Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
643523 | 6my3 RC | 30536 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H PCA 1 H PCA 1 1.644 -0.009 -0.510
2 HA PCA 1 HA PCA 1 0.716 2.037 -0.476
3 HB2 PCA 1 HB2 PCA 1 -1.837 1.784 0.606
4 HB3 PCA 1 HB3 PCA 1 -1.504 1.286 -1.061
5 HG2 PCA 1 HG2 PCA 1 -1.487 -0.460 1.459
6 HG3 PCA 1 HG3 PCA 1 -2.223 -0.819 -0.119
7 H CYS 2 H CYS 2 -0.381 3.426 1.255
8 HA CYS 2 HA CYS 2 0.644 2.721 3.920
9 HB2 CYS 2 HB2 CYS 2 1.039 5.337 2.456
10 HB3 CYS 2 HB3 CYS 2 1.384 5.102 4.166
11 H ARG 3 H ARG 3 -0.322 3.951 5.677
12 HA ARG 3 HA ARG 3 -2.885 5.218 5.027
13 HB2 ARG 3 HB2 ARG 3 -2.522 3.024 7.077
14 HB3 ARG 3 HB3 ARG 3 -3.992 3.961 6.843
15 HG2 ARG 3 HG2 ARG 3 -3.768 3.078 4.376
16 HG3 ARG 3 HG3 ARG 3 -2.821 1.812 5.159
17 HD2 ARG 3 HD2 ARG 3 -5.648 2.606 5.847
18 HD3 ARG 3 HD3 ARG 3 -5.162 1.161 4.961
19 HE ARG 3 HE ARG 3 -3.952 1.382 7.558
20 HH11 ARG 3 HH11 ARG 3 -6.748 0.302 5.786
21 HH12 ARG 3 HH12 ARG 3 -7.209 -0.871 6.974
22 HH21 ARG 3 HH21 ARG 3 -4.550 -0.159 9.129
23 HH22 ARG 3 HH22 ARG 3 -5.959 -1.133 8.875
24 H ARG 4 H ARG 4 -3.282 7.003 6.187
25 HA ARG 4 HA ARG 4 -1.561 7.524 8.523
26 HB2 ARG 4 HB2 ARG 4 -1.312 8.936 6.350
27 HB3 ARG 4 HB3 ARG 4 -2.802 9.706 6.879
28 HG2 ARG 4 HG2 ARG 4 -1.733 10.358 8.971
29 HG3 ARG 4 HG3 ARG 4 -0.240 9.572 8.455
30 HD2 ARG 4 HD2 ARG 4 -0.243 11.097 6.462
31 HD3 ARG 4 HD3 ARG 4 -1.587 11.960 7.208
32 HE ARG 4 HE ARG 4 0.647 11.727 8.966
33 HH11 ARG 4 HH11 ARG 4 -0.629 13.526 6.272
34 HH12 ARG 4 HH12 ARG 4 0.272 14.961 6.636
35 HH21 ARG 4 HH21 ARG 4 1.838 13.610 9.455
36 HH22 ARG 4 HH22 ARG 4 1.676 15.007 8.446
37 H LEU 5 H LEU 5 -2.539 7.885 10.409
38 HA LEU 5 HA LEU 5 -5.393 8.609 10.394
39 HB2 LEU 5 HB2 LEU 5 -4.197 6.855 12.506
40 HB3 LEU 5 HB3 LEU 5 -5.893 7.082 12.085
41 HG LEU 5 HG LEU 5 -5.097 5.963 9.816
42 HD11 LEU 5 HD11 LEU 5 -3.458 4.191 11.409
43 HD12 LEU 5 HD12 LEU 5 -2.763 5.808 11.302
44 HD13 LEU 5 HD13 LEU 5 -3.140 4.911 9.831
45 HD21 LEU 5 HD21 LEU 5 -5.817 4.638 12.415
46 HD22 LEU 5 HD22 LEU 5 -5.652 3.730 10.911
47 HD23 LEU 5 HD23 LEU 5 -6.859 5.010 11.042
48 H CYS 6 H CYS 6 -5.875 10.359 11.547
49 HA CYS 6 HA CYS 6 -3.926 11.280 13.558
50 HB2 CYS 6 HB2 CYS 6 -5.592 12.844 11.590
51 HB3 CYS 6 HB3 CYS 6 -4.873 13.596 13.011
52 H TYR 7 H TYR 7 -4.653 11.454 15.571
53 HA TYR 7 HA TYR 7 -7.321 12.285 16.192
54 HB2 TYR 7 HB2 TYR 7 -7.311 9.699 15.619
55 HB3 TYR 7 HB3 TYR 7 -6.711 9.567 17.268
56 HD1 TYR 7 HD1 TYR 7 -8.265 9.292 18.949
57 HD2 TYR 7 HD2 TYR 7 -9.444 11.286 15.380
58 HE1 TYR 7 HE1 TYR 7 -10.566 9.448 19.803
59 HE2 TYR 7 HE2 TYR 7 -11.748 11.448 16.225
60 HH TYR 7 HH TYR 7 -12.978 11.371 18.247
61 H LYS 8 H LYS 8 -7.466 13.087 18.233
62 HA LYS 8 HA LYS 8 -6.710 13.992 20.184
63 HB2 LYS 8 HB2 LYS 8 -5.542 11.214 20.391
64 HB3 LYS 8 HB3 LYS 8 -5.558 12.368 21.719
65 HG2 LYS 8 HG2 LYS 8 -8.128 12.438 21.220
66 HG3 LYS 8 HG3 LYS 8 -7.810 10.868 20.478
67 HD2 LYS 8 HD2 LYS 8 -7.244 9.888 22.477
68 HD3 LYS 8 HD3 LYS 8 -6.726 11.412 23.201
69 HE2 LYS 8 HE2 LYS 8 -8.749 10.743 24.277
70 HE3 LYS 8 HE3 LYS 8 -9.122 12.117 23.239
71 HZ1 LYS 8 HZ1 LYS 8 -9.475 9.808 21.726
72 HZ2 LYS 8 HZ2 LYS 8 -10.661 10.886 22.265
73 HZ3 LYS 8 HZ3 LYS 8 -10.249 9.543 23.207
74 H GLN 9 H GLN 9 -5.156 14.669 17.961
75 HA GLN 9 HA GLN 9 -3.191 15.687 17.436
76 HB2 GLN 9 HB2 GLN 9 -2.399 15.385 20.328
77 HB3 GLN 9 HB3 GLN 9 -1.866 16.608 19.182
78 HG2 GLN 9 HG2 GLN 9 -4.616 16.332 20.369
79 HG3 GLN 9 HG3 GLN 9 -3.419 17.570 20.744
80 HE21 GLN 9 HE21 GLN 9 -6.170 17.009 19.100
81 HE22 GLN 9 HE22 GLN 9 -6.034 18.204 17.860
82 H ARG 10 H ARG 10 -3.412 12.841 17.218
83 HA ARG 10 HA ARG 10 -0.567 12.128 17.456
84 HB2 ARG 10 HB2 ARG 10 -2.012 10.966 19.163
85 HB3 ARG 10 HB3 ARG 10 -2.848 10.184 17.828
86 HG2 ARG 10 HG2 ARG 10 -0.621 9.268 17.108
87 HG3 ARG 10 HG3 ARG 10 0.030 9.872 18.633
88 HD2 ARG 10 HD2 ARG 10 -1.138 8.348 19.892
89 HD3 ARG 10 HD3 ARG 10 -2.417 8.176 18.691
90 HE ARG 10 HE ARG 10 -0.126 7.148 17.540
91 HH11 ARG 10 HH11 ARG 10 -2.110 6.480 20.321
92 HH12 ARG 10 HH12 ARG 10 -1.758 4.784 20.328
93 HH21 ARG 10 HH21 ARG 10 0.345 4.916 17.538
94 HH22 ARG 10 HH22 ARG 10 -0.361 3.895 18.745
95 H CYS 11 H CYS 11 0.068 12.319 15.383
96 HA CYS 11 HA CYS 11 -1.529 10.943 13.325
97 HB2 CYS 11 HB2 CYS 11 0.395 13.261 13.073
98 HB3 CYS 11 HB3 CYS 11 -0.325 12.425 11.701
99 H VAL 12 H VAL 12 -0.662 9.263 12.280
100 HA VAL 12 HA VAL 12 2.238 8.915 12.232
101 HB VAL 12 HB VAL 12 1.931 6.476 12.845
102 HG11 VAL 12 HG11 VAL 12 1.180 7.939 15.277
103 HG12 VAL 12 HG12 VAL 12 2.611 6.967 14.930
104 HG13 VAL 12 HG13 VAL 12 2.522 8.638 14.373
105 HG21 VAL 12 HG21 VAL 12 -0.722 7.520 13.829
106 HG22 VAL 12 HG22 VAL 12 -0.465 6.303 12.578
107 HG23 VAL 12 HG23 VAL 12 -0.035 5.952 14.251
108 H THR 13 H THR 13 2.984 7.516 10.590
109 HA THR 13 HA THR 13 0.967 6.914 8.527
110 HB THR 13 HB THR 13 3.709 7.043 7.551
111 HG1 THR 13 HG1 THR 13 4.152 8.723 8.839
112 HG21 THR 13 HG21 THR 13 2.673 8.487 5.864
113 HG22 THR 13 HG22 THR 13 1.190 8.541 6.818
114 HG23 THR 13 HG23 THR 13 1.730 7.018 6.112
115 H TYR 14 H TYR 14 0.545 4.796 8.623
116 HA TYR 14 HA TYR 14 2.745 2.919 9.107
117 HB2 TYR 14 HB2 TYR 14 -0.207 2.823 9.486
118 HB3 TYR 14 HB3 TYR 14 0.618 1.310 9.126
119 HD1 TYR 14 HD1 TYR 14 1.341 0.053 10.917
120 HD2 TYR 14 HD2 TYR 14 1.015 4.269 11.382
121 HE1 TYR 14 HE1 TYR 14 1.980 -0.165 13.282
122 HE2 TYR 14 HE2 TYR 14 1.654 4.064 13.748
123 HH TYR 14 HH TYR 14 2.659 0.979 15.118
124 H CYS 15 H CYS 15 3.633 1.867 7.469
125 HA CYS 15 HA CYS 15 2.076 1.558 4.984
126 HB2 CYS 15 HB2 CYS 15 5.076 1.851 5.259
127 HB3 CYS 15 HB3 CYS 15 4.187 1.672 3.749
128 H ARG 16 H ARG 16 2.745 -0.313 3.639
129 HA ARG 16 HA ARG 16 2.497 -2.713 4.986
130 HB2 ARG 16 HB2 ARG 16 3.306 -3.774 2.868
131 HB3 ARG 16 HB3 ARG 16 2.014 -2.602 2.643
132 HG2 ARG 16 HG2 ARG 16 3.391 -1.075 1.615
133 HG3 ARG 16 HG3 ARG 16 4.849 -1.724 2.368
134 HD2 ARG 16 HD2 ARG 16 4.272 -3.852 0.968
135 HD3 ARG 16 HD3 ARG 16 3.326 -2.722 0.000
136 HE ARG 16 HE ARG 16 5.779 -1.545 0.227
137 HH11 ARG 16 HH11 ARG 16 4.616 -4.624 -0.907
138 HH12 ARG 16 HH12 ARG 16 5.888 -4.824 -2.067
139 HH21 ARG 16 HH21 ARG 16 7.457 -1.796 -1.297
140 HH22 ARG 16 HH22 ARG 16 7.504 -3.215 -2.287
141 H GLY 17 H GLY 17 3.905 -4.318 5.655
142 HA2 GLY 17 HA2 GLY 17 6.467 -4.852 5.293
143 HA3 GLY 17 HA3 GLY 17 6.609 -3.384 6.249
144 H ARG 18 H ARG 18 5.554 -3.388 8.385
145 HA ARG 18 HA ARG 18 5.751 -6.060 9.598
146 HB2 ARG 18 HB2 ARG 18 6.411 -3.313 10.547
147 HB3 ARG 18 HB3 ARG 18 5.867 -4.486 11.739
148 HG2 ARG 18 HG2 ARG 18 7.709 -5.858 11.418
149 HG3 ARG 18 HG3 ARG 18 8.076 -5.160 9.840
150 HD2 ARG 18 HD2 ARG 18 9.710 -4.349 11.365
151 HD3 ARG 18 HD3 ARG 18 8.612 -3.014 11.018
152 HE ARG 18 HE ARG 18 7.734 -4.372 13.319
153 HH11 ARG 18 HH11 ARG 18 10.299 -2.284 12.233
154 HH12 ARG 18 HH12 ARG 18 10.573 -1.591 13.797
155 HH21 ARG 18 HH21 ARG 18 8.085 -3.467 15.383
156 HH22 ARG 18 HH22 ARG 18 9.314 -2.265 15.588
157 HN1 NH2 19 H1 NH2 19 4.020 -6.965 10.519
158 HN2 NH2 19 H2 NH2 19 2.515 -6.228 10.852
Start of MODEL 2
1 H PCA 1 H PCA 1 1.130 0.297 -0.679
2 HA PCA 1 HA PCA 1 1.414 2.496 -0.319
3 HB2 PCA 1 HB2 PCA 1 -1.102 3.607 0.123
4 HB3 PCA 1 HB3 PCA 1 -0.573 3.177 -1.513
5 HG2 PCA 1 HG2 PCA 1 -2.224 1.477 0.434
6 HG3 PCA 1 HG3 PCA 1 -2.511 1.751 -1.298
7 H CYS 2 H CYS 2 0.406 4.092 1.445
8 HA CYS 2 HA CYS 2 0.547 2.629 3.999
9 HB2 CYS 2 HB2 CYS 2 1.429 5.478 3.519
10 HB3 CYS 2 HB3 CYS 2 1.713 4.498 4.954
11 H ARG 3 H ARG 3 -0.548 3.645 5.829
12 HA ARG 3 HA ARG 3 -2.912 5.189 4.984
13 HB2 ARG 3 HB2 ARG 3 -2.658 2.785 6.720
14 HB3 ARG 3 HB3 ARG 3 -3.856 3.989 7.174
15 HG2 ARG 3 HG2 ARG 3 -3.794 3.036 4.357
16 HG3 ARG 3 HG3 ARG 3 -4.464 1.978 5.602
17 HD2 ARG 3 HD2 ARG 3 -6.269 3.239 4.701
18 HD3 ARG 3 HD3 ARG 3 -5.928 3.888 6.304
19 HE ARG 3 HE ARG 3 -5.317 5.875 5.337
20 HH11 ARG 3 HH11 ARG 3 -5.492 3.406 2.889
21 HH12 ARG 3 HH12 ARG 3 -5.306 4.516 1.572
22 HH21 ARG 3 HH21 ARG 3 -5.071 7.345 3.612
23 HH22 ARG 3 HH22 ARG 3 -5.067 6.756 1.984
24 H ARG 4 H ARG 4 -3.203 7.081 5.965
25 HA ARG 4 HA ARG 4 -1.577 7.673 8.341
26 HB2 ARG 4 HB2 ARG 4 -1.089 9.135 6.481
27 HB3 ARG 4 HB3 ARG 4 -2.796 9.501 6.270
28 HG2 ARG 4 HG2 ARG 4 -2.824 10.609 8.453
29 HG3 ARG 4 HG3 ARG 4 -1.105 10.258 8.642
30 HD2 ARG 4 HD2 ARG 4 -0.662 11.558 6.580
31 HD3 ARG 4 HD3 ARG 4 -2.372 11.976 6.512
32 HE ARG 4 HE ARG 4 -1.600 12.772 8.996
33 HH11 ARG 4 HH11 ARG 4 -0.458 13.405 5.768
34 HH12 ARG 4 HH12 ARG 4 0.121 14.995 6.145
35 HH21 ARG 4 HH21 ARG 4 -0.842 14.862 9.503
36 HH22 ARG 4 HH22 ARG 4 -0.098 15.822 8.270
37 H LEU 5 H LEU 5 -2.550 7.939 10.237
38 HA LEU 5 HA LEU 5 -5.411 8.631 10.269
39 HB2 LEU 5 HB2 LEU 5 -4.175 6.864 12.345
40 HB3 LEU 5 HB3 LEU 5 -5.876 7.067 11.933
41 HG LEU 5 HG LEU 5 -5.060 5.994 9.645
42 HD11 LEU 5 HD11 LEU 5 -3.465 4.075 10.565
43 HD12 LEU 5 HD12 LEU 5 -2.921 5.393 11.602
44 HD13 LEU 5 HD13 LEU 5 -2.843 5.562 9.848
45 HD21 LEU 5 HD21 LEU 5 -6.768 5.186 11.339
46 HD22 LEU 5 HD22 LEU 5 -5.464 4.240 12.054
47 HD23 LEU 5 HD23 LEU 5 -5.955 3.945 10.385
48 H CYS 6 H CYS 6 -6.011 10.204 11.653
49 HA CYS 6 HA CYS 6 -3.988 11.193 13.554
50 HB2 CYS 6 HB2 CYS 6 -5.817 12.739 11.721
51 HB3 CYS 6 HB3 CYS 6 -5.068 13.476 13.134
52 H TYR 7 H TYR 7 -4.626 11.255 15.602
53 HA TYR 7 HA TYR 7 -7.326 11.897 16.350
54 HB2 TYR 7 HB2 TYR 7 -7.127 9.325 15.763
55 HB3 TYR 7 HB3 TYR 7 -6.429 9.238 17.377
56 HD1 TYR 7 HD1 TYR 7 -7.888 8.699 19.072
57 HD2 TYR 7 HD2 TYR 7 -9.371 10.855 15.717
58 HE1 TYR 7 HE1 TYR 7 -10.145 8.652 20.047
59 HE2 TYR 7 HE2 TYR 7 -11.632 10.816 16.684
60 HH TYR 7 HH TYR 7 -12.744 8.912 18.686
61 H LYS 8 H LYS 8 -7.421 12.733 18.370
62 HA LYS 8 HA LYS 8 -6.653 13.698 20.285
63 HB2 LYS 8 HB2 LYS 8 -5.181 11.066 20.519
64 HB3 LYS 8 HB3 LYS 8 -5.458 12.201 21.834
65 HG2 LYS 8 HG2 LYS 8 -7.970 11.874 21.195
66 HG3 LYS 8 HG3 LYS 8 -7.377 10.382 20.463
67 HD2 LYS 8 HD2 LYS 8 -6.347 9.773 22.626
68 HD3 LYS 8 HD3 LYS 8 -7.043 11.230 23.340
69 HE2 LYS 8 HE2 LYS 8 -9.261 10.434 22.979
70 HE3 LYS 8 HE3 LYS 8 -8.683 9.087 21.999
71 HZ1 LYS 8 HZ1 LYS 8 -7.378 8.778 24.366
72 HZ2 LYS 8 HZ2 LYS 8 -8.752 7.921 23.877
73 HZ3 LYS 8 HZ3 LYS 8 -8.915 9.298 24.846
74 H GLN 9 H GLN 9 -5.236 14.449 17.992
75 HA GLN 9 HA GLN 9 -3.365 15.590 17.379
76 HB2 GLN 9 HB2 GLN 9 -2.444 15.380 20.241
77 HB3 GLN 9 HB3 GLN 9 -2.040 16.622 19.062
78 HG2 GLN 9 HG2 GLN 9 -4.301 17.469 19.123
79 HG3 GLN 9 HG3 GLN 9 -4.784 16.171 20.215
80 HE21 GLN 9 HE21 GLN 9 -4.841 19.102 20.526
81 HE22 GLN 9 HE22 GLN 9 -3.952 19.430 21.971
82 H ARG 10 H ARG 10 -3.401 12.732 17.200
83 HA ARG 10 HA ARG 10 -0.508 12.217 17.334
84 HB2 ARG 10 HB2 ARG 10 -1.868 10.989 19.101
85 HB3 ARG 10 HB3 ARG 10 -2.600 10.091 17.778
86 HG2 ARG 10 HG2 ARG 10 -0.079 9.639 17.147
87 HG3 ARG 10 HG3 ARG 10 0.159 9.961 18.866
88 HD2 ARG 10 HD2 ARG 10 -0.156 7.635 18.703
89 HD3 ARG 10 HD3 ARG 10 -1.690 8.277 19.288
90 HE ARG 10 HE ARG 10 -1.937 8.180 16.555
91 HH11 ARG 10 HH11 ARG 10 -1.263 5.896 19.095
92 HH12 ARG 10 HH12 ARG 10 -1.984 4.559 18.262
93 HH21 ARG 10 HH21 ARG 10 -2.886 6.427 15.448
94 HH22 ARG 10 HH22 ARG 10 -2.906 4.860 16.188
95 H CYS 11 H CYS 11 0.027 12.426 15.233
96 HA CYS 11 HA CYS 11 -1.548 10.911 13.259
97 HB2 CYS 11 HB2 CYS 11 0.221 13.334 12.866
98 HB3 CYS 11 HB3 CYS 11 -0.574 12.451 11.566
99 H VAL 12 H VAL 12 -0.610 9.264 12.230
100 HA VAL 12 HA VAL 12 2.299 9.138 12.018
101 HB VAL 12 HB VAL 12 2.224 6.707 12.740
102 HG11 VAL 12 HG11 VAL 12 2.670 7.234 14.988
103 HG12 VAL 12 HG12 VAL 12 3.081 8.694 14.084
104 HG13 VAL 12 HG13 VAL 12 1.559 8.603 14.973
105 HG21 VAL 12 HG21 VAL 12 -0.355 6.739 12.642
106 HG22 VAL 12 HG22 VAL 12 0.430 5.857 13.952
107 HG23 VAL 12 HG23 VAL 12 -0.253 7.456 14.250
108 H THR 13 H THR 13 3.053 7.724 10.389
109 HA THR 13 HA THR 13 0.970 6.928 8.463
110 HB THR 13 HB THR 13 3.669 7.091 7.373
111 HG1 THR 13 HG1 THR 13 2.530 9.586 8.051
112 HG21 THR 13 HG21 THR 13 2.535 8.376 5.642
113 HG22 THR 13 HG22 THR 13 1.096 8.500 6.654
114 HG23 THR 13 HG23 THR 13 1.608 6.929 6.037
115 H TYR 14 H TYR 14 0.614 4.806 8.725
116 HA TYR 14 HA TYR 14 2.906 3.020 9.133
117 HB2 TYR 14 HB2 TYR 14 -0.004 2.852 9.773
118 HB3 TYR 14 HB3 TYR 14 0.869 1.354 9.471
119 HD1 TYR 14 HD1 TYR 14 3.027 0.972 10.845
120 HD2 TYR 14 HD2 TYR 14 0.045 3.821 11.890
121 HE1 TYR 14 HE1 TYR 14 3.858 0.985 13.160
122 HE2 TYR 14 HE2 TYR 14 0.868 3.843 14.207
123 HH TYR 14 HH TYR 14 2.679 3.273 15.523
124 H CYS 15 H CYS 15 3.599 1.716 7.568
125 HA CYS 15 HA CYS 15 1.934 1.450 5.152
126 HB2 CYS 15 HB2 CYS 15 4.935 1.134 5.316
127 HB3 CYS 15 HB3 CYS 15 3.948 1.253 3.861
128 H ARG 16 H ARG 16 2.290 -0.584 3.911
129 HA ARG 16 HA ARG 16 1.651 -2.825 5.399
130 HB2 ARG 16 HB2 ARG 16 2.656 -2.400 2.620
131 HB3 ARG 16 HB3 ARG 16 2.598 -4.043 3.250
132 HG2 ARG 16 HG2 ARG 16 0.255 -2.154 3.130
133 HG3 ARG 16 HG3 ARG 16 0.592 -3.437 1.967
134 HD2 ARG 16 HD2 ARG 16 0.620 -4.971 4.062
135 HD3 ARG 16 HD3 ARG 16 -0.255 -3.648 4.829
136 HE ARG 16 HE ARG 16 -1.369 -4.500 2.313
137 HH11 ARG 16 HH11 ARG 16 -1.331 -4.984 5.760
138 HH12 ARG 16 HH12 ARG 16 -2.907 -5.701 5.807
139 HH21 ARG 16 HH21 ARG 16 -3.445 -5.444 2.362
140 HH22 ARG 16 HH22 ARG 16 -4.109 -5.963 3.874
141 H GLY 17 H GLY 17 2.762 -4.386 6.440
142 HA2 GLY 17 HA2 GLY 17 4.944 -5.694 6.304
143 HA3 GLY 17 HA3 GLY 17 5.700 -4.116 6.469
144 H ARG 18 H ARG 18 6.114 -3.372 8.456
145 HA ARG 18 HA ARG 18 5.906 -4.999 10.705
146 HB2 ARG 18 HB2 ARG 18 6.431 -2.073 10.316
147 HB3 ARG 18 HB3 ARG 18 6.253 -2.726 11.940
148 HG2 ARG 18 HG2 ARG 18 8.034 -4.457 11.114
149 HG3 ARG 18 HG3 ARG 18 8.397 -3.198 9.930
150 HD2 ARG 18 HD2 ARG 18 8.818 -1.605 11.694
151 HD3 ARG 18 HD3 ARG 18 8.321 -2.775 12.915
152 HE ARG 18 HE ARG 18 10.355 -4.029 11.644
153 HH11 ARG 18 HH11 ARG 18 10.017 -0.891 13.116
154 HH12 ARG 18 HH12 ARG 18 11.685 -0.780 13.569
155 HH21 ARG 18 HH21 ARG 18 12.554 -3.893 12.235
156 HH22 ARG 18 HH22 ARG 18 13.128 -2.487 13.066
157 HN1 NH2 19 H1 NH2 19 4.460 -5.202 12.347
158 HN2 NH2 19 H2 NH2 19 2.924 -4.459 12.434
Start of MODEL 3
1 H PCA 1 H PCA 1 1.302 0.002 -0.446
2 HA PCA 1 HA PCA 1 1.082 2.237 -0.391
3 HB2 PCA 1 HB2 PCA 1 -1.540 2.805 0.357
4 HB3 PCA 1 HB3 PCA 1 -1.162 2.264 -1.287
5 HG2 PCA 1 HG2 PCA 1 -2.044 0.552 1.099
6 HG3 PCA 1 HG3 PCA 1 -2.636 0.487 -0.576
7 H CYS 2 H CYS 2 -0.096 3.793 1.344
8 HA CYS 2 HA CYS 2 0.692 2.781 3.999
9 HB2 CYS 2 HB2 CYS 2 1.124 5.564 2.890
10 HB3 CYS 2 HB3 CYS 2 1.530 5.037 4.521
11 H ARG 3 H ARG 3 -0.280 4.001 5.818
12 HA ARG 3 HA ARG 3 -2.892 5.166 5.142
13 HB2 ARG 3 HB2 ARG 3 -2.299 2.824 6.881
14 HB3 ARG 3 HB3 ARG 3 -3.554 3.933 7.414
15 HG2 ARG 3 HG2 ARG 3 -4.433 3.624 4.964
16 HG3 ARG 3 HG3 ARG 3 -3.492 2.135 5.046
17 HD2 ARG 3 HD2 ARG 3 -4.825 1.220 6.674
18 HD3 ARG 3 HD3 ARG 3 -5.321 2.792 7.301
19 HE ARG 3 HE ARG 3 -7.079 2.778 5.837
20 HH11 ARG 3 HH11 ARG 3 -4.753 0.387 4.840
21 HH12 ARG 3 HH12 ARG 3 -5.772 -0.280 3.610
22 HH21 ARG 3 HH21 ARG 3 -8.431 1.906 4.220
23 HH22 ARG 3 HH22 ARG 3 -7.864 0.586 3.256
24 H ARG 4 H ARG 4 -3.342 7.002 6.192
25 HA ARG 4 HA ARG 4 -1.609 7.745 8.456
26 HB2 ARG 4 HB2 ARG 4 -1.177 9.193 6.593
27 HB3 ARG 4 HB3 ARG 4 -2.895 9.457 6.331
28 HG2 ARG 4 HG2 ARG 4 -3.093 10.865 8.161
29 HG3 ARG 4 HG3 ARG 4 -1.616 10.256 8.911
30 HD2 ARG 4 HD2 ARG 4 -1.574 11.721 6.291
31 HD3 ARG 4 HD3 ARG 4 -1.540 12.577 7.833
32 HE ARG 4 HE ARG 4 0.466 10.782 8.083
33 HH11 ARG 4 HH11 ARG 4 -0.342 13.140 5.652
34 HH12 ARG 4 HH12 ARG 4 1.304 13.419 5.189
35 HH21 ARG 4 HH21 ARG 4 2.637 11.142 7.483
36 HH22 ARG 4 HH22 ARG 4 2.998 12.281 6.231
37 H LEU 5 H LEU 5 -2.586 7.872 10.357
38 HA LEU 5 HA LEU 5 -5.453 8.545 10.426
39 HB2 LEU 5 HB2 LEU 5 -4.143 6.805 12.481
40 HB3 LEU 5 HB3 LEU 5 -5.857 6.978 12.108
41 HG LEU 5 HG LEU 5 -5.093 5.917 9.806
42 HD11 LEU 5 HD11 LEU 5 -2.682 5.916 10.964
43 HD12 LEU 5 HD12 LEU 5 -3.187 4.702 9.790
44 HD13 LEU 5 HD13 LEU 5 -3.267 4.347 11.515
45 HD21 LEU 5 HD21 LEU 5 -5.702 4.560 12.410
46 HD22 LEU 5 HD22 LEU 5 -5.498 3.643 10.917
47 HD23 LEU 5 HD23 LEU 5 -6.771 4.859 11.040
48 H CYS 6 H CYS 6 -5.865 10.364 11.478
49 HA CYS 6 HA CYS 6 -3.938 11.282 13.510
50 HB2 CYS 6 HB2 CYS 6 -5.649 12.809 11.558
51 HB3 CYS 6 HB3 CYS 6 -4.961 13.579 12.984
52 H TYR 7 H TYR 7 -4.636 11.459 15.535
53 HA TYR 7 HA TYR 7 -7.310 12.226 16.197
54 HB2 TYR 7 HB2 TYR 7 -7.251 9.639 15.624
55 HB3 TYR 7 HB3 TYR 7 -6.629 9.523 17.267
56 HD1 TYR 7 HD1 TYR 7 -8.184 9.106 18.910
57 HD2 TYR 7 HD2 TYR 7 -9.392 11.296 15.468
58 HE1 TYR 7 HE1 TYR 7 -10.478 9.214 19.790
59 HE2 TYR 7 HE2 TYR 7 -11.690 11.409 16.340
60 HH TYR 7 HH TYR 7 -12.479 10.516 19.558
61 H LYS 8 H LYS 8 -7.423 13.055 18.224
62 HA LYS 8 HA LYS 8 -6.652 13.980 20.158
63 HB2 LYS 8 HB2 LYS 8 -5.415 11.232 20.401
64 HB3 LYS 8 HB3 LYS 8 -5.529 12.394 21.716
65 HG2 LYS 8 HG2 LYS 8 -8.091 12.332 21.069
66 HG3 LYS 8 HG3 LYS 8 -7.642 10.741 20.449
67 HD2 LYS 8 HD2 LYS 8 -6.733 11.505 23.179
68 HD3 LYS 8 HD3 LYS 8 -8.430 11.078 22.949
69 HE2 LYS 8 HE2 LYS 8 -7.331 9.076 23.545
70 HE3 LYS 8 HE3 LYS 8 -7.607 8.977 21.806
71 HZ1 LYS 8 HZ1 LYS 8 -5.430 8.946 21.393
72 HZ2 LYS 8 HZ2 LYS 8 -5.236 8.564 23.028
73 HZ3 LYS 8 HZ3 LYS 8 -5.085 10.168 22.512
74 H GLN 9 H GLN 9 -5.128 14.650 17.915
75 HA GLN 9 HA GLN 9 -3.174 15.673 17.360
76 HB2 GLN 9 HB2 GLN 9 -2.380 15.398 20.256
77 HB3 GLN 9 HB3 GLN 9 -1.813 16.590 19.096
78 HG2 GLN 9 HG2 GLN 9 -3.981 17.639 19.046
79 HG3 GLN 9 HG3 GLN 9 -4.641 16.390 20.102
