NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
11916 |
1s8k   |
6109 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA PCA 1 HA PCA 1 -3.188 8.144 10.680
2 1HB PCA 1 3HB PCA 1 -5.205 7.658 11.739
3 2HB PCA 1 2HB PCA 1 -5.409 6.542 10.358
4 1HG PCA 1 2HG PCA 1 -6.855 8.093 9.252
5 2HG PCA 1 3HG PCA 1 -7.192 8.585 10.940
6 H THR 2 H THR 2 -1.799 8.316 8.777
7 HA THR 2 HA THR 2 -2.771 6.955 6.322
8 HB THR 2 HB THR 2 -0.863 8.396 5.345
9 HG1 THR 2 1HG THR 2 -0.472 10.292 6.524
10 1HG2 THR 2 1HG2 THR 2 -2.400 10.324 5.019
11 2HG2 THR 2 2HG2 THR 2 -3.267 8.787 4.855
12 3HG2 THR 2 3HG2 THR 2 -3.423 9.737 6.348
13 H GLN 3 H GLN 3 -2.118 4.903 6.803
14 HA GLN 3 HA GLN 3 0.311 4.104 8.031
15 2HB GLN 3 2HB GLN 3 0.039 1.992 6.754
16 2HG GLN 3 2HG GLN 3 -2.683 2.961 7.822
17 1HE2 GLN 3 1HE2 GLN 3 -3.482 1.345 9.242
18 2HE2 GLN 3 2HE2 GLN 3 -3.544 -0.218 8.507
19 H CYS 4 H CYS 4 -0.257 5.374 4.780
20 HA CYS 4 HA CYS 4 2.609 5.077 4.089
21 2HB CYS 4 2HB CYS 4 1.585 3.229 2.943
22 H GLN 5 H GLN 5 3.209 6.450 2.400
23 HA GLN 5 HA GLN 5 1.671 9.005 2.178
24 2HB GLN 5 2HB GLN 5 3.806 9.933 1.417
25 2HG GLN 5 2HG GLN 5 4.142 8.369 4.022
26 1HE2 GLN 5 1HE2 GLN 5 4.753 11.354 4.905
27 2HE2 GLN 5 2HE2 GLN 5 6.454 11.483 4.509
28 H SER 6 H SER 6 3.207 6.234 0.437
29 HA SER 6 HA SER 6 1.753 6.889 -2.031
30 2HB SER 6 2HB SER 6 3.772 7.255 -3.387
31 HG SER 6 HG SER 6 2.839 9.003 -1.735
32 H VAL 7 H VAL 7 2.263 5.172 -3.749
33 HA VAL 7 HA VAL 7 2.017 2.664 -2.775
34 HB VAL 7 HB VAL 7 1.599 3.585 -5.073
35 1HG1 VAL 7 1HG1 VAL 7 3.316 3.499 -6.782
36 2HG1 VAL 7 2HG1 VAL 7 3.839 4.605 -5.503
37 3HG1 VAL 7 3HG1 VAL 7 4.538 2.974 -5.616
38 1HG2 VAL 7 1HG2 VAL 7 3.082 0.956 -4.949
39 2HG2 VAL 7 2HG2 VAL 7 1.373 1.248 -4.535
40 3HG2 VAL 7 3HG2 VAL 7 1.933 1.479 -6.206
41 H ARG 8 H ARG 8 5.119 4.285 -3.435
42 HA ARG 8 HA ARG 8 7.173 2.635 -3.060
43 2HB ARG 8 2HB ARG 8 6.363 5.230 -1.699
44 2HG ARG 8 2HG ARG 8 9.128 5.238 -2.055
45 2HD ARG 8 2HD ARG 8 9.208 5.273 0.466
46 HE ARG 8 HE ARG 8 8.018 7.152 -1.143
47 1HH1 ARG 8 2HH2 ARG 8 7.121 6.177 2.208
48 2HH1 ARG 8 1HH2 ARG 8 7.010 7.840 2.713
49 1HH2 ARG 8 1HH1 ARG 8 7.490 9.300 -0.389
50 2HH2 ARG 8 2HH1 ARG 8 7.058 9.485 1.303
51 H ASP 9 H ASP 9 5.035 3.739 -0.370
52 HA ASP 9 HA ASP 9 6.424 2.456 1.752
53 2HB ASP 9 2HB ASP 9 4.100 3.067 2.829
54 H CYS 10 H CYS 10 3.596 1.572 -0.297
55 HA CYS 10 HA CYS 10 3.343 -0.953 1.114
56 2HB CYS 10 2HB CYS 10 2.300 -1.059 -1.502
57 H GLN 11 H GLN 11 5.198 0.143 -1.703
58 HA GLN 11 HA GLN 11 5.645 -2.432 -2.817
59 2HB GLN 11 2HB GLN 11 7.741 -1.357 -3.790
60 2HG GLN 11 2HG GLN 11 4.984 -0.119 -4.098
61 1HE2 GLN 11 1HE2 GLN 11 5.029 0.027 -6.886
62 2HE2 GLN 11 2HE2 GLN 11 6.158 1.289 -7.348
63 H GLN 12 H GLN 12 7.461 -0.732 -0.144
64 HA GLN 12 HA GLN 12 9.238 -2.955 0.199
65 2HB GLN 12 2HB GLN 12 9.939 -0.779 0.801
66 2HG GLN 12 2HG GLN 12 7.636 -0.831 2.754
67 1HE2 GLN 12 1HE2 GLN 12 9.893 1.710 1.567
68 2HE2 GLN 12 2HE2 GLN 12 10.448 2.175 3.171
69 H TYR 13 H TYR 13 6.017 -2.083 1.503
70 HA TYR 13 HA TYR 13 5.993 -4.060 3.546
71 2HB TYR 13 2HB TYR 13 3.600 -3.006 2.016
72 HD1 TYR 13 1HD TYR 13 4.900 -3.395 5.550
73 HD2 TYR 13 2HD TYR 13 1.565 -3.761 2.845
74 HE1 TYR 13 1HE TYR 13 3.475 -4.218 7.404
75 HE2 TYR 13 2HE TYR 13 0.146 -4.563 4.689
76 HH TYR 13 HH TYR 13 0.035 -5.059 6.937
77 H CYS 14 H CYS 14 5.098 -4.249 0.174
78 HA CYS 14 HA CYS 14 4.158 -7.083 0.309
79 2HB CYS 14 2HB CYS 14 2.268 -6.129 -1.297
80 H LEU 15 H LEU 15 4.719 -8.235 -1.515
81 HA LEU 15 HA LEU 15 6.552 -7.132 -3.403
82 2HB LEU 15 2HB LEU 15 5.951 -9.274 -4.712
83 HG LEU 15 HG LEU 15 6.977 -10.849 -3.188
84 1HD1 LEU 15 1HD1 LEU 15 8.377 -9.272 -4.516
85 2HD1 LEU 15 2HD1 LEU 15 8.483 -8.203 -3.099
86 3HD1 LEU 15 3HD1 LEU 15 9.153 -9.838 -3.028
87 1HD2 LEU 15 1HD2 LEU 15 7.717 -10.314 -0.966
88 2HD2 LEU 15 2HD2 LEU 15 7.079 -8.668 -1.070
89 3HD2 LEU 15 3HD2 LEU 15 5.967 -10.061 -1.046
90 H THR 16 H THR 16 3.016 -7.649 -3.572
91 HA THR 16 HA THR 16 2.975 -5.951 -6.042
92 HB THR 16 HB THR 16 1.202 -8.378 -5.615
93 HG1 THR 16 1HG THR 16 3.466 -8.882 -5.948
94 1HG2 THR 16 1HG2 THR 16 1.829 -6.630 -8.042
95 2HG2 THR 16 2HG2 THR 16 0.745 -8.038 -8.021
96 3HG2 THR 16 3HG2 THR 16 0.319 -6.574 -7.111
97 HA PRO 17 HA PRO 17 0.198 -4.296 -2.960
98 2HB PRO 17 2HB PRO 17 1.098 -2.535 -2.099
99 2HG PRO 17 2HG PRO 17 3.414 -2.332 -2.743
100 2HD PRO 17 2HD PRO 17 2.852 -4.424 -2.780
101 H ASP 18 H ASP 18 -1.734 -2.848 -3.311
102 HA ASP 18 HA ASP 18 -2.677 -2.861 -6.117
103 2HB ASP 18 2HB ASP 18 -4.357 -2.227 -3.671
104 H ARG 19 H ARG 19 -2.943 -0.758 -3.146
105 HA ARG 19 HA ARG 19 -1.775 1.491 -4.614
106 2HB ARG 19 2HB ARG 19 -3.901 2.124 -5.296
107 2HG ARG 19 2HG ARG 19 -5.073 0.855 -2.812
108 2HD ARG 19 2HD ARG 19 -6.648 1.340 -5.323
109 HE ARG 19 HE ARG 19 -7.389 0.962 -2.624
110 1HH1 ARG 19 2HH2 ARG 19 -8.244 2.860 -5.441
111 2HH1 ARG 19 1HH2 ARG 19 -9.856 3.259 -4.933
112 1HH2 ARG 19 1HH1 ARG 19 -9.547 1.652 -1.765
113 2HH2 ARG 19 2HH1 ARG 19 -10.610 2.472 -2.848
114 H CYS 20 H CYS 20 -1.132 3.087 -3.286
115 HA CYS 20 HA CYS 20 -1.535 2.884 -0.331
116 2HB CYS 20 2HB CYS 20 -0.055 4.963 -1.961
117 H SER 21 H SER 21 -3.702 3.404 0.099
118 HA SER 21 HA SER 21 -4.873 5.834 -0.955
119 2HB SER 21 2HB SER 21 -6.822 4.260 -1.814
120 HG SER 21 HG SER 21 -4.424 5.003 -3.086
121 H TYR 22 H TYR 22 -6.953 6.201 0.157
122 HA TYR 22 HA TYR 22 -8.132 6.306 2.108
123 2HB TYR 22 2HB TYR 22 -7.996 3.360 2.151
124 HD1 TYR 22 1HD TYR 22 -10.749 5.845 1.628
125 HD2 TYR 22 2HD TYR 22 -9.057 2.863 4.245
126 HE1 TYR 22 1HE TYR 22 -12.781 5.927 3.033
127 HE2 TYR 22 2HE TYR 22 -11.099 2.946 5.649
128 HH TYR 22 HH TYR 22 -13.855 5.094 4.898
129 H GLY 23 H GLY 23 -5.260 6.493 2.437
130 1HA GLY 23 2HA GLY 23 -3.606 6.469 3.995
131 2HA GLY 23 3HA GLY 23 -4.913 6.534 5.191
132 H THR 24 H THR 24 -4.521 3.735 3.020
133 HA THR 24 HA THR 24 -3.178 2.082 5.057
134 HB THR 24 HB THR 24 -6.080 1.835 4.214
135 HG1 THR 24 1HG THR 24 -5.146 2.972 6.199
136 1HG2 THR 24 1HG2 THR 24 -5.154 -0.419 3.951
137 2HG2 THR 24 2HG2 THR 24 -4.319 -0.291 5.514
138 3HG2 THR 24 3HG2 THR 24 -6.093 -0.335 5.451
139 H CYS 25 H CYS 25 -1.676 0.957 3.880
140 HA CYS 25 HA CYS 25 -1.909 1.199 1.019
141 2HB CYS 25 2HB CYS 25 0.217 1.368 2.478
142 H TYR 26 H TYR 26 -3.239 0.063 -0.063
143 HA TYR 26 HA TYR 26 -4.371 -2.504 0.689
144 2HB TYR 26 2HB TYR 26 -5.296 -2.211 -1.704
145 HD1 TYR 26 1HD TYR 26 -5.232 1.252 -0.429
146 HD2 TYR 26 2HD TYR 26 -7.266 -2.546 -0.362
147 HE1 TYR 26 1HE TYR 26 -7.402 2.402 -0.071
148 HE2 TYR 26 2HE TYR 26 -9.397 -1.404 0.116
149 HH TYR 26 HH TYR 26 -10.456 0.705 0.306
150 H CYS 27 H CYS 27 -3.575 -4.535 0.017
151 HA CYS 27 HA CYS 27 -1.542 -4.514 -2.096
152 2HB CYS 27 2HB CYS 27 -0.464 -6.424 -1.202
153 H LYS 28 H LYS 28 -1.621 -5.992 -3.805
154 HA LYS 28 HA LYS 28 -4.344 -6.345 -4.512
155 2HB LYS 28 2HB LYS 28 -1.885 -7.322 -6.017
156 2HG LYS 28 2HG LYS 28 -4.509 -6.005 -6.830
157 2HD LYS 28 2HD LYS 28 -3.819 -6.673 -9.162
158 2HE LYS 28 2HE LYS 28 -2.010 -5.049 -9.585
159 1HZ LYS 28 1HZ LYS 28 -4.170 -4.083 -9.170
160 2HZ LYS 28 2HZ LYS 28 -3.928 -4.036 -7.565
161 3HZ LYS 28 3HZ LYS 28 -3.009 -3.107 -8.533
162 H THR 29 H THR 29 -1.762 -8.537 -3.475
163 HA THR 29 HA THR 29 -3.734 -10.615 -2.910
164 HB THR 29 HB THR 29 -1.414 -11.286 -4.780
165 HG1 THR 29 1HG THR 29 -4.025 -10.475 -5.274
166 1HG2 THR 29 1HG2 THR 29 -3.855 -12.883 -3.865
167 2HG2 THR 29 2HG2 THR 29 -2.630 -13.422 -5.030
168 3HG2 THR 29 3HG2 THR 29 -2.177 -13.160 -3.337
169 H THR 30 H THR 30 -3.129 -10.128 -0.738
170 HA THR 30 HA THR 30 -0.792 -11.574 0.159
171 HB THR 30 HB THR 30 -1.040 -8.636 0.947
172 HG1 THR 30 1HG THR 30 0.300 -9.832 -1.193
173 1HG2 THR 30 1HG2 THR 30 0.173 -10.029 2.575
174 2HG2 THR 30 2HG2 THR 30 1.212 -10.668 1.278
175 3HG2 THR 30 3HG2 THR 30 1.291 -8.956 1.726
176 1HN NH2 31 H NH2 31 -1.099 -12.125 2.453
177 2HN NH2 31 2HN NH2 31 -2.660 -11.850 3.201
Start of MODEL 2
1 HA PCA 1 HA PCA 1 0.020 9.284 5.275
2 1HB PCA 1 3HB PCA 1 2.114 10.083 6.039
3 2HB PCA 1 2HB PCA 1 1.740 9.000 7.413
4 1HG PCA 1 2HG PCA 1 0.980 10.842 8.734
5 2HG PCA 1 3HG PCA 1 2.179 11.709 7.730
6 H THR 2 H THR 2 -0.341 7.181 6.242
7 HA THR 2 HA THR 2 -1.502 7.029 8.961
8 HB THR 2 HB THR 2 -3.025 5.959 6.610
9 HG1 THR 2 1HG THR 2 -3.077 8.425 7.813
10 1HG2 THR 2 1HG2 THR 2 -3.807 6.371 9.551
11 2HG2 THR 2 2HG2 THR 2 -4.855 5.701 8.292
12 3HG2 THR 2 3HG2 THR 2 -3.449 4.785 8.844
13 H GLN 3 H GLN 3 -2.173 4.215 7.305
14 HA GLN 3 HA GLN 3 0.086 2.784 8.406
15 2HB GLN 3 2HB GLN 3 -0.573 0.975 6.873
16 2HG GLN 3 2HG GLN 3 -3.086 2.210 8.157
17 1HE2 GLN 3 1HE2 GLN 3 -4.227 0.675 9.302
18 2HE2 GLN 3 2HE2 GLN 3 -4.371 -0.872 8.546
19 H CYS 4 H CYS 4 -0.483 4.590 5.450
20 HA CYS 4 HA CYS 4 2.336 4.287 4.631
21 2HB CYS 4 2HB CYS 4 1.264 2.793 3.173
22 H GLN 5 H GLN 5 3.153 6.092 3.671
23 HA GLN 5 HA GLN 5 1.744 8.663 3.796
24 2HB GLN 5 2HB GLN 5 4.296 8.061 2.301
25 2HG GLN 5 2HG GLN 5 3.519 10.399 4.101
26 1HE2 GLN 5 1HE2 GLN 5 6.060 9.452 4.265
27 2HE2 GLN 5 2HE2 GLN 5 7.136 10.450 3.299
28 H SER 6 H SER 6 2.606 6.244 1.328
29 HA SER 6 HA SER 6 0.653 7.020 -0.610
30 2HB SER 6 2HB SER 6 2.481 7.654 -2.362
31 HG SER 6 HG SER 6 1.571 9.325 -0.291
32 H VAL 7 H VAL 7 1.271 5.640 -2.758
33 HA VAL 7 HA VAL 7 1.398 3.031 -2.080
34 HB VAL 7 HB VAL 7 0.694 4.138 -4.223
35 1HG1 VAL 7 1HG1 VAL 7 2.799 5.418 -4.694
36 2HG1 VAL 7 2HG1 VAL 7 3.619 3.880 -5.053
37 3HG1 VAL 7 3HG1 VAL 7 2.255 4.411 -6.045
38 1HG2 VAL 7 1HG2 VAL 7 0.747 1.749 -3.915
39 2HG2 VAL 7 2HG2 VAL 7 1.161 2.188 -5.586
40 3HG2 VAL 7 3HG2 VAL 7 2.444 1.679 -4.458
41 H ARG 8 H ARG 8 4.207 5.095 -2.799
42 HA ARG 8 HA ARG 8 6.284 3.332 -2.897
43 2HB ARG 8 2HB ARG 8 6.332 5.912 -1.284
44 2HG ARG 8 2HG ARG 8 8.267 4.599 -3.224
45 2HD ARG 8 2HD ARG 8 8.628 6.972 -1.329
46 HE ARG 8 HE ARG 8 10.807 6.406 -1.623
47 1HH1 ARG 8 2HH2 ARG 8 9.166 6.035 -4.711
48 2HH1 ARG 8 1HH2 ARG 8 10.608 5.868 -5.663
49 1HH2 ARG 8 1HH1 ARG 8 12.766 6.152 -2.834
50 2HH2 ARG 8 2HH1 ARG 8 12.711 5.912 -4.548
51 H ASP 9 H ASP 9 4.493 4.331 0.043
52 HA ASP 9 HA ASP 9 6.340 3.098 1.876
53 2HB ASP 9 2HB ASP 9 3.655 3.051 2.934
54 H CYS 10 H CYS 10 3.311 2.065 0.216
55 HA CYS 10 HA CYS 10 3.434 -0.523 1.462
56 2HB CYS 10 2HB CYS 10 2.372 -0.642 -1.153
57 H GLN 11 H GLN 11 5.034 0.852 -1.415
58 HA GLN 11 HA GLN 11 5.857 -1.608 -2.531
59 2HB GLN 11 2HB GLN 11 7.788 -0.403 -3.498
60 2HG GLN 11 2HG GLN 11 5.110 1.029 -3.732
61 1HE2 GLN 11 1HE2 GLN 11 7.734 -0.174 -5.906
62 2HE2 GLN 11 2HE2 GLN 11 7.932 1.359 -6.737
63 H GLN 12 H GLN 12 7.358 0.127 0.327
64 HA GLN 12 HA GLN 12 9.423 -1.880 0.520
65 2HB GLN 12 2HB GLN 12 10.006 0.267 1.216
66 2HG GLN 12 2HG GLN 12 7.655 0.112 3.091
67 1HE2 GLN 12 1HE2 GLN 12 7.490 2.774 4.057
68 2HE2 GLN 12 2HE2 GLN 12 8.991 3.116 4.867
69 H TYR 13 H TYR 13 6.122 -1.480 1.669
70 HA TYR 13 HA TYR 13 6.259 -3.467 3.744
71 2HB TYR 13 2HB TYR 13 3.728 -2.690 2.302
72 HD1 TYR 13 1HD TYR 13 2.843 -4.760 3.528
73 HD2 TYR 13 2HD TYR 13 4.433 -1.311 5.570
74 HE1 TYR 13 1HE TYR 13 1.613 -5.403 5.582
75 HE2 TYR 13 2HE TYR 13 3.202 -1.950 7.612
76 HH TYR 13 HH TYR 13 1.768 -3.467 8.581
77 H CYS 14 H CYS 14 5.518 -3.621 0.303
78 HA CYS 14 HA CYS 14 4.815 -6.516 0.318
79 2HB CYS 14 2HB CYS 14 2.896 -5.664 -1.325
80 H LEU 15 H LEU 15 5.533 -7.502 -1.557
81 HA LEU 15 HA LEU 15 7.274 -6.111 -3.343
82 2HB LEU 15 2HB LEU 15 6.883 -8.224 -4.788
83 HG LEU 15 HG LEU 15 8.062 -9.771 -3.331
84 1HD1 LEU 15 1HD1 LEU 15 9.294 -8.034 -4.616
85 2HD1 LEU 15 2HD1 LEU 15 9.309 -6.997 -3.172
86 3HD1 LEU 15 3HD1 LEU 15 10.137 -8.560 -3.149
87 1HD2 LEU 15 1HD2 LEU 15 7.014 -9.160 -1.151
88 2HD2 LEU 15 2HD2 LEU 15 8.783 -9.236 -1.098
89 3HD2 LEU 15 3HD2 LEU 15 7.982 -7.662 -1.140
90 H THR 16 H THR 16 3.807 -6.959 -3.597
91 HA THR 16 HA THR 16 3.622 -5.137 -5.967
92 HB THR 16 HB THR 16 2.130 -7.770 -5.744
93 HG1 THR 16 1HG THR 16 4.419 -8.048 -5.993
94 1HG2 THR 16 1HG2 THR 16 1.147 -5.945 -7.177
95 2HG2 THR 16 2HG2 THR 16 2.679 -5.862 -8.067
96 3HG2 THR 16 3HG2 THR 16 1.700 -7.343 -8.126
97 HA PRO 17 HA PRO 17 0.608 -3.968 -2.845
98 2HB PRO 17 2HB PRO 17 1.337 -2.202 -1.878
99 2HG PRO 17 2HG PRO 17 3.609 -1.713 -2.465
100 2HD PRO 17 2HD PRO 17 3.312 -3.828 -2.660
101 H ASP 18 H ASP 18 -1.421 -2.690 -3.151
102 HA ASP 18 HA ASP 18 -2.394 -2.669 -5.952
103 2HB ASP 18 2HB ASP 18 -4.041 -2.485 -3.413
104 H ARG 19 H ARG 19 -2.926 -0.845 -2.815
105 HA ARG 19 HA ARG 19 -2.168 1.661 -4.126
106 2HB ARG 19 2HB ARG 19 -4.415 1.849 -4.766
107 2HG ARG 19 2HG ARG 19 -5.243 0.495 -2.195
108 2HD ARG 19 2HD ARG 19 -6.874 0.755 -4.738
109 HE ARG 19 HE ARG 19 -7.599 -0.020 -2.095
110 1HH1 ARG 19 2HH2 ARG 19 -8.759 1.724 -4.907
111 2HH1 ARG 19 1HH2 ARG 19 -10.449 1.616 -4.526
112 1HH2 ARG 19 1HH1 ARG 19 -9.927 0.039 -1.382
113 2HH2 ARG 19 2HH1 ARG 19 -11.098 0.510 -2.559
114 H CYS 20 H CYS 20 -1.833 3.273 -2.655
115 HA CYS 20 HA CYS 20 -2.136 2.717 0.268
116 2HB CYS 20 2HB CYS 20 -0.875 5.083 -1.138
117 H SER 21 H SER 21 -4.323 3.014 0.740
118 HA SER 21 HA SER 21 -5.782 5.342 -0.262
119 2HB SER 21 2HB SER 21 -7.486 3.574 -1.218
120 HG SER 21 HG SER 21 -5.156 4.634 -2.363
121 H TYR 22 H TYR 22 -7.686 5.661 0.975
122 HA TYR 22 HA TYR 22 -8.700 5.748 3.012
123 2HB TYR 22 2HB TYR 22 -9.715 3.673 3.840
124 HD1 TYR 22 1HD TYR 22 -9.138 2.787 0.277
125 HD2 TYR 22 2HD TYR 22 -11.700 4.822 3.082
126 HE1 TYR 22 1HE TYR 22 -10.896 2.989 -1.465
127 HE2 TYR 22 2HE TYR 22 -13.472 4.961 1.364
128 HH TYR 22 HH TYR 22 -14.075 4.460 -0.811
129 H GLY 23 H GLY 23 -5.959 6.025 3.147
130 1HA GLY 23 2HA GLY 23 -4.161 5.987 4.529
131 2HA GLY 23 3HA GLY 23 -5.328 5.742 5.839
132 H THR 24 H THR 24 -5.120 3.298 3.354
133 HA THR 24 HA THR 24 -3.756 1.389 5.176
134 HB THR 24 HB THR 24 -6.141 0.982 3.316
135 HG1 THR 24 1HG THR 24 -6.681 2.161 5.185
136 1HG2 THR 24 1HG2 THR 24 -4.791 -1.081 3.565
137 2HG2 THR 24 2HG2 THR 24 -4.897 -0.924 5.335
138 3HG2 THR 24 3HG2 THR 24 -6.359 -1.208 4.377
139 H CYS 25 H CYS 25 -2.173 0.133 4.135
140 HA CYS 25 HA CYS 25 -1.697 0.745 1.261
141 2HB CYS 25 2HB CYS 25 0.076 0.848 3.291
142 H TYR 26 H TYR 26 -3.244 -0.342 0.319
143 HA TYR 26 HA TYR 26 -4.075 -3.090 0.838
144 2HB TYR 26 2HB TYR 26 -4.988 -2.722 -1.552
145 HD1 TYR 26 1HD TYR 26 -7.118 -3.270 -1.044
146 HD2 TYR 26 2HD TYR 26 -5.401 0.340 0.578
147 HE1 TYR 26 1HE TYR 26 -9.371 -2.437 -0.506
148 HE2 TYR 26 2HE TYR 26 -7.666 1.103 1.224
