.495 -3.704 5.612
36 HG3 GLU 6 HG1 GLU 6 23.916 -3.804 3.902
37 H SER 7 HN SER 7 20.540 -0.904 2.310
38 HA SER 7 HA SER 7 20.510 1.768 3.468
39 HB2 SER 7 HB2 SER 7 18.820 1.247 1.119
40 HB3 SER 7 HB1 SER 7 20.040 2.492 1.379
41 HG SER 7 HG SER 7 20.667 0.957 -0.211
42 HA PRO 8 HA PRO 8 16.434 2.118 5.089
43 HB2 PRO 8 HB2 PRO 8 15.260 3.219 2.578
44 HB3 PRO 8 HB1 PRO 8 15.242 3.888 4.220
45 HG2 PRO 8 HG2 PRO 8 16.820 4.888 2.320
46 HG3 PRO 8 HG1 PRO 8 17.332 4.809 4.015
47 HD2 PRO 8 HD2 PRO 8 18.198 3.123 1.707
48 HD3 PRO 8 HD1 PRO 8 19.108 3.614 3.154
49 H GLY 9 HN GLY 9 16.354 0.970 1.729
50 HA2 GLY 9 HA2 GLY 9 15.575 -1.470 1.668
51 HA3 GLY 9 HA1 GLY 9 14.115 -0.829 2.413
52 H DAL 10 HN DAL 10 12.522 -0.676 0.977
53 HA DAL 10 HA DAL 10 11.464 0.386 -0.860
54 HB1 DAL 10 HB2 DAL 10 13.117 -1.637 -2.347
55 HB2 DAL 10 HB3 DAL 10 11.424 -1.202 -2.582
56 H ALA 11 HN ALA 11 13.535 2.069 -0.275
57 HA ALA 11 HA ALA 11 14.363 3.911 -1.488
58 HB1 ALA 11 HB1 ALA 11 16.651 3.337 -2.231
59 HB2 ALA 11 HB2 ALA 11 16.259 1.625 -2.069
60 HB3 ALA 11 HB3 ALA 11 16.284 2.663 -0.643
61 HA PRO 12 HA PRO 12 12.688 2.553 -5.630
62 HB2 PRO 12 HB2 PRO 12 10.966 4.698 -5.841
63 HB3 PRO 12 HB1 PRO 12 10.524 3.128 -5.146
64 HG2 PRO 12 HG2 PRO 12 11.254 5.664 -3.782
65 HG3 PRO 12 HG1 PRO 12 10.052 4.441 -3.333
66 HD2 PRO 12 HD2 PRO 12 12.489 4.628 -2.114
67 HD3 PRO 12 HD1 PRO 12 11.612 3.093 -2.286
68 H DBB 13 HN DBB 13 14.234 5.234 -4.235
69 HA DBB 13 HA DBB 13 14.504 7.163 -6.151
70 HB2 DBB 13 HB2 DBB 13 15.177 5.314 -7.695
71 HG1 DBB 13 HG1 DBB 13 16.387 3.691 -6.687
72 HG2 DBB 13 HG2 DBB 13 17.017 4.792 -5.462
73 HG3 DBB 13 HG3 DBB 13 17.765 4.729 -7.056
74 H ASN 14 HN ASN 14 15.980 5.109 -3.780
75 HA ASN 14 HA ASN 14 17.872 7.236 -3.007
76 HB2 ASN 14 HB2 ASN 14 15.764 7.405 -1.675
77 HB3 ASN 14 HB1 ASN 14 16.061 5.773 -1.075
78 HD21 ASN 14 HD21 ASN 14 15.980 7.961 0.736
79 HD22 ASN 14 HD22 ASN 14 17.547 8.223 1.347
80 H ASP 15 HN ASP 15 18.356 4.751 -4.372
81 HA ASP 15 HA ASP 15 20.092 3.455 -2.369
82 HB2 ASP 15 HB2 ASP 15 19.535 1.254 -3.246
83 HB3 ASP 15 HB1 ASP 15 18.073 2.060 -2.690
84 H TYR 16 HN TYR 16 20.779 1.440 -4.430
85 HA TYR 16 HA TYR 16 22.955 2.885 -5.620
86 HB2 TYR 16 HB2 TYR 16 23.391 0.595 -6.687
87 HB3 TYR 16 HB1 TYR 16 23.461 0.689 -4.927
88 HD1 TYR 16 HD1 TYR 16 21.491 -0.494 -7.815
89 HD2 TYR 16 HD2 TYR 16 21.729 -0.291 -3.530
90 HE1 TYR 16 HE1 TYR 16 19.712 -2.212 -7.633
91 HE2 TYR 16 HE2 TYR 16 19.949 -2.008 -3.350
92 HH TYR 16 HH TYR 16 19.117 -3.971 -5.010
93 H LYS 17 HN LYS 17 20.337 3.768 -6.484
94 HA LYS 17 HA LYS 17 20.812 3.629 -9.343
95 HB2 LYS 17 HB2 LYS 17 18.305 2.527 -8.080
96 HB3 LYS 17 HB1 LYS 17 18.375 3.041 -9.767
97 HG2 LYS 17 HG2 LYS 17 20.222 1.479 -10.191
98 HG3 LYS 17 HG1 LYS 17 20.212 0.984 -8.497
99 HD2 LYS 17 HD2 LYS 17 17.872 0.190 -8.764
100 HD3 LYS 17 HD1 LYS 17 17.933 0.635 -10.470
101 HE2 LYS 17 HE2 LYS 17 19.868 -1.300 -9.173
102 HE3 LYS 17 HE1 LYS 17 18.410 -1.802 -10.026
103 HZ1 LYS 17 HZ1 LYS 17 20.766 -1.506 -11.209
104 HZ2 LYS 17 HZ2 LYS 17 20.142 0.060 -11.431
105 HZ3 LYS 17 HZ3 LYS 17 19.290 -1.288 -12.018
106 H CYS 18 HN CYS 18 20.585 5.539 -6.941
107 HA CYS 18 HA CYS 18 19.304 7.666 -8.447
108 HB2 CYS 18 HB2 CYS 18 18.109 6.504 -5.965
109 HB3 CYS 18 HB1 CYS 18 18.034 8.249 -6.201
110 H DBB 19 HN DBB 19 22.005 7.102 -7.552
111 HA DBB 19 HA DBB 19 23.030 9.491 -6.860
112 HB2 DBB 19 HB2 DBB 19 23.887 6.811 -5.761
113 HG1 DBB 19 HG1 DBB 19 24.694 8.787 -4.421
114 HG2 DBB 19 HG2 DBB 19 25.485 9.377 -5.882
115 HG3 DBB 19 HG3 DBB 19 25.983 7.844 -5.166
116 H LYS 20 HN LYS 20 21.216 7.383 -4.773
117 HA LYS 20 HA LYS 20 21.774 9.081 -2.437
118 HB2 LYS 20 HB2 LYS 20 19.038 8.553 -3.609
119 HB3 LYS 20 HB1 LYS 20 19.299 9.175 -1.979
120 HG2 LYS 20 HG2 LYS 20 20.530 11.100 -2.899
121 HG3 LYS 20 HG1 LYS 20 20.289 10.478 -4.532
122 HD2 LYS 20 HD2 LYS 20 17.845 10.648 -4.243
123 HD3 LYS 20 HD1 LYS 20 18.083 11.273 -2.609
124 HE2 LYS 20 HE2 LYS 20 19.322 13.200 -3.519
125 HE3 LYS 20 HE1 LYS 20 19.099 12.576 -5.153
126 HZ1 LYS 20 HZ1 LYS 20 17.030 13.354 -5.228
127 HZ2 LYS 20 HZ2 LYS 20 17.408 14.256 -3.840
128 HZ3 LYS 20 HZ3 LYS 20 16.644 12.746 -3.693
129 H GLY 21 HN GLY 21 21.401 8.082 -0.440
130 HA2 GLY 21 HA2 GLY 21 20.361 6.188 0.777
131 HA3 GLY 21 HA1 GLY 21 20.845 5.174 -0.580
132 H ARG 22 HN ARG 22 21.959 3.844 0.993
133 HA ARG 22 HA ARG 22 24.608 4.953 1.697
134 HB2 ARG 22 HB2 ARG 22 22.829 3.171 3.374
135 HB3 ARG 22 HB1 ARG 22 24.534 3.455 3.721
136 HG2 ARG 22 HG2 ARG 22 24.111 5.874 3.885
137 HG3 ARG 22 HG1 ARG 22 22.408 5.608 3.517
138 HD2 ARG 22 HD2 ARG 22 22.198 4.201 5.541
139 HD3 ARG 22 HD1 ARG 22 23.894 4.493 5.914
140 HE ARG 22 HE ARG 22 21.693 6.381 6.226
141 HH11 ARG 22 HH11 ARG 22 25.107 5.823 6.047
142 HH12 ARG 22 HH12 ARG 22 25.526 7.276 6.888
143 HH21 ARG 22 HH21 ARG 22 22.240 8.288 7.328
144 HH22 ARG 22 HH22 ARG 22 23.905 8.672 7.612
145 H GLY 23 HN GLY 23 26.354 3.530 1.541
146 HA2 GLY 23 HA2 GLY 23 26.733 0.946 1.323
147 HA3 GLY 23 HA1 GLY 23 25.865 1.205 -0.187
148 HA PRO 24 HA PRO 24 30.638 2.368 -0.133
149 HB2 PRO 24 HB2 PRO 24 30.882 -0.342 -1.352
150 HB3 PRO 24 HB1 PRO 24 31.965 0.487 -0.219
151 HG2 PRO 24 HG2 PRO 24 30.377 -1.498 0.576
152 HG3 PRO 24 HG1 PRO 24 30.719 -0.104 1.616
153 HD2 PRO 24 HD2 PRO 24 28.230 -0.748 0.090
154 HD3 PRO 24 HD1 PRO 24 28.417 0.093 1.646
155 H GLY 25 HN GLY 25 28.603 0.521 -2.377
156 HA2 GLY 25 HA2 GLY 25 29.400 2.372 -4.537
157 HA3 GLY 25 HA1 GLY 25 29.378 0.633 -4.822
158 H GLY 26 HN GLY 26 27.811 1.232 -6.532
159 HA2 GLY 26 HA2 GLY 26 25.640 1.112 -7.317
160 HA3 GLY 26 HA1 GLY 26 25.137 0.740 -5.671
161 H CYS 27 HN CYS 27 25.225 3.115 -8.109
162 HA CYS 27 HA CYS 27 24.096 5.069 -6.210
163 HB2 CYS 27 HB2 CYS 27 26.230 5.970 -6.730
164 HB3 CYS 27 HB1 CYS 27 26.071 5.555 -8.438
165 H TYR 28 HN TYR 28 24.535 4.976 -9.749
166 HA TYR 28 HA TYR 28 21.679 5.616 -10.033
167 HB2 TYR 28 HB2 TYR 28 23.951 5.737 -12.035
168 HB3 TYR 28 HB1 TYR 28 22.280 6.191 -12.369
169 HD1 TYR 28 HD1 TYR 28 25.422 7.201 -10.859
170 HD2 TYR 28 HD2 TYR 28 21.226 8.087 -11.091
171 HE1 TYR 28 HE1 TYR 28 25.848 9.458 -9.923
172 HE2 TYR 28 HE2 TYR 28 21.650 10.344 -10.155
173 HH TYR 28 HH TYR 28 24.589 11.204 -8.696
Start of MODEL 2
1 H1 CYS 1 HT1 CYS 1 17.291 -8.014 3.019
2 H2 CYS 1 HT2 CYS 1 15.728 -7.508 2.585
3 H3 CYS 1 HT3 CYS 1 16.768 -6.448 3.410
4 HA CYS 1 HA CYS 1 17.941 -5.905 1.579
5 HB2 CYS 1 HB2 CYS 1 18.160 -8.630 1.355
6 HB3 CYS 1 HB1 CYS 1 17.310 -8.213 -0.123
7 H CYS 2 HN CYS 2 15.678 -4.801 1.921
8 HA CYS 2 HA CYS 2 13.536 -5.340 0.181
9 HB2 CYS 2 HB2 CYS 2 12.617 -3.420 1.004
10 HB3 CYS 2 HB1 CYS 2 13.918 -3.566 2.185
11 H ILE 3 HN ILE 3 16.432 -3.345 -0.207
12 HA ILE 3 HA ILE 3 15.744 -2.976 -3.056
13 HB ILE 3 HB ILE 3 16.098 -0.922 -1.608
14 HG12 ILE 3 HG12 ILE 3 17.664 0.138 -3.303
15 HG13 ILE 3 HG11 ILE 3 17.874 -1.466 -4.004
16 HG21 ILE 3 HG21 ILE 3 18.945 -1.968 -1.669
17 HG22 ILE 3 HG22 ILE 3 17.932 -1.800 -0.236
18 HG23 ILE 3 HG23 ILE 3 18.468 -0.365 -1.110
19 HD11 ILE 3 HD11 ILE 3 16.129 -0.381 -5.254
20 HD12 ILE 3 HD12 ILE 3 15.303 0.117 -3.777
21 HD13 ILE 3 HD13 ILE 3 15.352 -1.587 -4.229
22 H DBB 4 HN DBB 4 17.441 -4.986 -1.157
23 HA DBB 4 HA DBB 4 19.285 -5.679 -3.304
24 HB2 DBB 4 HB2 DBB 4 17.813 -7.262 -1.746
25 HG1 DBB 4 HG1 DBB 4 19.562 -7.710 -3.664
26 HG2 DBB 4 HG2 DBB 4 19.085 -9.024 -2.589
27 HG3 DBB 4 HG3 DBB 4 20.612 -8.181 -2.327
28 H GLY 5 HN GLY 5 19.333 -3.697 -0.634
29 HA2 GLY 5 HA2 GLY 5 22.262 -3.998 -0.311
30 HA3 GLY 5 HA1 GLY 5 21.474 -2.426 -0.417
31 H GLU 6 HN GLU 6 21.329 -1.459 1.497
32 HA GLU 6 HA GLU 6 21.350 -3.029 3.952
33 HB2 GLU 6 HB2 GLU 6 22.780 -1.024 3.762
34 HB3 GLU 6 HB1 GLU 6 21.339 -0.029 3.543
35 HG2 GLU 6 HG2 GLU 6 20.508 -0.717 5.749
36 HG3 GLU 6 HG1 GLU 6 21.921 -1.748 5.970
37 H SER 7 HN SER 7 19.076 -1.762 1.845
38 HA SER 7 HA SER 7 16.807 -1.451 1.951
39 HB2 SER 7 HB2 SER 7 16.520 -2.840 4.544
40 HB3 SER 7 HB1 SER 7 15.689 -3.118 3.016
41 HG SER 7 HG SER 7 18.375 -3.827 3.625
42 HA PRO 8 HA PRO 8 17.569 1.688 5.426
43 HB2 PRO 8 HB2 PRO 8 17.803 3.887 3.785
44 HB3 PRO 8 HB1 PRO 8 19.179 2.931 4.366
45 HG2 PRO 8 HG2 PRO 8 17.809 2.869 1.729
46 HG3 PRO 8 HG1 PRO 8 19.531 2.705 2.114
47 HD2 PRO 8 HD2 PRO 8 17.943 0.564 1.511
48 HD3 PRO 8 HD1 PRO 8 19.349 0.447 2.592
49 H GLY 9 HN GLY 9 15.552 1.384 2.627
50 HA2 GLY 9 HA2 GLY 9 13.135 1.871 3.835
51 HA3 GLY 9 HA1 GLY 9 13.676 3.454 3.286
52 H DAL 10 HN DAL 10 13.749 0.146 1.939
53 HA DAL 10 HA DAL 10 11.957 0.798 -0.200
54 HB1 DAL 10 HB2 DAL 10 12.689 -1.457 -1.083
55 HB2 DAL 10 HB3 DAL 10 12.017 -1.479 0.548
56 H ALA 11 HN ALA 11 13.986 2.681 -0.203
57 HA ALA 11 HA ALA 11 15.465 3.734 -1.602
58 HB1 ALA 11 HB1 ALA 11 17.079 2.067 -1.013
59 HB2 ALA 11 HB2 ALA 11 17.153 2.257 -2.764
60 HB3 ALA 11 HB3 ALA 11 16.317 0.872 -2.063
61 HA PRO 12 HA PRO 12 12.615 2.542 -5.160
62 HB2 PRO 12 HB2 PRO 12 11.102 4.835 -5.091
63 HB3 PRO 12 HB1 PRO 12 10.679 3.348 -4.223
64 HG2 PRO 12 HG2 PRO 12 11.929 5.843 -3.207
65 HG3 PRO 12 HG1 PRO 12 10.752 4.769 -2.433
66 HD2 PRO 12 HD2 PRO 12 13.427 4.758 -1.818
67 HD3 PRO 12 HD1 PRO 12 12.378 3.335 -1.644
68 H DBB 13 HN DBB 13 14.758 4.992 -4.242
69 HA DBB 13 HA DBB 13 14.694 6.595 -6.629
70 HB2 DBB 13 HB2 DBB 13 16.527 5.780 -7.793
71 HG1 DBB 13 HG1 DBB 13 16.410 3.267 -7.819
72 HG2 DBB 13 HG2 DBB 13 14.836 4.048 -7.958
73 HG3 DBB 13 HG3 DBB 13 15.342 3.350 -6.419
74 H ASN 14 HN ASN 14 16.160 5.539 -3.665
75 HA ASN 14 HA ASN 14 17.526 8.151 -3.406
76 HB2 ASN 14 HB2 ASN 14 15.664 8.270 -1.949
77 HB3 ASN 14 HB1 ASN 14 15.877 6.605 -1.409
78 HD21 ASN 14 HD21 ASN 14 16.716 6.543 0.668
79 HD22 ASN 14 HD22 ASN 14 17.856 7.640 1.297
80 H ASP 15 HN ASP 15 17.984 4.895 -3.687
81 HA ASP 15 HA ASP 15 20.703 5.059 -2.732
82 HB2 ASP 15 HB2 ASP 15 19.183 4.535 -0.696
83 HB3 ASP 15 HB1 ASP 15 19.017 2.940 -1.426
84 H TYR 16 HN TYR 16 21.709 2.748 -2.863
85 HA TYR 16 HA TYR 16 22.382 1.062 -4.266
86 HB2 TYR 16 HB2 TYR 16 20.266 0.096 -3.326
87 HB3 TYR 16 HB1 TYR 16 19.417 0.708 -4.746
88 HD1 TYR 16 HD1 TYR 16 22.101 -1.588 -3.601
89 HD2 TYR 16 HD2 TYR 16 19.592 -0.386 -6.873
90 HE1 TYR 16 HE1 TYR 16 22.811 -3.589 -4.881
91 HE2 TYR 16 HE2 TYR 16 20.302 -2.389 -8.153
92 HH TYR 16 HH TYR 16 22.943 -4.167 -7.465
93 H LYS 17 HN LYS 17 19.444 1.864 -6.081
94 HA LYS 17 HA LYS 17 21.177 2.583 -8.366
95 HB2 LYS 17 HB2 LYS 17 19.181 0.648 -8.212
96 HB3 LYS 17 HB1 LYS 17 18.412 1.996 -9.048
97 HG2 LYS 17 HG2 LYS 17 20.200 2.073 -10.685
98 HG3 LYS 17 HG1 LYS 17 21.113 0.849 -9.804
99 HD2 LYS 17 HD2 LYS 17 18.342 0.370 -10.930
100 HD3 LYS 17 HD1 LYS 17 19.825 -0.036 -11.795
101 HE2 LYS 17 HE2 LYS 17 20.515 -1.418 -9.802
102 HE3 LYS 17 HE1 LYS 17 18.910 -1.138 -9.125
103 HZ1 LYS 17 HZ1 LYS 17 18.758 -1.991 -11.833
104 HZ2 LYS 17 HZ2 LYS 17 18.048 -2.673 -10.448
105 HZ3 LYS 17 HZ3 LYS 17 19.627 -3.109 -10.899
106 H CYS 18 HN CYS 18 21.050 4.703 -6.976
107 HA CYS 18 HA CYS 18 19.225 6.454 -8.395
108 HB2 CYS 18 HB2 CYS 18 19.143 6.797 -5.439
109 HB3 CYS 18 HB1 CYS 18 17.922 7.172 -6.655
110 H DBB 19 HN DBB 19 20.048 8.488 -8.621
111 HA DBB 19 HA DBB 19 21.435 10.318 -8.260
112 HB2 DBB 19 HB2 DBB 19 23.540 8.145 -8.253
113 HG1 DBB 19 HG1 DBB 19 23.515 11.066 -8.470
114 HG2 DBB 19 HG2 DBB 19 24.355 10.289 -9.812
115 HG3 DBB 19 HG3 DBB 19 24.865 9.977 -8.153
116 H LYS 20 HN LYS 20 20.502 8.786 -5.806
117 HA LYS 20 HA LYS 20 22.597 9.778 -3.964
118 HB2 LYS 20 HB2 LYS 20 19.597 9.658 -3.562
119 HB3 LYS 20 HB1 LYS 20 20.766 10.183 -2.350
120 HG2 LYS 20 HG2 LYS 20 20.416 11.469 -5.074
121 HG3 LYS 20 HG1 LYS 20 19.739 12.100 -3.572
122 HD2 LYS 20 HD2 LYS 20 22.007 12.290 -2.623
123 HD3 LYS 20 HD1 LYS 20 22.688 11.658 -4.122
124 HE2 LYS 20 HE2 LYS 20 21.755 13.568 -5.365
125 HE3 LYS 20 HE1 LYS 20 21.051 14.199 -3.877
126 HZ1 LYS 20 HZ1 LYS 20 23.226 14.465 -2.948
127 HZ2 LYS 20 HZ2 LYS 20 23.193 15.233 -4.463
128 HZ3 LYS 20 HZ3 LYS 20 23.951 13.723 -4.289
129 H GLY 21 HN GLY 21 23.609 8.211 -2.893
130 HA2 GLY 21 HA2 GLY 21 22.167 6.063 -1.627
131 HA3 GLY 21 HA1 GLY 21 23.149 5.516 -2.983
132 H ARG 22 HN ARG 22 23.163 6.727 0.265
133 HA ARG 22 HA ARG 22 25.919 7.279 0.556
134 HB2 ARG 22 HB2 ARG 22 24.188 7.981 2.183
135 HB3 ARG 22 HB1 ARG 22 23.970 6.295 2.652
136 HG2 ARG 22 HG2 ARG 22 26.331 6.169 3.340
137 HG3 ARG 22 HG1 ARG 22 26.565 7.850 2.859
138 HD2 ARG 22 HD2 ARG 22 26.190 7.748 5.268
139 HD3 ARG 22 HD1 ARG 22 24.816 8.530 4.493
140 HE ARG 22 HE ARG 22 23.491 6.677 5.044
141 HH11 ARG 22 HH11 ARG 22 26.848 6.126 5.696
142 HH12 ARG 22 HH12 ARG 22 26.572 4.689 6.621
143 HH21 ARG 22 HH21 ARG 22 23.126 4.798 6.262
144 HH22 ARG 22 HH22 ARG 22 24.466 3.937 6.942
145 H GLY 23 HN GLY 23 24.026 4.318 1.049
146 HA2 GLY 23 HA2 GLY 23 25.978 2.675 2.154
147 HA3 GLY 23 HA1 GLY 23 24.661 2.108 1.132
148 HA PRO 24 HA PRO 24 28.151 0.633 -1.309
149 HB2 PRO 24 HB2 PRO 24 25.892 0.021 -3.157
150 HB3 PRO 24 HB1 PRO 24 27.195 -1.035 -2.577
151 HG2 PRO 24 HG2 PRO 24 24.709 -1.246 -1.644
152 HG3 PRO 24 HG1 PRO 24 26.121 -1.503 -0.605
153 HD2 PRO 24 HD2 PRO 24 24.259 0.832 -0.708
154 HD3 PRO 24 HD1 PRO 24 25.144 0.153 0.676
155 H GLY 25 HN GLY 25 25.461 2.572 -2.582
156 HA2 GLY 25 HA2 GLY 25 26.067 4.752 -3.575
157 HA3 GLY 25 HA1 GLY 25 27.378 3.913 -4.399
158 H GLY 26 HN GLY 26 26.766 4.298 -6.494
159 HA2 GLY 26 HA2 GLY 26 25.746 3.523 -8.459
160 HA3 GLY 26 HA1 GLY 26 24.508 2.740 -7.480
161 H CYS 27 HN CYS 27 23.893 4.252 -9.769
162 HA CYS 27 HA CYS 27 22.500 6.551 -8.544
163 HB2 CYS 27 HB2 CYS 27 24.416 7.058 -10.216
164 HB3 CYS 27 HB1 CYS 27 23.275 6.510 -11.445
165 H TYR 28 HN TYR 28 20.576 7.239 -9.943
166 HA TYR 28 HA TYR 28 18.483 5.664 -9.900
167 HB2 TYR 28 HB2 TYR 28 17.649 6.635 -12.054
168 HB3 TYR 28 HB1 TYR 28 18.287 7.832 -10.925
169 HD1 TYR 28 HD1 TYR 28 18.936 5.971 -14.048
170 HD2 TYR 28 HD2 TYR 28 20.355 9.009 -11.365
171 HE1 TYR 28 HE1 TYR 28 20.584 6.702 -15.748
172 HE2 TYR 28 HE2 TYR 28 22.003 9.740 -13.064
173 HH TYR 28 HH TYR 28 23.174 8.751 -15.033
Start of MODEL 3
1 H1 CYS 1 HT1 CYS 1 14.962 -9.706 -0.005
2 H2 CYS 1 HT2 CYS 1 14.305 -8.578 -1.091
3 H3 CYS 1 HT3 CYS 1 13.687 -8.702 0.487
4 HA CYS 1 HA CYS 1 15.245 -7.383 1.348
5 HB2 CYS 1 HB2 CYS 1 16.821 -9.403 0.711
6 HB3 CYS 1 HB1 CYS 1 17.398 -8.291 -0.525
7 H CYS 2 HN CYS 2 14.352 -5.523 0.591
8 HA CYS 2 HA CYS 2 14.177 -4.549 -1.973
9 HB2 CYS 2 HB2 CYS 2 13.154 -3.440 -0.029
10 HB3 CYS 2 HB1 CYS 2 14.752 -2.945 0.532
11 H ILE 3 HN ILE 3 16.567 -3.128 0.223
12 HA ILE 3 HA ILE 3 18.379 -2.718 -2.031
13 HB ILE 3 HB ILE 3 18.781 -1.855 0.834
14 HG12 ILE 3 HG12 ILE 3 17.890 0.380 -0.367
15 HG13 ILE 3 HG11 ILE 3 16.985 -0.809 -1.306
16 HG21 ILE 3 HG21 ILE 3 20.780 -1.553 -0.385
17 HG22 ILE 3 HG22 ILE 3 19.989 0.019 -0.501
18 HG23 ILE 3 HG23 ILE 3 19.918 -1.106 -1.858
19 HD11 ILE 3 HD11 ILE 3 16.848 -1.591 1.434
20 HD12 ILE 3 HD12 ILE 3 15.534 -1.042 0.394
21 HD13 ILE 3 HD13 ILE 3 16.450 0.124 1.347
22 H DBB 4 HN DBB 4 18.223 -4.396 1.061
23 HA DBB 4 HA DBB 4 20.846 -5.620 0.569
24 HB2 DBB 4 HB2 DBB 4 18.923 -7.007 -0.427
25 HG1 DBB 4 HG1 DBB 4 20.795 -8.176 1.649
26 HG2 DBB 4 HG2 DBB 4 21.170 -7.888 -0.050
27 HG3 DBB 4 HG3 DBB 4 19.971 -9.104 0.396
28 H GLY 5 HN GLY 5 18.402 -4.522 2.716
29 HA2 GLY 5 HA2 GLY 5 18.219 -4.487 5.016
30 HA3 GLY 5 HA1 GLY 5 19.287 -5.886 5.070
31 H GLU 6 HN GLU 6 20.353 -3.087 3.339
32 HA GLU 6 HA GLU 6 21.989 -2.218 5.633
33 HB2 GLU 6 HB2 GLU 6 22.983 -2.878 2.854
34 HB3 GLU 6 HB1 GLU 6 23.925 -1.983 4.047
35 HG2 GLU 6 HG2 GLU 6 23.805 -3.863 5.604
36 HG3 GLU 6 HG1 GLU 6 22.777 -4.755 4.483
37 H SER 7 HN SER 7 19.608 -1.268 3.884
38 HA SER 7 HA SER 7 20.652 1.465 3.546
39 HB2 SER 7 HB2 SER 7 20.266 1.470 1.340
40 HB3 SER 7 HB1 SER 7 19.890 -0.248 1.431
41 HG SER 7 HG SER 7 18.252 1.651 0.808
42 HA PRO 8 HA PRO 8 17.070 3.175 5.415
43 HB2 PRO 8 HB2 PRO 8 15.983 4.136 2.811
44 HB3 PRO 8 HB1 PRO 8 16.340 5.049 4.291
45 HG2 PRO 8 HG2 PRO 8 17.911 5.199 2.143
46 HG3 PRO 8 HG1 PRO 8 18.567 5.257 3.787
47 HD2 PRO 8 HD2 PRO 8 18.655 3.025 1.804
48 HD3 PRO 8 HD1 PRO 8 19.825 3.461 3.069
49 H GLY 9 HN GLY 9 16.283 1.594 2.334
50 HA2 GLY 9 HA2 GLY 9 14.791 -0.479 2.962
51 HA3 GLY 9 HA1 GLY 9 13.645 0.804 3.340
52 H DAL 10 HN DAL 10 12.311 -0.187 1.662
53 HA DAL 10 HA DAL 10 11.372 0.571 -0.421
54 HB1 DAL 10 HB2 DAL 10 11.776 -1.255 -1.888
55 HB2 DAL 10 HB3 DAL 10 11.980 -1.911 -0.266
56 H ALA 11 HN ALA 11 12.958 2.628 -0.040
57 HA ALA 11 HA ALA 11 13.881 4.302 -1.359
58 HB1 ALA 11 HB1 ALA 11 15.886 2.094 -1.076
59 HB2 ALA 11 HB2 ALA 11 15.884 3.704 -0.356
60 HB3 ALA 11 HB3 ALA 11 16.288 3.501 -2.060
61 HA PRO 12 HA PRO 12 12.550 2.297 -5.372
62 HB2 PRO 12 HB2 PRO 12 11.001 4.505 -6.051
63 HB3 PRO 12 HB1 PRO 12 10.395 3.049 -5.240
64 HG2 PRO 12 HG2 PRO 12 11.142 5.685 -4.086
65 HG3 PRO 12 HG1 PRO 12 9.826 4.585 -3.641
66 HD2 PRO 12 HD2 PRO 12 12.086 4.763 -2.158
67 HD3 PRO 12 HD1 PRO 12 11.208 3.230 -2.349
68 H DBB 13 HN DBB 13 14.028 5.241 -4.364
69 HA DBB 13 HA DBB 13 14.587 6.758 -6.509
70 HB2 DBB 13 HB2 DBB 13 15.173 4.980 -7.951
71 HG1 DBB 13 HG1 DBB 13 15.372 3.103 -6.557
72 HG2 DBB 13 HG2 DBB 13 16.568 3.882 -5.525
73 HG3 DBB 13 HG3 DBB 13 17.019 3.332 -7.139
74 H ASN 14 HN ASN 14 15.612 5.148 -3.695
75 HA ASN 14 HA ASN 14 17.685 7.202 -3.214
76 HB2 ASN 14 HB2 ASN 14 15.615 7.479 -1.849
77 HB3 ASN 14 HB1 ASN 14 15.896 5.879 -1.164
78 HD21 ASN 14 HD21 ASN 14 15.886 7.787 0.736
79 HD22 ASN 14 HD22 ASN 14 17.461 8.217 1.220
80 H ASP 15 HN ASP 15 17.588 4.204 -4.143
81 HA ASP 15 HA ASP 15 19.740 3.328 -2.313
82 HB2 ASP 15 HB2 ASP 15 18.943 1.038 -2.473
83 HB3 ASP 15 HB1 ASP 15 17.639 2.070 -1.889
84 H TYR 16 HN TYR 16 19.720 0.816 -4.058
85 HA TYR 16 HA TYR 16 21.938 1.115 -5.543
86 HB2 TYR 16 HB2 TYR 16 21.174 -0.684 -6.991
87 HB3 TYR 16 HB1 TYR 16 20.648 -0.998 -5.337
88 HD1 TYR 16 HD1 TYR 16 19.576 -0.017 -8.720
89 HD2 TYR 16 HD2 TYR 16 18.300 -0.791 -4.692
90 HE1 TYR 16 HE1 TYR 16 17.217 -0.097 -9.482
91 HE2 TYR 16 HE2 TYR 16 15.940 -0.872 -5.455
92 HH TYR 16 HH TYR 16 14.885 0.335 -8.282
93 H LYS 17 HN LYS 17 22.598 1.975 -7.449
94 HA LYS 17 HA LYS 17 22.620 3.496 -9.176
95 HB2 LYS 17 HB2 LYS 17 20.021 2.032 -9.676
96 HB3 LYS 17 HB1 LYS 17 20.741 3.162 -10.824
97 HG2 LYS 17 HG2 LYS 17 22.797 1.807 -10.888
98 HG3 LYS 17 HG1 LYS 17 22.094 0.678 -9.728
99 HD2 LYS 17 HD2 LYS 17 20.281 0.164 -11.318
100 HD3 LYS 17 HD1 LYS 17 20.977 1.295 -12.480
101 HE2 LYS 17 HE2 LYS 17 23.049 -0.039 -12.549
102 HE3 LYS 17 HE1 LYS 17 22.364 -1.169 -11.381
103 HZ1 LYS 17 HZ1 LYS 17 21.046 -0.556 -13.960
104 HZ2 LYS 17 HZ2 LYS 17 20.732 -1.847 -12.902
105 HZ3 LYS 17 HZ3 LYS 17 22.177 -1.809 -13.793
106 H CYS 18 HN CYS 18 20.991 4.076 -6.576
107 HA CYS 18 HA CYS 18 19.843 6.590 -7.593
108 HB2 CYS 18 HB2 CYS 18 18.424 4.392 -6.319
109 HB3 CYS 18 HB1 CYS 18 18.218 5.911 -5.456
110 H DBB 19 HN DBB 19 21.669 4.860 -5.292
111 HA DBB 19 HA DBB 19 23.056 6.848 -4.147
112 HB2 DBB 19 HB2 DBB 19 22.877 4.238 -3.599
113 HG1 DBB 19 HG1 DBB 19 21.801 3.700 -1.614
114 HG2 DBB 19 HG2 DBB 19 20.705 4.926 -2.250
115 HG3 DBB 19 HG3 DBB 19 21.878 5.353 -1.005
116 H LYS 20 HN LYS 20 22.834 8.408 -2.584
117 HA LYS 20 HA LYS 20 21.739 10.004 -1.341