80 HE21 GLN 9 HE21 GLN 9 -3.432 16.157 22.218
81 HE22 GLN 9 HE22 GLN 9 -2.995 17.624 23.020
82 H ARG 10 H ARG 10 -3.382 12.823 17.166
83 HA ARG 10 HA ARG 10 -0.531 12.129 17.378
84 HB2 ARG 10 HB2 ARG 10 -2.029 10.983 19.096
85 HB3 ARG 10 HB3 ARG 10 -2.753 10.125 17.742
86 HG2 ARG 10 HG2 ARG 10 -0.367 9.401 17.167
87 HG3 ARG 10 HG3 ARG 10 0.044 9.944 18.797
88 HD2 ARG 10 HD2 ARG 10 -0.405 7.625 18.958
89 HD3 ARG 10 HD3 ARG 10 -1.805 8.453 19.634
90 HE ARG 10 HE ARG 10 -2.095 7.831 16.849
91 HH11 ARG 10 HH11 ARG 10 -2.425 6.604 20.090
92 HH12 ARG 10 HH12 ARG 10 -3.611 5.417 19.660
93 HH21 ARG 10 HH21 ARG 10 -3.656 6.272 16.270
94 HH22 ARG 10 HH22 ARG 10 -4.309 5.229 17.486
95 H CYS 11 H CYS 11 0.069 12.324 15.291
96 HA CYS 11 HA CYS 11 -1.535 10.906 13.268
97 HB2 CYS 11 HB2 CYS 11 0.348 13.253 12.966
98 HB3 CYS 11 HB3 CYS 11 -0.386 12.397 11.614
99 H VAL 12 H VAL 12 -0.657 9.224 12.240
100 HA VAL 12 HA VAL 12 2.246 8.933 12.123
101 HB VAL 12 HB VAL 12 2.020 6.508 12.805
102 HG11 VAL 12 HG11 VAL 12 2.525 6.992 14.997
103 HG12 VAL 12 HG12 VAL 12 2.774 8.564 14.236
104 HG13 VAL 12 HG13 VAL 12 1.284 8.238 15.123
105 HG21 VAL 12 HG21 VAL 12 -0.473 6.478 12.561
106 HG22 VAL 12 HG22 VAL 12 0.126 5.809 14.079
107 HG23 VAL 12 HG23 VAL 12 -0.568 7.429 14.044
108 H THR 13 H THR 13 2.977 7.525 10.488
109 HA THR 13 HA THR 13 0.915 6.825 8.501
110 HB THR 13 HB THR 13 3.627 6.998 7.446
111 HG1 THR 13 HG1 THR 13 4.127 8.772 8.505
112 HG21 THR 13 HG21 THR 13 1.600 6.884 6.069
113 HG22 THR 13 HG22 THR 13 2.512 8.360 5.747
114 HG23 THR 13 HG23 THR 13 1.056 8.421 6.742
115 H TYR 14 H TYR 14 0.547 4.702 8.671
116 HA TYR 14 HA TYR 14 2.809 2.889 9.110
117 HB2 TYR 14 HB2 TYR 14 -0.115 2.744 9.641
118 HB3 TYR 14 HB3 TYR 14 0.713 1.237 9.263
119 HD1 TYR 14 HD1 TYR 14 2.120 0.180 10.857
120 HD2 TYR 14 HD2 TYR 14 0.616 4.087 11.620
121 HE1 TYR 14 HE1 TYR 14 2.890 0.014 13.186
122 HE2 TYR 14 HE2 TYR 14 1.384 3.932 13.953
123 HH TYR 14 HH TYR 14 1.882 2.053 15.607
124 H CYS 15 H CYS 15 3.687 1.946 7.403
125 HA CYS 15 HA CYS 15 2.034 1.547 4.999
126 HB2 CYS 15 HB2 CYS 15 5.048 1.693 5.172
127 HB3 CYS 15 HB3 CYS 15 4.082 1.619 3.702
128 H ARG 16 H ARG 16 2.284 -0.402 3.801
129 HA ARG 16 HA ARG 16 2.527 -2.716 5.454
130 HB2 ARG 16 HB2 ARG 16 1.991 -3.975 3.436
131 HB3 ARG 16 HB3 ARG 16 0.916 -2.592 3.602
132 HG2 ARG 16 HG2 ARG 16 2.084 -1.386 1.909
133 HG3 ARG 16 HG3 ARG 16 3.360 -2.604 1.851
134 HD2 ARG 16 HD2 ARG 16 0.477 -2.956 1.041
135 HD3 ARG 16 HD3 ARG 16 1.877 -2.898 -0.029
136 HE ARG 16 HE ARG 16 2.288 -4.973 1.781
137 HH11 ARG 16 HH11 ARG 16 0.096 -4.141 -0.793
138 HH12 ARG 16 HH12 ARG 16 -0.218 -5.787 -1.234
139 HH21 ARG 16 HH21 ARG 16 1.882 -7.144 1.211
140 HH22 ARG 16 HH22 ARG 16 0.798 -7.495 -0.093
141 H GLY 17 H GLY 17 4.135 -4.213 5.584
142 HA2 GLY 17 HA2 GLY 17 6.075 -5.196 4.280
143 HA3 GLY 17 HA3 GLY 17 6.639 -3.536 4.174
144 H ARG 18 H ARG 18 8.522 -4.851 5.165
145 HA ARG 18 HA ARG 18 8.356 -5.558 7.916
146 HB2 ARG 18 HB2 ARG 18 10.080 -6.269 6.079
147 HB3 ARG 18 HB3 ARG 18 10.938 -4.820 6.589
148 HG2 ARG 18 HG2 ARG 18 10.070 -6.872 8.586
149 HG3 ARG 18 HG3 ARG 18 11.561 -7.068 7.662
150 HD2 ARG 18 HD2 ARG 18 12.246 -4.793 8.461
151 HD3 ARG 18 HD3 ARG 18 10.840 -4.814 9.526
152 HE ARG 18 HE ARG 18 12.149 -7.120 10.125
153 HH11 ARG 18 HH11 ARG 18 13.066 -3.763 9.998
154 HH12 ARG 18 HH12 ARG 18 14.264 -3.909 11.241
155 HH21 ARG 18 HH21 ARG 18 13.722 -7.325 11.762
156 HH22 ARG 18 HH22 ARG 18 14.637 -5.936 12.243
157 HN1 NH2 19 H1 NH2 19 8.015 -4.134 9.487
158 HN2 NH2 19 H2 NH2 19 8.681 -2.571 9.648
Start of MODEL 4
1 H PCA 1 H PCA 1 1.882 0.343 -0.525
2 HA PCA 1 HA PCA 1 0.462 2.078 -0.391
3 HB2 PCA 1 HB2 PCA 1 -1.967 1.104 0.563
4 HB3 PCA 1 HB3 PCA 1 -1.479 0.835 -1.119
5 HG2 PCA 1 HG2 PCA 1 -1.074 -1.035 1.276
6 HG3 PCA 1 HG3 PCA 1 -1.657 -1.447 -0.352
7 H CYS 2 H CYS 2 0.044 3.467 1.162
8 HA CYS 2 HA CYS 2 0.558 2.610 3.935
9 HB2 CYS 2 HB2 CYS 2 1.340 5.238 2.658
10 HB3 CYS 2 HB3 CYS 2 1.674 4.750 4.314
11 H ARG 3 H ARG 3 -0.440 3.891 5.606
12 HA ARG 3 HA ARG 3 -2.708 5.537 4.747
13 HB2 ARG 3 HB2 ARG 3 -2.821 3.004 6.321
14 HB3 ARG 3 HB3 ARG 3 -3.940 4.297 6.735
15 HG2 ARG 3 HG2 ARG 3 -4.426 4.287 4.163
16 HG3 ARG 3 HG3 ARG 3 -3.772 2.650 4.262
17 HD2 ARG 3 HD2 ARG 3 -6.003 2.249 4.631
18 HD3 ARG 3 HD3 ARG 3 -5.421 2.442 6.283
19 HE ARG 3 HE ARG 3 -6.227 4.947 5.362
20 HH11 ARG 3 HH11 ARG 3 -7.622 1.847 6.115
21 HH12 ARG 3 HH12 ARG 3 -9.164 2.503 6.556
22 HH21 ARG 3 HH21 ARG 3 -8.253 5.822 5.941
23 HH22 ARG 3 HH22 ARG 3 -9.522 4.763 6.457
24 H ARG 4 H ARG 4 -3.259 7.176 6.143
25 HA ARG 4 HA ARG 4 -1.532 7.479 8.511
26 HB2 ARG 4 HB2 ARG 4 -1.291 9.081 6.471
27 HB3 ARG 4 HB3 ARG 4 -2.776 9.803 7.078
28 HG2 ARG 4 HG2 ARG 4 -1.617 10.112 9.278
29 HG3 ARG 4 HG3 ARG 4 -0.125 9.604 8.482
30 HD2 ARG 4 HD2 ARG 4 -0.070 11.939 8.385
31 HD3 ARG 4 HD3 ARG 4 -0.618 11.447 6.784
32 HE ARG 4 HE ARG 4 -2.914 11.851 8.208
33 HH11 ARG 4 HH11 ARG 4 -0.113 13.771 7.439
34 HH12 ARG 4 HH12 ARG 4 -0.975 15.273 7.459
35 HH21 ARG 4 HH21 ARG 4 -4.060 13.824 8.237
36 HH22 ARG 4 HH22 ARG 4 -3.221 15.303 7.914
37 H LEU 5 H LEU 5 -2.464 7.887 10.437
38 HA LEU 5 HA LEU 5 -5.356 8.436 10.476
39 HB2 LEU 5 HB2 LEU 5 -3.971 6.724 12.516
40 HB3 LEU 5 HB3 LEU 5 -5.701 6.910 12.236
41 HG LEU 5 HG LEU 5 -5.054 5.845 9.892
42 HD11 LEU 5 HD11 LEU 5 -3.371 3.979 10.490
43 HD12 LEU 5 HD12 LEU 5 -2.828 5.093 11.745
44 HD13 LEU 5 HD13 LEU 5 -2.758 5.574 10.050
45 HD21 LEU 5 HD21 LEU 5 -6.308 4.997 12.202
46 HD22 LEU 5 HD22 LEU 5 -5.121 3.732 11.882
47 HD23 LEU 5 HD23 LEU 5 -6.305 4.163 10.648
48 H CYS 6 H CYS 6 -5.864 10.218 11.554
49 HA CYS 6 HA CYS 6 -3.956 11.233 13.560
50 HB2 CYS 6 HB2 CYS 6 -5.717 12.673 11.587
51 HB3 CYS 6 HB3 CYS 6 -5.083 13.485 13.014
52 H TYR 7 H TYR 7 -4.656 11.385 15.585
53 HA TYR 7 HA TYR 7 -7.354 12.065 16.250
54 HB2 TYR 7 HB2 TYR 7 -7.202 9.477 15.693
55 HB3 TYR 7 HB3 TYR 7 -6.575 9.395 17.335
56 HD1 TYR 7 HD1 TYR 7 -8.086 9.059 19.045
57 HD2 TYR 7 HD2 TYR 7 -9.428 10.926 15.464
58 HE1 TYR 7 HE1 TYR 7 -10.382 9.090 19.928
59 HE2 TYR 7 HE2 TYR 7 -11.727 10.962 16.338
60 HH TYR 7 HH TYR 7 -12.993 10.701 18.199
61 H LYS 8 H LYS 8 -7.501 12.887 18.280
62 HA LYS 8 HA LYS 8 -6.760 13.850 20.207
63 HB2 LYS 8 HB2 LYS 8 -5.438 11.143 20.434
64 HB3 LYS 8 HB3 LYS 8 -5.526 12.307 21.750
65 HG2 LYS 8 HG2 LYS 8 -7.949 12.188 21.724
66 HG3 LYS 8 HG3 LYS 8 -7.895 11.073 20.358
67 HD2 LYS 8 HD2 LYS 8 -8.204 9.721 22.264
68 HD3 LYS 8 HD3 LYS 8 -6.498 9.556 21.844
69 HE2 LYS 8 HE2 LYS 8 -6.050 11.397 23.525
70 HE3 LYS 8 HE3 LYS 8 -7.718 11.191 24.055
71 HZ1 LYS 8 HZ1 LYS 8 -7.276 8.971 24.707
72 HZ2 LYS 8 HZ2 LYS 8 -6.036 9.921 25.356
73 HZ3 LYS 8 HZ3 LYS 8 -5.746 8.977 23.982
74 H GLN 9 H GLN 9 -5.275 14.580 17.956
75 HA GLN 9 HA GLN 9 -3.371 15.686 17.390
76 HB2 GLN 9 HB2 GLN 9 -2.536 15.448 20.277
77 HB3 GLN 9 HB3 GLN 9 -2.052 16.673 19.111
78 HG2 GLN 9 HG2 GLN 9 -4.649 17.146 19.064
79 HG3 GLN 9 HG3 GLN 9 -4.564 16.416 20.667
80 HE21 GLN 9 HE21 GLN 9 -3.004 17.353 22.176
81 HE22 GLN 9 HE22 GLN 9 -2.699 19.053 22.105
82 H ARG 10 H ARG 10 -3.459 12.831 17.200
83 HA ARG 10 HA ARG 10 -0.579 12.258 17.397
84 HB2 ARG 10 HB2 ARG 10 -1.993 11.049 19.128
85 HB3 ARG 10 HB3 ARG 10 -2.727 10.177 17.790
86 HG2 ARG 10 HG2 ARG 10 -0.390 9.460 17.145
87 HG3 ARG 10 HG3 ARG 10 0.131 10.100 18.706
88 HD2 ARG 10 HD2 ARG 10 -1.236 8.557 19.888
89 HD3 ARG 10 HD3 ARG 10 -2.070 8.069 18.412
90 HE ARG 10 HE ARG 10 0.569 7.468 17.976
91 HH11 ARG 10 HH11 ARG 10 -1.824 6.612 20.355
92 HH12 ARG 10 HH12 ARG 10 -1.145 5.050 20.668
93 HH21 ARG 10 HH21 ARG 10 1.474 5.413 18.379
94 HH22 ARG 10 HH22 ARG 10 0.732 4.369 19.543
95 H CYS 11 H CYS 11 0.013 12.461 15.311
96 HA CYS 11 HA CYS 11 -1.550 10.990 13.291
97 HB2 CYS 11 HB2 CYS 11 0.252 13.401 12.997
98 HB3 CYS 11 HB3 CYS 11 -0.429 12.513 11.639
99 H VAL 12 H VAL 12 -0.627 9.327 12.274
100 HA VAL 12 HA VAL 12 2.281 9.127 12.137
101 HB VAL 12 HB VAL 12 2.144 6.704 12.850
102 HG11 VAL 12 HG11 VAL 12 2.532 7.210 15.102
103 HG12 VAL 12 HG12 VAL 12 2.936 8.701 14.247
104 HG13 VAL 12 HG13 VAL 12 1.393 8.556 15.089
105 HG21 VAL 12 HG21 VAL 12 -0.337 6.562 12.631
106 HG22 VAL 12 HG22 VAL 12 0.283 5.971 14.173
107 HG23 VAL 12 HG23 VAL 12 -0.473 7.561 14.078
108 H THR 13 H THR 13 3.041 7.704 10.520
109 HA THR 13 HA THR 13 0.984 6.933 8.554
110 HB THR 13 HB THR 13 3.681 7.139 7.475
111 HG1 THR 13 HG1 THR 13 2.469 9.501 8.519
112 HG21 THR 13 HG21 THR 13 1.694 6.988 6.083
113 HG22 THR 13 HG22 THR 13 2.509 8.527 5.803
114 HG23 THR 13 HG23 THR 13 1.054 8.468 6.798
115 H TYR 14 H TYR 14 0.667 4.804 8.649
116 HA TYR 14 HA TYR 14 2.998 3.048 9.033
117 HB2 TYR 14 HB2 TYR 14 0.157 2.879 9.893
118 HB3 TYR 14 HB3 TYR 14 0.956 1.372 9.462
119 HD1 TYR 14 HD1 TYR 14 3.545 1.403 10.490
120 HD2 TYR 14 HD2 TYR 14 0.096 3.248 12.161
121 HE1 TYR 14 HE1 TYR 14 4.582 1.309 12.717
122 HE2 TYR 14 HE2 TYR 14 1.123 3.161 14.394
123 HH TYR 14 HH TYR 14 3.046 1.518 15.471
124 H CYS 15 H CYS 15 3.611 1.756 7.426
125 HA CYS 15 HA CYS 15 1.839 1.519 5.089
126 HB2 CYS 15 HB2 CYS 15 4.846 1.217 5.248
127 HB3 CYS 15 HB3 CYS 15 3.878 1.094 3.783
128 H ARG 16 H ARG 16 1.661 -0.491 4.014
129 HA ARG 16 HA ARG 16 1.315 -2.712 5.651
130 HB2 ARG 16 HB2 ARG 16 1.544 -2.365 2.679
131 HB3 ARG 16 HB3 ARG 16 1.416 -3.975 3.374
132 HG2 ARG 16 HG2 ARG 16 -0.566 -1.830 4.041
133 HG3 ARG 16 HG3 ARG 16 -0.726 -2.822 2.590
134 HD2 ARG 16 HD2 ARG 16 -0.258 -4.194 5.184
135 HD3 ARG 16 HD3 ARG 16 -1.854 -3.504 4.888
136 HE ARG 16 HE ARG 16 -0.960 -5.087 2.694
137 HH11 ARG 16 HH11 ARG 16 -2.355 -5.257 5.880
138 HH12 ARG 16 HH12 ARG 16 -3.135 -6.778 5.598
139 HH21 ARG 16 HH21 ARG 16 -1.982 -7.091 2.313
140 HH22 ARG 16 HH22 ARG 16 -2.920 -7.821 3.570
141 H GLY 17 H GLY 17 2.496 -4.587 6.016
142 HA2 GLY 17 HA2 GLY 17 4.375 -6.021 5.671
143 HA3 GLY 17 HA3 GLY 17 5.251 -4.655 4.999
144 H ARG 18 H ARG 18 6.493 -3.413 6.311
145 HA ARG 18 HA ARG 18 7.224 -4.438 8.841
146 HB2 ARG 18 HB2 ARG 18 7.851 -1.830 7.459
147 HB3 ARG 18 HB3 ARG 18 8.535 -2.278 9.016
148 HG2 ARG 18 HG2 ARG 18 8.812 -4.163 6.731
149 HG3 ARG 18 HG3 ARG 18 9.833 -2.724 6.789
150 HD2 ARG 18 HD2 ARG 18 11.143 -4.241 7.914
151 HD3 ARG 18 HD3 ARG 18 10.267 -3.494 9.247
152 HE ARG 18 HE ARG 18 8.758 -5.666 8.472
153 HH11 ARG 18 HH11 ARG 18 11.981 -5.112 9.664
154 HH12 ARG 18 HH12 ARG 18 12.094 -6.651 10.453
155 HH21 ARG 18 HH21 ARG 18 8.894 -7.694 9.507
156 HH22 ARG 18 HH22 ARG 18 10.338 -8.120 10.362
157 HN1 NH2 19 H1 NH2 19 5.928 -1.190 8.128
158 HN2 NH2 19 H2 NH2 19 5.005 -0.999 9.552
Start of MODEL 5
1 H PCA 1 H PCA 1 1.217 -0.258 -0.449
2 HA PCA 1 HA PCA 1 1.320 1.986 -0.433
3 HB2 PCA 1 HB2 PCA 1 -1.247 2.940 0.074
4 HB3 PCA 1 HB3 PCA 1 -0.809 2.315 -1.527
5 HG2 PCA 1 HG2 PCA 1 -2.137 0.799 0.784
6 HG3 PCA 1 HG3 PCA 1 -2.582 0.786 -0.937
7 H CYS 2 H CYS 2 0.225 3.729 1.180
8 HA CYS 2 HA CYS 2 0.679 2.676 3.895
9 HB2 CYS 2 HB2 CYS 2 1.452 5.389 2.800
10 HB3 CYS 2 HB3 CYS 2 1.682 4.854 4.461
11 H ARG 3 H ARG 3 -0.309 3.993 5.632
12 HA ARG 3 HA ARG 3 -2.722 5.426 4.766
13 HB2 ARG 3 HB2 ARG 3 -2.539 3.011 6.504
14 HB3 ARG 3 HB3 ARG 3 -3.725 4.239 6.926
15 HG2 ARG 3 HG2 ARG 3 -4.362 4.030 4.383
16 HG3 ARG 3 HG3 ARG 3 -3.609 2.442 4.562
17 HD2 ARG 3 HD2 ARG 3 -5.900 2.118 5.013
18 HD3 ARG 3 HD3 ARG 3 -5.100 2.117 6.583
19 HE ARG 3 HE ARG 3 -5.877 4.712 6.187
20 HH11 ARG 3 HH11 ARG 3 -7.476 1.621 6.268
21 HH12 ARG 3 HH12 ARG 3 -8.975 2.265 6.855
22 HH21 ARG 3 HH21 ARG 3 -7.844 5.571 6.961
23 HH22 ARG 3 HH22 ARG 3 -9.182 4.512 7.248
24 H ARG 4 H ARG 4 -3.421 7.063 6.131
25 HA ARG 4 HA ARG 4 -1.573 7.740 8.324
26 HB2 ARG 4 HB2 ARG 4 -1.695 9.206 6.165
27 HB3 ARG 4 HB3 ARG 4 -3.190 9.805 6.874
28 HG2 ARG 4 HG2 ARG 4 -1.681 10.177 8.981
29 HG3 ARG 4 HG3 ARG 4 -0.380 10.156 7.790
30 HD2 ARG 4 HD2 ARG 4 -1.051 12.426 8.088
31 HD3 ARG 4 HD3 ARG 4 -1.637 11.898 6.510
32 HE ARG 4 HE ARG 4 -3.580 11.574 8.589
33 HH11 ARG 4 HH11 ARG 4 -2.183 13.832 6.338
34 HH12 ARG 4 HH12 ARG 4 -3.584 14.848 6.286
35 HH21 ARG 4 HH21 ARG 4 -5.431 12.906 8.531
36 HH22 ARG 4 HH22 ARG 4 -5.432 14.322 7.535
37 H LEU 5 H LEU 5 -2.421 7.934 10.294
38 HA LEU 5 HA LEU 5 -5.334 8.303 10.533
39 HB2 LEU 5 HB2 LEU 5 -3.634 6.650 12.388
40 HB3 LEU 5 HB3 LEU 5 -5.390 6.800 12.395
41 HG LEU 5 HG LEU 5 -4.080 5.687 9.964
42 HD11 LEU 5 HD11 LEU 5 -4.728 3.529 11.668
43 HD12 LEU 5 HD12 LEU 5 -3.652 4.602 12.561
44 HD13 LEU 5 HD13 LEU 5 -3.155 3.960 10.996
45 HD21 LEU 5 HD21 LEU 5 -6.167 4.223 10.171
46 HD22 LEU 5 HD22 LEU 5 -6.400 5.926 9.772
47 HD23 LEU 5 HD23 LEU 5 -6.685 5.358 11.418
48 H CYS 6 H CYS 6 -5.887 10.054 11.638
49 HA CYS 6 HA CYS 6 -3.956 11.166 13.568
50 HB2 CYS 6 HB2 CYS 6 -5.794 12.544 11.621
51 HB3 CYS 6 HB3 CYS 6 -5.146 13.383 13.027
52 H TYR 7 H TYR 7 -4.627 11.326 15.604
53 HA TYR 7 HA TYR 7 -7.332 11.928 16.306
54 HB2 TYR 7 HB2 TYR 7 -7.101 9.337 15.769
55 HB3 TYR 7 HB3 TYR 7 -6.468 9.295 17.411
56 HD1 TYR 7 HD1 TYR 7 -7.961 8.969 19.141
57 HD2 TYR 7 HD2 TYR 7 -9.375 10.684 15.514
58 HE1 TYR 7 HE1 TYR 7 -10.255 8.942 20.029
59 HE2 TYR 7 HE2 TYR 7 -11.673 10.664 16.391
60 HH TYR 7 HH TYR 7 -12.358 9.779 19.718
61 H LYS 8 H LYS 8 -7.469 12.764 18.331
62 HA LYS 8 HA LYS 8 -6.725 13.763 20.240
63 HB2 LYS 8 HB2 LYS 8 -5.377 11.069 20.446
64 HB3 LYS 8 HB3 LYS 8 -5.373 12.250 21.749
65 HG2 LYS 8 HG2 LYS 8 -7.952 12.193 21.461
66 HG3 LYS 8 HG3 LYS 8 -7.643 10.657 20.648
67 HD2 LYS 8 HD2 LYS 8 -6.428 11.212 23.326
68 HD3 LYS 8 HD3 LYS 8 -8.109 10.688 23.207
69 HE2 LYS 8 HE2 LYS 8 -7.537 8.618 22.348
70 HE3 LYS 8 HE3 LYS 8 -5.975 9.180 21.758
71 HZ1 LYS 8 HZ1 LYS 8 -5.850 7.709 23.731
72 HZ2 LYS 8 HZ2 LYS 8 -6.651 8.895 24.634
73 HZ3 LYS 8 HZ3 LYS 8 -5.129 9.223 23.970
74 H GLN 9 H GLN 9 -5.297 14.518 17.962
75 HA GLN 9 HA GLN 9 -3.433 15.670 17.357
76 HB2 GLN 9 HB2 GLN 9 -2.550 15.473 20.234
77 HB3 GLN 9 HB3 GLN 9 -2.107 16.699 19.054
78 HG2 GLN 9 HG2 GLN 9 -4.652 17.206 19.017
79 HG3 GLN 9 HG3 GLN 9 -4.658 16.357 20.562
80 HE21 GLN 9 HE21 GLN 9 -2.451 17.117 21.799
81 HE22 GLN 9 HE22 GLN 9 -2.404 18.828 22.031
82 H ARG 10 H ARG 10 -3.446 12.812 17.184
83 HA ARG 10 HA ARG 10 -0.550 12.318 17.335
84 HB2 ARG 10 HB2 ARG 10 -1.934 11.087 19.092
85 HB3 ARG 10 HB3 ARG 10 -2.613 10.163 17.758
86 HG2 ARG 10 HG2 ARG 10 -0.369 9.391 17.158
87 HG3 ARG 10 HG3 ARG 10 0.299 10.302 18.515
88 HD2 ARG 10 HD2 ARG 10 -0.005 7.907 19.026
89 HD3 ARG 10 HD3 ARG 10 -0.945 8.958 20.084
90 HE ARG 10 HE ARG 10 -2.469 8.097 17.841
91 HH11 ARG 10 HH11 ARG 10 -1.259 7.078 20.942
92 HH12 ARG 10 HH12 ARG 10 -2.525 5.923 21.202
93 HH21 ARG 10 HH21 ARG 10 -4.140 6.579 18.172
94 HH22 ARG 10 HH22 ARG 10 -4.162 5.640 19.626
95 H CYS 11 H CYS 11 0.018 12.495 15.245
96 HA CYS 11 HA CYS 11 -1.555 10.994 13.257
97 HB2 CYS 11 HB2 CYS 11 0.198 13.435 12.944
98 HB3 CYS 11 HB3 CYS 11 -0.436 12.516 11.582
99 H VAL 12 H VAL 12 -0.630 9.331 12.245
100 HA VAL 12 HA VAL 12 2.278 9.157 12.068
101 HB VAL 12 HB VAL 12 2.177 6.741 12.807
102 HG11 VAL 12 HG11 VAL 12 3.129 8.521 14.197
103 HG12 VAL 12 HG12 VAL 12 1.534 8.832 14.886
104 HG13 VAL 12 HG13 VAL 12 2.334 7.286 15.175
105 HG21 VAL 12 HG21 VAL 12 0.348 5.970 14.113
106 HG22 VAL 12 HG22 VAL 12 -0.410 7.562 14.115
107 HG23 VAL 12 HG23 VAL 12 -0.332 6.624 12.622
108 H THR 13 H THR 13 3.030 7.736 10.450
109 HA THR 13 HA THR 13 0.957 6.953 8.506
110 HB THR 13 HB THR 13 3.665 7.095 7.437
111 HG1 THR 13 HG1 THR 13 4.000 8.822 8.781
112 HG21 THR 13 HG21 THR 13 2.541 8.419 5.709
113 HG22 THR 13 HG22 THR 13 1.088 8.494 6.706
114 HG23 THR 13 HG23 THR 13 1.641 6.946 6.066
115 H TYR 14 H TYR 14 0.587 4.834 8.753
116 HA TYR 14 HA TYR 14 2.882 3.037 9.136
117 HB2 TYR 14 HB2 TYR 14 0.021 2.934 9.946
118 HB3 TYR 14 HB3 TYR 14 0.800 1.406 9.554
119 HD1 TYR 14 HD1 TYR 14 3.180 1.084 10.703
120 HD2 TYR 14 HD2 TYR 14 0.112 3.663 12.132
121 HE1 TYR 14 HE1 TYR 14 4.173 1.009 12.953
122 HE2 TYR 14 HE2 TYR 14 1.096 3.596 14.386
123 HH TYR 14 HH TYR 14 3.136 1.378 15.435
124 H CYS 15 H CYS 15 3.486 1.683 7.572
125 HA CYS 15 HA CYS 15 1.722 1.413 5.226
126 HB2 CYS 15 HB2 CYS 15 4.723 1.066 5.275
127 HB3 CYS 15 HB3 CYS 15 3.682 1.165 3.859
128 H ARG 16 H ARG 16 1.827 -0.632 4.065
129 HA ARG 16 HA ARG 16 1.710 -2.855 5.877
130 HB2 ARG 16 HB2 ARG 16 1.240 -2.535 2.923
131 HB3 ARG 16 HB3 ARG 16 1.244 -4.122 3.682
132 HG2 ARG 16 HG2 ARG 16 -0.479 -1.982 4.828
133 HG3 ARG 16 HG3 ARG 16 -0.984 -2.797 3.347
134 HD2 ARG 16 HD2 ARG 16 -1.961 -4.145 4.924
135 HD3 ARG 16 HD3 ARG 16 -0.410 -4.959 4.717
136 HE ARG 16 HE ARG 16 -0.047 -3.138 6.754
137 HH11 ARG 16 HH11 ARG 16 -2.097 -5.884 6.142
138 HH12 ARG 16 HH12 ARG 16 -2.231 -6.321 7.814
139 HH21 ARG 16 HH21 ARG 16 -0.215 -3.702 8.957
140 HH22 ARG 16 HH22 ARG 16 -1.163 -5.079 9.414
141 H GLY 17 H GLY 17 3.134 -4.492 6.147
142 HA2 GLY 17 HA2 GLY 17 5.655 -4.302 4.620
143 HA3 GLY 17 HA3 GLY 17 5.542 -4.869 6.280
144 H ARG 18 H ARG 18 6.411 -6.014 3.527
145 HA ARG 18 HA ARG 18 4.738 -8.411 3.472
146 HB2 ARG 18 HB2 ARG 18 5.268 -7.300 1.334
147 HB3 ARG 18 HB3 ARG 18 6.982 -7.561 1.633
148 HG2 ARG 18 HG2 ARG 18 6.269 -9.227 0.109
149 HG3 ARG 18 HG3 ARG 18 6.511 -10.019 1.666
150 HD2 ARG 18 HD2 ARG 18 4.085 -9.856 2.088
151 HD3 ARG 18 HD3 ARG 18 3.877 -9.143 0.489
152 HE ARG 18 HE ARG 18 5.199 -11.550 0.126
153 HH11 ARG 18 HH11 ARG 18 2.131 -10.455 1.354
154 HH12 ARG 18 HH12 ARG 18 1.287 -11.899 0.902
155 HH21 ARG 18 HH21 ARG 18 4.101 -13.457 -0.473
156 HH22 ARG 18 HH22 ARG 18 2.409 -13.606 -0.136