149 HH TYR 26 HH TYR 26 -9.996 0.640 1.065
150 H CYS 27 H CYS 27 -3.161 -4.960 -0.146
151 HA CYS 27 HA CYS 27 -1.211 -4.535 -2.292
152 2HB CYS 27 2HB CYS 27 0.218 -6.243 -1.484
153 H LYS 28 H LYS 28 -0.964 -6.190 -3.872
154 HA LYS 28 HA LYS 28 -3.579 -7.344 -4.541
155 2HB LYS 28 2HB LYS 28 -2.478 -8.025 -6.604
156 2HG LYS 28 2HG LYS 28 -1.649 -5.172 -5.940
157 2HD LYS 28 2HD LYS 28 -2.665 -6.429 -8.541
158 2HE LYS 28 2HE LYS 28 -1.607 -4.389 -9.559
159 1HZ LYS 28 1HZ LYS 28 -3.241 -2.781 -8.769
160 2HZ LYS 28 2HZ LYS 28 -3.954 -4.240 -9.043
161 3HZ LYS 28 3HZ LYS 28 -3.656 -3.740 -7.526
162 H THR 29 H THR 29 -3.346 -8.498 -2.393
163 HA THR 29 HA THR 29 -2.588 -11.301 -2.925
164 HB THR 29 HB THR 29 -1.515 -9.905 -0.436
165 HG1 THR 29 1HG THR 29 -0.441 -10.130 -3.011
166 1HG2 THR 29 1HG2 THR 29 -1.727 -12.390 -0.315
167 2HG2 THR 29 2HG2 THR 29 -0.779 -12.536 -1.812
168 3HG2 THR 29 3HG2 THR 29 -0.032 -11.875 -0.343
169 H THR 30 H THR 30 -5.055 -10.430 -3.006
170 HA THR 30 HA THR 30 -6.415 -10.080 -0.568
171 HB THR 30 HB THR 30 -7.612 -10.967 -3.221
172 HG1 THR 30 1HG THR 30 -6.600 -8.407 -2.551
173 1HG2 THR 30 1HG2 THR 30 -9.201 -10.534 -1.356
174 2HG2 THR 30 2HG2 THR 30 -8.499 -8.917 -1.129
175 3HG2 THR 30 3HG2 THR 30 -9.350 -9.317 -2.635
176 1HN NH2 31 H NH2 31 -5.231 -12.167 0.359
177 2HN NH2 31 2HN NH2 31 -6.223 -13.624 0.328
Start of MODEL 3
1 HA PCA 1 HA PCA 1 -1.287 8.501 12.032
2 1HB PCA 1 3HB PCA 1 -2.343 10.375 12.976
3 2HB PCA 1 2HB PCA 1 -3.728 9.776 12.025
4 1HG PCA 1 2HG PCA 1 -3.287 11.378 10.287
5 2HG PCA 1 3HG PCA 1 -2.687 12.307 11.695
6 H THR 2 H THR 2 -0.598 7.361 9.799
7 HA THR 2 HA THR 2 -2.871 6.348 8.430
8 HB THR 2 HB THR 2 -1.765 6.930 6.197
9 HG1 THR 2 1HG THR 2 -0.460 8.850 7.836
10 1HG2 THR 2 1HG2 THR 2 -2.752 9.448 7.583
11 2HG2 THR 2 2HG2 THR 2 -2.831 9.029 5.869
12 3HG2 THR 2 3HG2 THR 2 -3.831 8.147 7.045
13 H GLN 3 H GLN 3 -2.022 4.539 7.237
14 HA GLN 3 HA GLN 3 0.286 3.159 8.407
15 2HB GLN 3 2HB GLN 3 -0.082 1.537 6.552
16 2HG GLN 3 2HG GLN 3 -2.756 2.208 7.929
17 1HE2 GLN 3 1HE2 GLN 3 -3.465 0.202 8.895
18 2HE2 GLN 3 2HE2 GLN 3 -3.600 -1.056 7.719
19 H CYS 4 H CYS 4 -0.428 5.031 5.469
20 HA CYS 4 HA CYS 4 2.417 5.055 4.636
21 2HB CYS 4 2HB CYS 4 1.434 3.169 3.460
22 H GLN 5 H GLN 5 2.797 6.546 2.994
23 HA GLN 5 HA GLN 5 0.921 8.883 2.862
24 2HB GLN 5 2HB GLN 5 2.911 10.223 2.409
25 2HG GLN 5 2HG GLN 5 3.348 8.520 4.911
26 1HE2 GLN 5 1HE2 GLN 5 3.198 12.004 3.908
27 2HE2 GLN 5 2HE2 GLN 5 4.734 12.411 4.656
28 H SER 6 H SER 6 2.734 6.391 1.046
29 HA SER 6 HA SER 6 1.362 7.146 -1.436
30 2HB SER 6 2HB SER 6 3.688 7.337 -2.590
31 HG SER 6 HG SER 6 2.441 9.287 -1.015
32 H VAL 7 H VAL 7 1.718 5.425 -3.097
33 HA VAL 7 HA VAL 7 1.557 2.954 -2.062
34 HB VAL 7 HB VAL 7 0.911 3.787 -4.319
35 1HG1 VAL 7 1HG1 VAL 7 3.810 3.279 -5.132
36 2HG1 VAL 7 2HG1 VAL 7 2.466 3.742 -6.186
37 3HG1 VAL 7 3HG1 VAL 7 3.064 4.886 -4.973
38 1HG2 VAL 7 1HG2 VAL 7 1.191 1.683 -5.449
39 2HG2 VAL 7 2HG2 VAL 7 2.529 1.233 -4.361
40 3HG2 VAL 7 3HG2 VAL 7 0.879 1.431 -3.716
41 H ARG 8 H ARG 8 4.589 4.565 -2.886
42 HA ARG 8 HA ARG 8 6.473 2.528 -2.819
43 2HB ARG 8 2HB ARG 8 7.991 4.196 -1.768
44 2HG ARG 8 2HG ARG 8 6.305 5.366 -4.025
45 2HD ARG 8 2HD ARG 8 9.237 5.640 -3.213
46 HE ARG 8 HE ARG 8 9.456 6.037 -5.432
47 1HH1 ARG 8 2HH2 ARG 8 6.593 7.738 -4.296
48 2HH1 ARG 8 1HH2 ARG 8 6.373 8.691 -5.731
49 1HH2 ARG 8 1HH1 ARG 8 9.204 7.264 -7.370
50 2HH2 ARG 8 2HH1 ARG 8 7.900 8.392 -7.533
51 H ASP 9 H ASP 9 4.789 3.992 0.029
52 HA ASP 9 HA ASP 9 6.226 2.709 2.095
53 2HB ASP 9 2HB ASP 9 3.915 3.170 3.225
54 H CYS 10 H CYS 10 3.287 1.787 0.191
55 HA CYS 10 HA CYS 10 3.192 -0.785 1.476
56 2HB CYS 10 2HB CYS 10 2.156 -0.860 -1.162
57 H GLN 11 H GLN 11 4.916 0.382 -1.412
58 HA GLN 11 HA GLN 11 5.596 -2.197 -2.404
59 2HB GLN 11 2HB GLN 11 7.573 -1.147 -3.427
60 2HG GLN 11 2HG GLN 11 4.968 0.411 -3.706
61 1HE2 GLN 11 1HE2 GLN 11 7.684 -0.811 -5.764
62 2HE2 GLN 11 2HE2 GLN 11 7.894 0.708 -6.616
63 H GLN 12 H GLN 12 7.161 -0.289 0.302
64 HA GLN 12 HA GLN 12 9.162 -2.298 0.664
65 2HB GLN 12 2HB GLN 12 8.987 0.240 1.343
66 2HG GLN 12 2HG GLN 12 7.203 -0.629 3.240
67 1HE2 GLN 12 1HE2 GLN 12 8.872 -2.774 3.932
68 2HE2 GLN 12 2HE2 GLN 12 9.604 -2.437 5.485
69 H TYR 13 H TYR 13 5.819 -1.925 1.682
70 HA TYR 13 HA TYR 13 5.930 -3.876 3.811
71 2HB TYR 13 2HB TYR 13 3.410 -3.007 2.399
72 HD1 TYR 13 1HD TYR 13 4.533 -1.920 5.738
73 HD2 TYR 13 2HD TYR 13 2.198 -4.820 3.571
74 HE1 TYR 13 1HE TYR 13 3.370 -2.545 7.828
75 HE2 TYR 13 2HE TYR 13 1.028 -5.444 5.664
76 HH TYR 13 HH TYR 13 1.766 -3.889 8.795
77 H CYS 14 H CYS 14 5.151 -4.037 0.383
78 HA CYS 14 HA CYS 14 4.314 -6.899 0.470
79 2HB CYS 14 2HB CYS 14 2.415 -5.988 -1.162
80 H LEU 15 H LEU 15 4.916 -7.998 -1.360
81 HA LEU 15 HA LEU 15 6.656 -6.828 -3.298
82 2HB LEU 15 2HB LEU 15 6.006 -8.954 -4.624
83 HG LEU 15 HG LEU 15 7.139 -10.543 -3.186
84 1HD1 LEU 15 1HD1 LEU 15 8.615 -7.878 -3.164
85 2HD1 LEU 15 2HD1 LEU 15 9.310 -9.504 -3.149
86 3HD1 LEU 15 3HD1 LEU 15 8.435 -8.937 -4.581
87 1HD2 LEU 15 1HD2 LEU 15 6.257 -9.792 -0.976
88 2HD2 LEU 15 2HD2 LEU 15 8.014 -10.015 -1.007
89 3HD2 LEU 15 3HD2 LEU 15 7.343 -8.380 -1.054
90 H THR 16 H THR 16 3.120 -7.477 -3.345
91 HA THR 16 HA THR 16 2.957 -5.870 -5.869
92 HB THR 16 HB THR 16 1.246 -8.281 -5.197
93 HG1 THR 16 1HG THR 16 2.679 -9.391 -6.601
94 1HG2 THR 16 1HG2 THR 16 0.839 -8.219 -7.632
95 2HG2 THR 16 2HG2 THR 16 0.465 -6.627 -6.935
96 3HG2 THR 16 3HG2 THR 16 1.988 -6.871 -7.808
97 HA PRO 17 HA PRO 17 0.218 -4.240 -2.734
98 2HB PRO 17 2HB PRO 17 1.053 -2.442 -1.799
99 2HG PRO 17 2HG PRO 17 3.336 -2.256 -2.356
100 2HD PRO 17 2HD PRO 17 2.882 -4.337 -2.612
101 H ASP 18 H ASP 18 -1.551 -2.409 -2.985
102 HA ASP 18 HA ASP 18 -2.512 -2.293 -5.783
103 2HB ASP 18 2HB ASP 18 -4.334 -1.894 -3.442
104 H ARG 19 H ARG 19 -2.752 -0.435 -2.716
105 HA ARG 19 HA ARG 19 -1.628 1.909 -4.072
106 2HB ARG 19 2HB ARG 19 -3.706 2.658 -4.759
107 2HG ARG 19 2HG ARG 19 -5.030 0.886 -2.679
108 2HD ARG 19 2HD ARG 19 -6.169 2.224 -5.175
109 HE ARG 19 HE ARG 19 -6.514 -0.241 -4.784
110 1HH1 ARG 19 2HH2 ARG 19 -8.863 1.897 -3.250
111 2HH1 ARG 19 1HH2 ARG 19 -9.899 0.572 -2.799
112 1HH2 ARG 19 1HH1 ARG 19 -7.720 -1.779 -4.439
113 2HH2 ARG 19 2HH1 ARG 19 -9.289 -1.686 -3.622
114 H CYS 20 H CYS 20 -1.146 3.504 -2.594
115 HA CYS 20 HA CYS 20 -1.773 3.061 0.280
116 2HB CYS 20 2HB CYS 20 -0.398 5.373 -1.112
117 H SER 21 H SER 21 -3.988 3.351 0.592
118 HA SER 21 HA SER 21 -5.327 5.655 -0.582
119 2HB SER 21 2HB SER 21 -7.128 3.909 -1.400
120 HG SER 21 HG SER 21 -4.792 4.896 -2.599
121 H TYR 22 H TYR 22 -7.164 6.232 0.566
122 HA TYR 22 HA TYR 22 -8.136 6.650 2.574
123 2HB TYR 22 2HB TYR 22 -9.328 4.810 3.650
124 HD1 TYR 22 1HD TYR 22 -11.198 6.014 2.683
125 HD2 TYR 22 2HD TYR 22 -8.825 3.338 0.276
126 HE1 TYR 22 1HE TYR 22 -12.962 6.006 0.954
127 HE2 TYR 22 2HE TYR 22 -10.601 3.331 -1.457
128 HH TYR 22 HH TYR 22 -13.632 5.173 -1.096
129 H GLY 23 H GLY 23 -5.376 6.722 2.681
130 1HA GLY 23 2HA GLY 23 -3.580 6.725 4.092
131 2HA GLY 23 3HA GLY 23 -4.768 6.696 5.407
132 H THR 24 H THR 24 -4.779 3.988 3.210
133 HA THR 24 HA THR 24 -3.523 2.203 5.226
134 HB THR 24 HB THR 24 -5.944 1.758 3.421
135 HG1 THR 24 1HG THR 24 -6.392 3.187 5.137
136 1HG2 THR 24 1HG2 THR 24 -4.895 0.025 5.682
137 2HG2 THR 24 2HG2 THR 24 -6.318 -0.276 4.678
138 3HG2 THR 24 3HG2 THR 24 -4.702 -0.346 3.953
139 H CYS 25 H CYS 25 -2.050 0.693 4.258
140 HA CYS 25 HA CYS 25 -1.543 1.128 1.353
141 2HB CYS 25 2HB CYS 25 0.269 0.972 3.365
142 H TYR 26 H TYR 26 -3.200 0.230 0.382
143 HA TYR 26 HA TYR 26 -4.373 -2.383 0.989
144 2HB TYR 26 2HB TYR 26 -5.086 -2.106 -1.457
145 HD1 TYR 26 1HD TYR 26 -5.406 0.881 0.843
146 HD2 TYR 26 2HD TYR 26 -7.335 -2.284 -1.366
147 HE1 TYR 26 1HE TYR 26 -7.618 1.665 1.622
148 HE2 TYR 26 2HE TYR 26 -9.544 -1.415 -0.675
149 HH TYR 26 HH TYR 26 -9.917 1.400 1.477
150 H CYS 27 H CYS 27 -3.430 -4.354 0.358
151 HA CYS 27 HA CYS 27 -1.556 -4.239 -1.893
152 2HB CYS 27 2HB CYS 27 -0.340 -6.095 -1.141
153 H LYS 28 H LYS 28 -1.624 -5.991 -3.416
154 HA LYS 28 HA LYS 28 -4.110 -7.603 -3.195
155 2HB LYS 28 2HB LYS 28 -4.585 -6.160 -4.939
156 2HG LYS 28 2HG LYS 28 -1.896 -6.891 -6.175
157 2HD LYS 28 2HD LYS 28 -4.406 -5.501 -7.230
158 2HE LYS 28 2HE LYS 28 -3.133 -4.940 -9.250
159 1HZ LYS 28 1HZ LYS 28 -3.343 -3.389 -7.320
160 2HZ LYS 28 2HZ LYS 28 -1.765 -3.736 -6.941
161 3HZ LYS 28 3HZ LYS 28 -2.130 -3.035 -8.382
162 H THR 29 H THR 29 -1.333 -7.978 -2.149
163 HA THR 29 HA THR 29 -0.014 -9.982 -3.697
164 HB THR 29 HB THR 29 0.172 -9.516 -0.693
165 HG1 THR 29 1HG THR 29 1.419 -7.822 -1.073
166 1HG2 THR 29 1HG2 THR 29 2.254 -10.313 -2.786
167 2HG2 THR 29 2HG2 THR 29 2.545 -10.102 -1.046
168 3HG2 THR 29 3HG2 THR 29 1.504 -11.418 -1.612
169 H THR 30 H THR 30 -2.160 -11.167 -4.155
170 HA THR 30 HA THR 30 -2.226 -13.567 -2.535
171 HB THR 30 HB THR 30 -3.712 -12.142 -1.187
172 HG1 THR 30 1HG THR 30 -5.424 -13.559 -1.174
173 1HG2 THR 30 1HG2 THR 30 -5.446 -11.894 -3.691
174 2HG2 THR 30 2HG2 THR 30 -5.852 -11.320 -2.065
175 3HG2 THR 30 3HG2 THR 30 -4.513 -10.577 -2.950
176 1HN NH2 31 H NH2 31 -4.494 -14.702 -3.536
177 2HN NH2 31 2HN NH2 31 -4.359 -14.851 -5.295
Start of MODEL 4
1 HA PCA 1 HA PCA 1 -0.574 10.645 10.820
2 1HB PCA 1 3HB PCA 1 1.673 10.460 11.502
3 2HB PCA 1 2HB PCA 1 1.931 10.189 9.757
4 1HG PCA 1 2HG PCA 1 2.014 7.812 10.082
5 2HG PCA 1 3HG PCA 1 2.695 8.350 11.649
6 H THR 2 H THR 2 -2.019 8.199 9.837
7 HA THR 2 HA THR 2 -2.944 7.428 7.926
8 HB THR 2 HB THR 2 -0.726 8.439 6.129
9 HG1 THR 2 1HG THR 2 -1.407 10.257 7.113
10 1HG2 THR 2 1HG2 THR 2 -3.708 7.978 5.707
11 2HG2 THR 2 2HG2 THR 2 -2.522 8.435 4.468
12 3HG2 THR 2 3HG2 THR 2 -2.420 6.839 5.230
13 H GLN 3 H GLN 3 -2.591 5.315 7.217
14 HA GLN 3 HA GLN 3 -0.494 3.809 8.380
15 2HB GLN 3 2HB GLN 3 -1.229 1.997 6.885
16 2HG GLN 3 2HG GLN 3 -3.716 3.505 7.909
17 1HE2 GLN 3 1HE2 GLN 3 -5.068 2.175 9.052
18 2HE2 GLN 3 2HE2 GLN 3 -5.258 0.571 8.433
19 H CYS 4 H CYS 4 -0.697 5.454 5.241
20 HA CYS 4 HA CYS 4 2.132 4.920 4.684
21 2HB CYS 4 2HB CYS 4 1.164 3.098 3.493
22 H GLN 5 H GLN 5 2.904 6.296 3.050
23 HA GLN 5 HA GLN 5 1.568 8.957 2.816
24 2HB GLN 5 2HB GLN 5 4.334 8.053 1.973
25 2HG GLN 5 2HG GLN 5 3.547 10.804 2.929
26 1HE2 GLN 5 1HE2 GLN 5 5.653 11.596 3.226
27 2HE2 GLN 5 2HE2 GLN 5 6.952 11.380 2.073
28 H SER 6 H SER 6 2.889 6.109 1.068
29 HA SER 6 HA SER 6 1.382 6.734 -1.376
30 2HB SER 6 2HB SER 6 3.314 7.141 -2.785
31 HG SER 6 HG SER 6 2.582 8.886 -1.070
32 H VAL 7 H VAL 7 2.030 5.002 -3.141
33 HA VAL 7 HA VAL 7 1.842 2.504 -2.120
34 HB VAL 7 HB VAL 7 1.372 3.326 -4.408
35 1HG1 VAL 7 1HG1 VAL 7 4.356 3.034 -4.947
36 2HG1 VAL 7 2HG1 VAL 7 3.091 3.396 -6.127
37 3HG1 VAL 7 3HG1 VAL 7 3.478 4.574 -4.864
38 1HG2 VAL 7 1HG2 VAL 7 3.117 0.861 -4.324
39 2HG2 VAL 7 2HG2 VAL 7 1.398 0.972 -3.860
40 3HG2 VAL 7 3HG2 VAL 7 1.885 1.270 -5.544
41 H ARG 8 H ARG 8 4.848 4.283 -2.686
42 HA ARG 8 HA ARG 8 6.908 2.508 -2.331
43 2HB ARG 8 2HB ARG 8 7.924 4.358 -0.857
44 2HG ARG 8 2HG ARG 8 6.815 5.091 -3.604
45 2HD ARG 8 2HD ARG 8 9.096 6.397 -3.530
46 HE ARG 8 HE ARG 8 7.360 7.811 -3.879
47 1HH1 ARG 8 2HH2 ARG 8 7.479 7.117 -0.371
48 2HH1 ARG 8 1HH2 ARG 8 6.385 8.438 -0.004
49 1HH2 ARG 8 1HH1 ARG 8 5.827 9.439 -3.299
50 2HH2 ARG 8 2HH1 ARG 8 5.102 9.307 -1.721
51 H ASP 9 H ASP 9 4.720 3.666 0.319
52 HA ASP 9 HA ASP 9 6.103 2.447 2.493
53 2HB ASP 9 2HB ASP 9 3.700 2.891 3.467
54 H CYS 10 H CYS 10 3.210 1.508 0.550
55 HA CYS 10 HA CYS 10 3.048 -1.026 1.849
56 2HB CYS 10 2HB CYS 10 2.136 -1.196 -0.819
57 H GLN 11 H GLN 11 4.969 0.012 -0.966
58 HA GLN 11 HA GLN 11 5.579 -2.595 -1.918
59 2HB GLN 11 2HB GLN 11 7.716 -1.526 -2.764
60 2HG GLN 11 2HG GLN 11 5.048 -0.188 -3.345
61 1HE2 GLN 11 1HE2 GLN 11 7.961 -1.195 -5.225
62 2HE2 GLN 11 2HE2 GLN 11 8.185 0.375 -5.977
63 H GLN 12 H GLN 12 6.715 -0.935 0.977
64 HA GLN 12 HA GLN 12 8.886 -2.876 1.466
65 2HB GLN 12 2HB GLN 12 8.973 -1.697 3.676
66 2HG GLN 12 2HG GLN 12 9.186 -0.189 1.046
67 1HE2 GLN 12 1HE2 GLN 12 8.065 1.746 1.515
68 2HE2 GLN 12 2HE2 GLN 12 8.660 2.866 2.738
69 H TYR 13 H TYR 13 5.546 -2.196 2.542
70 HA TYR 13 HA TYR 13 5.422 -4.220 4.530
71 2HB TYR 13 2HB TYR 13 3.151 -3.113 2.842
72 HD1 TYR 13 1HD TYR 13 1.057 -3.996 3.361
73 HD2 TYR 13 2HD TYR 13 4.074 -3.878 6.437
74 HE1 TYR 13 1HE TYR 13 -0.480 -5.157 4.912
75 HE2 TYR 13 2HE TYR 13 2.543 -5.050 7.981
76 HH TYR 13 HH TYR 13 0.470 -6.019 8.248
77 H CYS 14 H CYS 14 4.691 -4.328 1.121
78 HA CYS 14 HA CYS 14 3.879 -7.190 1.153
79 2HB CYS 14 2HB CYS 14 2.139 -6.289 -0.679
80 H LEU 15 H LEU 15 4.603 -8.338 -0.615
81 HA LEU 15 HA LEU 15 6.612 -7.274 -2.302
82 2HB LEU 15 2HB LEU 15 4.920 -9.689 -3.029
83 HG LEU 15 HG LEU 15 6.958 -10.768 -3.594
84 1HD1 LEU 15 1HD1 LEU 15 7.789 -9.554 -5.471
85 2HD1 LEU 15 2HD1 LEU 15 6.065 -9.170 -5.326
86 3HD1 LEU 15 3HD1 LEU 15 7.299 -7.999 -4.793
87 1HD2 LEU 15 1HD2 LEU 15 9.181 -9.845 -3.343
88 2HD2 LEU 15 2HD2 LEU 15 8.547 -8.346 -2.651
89 3HD2 LEU 15 3HD2 LEU 15 8.372 -9.877 -1.768
90 H THR 16 H THR 16 3.092 -7.890 -2.848
91 HA THR 16 HA THR 16 3.214 -6.102 -5.255
92 HB THR 16 HB THR 16 1.475 -8.573 -4.950
93 HG1 THR 16 1HG THR 16 3.752 -9.005 -5.182
94 1HG2 THR 16 1HG2 THR 16 0.591 -6.778 -6.460
95 2HG2 THR 16 2HG2 THR 16 2.140 -6.769 -7.326
96 3HG2 THR 16 3HG2 THR 16 1.108 -8.213 -7.368
97 HA PRO 17 HA PRO 17 0.180 -4.449 -2.449
98 2HB PRO 17 2HB PRO 17 1.012 -2.690 -1.519
99 2HG PRO 17 2HG PRO 17 3.350 -2.432 -2.011
100 2HD PRO 17 2HD PRO 17 2.852 -4.528 -2.048
101 H ASP 18 H ASP 18 -1.683 -2.934 -2.980
102 HA ASP 18 HA ASP 18 -2.465 -3.041 -5.837
103 2HB ASP 18 2HB ASP 18 -4.099 -2.433 -3.357
104 H ARG 19 H ARG 19 -2.897 -0.861 -2.941
105 HA ARG 19 HA ARG 19 -1.672 1.385 -4.354
106 2HB ARG 19 2HB ARG 19 -3.775 1.939 -5.193
107 2HG ARG 19 2HG ARG 19 -5.087 0.731 -2.737
108 2HD ARG 19 2HD ARG 19 -6.457 1.104 -5.394
109 HE ARG 19 HE ARG 19 -7.435 0.776 -2.762
110 1HH1 ARG 19 2HH2 ARG 19 -8.092 2.475 -5.750
111 2HH1 ARG 19 1HH2 ARG 19 -9.765 2.808 -5.430
112 1HH2 ARG 19 1HH1 ARG 19 -9.696 1.445 -2.141
113 2HH2 ARG 19 2HH1 ARG 19 -10.692 2.096 -3.391
114 H CYS 20 H CYS 20 -1.302 3.107 -2.957
115 HA CYS 20 HA CYS 20 -1.932 2.797 -0.047
116 2HB CYS 20 2HB CYS 20 -0.254 4.861 -1.478
117 H SER 21 H SER 21 -4.096 3.395 0.212
118 HA SER 21 HA SER 21 -5.186 5.763 -1.077
119 2HB SER 21 2HB SER 21 -6.978 4.111 -2.102
120 HG SER 21 HG SER 21 -4.456 4.872 -3.087
121 H TYR 22 H TYR 22 -7.302 6.231 -0.263