118 HB2 LYS 20 HB2 LYS 20 19.340 8.810 -2.745
119 HB3 LYS 20 HB1 LYS 20 19.255 10.222 -1.690
120 HG2 LYS 20 HG2 LYS 20 20.906 11.383 -3.126
121 HG3 LYS 20 HG1 LYS 20 20.949 9.980 -4.194
122 HD2 LYS 20 HD2 LYS 20 18.411 11.503 -3.548
123 HD3 LYS 20 HD1 LYS 20 19.409 11.835 -4.964
124 HE2 LYS 20 HE2 LYS 20 19.165 9.407 -5.606
125 HE3 LYS 20 HE1 LYS 20 17.996 9.241 -4.296
126 HZ1 LYS 20 HZ1 LYS 20 16.442 10.388 -5.417
127 HZ2 LYS 20 HZ2 LYS 20 17.344 9.934 -6.783
128 HZ3 LYS 20 HZ3 LYS 20 17.556 11.472 -6.095
129 H GLY 21 HN GLY 21 22.091 7.076 -0.522
130 HA2 GLY 21 HA2 GLY 21 20.434 7.270 1.909
131 HA3 GLY 21 HA1 GLY 21 20.438 5.770 0.988
132 H ARG 22 HN ARG 22 21.209 4.975 3.158
133 HA ARG 22 HA ARG 22 24.137 5.319 3.418
134 HB2 ARG 22 HB2 ARG 22 22.950 6.103 5.400
135 HB3 ARG 22 HB1 ARG 22 22.094 4.565 5.523
136 HG2 ARG 22 HG2 ARG 22 23.931 4.456 7.067
137 HG3 ARG 22 HG1 ARG 22 24.362 3.438 5.692
138 HD2 ARG 22 HD2 ARG 22 25.662 5.315 4.730
139 HD3 ARG 22 HD1 ARG 22 25.258 6.302 6.133
140 HE ARG 22 HE ARG 22 26.461 3.860 6.962
141 HH11 ARG 22 HH11 ARG 22 27.123 6.907 5.462
142 HH12 ARG 22 HH12 ARG 22 28.768 6.970 6.001
143 HH21 ARG 22 HH21 ARG 22 28.618 3.935 7.670
144 HH22 ARG 22 HH22 ARG 22 29.616 5.289 7.250
145 H GLY 23 HN GLY 23 25.397 3.572 3.171
146 HA2 GLY 23 HA2 GLY 23 25.622 1.135 3.742
147 HA3 GLY 23 HA1 GLY 23 24.065 0.937 2.944
148 HA PRO 24 HA PRO 24 27.756 0.864 -0.093
149 HB2 PRO 24 HB2 PRO 24 28.364 -1.794 -0.152
150 HB3 PRO 24 HB1 PRO 24 29.144 -0.646 0.953
151 HG2 PRO 24 HG2 PRO 24 26.961 -2.597 1.480
152 HG3 PRO 24 HG1 PRO 24 28.331 -2.127 2.501
153 HD2 PRO 24 HD2 PRO 24 25.775 -1.163 2.846
154 HD3 PRO 24 HD1 PRO 24 27.235 -0.286 3.354
155 H GLY 25 HN GLY 25 27.610 0.104 -2.263
156 HA2 GLY 25 HA2 GLY 25 26.526 -1.457 -3.853
157 HA3 GLY 25 HA1 GLY 25 25.046 -1.219 -2.929
158 H GLY 26 HN GLY 26 24.910 -0.778 -5.586
159 HA2 GLY 26 HA2 GLY 26 25.479 1.401 -6.950
160 HA3 GLY 26 HA1 GLY 26 23.797 0.897 -6.820
161 H CYS 27 HN CYS 27 26.237 3.104 -5.635
162 HA CYS 27 HA CYS 27 24.132 4.940 -4.784
163 HB2 CYS 27 HB2 CYS 27 25.079 3.385 -2.842
164 HB3 CYS 27 HB1 CYS 27 26.379 4.576 -2.855
165 H TYR 28 HN TYR 28 24.873 7.123 -4.533
166 HA TYR 28 HA TYR 28 27.614 7.748 -5.286
167 HB2 TYR 28 HB2 TYR 28 25.397 8.875 -6.986
168 HB3 TYR 28 HB1 TYR 28 27.133 8.889 -7.294
169 HD1 TYR 28 HD1 TYR 28 24.091 6.792 -7.230
170 HD2 TYR 28 HD2 TYR 28 28.270 6.956 -8.210
171 HE1 TYR 28 HE1 TYR 28 23.882 4.653 -8.467
172 HE2 TYR 28 HE2 TYR 28 28.061 4.815 -9.449
173 HH TYR 28 HH TYR 28 25.771 2.697 -9.084
Start of MODEL 4
1 H1 CYS 1 HT1 CYS 1 13.736 -9.354 0.796
2 H2 CYS 1 HT2 CYS 1 12.889 -8.834 2.174
3 H3 CYS 1 HT3 CYS 1 14.134 -9.980 2.321
4 HA CYS 1 HA CYS 1 14.601 -7.535 2.938
5 HB2 CYS 1 HB2 CYS 1 16.817 -8.087 2.753
6 HB3 CYS 1 HB1 CYS 1 16.160 -9.667 2.339
7 H CYS 2 HN CYS 2 14.245 -5.558 2.146
8 HA CYS 2 HA CYS 2 13.706 -5.159 -0.667
9 HB2 CYS 2 HB2 CYS 2 12.654 -3.966 1.441
10 HB3 CYS 2 HB1 CYS 2 14.034 -2.885 1.252
11 H ILE 3 HN ILE 3 15.078 -4.419 -2.179
12 HA ILE 3 HA ILE 3 17.009 -3.663 -3.170
13 HB ILE 3 HB ILE 3 16.726 -2.059 -0.728
14 HG12 ILE 3 HG12 ILE 3 17.187 -0.259 -2.284
15 HG13 ILE 3 HG11 ILE 3 17.823 -1.398 -3.472
16 HG21 ILE 3 HG21 ILE 3 19.474 -2.323 -1.991
17 HG22 ILE 3 HG22 ILE 3 19.043 -2.901 -0.382
18 HG23 ILE 3 HG23 ILE 3 19.015 -1.176 -0.733
19 HD11 ILE 3 HD11 ILE 3 15.753 -1.871 -4.239
20 HD12 ILE 3 HD12 ILE 3 15.170 -0.521 -3.266
21 HD13 ILE 3 HD13 ILE 3 15.151 -2.157 -2.607
22 H DBB 4 HN DBB 4 16.868 -5.805 -0.704
23 HA DBB 4 HA DBB 4 18.898 -7.437 -1.239
24 HB2 DBB 4 HB2 DBB 4 19.098 -7.835 1.294
25 HG1 DBB 4 HG1 DBB 4 17.974 -6.483 2.759
26 HG2 DBB 4 HG2 DBB 4 16.659 -6.176 1.624
27 HG3 DBB 4 HG3 DBB 4 18.175 -5.287 1.481
28 H GLY 5 HN GLY 5 19.221 -4.374 0.472
29 HA2 GLY 5 HA2 GLY 5 22.160 -4.696 0.450
30 HA3 GLY 5 HA1 GLY 5 21.397 -3.221 -0.135
31 H GLU 6 HN GLU 6 22.242 -1.827 1.375
32 HA GLU 6 HA GLU 6 21.666 -2.391 4.214
33 HB2 GLU 6 HB2 GLU 6 23.372 -0.773 4.756
34 HB3 GLU 6 HB1 GLU 6 24.034 -1.890 3.562
35 HG2 GLU 6 HG2 GLU 6 23.500 -0.271 1.767
36 HG3 GLU 6 HG1 GLU 6 22.880 0.851 2.976
37 H SER 7 HN SER 7 20.458 -0.704 1.609
38 HA SER 7 HA SER 7 19.783 1.813 2.308
39 HB2 SER 7 HB2 SER 7 17.920 1.649 0.921
40 HB3 SER 7 HB1 SER 7 18.922 0.320 0.351
41 HG SER 7 HG SER 7 16.632 -0.146 0.832
42 HA PRO 8 HA PRO 8 17.615 1.849 6.117
43 HB2 PRO 8 HB2 PRO 8 15.793 3.864 5.653
44 HB3 PRO 8 HB1 PRO 8 17.509 4.138 6.005
45 HG2 PRO 8 HG2 PRO 8 16.086 4.170 3.397
46 HG3 PRO 8 HG1 PRO 8 17.401 5.202 3.981
47 HD2 PRO 8 HD2 PRO 8 17.811 3.136 2.240
48 HD3 PRO 8 HD1 PRO 8 19.041 3.669 3.408
49 H GLY 9 HN GLY 9 15.902 1.350 3.145
50 HA2 GLY 9 HA2 GLY 9 14.236 -0.665 4.070
51 HA3 GLY 9 HA1 GLY 9 13.312 0.829 4.204
52 H DAL 10 HN DAL 10 11.955 -0.421 2.596
53 HA DAL 10 HA DAL 10 11.203 -0.772 0.445
54 HB1 DAL 10 HB2 DAL 10 14.101 -1.152 0.263
55 HB2 DAL 10 HB3 DAL 10 13.379 -0.587 -1.244
56 H ALA 11 HN ALA 11 13.976 1.444 0.067
57 HA ALA 11 HA ALA 11 12.083 3.462 -0.967
58 HB1 ALA 11 HB1 ALA 11 14.735 4.451 -0.294
59 HB2 ALA 11 HB2 ALA 11 13.945 3.686 1.085
60 HB3 ALA 11 HB3 ALA 11 13.154 5.019 0.243
61 HA PRO 12 HA PRO 12 14.598 1.783 -4.548
62 HB2 PRO 12 HB2 PRO 12 12.188 2.871 -5.897
63 HB3 PRO 12 HB1 PRO 12 12.990 1.308 -6.114
64 HG2 PRO 12 HG2 PRO 12 10.642 1.660 -4.773
65 HG3 PRO 12 HG1 PRO 12 11.756 0.313 -4.503
66 HD2 PRO 12 HD2 PRO 12 11.146 2.577 -2.741
67 HD3 PRO 12 HD1 PRO 12 11.985 1.058 -2.372
68 H DBB 13 HN DBB 13 15.982 3.049 -5.665
69 HA DBB 13 HA DBB 13 15.323 5.721 -6.530
70 HB2 DBB 13 HB2 DBB 13 17.245 5.601 -7.783
71 HG1 DBB 13 HG1 DBB 13 17.279 2.681 -7.071
72 HG2 DBB 13 HG2 DBB 13 17.442 3.437 -8.657
73 HG3 DBB 13 HG3 DBB 13 15.864 3.365 -7.869
74 H ASN 14 HN ASN 14 16.995 4.224 -3.868
75 HA ASN 14 HA ASN 14 18.106 6.764 -2.942
76 HB2 ASN 14 HB2 ASN 14 15.872 6.880 -2.048
77 HB3 ASN 14 HB1 ASN 14 15.976 5.224 -1.454
78 HD21 ASN 14 HD21 ASN 14 17.594 8.423 -1.072
79 HD22 ASN 14 HD22 ASN 14 18.012 8.176 0.559
80 H ASP 15 HN ASP 15 18.732 3.766 -3.641
81 HA ASP 15 HA ASP 15 20.627 3.442 -1.414
82 HB2 ASP 15 HB2 ASP 15 18.804 1.957 -0.847
83 HB3 ASP 15 HB1 ASP 15 18.789 1.289 -2.480
84 H TYR 16 HN TYR 16 19.629 2.290 -4.631
85 HA TYR 16 HA TYR 16 22.480 2.208 -5.378
86 HB2 TYR 16 HB2 TYR 16 22.173 0.104 -6.550
87 HB3 TYR 16 HB1 TYR 16 21.692 -0.102 -4.865
88 HD1 TYR 16 HD1 TYR 16 20.540 0.061 -8.341
89 HD2 TYR 16 HD2 TYR 16 19.309 -0.247 -4.238
90 HE1 TYR 16 HE1 TYR 16 18.277 -0.643 -9.073
91 HE2 TYR 16 HE2 TYR 16 17.046 -0.950 -4.969
92 HH TYR 16 HH TYR 16 16.351 -2.028 -8.004
93 H LYS 17 HN LYS 17 22.921 2.992 -7.370
94 HA LYS 17 HA LYS 17 22.613 4.052 -9.379
95 HB2 LYS 17 HB2 LYS 17 20.123 2.339 -9.331
96 HB3 LYS 17 HB1 LYS 17 20.594 3.329 -10.713
97 HG2 LYS 17 HG2 LYS 17 22.716 2.137 -10.895
98 HG3 LYS 17 HG1 LYS 17 22.346 1.202 -9.446
99 HD2 LYS 17 HD2 LYS 17 21.767 -0.231 -11.250
100 HD3 LYS 17 HD1 LYS 17 20.230 0.430 -10.689
101 HE2 LYS 17 HE2 LYS 17 20.193 2.050 -12.478
102 HE3 LYS 17 HE1 LYS 17 21.836 1.628 -12.961
103 HZ1 LYS 17 HZ1 LYS 17 19.423 -0.091 -13.126
104 HZ2 LYS 17 HZ2 LYS 17 21.003 -0.651 -13.404
105 HZ3 LYS 17 HZ3 LYS 17 20.328 0.533 -14.419
106 H CYS 18 HN CYS 18 21.616 5.246 -6.855
107 HA CYS 18 HA CYS 18 19.732 7.166 -8.071
108 HB2 CYS 18 HB2 CYS 18 19.515 6.766 -5.152
109 HB3 CYS 18 HB1 CYS 18 18.254 7.050 -6.350
110 H DBB 19 HN DBB 19 22.508 6.527 -6.122
111 HA DBB 19 HA DBB 19 23.407 9.234 -6.299
112 HB2 DBB 19 HB2 DBB 19 24.447 6.674 -5.192
113 HG1 DBB 19 HG1 DBB 19 26.293 7.836 -4.032
114 HG2 DBB 19 HG2 DBB 19 24.745 8.210 -3.276
115 HG3 DBB 19 HG3 DBB 19 25.513 9.386 -4.343
116 H LYS 20 HN LYS 20 21.036 7.985 -4.495
117 HA LYS 20 HA LYS 20 21.342 10.045 -2.427
118 HB2 LYS 20 HB2 LYS 20 18.975 8.369 -3.285
119 HB3 LYS 20 HB1 LYS 20 18.933 9.549 -1.973
120 HG2 LYS 20 HG2 LYS 20 19.585 11.331 -3.539
121 HG3 LYS 20 HG1 LYS 20 19.659 10.159 -4.855
122 HD2 LYS 20 HD2 LYS 20 17.249 9.646 -4.495
123 HD3 LYS 20 HD1 LYS 20 17.193 10.895 -3.251
124 HE2 LYS 20 HE2 LYS 20 18.022 11.396 -6.123
125 HE3 LYS 20 HE1 LYS 20 16.401 11.692 -5.495
126 HZ1 LYS 20 HZ1 LYS 20 17.145 13.677 -4.891
127 HZ2 LYS 20 HZ2 LYS 20 18.760 13.266 -5.221
128 HZ3 LYS 20 HZ3 LYS 20 18.081 12.905 -3.707
129 H GLY 21 HN GLY 21 21.912 6.780 -2.832
130 HA2 GLY 21 HA2 GLY 21 21.321 6.082 -0.036
131 HA3 GLY 21 HA1 GLY 21 21.742 4.951 -1.317
132 H ARG 22 HN ARG 22 22.925 5.215 1.338
133 HA ARG 22 HA ARG 22 25.441 6.507 1.233
134 HB2 ARG 22 HB2 ARG 22 24.400 4.214 2.904
135 HB3 ARG 22 HB1 ARG 22 26.002 4.916 3.127
136 HG2 ARG 22 HG2 ARG 22 25.006 7.121 3.535
137 HG3 ARG 22 HG1 ARG 22 23.395 6.460 3.256
138 HD2 ARG 22 HD2 ARG 22 25.274 5.457 5.409
139 HD3 ARG 22 HD1 ARG 22 24.017 6.659 5.690
140 HE ARG 22 HE ARG 22 22.830 4.426 4.463
141 HH11 ARG 22 HH11 ARG 22 24.425 5.339 7.396
142 HH12 ARG 22 HH12 ARG 22 23.574 4.192 8.377
143 HH21 ARG 22 HH21 ARG 22 21.713 2.918 5.743
144 HH22 ARG 22 HH22 ARG 22 22.040 2.822 7.441
145 H GLY 23 HN GLY 23 24.389 3.230 0.406
146 HA2 GLY 23 HA2 GLY 23 26.848 1.987 0.036
147 HA3 GLY 23 HA1 GLY 23 25.389 1.594 -0.868
148 HA PRO 24 HA PRO 24 28.267 4.712 -3.284
149 HB2 PRO 24 HB2 PRO 24 30.846 3.762 -3.238
150 HB3 PRO 24 HB1 PRO 24 30.233 5.014 -2.141
151 HG2 PRO 24 HG2 PRO 24 30.661 2.114 -1.653
152 HG3 PRO 24 HG1 PRO 24 30.917 3.494 -0.573
153 HD2 PRO 24 HD2 PRO 24 28.732 1.851 -0.398
154 HD3 PRO 24 HD1 PRO 24 28.704 3.559 0.091
155 H GLY 25 HN GLY 25 28.235 1.272 -3.032
156 HA2 GLY 25 HA2 GLY 25 29.393 0.522 -5.484
157 HA3 GLY 25 HA1 GLY 25 28.197 -0.416 -4.595
158 H GLY 26 HN GLY 26 26.094 1.510 -4.651
159 HA2 GLY 26 HA2 GLY 26 25.458 1.539 -7.544
160 HA3 GLY 26 HA1 GLY 26 24.271 1.153 -6.301
161 H CYS 27 HN CYS 27 25.574 3.600 -8.210
162 HA CYS 27 HA CYS 27 24.081 5.622 -6.677
163 HB2 CYS 27 HB2 CYS 27 26.531 5.812 -6.178
164 HB3 CYS 27 HB1 CYS 27 26.803 6.136 -7.889
165 H TYR 28 HN TYR 28 22.680 6.661 -7.915
166 HA TYR 28 HA TYR 28 21.442 6.811 -9.934
167 HB2 TYR 28 HB2 TYR 28 22.488 8.805 -11.153
168 HB3 TYR 28 HB1 TYR 28 22.072 9.031 -9.455
169 HD1 TYR 28 HD1 TYR 28 24.957 7.411 -11.228
170 HD2 TYR 28 HD2 TYR 28 23.651 10.342 -8.373
171 HE1 TYR 28 HE1 TYR 28 27.319 7.969 -10.722
172 HE2 TYR 28 HE2 TYR 28 26.015 10.902 -7.868
173 HH TYR 28 HH TYR 28 28.694 9.230 -9.531
Start of MODEL 5
1 H1 CYS 1 HT1 CYS 1 14.762 -8.774 2.742
2 H2 CYS 1 HT2 CYS 1 13.593 -7.575 2.457
3 H3 CYS 1 HT3 CYS 1 14.713 -7.390 3.721
4 HA CYS 1 HA CYS 1 15.976 -6.231 2.336
5 HB2 CYS 1 HB2 CYS 1 17.453 -7.960 2.001
6 HB3 CYS 1 HB1 CYS 1 16.198 -9.052 1.429
7 H CYS 2 HN CYS 2 14.473 -4.759 1.491
8 HA CYS 2 HA CYS 2 12.896 -5.445 -0.842
9 HB2 CYS 2 HB2 CYS 2 11.710 -3.569 -0.376
10 HB3 CYS 2 HB1 CYS 2 12.540 -3.649 1.177
11 H ILE 3 HN ILE 3 15.623 -3.282 -0.102
12 HA ILE 3 HA ILE 3 16.062 -2.850 -2.975
13 HB ILE 3 HB ILE 3 16.047 -0.929 -1.315
14 HG12 ILE 3 HG12 ILE 3 18.119 0.101 -2.301
15 HG13 ILE 3 HG11 ILE 3 18.528 -1.480 -2.970
16 HG21 ILE 3 HG21 ILE 3 17.994 -0.631 0.098
17 HG22 ILE 3 HG22 ILE 3 18.743 -2.090 -0.552
18 HG23 ILE 3 HG23 ILE 3 17.298 -2.214 0.453
19 HD11 ILE 3 HD11 ILE 3 17.215 0.212 -4.466
20 HD12 ILE 3 HD12 ILE 3 15.823 -0.273 -3.497
21 HD13 ILE 3 HD13 ILE 3 16.703 -1.475 -4.442
22 H DBB 4 HN DBB 4 16.975 -4.970 -0.599
23 HA DBB 4 HA DBB 4 18.892 -6.318 -2.108
24 HB2 DBB 4 HB2 DBB 4 19.423 -7.522 -0.036
25 HG1 DBB 4 HG1 DBB 4 17.560 -5.809 1.534
26 HG2 DBB 4 HG2 DBB 4 19.175 -5.183 1.231
27 HG3 DBB 4 HG3 DBB 4 18.970 -6.717 2.069
28 H GLY 5 HN GLY 5 19.223 -3.634 0.111
29 HA2 GLY 5 HA2 GLY 5 22.154 -3.691 -0.299
30 HA3 GLY 5 HA1 GLY 5 21.220 -2.201 -0.399
31 H GLU 6 HN GLU 6 22.323 -1.188 1.303
32 HA GLU 6 HA GLU 6 22.010 -2.421 3.966
33 HB2 GLU 6 HB2 GLU 6 23.839 -1.000 4.698
34 HB3 GLU 6 HB1 GLU 6 24.341 -1.888 3.259
35 HG2 GLU 6 HG2 GLU 6 23.807 0.069 1.858
36 HG3 GLU 6 HG1 GLU 6 23.297 0.959 3.291
37 H SER 7 HN SER 7 20.745 -0.108 1.922
38 HA SER 7 HA SER 7 19.686 1.423 4.207
39 HB2 SER 7 HB2 SER 7 20.111 2.426 1.387
40 HB3 SER 7 HB1 SER 7 19.495 3.363 2.746
41 HG SER 7 HG SER 7 21.642 2.440 3.700
42 HA PRO 8 HA PRO 8 16.272 -1.052 2.161
43 HB2 PRO 8 HB2 PRO 8 15.279 -0.697 4.947
44 HB3 PRO 8 HB1 PRO 8 15.274 -2.142 3.921
45 HG2 PRO 8 HG2 PRO 8 16.997 -1.846 5.944
46 HG3 PRO 8 HG1 PRO 8 17.431 -2.690 4.449
47 HD2 PRO 8 HD2 PRO 8 18.274 0.005 5.395
48 HD3 PRO 8 HD1 PRO 8 19.125 -1.139 4.333
49 H GLY 9 HN GLY 9 13.802 -0.332 3.663
50 HA2 GLY 9 HA2 GLY 9 12.251 1.398 3.858
51 HA3 GLY 9 HA1 GLY 9 13.497 2.535 3.346
52 H DAL 10 HN DAL 10 13.170 -0.235 1.379
53 HA DAL 10 HA DAL 10 11.183 0.890 -0.409
54 HB1 DAL 10 HB2 DAL 10 11.883 -1.135 -1.820
55 HB2 DAL 10 HB3 DAL 10 11.136 -1.473 -0.259
56 H ALA 11 HN ALA 11 13.824 2.253 0.139
57 HA ALA 11 HA ALA 11 14.899 3.795 -1.281
58 HB1 ALA 11 HB1 ALA 11 16.386 1.588 -2.489
59 HB2 ALA 11 HB2 ALA 11 16.224 1.444 -0.738
60 HB3 ALA 11 HB3 ALA 11 16.950 2.890 -1.441
61 HA PRO 12 HA PRO 12 12.437 2.461 -5.109
62 HB2 PRO 12 HB2 PRO 12 11.259 5.146 -4.736
63 HB3 PRO 12 HB1 PRO 12 10.454 3.591 -5.016
64 HG2 PRO 12 HG2 PRO 12 10.410 4.843 -2.639
65 HG3 PRO 12 HG1 PRO 12 10.370 3.081 -2.795
66 HD2 PRO 12 HD2 PRO 12 12.625 4.863 -1.978
67 HD3 PRO 12 HD1 PRO 12 12.234 3.214 -1.450
68 H DBB 13 HN DBB 13 14.695 4.699 -4.117
69 HA DBB 13 HA DBB 13 14.819 6.361 -6.462
70 HB2 DBB 13 HB2 DBB 13 16.548 5.392 -7.633
71 HG1 DBB 13 HG1 DBB 13 16.298 2.881 -7.580
72 HG2 DBB 13 HG2 DBB 13 14.776 3.753 -7.749
73 HG3 DBB 13 HG3 DBB 13 15.236 3.074 -6.185
74 H ASN 14 HN ASN 14 16.172 5.111 -3.504
75 HA ASN 14 HA ASN 14 17.581 7.680 -3.095
76 HB2 ASN 14 HB2 ASN 14 15.560 7.390 -1.679
77 HB3 ASN 14 HB1 ASN 14 16.272 5.923 -1.006
78 HD21 ASN 14 HD21 ASN 14 16.881 6.514 1.096
79 HD22 ASN 14 HD22 ASN 14 17.827 7.878 1.472
80 H ASP 15 HN ASP 15 17.898 4.326 -3.357
81 HA ASP 15 HA ASP 15 20.704 4.457 -2.640
82 HB2 ASP 15 HB2 ASP 15 18.763 2.732 -1.083
83 HB3 ASP 15 HB1 ASP 15 20.515 2.534 -1.044
84 H TYR 16 HN TYR 16 21.747 2.262 -2.985
85 HA TYR 16 HA TYR 16 22.082 0.338 -4.222
86 HB2 TYR 16 HB2 TYR 16 19.724 -0.249 -3.683
87 HB3 TYR 16 HB1 TYR 16 19.205 0.652 -5.106
88 HD1 TYR 16 HD1 TYR 16 21.104 -2.298 -3.927
89 HD2 TYR 16 HD2 TYR 16 19.532 -0.203 -7.334
90 HE1 TYR 16 HE1 TYR 16 21.554 -4.277 -5.351
91 HE2 TYR 16 HE2 TYR 16 19.983 -2.183 -8.757
92 HH TYR 16 HH TYR 16 21.815 -4.913 -7.581
93 H LYS 17 HN LYS 17 19.675 1.737 -6.387
94 HA LYS 17 HA LYS 17 21.861 2.395 -8.265
95 HB2 LYS 17 HB2 LYS 17 20.220 0.430 -8.784
96 HB3 LYS 17 HB1 LYS 17 19.086 1.720 -9.185
97 HG2 LYS 17 HG2 LYS 17 20.631 2.634 -10.816
98 HG3 LYS 17 HG1 LYS 17 21.874 1.476 -10.346
99 HD2 LYS 17 HD2 LYS 17 20.423 -0.381 -11.079
100 HD3 LYS 17 HD1 LYS 17 19.181 0.777 -11.554
101 HE2 LYS 17 HE2 LYS 17 20.727 1.790 -13.176
102 HE3 LYS 17 HE1 LYS 17 21.987 0.655 -12.695
103 HZ1 LYS 17 HZ1 LYS 17 21.001 -0.259 -14.597
104 HZ2 LYS 17 HZ2 LYS 17 19.425 0.073 -14.057
105 HZ3 LYS 17 HZ3 LYS 17 20.345 -1.141 -13.305
106 H CYS 18 HN CYS 18 20.707 4.158 -6.268
107 HA CYS 18 HA CYS 18 19.435 6.140 -8.062
108 HB2 CYS 18 HB2 CYS 18 19.063 6.372 -5.121
109 HB3 CYS 18 HB1 CYS 18 17.957 6.763 -6.437
110 H DBB 19 HN DBB 19 20.131 8.279 -7.909
111 HA DBB 19 HA DBB 19 21.523 10.043 -7.391
112 HB2 DBB 19 HB2 DBB 19 23.566 7.806 -7.359
113 HG1 DBB 19 HG1 DBB 19 24.507 10.271 -8.455
114 HG2 DBB 19 HG2 DBB 19 25.073 9.442 -7.006
115 HG3 DBB 19 HG3 DBB 19 23.769 10.623 -6.893
116 H LYS 20 HN LYS 20 20.395 8.295 -5.129
117 HA LYS 20 HA LYS 20 22.166 9.381 -3.024
118 HB2 LYS 20 HB2 LYS 20 19.194 8.812 -3.013
119 HB3 LYS 20 HB1 LYS 20 20.116 9.275 -1.582
120 HG2 LYS 20 HG2 LYS 20 20.810 11.363 -2.700
121 HG3 LYS 20 HG1 LYS 20 19.888 10.903 -4.132
122 HD2 LYS 20 HD2 LYS 20 17.810 10.920 -2.835
123 HD3 LYS 20 HD1 LYS 20 18.708 11.301 -1.365
124 HE2 LYS 20 HE2 LYS 20 17.742 13.351 -2.291
125 HE3 LYS 20 HE1 LYS 20 19.500 13.408 -2.426
126 HZ1 LYS 20 HZ1 LYS 20 17.524 13.402 -4.486
127 HZ2 LYS 20 HZ2 LYS 20 18.677 12.177 -4.720
128 HZ3 LYS 20 HZ3 LYS 20 19.171 13.796 -4.574
129 H GLY 21 HN GLY 21 22.624 8.116 -1.194
130 HA2 GLY 21 HA2 GLY 21 22.075 5.963 -0.009
131 HA3 GLY 21 HA1 GLY 21 22.214 5.211 -1.595
132 H ARG 22 HN ARG 22 23.760 4.364 0.560
133 HA ARG 22 HA ARG 22 26.459 5.217 -0.296
134 HB2 ARG 22 HB2 ARG 22 25.482 4.623 2.504
135 HB3 ARG 22 HB1 ARG 22 27.184 4.776 2.068
136 HG2 ARG 22 HG2 ARG 22 26.794 7.061 1.259
137 HG3 ARG 22 HG1 ARG 22 25.078 6.915 1.641
138 HD2 ARG 22 HD2 ARG 22 25.654 6.557 4.022
139 HD3 ARG 22 HD1 ARG 22 27.360 6.753 3.630
140 HE ARG 22 HE ARG 22 25.356 8.862 3.771
141 HH11 ARG 22 HH11 ARG 22 28.490 7.831 2.720
142 HH12 ARG 22 HH12 ARG 22 29.130 9.436 2.609
143 HH21 ARG 22 HH21 ARG 22 26.190 10.966 3.627
144 HH22 ARG 22 HH22 ARG 22 27.827 11.210 3.122
145 H GLY 23 HN GLY 23 28.049 3.603 -0.331
146 HA2 GLY 23 HA2 GLY 23 28.656 1.280 0.321
147 HA3 GLY 23 HA1 GLY 23 27.016 0.834 -0.139
148 HA PRO 24 HA PRO 24 28.670 -0.432 -4.039
149 HB2 PRO 24 HB2 PRO 24 25.943 0.272 -5.022
150 HB3 PRO 24 HB1 PRO 24 26.839 -1.252 -5.167
151 HG2 PRO 24 HG2 PRO 24 24.814 -0.997 -3.462
152 HG3 PRO 24 HG1 PRO 24 26.250 -1.957 -3.062
153 HD2 PRO 24 HD2 PRO 24 25.468 0.762 -2.079
154 HD3 PRO 24 HD1 PRO 24 26.323 -0.544 -1.226
155 H GLY 25 HN GLY 25 26.794 2.551 -3.735
156 HA2 GLY 25 HA2 GLY 25 27.414 4.679 -4.490
157 HA3 GLY 25 HA1 GLY 25 28.692 3.943 -5.453
158 H GLY 26 HN GLY 26 25.751 2.332 -5.831
159 HA2 GLY 26 HA2 GLY 26 25.519 2.948 -8.576
160 HA3 GLY 26 HA1 GLY 26 24.291 2.146 -7.600
161 H CYS 27 HN CYS 27 24.013 4.213 -9.697
162 HA CYS 27 HA CYS 27 22.614 6.253 -8.073
163 HB2 CYS 27 HB2 CYS 27 24.697 7.042 -9.340
164 HB3 CYS 27 HB1 CYS 27 23.763 6.778 -10.812
165 H TYR 28 HN TYR 28 20.816 7.317 -9.290
166 HA TYR 28 HA TYR 28 18.676 5.964 -9.858
167 HB2 TYR 28 HB2 TYR 28 19.739 8.057 -11.770
168 HB3 TYR 28 HB1 TYR 28 18.066 7.502 -11.712
169 HD1 TYR 28 HD1 TYR 28 20.609 9.576 -10.128
170 HD2 TYR 28 HD2 TYR 28 16.683 7.893 -9.670
171 HE1 TYR 28 HE1 TYR 28 20.134 11.182 -8.298
172 HE2 TYR 28 HE2 TYR 28 16.210 9.497 -7.838
173 HH TYR 28 HH TYR 28 18.028 12.223 -7.267
Start of MODEL 6
1 H1 CYS 1 HT1 CYS 1 12.999 -7.991 2.810
2 H2 CYS 1 HT2 CYS 1 12.524 -6.362 2.929
3 H3 CYS 1 HT3 CYS 1 13.382 -7.095 4.200
4 HA CYS 1 HA CYS 1 14.942 -5.771 3.070
5 HB2 CYS 1 HB2 CYS 1 16.295 -7.561 3.394
6 HB3 CYS 1 HB1 CYS 1 15.041 -8.693 2.903
7 H CYS 2 HN CYS 2 14.425 -4.304 1.518
8 HA CYS 2 HA CYS 2 13.181 -4.955 -0.966
9 HB2 CYS 2 HB2 CYS 2 14.264 -2.557 0.348
10 HB3 CYS 2 HB1 CYS 2 14.417 -2.545 -1.410
11 H ILE 3 HN ILE 3 16.288 -3.287 -0.749
12 HA ILE 3 HA ILE 3 17.278 -4.418 -3.160
13 HB ILE 3 HB ILE 3 18.837 -3.101 -0.922
14 HG12 ILE 3 HG12 ILE 3 17.616 -1.872 -3.414
15 HG13 ILE 3 HG11 ILE 3 16.911 -1.750 -1.801
16 HG21 ILE 3 HG21 ILE 3 20.632 -3.134 -2.315
17 HG22 ILE 3 HG22 ILE 3 19.650 -2.779 -3.735
18 HG23 ILE 3 HG23 ILE 3 19.772 -4.434 -3.140
19 HD11 ILE 3 HD11 ILE 3 18.232 0.021 -1.392
20 HD12 ILE 3 HD12 ILE 3 19.020 -0.173 -2.957
21 HD13 ILE 3 HD13 ILE 3 19.640 -1.031 -1.545
22 H DBB 4 HN DBB 4 17.836 -5.111 0.271
23 HA DBB 4 HA DBB 4 18.764 -7.796 -0.454
24 HB2 DBB 4 HB2 DBB 4 18.562 -8.192 2.032
25 HG1 DBB 4 HG1 DBB 4 16.907 -5.748 2.297
26 HG2 DBB 4 HG2 DBB 4 18.649 -5.479 2.234