157 HN1 NH2 19 H1 NH2 19 5.317 -9.757 5.085
158 HN2 NH2 19 H2 NH2 19 6.880 -10.373 5.390
Start of MODEL 6
1 H PCA 1 H PCA 1 2.138 0.715 -0.592
2 HA PCA 1 HA PCA 1 0.465 2.196 -0.366
3 HB2 PCA 1 HB2 PCA 1 -1.719 0.840 0.705
4 HB3 PCA 1 HB3 PCA 1 -1.285 0.656 -1.003
5 HG2 PCA 1 HG2 PCA 1 -0.455 -1.127 1.349
6 HG3 PCA 1 HG3 PCA 1 -1.050 -1.626 -0.250
7 H CYS 2 H CYS 2 0.017 3.524 1.201
8 HA CYS 2 HA CYS 2 0.609 2.718 3.970
9 HB2 CYS 2 HB2 CYS 2 1.444 5.293 2.616
10 HB3 CYS 2 HB3 CYS 2 1.692 4.908 4.315
11 H ARG 3 H ARG 3 -0.490 3.857 5.613
12 HA ARG 3 HA ARG 3 -2.748 5.510 4.702
13 HB2 ARG 3 HB2 ARG 3 -4.093 4.415 6.550
14 HB3 ARG 3 HB3 ARG 3 -3.743 3.407 5.152
15 HG2 ARG 3 HG2 ARG 3 -2.101 2.182 6.325
16 HG3 ARG 3 HG3 ARG 3 -2.079 3.345 7.651
17 HD2 ARG 3 HD2 ARG 3 -4.574 2.721 7.922
18 HD3 ARG 3 HD3 ARG 3 -4.158 1.303 6.959
19 HE ARG 3 HE ARG 3 -2.386 1.688 9.171
20 HH11 ARG 3 HH11 ARG 3 -5.489 0.423 8.227
21 HH12 ARG 3 HH12 ARG 3 -5.566 -0.718 9.529
22 HH21 ARG 3 HH21 ARG 3 -2.477 0.192 10.889
23 HH22 ARG 3 HH22 ARG 3 -3.852 -0.848 11.044
24 H ARG 4 H ARG 4 -3.420 7.140 6.105
25 HA ARG 4 HA ARG 4 -1.576 7.683 8.340
26 HB2 ARG 4 HB2 ARG 4 -1.472 9.236 6.339
27 HB3 ARG 4 HB3 ARG 4 -3.099 9.754 6.761
28 HG2 ARG 4 HG2 ARG 4 -2.372 10.679 8.814
29 HG3 ARG 4 HG3 ARG 4 -0.788 9.915 8.674
30 HD2 ARG 4 HD2 ARG 4 -0.295 12.055 8.005
31 HD3 ARG 4 HD3 ARG 4 -0.659 11.298 6.454
32 HE ARG 4 HE ARG 4 -2.999 12.426 7.569
33 HH11 ARG 4 HH11 ARG 4 -0.008 13.308 6.019
34 HH12 ARG 4 HH12 ARG 4 -0.637 14.777 5.350
35 HH21 ARG 4 HH21 ARG 4 -3.837 14.359 6.695
36 HH22 ARG 4 HH22 ARG 4 -2.815 15.376 5.737
37 H LEU 5 H LEU 5 -2.428 7.889 10.311
38 HA LEU 5 HA LEU 5 -5.338 8.291 10.538
39 HB2 LEU 5 HB2 LEU 5 -3.654 6.631 12.402
40 HB3 LEU 5 HB3 LEU 5 -5.409 6.790 12.400
41 HG LEU 5 HG LEU 5 -4.098 5.668 9.976
42 HD11 LEU 5 HD11 LEU 5 -3.642 4.595 12.558
43 HD12 LEU 5 HD12 LEU 5 -3.206 3.914 10.990
44 HD13 LEU 5 HD13 LEU 5 -4.766 3.529 11.716
45 HD21 LEU 5 HD21 LEU 5 -6.671 6.128 10.668
46 HD22 LEU 5 HD22 LEU 5 -6.482 4.456 11.200
47 HD23 LEU 5 HD23 LEU 5 -6.158 4.889 9.520
48 H CYS 6 H CYS 6 -5.878 10.058 11.620
49 HA CYS 6 HA CYS 6 -3.950 11.161 13.559
50 HB2 CYS 6 HB2 CYS 6 -5.785 12.540 11.608
51 HB3 CYS 6 HB3 CYS 6 -5.136 13.379 13.013
52 H TYR 7 H TYR 7 -4.623 11.351 15.592
53 HA TYR 7 HA TYR 7 -7.328 11.952 16.293
54 HB2 TYR 7 HB2 TYR 7 -7.104 9.358 15.764
55 HB3 TYR 7 HB3 TYR 7 -6.469 9.320 17.405
56 HD1 TYR 7 HD1 TYR 7 -7.924 9.313 19.240
57 HD2 TYR 7 HD2 TYR 7 -9.411 10.401 15.405
58 HE1 TYR 7 HE1 TYR 7 -10.217 9.294 20.129
59 HE2 TYR 7 HE2 TYR 7 -11.707 10.386 16.284
60 HH TYR 7 HH TYR 7 -12.868 9.092 18.380
61 H LYS 8 H LYS 8 -7.461 12.798 18.313
62 HA LYS 8 HA LYS 8 -6.716 13.801 20.219
63 HB2 LYS 8 HB2 LYS 8 -5.402 11.093 20.428
64 HB3 LYS 8 HB3 LYS 8 -5.349 12.281 21.725
65 HG2 LYS 8 HG2 LYS 8 -7.788 12.257 21.851
66 HG3 LYS 8 HG3 LYS 8 -7.842 11.064 20.549
67 HD2 LYS 8 HD2 LYS 8 -6.202 10.489 22.973
68 HD3 LYS 8 HD3 LYS 8 -7.956 10.318 23.066
69 HE2 LYS 8 HE2 LYS 8 -7.978 8.683 21.356
70 HE3 LYS 8 HE3 LYS 8 -6.310 9.031 20.902
71 HZ1 LYS 8 HZ1 LYS 8 -6.624 6.966 22.231
72 HZ2 LYS 8 HZ2 LYS 8 -7.091 7.925 23.542
73 HZ3 LYS 8 HZ3 LYS 8 -5.529 8.063 22.908
74 H GLN 9 H GLN 9 -5.284 14.540 17.939
75 HA GLN 9 HA GLN 9 -3.414 15.685 17.332
76 HB2 GLN 9 HB2 GLN 9 -2.545 15.495 20.214
77 HB3 GLN 9 HB3 GLN 9 -2.079 16.707 19.030
78 HG2 GLN 9 HG2 GLN 9 -4.739 16.362 20.375
79 HG3 GLN 9 HG3 GLN 9 -3.632 17.730 20.477
80 HE21 GLN 9 HE21 GLN 9 -6.430 17.709 19.734
81 HE22 GLN 9 HE22 GLN 9 -6.518 18.362 18.138
82 H ARG 10 H ARG 10 -3.438 12.825 17.172
83 HA ARG 10 HA ARG 10 -0.543 12.322 17.327
84 HB2 ARG 10 HB2 ARG 10 -2.010 11.102 19.071
85 HB3 ARG 10 HB3 ARG 10 -2.566 10.133 17.714
86 HG2 ARG 10 HG2 ARG 10 0.013 9.827 17.303
87 HG3 ARG 10 HG3 ARG 10 0.097 10.214 19.022
88 HD2 ARG 10 HD2 ARG 10 -0.120 7.934 19.113
89 HD3 ARG 10 HD3 ARG 10 -1.812 8.426 19.197
90 HE ARG 10 HE ARG 10 -0.994 8.010 16.509
91 HH11 ARG 10 HH11 ARG 10 -1.904 6.332 19.422
92 HH12 ARG 10 HH12 ARG 10 -2.486 4.930 18.587
93 HH21 ARG 10 HH21 ARG 10 -1.758 6.169 15.400
94 HH22 ARG 10 HH22 ARG 10 -2.402 4.837 16.300
95 H CYS 11 H CYS 11 0.025 12.490 15.236
96 HA CYS 11 HA CYS 11 -1.550 10.984 13.254
97 HB2 CYS 11 HB2 CYS 11 0.208 13.420 12.929
98 HB3 CYS 11 HB3 CYS 11 -0.431 12.497 11.573
99 H VAL 12 H VAL 12 -0.625 9.315 12.248
100 HA VAL 12 HA VAL 12 2.283 9.137 12.074
101 HB VAL 12 HB VAL 12 2.176 6.724 12.822
102 HG11 VAL 12 HG11 VAL 12 1.419 8.268 15.209
103 HG12 VAL 12 HG12 VAL 12 2.891 7.358 14.861
104 HG13 VAL 12 HG13 VAL 12 2.688 8.987 14.216
105 HG21 VAL 12 HG21 VAL 12 -0.501 7.623 13.882
106 HG22 VAL 12 HG22 VAL 12 -0.212 6.375 12.669
107 HG23 VAL 12 HG23 VAL 12 0.317 6.127 14.333
108 H THR 13 H THR 13 3.034 7.737 10.448
109 HA THR 13 HA THR 13 0.963 6.943 8.509
110 HB THR 13 HB THR 13 3.673 7.072 7.445
111 HG1 THR 13 HG1 THR 13 4.019 9.228 7.713
112 HG21 THR 13 HG21 THR 13 2.559 8.394 5.710
113 HG22 THR 13 HG22 THR 13 1.106 8.481 6.705
114 HG23 THR 13 HG23 THR 13 1.648 6.928 6.072
115 H TYR 14 H TYR 14 0.582 4.827 8.761
116 HA TYR 14 HA TYR 14 2.857 3.020 9.187
117 HB2 TYR 14 HB2 TYR 14 -0.032 2.922 9.889
118 HB3 TYR 14 HB3 TYR 14 0.761 1.393 9.521
119 HD1 TYR 14 HD1 TYR 14 3.117 1.099 10.753
120 HD2 TYR 14 HD2 TYR 14 -0.048 3.608 12.089
121 HE1 TYR 14 HE1 TYR 14 4.024 1.016 13.038
122 HE2 TYR 14 HE2 TYR 14 0.850 3.532 14.377
123 HH TYR 14 HH TYR 14 3.781 1.673 15.141
124 H CYS 15 H CYS 15 3.537 1.722 7.615
125 HA CYS 15 HA CYS 15 1.841 1.435 5.223
126 HB2 CYS 15 HB2 CYS 15 4.853 1.234 5.416
127 HB3 CYS 15 HB3 CYS 15 3.898 1.135 3.941
128 H ARG 16 H ARG 16 2.200 -0.605 3.986
129 HA ARG 16 HA ARG 16 1.650 -2.841 5.568
130 HB2 ARG 16 HB2 ARG 16 2.302 -2.392 2.699
131 HB3 ARG 16 HB3 ARG 16 2.411 -4.038 3.310
132 HG2 ARG 16 HG2 ARG 16 -0.042 -2.414 3.821
133 HG3 ARG 16 HG3 ARG 16 0.200 -3.200 2.259
134 HD2 ARG 16 HD2 ARG 16 0.552 -4.770 4.776
135 HD3 ARG 16 HD3 ARG 16 -1.073 -4.435 4.180
136 HE ARG 16 HE ARG 16 0.281 -5.424 2.016
137 HH11 ARG 16 HH11 ARG 16 -0.416 -6.545 5.238
138 HH12 ARG 16 HH12 ARG 16 -0.426 -8.221 4.792
139 HH21 ARG 16 HH21 ARG 16 0.269 -7.624 1.418
140 HH22 ARG 16 HH22 ARG 16 -0.036 -8.832 2.620
141 H GLY 17 H GLY 17 2.866 -4.469 6.401
142 HA2 GLY 17 HA2 GLY 17 5.299 -5.435 5.727
143 HA3 GLY 17 HA3 GLY 17 5.707 -3.989 6.640
144 H ARG 18 H ARG 18 5.204 -3.889 8.862
145 HA ARG 18 HA ARG 18 4.288 -6.381 10.103
146 HB2 ARG 18 HB2 ARG 18 6.839 -6.238 9.982
147 HB3 ARG 18 HB3 ARG 18 6.709 -4.917 11.136
148 HG2 ARG 18 HG2 ARG 18 5.296 -6.675 12.487
149 HG3 ARG 18 HG3 ARG 18 6.214 -7.822 11.510
150 HD2 ARG 18 HD2 ARG 18 7.620 -7.610 13.301
151 HD3 ARG 18 HD3 ARG 18 8.242 -6.325 12.267
152 HE ARG 18 HE ARG 18 6.295 -5.177 13.860
153 HH11 ARG 18 HH11 ARG 18 9.350 -6.789 14.301
154 HH12 ARG 18 HH12 ARG 18 9.742 -5.928 15.752
155 HH21 ARG 18 HH21 ARG 18 6.800 -4.038 15.769
156 HH22 ARG 18 HH22 ARG 18 8.291 -4.364 16.587
157 HN1 NH2 19 H1 NH2 19 2.683 -5.924 11.445
158 HN2 NH2 19 H2 NH2 19 2.445 -4.500 12.357
Start of MODEL 7
1 H PCA 1 H PCA 1 0.996 -0.772 0.151
2 HA PCA 1 HA PCA 1 0.927 1.451 -0.169
3 HB2 PCA 1 HB2 PCA 1 -1.657 2.305 0.420
4 HB3 PCA 1 HB3 PCA 1 -1.301 1.475 -1.103
5 HG2 PCA 1 HG2 PCA 1 -2.321 0.245 1.514
6 HG3 PCA 1 HG3 PCA 1 -2.899 -0.058 -0.140
7 H CYS 2 H CYS 2 0.017 3.374 1.226
8 HA CYS 2 HA CYS 2 0.674 2.759 4.033
9 HB2 CYS 2 HB2 CYS 2 1.296 5.269 2.461
10 HB3 CYS 2 HB3 CYS 2 1.654 5.023 4.167
11 H ARG 3 H ARG 3 -0.437 3.856 5.661
12 HA ARG 3 HA ARG 3 -2.745 5.467 4.818
13 HB2 ARG 3 HB2 ARG 3 -2.734 2.959 6.434
14 HB3 ARG 3 HB3 ARG 3 -3.877 4.221 6.872
15 HG2 ARG 3 HG2 ARG 3 -4.408 4.156 4.289
16 HG3 ARG 3 HG3 ARG 3 -3.763 2.519 4.444
17 HD2 ARG 3 HD2 ARG 3 -6.026 2.211 4.834
18 HD3 ARG 3 HD3 ARG 3 -5.366 2.336 6.463
19 HE ARG 3 HE ARG 3 -6.550 4.274 6.755
20 HH11 ARG 3 HH11 ARG 3 -6.431 3.508 3.360
21 HH12 ARG 3 HH12 ARG 3 -7.550 4.751 2.908
22 HH21 ARG 3 HH21 ARG 3 -8.024 5.913 6.172
23 HH22 ARG 3 HH22 ARG 3 -8.455 6.119 4.508
24 H ARG 4 H ARG 4 -3.277 7.148 6.147
25 HA ARG 4 HA ARG 4 -1.548 7.538 8.505
26 HB2 ARG 4 HB2 ARG 4 -1.202 9.086 6.519
27 HB3 ARG 4 HB3 ARG 4 -2.800 9.734 6.859
28 HG2 ARG 4 HG2 ARG 4 -2.095 10.522 9.004
29 HG3 ARG 4 HG3 ARG 4 -0.539 9.705 8.845
30 HD2 ARG 4 HD2 ARG 4 0.205 11.195 7.201
31 HD3 ARG 4 HD3 ARG 4 -1.427 11.772 6.861
32 HE ARG 4 HE ARG 4 -0.623 12.342 9.538
33 HH11 ARG 4 HH11 ARG 4 -0.327 13.399 6.234
34 HH12 ARG 4 HH12 ARG 4 -0.011 15.051 6.656
35 HH21 ARG 4 HH21 ARG 4 -0.209 14.511 10.104
36 HH22 ARG 4 HH22 ARG 4 0.058 15.681 8.856
37 H LEU 5 H LEU 5 -2.499 7.881 10.420
38 HA LEU 5 HA LEU 5 -5.382 8.477 10.453
39 HB2 LEU 5 HB2 LEU 5 -4.079 6.795 12.557
40 HB3 LEU 5 HB3 LEU 5 -5.784 6.914 12.128
41 HG LEU 5 HG LEU 5 -4.923 5.836 9.869
42 HD11 LEU 5 HD11 LEU 5 -2.862 5.022 9.877
43 HD12 LEU 5 HD12 LEU 5 -3.176 4.135 11.367
44 HD13 LEU 5 HD13 LEU 5 -2.592 5.797 11.438
45 HD21 LEU 5 HD21 LEU 5 -5.922 3.917 10.572
46 HD22 LEU 5 HD22 LEU 5 -6.457 4.994 11.861
47 HD23 LEU 5 HD23 LEU 5 -5.087 3.915 12.125
48 H CYS 6 H CYS 6 -5.894 10.240 11.562
49 HA CYS 6 HA CYS 6 -3.967 11.250 13.550
50 HB2 CYS 6 HB2 CYS 6 -5.761 12.701 11.612
51 HB3 CYS 6 HB3 CYS 6 -5.093 13.505 13.031
52 H TYR 7 H TYR 7 -4.643 11.383 15.585
53 HA TYR 7 HA TYR 7 -7.345 12.046 16.277
54 HB2 TYR 7 HB2 TYR 7 -7.168 9.459 15.724
55 HB3 TYR 7 HB3 TYR 7 -6.517 9.387 17.357
56 HD1 TYR 7 HD1 TYR 7 -7.967 9.260 19.174
57 HD2 TYR 7 HD2 TYR 7 -9.449 10.657 15.438
58 HE1 TYR 7 HE1 TYR 7 -10.249 9.265 20.088
59 HE2 TYR 7 HE2 TYR 7 -11.736 10.667 16.342
60 HH TYR 7 HH TYR 7 -12.463 10.595 19.506
61 H LYS 8 H LYS 8 -7.471 12.886 18.297
62 HA LYS 8 HA LYS 8 -6.719 13.864 20.213
63 HB2 LYS 8 HB2 LYS 8 -5.481 11.121 20.407
64 HB3 LYS 8 HB3 LYS 8 -5.367 12.301 21.706
65 HG2 LYS 8 HG2 LYS 8 -7.967 12.387 21.461
66 HG3 LYS 8 HG3 LYS 8 -7.741 10.810 20.701
67 HD2 LYS 8 HD2 LYS 8 -6.982 9.834 22.641
68 HD3 LYS 8 HD3 LYS 8 -6.400 11.361 23.307
69 HE2 LYS 8 HE2 LYS 8 -9.321 10.751 22.923
70 HE3 LYS 8 HE3 LYS 8 -8.452 10.363 24.406
71 HZ1 LYS 8 HZ1 LYS 8 -9.605 12.500 24.532
72 HZ2 LYS 8 HZ2 LYS 8 -8.689 13.083 23.236
73 HZ3 LYS 8 HZ3 LYS 8 -7.933 12.685 24.696
74 H GLN 9 H GLN 9 -5.256 14.584 17.943
75 HA GLN 9 HA GLN 9 -3.361 15.695 17.353
76 HB2 GLN 9 HB2 GLN 9 -2.501 15.481 20.235
77 HB3 GLN 9 HB3 GLN 9 -2.031 16.700 19.058
78 HG2 GLN 9 HG2 GLN 9 -4.421 17.441 19.005
79 HG3 GLN 9 HG3 GLN 9 -4.718 16.348 20.357
80 HE21 GLN 9 HE21 GLN 9 -4.821 19.322 20.063
81 HE22 GLN 9 HE22 GLN 9 -3.841 19.924 21.353
82 H ARG 10 H ARG 10 -3.437 12.838 17.183
83 HA ARG 10 HA ARG 10 -0.553 12.279 17.359
84 HB2 ARG 10 HB2 ARG 10 -1.885 11.073 19.124
85 HB3 ARG 10 HB3 ARG 10 -2.719 10.227 17.826
86 HG2 ARG 10 HG2 ARG 10 -0.373 9.516 17.060
87 HG3 ARG 10 HG3 ARG 10 0.144 10.019 18.670
88 HD2 ARG 10 HD2 ARG 10 -0.353 7.621 18.581
89 HD3 ARG 10 HD3 ARG 10 -1.436 8.474 19.682
90 HE ARG 10 HE ARG 10 -2.504 8.187 17.035
91 HH11 ARG 10 HH11 ARG 10 -2.105 6.642 20.129
92 HH12 ARG 10 HH12 ARG 10 -3.481 5.606 19.937
93 HH21 ARG 10 HH21 ARG 10 -4.317 6.829 16.769
94 HH22 ARG 10 HH22 ARG 10 -4.737 5.713 18.024
95 H CYS 11 H CYS 11 0.025 12.456 15.270
96 HA CYS 11 HA CYS 11 -1.556 10.973 13.276
97 HB2 CYS 11 HB2 CYS 11 0.250 13.375 12.945
98 HB3 CYS 11 HB3 CYS 11 -0.447 12.479 11.599
99 H VAL 12 H VAL 12 -0.645 9.299 12.265
100 HA VAL 12 HA VAL 12 2.263 9.091 12.110
101 HB VAL 12 HB VAL 12 2.105 6.664 12.834
102 HG11 VAL 12 HG11 VAL 12 1.550 8.781 14.909
103 HG12 VAL 12 HG12 VAL 12 2.294 7.208 15.203
104 HG13 VAL 12 HG13 VAL 12 3.125 8.407 14.214
105 HG21 VAL 12 HG21 VAL 12 0.246 6.113 14.363
106 HG22 VAL 12 HG22 VAL 12 -0.535 7.633 13.926
107 HG23 VAL 12 HG23 VAL 12 -0.295 6.383 12.706
108 H THR 13 H THR 13 3.008 7.661 10.494
109 HA THR 13 HA THR 13 0.937 6.882 8.547
110 HB THR 13 HB THR 13 3.597 7.031 7.414
111 HG1 THR 13 HG1 THR 13 4.124 8.712 8.686
112 HG21 THR 13 HG21 THR 13 1.592 7.008 6.065
113 HG22 THR 13 HG22 THR 13 2.429 8.543 5.826
114 HG23 THR 13 HG23 THR 13 1.000 8.469 6.858
115 H TYR 14 H TYR 14 0.608 4.758 8.619
116 HA TYR 14 HA TYR 14 2.913 2.984 9.068
117 HB2 TYR 14 HB2 TYR 14 0.037 2.829 9.809
118 HB3 TYR 14 HB3 TYR 14 0.846 1.318 9.404
119 HD1 TYR 14 HD1 TYR 14 2.836 0.599 10.734
120 HD2 TYR 14 HD2 TYR 14 0.436 3.920 11.878
121 HE1 TYR 14 HE1 TYR 14 3.778 0.491 13.005
122 HE2 TYR 14 HE2 TYR 14 1.372 3.822 14.150
123 HH TYR 14 HH TYR 14 3.821 1.401 15.025
124 H CYS 15 H CYS 15 3.635 1.827 7.415
125 HA CYS 15 HA CYS 15 1.909 1.524 5.052
126 HB2 CYS 15 HB2 CYS 15 4.924 1.370 5.263
127 HB3 CYS 15 HB3 CYS 15 3.990 1.206 3.779
128 H ARG 16 H ARG 16 1.831 -0.477 3.955
129 HA ARG 16 HA ARG 16 1.607 -2.734 5.581
130 HB2 ARG 16 HB2 ARG 16 1.410 -4.007 3.469
131 HB3 ARG 16 HB3 ARG 16 0.410 -2.561 3.482
132 HG2 ARG 16 HG2 ARG 16 1.297 -2.397 1.396
133 HG3 ARG 16 HG3 ARG 16 2.524 -1.511 2.304
134 HD2 ARG 16 HD2 ARG 16 4.026 -3.296 2.246
135 HD3 ARG 16 HD3 ARG 16 2.765 -4.464 1.859
136 HE ARG 16 HE ARG 16 3.153 -2.467 -0.171
137 HH11 ARG 16 HH11 ARG 16 4.205 -5.553 1.051
138 HH12 ARG 16 HH12 ARG 16 4.830 -6.089 -0.472
139 HH21 ARG 16 HH21 ARG 16 3.974 -3.163 -2.183
140 HH22 ARG 16 HH22 ARG 16 4.699 -4.729 -2.311
141 H GLY 17 H GLY 17 2.836 -4.689 5.636
142 HA2 GLY 17 HA2 GLY 17 4.967 -5.717 4.683
143 HA3 GLY 17 HA3 GLY 17 5.712 -4.209 5.194
144 H ARG 18 H ARG 18 4.920 -3.705 7.631
145 HA ARG 18 HA ARG 18 5.457 -6.160 9.174
146 HB2 ARG 18 HB2 ARG 18 6.422 -3.366 9.813
147 HB3 ARG 18 HB3 ARG 18 6.743 -4.814 10.757
148 HG2 ARG 18 HG2 ARG 18 7.637 -4.423 7.911
149 HG3 ARG 18 HG3 ARG 18 8.635 -4.082 9.326
150 HD2 ARG 18 HD2 ARG 18 8.390 -6.431 10.031
151 HD3 ARG 18 HD3 ARG 18 7.457 -6.753 8.571
152 HE ARG 18 HE ARG 18 9.407 -6.767 7.357
153 HH11 ARG 18 HH11 ARG 18 10.014 -5.473 10.532
154 HH12 ARG 18 HH12 ARG 18 11.737 -5.482 10.347
155 HH21 ARG 18 HH21 ARG 18 11.673 -6.783 7.103
156 HH22 ARG 18 HH22 ARG 18 12.680 -6.227 8.397
157 HN1 NH2 19 H1 NH2 19 5.066 -5.414 11.683
158 HN2 NH2 19 H2 NH2 19 3.490 -4.833 11.994
Start of MODEL 8
1 H PCA 1 H PCA 1 1.210 -0.304 -0.465
2 HA PCA 1 HA PCA 1 0.992 1.931 -0.449
3 HB2 PCA 1 HB2 PCA 1 -1.673 2.511 0.111
4 HB3 PCA 1 HB3 PCA 1 -1.185 1.951 -1.496
5 HG2 PCA 1 HG2 PCA 1 -2.233 0.265 0.840
6 HG3 PCA 1 HG3 PCA 1 -2.710 0.185 -0.872
7 H CYS 2 H CYS 2 0.127 3.587 1.142
8 HA CYS 2 HA CYS 2 0.533 2.557 3.873
9 HB2 CYS 2 HB2 CYS 2 1.300 5.281 2.802
10 HB3 CYS 2 HB3 CYS 2 1.629 4.661 4.417
11 H ARG 3 H ARG 3 -0.370 4.014 5.591
12 HA ARG 3 HA ARG 3 -2.734 5.512 4.751
13 HB2 ARG 3 HB2 ARG 3 -4.228 4.334 6.193
14 HB3 ARG 3 HB3 ARG 3 -3.402 3.132 5.211
15 HG2 ARG 3 HG2 ARG 3 -1.841 2.753 7.119
16 HG3 ARG 3 HG3 ARG 3 -2.861 3.818 8.087
17 HD2 ARG 3 HD2 ARG 3 -4.720 2.346 7.893
18 HD3 ARG 3 HD3 ARG 3 -3.903 1.377 6.669
19 HE ARG 3 HE ARG 3 -2.262 1.151 8.795
20 HH11 ARG 3 HH11 ARG 3 -5.695 0.718 8.399
21 HH12 ARG 3 HH12 ARG 3 -5.818 -0.485 9.639
22 HH21 ARG 3 HH21 ARG 3 -2.412 -0.432 10.430
23 HH22 ARG 3 HH22 ARG 3 -3.951 -1.137 10.795
24 H ARG 4 H ARG 4 -3.316 7.156 6.127
25 HA ARG 4 HA ARG 4 -1.561 7.560 8.462
26 HB2 ARG 4 HB2 ARG 4 -1.149 9.138 6.581
27 HB3 ARG 4 HB3 ARG 4 -2.812 9.691 6.720
28 HG2 ARG 4 HG2 ARG 4 -2.410 10.597 8.887
29 HG3 ARG 4 HG3 ARG 4 -0.811 9.854 8.959
30 HD2 ARG 4 HD2 ARG 4 -0.015 11.271 7.188
31 HD3 ARG 4 HD3 ARG 4 -1.633 11.920 6.925
32 HE ARG 4 HE ARG 4 -0.706 12.351 9.593
33 HH11 ARG 4 HH11 ARG 4 -0.539 13.540 6.324
34 HH12 ARG 4 HH12 ARG 4 -0.163 15.164 6.797
35 HH21 ARG 4 HH21 ARG 4 -0.211 14.485 10.227
36 HH22 ARG 4 HH22 ARG 4 0.025 15.700 9.016
37 H LEU 5 H LEU 5 -2.492 7.927 10.386
38 HA LEU 5 HA LEU 5 -5.384 8.478 10.447
39 HB2 LEU 5 HB2 LEU 5 -4.046 6.793 12.526
40 HB3 LEU 5 HB3 LEU 5 -5.756 6.905 12.121
41 HG LEU 5 HG LEU 5 -4.893 5.854 9.838
42 HD11 LEU 5 HD11 LEU 5 -2.804 5.166 11.872
43 HD12 LEU 5 HD12 LEU 5 -2.601 5.685 10.198
44 HD13 LEU 5 HD13 LEU 5 -3.194 4.063 10.552
45 HD21 LEU 5 HD21 LEU 5 -5.310 3.585 10.936
46 HD22 LEU 5 HD22 LEU 5 -6.600 4.785 11.029
47 HD23 LEU 5 HD23 LEU 5 -5.563 4.493 12.427
48 H CYS 6 H CYS 6 -5.908 10.225 11.575
49 HA CYS 6 HA CYS 6 -3.976 11.237 13.560
50 HB2 CYS 6 HB2 CYS 6 -5.783 12.701 11.642
51 HB3 CYS 6 HB3 CYS 6 -5.087 13.493 13.051
52 H TYR 7 H TYR 7 -4.655 11.379 15.594
53 HA TYR 7 HA TYR 7 -7.356 12.027 16.287
54 HB2 TYR 7 HB2 TYR 7 -7.182 9.446 15.724
55 HB3 TYR 7 HB3 TYR 7 -6.525 9.364 17.354
56 HD1 TYR 7 HD1 TYR 7 -8.015 8.943 19.059
57 HD2 TYR 7 HD2 TYR 7 -9.418 10.931 15.568
58 HE1 TYR 7 HE1 TYR 7 -10.296 8.940 19.981
59 HE2 TYR 7 HE2 TYR 7 -11.702 10.934 16.481
60 HH TYR 7 HH TYR 7 -13.041 9.762 18.095
61 H LYS 8 H LYS 8 -7.483 12.861 18.309
62 HA LYS 8 HA LYS 8 -6.735 13.833 20.230
63 HB2 LYS 8 HB2 LYS 8 -5.408 11.126 20.447
64 HB3 LYS 8 HB3 LYS 8 -5.465 12.296 21.759
65 HG2 LYS 8 HG2 LYS 8 -7.832 12.141 21.903
66 HG3 LYS 8 HG3 LYS 8 -7.920 11.197 20.413
67 HD2 LYS 8 HD2 LYS 8 -6.791 9.344 21.471
68 HD3 LYS 8 HD3 LYS 8 -6.529 10.294 22.935
69 HE2 LYS 8 HE2 LYS 8 -9.225 9.533 21.815
70 HE3 LYS 8 HE3 LYS 8 -8.409 8.706 23.142
71 HZ1 LYS 8 HZ1 LYS 8 -8.412 11.351 23.854
72 HZ2 LYS 8 HZ2 LYS 8 -9.419 10.142 24.474
73 HZ3 LYS 8 HZ3 LYS 8 -9.947 11.103 23.187
74 H GLN 9 H GLN 9 -5.270 14.558 17.959
75 HA GLN 9 HA GLN 9 -3.375 15.672 17.375
76 HB2 GLN 9 HB2 GLN 9 -2.503 15.462 20.251
77 HB3 GLN 9 HB3 GLN 9 -2.067 16.694 19.075
78 HG2 GLN 9 HG2 GLN 9 -4.834 16.280 20.179
79 HG3 GLN 9 HG3 GLN 9 -3.679 17.474 20.767