122 HA TYR 22 HA TYR 22 -8.755 6.455 1.480
123 2HB TYR 22 2HB TYR 22 -8.846 3.523 1.680
124 HD1 TYR 22 1HD TYR 22 -10.283 3.384 3.615
125 HD2 TYR 22 2HD TYR 22 -11.288 5.993 0.329
126 HE1 TYR 22 1HE TYR 22 -12.555 3.698 4.551
127 HE2 TYR 22 2HE TYR 22 -13.557 6.297 1.264
128 HH TYR 22 HH TYR 22 -15.020 5.740 2.961
129 H GLY 23 H GLY 23 -6.044 6.628 2.239
130 1HA GLY 23 2HA GLY 23 -4.613 6.572 3.987
131 2HA GLY 23 3HA GLY 23 -6.046 6.560 5.032
132 H THR 24 H THR 24 -4.983 3.991 2.714
133 HA THR 24 HA THR 24 -3.976 2.270 4.865
134 HB THR 24 HB THR 24 -6.505 1.787 3.248
135 HG1 THR 24 1HG THR 24 -6.225 2.736 5.559
136 1HG2 THR 24 1HG2 THR 24 -4.915 -0.287 4.823
137 2HG2 THR 24 2HG2 THR 24 -6.571 -0.493 4.226
138 3HG2 THR 24 3HG2 THR 24 -5.241 -0.316 3.075
139 H CYS 25 H CYS 25 -2.623 0.611 4.018
140 HA CYS 25 HA CYS 25 -1.919 0.980 1.149
141 2HB CYS 25 2HB CYS 25 -0.211 1.100 3.198
142 H TYR 26 H TYR 26 -3.382 -0.052 0.096
143 HA TYR 26 HA TYR 26 -4.644 -2.592 0.801
144 2HB TYR 26 2HB TYR 26 -5.291 -2.369 -1.668
145 HD1 TYR 26 1HD TYR 26 -7.483 -2.147 -2.008
146 HD2 TYR 26 2HD TYR 26 -5.496 0.591 0.680
147 HE1 TYR 26 1HE TYR 26 -9.595 -0.939 -1.666
148 HE2 TYR 26 2HE TYR 26 -7.636 1.722 1.091
149 HH TYR 26 HH TYR 26 -9.872 1.936 0.365
150 H CYS 27 H CYS 27 -3.819 -4.652 0.148
151 HA CYS 27 HA CYS 27 -1.641 -4.598 -1.796
152 2HB CYS 27 2HB CYS 27 -0.612 -6.510 -0.906
153 H LYS 28 H LYS 28 -1.480 -6.150 -3.442
154 HA LYS 28 HA LYS 28 -4.160 -6.296 -4.541
155 2HB LYS 28 2HB LYS 28 -1.936 -7.384 -6.185
156 2HG LYS 28 2HG LYS 28 -3.750 -4.953 -6.400
157 2HD LYS 28 2HD LYS 28 -1.987 -6.262 -8.518
158 2HE LYS 28 2HE LYS 28 -4.013 -4.989 -9.346
159 1HZ LYS 28 1HZ LYS 28 -2.590 -2.669 -8.164
160 2HZ LYS 28 2HZ LYS 28 -3.860 -2.576 -9.205
161 3HZ LYS 28 3HZ LYS 28 -4.061 -3.207 -7.723
162 H THR 29 H THR 29 -1.511 -8.665 -4.202
163 HA THR 29 HA THR 29 -3.390 -10.738 -3.378
164 HB THR 29 HB THR 29 -3.608 -10.730 -5.857
165 HG1 THR 29 1HG THR 29 -3.916 -12.640 -4.721
166 1HG2 THR 29 1HG2 THR 29 -1.819 -11.536 -7.281
167 2HG2 THR 29 2HG2 THR 29 -1.300 -10.045 -6.475
168 3HG2 THR 29 3HG2 THR 29 -0.696 -11.623 -5.917
169 H THR 30 H THR 30 -1.202 -9.290 -2.191
170 HA THR 30 HA THR 30 1.052 -11.179 -2.032
171 HB THR 30 HB THR 30 0.451 -8.758 -0.293
172 HG1 THR 30 1HG THR 30 0.743 -8.133 -2.481
173 1HG2 THR 30 1HG2 THR 30 2.818 -8.878 0.221
174 2HG2 THR 30 2HG2 THR 30 2.108 -10.431 0.624
175 3HG2 THR 30 3HG2 THR 30 3.051 -10.260 -0.872
176 1HN NH2 31 H NH2 31 -0.574 -12.959 -1.626
177 2HN NH2 31 2HN NH2 31 -1.028 -13.264 0.052
Start of MODEL 5
1 HA PCA 1 HA PCA 1 1.144 8.945 6.060
2 1HB PCA 1 3HB PCA 1 2.178 10.978 6.520
3 2HB PCA 1 2HB PCA 1 1.395 10.768 8.110
4 1HG PCA 1 2HG PCA 1 -0.372 12.264 7.496
5 2HG PCA 1 3HG PCA 1 0.933 12.958 6.486
6 H THR 2 H THR 2 -0.722 7.478 6.176
7 HA THR 2 HA THR 2 -1.964 7.501 8.918
8 HB THR 2 HB THR 2 -3.124 6.117 6.491
9 HG1 THR 2 1HG THR 2 -3.085 8.514 6.471
10 1HG2 THR 2 1HG2 THR 2 -3.838 5.236 8.765
11 2HG2 THR 2 2HG2 THR 2 -4.276 6.892 9.228
12 3HG2 THR 2 3HG2 THR 2 -5.162 6.069 7.938
13 H GLN 3 H GLN 3 -2.352 4.547 7.482
14 HA GLN 3 HA GLN 3 -0.179 3.137 8.683
15 2HB GLN 3 2HB GLN 3 -0.534 1.477 6.864
16 2HG GLN 3 2HG GLN 3 -3.285 2.379 7.913
17 1HE2 GLN 3 1HE2 GLN 3 -4.261 0.499 8.847
18 2HE2 GLN 3 2HE2 GLN 3 -4.347 -0.805 7.719
19 H CYS 4 H CYS 4 -0.530 4.864 5.612
20 HA CYS 4 HA CYS 4 2.377 4.833 5.063
21 2HB CYS 4 2HB CYS 4 1.524 3.037 3.714
22 H GLN 5 H GLN 5 2.883 6.398 3.420
23 HA GLN 5 HA GLN 5 1.092 8.793 3.315
24 2HB GLN 5 2HB GLN 5 3.979 8.752 2.465
25 2HG GLN 5 2HG GLN 5 2.249 10.797 3.937
26 1HE2 GLN 5 1HE2 GLN 5 3.001 13.107 3.124
27 2HE2 GLN 5 2HE2 GLN 5 4.743 13.328 3.174
28 H SER 6 H SER 6 2.936 6.331 1.462
29 HA SER 6 HA SER 6 1.227 6.812 -0.851
30 2HB SER 6 2HB SER 6 2.592 8.375 -1.695
31 HG SER 6 HG SER 6 4.247 7.940 0.145
32 H VAL 7 H VAL 7 1.987 5.408 -2.698
33 HA VAL 7 HA VAL 7 1.709 2.796 -1.849
34 HB VAL 7 HB VAL 7 1.233 3.822 -4.098
35 1HG1 VAL 7 1HG1 VAL 7 2.928 3.886 -5.829
36 2HG1 VAL 7 2HG1 VAL 7 3.446 4.928 -4.495
37 3HG1 VAL 7 3HG1 VAL 7 4.178 3.323 -4.712
38 1HG2 VAL 7 1HG2 VAL 7 1.618 1.787 -5.337
39 2HG2 VAL 7 2HG2 VAL 7 2.812 1.249 -4.124
40 3HG2 VAL 7 3HG2 VAL 7 1.101 1.461 -3.666
41 H ARG 8 H ARG 8 4.687 4.570 -2.372
42 HA ARG 8 HA ARG 8 6.629 2.572 -2.340
43 2HB ARG 8 2HB ARG 8 8.088 4.369 -1.348
44 2HG ARG 8 2HG ARG 8 6.279 5.027 -3.723
45 2HD ARG 8 2HD ARG 8 8.925 6.281 -2.903
46 HE ARG 8 HE ARG 8 7.886 5.957 -5.458
47 1HH1 ARG 8 2HH2 ARG 8 8.700 8.689 -3.396
48 2HH1 ARG 8 1HH2 ARG 8 9.024 9.798 -4.691
49 1HH2 ARG 8 1HH1 ARG 8 8.310 7.388 -7.225
50 2HH2 ARG 8 2HH1 ARG 8 8.804 9.023 -6.935
51 H ASP 9 H ASP 9 4.870 3.976 0.509
52 HA ASP 9 HA ASP 9 6.378 2.737 2.574
53 2HB ASP 9 2HB ASP 9 3.987 3.051 3.672
54 H CYS 10 H CYS 10 3.455 1.771 0.671
55 HA CYS 10 HA CYS 10 3.379 -0.802 1.950
56 2HB CYS 10 2HB CYS 10 2.352 -0.881 -0.677
57 H GLN 11 H GLN 11 5.140 0.399 -0.918
58 HA GLN 11 HA GLN 11 5.760 -2.155 -1.992
59 2HB GLN 11 2HB GLN 11 7.802 -1.097 -2.941
60 2HG GLN 11 2HG GLN 11 5.191 0.424 -3.298
61 1HE2 GLN 11 1HE2 GLN 11 7.932 -0.814 -5.303
62 2HE2 GLN 11 2HE2 GLN 11 8.186 0.708 -6.141
63 H GLN 12 H GLN 12 7.076 -0.496 0.854
64 HA GLN 12 HA GLN 12 9.228 -2.452 1.249
65 2HB GLN 12 2HB GLN 12 9.373 -1.469 3.490
66 2HG GLN 12 2HG GLN 12 9.146 0.607 1.252
67 1HE2 GLN 12 1HE2 GLN 12 10.971 -0.251 4.280
68 2HE2 GLN 12 2HE2 GLN 12 11.161 1.426 4.767
69 H TYR 13 H TYR 13 5.902 -1.933 2.461
70 HA TYR 13 HA TYR 13 5.893 -4.072 4.323
71 2HB TYR 13 2HB TYR 13 3.514 -2.992 2.776
72 HD1 TYR 13 1HD TYR 13 1.519 -4.042 3.398
73 HD2 TYR 13 2HD TYR 13 4.651 -3.624 6.332
74 HE1 TYR 13 1HE TYR 13 0.114 -5.204 5.052
75 HE2 TYR 13 2HE TYR 13 3.235 -4.799 7.996
76 HH TYR 13 HH TYR 13 -0.037 -5.999 7.210
77 H CYS 14 H CYS 14 5.154 -4.035 0.932
78 HA CYS 14 HA CYS 14 4.376 -6.916 0.762
79 2HB CYS 14 2HB CYS 14 2.581 -5.919 -0.920
80 H LEU 15 H LEU 15 5.160 -7.866 -1.108
81 HA LEU 15 HA LEU 15 7.052 -6.481 -2.705
82 2HB LEU 15 2HB LEU 15 5.632 -8.928 -3.762
83 HG LEU 15 HG LEU 15 7.797 -9.758 -4.267
84 1HD1 LEU 15 1HD1 LEU 15 6.940 -7.999 -5.846
85 2HD1 LEU 15 2HD1 LEU 15 7.992 -6.820 -5.019
86 3HD1 LEU 15 3HD1 LEU 15 8.700 -8.208 -5.852
87 1HD2 LEU 15 1HD2 LEU 15 8.958 -9.057 -2.199
88 2HD2 LEU 15 2HD2 LEU 15 9.904 -8.724 -3.658
89 3HD2 LEU 15 3HD2 LEU 15 9.079 -7.400 -2.824
90 H THR 16 H THR 16 3.601 -7.268 -3.260
91 HA THR 16 HA THR 16 3.558 -5.285 -5.511
92 HB THR 16 HB THR 16 1.999 -7.886 -5.461
93 HG1 THR 16 1HG THR 16 4.317 -8.117 -5.724
94 1HG2 THR 16 1HG2 THR 16 2.543 -5.803 -7.630
95 2HG2 THR 16 2HG2 THR 16 1.618 -7.307 -7.836
96 3HG2 THR 16 3HG2 THR 16 0.997 -6.014 -6.787
97 HA PRO 17 HA PRO 17 0.462 -4.073 -2.487
98 2HB PRO 17 2HB PRO 17 1.250 -2.342 -1.469
99 2HG PRO 17 2HG PRO 17 3.551 -1.906 -2.026
100 2HD PRO 17 2HD PRO 17 3.172 -4.028 -2.180
101 H ASP 18 H ASP 18 -1.490 -2.750 -2.886
102 HA ASP 18 HA ASP 18 -2.386 -2.668 -5.702
103 2HB ASP 18 2HB ASP 18 -3.969 -2.238 -3.137
104 H ARG 19 H ARG 19 -2.641 -0.713 -2.658
105 HA ARG 19 HA ARG 19 -1.568 1.675 -3.967
106 2HB ARG 19 2HB ARG 19 -3.664 2.372 -4.655
107 2HG ARG 19 2HG ARG 19 -4.965 0.584 -2.561
108 2HD ARG 19 2HD ARG 19 -6.044 1.925 -5.096
109 HE ARG 19 HE ARG 19 -6.652 -0.630 -3.977
110 1HH1 ARG 19 2HH2 ARG 19 -8.394 1.988 -5.550
111 2HH1 ARG 19 1HH2 ARG 19 -9.237 0.926 -6.646
112 1HH2 ARG 19 1HH1 ARG 19 -7.471 -1.914 -5.348
113 2HH2 ARG 19 2HH1 ARG 19 -8.764 -1.496 -6.476
114 H CYS 20 H CYS 20 -1.158 3.283 -2.473
115 HA CYS 20 HA CYS 20 -1.839 2.839 0.399
116 2HB CYS 20 2HB CYS 20 -0.343 5.101 -0.932
117 H SER 21 H SER 21 -4.053 3.259 0.624
118 HA SER 21 HA SER 21 -5.264 5.625 -0.563
119 2HB SER 21 2HB SER 21 -7.013 3.942 -1.603
120 HG SER 21 HG SER 21 -4.538 4.829 -2.604
121 H TYR 22 H TYR 22 -7.405 5.953 0.331
122 HA TYR 22 HA TYR 22 -8.752 6.075 2.171
123 2HB TYR 22 2HB TYR 22 -8.622 3.134 2.276
124 HD1 TYR 22 1HD TYR 22 -9.856 2.654 4.262
125 HD2 TYR 22 2HD TYR 22 -11.317 5.609 1.482
126 HE1 TYR 22 1HE TYR 22 -12.005 2.759 5.495
127 HE2 TYR 22 2HE TYR 22 -13.458 5.712 2.715
128 HH TYR 22 HH TYR 22 -14.688 4.894 4.486
129 H GLY 23 H GLY 23 -6.007 6.414 2.760
130 1HA GLY 23 2HA GLY 23 -4.443 6.386 4.421
131 2HA GLY 23 3HA GLY 23 -5.814 6.288 5.541
132 H THR 24 H THR 24 -4.769 3.835 3.100
133 HA THR 24 HA THR 24 -3.782 2.019 5.176
134 HB THR 24 HB THR 24 -6.352 1.723 3.583
135 HG1 THR 24 1HG THR 24 -6.092 2.513 5.866
136 1HG2 THR 24 1HG2 THR 24 -4.812 -0.562 4.887
137 2HG2 THR 24 2HG2 THR 24 -6.490 -0.627 4.323
138 3HG2 THR 24 3HG2 THR 24 -5.186 -0.393 3.154
139 H CYS 25 H CYS 25 -2.355 0.476 4.336
140 HA CYS 25 HA CYS 25 -1.637 0.912 1.474
141 2HB CYS 25 2HB CYS 25 0.028 0.997 3.600
142 H TYR 26 H TYR 26 -3.109 -0.125 0.424
143 HA TYR 26 HA TYR 26 -4.164 -2.779 1.057
144 2HB TYR 26 2HB TYR 26 -5.176 -2.382 -1.274
145 HD1 TYR 26 1HD TYR 26 -6.833 -2.937 0.571
146 HD2 TYR 26 2HD TYR 26 -5.432 1.057 -0.216
147 HE1 TYR 26 1HE TYR 26 -8.928 -2.021 1.514
148 HE2 TYR 26 2HE TYR 26 -7.652 1.949 0.478
149 HH TYR 26 HH TYR 26 -10.183 -0.113 1.894
150 H CYS 27 H CYS 27 -3.467 -4.744 0.054
151 HA CYS 27 HA CYS 27 -1.403 -4.527 -2.012
152 2HB CYS 27 2HB CYS 27 -0.133 -6.302 -1.098
153 H LYS 28 H LYS 28 -1.220 -6.193 -3.562
154 HA LYS 28 HA LYS 28 -3.875 -7.299 -4.182
155 2HB LYS 28 2HB LYS 28 -2.894 -7.892 -6.300
156 2HG LYS 28 2HG LYS 28 -1.768 -5.166 -5.547
157 2HD LYS 28 2HD LYS 28 -3.031 -6.208 -8.116
158 2HE LYS 28 2HE LYS 28 -1.464 -3.646 -7.506
159 1HZ LYS 28 1HZ LYS 28 -1.330 -4.319 -9.792
160 2HZ LYS 28 2HZ LYS 28 -2.978 -4.398 -9.905
161 3HZ LYS 28 3HZ LYS 28 -2.239 -2.958 -9.623
162 H THR 29 H THR 29 -2.884 -8.426 -1.780
163 HA THR 29 HA THR 29 -1.502 -10.950 -2.354
164 HB THR 29 HB THR 29 -1.912 -11.148 0.188
165 HG1 THR 29 1HG THR 29 -3.635 -9.677 0.255
166 1HG2 THR 29 1HG2 THR 29 -0.197 -9.425 0.716
167 2HG2 THR 29 2HG2 THR 29 0.242 -10.390 -0.707
168 3HG2 THR 29 3HG2 THR 29 -0.384 -8.744 -0.912
169 H THR 30 H THR 30 -3.311 -11.451 -3.945
170 HA THR 30 HA THR 30 -5.049 -13.411 -2.776
171 HB THR 30 HB THR 30 -6.426 -11.445 -2.253
172 HG1 THR 30 1HG THR 30 -8.269 -12.167 -3.247
173 1HG2 THR 30 1HG2 THR 30 -7.374 -10.022 -4.013
174 2HG2 THR 30 2HG2 THR 30 -5.612 -9.872 -3.993
175 3HG2 THR 30 3HG2 THR 30 -6.406 -10.847 -5.248
176 1HN NH2 31 H NH2 31 -6.742 -13.803 -4.898
177 2HN NH2 31 2HN NH2 31 -5.796 -14.177 -6.347
Start of MODEL 6
1 HA PCA 1 HA PCA 1 -4.720 7.281 10.749
2 1HB PCA 1 3HB PCA 1 -5.986 9.246 10.904
3 2HB PCA 1 2HB PCA 1 -5.939 9.157 9.124
4 1HG PCA 1 2HG PCA 1 -4.151 10.754 9.038
5 2HG PCA 1 3HG PCA 1 -4.987 11.330 10.513
6 H THR 2 H THR 2 -1.927 7.259 9.673
7 HA THR 2 HA THR 2 -2.471 6.523 6.836
8 HB THR 2 HB THR 2 -0.307 7.706 6.314
9 HG1 THR 2 1HG THR 2 0.333 7.846 8.518
10 1HG2 THR 2 1HG2 THR 2 -2.520 8.741 5.769
11 2HG2 THR 2 2HG2 THR 2 -2.483 9.582 7.335
12 3HG2 THR 2 3HG2 THR 2 -1.249 9.930 6.115
13 H GLN 3 H GLN 3 -2.116 4.325 7.107
14 HA GLN 3 HA GLN 3 0.157 3.110 8.419
15 2HB GLN 3 2HB GLN 3 -0.185 1.325 6.714
16 2HG GLN 3 2HG GLN 3 -2.915 2.197 7.841
17 1HE2 GLN 3 1HE2 GLN 3 -3.823 0.310 8.837
18 2HE2 GLN 3 2HE2 GLN 3 -3.922 -1.020 7.741
19 H CYS 4 H CYS 4 -0.424 4.753 5.338
20 HA CYS 4 HA CYS 4 2.435 4.680 4.589
21 2HB CYS 4 2HB CYS 4 1.460 2.857 3.345
22 H GLN 5 H GLN 5 2.975 6.280 3.124
23 HA GLN 5 HA GLN 5 1.191 8.678 3.014
24 2HB GLN 5 2HB GLN 5 3.240 9.901 2.501
25 2HG GLN 5 2HG GLN 5 3.647 8.120 4.951
26 1HE2 GLN 5 1HE2 GLN 5 4.466 9.599 6.828
27 2HE2 GLN 5 2HE2 GLN 5 5.785 10.669 6.383
28 H SER 6 H SER 6 2.956 6.155 1.160
29 HA SER 6 HA SER 6 1.356 6.790 -1.178
30 2HB SER 6 2HB SER 6 2.830 8.331 -1.917
31 HG SER 6 HG SER 6 4.407 7.726 -0.055
32 H VAL 7 H VAL 7 2.159 5.424 -3.048
33 HA VAL 7 HA VAL 7 1.806 2.783 -2.308
34 HB VAL 7 HB VAL 7 1.381 3.865 -4.511
35 1HG1 VAL 7 1HG1 VAL 7 3.127 4.093 -6.191
36 2HG1 VAL 7 2HG1 VAL 7 3.510 5.120 -4.802
37 3HG1 VAL 7 3HG1 VAL 7 4.369 3.586 -5.041
38 1HG2 VAL 7 1HG2 VAL 7 1.885 1.943 -5.862
39 2HG2 VAL 7 2HG2 VAL 7 3.093 1.385 -4.675
40 3HG2 VAL 7 3HG2 VAL 7 1.368 1.472 -4.225
41 H ARG 8 H ARG 8 4.814 4.563 -2.651
42 HA ARG 8 HA ARG 8 6.866 2.729 -2.549
43 2HB ARG 8 2HB ARG 8 8.006 4.426 -1.089
44 2HG ARG 8 2HG ARG 8 6.433 5.532 -3.464
45 2HD ARG 8 2HD ARG 8 8.769 6.683 -1.887
46 HE ARG 8 HE ARG 8 8.174 7.083 -4.595
47 1HH1 ARG 8 2HH2 ARG 8 8.440 9.047 -1.689
48 2HH1 ARG 8 1HH2 ARG 8 8.973 10.490 -2.493
49 1HH2 ARG 8 1HH1 ARG 8 8.875 8.984 -5.730
50 2HH2 ARG 8 2HH1 ARG 8 9.220 10.445 -4.862
51 H ASP 9 H ASP 9 4.852 3.828 0.265
52 HA ASP 9 HA ASP 9 6.240 2.444 2.312
53 2HB ASP 9 2HB ASP 9 3.847 2.855 3.366
54 H CYS 10 H CYS 10 3.330 1.641 0.295
55 HA CYS 10 HA CYS 10 3.121 -0.968 1.497
56 2HB CYS 10 2HB CYS 10 2.239 -0.934 -1.165
57 H GLN 11 H GLN 11 4.958 0.239 -1.318
58 HA GLN 11 HA GLN 11 5.664 -2.299 -2.361
59 2HB GLN 11 2HB GLN 11 7.715 -1.170 -3.243
60 2HG GLN 11 2HG GLN 11 5.019 0.159 -3.703
61 1HE2 GLN 11 1HE2 GLN 11 7.907 -0.740 -5.675
62 2HE2 GLN 11 2HE2 GLN 11 8.088 0.857 -6.383
63 H GLN 12 H GLN 12 7.111 -0.377 0.309
64 HA GLN 12 HA GLN 12 9.251 -2.181 0.874
65 2HB GLN 12 2HB GLN 12 9.213 -1.208 3.139
66 2HG GLN 12 2HG GLN 12 8.885 1.304 1.901
67 1HE2 GLN 12 1HE2 GLN 12 11.258 -1.426 1.545
68 2HE2 GLN 12 2HE2 GLN 12 12.578 -0.549 2.301
69 H TYR 13 H TYR 13 5.835 -2.121 1.962
70 HA TYR 13 HA TYR 13 6.185 -4.461 3.664
71 2HB TYR 13 2HB TYR 13 3.793 -4.211 4.082
72 HD1 TYR 13 1HD TYR 13 6.081 -3.377 5.673
73 HD2 TYR 13 2HD TYR 13 3.092 -0.963 3.714
74 HE1 TYR 13 1HE TYR 13 6.487 -1.537 7.277
75 HE2 TYR 13 2HE TYR 13 3.508 0.860 5.303
76 HH TYR 13 HH TYR 13 4.717 1.567 7.117
77 H CYS 14 H CYS 14 5.379 -4.156 0.285
78 HA CYS 14 HA CYS 14 4.480 -6.988 0.080
79 2HB CYS 14 2HB CYS 14 2.582 -5.970 -1.444
80 H LEU 15 H LEU 15 5.203 -7.899 -1.805
81 HA LEU 15 HA LEU 15 6.968 -6.477 -3.535
82 2HB LEU 15 2HB LEU 15 6.523 -8.529 -5.064
83 HG LEU 15 HG LEU 15 7.694 -10.143 -3.665
84 1HD1 LEU 15 1HD1 LEU 15 9.793 -8.972 -3.490
85 2HD1 LEU 15 2HD1 LEU 15 8.937 -8.399 -4.932
86 3HD1 LEU 15 3HD1 LEU 15 8.994 -7.394 -3.466
87 1HD2 LEU 15 1HD2 LEU 15 8.464 -9.667 -1.432
88 2HD2 LEU 15 2HD2 LEU 15 7.682 -8.081 -1.425
89 3HD2 LEU 15 3HD2 LEU 15 6.696 -9.564 -1.454
90 H THR 16 H THR 16 3.482 -7.240 -3.844
91 HA THR 16 HA THR 16 3.366 -5.352 -6.173
92 HB THR 16 HB THR 16 1.773 -7.929 -5.964
93 HG1 THR 16 1HG THR 16 4.054 -8.261 -6.266