27 HG3 DBB 4 HG3 DBB 4 17.962 -6.527 3.475
28 H GLY 5 HN GLY 5 19.884 -4.787 0.870
29 HA2 GLY 5 HA2 GLY 5 22.533 -5.994 1.408
30 HA3 GLY 5 HA1 GLY 5 22.370 -4.504 0.484
31 H GLU 6 HN GLU 6 22.470 -2.637 1.574
32 HA GLU 6 HA GLU 6 22.152 -2.738 4.507
33 HB2 GLU 6 HB2 GLU 6 24.444 -2.205 3.744
34 HB3 GLU 6 HB1 GLU 6 23.810 -0.818 2.857
35 HG2 GLU 6 HG2 GLU 6 22.972 0.163 4.941
36 HG3 GLU 6 HG1 GLU 6 23.531 -1.245 5.840
37 H SER 7 HN SER 7 20.745 -1.656 1.684
38 HA SER 7 HA SER 7 19.871 0.930 2.262
39 HB2 SER 7 HB2 SER 7 19.232 0.417 0.139
40 HB3 SER 7 HB1 SER 7 18.964 -1.282 0.521
41 HG SER 7 HG SER 7 17.094 0.299 0.101
42 HA PRO 8 HA PRO 8 17.158 0.457 5.694
43 HB2 PRO 8 HB2 PRO 8 15.456 2.563 5.188
44 HB3 PRO 8 HB1 PRO 8 17.078 2.742 5.881
45 HG2 PRO 8 HG2 PRO 8 16.156 3.157 3.085
46 HG3 PRO 8 HG1 PRO 8 17.342 4.070 4.033
47 HD2 PRO 8 HD2 PRO 8 18.071 2.251 2.132
48 HD3 PRO 8 HD1 PRO 8 19.059 2.583 3.573
49 H GLY 9 HN GLY 9 15.993 0.431 2.427
50 HA2 GLY 9 HA2 GLY 9 14.293 -1.653 2.493
51 HA3 GLY 9 HA1 GLY 9 13.284 -0.353 3.120
52 H DAL 10 HN DAL 10 11.940 -0.679 1.225
53 HA DAL 10 HA DAL 10 11.210 0.505 -0.686
54 HB1 DAL 10 HB2 DAL 10 13.263 -1.047 -2.165
55 HB2 DAL 10 HB3 DAL 10 11.514 -0.978 -2.396
56 H ALA 11 HN ALA 11 12.962 2.232 0.535
57 HA ALA 11 HA ALA 11 13.992 4.211 -0.091
58 HB1 ALA 11 HB1 ALA 11 16.337 3.763 -0.884
59 HB2 ALA 11 HB2 ALA 11 15.913 2.054 -0.980
60 HB3 ALA 11 HB3 ALA 11 15.883 2.884 0.575
61 HA PRO 12 HA PRO 12 12.516 3.832 -4.533
62 HB2 PRO 12 HB2 PRO 12 11.038 6.191 -4.284
63 HB3 PRO 12 HB1 PRO 12 10.389 4.548 -4.140
64 HG2 PRO 12 HG2 PRO 12 11.136 6.480 -2.019
65 HG3 PRO 12 HG1 PRO 12 9.838 5.274 -2.048
66 HD2 PRO 12 HD2 PRO 12 12.124 4.903 -0.630
67 HD3 PRO 12 HD1 PRO 12 11.240 3.551 -1.372
68 H DBB 13 HN DBB 13 13.846 4.649 -6.037
69 HA DBB 13 HA DBB 13 14.482 7.202 -6.663
70 HB2 DBB 13 HB2 DBB 13 16.353 6.392 -7.840
71 HG1 DBB 13 HG1 DBB 13 15.378 4.681 -8.984
72 HG2 DBB 13 HG2 DBB 13 14.031 4.930 -7.873
73 HG3 DBB 13 HG3 DBB 13 15.230 3.680 -7.540
74 H ASN 14 HN ASN 14 15.538 5.400 -3.925
75 HA ASN 14 HA ASN 14 16.953 7.767 -2.897
76 HB2 ASN 14 HB2 ASN 14 15.127 7.060 -1.494
77 HB3 ASN 14 HB1 ASN 14 15.695 5.391 -1.504
78 HD21 ASN 14 HD21 ASN 14 16.488 4.994 0.577
79 HD22 ASN 14 HD22 ASN 14 17.549 6.026 1.420
80 H ASP 15 HN ASP 15 17.240 4.263 -3.325
81 HA ASP 15 HA ASP 15 20.157 4.542 -3.166
82 HB2 ASP 15 HB2 ASP 15 18.435 2.776 -1.438
83 HB3 ASP 15 HB1 ASP 15 20.089 2.309 -1.831
84 H TYR 16 HN TYR 16 21.293 3.076 -4.409
85 HA TYR 16 HA TYR 16 21.630 1.256 -5.827
86 HB2 TYR 16 HB2 TYR 16 19.635 0.183 -4.679
87 HB3 TYR 16 HB1 TYR 16 18.635 0.898 -5.943
88 HD1 TYR 16 HD1 TYR 16 22.102 -0.219 -6.535
89 HD2 TYR 16 HD2 TYR 16 17.941 -1.214 -6.923
90 HE1 TYR 16 HE1 TYR 16 22.688 -2.082 -8.058
91 HE2 TYR 16 HE2 TYR 16 18.529 -3.078 -8.448
92 HH TYR 16 HH TYR 16 20.174 -4.231 -9.390
93 H LYS 17 HN LYS 17 22.360 2.864 -7.280
94 HA LYS 17 HA LYS 17 22.425 3.845 -9.358
95 HB2 LYS 17 HB2 LYS 17 19.827 2.333 -9.715
96 HB3 LYS 17 HB1 LYS 17 20.665 3.199 -11.005
97 HG2 LYS 17 HG2 LYS 17 22.669 1.797 -10.644
98 HG3 LYS 17 HG1 LYS 17 21.820 0.921 -9.371
99 HD2 LYS 17 HD2 LYS 17 20.116 0.191 -10.993
100 HD3 LYS 17 HD1 LYS 17 20.951 1.073 -12.272
101 HE2 LYS 17 HE2 LYS 17 22.954 -0.324 -11.933
102 HE3 LYS 17 HE1 LYS 17 22.125 -1.206 -10.652
103 HZ1 LYS 17 HZ1 LYS 17 21.356 -1.086 -13.516
104 HZ2 LYS 17 HZ2 LYS 17 20.414 -1.812 -12.301
105 HZ3 LYS 17 HZ3 LYS 17 21.950 -2.436 -12.676
106 H CYS 18 HN CYS 18 20.030 4.395 -7.060
107 HA CYS 18 HA CYS 18 18.421 6.330 -8.343
108 HB2 CYS 18 HB2 CYS 18 19.142 5.958 -5.425
109 HB3 CYS 18 HB1 CYS 18 17.912 7.073 -6.013
110 H DBB 19 HN DBB 19 21.521 6.490 -6.690
111 HA DBB 19 HA DBB 19 21.707 9.347 -7.439
112 HB2 DBB 19 HB2 DBB 19 24.268 8.026 -7.044
113 HG1 DBB 19 HG1 DBB 19 24.663 9.822 -8.357
114 HG2 DBB 19 HG2 DBB 19 22.957 9.971 -8.773
115 HG3 DBB 19 HG3 DBB 19 23.997 8.884 -9.694
116 H LYS 20 HN LYS 20 20.765 7.972 -4.953
117 HA LYS 20 HA LYS 20 22.554 9.383 -3.088
118 HB2 LYS 20 HB2 LYS 20 20.167 10.115 -3.202
119 HB3 LYS 20 HB1 LYS 20 19.692 8.511 -2.653
120 HG2 LYS 20 HG2 LYS 20 19.788 9.976 -0.722
121 HG3 LYS 20 HG1 LYS 20 21.138 8.844 -0.627
122 HD2 LYS 20 HD2 LYS 20 22.605 10.569 -1.676
123 HD3 LYS 20 HD1 LYS 20 21.255 11.702 -1.624
124 HE2 LYS 20 HE2 LYS 20 22.455 10.319 0.793
125 HE3 LYS 20 HE1 LYS 20 22.774 11.988 0.322
126 HZ1 LYS 20 HZ1 LYS 20 20.566 10.930 1.744
127 HZ2 LYS 20 HZ2 LYS 20 20.030 11.702 0.330
128 HZ3 LYS 20 HZ3 LYS 20 20.975 12.551 1.458
129 H GLY 21 HN GLY 21 21.901 6.329 -4.183
130 HA2 GLY 21 HA2 GLY 21 21.728 4.751 -1.868
131 HA3 GLY 21 HA1 GLY 21 22.397 4.220 -3.407
132 H ARG 22 HN ARG 22 23.188 4.012 -0.419
133 HA ARG 22 HA ARG 22 26.040 4.605 -0.883
134 HB2 ARG 22 HB2 ARG 22 25.079 6.352 0.582
135 HB3 ARG 22 HB1 ARG 22 24.555 5.098 1.708
136 HG2 ARG 22 HG2 ARG 22 26.901 4.369 1.983
137 HG3 ARG 22 HG1 ARG 22 27.420 5.645 0.881
138 HD2 ARG 22 HD2 ARG 22 26.372 7.322 2.422
139 HD3 ARG 22 HD1 ARG 22 26.044 6.013 3.553
140 HE ARG 22 HE ARG 22 28.642 7.195 2.971
141 HH11 ARG 22 HH11 ARG 22 26.823 4.570 4.306
142 HH12 ARG 22 HH12 ARG 22 28.096 4.036 5.349
143 HH21 ARG 22 HH21 ARG 22 30.316 6.500 4.339
144 HH22 ARG 22 HH22 ARG 22 30.075 5.129 5.368
145 H GLY 23 HN GLY 23 27.278 2.870 -0.594
146 HA2 GLY 23 HA2 GLY 23 28.013 1.083 0.908
147 HA3 GLY 23 HA1 GLY 23 26.314 0.726 1.207
148 HA PRO 24 HA PRO 24 26.277 -2.137 -2.116
149 HB2 PRO 24 HB2 PRO 24 23.874 -1.700 -3.334
150 HB3 PRO 24 HB1 PRO 24 24.030 -2.447 -1.732
151 HG2 PRO 24 HG2 PRO 24 23.286 0.333 -2.460
152 HG3 PRO 24 HG1 PRO 24 22.682 -0.695 -1.151
153 HD2 PRO 24 HD2 PRO 24 24.545 1.314 -0.796
154 HD3 PRO 24 HD1 PRO 24 24.379 -0.087 0.282
155 H GLY 25 HN GLY 25 26.356 -2.459 -4.443
156 HA2 GLY 25 HA2 GLY 25 27.811 -0.521 -5.838
157 HA3 GLY 25 HA1 GLY 25 26.998 -1.895 -6.580
158 H GLY 26 HN GLY 26 27.283 1.068 -7.282
159 HA2 GLY 26 HA2 GLY 26 25.217 1.589 -8.861
160 HA3 GLY 26 HA1 GLY 26 24.495 1.950 -7.294
161 H CYS 27 HN CYS 27 24.332 4.103 -8.508
162 HA CYS 27 HA CYS 27 26.777 5.649 -8.663
163 HB2 CYS 27 HB2 CYS 27 25.346 7.461 -9.422
164 HB3 CYS 27 HB1 CYS 27 24.905 5.978 -10.272
165 H TYR 28 HN TYR 28 27.531 7.069 -7.202
166 HA TYR 28 HA TYR 28 26.242 8.579 -5.340
167 HB2 TYR 28 HB2 TYR 28 26.627 7.114 -3.238
168 HB3 TYR 28 HB1 TYR 28 25.195 6.812 -4.221
169 HD1 TYR 28 HD1 TYR 28 28.759 5.741 -3.816
170 HD2 TYR 28 HD2 TYR 28 24.799 4.665 -5.093
171 HE1 TYR 28 HE1 TYR 28 29.512 3.409 -4.184
172 HE2 TYR 28 HE2 TYR 28 25.555 2.333 -5.463
173 HH TYR 28 HH TYR 28 28.588 1.413 -5.811
Start of MODEL 7
1 H1 CYS 1 HT1 CYS 1 13.553 -7.560 2.274
2 H2 CYS 1 HT2 CYS 1 13.273 -5.892 2.125
3 H3 CYS 1 HT3 CYS 1 13.796 -6.540 3.606
4 HA CYS 1 HA CYS 1 15.732 -5.635 2.756
5 HB2 CYS 1 HB2 CYS 1 15.505 -8.355 3.013
6 HB3 CYS 1 HB1 CYS 1 16.203 -8.200 1.409
7 H CYS 2 HN CYS 2 14.814 -4.160 1.162
8 HA CYS 2 HA CYS 2 14.351 -4.826 -1.534
9 HB2 CYS 2 HB2 CYS 2 15.043 -2.296 -0.086
10 HB3 CYS 2 HB1 CYS 2 15.083 -2.315 -1.848
11 H ILE 3 HN ILE 3 17.272 -3.686 0.130
12 HA ILE 3 HA ILE 3 18.859 -4.294 -2.272
13 HB ILE 3 HB ILE 3 19.529 -2.730 0.230
14 HG12 ILE 3 HG12 ILE 3 19.357 -1.849 -2.664
15 HG13 ILE 3 HG11 ILE 3 18.027 -1.682 -1.518
16 HG21 ILE 3 HG21 ILE 3 21.391 -4.152 -0.938
17 HG22 ILE 3 HG22 ILE 3 21.714 -2.458 -0.568
18 HG23 ILE 3 HG23 ILE 3 21.277 -2.935 -2.209
19 HD11 ILE 3 HD11 ILE 3 20.436 -0.059 -1.801
20 HD12 ILE 3 HD12 ILE 3 20.219 -0.640 -0.149
21 HD13 ILE 3 HD13 ILE 3 18.943 0.295 -0.930
22 H DBB 4 HN DBB 4 18.600 -4.994 1.183
23 HA DBB 4 HA DBB 4 20.530 -7.199 0.834
24 HB2 DBB 4 HB2 DBB 4 18.012 -7.845 0.786
25 HG1 DBB 4 HG1 DBB 4 19.961 -9.137 2.714
26 HG2 DBB 4 HG2 DBB 4 19.887 -9.427 0.976
27 HG3 DBB 4 HG3 DBB 4 18.545 -9.920 2.010
28 H GLY 5 HN GLY 5 18.695 -5.245 3.176
29 HA2 GLY 5 HA2 GLY 5 19.178 -4.660 5.361
30 HA3 GLY 5 HA1 GLY 5 20.435 -5.894 5.368
31 H GLU 6 HN GLU 6 20.443 -3.526 2.839
32 HA GLU 6 HA GLU 6 22.741 -2.196 4.132
33 HB2 GLU 6 HB2 GLU 6 22.217 -2.766 1.207
34 HB3 GLU 6 HB1 GLU 6 23.524 -1.736 1.794
35 HG2 GLU 6 HG2 GLU 6 23.118 -4.636 2.579
36 HG3 GLU 6 HG1 GLU 6 24.283 -4.069 1.383
37 H SER 7 HN SER 7 19.579 -1.823 3.234
38 HA SER 7 HA SER 7 19.857 1.092 3.254
39 HB2 SER 7 HB2 SER 7 18.773 -0.551 1.037
40 HB3 SER 7 HB1 SER 7 17.863 0.895 1.461
41 HG SER 7 HG SER 7 20.287 1.708 1.492
42 HA PRO 8 HA PRO 8 16.333 1.133 5.861
43 HB2 PRO 8 HB2 PRO 8 14.744 3.104 4.761
44 HB3 PRO 8 HB1 PRO 8 16.190 3.420 5.738
45 HG2 PRO 8 HG2 PRO 8 15.857 3.452 2.782
46 HG3 PRO 8 HG1 PRO 8 16.813 4.520 3.825
47 HD2 PRO 8 HD2 PRO 8 17.946 2.520 2.369
48 HD3 PRO 8 HD1 PRO 8 18.596 3.038 3.939
49 H GLY 9 HN GLY 9 15.825 0.675 2.459
50 HA2 GLY 9 HA2 GLY 9 14.252 -1.454 2.358
51 HA3 GLY 9 HA1 GLY 9 13.066 -0.228 2.797
52 H DAL 10 HN DAL 10 12.026 -0.719 0.756
53 HA DAL 10 HA DAL 10 11.471 0.364 -1.275
54 HB1 DAL 10 HB2 DAL 10 13.715 -1.015 -2.553
55 HB2 DAL 10 HB3 DAL 10 11.981 -1.255 -2.762
56 H ALA 11 HN ALA 11 12.409 2.487 -0.382
57 HA ALA 11 HA ALA 11 13.295 4.451 -1.349
58 HB1 ALA 11 HB1 ALA 11 15.961 4.030 -0.784
59 HB2 ALA 11 HB2 ALA 11 15.155 2.865 0.268
60 HB3 ALA 11 HB3 ALA 11 14.747 4.577 0.372
61 HA PRO 12 HA PRO 12 14.612 2.392 -5.340
62 HB2 PRO 12 HB2 PRO 12 13.240 4.338 -6.819
63 HB3 PRO 12 HB1 PRO 12 12.630 2.723 -6.417
64 HG2 PRO 12 HG2 PRO 12 12.061 5.335 -5.133
65 HG3 PRO 12 HG1 PRO 12 11.003 3.935 -5.371
66 HD2 PRO 12 HD2 PRO 12 12.091 4.506 -2.956
67 HD3 PRO 12 HD1 PRO 12 11.811 2.832 -3.488
68 H DBB 13 HN DBB 13 13.995 5.769 -6.035
69 HA DBB 13 HA DBB 13 15.407 7.443 -6.759
70 HB2 DBB 13 HB2 DBB 13 17.310 6.852 -7.876
71 HG1 DBB 13 HG1 DBB 13 15.412 5.066 -8.196
72 HG2 DBB 13 HG2 DBB 13 16.529 3.998 -7.350
73 HG3 DBB 13 HG3 DBB 13 17.012 4.755 -8.867
74 H ASN 14 HN ASN 14 15.646 5.765 -3.903
75 HA ASN 14 HA ASN 14 17.120 7.972 -2.650
76 HB2 ASN 14 HB2 ASN 14 14.868 7.432 -1.798
77 HB3 ASN 14 HB1 ASN 14 15.414 5.797 -1.417
78 HD21 ASN 14 HD21 ASN 14 14.963 6.274 0.907
79 HD22 ASN 14 HD22 ASN 14 16.057 7.221 1.803
80 H ASP 15 HN ASP 15 17.760 4.935 -3.830
81 HA ASP 15 HA ASP 15 20.212 4.752 -2.282
82 HB2 ASP 15 HB2 ASP 15 18.018 2.696 -2.097
83 HB3 ASP 15 HB1 ASP 15 19.705 2.279 -1.801
84 H TYR 16 HN TYR 16 18.571 2.111 -3.925
85 HA TYR 16 HA TYR 16 20.807 1.579 -5.605
86 HB2 TYR 16 HB2 TYR 16 19.106 -0.108 -4.792
87 HB3 TYR 16 HB1 TYR 16 17.989 0.560 -5.982
88 HD1 TYR 16 HD1 TYR 16 21.662 -0.219 -6.025
89 HD2 TYR 16 HD2 TYR 16 17.819 -0.837 -7.838
90 HE1 TYR 16 HE1 TYR 16 22.718 -1.603 -7.792
91 HE2 TYR 16 HE2 TYR 16 18.874 -2.222 -9.605
92 HH TYR 16 HH TYR 16 21.075 -2.512 -10.640
93 H LYS 17 HN LYS 17 21.239 2.162 -7.656
94 HA LYS 17 HA LYS 17 21.058 3.188 -9.701
95 HB2 LYS 17 HB2 LYS 17 18.116 2.976 -9.051
96 HB3 LYS 17 HB1 LYS 17 18.725 3.642 -10.566
97 HG2 LYS 17 HG2 LYS 17 19.921 1.544 -11.026
98 HG3 LYS 17 HG1 LYS 17 19.342 0.872 -9.500
99 HD2 LYS 17 HD2 LYS 17 17.012 1.100 -10.275
100 HD3 LYS 17 HD1 LYS 17 17.583 1.780 -11.799
101 HE2 LYS 17 HE2 LYS 17 18.803 -0.307 -12.282
102 HE3 LYS 17 HE1 LYS 17 18.246 -0.989 -10.754
103 HZ1 LYS 17 HZ1 LYS 17 16.112 0.067 -12.343
104 HZ2 LYS 17 HZ2 LYS 17 16.268 -1.461 -11.617
105 HZ3 LYS 17 HZ3 LYS 17 16.958 -1.168 -13.142
106 H CYS 18 HN CYS 18 21.038 4.623 -6.981
107 HA CYS 18 HA CYS 18 20.719 7.296 -8.129
108 HB2 CYS 18 HB2 CYS 18 19.713 7.463 -5.482
109 HB3 CYS 18 HB1 CYS 18 18.861 7.785 -6.990
110 H DBB 19 HN DBB 19 21.969 8.889 -7.080
111 HA DBB 19 HA DBB 19 23.820 9.685 -5.977
112 HB2 DBB 19 HB2 DBB 19 24.541 6.743 -5.928
113 HG1 DBB 19 HG1 DBB 19 26.901 7.976 -5.756
114 HG2 DBB 19 HG2 DBB 19 25.969 7.575 -4.312
115 HG3 DBB 19 HG3 DBB 19 25.923 9.213 -4.967
116 H LYS 20 HN LYS 20 21.452 7.926 -4.573
117 HA LYS 20 HA LYS 20 22.328 8.691 -1.889
118 HB2 LYS 20 HB2 LYS 20 19.668 7.733 -2.967
119 HB3 LYS 20 HB1 LYS 20 19.967 8.119 -1.272
120 HG2 LYS 20 HG2 LYS 20 20.621 10.413 -1.905
121 HG3 LYS 20 HG1 LYS 20 20.317 10.031 -3.599
122 HD2 LYS 20 HD2 LYS 20 17.958 9.583 -3.103
123 HD3 LYS 20 HD1 LYS 20 18.243 9.898 -1.392
124 HE2 LYS 20 HE2 LYS 20 17.289 11.889 -2.451
125 HE3 LYS 20 HE1 LYS 20 18.950 12.212 -1.957
126 HZ1 LYS 20 HZ1 LYS 20 18.952 11.120 -4.546
127 HZ2 LYS 20 HZ2 LYS 20 19.472 12.658 -4.045
128 HZ3 LYS 20 HZ3 LYS 20 17.855 12.412 -4.509
129 H GLY 21 HN GLY 21 22.506 6.004 -3.839
130 HA2 GLY 21 HA2 GLY 21 21.848 3.899 -2.051
131 HA3 GLY 21 HA1 GLY 21 22.889 3.763 -3.464
132 H ARG 22 HN ARG 22 22.805 4.688 -0.059
133 HA ARG 22 HA ARG 22 25.593 5.073 0.277
134 HB2 ARG 22 HB2 ARG 22 23.389 4.371 2.223
135 HB3 ARG 22 HB1 ARG 22 25.053 4.686 2.719
136 HG2 ARG 22 HG2 ARG 22 24.963 6.922 1.731
137 HG3 ARG 22 HG1 ARG 22 23.332 6.614 1.132
138 HD2 ARG 22 HD2 ARG 22 23.208 7.907 3.202
139 HD3 ARG 22 HD1 ARG 22 22.557 6.294 3.471
140 HE ARG 22 HE ARG 22 24.389 5.823 4.854
141 HH11 ARG 22 HH11 ARG 22 24.757 8.828 3.173
142 HH12 ARG 22 HH12 ARG 22 26.109 9.350 4.121
143 HH21 ARG 22 HH21 ARG 22 26.160 6.503 6.099
144 HH22 ARG 22 HH22 ARG 22 26.903 8.034 5.777
145 H GLY 23 HN GLY 23 23.504 2.239 0.531
146 HA2 GLY 23 HA2 GLY 23 25.207 0.423 1.754
147 HA3 GLY 23 HA1 GLY 23 23.993 -0.011 0.557
148 HA PRO 24 HA PRO 24 27.729 -1.590 -1.448
149 HB2 PRO 24 HB2 PRO 24 25.662 -2.181 -3.516
150 HB3 PRO 24 HB1 PRO 24 26.888 -3.249 -2.808
151 HG2 PRO 24 HG2 PRO 24 24.321 -3.434 -2.126
152 HG3 PRO 24 HG1 PRO 24 25.619 -3.699 -0.950
153 HD2 PRO 24 HD2 PRO 24 23.798 -1.349 -1.243
154 HD3 PRO 24 HD1 PRO 24 24.537 -2.029 0.223
155 H GLY 25 HN GLY 25 25.204 0.352 -3.029
156 HA2 GLY 25 HA2 GLY 25 26.538 2.508 -3.870
157 HA3 GLY 25 HA1 GLY 25 27.067 1.317 -5.054
158 H GLY 26 HN GLY 26 25.945 1.390 -6.884
159 HA2 GLY 26 HA2 GLY 26 24.157 1.448 -8.342
160 HA3 GLY 26 HA1 GLY 26 23.089 1.274 -6.953
161 H CYS 27 HN CYS 27 25.293 3.723 -8.339
162 HA CYS 27 HA CYS 27 23.649 5.873 -7.305
163 HB2 CYS 27 HB2 CYS 27 26.224 5.867 -7.542
164 HB3 CYS 27 HB1 CYS 27 25.921 6.218 -9.245
165 H TYR 28 HN TYR 28 22.394 7.256 -8.469
166 HA TYR 28 HA TYR 28 20.648 7.415 -10.049
167 HB2 TYR 28 HB2 TYR 28 21.615 8.509 -12.079
168 HB3 TYR 28 HB1 TYR 28 22.188 9.196 -10.559
169 HD1 TYR 28 HD1 TYR 28 23.070 7.011 -13.412
170 HD2 TYR 28 HD2 TYR 28 24.472 8.941 -9.842
171 HE1 TYR 28 HE1 TYR 28 25.409 6.506 -14.059
172 HE2 TYR 28 HE2 TYR 28 26.811 8.436 -10.486
173 HH TYR 28 HH TYR 28 28.028 6.846 -11.892
Start of MODEL 8
1 H1 CYS 1 HT1 CYS 1 14.075 -9.096 0.965
2 H2 CYS 1 HT2 CYS 1 15.561 -9.341 0.181
3 H3 CYS 1 HT3 CYS 1 14.205 -8.828 -0.704
4 HA CYS 1 HA CYS 1 14.794 -7.072 1.476
5 HB2 CYS 1 HB2 CYS 1 17.096 -7.752 1.041
6 HB3 CYS 1 HB1 CYS 1 16.869 -7.512 -0.691
7 H CYS 2 HN CYS 2 14.311 -4.946 0.830
8 HA CYS 2 HA CYS 2 12.557 -4.755 -1.455
9 HB2 CYS 2 HB2 CYS 2 12.504 -3.538 0.919
10 HB3 CYS 2 HB1 CYS 2 13.435 -2.330 0.036
11 H ILE 3 HN ILE 3 15.147 -2.512 -0.500
12 HA ILE 3 HA ILE 3 15.840 -2.230 -3.350
13 HB ILE 3 HB ILE 3 15.136 -0.192 -2.002
14 HG12 ILE 3 HG12 ILE 3 16.974 1.205 -2.943
15 HG13 ILE 3 HG11 ILE 3 17.902 -0.261 -3.250
16 HG21 ILE 3 HG21 ILE 3 17.915 -0.425 -0.830
17 HG22 ILE 3 HG22 ILE 3 16.484 -0.992 0.031
18 HG23 ILE 3 HG23 ILE 3 16.643 0.713 -0.392
19 HD11 ILE 3 HD11 ILE 3 16.219 -1.083 -4.783
20 HD12 ILE 3 HD12 ILE 3 16.626 0.567 -5.254
21 HD13 ILE 3 HD13 ILE 3 15.134 0.244 -4.371
22 H DBB 4 HN DBB 4 16.727 -4.369 -1.460
23 HA DBB 4 HA DBB 4 19.122 -5.107 -2.268
24 HB2 DBB 4 HB2 DBB 4 18.876 -6.545 -0.551
25 HG1 DBB 4 HG1 DBB 4 19.538 -5.915 1.723
26 HG2 DBB 4 HG2 DBB 4 19.386 -4.205 1.317
27 HG3 DBB 4 HG3 DBB 4 20.653 -5.179 0.570
28 H GLY 5 HN GLY 5 18.666 -2.533 0.131
29 HA2 GLY 5 HA2 GLY 5 21.111 -1.239 -0.744
30 HA3 GLY 5 HA1 GLY 5 19.963 -0.621 0.441
31 H GLU 6 HN GLU 6 21.063 -0.265 2.268
32 HA GLU 6 HA GLU 6 22.591 -2.505 3.413
33 HB2 GLU 6 HB2 GLU 6 23.551 0.355 3.187
34 HB3 GLU 6 HB1 GLU 6 24.319 -0.876 4.190
35 HG2 GLU 6 HG2 GLU 6 23.892 -1.103 1.197
36 HG3 GLU 6 HG1 GLU 6 25.415 -0.658 1.966
37 H SER 7 HN SER 7 20.053 -0.535 3.737
38 HA SER 7 HA SER 7 19.815 -0.989 6.553
39 HB2 SER 7 HB2 SER 7 20.773 1.636 5.591
40 HB3 SER 7 HB1 SER 7 19.448 1.688 6.751
41 HG SER 7 HG SER 7 21.912 1.423 7.351
42 HA PRO 8 HA PRO 8 15.887 1.308 5.145
43 HB2 PRO 8 HB2 PRO 8 15.908 2.653 2.768
44 HB3 PRO 8 HB1 PRO 8 16.408 3.387 4.305
45 HG2 PRO 8 HG2 PRO 8 18.081 2.284 2.102
46 HG3 PRO 8 HG1 PRO 8 18.331 3.728 3.099
47 HD2 PRO 8 HD2 PRO 8 19.643 1.364 3.541
48 HD3 PRO 8 HD1 PRO 8 19.287 2.534 4.832
49 H GLY 9 HN GLY 9 14.118 0.510 3.998
50 HA2 GLY 9 HA2 GLY 9 14.657 -1.843 2.375
51 HA3 GLY 9 HA1 GLY 9 13.087 -1.329 2.986
52 H DAL 10 HN DAL 10 11.742 -0.902 1.368
53 HA DAL 10 HA DAL 10 10.955 0.476 -0.384
54 HB1 DAL 10 HB2 DAL 10 12.919 -1.233 -1.901
55 HB2 DAL 10 HB3 DAL 10 11.307 -0.714 -2.391
56 H ALA 11 HN ALA 11 12.853 2.009 0.864
57 HA ALA 11 HA ALA 11 13.745 4.081 0.188
58 HB1 ALA 11 HB1 ALA 11 15.857 3.645 0.754
59 HB2 ALA 11 HB2 ALA 11 16.148 2.901 -0.818
60 HB3 ALA 11 HB3 ALA 11 15.549 1.925 0.525
61 HA PRO 12 HA PRO 12 12.747 3.405 -4.360
62 HB2 PRO 12 HB2 PRO 12 11.324 5.951 -3.796
63 HB3 PRO 12 HB1 PRO 12 10.758 4.514 -4.667
64 HG2 PRO 12 HG2 PRO 12 9.923 5.145 -2.187
65 HG3 PRO 12 HG1 PRO 12 10.043 3.479 -2.767
66 HD2 PRO 12 HD2 PRO 12 11.769 4.933 -0.838
67 HD3 PRO 12 HD1 PRO 12 11.452 3.191 -0.982
68 H DBB 13 HN DBB 13 14.007 4.328 -5.913
69 HA DBB 13 HA DBB 13 14.785 6.882 -6.348
70 HB2 DBB 13 HB2 DBB 13 16.625 6.055 -7.590
71 HG1 DBB 13 HG1 DBB 13 15.721 4.183 -8.765
72 HG2 DBB 13 HG2 DBB 13 14.325 5.075 -8.161
73 HG3 DBB 13 HG3 DBB 13 14.860 3.610 -7.336
74 H ASN 14 HN ASN 14 15.728 4.858 -3.728
75 HA ASN 14 HA ASN 14 17.367 7.043 -2.625
76 HB2 ASN 14 HB2 ASN 14 15.519 6.467 -1.204
77 HB3 ASN 14 HB1 ASN 14 15.896 4.747 -1.310
78 HD21 ASN 14 HD21 ASN 14 17.672 3.938 -0.015
79 HD22 ASN 14 HD22 ASN 14 18.435 4.898 1.167
80 H ASP 15 HN ASP 15 17.341 3.584 -3.303
81 HA ASP 15 HA ASP 15 20.273 3.556 -3.122
82 HB2 ASP 15 HB2 ASP 15 18.381 1.789 -1.582
83 HB3 ASP 15 HB1 ASP 15 20.024 1.280 -1.953
84 H TYR 16 HN TYR 16 21.251 1.802 -4.256
85 HA TYR 16 HA TYR 16 21.386 0.120 -5.843
86 HB2 TYR 16 HB2 TYR 16 18.777 -0.192 -4.902
87 HB3 TYR 16 HB1 TYR 16 18.604 -0.037 -6.651
88 HD1 TYR 16 HD1 TYR 16 19.492 -2.223 -3.963
89 HD2 TYR 16 HD2 TYR 16 20.197 -1.459 -8.129
90 HE1 TYR 16 HE1 TYR 16 20.315 -4.543 -4.244
91 HE2 TYR 16 HE2 TYR 16 21.021 -3.781 -8.412
92 HH TYR 16 HH TYR 16 20.635 -6.181 -5.965
93 H LYS 17 HN LYS 17 22.390 1.911 -6.984
94 HA LYS 17 HA LYS 17 22.736 3.064 -8.940
95 HB2 LYS 17 HB2 LYS 17 20.155 1.686 -9.715
96 HB3 LYS 17 HB1 LYS 17 21.120 2.669 -10.819
97 HG2 LYS 17 HG2 LYS 17 23.057 1.196 -10.459
98 HG3 LYS 17 HG1 LYS 17 22.114 0.219 -9.333
99 HD2 LYS 17 HD2 LYS 17 20.545 -0.374 -11.116
100 HD3 LYS 17 HD1 LYS 17 21.412 0.661 -12.251
101 HE2 LYS 17 HE2 LYS 17 22.097 -1.677 -12.550
102 HE3 LYS 17 HE1 LYS 17 23.447 -0.723 -11.934
103 HZ1 LYS 17 HZ1 LYS 17 23.120 -2.870 -10.775
104 HZ2 LYS 17 HZ2 LYS 17 21.616 -2.309 -10.220
105 HZ3 LYS 17 HZ3 LYS 17 23.047 -1.527 -9.742
106 H CYS 18 HN CYS 18 20.212 3.598 -6.825
107 HA CYS 18 HA CYS 18 18.768 5.674 -8.100
108 HB2 CYS 18 HB2 CYS 18 19.275 5.064 -5.185
109 HB3 CYS 18 HB1 CYS 18 18.213 6.357 -5.735