80 HE21 GLN 9 HE21 GLN 9 -6.191 16.893 18.653
81 HE22 GLN 9 HE22 GLN 9 -6.019 18.286 17.645
82 H ARG 10 H ARG 10 -3.445 12.814 17.206
83 HA ARG 10 HA ARG 10 -0.561 12.262 17.389
84 HB2 ARG 10 HB2 ARG 10 -1.958 11.060 19.140
85 HB3 ARG 10 HB3 ARG 10 -2.687 10.168 17.811
86 HG2 ARG 10 HG2 ARG 10 -0.773 8.985 17.369
87 HG3 ARG 10 HG3 ARG 10 0.279 10.223 18.058
88 HD2 ARG 10 HD2 ARG 10 -0.350 9.612 20.284
89 HD3 ARG 10 HD3 ARG 10 -1.606 8.530 19.686
90 HE ARG 10 HE ARG 10 0.965 7.791 18.715
91 HH11 ARG 10 HH11 ARG 10 -1.112 7.640 21.505
92 HH12 ARG 10 HH12 ARG 10 -0.382 6.200 22.133
93 HH21 ARG 10 HH21 ARG 10 1.937 5.896 19.533
94 HH22 ARG 10 HH22 ARG 10 1.353 5.210 21.011
95 H CYS 11 H CYS 11 0.003 12.467 15.293
96 HA CYS 11 HA CYS 11 -1.555 10.956 13.301
97 HB2 CYS 11 HB2 CYS 11 0.224 13.376 12.946
98 HB3 CYS 11 HB3 CYS 11 -0.513 12.482 11.620
99 H VAL 12 H VAL 12 -0.614 9.297 12.294
100 HA VAL 12 HA VAL 12 2.296 9.146 12.124
101 HB VAL 12 HB VAL 12 2.208 6.729 12.864
102 HG11 VAL 12 HG11 VAL 12 1.575 8.853 14.909
103 HG12 VAL 12 HG12 VAL 12 2.313 7.288 15.250
104 HG13 VAL 12 HG13 VAL 12 3.169 8.471 14.262
105 HG21 VAL 12 HG21 VAL 12 -0.444 7.585 14.021
106 HG22 VAL 12 HG22 VAL 12 -0.226 6.450 12.689
107 HG23 VAL 12 HG23 VAL 12 0.367 6.044 14.298
108 H THR 13 H THR 13 3.061 7.722 10.510
109 HA THR 13 HA THR 13 0.997 6.909 8.570
110 HB THR 13 HB THR 13 3.666 7.089 7.449
111 HG1 THR 13 HG1 THR 13 2.552 9.529 8.405
112 HG21 THR 13 HG21 THR 13 1.677 7.006 6.082
113 HG22 THR 13 HG22 THR 13 2.478 8.556 5.833
114 HG23 THR 13 HG23 THR 13 1.043 8.460 6.854
115 H TYR 14 H TYR 14 0.693 4.782 8.609
116 HA TYR 14 HA TYR 14 3.024 3.035 9.044
117 HB2 TYR 14 HB2 TYR 14 0.174 2.859 9.879
118 HB3 TYR 14 HB3 TYR 14 0.988 1.353 9.468
119 HD1 TYR 14 HD1 TYR 14 2.768 0.480 10.855
120 HD2 TYR 14 HD2 TYR 14 0.887 4.175 11.810
121 HE1 TYR 14 HE1 TYR 14 3.779 0.409 13.094
122 HE2 TYR 14 HE2 TYR 14 1.895 4.115 14.053
123 HH TYR 14 HH TYR 14 3.088 1.493 15.463
124 H CYS 15 H CYS 15 3.678 1.800 7.415
125 HA CYS 15 HA CYS 15 1.898 1.502 5.090
126 HB2 CYS 15 HB2 CYS 15 4.912 1.260 5.211
127 HB3 CYS 15 HB3 CYS 15 3.921 1.172 3.758
128 H ARG 16 H ARG 16 2.463 -0.546 3.771
129 HA ARG 16 HA ARG 16 1.777 -2.788 5.319
130 HB2 ARG 16 HB2 ARG 16 2.240 -4.087 3.243
131 HB3 ARG 16 HB3 ARG 16 1.182 -2.705 2.991
132 HG2 ARG 16 HG2 ARG 16 2.948 -1.443 2.000
133 HG3 ARG 16 HG3 ARG 16 4.138 -2.672 2.434
134 HD2 ARG 16 HD2 ARG 16 1.875 -2.939 0.459
135 HD3 ARG 16 HD3 ARG 16 3.602 -2.896 0.102
136 HE ARG 16 HE ARG 16 3.263 -5.025 1.803
137 HH11 ARG 16 HH11 ARG 16 2.014 -4.071 -1.303
138 HH12 ARG 16 HH12 ARG 16 1.799 -5.696 -1.862
139 HH21 ARG 16 HH21 ARG 16 2.983 -7.169 1.078
140 HH22 ARG 16 HH22 ARG 16 2.349 -7.458 -0.507
141 H GLY 17 H GLY 17 2.948 -4.579 5.993
142 HA2 GLY 17 HA2 GLY 17 5.661 -5.061 5.424
143 HA3 GLY 17 HA3 GLY 17 5.562 -4.126 6.909
144 H ARG 18 H ARG 18 6.666 -6.647 6.903
145 HA ARG 18 HA ARG 18 4.895 -8.001 8.753
146 HB2 ARG 18 HB2 ARG 18 5.119 -10.187 7.611
147 HB3 ARG 18 HB3 ARG 18 4.210 -9.017 6.664
148 HG2 ARG 18 HG2 ARG 18 6.370 -8.539 5.433
149 HG3 ARG 18 HG3 ARG 18 7.021 -9.974 6.229
150 HD2 ARG 18 HD2 ARG 18 4.713 -9.798 4.305
151 HD3 ARG 18 HD3 ARG 18 6.233 -10.667 4.101
152 HE ARG 18 HE ARG 18 5.125 -11.815 6.298
153 HH11 ARG 18 HH11 ARG 18 4.009 -11.212 3.055
154 HH12 ARG 18 HH12 ARG 18 2.967 -12.596 3.017
155 HH21 ARG 18 HH21 ARG 18 3.757 -13.639 6.260
156 HH22 ARG 18 HH22 ARG 18 2.825 -13.975 4.841
157 HN1 NH2 19 H1 NH2 19 5.993 -9.775 9.902
158 HN2 NH2 19 H2 NH2 19 7.683 -9.734 10.144
Start of MODEL 9
1 H PCA 1 H PCA 1 1.934 0.096 -0.403
2 HA PCA 1 HA PCA 1 0.819 2.045 -0.350
3 HB2 PCA 1 HB2 PCA 1 -1.798 1.495 0.427
4 HB3 PCA 1 HB3 PCA 1 -1.248 1.146 -1.219
5 HG2 PCA 1 HG2 PCA 1 -1.328 -0.764 1.178
6 HG3 PCA 1 HG3 PCA 1 -1.859 -1.075 -0.490
7 H CYS 2 H CYS 2 0.160 3.469 1.218
8 HA CYS 2 HA CYS 2 0.600 2.558 3.988
9 HB2 CYS 2 HB2 CYS 2 1.408 5.206 2.768
10 HB3 CYS 2 HB3 CYS 2 1.662 4.723 4.443
11 H ARG 3 H ARG 3 -0.354 4.001 5.648
12 HA ARG 3 HA ARG 3 -2.680 5.521 4.733
13 HB2 ARG 3 HB2 ARG 3 -4.185 4.392 6.258
14 HB3 ARG 3 HB3 ARG 3 -3.458 3.213 5.176
15 HG2 ARG 3 HG2 ARG 3 -1.983 2.443 6.889
16 HG3 ARG 3 HG3 ARG 3 -2.471 3.753 7.965
17 HD2 ARG 3 HD2 ARG 3 -3.728 2.009 8.782
18 HD3 ARG 3 HD3 ARG 3 -4.856 2.743 7.643
19 HE ARG 3 HE ARG 3 -3.448 0.805 6.248
20 HH11 ARG 3 HH11 ARG 3 -5.638 0.968 8.947
21 HH12 ARG 3 HH12 ARG 3 -6.294 -0.613 8.679
22 HH21 ARG 3 HH21 ARG 3 -4.302 -1.278 5.882
23 HH22 ARG 3 HH22 ARG 3 -5.533 -1.891 6.936
24 H ARG 4 H ARG 4 -3.279 7.190 6.073
25 HA ARG 4 HA ARG 4 -1.535 7.639 8.405
26 HB2 ARG 4 HB2 ARG 4 -1.376 9.190 6.345
27 HB3 ARG 4 HB3 ARG 4 -2.922 9.830 6.884
28 HG2 ARG 4 HG2 ARG 4 -2.024 10.820 8.743
29 HG3 ARG 4 HG3 ARG 4 -0.680 9.679 8.834
30 HD2 ARG 4 HD2 ARG 4 0.182 10.726 6.698
31 HD3 ARG 4 HD3 ARG 4 -1.030 11.985 6.932
32 HE ARG 4 HE ARG 4 0.270 11.981 9.289
33 HH11 ARG 4 HH11 ARG 4 1.372 12.104 5.989
34 HH12 ARG 4 HH12 ARG 4 2.790 13.029 6.360
35 HH21 ARG 4 HH21 ARG 4 2.132 13.199 9.789
36 HH22 ARG 4 HH22 ARG 4 3.222 13.650 8.522
37 H LEU 5 H LEU 5 -2.460 7.922 10.339
38 HA LEU 5 HA LEU 5 -5.358 8.434 10.437
39 HB2 LEU 5 HB2 LEU 5 -3.855 6.652 12.342
40 HB3 LEU 5 HB3 LEU 5 -5.598 6.905 12.261
41 HG LEU 5 HG LEU 5 -4.225 5.758 9.880
42 HD11 LEU 5 HD11 LEU 5 -4.169 4.564 12.519
43 HD12 LEU 5 HD12 LEU 5 -3.368 4.060 11.032
44 HD13 LEU 5 HD13 LEU 5 -5.026 3.555 11.353
45 HD21 LEU 5 HD21 LEU 5 -6.821 4.925 11.126
46 HD22 LEU 5 HD22 LEU 5 -6.303 4.810 9.443
47 HD23 LEU 5 HD23 LEU 5 -6.713 6.380 10.134
48 H CYS 6 H CYS 6 -5.881 10.177 11.571
49 HA CYS 6 HA CYS 6 -3.956 11.181 13.565
50 HB2 CYS 6 HB2 CYS 6 -5.762 12.641 11.649
51 HB3 CYS 6 HB3 CYS 6 -5.107 13.431 13.080
52 H TYR 7 H TYR 7 -4.630 11.235 15.600
53 HA TYR 7 HA TYR 7 -7.342 11.868 16.303
54 HB2 TYR 7 HB2 TYR 7 -7.122 9.291 15.723
55 HB3 TYR 7 HB3 TYR 7 -6.466 9.214 17.355
56 HD1 TYR 7 HD1 TYR 7 -7.975 8.628 18.986
57 HD2 TYR 7 HD2 TYR 7 -9.358 10.865 15.641
58 HE1 TYR 7 HE1 TYR 7 -10.256 8.582 19.905
59 HE2 TYR 7 HE2 TYR 7 -11.642 10.826 16.552
60 HH TYR 7 HH TYR 7 -12.629 10.568 19.036
61 H LYS 8 H LYS 8 -7.491 12.665 18.343
62 HA LYS 8 HA LYS 8 -6.758 13.633 20.272
63 HB2 LYS 8 HB2 LYS 8 -5.303 10.990 20.472
64 HB3 LYS 8 HB3 LYS 8 -5.490 12.129 21.798
65 HG2 LYS 8 HG2 LYS 8 -7.975 11.895 21.513
66 HG3 LYS 8 HG3 LYS 8 -7.644 10.571 20.395
67 HD2 LYS 8 HD2 LYS 8 -6.605 10.660 23.222
68 HD3 LYS 8 HD3 LYS 8 -8.124 9.884 22.769
69 HE2 LYS 8 HE2 LYS 8 -6.892 8.427 21.216
70 HE3 LYS 8 HE3 LYS 8 -5.381 9.185 21.718
71 HZ1 LYS 8 HZ1 LYS 8 -6.112 8.459 24.058
72 HZ2 LYS 8 HZ2 LYS 8 -5.479 7.291 23.012
73 HZ3 LYS 8 HZ3 LYS 8 -7.150 7.394 23.252
74 H GLN 9 H GLN 9 -5.331 14.434 18.007
75 HA GLN 9 HA GLN 9 -3.473 15.612 17.427
76 HB2 GLN 9 HB2 GLN 9 -2.573 15.379 20.293
77 HB3 GLN 9 HB3 GLN 9 -2.179 16.641 19.134
78 HG2 GLN 9 HG2 GLN 9 -4.755 16.171 20.588
79 HG3 GLN 9 HG3 GLN 9 -3.734 17.608 20.579
80 HE21 GLN 9 HE21 GLN 9 -6.493 16.230 19.366
81 HE22 GLN 9 HE22 GLN 9 -6.753 17.275 18.015
82 H ARG 10 H ARG 10 -3.465 12.756 17.211
83 HA ARG 10 HA ARG 10 -0.564 12.283 17.363
84 HB2 ARG 10 HB2 ARG 10 -1.902 11.011 19.105
85 HB3 ARG 10 HB3 ARG 10 -2.637 10.129 17.772
86 HG2 ARG 10 HG2 ARG 10 -0.971 8.678 18.125
87 HG3 ARG 10 HG3 ARG 10 -0.011 9.828 17.192
88 HD2 ARG 10 HD2 ARG 10 0.694 10.915 19.272
89 HD3 ARG 10 HD3 ARG 10 -0.260 9.757 20.197
90 HE ARG 10 HE ARG 10 1.605 8.444 18.499
91 HH11 ARG 10 HH11 ARG 10 1.327 10.190 21.499
92 HH12 ARG 10 HH12 ARG 10 2.705 9.425 22.222
93 HH21 ARG 10 HH21 ARG 10 3.419 7.430 19.439
94 HH22 ARG 10 HH22 ARG 10 3.894 7.857 21.049
95 H CYS 11 H CYS 11 0.052 12.436 15.295
96 HA CYS 11 HA CYS 11 -1.518 10.977 13.271
97 HB2 CYS 11 HB2 CYS 11 0.243 13.416 12.984
98 HB3 CYS 11 HB3 CYS 11 -0.420 12.522 11.620
99 H VAL 12 H VAL 12 -0.580 9.328 12.246
100 HA VAL 12 HA VAL 12 2.331 9.169 12.087
101 HB VAL 12 HB VAL 12 2.214 6.733 12.786
102 HG11 VAL 12 HG11 VAL 12 1.608 8.795 14.903
103 HG12 VAL 12 HG12 VAL 12 2.424 7.249 15.147
104 HG13 VAL 12 HG13 VAL 12 3.190 8.508 14.180
105 HG21 VAL 12 HG21 VAL 12 -0.291 7.513 14.236
106 HG22 VAL 12 HG22 VAL 12 -0.353 6.772 12.636
107 HG23 VAL 12 HG23 VAL 12 0.388 5.904 13.981
108 H THR 13 H THR 13 3.098 7.761 10.461
109 HA THR 13 HA THR 13 1.054 7.060 8.461
110 HB THR 13 HB THR 13 3.796 7.043 7.482
111 HG1 THR 13 HG1 THR 13 2.868 9.632 8.055
112 HG21 THR 13 HG21 THR 13 2.814 8.469 5.742
113 HG22 THR 13 HG22 THR 13 1.335 8.611 6.695
114 HG23 THR 13 HG23 THR 13 1.818 7.046 6.044
115 H TYR 14 H TYR 14 0.552 4.965 8.687
116 HA TYR 14 HA TYR 14 2.692 3.033 9.217
117 HB2 TYR 14 HB2 TYR 14 -0.242 3.083 9.693
118 HB3 TYR 14 HB3 TYR 14 0.486 1.520 9.348
119 HD1 TYR 14 HD1 TYR 14 2.647 0.970 10.760
120 HD2 TYR 14 HD2 TYR 14 -0.309 3.815 11.886
121 HE1 TYR 14 HE1 TYR 14 3.372 0.785 13.103
122 HE2 TYR 14 HE2 TYR 14 0.408 3.640 14.231
123 HH TYR 14 HH TYR 14 2.953 2.807 15.321
124 H CYS 15 H CYS 15 3.407 1.689 7.695
125 HA CYS 15 HA CYS 15 1.883 1.510 5.179
126 HB2 CYS 15 HB2 CYS 15 4.874 1.261 5.569
127 HB3 CYS 15 HB3 CYS 15 4.020 1.167 4.032
128 H ARG 16 H ARG 16 2.206 -0.517 3.954
129 HA ARG 16 HA ARG 16 1.634 -2.766 5.557
130 HB2 ARG 16 HB2 ARG 16 2.375 -2.531 2.639
131 HB3 ARG 16 HB3 ARG 16 1.880 -4.038 3.396
132 HG2 ARG 16 HG2 ARG 16 0.138 -1.615 3.564
133 HG3 ARG 16 HG3 ARG 16 0.135 -2.632 2.121
134 HD2 ARG 16 HD2 ARG 16 -1.579 -3.533 3.401
135 HD3 ARG 16 HD3 ARG 16 -0.212 -4.583 3.769
136 HE ARG 16 HE ARG 16 -0.406 -2.432 5.621
137 HH11 ARG 16 HH11 ARG 16 -1.776 -5.522 4.790
138 HH12 ARG 16 HH12 ARG 16 -2.296 -5.872 6.405
139 HH21 ARG 16 HH21 ARG 16 -1.085 -2.882 7.752
140 HH22 ARG 16 HH22 ARG 16 -1.903 -4.369 8.088
141 H GLY 17 H GLY 17 2.841 -4.570 6.089
142 HA2 GLY 17 HA2 GLY 17 5.290 -5.388 5.220
143 HA3 GLY 17 HA3 GLY 17 5.670 -4.121 6.376
144 H ARG 18 H ARG 18 4.385 -4.374 8.517
145 HA ARG 18 HA ARG 18 4.488 -7.216 9.295
146 HB2 ARG 18 HB2 ARG 18 5.155 -6.406 11.560
147 HB3 ARG 18 HB3 ARG 18 6.340 -6.064 10.305
148 HG2 ARG 18 HG2 ARG 18 5.393 -3.756 10.156
149 HG3 ARG 18 HG3 ARG 18 4.407 -4.137 11.569
150 HD2 ARG 18 HD2 ARG 18 7.407 -4.007 11.378
151 HD3 ARG 18 HD3 ARG 18 6.339 -3.004 12.358
152 HE ARG 18 HE ARG 18 5.871 -5.512 13.274
153 HH11 ARG 18 HH11 ARG 18 8.751 -3.610 12.812
154 HH12 ARG 18 HH12 ARG 18 9.610 -4.356 14.119
155 HH21 ARG 18 HH21 ARG 18 6.993 -6.503 14.996
156 HH22 ARG 18 HH22 ARG 18 8.609 -6.002 15.359
157 HN1 NH2 19 H1 NH2 19 2.875 -4.117 9.713
158 HN2 NH2 19 H2 NH2 19 1.445 -4.682 10.454
Start of MODEL 10
1 H PCA 1 H PCA 1 1.265 -0.312 -0.351
2 HA PCA 1 HA PCA 1 1.190 1.932 -0.362
3 HB2 PCA 1 HB2 PCA 1 -1.439 2.687 0.161
4 HB3 PCA 1 HB3 PCA 1 -0.970 2.078 -1.436
5 HG2 PCA 1 HG2 PCA 1 -2.148 0.491 0.908
6 HG3 PCA 1 HG3 PCA 1 -2.610 0.420 -0.807
7 H CYS 2 H CYS 2 0.182 3.644 1.218
8 HA CYS 2 HA CYS 2 0.670 2.647 3.949
9 HB2 CYS 2 HB2 CYS 2 1.302 5.372 2.793
10 HB3 CYS 2 HB3 CYS 2 1.580 4.882 4.461
11 H ARG 3 H ARG 3 -0.260 4.155 5.658
12 HA ARG 3 HA ARG 3 -2.762 5.420 4.829
13 HB2 ARG 3 HB2 ARG 3 -3.967 4.252 6.694
14 HB3 ARG 3 HB3 ARG 3 -3.502 3.209 5.356
15 HG2 ARG 3 HG2 ARG 3 -1.873 2.129 6.589
16 HG3 ARG 3 HG3 ARG 3 -1.729 3.453 7.747
17 HD2 ARG 3 HD2 ARG 3 -2.909 1.962 9.011
18 HD3 ARG 3 HD3 ARG 3 -4.243 2.827 8.247
19 HE ARG 3 HE ARG 3 -3.720 0.757 6.552
20 HH11 ARG 3 HH11 ARG 3 -4.470 1.024 9.941
21 HH12 ARG 3 HH12 ARG 3 -5.267 -0.512 10.019
22 HH21 ARG 3 HH21 ARG 3 -4.768 -1.267 6.641
23 HH22 ARG 3 HH22 ARG 3 -5.435 -1.814 8.143
24 H ARG 4 H ARG 4 -3.360 7.137 6.074
25 HA ARG 4 HA ARG 4 -1.572 7.800 8.319
26 HB2 ARG 4 HB2 ARG 4 -1.623 9.254 6.172
27 HB3 ARG 4 HB3 ARG 4 -3.166 9.832 6.786
28 HG2 ARG 4 HG2 ARG 4 -2.195 10.860 8.627
29 HG3 ARG 4 HG3 ARG 4 -0.717 9.905 8.498
30 HD2 ARG 4 HD2 ARG 4 -0.369 11.076 6.254
31 HD3 ARG 4 HD3 ARG 4 -1.623 12.199 6.783
32 HE ARG 4 HE ARG 4 0.494 11.862 8.693
33 HH11 ARG 4 HH11 ARG 4 -0.544 13.586 5.853
34 HH12 ARG 4 HH12 ARG 4 0.479 14.953 6.149
35 HH21 ARG 4 HH21 ARG 4 1.845 13.657 9.095
36 HH22 ARG 4 HH22 ARG 4 1.837 14.992 7.993
37 H LEU 5 H LEU 5 -2.446 7.962 10.276
38 HA LEU 5 HA LEU 5 -5.353 8.388 10.486
39 HB2 LEU 5 HB2 LEU 5 -3.714 6.670 12.337
40 HB3 LEU 5 HB3 LEU 5 -5.467 6.859 12.321
41 HG LEU 5 HG LEU 5 -4.137 5.749 9.896
42 HD11 LEU 5 HD11 LEU 5 -3.291 3.977 10.916
43 HD12 LEU 5 HD12 LEU 5 -4.884 3.590 11.565
44 HD13 LEU 5 HD13 LEU 5 -3.784 4.621 12.482
45 HD21 LEU 5 HD21 LEU 5 -6.294 4.301 10.167
46 HD22 LEU 5 HD22 LEU 5 -6.406 5.956 9.566
47 HD23 LEU 5 HD23 LEU 5 -6.792 5.601 11.250
48 H CYS 6 H CYS 6 -5.866 10.152 11.585
49 HA CYS 6 HA CYS 6 -3.938 11.189 13.558
50 HB2 CYS 6 HB2 CYS 6 -5.734 12.629 11.616
51 HB3 CYS 6 HB3 CYS 6 -5.083 13.435 13.039
52 H TYR 7 H TYR 7 -4.624 11.376 15.590
53 HA TYR 7 HA TYR 7 -7.322 12.004 16.280
54 HB2 TYR 7 HB2 TYR 7 -7.146 9.419 15.711
55 HB3 TYR 7 HB3 TYR 7 -6.511 9.338 17.351
56 HD1 TYR 7 HD1 TYR 7 -8.018 8.954 19.052
57 HD2 TYR 7 HD2 TYR 7 -9.380 10.879 15.509
58 HE1 TYR 7 HE1 TYR 7 -10.311 8.960 19.943
59 HE2 TYR 7 HE2 TYR 7 -11.677 10.890 16.392
60 HH TYR 7 HH TYR 7 -12.451 9.399 19.516
61 H LYS 8 H LYS 8 -7.457 12.821 18.311
62 HA LYS 8 HA LYS 8 -6.708 13.784 20.237
63 HB2 LYS 8 HB2 LYS 8 -5.413 11.064 20.427
64 HB3 LYS 8 HB3 LYS 8 -5.407 12.228 21.744
65 HG2 LYS 8 HG2 LYS 8 -7.968 12.221 21.472
66 HG3 LYS 8 HG3 LYS 8 -7.711 10.728 20.568
67 HD2 LYS 8 HD2 LYS 8 -6.920 9.588 22.419
68 HD3 LYS 8 HD3 LYS 8 -6.453 11.069 23.257
69 HE2 LYS 8 HE2 LYS 8 -8.670 11.559 23.852
70 HE3 LYS 8 HE3 LYS 8 -9.326 10.425 22.673
71 HZ1 LYS 8 HZ1 LYS 8 -7.691 9.545 24.978
72 HZ2 LYS 8 HZ2 LYS 8 -8.678 8.602 23.981
73 HZ3 LYS 8 HZ3 LYS 8 -9.373 9.698 25.068
74 H GLN 9 H GLN 9 -5.245 14.531 17.977
75 HA GLN 9 HA GLN 9 -3.351 15.651 17.401
76 HB2 GLN 9 HB2 GLN 9 -2.492 15.407 20.281
77 HB3 GLN 9 HB3 GLN 9 -2.025 16.639 19.116
78 HG2 GLN 9 HG2 GLN 9 -4.607 17.122 19.086
79 HG3 GLN 9 HG3 GLN 9 -4.542 16.349 20.668
80 HE21 GLN 9 HE21 GLN 9 -4.202 19.213 18.995
81 HE22 GLN 9 HE22 GLN 9 -3.423 20.147 20.222
82 H ARG 10 H ARG 10 -3.422 12.795 17.201
83 HA ARG 10 HA ARG 10 -0.539 12.239 17.372
84 HB2 ARG 10 HB2 ARG 10 -2.111 11.021 19.067
85 HB3 ARG 10 HB3 ARG 10 -2.552 10.040 17.674
86 HG2 ARG 10 HG2 ARG 10 -0.163 9.477 17.367
87 HG3 ARG 10 HG3 ARG 10 0.201 10.372 18.844
88 HD2 ARG 10 HD2 ARG 10 -0.006 7.917 19.180
89 HD3 ARG 10 HD3 ARG 10 -1.126 8.867 20.156
90 HE ARG 10 HE ARG 10 -2.250 7.992 17.667
91 HH11 ARG 10 HH11 ARG 10 -1.609 7.110 20.973
92 HH12 ARG 10 HH12 ARG 10 -2.889 5.944 21.047
93 HH21 ARG 10 HH21 ARG 10 -3.938 6.458 17.752
94 HH22 ARG 10 HH22 ARG 10 -4.212 5.573 19.214
95 H CYS 11 H CYS 11 0.047 12.431 15.287
96 HA CYS 11 HA CYS 11 -1.535 10.976 13.273
97 HB2 CYS 11 HB2 CYS 11 0.263 13.387 12.993
98 HB3 CYS 11 HB3 CYS 11 -0.384 12.495 11.620
99 H VAL 12 H VAL 12 -0.630 9.305 12.253
100 HA VAL 12 HA VAL 12 2.277 9.087 12.096
101 HB VAL 12 HB VAL 12 2.128 6.666 12.812
102 HG11 VAL 12 HG11 VAL 12 1.566 8.822 14.841
103 HG12 VAL 12 HG12 VAL 12 2.179 7.214 15.225
104 HG13 VAL 12 HG13 VAL 12 3.145 8.316 14.244
105 HG21 VAL 12 HG21 VAL 12 -0.253 6.337 12.646
106 HG22 VAL 12 HG22 VAL 12 0.247 6.093 14.320
107 HG23 VAL 12 HG23 VAL 12 -0.547 7.595 13.847
108 H THR 13 H THR 13 3.017 7.677 10.465
109 HA THR 13 HA THR 13 0.949 6.952 8.496
110 HB THR 13 HB THR 13 3.667 7.029 7.454
111 HG1 THR 13 HG1 THR 13 3.942 9.265 7.648
112 HG21 THR 13 HG21 THR 13 1.649 6.963 6.066
113 HG22 THR 13 HG22 THR 13 2.600 8.412 5.735
114 HG23 THR 13 HG23 THR 13 1.143 8.520 6.722
115 H TYR 14 H TYR 14 0.521 4.842 8.718
116 HA TYR 14 HA TYR 14 2.727 2.978 9.209
117 HB2 TYR 14 HB2 TYR 14 -0.210 2.917 9.690
118 HB3 TYR 14 HB3 TYR 14 0.589 1.384 9.358
119 HD1 TYR 14 HD1 TYR 14 1.392 0.189 11.159
120 HD2 TYR 14 HD2 TYR 14 1.060 4.417 11.495
121 HE1 TYR 14 HE1 TYR 14 2.114 0.052 13.506
122 HE2 TYR 14 HE2 TYR 14 1.782 4.293 13.844
123 HH TYR 14 HH TYR 14 2.432 2.976 15.503
124 H CYS 15 H CYS 15 3.529 1.777 7.623
125 HA CYS 15 HA CYS 15 1.951 1.487 5.152
126 HB2 CYS 15 HB2 CYS 15 4.962 1.432 5.433
127 HB3 CYS 15 HB3 CYS 15 4.047 1.365 3.930
128 H ARG 16 H ARG 16 2.697 -0.485 3.838
129 HA ARG 16 HA ARG 16 2.022 -2.806 5.181
130 HB2 ARG 16 HB2 ARG 16 2.817 -4.017 3.224
131 HB3 ARG 16 HB3 ARG 16 1.961 -2.562 2.732
132 HG2 ARG 16 HG2 ARG 16 4.340 -1.510 2.677
133 HG3 ARG 16 HG3 ARG 16 4.870 -3.190 2.577
134 HD2 ARG 16 HD2 ARG 16 3.136 -3.384 0.676
135 HD3 ARG 16 HD3 ARG 16 3.187 -1.622 0.657
136 HE ARG 16 HE ARG 16 5.166 -3.406 -0.363
137 HH11 ARG 16 HH11 ARG 16 4.684 -0.278 1.087
138 HH12 ARG 16 HH12 ARG 16 6.116 0.409 0.392
139 HH21 ARG 16 HH21 ARG 16 7.051 -2.513 -1.285
140 HH22 ARG 16 HH22 ARG 16 7.461 -0.863 -0.958
141 H GLY 17 H GLY 17 3.109 -4.388 6.250
142 HA2 GLY 17 HA2 GLY 17 5.927 -3.816 6.875
143 HA3 GLY 17 HA3 GLY 17 4.832 -4.757 7.876
144 H ARG 18 H ARG 18 3.894 -6.731 6.553
145 HA ARG 18 HA ARG 18 6.213 -8.072 5.327
146 HB2 ARG 18 HB2 ARG 18 5.197 -10.193 6.141
147 HB3 ARG 18 HB3 ARG 18 5.662 -9.099 7.435
148 HG2 ARG 18 HG2 ARG 18 3.469 -8.588 7.972
149 HG3 ARG 18 HG3 ARG 18 2.862 -9.103 6.396
150 HD2 ARG 18 HD2 ARG 18 3.577 -11.444 7.038
151 HD3 ARG 18 HD3 ARG 18 3.822 -10.823 8.670
152 HE ARG 18 HE ARG 18 1.281 -10.073 8.051
153 HH11 ARG 18 HH11 ARG 18 2.996 -13.103 8.053
154 HH12 ARG 18 HH12 ARG 18 1.589 -14.048 8.410
155 HH21 ARG 18 HH21 ARG 18 -0.579 -11.307 8.521
156 HH22 ARG 18 HH22 ARG 18 -0.444 -13.027 8.674
157 HN1 NH2 19 H1 NH2 19 4.959 -6.698 3.514