94 1HG2 THR 16 1HG2 THR 16 0.782 -6.092 -7.354
95 2HG2 THR 16 2HG2 THR 16 2.310 -5.970 -8.247
96 3HG2 THR 16 3HG2 THR 16 1.339 -7.453 -8.349
97 HA PRO 17 HA PRO 17 0.442 -4.116 -3.021
98 2HB PRO 17 2HB PRO 17 1.132 -2.349 -2.052
99 2HG PRO 17 2HG PRO 17 3.446 -2.066 -2.470
100 2HD PRO 17 2HD PRO 17 3.030 -4.140 -2.787
101 H ASP 18 H ASP 18 -1.606 -3.019 -3.258
102 HA ASP 18 HA ASP 18 -2.745 -2.888 -5.967
103 2HB ASP 18 2HB ASP 18 -3.986 -2.382 -3.229
104 H ARG 19 H ARG 19 -2.650 -0.872 -2.942
105 HA ARG 19 HA ARG 19 -1.696 1.494 -4.369
106 2HB ARG 19 2HB ARG 19 -3.848 2.235 -4.824
107 2HG ARG 19 2HG ARG 19 -4.939 0.465 -2.618
108 2HD ARG 19 2HD ARG 19 -6.317 1.618 -5.111
109 HE ARG 19 HE ARG 19 -6.814 -0.670 -4.350
110 1HH1 ARG 19 2HH2 ARG 19 -8.724 1.771 -2.664
111 2HH1 ARG 19 1HH2 ARG 19 -9.352 0.609 -1.514
112 1HH2 ARG 19 1HH1 ARG 19 -7.627 -2.066 -3.188
113 2HH2 ARG 19 2HH1 ARG 19 -8.888 -1.769 -1.980
114 H CYS 20 H CYS 20 -1.298 3.202 -2.845
115 HA CYS 20 HA CYS 20 -1.737 2.607 0.047
116 2HB CYS 20 2HB CYS 20 -0.339 4.938 -1.293
117 H SER 21 H SER 21 -3.894 3.137 0.543
118 HA SER 21 HA SER 21 -5.187 5.435 -0.695
119 2HB SER 21 2HB SER 21 -7.028 3.695 -1.458
120 HG SER 21 HG SER 21 -4.678 4.563 -2.729
121 H TYR 22 H TYR 22 -7.054 6.042 0.458
122 HA TYR 22 HA TYR 22 -8.084 6.430 2.454
123 2HB TYR 22 2HB TYR 22 -9.305 4.515 3.433
124 HD1 TYR 22 1HD TYR 22 -11.100 5.913 2.589
125 HD2 TYR 22 2HD TYR 22 -8.898 3.306 -0.041
126 HE1 TYR 22 1HE TYR 22 -12.888 6.112 0.892
127 HE2 TYR 22 2HE TYR 22 -10.697 3.506 -1.741
128 HH TYR 22 HH TYR 22 -13.626 5.465 -1.200
129 H GLY 23 H GLY 23 -5.356 6.505 2.725
130 1HA GLY 23 2HA GLY 23 -3.626 6.412 4.213
131 2HA GLY 23 3HA GLY 23 -4.875 6.363 5.467
132 H THR 24 H THR 24 -4.697 3.754 3.119
133 HA THR 24 HA THR 24 -3.599 1.883 5.138
134 HB THR 24 HB THR 24 -5.957 1.502 3.236
135 HG1 THR 24 1HG THR 24 -6.460 2.866 4.986
136 1HG2 THR 24 1HG2 THR 24 -4.938 -0.314 5.451
137 2HG2 THR 24 2HG2 THR 24 -6.374 -0.569 4.447
138 3HG2 THR 24 3HG2 THR 24 -4.766 -0.627 3.708
139 H CYS 25 H CYS 25 -2.127 0.376 4.233
140 HA CYS 25 HA CYS 25 -1.531 0.730 1.323
141 2HB CYS 25 2HB CYS 25 0.221 0.376 3.502
142 H TYR 26 H TYR 26 -2.520 -0.536 -0.003
143 HA TYR 26 HA TYR 26 -3.967 -3.000 0.876
144 2HB TYR 26 2HB TYR 26 -5.077 -2.529 -1.402
145 HD1 TYR 26 1HD TYR 26 -6.895 -3.135 0.030
146 HD2 TYR 26 2HD TYR 26 -5.143 0.799 0.146
147 HE1 TYR 26 1HE TYR 26 -9.121 -2.159 0.486
148 HE2 TYR 26 2HE TYR 26 -7.371 1.756 0.625
149 HH TYR 26 HH TYR 26 -9.776 1.209 0.835
150 H CYS 27 H CYS 27 -3.353 -4.960 -0.194
151 HA CYS 27 HA CYS 27 -1.309 -4.714 -2.299
152 2HB CYS 27 2HB CYS 27 -0.096 -6.543 -1.477
153 H LYS 28 H LYS 28 -1.320 -6.037 -4.053
154 HA LYS 28 HA LYS 28 -3.848 -7.469 -4.612
155 2HB LYS 28 2HB LYS 28 -2.531 -7.937 -6.794
156 2HG LYS 28 2HG LYS 28 -2.648 -5.294 -7.318
157 2HD LYS 28 2HD LYS 28 -4.912 -7.283 -6.860
158 2HE LYS 28 2HE LYS 28 -6.130 -5.249 -6.762
159 1HZ LYS 28 1HZ LYS 28 -5.853 -3.602 -8.569
160 2HZ LYS 28 2HZ LYS 28 -4.761 -3.592 -7.399
161 3HZ LYS 28 3HZ LYS 28 -4.358 -4.241 -8.884
162 H THR 29 H THR 29 -3.322 -8.677 -2.597
163 HA THR 29 HA THR 29 -2.066 -11.260 -3.278
164 HB THR 29 HB THR 29 -1.155 -9.736 -0.795
165 HG1 THR 29 1HG THR 29 -0.195 -9.701 -3.422
166 1HG2 THR 29 1HG2 THR 29 -0.014 -12.162 -2.266
167 2HG2 THR 29 2HG2 THR 29 0.668 -11.399 -0.816
168 3HG2 THR 29 3HG2 THR 29 -0.901 -12.217 -0.726
169 H THR 30 H THR 30 -4.626 -10.998 -3.242
170 HA THR 30 HA THR 30 -5.981 -10.817 -0.833
171 HB THR 30 HB THR 30 -7.019 -12.213 -3.325
172 HG1 THR 30 1HG THR 30 -7.224 -10.102 -4.196
173 1HG2 THR 30 1HG2 THR 30 -8.588 -11.809 -1.415
174 2HG2 THR 30 2HG2 THR 30 -8.207 -10.073 -1.489
175 3HG2 THR 30 3HG2 THR 30 -9.027 -10.866 -2.850
176 1HN NH2 31 H NH2 31 -4.370 -12.523 0.249
177 2HN NH2 31 2HN NH2 31 -5.043 -14.146 0.381
Start of MODEL 7
1 HA PCA 1 HA PCA 1 1.735 9.450 6.560
2 1HB PCA 1 3HB PCA 1 1.444 11.786 6.590
3 2HB PCA 1 2HB PCA 1 0.504 11.414 8.059
4 1HG PCA 1 2HG PCA 1 -1.559 11.529 6.832
5 2HG PCA 1 3HG PCA 1 -0.598 12.733 5.918
6 H THR 2 H THR 2 -0.465 7.551 5.982
7 HA THR 2 HA THR 2 -1.568 7.094 8.751
8 HB THR 2 HB THR 2 -2.760 6.192 6.140
9 HG1 THR 2 1HG THR 2 -4.171 7.965 6.443
10 1HG2 THR 2 1HG2 THR 2 -3.519 5.013 8.291
11 2HG2 THR 2 2HG2 THR 2 -3.919 6.605 8.957
12 3HG2 THR 2 3HG2 THR 2 -4.810 5.974 7.563
13 H GLN 3 H GLN 3 -2.083 4.392 6.907
14 HA GLN 3 HA GLN 3 0.127 2.841 7.964
15 2HB GLN 3 2HB GLN 3 -0.386 1.299 6.065
16 2HG GLN 3 2HG GLN 3 -2.971 2.103 7.527
17 1HE2 GLN 3 1HE2 GLN 3 -3.868 0.238 8.459
18 2HE2 GLN 3 2HE2 GLN 3 -3.946 -1.124 7.400
19 H CYS 4 H CYS 4 -0.328 4.976 5.210
20 HA CYS 4 HA CYS 4 2.498 4.999 4.465
21 2HB CYS 4 2HB CYS 4 1.716 3.158 3.118
22 H GLN 5 H GLN 5 2.739 6.592 2.746
23 HA GLN 5 HA GLN 5 0.761 8.836 2.729
24 2HB GLN 5 2HB GLN 5 3.623 9.012 1.797
25 2HG GLN 5 2HG GLN 5 1.862 10.968 3.347
26 1HE2 GLN 5 1HE2 GLN 5 4.491 10.802 4.066
27 2HE2 GLN 5 2HE2 GLN 5 5.398 12.103 3.312
28 H SER 6 H SER 6 2.729 6.531 0.795
29 HA SER 6 HA SER 6 1.021 6.991 -1.571
30 2HB SER 6 2HB SER 6 3.127 7.499 -2.967
31 HG SER 6 HG SER 6 1.784 9.218 -1.235
32 H VAL 7 H VAL 7 1.559 5.346 -3.323
33 HA VAL 7 HA VAL 7 1.695 2.866 -2.272
34 HB VAL 7 HB VAL 7 0.826 3.625 -4.469
35 1HG1 VAL 7 1HG1 VAL 7 3.687 3.368 -5.489
36 2HG1 VAL 7 2HG1 VAL 7 2.234 3.704 -6.439
37 3HG1 VAL 7 3HG1 VAL 7 2.816 4.905 -5.276
38 1HG2 VAL 7 1HG2 VAL 7 1.216 1.544 -5.613
39 2HG2 VAL 7 2HG2 VAL 7 2.641 1.209 -4.596
40 3HG2 VAL 7 3HG2 VAL 7 1.017 1.289 -3.864
41 H ARG 8 H ARG 8 4.380 4.792 -3.338
42 HA ARG 8 HA ARG 8 6.739 3.479 -3.231
43 2HB ARG 8 2HB ARG 8 6.048 5.802 -1.354
44 2HG ARG 8 2HG ARG 8 8.054 6.865 -2.146
45 2HD ARG 8 2HD ARG 8 9.855 5.514 -1.403
46 HE ARG 8 HE ARG 8 7.490 5.542 0.305
47 1HH1 ARG 8 2HH2 ARG 8 10.611 3.870 -0.077
48 2HH1 ARG 8 1HH2 ARG 8 10.613 3.378 1.614
49 1HH2 ARG 8 1HH1 ARG 8 7.617 4.970 2.409
50 2HH2 ARG 8 2HH1 ARG 8 8.943 3.934 3.015
51 H ASP 9 H ASP 9 4.745 4.156 -0.359
52 HA ASP 9 HA ASP 9 6.536 3.064 1.584
53 2HB ASP 9 2HB ASP 9 4.372 3.663 2.965
54 H CYS 10 H CYS 10 3.447 1.988 0.077
55 HA CYS 10 HA CYS 10 3.526 -0.517 1.468
56 2HB CYS 10 2HB CYS 10 2.450 -0.793 -1.137
57 H GLN 11 H GLN 11 5.212 0.635 -1.490
58 HA GLN 11 HA GLN 11 5.924 -1.998 -2.335
59 2HB GLN 11 2HB GLN 11 7.836 -0.834 -3.516
60 2HG GLN 11 2HG GLN 11 4.947 0.051 -3.876
61 1HE2 GLN 11 1HE2 GLN 11 5.592 2.234 -4.485
62 2HE2 GLN 11 2HE2 GLN 11 6.335 2.495 -6.060
63 H GLN 12 H GLN 12 6.997 -0.285 0.508
64 HA GLN 12 HA GLN 12 9.284 -2.145 0.897
65 2HB GLN 12 2HB GLN 12 9.298 -1.260 3.178
66 2HG GLN 12 2HG GLN 12 9.235 1.016 1.159
67 1HE2 GLN 12 1HE2 GLN 12 11.236 -0.387 3.858
68 2HE2 GLN 12 2HE2 GLN 12 11.457 1.146 4.678
69 H TYR 13 H TYR 13 5.949 -1.564 2.050
70 HA TYR 13 HA TYR 13 5.958 -3.561 4.048
71 2HB TYR 13 2HB TYR 13 3.531 -2.611 2.504
72 HD1 TYR 13 1HD TYR 13 1.731 -3.920 3.316
73 HD2 TYR 13 2HD TYR 13 4.720 -2.497 6.075
74 HE1 TYR 13 1HE TYR 13 0.400 -4.794 5.198
75 HE2 TYR 13 2HE TYR 13 3.377 -3.376 7.969
76 HH TYR 13 HH TYR 13 0.258 -5.047 7.483
77 H CYS 14 H CYS 14 5.121 -3.771 0.679
78 HA CYS 14 HA CYS 14 4.389 -6.669 0.773
79 2HB CYS 14 2HB CYS 14 2.622 -5.865 -1.047
80 H LEU 15 H LEU 15 5.066 -7.795 -1.040
81 HA LEU 15 HA LEU 15 7.063 -6.674 -2.727
82 2HB LEU 15 2HB LEU 15 5.414 -9.111 -3.470
83 HG LEU 15 HG LEU 15 7.468 -10.136 -4.079
84 1HD1 LEU 15 1HD1 LEU 15 8.229 -8.874 -5.956
85 2HD1 LEU 15 2HD1 LEU 15 6.500 -8.537 -5.768
86 3HD1 LEU 15 3HD1 LEU 15 7.713 -7.343 -5.245
87 1HD2 LEU 15 1HD2 LEU 15 9.672 -9.162 -3.854
88 2HD2 LEU 15 2HD2 LEU 15 9.014 -7.685 -3.137
89 3HD2 LEU 15 3HD2 LEU 15 8.892 -9.227 -2.265
90 H THR 16 H THR 16 3.598 -7.421 -3.271
91 HA THR 16 HA THR 16 3.609 -5.598 -5.650
92 HB THR 16 HB THR 16 1.921 -8.099 -5.361
93 HG1 THR 16 1HG THR 16 3.503 -9.005 -6.769
94 1HG2 THR 16 1HG2 THR 16 1.196 -6.319 -6.981
95 2HG2 THR 16 2HG2 THR 16 2.794 -6.396 -7.745
96 3HG2 THR 16 3HG2 THR 16 1.710 -7.805 -7.806
97 HA PRO 17 HA PRO 17 0.528 -4.097 -2.723
98 2HB PRO 17 2HB PRO 17 1.318 -2.320 -1.810
99 2HG PRO 17 2HG PRO 17 3.648 -2.001 -2.342
100 2HD PRO 17 2HD PRO 17 3.240 -4.104 -2.435
101 H ASP 18 H ASP 18 -1.395 -2.776 -3.154
102 HA ASP 18 HA ASP 18 -2.364 -2.847 -5.954
103 2HB ASP 18 2HB ASP 18 -3.827 -2.320 -3.332
104 H ARG 19 H ARG 19 -2.584 -0.757 -2.979
105 HA ARG 19 HA ARG 19 -1.517 1.576 -4.369
106 2HB ARG 19 2HB ARG 19 -3.611 2.261 -5.106
107 2HG ARG 19 2HG ARG 19 -4.894 0.562 -2.944
108 2HD ARG 19 2HD ARG 19 -6.079 1.661 -5.551
109 HE ARG 19 HE ARG 19 -6.581 -0.639 -4.764
110 1HH1 ARG 19 2HH2 ARG 19 -8.723 1.811 -3.397
111 2HH1 ARG 19 1HH2 ARG 19 -9.428 0.675 -2.264
112 1HH2 ARG 19 1HH1 ARG 19 -7.464 -2.009 -3.617
113 2HH2 ARG 19 2HH1 ARG 19 -8.847 -1.697 -2.555
114 H CYS 20 H CYS 20 -1.119 3.229 -2.908
115 HA CYS 20 HA CYS 20 -1.772 2.843 -0.022
116 2HB CYS 20 2HB CYS 20 -0.413 5.151 -1.420
117 H SER 21 H SER 21 -3.999 3.165 0.226
118 HA SER 21 HA SER 21 -5.287 5.492 -0.963
119 2HB SER 21 2HB SER 21 -7.026 3.773 -1.929
120 HG SER 21 HG SER 21 -4.606 4.706 -3.002
121 H TYR 22 H TYR 22 -7.232 5.965 0.140
122 HA TYR 22 HA TYR 22 -8.556 6.021 2.005
123 2HB TYR 22 2HB TYR 22 -8.513 3.070 1.926
124 HD1 TYR 22 1HD TYR 22 -11.198 5.631 1.466
125 HD2 TYR 22 2HD TYR 22 -9.616 2.495 3.971
126 HE1 TYR 22 1HE TYR 22 -13.282 5.645 2.814
127 HE2 TYR 22 2HE TYR 22 -11.691 2.514 5.308
128 HH TYR 22 HH TYR 22 -13.785 3.448 5.582
129 H GLY 23 H GLY 23 -5.815 6.307 2.525
130 1HA GLY 23 2HA GLY 23 -4.266 6.332 4.186
131 2HA GLY 23 3HA GLY 23 -5.585 5.958 5.307
132 H THR 24 H THR 24 -5.149 3.576 2.861
133 HA THR 24 HA THR 24 -3.903 1.705 4.787
134 HB THR 24 HB THR 24 -6.082 1.233 2.704
135 HG1 THR 24 1HG THR 24 -6.821 2.486 4.461
136 1HG2 THR 24 1HG2 THR 24 -6.403 -0.915 3.834
137 2HG2 THR 24 2HG2 THR 24 -4.752 -0.807 3.200
138 3HG2 THR 24 3HG2 THR 24 -5.059 -0.568 4.937
139 H CYS 25 H CYS 25 -2.210 0.441 3.915
140 HA CYS 25 HA CYS 25 -1.536 0.948 1.052
141 2HB CYS 25 2HB CYS 25 0.144 1.105 3.137
142 H TYR 26 H TYR 26 -3.116 -0.082 0.112
143 HA TYR 26 HA TYR 26 -4.143 -2.727 0.760
144 2HB TYR 26 2HB TYR 26 -5.094 -2.391 -1.614
145 HD1 TYR 26 1HD TYR 26 -6.981 -2.968 -0.229
146 HD2 TYR 26 2HD TYR 26 -5.362 1.019 -0.341
147 HE1 TYR 26 1HE TYR 26 -9.264 -2.038 -0.028
148 HE2 TYR 26 2HE TYR 26 -7.663 1.938 -0.192
149 HH TYR 26 HH TYR 26 -10.052 1.312 0.002
150 H CYS 27 H CYS 27 -3.478 -4.725 -0.224
151 HA CYS 27 HA CYS 27 -1.341 -4.542 -2.225
152 2HB CYS 27 2HB CYS 27 -0.098 -6.284 -1.228
153 H LYS 28 H LYS 28 -1.241 -5.928 -3.904
154 HA LYS 28 HA LYS 28 -3.754 -7.227 -4.575
155 2HB LYS 28 2HB LYS 28 -2.218 -7.974 -6.595
156 2HG LYS 28 2HG LYS 28 -2.270 -5.417 -7.340
157 2HD LYS 28 2HD LYS 28 -4.590 -7.318 -6.818
158 2HE LYS 28 2HE LYS 28 -5.794 -5.278 -6.862
159 1HZ LYS 28 1HZ LYS 28 -3.973 -4.398 -8.997
160 2HZ LYS 28 2HZ LYS 28 -5.464 -3.725 -8.733
161 3HZ LYS 28 3HZ LYS 28 -4.383 -3.672 -7.550
162 H THR 29 H THR 29 -1.138 -8.234 -2.616
163 HA THR 29 HA THR 29 -1.346 -11.038 -3.091
164 HB THR 29 HB THR 29 -0.502 -10.954 -0.589
165 HG1 THR 29 1HG THR 29 0.208 -8.875 -0.019
166 1HG2 THR 29 1HG2 THR 29 1.013 -11.321 -2.522
167 2HG2 THR 29 2HG2 THR 29 1.094 -9.568 -2.802
168 3HG2 THR 29 3HG2 THR 29 1.767 -10.267 -1.313
169 H THR 30 H THR 30 -3.565 -8.813 -1.944
170 HA THR 30 HA THR 30 -5.168 -10.628 -0.316
171 HB THR 30 HB THR 30 -6.094 -8.127 -1.786
172 HG1 THR 30 1HG THR 30 -4.415 -7.523 -0.527
173 1HG2 THR 30 1HG2 THR 30 -7.089 -9.517 0.749
174 2HG2 THR 30 2HG2 THR 30 -7.722 -8.005 0.069
175 3HG2 THR 30 3HG2 THR 30 -7.924 -9.523 -0.820
176 1HN NH2 31 H NH2 31 -4.726 -12.416 -1.987
177 2HN NH2 31 2HN NH2 31 -5.929 -12.603 -3.263
Start of MODEL 8
1 HA PCA 1 HA PCA 1 -3.114 8.717 11.185
2 1HB PCA 1 3HB PCA 1 -4.562 10.459 11.799
3 2HB PCA 1 2HB PCA 1 -5.485 9.876 10.389
4 1HG PCA 1 2HG PCA 1 -4.575 11.625 9.012
5 2HG PCA 1 3HG PCA 1 -4.572 12.467 10.592
6 H THR 2 H THR 2 -1.608 7.809 9.260
7 HA THR 2 HA THR 2 -3.305 6.754 7.218
8 HB THR 2 HB THR 2 -1.617 7.387 5.430
9 HG1 THR 2 1HG THR 2 -0.831 9.243 7.426
10 1HG2 THR 2 1HG2 THR 2 -2.998 9.865 6.530
11 2HG2 THR 2 2HG2 THR 2 -2.539 9.512 4.858
12 3HG2 THR 2 3HG2 THR 2 -3.838 8.585 5.636
13 H GLN 3 H GLN 3 -2.468 4.774 6.767
14 HA GLN 3 HA GLN 3 -0.330 3.571 8.304
15 2HB GLN 3 2HB GLN 3 -0.516 1.738 6.607
16 2HG GLN 3 2HG GLN 3 -3.301 2.623 7.585
17 1HE2 GLN 3 1HE2 GLN 3 -4.218 0.761 8.639
18 2HE2 GLN 3 2HE2 GLN 3 -4.271 -0.608 7.587
19 H CYS 4 H CYS 4 -0.600 4.948 5.033
20 HA CYS 4 HA CYS 4 2.340 4.739 4.614
21 2HB CYS 4 2HB CYS 4 1.416 2.985 3.387
22 H GLN 5 H GLN 5 3.271 6.370 3.613
23 HA GLN 5 HA GLN 5 1.899 8.939 3.384
24 2HB GLN 5 2HB GLN 5 4.139 9.664 2.543
25 2HG GLN 5 2HG GLN 5 3.876 8.066 5.130
26 1HE2 GLN 5 1HE2 GLN 5 5.919 6.959 4.493
27 2HE2 GLN 5 2HE2 GLN 5 7.425 7.784 4.914
28 H SER 6 H SER 6 2.785 6.274 1.223
29 HA SER 6 HA SER 6 1.320 7.113 -1.056
30 2HB SER 6 2HB SER 6 3.501 7.383 -2.502
31 HG SER 6 HG SER 6 2.458 9.370 -0.799
32 H VAL 7 H VAL 7 1.966 5.505 -2.938
33 HA VAL 7 HA VAL 7 1.808 2.965 -2.068
34 HB VAL 7 HB VAL 7 1.369 3.932 -4.328
35 1HG1 VAL 7 1HG1 VAL 7 4.305 3.372 -4.903
36 2HG1 VAL 7 2HG1 VAL 7 3.074 3.952 -6.032
37 3HG1 VAL 7 3HG1 VAL 7 3.615 5.003 -4.712
38 1HG2 VAL 7 1HG2 VAL 7 1.778 1.849 -5.496
39 2HG2 VAL 7 2HG2 VAL 7 2.936 1.345 -4.238
40 3HG2 VAL 7 3HG2 VAL 7 1.216 1.575 -3.832
41 H ARG 8 H ARG 8 4.825 4.718 -2.629
42 HA ARG 8 HA ARG 8 6.791 2.784 -2.406
43 2HB ARG 8 2HB ARG 8 7.980 4.618 -0.957
44 2HG ARG 8 2HG ARG 8 8.509 4.218 -3.299
45 2HD ARG 8 2HD ARG 8 6.245 6.197 -3.901
46 HE ARG 8 HE ARG 8 7.701 4.954 -6.088
47 1HH1 ARG 8 2HH2 ARG 8 7.758 7.734 -3.930
48 2HH1 ARG 8 1HH2 ARG 8 8.597 8.792 -5.022
49 1HH2 ARG 8 1HH1 ARG 8 8.845 6.313 -7.577
50 2HH2 ARG 8 2HH1 ARG 8 9.250 7.942 -7.145
51 H ASP 9 H ASP 9 4.813 4.121 0.322
52 HA ASP 9 HA ASP 9 6.387 2.765 2.306
53 2HB ASP 9 2HB ASP 9 3.850 3.168 3.392
54 H CYS 10 H CYS 10 3.399 1.952 0.495
55 HA CYS 10 HA CYS 10 3.200 -0.584 1.877
56 2HB CYS 10 2HB CYS 10 2.356 -0.698 -0.826
57 H GLN 11 H GLN 11 5.093 0.559 -0.939
58 HA GLN 11 HA GLN 11 5.892 -2.027 -1.803
59 2HB GLN 11 2HB GLN 11 7.884 -0.987 -2.777
60 2HG GLN 11 2HG GLN 11 5.278 0.497 -3.290
61 1HE2 GLN 11 1HE2 GLN 11 8.025 -0.860 -5.195
62 2HE2 GLN 11 2HE2 GLN 11 8.323 0.618 -6.091
63 H GLN 12 H GLN 12 7.130 0.057 0.846
64 HA GLN 12 HA GLN 12 9.305 -1.642 1.633
65 2HB GLN 12 2HB GLN 12 9.156 -0.686 3.807