110 H DBB 19 HN DBB 19 21.608 5.713 -5.975
111 HA DBB 19 HA DBB 19 22.264 8.385 -7.013
112 HB2 DBB 19 HB2 DBB 19 24.317 7.235 -5.349
113 HG1 DBB 19 HG1 DBB 19 25.257 8.616 -6.885
114 HG2 DBB 19 HG2 DBB 19 23.920 8.412 -8.018
115 HG3 DBB 19 HG3 DBB 19 25.211 7.212 -7.952
116 H LYS 20 HN LYS 20 21.682 6.610 -4.017
117 HA LYS 20 HA LYS 20 22.265 8.951 -2.382
118 HB2 LYS 20 HB2 LYS 20 19.689 8.642 -3.408
119 HB3 LYS 20 HB1 LYS 20 19.583 8.021 -1.762
120 HG2 LYS 20 HG2 LYS 20 20.519 10.073 -0.866
121 HG3 LYS 20 HG1 LYS 20 20.826 10.685 -2.491
122 HD2 LYS 20 HD2 LYS 20 18.380 10.619 -2.950
123 HD3 LYS 20 HD1 LYS 20 18.107 10.099 -1.285
124 HE2 LYS 20 HE2 LYS 20 19.534 12.664 -2.038
125 HE3 LYS 20 HE1 LYS 20 17.820 12.575 -1.632
126 HZ1 LYS 20 HZ1 LYS 20 18.379 12.679 0.491
127 HZ2 LYS 20 HZ2 LYS 20 20.033 12.677 0.102
128 HZ3 LYS 20 HZ3 LYS 20 19.215 11.208 0.348
129 H GLY 21 HN GLY 21 23.802 7.150 -1.760
130 HA2 GLY 21 HA2 GLY 21 22.839 5.917 0.664
131 HA3 GLY 21 HA1 GLY 21 23.204 4.752 -0.603
132 H ARG 22 HN ARG 22 24.489 5.565 2.079
133 HA ARG 22 HA ARG 22 27.133 6.457 1.297
134 HB2 ARG 22 HB2 ARG 22 26.138 7.096 3.475
135 HB3 ARG 22 HB1 ARG 22 26.160 5.400 3.960
136 HG2 ARG 22 HG2 ARG 22 28.591 5.328 3.741
137 HG3 ARG 22 HG1 ARG 22 28.611 6.986 3.140
138 HD2 ARG 22 HD2 ARG 22 29.183 6.994 5.506
139 HD3 ARG 22 HD1 ARG 22 27.604 7.741 5.291
140 HE ARG 22 HE ARG 22 27.317 4.956 5.805
141 HH11 ARG 22 HH11 ARG 22 28.128 7.982 7.273
142 HH12 ARG 22 HH12 ARG 22 27.589 7.517 8.852
143 HH21 ARG 22 HH21 ARG 22 26.608 4.339 7.873
144 HH22 ARG 22 HH22 ARG 22 26.728 5.456 9.192
145 H GLY 23 HN GLY 23 25.483 3.457 1.643
146 HA2 GLY 23 HA2 GLY 23 27.327 1.604 2.403
147 HA3 GLY 23 HA1 GLY 23 26.190 1.320 1.088
148 HA PRO 24 HA PRO 24 30.810 1.925 -0.281
149 HB2 PRO 24 HB2 PRO 24 31.660 -0.702 -0.171
150 HB3 PRO 24 HB1 PRO 24 31.969 0.504 1.093
151 HG2 PRO 24 HG2 PRO 24 29.908 -1.636 0.981
152 HG3 PRO 24 HG1 PRO 24 30.854 -1.047 2.358
153 HD2 PRO 24 HD2 PRO 24 28.256 -0.334 1.978
154 HD3 PRO 24 HD1 PRO 24 29.440 0.753 2.741
155 H GLY 25 HN GLY 25 28.296 -0.434 -0.846
156 HA2 GLY 25 HA2 GLY 25 29.212 -0.914 -3.597
157 HA3 GLY 25 HA1 GLY 25 27.937 -1.797 -2.759
158 H GLY 26 HN GLY 26 27.971 -0.388 -5.400
159 HA2 GLY 26 HA2 GLY 26 26.757 1.223 -6.579
160 HA3 GLY 26 HA1 GLY 26 25.432 0.426 -5.732
161 H CYS 27 HN CYS 27 24.375 2.534 -5.842
162 HA CYS 27 HA CYS 27 25.406 4.822 -4.525
163 HB2 CYS 27 HB2 CYS 27 22.582 3.987 -5.200
164 HB3 CYS 27 HB1 CYS 27 22.991 5.550 -4.496
165 H TYR 28 HN TYR 28 23.417 2.108 -3.436
166 HA TYR 28 HA TYR 28 22.611 3.020 -0.951
167 HB2 TYR 28 HB2 TYR 28 22.806 0.564 -0.264
168 HB3 TYR 28 HB1 TYR 28 21.786 0.921 -1.655
169 HD1 TYR 28 HD1 TYR 28 24.919 -0.595 -0.515
170 HD2 TYR 28 HD2 TYR 28 22.553 0.447 -3.947
171 HE1 TYR 28 HE1 TYR 28 26.316 -2.075 -1.927
172 HE2 TYR 28 HE2 TYR 28 23.951 -1.035 -5.359
173 HH TYR 28 HH TYR 28 26.894 -2.474 -4.164
Start of MODEL 9
1 H1 CYS 1 HT1 CYS 1 13.771 -8.734 3.610
2 H2 CYS 1 HT2 CYS 1 12.385 -7.782 3.357
3 H3 CYS 1 HT3 CYS 1 13.244 -7.665 4.817
4 HA CYS 1 HA CYS 1 14.012 -5.812 3.749
5 HB2 CYS 1 HB2 CYS 1 15.836 -7.558 4.289
6 HB3 CYS 1 HB1 CYS 1 15.881 -7.858 2.552
7 H CYS 2 HN CYS 2 14.106 -4.554 1.904
8 HA CYS 2 HA CYS 2 12.765 -5.655 -0.437
9 HB2 CYS 2 HB2 CYS 2 12.236 -3.484 -0.984
10 HB3 CYS 2 HB1 CYS 2 12.453 -3.293 0.756
11 H ILE 3 HN ILE 3 15.841 -4.077 0.374
12 HA ILE 3 HA ILE 3 16.943 -5.088 -2.178
13 HB ILE 3 HB ILE 3 16.715 -2.526 -1.798
14 HG12 ILE 3 HG12 ILE 3 19.552 -3.190 -2.393
15 HG13 ILE 3 HG11 ILE 3 18.339 -4.036 -3.356
16 HG21 ILE 3 HG21 ILE 3 19.359 -2.621 -0.490
17 HG22 ILE 3 HG22 ILE 3 18.017 -3.121 0.540
18 HG23 ILE 3 HG23 ILE 3 18.004 -1.526 -0.212
19 HD11 ILE 3 HD11 ILE 3 17.686 -1.214 -3.067
20 HD12 ILE 3 HD12 ILE 3 17.861 -2.173 -4.537
21 HD13 ILE 3 HD13 ILE 3 19.280 -1.436 -3.790
22 H DBB 4 HN DBB 4 16.825 -5.878 0.894
23 HA DBB 4 HA DBB 4 18.697 -7.686 1.209
24 HB2 DBB 4 HB2 DBB 4 18.172 -7.529 3.396
25 HG1 DBB 4 HG1 DBB 4 19.237 -4.692 3.486
26 HG2 DBB 4 HG2 DBB 4 20.274 -6.112 3.620
27 HG3 DBB 4 HG3 DBB 4 19.038 -5.804 4.840
28 H GLY 5 HN GLY 5 19.489 -4.251 1.755
29 HA2 GLY 5 HA2 GLY 5 22.333 -4.907 1.274
30 HA3 GLY 5 HA1 GLY 5 21.566 -3.544 0.468
31 H GLU 6 HN GLU 6 22.165 -1.680 1.362
32 HA GLU 6 HA GLU 6 22.639 -1.591 4.273
33 HB2 GLU 6 HB2 GLU 6 24.571 -0.973 2.866
34 HB3 GLU 6 HB1 GLU 6 23.604 0.292 2.109
35 HG2 GLU 6 HG2 GLU 6 24.927 1.315 3.856
36 HG3 GLU 6 HG1 GLU 6 23.249 1.291 4.389
37 H SER 7 HN SER 7 20.452 -0.732 1.884
38 HA SER 7 HA SER 7 19.570 1.777 2.949
39 HB2 SER 7 HB2 SER 7 17.681 0.134 1.368
40 HB3 SER 7 HB1 SER 7 18.127 1.828 1.188
41 HG SER 7 HG SER 7 20.282 0.794 0.573
42 HA PRO 8 HA PRO 8 16.995 0.440 6.243
43 HB2 PRO 8 HB2 PRO 8 14.904 2.221 6.023
44 HB3 PRO 8 HB1 PRO 8 16.489 2.630 6.705
45 HG2 PRO 8 HG2 PRO 8 15.396 3.178 3.994
46 HG3 PRO 8 HG1 PRO 8 16.421 4.191 5.026
47 HD2 PRO 8 HD2 PRO 8 17.406 2.777 2.910
48 HD3 PRO 8 HD1 PRO 8 18.370 3.132 4.361
49 H GLY 9 HN GLY 9 15.750 0.554 3.011
50 HA2 GLY 9 HA2 GLY 9 14.427 -1.846 2.999
51 HA3 GLY 9 HA1 GLY 9 13.217 -0.691 3.547
52 H DAL 10 HN DAL 10 12.104 -1.307 1.533
53 HA DAL 10 HA DAL 10 11.371 -0.749 -0.574
54 HB1 DAL 10 HB2 DAL 10 13.994 -0.394 -1.785
55 HB2 DAL 10 HB3 DAL 10 12.753 -1.597 -2.132
56 H ALA 11 HN ALA 11 14.455 1.008 -0.700
57 HA ALA 11 HA ALA 11 12.920 3.528 -0.806
58 HB1 ALA 11 HB1 ALA 11 14.551 4.567 0.401
59 HB2 ALA 11 HB2 ALA 11 15.843 3.608 -0.324
60 HB3 ALA 11 HB3 ALA 11 14.861 2.928 0.974
61 HA PRO 12 HA PRO 12 14.617 2.727 -5.063
62 HB2 PRO 12 HB2 PRO 12 12.500 4.106 -6.238
63 HB3 PRO 12 HB1 PRO 12 12.563 2.352 -5.990
64 HG2 PRO 12 HG2 PRO 12 11.188 4.442 -4.387
65 HG3 PRO 12 HG1 PRO 12 10.679 2.788 -4.768
66 HD2 PRO 12 HD2 PRO 12 11.675 3.442 -2.333
67 HD3 PRO 12 HD1 PRO 12 11.969 1.852 -3.071
68 H DBB 13 HN DBB 13 15.807 4.167 -6.272
69 HA DBB 13 HA DBB 13 15.407 7.001 -6.214
70 HB2 DBB 13 HB2 DBB 13 16.446 6.320 -8.165
71 HG1 DBB 13 HG1 DBB 13 17.657 4.284 -6.390
72 HG2 DBB 13 HG2 DBB 13 18.627 4.768 -7.780
73 HG3 DBB 13 HG3 DBB 13 17.006 4.120 -8.021
74 H ASN 14 HN ASN 14 16.296 5.031 -3.838
75 HA ASN 14 HA ASN 14 18.165 6.976 -2.624
76 HB2 ASN 14 HB2 ASN 14 15.827 6.911 -1.663
77 HB3 ASN 14 HB1 ASN 14 16.160 5.255 -1.153
78 HD21 ASN 14 HD21 ASN 14 16.177 5.722 1.134
79 HD22 ASN 14 HD22 ASN 14 17.383 6.686 1.852
80 H ASP 15 HN ASP 15 18.116 4.033 -3.971
81 HA ASP 15 HA ASP 15 20.285 3.069 -2.239
82 HB2 ASP 15 HB2 ASP 15 18.262 1.921 -1.465
83 HB3 ASP 15 HB1 ASP 15 17.933 1.379 -3.109
84 H TYR 16 HN TYR 16 18.693 1.139 -4.673
85 HA TYR 16 HA TYR 16 21.156 0.894 -6.160
86 HB2 TYR 16 HB2 TYR 16 19.490 -0.977 -5.757
87 HB3 TYR 16 HB1 TYR 16 18.439 -0.179 -6.928
88 HD1 TYR 16 HD1 TYR 16 21.288 -2.337 -6.467
89 HD2 TYR 16 HD2 TYR 16 19.360 0.289 -9.270
90 HE1 TYR 16 HE1 TYR 16 22.567 -3.376 -8.321
91 HE2 TYR 16 HE2 TYR 16 20.638 -0.753 -11.123
92 HH TYR 16 HH TYR 16 21.766 -3.084 -11.494
93 H LYS 17 HN LYS 17 21.719 1.944 -7.962
94 HA LYS 17 HA LYS 17 21.532 3.159 -9.922
95 HB2 LYS 17 HB2 LYS 17 19.065 1.981 -9.768
96 HB3 LYS 17 HB1 LYS 17 18.644 3.694 -9.730
97 HG2 LYS 17 HG2 LYS 17 19.892 4.101 -11.771
98 HG3 LYS 17 HG1 LYS 17 20.493 2.444 -11.780
99 HD2 LYS 17 HD2 LYS 17 18.220 1.588 -12.069
100 HD3 LYS 17 HD1 LYS 17 17.569 3.223 -11.975
101 HE2 LYS 17 HE2 LYS 17 17.695 2.788 -14.298
102 HE3 LYS 17 HE1 LYS 17 19.130 3.756 -13.963
103 HZ1 LYS 17 HZ1 LYS 17 19.747 1.881 -15.288
104 HZ2 LYS 17 HZ2 LYS 17 19.000 0.802 -14.209
105 HZ3 LYS 17 HZ3 LYS 17 20.383 1.664 -13.732
106 H CYS 18 HN CYS 18 20.924 4.108 -6.855
107 HA CYS 18 HA CYS 18 20.943 6.955 -7.630
108 HB2 CYS 18 HB2 CYS 18 19.060 5.566 -5.803
109 HB3 CYS 18 HB1 CYS 18 19.696 7.111 -5.243
110 H DBB 19 HN DBB 19 22.739 7.891 -6.911
111 HA DBB 19 HA DBB 19 24.632 8.317 -5.678
112 HB2 DBB 19 HB2 DBB 19 24.167 5.414 -5.004
113 HG1 DBB 19 HG1 DBB 19 26.300 7.293 -3.954
114 HG2 DBB 19 HG2 DBB 19 26.482 5.538 -3.959
115 HG3 DBB 19 HG3 DBB 19 25.198 6.289 -3.012
116 H LYS 20 HN LYS 20 21.651 8.121 -4.527
117 HA LYS 20 HA LYS 20 22.191 9.567 -2.160
118 HB2 LYS 20 HB2 LYS 20 19.680 8.189 -3.124
119 HB3 LYS 20 HB1 LYS 20 19.745 9.227 -1.698
120 HG2 LYS 20 HG2 LYS 20 20.545 11.100 -3.082
121 HG3 LYS 20 HG1 LYS 20 20.511 10.067 -4.512
122 HD2 LYS 20 HD2 LYS 20 18.067 9.730 -4.175
123 HD3 LYS 20 HD1 LYS 20 18.125 10.844 -2.808
124 HE2 LYS 20 HE2 LYS 20 18.981 11.564 -5.624
125 HE3 LYS 20 HE1 LYS 20 17.398 11.937 -4.946
126 HZ1 LYS 20 HZ1 LYS 20 18.377 13.302 -3.302
127 HZ2 LYS 20 HZ2 LYS 20 19.078 13.755 -4.781
128 HZ3 LYS 20 HZ3 LYS 20 19.945 12.785 -3.690
129 H GLY 21 HN GLY 21 21.264 6.217 -2.718
130 HA2 GLY 21 HA2 GLY 21 21.084 5.475 0.021
131 HA3 GLY 21 HA1 GLY 21 21.242 4.371 -1.340
132 H ARG 22 HN ARG 22 23.684 5.238 -2.389
133 HA ARG 22 HA ARG 22 25.927 4.797 -2.180
134 HB2 ARG 22 HB2 ARG 22 25.802 6.852 -0.819
135 HB3 ARG 22 HB1 ARG 22 25.499 5.872 0.614
136 HG2 ARG 22 HG2 ARG 22 27.659 4.718 0.279
137 HG3 ARG 22 HG1 ARG 22 27.967 5.717 -1.143
138 HD2 ARG 22 HD2 ARG 22 27.765 7.747 0.324
139 HD3 ARG 22 HD1 ARG 22 27.661 6.672 1.715
140 HE ARG 22 HE ARG 22 29.964 5.985 0.256
141 HH11 ARG 22 HH11 ARG 22 28.640 8.595 2.102
142 HH12 ARG 22 HH12 ARG 22 30.180 9.175 2.643
143 HH21 ARG 22 HH21 ARG 22 31.985 6.737 0.963
144 HH22 ARG 22 HH22 ARG 22 32.074 8.123 1.999
145 H GLY 23 HN GLY 23 25.412 2.521 -2.329
146 HA2 GLY 23 HA2 GLY 23 25.953 1.080 0.203
147 HA3 GLY 23 HA1 GLY 23 24.852 0.463 -1.026
148 HA PRO 24 HA PRO 24 29.035 -1.431 -1.740
149 HB2 PRO 24 HB2 PRO 24 27.999 -3.912 -2.343
150 HB3 PRO 24 HB1 PRO 24 28.452 -3.394 -0.707
151 HG2 PRO 24 HG2 PRO 24 25.767 -3.517 -1.980
152 HG3 PRO 24 HG1 PRO 24 26.250 -3.897 -0.318
153 HD2 PRO 24 HD2 PRO 24 25.017 -1.557 -0.980
154 HD3 PRO 24 HD1 PRO 24 26.183 -1.681 0.357
155 H GLY 25 HN GLY 25 26.072 -1.213 -3.536
156 HA2 GLY 25 HA2 GLY 25 27.561 -1.018 -6.037
157 HA3 GLY 25 HA1 GLY 25 26.378 -2.321 -5.945
158 H GLY 26 HN GLY 26 25.217 -1.293 -7.675
159 HA2 GLY 26 HA2 GLY 26 23.469 -0.039 -8.490
160 HA3 GLY 26 HA1 GLY 26 23.060 0.313 -6.814
161 H CYS 27 HN CYS 27 22.818 2.457 -6.643
162 HA CYS 27 HA CYS 27 23.405 4.681 -6.549
163 HB2 CYS 27 HB2 CYS 27 25.687 3.728 -5.965
164 HB3 CYS 27 HB1 CYS 27 26.095 3.896 -7.673
165 H TYR 28 HN TYR 28 23.042 6.350 -7.922
166 HA TYR 28 HA TYR 28 22.051 7.035 -9.961
167 HB2 TYR 28 HB2 TYR 28 25.040 6.892 -10.417
168 HB3 TYR 28 HB1 TYR 28 23.918 7.827 -11.405
169 HD1 TYR 28 HD1 TYR 28 25.873 7.759 -8.381
170 HD2 TYR 28 HD2 TYR 28 22.478 9.604 -10.255
171 HE1 TYR 28 HE1 TYR 28 25.984 9.622 -6.748
172 HE2 TYR 28 HE2 TYR 28 22.587 11.467 -8.622
173 HH TYR 28 HH TYR 28 25.245 11.728 -6.312
Start of MODEL 10
1 H1 CYS 1 HT1 CYS 1 12.939 -6.702 3.631
2 H2 CYS 1 HT2 CYS 1 11.968 -5.984 2.436
3 H3 CYS 1 HT3 CYS 1 12.222 -5.192 3.917
4 HA CYS 1 HA CYS 1 13.705 -4.056 2.645
5 HB2 CYS 1 HB2 CYS 1 14.973 -5.080 4.459
6 HB3 CYS 1 HB1 CYS 1 15.188 -6.554 3.516
7 H CYS 2 HN CYS 2 14.707 -3.762 0.663
8 HA CYS 2 HA CYS 2 14.037 -5.742 -1.376
9 HB2 CYS 2 HB2 CYS 2 15.257 -2.981 -1.634
10 HB3 CYS 2 HB1 CYS 2 14.690 -3.989 -2.966
11 H ILE 3 HN ILE 3 16.912 -3.681 -1.050
12 HA ILE 3 HA ILE 3 18.619 -5.635 -2.251
13 HB ILE 3 HB ILE 3 19.031 -2.969 -0.940
14 HG12 ILE 3 HG12 ILE 3 20.307 -3.347 -3.470
15 HG13 ILE 3 HG11 ILE 3 18.674 -4.011 -3.572
16 HG21 ILE 3 HG21 ILE 3 20.949 -4.112 -0.132
17 HG22 ILE 3 HG22 ILE 3 21.497 -3.319 -1.609
18 HG23 ILE 3 HG23 ILE 3 21.122 -5.043 -1.619
19 HD11 ILE 3 HD11 ILE 3 18.361 -1.741 -4.115
20 HD12 ILE 3 HD12 ILE 3 19.521 -1.197 -2.902
21 HD13 ILE 3 HD13 ILE 3 17.944 -1.807 -2.402
22 H DBB 4 HN DBB 4 17.250 -5.506 0.740
23 HA DBB 4 HA DBB 4 18.172 -7.661 1.930
24 HB2 DBB 4 HB2 DBB 4 17.216 -6.803 3.792
25 HG1 DBB 4 HG1 DBB 4 19.130 -4.447 3.685
26 HG2 DBB 4 HG2 DBB 4 19.503 -5.978 4.478
27 HG3 DBB 4 HG3 DBB 4 18.180 -4.976 5.074
28 H GLY 5 HN GLY 5 19.972 -4.601 2.133
29 HA2 GLY 5 HA2 GLY 5 22.286 -5.836 3.315
30 HA3 GLY 5 HA1 GLY 5 22.501 -5.515 1.597
31 H GLU 6 HN GLU 6 20.529 -3.157 2.120
32 HA GLU 6 HA GLU 6 22.640 -1.237 2.749
33 HB2 GLU 6 HB2 GLU 6 20.196 0.080 2.141
34 HB3 GLU 6 HB1 GLU 6 21.655 -0.012 1.156
35 HG2 GLU 6 HG2 GLU 6 19.910 -0.918 -0.196
36 HG3 GLU 6 HG1 GLU 6 20.830 -2.304 0.386
37 H SER 7 HN SER 7 19.188 -1.437 3.493
38 HA SER 7 HA SER 7 19.082 -1.670 6.158
39 HB2 SER 7 HB2 SER 7 20.473 0.810 5.500
40 HB3 SER 7 HB1 SER 7 19.087 1.074 6.550
41 HG SER 7 HG SER 7 20.288 0.308 8.083
42 HA PRO 8 HA PRO 8 15.475 1.341 5.169
43 HB2 PRO 8 HB2 PRO 8 15.595 2.699 2.780
44 HB3 PRO 8 HB1 PRO 8 16.207 3.341 4.316
45 HG2 PRO 8 HG2 PRO 8 17.688 2.091 2.061
46 HG3 PRO 8 HG1 PRO 8 18.146 3.452 3.099
47 HD2 PRO 8 HD2 PRO 8 19.158 0.935 3.434
48 HD3 PRO 8 HD1 PRO 8 18.951 2.079 4.778
49 H GLY 9 HN GLY 9 16.967 -0.650 2.790
50 HA2 GLY 9 HA2 GLY 9 16.099 -2.334 1.469
51 HA3 GLY 9 HA1 GLY 9 14.528 -2.030 2.203
52 H DAL 10 HN DAL 10 13.094 -1.658 0.632
53 HA DAL 10 HA DAL 10 12.075 -0.189 -0.923
54 HB1 DAL 10 HB2 DAL 10 14.150 -1.377 -2.737
55 HB2 DAL 10 HB3 DAL 10 12.423 -1.156 -3.013
56 H ALA 11 HN ALA 11 13.491 1.620 0.334
57 HA ALA 11 HA ALA 11 14.135 3.811 -0.231
58 HB1 ALA 11 HB1 ALA 11 16.482 1.942 -0.487
59 HB2 ALA 11 HB2 ALA 11 16.071 3.022 0.846
60 HB3 ALA 11 HB3 ALA 11 16.681 3.684 -0.669
61 HA PRO 12 HA PRO 12 13.731 3.111 -4.864
62 HB2 PRO 12 HB2 PRO 12 11.801 5.116 -5.083
63 HB3 PRO 12 HB1 PRO 12 11.460 3.380 -4.954
64 HG2 PRO 12 HG2 PRO 12 11.380 5.487 -2.862
65 HG3 PRO 12 HG1 PRO 12 10.341 4.069 -3.084
66 HD2 PRO 12 HD2 PRO 12 12.287 4.132 -1.195
67 HD3 PRO 12 HD1 PRO 12 11.846 2.630 -2.041
68 H DBB 13 HN DBB 13 14.997 4.270 -6.228
69 HA DBB 13 HA DBB 13 15.283 6.947 -6.587
70 HB2 DBB 13 HB2 DBB 13 17.237 6.488 -7.734
71 HG1 DBB 13 HG1 DBB 13 15.407 4.663 -8.112
72 HG2 DBB 13 HG2 DBB 13 16.517 3.606 -7.239
73 HG3 DBB 13 HG3 DBB 13 17.028 4.374 -8.742
74 H ASN 14 HN ASN 14 16.235 5.094 -3.855
75 HA ASN 14 HA ASN 14 17.443 7.492 -2.618
76 HB2 ASN 14 HB2 ASN 14 15.273 6.857 -1.640
77 HB3 ASN 14 HB1 ASN 14 15.896 5.239 -1.307
78 HD21 ASN 14 HD21 ASN 14 15.745 5.487 1.025
79 HD22 ASN 14 HD22 ASN 14 16.772 6.542 1.878
80 H ASP 15 HN ASP 15 18.238 4.588 -3.899
81 HA ASP 15 HA ASP 15 20.721 4.466 -2.396
82 HB2 ASP 15 HB2 ASP 15 19.256 3.063 -1.027
83 HB3 ASP 15 HB1 ASP 15 18.806 2.123 -2.449
84 H TYR 16 HN TYR 16 19.242 1.809 -4.148
85 HA TYR 16 HA TYR 16 21.456 1.587 -5.935
86 HB2 TYR 16 HB2 TYR 16 20.072 -0.339 -5.185
87 HB3 TYR 16 HB1 TYR 16 18.725 0.299 -6.127
88 HD1 TYR 16 HD1 TYR 16 22.023 -1.305 -6.265
89 HD2 TYR 16 HD2 TYR 16 18.797 0.325 -8.584
90 HE1 TYR 16 HE1 TYR 16 22.933 -2.396 -8.298
91 HE2 TYR 16 HE2 TYR 16 19.705 -0.767 -10.616
92 HH TYR 16 HH TYR 16 22.553 -2.891 -10.443
93 H LYS 17 HN LYS 17 21.757 2.435 -7.899
94 HA LYS 17 HA LYS 17 21.420 3.647 -9.816
95 HB2 LYS 17 HB2 LYS 17 18.971 2.107 -9.410
96 HB3 LYS 17 HB1 LYS 17 18.710 3.584 -10.339
97 HG2 LYS 17 HG2 LYS 17 20.436 2.969 -11.920
98 HG3 LYS 17 HG1 LYS 17 20.900 1.578 -10.940
99 HD2 LYS 17 HD2 LYS 17 19.510 0.775 -12.748
100 HD3 LYS 17 HD1 LYS 17 18.572 0.673 -11.257
101 HE2 LYS 17 HE2 LYS 17 17.450 2.787 -11.790
102 HE3 LYS 17 HE1 LYS 17 18.420 2.950 -13.253
103 HZ1 LYS 17 HZ1 LYS 17 16.574 1.966 -14.106
104 HZ2 LYS 17 HZ2 LYS 17 16.212 1.116 -12.680
105 HZ3 LYS 17 HZ3 LYS 17 17.453 0.573 -13.705
106 H CYS 18 HN CYS 18 21.273 4.977 -7.225
107 HA CYS 18 HA CYS 18 19.765 7.358 -8.086
108 HB2 CYS 18 HB2 CYS 18 19.824 6.849 -5.169
109 HB3 CYS 18 HB1 CYS 18 18.552 7.550 -6.169
110 H DBB 19 HN DBB 19 22.532 5.911 -6.670
111 HA DBB 19 HA DBB 19 23.929 8.456 -6.682
112 HB2 DBB 19 HB2 DBB 19 24.724 5.578 -6.369
113 HG1 DBB 19 HG1 DBB 19 26.334 8.013 -5.565
114 HG2 DBB 19 HG2 DBB 19 27.085 6.474 -5.988
115 HG3 DBB 19 HG3 DBB 19 26.001 6.574 -4.602
116 H LYS 20 HN LYS 20 21.884 7.125 -4.589
117 HA LYS 20 HA LYS 20 23.151 8.443 -2.292
118 HB2 LYS 20 HB2 LYS 20 20.312 7.537 -2.804
119 HB3 LYS 20 HB1 LYS 20 20.862 8.250 -1.285
120 HG2 LYS 20 HG2 LYS 20 21.571 10.279 -2.478
121 HG3 LYS 20 HG1 LYS 20 21.060 9.570 -4.010
122 HD2 LYS 20 HD2 LYS 20 18.741 9.441 -3.184
123 HD3 LYS 20 HD1 LYS 20 19.247 10.142 -1.647
124 HE2 LYS 20 HE2 LYS 20 19.989 12.182 -2.808
125 HE3 LYS 20 HE1 LYS 20 19.505 11.485 -4.354
126 HZ1 LYS 20 HZ1 LYS 20 17.311 11.728 -3.888
127 HZ2 LYS 20 HZ2 LYS 20 17.910 13.037 -2.985
128 HZ3 LYS 20 HZ3 LYS 20 17.518 11.575 -2.211
129 H GLY 21 HN GLY 21 22.887 5.389 -3.572
130 HA2 GLY 21 HA2 GLY 21 22.724 4.026 -0.974
131 HA3 GLY 21 HA1 GLY 21 22.665 3.253 -2.555
132 H ARG 22 HN ARG 22 24.527 3.584 0.108
133 HA ARG 22 HA ARG 22 27.100 3.617 -1.307
134 HB2 ARG 22 HB2 ARG 22 26.427 3.649 1.646
135 HB3 ARG 22 HB1 ARG 22 28.066 3.672 0.990
136 HG2 ARG 22 HG2 ARG 22 27.563 5.762 -0.217
137 HG3 ARG 22 HG1 ARG 22 25.921 5.743 0.430
138 HD2 ARG 22 HD2 ARG 22 28.412 5.788 2.151
139 HD3 ARG 22 HD1 ARG 22 27.499 7.227 1.709
140 HE ARG 22 HE ARG 22 25.698 5.393 2.828
141 HH11 ARG 22 HH11 ARG 22 28.484 7.253 3.697
142 HH12 ARG 22 HH12 ARG 22 28.027 7.418 5.359
143 HH21 ARG 22 HH21 ARG 22 25.092 5.603 5.006
144 HH22 ARG 22 HH22 ARG 22 26.106 6.483 6.102
145 H GLY 23 HN GLY 23 24.813 1.396 -0.598
146 HA2 GLY 23 HA2 GLY 23 26.098 -0.739 0.654
147 HA3 GLY 23 HA1 GLY 23 24.805 -0.905 -0.529
148 HA PRO 24 HA PRO 24 28.429 -3.141 -2.300
149 HB2 PRO 24 HB2 PRO 24 26.166 -4.168 -3.948
150 HB3 PRO 24 HB1 PRO 24 27.471 -5.058 -3.138
151 HG2 PRO 24 HG2 PRO 24 24.984 -5.048 -2.181
152 HG3 PRO 24 HG1 PRO 24 26.397 -5.058 -1.112
153 HD2 PRO 24 HD2 PRO 24 24.537 -2.807 -1.751
154 HD3 PRO 24 HD1 PRO 24 25.422 -3.150 -0.247
155 H GLY 25 HN GLY 25 25.718 -1.580 -3.989
156 HA2 GLY 25 HA2 GLY 25 27.304 0.135 -5.539
157 HA3 GLY 25 HA1 GLY 25 26.957 -1.294 -6.510
158 H GLY 26 HN GLY 26 25.875 0.437 -7.838
159 HA2 GLY 26 HA2 GLY 26 23.667 0.725 -8.706
160 HA3 GLY 26 HA1 GLY 26 23.037 0.577 -7.069
161 H CYS 27 HN CYS 27 24.087 2.721 -9.502
162 HA CYS 27 HA CYS 27 23.584 4.998 -7.705
163 HB2 CYS 27 HB2 CYS 27 26.082 4.567 -8.165
164 HB3 CYS 27 HB1 CYS 27 25.735 5.110 -9.808
165 H TYR 28 HN TYR 28 22.268 6.508 -8.535
166 HA TYR 28 HA TYR 28 20.506 7.086 -9.983
167 HB2 TYR 28 HB2 TYR 28 23.079 7.795 -11.409
168 HB3 TYR 28 HB1 TYR 28 21.495 8.433 -11.846
169 HD1 TYR 28 HD1 TYR 28 24.289 8.662 -9.543
170 HD2 TYR 28 HD2 TYR 28 20.180 9.761 -10.150
171 HE1 TYR 28 HE1 TYR 28 24.491 10.393 -7.777
172 HE2 TYR 28 HE2 TYR 28 20.382 11.491 -8.384
173 HH TYR 28 HH TYR 28 22.158 11.673 -6.185
Start of MODEL 11
1 H1 CYS 1 HT1 CYS 1 13.089 -8.446 -0.723
2 H2 CYS 1 HT2 CYS 1 13.013 -8.965 0.894
3 H3 CYS 1 HT3 CYS 1 14.266 -9.505 -0.119
4 HA CYS 1 HA CYS 1 14.108 -7.141 1.458
5 HB2 CYS 1 HB2 CYS 1 15.947 -8.955 1.210
6 HB3 CYS 1 HB1 CYS 1 16.415 -8.073 -0.242
7 H CYS 2 HN CYS 2 14.367 -5.022 0.846
8 HA CYS 2 HA CYS 2 13.657 -4.361 -1.880
9 HB2 CYS 2 HB2 CYS 2 13.574 -3.059 0.677
10 HB3 CYS 2 HB1 CYS 2 14.438 -2.032 -0.468
11 H ILE 3 HN ILE 3 16.462 -3.880 0.241
12 HA ILE 3 HA ILE 3 18.086 -3.339 -2.170
13 HB ILE 3 HB ILE 3 17.672 -1.456 -0.375
14 HG12 ILE 3 HG12 ILE 3 20.148 -0.779 -0.732
15 HG13 ILE 3 HG11 ILE 3 20.276 -2.272 -1.662
16 HG21 ILE 3 HG21 ILE 3 18.338 -2.976 1.515
17 HG22 ILE 3 HG22 ILE 3 19.272 -1.482 1.444