158 HN2 NH2 19 H2 NH2 19 3.903 -7.604 2.526
Start of MODEL 11
1 H PCA 1 H PCA 1 1.339 -0.072 -0.520
2 HA PCA 1 HA PCA 1 0.903 2.131 -0.430
3 HB2 PCA 1 HB2 PCA 1 -1.796 2.427 0.193
4 HB3 PCA 1 HB3 PCA 1 -1.286 1.967 -1.440
5 HG2 PCA 1 HG2 PCA 1 -2.117 0.118 0.863
6 HG3 PCA 1 HG3 PCA 1 -2.618 0.041 -0.843
7 H CYS 2 H CYS 2 0.073 3.670 1.208
8 HA CYS 2 HA CYS 2 0.534 2.585 3.910
9 HB2 CYS 2 HB2 CYS 2 1.213 5.340 2.861
10 HB3 CYS 2 HB3 CYS 2 1.532 4.748 4.487
11 H ARG 3 H ARG 3 -0.408 3.942 5.677
12 HA ARG 3 HA ARG 3 -2.863 5.333 4.887
13 HB2 ARG 3 HB2 ARG 3 -4.079 4.137 6.731
14 HB3 ARG 3 HB3 ARG 3 -3.649 3.127 5.357
15 HG2 ARG 3 HG2 ARG 3 -1.928 2.058 6.547
16 HG3 ARG 3 HG3 ARG 3 -1.950 3.274 7.825
17 HD2 ARG 3 HD2 ARG 3 -3.984 2.479 8.691
18 HD3 ARG 3 HD3 ARG 3 -4.336 1.550 7.235
19 HE ARG 3 HE ARG 3 -1.998 0.510 8.274
20 HH11 ARG 3 HH11 ARG 3 -5.302 0.893 9.300
21 HH12 ARG 3 HH12 ARG 3 -5.290 -0.516 10.308
22 HH21 ARG 3 HH21 ARG 3 -1.969 -1.347 9.598
23 HH22 ARG 3 HH22 ARG 3 -3.392 -1.788 10.477
24 H ARG 4 H ARG 4 -3.284 7.112 6.063
25 HA ARG 4 HA ARG 4 -1.574 7.610 8.408
26 HB2 ARG 4 HB2 ARG 4 -1.095 9.143 6.592
27 HB3 ARG 4 HB3 ARG 4 -2.798 9.558 6.448
28 HG2 ARG 4 HG2 ARG 4 -2.785 10.847 8.356
29 HG3 ARG 4 HG3 ARG 4 -1.385 10.015 9.034
30 HD2 ARG 4 HD2 ARG 4 -0.076 11.620 8.240
31 HD3 ARG 4 HD3 ARG 4 -0.552 11.173 6.603
32 HE ARG 4 HE ARG 4 -1.462 13.444 8.118
33 HH11 ARG 4 HH11 ARG 4 -2.172 11.269 5.495
34 HH12 ARG 4 HH12 ARG 4 -3.224 12.381 4.685
35 HH21 ARG 4 HH21 ARG 4 -2.845 14.918 7.059
36 HH22 ARG 4 HH22 ARG 4 -3.605 14.457 5.575
37 H LEU 5 H LEU 5 -2.505 7.984 10.324
38 HA LEU 5 HA LEU 5 -5.387 8.580 10.388
39 HB2 LEU 5 HB2 LEU 5 -4.043 6.833 12.423
40 HB3 LEU 5 HB3 LEU 5 -5.767 7.042 12.120
41 HG LEU 5 HG LEU 5 -5.112 5.971 9.785
42 HD11 LEU 5 HD11 LEU 5 -3.435 4.053 10.735
43 HD12 LEU 5 HD12 LEU 5 -2.784 5.503 11.498
44 HD13 LEU 5 HD13 LEU 5 -2.940 5.426 9.744
45 HD21 LEU 5 HD21 LEU 5 -6.437 4.364 10.553
46 HD22 LEU 5 HD22 LEU 5 -6.317 5.100 12.151
47 HD23 LEU 5 HD23 LEU 5 -5.203 3.814 11.686
48 H CYS 6 H CYS 6 -5.926 10.275 11.601
49 HA CYS 6 HA CYS 6 -3.959 11.258 13.566
50 HB2 CYS 6 HB2 CYS 6 -5.693 12.776 11.625
51 HB3 CYS 6 HB3 CYS 6 -5.004 13.546 13.051
52 H TYR 7 H TYR 7 -4.657 11.458 15.591
53 HA TYR 7 HA TYR 7 -7.336 12.182 16.261
54 HB2 TYR 7 HB2 TYR 7 -7.344 9.637 15.662
55 HB3 TYR 7 HB3 TYR 7 -6.587 9.446 17.238
56 HD1 TYR 7 HD1 TYR 7 -8.127 8.621 18.744
57 HD2 TYR 7 HD2 TYR 7 -9.358 11.630 16.001
58 HE1 TYR 7 HE1 TYR 7 -10.339 8.687 19.818
59 HE2 TYR 7 HE2 TYR 7 -11.573 11.705 17.067
60 HH TYR 7 HH TYR 7 -12.236 10.536 20.014
61 H LYS 8 H LYS 8 -7.466 12.977 18.305
62 HA LYS 8 HA LYS 8 -6.704 13.893 20.246
63 HB2 LYS 8 HB2 LYS 8 -5.401 11.171 20.454
64 HB3 LYS 8 HB3 LYS 8 -5.551 12.313 21.784
65 HG2 LYS 8 HG2 LYS 8 -8.095 12.205 21.209
66 HG3 LYS 8 HG3 LYS 8 -7.651 10.680 20.442
67 HD2 LYS 8 HD2 LYS 8 -6.662 11.202 23.197
68 HD3 LYS 8 HD3 LYS 8 -8.370 10.809 22.990
69 HE2 LYS 8 HE2 LYS 8 -7.728 8.769 21.771
70 HE3 LYS 8 HE3 LYS 8 -6.030 9.158 22.039
71 HZ1 LYS 8 HZ1 LYS 8 -7.206 9.254 24.524
72 HZ2 LYS 8 HZ2 LYS 8 -6.196 8.035 23.929
73 HZ3 LYS 8 HZ3 LYS 8 -7.875 7.886 23.786
74 H GLN 9 H GLN 9 -5.195 14.600 17.992
75 HA GLN 9 HA GLN 9 -3.265 15.665 17.439
76 HB2 GLN 9 HB2 GLN 9 -2.436 15.400 20.326
77 HB3 GLN 9 HB3 GLN 9 -1.938 16.624 19.166
78 HG2 GLN 9 HG2 GLN 9 -4.387 17.320 19.103
79 HG3 GLN 9 HG3 GLN 9 -4.581 16.324 20.545
80 HE21 GLN 9 HE21 GLN 9 -4.916 17.826 22.068
81 HE22 GLN 9 HE22 GLN 9 -3.810 19.094 22.464
82 H ARG 10 H ARG 10 -3.414 12.813 17.237
83 HA ARG 10 HA ARG 10 -0.549 12.176 17.443
84 HB2 ARG 10 HB2 ARG 10 -1.922 10.986 19.179
85 HB3 ARG 10 HB3 ARG 10 -2.780 10.187 17.870
86 HG2 ARG 10 HG2 ARG 10 -0.594 9.270 17.094
87 HG3 ARG 10 HG3 ARG 10 0.137 9.940 18.554
88 HD2 ARG 10 HD2 ARG 10 -1.039 8.494 19.952
89 HD3 ARG 10 HD3 ARG 10 -2.249 8.137 18.720
90 HE ARG 10 HE ARG 10 0.052 7.168 17.657
91 HH11 ARG 10 HH11 ARG 10 -1.588 6.709 20.694
92 HH12 ARG 10 HH12 ARG 10 -1.014 5.089 20.909
93 HH21 ARG 10 HH21 ARG 10 0.815 5.035 17.929
94 HH22 ARG 10 HH22 ARG 10 0.353 4.139 19.335
95 H CYS 11 H CYS 11 0.045 12.382 15.357
96 HA CYS 11 HA CYS 11 -1.538 10.941 13.332
97 HB2 CYS 11 HB2 CYS 11 0.314 13.311 13.029
98 HB3 CYS 11 HB3 CYS 11 -0.421 12.451 11.680
99 H VAL 12 H VAL 12 -0.635 9.279 12.290
100 HA VAL 12 HA VAL 12 2.271 9.029 12.176
101 HB VAL 12 HB VAL 12 2.083 6.600 12.854
102 HG11 VAL 12 HG11 VAL 12 2.733 8.728 14.299
103 HG12 VAL 12 HG12 VAL 12 1.310 8.226 15.215
104 HG13 VAL 12 HG13 VAL 12 2.660 7.111 14.998
105 HG21 VAL 12 HG21 VAL 12 -0.514 7.472 14.105
106 HG22 VAL 12 HG22 VAL 12 -0.416 6.544 12.607
107 HG23 VAL 12 HG23 VAL 12 0.201 5.860 14.111
108 H THR 13 H THR 13 3.022 7.621 10.544
109 HA THR 13 HA THR 13 0.969 6.911 8.549
110 HB THR 13 HB THR 13 3.684 7.090 7.505
111 HG1 THR 13 HG1 THR 13 4.031 9.227 7.856
112 HG21 THR 13 HG21 THR 13 1.108 8.503 6.796
113 HG22 THR 13 HG22 THR 13 1.672 6.975 6.115
114 HG23 THR 13 HG23 THR 13 2.569 8.462 5.808
115 H TYR 14 H TYR 14 0.609 4.786 8.680
116 HA TYR 14 HA TYR 14 2.888 2.983 9.108
117 HB2 TYR 14 HB2 TYR 14 -0.028 2.817 9.705
118 HB3 TYR 14 HB3 TYR 14 0.822 1.318 9.346
119 HD1 TYR 14 HD1 TYR 14 2.896 0.769 10.740
120 HD2 TYR 14 HD2 TYR 14 0.083 3.765 11.842
121 HE1 TYR 14 HE1 TYR 14 3.708 0.670 13.059
122 HE2 TYR 14 HE2 TYR 14 0.887 3.675 14.164
123 HH TYR 14 HH TYR 14 2.696 1.220 15.388
124 H CYS 15 H CYS 15 3.610 1.729 7.517
125 HA CYS 15 HA CYS 15 1.960 1.477 5.089
126 HB2 CYS 15 HB2 CYS 15 4.978 1.452 5.295
127 HB3 CYS 15 HB3 CYS 15 4.039 1.328 3.810
128 H ARG 16 H ARG 16 1.669 -0.511 4.190
129 HA ARG 16 HA ARG 16 1.984 -2.788 5.834
130 HB2 ARG 16 HB2 ARG 16 1.449 -2.779 2.863
131 HB3 ARG 16 HB3 ARG 16 1.037 -4.039 4.017
132 HG2 ARG 16 HG2 ARG 16 -0.355 -2.122 5.140
133 HG3 ARG 16 HG3 ARG 16 -0.273 -1.415 3.525
134 HD2 ARG 16 HD2 ARG 16 -1.229 -3.448 2.576
135 HD3 ARG 16 HD3 ARG 16 -1.280 -4.182 4.177
136 HE ARG 16 HE ARG 16 -2.699 -1.769 4.256
137 HH11 ARG 16 HH11 ARG 16 -2.920 -4.945 2.844
138 HH12 ARG 16 HH12 ARG 16 -4.651 -4.946 2.800
139 HH21 ARG 16 HH21 ARG 16 -4.979 -1.760 4.202
140 HH22 ARG 16 HH22 ARG 16 -5.823 -3.135 3.572
141 H GLY 17 H GLY 17 3.304 -4.618 5.580
142 HA2 GLY 17 HA2 GLY 17 5.973 -4.034 4.721
143 HA3 GLY 17 HA3 GLY 17 5.398 -5.563 5.369
144 H ARG 18 H ARG 18 7.170 -4.962 3.072
145 HA ARG 18 HA ARG 18 5.584 -5.857 0.793
146 HB2 ARG 18 HB2 ARG 18 8.483 -5.034 1.022
147 HB3 ARG 18 HB3 ARG 18 7.712 -5.542 -0.474
148 HG2 ARG 18 HG2 ARG 18 6.013 -3.618 0.193
149 HG3 ARG 18 HG3 ARG 18 7.437 -3.015 1.043
150 HD2 ARG 18 HD2 ARG 18 8.395 -3.780 -1.445
151 HD3 ARG 18 HD3 ARG 18 6.837 -3.035 -1.792
152 HE ARG 18 HE ARG 18 7.773 -1.015 -1.318
153 HH11 ARG 18 HH11 ARG 18 9.669 -3.498 0.217
154 HH12 ARG 18 HH12 ARG 18 10.883 -2.401 0.788
155 HH21 ARG 18 HH21 ARG 18 9.364 0.440 -0.572
156 HH22 ARG 18 HH22 ARG 18 10.708 -0.161 0.340
157 HN1 NH2 19 H1 NH2 19 5.111 -7.988 1.204
158 HN2 NH2 19 H2 NH2 19 6.255 -9.253 1.301
Start of MODEL 12
1 H PCA 1 H PCA 1 1.847 0.311 -0.433
2 HA PCA 1 HA PCA 1 1.104 2.431 -0.399
3 HB2 PCA 1 HB2 PCA 1 -1.509 2.389 0.564
4 HB3 PCA 1 HB3 PCA 1 -1.146 1.889 -1.096
5 HG2 PCA 1 HG2 PCA 1 -1.398 0.110 1.388
6 HG3 PCA 1 HG3 PCA 1 -2.091 -0.156 -0.229
7 H CYS 2 H CYS 2 -0.179 3.779 1.376
8 HA CYS 2 HA CYS 2 0.752 2.977 4.041
9 HB2 CYS 2 HB2 CYS 2 1.320 5.622 2.689
10 HB3 CYS 2 HB3 CYS 2 1.578 5.314 4.404
11 H ARG 3 H ARG 3 -0.445 3.774 5.758
12 HA ARG 3 HA ARG 3 -2.913 5.205 5.021
13 HB2 ARG 3 HB2 ARG 3 -2.442 2.841 6.765
14 HB3 ARG 3 HB3 ARG 3 -3.677 3.986 7.268
15 HG2 ARG 3 HG2 ARG 3 -3.720 3.021 4.459
16 HG3 ARG 3 HG3 ARG 3 -4.245 1.922 5.738
17 HD2 ARG 3 HD2 ARG 3 -6.181 3.054 4.964
18 HD3 ARG 3 HD3 ARG 3 -5.777 3.745 6.533
19 HE ARG 3 HE ARG 3 -5.377 5.755 5.508
20 HH11 ARG 3 HH11 ARG 3 -5.507 3.242 3.102
21 HH12 ARG 3 HH12 ARG 3 -5.473 4.343 1.763
22 HH21 ARG 3 HH21 ARG 3 -5.331 7.213 3.754
23 HH22 ARG 3 HH22 ARG 3 -5.372 6.601 2.136
24 H ARG 4 H ARG 4 -3.385 7.027 6.096
25 HA ARG 4 HA ARG 4 -1.616 7.778 8.326
26 HB2 ARG 4 HB2 ARG 4 -1.434 9.236 6.367
27 HB3 ARG 4 HB3 ARG 4 -3.166 9.535 6.416
28 HG2 ARG 4 HG2 ARG 4 -2.837 10.525 8.695
29 HG3 ARG 4 HG3 ARG 4 -1.097 10.404 8.416
30 HD2 ARG 4 HD2 ARG 4 -1.527 11.718 6.271
31 HD3 ARG 4 HD3 ARG 4 -3.120 12.065 6.942
32 HE ARG 4 HE ARG 4 -2.143 13.597 8.319
33 HH11 ARG 4 HH11 ARG 4 0.303 11.386 7.200
34 HH12 ARG 4 HH12 ARG 4 1.610 12.259 7.929
35 HH21 ARG 4 HH21 ARG 4 -0.430 14.754 9.283
36 HH22 ARG 4 HH22 ARG 4 1.192 14.173 9.114
37 H LEU 5 H LEU 5 -2.482 7.888 10.284
38 HA LEU 5 HA LEU 5 -5.382 8.348 10.518
39 HB2 LEU 5 HB2 LEU 5 -3.722 6.666 12.381
40 HB3 LEU 5 HB3 LEU 5 -5.473 6.854 12.385
41 HG LEU 5 HG LEU 5 -4.193 5.706 9.958
42 HD11 LEU 5 HD11 LEU 5 -3.780 4.621 12.560
43 HD12 LEU 5 HD12 LEU 5 -3.283 3.975 10.996
44 HD13 LEU 5 HD13 LEU 5 -4.864 3.559 11.660
45 HD21 LEU 5 HD21 LEU 5 -6.618 6.177 10.102
46 HD22 LEU 5 HD22 LEU 5 -6.730 5.039 11.444
47 HD23 LEU 5 HD23 LEU 5 -6.257 4.471 9.842
48 H CYS 6 H CYS 6 -5.861 10.160 11.552
49 HA CYS 6 HA CYS 6 -3.926 11.218 13.506
50 HB2 CYS 6 HB2 CYS 6 -5.722 12.638 11.546
51 HB3 CYS 6 HB3 CYS 6 -5.030 13.464 12.939
52 H TYR 7 H TYR 7 -4.607 11.400 15.536
53 HA TYR 7 HA TYR 7 -7.298 12.095 16.216
54 HB2 TYR 7 HB2 TYR 7 -7.146 9.495 15.692
55 HB3 TYR 7 HB3 TYR 7 -6.529 9.442 17.338
56 HD1 TYR 7 HD1 TYR 7 -8.058 9.120 19.035
57 HD2 TYR 7 HD2 TYR 7 -9.362 10.966 15.429
58 HE1 TYR 7 HE1 TYR 7 -10.358 9.172 19.902
59 HE2 TYR 7 HE2 TYR 7 -11.666 11.024 16.288
60 HH TYR 7 HH TYR 7 -12.627 9.314 19.093
61 H LYS 8 H LYS 8 -7.416 12.952 18.230
62 HA LYS 8 HA LYS 8 -6.652 13.936 20.140
63 HB2 LYS 8 HB2 LYS 8 -5.407 11.195 20.377
64 HB3 LYS 8 HB3 LYS 8 -5.374 12.384 21.673
65 HG2 LYS 8 HG2 LYS 8 -7.899 12.425 21.519
66 HG3 LYS 8 HG3 LYS 8 -7.761 11.003 20.483
67 HD2 LYS 8 HD2 LYS 8 -8.022 9.997 22.525
68 HD3 LYS 8 HD3 LYS 8 -6.262 10.121 22.461
69 HE2 LYS 8 HE2 LYS 8 -6.848 10.885 24.602
70 HE3 LYS 8 HE3 LYS 8 -6.537 12.347 23.666
71 HZ1 LYS 8 HZ1 LYS 8 -8.988 11.419 24.865
72 HZ2 LYS 8 HZ2 LYS 8 -9.172 11.953 23.271
73 HZ3 LYS 8 HZ3 LYS 8 -8.518 12.987 24.438
74 H GLN 9 H GLN 9 -5.178 14.621 17.870
75 HA GLN 9 HA GLN 9 -3.266 15.701 17.277
76 HB2 GLN 9 HB2 GLN 9 -2.422 15.485 20.165
77 HB3 GLN 9 HB3 GLN 9 -1.911 16.681 18.981
78 HG2 GLN 9 HG2 GLN 9 -4.501 17.202 18.928
79 HG3 GLN 9 HG3 GLN 9 -4.423 16.507 20.546
80 HE21 GLN 9 HE21 GLN 9 -4.252 19.305 18.845
81 HE22 GLN 9 HE22 GLN 9 -3.367 20.276 19.967
82 H ARG 10 H ARG 10 -3.386 12.844 17.119
83 HA ARG 10 HA ARG 10 -0.512 12.240 17.297
84 HB2 ARG 10 HB2 ARG 10 -2.026 11.075 19.033
85 HB3 ARG 10 HB3 ARG 10 -2.616 10.126 17.676
86 HG2 ARG 10 HG2 ARG 10 -0.425 9.246 17.262
87 HG3 ARG 10 HG3 ARG 10 0.280 10.320 18.471
88 HD2 ARG 10 HD2 ARG 10 0.030 8.079 19.369
89 HD3 ARG 10 HD3 ARG 10 -1.035 9.202 20.213
90 HE ARG 10 HE ARG 10 -2.438 7.997 18.093
91 HH11 ARG 10 HH11 ARG 10 -1.092 7.238 21.213
92 HH12 ARG 10 HH12 ARG 10 -2.234 5.978 21.544
93 HH21 ARG 10 HH21 ARG 10 -3.947 6.340 18.518
94 HH22 ARG 10 HH22 ARG 10 -3.856 5.467 20.011
95 H CYS 11 H CYS 11 0.059 12.414 15.202
96 HA CYS 11 HA CYS 11 -1.538 10.936 13.218
97 HB2 CYS 11 HB2 CYS 11 0.274 13.332 12.887
98 HB3 CYS 11 HB3 CYS 11 -0.400 12.426 11.536
99 H VAL 12 H VAL 12 -0.644 9.249 12.218
100 HA VAL 12 HA VAL 12 2.262 9.017 12.049
101 HB VAL 12 HB VAL 12 2.097 6.600 12.794
102 HG11 VAL 12 HG11 VAL 12 1.462 8.584 14.965
103 HG12 VAL 12 HG12 VAL 12 2.460 7.132 15.075
104 HG13 VAL 12 HG13 VAL 12 3.020 8.522 14.142
105 HG21 VAL 12 HG21 VAL 12 -0.509 7.559 13.971
106 HG22 VAL 12 HG22 VAL 12 -0.348 6.411 12.642
107 HG23 VAL 12 HG23 VAL 12 0.246 5.989 14.247
108 H THR 13 H THR 13 2.989 7.580 10.437
109 HA THR 13 HA THR 13 0.909 6.834 8.488
110 HB THR 13 HB THR 13 3.618 6.890 7.426
111 HG1 THR 13 HG1 THR 13 2.528 9.368 8.314
112 HG21 THR 13 HG21 THR 13 1.089 8.374 6.700
113 HG22 THR 13 HG22 THR 13 1.602 6.818 6.046
114 HG23 THR 13 HG23 THR 13 2.541 8.270 5.707
115 H TYR 14 H TYR 14 0.477 4.728 8.752
116 HA TYR 14 HA TYR 14 2.688 2.867 9.244
117 HB2 TYR 14 HB2 TYR 14 -0.238 2.830 9.779
118 HB3 TYR 14 HB3 TYR 14 0.537 1.285 9.439
119 HD1 TYR 14 HD1 TYR 14 2.531 0.610 10.873
120 HD2 TYR 14 HD2 TYR 14 -0.082 3.806 11.905
121 HE1 TYR 14 HE1 TYR 14 3.304 0.481 13.205
122 HE2 TYR 14 HE2 TYR 14 0.684 3.686 14.239
123 HH TYR 14 HH TYR 14 3.347 2.389 15.238
124 H CYS 15 H CYS 15 3.576 1.981 7.510
125 HA CYS 15 HA CYS 15 1.897 1.488 5.145
126 HB2 CYS 15 HB2 CYS 15 4.916 1.563 5.254
127 HB3 CYS 15 HB3 CYS 15 3.898 1.569 3.818
128 H ARG 16 H ARG 16 1.675 -0.525 4.320
129 HA ARG 16 HA ARG 16 2.198 -2.756 5.967
130 HB2 ARG 16 HB2 ARG 16 1.526 -2.743 3.020
131 HB3 ARG 16 HB3 ARG 16 1.340 -4.097 4.126
132 HG2 ARG 16 HG2 ARG 16 -0.101 -1.491 4.515
133 HG3 ARG 16 HG3 ARG 16 -0.754 -2.808 3.537
134 HD2 ARG 16 HD2 ARG 16 -1.710 -3.291 5.558
135 HD3 ARG 16 HD3 ARG 16 -0.219 -4.226 5.686
136 HE ARG 16 HE ARG 16 0.424 -1.807 6.752
137 HH11 ARG 16 HH11 ARG 16 -2.079 -4.149 7.359
138 HH12 ARG 16 HH12 ARG 16 -2.215 -3.761 9.042
139 HH21 ARG 16 HH21 ARG 16 0.254 -1.285 8.966
140 HH22 ARG 16 HH22 ARG 16 -0.889 -2.131 9.955
141 H GLY 17 H GLY 17 3.446 -4.688 5.329
142 HA2 GLY 17 HA2 GLY 17 5.876 -3.983 3.807
143 HA3 GLY 17 HA3 GLY 17 5.977 -4.794 5.362
144 H ARG 18 H ARG 18 5.135 -6.959 5.538
145 HA ARG 18 HA ARG 18 5.458 -8.424 3.027
146 HB2 ARG 18 HB2 ARG 18 5.864 -10.371 4.372
147 HB3 ARG 18 HB3 ARG 18 6.816 -9.045 5.029
148 HG2 ARG 18 HG2 ARG 18 5.010 -8.700 6.723
149 HG3 ARG 18 HG3 ARG 18 4.259 -10.183 6.129
150 HD2 ARG 18 HD2 ARG 18 5.505 -11.023 7.856
151 HD3 ARG 18 HD3 ARG 18 6.664 -11.168 6.536
152 HE ARG 18 HE ARG 18 6.910 -8.664 7.858
153 HH11 ARG 18 HH11 ARG 18 7.684 -12.047 8.149
154 HH12 ARG 18 HH12 ARG 18 9.068 -11.778 9.155
155 HH21 ARG 18 HH21 ARG 18 8.731 -8.297 9.182
156 HH22 ARG 18 HH22 ARG 18 9.662 -9.644 9.742
157 HN1 NH2 19 H1 NH2 19 4.102 -10.596 3.092
158 HN2 NH2 19 H2 NH2 19 2.417 -10.416 3.297
Start of MODEL 13
1 H PCA 1 H PCA 1 0.982 -0.849 -0.055
2 HA PCA 1 HA PCA 1 0.862 1.377 -0.327
3 HB2 PCA 1 HB2 PCA 1 -1.735 2.162 0.308
4 HB3 PCA 1 HB3 PCA 1 -1.378 1.371 -1.237
5 HG2 PCA 1 HG2 PCA 1 -2.341 0.064 1.364
6 HG3 PCA 1 HG3 PCA 1 -2.932 -0.217 -0.291
7 H CYS 2 H CYS 2 -0.152 3.239 1.134
8 HA CYS 2 HA CYS 2 0.416 2.568 3.944
9 HB2 CYS 2 HB2 CYS 2 1.358 5.054 2.499
10 HB3 CYS 2 HB3 CYS 2 1.673 4.644 4.181
11 H ARG 3 H ARG 3 -0.529 3.988 5.514
12 HA ARG 3 HA ARG 3 -2.616 5.792 4.551
13 HB2 ARG 3 HB2 ARG 3 -4.317 4.787 5.978
14 HB3 ARG 3 HB3 ARG 3 -3.713 3.609 4.821
15 HG2 ARG 3 HG2 ARG 3 -2.519 3.741 7.552
16 HG3 ARG 3 HG3 ARG 3 -4.073 2.939 7.305
17 HD2 ARG 3 HD2 ARG 3 -2.921 1.639 5.444
18 HD3 ARG 3 HD3 ARG 3 -1.405 2.259 6.098
19 HE ARG 3 HE ARG 3 -1.591 0.778 7.832
20 HH11 ARG 3 HH11 ARG 3 -4.672 1.051 6.233
21 HH12 ARG 3 HH12 ARG 3 -5.397 -0.244 7.125
22 HH21 ARG 3 HH21 ARG 3 -2.535 -0.931 9.012
23 HH22 ARG 3 HH22 ARG 3 -4.182 -1.371 8.707
24 H ARG 4 H ARG 4 -3.302 7.335 6.090
25 HA ARG 4 HA ARG 4 -1.530 7.557 8.435
26 HB2 ARG 4 HB2 ARG 4 -1.096 9.249 6.667
27 HB3 ARG 4 HB3 ARG 4 -2.752 9.815 6.838
28 HG2 ARG 4 HG2 ARG 4 -2.179 10.236 9.284
29 HG3 ARG 4 HG3 ARG 4 -0.496 10.021 8.802
30 HD2 ARG 4 HD2 ARG 4 -1.044 11.769 6.977
31 HD3 ARG 4 HD3 ARG 4 -2.441 12.146 7.984
32 HE ARG 4 HE ARG 4 -1.042 13.166 9.485
33 HH11 ARG 4 HH11 ARG 4 0.842 11.232 7.289
34 HH12 ARG 4 HH12 ARG 4 2.364 11.838 7.853
35 HH21 ARG 4 HH21 ARG 4 0.955 13.974 10.237
36 HH22 ARG 4 HH22 ARG 4 2.426 13.397 9.531
37 H LEU 5 H LEU 5 -2.437 7.877 10.389
38 HA LEU 5 HA LEU 5 -5.341 8.366 10.485
39 HB2 LEU 5 HB2 LEU 5 -3.915 6.726 12.544
40 HB3 LEU 5 HB3 LEU 5 -5.636 6.781 12.167
41 HG LEU 5 HG LEU 5 -4.775 5.764 9.867
42 HD11 LEU 5 HD11 LEU 5 -2.460 5.715 10.240
43 HD12 LEU 5 HD12 LEU 5 -2.996 4.053 10.486
44 HD13 LEU 5 HD13 LEU 5 -2.649 5.082 11.876
45 HD21 LEU 5 HD21 LEU 5 -5.995 4.794 12.215
46 HD22 LEU 5 HD22 LEU 5 -4.811 3.584 11.718
47 HD23 LEU 5 HD23 LEU 5 -6.063 4.110 10.591
48 H CYS 6 H CYS 6 -5.890 10.123 11.584
49 HA CYS 6 HA CYS 6 -3.983 11.188 13.564
50 HB2 CYS 6 HB2 CYS 6 -5.849 12.593 11.659
51 HB3 CYS 6 HB3 CYS 6 -5.161 13.407 13.060
52 H TYR 7 H TYR 7 -4.652 11.347 15.602
53 HA TYR 7 HA TYR 7 -7.370 11.896 16.308
54 HB2 TYR 7 HB2 TYR 7 -7.095 9.312 15.770
55 HB3 TYR 7 HB3 TYR 7 -6.442 9.280 17.405
56 HD1 TYR 7 HD1 TYR 7 -7.924 8.815 19.105
57 HD2 TYR 7 HD2 TYR 7 -9.382 10.716 15.589
58 HE1 TYR 7 HE1 TYR 7 -10.207 8.738 20.018
59 HE2 TYR 7 HE2 TYR 7 -11.670 10.645 16.493
60 HH TYR 7 HH TYR 7 -12.404 10.195 19.604
61 H LYS 8 H LYS 8 -7.506 12.767 18.310
62 HA LYS 8 HA LYS 8 -6.774 13.789 20.212
63 HB2 LYS 8 HB2 LYS 8 -5.412 11.106 20.460
64 HB3 LYS 8 HB3 LYS 8 -5.441 12.298 21.752
65 HG2 LYS 8 HG2 LYS 8 -7.961 12.222 21.593
66 HG3 LYS 8 HG3 LYS 8 -7.758 10.810 20.554
67 HD2 LYS 8 HD2 LYS 8 -8.080 9.935 22.711
68 HD3 LYS 8 HD3 LYS 8 -6.340 9.836 22.437
69 HE2 LYS 8 HE2 LYS 8 -5.948 11.774 23.777
70 HE3 LYS 8 HE3 LYS 8 -7.675 12.117 23.882
71 HZ1 LYS 8 HZ1 LYS 8 -7.101 9.500 24.820
72 HZ2 LYS 8 HZ2 LYS 8 -7.856 10.782 25.626
73 HZ3 LYS 8 HZ3 LYS 8 -6.170 10.643 25.652
74 H GLN 9 H GLN 9 -5.334 14.519 17.934
75 HA GLN 9 HA GLN 9 -3.467 15.669 17.328
76 HB2 GLN 9 HB2 GLN 9 -2.575 15.504 20.202
77 HB3 GLN 9 HB3 GLN 9 -2.172 16.734 19.012
78 HG2 GLN 9 HG2 GLN 9 -4.472 17.523 19.024
79 HG3 GLN 9 HG3 GLN 9 -4.903 16.271 20.188
80 HE21 GLN 9 HE21 GLN 9 -4.922 16.862 22.229