66 2HG GLN 12 2HG GLN 12 8.259 1.600 2.014
67 1HE2 GLN 12 1HE2 GLN 12 7.814 3.117 3.967
68 2HE2 GLN 12 2HE2 GLN 12 9.159 3.392 5.014
69 H TYR 13 H TYR 13 5.840 -1.679 2.377
70 HA TYR 13 HA TYR 13 5.950 -3.814 4.275
71 2HB TYR 13 2HB TYR 13 3.429 -3.071 2.796
72 HD1 TYR 13 1HD TYR 13 4.268 -1.905 6.175
73 HD2 TYR 13 2HD TYR 13 2.474 -5.112 3.924
74 HE1 TYR 13 1HE TYR 13 3.146 -2.727 8.229
75 HE2 TYR 13 2HE TYR 13 1.345 -5.920 5.964
76 HH TYR 13 HH TYR 13 1.014 -5.594 8.221
77 H CYS 14 H CYS 14 5.448 -3.797 0.801
78 HA CYS 14 HA CYS 14 4.709 -6.689 0.661
79 2HB CYS 14 2HB CYS 14 2.862 -5.755 -1.004
80 H LEU 15 H LEU 15 5.440 -7.658 -1.195
81 HA LEU 15 HA LEU 15 7.338 -6.385 -2.847
82 2HB LEU 15 2HB LEU 15 5.709 -8.763 -3.789
83 HG LEU 15 HG LEU 15 7.766 -9.720 -4.476
84 1HD1 LEU 15 1HD1 LEU 15 6.830 -7.971 -6.019
85 2HD1 LEU 15 2HD1 LEU 15 8.021 -6.823 -5.355
86 3HD1 LEU 15 3HD1 LEU 15 8.566 -8.274 -6.204
87 1HD2 LEU 15 1HD2 LEU 15 9.969 -8.776 -4.127
88 2HD2 LEU 15 2HD2 LEU 15 9.301 -7.380 -3.269
89 3HD2 LEU 15 3HD2 LEU 15 9.167 -9.006 -2.565
90 H THR 16 H THR 16 3.879 -7.139 -3.455
91 HA THR 16 HA THR 16 3.867 -5.121 -5.671
92 HB THR 16 HB THR 16 2.281 -7.703 -5.664
93 HG1 THR 16 1HG THR 16 3.935 -8.442 -7.063
94 1HG2 THR 16 1HG2 THR 16 1.563 -5.793 -7.149
95 2HG2 THR 16 2HG2 THR 16 3.183 -5.783 -7.865
96 3HG2 THR 16 3HG2 THR 16 2.129 -7.201 -8.073
97 HA PRO 17 HA PRO 17 0.686 -4.009 -2.675
98 2HB PRO 17 2HB PRO 17 1.314 -2.206 -1.659
99 2HG PRO 17 2HG PRO 17 3.642 -1.893 -1.994
100 2HD PRO 17 2HD PRO 17 3.334 -3.964 -2.342
101 H ASP 18 H ASP 18 -1.403 -3.122 -3.119
102 HA ASP 18 HA ASP 18 -2.324 -2.987 -5.894
103 2HB ASP 18 2HB ASP 18 -3.817 -2.422 -3.288
104 H ARG 19 H ARG 19 -2.393 -0.902 -2.914
105 HA ARG 19 HA ARG 19 -1.471 1.446 -4.404
106 2HB ARG 19 2HB ARG 19 -3.621 2.117 -4.920
107 2HG ARG 19 2HG ARG 19 -4.738 0.375 -2.704
108 2HD ARG 19 2HD ARG 19 -6.022 1.500 -5.255
109 HE ARG 19 HE ARG 19 -6.451 -0.958 -3.970
110 1HH1 ARG 19 2HH2 ARG 19 -8.522 1.607 -5.208
111 2HH1 ARG 19 1HH2 ARG 19 -9.633 0.500 -5.965
112 1HH2 ARG 19 1HH1 ARG 19 -7.603 -2.292 -4.966
113 2HH2 ARG 19 2HH1 ARG 19 -9.156 -1.926 -5.738
114 H CYS 20 H CYS 20 -1.175 3.241 -2.953
115 HA CYS 20 HA CYS 20 -1.743 2.766 -0.070
116 2HB CYS 20 2HB CYS 20 -0.264 5.071 -1.372
117 H SER 21 H SER 21 -3.898 3.377 0.284
118 HA SER 21 HA SER 21 -5.115 5.588 -1.180
119 2HB SER 21 2HB SER 21 -6.897 3.765 -1.939
120 HG SER 21 HG SER 21 -4.469 4.556 -3.129
121 H TYR 22 H TYR 22 -7.021 6.258 -0.136
122 HA TYR 22 HA TYR 22 -8.246 6.647 1.751
123 2HB TYR 22 2HB TYR 22 -8.493 3.704 1.845
124 HD1 TYR 22 1HD TYR 22 -10.839 6.639 1.779
125 HD2 TYR 22 2HD TYR 22 -9.484 3.159 3.941
126 HE1 TYR 22 1HE TYR 22 -12.645 6.963 3.437
127 HE2 TYR 22 2HE TYR 22 -11.306 3.480 5.587
128 HH TYR 22 HH TYR 22 -13.643 6.175 5.362
129 H GLY 23 H GLY 23 -5.530 6.780 2.216
130 1HA GLY 23 2HA GLY 23 -3.905 6.760 3.816
131 2HA GLY 23 3HA GLY 23 -5.235 6.719 4.988
132 H THR 24 H THR 24 -4.878 4.042 2.745
133 HA THR 24 HA THR 24 -3.890 2.257 4.901
134 HB THR 24 HB THR 24 -6.130 1.811 2.881
135 HG1 THR 24 1HG THR 24 -6.739 3.219 4.548
136 1HG2 THR 24 1HG2 THR 24 -4.980 -0.308 3.471
137 2HG2 THR 24 2HG2 THR 24 -5.225 0.055 5.194
138 3HG2 THR 24 3HG2 THR 24 -6.618 -0.228 4.140
139 H CYS 25 H CYS 25 -2.372 0.723 4.158
140 HA CYS 25 HA CYS 25 -1.567 0.956 1.291
141 2HB CYS 25 2HB CYS 25 0.029 0.897 3.599
142 H TYR 26 H TYR 26 -2.327 -0.472 -0.019
143 HA TYR 26 HA TYR 26 -3.769 -2.903 0.957
144 2HB TYR 26 2HB TYR 26 -4.912 -2.538 -1.323
145 HD1 TYR 26 1HD TYR 26 -5.222 0.911 -0.408
146 HD2 TYR 26 2HD TYR 26 -6.360 -3.084 0.740
147 HE1 TYR 26 1HE TYR 26 -7.377 1.764 0.483
148 HE2 TYR 26 2HE TYR 26 -8.390 -2.183 1.846
149 HH TYR 26 HH TYR 26 -9.200 1.296 1.809
150 H CYS 27 H CYS 27 -3.151 -4.890 -0.023
151 HA CYS 27 HA CYS 27 -1.081 -4.770 -2.119
152 2HB CYS 27 2HB CYS 27 0.206 -6.443 -1.075
153 H LYS 28 H LYS 28 -0.951 -6.366 -3.604
154 HA LYS 28 HA LYS 28 -3.484 -7.503 -4.370
155 2HB LYS 28 2HB LYS 28 -2.171 -8.255 -6.361
156 2HG LYS 28 2HG LYS 28 -0.835 -5.976 -6.757
157 2HD LYS 28 2HD LYS 28 -2.780 -6.484 -8.081
158 2HE LYS 28 2HE LYS 28 -4.314 -5.748 -5.556
159 1HZ LYS 28 1HZ LYS 28 -6.263 -5.654 -6.928
160 2HZ LYS 28 2HZ LYS 28 -5.210 -4.431 -7.185
161 3HZ LYS 28 3HZ LYS 28 -5.338 -5.652 -8.303
162 H THR 29 H THR 29 -3.348 -8.649 -2.123
163 HA THR 29 HA THR 29 -1.780 -11.115 -1.991
164 HB THR 29 HB THR 29 -3.141 -11.160 0.263
165 HG1 THR 29 1HG THR 29 -3.476 -8.398 -0.408
166 1HG2 THR 29 1HG2 THR 29 -1.603 -9.441 1.223
167 2HG2 THR 29 2HG2 THR 29 -0.780 -10.604 0.169
168 3HG2 THR 29 3HG2 THR 29 -1.133 -8.973 -0.428
169 H THR 30 H THR 30 -3.332 -11.239 -4.221
170 HA THR 30 HA THR 30 -5.945 -12.361 -3.690
171 HB THR 30 HB THR 30 -4.423 -12.295 -6.324
172 HG1 THR 30 1HG THR 30 -5.805 -10.249 -4.938
173 1HG2 THR 30 1HG2 THR 30 -6.687 -11.943 -7.254
174 2HG2 THR 30 2HG2 THR 30 -6.623 -13.465 -6.351
175 3HG2 THR 30 3HG2 THR 30 -7.395 -12.038 -5.629
176 1HN NH2 31 H NH2 31 -4.734 -14.019 -2.202
177 2HN NH2 31 2HN NH2 31 -4.398 -15.575 -2.961
Start of MODEL 9
1 HA PCA 1 HA PCA 1 0.512 8.952 5.876
2 1HB PCA 1 3HB PCA 1 2.772 8.358 6.304
3 2HB PCA 1 2HB PCA 1 1.984 7.133 7.343
4 1HG PCA 1 2HG PCA 1 2.362 8.472 9.291
5 2HG PCA 1 3HG PCA 1 3.769 8.998 8.321
6 H THR 2 H THR 2 -0.749 7.050 6.245
7 HA THR 2 HA THR 2 -2.064 6.791 8.953
8 HB THR 2 HB THR 2 -3.172 5.928 6.301
9 HG1 THR 2 1HG THR 2 -2.995 8.268 6.811
10 1HG2 THR 2 1HG2 THR 2 -5.290 5.722 7.659
11 2HG2 THR 2 2HG2 THR 2 -4.058 4.650 8.334
12 3HG2 THR 2 3HG2 THR 2 -4.402 6.207 9.107
13 H GLN 3 H GLN 3 -2.525 4.090 7.042
14 HA GLN 3 HA GLN 3 -0.473 2.470 8.313
15 2HB GLN 3 2HB GLN 3 -0.787 0.974 6.323
16 2HG GLN 3 2HG GLN 3 -3.493 1.731 7.573
17 1HE2 GLN 3 1HE2 GLN 3 -4.416 -0.206 8.393
18 2HE2 GLN 3 2HE2 GLN 3 -4.434 -1.496 7.246
19 H CYS 4 H CYS 4 -0.686 4.430 5.390
20 HA CYS 4 HA CYS 4 2.224 4.214 4.876
21 2HB CYS 4 2HB CYS 4 1.227 2.781 3.302
22 H GLN 5 H GLN 5 3.145 6.010 3.993
23 HA GLN 5 HA GLN 5 1.783 8.609 4.005
24 2HB GLN 5 2HB GLN 5 4.429 8.004 2.690
25 2HG GLN 5 2HG GLN 5 3.550 10.274 4.534
26 1HE2 GLN 5 1HE2 GLN 5 6.077 9.262 4.835
27 2HE2 GLN 5 2HE2 GLN 5 7.230 10.291 4.001
28 H SER 6 H SER 6 2.787 6.194 1.577
29 HA SER 6 HA SER 6 1.042 7.123 -0.505
30 2HB SER 6 2HB SER 6 3.016 7.691 -2.076
31 HG SER 6 HG SER 6 2.088 9.328 -0.004
32 H VAL 7 H VAL 7 1.740 5.732 -2.630
33 HA VAL 7 HA VAL 7 1.711 3.114 -1.895
34 HB VAL 7 HB VAL 7 1.022 4.199 -4.038
35 1HG1 VAL 7 1HG1 VAL 7 3.197 5.408 -4.526
36 2HG1 VAL 7 2HG1 VAL 7 3.906 3.822 -4.927
37 3HG1 VAL 7 3HG1 VAL 7 2.553 4.453 -5.872
38 1HG2 VAL 7 1HG2 VAL 7 1.060 1.802 -3.693
39 2HG2 VAL 7 2HG2 VAL 7 1.437 2.225 -5.379
40 3HG2 VAL 7 3HG2 VAL 7 2.743 1.723 -4.273
41 H ARG 8 H ARG 8 4.573 5.083 -2.541
42 HA ARG 8 HA ARG 8 6.603 3.126 -2.540
43 2HB ARG 8 2HB ARG 8 7.936 5.000 -1.326
44 2HG ARG 8 2HG ARG 8 8.181 4.549 -3.713
45 2HD ARG 8 2HD ARG 8 5.869 6.515 -3.992
46 HE ARG 8 HE ARG 8 7.246 7.228 -5.688
47 1HH1 ARG 8 2HH2 ARG 8 6.922 3.677 -5.938
48 2HH1 ARG 8 1HH2 ARG 8 7.357 3.639 -7.612
49 1HH2 ARG 8 1HH1 ARG 8 7.928 7.136 -7.870
50 2HH2 ARG 8 2HH1 ARG 8 8.019 5.619 -8.702
51 H ASP 9 H ASP 9 4.680 4.338 0.217
52 HA ASP 9 HA ASP 9 6.366 3.147 2.225
53 2HB ASP 9 2HB ASP 9 3.476 3.195 2.820
54 H CYS 10 H CYS 10 3.329 2.155 0.513
55 HA CYS 10 HA CYS 10 3.322 -0.403 1.730
56 2HB CYS 10 2HB CYS 10 2.427 -0.540 -0.948
57 H GLN 11 H GLN 11 5.177 0.773 -1.050
58 HA GLN 11 HA GLN 11 5.997 -1.744 -2.010
59 2HB GLN 11 2HB GLN 11 8.064 -0.628 -2.810
60 2HG GLN 11 2HG GLN 11 5.427 0.789 -3.376
61 1HE2 GLN 11 1HE2 GLN 11 8.502 -0.247 -4.967
62 2HE2 GLN 11 2HE2 GLN 11 8.725 1.238 -5.863
63 H GLN 12 H GLN 12 7.163 -0.076 1.045
64 HA GLN 12 HA GLN 12 9.214 -2.107 1.370
65 2HB GLN 12 2HB GLN 12 9.872 -0.038 2.163
66 2HG GLN 12 2HG GLN 12 7.281 0.018 3.696
67 1HE2 GLN 12 1HE2 GLN 12 7.114 2.471 4.802
68 2HE2 GLN 12 2HE2 GLN 12 8.496 2.750 5.840
69 H TYR 13 H TYR 13 5.841 -1.513 2.392
70 HA TYR 13 HA TYR 13 5.846 -3.702 4.310
71 2HB TYR 13 2HB TYR 13 3.338 -3.571 4.023
72 HD1 TYR 13 1HD TYR 13 3.926 -3.344 6.426
73 HD2 TYR 13 2HD TYR 13 4.011 0.001 3.717
74 HE1 TYR 13 1HE TYR 13 3.432 -1.790 8.296
75 HE2 TYR 13 2HE TYR 13 3.561 1.538 5.567
76 HH TYR 13 HH TYR 13 2.687 1.641 7.699
77 H CYS 14 H CYS 14 5.423 -3.651 0.794
78 HA CYS 14 HA CYS 14 4.555 -6.499 0.715
79 2HB CYS 14 2HB CYS 14 2.792 -5.568 -1.020
80 H LEU 15 H LEU 15 5.306 -7.551 -1.065
81 HA LEU 15 HA LEU 15 7.260 -6.318 -2.773
82 2HB LEU 15 2HB LEU 15 7.090 -8.453 -4.027
83 HG LEU 15 HG LEU 15 8.617 -7.824 -1.963
84 1HD1 LEU 15 1HD1 LEU 15 7.067 -8.321 -0.150
85 2HD1 LEU 15 2HD1 LEU 15 6.820 -9.976 -0.762
86 3HD1 LEU 15 3HD1 LEU 15 8.399 -9.477 -0.119
87 1HD2 LEU 15 1HD2 LEU 15 9.164 -9.359 -3.705
88 2HD2 LEU 15 2HD2 LEU 15 9.651 -10.031 -2.137
89 3HD2 LEU 15 3HD2 LEU 15 8.190 -10.651 -2.954
90 H THR 16 H THR 16 3.748 -6.666 -3.054
91 HA THR 16 HA THR 16 3.883 -5.108 -5.555
92 HB THR 16 HB THR 16 2.322 -7.713 -5.533
93 HG1 THR 16 1HG THR 16 4.962 -7.102 -6.234
94 1HG2 THR 16 1HG2 THR 16 2.231 -7.271 -7.966
95 2HG2 THR 16 2HG2 THR 16 1.494 -5.929 -7.066
96 3HG2 THR 16 3HG2 THR 16 3.130 -5.755 -7.737
97 HA PRO 17 HA PRO 17 0.636 -3.840 -2.716
98 2HB PRO 17 2HB PRO 17 1.379 -2.091 -1.712
99 2HG PRO 17 2HG PRO 17 3.707 -1.740 -2.105
100 2HD PRO 17 2HD PRO 17 3.370 -3.818 -2.353
101 H ASP 18 H ASP 18 -1.344 -2.732 -3.223
102 HA ASP 18 HA ASP 18 -2.085 -2.518 -6.066
103 2HB ASP 18 2HB ASP 18 -3.745 -2.212 -3.536
104 H ARG 19 H ARG 19 -2.512 -0.649 -2.975
105 HA ARG 19 HA ARG 19 -1.447 1.788 -4.190
106 2HB ARG 19 2HB ARG 19 -3.520 2.456 -4.981
107 2HG ARG 19 2HG ARG 19 -4.859 0.601 -2.981
108 2HD ARG 19 2HD ARG 19 -5.938 1.838 -5.576
109 HE ARG 19 HE ARG 19 -6.425 -0.510 -4.982
110 1HH1 ARG 19 2HH2 ARG 19 -8.674 1.784 -3.522
111 2HH1 ARG 19 1HH2 ARG 19 -9.397 0.553 -2.506
112 1HH2 ARG 19 1HH1 ARG 19 -7.333 -1.983 -3.992
113 2HH2 ARG 19 2HH1 ARG 19 -8.759 -1.781 -2.961
114 H CYS 20 H CYS 20 -1.162 3.384 -2.654
115 HA CYS 20 HA CYS 20 -1.910 2.862 0.185
116 2HB CYS 20 2HB CYS 20 -0.530 5.251 -1.068
117 H SER 21 H SER 21 -4.158 3.092 0.322
118 HA SER 21 HA SER 21 -5.438 5.447 -0.839
119 2HB SER 21 2HB SER 21 -7.107 3.730 -1.922
120 HG SER 21 HG SER 21 -4.665 4.758 -2.844
121 H TYR 22 H TYR 22 -7.353 5.931 0.211
122 HA TYR 22 HA TYR 22 -8.657 6.049 2.075
123 2HB TYR 22 2HB TYR 22 -8.872 3.108 1.966
124 HD1 TYR 22 1HD TYR 22 -10.027 2.735 4.066
125 HD2 TYR 22 2HD TYR 22 -11.308 5.886 1.409
126 HE1 TYR 22 1HE TYR 22 -12.042 3.082 5.449
127 HE2 TYR 22 2HE TYR 22 -13.337 6.221 2.798
128 HH TYR 22 HH TYR 22 -13.993 4.288 5.728
129 H GLY 23 H GLY 23 -5.974 6.199 2.638
130 1HA GLY 23 2HA GLY 23 -4.438 6.113 4.301
131 2HA GLY 23 3HA GLY 23 -5.777 5.747 5.398
132 H THR 24 H THR 24 -5.434 3.402 2.916
133 HA THR 24 HA THR 24 -4.238 1.461 4.801
134 HB THR 24 HB THR 24 -6.311 1.066 2.598
135 HG1 THR 24 1HG THR 24 -7.112 2.295 4.365
136 1HG2 THR 24 1HG2 THR 24 -5.009 -0.989 3.124
137 2HG2 THR 24 2HG2 THR 24 -5.431 -0.792 4.842
138 3HG2 THR 24 3HG2 THR 24 -6.700 -1.105 3.645
139 H CYS 25 H CYS 25 -2.472 0.284 3.983
140 HA CYS 25 HA CYS 25 -1.647 0.901 1.184
141 2HB CYS 25 2HB CYS 25 -0.106 0.926 3.414
142 H TYR 26 H TYR 26 -3.167 -0.117 0.120
143 HA TYR 26 HA TYR 26 -4.148 -2.809 0.601
144 2HB TYR 26 2HB TYR 26 -4.959 -2.426 -1.810
145 HD1 TYR 26 1HD TYR 26 -5.414 0.916 -0.371
146 HD2 TYR 26 2HD TYR 26 -6.917 -3.111 -0.626
147 HE1 TYR 26 1HE TYR 26 -7.747 1.757 -0.237
148 HE2 TYR 26 2HE TYR 26 -9.233 -2.260 -0.472
149 HH TYR 26 HH TYR 26 -10.107 1.074 -0.236
150 H CYS 27 H CYS 27 -3.287 -4.739 -0.275
151 HA CYS 27 HA CYS 27 -1.219 -4.536 -2.351
152 2HB CYS 27 2HB CYS 27 0.145 -6.163 -1.319
153 H LYS 28 H LYS 28 -1.127 -6.226 -3.863
154 HA LYS 28 HA LYS 28 -3.790 -7.398 -4.255
155 2HB LYS 28 2HB LYS 28 -2.869 -8.112 -6.416
156 2HG LYS 28 2HG LYS 28 -2.158 -5.207 -5.811
157 2HD LYS 28 2HD LYS 28 -3.149 -6.661 -8.307
158 2HE LYS 28 2HE LYS 28 -2.743 -3.686 -7.731
159 1HZ LYS 28 1HZ LYS 28 -3.552 -3.332 -9.888
160 2HZ LYS 28 2HZ LYS 28 -2.154 -4.192 -9.966
161 3HZ LYS 28 3HZ LYS 28 -3.604 -4.942 -10.230
162 H THR 29 H THR 29 -2.936 -8.483 -1.974
163 HA THR 29 HA THR 29 -1.695 -11.122 -2.526
164 HB THR 29 HB THR 29 -0.913 -9.879 -0.618
165 HG1 THR 29 1HG THR 29 -0.942 -12.138 -0.527
166 1HG2 THR 29 1HG2 THR 29 -3.680 -10.116 0.630
167 2HG2 THR 29 2HG2 THR 29 -2.205 -9.524 1.397
168 3HG2 THR 29 3HG2 THR 29 -2.926 -8.609 0.070
169 H THR 30 H THR 30 -3.654 -11.161 -4.116
170 HA THR 30 HA THR 30 -5.568 -13.047 -3.208
171 HB THR 30 HB THR 30 -6.614 -11.151 -2.049
172 HG1 THR 30 1HG THR 30 -8.614 -11.361 -2.948
173 1HG2 THR 30 1HG2 THR 30 -7.497 -9.210 -3.265
174 2HG2 THR 30 2HG2 THR 30 -5.736 -9.269 -3.404
175 3HG2 THR 30 3HG2 THR 30 -6.753 -9.775 -4.770
176 1HN NH2 31 H NH2 31 -7.500 -12.716 -5.114
177 2HN NH2 31 2HN NH2 31 -6.773 -12.792 -6.725
Start of MODEL 10
1 HA PCA 1 HA PCA 1 1.406 9.262 9.112
2 1HB PCA 1 3HB PCA 1 1.087 11.522 9.562
3 2HB PCA 1 2HB PCA 1 -0.393 10.951 10.378
4 1HG PCA 1 2HG PCA 1 -1.732 11.528 8.483
5 2HG PCA 1 3HG PCA 1 -0.449 12.765 8.306
6 H THR 2 H THR 2 -0.661 7.836 7.297
7 HA THR 2 HA THR 2 -2.315 6.625 9.480
8 HB THR 2 HB THR 2 -2.934 6.461 6.533
9 HG1 THR 2 1HG THR 2 -4.292 8.254 6.866
10 1HG2 THR 2 1HG2 THR 2 -5.243 6.127 7.429
11 2HG2 THR 2 2HG2 THR 2 -4.169 4.979 8.243
12 3HG2 THR 2 3HG2 THR 2 -4.671 6.461 9.071
13 H GLN 3 H GLN 3 -2.536 4.414 7.095
14 HA GLN 3 HA GLN 3 -0.360 2.771 8.137
15 2HB GLN 3 2HB GLN 3 -0.869 1.298 6.234
16 2HG GLN 3 2HG GLN 3 -3.507 2.145 7.574
17 1HE2 GLN 3 1HE2 GLN 3 -4.461 0.269 8.469
18 2HE2 GLN 3 2HE2 GLN 3 -4.538 -1.063 7.372
19 H CYS 4 H CYS 4 -0.816 5.024 5.441
20 HA CYS 4 HA CYS 4 2.020 5.026 4.740
21 2HB CYS 4 2HB CYS 4 1.232 3.144 3.399
22 H GLN 5 H GLN 5 2.376 6.572 3.054
23 HA GLN 5 HA GLN 5 0.316 8.730 2.764
24 2HB GLN 5 2HB GLN 5 2.145 10.294 2.502
25 2HG GLN 5 2HG GLN 5 2.746 8.648 4.995
26 1HE2 GLN 5 1HE2 GLN 5 1.431 11.904 5.015
27 2HE2 GLN 5 2HE2 GLN 5 2.949 12.713 5.390
28 H SER 6 H SER 6 2.565 6.451 1.132
29 HA SER 6 HA SER 6 1.330 7.071 -1.452
30 2HB SER 6 2HB SER 6 3.697 7.524 -2.424
31 HG SER 6 HG SER 6 2.117 9.297 -0.941
32 H VAL 7 H VAL 7 1.996 5.447 -3.073
33 HA VAL 7 HA VAL 7 1.827 2.977 -2.127
34 HB VAL 7 HB VAL 7 1.515 3.849 -4.454
35 1HG1 VAL 7 1HG1 VAL 7 3.777 4.876 -4.778
36 2HG1 VAL 7 2HG1 VAL 7 4.478 3.242 -4.849