18 HG23 ILE 3 HG23 ILE 3 19.976 -2.992 0.860
19 HD11 ILE 3 HD11 ILE 3 18.268 -0.059 -2.176
20 HD12 ILE 3 HD12 ILE 3 18.435 -1.540 -3.119
21 HD13 ILE 3 HD13 ILE 3 19.731 -0.345 -3.119
22 H DBB 4 HN DBB 4 17.397 -5.668 -0.064
23 HA DBB 4 HA DBB 4 19.209 -7.522 -0.510
24 HB2 DBB 4 HB2 DBB 4 18.401 -8.542 1.345
25 HG1 DBB 4 HG1 DBB 4 18.790 -7.754 3.612
26 HG2 DBB 4 HG2 DBB 4 19.181 -6.137 3.027
27 HG3 DBB 4 HG3 DBB 4 20.265 -7.485 2.684
28 H GLY 5 HN GLY 5 19.821 -4.978 1.898
29 HA2 GLY 5 HA2 GLY 5 22.622 -5.687 2.117
30 HA3 GLY 5 HA1 GLY 5 22.335 -4.204 1.213
31 H GLU 6 HN GLU 6 23.325 -2.880 2.750
32 HA GLU 6 HA GLU 6 22.118 -2.793 5.433
33 HB2 GLU 6 HB2 GLU 6 24.656 -1.586 4.310
34 HB3 GLU 6 HB1 GLU 6 24.056 -1.269 5.937
35 HG2 GLU 6 HG2 GLU 6 24.168 -3.653 6.477
36 HG3 GLU 6 HG1 GLU 6 24.682 -4.022 4.832
37 H SER 7 HN SER 7 21.803 -1.404 2.438
38 HA SER 7 HA SER 7 21.430 1.334 3.153
39 HB2 SER 7 HB2 SER 7 21.370 1.575 0.924
40 HB3 SER 7 HB1 SER 7 21.516 -0.174 0.773
41 HG SER 7 HG SER 7 19.478 1.305 0.092
42 HA PRO 8 HA PRO 8 17.241 1.413 4.472
43 HB2 PRO 8 HB2 PRO 8 15.997 3.288 2.926
44 HB3 PRO 8 HB1 PRO 8 17.200 3.696 4.164
45 HG2 PRO 8 HG2 PRO 8 17.512 3.502 1.212
46 HG3 PRO 8 HG1 PRO 8 18.215 4.665 2.350
47 HD2 PRO 8 HD2 PRO 8 19.601 2.526 1.329
48 HD3 PRO 8 HD1 PRO 8 19.970 3.268 2.899
49 H GLY 9 HN GLY 9 15.021 0.844 4.023
50 HA2 GLY 9 HA2 GLY 9 14.643 -1.338 2.363
51 HA3 GLY 9 HA1 GLY 9 13.335 -0.331 2.979
52 H DAL 10 HN DAL 10 12.216 -0.692 0.980
53 HA DAL 10 HA DAL 10 11.430 0.568 -0.884
54 HB1 DAL 10 HB2 DAL 10 13.770 -0.887 -2.101
55 HB2 DAL 10 HB3 DAL 10 12.160 -0.633 -2.775
56 H ALA 11 HN ALA 11 12.386 2.648 0.107
57 HA ALA 11 HA ALA 11 13.266 4.701 -0.446
58 HB1 ALA 11 HB1 ALA 11 15.770 3.096 -0.950
59 HB2 ALA 11 HB2 ALA 11 15.160 3.452 0.666
60 HB3 ALA 11 HB3 ALA 11 15.651 4.767 -0.401
61 HA PRO 12 HA PRO 12 12.831 3.599 -5.031
62 HB2 PRO 12 HB2 PRO 12 10.978 5.909 -4.769
63 HB3 PRO 12 HB1 PRO 12 10.742 4.366 -5.605
64 HG2 PRO 12 HG2 PRO 12 9.570 4.970 -3.249
65 HG3 PRO 12 HG1 PRO 12 9.981 3.320 -3.736
66 HD2 PRO 12 HD2 PRO 12 11.249 5.045 -1.694
67 HD3 PRO 12 HD1 PRO 12 11.252 3.277 -1.837
68 H DBB 13 HN DBB 13 14.137 4.607 -6.487
69 HA DBB 13 HA DBB 13 14.531 7.275 -6.969
70 HB2 DBB 13 HB2 DBB 13 16.370 6.664 -8.222
71 HG1 DBB 13 HG1 DBB 13 15.523 3.844 -7.591
72 HG2 DBB 13 HG2 DBB 13 15.975 4.541 -9.149
73 HG3 DBB 13 HG3 DBB 13 14.418 4.939 -8.423
74 H ASN 14 HN ASN 14 15.423 5.487 -4.207
75 HA ASN 14 HA ASN 14 17.005 7.759 -3.177
76 HB2 ASN 14 HB2 ASN 14 14.819 7.643 -2.103
77 HB3 ASN 14 HB1 ASN 14 15.075 5.939 -1.715
78 HD21 ASN 14 HD21 ASN 14 15.047 6.270 0.606
79 HD22 ASN 14 HD22 ASN 14 16.288 7.114 1.408
80 H ASP 15 HN ASP 15 17.200 4.623 -4.166
81 HA ASP 15 HA ASP 15 19.663 4.194 -2.658
82 HB2 ASP 15 HB2 ASP 15 19.010 1.933 -1.960
83 HB3 ASP 15 HB1 ASP 15 17.933 3.142 -1.260
84 H TYR 16 HN TYR 16 19.219 1.256 -3.548
85 HA TYR 16 HA TYR 16 20.442 0.144 -5.228
86 HB2 TYR 16 HB2 TYR 16 17.731 0.892 -5.910
87 HB3 TYR 16 HB1 TYR 16 18.718 0.722 -7.362
88 HD1 TYR 16 HD1 TYR 16 16.982 -1.017 -4.732
89 HD2 TYR 16 HD2 TYR 16 20.135 -1.393 -7.624
90 HE1 TYR 16 HE1 TYR 16 16.874 -3.488 -4.529
91 HE2 TYR 16 HE2 TYR 16 20.030 -3.861 -7.419
92 HH TYR 16 HH TYR 16 18.035 -5.421 -4.981
93 H LYS 17 HN LYS 17 19.080 2.378 -7.541
94 HA LYS 17 HA LYS 17 21.768 3.502 -8.020
95 HB2 LYS 17 HB2 LYS 17 19.831 2.414 -10.073
96 HB3 LYS 17 HB1 LYS 17 21.264 3.365 -10.470
97 HG2 LYS 17 HG2 LYS 17 22.684 1.692 -9.328
98 HG3 LYS 17 HG1 LYS 17 21.250 0.734 -8.961
99 HD2 LYS 17 HD2 LYS 17 22.066 1.497 -11.777
100 HD3 LYS 17 HD1 LYS 17 22.516 -0.028 -11.013
101 HE2 LYS 17 HE2 LYS 17 20.066 -0.455 -10.601
102 HE3 LYS 17 HE1 LYS 17 19.713 0.970 -11.578
103 HZ1 LYS 17 HZ1 LYS 17 20.533 -1.658 -12.401
104 HZ2 LYS 17 HZ2 LYS 17 21.451 -0.421 -13.117
105 HZ3 LYS 17 HZ3 LYS 17 19.760 -0.436 -13.290
106 H CYS 18 HN CYS 18 20.808 5.280 -6.731
107 HA CYS 18 HA CYS 18 19.319 7.109 -8.502
108 HB2 CYS 18 HB2 CYS 18 18.774 7.090 -5.551
109 HB3 CYS 18 HB1 CYS 18 17.771 7.702 -6.867
110 H DBB 19 HN DBB 19 22.049 6.517 -6.768
111 HA DBB 19 HA DBB 19 22.857 9.300 -6.852
112 HB2 DBB 19 HB2 DBB 19 24.644 7.345 -5.556
113 HG1 DBB 19 HG1 DBB 19 26.270 8.412 -6.974
114 HG2 DBB 19 HG2 DBB 19 25.214 9.684 -6.361
115 HG3 DBB 19 HG3 DBB 19 25.011 9.086 -8.008
116 H LYS 20 HN LYS 20 21.808 6.977 -4.487
117 HA LYS 20 HA LYS 20 22.638 8.663 -2.246
118 HB2 LYS 20 HB2 LYS 20 20.501 9.644 -2.898
119 HB3 LYS 20 HB1 LYS 20 19.737 8.053 -2.866
120 HG2 LYS 20 HG2 LYS 20 19.231 9.179 -0.778
121 HG3 LYS 20 HG1 LYS 20 20.367 7.871 -0.441
122 HD2 LYS 20 HD2 LYS 20 22.241 9.485 -0.509
123 HD3 LYS 20 HD1 LYS 20 21.093 10.791 -0.810
124 HE2 LYS 20 HE2 LYS 20 19.987 10.336 1.337
125 HE3 LYS 20 HE1 LYS 20 21.098 9.000 1.637
126 HZ1 LYS 20 HZ1 LYS 20 21.615 11.890 1.658
127 HZ2 LYS 20 HZ2 LYS 20 22.878 10.834 1.235
128 HZ3 LYS 20 HZ3 LYS 20 22.123 10.697 2.751
129 H GLY 21 HN GLY 21 22.675 7.578 -0.268
130 HA2 GLY 21 HA2 GLY 21 21.934 5.666 1.087
131 HA3 GLY 21 HA1 GLY 21 22.025 4.691 -0.378
132 H ARG 22 HN ARG 22 23.340 3.738 1.752
133 HA ARG 22 HA ARG 22 26.170 4.213 1.057
134 HB2 ARG 22 HB2 ARG 22 25.010 3.873 3.831
135 HB3 ARG 22 HB1 ARG 22 26.734 3.862 3.460
136 HG2 ARG 22 HG2 ARG 22 26.589 6.132 2.561
137 HG3 ARG 22 HG1 ARG 22 24.847 6.150 2.831
138 HD2 ARG 22 HD2 ARG 22 25.952 7.322 4.662
139 HD3 ARG 22 HD1 ARG 22 25.251 5.824 5.265
140 HE ARG 22 HE ARG 22 27.413 4.983 5.599
141 HH11 ARG 22 HH11 ARG 22 27.428 7.979 3.860
142 HH12 ARG 22 HH12 ARG 22 29.136 8.219 4.022
143 HH21 ARG 22 HH21 ARG 22 29.649 5.297 5.816
144 HH22 ARG 22 HH22 ARG 22 30.392 6.703 5.128
145 H GLY 23 HN GLY 23 27.504 2.404 1.098
146 HA2 GLY 23 HA2 GLY 23 27.760 0.053 1.920
147 HA3 GLY 23 HA1 GLY 23 26.100 -0.189 1.387
148 HA PRO 24 HA PRO 24 29.483 -0.797 -2.029
149 HB2 PRO 24 HB2 PRO 24 29.151 -3.686 -1.481
150 HB3 PRO 24 HB1 PRO 24 30.634 -2.750 -1.734
151 HG2 PRO 24 HG2 PRO 24 29.926 -3.694 0.674
152 HG3 PRO 24 HG1 PRO 24 30.806 -2.169 0.469
153 HD2 PRO 24 HD2 PRO 24 27.912 -2.606 1.104
154 HD3 PRO 24 HD1 PRO 24 29.009 -1.318 1.654
155 H GLY 25 HN GLY 25 28.854 -1.260 -4.119
156 HA2 GLY 25 HA2 GLY 25 27.555 -2.164 -5.846
157 HA3 GLY 25 HA1 GLY 25 26.492 -2.885 -4.641
158 H GLY 26 HN GLY 26 25.744 -1.370 -7.014
159 HA2 GLY 26 HA2 GLY 26 24.158 0.189 -7.610
160 HA3 GLY 26 HA1 GLY 26 23.707 0.255 -5.908
161 H CYS 27 HN CYS 27 23.406 2.592 -6.716
162 HA CYS 27 HA CYS 27 25.562 4.285 -7.271
163 HB2 CYS 27 HB2 CYS 27 22.830 4.590 -6.930
164 HB3 CYS 27 HB1 CYS 27 23.511 5.517 -5.593
165 H TYR 28 HN TYR 28 25.934 6.210 -5.573
166 HA TYR 28 HA TYR 28 27.300 6.743 -3.790
167 HB2 TYR 28 HB2 TYR 28 26.286 6.252 -1.619
168 HB3 TYR 28 HB1 TYR 28 25.051 6.754 -2.775
169 HD1 TYR 28 HD1 TYR 28 26.446 3.939 -0.865
170 HD2 TYR 28 HD2 TYR 28 23.465 5.142 -3.713
171 HE1 TYR 28 HE1 TYR 28 25.251 1.797 -0.517
172 HE2 TYR 28 HE2 TYR 28 22.269 2.999 -3.364
173 HH TYR 28 HH TYR 28 23.142 0.802 -0.809
Start of MODEL 12
1 H1 CYS 1 HT1 CYS 1 13.464 -7.849 0.534
2 H2 CYS 1 HT2 CYS 1 12.616 -6.866 1.630
3 H3 CYS 1 HT3 CYS 1 13.689 -8.052 2.203
4 HA CYS 1 HA CYS 1 14.361 -5.514 2.031
5 HB2 CYS 1 HB2 CYS 1 15.659 -7.572 2.865
6 HB3 CYS 1 HB1 CYS 1 16.321 -7.670 1.234
7 H CYS 2 HN CYS 2 14.916 -3.992 0.569
8 HA CYS 2 HA CYS 2 14.858 -4.749 -2.268
9 HB2 CYS 2 HB2 CYS 2 15.132 -1.938 -1.946
10 HB3 CYS 2 HB1 CYS 2 13.718 -2.836 -2.497
11 H ILE 3 HN ILE 3 16.900 -3.208 0.154
12 HA ILE 3 HA ILE 3 19.094 -3.018 -1.805
13 HB ILE 3 HB ILE 3 18.981 -1.852 0.980
14 HG12 ILE 3 HG12 ILE 3 18.373 -0.492 -1.660
15 HG13 ILE 3 HG11 ILE 3 17.141 -1.036 -0.520
16 HG21 ILE 3 HG21 ILE 3 20.674 -0.282 -0.200
17 HG22 ILE 3 HG22 ILE 3 20.774 -1.544 -1.427
18 HG23 ILE 3 HG23 ILE 3 21.227 -1.897 0.241
19 HD11 ILE 3 HD11 ILE 3 18.906 0.402 1.074
20 HD12 ILE 3 HD12 ILE 3 17.355 0.986 0.467
21 HD13 ILE 3 HD13 ILE 3 18.839 1.342 -0.418
22 H DBB 4 HN DBB 4 17.875 -5.112 0.394
23 HA DBB 4 HA DBB 4 19.581 -7.095 0.430
24 HB2 DBB 4 HB2 DBB 4 18.303 -7.781 2.161
25 HG1 DBB 4 HG1 DBB 4 18.670 -6.967 4.432
26 HG2 DBB 4 HG2 DBB 4 19.458 -5.512 3.816
27 HG3 DBB 4 HG3 DBB 4 20.233 -7.085 3.625
28 H GLY 5 HN GLY 5 20.086 -4.263 2.522
29 HA2 GLY 5 HA2 GLY 5 22.934 -5.037 2.757
30 HA3 GLY 5 HA1 GLY 5 22.462 -3.385 2.371
31 H GLU 6 HN GLU 6 21.749 -2.026 3.988
32 HA GLU 6 HA GLU 6 21.622 -3.150 6.718
33 HB2 GLU 6 HB2 GLU 6 23.095 -0.674 5.803
34 HB3 GLU 6 HB1 GLU 6 22.759 -1.045 7.494
35 HG2 GLU 6 HG2 GLU 6 23.999 -3.146 7.311
36 HG3 GLU 6 HG1 GLU 6 24.277 -2.855 5.595
37 H SER 7 HN SER 7 20.092 -1.448 4.315
38 HA SER 7 HA SER 7 17.867 -0.769 5.937
39 HB2 SER 7 HB2 SER 7 19.908 1.143 6.024
40 HB3 SER 7 HB1 SER 7 18.737 1.786 4.877
41 HG SER 7 HG SER 7 17.674 2.320 6.612
42 HA PRO 8 HA PRO 8 17.179 -1.440 1.401
43 HB2 PRO 8 HB2 PRO 8 14.666 -2.551 1.927
44 HB3 PRO 8 HB1 PRO 8 16.169 -3.461 1.700
45 HG2 PRO 8 HG2 PRO 8 14.785 -2.684 4.207
46 HG3 PRO 8 HG1 PRO 8 15.692 -4.158 3.823
47 HD2 PRO 8 HD2 PRO 8 16.750 -2.207 5.371
48 HD3 PRO 8 HD1 PRO 8 17.755 -3.165 4.260
49 H GLY 9 HN GLY 9 14.897 -0.279 3.872
50 HA2 GLY 9 HA2 GLY 9 13.104 1.205 3.678
51 HA3 GLY 9 HA1 GLY 9 14.410 2.234 3.098
52 H DAL 10 HN DAL 10 13.510 -0.581 1.262
53 HA DAL 10 HA DAL 10 11.603 0.714 -0.441
54 HB1 DAL 10 HB2 DAL 10 12.352 -1.330 -1.959
55 HB2 DAL 10 HB3 DAL 10 11.335 -1.576 -0.541
56 H ALA 11 HN ALA 11 13.812 2.382 -0.212
57 HA ALA 11 HA ALA 11 14.936 3.789 -1.673
58 HB1 ALA 11 HB1 ALA 11 16.387 1.525 -1.032
59 HB2 ALA 11 HB2 ALA 11 17.032 2.981 -1.790
60 HB3 ALA 11 HB3 ALA 11 16.538 1.613 -2.788
61 HA PRO 12 HA PRO 12 12.584 2.231 -5.432
62 HB2 PRO 12 HB2 PRO 12 10.991 4.469 -5.645
63 HB3 PRO 12 HB1 PRO 12 10.533 3.006 -4.756
64 HG2 PRO 12 HG2 PRO 12 11.580 5.591 -3.736
65 HG3 PRO 12 HG1 PRO 12 10.369 4.505 -3.037
66 HD2 PRO 12 HD2 PRO 12 12.950 4.626 -2.137
67 HD3 PRO 12 HD1 PRO 12 11.957 3.156 -2.036
68 H DBB 13 HN DBB 13 14.309 5.056 -4.474
69 HA DBB 13 HA DBB 13 14.459 6.640 -6.709
70 HB2 DBB 13 HB2 DBB 13 15.071 4.784 -8.076
71 HG1 DBB 13 HG1 DBB 13 17.254 3.521 -7.376
72 HG2 DBB 13 HG2 DBB 13 15.714 3.085 -6.635
73 HG3 DBB 13 HG3 DBB 13 16.851 4.111 -5.765
74 H ASN 14 HN ASN 14 15.947 5.131 -4.003
75 HA ASN 14 HA ASN 14 17.734 7.464 -3.662
76 HB2 ASN 14 HB2 ASN 14 15.724 7.381 -2.139
77 HB3 ASN 14 HB1 ASN 14 16.388 5.898 -1.453
78 HD21 ASN 14 HD21 ASN 14 16.749 6.929 0.643
79 HD22 ASN 14 HD22 ASN 14 17.994 8.071 0.857
80 H ASP 15 HN ASP 15 18.084 4.554 -4.686
81 HA ASP 15 HA ASP 15 20.519 4.059 -3.121
82 HB2 ASP 15 HB2 ASP 15 18.815 2.594 -2.149
83 HB3 ASP 15 HB1 ASP 15 18.451 1.943 -3.747
84 H TYR 16 HN TYR 16 19.534 1.502 -5.116
85 HA TYR 16 HA TYR 16 21.735 1.574 -6.802
86 HB2 TYR 16 HB2 TYR 16 20.627 -0.098 -8.115
87 HB3 TYR 16 HB1 TYR 16 20.162 -0.366 -6.435
88 HD1 TYR 16 HD1 TYR 16 19.033 0.666 -9.756
89 HD2 TYR 16 HD2 TYR 16 17.918 0.308 -5.624
90 HE1 TYR 16 HE1 TYR 16 16.649 0.936 -10.377
91 HE2 TYR 16 HE2 TYR 16 15.532 0.577 -6.244
92 HH TYR 16 HH TYR 16 14.329 0.124 -9.153
93 H LYS 17 HN LYS 17 22.114 2.312 -8.857
94 HA LYS 17 HA LYS 17 22.097 4.114 -10.344
95 HB2 LYS 17 HB2 LYS 17 19.524 2.605 -10.853
96 HB3 LYS 17 HB1 LYS 17 20.199 3.802 -11.962
97 HG2 LYS 17 HG2 LYS 17 22.277 2.494 -12.126
98 HG3 LYS 17 HG1 LYS 17 21.621 1.300 -11.008
99 HD2 LYS 17 HD2 LYS 17 19.786 0.824 -12.585
100 HD3 LYS 17 HD1 LYS 17 20.443 2.014 -13.710
101 HE2 LYS 17 HE2 LYS 17 22.536 0.720 -13.865
102 HE3 LYS 17 HE1 LYS 17 21.887 -0.469 -12.735
103 HZ1 LYS 17 HZ1 LYS 17 20.674 0.226 -15.354
104 HZ2 LYS 17 HZ2 LYS 17 20.136 -0.977 -14.281
105 HZ3 LYS 17 HZ3 LYS 17 21.635 -1.140 -15.064
106 H CYS 18 HN CYS 18 21.006 4.811 -7.717
107 HA CYS 18 HA CYS 18 19.401 7.118 -8.571
108 HB2 CYS 18 HB2 CYS 18 18.515 4.921 -6.830
109 HB3 CYS 18 HB1 CYS 18 18.249 6.531 -6.165
110 H DBB 19 HN DBB 19 21.571 5.580 -6.322
111 HA DBB 19 HA DBB 19 22.889 7.973 -5.644
112 HB2 DBB 19 HB2 DBB 19 23.683 5.500 -5.457
113 HG1 DBB 19 HG1 DBB 19 22.076 4.600 -3.951
114 HG2 DBB 19 HG2 DBB 19 22.251 5.948 -2.831
115 HG3 DBB 19 HG3 DBB 19 23.551 4.771 -3.006
116 H LYS 20 HN LYS 20 22.720 9.375 -3.969
117 HA LYS 20 HA LYS 20 21.835 10.430 -2.117
118 HB2 LYS 20 HB2 LYS 20 19.377 9.140 -3.313
119 HB3 LYS 20 HB1 LYS 20 19.307 10.248 -1.943
120 HG2 LYS 20 HG2 LYS 20 20.366 12.008 -3.266
121 HG3 LYS 20 HG1 LYS 20 20.553 10.903 -4.629
122 HD2 LYS 20 HD2 LYS 20 18.595 12.159 -5.124
123 HD3 LYS 20 HD1 LYS 20 18.004 10.606 -4.532
124 HE2 LYS 20 HE2 LYS 20 17.559 11.525 -2.346
125 HE3 LYS 20 HE1 LYS 20 18.366 13.038 -2.761
126 HZ1 LYS 20 HZ1 LYS 20 16.053 12.062 -4.313
127 HZ2 LYS 20 HZ2 LYS 20 16.670 13.640 -4.206
128 HZ3 LYS 20 HZ3 LYS 20 15.835 12.960 -2.892
129 H GLY 21 HN GLY 21 22.863 7.650 -1.853
130 HA2 GLY 21 HA2 GLY 21 22.057 7.193 0.861
131 HA3 GLY 21 HA1 GLY 21 21.408 5.972 -0.230
132 H ARG 22 HN ARG 22 23.045 5.038 1.653
133 HA ARG 22 HA ARG 22 25.673 4.706 0.335
134 HB2 ARG 22 HB2 ARG 22 25.760 5.686 2.610
135 HB3 ARG 22 HB1 ARG 22 24.947 4.252 3.240
136 HG2 ARG 22 HG2 ARG 22 26.800 2.842 2.398
137 HG3 ARG 22 HG1 ARG 22 27.621 4.287 1.808
138 HD2 ARG 22 HD2 ARG 22 27.596 5.179 4.157
139 HD3 ARG 22 HD1 ARG 22 26.951 3.626 4.688
140 HE ARG 22 HE ARG 22 29.380 3.370 3.155
141 HH11 ARG 22 HH11 ARG 22 27.994 4.002 6.261
142 HH12 ARG 22 HH12 ARG 22 29.385 3.467 7.144
143 HH21 ARG 22 HH21 ARG 22 31.209 2.670 4.305
144 HH22 ARG 22 HH22 ARG 22 31.206 2.714 6.036
145 H GLY 23 HN GLY 23 26.244 2.739 -0.372
146 HA2 GLY 23 HA2 GLY 23 25.921 0.263 0.588
147 HA3 GLY 23 HA1 GLY 23 24.333 0.555 -0.112
148 HA PRO 24 HA PRO 24 26.337 -1.103 -3.745
149 HB2 PRO 24 HB2 PRO 24 24.118 -1.166 -5.321
150 HB3 PRO 24 HB1 PRO 24 24.415 -2.348 -4.032
151 HG2 PRO 24 HG2 PRO 24 22.646 0.045 -4.034
152 HG3 PRO 24 HG1 PRO 24 22.373 -1.561 -3.340
153 HD2 PRO 24 HD2 PRO 24 23.152 0.617 -1.852
154 HD3 PRO 24 HD1 PRO 24 23.512 -1.063 -1.395
155 H GLY 25 HN GLY 25 26.850 -0.393 -5.890
156 HA2 GLY 25 HA2 GLY 25 27.431 2.294 -6.211
157 HA3 GLY 25 HA1 GLY 25 27.305 1.150 -7.543
158 H GLY 26 HN GLY 26 26.485 3.046 -8.735
159 HA2 GLY 26 HA2 GLY 26 24.622 3.867 -9.876
160 HA3 GLY 26 HA1 GLY 26 23.586 3.079 -8.687
161 H CYS 27 HN CYS 27 26.158 5.019 -7.472
162 HA CYS 27 HA CYS 27 24.187 6.983 -6.550
163 HB2 CYS 27 HB2 CYS 27 26.332 5.647 -5.288
164 HB3 CYS 27 HB1 CYS 27 26.790 7.344 -5.392
165 H TYR 28 HN TYR 28 24.294 9.102 -6.947
166 HA TYR 28 HA TYR 28 26.557 10.473 -7.936
167 HB2 TYR 28 HB2 TYR 28 25.844 10.847 -10.253
168 HB3 TYR 28 HB1 TYR 28 26.112 9.128 -9.958
169 HD1 TYR 28 HD1 TYR 28 23.978 11.271 -11.575
170 HD2 TYR 28 HD2 TYR 28 23.843 8.036 -8.748
171 HE1 TYR 28 HE1 TYR 28 21.635 10.794 -12.228
172 HE2 TYR 28 HE2 TYR 28 21.506 7.560 -9.404
173 HH TYR 28 HH TYR 28 19.570 8.929 -10.434
Start of MODEL 13
1 H1 CYS 1 HT1 CYS 1 12.764 -8.443 1.412
2 H2 CYS 1 HT2 CYS 1 12.542 -8.312 3.091
3 H3 CYS 1 HT3 CYS 1 13.678 -9.410 2.465
4 HA CYS 1 HA CYS 1 14.088 -6.765 3.230
5 HB2 CYS 1 HB2 CYS 1 16.271 -7.456 3.223
6 HB3 CYS 1 HB1 CYS 1 15.531 -9.046 3.045
7 H CYS 2 HN CYS 2 13.980 -4.913 2.135
8 HA CYS 2 HA CYS 2 13.485 -4.905 -0.712
9 HB2 CYS 2 HB2 CYS 2 12.591 -3.282 1.176
10 HB3 CYS 2 HB1 CYS 2 14.083 -2.408 0.822
11 H ILE 3 HN ILE 3 14.904 -4.474 -2.313
12 HA ILE 3 HA ILE 3 16.932 -4.231 -3.364
13 HB ILE 3 HB ILE 3 16.482 -1.936 -1.948
14 HG12 ILE 3 HG12 ILE 3 18.493 -1.065 -3.239
15 HG13 ILE 3 HG11 ILE 3 18.801 -2.732 -3.723
16 HG21 ILE 3 HG21 ILE 3 18.097 -3.081 -0.202
17 HG22 ILE 3 HG22 ILE 3 18.281 -1.367 -0.571
18 HG23 ILE 3 HG23 ILE 3 19.353 -2.551 -1.318
19 HD11 ILE 3 HD11 ILE 3 16.318 -1.092 -4.302
20 HD12 ILE 3 HD12 ILE 3 16.442 -2.823 -4.616
21 HD13 ILE 3 HD13 ILE 3 17.493 -1.696 -5.471
22 H DBB 4 HN DBB 4 16.574 -5.920 -0.702
23 HA DBB 4 HA DBB 4 18.555 -7.648 -0.722
24 HB2 DBB 4 HB2 DBB 4 18.594 -7.598 1.835
25 HG1 DBB 4 HG1 DBB 4 17.695 -4.996 1.428
26 HG2 DBB 4 HG2 DBB 4 17.647 -5.873 2.958
27 HG3 DBB 4 HG3 DBB 4 16.236 -5.867 1.900
28 H GLY 5 HN GLY 5 18.963 -4.349 0.518
29 HA2 GLY 5 HA2 GLY 5 21.886 -4.700 0.282
30 HA3 GLY 5 HA1 GLY 5 21.037 -3.170 0.080
31 H GLU 6 HN GLU 6 22.523 -2.306 1.670
32 HA GLU 6 HA GLU 6 22.017 -3.207 4.434
33 HB2 GLU 6 HB2 GLU 6 24.054 -2.078 5.043
34 HB3 GLU 6 HB1 GLU 6 24.391 -3.060 3.617
35 HG2 GLU 6 HG2 GLU 6 24.090 -1.078 2.178
36 HG3 GLU 6 HG1 GLU 6 23.762 -0.095 3.604
37 H SER 7 HN SER 7 20.973 -0.946 2.245
38 HA SER 7 HA SER 7 20.864 1.421 3.785
39 HB2 SER 7 HB2 SER 7 19.858 2.273 1.957
40 HB3 SER 7 HB1 SER 7 20.153 0.703 1.213
41 HG SER 7 HG SER 7 18.113 0.082 1.714
42 HA PRO 8 HA PRO 8 17.558 1.134 6.650
43 HB2 PRO 8 HB2 PRO 8 15.825 2.912 5.002
44 HB3 PRO 8 HB1 PRO 8 16.345 3.089 6.689
45 HG2 PRO 8 HG2 PRO 8 17.390 4.573 4.739
46 HG3 PRO 8 HG1 PRO 8 18.358 4.019 6.113
47 HD2 PRO 8 HD2 PRO 8 18.367 3.042 3.289
48 HD3 PRO 8 HD1 PRO 8 19.697 3.106 4.468
49 H GLY 9 HN GLY 9 16.437 0.994 3.285
50 HA2 GLY 9 HA2 GLY 9 15.402 -1.463 3.095
51 HA3 GLY 9 HA1 GLY 9 14.129 -0.641 3.992
52 H DAL 10 HN DAL 10 12.856 -1.231 2.036
53 HA DAL 10 HA DAL 10 11.596 -0.263 0.323
54 HB1 DAL 10 HB2 DAL 10 14.353 -0.800 -0.756
55 HB2 DAL 10 HB3 DAL 10 13.076 -0.175 -1.800
56 H ALA 11 HN ALA 11 14.493 1.224 -0.905
57 HA ALA 11 HA ALA 11 13.373 3.874 -0.230
58 HB1 ALA 11 HB1 ALA 11 15.673 3.099 0.741
59 HB2 ALA 11 HB2 ALA 11 15.510 4.727 0.080
60 HB3 ALA 11 HB3 ALA 11 16.265 3.456 -0.880
61 HA PRO 12 HA PRO 12 13.202 3.118 -4.865
62 HB2 PRO 12 HB2 PRO 12 10.869 4.909 -4.440
63 HB3 PRO 12 HB1 PRO 12 10.984 3.410 -5.379
64 HG2 PRO 12 HG2 PRO 12 9.742 3.563 -2.993
65 HG3 PRO 12 HG1 PRO 12 10.530 2.094 -3.583
66 HD2 PRO 12 HD2 PRO 12 11.387 3.952 -1.439
67 HD3 PRO 12 HD1 PRO 12 11.794 2.242 -1.683
68 H DBB 13 HN DBB 13 14.109 4.496 -6.310
69 HA DBB 13 HA DBB 13 13.901 7.332 -6.184
70 HB2 DBB 13 HB2 DBB 13 14.320 6.649 -8.340
71 HG1 DBB 13 HG1 DBB 13 14.685 4.376 -8.327
72 HG2 DBB 13 HG2 DBB 13 15.844 4.470 -7.001
73 HG3 DBB 13 HG3 DBB 13 16.339 4.902 -8.635
74 H ASN 14 HN ASN 14 15.402 5.300 -4.164
75 HA ASN 14 HA ASN 14 17.561 7.223 -3.531
76 HB2 ASN 14 HB2 ASN 14 15.729 7.196 -1.866
77 HB3 ASN 14 HB1 ASN 14 15.979 5.466 -1.637
78 HD21 ASN 14 HD21 ASN 14 16.297 7.197 0.570
79 HD22 ASN 14 HD22 ASN 14 17.947 7.274 0.981
80 H ASP 15 HN ASP 15 16.644 3.886 -3.955
81 HA ASP 15 HA ASP 15 19.453 3.083 -3.477
82 HB2 ASP 15 HB2 ASP 15 16.869 1.592 -3.002
83 HB3 ASP 15 HB1 ASP 15 18.432 0.780 -3.080
84 H TYR 16 HN TYR 16 20.304 1.432 -4.855
85 HA TYR 16 HA TYR 16 20.354 0.084 -6.775
86 HB2 TYR 16 HB2 TYR 16 17.710 0.518 -6.722
87 HB3 TYR 16 HB1 TYR 16 18.127 1.532 -8.104
88 HD1 TYR 16 HD1 TYR 16 16.490 -1.096 -8.105
89 HD2 TYR 16 HD2 TYR 16 20.637 -0.233 -8.811
90 HE1 TYR 16 HE1 TYR 16 16.665 -3.115 -9.532
91 HE2 TYR 16 HE2 TYR 16 20.815 -2.253 -10.240
92 HH TYR 16 HH TYR 16 18.678 -3.671 -11.682
93 H LYS 17 HN LYS 17 21.041 3.102 -6.179
94 HA LYS 17 HA LYS 17 22.649 4.422 -7.242
95 HB2 LYS 17 HB2 LYS 17 21.909 3.002 -9.812
96 HB3 LYS 17 HB1 LYS 17 23.316 4.023 -9.514
97 HG2 LYS 17 HG2 LYS 17 24.126 2.437 -7.809
98 HG3 LYS 17 HG1 LYS 17 22.730 1.403 -8.104
99 HD2 LYS 17 HD2 LYS 17 23.431 1.073 -10.426
100 HD3 LYS 17 HD1 LYS 17 24.798 2.161 -10.187
101 HE2 LYS 17 HE2 LYS 17 25.571 -0.144 -9.985