81 HE22 GLN 9 HE22 GLN 9 -4.062 18.194 22.914
82 H ARG 10 H ARG 10 -3.477 12.809 17.186
83 HA ARG 10 HA ARG 10 -0.581 12.321 17.358
84 HB2 ARG 10 HB2 ARG 10 -2.017 11.106 19.111
85 HB3 ARG 10 HB3 ARG 10 -2.615 10.141 17.769
86 HG2 ARG 10 HG2 ARG 10 -0.612 9.075 17.459
87 HG3 ARG 10 HG3 ARG 10 0.324 10.401 18.155
88 HD2 ARG 10 HD2 ARG 10 -0.315 9.803 20.364
89 HD3 ARG 10 HD3 ARG 10 -1.533 8.673 19.773
90 HE ARG 10 HE ARG 10 0.958 7.858 18.804
91 HH11 ARG 10 HH11 ARG 10 -0.734 8.152 21.833
92 HH12 ARG 10 HH12 ARG 10 0.123 6.850 22.587
93 HH21 ARG 10 HH21 ARG 10 2.093 6.141 19.787
94 HH22 ARG 10 HH22 ARG 10 1.732 5.707 21.423
95 H CYS 11 H CYS 11 -0.036 12.520 15.256
96 HA CYS 11 HA CYS 11 -1.571 10.956 13.289
97 HB2 CYS 11 HB2 CYS 11 0.163 13.402 12.887
98 HB3 CYS 11 HB3 CYS 11 -0.592 12.487 11.584
99 H VAL 12 H VAL 12 -0.601 9.309 12.290
100 HA VAL 12 HA VAL 12 2.311 9.219 12.102
101 HB VAL 12 HB VAL 12 2.265 6.799 12.859
102 HG11 VAL 12 HG11 VAL 12 1.613 8.875 14.946
103 HG12 VAL 12 HG12 VAL 12 2.500 7.371 15.197
104 HG13 VAL 12 HG13 VAL 12 3.195 8.648 14.200
105 HG21 VAL 12 HG21 VAL 12 0.465 6.089 14.307
106 HG22 VAL 12 HG22 VAL 12 -0.355 7.637 14.097
107 HG23 VAL 12 HG23 VAL 12 -0.189 6.534 12.731
108 H THR 13 H THR 13 3.096 7.810 10.492
109 HA THR 13 HA THR 13 1.040 6.941 8.568
110 HB THR 13 HB THR 13 3.737 7.164 7.483
111 HG1 THR 13 HG1 THR 13 4.183 8.993 8.469
112 HG21 THR 13 HG21 THR 13 1.777 6.930 6.079
113 HG22 THR 13 HG22 THR 13 2.531 8.496 5.776
114 HG23 THR 13 HG23 THR 13 1.075 8.395 6.765
115 H TYR 14 H TYR 14 0.755 4.812 8.659
116 HA TYR 14 HA TYR 14 3.120 3.096 9.036
117 HB2 TYR 14 HB2 TYR 14 0.330 2.918 10.050
118 HB3 TYR 14 HB3 TYR 14 1.133 1.409 9.632
119 HD1 TYR 14 HD1 TYR 14 3.561 1.138 10.637
120 HD2 TYR 14 HD2 TYR 14 0.585 3.753 12.191
121 HE1 TYR 14 HE1 TYR 14 4.709 1.144 12.811
122 HE2 TYR 14 HE2 TYR 14 1.726 3.766 14.369
123 HH TYR 14 HH TYR 14 3.275 2.432 15.644
124 H CYS 15 H CYS 15 3.632 1.683 7.482
125 HA CYS 15 HA CYS 15 1.762 1.400 5.227
126 HB2 CYS 15 HB2 CYS 15 4.763 1.017 5.253
127 HB3 CYS 15 HB3 CYS 15 3.718 0.922 3.840
128 H ARG 16 H ARG 16 1.899 -0.695 4.049
129 HA ARG 16 HA ARG 16 1.242 -2.837 5.667
130 HB2 ARG 16 HB2 ARG 16 1.322 -4.205 3.706
131 HB3 ARG 16 HB3 ARG 16 0.756 -2.613 3.218
132 HG2 ARG 16 HG2 ARG 16 3.109 -2.096 2.520
133 HG3 ARG 16 HG3 ARG 16 3.490 -3.795 2.808
134 HD2 ARG 16 HD2 ARG 16 1.444 -2.720 0.870
135 HD3 ARG 16 HD3 ARG 16 3.011 -3.415 0.457
136 HE ARG 16 HE ARG 16 1.609 -5.312 1.937
137 HH11 ARG 16 HH11 ARG 16 1.369 -3.681 -1.130
138 HH12 ARG 16 HH12 ARG 16 0.545 -4.991 -1.909
139 HH21 ARG 16 HH21 ARG 16 0.524 -7.043 0.922
140 HH22 ARG 16 HH22 ARG 16 0.065 -6.902 -0.741
141 H GLY 17 H GLY 17 2.317 -4.604 6.482
142 HA2 GLY 17 HA2 GLY 17 4.099 -5.954 7.077
143 HA3 GLY 17 HA3 GLY 17 5.086 -5.105 5.897
144 H ARG 18 H ARG 18 6.672 -5.416 7.711
145 HA ARG 18 HA ARG 18 6.366 -3.375 9.802
146 HB2 ARG 18 HB2 ARG 18 8.060 -5.852 9.589
147 HB3 ARG 18 HB3 ARG 18 8.427 -4.593 10.761
148 HG2 ARG 18 HG2 ARG 18 5.927 -4.887 11.439
149 HG3 ARG 18 HG3 ARG 18 6.103 -6.452 10.643
150 HD2 ARG 18 HD2 ARG 18 7.983 -5.461 12.774
151 HD3 ARG 18 HD3 ARG 18 6.546 -6.421 13.127
152 HE ARG 18 HE ARG 18 7.904 -7.863 11.241
153 HH11 ARG 18 HH11 ARG 18 8.650 -6.572 14.387
154 HH12 ARG 18 HH12 ARG 18 9.782 -7.825 14.776
155 HH21 ARG 18 HH21 ARG 18 9.393 -9.518 11.741
156 HH22 ARG 18 HH22 ARG 18 10.204 -9.499 13.271
157 HN1 NH2 19 H1 NH2 19 6.812 -1.817 7.979
158 HN2 NH2 19 H2 NH2 19 8.430 -1.393 7.631
Start of MODEL 14
1 H PCA 1 H PCA 1 1.701 0.375 -0.549
2 HA PCA 1 HA PCA 1 1.181 2.554 -0.391
3 HB2 PCA 1 HB2 PCA 1 -1.481 2.727 0.414
4 HB3 PCA 1 HB3 PCA 1 -1.062 2.314 -1.257
5 HG2 PCA 1 HG2 PCA 1 -1.660 0.397 1.058
6 HG3 PCA 1 HG3 PCA 1 -2.269 0.324 -0.610
7 H CYS 2 H CYS 2 -0.087 3.893 1.412
8 HA CYS 2 HA CYS 2 0.679 2.821 4.042
9 HB2 CYS 2 HB2 CYS 2 1.274 5.605 3.016
10 HB3 CYS 2 HB3 CYS 2 1.589 5.032 4.649
11 H ARG 3 H ARG 3 -0.406 3.796 5.848
12 HA ARG 3 HA ARG 3 -2.924 5.140 5.115
13 HB2 ARG 3 HB2 ARG 3 -2.418 2.841 6.965
14 HB3 ARG 3 HB3 ARG 3 -3.756 3.934 7.289
15 HG2 ARG 3 HG2 ARG 3 -3.505 2.813 4.553
16 HG3 ARG 3 HG3 ARG 3 -4.056 1.748 5.847
17 HD2 ARG 3 HD2 ARG 3 -5.624 3.822 6.370
18 HD3 ARG 3 HD3 ARG 3 -5.363 4.133 4.655
19 HE ARG 3 HE ARG 3 -6.975 2.073 5.801
20 HH11 ARG 3 HH11 ARG 3 -5.002 2.907 3.057
21 HH12 ARG 3 HH12 ARG 3 -5.815 1.823 1.977
22 HH21 ARG 3 HH21 ARG 3 -8.053 0.641 4.391
23 HH22 ARG 3 HH22 ARG 3 -7.551 0.535 2.737
24 H ARG 4 H ARG 4 -3.309 7.011 6.113
25 HA ARG 4 HA ARG 4 -1.634 7.708 8.433
26 HB2 ARG 4 HB2 ARG 4 -1.376 9.048 6.290
27 HB3 ARG 4 HB3 ARG 4 -3.003 9.651 6.573
28 HG2 ARG 4 HG2 ARG 4 -1.817 11.324 7.542
29 HG3 ARG 4 HG3 ARG 4 -1.980 10.253 8.935
30 HD2 ARG 4 HD2 ARG 4 0.220 9.369 8.592
31 HD3 ARG 4 HD3 ARG 4 0.377 10.227 7.060
32 HE ARG 4 HE ARG 4 0.807 11.290 9.689
33 HH11 ARG 4 HH11 ARG 4 -0.070 12.070 6.411
34 HH12 ARG 4 HH12 ARG 4 0.446 13.720 6.528
35 HH21 ARG 4 HH21 ARG 4 1.490 13.459 9.854
36 HH22 ARG 4 HH22 ARG 4 1.334 14.509 8.486
37 H LEU 5 H LEU 5 -2.637 7.885 10.317
38 HA LEU 5 HA LEU 5 -5.487 8.620 10.340
39 HB2 LEU 5 HB2 LEU 5 -4.283 6.788 12.381
40 HB3 LEU 5 HB3 LEU 5 -5.982 7.034 11.979
41 HG LEU 5 HG LEU 5 -5.204 5.998 9.666
42 HD11 LEU 5 HD11 LEU 5 -3.500 4.292 11.360
43 HD12 LEU 5 HD12 LEU 5 -2.830 5.861 10.920
44 HD13 LEU 5 HD13 LEU 5 -3.337 4.735 9.661
45 HD21 LEU 5 HD21 LEU 5 -6.459 4.245 10.287
46 HD22 LEU 5 HD22 LEU 5 -6.703 5.163 11.772
47 HD23 LEU 5 HD23 LEU 5 -5.467 3.906 11.706
48 H CYS 6 H CYS 6 -5.902 10.389 11.479
49 HA CYS 6 HA CYS 6 -3.948 11.233 13.516
50 HB2 CYS 6 HB2 CYS 6 -5.696 12.828 11.649
51 HB3 CYS 6 HB3 CYS 6 -4.969 13.548 13.083
52 H TYR 7 H TYR 7 -4.613 11.373 15.557
53 HA TYR 7 HA TYR 7 -7.303 12.074 16.264
54 HB2 TYR 7 HB2 TYR 7 -7.166 9.493 15.685
55 HB3 TYR 7 HB3 TYR 7 -6.508 9.394 17.314
56 HD1 TYR 7 HD1 TYR 7 -8.014 8.926 18.989
57 HD2 TYR 7 HD2 TYR 7 -9.369 11.067 15.571
58 HE1 TYR 7 HE1 TYR 7 -10.292 8.951 19.915
59 HE2 TYR 7 HE2 TYR 7 -11.650 11.099 16.488
60 HH TYR 7 HH TYR 7 -12.464 9.367 19.450
61 H LYS 8 H LYS 8 -7.416 12.889 18.297
62 HA LYS 8 HA LYS 8 -6.646 13.838 20.222
63 HB2 LYS 8 HB2 LYS 8 -5.284 11.147 20.442
64 HB3 LYS 8 HB3 LYS 8 -5.458 12.296 21.762
65 HG2 LYS 8 HG2 LYS 8 -8.011 12.108 21.138
66 HG3 LYS 8 HG3 LYS 8 -7.492 10.555 20.477
67 HD2 LYS 8 HD2 LYS 8 -6.931 11.484 23.293
68 HD3 LYS 8 HD3 LYS 8 -8.280 10.441 22.839
69 HE2 LYS 8 HE2 LYS 8 -5.402 9.775 22.258
70 HE3 LYS 8 HE3 LYS 8 -6.235 9.265 23.727
71 HZ1 LYS 8 HZ1 LYS 8 -7.566 8.670 21.209
72 HZ2 LYS 8 HZ2 LYS 8 -7.451 7.743 22.620
73 HZ3 LYS 8 HZ3 LYS 8 -6.156 7.794 21.532
74 H GLN 9 H GLN 9 -5.187 14.571 17.954
75 HA GLN 9 HA GLN 9 -3.283 15.672 17.372
76 HB2 GLN 9 HB2 GLN 9 -2.435 15.413 20.254
77 HB3 GLN 9 HB3 GLN 9 -1.922 16.627 19.089
78 HG2 GLN 9 HG2 GLN 9 -4.501 17.164 19.036
79 HG3 GLN 9 HG3 GLN 9 -4.448 16.421 20.633
80 HE21 GLN 9 HE21 GLN 9 -4.228 17.826 22.204
81 HE22 GLN 9 HE22 GLN 9 -3.357 19.316 22.132
82 H ARG 10 H ARG 10 -3.388 12.816 17.167
83 HA ARG 10 HA ARG 10 -0.510 12.228 17.322
84 HB2 ARG 10 HB2 ARG 10 -1.880 11.019 19.074
85 HB3 ARG 10 HB3 ARG 10 -2.675 10.171 17.754
86 HG2 ARG 10 HG2 ARG 10 -1.075 8.642 18.137
87 HG3 ARG 10 HG3 ARG 10 -0.105 9.707 17.119
88 HD2 ARG 10 HD2 ARG 10 0.569 10.895 19.258
89 HD3 ARG 10 HD3 ARG 10 -0.157 9.539 20.121
90 HE ARG 10 HE ARG 10 1.618 8.486 18.258
91 HH11 ARG 10 HH11 ARG 10 1.707 10.484 21.108
92 HH12 ARG 10 HH12 ARG 10 3.300 9.981 21.570
93 HH21 ARG 10 HH21 ARG 10 3.716 7.816 18.855
94 HH22 ARG 10 HH22 ARG 10 4.441 8.465 20.286
95 H CYS 11 H CYS 11 0.128 12.318 15.260
96 HA CYS 11 HA CYS 11 -1.500 10.909 13.245
97 HB2 CYS 11 HB2 CYS 11 0.352 13.278 12.909
98 HB3 CYS 11 HB3 CYS 11 -0.403 12.412 11.575
99 H VAL 12 H VAL 12 -0.610 9.229 12.229
100 HA VAL 12 HA VAL 12 2.294 8.987 12.064
101 HB VAL 12 HB VAL 12 2.122 6.566 12.785
102 HG11 VAL 12 HG11 VAL 12 1.429 8.369 15.068
103 HG12 VAL 12 HG12 VAL 12 2.637 7.084 14.981
104 HG13 VAL 12 HG13 VAL 12 2.919 8.619 14.159
105 HG21 VAL 12 HG21 VAL 12 -0.439 6.649 12.615
106 HG22 VAL 12 HG22 VAL 12 0.272 5.783 13.977
107 HG23 VAL 12 HG23 VAL 12 -0.382 7.403 14.208
108 H THR 13 H THR 13 3.018 7.564 10.436
109 HA THR 13 HA THR 13 0.936 6.843 8.480
110 HB THR 13 HB THR 13 3.645 6.907 7.415
111 HG1 THR 13 HG1 THR 13 3.659 9.296 7.502
112 HG21 THR 13 HG21 THR 13 1.073 8.331 6.726
113 HG22 THR 13 HG22 THR 13 1.698 6.855 5.989
114 HG23 THR 13 HG23 THR 13 2.540 8.386 5.750
115 H TYR 14 H TYR 14 0.510 4.733 8.623
116 HA TYR 14 HA TYR 14 2.697 2.862 9.174
117 HB2 TYR 14 HB2 TYR 14 -0.250 2.809 9.568
118 HB3 TYR 14 HB3 TYR 14 0.545 1.275 9.231
119 HD1 TYR 14 HD1 TYR 14 1.736 0.137 10.914
120 HD2 TYR 14 HD2 TYR 14 0.537 4.171 11.549
121 HE1 TYR 14 HE1 TYR 14 2.395 -0.044 13.278
122 HE2 TYR 14 HE2 TYR 14 1.194 3.999 13.914
123 HH TYR 14 HH TYR 14 1.489 2.196 15.615
124 H CYS 15 H CYS 15 3.646 1.931 7.498
125 HA CYS 15 HA CYS 15 2.093 1.536 5.029
126 HB2 CYS 15 HB2 CYS 15 5.102 1.606 5.329
127 HB3 CYS 15 HB3 CYS 15 4.191 1.572 3.822
128 H ARG 16 H ARG 16 2.389 -0.423 3.840
129 HA ARG 16 HA ARG 16 2.293 -2.744 5.407
130 HB2 ARG 16 HB2 ARG 16 2.473 -2.183 2.479
131 HB3 ARG 16 HB3 ARG 16 2.748 -3.829 3.037
132 HG2 ARG 16 HG2 ARG 16 0.433 -3.492 2.375
133 HG3 ARG 16 HG3 ARG 16 0.556 -3.847 4.098
134 HD2 ARG 16 HD2 ARG 16 0.363 -1.456 4.598
135 HD3 ARG 16 HD3 ARG 16 0.235 -1.108 2.873
136 HE ARG 16 HE ARG 16 -1.745 -2.963 3.794
137 HH11 ARG 16 HH11 ARG 16 -0.928 0.408 3.502
138 HH12 ARG 16 HH12 ARG 16 -2.576 0.944 3.516
139 HH21 ARG 16 HH21 ARG 16 -3.919 -2.271 3.813
140 HH22 ARG 16 HH22 ARG 16 -4.276 -0.582 3.694
141 H GLY 17 H GLY 17 3.775 -4.256 5.979
142 HA2 GLY 17 HA2 GLY 17 6.141 -4.974 4.888
143 HA3 GLY 17 HA3 GLY 17 6.561 -3.508 5.764
144 H ARG 18 H ARG 18 7.036 -3.662 7.868
145 HA ARG 18 HA ARG 18 6.140 -6.028 9.351
146 HB2 ARG 18 HB2 ARG 18 8.467 -6.380 8.460
147 HB3 ARG 18 HB3 ARG 18 8.983 -5.012 9.437
148 HG2 ARG 18 HG2 ARG 18 9.531 -6.900 10.698
149 HG3 ARG 18 HG3 ARG 18 8.048 -6.289 11.429
150 HD2 ARG 18 HD2 ARG 18 6.819 -7.932 9.925
151 HD3 ARG 18 HD3 ARG 18 8.396 -8.656 9.612
152 HE ARG 18 HE ARG 18 7.791 -8.381 12.407
153 HH11 ARG 18 HH11 ARG 18 7.418 -10.386 9.584
154 HH12 ARG 18 HH12 ARG 18 7.190 -11.845 10.490
155 HH21 ARG 18 HH21 ARG 18 7.491 -10.296 13.611
156 HH22 ARG 18 HH22 ARG 18 7.230 -11.792 12.781
157 HN1 NH2 19 H1 NH2 19 5.885 -5.731 11.564
158 HN2 NH2 19 H2 NH2 19 5.924 -4.214 12.348
Start of MODEL 15
1 H PCA 1 H PCA 1 1.291 -0.024 -0.516
2 HA PCA 1 HA PCA 1 1.247 2.221 -0.437
3 HB2 PCA 1 HB2 PCA 1 -1.363 2.991 0.156
4 HB3 PCA 1 HB3 PCA 1 -0.927 2.439 -1.471
5 HG2 PCA 1 HG2 PCA 1 -2.092 0.777 0.826
6 HG3 PCA 1 HG3 PCA 1 -2.580 0.781 -0.883
7 H CYS 2 H CYS 2 0.178 3.863 1.238
8 HA CYS 2 HA CYS 2 0.719 2.758 3.916
9 HB2 CYS 2 HB2 CYS 2 1.393 5.500 2.831
10 HB3 CYS 2 HB3 CYS 2 1.618 5.000 4.503
11 H ARG 3 H ARG 3 -0.340 3.845 5.705
12 HA ARG 3 HA ARG 3 -2.803 5.262 4.939
13 HB2 ARG 3 HB2 ARG 3 -2.511 2.933 6.830
14 HB3 ARG 3 HB3 ARG 3 -3.898 4.011 6.875
15 HG2 ARG 3 HG2 ARG 3 -4.103 3.443 4.352
16 HG3 ARG 3 HG3 ARG 3 -3.090 2.059 4.767
17 HD2 ARG 3 HD2 ARG 3 -5.600 2.724 6.281
18 HD3 ARG 3 HD3 ARG 3 -5.617 1.720 4.832
19 HE ARG 3 HE ARG 3 -4.730 0.962 7.449
20 HH11 ARG 3 HH11 ARG 3 -4.372 0.354 4.041
21 HH12 ARG 3 HH12 ARG 3 -3.824 -1.275 4.256
22 HH21 ARG 3 HH21 ARG 3 -4.010 -1.181 7.747
23 HH22 ARG 3 HH22 ARG 3 -3.619 -2.149 6.365
24 H ARG 4 H ARG 4 -3.200 7.063 6.067
25 HA ARG 4 HA ARG 4 -1.543 7.577 8.447
26 HB2 ARG 4 HB2 ARG 4 -1.412 9.027 6.257
27 HB3 ARG 4 HB3 ARG 4 -2.872 9.767 6.901
28 HG2 ARG 4 HG2 ARG 4 -1.676 10.354 8.948
29 HG3 ARG 4 HG3 ARG 4 -0.212 9.608 8.305
30 HD2 ARG 4 HD2 ARG 4 -0.001 11.933 7.922
31 HD3 ARG 4 HD3 ARG 4 -0.394 11.206 6.364
32 HE ARG 4 HE ARG 4 -2.703 12.127 7.789
33 HH11 ARG 4 HH11 ARG 4 -0.106 13.071 5.671
34 HH12 ARG 4 HH12 ARG 4 -0.962 14.426 5.012
35 HH21 ARG 4 HH21 ARG 4 -3.840 13.909 6.930
36 HH22 ARG 4 HH22 ARG 4 -3.085 14.902 5.729
37 H LEU 5 H LEU 5 -2.524 7.865 10.342
38 HA LEU 5 HA LEU 5 -5.397 8.505 10.356
39 HB2 LEU 5 HB2 LEU 5 -4.042 6.638 12.289
40 HB3 LEU 5 HB3 LEU 5 -5.766 6.981 12.163
41 HG LEU 5 HG LEU 5 -4.415 5.794 9.797
42 HD11 LEU 5 HD11 LEU 5 -3.674 3.998 10.861
43 HD12 LEU 5 HD12 LEU 5 -5.333 3.640 11.341
44 HD13 LEU 5 HD13 LEU 5 -4.298 4.598 12.398
45 HD21 LEU 5 HD21 LEU 5 -7.099 5.401 11.117
46 HD22 LEU 5 HD22 LEU 5 -6.577 4.646 9.612
47 HD23 LEU 5 HD23 LEU 5 -6.767 6.398 9.701
48 H CYS 6 H CYS 6 -5.887 10.247 11.509
49 HA CYS 6 HA CYS 6 -3.947 11.177 13.523
50 HB2 CYS 6 HB2 CYS 6 -5.746 12.697 11.644
51 HB3 CYS 6 HB3 CYS 6 -5.058 13.452 13.077
52 H TYR 7 H TYR 7 -4.608 11.216 15.564
53 HA TYR 7 HA TYR 7 -7.318 11.862 16.279
54 HB2 TYR 7 HB2 TYR 7 -7.092 9.285 15.705
55 HB3 TYR 7 HB3 TYR 7 -6.430 9.214 17.335
56 HD1 TYR 7 HD1 TYR 7 -7.934 8.623 18.970
57 HD2 TYR 7 HD2 TYR 7 -9.331 10.860 15.631
58 HE1 TYR 7 HE1 TYR 7 -10.211 8.572 19.896
59 HE2 TYR 7 HE2 TYR 7 -11.612 10.817 16.550
60 HH TYR 7 HH TYR 7 -12.391 8.965 19.447
61 H LYS 8 H LYS 8 -7.460 12.661 18.321
62 HA LYS 8 HA LYS 8 -6.720 13.634 20.245
63 HB2 LYS 8 HB2 LYS 8 -5.350 10.950 20.395
64 HB3 LYS 8 HB3 LYS 8 -5.331 12.110 21.717
65 HG2 LYS 8 HG2 LYS 8 -7.844 12.052 21.660
66 HG3 LYS 8 HG3 LYS 8 -7.708 10.693 20.543
67 HD2 LYS 8 HD2 LYS 8 -8.000 9.828 22.764
68 HD3 LYS 8 HD3 LYS 8 -6.341 9.504 22.252
69 HE2 LYS 8 HE2 LYS 8 -5.469 11.175 23.640
70 HE3 LYS 8 HE3 LYS 8 -7.037 11.957 23.836
71 HZ1 LYS 8 HZ1 LYS 8 -6.256 9.320 24.956
72 HZ2 LYS 8 HZ2 LYS 8 -7.778 10.037 25.122
73 HZ3 LYS 8 HZ3 LYS 8 -6.421 10.761 25.828
74 H GLN 9 H GLN 9 -5.310 14.438 17.969
75 HA GLN 9 HA GLN 9 -3.462 15.621 17.373
76 HB2 GLN 9 HB2 GLN 9 -2.560 15.406 20.243
77 HB3 GLN 9 HB3 GLN 9 -2.156 16.657 19.075
78 HG2 GLN 9 HG2 GLN 9 -4.498 17.396 19.082
79 HG3 GLN 9 HG3 GLN 9 -4.865 16.170 20.294
80 HE21 GLN 9 HE21 GLN 9 -3.805 16.343 22.360
81 HE22 GLN 9 HE22 GLN 9 -3.351 17.897 22.962
82 H ARG 10 H ARG 10 -3.438 12.766 17.170
83 HA ARG 10 HA ARG 10 -0.533 12.311 17.310
84 HB2 ARG 10 HB2 ARG 10 -1.843 11.039 19.067
85 HB3 ARG 10 HB3 ARG 10 -2.596 10.152 17.749
86 HG2 ARG 10 HG2 ARG 10 0.291 10.166 17.529
87 HG3 ARG 10 HG3 ARG 10 -0.258 9.492 19.065
88 HD2 ARG 10 HD2 ARG 10 -1.922 8.154 17.598
89 HD3 ARG 10 HD3 ARG 10 -0.829 8.563 16.276
90 HE ARG 10 HE ARG 10 0.711 7.088 17.127
91 HH11 ARG 10 HH11 ARG 10 -1.795 7.643 19.478
92 HH12 ARG 10 HH12 ARG 10 -1.268 6.373 20.533
93 HH21 ARG 10 HH21 ARG 10 1.415 5.413 18.508
94 HH22 ARG 10 HH22 ARG 10 0.559 5.107 19.980
95 H CYS 11 H CYS 11 0.096 12.415 15.248
96 HA CYS 11 HA CYS 11 -1.487 10.954 13.237
97 HB2 CYS 11 HB2 CYS 11 0.286 13.382 12.913
98 HB3 CYS 11 HB3 CYS 11 -0.415 12.486 11.568
99 H VAL 12 H VAL 12 -0.552 9.297 12.221
100 HA VAL 12 HA VAL 12 2.357 9.137 12.053
101 HB VAL 12 HB VAL 12 2.249 6.710 12.774
102 HG11 VAL 12 HG11 VAL 12 1.540 8.549 15.032
103 HG12 VAL 12 HG12 VAL 12 2.719 7.237 14.995
104 HG13 VAL 12 HG13 VAL 12 3.047 8.742 14.137
105 HG21 VAL 12 HG21 VAL 12 -0.244 7.469 14.249
106 HG22 VAL 12 HG22 VAL 12 -0.336 6.777 12.630
107 HG23 VAL 12 HG23 VAL 12 0.422 5.867 13.936
108 H THR 13 H THR 13 3.120 7.719 10.435
109 HA THR 13 HA THR 13 1.081 7.047 8.425
110 HB THR 13 HB THR 13 3.819 6.880 7.475
111 HG1 THR 13 HG1 THR 13 2.926 9.404 8.464
112 HG21 THR 13 HG21 THR 13 1.466 8.605 6.689
113 HG22 THR 13 HG22 THR 13 1.865 7.022 6.019
114 HG23 THR 13 HG23 THR 13 2.941 8.391 5.747
115 H TYR 14 H TYR 14 0.476 4.982 8.676
116 HA TYR 14 HA TYR 14 2.506 2.959 9.289
117 HB2 TYR 14 HB2 TYR 14 -0.440 3.149 9.644
118 HB3 TYR 14 HB3 TYR 14 0.227 1.549 9.337
119 HD1 TYR 14 HD1 TYR 14 2.311 0.921 10.836
120 HD2 TYR 14 HD2 TYR 14 -0.568 3.891 11.829
121 HE1 TYR 14 HE1 TYR 14 2.930 0.720 13.207
122 HE2 TYR 14 HE2 TYR 14 0.044 3.699 14.204
123 HH TYR 14 HH TYR 14 2.660 1.550 15.257
124 H CYS 15 H CYS 15 3.407 1.928 7.647
125 HA CYS 15 HA CYS 15 1.852 1.572 5.171
126 HB2 CYS 15 HB2 CYS 15 4.859 1.474 5.479
127 HB3 CYS 15 HB3 CYS 15 3.947 1.477 3.973
128 H ARG 16 H ARG 16 2.119 -0.426 4.003
129 HA ARG 16 HA ARG 16 2.104 -2.700 5.759
130 HB2 ARG 16 HB2 ARG 16 1.743 -2.387 2.782
131 HB3 ARG 16 HB3 ARG 16 1.732 -3.957 3.575
132 HG2 ARG 16 HG2 ARG 16 -0.088 -1.800 4.541
133 HG3 ARG 16 HG3 ARG 16 -0.501 -2.722 3.094
134 HD2 ARG 16 HD2 ARG 16 -1.529 -3.959 4.746
135 HD3 ARG 16 HD3 ARG 16 0.022 -4.785 4.594
136 HE ARG 16 HE ARG 16 -0.010 -2.710 6.589
137 HH11 ARG 16 HH11 ARG 16 -0.646 -6.068 5.925
138 HH12 ARG 16 HH12 ARG 16 -0.461 -6.564 7.575
139 HH21 ARG 16 HH21 ARG 16 0.236 -3.351 8.764
140 HH22 ARG 16 HH22 ARG 16 0.041 -5.016 9.189
141 H GLY 17 H GLY 17 3.537 -4.416 5.819
142 HA2 GLY 17 HA2 GLY 17 5.460 -5.448 4.489
143 HA3 GLY 17 HA3 GLY 17 6.172 -3.847 4.625
144 H ARG 18 H ARG 18 7.216 -6.386 5.587
145 HA ARG 18 HA ARG 18 7.319 -5.773 8.467
146 HB2 ARG 18 HB2 ARG 18 7.176 -8.397 7.031
147 HB3 ARG 18 HB3 ARG 18 8.007 -8.303 8.579
148 HG2 ARG 18 HG2 ARG 18 5.195 -7.323 8.204
149 HG3 ARG 18 HG3 ARG 18 5.571 -8.995 8.620
150 HD2 ARG 18 HD2 ARG 18 6.483 -6.600 10.206
151 HD3 ARG 18 HD3 ARG 18 5.044 -7.549 10.579
152 HE ARG 18 HE ARG 18 7.299 -9.238 10.400
153 HH11 ARG 18 HH11 ARG 18 5.854 -6.832 12.460
154 HH12 ARG 18 HH12 ARG 18 6.557 -7.465 13.911
155 HH21 ARG 18 HH21 ARG 18 8.229 -10.081 12.305
156 HH22 ARG 18 HH22 ARG 18 7.907 -9.313 13.822
157 HN1 NH2 19 H1 NH2 19 9.193 -7.792 6.202