37 3HG1 VAL 7 3HG1 VAL 7 3.310 3.760 -6.072
38 1HG2 VAL 7 1HG2 VAL 7 1.928 1.717 -5.522
39 2HG2 VAL 7 2HG2 VAL 7 3.021 1.238 -4.199
40 3HG2 VAL 7 3HG2 VAL 7 1.291 1.517 -3.876
41 H ARG 8 H ARG 8 4.923 4.610 -2.600
42 HA ARG 8 HA ARG 8 6.797 2.595 -2.301
43 2HB ARG 8 2HB ARG 8 8.198 4.312 -1.162
44 2HG ARG 8 2HG ARG 8 6.661 5.372 -3.580
45 2HD ARG 8 2HD ARG 8 9.452 5.956 -2.459
46 HE ARG 8 HE ARG 8 8.505 7.508 -4.720
47 1HH1 ARG 8 2HH2 ARG 8 10.171 4.525 -3.890
48 2HH1 ARG 8 1HH2 ARG 8 11.127 4.443 -5.338
49 1HH2 ARG 8 1HH1 ARG 8 9.724 7.437 -6.687
50 2HH2 ARG 8 2HH1 ARG 8 10.837 6.143 -6.980
51 H ASP 9 H ASP 9 4.859 4.106 0.348
52 HA ASP 9 HA ASP 9 6.112 2.918 2.583
53 2HB ASP 9 2HB ASP 9 3.694 3.347 3.465
54 H CYS 10 H CYS 10 3.355 1.899 0.484
55 HA CYS 10 HA CYS 10 3.163 -0.624 1.870
56 2HB CYS 10 2HB CYS 10 2.270 -0.684 -0.838
57 H GLN 11 H GLN 11 5.076 0.487 -0.941
58 HA GLN 11 HA GLN 11 5.731 -2.118 -1.900
59 2HB GLN 11 2HB GLN 11 7.804 -1.131 -2.800
60 2HG GLN 11 2HG GLN 11 5.323 0.563 -3.285
61 1HE2 GLN 11 1HE2 GLN 11 7.783 -1.079 -5.332
62 2HE2 GLN 11 2HE2 GLN 11 8.280 0.383 -6.163
63 H GLN 12 H GLN 12 7.032 -0.251 0.851
64 HA GLN 12 HA GLN 12 9.082 -2.186 1.519
65 2HB GLN 12 2HB GLN 12 9.024 -1.146 3.746
66 2HG GLN 12 2HG GLN 12 8.912 1.352 2.379
67 1HE2 GLN 12 1HE2 GLN 12 11.174 -1.489 2.383
68 2HE2 GLN 12 2HE2 GLN 12 12.456 -0.634 3.222
69 H TYR 13 H TYR 13 5.651 -1.765 2.381
70 HA TYR 13 HA TYR 13 5.559 -3.837 4.336
71 2HB TYR 13 2HB TYR 13 3.170 -2.865 2.764
72 HD1 TYR 13 1HD TYR 13 1.458 -4.256 3.679
73 HD2 TYR 13 2HD TYR 13 4.358 -2.438 6.298
74 HE1 TYR 13 1HE TYR 13 0.181 -5.050 5.635
75 HE2 TYR 13 2HE TYR 13 3.063 -3.225 8.266
76 HH TYR 13 HH TYR 13 0.058 -5.130 7.934
77 H CYS 14 H CYS 14 4.993 -3.931 0.887
78 HA CYS 14 HA CYS 14 3.994 -6.749 0.878
79 2HB CYS 14 2HB CYS 14 2.312 -5.719 -0.921
80 H LEU 15 H LEU 15 4.383 -7.855 -1.026
81 HA LEU 15 HA LEU 15 6.578 -6.987 -2.594
82 2HB LEU 15 2HB LEU 15 4.647 -9.138 -3.513
83 HG LEU 15 HG LEU 15 6.588 -10.418 -4.041
84 1HD1 LEU 15 1HD1 LEU 15 5.943 -8.703 -5.749
85 2HD1 LEU 15 2HD1 LEU 15 7.223 -7.643 -5.108
86 3HD1 LEU 15 3HD1 LEU 15 7.639 -9.204 -5.822
87 1HD2 LEU 15 1HD2 LEU 15 8.012 -9.734 -2.125
88 2HD2 LEU 15 2HD2 LEU 15 8.877 -9.761 -3.669
89 3HD2 LEU 15 3HD2 LEU 15 8.392 -8.214 -2.963
90 H THR 16 H THR 16 3.038 -7.263 -3.453
91 HA THR 16 HA THR 16 3.525 -5.167 -5.551
92 HB THR 16 HB THR 16 1.672 -7.542 -5.871
93 HG1 THR 16 1HG THR 16 3.902 -8.118 -5.863
94 1HG2 THR 16 1HG2 THR 16 2.737 -5.441 -7.811
95 2HG2 THR 16 2HG2 THR 16 1.662 -6.795 -8.221
96 3HG2 THR 16 3HG2 THR 16 1.083 -5.490 -7.167
97 HA PRO 17 HA PRO 17 0.358 -3.823 -2.692
98 2HB PRO 17 2HB PRO 17 1.100 -2.117 -1.659
99 2HG PRO 17 2HG PRO 17 3.476 -1.909 -2.001
100 2HD PRO 17 2HD PRO 17 2.961 -3.968 -2.263
101 H ASP 18 H ASP 18 -1.692 -2.892 -3.222
102 HA ASP 18 HA ASP 18 -2.452 -2.670 -6.035
103 2HB ASP 18 2HB ASP 18 -4.102 -2.048 -3.535
104 H ARG 19 H ARG 19 -2.636 -0.639 -3.027
105 HA ARG 19 HA ARG 19 -1.503 1.699 -4.365
106 2HB ARG 19 2HB ARG 19 -3.585 2.456 -5.047
107 2HG ARG 19 2HG ARG 19 -4.923 0.746 -2.926
108 2HD ARG 19 2HD ARG 19 -5.976 2.022 -5.506
109 HE ARG 19 HE ARG 19 -6.607 -0.479 -4.380
110 1HH1 ARG 19 2HH2 ARG 19 -8.433 2.228 -5.695
111 2HH1 ARG 19 1HH2 ARG 19 -9.494 1.209 -6.629
112 1HH2 ARG 19 1HH1 ARG 19 -7.698 -1.716 -5.559
113 2HH2 ARG 19 2HH1 ARG 19 -9.143 -1.244 -6.471
114 H CYS 20 H CYS 20 -1.075 3.327 -2.866
115 HA CYS 20 HA CYS 20 -1.812 2.897 -0.009
116 2HB CYS 20 2HB CYS 20 -0.321 5.204 -1.296
117 H SER 21 H SER 21 -4.005 3.416 0.251
118 HA SER 21 HA SER 21 -5.140 5.773 -1.035
119 2HB SER 21 2HB SER 21 -6.965 4.075 -1.971
120 HG SER 21 HG SER 21 -4.499 4.889 -3.069
121 H TYR 22 H TYR 22 -7.059 6.391 0.060
122 HA TYR 22 HA TYR 22 -8.349 6.581 1.942
123 2HB TYR 22 2HB TYR 22 -8.435 3.629 1.981
124 HD1 TYR 22 1HD TYR 22 -9.491 3.082 4.033
125 HD2 TYR 22 2HD TYR 22 -11.007 6.327 1.629
126 HE1 TYR 22 1HE TYR 22 -11.510 3.184 5.446
127 HE2 TYR 22 2HE TYR 22 -13.032 6.430 3.059
128 HH TYR 22 HH TYR 22 -13.547 4.206 5.805
129 H GLY 23 H GLY 23 -5.526 6.663 2.334
130 1HA GLY 23 2HA GLY 23 -3.867 6.540 3.894
131 2HA GLY 23 3HA GLY 23 -5.161 6.518 5.100
132 H THR 24 H THR 24 -5.037 3.927 2.770
133 HA THR 24 HA THR 24 -4.118 1.979 4.801
134 HB THR 24 HB THR 24 -6.316 1.738 2.705
135 HG1 THR 24 1HG THR 24 -6.884 3.080 4.471
136 1HG2 THR 24 1HG2 THR 24 -6.900 -0.352 3.813
137 2HG2 THR 24 2HG2 THR 24 -5.238 -0.445 3.207
138 3HG2 THR 24 3HG2 THR 24 -5.545 -0.175 4.939
139 H CYS 25 H CYS 25 -2.590 0.497 3.994
140 HA CYS 25 HA CYS 25 -1.688 0.960 1.187
141 2HB CYS 25 2HB CYS 25 -0.187 0.937 3.477
142 H TYR 26 H TYR 26 -3.094 -0.062 0.025
143 HA TYR 26 HA TYR 26 -4.292 -2.662 0.699
144 2HB TYR 26 2HB TYR 26 -5.310 -2.198 -1.638
145 HD1 TYR 26 1HD TYR 26 -5.608 1.206 -0.598
146 HD2 TYR 26 2HD TYR 26 -6.857 -2.801 0.363
147 HE1 TYR 26 1HE TYR 26 -7.768 2.073 0.264
148 HE2 TYR 26 2HE TYR 26 -8.891 -1.898 1.462
149 HH TYR 26 HH TYR 26 -9.636 1.595 1.532
150 H CYS 27 H CYS 27 -3.712 -4.646 -0.346
151 HA CYS 27 HA CYS 27 -1.418 -4.479 -2.180
152 2HB CYS 27 2HB CYS 27 -0.339 -6.274 -1.172
153 H LYS 28 H LYS 28 -1.372 -5.512 -4.003
154 HA LYS 28 HA LYS 28 -3.361 -7.636 -4.597
155 2HB LYS 28 2HB LYS 28 -2.136 -7.574 -6.838
156 2HG LYS 28 2HG LYS 28 -2.909 -5.107 -7.351
157 2HD LYS 28 2HD LYS 28 -4.790 -7.374 -6.530
158 2HE LYS 28 2HE LYS 28 -6.171 -5.401 -6.645
159 1HZ LYS 28 1HZ LYS 28 -6.197 -4.083 -8.687
160 2HZ LYS 28 2HZ LYS 28 -4.879 -3.880 -7.774
161 3HZ LYS 28 3HZ LYS 28 -4.774 -4.777 -9.166
162 H THR 29 H THR 29 -2.116 -8.459 -2.502
163 HA THR 29 HA THR 29 -0.183 -10.469 -3.426
164 HB THR 29 HB THR 29 0.640 -8.608 -1.154
165 HG1 THR 29 1HG THR 29 0.955 -8.375 -3.879
166 1HG2 THR 29 1HG2 THR 29 2.188 -10.700 -2.757
167 2HG2 THR 29 2HG2 THR 29 2.845 -9.669 -1.470
168 3HG2 THR 29 3HG2 THR 29 1.634 -10.896 -1.081
169 H THR 30 H THR 30 -2.649 -11.046 -2.931
170 HA THR 30 HA THR 30 -3.112 -11.758 -0.110
171 HB THR 30 HB THR 30 -5.294 -12.544 -1.236
172 HG1 THR 30 1HG THR 30 -5.551 -11.637 -3.361
173 1HG2 THR 30 1HG2 THR 30 -6.157 -10.246 -1.507
174 2HG2 THR 30 2HG2 THR 30 -5.097 -10.345 -0.090
175 3HG2 THR 30 3HG2 THR 30 -4.502 -9.608 -1.592
176 1HN NH2 31 H NH2 31 -3.478 -13.445 -3.231
177 2HN NH2 31 2HN NH2 31 -2.758 -14.978 -2.721
Start of MODEL 11
1 HA PCA 1 HA PCA 1 0.177 9.640 10.879
2 1HB PCA 1 3HB PCA 1 2.427 9.167 11.341
3 2HB PCA 1 2HB PCA 1 2.485 8.834 9.588
4 1HG PCA 1 2HG PCA 1 2.302 6.478 9.971
5 2HG PCA 1 3HG PCA 1 3.162 6.945 11.470
6 H THR 2 H THR 2 -1.537 7.189 9.974
7 HA THR 2 HA THR 2 -2.691 6.584 8.149
8 HB THR 2 HB THR 2 -0.670 7.717 6.195
9 HG1 THR 2 1HG THR 2 -1.206 9.457 7.400
10 1HG2 THR 2 1HG2 THR 2 -2.655 7.888 4.770
11 2HG2 THR 2 2HG2 THR 2 -2.465 6.227 5.361
12 3HG2 THR 2 3HG2 THR 2 -3.687 7.300 6.091
13 H GLN 3 H GLN 3 -2.425 4.535 7.143
14 HA GLN 3 HA GLN 3 -0.292 2.851 7.964
15 2HB GLN 3 2HB GLN 3 -0.940 1.400 6.039
16 2HG GLN 3 2HG GLN 3 -3.488 2.309 7.492
17 1HE2 GLN 3 1HE2 GLN 3 -4.523 0.499 8.340
18 2HE2 GLN 3 2HE2 GLN 3 -4.573 -0.879 7.301
19 H CYS 4 H CYS 4 -0.711 4.830 5.054
20 HA CYS 4 HA CYS 4 2.131 4.718 4.374
21 2HB CYS 4 2HB CYS 4 1.231 2.831 3.103
22 H GLN 5 H GLN 5 2.614 6.363 2.873
23 HA GLN 5 HA GLN 5 0.497 8.437 2.406
24 2HB GLN 5 2HB GLN 5 2.223 10.141 2.685
25 2HG GLN 5 2HG GLN 5 2.128 8.246 5.089
26 1HE2 GLN 5 1HE2 GLN 5 1.609 9.746 7.136
27 2HE2 GLN 5 2HE2 GLN 5 2.743 11.083 7.269
28 H SER 6 H SER 6 2.662 6.165 0.957
29 HA SER 6 HA SER 6 1.894 7.143 -1.690
30 2HB SER 6 2HB SER 6 4.417 7.059 -2.342
31 HG SER 6 HG SER 6 3.172 9.127 -0.916
32 H VAL 7 H VAL 7 2.322 5.369 -3.297
33 HA VAL 7 HA VAL 7 2.053 2.810 -2.355
34 HB VAL 7 HB VAL 7 1.574 3.713 -4.608
35 1HG1 VAL 7 1HG1 VAL 7 4.570 3.515 -5.151
36 2HG1 VAL 7 2HG1 VAL 7 3.299 3.892 -6.321
37 3HG1 VAL 7 3HG1 VAL 7 3.652 5.028 -5.012
38 1HG2 VAL 7 1HG2 VAL 7 2.128 1.730 -5.838
39 2HG2 VAL 7 2HG2 VAL 7 3.395 1.306 -4.661
40 3HG2 VAL 7 3HG2 VAL 7 1.682 1.327 -4.163
41 H ARG 8 H ARG 8 4.991 4.655 -2.721
42 HA ARG 8 HA ARG 8 7.147 2.940 -2.446
43 2HB ARG 8 2HB ARG 8 8.088 4.676 -0.930
44 2HG ARG 8 2HG ARG 8 6.589 5.779 -3.356
45 2HD ARG 8 2HD ARG 8 8.846 6.969 -1.690
46 HE ARG 8 HE ARG 8 8.301 7.431 -4.373
47 1HH1 ARG 8 2HH2 ARG 8 8.291 9.355 -1.421
48 2HH1 ARG 8 1HH2 ARG 8 8.650 10.865 -2.195
49 1HH2 ARG 8 1HH1 ARG 8 8.790 9.422 -5.456
50 2HH2 ARG 8 2HH1 ARG 8 8.955 10.891 -4.553
51 H ASP 9 H ASP 9 4.913 3.961 0.223
52 HA ASP 9 HA ASP 9 6.215 2.656 2.357
53 2HB ASP 9 2HB ASP 9 3.743 2.991 3.261
54 H CYS 10 H CYS 10 3.315 1.739 0.396
55 HA CYS 10 HA CYS 10 3.175 -0.817 1.634
56 2HB CYS 10 2HB CYS 10 2.267 -0.884 -1.056
57 H GLN 11 H GLN 11 5.080 0.256 -1.185
58 HA GLN 11 HA GLN 11 5.699 -2.368 -2.095
59 2HB GLN 11 2HB GLN 11 7.804 -1.241 -3.023
60 2HG GLN 11 2HG GLN 11 4.992 -0.278 -3.652
61 1HE2 GLN 11 1HE2 GLN 11 6.054 1.903 -3.861
62 2HE2 GLN 11 2HE2 GLN 11 6.835 2.259 -5.406
63 H GLN 12 H GLN 12 6.815 -0.665 0.785
64 HA GLN 12 HA GLN 12 8.995 -2.605 1.250
65 2HB GLN 12 2HB GLN 12 9.180 -1.567 3.422
66 2HG GLN 12 2HG GLN 12 8.830 0.608 1.308
67 1HE2 GLN 12 1HE2 GLN 12 11.327 -0.627 3.631
68 2HE2 GLN 12 2HE2 GLN 12 11.593 0.945 4.371
69 H TYR 13 H TYR 13 5.629 -2.000 2.345
70 HA TYR 13 HA TYR 13 5.672 -4.236 4.190
71 2HB TYR 13 2HB TYR 13 3.247 -3.784 4.404
72 HD1 TYR 13 1HD TYR 13 5.170 -3.345 6.309
73 HD2 TYR 13 2HD TYR 13 3.277 -0.375 3.814
74 HE1 TYR 13 1HE TYR 13 5.675 -1.606 7.983
75 HE2 TYR 13 2HE TYR 13 3.778 1.356 5.499
76 HH TYR 13 HH TYR 13 5.491 0.620 8.549
77 H CYS 14 H CYS 14 5.100 -4.148 0.772
78 HA CYS 14 HA CYS 14 4.067 -6.928 0.700
79 2HB CYS 14 2HB CYS 14 2.366 -5.946 -1.060
80 H LEU 15 H LEU 15 4.790 -7.977 -1.127
81 HA LEU 15 HA LEU 15 6.848 -6.797 -2.684
82 2HB LEU 15 2HB LEU 15 5.246 -9.190 -3.629
83 HG LEU 15 HG LEU 15 7.334 -10.196 -4.143
84 1HD1 LEU 15 1HD1 LEU 15 6.521 -8.498 -5.817
85 2HD1 LEU 15 2HD1 LEU 15 7.693 -7.345 -5.125
86 3HD1 LEU 15 3HD1 LEU 15 8.260 -8.840 -5.875
87 1HD2 LEU 15 1HD2 LEU 15 8.819 -7.824 -2.938
88 2HD2 LEU 15 2HD2 LEU 15 8.618 -9.415 -2.176
89 3HD2 LEU 15 3HD2 LEU 15 9.521 -9.263 -3.692
90 H THR 16 H THR 16 3.389 -7.439 -3.407
91 HA THR 16 HA THR 16 3.551 -5.492 -5.683
92 HB THR 16 HB THR 16 1.882 -8.025 -5.689
93 HG1 THR 16 1HG THR 16 4.192 -8.378 -5.782
94 1HG2 THR 16 1HG2 THR 16 1.081 -6.116 -7.110
95 2HG2 THR 16 2HG2 THR 16 2.685 -6.033 -7.863
96 3HG2 THR 16 3HG2 THR 16 1.675 -7.478 -8.086
97 HA PRO 17 HA PRO 17 0.374 -4.120 -2.806
98 2HB PRO 17 2HB PRO 17 1.136 -2.373 -1.829
99 2HG PRO 17 2HG PRO 17 3.476 -2.089 -2.234
100 2HD PRO 17 2HD PRO 17 3.031 -4.176 -2.401
101 H ASP 18 H ASP 18 -1.612 -3.020 -3.308
102 HA ASP 18 HA ASP 18 -2.415 -3.005 -6.127
103 2HB ASP 18 2HB ASP 18 -4.079 -2.384 -3.646
104 H ARG 19 H ARG 19 -2.646 -0.888 -3.202
105 HA ARG 19 HA ARG 19 -1.570 1.420 -4.628
106 2HB ARG 19 2HB ARG 19 -3.669 2.124 -5.329
107 2HG ARG 19 2HG ARG 19 -4.956 0.451 -3.149
108 2HD ARG 19 2HD ARG 19 -6.091 1.639 -5.734
109 HE ARG 19 HE ARG 19 -6.629 -0.842 -4.516
110 1HH1 ARG 19 2HH2 ARG 19 -8.579 1.758 -5.867
111 2HH1 ARG 19 1HH2 ARG 19 -9.605 0.674 -6.768
112 1HH2 ARG 19 1HH1 ARG 19 -7.672 -2.149 -5.678
113 2HH2 ARG 19 2HH1 ARG 19 -9.139 -1.755 -6.582
114 H CYS 20 H CYS 20 -1.151 3.089 -3.178
115 HA CYS 20 HA CYS 20 -1.827 2.712 -0.299
116 2HB CYS 20 2HB CYS 20 -0.263 4.938 -1.654
117 H SER 21 H SER 21 -4.034 3.202 -0.058
118 HA SER 21 HA SER 21 -5.194 5.547 -1.344
119 2HB SER 21 2HB SER 21 -6.971 3.856 -2.325
120 HG SER 21 HG SER 21 -4.484 4.669 -3.354
121 H TYR 22 H TYR 22 -7.218 6.070 -0.372
122 HA TYR 22 HA TYR 22 -8.553 6.278 1.471
123 2HB TYR 22 2HB TYR 22 -8.587 3.327 1.490
124 HD1 TYR 22 1HD TYR 22 -9.657 2.647 3.485
125 HD2 TYR 22 2HD TYR 22 -11.144 6.074 1.324
126 HE1 TYR 22 1HE TYR 22 -11.607 2.769 5.007
127 HE2 TYR 22 2HE TYR 22 -13.080 6.200 2.858
128 HH TYR 22 HH TYR 22 -14.141 5.266 4.681
129 H GLY 23 H GLY 23 -5.816 6.493 2.005
130 1HA GLY 23 2HA GLY 23 -4.226 6.444 3.604
131 2HA GLY 23 3HA GLY 23 -5.558 6.388 4.775
132 H THR 24 H THR 24 -5.095 3.785 2.462
133 HA THR 24 HA THR 24 -4.170 1.924 4.568
134 HB THR 24 HB THR 24 -6.318 1.521 2.438
135 HG1 THR 24 1HG THR 24 -7.011 2.847 4.155
136 1HG2 THR 24 1HG2 THR 24 -5.144 -0.596 2.991
137 2HG2 THR 24 2HG2 THR 24 -5.479 -0.311 4.716
138 3HG2 THR 24 3HG2 THR 24 -6.813 -0.576 3.582
139 H CYS 25 H CYS 25 -2.595 0.447 3.812
140 HA CYS 25 HA CYS 25 -1.704 0.832 0.983
141 2HB CYS 25 2HB CYS 25 -0.165 0.838 3.251
142 H TYR 26 H TYR 26 -3.097 -0.226 -0.166
143 HA TYR 26 HA TYR 26 -4.272 -2.823 0.575
144 2HB TYR 26 2HB TYR 26 -5.284 -2.458 -1.767
145 HD1 TYR 26 1HD TYR 26 -5.599 0.990 -0.872
146 HD2 TYR 26 2HD TYR 26 -6.861 -2.980 0.212
147 HE1 TYR 26 1HE TYR 26 -7.802 1.874 -0.151
148 HE2 TYR 26 2HE TYR 26 -8.943 -2.047 1.188
149 HH TYR 26 HH TYR 26 -9.735 1.433 1.038
150 H CYS 27 H CYS 27 -3.688 -4.818 -0.464
151 HA CYS 27 HA CYS 27 -1.469 -4.698 -2.380
152 2HB CYS 27 2HB CYS 27 -0.311 -6.453 -1.339
153 H LYS 28 H LYS 28 -1.241 -6.289 -3.953
154 HA LYS 28 HA LYS 28 -3.856 -7.367 -4.763
155 2HB LYS 28 2HB LYS 28 -2.722 -7.980 -6.810
156 2HG LYS 28 2HG LYS 28 -1.716 -5.229 -6.030
157 2HD LYS 28 2HD LYS 28 -2.748 -6.332 -8.693
158 2HE LYS 28 2HE LYS 28 -1.513 -4.342 -9.623
159 1HZ LYS 28 1HZ LYS 28 -3.661 -3.612 -7.714
160 2HZ LYS 28 2HZ LYS 28 -3.086 -2.651 -8.884
161 3HZ LYS 28 3HZ LYS 28 -3.859 -4.052 -9.269
162 H THR 29 H THR 29 -3.617 -8.625 -2.535
163 HA THR 29 HA THR 29 -3.275 -11.360 -3.165
164 HB THR 29 HB THR 29 -0.902 -10.973 -2.872
165 HG1 THR 29 1HG THR 29 -0.589 -12.390 -1.143
166 1HG2 THR 29 1HG2 THR 29 0.078 -10.107 -0.795
167 2HG2 THR 29 2HG2 THR 29 -0.940 -8.874 -1.553
168 3HG2 THR 29 3HG2 THR 29 -1.533 -9.770 -0.137
169 H THR 30 H THR 30 -4.555 -12.446 -1.780
170 HA THR 30 HA THR 30 -5.319 -11.685 0.835
171 HB THR 30 HB THR 30 -6.617 -9.922 -0.286
172 HG1 THR 30 1HG THR 30 -8.583 -10.459 0.604
173 1HG2 THR 30 1HG2 THR 30 -8.454 -10.449 -1.829
174 2HG2 THR 30 2HG2 THR 30 -6.911 -10.962 -2.524
175 3HG2 THR 30 3HG2 THR 30 -8.012 -12.166 -1.822
176 1HN NH2 31 H NH2 31 -7.660 -13.062 1.071
177 2HN NH2 31 2HN NH2 31 -7.424 -14.747 0.581
Start of MODEL 12
1 HA PCA 1 HA PCA 1 0.578 9.154 5.623
2 1HB PCA 1 3HB PCA 1 0.921 11.437 5.984
3 2HB PCA 1 2HB PCA 1 0.157 11.071 7.558
4 1HG PCA 1 2HG PCA 1 -1.938 11.939 6.803
5 2HG PCA 1 3HG PCA 1 -0.866 12.923 5.765
6 H THR 2 H THR 2 -0.435 7.144 6.066