102 HE3 LYS 17 HE1 LYS 17 25.649 0.633 -8.404
103 HZ1 LYS 17 HZ1 LYS 17 23.985 -1.544 -9.307
104 HZ2 LYS 17 HZ2 LYS 17 23.152 -0.356 -8.424
105 HZ3 LYS 17 HZ3 LYS 17 24.492 -1.144 -7.739
106 H CYS 18 HN CYS 18 19.953 5.092 -6.717
107 HA CYS 18 HA CYS 18 18.897 6.477 -9.038
108 HB2 CYS 18 HB2 CYS 18 17.548 5.412 -7.172
109 HB3 CYS 18 HB1 CYS 18 18.008 6.790 -6.182
110 H DBB 19 HN DBB 19 21.119 7.111 -6.531
111 HA DBB 19 HA DBB 19 20.919 10.022 -7.019
112 HB2 DBB 19 HB2 DBB 19 23.553 9.729 -6.519
113 HG1 DBB 19 HG1 DBB 19 23.351 9.262 -9.279
114 HG2 DBB 19 HG2 DBB 19 23.392 10.833 -8.482
115 HG3 DBB 19 HG3 DBB 19 21.845 10.073 -8.849
116 H LYS 20 HN LYS 20 20.666 7.621 -4.776
117 HA LYS 20 HA LYS 20 21.796 9.218 -2.575
118 HB2 LYS 20 HB2 LYS 20 18.935 8.261 -2.778
119 HB3 LYS 20 HB1 LYS 20 19.675 8.843 -1.287
120 HG2 LYS 20 HG2 LYS 20 20.134 11.010 -2.314
121 HG3 LYS 20 HG1 LYS 20 19.503 10.439 -3.859
122 HD2 LYS 20 HD2 LYS 20 17.707 11.652 -2.881
123 HD3 LYS 20 HD1 LYS 20 17.318 9.955 -2.597
124 HE2 LYS 20 HE2 LYS 20 18.104 10.071 -0.324
125 HE3 LYS 20 HE1 LYS 20 18.781 11.679 -0.584
126 HZ1 LYS 20 HZ1 LYS 20 16.055 11.661 -1.305
127 HZ2 LYS 20 HZ2 LYS 20 16.832 12.579 -0.106
128 HZ3 LYS 20 HZ3 LYS 20 16.218 11.037 0.262
129 H GLY 21 HN GLY 21 21.984 8.020 -0.559
130 HA2 GLY 21 HA2 GLY 21 21.499 5.622 0.314
131 HA3 GLY 21 HA1 GLY 21 22.481 5.163 -1.073
132 H ARG 22 HN ARG 22 22.975 4.780 1.811
133 HA ARG 22 HA ARG 22 25.283 6.515 2.317
134 HB2 ARG 22 HB2 ARG 22 23.889 4.436 4.014
135 HB3 ARG 22 HB1 ARG 22 25.314 5.340 4.529
136 HG2 ARG 22 HG2 ARG 22 24.103 7.456 4.230
137 HG3 ARG 22 HG1 ARG 22 22.680 6.575 3.673
138 HD2 ARG 22 HD2 ARG 22 23.953 6.160 6.387
139 HD3 ARG 22 HD1 ARG 22 22.590 7.239 6.102
140 HE ARG 22 HE ARG 22 21.935 4.717 5.048
141 HH11 ARG 22 HH11 ARG 22 22.610 6.267 8.066
142 HH12 ARG 22 HH12 ARG 22 21.604 5.204 8.993
143 HH21 ARG 22 HH21 ARG 22 20.616 3.318 6.256
144 HH22 ARG 22 HH22 ARG 22 20.475 3.534 7.969
145 H GLY 23 HN GLY 23 24.654 3.645 0.761
146 HA2 GLY 23 HA2 GLY 23 27.000 2.174 1.600
147 HA3 GLY 23 HA1 GLY 23 25.902 1.739 0.294
148 HA PRO 24 HA PRO 24 29.913 3.817 -1.242
149 HB2 PRO 24 HB2 PRO 24 31.342 1.588 -1.941
150 HB3 PRO 24 HB1 PRO 24 31.471 2.373 -0.355
151 HG2 PRO 24 HG2 PRO 24 29.974 -0.071 -1.141
152 HG3 PRO 24 HG1 PRO 24 30.864 0.280 0.349
153 HD2 PRO 24 HD2 PRO 24 28.128 0.421 0.153
154 HD3 PRO 24 HD1 PRO 24 29.077 1.366 1.319
155 H GLY 25 HN GLY 25 30.187 4.233 -3.404
156 HA2 GLY 25 HA2 GLY 25 29.824 4.177 -5.678
157 HA3 GLY 25 HA1 GLY 25 29.569 2.441 -5.515
158 H GLY 26 HN GLY 26 27.973 3.221 -7.303
159 HA2 GLY 26 HA2 GLY 26 25.763 3.338 -7.940
160 HA3 GLY 26 HA1 GLY 26 25.344 2.963 -6.270
161 H CYS 27 HN CYS 27 27.321 5.728 -7.082
162 HA CYS 27 HA CYS 27 27.013 7.970 -6.683
163 HB2 CYS 27 HB2 CYS 27 25.291 8.956 -7.902
164 HB3 CYS 27 HB1 CYS 27 25.458 7.398 -8.710
165 H TYR 28 HN TYR 28 25.873 5.767 -4.731
166 HA TYR 28 HA TYR 28 23.736 6.762 -3.277
167 HB2 TYR 28 HB2 TYR 28 26.200 5.304 -2.290
168 HB3 TYR 28 HB1 TYR 28 24.738 5.548 -1.338
169 HD1 TYR 28 HD1 TYR 28 23.549 5.357 -4.560
170 HD2 TYR 28 HD2 TYR 28 25.310 2.834 -1.562
171 HE1 TYR 28 HE1 TYR 28 22.523 3.378 -5.630
172 HE2 TYR 28 HE2 TYR 28 24.280 0.849 -2.634
173 HH TYR 28 HH TYR 28 23.326 0.619 -5.533
Start of MODEL 14
1 H1 CYS 1 HT1 CYS 1 14.210 -7.612 0.128
2 H2 CYS 1 HT2 CYS 1 15.209 -8.769 -0.611
3 H3 CYS 1 HT3 CYS 1 14.380 -7.630 -1.559
4 HA CYS 1 HA CYS 1 16.070 -6.450 0.451
5 HB2 CYS 1 HB2 CYS 1 17.118 -8.667 -0.821
6 HB3 CYS 1 HB1 CYS 1 17.693 -7.342 -1.816
7 H CYS 2 HN CYS 2 15.018 -4.590 -0.145
8 HA CYS 2 HA CYS 2 14.505 -3.757 -2.803
9 HB2 CYS 2 HB2 CYS 2 14.571 -2.419 -0.133
10 HB3 CYS 2 HB1 CYS 2 14.571 -1.403 -1.575
11 H ILE 3 HN ILE 3 17.154 -3.052 -0.553
12 HA ILE 3 HA ILE 3 18.719 -2.006 -2.833
13 HB ILE 3 HB ILE 3 18.873 -1.265 0.099
14 HG12 ILE 3 HG12 ILE 3 18.254 0.499 -2.281
15 HG13 ILE 3 HG11 ILE 3 16.989 -0.328 -1.376
16 HG21 ILE 3 HG21 ILE 3 21.101 -1.315 -0.948
17 HG22 ILE 3 HG22 ILE 3 20.596 0.350 -0.654
18 HG23 ILE 3 HG23 ILE 3 20.507 -0.325 -2.280
19 HD11 ILE 3 HD11 ILE 3 17.208 1.043 0.432
20 HD12 ILE 3 HD12 ILE 3 17.926 2.147 -0.739
21 HD13 ILE 3 HD13 ILE 3 18.961 1.140 0.272
22 H DBB 4 HN DBB 4 18.608 -4.126 -0.073
23 HA DBB 4 HA DBB 4 21.338 -5.074 -0.673
24 HB2 DBB 4 HB2 DBB 4 19.432 -6.477 -1.696
25 HG1 DBB 4 HG1 DBB 4 21.660 -7.360 -1.593
26 HG2 DBB 4 HG2 DBB 4 20.594 -8.611 -0.953
27 HG3 DBB 4 HG3 DBB 4 21.545 -7.616 0.148
28 H GLY 5 HN GLY 5 18.986 -4.192 1.637
29 HA2 GLY 5 HA2 GLY 5 18.854 -4.446 3.945
30 HA3 GLY 5 HA1 GLY 5 20.112 -5.675 3.853
31 H GLU 6 HN GLU 6 20.585 -2.563 2.359
32 HA GLU 6 HA GLU 6 22.612 -1.946 4.409
33 HB2 GLU 6 HB2 GLU 6 23.800 -0.724 2.712
34 HB3 GLU 6 HB1 GLU 6 23.394 -2.306 2.047
35 HG2 GLU 6 HG2 GLU 6 21.403 -1.318 0.950
36 HG3 GLU 6 HG1 GLU 6 21.860 0.264 1.577
37 H SER 7 HN SER 7 19.553 -1.122 3.442
38 HA SER 7 HA SER 7 19.766 1.457 4.792
39 HB2 SER 7 HB2 SER 7 19.144 2.741 3.041
40 HB3 SER 7 HB1 SER 7 19.688 1.387 2.055
41 HG SER 7 HG SER 7 17.409 2.274 1.843
42 HA PRO 8 HA PRO 8 15.771 0.914 6.567
43 HB2 PRO 8 HB2 PRO 8 14.377 2.618 4.554
44 HB3 PRO 8 HB1 PRO 8 14.397 2.748 6.323
45 HG2 PRO 8 HG2 PRO 8 15.784 4.421 4.775
46 HG3 PRO 8 HG1 PRO 8 16.384 3.885 6.354
47 HD2 PRO 8 HD2 PRO 8 17.277 3.073 3.625
48 HD3 PRO 8 HD1 PRO 8 18.207 3.171 5.134
49 H GLY 9 HN GLY 9 15.607 0.848 3.022
50 HA2 GLY 9 HA2 GLY 9 15.038 -1.338 2.009
51 HA3 GLY 9 HA1 GLY 9 13.749 -1.451 3.204
52 H DAL 10 HN DAL 10 13.088 -1.737 0.586
53 HA DAL 10 HA DAL 10 10.919 -0.323 0.038
54 HB1 DAL 10 HB2 DAL 10 12.828 -0.441 -2.252
55 HB2 DAL 10 HB3 DAL 10 11.124 -0.892 -2.186
56 H ALA 11 HN ALA 11 14.151 0.894 -0.865
57 HA ALA 11 HA ALA 11 13.039 3.626 -0.722
58 HB1 ALA 11 HB1 ALA 11 14.999 2.727 0.825
59 HB2 ALA 11 HB2 ALA 11 15.015 4.373 0.190
60 HB3 ALA 11 HB3 ALA 11 15.975 3.117 -0.592
61 HA PRO 12 HA PRO 12 14.032 2.735 -5.183
62 HB2 PRO 12 HB2 PRO 12 12.007 4.471 -6.009
63 HB3 PRO 12 HB1 PRO 12 11.855 2.711 -5.854
64 HG2 PRO 12 HG2 PRO 12 10.983 4.859 -4.001
65 HG3 PRO 12 HG1 PRO 12 10.229 3.296 -4.359
66 HD2 PRO 12 HD2 PRO 12 11.609 3.720 -2.061
67 HD3 PRO 12 HD1 PRO 12 11.592 2.137 -2.872
68 H DBB 13 HN DBB 13 15.272 4.018 -6.492
69 HA DBB 13 HA DBB 13 15.267 6.851 -6.501
70 HB2 DBB 13 HB2 DBB 13 16.187 5.912 -8.432
71 HG1 DBB 13 HG1 DBB 13 16.750 3.729 -8.266
72 HG2 DBB 13 HG2 DBB 13 17.121 3.882 -6.548
73 HG3 DBB 13 HG3 DBB 13 18.340 4.293 -7.752
74 H ASN 14 HN ASN 14 16.317 4.651 -4.230
75 HA ASN 14 HA ASN 14 18.239 6.568 -3.056
76 HB2 ASN 14 HB2 ASN 14 15.903 6.479 -1.994
77 HB3 ASN 14 HB1 ASN 14 16.348 4.865 -1.434
78 HD21 ASN 14 HD21 ASN 14 16.553 5.386 0.817
79 HD22 ASN 14 HD22 ASN 14 17.735 6.461 1.404
80 H ASP 15 HN ASP 15 20.172 5.698 -2.701
81 HA ASP 15 HA ASP 15 21.821 4.171 -2.218
82 HB2 ASP 15 HB2 ASP 15 19.738 2.126 -1.512
83 HB3 ASP 15 HB1 ASP 15 21.339 2.366 -0.817
84 H TYR 16 HN TYR 16 19.267 1.898 -3.185
85 HA TYR 16 HA TYR 16 20.979 0.550 -5.027
86 HB2 TYR 16 HB2 TYR 16 18.973 -0.401 -3.745
87 HB3 TYR 16 HB1 TYR 16 17.974 0.355 -4.983
88 HD1 TYR 16 HD1 TYR 16 21.027 -1.802 -4.682
89 HD2 TYR 16 HD2 TYR 16 17.471 -0.871 -6.905
90 HE1 TYR 16 HE1 TYR 16 21.474 -3.715 -6.202
91 HE2 TYR 16 HE2 TYR 16 17.918 -2.780 -8.422
92 HH TYR 16 HH TYR 16 19.556 -4.245 -9.100
93 H LYS 17 HN LYS 17 21.408 1.004 -7.083
94 HA LYS 17 HA LYS 17 21.332 1.988 -9.154
95 HB2 LYS 17 HB2 LYS 17 18.385 1.795 -8.532
96 HB3 LYS 17 HB1 LYS 17 19.002 2.353 -10.088
97 HG2 LYS 17 HG2 LYS 17 20.241 0.234 -10.358
98 HG3 LYS 17 HG1 LYS 17 19.620 -0.327 -8.805
99 HD2 LYS 17 HD2 LYS 17 17.316 -0.183 -9.658
100 HD3 LYS 17 HD1 LYS 17 17.918 0.413 -11.206
101 HE2 LYS 17 HE2 LYS 17 19.169 -1.683 -11.537
102 HE3 LYS 17 HE1 LYS 17 18.585 -2.281 -9.985
103 HZ1 LYS 17 HZ1 LYS 17 17.078 -3.183 -11.441
104 HZ2 LYS 17 HZ2 LYS 17 17.103 -1.844 -12.488
105 HZ3 LYS 17 HZ3 LYS 17 16.279 -1.752 -11.004
106 H CYS 18 HN CYS 18 20.745 3.592 -6.410
107 HA CYS 18 HA CYS 18 20.715 6.187 -7.787
108 HB2 CYS 18 HB2 CYS 18 18.679 5.154 -5.955
109 HB3 CYS 18 HB1 CYS 18 19.335 6.713 -5.462
110 H DBB 19 HN DBB 19 22.526 7.194 -7.241
111 HA DBB 19 HA DBB 19 24.400 7.824 -6.072
112 HB2 DBB 19 HB2 DBB 19 23.654 5.275 -4.745
113 HG1 DBB 19 HG1 DBB 19 25.622 7.219 -3.499
114 HG2 DBB 19 HG2 DBB 19 25.271 5.581 -2.941
115 HG3 DBB 19 HG3 DBB 19 24.036 6.835 -2.832
116 H LYS 20 HN LYS 20 21.262 7.821 -4.848
117 HA LYS 20 HA LYS 20 21.835 10.134 -3.203
118 HB2 LYS 20 HB2 LYS 20 19.254 8.712 -3.892
119 HB3 LYS 20 HB1 LYS 20 19.346 10.177 -2.912
120 HG2 LYS 20 HG2 LYS 20 20.438 11.363 -4.773
121 HG3 LYS 20 HG1 LYS 20 20.358 9.903 -5.757
122 HD2 LYS 20 HD2 LYS 20 17.897 9.928 -5.602
123 HD3 LYS 20 HD1 LYS 20 17.972 11.388 -4.615
124 HE2 LYS 20 HE2 LYS 20 19.066 12.592 -6.467
125 HE3 LYS 20 HE1 LYS 20 19.004 11.133 -7.456
126 HZ1 LYS 20 HZ1 LYS 20 17.153 12.884 -7.692
127 HZ2 LYS 20 HZ2 LYS 20 16.544 12.218 -6.254
128 HZ3 LYS 20 HZ3 LYS 20 16.723 11.245 -7.634
129 H GLY 21 HN GLY 21 21.683 6.806 -2.721
130 HA2 GLY 21 HA2 GLY 21 20.994 7.104 0.136
131 HA3 GLY 21 HA1 GLY 21 20.915 5.601 -0.773
132 H ARG 22 HN ARG 22 22.185 5.091 1.342
133 HA ARG 22 HA ARG 22 25.050 5.205 0.650
134 HB2 ARG 22 HB2 ARG 22 23.804 5.745 3.350
135 HB3 ARG 22 HB1 ARG 22 25.521 5.409 3.118
136 HG2 ARG 22 HG2 ARG 22 25.717 7.332 1.609
137 HG3 ARG 22 HG1 ARG 22 23.990 7.656 1.772
138 HD2 ARG 22 HD2 ARG 22 24.284 8.023 4.190
139 HD3 ARG 22 HD1 ARG 22 26.006 7.692 4.035
140 HE ARG 22 HE ARG 22 25.391 9.747 2.239
141 HH11 ARG 22 HH11 ARG 22 25.368 9.111 5.640
142 HH12 ARG 22 HH12 ARG 22 25.658 10.758 6.091
143 HH21 ARG 22 HH21 ARG 22 25.771 11.909 2.821
144 HH22 ARG 22 HH22 ARG 22 25.887 12.343 4.493
145 H GLY 23 HN GLY 23 26.238 3.380 1.163
146 HA2 GLY 23 HA2 GLY 23 25.643 1.307 2.861
147 HA3 GLY 23 HA1 GLY 23 24.758 0.929 1.385
148 HA PRO 24 HA PRO 24 29.270 -0.629 1.351
149 HB2 PRO 24 HB2 PRO 24 27.763 -3.053 0.475
150 HB3 PRO 24 HB1 PRO 24 29.144 -2.919 1.580
151 HG2 PRO 24 HG2 PRO 24 26.684 -3.368 2.487
152 HG3 PRO 24 HG1 PRO 24 27.826 -2.340 3.373
153 HD2 PRO 24 HD2 PRO 24 25.456 -1.543 1.727
154 HD3 PRO 24 HD1 PRO 24 26.123 -0.782 3.190
155 H GLY 25 HN GLY 25 26.508 -1.110 -0.829
156 HA2 GLY 25 HA2 GLY 25 27.910 0.005 -3.065
157 HA3 GLY 25 HA1 GLY 25 27.745 -1.742 -3.206
158 H GLY 26 HN GLY 26 26.494 -0.932 -5.166
159 HA2 GLY 26 HA2 GLY 26 24.406 -1.052 -6.177
160 HA3 GLY 26 HA1 GLY 26 23.674 -1.140 -4.577
161 H CYS 27 HN CYS 27 25.866 1.423 -4.830
162 HA CYS 27 HA CYS 27 24.102 3.453 -4.254
163 HB2 CYS 27 HB2 CYS 27 26.332 4.073 -4.058
164 HB3 CYS 27 HB1 CYS 27 26.765 3.407 -5.631
165 H TYR 28 HN TYR 28 25.519 3.058 -7.507
166 HA TYR 28 HA TYR 28 23.090 4.287 -8.633
167 HB2 TYR 28 HB2 TYR 28 25.949 4.180 -9.431
168 HB3 TYR 28 HB1 TYR 28 24.759 4.176 -10.734
169 HD1 TYR 28 HD1 TYR 28 26.464 6.170 -8.265
170 HD2 TYR 28 HD2 TYR 28 22.956 5.995 -10.736
171 HE1 TYR 28 HE1 TYR 28 26.138 8.610 -7.973
172 HE2 TYR 28 HE2 TYR 28 22.628 8.438 -10.443
173 HH TYR 28 HH TYR 28 24.607 10.300 -8.206
Start of MODEL 15
1 H1 CYS 1 HT1 CYS 1 14.014 -8.725 -0.750
2 H2 CYS 1 HT2 CYS 1 13.542 -8.863 0.876
3 H3 CYS 1 HT3 CYS 1 15.078 -9.396 0.386
4 HA CYS 1 HA CYS 1 14.487 -6.952 1.437
5 HB2 CYS 1 HB2 CYS 1 16.751 -6.834 1.479
6 HB3 CYS 1 HB1 CYS 1 16.711 -8.449 0.784
7 H CYS 2 HN CYS 2 14.964 -4.794 0.508
8 HA CYS 2 HA CYS 2 13.561 -4.470 -2.029
9 HB2 CYS 2 HB2 CYS 2 13.843 -2.921 0.336
10 HB3 CYS 2 HB1 CYS 2 14.555 -1.995 -0.985
11 H ILE 3 HN ILE 3 16.269 -2.518 -0.877
12 HA ILE 3 HA ILE 3 17.448 -2.381 -3.478
13 HB ILE 3 HB ILE 3 19.048 -0.953 -2.504
14 HG12 ILE 3 HG12 ILE 3 18.421 -2.318 0.134
15 HG13 ILE 3 HG11 ILE 3 19.885 -2.541 -0.825
16 HG21 ILE 3 HG21 ILE 3 17.015 -0.520 -0.378
17 HG22 ILE 3 HG22 ILE 3 16.424 -0.492 -2.040
18 HG23 ILE 3 HG23 ILE 3 17.693 0.625 -1.536
19 HD11 ILE 3 HD11 ILE 3 19.391 -0.558 1.145
20 HD12 ILE 3 HD12 ILE 3 19.459 0.270 -0.409
21 HD13 ILE 3 HD13 ILE 3 20.815 -0.726 0.120
22 H DBB 4 HN DBB 4 18.209 -4.108 -0.483
23 HA DBB 4 HA DBB 4 19.912 -5.957 -2.027
24 HB2 DBB 4 HB2 DBB 4 19.400 -7.613 -0.452
25 HG1 DBB 4 HG1 DBB 4 18.411 -5.455 1.424
26 HG2 DBB 4 HG2 DBB 4 20.014 -6.185 1.498
27 HG3 DBB 4 HG3 DBB 4 18.584 -7.172 1.789
28 H GLY 5 HN GLY 5 19.886 -3.616 0.516
29 HA2 GLY 5 HA2 GLY 5 22.720 -4.216 1.130
30 HA3 GLY 5 HA1 GLY 5 22.131 -2.572 0.892
31 H GLU 6 HN GLU 6 22.626 -1.830 2.950
32 HA GLU 6 HA GLU 6 21.272 -3.170 5.204
33 HB2 GLU 6 HB2 GLU 6 22.851 -2.068 6.657
34 HB3 GLU 6 HB1 GLU 6 23.756 -2.836 5.352
35 HG2 GLU 6 HG2 GLU 6 23.813 -0.672 4.140
36 HG3 GLU 6 HG1 GLU 6 22.968 0.087 5.488
37 H SER 7 HN SER 7 20.589 -0.877 3.053
38 HA SER 7 HA SER 7 19.861 1.354 4.679
39 HB2 SER 7 HB2 SER 7 18.444 0.803 2.115
40 HB3 SER 7 HB1 SER 7 19.102 2.316 2.734
41 HG SER 7 HG SER 7 21.214 1.135 2.463
42 HA PRO 8 HA PRO 8 15.841 0.573 6.256
43 HB2 PRO 8 HB2 PRO 8 14.516 2.222 4.154
44 HB3 PRO 8 HB1 PRO 8 14.432 2.364 5.921
45 HG2 PRO 8 HG2 PRO 8 15.849 4.076 4.460
46 HG3 PRO 8 HG1 PRO 8 16.399 3.540 6.056
47 HD2 PRO 8 HD2 PRO 8 17.399 2.738 3.353
48 HD3 PRO 8 HD1 PRO 8 18.290 2.905 4.884
49 H GLY 9 HN GLY 9 15.890 0.479 2.708
50 HA2 GLY 9 HA2 GLY 9 15.427 -1.908 1.901
51 HA3 GLY 9 HA1 GLY 9 13.901 -1.704 2.757
52 H DAL 10 HN DAL 10 12.227 -0.922 1.640
53 HA DAL 10 HA DAL 10 10.995 -0.017 -0.075
54 HB1 DAL 10 HB2 DAL 10 13.512 -0.397 -1.709
55 HB2 DAL 10 HB3 DAL 10 11.868 -0.223 -2.323
56 H ALA 11 HN ALA 11 14.221 1.189 -0.984
57 HA ALA 11 HA ALA 11 13.242 3.919 -0.437
58 HB1 ALA 11 HB1 ALA 11 16.142 3.288 -0.819
59 HB2 ALA 11 HB2 ALA 11 15.374 2.888 0.718
60 HB3 ALA 11 HB3 ALA 11 15.388 4.557 0.146
61 HA PRO 12 HA PRO 12 13.406 3.296 -5.080
62 HB2 PRO 12 HB2 PRO 12 11.425 5.479 -4.864
63 HB3 PRO 12 HB1 PRO 12 11.326 3.954 -5.757
64 HG2 PRO 12 HG2 PRO 12 9.993 4.500 -3.432
65 HG3 PRO 12 HG1 PRO 12 10.343 2.879 -4.043
66 HD2 PRO 12 HD2 PRO 12 11.480 4.255 -1.724
67 HD3 PRO 12 HD1 PRO 12 11.585 2.543 -2.174
68 H DBB 13 HN DBB 13 14.575 4.596 -6.465
69 HA DBB 13 HA DBB 13 14.906 7.388 -6.229
70 HB2 DBB 13 HB2 DBB 13 15.423 6.272 -8.303
71 HG1 DBB 13 HG1 DBB 13 17.847 4.924 -7.782
72 HG2 DBB 13 HG2 DBB 13 16.291 4.214 -8.213
73 HG3 DBB 13 HG3 DBB 13 16.721 4.430 -6.516
74 H ASN 14 HN ASN 14 16.378 4.667 -4.678
75 HA ASN 14 HA ASN 14 18.606 6.169 -3.579
76 HB2 ASN 14 HB2 ASN 14 16.598 6.835 -2.207
77 HB3 ASN 14 HB1 ASN 14 16.450 5.145 -1.718
78 HD21 ASN 14 HD21 ASN 14 16.965 7.120 0.245
79 HD22 ASN 14 HD22 ASN 14 18.554 6.924 0.823
80 H ASP 15 HN ASP 15 17.823 3.561 -5.025
81 HA ASP 15 HA ASP 15 19.227 1.731 -3.168
82 HB2 ASP 15 HB2 ASP 15 18.001 -0.111 -4.151
83 HB3 ASP 15 HB1 ASP 15 16.859 1.111 -3.599
84 H TYR 16 HN TYR 16 21.287 2.072 -3.893
85 HA TYR 16 HA TYR 16 23.045 2.218 -5.425
86 HB2 TYR 16 HB2 TYR 16 23.472 -0.032 -6.375
87 HB3 TYR 16 HB1 TYR 16 23.020 -0.097 -4.674
88 HD1 TYR 16 HD1 TYR 16 21.891 -0.726 -8.134
89 HD2 TYR 16 HD2 TYR 16 20.895 -1.029 -3.966
90 HE1 TYR 16 HE1 TYR 16 19.999 -2.230 -8.694
91 HE2 TYR 16 HE2 TYR 16 19.002 -2.531 -4.527
92 HH TYR 16 HH TYR 16 17.609 -2.772 -7.299
93 H LYS 17 HN LYS 17 20.507 3.300 -6.506
94 HA LYS 17 HA LYS 17 21.288 3.271 -9.308
95 HB2 LYS 17 HB2 LYS 17 18.741 2.079 -8.293
96 HB3 LYS 17 HB1 LYS 17 18.723 2.944 -9.831
97 HG2 LYS 17 HG2 LYS 17 20.505 1.520 -10.698
98 HG3 LYS 17 HG1 LYS 17 20.641 0.698 -9.142
99 HD2 LYS 17 HD2 LYS 17 18.328 -0.116 -9.355
100 HD3 LYS 17 HD1 LYS 17 18.167 0.720 -10.899
101 HE2 LYS 17 HE2 LYS 17 19.984 -0.645 -11.842
102 HE3 LYS 17 HE1 LYS 17 20.177 -1.470 -10.296
103 HZ1 LYS 17 HZ1 LYS 17 18.709 -2.911 -11.129
104 HZ2 LYS 17 HZ2 LYS 17 18.189 -1.845 -12.345
105 HZ3 LYS 17 HZ3 LYS 17 17.539 -1.734 -10.780
106 H CYS 18 HN CYS 18 21.062 5.143 -6.956
107 HA CYS 18 HA CYS 18 19.881 7.344 -8.438
108 HB2 CYS 18 HB2 CYS 18 18.426 6.006 -6.329
109 HB3 CYS 18 HB1 CYS 18 18.773 7.676 -5.882
110 H DBB 19 HN DBB 19 22.494 7.144 -7.976
111 HA DBB 19 HA DBB 19 23.348 9.437 -6.830
112 HB2 DBB 19 HB2 DBB 19 24.750 6.756 -6.744
113 HG1 DBB 19 HG1 DBB 19 26.777 8.459 -6.736
114 HG2 DBB 19 HG2 DBB 19 26.001 7.992 -5.222
115 HG3 DBB 19 HG3 DBB 19 25.596 9.531 -5.983
116 H LYS 20 HN LYS 20 22.104 6.685 -5.180
117 HA LYS 20 HA LYS 20 23.032 7.721 -2.579
118 HB2 LYS 20 HB2 LYS 20 20.170 7.151 -3.365
119 HB3 LYS 20 HB1 LYS 20 20.706 7.379 -1.699
120 HG2 LYS 20 HG2 LYS 20 21.559 9.619 -2.273
121 HG3 LYS 20 HG1 LYS 20 21.030 9.396 -3.942
122 HD2 LYS 20 HD2 LYS 20 18.698 9.162 -3.181
123 HD3 LYS 20 HD1 LYS 20 19.219 9.377 -1.509
124 HE2 LYS 20 HE2 LYS 20 20.079 11.621 -2.059
125 HE3 LYS 20 HE1 LYS 20 19.566 11.410 -3.733
126 HZ1 LYS 20 HZ1 LYS 20 18.035 12.613 -2.027
127 HZ2 LYS 20 HZ2 LYS 20 17.603 11.030 -1.586
128 HZ3 LYS 20 HZ3 LYS 20 17.368 11.564 -3.181
129 H GLY 21 HN GLY 21 22.989 6.192 -0.867
130 HA2 GLY 21 HA2 GLY 21 22.186 3.826 -0.321
131 HA3 GLY 21 HA1 GLY 21 23.015 3.393 -1.813
132 H ARG 22 HN ARG 22 23.622 2.351 0.777
133 HA ARG 22 HA ARG 22 26.368 3.395 1.111
134 HB2 ARG 22 HB2 ARG 22 24.939 4.003 3.039
135 HB3 ARG 22 HB1 ARG 22 24.582 2.294 3.291
136 HG2 ARG 22 HG2 ARG 22 26.966 1.826 3.641
137 HG3 ARG 22 HG1 ARG 22 27.354 3.522 3.346
138 HD2 ARG 22 HD2 ARG 22 25.511 2.567 5.550
139 HD3 ARG 22 HD1 ARG 22 27.218 2.927 5.784
140 HE ARG 22 HE ARG 22 26.165 5.190 4.610
141 HH11 ARG 22 HH11 ARG 22 25.533 3.262 7.412
142 HH12 ARG 22 HH12 ARG 22 24.944 4.587 8.361
143 HH21 ARG 22 HH21 ARG 22 25.396 6.932 5.848
144 HH22 ARG 22 HH22 ARG 22 24.867 6.665 7.476
145 H GLY 23 HN GLY 23 27.973 1.922 1.068
146 HA2 GLY 23 HA2 GLY 23 28.841 -0.285 1.564
147 HA3 GLY 23 HA1 GLY 23 27.249 -0.940 1.191
148 HA PRO 24 HA PRO 24 28.939 -1.802 -2.802
149 HB2 PRO 24 HB2 PRO 24 26.636 -2.544 -4.047
150 HB3 PRO 24 HB1 PRO 24 27.440 -3.561 -2.834
151 HG2 PRO 24 HG2 PRO 24 25.083 -1.760 -2.534
152 HG3 PRO 24 HG1 PRO 24 25.362 -3.376 -1.861
153 HD2 PRO 24 HD2 PRO 24 25.706 -1.072 -0.410
154 HD3 PRO 24 HD1 PRO 24 26.606 -2.570 -0.083
155 H GLY 25 HN GLY 25 29.072 -0.886 -4.868
156 HA2 GLY 25 HA2 GLY 25 28.294 1.856 -5.080
157 HA3 GLY 25 HA1 GLY 25 29.096 0.905 -6.326
158 H GLY 26 HN GLY 26 26.880 2.815 -6.587
159 HA2 GLY 26 HA2 GLY 26 25.353 1.641 -8.551
160 HA3 GLY 26 HA1 GLY 26 24.458 1.359 -7.061
161 H CYS 27 HN CYS 27 25.348 3.661 -9.459
162 HA CYS 27 HA CYS 27 23.813 5.741 -8.020
163 HB2 CYS 27 HB2 CYS 27 26.339 6.116 -8.514
164 HB3 CYS 27 HB1 CYS 27 25.809 6.368 -10.177
165 H TYR 28 HN TYR 28 21.897 6.112 -8.899
166 HA TYR 28 HA TYR 28 20.268 6.519 -10.457
167 HB2 TYR 28 HB2 TYR 28 22.552 6.350 -12.438
168 HB3 TYR 28 HB1 TYR 28 20.916 6.891 -12.811
169 HD1 TYR 28 HD1 TYR 28 24.015 8.161 -12.376
170 HD2 TYR 28 HD2 TYR 28 20.099 8.569 -10.660
171 HE1 TYR 28 HE1 TYR 28 24.593 10.446 -11.605
172 HE2 TYR 28 HE2 TYR 28 20.675 10.855 -9.888
173 HH TYR 28 HH TYR 28 23.381 12.000 -9.393
Start of MODEL 16
1 H1 CYS 1 HT1 CYS 1 11.568 -5.918 2.656
2 H2 CYS 1 HT2 CYS 1 12.351 -6.302 4.115
3 H3 CYS 1 HT3 CYS 1 12.437 -7.368 2.796
4 HA CYS 1 HA CYS 1 13.598 -4.637 2.888
5 HB2 CYS 1 HB2 CYS 1 14.776 -6.317 4.307
6 HB3 CYS 1 HB1 CYS 1 14.935 -7.365 2.899
7 H CYS 2 HN CYS 2 14.275 -3.860 0.944
8 HA CYS 2 HA CYS 2 13.514 -5.389 -1.437
9 HB2 CYS 2 HB2 CYS 2 14.181 -3.144 -2.552