158 HN2 NH2 19 H2 NH2 19 10.738 -7.157 6.559
Start of MODEL 16
1 H PCA 1 H PCA 1 0.821 -1.058 0.199
2 HA PCA 1 HA PCA 1 1.030 1.154 -0.131
3 HB2 PCA 1 HB2 PCA 1 -1.479 2.301 0.252
4 HB3 PCA 1 HB3 PCA 1 -1.101 1.419 -1.238
5 HG2 PCA 1 HG2 PCA 1 -2.456 0.339 1.292
6 HG3 PCA 1 HG3 PCA 1 -2.933 0.086 -0.402
7 H CYS 2 H CYS 2 0.043 3.174 1.208
8 HA CYS 2 HA CYS 2 0.515 2.529 4.046
9 HB2 CYS 2 HB2 CYS 2 1.310 5.058 2.587
10 HB3 CYS 2 HB3 CYS 2 1.641 4.680 4.275
11 H ARG 3 H ARG 3 -0.389 4.132 5.578
12 HA ARG 3 HA ARG 3 -2.637 5.696 4.600
13 HB2 ARG 3 HB2 ARG 3 -4.244 4.649 6.111
14 HB3 ARG 3 HB3 ARG 3 -3.601 3.470 4.975
15 HG2 ARG 3 HG2 ARG 3 -2.269 2.451 6.625
16 HG3 ARG 3 HG3 ARG 3 -2.493 3.797 7.744
17 HD2 ARG 3 HD2 ARG 3 -3.964 2.267 8.616
18 HD3 ARG 3 HD3 ARG 3 -5.023 3.156 7.523
19 HE ARG 3 HE ARG 3 -5.227 1.272 6.234
20 HH11 ARG 3 HH11 ARG 3 -2.566 0.877 8.445
21 HH12 ARG 3 HH12 ARG 3 -2.337 -0.801 8.074
22 HH21 ARG 3 HH21 ARG 3 -4.936 -0.936 5.736
23 HH22 ARG 3 HH22 ARG 3 -3.684 -1.830 6.533
24 H ARG 4 H ARG 4 -3.268 7.341 5.990
25 HA ARG 4 HA ARG 4 -1.494 7.748 8.305
26 HB2 ARG 4 HB2 ARG 4 -1.184 9.409 6.539
27 HB3 ARG 4 HB3 ARG 4 -2.900 9.791 6.576
28 HG2 ARG 4 HG2 ARG 4 -2.731 10.768 8.725
29 HG3 ARG 4 HG3 ARG 4 -1.098 10.139 8.955
30 HD2 ARG 4 HD2 ARG 4 -1.650 11.937 6.642
31 HD3 ARG 4 HD3 ARG 4 -1.498 12.637 8.252
32 HE ARG 4 HE ARG 4 0.673 10.911 7.767
33 HH11 ARG 4 HH11 ARG 4 -0.595 14.001 6.785
34 HH12 ARG 4 HH12 ARG 4 0.960 14.665 6.406
35 HH21 ARG 4 HH21 ARG 4 2.725 11.773 7.272
36 HH22 ARG 4 HH22 ARG 4 2.847 13.396 6.682
37 H LEU 5 H LEU 5 -2.357 7.995 10.279
38 HA LEU 5 HA LEU 5 -5.273 8.357 10.480
39 HB2 LEU 5 HB2 LEU 5 -3.598 6.688 12.341
40 HB3 LEU 5 HB3 LEU 5 -5.354 6.836 12.322
41 HG LEU 5 HG LEU 5 -4.003 5.747 9.903
42 HD11 LEU 5 HD11 LEU 5 -4.632 3.529 11.459
43 HD12 LEU 5 HD12 LEU 5 -3.739 4.601 12.538
44 HD13 LEU 5 HD13 LEU 5 -3.021 4.091 11.010
45 HD21 LEU 5 HD21 LEU 5 -6.400 4.515 11.079
46 HD22 LEU 5 HD22 LEU 5 -6.054 4.962 9.409
47 HD23 LEU 5 HD23 LEU 5 -6.588 6.189 10.558
48 H CYS 6 H CYS 6 -5.868 10.065 11.632
49 HA CYS 6 HA CYS 6 -3.957 11.176 13.581
50 HB2 CYS 6 HB2 CYS 6 -5.786 12.563 11.631
51 HB3 CYS 6 HB3 CYS 6 -5.163 13.389 13.057
52 H TYR 7 H TYR 7 -4.650 11.344 15.611
53 HA TYR 7 HA TYR 7 -7.365 11.902 16.296
54 HB2 TYR 7 HB2 TYR 7 -7.113 9.320 15.731
55 HB3 TYR 7 HB3 TYR 7 -6.491 9.264 17.377
56 HD1 TYR 7 HD1 TYR 7 -7.991 8.928 19.101
57 HD2 TYR 7 HD2 TYR 7 -9.396 10.636 15.466
58 HE1 TYR 7 HE1 TYR 7 -10.291 8.874 19.971
59 HE2 TYR 7 HE2 TYR 7 -11.700 10.588 16.328
60 HH TYR 7 HH TYR 7 -13.039 9.631 17.954
61 H LYS 8 H LYS 8 -7.517 12.735 18.317
62 HA LYS 8 HA LYS 8 -6.794 13.719 20.241
63 HB2 LYS 8 HB2 LYS 8 -5.432 11.032 20.459
64 HB3 LYS 8 HB3 LYS 8 -5.493 12.202 21.772
65 HG2 LYS 8 HG2 LYS 8 -8.030 12.112 21.499
66 HG3 LYS 8 HG3 LYS 8 -7.746 10.665 20.528
67 HD2 LYS 8 HD2 LYS 8 -6.580 10.962 23.278
68 HD3 LYS 8 HD3 LYS 8 -8.223 10.366 23.035
69 HE2 LYS 8 HE2 LYS 8 -5.778 9.169 21.740
70 HE3 LYS 8 HE3 LYS 8 -6.488 8.580 23.242
71 HZ1 LYS 8 HZ1 LYS 8 -8.447 8.834 21.194
72 HZ2 LYS 8 HZ2 LYS 8 -8.032 7.480 22.117
73 HZ3 LYS 8 HZ3 LYS 8 -7.181 7.827 20.698
74 H GLN 9 H GLN 9 -5.337 14.484 17.987
75 HA GLN 9 HA GLN 9 -3.461 15.637 17.415
76 HB2 GLN 9 HB2 GLN 9 -2.622 15.412 20.303
77 HB3 GLN 9 HB3 GLN 9 -2.147 16.640 19.137
78 HG2 GLN 9 HG2 GLN 9 -4.936 16.254 20.197
79 HG3 GLN 9 HG3 GLN 9 -3.783 17.452 20.781
80 HE21 GLN 9 HE21 GLN 9 -2.713 18.547 18.646
81 HE22 GLN 9 HE22 GLN 9 -3.902 19.268 17.621
82 H ARG 10 H ARG 10 -3.483 12.779 17.220
83 HA ARG 10 HA ARG 10 -0.590 12.275 17.400
84 HB2 ARG 10 HB2 ARG 10 -1.951 11.031 19.142
85 HB3 ARG 10 HB3 ARG 10 -2.692 10.150 17.812
86 HG2 ARG 10 HG2 ARG 10 -0.408 9.411 17.130
87 HG3 ARG 10 HG3 ARG 10 0.208 10.149 18.610
88 HD2 ARG 10 HD2 ARG 10 -0.765 8.577 19.963
89 HD3 ARG 10 HD3 ARG 10 -2.064 8.241 18.819
90 HE ARG 10 HE ARG 10 0.512 6.968 18.943
91 HH11 ARG 10 HH11 ARG 10 -2.218 7.733 16.922
92 HH12 ARG 10 HH12 ARG 10 -1.934 6.426 15.821
93 HH21 ARG 10 HH21 ARG 10 0.896 5.244 17.499
94 HH22 ARG 10 HH22 ARG 10 -0.164 5.009 16.150
95 H CYS 11 H CYS 11 -0.008 12.480 15.314
96 HA CYS 11 HA CYS 11 -1.556 10.985 13.301
97 HB2 CYS 11 HB2 CYS 11 0.195 13.431 13.012
98 HB3 CYS 11 HB3 CYS 11 -0.446 12.525 11.644
99 H VAL 12 H VAL 12 -0.612 9.334 12.285
100 HA VAL 12 HA VAL 12 2.297 9.179 12.132
101 HB VAL 12 HB VAL 12 2.200 6.755 12.850
102 HG11 VAL 12 HG11 VAL 12 1.440 8.580 15.104
103 HG12 VAL 12 HG12 VAL 12 2.630 7.277 15.080
104 HG13 VAL 12 HG13 VAL 12 2.958 8.789 14.232
105 HG21 VAL 12 HG21 VAL 12 -0.355 7.522 14.229
106 HG22 VAL 12 HG22 VAL 12 -0.349 6.722 12.658
107 HG23 VAL 12 HG23 VAL 12 0.368 5.922 14.056
108 H THR 13 H THR 13 3.071 7.768 10.511
109 HA THR 13 HA THR 13 1.021 7.003 8.537
110 HB THR 13 HB THR 13 3.739 7.122 7.502
111 HG1 THR 13 HG1 THR 13 4.195 8.858 8.704
112 HG21 THR 13 HG21 THR 13 2.647 8.506 5.788
113 HG22 THR 13 HG22 THR 13 1.179 8.544 6.766
114 HG23 THR 13 HG23 THR 13 1.751 7.018 6.094
115 H TYR 14 H TYR 14 0.629 4.887 8.737
116 HA TYR 14 HA TYR 14 2.901 3.066 9.148
117 HB2 TYR 14 HB2 TYR 14 0.035 2.986 9.935
118 HB3 TYR 14 HB3 TYR 14 0.804 1.453 9.543
119 HD1 TYR 14 HD1 TYR 14 3.317 1.337 10.657
120 HD2 TYR 14 HD2 TYR 14 -0.031 3.478 12.178
121 HE1 TYR 14 HE1 TYR 14 4.291 1.245 12.915
122 HE2 TYR 14 HE2 TYR 14 0.934 3.392 14.439
123 HH TYR 14 HH TYR 14 3.472 1.362 15.279
124 H CYS 15 H CYS 15 3.499 1.704 7.586
125 HA CYS 15 HA CYS 15 1.773 1.495 5.210
126 HB2 CYS 15 HB2 CYS 15 4.772 1.144 5.415
127 HB3 CYS 15 HB3 CYS 15 3.821 1.033 3.937
128 H ARG 16 H ARG 16 1.210 -0.473 4.420
129 HA ARG 16 HA ARG 16 1.328 -2.711 6.151
130 HB2 ARG 16 HB2 ARG 16 0.345 -2.245 3.363
131 HB3 ARG 16 HB3 ARG 16 0.486 -3.893 3.963
132 HG2 ARG 16 HG2 ARG 16 -0.881 -2.979 5.983
133 HG3 ARG 16 HG3 ARG 16 -1.328 -1.700 4.851
134 HD2 ARG 16 HD2 ARG 16 -1.540 -4.538 3.970
135 HD3 ARG 16 HD3 ARG 16 -2.762 -3.897 5.070
136 HE ARG 16 HE ARG 16 -2.349 -2.166 2.854
137 HH11 ARG 16 HH11 ARG 16 -3.887 -5.140 3.808
138 HH12 ARG 16 HH12 ARG 16 -5.121 -5.042 2.597
139 HH21 ARG 16 HH21 ARG 16 -3.971 -2.025 1.256
140 HH22 ARG 16 HH22 ARG 16 -5.168 -3.271 1.145
141 H GLY 17 H GLY 17 2.528 -4.580 6.064
142 HA2 GLY 17 HA2 GLY 17 4.496 -4.913 3.935
143 HA3 GLY 17 HA3 GLY 17 5.129 -4.670 5.556
144 H ARG 18 H ARG 18 6.106 -6.798 5.175
145 HA ARG 18 HA ARG 18 4.392 -9.100 5.044
146 HB2 ARG 18 HB2 ARG 18 7.320 -9.036 5.772
147 HB3 ARG 18 HB3 ARG 18 6.404 -10.400 5.147
148 HG2 ARG 18 HG2 ARG 18 6.081 -9.155 3.030
149 HG3 ARG 18 HG3 ARG 18 7.125 -7.882 3.666
150 HD2 ARG 18 HD2 ARG 18 9.005 -9.304 3.705
151 HD3 ARG 18 HD3 ARG 18 8.013 -10.746 3.495
152 HE ARG 18 HE ARG 18 7.662 -9.081 1.269
153 HH11 ARG 18 HH11 ARG 18 10.107 -11.060 2.760
154 HH12 ARG 18 HH12 ARG 18 10.914 -11.415 1.268
155 HH21 ARG 18 HH21 ARG 18 8.715 -9.541 -0.702
156 HH22 ARG 18 HH22 ARG 18 10.122 -10.550 -0.700
157 HN1 NH2 19 H1 NH2 19 6.701 -7.954 7.516
158 HN2 NH2 19 H2 NH2 19 5.899 -8.588 8.884
Start of MODEL 17
1 H PCA 1 H PCA 1 1.186 -0.703 -0.130
2 HA PCA 1 HA PCA 1 1.028 1.531 -0.299
3 HB2 PCA 1 HB2 PCA 1 -1.620 2.226 0.213
4 HB3 PCA 1 HB3 PCA 1 -1.150 1.522 -1.345
5 HG2 PCA 1 HG2 PCA 1 -2.237 0.065 1.124
6 HG3 PCA 1 HG3 PCA 1 -2.719 -0.145 -0.575
7 H CYS 2 H CYS 2 0.147 3.332 1.155
8 HA CYS 2 HA CYS 2 0.573 2.526 3.958
9 HB2 CYS 2 HB2 CYS 2 1.360 5.123 2.618
10 HB3 CYS 2 HB3 CYS 2 1.630 4.717 4.310
11 H ARG 3 H ARG 3 -0.324 4.109 5.562
12 HA ARG 3 HA ARG 3 -2.652 5.595 4.635
13 HB2 ARG 3 HB2 ARG 3 -4.126 4.504 6.302
14 HB3 ARG 3 HB3 ARG 3 -3.585 3.402 5.043
15 HG2 ARG 3 HG2 ARG 3 -3.170 2.045 6.781
16 HG3 ARG 3 HG3 ARG 3 -1.676 2.979 6.894
17 HD2 ARG 3 HD2 ARG 3 -2.376 3.176 9.049
18 HD3 ARG 3 HD3 ARG 3 -3.231 4.555 8.361
19 HE ARG 3 HE ARG 3 -5.221 3.458 8.697
20 HH11 ARG 3 HH11 ARG 3 -2.575 1.237 9.124
21 HH12 ARG 3 HH12 ARG 3 -3.568 -0.027 9.768
22 HH21 ARG 3 HH21 ARG 3 -6.540 1.802 9.544
23 HH22 ARG 3 HH22 ARG 3 -5.825 0.295 10.006
24 H ARG 4 H ARG 4 -3.306 7.230 6.028
25 HA ARG 4 HA ARG 4 -1.506 7.707 8.312
26 HB2 ARG 4 HB2 ARG 4 -1.384 9.289 6.319
27 HB3 ARG 4 HB3 ARG 4 -2.993 9.831 6.774
28 HG2 ARG 4 HG2 ARG 4 -2.230 10.728 8.810
29 HG3 ARG 4 HG3 ARG 4 -0.684 9.886 8.689
30 HD2 ARG 4 HD2 ARG 4 -0.249 11.248 6.607
31 HD3 ARG 4 HD3 ARG 4 -1.666 12.203 7.037
32 HE ARG 4 HE ARG 4 -0.139 12.253 9.284
33 HH11 ARG 4 HH11 ARG 4 0.428 13.036 5.940
34 HH12 ARG 4 HH12 ARG 4 1.606 14.256 6.289
35 HH21 ARG 4 HH21 ARG 4 1.412 13.857 9.759
36 HH22 ARG 4 HH22 ARG 4 2.167 14.721 8.461
37 H LEU 5 H LEU 5 -2.371 8.022 10.278
38 HA LEU 5 HA LEU 5 -5.285 8.390 10.468
39 HB2 LEU 5 HB2 LEU 5 -3.633 6.713 12.346
40 HB3 LEU 5 HB3 LEU 5 -5.388 6.884 12.324
41 HG LEU 5 HG LEU 5 -4.054 5.764 9.910
42 HD11 LEU 5 HD11 LEU 5 -3.706 4.658 12.524
43 HD12 LEU 5 HD12 LEU 5 -3.133 4.051 10.970
44 HD13 LEU 5 HD13 LEU 5 -4.729 3.591 11.563
45 HD21 LEU 5 HD21 LEU 5 -6.702 5.718 11.230
46 HD22 LEU 5 HD22 LEU 5 -6.214 4.261 10.362
47 HD23 LEU 5 HD23 LEU 5 -6.286 5.810 9.518
48 H CYS 6 H CYS 6 -5.901 10.058 11.679
49 HA CYS 6 HA CYS 6 -3.964 11.183 13.595
50 HB2 CYS 6 HB2 CYS 6 -5.798 12.576 11.653
51 HB3 CYS 6 HB3 CYS 6 -5.161 13.400 13.074
52 H TYR 7 H TYR 7 -4.644 11.327 15.629
53 HA TYR 7 HA TYR 7 -7.362 11.901 16.321
54 HB2 TYR 7 HB2 TYR 7 -7.108 9.317 15.769
55 HB3 TYR 7 HB3 TYR 7 -6.470 9.269 17.410
56 HD1 TYR 7 HD1 TYR 7 -7.979 8.770 19.073
57 HD2 TYR 7 HD2 TYR 7 -9.372 10.791 15.598
58 HE1 TYR 7 HE1 TYR 7 -10.270 8.713 19.966
59 HE2 TYR 7 HE2 TYR 7 -11.667 10.742 16.482
60 HH TYR 7 HH TYR 7 -12.701 8.787 18.803
61 H LYS 8 H LYS 8 -7.511 12.738 18.342
62 HA LYS 8 HA LYS 8 -6.784 13.736 20.258
63 HB2 LYS 8 HB2 LYS 8 -5.430 11.046 20.469
64 HB3 LYS 8 HB3 LYS 8 -5.436 12.223 21.774
65 HG2 LYS 8 HG2 LYS 8 -7.871 12.139 21.851
66 HG3 LYS 8 HG3 LYS 8 -7.875 10.970 20.528
67 HD2 LYS 8 HD2 LYS 8 -8.090 9.664 22.461
68 HD3 LYS 8 HD3 LYS 8 -6.382 9.538 22.037
69 HE2 LYS 8 HE2 LYS 8 -5.967 11.429 23.654
70 HE3 LYS 8 HE3 LYS 8 -7.637 11.233 24.187
71 HZ1 LYS 8 HZ1 LYS 8 -6.229 10.003 25.641
72 HZ2 LYS 8 HZ2 LYS 8 -5.465 9.218 24.351
73 HZ3 LYS 8 HZ3 LYS 8 -7.087 8.888 24.701
74 H GLN 9 H GLN 9 -5.342 14.499 17.992
75 HA GLN 9 HA GLN 9 -3.477 15.660 17.404
76 HB2 GLN 9 HB2 GLN 9 -2.654 15.455 20.301
77 HB3 GLN 9 HB3 GLN 9 -2.138 16.659 19.128
78 HG2 GLN 9 HG2 GLN 9 -3.690 17.886 20.217
79 HG3 GLN 9 HG3 GLN 9 -4.744 17.126 19.025
80 HE21 GLN 9 HE21 GLN 9 -6.584 16.536 19.897
81 HE22 GLN 9 HE22 GLN 9 -6.801 15.852 21.469
82 H ARG 10 H ARG 10 -3.482 12.802 17.224
83 HA ARG 10 HA ARG 10 -0.584 12.317 17.392
84 HB2 ARG 10 HB2 ARG 10 -2.192 11.067 19.075
85 HB3 ARG 10 HB3 ARG 10 -2.489 10.035 17.682
86 HG2 ARG 10 HG2 ARG 10 -0.295 9.276 17.618
87 HG3 ARG 10 HG3 ARG 10 0.304 10.633 18.573
88 HD2 ARG 10 HD2 ARG 10 0.310 8.688 19.964
89 HD3 ARG 10 HD3 ARG 10 -0.990 9.747 20.511
90 HE ARG 10 HE ARG 10 -1.828 7.737 18.631
91 HH11 ARG 10 HH11 ARG 10 -1.273 8.482 21.985
92 HH12 ARG 10 HH12 ARG 10 -2.361 7.268 22.570
93 HH21 ARG 10 HH21 ARG 10 -3.264 6.134 19.388
94 HH22 ARG 10 HH22 ARG 10 -3.493 5.932 21.092
95 H CYS 11 H CYS 11 -0.004 12.502 15.306
96 HA CYS 11 HA CYS 11 -1.559 10.997 13.306
97 HB2 CYS 11 HB2 CYS 11 0.193 13.442 12.998
98 HB3 CYS 11 HB3 CYS 11 -0.452 12.529 11.638
99 H VAL 12 H VAL 12 -0.620 9.340 12.297
100 HA VAL 12 HA VAL 12 2.291 9.182 12.135
101 HB VAL 12 HB VAL 12 2.190 6.760 12.868
102 HG11 VAL 12 HG11 VAL 12 2.746 8.990 14.260
103 HG12 VAL 12 HG12 VAL 12 1.434 8.339 15.244
104 HG13 VAL 12 HG13 VAL 12 2.873 7.367 14.934
105 HG21 VAL 12 HG21 VAL 12 0.363 5.922 14.049
106 HG22 VAL 12 HG22 VAL 12 -0.335 7.522 14.294
107 HG23 VAL 12 HG23 VAL 12 -0.379 6.777 12.697
108 H THR 13 H THR 13 3.059 7.769 10.519
109 HA THR 13 HA THR 13 1.005 7.003 8.550
110 HB THR 13 HB THR 13 3.724 7.083 7.517
111 HG1 THR 13 HG1 THR 13 4.030 9.297 7.722
112 HG21 THR 13 HG21 THR 13 2.645 8.491 5.804
113 HG22 THR 13 HG22 THR 13 1.174 8.527 6.778
114 HG23 THR 13 HG23 THR 13 1.747 7.003 6.101
115 H TYR 14 H TYR 14 0.594 4.891 8.708
116 HA TYR 14 HA TYR 14 2.843 3.047 9.162
117 HB2 TYR 14 HB2 TYR 14 -0.033 2.998 9.918
118 HB3 TYR 14 HB3 TYR 14 0.726 1.455 9.539
119 HD1 TYR 14 HD1 TYR 14 3.294 1.451 10.658
120 HD2 TYR 14 HD2 TYR 14 -0.188 3.362 12.183
121 HE1 TYR 14 HE1 TYR 14 4.242 1.356 12.926
122 HE2 TYR 14 HE2 TYR 14 0.750 3.273 14.454
123 HH TYR 14 HH TYR 14 2.681 2.942 15.637
124 H CYS 15 H CYS 15 3.458 1.708 7.594
125 HA CYS 15 HA CYS 15 1.746 1.495 5.208
126 HB2 CYS 15 HB2 CYS 15 4.738 1.103 5.415
127 HB3 CYS 15 HB3 CYS 15 3.783 1.062 3.936
128 H ARG 16 H ARG 16 0.870 -0.413 4.773
129 HA ARG 16 HA ARG 16 1.050 -2.647 6.385
130 HB2 ARG 16 HB2 ARG 16 0.375 -2.557 3.438
131 HB3 ARG 16 HB3 ARG 16 0.011 -3.891 4.524
132 HG2 ARG 16 HG2 ARG 16 -1.235 -2.039 5.890
133 HG3 ARG 16 HG3 ARG 16 -1.243 -1.199 4.337
134 HD2 ARG 16 HD2 ARG 16 -2.348 -3.947 4.905
135 HD3 ARG 16 HD3 ARG 16 -3.281 -2.483 4.604
136 HE ARG 16 HE ARG 16 -1.605 -2.887 2.416
137 HH11 ARG 16 HH11 ARG 16 -4.308 -4.434 3.970
138 HH12 ARG 16 HH12 ARG 16 -4.906 -5.148 2.510
139 HH21 ARG 16 HH21 ARG 16 -2.380 -3.824 0.487
140 HH22 ARG 16 HH22 ARG 16 -3.808 -4.802 0.530
141 H GLY 17 H GLY 17 2.299 -4.452 6.468
142 HA2 GLY 17 HA2 GLY 17 3.819 -5.726 4.667
143 HA3 GLY 17 HA3 GLY 17 4.831 -4.339 5.048
144 H ARG 18 H ARG 18 5.227 -3.990 7.434
145 HA ARG 18 HA ARG 18 5.302 -6.520 8.918
146 HB2 ARG 18 HB2 ARG 18 7.485 -6.304 7.867
147 HB3 ARG 18 HB3 ARG 18 7.652 -4.668 8.492
148 HG2 ARG 18 HG2 ARG 18 8.077 -5.381 10.633
149 HG3 ARG 18 HG3 ARG 18 7.243 -6.919 10.399
150 HD2 ARG 18 HD2 ARG 18 9.726 -7.106 10.558
151 HD3 ARG 18 HD3 ARG 18 9.039 -7.771 9.077
152 HE ARG 18 HE ARG 18 9.765 -5.115 8.592
153 HH11 ARG 18 HH11 ARG 18 11.257 -8.180 9.301
154 HH12 ARG 18 HH12 ARG 18 12.725 -7.808 8.460
155 HH21 ARG 18 HH21 ARG 18 11.693 -4.613 7.483
156 HH22 ARG 18 HH22 ARG 18 12.972 -5.778 7.427
157 HN1 NH2 19 H1 NH2 19 4.696 -6.311 10.981
158 HN2 NH2 19 H2 NH2 19 4.548 -4.865 11.878
Start of MODEL 18
1 H PCA 1 H PCA 1 1.264 0.114 -0.597
2 HA PCA 1 HA PCA 1 1.477 2.341 -0.386
3 HB2 PCA 1 HB2 PCA 1 -1.062 3.385 0.086
4 HB3 PCA 1 HB3 PCA 1 -0.580 2.871 -1.540
5 HG2 PCA 1 HG2 PCA 1 -2.088 1.241 0.577
6 HG3 PCA 1 HG3 PCA 1 -2.453 1.393 -1.158
7 H CYS 2 H CYS 2 0.374 3.999 1.318
8 HA CYS 2 HA CYS 2 0.661 2.708 3.952
9 HB2 CYS 2 HB2 CYS 2 1.552 5.495 3.181
10 HB3 CYS 2 HB3 CYS 2 1.765 4.730 4.751
11 H ARG 3 H ARG 3 -0.459 3.725 5.723
12 HA ARG 3 HA ARG 3 -2.790 5.312 4.865
13 HB2 ARG 3 HB2 ARG 3 -2.618 2.918 6.652
14 HB3 ARG 3 HB3 ARG 3 -3.867 4.120 6.944
15 HG2 ARG 3 HG2 ARG 3 -4.528 3.831 4.521
16 HG3 ARG 3 HG3 ARG 3 -3.462 2.424 4.500
17 HD2 ARG 3 HD2 ARG 3 -5.666 2.771 6.517
18 HD3 ARG 3 HD3 ARG 3 -5.915 1.980 4.962
19 HE ARG 3 HE ARG 3 -4.557 0.907 7.257
20 HH11 ARG 3 HH11 ARG 3 -4.883 0.755 3.795
21 HH12 ARG 3 HH12 ARG 3 -4.312 -0.876 3.682
22 HH21 ARG 3 HH21 ARG 3 -3.802 -1.240 7.123
23 HH22 ARG 3 HH22 ARG 3 -3.698 -2.011 5.576
24 H ARG 4 H ARG 4 -3.332 7.057 6.077
25 HA ARG 4 HA ARG 4 -1.588 7.653 8.375
26 HB2 ARG 4 HB2 ARG 4 -1.606 9.112 6.202
27 HB3 ARG 4 HB3 ARG 4 -3.096 9.763 6.874
28 HG2 ARG 4 HG2 ARG 4 -1.803 10.293 8.961
29 HG3 ARG 4 HG3 ARG 4 -0.342 9.860 8.072
30 HD2 ARG 4 HD2 ARG 4 -0.624 12.240 7.965
31 HD3 ARG 4 HD3 ARG 4 -0.944 11.566 6.368
32 HE ARG 4 HE ARG 4 -3.297 11.916 7.987
33 HH11 ARG 4 HH11 ARG 4 -1.118 13.409 5.720
34 HH12 ARG 4 HH12 ARG 4 -2.277 14.575 5.176
35 HH21 ARG 4 HH21 ARG 4 -4.831 13.446 7.279
36 HH22 ARG 4 HH22 ARG 4 -4.389 14.596 6.062
37 H LEU 5 H LEU 5 -2.487 7.909 10.317
38 HA LEU 5 HA LEU 5 -5.389 8.383 10.466
39 HB2 LEU 5 HB2 LEU 5 -3.830 6.626 12.351
40 HB3 LEU 5 HB3 LEU 5 -5.575 6.862 12.304
41 HG LEU 5 HG LEU 5 -4.262 5.723 9.892
42 HD11 LEU 5 HD11 LEU 5 -3.174 4.332 11.399
43 HD12 LEU 5 HD12 LEU 5 -4.645 3.438 11.015
44 HD13 LEU 5 HD13 LEU 5 -4.528 4.333 12.531
45 HD21 LEU 5 HD21 LEU 5 -6.413 5.531 9.375
46 HD22 LEU 5 HD22 LEU 5 -6.904 6.010 11.000
47 HD23 LEU 5 HD23 LEU 5 -6.555 4.316 10.647
48 H CYS 6 H CYS 6 -5.888 10.151 11.566
49 HA CYS 6 HA CYS 6 -3.949 11.172 13.537
50 HB2 CYS 6 HB2 CYS 6 -5.781 12.612 11.627
51 HB3 CYS 6 HB3 CYS 6 -5.109 13.415 13.043
52 H TYR 7 H TYR 7 -4.602 11.240 15.580
53 HA TYR 7 HA TYR 7 -7.309 11.872 16.303
54 HB2 TYR 7 HB2 TYR 7 -7.102 9.299 15.746
55 HB3 TYR 7 HB3 TYR 7 -6.400 9.227 17.358
56 HD1 TYR 7 HD1 TYR 7 -7.870 8.612 19.014
57 HD2 TYR 7 HD2 TYR 7 -9.335 10.901 15.740
58 HE1 TYR 7 HE1 TYR 7 -10.124 8.565 19.997
59 HE2 TYR 7 HE2 TYR 7 -11.593 10.860 16.715
60 HH TYR 7 HH TYR 7 -12.807 9.073 18.471
61 H LYS 8 H LYS 8 -7.442 12.683 18.340
62 HA LYS 8 HA LYS 8 -6.694 13.675 20.251
63 HB2 LYS 8 HB2 LYS 8 -5.194 11.058 20.474
64 HB3 LYS 8 HB3 LYS 8 -5.434 12.199 21.791
65 HG2 LYS 8 HG2 LYS 8 -7.764 11.801 21.837
66 HG3 LYS 8 HG3 LYS 8 -7.713 10.922 20.307
67 HD2 LYS 8 HD2 LYS 8 -7.821 9.195 21.834
68 HD3 LYS 8 HD3 LYS 8 -6.079 9.344 21.590
69 HE2 LYS 8 HE2 LYS 8 -6.289 9.218 23.902
70 HE3 LYS 8 HE3 LYS 8 -6.151 10.949 23.599
71 HZ1 LYS 8 HZ1 LYS 8 -8.334 11.309 24.113
72 HZ2 LYS 8 HZ2 LYS 8 -8.001 10.021 25.158
73 HZ3 LYS 8 HZ3 LYS 8 -8.822 9.741 23.705
74 H GLN 9 H GLN 9 -5.294 14.461 17.962
75 HA GLN 9 HA GLN 9 -3.450 15.642 17.351
76 HB2 GLN 9 HB2 GLN 9 -2.530 15.441 20.214
77 HB3 GLN 9 HB3 GLN 9 -2.135 16.688 19.038
78 HG2 GLN 9 HG2 GLN 9 -4.734 17.070 19.059
79 HG3 GLN 9 HG3 GLN 9 -4.606 16.303 20.641
80 HE21 GLN 9 HE21 GLN 9 -4.372 19.171 18.937