7 HA THR 2 HA THR 2 -1.644 7.021 8.750
8 HB THR 2 HB THR 2 -3.075 5.686 6.440
9 HG1 THR 2 1HG THR 2 -3.323 8.244 7.463
10 1HG2 THR 2 1HG2 THR 2 -3.902 6.319 9.329
11 2HG2 THR 2 2HG2 THR 2 -4.908 5.503 8.124
12 3HG2 THR 2 3HG2 THR 2 -3.463 4.700 8.754
13 H GLN 3 H GLN 3 -2.150 4.122 7.258
14 HA GLN 3 HA GLN 3 0.079 2.666 8.184
15 2HB GLN 3 2HB GLN 3 -0.448 1.088 6.335
16 2HG GLN 3 2HG GLN 3 -3.080 2.102 7.585
17 1HE2 GLN 3 1HE2 GLN 3 -4.125 0.232 8.488
18 2HE2 GLN 3 2HE2 GLN 3 -4.380 -0.986 7.290
19 H CYS 4 H CYS 4 -0.375 4.636 5.281
20 HA CYS 4 HA CYS 4 2.492 4.569 4.579
21 2HB CYS 4 2HB CYS 4 1.547 2.826 3.193
22 H GLN 5 H GLN 5 2.909 6.171 2.911
23 HA GLN 5 HA GLN 5 1.093 8.544 2.860
24 2HB GLN 5 2HB GLN 5 3.109 9.759 2.110
25 2HG GLN 5 2HG GLN 5 3.531 8.274 4.747
26 1HE2 GLN 5 1HE2 GLN 5 3.842 11.606 3.338
27 2HE2 GLN 5 2HE2 GLN 5 5.457 11.857 3.976
28 H SER 6 H SER 6 2.955 6.096 0.950
29 HA SER 6 HA SER 6 1.288 6.685 -1.389
30 2HB SER 6 2HB SER 6 2.735 8.205 -2.160
31 HG SER 6 HG SER 6 4.236 7.793 -0.219
32 H VAL 7 H VAL 7 2.034 5.312 -3.269
33 HA VAL 7 HA VAL 7 1.655 2.699 -2.467
34 HB VAL 7 HB VAL 7 1.195 3.804 -4.692
35 1HG1 VAL 7 1HG1 VAL 7 4.075 3.085 -5.390
36 2HG1 VAL 7 2HG1 VAL 7 2.840 3.752 -6.464
37 3HG1 VAL 7 3HG1 VAL 7 3.472 4.741 -5.140
38 1HG2 VAL 7 1HG2 VAL 7 0.875 1.469 -4.278
39 2HG2 VAL 7 2HG2 VAL 7 1.410 1.748 -5.952
40 3HG2 VAL 7 3HG2 VAL 7 2.560 1.111 -4.742
41 H ARG 8 H ARG 8 4.690 4.370 -3.164
42 HA ARG 8 HA ARG 8 6.765 2.667 -3.007
43 2HB ARG 8 2HB ARG 8 6.108 5.330 -1.659
44 2HG ARG 8 2HG ARG 8 8.660 5.615 -2.040
45 2HD ARG 8 2HD ARG 8 7.748 4.147 0.478
46 HE ARG 8 HE ARG 8 10.203 5.353 -0.174
47 1HH1 ARG 8 2HH2 ARG 8 7.761 5.406 2.428
48 2HH1 ARG 8 1HH2 ARG 8 8.848 6.012 3.625
49 1HH2 ARG 8 1HH1 ARG 8 11.664 6.136 1.434
50 2HH2 ARG 8 2HH1 ARG 8 11.119 6.396 3.061
51 H ASP 9 H ASP 9 4.683 3.637 -0.205
52 HA ASP 9 HA ASP 9 6.315 2.365 1.797
53 2HB ASP 9 2HB ASP 9 4.128 2.966 3.090
54 H CYS 10 H CYS 10 3.194 1.609 0.123
55 HA CYS 10 HA CYS 10 2.996 -0.943 1.393
56 2HB CYS 10 2HB CYS 10 1.961 -0.996 -1.230
57 H GLN 11 H GLN 11 4.779 0.053 -1.501
58 HA GLN 11 HA GLN 11 5.337 -2.551 -2.463
59 2HB GLN 11 2HB GLN 11 7.422 -1.461 -3.430
60 2HG GLN 11 2HG GLN 11 4.653 -0.260 -3.822
61 1HE2 GLN 11 1HE2 GLN 11 4.549 0.141 -6.436
62 2HE2 GLN 11 2HE2 GLN 11 5.757 1.307 -6.947
63 H GLN 12 H GLN 12 6.473 -1.049 0.481
64 HA GLN 12 HA GLN 12 8.620 -3.067 0.855
65 2HB GLN 12 2HB GLN 12 8.892 -1.884 3.040
66 2HG GLN 12 2HG GLN 12 9.136 -0.464 0.371
67 1HE2 GLN 12 1HE2 GLN 12 8.199 1.586 0.740
68 2HE2 GLN 12 2HE2 GLN 12 8.863 2.685 1.946
69 H TYR 13 H TYR 13 5.359 -2.184 2.116
70 HA TYR 13 HA TYR 13 5.280 -4.332 4.046
71 2HB TYR 13 2HB TYR 13 2.802 -3.923 4.000
72 HD1 TYR 13 1HD TYR 13 3.767 -3.570 6.307
73 HD2 TYR 13 2HD TYR 13 3.586 -0.456 3.338
74 HE1 TYR 13 1HE TYR 13 3.552 -1.852 8.085
75 HE2 TYR 13 2HE TYR 13 3.390 1.232 5.086
76 HH TYR 13 HH TYR 13 2.908 1.579 7.300
77 H CYS 14 H CYS 14 4.652 -4.315 0.591
78 HA CYS 14 HA CYS 14 3.555 -7.077 0.582
79 2HB CYS 14 2HB CYS 14 1.833 -6.058 -1.143
80 H LEU 15 H LEU 15 4.148 -8.176 -1.252
81 HA LEU 15 HA LEU 15 6.168 -7.123 -2.954
82 2HB LEU 15 2HB LEU 15 4.380 -9.445 -3.733
83 HG LEU 15 HG LEU 15 6.370 -10.568 -4.382
84 1HD1 LEU 15 1HD1 LEU 15 6.772 -7.764 -5.477
85 2HD1 LEU 15 2HD1 LEU 15 7.193 -9.306 -6.231
86 3HD1 LEU 15 3HD1 LEU 15 5.487 -8.872 -6.023
87 1HD2 LEU 15 1HD2 LEU 15 8.058 -8.236 -3.386
88 2HD2 LEU 15 2HD2 LEU 15 7.853 -9.791 -2.555
89 3HD2 LEU 15 3HD2 LEU 15 8.626 -9.728 -4.148
90 H THR 16 H THR 16 2.645 -7.621 -3.423
91 HA THR 16 HA THR 16 2.755 -5.841 -5.832
92 HB THR 16 HB THR 16 0.920 -8.227 -5.479
93 HG1 THR 16 1HG THR 16 2.432 -9.265 -6.861
94 1HG2 THR 16 1HG2 THR 16 1.882 -6.626 -7.901
95 2HG2 THR 16 2HG2 THR 16 0.718 -7.970 -7.934
96 3HG2 THR 16 3HG2 THR 16 0.293 -6.443 -7.134
97 HA PRO 17 HA PRO 17 -0.149 -4.161 -2.838
98 2HB PRO 17 2HB PRO 17 0.725 -2.441 -1.910
99 2HG PRO 17 2HG PRO 17 3.067 -2.315 -2.416
100 2HD PRO 17 2HD PRO 17 2.481 -4.372 -2.574
101 H ASP 18 H ASP 18 -2.077 -2.834 -3.181
102 HA ASP 18 HA ASP 18 -3.104 -2.748 -5.934
103 2HB ASP 18 2HB ASP 18 -4.513 -2.099 -3.340
104 H ARG 19 H ARG 19 -3.116 -0.649 -3.006
105 HA ARG 19 HA ARG 19 -1.894 1.616 -4.398
106 2HB ARG 19 2HB ARG 19 -3.962 2.442 -5.048
107 2HG ARG 19 2HG ARG 19 -5.329 0.810 -2.869
108 2HD ARG 19 2HD ARG 19 -6.367 2.168 -5.406
109 HE ARG 19 HE ARG 19 -7.145 -0.318 -4.199
110 1HH1 ARG 19 2HH2 ARG 19 -8.662 2.350 -5.921
111 2HH1 ARG 19 1HH2 ARG 19 -9.537 1.303 -7.006
112 1HH2 ARG 19 1HH1 ARG 19 -8.013 -1.596 -5.551
113 2HH2 ARG 19 2HH1 ARG 19 -9.237 -1.133 -6.735
114 H CYS 20 H CYS 20 -1.336 3.216 -2.920
115 HA CYS 20 HA CYS 20 -1.944 2.823 -0.024
116 2HB CYS 20 2HB CYS 20 -0.354 4.982 -1.411
117 H SER 21 H SER 21 -4.120 3.388 0.289
118 HA SER 21 HA SER 21 -5.208 5.832 -0.853
119 2HB SER 21 2HB SER 21 -7.097 4.271 -1.844
120 HG SER 21 HG SER 21 -4.605 5.012 -2.918
121 H TYR 22 H TYR 22 -7.270 6.321 0.109
122 HA TYR 22 HA TYR 22 -8.564 6.544 1.974
123 2HB TYR 22 2HB TYR 22 -8.756 3.606 1.894
124 HD1 TYR 22 1HD TYR 22 -9.989 3.001 3.819
125 HD2 TYR 22 2HD TYR 22 -11.162 6.465 1.533
126 HE1 TYR 22 1HE TYR 22 -12.034 3.210 5.189
127 HE2 TYR 22 2HE TYR 22 -13.213 6.675 2.913
128 HH TYR 22 HH TYR 22 -13.970 4.405 5.566
129 H GLY 23 H GLY 23 -5.847 6.615 2.644
130 1HA GLY 23 2HA GLY 23 -4.346 6.377 4.354
131 2HA GLY 23 3HA GLY 23 -5.762 6.305 5.420
132 H THR 24 H THR 24 -4.805 3.939 2.860
133 HA THR 24 HA THR 24 -3.931 1.961 4.847
134 HB THR 24 HB THR 24 -6.472 1.836 3.177
135 HG1 THR 24 1HG THR 24 -6.235 2.523 5.516
136 1HG2 THR 24 1HG2 THR 24 -6.701 -0.536 3.836
137 2HG2 THR 24 2HG2 THR 24 -5.349 -0.303 2.723
138 3HG2 THR 24 3HG2 THR 24 -5.043 -0.532 4.461
139 H CYS 25 H CYS 25 -2.518 0.468 3.932
140 HA CYS 25 HA CYS 25 -1.828 0.933 1.068
141 2HB CYS 25 2HB CYS 25 -0.124 0.875 3.185
142 H TYR 26 H TYR 26 -3.460 0.021 0.106
143 HA TYR 26 HA TYR 26 -4.654 -2.557 0.787
144 2HB TYR 26 2HB TYR 26 -5.729 -2.108 -1.507
145 HD1 TYR 26 1HD TYR 26 -5.759 1.342 -0.532
146 HD2 TYR 26 2HD TYR 26 -7.297 -2.549 0.478
147 HE1 TYR 26 1HE TYR 26 -7.905 2.361 0.202
148 HE2 TYR 26 2HE TYR 26 -9.294 -1.501 1.491
149 HH TYR 26 HH TYR 26 -10.451 0.471 1.838
150 H CYS 27 H CYS 27 -4.137 -4.565 -0.237
151 HA CYS 27 HA CYS 27 -2.002 -4.492 -2.242
152 2HB CYS 27 2HB CYS 27 -0.889 -6.316 -1.335
153 H LYS 28 H LYS 28 -1.972 -5.960 -3.934
154 HA LYS 28 HA LYS 28 -4.654 -6.881 -4.654
155 2HB LYS 28 2HB LYS 28 -3.635 -7.600 -6.726
156 2HG LYS 28 2HG LYS 28 -2.391 -4.950 -5.955
157 2HD LYS 28 2HD LYS 28 -3.605 -5.977 -8.548
158 2HE LYS 28 2HE LYS 28 -3.991 -3.509 -8.056
159 1HZ LYS 28 1HZ LYS 28 -1.605 -3.173 -7.202
160 2HZ LYS 28 2HZ LYS 28 -1.160 -3.155 -8.770
161 3HZ LYS 28 3HZ LYS 28 -2.233 -2.043 -8.195
162 H THR 29 H THR 29 -1.605 -8.273 -3.397
163 HA THR 29 HA THR 29 -3.021 -10.256 -2.097
164 HB THR 29 HB THR 29 -2.929 -11.510 -4.205
165 HG1 THR 29 1HG THR 29 -1.942 -13.307 -3.360
166 1HG2 THR 29 1HG2 THR 29 -0.793 -12.180 -5.225
167 2HG2 THR 29 2HG2 THR 29 -0.970 -10.421 -5.277
168 3HG2 THR 29 3HG2 THR 29 0.107 -11.171 -4.078
169 H THR 30 H THR 30 -0.959 -11.697 -1.357
170 HA THR 30 HA THR 30 1.398 -10.152 -0.651
171 HB THR 30 HB THR 30 -0.450 -10.761 1.700
172 HG1 THR 30 1HG THR 30 -0.255 -8.483 0.069
173 1HG2 THR 30 1HG2 THR 30 1.032 -9.175 2.874
174 2HG2 THR 30 2HG2 THR 30 1.964 -10.541 2.235
175 3HG2 THR 30 3HG2 THR 30 2.007 -8.970 1.407
176 1HN NH2 31 H NH2 31 -0.687 -12.900 0.484
177 2HN NH2 31 2HN NH2 31 0.637 -14.049 0.533
Start of MODEL 13
1 HA PCA 1 HA PCA 1 0.944 8.695 6.111
2 1HB PCA 1 3HB PCA 1 3.159 8.937 6.818
3 2HB PCA 1 2HB PCA 1 2.581 7.982 8.217
4 1HG PCA 1 2HG PCA 1 2.397 9.949 9.552
5 2HG PCA 1 3HG PCA 1 3.674 10.525 8.443
6 H THR 2 H THR 2 -0.654 7.254 6.575
7 HA THR 2 HA THR 2 -1.782 7.050 9.363
8 HB THR 2 HB THR 2 -3.003 6.185 6.758
9 HG1 THR 2 1HG THR 2 -2.746 8.511 7.176
10 1HG2 THR 2 1HG2 THR 2 -5.092 6.060 8.141
11 2HG2 THR 2 2HG2 THR 2 -3.886 4.965 8.824
12 3HG2 THR 2 3HG2 THR 2 -4.174 6.544 9.574
13 H GLN 3 H GLN 3 -2.417 4.351 7.499
14 HA GLN 3 HA GLN 3 -0.364 2.687 8.749
15 2HB GLN 3 2HB GLN 3 -1.032 0.995 7.120
16 2HG GLN 3 2HG GLN 3 -3.530 2.454 8.161
17 1HE2 GLN 3 1HE2 GLN 3 -5.208 1.250 8.665
18 2HE2 GLN 3 2HE2 GLN 3 -5.234 -0.392 8.164
19 H CYS 4 H CYS 4 -0.748 4.585 5.807
20 HA CYS 4 HA CYS 4 2.122 4.441 5.149
21 2HB CYS 4 2HB CYS 4 1.162 2.771 3.693
22 H GLN 5 H GLN 5 2.623 6.102 3.591
23 HA GLN 5 HA GLN 5 0.867 8.534 3.602
24 2HB GLN 5 2HB GLN 5 3.763 8.288 2.751
25 2HG GLN 5 2HG GLN 5 2.339 10.673 3.969
26 1HE2 GLN 5 1HE2 GLN 5 4.262 9.906 0.970
27 2HE2 GLN 5 2HE2 GLN 5 5.546 11.041 1.365
28 H SER 6 H SER 6 2.691 6.137 1.641
29 HA SER 6 HA SER 6 1.311 7.031 -0.839
30 2HB SER 6 2HB SER 6 3.135 7.986 -1.798
31 HG SER 6 HG SER 6 4.217 7.801 0.831
32 H VAL 7 H VAL 7 1.752 5.437 -2.675
33 HA VAL 7 HA VAL 7 1.421 2.861 -1.835
34 HB VAL 7 HB VAL 7 0.929 3.918 -4.058
35 1HG1 VAL 7 1HG1 VAL 7 3.841 3.326 -4.758
36 2HG1 VAL 7 2HG1 VAL 7 2.581 3.948 -5.831
37 3HG1 VAL 7 3HG1 VAL 7 3.171 4.954 -4.500
38 1HG2 VAL 7 1HG2 VAL 7 0.735 1.546 -3.655
39 2HG2 VAL 7 2HG2 VAL 7 1.217 1.886 -5.333
40 3HG2 VAL 7 3HG2 VAL 7 2.427 1.294 -4.164
41 H ARG 8 H ARG 8 4.488 4.512 -2.437
42 HA ARG 8 HA ARG 8 6.333 2.422 -2.395
43 2HB ARG 8 2HB ARG 8 7.833 4.118 -1.209
44 2HG ARG 8 2HG ARG 8 6.420 4.882 -3.798
45 2HD ARG 8 2HD ARG 8 9.048 5.737 -2.500
46 HE ARG 8 HE ARG 8 9.919 5.696 -4.566
47 1HH1 ARG 8 2HH2 ARG 8 6.602 6.805 -4.860
48 2HH1 ARG 8 1HH2 ARG 8 6.695 7.211 -6.549
49 1HH2 ARG 8 1HH1 ARG 8 10.112 6.210 -6.808
50 2HH2 ARG 8 2HH1 ARG 8 8.761 6.853 -7.680
51 H ASP 9 H ASP 9 4.556 3.778 0.462
52 HA ASP 9 HA ASP 9 6.043 2.438 2.479
53 2HB ASP 9 2HB ASP 9 3.687 2.770 3.610
54 H CYS 10 H CYS 10 3.131 1.613 0.520
55 HA CYS 10 HA CYS 10 2.971 -1.012 1.650
56 2HB CYS 10 2HB CYS 10 2.026 -0.970 -1.031
57 H GLN 11 H GLN 11 4.823 0.258 -1.117
58 HA GLN 11 HA GLN 11 5.469 -2.295 -2.195
59 2HB GLN 11 2HB GLN 11 7.526 -1.236 -3.094
60 2HG GLN 11 2HG GLN 11 4.960 0.379 -3.407
61 1HE2 GLN 11 1HE2 GLN 11 7.816 -0.758 -5.327
62 2HE2 GLN 11 2HE2 GLN 11 8.058 0.784 -6.127
63 H GLN 12 H GLN 12 6.592 -0.812 0.792
64 HA GLN 12 HA GLN 12 8.734 -2.799 1.187
65 2HB GLN 12 2HB GLN 12 8.843 -1.886 3.443
66 2HG GLN 12 2HG GLN 12 8.580 0.306 1.325
67 1HE2 GLN 12 1HE2 GLN 12 7.531 1.295 3.475
68 2HE2 GLN 12 2HE2 GLN 12 8.695 2.175 4.443
69 H TYR 13 H TYR 13 5.389 -2.200 2.285
70 HA TYR 13 HA TYR 13 5.233 -4.343 4.127
71 2HB TYR 13 2HB TYR 13 2.951 -3.127 2.538
72 HD1 TYR 13 1HD TYR 13 3.940 -3.723 6.137
73 HD2 TYR 13 2HD TYR 13 0.930 -4.177 3.085
74 HE1 TYR 13 1HE TYR 13 2.412 -4.771 7.788
75 HE2 TYR 13 2HE TYR 13 -0.588 -5.213 4.725
76 HH TYR 13 HH TYR 13 -0.871 -5.878 6.914
77 H CYS 14 H CYS 14 4.529 -4.235 0.715
78 HA CYS 14 HA CYS 14 3.615 -7.065 0.579
79 2HB CYS 14 2HB CYS 14 1.948 -6.053 -1.222
80 H LEU 15 H LEU 15 4.177 -8.100 -1.291
81 HA LEU 15 HA LEU 15 6.301 -6.890 -2.943
82 2HB LEU 15 2HB LEU 15 6.068 -9.190 -4.116
83 HG LEU 15 HG LEU 15 7.175 -10.484 -2.371
84 1HD1 LEU 15 1HD1 LEU 15 8.353 -7.682 -2.554
85 2HD1 LEU 15 2HD1 LEU 15 9.209 -9.197 -2.243
86 3HD1 LEU 15 3HD1 LEU 15 8.457 -8.922 -3.823
87 1HD2 LEU 15 1HD2 LEU 15 6.933 -8.072 -0.530
88 2HD2 LEU 15 2HD2 LEU 15 5.974 -9.564 -0.379
89 3HD2 LEU 15 3HD2 LEU 15 7.735 -9.613 -0.202
90 H THR 16 H THR 16 2.828 -7.111 -3.059
91 HA THR 16 HA THR 16 2.952 -5.806 -5.709
92 HB THR 16 HB THR 16 1.154 -8.225 -5.332
93 HG1 THR 16 1HG THR 16 3.818 -8.016 -6.190
94 1HG2 THR 16 1HG2 THR 16 2.167 -6.725 -7.798
95 2HG2 THR 16 2HG2 THR 16 1.005 -8.072 -7.779
96 3HG2 THR 16 3HG2 THR 16 0.568 -6.506 -7.065
97 HA PRO 17 HA PRO 17 -0.040 -4.116 -2.844
98 2HB PRO 17 2HB PRO 17 0.859 -2.442 -1.799
99 2HG PRO 17 2HG PRO 17 3.189 -2.291 -2.248
100 2HD PRO 17 2HD PRO 17 2.671 -4.342 -2.530
101 H ASP 18 H ASP 18 -1.675 -2.262 -3.155
102 HA ASP 18 HA ASP 18 -2.466 -1.921 -5.979
103 2HB ASP 18 2HB ASP 18 -4.476 -1.749 -3.730
104 H ARG 19 H ARG 19 -3.184 -0.335 -2.816
105 HA ARG 19 HA ARG 19 -2.036 2.142 -3.913
106 2HB ARG 19 2HB ARG 19 -4.159 2.615 -4.764
107 2HG ARG 19 2HG ARG 19 -5.390 1.179 -2.409
108 2HD ARG 19 2HD ARG 19 -6.819 1.707 -5.001
109 HE ARG 19 HE ARG 19 -7.699 1.115 -2.344
110 1HH1 ARG 19 2HH2 ARG 19 -8.572 2.899 -5.231
111 2HH1 ARG 19 1HH2 ARG 19 -10.262 3.051 -4.867
112 1HH2 ARG 19 1HH1 ARG 19 -9.986 1.485 -1.673
113 2HH2 ARG 19 2HH1 ARG 19 -11.072 2.116 -2.859
114 H CYS 20 H CYS 20 -1.535 3.529 -2.391
115 HA CYS 20 HA CYS 20 -2.171 3.008 0.479
116 2HB CYS 20 2HB CYS 20 -0.550 5.222 -0.795
117 H SER 21 H SER 21 -4.361 3.457 0.753
118 HA SER 21 HA SER 21 -5.484 5.967 -0.245
119 2HB SER 21 2HB SER 21 -7.319 4.422 -1.354
120 HG SER 21 HG SER 21 -4.822 5.294 -2.311
121 H TYR 22 H TYR 22 -7.352 6.523 0.858
122 HA TYR 22 HA TYR 22 -8.410 6.792 2.839
123 2HB TYR 22 2HB TYR 22 -9.742 4.859 3.675
124 HD1 TYR 22 1HD TYR 22 -11.214 6.729 2.945
125 HD2 TYR 22 2HD TYR 22 -9.671 3.811 0.174
126 HE1 TYR 22 1HE TYR 22 -12.971 7.347 1.307
127 HE2 TYR 22 2HE TYR 22 -11.418 4.439 -1.462
128 HH TYR 22 HH TYR 22 -13.268 5.771 -1.883
129 H GLY 23 H GLY 23 -5.576 6.417 2.963
130 1HA GLY 23 2HA GLY 23 -3.948 6.284 4.538
131 2HA GLY 23 3HA GLY 23 -5.220 6.168 5.764
132 H THR 24 H THR 24 -5.428 3.679 3.401
133 HA THR 24 HA THR 24 -4.046 1.687 5.112
134 HB THR 24 HB THR 24 -6.554 1.527 3.385
135 HG1 THR 24 1HG THR 24 -6.097 1.216 6.174
136 1HG2 THR 24 1HG2 THR 24 -5.155 -0.718 4.902
137 2HG2 THR 24 2HG2 THR 24 -6.779 -0.799 4.197
138 3HG2 THR 24 3HG2 THR 24 -5.374 -0.605 3.142
139 H CYS 25 H CYS 25 -2.557 0.379 4.090
140 HA CYS 25 HA CYS 25 -2.017 0.976 1.239
141 2HB CYS 25 2HB CYS 25 -0.255 0.930 3.226
142 H TYR 26 H TYR 26 -3.693 0.089 0.306
143 HA TYR 26 HA TYR 26 -4.756 -2.583 0.643
144 2HB TYR 26 2HB TYR 26 -5.574 -2.019 -1.754
145 HD1 TYR 26 1HD TYR 26 -7.580 -2.609 -0.549
146 HD2 TYR 26 2HD TYR 26 -5.719 1.244 -0.035
147 HE1 TYR 26 1HE TYR 26 -9.783 -1.616 -0.072
148 HE2 TYR 26 2HE TYR 26 -7.951 2.254 0.328
149 HH TYR 26 HH TYR 26 -10.946 0.432 0.299
150 H CYS 27 H CYS 27 -4.051 -4.505 -0.388
151 HA CYS 27 HA CYS 27 -1.972 -4.242 -2.422
152 2HB CYS 27 2HB CYS 27 -0.776 -6.142 -1.603
153 H LYS 28 H LYS 28 -1.885 -5.771 -4.081
154 HA LYS 28 HA LYS 28 -4.521 -6.868 -4.794
155 2HB LYS 28 2HB LYS 28 -3.301 -7.779 -6.747
156 2HG LYS 28 2HG LYS 28 -2.724 -4.859 -6.143
157 2HD LYS 28 2HD LYS 28 -2.730 -6.436 -8.778