10 HB3 CYS 2 HB1 CYS 2 12.710 -3.189 -1.580
11 H ILE 3 HN ILE 3 16.298 -3.422 -0.380
12 HA ILE 3 HA ILE 3 18.040 -4.662 -2.326
13 HB ILE 3 HB ILE 3 18.209 -2.438 -0.376
14 HG12 ILE 3 HG12 ILE 3 19.649 -1.575 -2.322
15 HG13 ILE 3 HG11 ILE 3 19.178 -3.047 -3.173
16 HG21 ILE 3 HG21 ILE 3 20.041 -3.937 0.402
17 HG22 ILE 3 HG22 ILE 3 20.662 -2.458 -0.329
18 HG23 ILE 3 HG23 ILE 3 20.686 -3.966 -1.239
19 HD11 ILE 3 HD11 ILE 3 17.743 -0.729 -3.249
20 HD12 ILE 3 HD12 ILE 3 16.950 -1.562 -1.912
21 HD13 ILE 3 HD13 ILE 3 17.039 -2.326 -3.499
22 H DBB 4 HN DBB 4 16.827 -5.610 0.598
23 HA DBB 4 HA DBB 4 17.914 -7.977 0.992
24 HB2 DBB 4 HB2 DBB 4 16.946 -7.761 3.013
25 HG1 DBB 4 HG1 DBB 4 19.272 -7.414 3.869
26 HG2 DBB 4 HG2 DBB 4 18.060 -6.574 4.838
27 HG3 DBB 4 HG3 DBB 4 19.047 -5.673 3.684
28 H GLY 5 HN GLY 5 19.602 -4.977 1.845
29 HA2 GLY 5 HA2 GLY 5 22.139 -6.507 1.975
30 HA3 GLY 5 HA1 GLY 5 22.022 -4.971 1.122
31 H GLU 6 HN GLU 6 22.830 -3.320 2.233
32 HA GLU 6 HA GLU 6 22.474 -3.292 5.167
33 HB2 GLU 6 HB2 GLU 6 24.904 -2.479 3.560
34 HB3 GLU 6 HB1 GLU 6 24.683 -2.103 5.270
35 HG2 GLU 6 HG2 GLU 6 24.510 -4.485 5.802
36 HG3 GLU 6 HG1 GLU 6 24.646 -4.897 4.093
37 H SER 7 HN SER 7 21.208 -1.991 2.630
38 HA SER 7 HA SER 7 21.507 0.822 3.441
39 HB2 SER 7 HB2 SER 7 20.614 1.412 1.292
40 HB3 SER 7 HB1 SER 7 21.845 0.181 1.028
41 HG SER 7 HG SER 7 19.788 -0.147 -0.079
42 HA PRO 8 HA PRO 8 17.477 1.263 5.095
43 HB2 PRO 8 HB2 PRO 8 16.681 3.245 3.040
44 HB3 PRO 8 HB1 PRO 8 16.844 3.445 4.794
45 HG2 PRO 8 HG2 PRO 8 18.597 4.514 3.086
46 HG3 PRO 8 HG1 PRO 8 19.092 3.886 4.668
47 HD2 PRO 8 HD2 PRO 8 19.411 2.633 1.962
48 HD3 PRO 8 HD1 PRO 8 20.531 2.627 3.343
49 H GLY 9 HN GLY 9 15.378 0.488 4.914
50 HA2 GLY 9 HA2 GLY 9 14.712 -1.479 3.153
51 HA3 GLY 9 HA1 GLY 9 13.504 -0.476 3.949
52 H DAL 10 HN DAL 10 12.686 -1.325 1.616
53 HA DAL 10 HA DAL 10 11.619 -0.308 -0.216
54 HB1 DAL 10 HB2 DAL 10 14.210 0.155 -1.499
55 HB2 DAL 10 HB3 DAL 10 12.906 -0.941 -1.958
56 H ALA 11 HN ALA 11 13.163 1.481 -2.037
57 HA ALA 11 HA ALA 11 12.138 3.938 -1.215
58 HB1 ALA 11 HB1 ALA 11 15.102 4.079 -0.904
59 HB2 ALA 11 HB2 ALA 11 14.159 3.442 0.444
60 HB3 ALA 11 HB3 ALA 11 13.843 5.069 -0.162
61 HA PRO 12 HA PRO 12 13.560 3.263 -5.627
62 HB2 PRO 12 HB2 PRO 12 11.272 4.655 -6.508
63 HB3 PRO 12 HB1 PRO 12 11.476 2.895 -6.472
64 HG2 PRO 12 HG2 PRO 12 10.084 4.680 -4.556
65 HG3 PRO 12 HG1 PRO 12 9.710 3.016 -5.037
66 HD2 PRO 12 HD2 PRO 12 10.840 3.558 -2.641
67 HD3 PRO 12 HD1 PRO 12 11.253 2.092 -3.556
68 H DBB 13 HN DBB 13 14.730 4.738 -6.734
69 HA DBB 13 HA DBB 13 14.197 7.544 -6.703
70 HB2 DBB 13 HB2 DBB 13 15.290 6.954 -8.645
71 HG1 DBB 13 HG1 DBB 13 17.499 5.445 -8.292
72 HG2 DBB 13 HG2 DBB 13 15.900 4.752 -8.544
73 HG3 DBB 13 HG3 DBB 13 16.547 4.900 -6.912
74 H ASN 14 HN ASN 14 15.161 5.619 -4.333
75 HA ASN 14 HA ASN 14 16.902 7.653 -3.079
76 HB2 ASN 14 HB2 ASN 14 14.646 7.555 -2.087
77 HB3 ASN 14 HB1 ASN 14 14.865 5.832 -1.771
78 HD21 ASN 14 HD21 ASN 14 16.394 9.016 -1.036
79 HD22 ASN 14 HD22 ASN 14 16.973 8.544 0.494
80 H ASP 15 HN ASP 15 16.870 4.605 -4.343
81 HA ASP 15 HA ASP 15 19.340 3.887 -3.044
82 HB2 ASP 15 HB2 ASP 15 16.781 2.462 -2.384
83 HB3 ASP 15 HB1 ASP 15 18.307 1.579 -2.398
84 H TYR 16 HN TYR 16 19.972 1.560 -3.795
85 HA TYR 16 HA TYR 16 20.359 0.071 -5.512
86 HB2 TYR 16 HB2 TYR 16 17.881 -0.075 -5.691
87 HB3 TYR 16 HB1 TYR 16 17.911 1.288 -6.811
88 HD1 TYR 16 HD1 TYR 16 19.015 -2.223 -6.303
89 HD2 TYR 16 HD2 TYR 16 18.599 1.020 -9.093
90 HE1 TYR 16 HE1 TYR 16 19.514 -3.769 -8.178
91 HE2 TYR 16 HE2 TYR 16 19.098 -0.528 -10.966
92 HH TYR 16 HH TYR 16 19.658 -4.001 -10.380
93 H LYS 17 HN LYS 17 19.025 2.987 -7.076
94 HA LYS 17 HA LYS 17 21.644 3.685 -8.125
95 HB2 LYS 17 HB2 LYS 17 19.433 2.605 -9.845
96 HB3 LYS 17 HB1 LYS 17 20.569 3.787 -10.494
97 HG2 LYS 17 HG2 LYS 17 22.454 2.348 -9.938
98 HG3 LYS 17 HG1 LYS 17 21.377 1.188 -9.157
99 HD2 LYS 17 HD2 LYS 17 20.202 0.878 -11.345
100 HD3 LYS 17 HD1 LYS 17 21.403 1.930 -12.096
101 HE2 LYS 17 HE2 LYS 17 22.103 -0.589 -10.566
102 HE3 LYS 17 HE1 LYS 17 21.912 -0.531 -12.319
103 HZ1 LYS 17 HZ1 LYS 17 24.232 -0.268 -11.597
104 HZ2 LYS 17 HZ2 LYS 17 23.805 1.152 -10.769
105 HZ3 LYS 17 HZ3 LYS 17 23.668 1.078 -12.460
106 H CYS 18 HN CYS 18 20.740 5.347 -6.498
107 HA CYS 18 HA CYS 18 19.707 7.579 -8.068
108 HB2 CYS 18 HB2 CYS 18 17.982 6.086 -6.394
109 HB3 CYS 18 HB1 CYS 18 18.316 7.598 -5.560
110 H DBB 19 HN DBB 19 22.250 7.269 -7.133
111 HA DBB 19 HA DBB 19 22.852 9.608 -5.840
112 HB2 DBB 19 HB2 DBB 19 24.362 6.993 -5.603
113 HG1 DBB 19 HG1 DBB 19 25.192 8.553 -3.969
114 HG2 DBB 19 HG2 DBB 19 25.136 9.882 -5.126
115 HG3 DBB 19 HG3 DBB 19 26.315 8.586 -5.328
116 H LYS 20 HN LYS 20 21.523 6.737 -4.476
117 HA LYS 20 HA LYS 20 21.997 7.780 -1.750
118 HB2 LYS 20 HB2 LYS 20 19.427 6.682 -2.907
119 HB3 LYS 20 HB1 LYS 20 19.691 6.973 -1.188
120 HG2 LYS 20 HG2 LYS 20 19.980 9.092 -3.335
121 HG3 LYS 20 HG1 LYS 20 18.538 8.878 -2.343
122 HD2 LYS 20 HD2 LYS 20 19.866 9.261 -0.308
123 HD3 LYS 20 HD1 LYS 20 21.322 9.451 -1.286
124 HE2 LYS 20 HE2 LYS 20 20.310 11.386 -2.429
125 HE3 LYS 20 HE1 LYS 20 18.851 11.200 -1.458
126 HZ1 LYS 20 HZ1 LYS 20 21.169 12.588 -0.800
127 HZ2 LYS 20 HZ2 LYS 20 21.098 11.242 0.234
128 HZ3 LYS 20 HZ3 LYS 20 19.798 12.336 0.170
129 H GLY 21 HN GLY 21 22.295 6.276 -0.128
130 HA2 GLY 21 HA2 GLY 21 21.870 3.781 0.372
131 HA3 GLY 21 HA1 GLY 21 22.861 3.537 -1.065
132 H ARG 22 HN ARG 22 22.903 3.816 2.266
133 HA ARG 22 HA ARG 22 25.406 5.078 2.716
134 HB2 ARG 22 HB2 ARG 22 23.782 3.125 4.350
135 HB3 ARG 22 HB1 ARG 22 25.286 3.845 4.928
136 HG2 ARG 22 HG2 ARG 22 24.351 6.094 4.625
137 HG3 ARG 22 HG1 ARG 22 22.854 5.400 4.002
138 HD2 ARG 22 HD2 ARG 22 22.499 4.241 6.153
139 HD3 ARG 22 HD1 ARG 22 23.990 4.943 6.773
140 HE ARG 22 HE ARG 22 22.899 7.012 6.966
141 HH11 ARG 22 HH11 ARG 22 20.971 4.652 5.318
142 HH12 ARG 22 HH12 ARG 22 19.515 5.585 5.400
143 HH21 ARG 22 HH21 ARG 22 20.993 8.241 7.066
144 HH22 ARG 22 HH22 ARG 22 19.527 7.615 6.386
145 H GLY 23 HN GLY 23 24.455 1.723 2.148
146 HA2 GLY 23 HA2 GLY 23 27.198 0.785 2.460
147 HA3 GLY 23 HA1 GLY 23 25.785 -0.210 2.129
148 HA PRO 24 HA PRO 24 27.913 -0.296 -1.855
149 HB2 PRO 24 HB2 PRO 24 26.425 -2.390 -2.828
150 HB3 PRO 24 HB1 PRO 24 27.847 -2.589 -1.786
151 HG2 PRO 24 HG2 PRO 24 24.955 -2.680 -1.083
152 HG3 PRO 24 HG1 PRO 24 26.293 -3.678 -0.492
153 HD2 PRO 24 HD2 PRO 24 25.257 -1.616 0.959
154 HD3 PRO 24 HD1 PRO 24 26.964 -2.096 1.066
155 H GLY 25 HN GLY 25 24.568 0.130 -1.087
156 HA2 GLY 25 HA2 GLY 25 22.967 0.326 -3.112
157 HA3 GLY 25 HA1 GLY 25 23.219 1.785 -2.159
158 H GLY 26 HN GLY 26 22.890 0.944 -5.189
159 HA2 GLY 26 HA2 GLY 26 25.231 2.095 -6.423
160 HA3 GLY 26 HA1 GLY 26 23.754 1.598 -7.241
161 H CYS 27 HN CYS 27 24.742 3.839 -8.189
162 HA CYS 27 HA CYS 27 23.325 6.039 -6.824
163 HB2 CYS 27 HB2 CYS 27 25.859 6.169 -7.343
164 HB3 CYS 27 HB1 CYS 27 25.348 6.420 -9.013
165 H TYR 28 HN TYR 28 22.709 7.811 -8.567
166 HA TYR 28 HA TYR 28 20.485 7.055 -9.920
167 HB2 TYR 28 HB2 TYR 28 20.980 9.001 -11.499
168 HB3 TYR 28 HB1 TYR 28 20.939 9.371 -9.776
169 HD1 TYR 28 HD1 TYR 28 23.170 8.734 -12.669
170 HD2 TYR 28 HD2 TYR 28 22.906 10.067 -8.597
171 HE1 TYR 28 HE1 TYR 28 25.498 9.575 -12.793
172 HE2 TYR 28 HE2 TYR 28 25.234 10.908 -8.720
173 HH TYR 28 HH TYR 28 26.787 11.657 -11.196
Start of MODEL 17
1 H1 CYS 1 HT1 CYS 1 14.624 -7.621 4.578
2 H2 CYS 1 HT2 CYS 1 13.686 -7.916 3.194
3 H3 CYS 1 HT3 CYS 1 13.244 -6.684 4.278
4 HA CYS 1 HA CYS 1 14.627 -5.205 3.382
5 HB2 CYS 1 HB2 CYS 1 16.497 -6.661 4.396
6 HB3 CYS 1 HB1 CYS 1 16.668 -7.350 2.781
7 H CYS 2 HN CYS 2 14.382 -4.380 1.378
8 HA CYS 2 HA CYS 2 13.677 -6.236 -0.784
9 HB2 CYS 2 HB2 CYS 2 12.383 -4.568 -1.653
10 HB3 CYS 2 HB1 CYS 2 12.436 -3.975 0.006
11 H ILE 3 HN ILE 3 15.939 -3.651 0.021
12 HA ILE 3 HA ILE 3 17.400 -4.138 -2.483
13 HB ILE 3 HB ILE 3 16.977 -1.812 -0.755
14 HG12 ILE 3 HG12 ILE 3 17.394 -0.648 -2.854
15 HG13 ILE 3 HG11 ILE 3 18.063 -2.116 -3.569
16 HG21 ILE 3 HG21 ILE 3 19.202 -0.857 -1.034
17 HG22 ILE 3 HG22 ILE 3 19.756 -2.302 -1.874
18 HG23 ILE 3 HG23 ILE 3 19.344 -2.378 -0.162
19 HD11 ILE 3 HD11 ILE 3 15.710 -3.125 -2.860
20 HD12 ILE 3 HD12 ILE 3 15.889 -2.229 -4.367
21 HD13 ILE 3 HD13 ILE 3 15.214 -1.434 -2.946
22 H DBB 4 HN DBB 4 17.342 -5.209 0.624
23 HA DBB 4 HA DBB 4 19.372 -6.888 0.726
24 HB2 DBB 4 HB2 DBB 4 18.809 -6.940 2.910
25 HG1 DBB 4 HG1 DBB 4 19.888 -4.126 3.233
26 HG2 DBB 4 HG2 DBB 4 20.924 -5.552 3.197
27 HG3 DBB 4 HG3 DBB 4 19.732 -5.360 4.483
28 H GLY 5 HN GLY 5 19.831 -3.429 1.438
29 HA2 GLY 5 HA2 GLY 5 22.696 -3.748 0.751
30 HA3 GLY 5 HA1 GLY 5 21.747 -2.353 0.250
31 H GLU 6 HN GLU 6 21.789 -0.602 1.528
32 HA GLU 6 HA GLU 6 22.613 -0.951 4.345
33 HB2 GLU 6 HB2 GLU 6 24.469 -0.010 3.033
34 HB3 GLU 6 HB1 GLU 6 23.415 1.289 2.473
35 HG2 GLU 6 HG2 GLU 6 24.700 2.141 4.333
36 HG3 GLU 6 HG1 GLU 6 23.039 1.923 4.882
37 H SER 7 HN SER 7 20.351 0.248 2.142
38 HA SER 7 HA SER 7 18.891 1.554 4.313
39 HB2 SER 7 HB2 SER 7 18.646 3.617 3.280
40 HB3 SER 7 HB1 SER 7 20.308 3.217 2.857
41 HG SER 7 HG SER 7 19.719 2.855 0.838
42 HA PRO 8 HA PRO 8 16.404 -1.353 1.625
43 HB2 PRO 8 HB2 PRO 8 15.090 -1.679 4.274
44 HB3 PRO 8 HB1 PRO 8 15.603 -2.912 3.105
45 HG2 PRO 8 HG2 PRO 8 16.944 -2.473 5.373
46 HG3 PRO 8 HG1 PRO 8 17.761 -2.932 3.870
47 HD2 PRO 8 HD2 PRO 8 17.644 -0.263 5.208
48 HD3 PRO 8 HD1 PRO 8 18.945 -0.983 4.233
49 H GLY 9 HN GLY 9 13.705 -1.505 2.748
50 HA2 GLY 9 HA2 GLY 9 11.735 -0.280 2.946
51 HA3 GLY 9 HA1 GLY 9 12.681 1.205 2.877
52 H DAL 10 HN DAL 10 13.344 -1.115 0.446
53 HA DAL 10 HA DAL 10 11.492 0.122 -1.467
54 HB1 DAL 10 HB2 DAL 10 12.321 -1.714 -2.983
55 HB2 DAL 10 HB3 DAL 10 11.502 -2.283 -1.530
56 H ALA 11 HN ALA 11 13.742 1.627 -0.442
57 HA ALA 11 HA ALA 11 15.391 3.026 -1.210
58 HB1 ALA 11 HB1 ALA 11 16.044 0.647 -2.965
59 HB2 ALA 11 HB2 ALA 11 16.694 0.955 -1.354
60 HB3 ALA 11 HB3 ALA 11 17.095 2.036 -2.690
61 HA PRO 12 HA PRO 12 12.776 3.746 -5.073
62 HB2 PRO 12 HB2 PRO 12 11.312 5.848 -4.079
63 HB3 PRO 12 HB1 PRO 12 10.782 4.156 -4.010
64 HG2 PRO 12 HG2 PRO 12 11.968 5.856 -1.887
65 HG3 PRO 12 HG1 PRO 12 10.728 4.598 -1.770
66 HD2 PRO 12 HD2 PRO 12 13.359 4.217 -1.054
67 HD3 PRO 12 HD1 PRO 12 12.276 2.908 -1.572
68 H DBB 13 HN DBB 13 15.424 4.511 -4.538
69 HA DBB 13 HA DBB 13 15.434 7.374 -5.300
70 HB2 DBB 13 HB2 DBB 13 17.064 6.961 -6.923
71 HG1 DBB 13 HG1 DBB 13 15.967 4.217 -7.150
72 HG2 DBB 13 HG2 DBB 13 15.955 5.531 -8.330
73 HG3 DBB 13 HG3 DBB 13 14.761 5.498 -7.031
74 H ASN 14 HN ASN 14 16.529 4.959 -3.182
75 HA ASN 14 HA ASN 14 18.615 6.756 -2.108
76 HB2 ASN 14 HB2 ASN 14 16.761 6.939 -0.634
77 HB3 ASN 14 HB1 ASN 14 16.463 5.202 -0.685
78 HD21 ASN 14 HD21 ASN 14 16.789 4.815 1.587
79 HD22 ASN 14 HD22 ASN 14 18.302 5.028 2.339
80 H ASP 15 HN ASP 15 17.803 3.653 -3.236
81 HA ASP 15 HA ASP 15 20.459 2.665 -2.605
82 HB2 ASP 15 HB2 ASP 15 18.407 2.084 -0.820
83 HB3 ASP 15 HB1 ASP 15 18.498 0.654 -1.849
84 H TYR 16 HN TYR 16 20.055 3.060 -5.056
85 HA TYR 16 HA TYR 16 20.083 0.627 -6.392
86 HB2 TYR 16 HB2 TYR 16 17.640 0.613 -5.697
87 HB3 TYR 16 HB1 TYR 16 17.412 1.979 -6.788
88 HD1 TYR 16 HD1 TYR 16 19.857 -0.715 -7.419
89 HD2 TYR 16 HD2 TYR 16 15.952 0.818 -8.341
90 HE1 TYR 16 HE1 TYR 16 19.696 -2.278 -9.338
91 HE2 TYR 16 HE2 TYR 16 15.792 -0.743 -10.263
92 HH TYR 16 HH TYR 16 16.721 -2.706 -11.118
93 H LYS 17 HN LYS 17 21.805 1.875 -7.269
94 HA LYS 17 HA LYS 17 22.818 3.229 -8.824
95 HB2 LYS 17 HB2 LYS 17 20.167 2.802 -10.227
96 HB3 LYS 17 HB1 LYS 17 21.632 3.425 -10.987
97 HG2 LYS 17 HG2 LYS 17 22.816 1.327 -10.364
98 HG3 LYS 17 HG1 LYS 17 21.312 0.705 -9.688
99 HD2 LYS 17 HD2 LYS 17 20.220 0.909 -11.885
100 HD3 LYS 17 HD1 LYS 17 21.715 1.541 -12.573
101 HE2 LYS 17 HE2 LYS 17 22.872 -0.561 -12.000
102 HE3 LYS 17 HE1 LYS 17 21.378 -1.197 -11.314
103 HZ1 LYS 17 HZ1 LYS 17 20.749 -1.826 -13.323
104 HZ2 LYS 17 HZ2 LYS 17 22.206 -1.247 -13.978
105 HZ3 LYS 17 HZ3 LYS 17 20.846 -0.231 -13.892
106 H CYS 18 HN CYS 18 20.530 4.282 -6.861
107 HA CYS 18 HA CYS 18 19.566 6.694 -7.991
108 HB2 CYS 18 HB2 CYS 18 20.082 6.071 -5.072
109 HB3 CYS 18 HB1 CYS 18 18.943 7.256 -5.721
110 H DBB 19 HN DBB 19 22.423 5.854 -6.125
111 HA DBB 19 HA DBB 19 23.412 8.624 -6.315
112 HB2 DBB 19 HB2 DBB 19 25.688 7.069 -6.583
113 HG1 DBB 19 HG1 DBB 19 24.744 9.232 -7.759
114 HG2 DBB 19 HG2 DBB 19 24.243 8.088 -9.006
115 HG3 DBB 19 HG3 DBB 19 25.947 8.236 -8.580
116 H LYS 20 HN LYS 20 22.609 6.030 -4.486
117 HA LYS 20 HA LYS 20 24.347 6.890 -2.264
118 HB2 LYS 20 HB2 LYS 20 21.970 7.229 -1.846
119 HB3 LYS 20 HB1 LYS 20 21.633 5.548 -2.253
120 HG2 LYS 20 HG2 LYS 20 21.728 5.787 0.174
121 HG3 LYS 20 HG1 LYS 20 23.107 4.834 -0.374
122 HD2 LYS 20 HD2 LYS 20 24.550 6.810 -0.280
123 HD3 LYS 20 HD1 LYS 20 23.175 7.814 0.182
124 HE2 LYS 20 HE2 LYS 20 22.893 6.504 2.244
125 HE3 LYS 20 HE1 LYS 20 24.250 5.475 1.784
126 HZ1 LYS 20 HZ1 LYS 20 25.484 6.943 2.892
127 HZ2 LYS 20 HZ2 LYS 20 24.253 8.115 2.918
128 HZ3 LYS 20 HZ3 LYS 20 25.266 7.971 1.561
129 H GLY 21 HN GLY 21 25.040 5.219 -0.740
130 HA2 GLY 21 HA2 GLY 21 26.360 3.077 -1.957
131 HA3 GLY 21 HA1 GLY 21 26.064 3.222 -0.228
132 H ARG 22 HN ARG 22 26.069 0.769 -1.545
133 HA ARG 22 HA ARG 22 23.383 -0.170 -0.932
134 HB2 ARG 22 HB2 ARG 22 24.490 -0.039 -3.686
135 HB3 ARG 22 HB1 ARG 22 23.630 -1.510 -3.237
136 HG2 ARG 22 HG2 ARG 22 21.677 -0.205 -2.574
137 HG3 ARG 22 HG1 ARG 22 22.539 1.297 -2.909
138 HD2 ARG 22 HD2 ARG 22 22.051 -0.841 -4.993
139 HD3 ARG 22 HD1 ARG 22 20.986 0.539 -4.756
140 HE ARG 22 HE ARG 22 23.506 0.565 -6.103
141 HH11 ARG 22 HH11 ARG 22 21.432 2.364 -3.999
142 HH12 ARG 22 HH12 ARG 22 22.007 3.912 -4.523
143 HH21 ARG 22 HH21 ARG 22 24.243 2.601 -6.822
144 HH22 ARG 22 HH22 ARG 22 23.598 4.045 -6.121
145 H GLY 23 HN GLY 23 23.610 -2.720 -2.001
146 HA2 GLY 23 HA2 GLY 23 25.743 -3.827 -0.304
147 HA3 GLY 23 HA1 GLY 23 24.317 -4.693 -0.865
148 HA PRO 24 HA PRO 24 26.419 -6.618 -4.186
149 HB2 PRO 24 HB2 PRO 24 24.470 -5.395 -6.085
150 HB3 PRO 24 HB1 PRO 24 24.881 -7.102 -5.831
151 HG2 PRO 24 HG2 PRO 24 22.592 -6.077 -4.939
152 HG3 PRO 24 HG1 PRO 24 23.478 -7.312 -4.026
153 HD2 PRO 24 HD2 PRO 24 23.249 -4.378 -3.491
154 HD3 PRO 24 HD1 PRO 24 23.403 -5.729 -2.343
155 H GLY 25 HN GLY 25 25.436 -3.271 -4.870
156 HA2 GLY 25 HA2 GLY 25 27.705 -1.964 -5.232
157 HA3 GLY 25 HA1 GLY 25 27.682 -2.914 -6.715
158 H GLY 26 HN GLY 26 27.554 -0.018 -6.426
159 HA2 GLY 26 HA2 GLY 26 25.489 0.537 -8.302
160 HA3 GLY 26 HA1 GLY 26 25.022 1.099 -6.699
161 H CYS 27 HN CYS 27 25.135 3.115 -8.272
162 HA CYS 27 HA CYS 27 27.629 4.255 -8.929
163 HB2 CYS 27 HB2 CYS 27 26.348 6.408 -8.990
164 HB3 CYS 27 HB1 CYS 27 25.598 5.110 -9.920
165 H TYR 28 HN TYR 28 25.490 4.863 -6.145
166 HA TYR 28 HA TYR 28 25.926 5.646 -4.032
167 HB2 TYR 28 HB2 TYR 28 28.808 4.957 -4.633
168 HB3 TYR 28 HB1 TYR 28 28.061 5.127 -3.045
169 HD1 TYR 28 HD1 TYR 28 29.432 2.678 -3.428
170 HD2 TYR 28 HD2 TYR 28 25.483 3.731 -4.773
171 HE1 TYR 28 HE1 TYR 28 28.805 0.281 -3.468
172 HE2 TYR 28 HE2 TYR 28 24.863 1.332 -4.811
173 HH TYR 28 HH TYR 28 25.646 -0.774 -4.677
Start of MODEL 18
1 H1 CYS 1 HT1 CYS 1 13.230 -8.260 2.485
2 H2 CYS 1 HT2 CYS 1 13.311 -7.499 4.002
3 H3 CYS 1 HT3 CYS 1 14.541 -8.565 3.518
4 HA CYS 1 HA CYS 1 14.285 -5.780 3.040
5 HB2 CYS 1 HB2 CYS 1 16.279 -7.184 3.851
6 HB3 CYS 1 HB1 CYS 1 16.494 -7.646 2.162
7 H CYS 2 HN CYS 2 14.250 -4.654 1.132
8 HA CYS 2 HA CYS 2 13.420 -6.159 -1.239
9 HB2 CYS 2 HB2 CYS 2 12.319 -4.274 -1.901
10 HB3 CYS 2 HB1 CYS 2 12.421 -3.887 -0.183
11 H ILE 3 HN ILE 3 15.856 -3.761 -0.263
12 HA ILE 3 HA ILE 3 17.357 -4.379 -2.729
13 HB ILE 3 HB ILE 3 16.602 -1.946 -2.016
14 HG12 ILE 3 HG12 ILE 3 18.863 -1.146 -3.015
15 HG13 ILE 3 HG11 ILE 3 19.252 -2.863 -3.132
16 HG21 ILE 3 HG21 ILE 3 17.692 -2.221 0.252
17 HG22 ILE 3 HG22 ILE 3 18.217 -0.796 -0.645
18 HG23 ILE 3 HG23 ILE 3 19.251 -2.224 -0.572
19 HD11 ILE 3 HD11 ILE 3 18.252 -2.535 -5.195
20 HD12 ILE 3 HD12 ILE 3 17.165 -1.286 -4.585
21 HD13 ILE 3 HD13 ILE 3 16.841 -2.984 -4.239
22 H DBB 4 HN DBB 4 17.203 -5.404 0.312
23 HA DBB 4 HA DBB 4 19.336 -6.915 0.600
24 HB2 DBB 4 HB2 DBB 4 18.652 -7.012 2.751
25 HG1 DBB 4 HG1 DBB 4 20.528 -5.331 3.196
26 HG2 DBB 4 HG2 DBB 4 19.209 -5.315 4.365
27 HG3 DBB 4 HG3 DBB 4 19.297 -4.072 3.117
28 H GLY 5 HN GLY 5 19.506 -3.442 1.385
29 HA2 GLY 5 HA2 GLY 5 22.416 -3.558 0.848
30 HA3 GLY 5 HA1 GLY 5 21.404 -2.183 0.414
31 H GLU 6 HN GLU 6 21.921 -0.521 1.692
32 HA GLU 6 HA GLU 6 22.421 -1.039 4.555
33 HB2 GLU 6 HB2 GLU 6 24.298 0.010 3.361
34 HB3 GLU 6 HB1 GLU 6 23.239 1.322 2.845
35 HG2 GLU 6 HG2 GLU 6 24.456 2.083 4.787
36 HG3 GLU 6 HG1 GLU 6 22.786 1.807 5.274
37 H SER 7 HN SER 7 20.186 0.172 2.367
38 HA SER 7 HA SER 7 19.086 2.219 4.099
39 HB2 SER 7 HB2 SER 7 17.675 1.096 1.702
40 HB3 SER 7 HB1 SER 7 17.628 2.732 2.352
41 HG SER 7 HG SER 7 20.125 2.306 1.809
42 HA PRO 8 HA PRO 8 16.079 0.026 6.404
43 HB2 PRO 8 HB2 PRO 8 13.896 1.499 5.004
44 HB3 PRO 8 HB1 PRO 8 14.247 1.381 6.739
45 HG2 PRO 8 HG2 PRO 8 14.779 3.595 5.360
46 HG3 PRO 8 HG1 PRO 8 15.834 3.036 6.669
47 HD2 PRO 8 HD2 PRO 8 16.272 2.902 3.714
48 HD3 PRO 8 HD1 PRO 8 17.456 3.105 5.024
49 H GLY 9 HN GLY 9 15.218 0.419 2.983
50 HA2 GLY 9 HA2 GLY 9 15.015 -2.297 2.387
51 HA3 GLY 9 HA1 GLY 9 13.398 -1.750 2.825
52 H DAL 10 HN DAL 10 12.209 -1.241 1.107
53 HA DAL 10 HA DAL 10 11.662 0.128 -0.740
54 HB1 DAL 10 HB2 DAL 10 12.707 -1.065 -2.781
55 HB2 DAL 10 HB3 DAL 10 11.679 -2.012 -1.709
56 H ALA 11 HN ALA 11 12.942 2.006 0.158
57 HA ALA 11 HA ALA 11 14.061 3.881 -0.738
58 HB1 ALA 11 HB1 ALA 11 15.547 2.123 0.889
59 HB2 ALA 11 HB2 ALA 11 15.815 3.850 0.643
60 HB3 ALA 11 HB3 ALA 11 16.640 2.672 -0.380
61 HA PRO 12 HA PRO 12 14.874 1.750 -4.876
62 HB2 PRO 12 HB2 PRO 12 13.330 4.110 -5.777
63 HB3 PRO 12 HB1 PRO 12 13.140 2.403 -6.213
64 HG2 PRO 12 HG2 PRO 12 11.449 3.741 -4.563
65 HG3 PRO 12 HG1 PRO 12 11.711 1.994 -4.501
66 HD2 PRO 12 HD2 PRO 12 12.602 4.095 -2.623
67 HD3 PRO 12 HD1 PRO 12 12.381 2.356 -2.348
68 H DBB 13 HN DBB 13 14.450 5.284 -4.954
69 HA DBB 13 HA DBB 13 15.847 6.933 -5.781
70 HB2 DBB 13 HB2 DBB 13 17.489 6.405 -7.282
71 HG1 DBB 13 HG1 DBB 13 15.391 4.631 -7.284
72 HG2 DBB 13 HG2 DBB 13 16.782 3.547 -7.270
73 HG3 DBB 13 HG3 DBB 13 16.611 4.742 -8.554
74 H ASN 14 HN ASN 14 16.488 4.783 -3.309
75 HA ASN 14 HA ASN 14 18.447 6.641 -2.120
76 HB2 ASN 14 HB2 ASN 14 16.456 6.597 -0.818
77 HB3 ASN 14 HB1 ASN 14 16.360 4.840 -0.903
78 HD21 ASN 14 HD21 ASN 14 17.933 7.542 0.720
79 HD22 ASN 14 HD22 ASN 14 18.753 6.605 1.882
80 H ASP 15 HN ASP 15 18.551 3.925 -3.796
81 HA ASP 15 HA ASP 15 20.958 2.993 -2.472
82 HB2 ASP 15 HB2 ASP 15 19.247 1.747 -1.250
83 HB3 ASP 15 HB1 ASP 15 18.570 1.160 -2.768
84 H TYR 16 HN TYR 16 18.926 0.998 -4.523
85 HA TYR 16 HA TYR 16 21.009 0.572 -6.408
86 HB2 TYR 16 HB2 TYR 16 19.061 -0.983 -5.850
87 HB3 TYR 16 HB1 TYR 16 18.078 0.046 -6.891
88 HD1 TYR 16 HD1 TYR 16 20.584 -2.564 -6.759
89 HD2 TYR 16 HD2 TYR 16 18.764 0.374 -9.312
90 HE1 TYR 16 HE1 TYR 16 21.467 -3.748 -8.749
91 HE2 TYR 16 HE2 TYR 16 19.645 -0.812 -11.303
92 HH TYR 16 HH TYR 16 21.370 -2.358 -11.908
93 H LYS 17 HN LYS 17 21.536 1.633 -8.207