81 HE22 GLN 9 HE22 GLN 9 -3.621 20.139 20.154
82 H ARG 10 H ARG 10 -3.428 12.784 17.164
83 HA ARG 10 HA ARG 10 -0.523 12.329 17.287
84 HB2 ARG 10 HB2 ARG 10 -1.831 11.069 19.059
85 HB3 ARG 10 HB3 ARG 10 -2.578 10.170 17.746
86 HG2 ARG 10 HG2 ARG 10 -0.901 8.731 18.109
87 HG3 ARG 10 HG3 ARG 10 0.031 9.863 17.126
88 HD2 ARG 10 HD2 ARG 10 0.511 11.055 19.364
89 HD3 ARG 10 HD3 ARG 10 -0.023 9.548 20.107
90 HE ARG 10 HE ARG 10 1.846 8.809 18.238
91 HH11 ARG 10 HH11 ARG 10 1.778 10.897 21.023
92 HH12 ARG 10 HH12 ARG 10 3.452 10.658 21.406
93 HH21 ARG 10 HH21 ARG 10 4.049 8.485 18.732
94 HH22 ARG 10 HH22 ARG 10 4.742 9.286 20.101
95 H CYS 11 H CYS 11 0.070 12.459 15.211
96 HA CYS 11 HA CYS 11 -1.520 10.976 13.220
97 HB2 CYS 11 HB2 CYS 11 0.238 13.413 12.891
98 HB3 CYS 11 HB3 CYS 11 -0.431 12.502 11.541
99 H VAL 12 H VAL 12 -0.595 9.315 12.204
100 HA VAL 12 HA VAL 12 2.313 9.150 12.016
101 HB VAL 12 HB VAL 12 2.202 6.722 12.745
102 HG11 VAL 12 HG11 VAL 12 3.235 8.428 14.123
103 HG12 VAL 12 HG12 VAL 12 1.664 8.871 14.792
104 HG13 VAL 12 HG13 VAL 12 2.354 7.284 15.135
105 HG21 VAL 12 HG21 VAL 12 -0.277 7.507 14.233
106 HG22 VAL 12 HG22 VAL 12 -0.378 6.789 12.626
107 HG23 VAL 12 HG23 VAL 12 0.386 5.899 13.943
108 H THR 13 H THR 13 3.061 7.722 10.397
109 HA THR 13 HA THR 13 0.994 6.997 8.430
110 HB THR 13 HB THR 13 3.707 6.962 7.396
111 HG1 THR 13 HG1 THR 13 4.395 8.763 8.252
112 HG21 THR 13 HG21 THR 13 1.262 8.587 6.680
113 HG22 THR 13 HG22 THR 13 1.686 7.011 6.013
114 HG23 THR 13 HG23 THR 13 2.709 8.409 5.690
115 H TYR 14 H TYR 14 0.497 4.905 8.703
116 HA TYR 14 HA TYR 14 2.639 2.982 9.244
117 HB2 TYR 14 HB2 TYR 14 -0.299 3.027 9.690
118 HB3 TYR 14 HB3 TYR 14 0.439 1.462 9.368
119 HD1 TYR 14 HD1 TYR 14 1.150 0.238 11.186
120 HD2 TYR 14 HD2 TYR 14 1.040 4.480 11.496
121 HE1 TYR 14 HE1 TYR 14 1.845 0.078 13.541
122 HE2 TYR 14 HE2 TYR 14 1.736 4.332 13.851
123 HH TYR 14 HH TYR 14 2.246 1.188 15.422
124 H CYS 15 H CYS 15 3.426 1.725 7.695
125 HA CYS 15 HA CYS 15 1.905 1.483 5.183
126 HB2 CYS 15 HB2 CYS 15 4.893 1.192 5.550
127 HB3 CYS 15 HB3 CYS 15 4.013 1.235 4.025
128 H ARG 16 H ARG 16 2.243 -0.544 3.974
129 HA ARG 16 HA ARG 16 1.566 -2.787 5.451
130 HB2 ARG 16 HB2 ARG 16 2.237 -4.078 3.380
131 HB3 ARG 16 HB3 ARG 16 1.076 -2.781 3.129
132 HG2 ARG 16 HG2 ARG 16 2.503 -1.559 1.880
133 HG3 ARG 16 HG3 ARG 16 3.919 -2.069 2.800
134 HD2 ARG 16 HD2 ARG 16 4.419 -3.494 1.172
135 HD3 ARG 16 HD3 ARG 16 2.927 -4.367 1.518
136 HE ARG 16 HE ARG 16 3.426 -2.587 -0.688
137 HH11 ARG 16 HH11 ARG 16 0.999 -4.070 1.318
138 HH12 ARG 16 HH12 ARG 16 -0.258 -3.918 0.137
139 HH21 ARG 16 HH21 ARG 16 1.779 -2.381 -2.252
140 HH22 ARG 16 HH22 ARG 16 0.188 -2.958 -1.896
141 H GLY 17 H GLY 17 2.686 -4.641 6.107
142 HA2 GLY 17 HA2 GLY 17 5.580 -4.713 5.875
143 HA3 GLY 17 HA3 GLY 17 4.966 -4.458 7.500
144 H ARG 18 H ARG 18 5.761 -6.745 5.149
145 HA ARG 18 HA ARG 18 4.485 -8.871 6.743
146 HB2 ARG 18 HB2 ARG 18 3.701 -8.414 4.278
147 HB3 ARG 18 HB3 ARG 18 5.174 -9.278 3.860
148 HG2 ARG 18 HG2 ARG 18 4.336 -11.127 5.391
149 HG3 ARG 18 HG3 ARG 18 2.785 -10.288 5.361
150 HD2 ARG 18 HD2 ARG 18 3.159 -10.356 2.765
151 HD3 ARG 18 HD3 ARG 18 4.228 -11.699 3.166
152 HE ARG 18 HE ARG 18 1.364 -11.694 3.233
153 HH11 ARG 18 HH11 ARG 18 4.232 -13.121 4.596
154 HH12 ARG 18 HH12 ARG 18 3.441 -14.595 5.050
155 HH21 ARG 18 HH21 ARG 18 0.313 -13.629 3.825
156 HH22 ARG 18 HH22 ARG 18 1.212 -14.882 4.610
157 HN1 NH2 19 H1 NH2 19 7.171 -8.219 4.491
158 HN2 NH2 19 H2 NH2 19 8.329 -9.242 5.217
Start of MODEL 19
1 H PCA 1 H PCA 1 1.330 -0.553 -0.063
2 HA PCA 1 HA PCA 1 1.103 1.672 -0.262
3 HB2 PCA 1 HB2 PCA 1 -1.538 2.306 0.356
4 HB3 PCA 1 HB3 PCA 1 -1.118 1.588 -1.209
5 HG2 PCA 1 HG2 PCA 1 -2.054 0.146 1.331
6 HG3 PCA 1 HG3 PCA 1 -2.605 -0.107 -0.342
7 H CYS 2 H CYS 2 0.039 3.445 1.233
8 HA CYS 2 HA CYS 2 0.663 2.711 4.019
9 HB2 CYS 2 HB2 CYS 2 1.324 5.291 2.581
10 HB3 CYS 2 HB3 CYS 2 1.602 4.987 4.292
11 H ARG 3 H ARG 3 -0.351 4.054 5.661
12 HA ARG 3 HA ARG 3 -2.743 5.497 4.778
13 HB2 ARG 3 HB2 ARG 3 -2.653 3.052 6.486
14 HB3 ARG 3 HB3 ARG 3 -3.835 4.294 6.873
15 HG2 ARG 3 HG2 ARG 3 -4.367 4.112 4.299
16 HG3 ARG 3 HG3 ARG 3 -3.662 2.508 4.509
17 HD2 ARG 3 HD2 ARG 3 -5.890 2.098 4.934
18 HD3 ARG 3 HD3 ARG 3 -5.261 2.375 6.557
19 HE ARG 3 HE ARG 3 -6.577 4.235 6.702
20 HH11 ARG 3 HH11 ARG 3 -6.263 3.337 3.353
21 HH12 ARG 3 HH12 ARG 3 -7.412 4.507 2.797
22 HH21 ARG 3 HH21 ARG 3 -8.093 5.780 5.980
23 HH22 ARG 3 HH22 ARG 3 -8.452 5.896 4.291
24 H ARG 4 H ARG 4 -3.316 7.206 6.056
25 HA ARG 4 HA ARG 4 -1.533 7.769 8.331
26 HB2 ARG 4 HB2 ARG 4 -1.204 9.390 6.599
27 HB3 ARG 4 HB3 ARG 4 -2.936 9.623 6.408
28 HG2 ARG 4 HG2 ARG 4 -3.102 10.963 8.242
29 HG3 ARG 4 HG3 ARG 4 -1.742 10.197 9.063
30 HD2 ARG 4 HD2 ARG 4 -0.475 11.905 8.419
31 HD3 ARG 4 HD3 ARG 4 -0.667 11.354 6.756
32 HE ARG 4 HE ARG 4 -1.956 13.611 8.001
33 HH11 ARG 4 HH11 ARG 4 -2.066 11.301 5.398
34 HH12 ARG 4 HH12 ARG 4 -3.039 12.305 4.375
35 HH21 ARG 4 HH21 ARG 4 -3.238 14.942 6.663
36 HH22 ARG 4 HH22 ARG 4 -3.705 14.376 5.095
37 H LEU 5 H LEU 5 -2.401 7.903 10.293
38 HA LEU 5 HA LEU 5 -5.311 8.310 10.511
39 HB2 LEU 5 HB2 LEU 5 -3.627 6.653 12.376
40 HB3 LEU 5 HB3 LEU 5 -5.383 6.803 12.365
41 HG LEU 5 HG LEU 5 -4.039 5.691 9.951
42 HD11 LEU 5 HD11 LEU 5 -4.737 3.539 11.654
43 HD12 LEU 5 HD12 LEU 5 -3.654 4.605 12.549
44 HD13 LEU 5 HD13 LEU 5 -3.154 3.949 10.991
45 HD21 LEU 5 HD21 LEU 5 -6.614 5.027 11.377
46 HD22 LEU 5 HD22 LEU 5 -6.090 4.406 9.811
47 HD23 LEU 5 HD23 LEU 5 -6.461 6.121 10.002
48 H CYS 6 H CYS 6 -5.863 10.070 11.600
49 HA CYS 6 HA CYS 6 -3.952 11.174 13.554
50 HB2 CYS 6 HB2 CYS 6 -5.779 12.560 11.601
51 HB3 CYS 6 HB3 CYS 6 -5.122 13.392 13.005
52 H TYR 7 H TYR 7 -4.641 11.356 15.583
53 HA TYR 7 HA TYR 7 -7.350 11.956 16.264
54 HB2 TYR 7 HB2 TYR 7 -7.139 9.369 15.720
55 HB3 TYR 7 HB3 TYR 7 -6.498 9.311 17.358
56 HD1 TYR 7 HD1 TYR 7 -8.016 8.803 19.007
57 HD2 TYR 7 HD2 TYR 7 -9.373 10.910 15.570
58 HE1 TYR 7 HE1 TYR 7 -10.305 8.783 19.906
59 HE2 TYR 7 HE2 TYR 7 -11.666 10.897 16.460
60 HH TYR 7 HH TYR 7 -13.032 9.893 18.013
61 H LYS 8 H LYS 8 -7.496 12.796 18.285
62 HA LYS 8 HA LYS 8 -6.763 13.788 20.201
63 HB2 LYS 8 HB2 LYS 8 -5.385 11.109 20.445
64 HB3 LYS 8 HB3 LYS 8 -5.498 12.281 21.751
65 HG2 LYS 8 HG2 LYS 8 -8.044 12.140 21.348
66 HG3 LYS 8 HG3 LYS 8 -7.660 10.645 20.491
67 HD2 LYS 8 HD2 LYS 8 -6.619 11.148 23.259
68 HD3 LYS 8 HD3 LYS 8 -8.249 10.519 23.002
69 HE2 LYS 8 HE2 LYS 8 -7.055 8.569 23.208
70 HE3 LYS 8 HE3 LYS 8 -7.019 8.801 21.461
71 HZ1 LYS 8 HZ1 LYS 8 -4.821 9.048 21.481
72 HZ2 LYS 8 HZ2 LYS 8 -4.853 8.428 23.053
73 HZ3 LYS 8 HZ3 LYS 8 -4.847 10.101 22.805
74 H GLN 9 H GLN 9 -5.306 14.528 17.937
75 HA GLN 9 HA GLN 9 -3.425 15.666 17.352
76 HB2 GLN 9 HB2 GLN 9 -2.563 15.459 20.234
77 HB3 GLN 9 HB3 GLN 9 -2.113 16.687 19.058
78 HG2 GLN 9 HG2 GLN 9 -4.783 16.296 20.377
79 HG3 GLN 9 HG3 GLN 9 -3.676 17.656 20.553
80 HE21 GLN 9 HE21 GLN 9 -3.733 19.291 19.104
81 HE22 GLN 9 HE22 GLN 9 -4.845 19.379 17.786
82 H ARG 10 H ARG 10 -3.462 12.808 17.178
83 HA ARG 10 HA ARG 10 -0.572 12.288 17.356
84 HB2 ARG 10 HB2 ARG 10 -1.866 11.059 19.119
85 HB3 ARG 10 HB3 ARG 10 -2.723 10.221 17.832
86 HG2 ARG 10 HG2 ARG 10 -0.838 9.030 17.179
87 HG3 ARG 10 HG3 ARG 10 0.265 10.154 17.977
88 HD2 ARG 10 HD2 ARG 10 0.294 8.785 19.727
89 HD3 ARG 10 HD3 ARG 10 -1.405 9.174 19.997
90 HE ARG 10 HE ARG 10 -0.330 6.743 18.885
91 HH11 ARG 10 HH11 ARG 10 -3.128 8.797 19.159
92 HH12 ARG 10 HH12 ARG 10 -4.256 7.524 18.829
93 HH21 ARG 10 HH21 ARG 10 -1.808 5.059 18.450
94 HH22 ARG 10 HH22 ARG 10 -3.504 5.399 18.428
95 H CYS 11 H CYS 11 0.002 12.479 15.265
96 HA CYS 11 HA CYS 11 -1.555 10.973 13.268
97 HB2 CYS 11 HB2 CYS 11 0.206 13.409 12.948
98 HB3 CYS 11 HB3 CYS 11 -0.460 12.500 11.596
99 H VAL 12 H VAL 12 -0.616 9.313 12.262
100 HA VAL 12 HA VAL 12 2.294 9.153 12.099
101 HB VAL 12 HB VAL 12 2.194 6.734 12.836
102 HG11 VAL 12 HG11 VAL 12 1.426 8.372 15.183
103 HG12 VAL 12 HG12 VAL 12 2.823 7.322 14.939
104 HG13 VAL 12 HG13 VAL 12 2.791 8.931 14.218
105 HG21 VAL 12 HG21 VAL 12 0.348 6.075 14.290
106 HG22 VAL 12 HG22 VAL 12 -0.461 7.610 13.974
107 HG23 VAL 12 HG23 VAL 12 -0.231 6.449 12.666
108 H THR 13 H THR 13 3.060 7.744 10.479
109 HA THR 13 HA THR 13 1.001 6.962 8.522
110 HB THR 13 HB THR 13 3.721 7.078 7.480
111 HG1 THR 13 HG1 THR 13 3.672 9.465 7.535
112 HG21 THR 13 HG21 THR 13 2.619 8.442 5.754
113 HG22 THR 13 HG22 THR 13 1.151 8.478 6.731
114 HG23 THR 13 HG23 THR 13 1.735 6.951 6.072
115 H TYR 14 H TYR 14 0.618 4.846 8.662
116 HA TYR 14 HA TYR 14 2.890 3.028 9.098
117 HB2 TYR 14 HB2 TYR 14 0.027 2.948 9.897
118 HB3 TYR 14 HB3 TYR 14 0.796 1.414 9.508
119 HD1 TYR 14 HD1 TYR 14 3.401 1.481 10.581
120 HD2 TYR 14 HD2 TYR 14 -0.117 3.270 12.172
121 HE1 TYR 14 HE1 TYR 14 4.384 1.398 12.834
122 HE2 TYR 14 HE2 TYR 14 0.857 3.193 14.428
123 HH TYR 14 HH TYR 14 3.855 1.523 15.081
124 H CYS 15 H CYS 15 3.513 1.731 7.502
125 HA CYS 15 HA CYS 15 1.729 1.437 5.176
126 HB2 CYS 15 HB2 CYS 15 4.738 1.157 5.194
127 HB3 CYS 15 HB3 CYS 15 3.681 1.230 3.787
128 H ARG 16 H ARG 16 1.642 -0.590 4.112
129 HA ARG 16 HA ARG 16 1.522 -2.815 5.818
130 HB2 ARG 16 HB2 ARG 16 1.400 -2.467 2.841
131 HB3 ARG 16 HB3 ARG 16 1.431 -4.080 3.542
132 HG2 ARG 16 HG2 ARG 16 -0.585 -1.985 4.309
133 HG3 ARG 16 HG3 ARG 16 -0.845 -3.166 3.023
134 HD2 ARG 16 HD2 ARG 16 -0.283 -4.931 4.793
135 HD3 ARG 16 HD3 ARG 16 -0.518 -3.638 5.970
136 HE ARG 16 HE ARG 16 -2.553 -5.013 4.475
137 HH11 ARG 16 HH11 ARG 16 -1.733 -2.102 6.197
138 HH12 ARG 16 HH12 ARG 16 -3.380 -1.692 6.549
139 HH21 ARG 16 HH21 ARG 16 -4.724 -4.484 4.931
140 HH22 ARG 16 HH22 ARG 16 -5.080 -3.047 5.829
141 H GLY 17 H GLY 17 2.927 -4.410 6.312
142 HA2 GLY 17 HA2 GLY 17 5.152 -5.179 4.774
143 HA3 GLY 17 HA3 GLY 17 5.688 -4.019 5.980
144 H ARG 18 H ARG 18 7.004 -5.820 6.755
145 HA ARG 18 HA ARG 18 5.863 -8.176 7.812
146 HB2 ARG 18 HB2 ARG 18 8.329 -7.659 7.250
147 HB3 ARG 18 HB3 ARG 18 8.397 -6.935 8.852
148 HG2 ARG 18 HG2 ARG 18 7.665 -9.094 9.813
149 HG3 ARG 18 HG3 ARG 18 7.736 -9.797 8.195
150 HD2 ARG 18 HD2 ARG 18 9.803 -10.374 9.020
151 HD3 ARG 18 HD3 ARG 18 10.173 -8.848 8.216
152 HE ARG 18 HE ARG 18 10.719 -7.980 10.251
153 HH11 ARG 18 HH11 ARG 18 8.681 -10.759 10.743
154 HH12 ARG 18 HH12 ARG 18 8.834 -10.729 12.469
155 HH21 ARG 18 HH21 ARG 18 10.929 -7.929 12.521
156 HH22 ARG 18 HH22 ARG 18 10.113 -9.118 13.479
157 HN1 NH2 19 H1 NH2 19 5.594 -8.787 10.028
158 HN2 NH2 19 H2 NH2 19 5.166 -7.667 11.243
Start of MODEL 20
1 H PCA 1 H PCA 1 1.334 -0.586 -0.117
2 HA PCA 1 HA PCA 1 0.932 1.618 -0.288
3 HB2 PCA 1 HB2 PCA 1 -1.749 2.034 0.338
4 HB3 PCA 1 HB3 PCA 1 -1.278 1.370 -1.235
5 HG2 PCA 1 HG2 PCA 1 -2.094 -0.174 1.285
6 HG3 PCA 1 HG3 PCA 1 -2.626 -0.446 -0.389
7 H CYS 2 H CYS 2 0.119 3.355 1.171
8 HA CYS 2 HA CYS 2 0.624 2.598 3.975
9 HB2 CYS 2 HB2 CYS 2 1.345 5.165 2.544
10 HB3 CYS 2 HB3 CYS 2 1.608 4.851 4.257
11 H ARG 3 H ARG 3 -0.324 4.062 5.598
12 HA ARG 3 HA ARG 3 -2.672 5.553 4.712
13 HB2 ARG 3 HB2 ARG 3 -2.733 3.135 6.499
14 HB3 ARG 3 HB3 ARG 3 -3.968 4.381 6.618
15 HG2 ARG 3 HG2 ARG 3 -4.089 3.974 4.000
16 HG3 ARG 3 HG3 ARG 3 -3.472 2.393 4.482
17 HD2 ARG 3 HD2 ARG 3 -5.832 2.214 4.472
18 HD3 ARG 3 HD3 ARG 3 -5.347 2.307 6.165
19 HE ARG 3 HE ARG 3 -6.455 4.306 6.340
20 HH11 ARG 3 HH11 ARG 3 -6.081 3.486 2.978
21 HH12 ARG 3 HH12 ARG 3 -7.113 4.760 2.418
22 HH21 ARG 3 HH21 ARG 3 -7.815 5.988 5.616
23 HH22 ARG 3 HH22 ARG 3 -8.097 6.184 3.918
24 H ARG 4 H ARG 4 -3.238 7.226 6.051
25 HA ARG 4 HA ARG 4 -1.507 7.633 8.402
26 HB2 ARG 4 HB2 ARG 4 -1.142 9.209 6.493
27 HB3 ARG 4 HB3 ARG 4 -2.798 9.764 6.693
28 HG2 ARG 4 HG2 ARG 4 -2.340 10.751 8.766
29 HG3 ARG 4 HG3 ARG 4 -0.821 9.869 8.943
30 HD2 ARG 4 HD2 ARG 4 -1.151 11.700 6.618
31 HD3 ARG 4 HD3 ARG 4 -0.865 12.402 8.210
32 HE ARG 4 HE ARG 4 1.059 10.487 7.959
33 HH11 ARG 4 HH11 ARG 4 0.078 13.244 6.074
34 HH12 ARG 4 HH12 ARG 4 1.667 13.548 5.453
35 HH21 ARG 4 HH21 ARG 4 3.156 10.877 7.148
36 HH22 ARG 4 HH22 ARG 4 3.416 12.201 6.064
37 H LEU 5 H LEU 5 -2.447 7.908 10.328
38 HA LEU 5 HA LEU 5 -5.339 8.464 10.399
39 HB2 LEU 5 HB2 LEU 5 -3.869 6.675 12.322
40 HB3 LEU 5 HB3 LEU 5 -5.608 6.945 12.226
41 HG LEU 5 HG LEU 5 -4.234 5.778 9.858
42 HD11 LEU 5 HD11 LEU 5 -3.443 4.021 10.952
43 HD12 LEU 5 HD12 LEU 5 -5.094 3.618 11.423
44 HD13 LEU 5 HD13 LEU 5 -4.096 4.618 12.478
45 HD21 LEU 5 HD21 LEU 5 -6.436 4.432 9.986
46 HD22 LEU 5 HD22 LEU 5 -6.500 6.124 9.494
47 HD23 LEU 5 HD23 LEU 5 -6.938 5.666 11.141
48 H CYS 6 H CYS 6 -5.912 10.149 11.608
49 HA CYS 6 HA CYS 6 -3.969 11.175 13.573
50 HB2 CYS 6 HB2 CYS 6 -5.793 12.635 11.672
51 HB3 CYS 6 HB3 CYS 6 -5.132 13.420 13.102
52 H TYR 7 H TYR 7 -4.636 11.214 15.612
53 HA TYR 7 HA TYR 7 -7.356 11.819 16.319
54 HB2 TYR 7 HB2 TYR 7 -7.104 9.246 15.755
55 HB3 TYR 7 HB3 TYR 7 -6.424 9.184 17.377
56 HD1 TYR 7 HD1 TYR 7 -7.885 8.663 19.076
57 HD2 TYR 7 HD2 TYR 7 -9.381 10.700 15.652
58 HE1 TYR 7 HE1 TYR 7 -10.153 8.582 20.025
59 HE2 TYR 7 HE2 TYR 7 -11.653 10.626 16.593
60 HH TYR 7 HH TYR 7 -12.405 8.765 19.432
61 H LYS 8 H LYS 8 -7.511 12.629 18.354
62 HA LYS 8 HA LYS 8 -6.788 13.624 20.273
63 HB2 LYS 8 HB2 LYS 8 -5.377 10.962 20.453
64 HB3 LYS 8 HB3 LYS 8 -5.408 12.128 21.770
65 HG2 LYS 8 HG2 LYS 8 -7.842 11.984 21.848
66 HG3 LYS 8 HG3 LYS 8 -7.819 10.825 20.517
67 HD2 LYS 8 HD2 LYS 8 -8.026 9.562 22.515
68 HD3 LYS 8 HD3 LYS 8 -6.359 9.365 21.966
69 HE2 LYS 8 HE2 LYS 8 -5.600 11.006 23.571
70 HE3 LYS 8 HE3 LYS 8 -7.260 11.338 24.063
71 HZ1 LYS 8 HZ1 LYS 8 -5.939 9.806 25.539
72 HZ2 LYS 8 HZ2 LYS 8 -6.045 8.650 24.310
73 HZ3 LYS 8 HZ3 LYS 8 -7.453 9.231 25.046
74 H GLN 9 H GLN 9 -5.376 14.427 17.998
75 HA GLN 9 HA GLN 9 -3.538 15.627 17.405
76 HB2 GLN 9 HB2 GLN 9 -2.654 15.425 20.281
77 HB3 GLN 9 HB3 GLN 9 -2.235 16.669 19.111
78 HG2 GLN 9 HG2 GLN 9 -4.610 17.369 19.077
79 HG3 GLN 9 HG3 GLN 9 -4.932 16.200 20.357
80 HE21 GLN 9 HE21 GLN 9 -5.327 19.023 20.474
81 HE22 GLN 9 HE22 GLN 9 -4.308 19.633 21.729
82 H ARG 10 H ARG 10 -3.490 12.770 17.211
83 HA ARG 10 HA ARG 10 -0.582 12.340 17.358
84 HB2 ARG 10 HB2 ARG 10 -1.873 11.063 19.118
85 HB3 ARG 10 HB3 ARG 10 -2.633 10.173 17.806
86 HG2 ARG 10 HG2 ARG 10 -0.957 8.727 18.165
87 HG3 ARG 10 HG3 ARG 10 -0.039 9.849 17.159
88 HD2 ARG 10 HD2 ARG 10 0.790 10.981 19.144
89 HD3 ARG 10 HD3 ARG 10 -0.177 9.925 20.171
90 HE ARG 10 HE ARG 10 1.489 8.335 18.578
91 HH11 ARG 10 HH11 ARG 10 1.703 10.628 21.189
92 HH12 ARG 10 HH12 ARG 10 3.148 9.939 21.850
93 HH21 ARG 10 HH21 ARG 10 3.393 7.418 19.440
94 HH22 ARG 10 HH22 ARG 10 4.109 8.113 20.853
95 H CYS 11 H CYS 11 0.035 12.466 15.289
96 HA CYS 11 HA CYS 11 -1.527 10.980 13.281
97 HB2 CYS 11 HB2 CYS 11 0.220 13.425 12.961
98 HB3 CYS 11 HB3 CYS 11 -0.454 12.518 11.612
99 H VAL 12 H VAL 12 -0.576 9.328 12.270
100 HA VAL 12 HA VAL 12 2.335 9.192 12.106
101 HB VAL 12 HB VAL 12 2.244 6.764 12.833
102 HG11 VAL 12 HG11 VAL 12 1.499 8.493 15.144
103 HG12 VAL 12 HG12 VAL 12 2.808 7.320 14.988
104 HG13 VAL 12 HG13 VAL 12 2.935 8.893 14.200
105 HG21 VAL 12 HG21 VAL 12 0.397 6.169 14.367
106 HG22 VAL 12 HG22 VAL 12 -0.431 7.655 13.905
107 HG23 VAL 12 HG23 VAL 12 -0.138 6.399 12.704
108 H THR 13 H THR 13 3.110 7.773 10.492
109 HA THR 13 HA THR 13 1.070 7.048 8.498
110 HB THR 13 HB THR 13 3.809 7.007 7.522
111 HG1 THR 13 HG1 THR 13 4.345 8.714 8.735
112 HG21 THR 13 HG21 THR 13 1.323 8.534 6.742
113 HG22 THR 13 HG22 THR 13 1.894 7.019 6.044
114 HG23 THR 13 HG23 THR 13 2.818 8.503 5.808
115 H TYR 14 H TYR 14 0.568 4.956 8.672
116 HA TYR 14 HA TYR 14 2.716 3.023 9.207
117 HB2 TYR 14 HB2 TYR 14 -0.193 3.095 9.814
118 HB3 TYR 14 HB3 TYR 14 0.514 1.521 9.464
119 HD1 TYR 14 HD1 TYR 14 2.873 1.162 10.747
120 HD2 TYR 14 HD2 TYR 14 -0.298 3.691 12.033
121 HE1 TYR 14 HE1 TYR 14 3.700 1.015 13.059
122 HE2 TYR 14 HE2 TYR 14 0.521 3.552 14.348
123 HH TYR 14 HH TYR 14 1.927 1.850 15.704
124 H CYS 15 H CYS 15 3.394 1.725 7.637
125 HA CYS 15 HA CYS 15 1.739 1.489 5.210
126 HB2 CYS 15 HB2 CYS 15 4.742 1.207 5.442
127 HB3 CYS 15 HB3 CYS 15 3.801 1.167 3.956
128 H ARG 16 H ARG 16 1.115 -0.474 4.551
129 HA ARG 16 HA ARG 16 1.292 -2.711 6.214
130 HB2 ARG 16 HB2 ARG 16 0.728 -2.632 3.244
131 HB3 ARG 16 HB3 ARG 16 0.372 -3.977 4.318
132 HG2 ARG 16 HG2 ARG 16 -1.021 -2.223 5.630
133 HG3 ARG 16 HG3 ARG 16 -0.958 -1.316 4.118
134 HD2 ARG 16 HD2 ARG 16 -1.770 -4.195 4.122
135 HD3 ARG 16 HD3 ARG 16 -2.934 -2.944 4.558
136 HE ARG 16 HE ARG 16 -1.626 -2.324 2.114
137 HH11 ARG 16 HH11 ARG 16 -4.097 -4.348 3.498
138 HH12 ARG 16 HH12 ARG 16 -4.993 -4.488 2.021
139 HH21 ARG 16 HH21 ARG 16 -2.795 -2.502 0.163
140 HH22 ARG 16 HH22 ARG 16 -4.251 -3.438 0.125
141 H GLY 17 H GLY 17 2.560 -4.536 6.223
142 HA2 GLY 17 HA2 GLY 17 5.025 -4.358 4.608
143 HA3 GLY 17 HA3 GLY 17 4.930 -5.090 6.203
144 H ARG 18 H ARG 18 4.707 -7.229 6.316
145 HA ARG 18 HA ARG 18 4.483 -8.737 3.863
146 HB2 ARG 18 HB2 ARG 18 4.796 -9.646 6.731
147 HB3 ARG 18 HB3 ARG 18 4.860 -10.702 5.326
148 HG2 ARG 18 HG2 ARG 18 6.718 -8.371 5.553
149 HG3 ARG 18 HG3 ARG 18 7.059 -9.885 6.394
150 HD2 ARG 18 HD2 ARG 18 7.395 -11.048 4.447
151 HD3 ARG 18 HD3 ARG 18 6.340 -9.993 3.509
152 HE ARG 18 HE ARG 18 8.534 -8.478 4.282
153 HH11 ARG 18 HH11 ARG 18 7.875 -11.277 2.321
154 HH12 ARG 18 HH12 ARG 18 9.206 -10.998 1.246
155 HH21 ARG 18 HH21 ARG 18 10.288 -8.100 2.875
156 HH22 ARG 18 HH22 ARG 18 10.577 -9.190 1.562
157 HN1 NH2 19 H1 NH2 19 2.445 -8.730 3.064
158 HN2 NH2 19 H2 NH2 19 1.041 -9.285 3.863