94 HA LYS 17 HA LYS 17 21.460 3.086 -9.984
95 HB2 LYS 17 HB2 LYS 17 18.885 2.063 -9.822
96 HB3 LYS 17 HB1 LYS 17 18.645 3.809 -9.853
97 HG2 LYS 17 HG2 LYS 17 19.981 4.012 -11.863
98 HG3 LYS 17 HG1 LYS 17 20.407 2.304 -11.802
99 HD2 LYS 17 HD2 LYS 17 17.554 3.297 -12.027
100 HD3 LYS 17 HD1 LYS 17 18.542 2.860 -13.422
101 HE2 LYS 17 HE2 LYS 17 18.897 0.599 -12.359
102 HE3 LYS 17 HE1 LYS 17 17.713 1.054 -11.133
103 HZ1 LYS 17 HZ1 LYS 17 17.322 0.356 -13.923
104 HZ2 LYS 17 HZ2 LYS 17 16.390 1.662 -13.359
105 HZ3 LYS 17 HZ3 LYS 17 16.288 0.148 -12.594
106 H CYS 18 HN CYS 18 21.186 3.881 -6.928
107 HA CYS 18 HA CYS 18 21.201 6.761 -7.508
108 HB2 CYS 18 HB2 CYS 18 19.994 6.529 -4.985
109 HB3 CYS 18 HB1 CYS 18 19.236 7.081 -6.479
110 H DBB 19 HN DBB 19 22.264 4.015 -5.737
111 HA DBB 19 HA DBB 19 24.652 5.230 -4.888
112 HB2 DBB 19 HB2 DBB 19 23.579 2.618 -4.896
113 HG1 DBB 19 HG1 DBB 19 24.378 3.542 -2.123
114 HG2 DBB 19 HG2 DBB 19 24.376 1.849 -2.618
115 HG3 DBB 19 HG3 DBB 19 22.868 2.762 -2.593
116 H LYS 20 HN LYS 20 24.563 6.992 -3.643
117 HA LYS 20 HA LYS 20 24.496 8.061 -1.563
118 HB2 LYS 20 HB2 LYS 20 22.122 8.186 -2.965
119 HB3 LYS 20 HB1 LYS 20 21.598 7.672 -1.360
120 HG2 LYS 20 HG2 LYS 20 22.733 9.554 -0.327
121 HG3 LYS 20 HG1 LYS 20 23.437 10.023 -1.874
122 HD2 LYS 20 HD2 LYS 20 21.222 10.492 -2.786
123 HD3 LYS 20 HD1 LYS 20 20.463 9.928 -1.297
124 HE2 LYS 20 HE2 LYS 20 20.576 12.370 -1.278
125 HE3 LYS 20 HE1 LYS 20 21.661 11.721 -0.047
126 HZ1 LYS 20 HZ1 LYS 20 22.321 13.440 -2.091
127 HZ2 LYS 20 HZ2 LYS 20 22.978 11.942 -2.551
128 HZ3 LYS 20 HZ3 LYS 20 23.394 12.632 -1.055
129 H GLY 21 HN GLY 21 24.755 5.082 -1.425
130 HA2 GLY 21 HA2 GLY 21 23.638 4.723 1.294
131 HA3 GLY 21 HA1 GLY 21 23.650 3.418 0.114
132 H ARG 22 HN ARG 22 24.889 3.364 2.703
133 HA ARG 22 HA ARG 22 27.661 3.864 2.634
134 HB2 ARG 22 HB2 ARG 22 26.377 3.404 4.705
135 HB3 ARG 22 HB1 ARG 22 26.187 1.726 4.191
136 HG2 ARG 22 HG2 ARG 22 28.621 1.427 4.184
137 HG3 ARG 22 HG1 ARG 22 28.845 3.116 4.639
138 HD2 ARG 22 HD2 ARG 22 29.019 1.735 6.634
139 HD3 ARG 22 HD1 ARG 22 27.539 2.686 6.722
140 HE ARG 22 HE ARG 22 27.007 0.161 5.528
141 HH11 ARG 22 HH11 ARG 22 27.773 1.692 8.536
142 HH12 ARG 22 HH12 ARG 22 26.970 0.501 9.504
143 HH21 ARG 22 HH21 ARG 22 25.954 -1.405 6.793
144 HH22 ARG 22 HH22 ARG 22 25.941 -1.252 8.519
145 H GLY 23 HN GLY 23 25.774 0.973 1.805
146 HA2 GLY 23 HA2 GLY 23 28.073 -0.624 1.174
147 HA3 GLY 23 HA1 GLY 23 26.398 -1.016 0.801
148 HA PRO 24 HA PRO 24 28.673 1.176 -2.863
149 HB2 PRO 24 HB2 PRO 24 30.756 -0.396 -3.618
150 HB3 PRO 24 HB1 PRO 24 30.925 0.912 -2.430
151 HG2 PRO 24 HG2 PRO 24 30.674 -2.022 -1.989
152 HG3 PRO 24 HG1 PRO 24 31.701 -0.840 -1.162
153 HD2 PRO 24 HD2 PRO 24 29.333 -1.781 -0.121
154 HD3 PRO 24 HD1 PRO 24 30.022 -0.194 0.284
155 H GLY 25 HN GLY 25 28.419 0.585 -5.072
156 HA2 GLY 25 HA2 GLY 25 27.982 -0.947 -6.841
157 HA3 GLY 25 HA1 GLY 25 27.510 -2.152 -5.646
158 H GLY 26 HN GLY 26 26.093 -1.031 -8.053
159 HA2 GLY 26 HA2 GLY 26 23.913 -0.560 -8.639
160 HA3 GLY 26 HA1 GLY 26 23.467 -0.994 -6.989
161 H CYS 27 HN CYS 27 25.807 1.518 -7.620
162 HA CYS 27 HA CYS 27 23.916 3.464 -6.496
163 HB2 CYS 27 HB2 CYS 27 26.930 3.467 -6.689
164 HB3 CYS 27 HB1 CYS 27 25.988 4.833 -6.098
165 H TYR 28 HN TYR 28 23.559 5.449 -7.409
166 HA TYR 28 HA TYR 28 23.168 6.916 -9.118
167 HB2 TYR 28 HB2 TYR 28 25.921 5.966 -9.937
168 HB3 TYR 28 HB1 TYR 28 25.078 7.320 -10.687
169 HD1 TYR 28 HD1 TYR 28 27.757 7.396 -9.148
170 HD2 TYR 28 HD2 TYR 28 23.690 8.122 -7.964
171 HE1 TYR 28 HE1 TYR 28 28.549 8.897 -7.341
172 HE2 TYR 28 HE2 TYR 28 24.484 9.621 -6.157
173 HH TYR 28 HH TYR 28 26.763 9.797 -4.786
Start of MODEL 19
1 H1 CYS 1 HT1 CYS 1 12.681 -9.709 1.687
2 H2 CYS 1 HT2 CYS 1 13.340 -9.556 0.128
3 H3 CYS 1 HT3 CYS 1 11.874 -8.790 0.513
4 HA CYS 1 HA CYS 1 13.148 -7.502 2.247
5 HB2 CYS 1 HB2 CYS 1 15.146 -8.838 2.366
6 HB3 CYS 1 HB1 CYS 1 15.392 -8.727 0.623
7 H CYS 2 HN CYS 2 13.541 -5.345 1.654
8 HA CYS 2 HA CYS 2 12.424 -4.526 -0.831
9 HB2 CYS 2 HB2 CYS 2 13.326 -3.286 1.621
10 HB3 CYS 2 HB1 CYS 2 13.879 -2.367 0.222
11 H ILE 3 HN ILE 3 15.524 -3.282 0.287
12 HA ILE 3 HA ILE 3 16.590 -3.615 -2.432
13 HB ILE 3 HB ILE 3 16.599 -1.364 -1.218
14 HG12 ILE 3 HG12 ILE 3 18.952 -0.882 -1.985
15 HG13 ILE 3 HG11 ILE 3 19.164 -2.613 -2.250
16 HG21 ILE 3 HG21 ILE 3 17.499 -1.325 0.844
17 HG22 ILE 3 HG22 ILE 3 19.065 -1.718 0.134
18 HG23 ILE 3 HG23 ILE 3 18.000 -3.010 0.690
19 HD11 ILE 3 HD11 ILE 3 17.590 -2.670 -3.993
20 HD12 ILE 3 HD12 ILE 3 18.415 -1.133 -4.261
21 HD13 ILE 3 HD13 ILE 3 16.833 -1.161 -3.482
22 H DBB 4 HN DBB 4 16.381 -5.669 -0.165
23 HA DBB 4 HA DBB 4 18.321 -7.406 -0.669
24 HB2 DBB 4 HB2 DBB 4 17.533 -8.438 1.177
25 HG1 DBB 4 HG1 DBB 4 18.421 -6.087 2.880
26 HG2 DBB 4 HG2 DBB 4 19.497 -7.398 2.401
27 HG3 DBB 4 HG3 DBB 4 18.101 -7.735 3.423
28 H GLY 5 HN GLY 5 18.792 -4.736 1.641
29 HA2 GLY 5 HA2 GLY 5 21.698 -5.173 1.537
30 HA3 GLY 5 HA1 GLY 5 21.071 -3.599 1.055
31 H GLU 6 HN GLU 6 22.473 -2.880 2.875
32 HA GLU 6 HA GLU 6 21.255 -3.330 5.520
33 HB2 GLU 6 HB2 GLU 6 23.323 -2.548 6.465
34 HB3 GLU 6 HB1 GLU 6 23.723 -3.726 5.216
35 HG2 GLU 6 HG2 GLU 6 24.094 -1.873 3.609
36 HG3 GLU 6 HG1 GLU 6 23.754 -0.713 4.890
37 H SER 7 HN SER 7 21.167 -1.197 2.983
38 HA SER 7 HA SER 7 21.287 1.336 4.166
39 HB2 SER 7 HB2 SER 7 19.210 0.997 2.107
40 HB3 SER 7 HB1 SER 7 20.595 2.085 2.146
41 HG SER 7 HG SER 7 20.350 -0.486 1.139
42 HA PRO 8 HA PRO 8 17.574 2.258 6.345
43 HB2 PRO 8 HB2 PRO 8 16.226 3.519 4.002
44 HB3 PRO 8 HB1 PRO 8 16.544 4.186 5.614
45 HG2 PRO 8 HG2 PRO 8 17.958 4.942 3.486
46 HG3 PRO 8 HG1 PRO 8 18.694 4.787 5.091
47 HD2 PRO 8 HD2 PRO 8 18.953 2.987 2.720
48 HD3 PRO 8 HD1 PRO 8 20.132 3.345 4.002
49 H GLY 9 HN GLY 9 16.873 1.130 3.054
50 HA2 GLY 9 HA2 GLY 9 15.741 -0.951 2.657
51 HA3 GLY 9 HA1 GLY 9 14.866 -0.721 4.167
52 H DAL 10 HN DAL 10 13.514 -1.349 1.849
53 HA DAL 10 HA DAL 10 11.311 0.079 1.687
54 HB1 DAL 10 HB2 DAL 10 12.890 -0.812 -0.735
55 HB2 DAL 10 HB3 DAL 10 11.194 -0.327 -0.774
56 H ALA 11 HN ALA 11 14.234 1.089 -0.097
57 HA ALA 11 HA ALA 11 13.144 3.831 -0.089
58 HB1 ALA 11 HB1 ALA 11 15.275 4.677 0.260
59 HB2 ALA 11 HB2 ALA 11 16.063 3.259 -0.432
60 HB3 ALA 11 HB3 ALA 11 15.359 3.177 1.183
61 HA PRO 12 HA PRO 12 13.368 2.278 -4.490
62 HB2 PRO 12 HB2 PRO 12 11.059 3.657 -5.197
63 HB3 PRO 12 HB1 PRO 12 11.108 1.959 -4.685
64 HG2 PRO 12 HG2 PRO 12 10.404 4.389 -3.121
65 HG3 PRO 12 HG1 PRO 12 9.702 2.763 -3.068
66 HD2 PRO 12 HD2 PRO 12 11.426 3.626 -1.163
67 HD3 PRO 12 HD1 PRO 12 11.385 1.929 -1.691
68 H DBB 13 HN DBB 13 14.081 3.497 -6.262
69 HA DBB 13 HA DBB 13 13.815 6.217 -6.706
70 HB2 DBB 13 HB2 DBB 13 14.816 4.819 -8.375
71 HG1 DBB 13 HG1 DBB 13 17.326 4.098 -7.678
72 HG2 DBB 13 HG2 DBB 13 15.915 3.068 -7.439
73 HG3 DBB 13 HG3 DBB 13 16.537 4.035 -6.103
74 H ASN 14 HN ASN 14 15.692 4.488 -4.389
75 HA ASN 14 HA ASN 14 17.111 6.926 -3.534
76 HB2 ASN 14 HB2 ASN 14 14.841 6.219 -2.297
77 HB3 ASN 14 HB1 ASN 14 15.959 5.169 -1.426
78 HD21 ASN 14 HD21 ASN 14 16.085 8.579 -2.648
79 HD22 ASN 14 HD22 ASN 14 16.664 9.227 -1.183
80 H ASP 15 HN ASP 15 18.242 4.813 -4.960
81 HA ASP 15 HA ASP 15 20.473 4.165 -3.412
82 HB2 ASP 15 HB2 ASP 15 18.884 2.755 -2.135
83 HB3 ASP 15 HB1 ASP 15 18.516 1.864 -3.611
84 H TYR 16 HN TYR 16 19.704 1.293 -4.881
85 HA TYR 16 HA TYR 16 21.182 0.490 -6.631
86 HB2 TYR 16 HB2 TYR 16 18.422 1.002 -7.057
87 HB3 TYR 16 HB1 TYR 16 19.264 1.360 -8.564
88 HD1 TYR 16 HD1 TYR 16 17.984 -1.227 -6.447
89 HD2 TYR 16 HD2 TYR 16 20.987 -0.386 -9.403
90 HE1 TYR 16 HE1 TYR 16 18.231 -3.656 -6.888
91 HE2 TYR 16 HE2 TYR 16 21.233 -2.813 -9.843
92 HH TYR 16 HH TYR 16 20.375 -4.846 -9.459
93 H LYS 17 HN LYS 17 19.575 3.129 -8.333
94 HA LYS 17 HA LYS 17 22.179 4.393 -8.857
95 HB2 LYS 17 HB2 LYS 17 20.207 3.471 -10.955
96 HB3 LYS 17 HB1 LYS 17 21.521 4.605 -11.277
97 HG2 LYS 17 HG2 LYS 17 23.165 2.943 -10.524
98 HG3 LYS 17 HG1 LYS 17 21.866 1.809 -10.148
99 HD2 LYS 17 HD2 LYS 17 21.176 1.848 -12.537
100 HD3 LYS 17 HD1 LYS 17 22.535 2.917 -12.893
101 HE2 LYS 17 HE2 LYS 17 22.758 0.130 -11.715
102 HE3 LYS 17 HE1 LYS 17 23.100 0.560 -13.390
103 HZ1 LYS 17 HZ1 LYS 17 24.937 0.534 -11.459
104 HZ2 LYS 17 HZ2 LYS 17 24.451 2.161 -11.388
105 HZ3 LYS 17 HZ3 LYS 17 25.042 1.511 -12.842
106 H CYS 18 HN CYS 18 19.845 5.080 -7.198
107 HA CYS 18 HA CYS 18 18.784 7.437 -8.609
108 HB2 CYS 18 HB2 CYS 18 17.794 5.660 -6.495
109 HB3 CYS 18 HB1 CYS 18 17.512 7.370 -6.192
110 H DBB 19 HN DBB 19 19.639 6.734 -5.228
111 HA DBB 19 HA DBB 19 20.244 9.401 -4.562
112 HB2 DBB 19 HB2 DBB 19 22.867 8.454 -4.330
113 HG1 DBB 19 HG1 DBB 19 22.022 10.771 -4.841
114 HG2 DBB 19 HG2 DBB 19 21.720 10.240 -6.495
115 HG3 DBB 19 HG3 DBB 19 23.367 10.265 -5.865
116 H LYS 20 HN LYS 20 22.533 6.973 -3.608
117 HA LYS 20 HA LYS 20 22.287 7.153 -0.915
118 HB2 LYS 20 HB2 LYS 20 19.983 5.735 -2.023
119 HB3 LYS 20 HB1 LYS 20 20.845 4.806 -0.797
120 HG2 LYS 20 HG2 LYS 20 20.799 6.944 0.625
121 HG3 LYS 20 HG1 LYS 20 19.607 7.546 -0.525
122 HD2 LYS 20 HD2 LYS 20 18.140 5.656 -0.064
123 HD3 LYS 20 HD1 LYS 20 19.346 4.948 1.011
124 HE2 LYS 20 HE2 LYS 20 18.176 7.703 1.451
125 HE3 LYS 20 HE1 LYS 20 17.480 6.247 2.159
126 HZ1 LYS 20 HZ1 LYS 20 19.849 5.819 2.986
127 HZ2 LYS 20 HZ2 LYS 20 18.929 7.008 3.779
128 HZ3 LYS 20 HZ3 LYS 20 20.123 7.460 2.657
129 H GLY 21 HN GLY 21 21.658 3.964 -2.092
130 HA2 GLY 21 HA2 GLY 21 23.555 2.636 -3.099
131 HA3 GLY 21 HA1 GLY 21 24.526 3.307 -1.791
132 H ARG 22 HN ARG 22 23.095 0.563 -2.700
133 HA ARG 22 HA ARG 22 21.589 -0.281 -0.464
134 HB2 ARG 22 HB2 ARG 22 21.582 -1.440 -2.654
135 HB3 ARG 22 HB1 ARG 22 23.237 -1.973 -2.358
136 HG2 ARG 22 HG2 ARG 22 22.507 -3.170 -0.337
137 HG3 ARG 22 HG1 ARG 22 20.853 -2.618 -0.597
138 HD2 ARG 22 HD2 ARG 22 21.070 -4.879 -1.466
139 HD3 ARG 22 HD1 ARG 22 20.860 -3.764 -2.814
140 HE ARG 22 HE ARG 22 23.625 -4.127 -2.302
141 HH11 ARG 22 HH11 ARG 22 20.822 -5.743 -3.528
142 HH12 ARG 22 HH12 ARG 22 21.712 -6.770 -4.599
143 HH21 ARG 22 HH21 ARG 22 24.801 -5.473 -3.703
144 HH22 ARG 22 HH22 ARG 22 23.967 -6.618 -4.699
145 H GLY 23 HN GLY 23 25.040 -0.572 -1.240
146 HA2 GLY 23 HA2 GLY 23 25.581 -1.023 1.617
147 HA3 GLY 23 HA1 GLY 23 26.229 -2.164 0.445
148 HA PRO 24 HA PRO 24 29.868 0.423 0.705
149 HB2 PRO 24 HB2 PRO 24 30.512 -1.047 -1.808
150 HB3 PRO 24 HB1 PRO 24 31.479 -0.852 -0.336
151 HG2 PRO 24 HG2 PRO 24 30.259 -3.148 -0.904
152 HG3 PRO 24 HG1 PRO 24 30.408 -2.558 0.760
153 HD2 PRO 24 HD2 PRO 24 28.005 -2.596 -1.017
154 HD3 PRO 24 HD1 PRO 24 28.105 -2.760 0.750
155 H GLY 25 HN GLY 25 28.100 -0.108 -2.328
156 HA2 GLY 25 HA2 GLY 25 27.909 2.687 -2.885
157 HA3 GLY 25 HA1 GLY 25 29.116 1.920 -3.910
158 H GLY 26 HN GLY 26 26.069 2.934 -3.984
159 HA2 GLY 26 HA2 GLY 26 25.251 0.836 -5.900
160 HA3 GLY 26 HA1 GLY 26 24.114 1.441 -4.698
161 H CYS 27 HN CYS 27 23.907 3.907 -4.684
162 HA CYS 27 HA CYS 27 22.993 4.751 -7.232
163 HB2 CYS 27 HB2 CYS 27 21.984 5.596 -5.183
164 HB3 CYS 27 HB1 CYS 27 23.519 6.331 -4.717
165 H TYR 28 HN TYR 28 24.591 7.353 -5.827
166 HA TYR 28 HA TYR 28 27.181 7.166 -6.858
167 HB2 TYR 28 HB2 TYR 28 27.075 8.317 -8.938
168 HB3 TYR 28 HB1 TYR 28 25.829 7.071 -9.020
169 HD1 TYR 28 HD1 TYR 28 26.519 10.640 -8.931
170 HD2 TYR 28 HD2 TYR 28 23.419 7.677 -8.619
171 HE1 TYR 28 HE1 TYR 28 24.805 12.393 -9.288
172 HE2 TYR 28 HE2 TYR 28 21.710 9.434 -8.978
173 HH TYR 28 HH TYR 28 21.428 11.593 -9.766
Start of MODEL 20
1 H1 CYS 1 HT1 CYS 1 13.379 -7.557 3.760
2 H2 CYS 1 HT2 CYS 1 12.782 -7.130 2.227
3 H3 CYS 1 HT3 CYS 1 12.903 -5.959 3.451
4 HA CYS 1 HA CYS 1 15.060 -5.577 3.084
5 HB2 CYS 1 HB2 CYS 1 16.263 -7.349 3.822
6 HB3 CYS 1 HB1 CYS 1 15.076 -8.504 3.237
7 H CYS 2 HN CYS 2 14.882 -4.282 1.310
8 HA CYS 2 HA CYS 2 14.073 -5.216 -1.274
9 HB2 CYS 2 HB2 CYS 2 14.909 -2.672 -0.057
10 HB3 CYS 2 HB1 CYS 2 15.378 -2.852 -1.749
11 H ILE 3 HN ILE 3 17.107 -3.515 -0.630
12 HA ILE 3 HA ILE 3 18.526 -4.850 -2.694
13 HB ILE 3 HB ILE 3 19.329 -3.078 -0.402
14 HG12 ILE 3 HG12 ILE 3 19.796 -1.508 -2.136
15 HG13 ILE 3 HG11 ILE 3 19.757 -2.760 -3.377
16 HG21 ILE 3 HG21 ILE 3 21.050 -4.798 -2.153
17 HG22 ILE 3 HG22 ILE 3 21.267 -4.359 -0.459
18 HG23 ILE 3 HG23 ILE 3 21.623 -3.186 -1.726
19 HD11 ILE 3 HD11 ILE 3 17.395 -3.005 -3.208
20 HD12 ILE 3 HD12 ILE 3 17.679 -1.264 -3.204
21 HD13 ILE 3 HD13 ILE 3 17.335 -2.104 -1.692
22 H DBB 4 HN DBB 4 18.370 -5.270 0.817
23 HA DBB 4 HA DBB 4 19.356 -8.004 0.511
24 HB2 DBB 4 HB2 DBB 4 18.708 -8.172 2.950
25 HG1 DBB 4 HG1 DBB 4 17.986 -6.361 4.123
26 HG2 DBB 4 HG2 DBB 4 17.086 -5.715 2.751
27 HG3 DBB 4 HG3 DBB 4 18.822 -5.430 2.880
28 H GLY 5 HN GLY 5 20.342 -4.898 1.690
29 HA2 GLY 5 HA2 GLY 5 22.788 -6.071 2.862
30 HA3 GLY 5 HA1 GLY 5 22.891 -4.771 1.679
31 H GLU 6 HN GLU 6 22.851 -2.722 2.397
32 HA GLU 6 HA GLU 6 22.198 -2.299 5.241
33 HB2 GLU 6 HB2 GLU 6 24.499 -1.722 4.598
34 HB3 GLU 6 HB1 GLU 6 23.879 -0.622 3.366
35 HG2 GLU 6 HG2 GLU 6 24.422 0.686 5.328
36 HG3 GLU 6 HG1 GLU 6 22.668 0.622 5.181
37 H SER 7 HN SER 7 21.053 -1.773 2.119
38 HA SER 7 HA SER 7 19.897 0.778 2.314
39 HB2 SER 7 HB2 SER 7 18.538 -1.449 0.836
40 HB3 SER 7 HB1 SER 7 18.704 0.246 0.388
41 HG SER 7 HG SER 7 21.094 -0.381 0.443
42 HA PRO 8 HA PRO 8 16.948 0.149 5.580
43 HB2 PRO 8 HB2 PRO 8 15.555 2.383 4.177
44 HB3 PRO 8 HB1 PRO 8 16.040 2.247 5.878
45 HG2 PRO 8 HG2 PRO 8 17.362 3.803 4.165
46 HG3 PRO 8 HG1 PRO 8 18.193 2.920 5.457
47 HD2 PRO 8 HD2 PRO 8 18.131 2.346 2.526
48 HD3 PRO 8 HD1 PRO 8 19.421 2.044 3.710
49 H GLY 9 HN GLY 9 15.888 0.677 2.231
50 HA2 GLY 9 HA2 GLY 9 14.301 -1.642 2.089
51 HA3 GLY 9 HA1 GLY 9 13.257 -0.275 2.468
52 H DAL 10 HN DAL 10 12.329 -0.912 0.324
53 HA DAL 10 HA DAL 10 11.918 0.138 -1.756
54 HB1 DAL 10 HB2 DAL 10 14.379 -1.282 -2.649
55 HB2 DAL 10 HB3 DAL 10 12.747 -1.327 -3.317
56 H ALA 11 HN ALA 11 13.173 2.085 -0.316
57 HA ALA 11 HA ALA 11 14.183 4.108 -0.743
58 HB1 ALA 11 HB1 ALA 11 16.400 2.137 -1.332
59 HB2 ALA 11 HB2 ALA 11 16.041 2.900 0.217
60 HB3 ALA 11 HB3 ALA 11 16.643 3.873 -1.125
61 HA PRO 12 HA PRO 12 13.548 3.513 -5.397
62 HB2 PRO 12 HB2 PRO 12 11.614 5.530 -5.438
63 HB3 PRO 12 HB1 PRO 12 11.288 3.788 -5.418
64 HG2 PRO 12 HG2 PRO 12 11.235 5.752 -3.193
65 HG3 PRO 12 HG1 PRO 12 10.224 4.322 -3.469
66 HD2 PRO 12 HD2 PRO 12 12.227 4.330 -1.634
67 HD3 PRO 12 HD1 PRO 12 11.793 2.866 -2.549
68 H DBB 13 HN DBB 13 14.663 4.755 -6.821
69 HA DBB 13 HA DBB 13 14.932 7.473 -7.004
70 HB2 DBB 13 HB2 DBB 13 15.963 6.268 -8.735
71 HG1 DBB 13 HG1 DBB 13 18.029 4.725 -7.748
72 HG2 DBB 13 HG2 DBB 13 16.443 4.116 -8.213
73 HG3 DBB 13 HG3 DBB 13 16.774 4.516 -6.527
74 H ASN 14 HN ASN 14 16.117 5.305 -4.648
75 HA ASN 14 HA ASN 14 17.832 7.351 -3.405
76 HB2 ASN 14 HB2 ASN 14 15.487 7.407 -2.459
77 HB3 ASN 14 HB1 ASN 14 15.751 5.754 -1.882
78 HD21 ASN 14 HD21 ASN 14 15.743 6.359 0.383
79 HD22 ASN 14 HD22 ASN 14 16.995 7.285 1.071
80 H ASP 15 HN ASP 15 17.973 4.560 -4.780
81 HA ASP 15 HA ASP 15 20.238 3.599 -3.473
82 HB2 ASP 15 HB2 ASP 15 18.515 3.154 -1.649
83 HB3 ASP 15 HB1 ASP 15 17.820 1.949 -2.728
84 H TYR 16 HN TYR 16 20.663 1.209 -4.069
85 HA TYR 16 HA TYR 16 21.083 -0.226 -5.822
86 HB2 TYR 16 HB2 TYR 16 19.138 -1.320 -6.705
87 HB3 TYR 16 HB1 TYR 16 18.795 -0.917 -5.023
88 HD1 TYR 16 HD1 TYR 16 18.318 0.277 -8.528
89 HD2 TYR 16 HD2 TYR 16 16.970 0.481 -4.452
90 HE1 TYR 16 HE1 TYR 16 16.340 1.588 -9.246
91 HE2 TYR 16 HE2 TYR 16 14.994 1.795 -5.171
92 HH TYR 16 HH TYR 16 14.512 2.660 -8.599
93 H LYS 17 HN LYS 17 20.649 2.859 -6.351
94 HA LYS 17 HA LYS 17 21.768 3.257 -8.712
95 HB2 LYS 17 HB2 LYS 17 19.148 1.987 -9.174
96 HB3 LYS 17 HB1 LYS 17 19.456 3.418 -10.154
97 HG2 LYS 17 HG2 LYS 17 21.535 2.483 -10.974
98 HG3 LYS 17 HG1 LYS 17 21.403 1.110 -9.881
99 HD2 LYS 17 HD2 LYS 17 19.305 0.428 -11.023
100 HD3 LYS 17 HD1 LYS 17 19.501 1.774 -12.147
101 HE2 LYS 17 HE2 LYS 17 21.639 0.849 -12.918
102 HE3 LYS 17 HE1 LYS 17 21.500 -0.472 -11.758
103 HZ1 LYS 17 HZ1 LYS 17 20.496 -0.395 -14.328
104 HZ2 LYS 17 HZ2 LYS 17 19.142 -0.262 -13.310
105 HZ3 LYS 17 HZ3 LYS 17 20.203 -1.579 -13.148
106 H CYS 18 HN CYS 18 21.253 4.719 -6.442
107 HA CYS 18 HA CYS 18 20.534 7.245 -7.530
108 HB2 CYS 18 HB2 CYS 18 18.442 5.694 -6.166
109 HB3 CYS 18 HB1 CYS 18 18.631 7.338 -5.584
110 H DBB 19 HN DBB 19 22.566 7.732 -6.631
111 HA DBB 19 HA DBB 19 22.681 9.072 -4.269
112 HB2 DBB 19 HB2 DBB 19 25.216 8.064 -4.347
113 HG1 DBB 19 HG1 DBB 19 25.757 10.048 -5.629
114 HG2 DBB 19 HG2 DBB 19 24.419 10.446 -4.550
115 HG3 DBB 19 HG3 DBB 19 24.113 10.141 -6.259
116 H LYS 20 HN LYS 20 22.383 5.682 -4.596
117 HA LYS 20 HA LYS 20 23.558 5.024 -2.036
118 HB2 LYS 20 HB2 LYS 20 20.556 5.121 -2.376
119 HB3 LYS 20 HB1 LYS 20 21.368 4.271 -1.063
120 HG2 LYS 20 HG2 LYS 20 22.460 6.389 -0.387
121 HG3 LYS 20 HG1 LYS 20 21.604 7.232 -1.673
122 HD2 LYS 20 HD2 LYS 20 19.449 6.613 -0.666
123 HD3 LYS 20 HD1 LYS 20 20.290 5.739 0.615
124 HE2 LYS 20 HE2 LYS 20 21.389 7.843 1.315
125 HE3 LYS 20 HE1 LYS 20 20.519 8.709 0.049
126 HZ1 LYS 20 HZ1 LYS 20 19.579 8.600 2.458
127 HZ2 LYS 20 HZ2 LYS 20 19.000 7.082 1.960
128 HZ3 LYS 20 HZ3 LYS 20 18.533 8.487 1.126
129 H GLY 21 HN GLY 21 23.568 2.767 -1.617
130 HA2 GLY 21 HA2 GLY 21 22.350 0.939 -3.511
131 HA3 GLY 21 HA1 GLY 21 24.104 1.048 -3.631
132 H ARG 22 HN ARG 22 24.621 -0.970 -2.879
133 HA ARG 22 HA ARG 22 23.436 -2.281 -0.690
134 HB2 ARG 22 HB2 ARG 22 26.170 -2.542 -1.955
135 HB3 ARG 22 HB1 ARG 22 25.584 -3.616 -0.683
136 HG2 ARG 22 HG2 ARG 22 23.658 -4.244 -2.071
137 HG3 ARG 22 HG1 ARG 22 24.202 -3.145 -3.339
138 HD2 ARG 22 HD2 ARG 22 26.281 -4.426 -3.583
139 HD3 ARG 22 HD1 ARG 22 25.777 -5.510 -2.290
140 HE ARG 22 HE ARG 22 24.748 -5.459 -5.019
141 HH11 ARG 22 HH11 ARG 22 24.402 -6.509 -1.738
142 HH12 ARG 22 HH12 ARG 22 23.371 -7.843 -2.128
143 HH21 ARG 22 HH21 ARG 22 23.396 -7.210 -5.538
144 HH22 ARG 22 HH22 ARG 22 22.801 -8.241 -4.280
145 H GLY 23 HN GLY 23 26.284 -0.171 -0.889
146 HA2 GLY 23 HA2 GLY 23 26.008 0.956 1.641
147 HA3 GLY 23 HA1 GLY 23 27.067 -0.438 1.827
148 HA PRO 24 HA PRO 24 30.532 1.823 0.400
149 HB2 PRO 24 HB2 PRO 24 31.727 0.146 -1.415
150 HB3 PRO 24 HB1 PRO 24 31.777 -0.104 0.340
151 HG2 PRO 24 HG2 PRO 24 30.052 -1.400 -1.707
152 HG3 PRO 24 HG1 PRO 24 30.829 -2.099 -0.275
153 HD2 PRO 24 HD2 PRO 24 28.177 -1.436 -0.341
154 HD3 PRO 24 HD1 PRO 24 29.143 -1.393 1.151
155 H GLY 25 HN GLY 25 28.245 0.758 -1.969
156 HA2 GLY 25 HA2 GLY 25 28.498 3.170 -3.494
157 HA3 GLY 25 HA1 GLY 25 29.158 1.784 -4.357
158 H GLY 26 HN GLY 26 27.631 1.562 -5.941
159 HA2 GLY 26 HA2 GLY 26 25.717 0.489 -6.756
160 HA3 GLY 26 HA1 GLY 26 25.063 0.460 -5.122
161 H CYS 27 HN CYS 27 26.309 3.492 -6.022
162 HA CYS 27 HA CYS 27 23.620 4.610 -6.117
163 HB2 CYS 27 HB2 CYS 27 25.030 5.904 -4.770
164 HB3 CYS 27 HB1 CYS 27 26.384 5.765 -5.890
165 H TYR 28 HN TYR 28 22.602 5.273 -7.901
166 HA TYR 28 HA TYR 28 22.140 5.573 -10.130
167 HB2 TYR 28 HB2 TYR 28 24.741 6.947 -9.673
168 HB3 TYR 28 HB1 TYR 28 24.223 6.720 -11.345
169 HD1 TYR 28 HD1 TYR 28 23.261 8.165 -8.063
170 HD2 TYR 28 HD2 TYR 28 22.384 7.958 -12.263
171 HE1 TYR 28 HE1 TYR 28 21.686 10.065 -7.828
172 HE2 TYR 28 HE2 TYR 28 20.807 9.857 -12.026
173 HH TYR 28 HH TYR 28 20.757 11.953 -9.942