158 2HE LYS 28 2HE LYS 28 -3.551 -4.239 -9.318
159 1HZ LYS 28 1HZ LYS 28 -1.533 -3.257 -7.401
160 2HZ LYS 28 2HZ LYS 28 -2.199 -2.288 -8.578
161 3HZ LYS 28 3HZ LYS 28 -3.165 -3.013 -7.487
162 H THR 29 H THR 29 -1.256 -8.091 -3.772
163 HA THR 29 HA THR 29 -2.330 -10.166 -2.248
164 HB THR 29 HB THR 29 -2.686 -11.279 -4.433
165 HG1 THR 29 1HG THR 29 -1.534 -13.118 -3.926
166 1HG2 THR 29 1HG2 THR 29 -0.802 -11.865 -5.892
167 2HG2 THR 29 2HG2 THR 29 -0.949 -10.105 -5.782
168 3HG2 THR 29 3HG2 THR 29 0.323 -10.950 -4.874
169 H THR 30 H THR 30 -0.259 -11.599 -2.056
170 HA THR 30 HA THR 30 2.368 -11.014 -2.033
171 HB THR 30 HB THR 30 1.105 -9.535 0.311
172 HG1 THR 30 1HG THR 30 1.702 -8.410 -1.554
173 1HG2 THR 30 1HG2 THR 30 2.754 -10.961 1.407
174 2HG2 THR 30 2HG2 THR 30 3.945 -10.625 0.132
175 3HG2 THR 30 3HG2 THR 30 3.430 -9.341 1.246
176 1HN NH2 31 H NH2 31 -0.165 -11.871 0.405
177 2HN NH2 31 2HN NH2 31 0.496 -13.464 0.729
Start of MODEL 14
1 HA PCA 1 HA PCA 1 -0.017 9.294 5.809
2 1HB PCA 1 3HB PCA 1 2.274 9.530 6.322
3 2HB PCA 1 2HB PCA 1 1.869 8.311 7.566
4 1HG PCA 1 2HG PCA 1 1.694 10.003 9.250
5 2HG PCA 1 3HG PCA 1 2.917 10.783 8.201
6 H THR 2 H THR 2 -0.336 7.062 6.713
7 HA THR 2 HA THR 2 -1.496 6.820 9.440
8 HB THR 2 HB THR 2 -3.029 6.053 6.984
9 HG1 THR 2 1HG THR 2 -2.935 8.358 8.418
10 1HG2 THR 2 1HG2 THR 2 -4.895 5.653 8.594
11 2HG2 THR 2 2HG2 THR 2 -3.542 4.597 9.013
12 3HG2 THR 2 3HG2 THR 2 -3.831 6.077 9.946
13 H GLN 3 H GLN 3 -2.195 4.207 7.435
14 HA GLN 3 HA GLN 3 -0.008 2.554 8.416
15 2HB GLN 3 2HB GLN 3 -0.534 1.098 6.466
16 2HG GLN 3 2HG GLN 3 -3.121 1.851 7.947
17 1HE2 GLN 3 1HE2 GLN 3 -4.011 -0.063 8.812
18 2HE2 GLN 3 2HE2 GLN 3 -4.094 -1.371 7.688
19 H CYS 4 H CYS 4 -0.454 4.806 5.740
20 HA CYS 4 HA CYS 4 2.395 4.746 5.029
21 2HB CYS 4 2HB CYS 4 1.511 3.048 3.558
22 H GLN 5 H GLN 5 2.819 6.421 3.450
23 HA GLN 5 HA GLN 5 1.000 8.790 3.473
24 2HB GLN 5 2HB GLN 5 3.887 8.778 2.596
25 2HG GLN 5 2HG GLN 5 2.218 10.851 4.097
26 1HE2 GLN 5 1HE2 GLN 5 4.765 10.607 4.932
27 2HE2 GLN 5 2HE2 GLN 5 5.790 11.806 4.161
28 H SER 6 H SER 6 2.918 6.452 1.496
29 HA SER 6 HA SER 6 1.152 6.914 -0.777
30 2HB SER 6 2HB SER 6 2.446 8.550 -1.606
31 HG SER 6 HG SER 6 4.094 8.237 0.221
32 H VAL 7 H VAL 7 2.018 5.581 -2.677
33 HA VAL 7 HA VAL 7 1.862 2.939 -1.884
34 HB VAL 7 HB VAL 7 1.361 3.996 -4.117
35 1HG1 VAL 7 1HG1 VAL 7 3.069 4.169 -5.827
36 2HG1 VAL 7 2HG1 VAL 7 3.523 5.207 -4.466
37 3HG1 VAL 7 3HG1 VAL 7 4.332 3.642 -4.706
38 1HG2 VAL 7 1HG2 VAL 7 3.042 1.488 -4.170
39 2HG2 VAL 7 2HG2 VAL 7 1.314 1.628 -3.745
40 3HG2 VAL 7 3HG2 VAL 7 1.854 2.007 -5.397
41 H ARG 8 H ARG 8 4.755 4.863 -2.368
42 HA ARG 8 HA ARG 8 6.848 3.054 -2.295
43 2HB ARG 8 2HB ARG 8 8.072 4.862 -1.057
44 2HG ARG 8 2HG ARG 8 6.338 5.761 -3.410
45 2HD ARG 8 2HD ARG 8 8.910 6.893 -2.241
46 HE ARG 8 HE ARG 8 7.998 7.015 -4.898
47 1HH1 ARG 8 2HH2 ARG 8 8.884 9.254 -2.334
48 2HH1 ARG 8 1HH2 ARG 8 9.439 10.521 -3.383
49 1HH2 ARG 8 1HH1 ARG 8 8.724 8.670 -6.353
50 2HH2 ARG 8 2HH1 ARG 8 9.341 10.168 -5.738
51 H ASP 9 H ASP 9 4.867 4.176 0.539
52 HA ASP 9 HA ASP 9 6.410 2.998 2.576
53 2HB ASP 9 2HB ASP 9 3.983 3.143 3.664
54 H CYS 10 H CYS 10 3.549 1.906 0.688
55 HA CYS 10 HA CYS 10 3.503 -0.657 1.971
56 2HB CYS 10 2HB CYS 10 2.481 -0.699 -0.678
57 H GLN 11 H GLN 11 5.258 0.585 -0.880
58 HA GLN 11 HA GLN 11 5.930 -1.948 -1.971
59 2HB GLN 11 2HB GLN 11 7.977 -0.815 -2.872
60 2HG GLN 11 2HG GLN 11 5.291 0.559 -3.274
61 1HE2 GLN 11 1HE2 GLN 11 8.114 -0.479 -5.273
62 2HE2 GLN 11 2HE2 GLN 11 8.307 1.082 -6.055
63 H GLN 12 H GLN 12 7.132 -0.355 0.948
64 HA GLN 12 HA GLN 12 9.342 -2.242 1.373
65 2HB GLN 12 2HB GLN 12 9.386 -1.368 3.621
66 2HG GLN 12 2HG GLN 12 8.822 0.849 1.594
67 1HE2 GLN 12 1HE2 GLN 12 7.241 1.318 3.621
68 2HE2 GLN 12 2HE2 GLN 12 7.952 2.501 4.717
69 H TYR 13 H TYR 13 5.969 -1.788 2.424
70 HA TYR 13 HA TYR 13 5.868 -3.949 4.249
71 2HB TYR 13 2HB TYR 13 3.447 -2.946 2.744
72 HD1 TYR 13 1HD TYR 13 4.695 -2.508 6.249
73 HD2 TYR 13 2HD TYR 13 1.768 -4.371 3.694
74 HE1 TYR 13 1HE TYR 13 3.441 -3.270 8.239
75 HE2 TYR 13 2HE TYR 13 0.527 -5.157 5.688
76 HH TYR 13 HH TYR 13 1.608 -4.431 9.015
77 H CYS 14 H CYS 14 5.357 -3.905 0.814
78 HA CYS 14 HA CYS 14 4.474 -6.746 0.623
79 2HB CYS 14 2HB CYS 14 2.634 -5.712 -0.994
80 H LEU 15 H LEU 15 5.048 -7.687 -1.307
81 HA LEU 15 HA LEU 15 7.012 -6.463 -2.946
82 2HB LEU 15 2HB LEU 15 5.265 -8.771 -3.866
83 HG LEU 15 HG LEU 15 7.266 -9.794 -4.631
84 1HD1 LEU 15 1HD1 LEU 15 8.014 -8.390 -6.410
85 2HD1 LEU 15 2HD1 LEU 15 6.300 -8.031 -6.141
86 3HD1 LEU 15 3HD1 LEU 15 7.558 -6.916 -5.551
87 1HD2 LEU 15 1HD2 LEU 15 9.505 -8.911 -4.394
88 2HD2 LEU 15 2HD2 LEU 15 8.918 -7.485 -3.527
89 3HD2 LEU 15 3HD2 LEU 15 8.772 -9.095 -2.792
90 H THR 16 H THR 16 3.515 -7.075 -3.497
91 HA THR 16 HA THR 16 3.534 -5.016 -5.676
92 HB THR 16 HB THR 16 1.828 -7.524 -5.631
93 HG1 THR 16 1HG THR 16 3.367 -8.275 -7.160
94 1HG2 THR 16 1HG2 THR 16 1.049 -5.592 -7.023
95 2HG2 THR 16 2HG2 THR 16 2.636 -5.545 -7.817
96 3HG2 THR 16 3HG2 THR 16 1.573 -6.956 -8.030
97 HA PRO 17 HA PRO 17 0.531 -3.799 -2.562
98 2HB PRO 17 2HB PRO 17 1.314 -2.108 -1.494
99 2HG PRO 17 2HG PRO 17 3.661 -1.821 -1.975
100 2HD PRO 17 2HD PRO 17 3.187 -3.890 -2.287
101 H ASP 18 H ASP 18 -1.534 -2.738 -2.933
102 HA ASP 18 HA ASP 18 -2.335 -2.606 -5.757
103 2HB ASP 18 2HB ASP 18 -4.208 -2.218 -3.413
104 H ARG 19 H ARG 19 -2.818 -0.648 -2.672
105 HA ARG 19 HA ARG 19 -1.821 1.734 -4.023
106 2HB ARG 19 2HB ARG 19 -3.978 2.288 -4.725
107 2HG ARG 19 2HG ARG 19 -5.085 0.809 -2.329
108 2HD ARG 19 2HD ARG 19 -6.483 1.775 -4.904
109 HE ARG 19 HE ARG 19 -7.968 0.558 -2.669
110 1HH1 ARG 19 2HH2 ARG 19 -6.588 -0.067 -5.904
111 2HH1 ARG 19 1HH2 ARG 19 -6.662 -1.805 -5.637
112 1HH2 ARG 19 1HH1 ARG 19 -8.219 -1.799 -2.569
113 2HH2 ARG 19 2HH1 ARG 19 -7.406 -2.675 -3.868
114 H CYS 20 H CYS 20 -1.356 3.347 -2.548
115 HA CYS 20 HA CYS 20 -1.861 2.876 0.364
116 2HB CYS 20 2HB CYS 20 -0.363 5.097 -1.036
117 H SER 21 H SER 21 -4.014 3.380 0.781
118 HA SER 21 HA SER 21 -5.267 5.761 -0.369
119 2HB SER 21 2HB SER 21 -7.069 4.044 -1.291
120 HG SER 21 HG SER 21 -4.662 4.950 -2.430
121 H TYR 22 H TYR 22 -7.103 6.330 0.816
122 HA TYR 22 HA TYR 22 -8.219 6.557 2.789
123 2HB TYR 22 2HB TYR 22 -9.625 4.674 3.444
124 HD1 TYR 22 1HD TYR 22 -9.084 3.300 0.112
125 HD2 TYR 22 2HD TYR 22 -10.967 6.495 2.310
126 HE1 TYR 22 1HE TYR 22 -10.550 3.761 -1.822
127 HE2 TYR 22 2HE TYR 22 -12.438 6.956 0.366
128 HH TYR 22 HH TYR 22 -12.264 5.066 -2.660
129 H GLY 23 H GLY 23 -5.544 6.520 3.212
130 1HA GLY 23 2HA GLY 23 -3.930 6.297 4.790
131 2HA GLY 23 3HA GLY 23 -5.244 6.038 5.949
132 H THR 24 H THR 24 -5.054 3.709 3.387
133 HA THR 24 HA THR 24 -3.945 1.661 5.219
134 HB THR 24 HB THR 24 -6.168 1.436 3.153
135 HG1 THR 24 1HG THR 24 -6.798 2.658 4.972
136 1HG2 THR 24 1HG2 THR 24 -6.623 -0.734 4.180
137 2HG2 THR 24 2HG2 THR 24 -4.971 -0.707 3.539
138 3HG2 THR 24 3HG2 THR 24 -5.253 -0.530 5.287
139 H CYS 25 H CYS 25 -2.331 0.363 4.286
140 HA CYS 25 HA CYS 25 -1.617 0.970 1.453
141 2HB CYS 25 2HB CYS 25 0.034 1.035 3.570
142 H TYR 26 H TYR 26 -3.210 -0.026 0.460
143 HA TYR 26 HA TYR 26 -4.224 -2.702 0.991
144 2HB TYR 26 2HB TYR 26 -5.049 -2.319 -1.434
145 HD1 TYR 26 1HD TYR 26 -5.398 0.948 0.308
146 HD2 TYR 26 2HD TYR 26 -7.104 -2.935 -0.471
147 HE1 TYR 26 1HE TYR 26 -7.612 1.743 1.094
148 HE2 TYR 26 2HE TYR 26 -9.324 -2.103 0.255
149 HH TYR 26 HH TYR 26 -9.812 1.191 1.530
150 H CYS 27 H CYS 27 -3.324 -4.635 0.180
151 HA CYS 27 HA CYS 27 -1.222 -4.384 -1.872
152 2HB CYS 27 2HB CYS 27 -0.049 -6.235 -1.001
153 H LYS 28 H LYS 28 -1.231 -5.740 -3.651
154 HA LYS 28 HA LYS 28 -3.871 -6.783 -4.179
155 2HB LYS 28 2HB LYS 28 -1.602 -7.170 -6.116
156 2HG LYS 28 2HG LYS 28 -3.239 -6.060 -7.631
157 2HD LYS 28 2HD LYS 28 -4.509 -8.300 -5.992
158 2HE LYS 28 2HE LYS 28 -5.110 -7.447 -8.842
159 1HZ LYS 28 1HZ LYS 28 -6.100 -9.641 -7.120
160 2HZ LYS 28 2HZ LYS 28 -6.845 -9.166 -8.518
161 3HZ LYS 28 3HZ LYS 28 -5.322 -9.789 -8.551
162 H THR 29 H THR 29 -2.609 -8.211 -2.032
163 HA THR 29 HA THR 29 -1.580 -10.737 -3.071
164 HB THR 29 HB THR 29 -2.326 -10.093 -0.197
165 HG1 THR 29 1HG THR 29 -0.229 -9.156 -0.061
166 1HG2 THR 29 1HG2 THR 29 -1.476 -12.389 -0.741
167 2HG2 THR 29 2HG2 THR 29 -0.019 -11.664 -1.451
168 3HG2 THR 29 3HG2 THR 29 -0.347 -11.490 0.284
169 H THR 30 H THR 30 -4.007 -10.394 -4.237
170 HA THR 30 HA THR 30 -6.218 -11.276 -2.529
171 HB THR 30 HB THR 30 -7.529 -11.074 -4.612
172 HG1 THR 30 1HG THR 30 -5.759 -11.667 -5.955
173 1HG2 THR 30 1HG2 THR 30 -7.263 -8.626 -4.900
174 2HG2 THR 30 2HG2 THR 30 -7.225 -9.095 -3.194
175 3HG2 THR 30 3HG2 THR 30 -5.719 -8.681 -4.023
176 1HN NH2 31 H NH2 31 -4.918 -13.286 -1.960
177 2HN NH2 31 2HN NH2 31 -5.185 -14.704 -2.975
Start of MODEL 15
1 HA PCA 1 HA PCA 1 -0.553 8.531 11.704
2 1HB PCA 1 3HB PCA 1 -1.234 10.631 12.505
3 2HB PCA 1 2HB PCA 1 -2.830 10.060 11.951
4 1HG PCA 1 2HG PCA 1 -2.621 11.316 9.908
5 2HG PCA 1 3HG PCA 1 -1.686 12.378 11.004
6 H THR 2 H THR 2 -0.386 7.187 9.372
7 HA THR 2 HA THR 2 -2.951 6.066 8.837
8 HB THR 2 HB THR 2 -2.370 6.287 6.331
9 HG1 THR 2 1HG THR 2 -0.793 7.540 5.781
10 1HG2 THR 2 1HG2 THR 2 -3.127 8.932 7.622
11 2HG2 THR 2 2HG2 THR 2 -3.514 8.372 5.990
12 3HG2 THR 2 3HG2 THR 2 -4.253 7.576 7.397
13 H GLN 3 H GLN 3 -2.312 4.210 7.332
14 HA GLN 3 HA GLN 3 -0.094 2.740 8.578
15 2HB GLN 3 2HB GLN 3 -0.869 0.863 7.191
16 2HG GLN 3 2HG GLN 3 -3.224 2.431 8.436
17 1HE2 GLN 3 1HE2 GLN 3 -4.190 0.747 9.925
18 2HE2 GLN 3 2HE2 GLN 3 -5.062 -0.332 8.899
19 H CYS 4 H CYS 4 -0.815 4.360 5.526
20 HA CYS 4 HA CYS 4 2.044 4.465 4.829
21 2HB CYS 4 2HB CYS 4 1.257 2.700 3.364
22 H GLN 5 H GLN 5 2.452 6.179 3.346
23 HA GLN 5 HA GLN 5 0.525 8.460 3.406
24 2HB GLN 5 2HB GLN 5 3.418 8.611 2.575
25 2HG GLN 5 2HG GLN 5 1.647 10.494 4.204
26 1HE2 GLN 5 1HE2 GLN 5 4.122 10.347 5.138
27 2HE2 GLN 5 2HE2 GLN 5 5.146 11.607 4.472
28 H SER 6 H SER 6 2.477 6.238 1.372
29 HA SER 6 HA SER 6 0.939 6.932 -1.042
30 2HB SER 6 2HB SER 6 3.149 7.582 -2.240
31 HG SER 6 HG SER 6 1.652 9.159 -0.476
32 H VAL 7 H VAL 7 1.648 5.507 -2.913
33 HA VAL 7 HA VAL 7 1.636 2.948 -2.173
34 HB VAL 7 HB VAL 7 1.164 3.998 -4.398
35 1HG1 VAL 7 1HG1 VAL 7 4.134 3.596 -4.974
36 2HG1 VAL 7 2HG1 VAL 7 2.881 4.153 -6.093
37 3HG1 VAL 7 3HG1 VAL 7 3.354 5.177 -4.728
38 1HG2 VAL 7 1HG2 VAL 7 1.647 1.990 -5.664
39 2HG2 VAL 7 2HG2 VAL 7 2.830 1.473 -4.433
40 3HG2 VAL 7 3HG2 VAL 7 1.102 1.614 -4.014
41 H ARG 8 H ARG 8 4.594 4.821 -2.619
42 HA ARG 8 HA ARG 8 6.552 2.832 -2.587
43 2HB ARG 8 2HB ARG 8 7.991 4.506 -1.480
44 2HG ARG 8 2HG ARG 8 6.300 5.770 -3.691
45 2HD ARG 8 2HD ARG 8 8.056 7.231 -2.897
46 HE ARG 8 HE ARG 8 9.915 6.317 -2.015
47 1HH1 ARG 8 2HH2 ARG 8 9.203 4.496 -4.952
48 2HH1 ARG 8 1HH2 ARG 8 10.617 3.496 -4.876
49 1HH2 ARG 8 1HH1 ARG 8 11.788 4.987 -1.853
50 2HH2 ARG 8 2HH1 ARG 8 12.126 3.795 -3.061
51 H ASP 9 H ASP 9 4.677 4.079 0.245
52 HA ASP 9 HA ASP 9 6.146 2.814 2.299
53 2HB ASP 9 2HB ASP 9 3.744 2.957 3.336
54 H CYS 10 H CYS 10 3.322 1.805 0.300
55 HA CYS 10 HA CYS 10 3.283 -0.859 1.387
56 2HB CYS 10 2HB CYS 10 2.390 -0.779 -1.261
57 H GLN 11 H GLN 11 5.109 0.529 -1.336
58 HA GLN 11 HA GLN 11 5.960 -1.971 -2.353
59 2HB GLN 11 2HB GLN 11 7.970 -0.851 -3.195
60 2HG GLN 11 2HG GLN 11 5.491 0.864 -3.598
61 1HE2 GLN 11 1HE2 GLN 11 7.581 -0.866 -5.908
62 2HE2 GLN 11 2HE2 GLN 11 8.223 0.580 -6.662
63 H GLN 12 H GLN 12 6.881 -0.376 0.667
64 HA GLN 12 HA GLN 12 9.163 -2.169 1.161
65 2HB GLN 12 2HB GLN 12 9.168 -1.203 3.383
66 2HG GLN 12 2HG GLN 12 8.696 0.915 1.229
67 1HE2 GLN 12 1HE2 GLN 12 7.470 1.674 3.465
68 2HE2 GLN 12 2HE2 GLN 12 8.476 2.792 4.364
69 H TYR 13 H TYR 13 5.746 -1.827 2.224
70 HA TYR 13 HA TYR 13 5.859 -4.084 4.007
71 2HB TYR 13 2HB TYR 13 3.419 -3.809 4.145
72 HD1 TYR 13 1HD TYR 13 3.269 -0.394 3.382
73 HD2 TYR 13 2HD TYR 13 4.981 -3.135 6.234
74 HE1 TYR 13 1HE TYR 13 3.041 1.295 5.100
75 HE2 TYR 13 2HE TYR 13 4.718 -1.406 7.997
76 HH TYR 13 HH TYR 13 2.975 1.664 7.346
77 H CYS 14 H CYS 14 5.346 -3.936 0.557
78 HA CYS 14 HA CYS 14 4.435 -6.757 0.379
79 2HB CYS 14 2HB CYS 14 2.688 -5.794 -1.344
80 H LEU 15 H LEU 15 5.094 -7.730 -1.493
81 HA LEU 15 HA LEU 15 7.130 -6.520 -3.060
82 2HB LEU 15 2HB LEU 15 5.496 -8.908 -3.979
83 HG LEU 15 HG LEU 15 7.557 -9.903 -4.602
84 1HD1 LEU 15 1HD1 LEU 15 7.853 -7.047 -5.590
85 2HD1 LEU 15 2HD1 LEU 15 8.396 -8.536 -6.370
86 3HD1 LEU 15 3HD1 LEU 15 6.662 -8.209 -6.230
87 1HD2 LEU 15 1HD2 LEU 15 8.935 -9.126 -2.700
88 2HD2 LEU 15 2HD2 LEU 15 9.761 -8.964 -4.258
89 3HD2 LEU 15 3HD2 LEU 15 9.092 -7.530 -3.465
90 H THR 16 H THR 16 3.675 -7.224 -3.780
91 HA THR 16 HA THR 16 3.778 -5.230 -6.021
92 HB THR 16 HB THR 16 2.151 -7.792 -6.030
93 HG1 THR 16 1HG THR 16 4.443 -8.134 -6.148
94 1HG2 THR 16 1HG2 THR 16 1.288 -5.904 -7.436
95 2HG2 THR 16 2HG2 THR 16 2.885 -5.765 -8.196
96 3HG2 THR 16 3HG2 THR 16 1.918 -7.236 -8.426
97 HA PRO 17 HA PRO 17 0.625 -4.004 -3.085
98 2HB PRO 17 2HB PRO 17 1.285 -2.243 -2.097
99 2HG PRO 17 2HG PRO 17 3.645 -1.936 -2.443
100 2HD PRO 17 2HD PRO 17 3.219 -4.009 -2.704
101 H ASP 18 H ASP 18 -1.315 -2.620 -3.399
102 HA ASP 18 HA ASP 18 -2.368 -2.599 -6.182
103 2HB ASP 18 2HB ASP 18 -3.786 -2.411 -3.487
104 H ARG 19 H ARG 19 -2.728 -0.748 -3.069
105 HA ARG 19 HA ARG 19 -1.801 1.706 -4.378
106 2HB ARG 19 2HB ARG 19 -3.949 2.367 -4.892
107 2HG ARG 19 2HG ARG 19 -5.065 0.522 -2.761
108 2HD ARG 19 2HD ARG 19 -6.660 1.231 -5.176
109 HE ARG 19 HE ARG 19 -7.339 0.475 -2.561
110 1HH1 ARG 19 2HH2 ARG 19 -8.388 2.626 -5.118
111 2HH1 ARG 19 1HH2 ARG 19 -10.038 2.766 -4.599
112 1HH2 ARG 19 1HH1 ARG 19 -9.550 0.851 -1.635
113 2HH2 ARG 19 2HH1 ARG 19 -10.710 1.624 -2.651
114 H CYS 20 H CYS 20 -1.496 3.366 -2.824
115 HA CYS 20 HA CYS 20 -1.956 2.671 0.044
116 2HB CYS 20 2HB CYS 20 -0.538 5.073 -1.133
117 H SER 21 H SER 21 -4.121 3.142 0.491
118 HA SER 21 HA SER 21 -5.371 5.529 -0.599
119 2HB SER 21 2HB SER 21 -7.187 3.848 -1.570
120 HG SER 21 HG SER 21 -4.797 4.826 -2.690
121 H TYR 22 H TYR 22 -7.235 6.063 0.532
122 HA TYR 22 HA TYR 22 -8.308 6.353 2.506
123 2HB TYR 22 2HB TYR 22 -9.572 4.412 3.376
124 HD1 TYR 22 1HD TYR 22 -11.346 5.854 2.563
125 HD2 TYR 22 2HD TYR 22 -9.072 3.403 -0.155
126 HE1 TYR 22 1HE TYR 22 -13.009 6.281 0.786
127 HE2 TYR 22 2HE TYR 22 -10.687 3.933 -1.970
128 HH TYR 22 HH TYR 22 -13.600 5.904 -1.420
129 H GLY 23 H GLY 23 -5.472 6.166 2.697
130 1HA GLY 23 2HA GLY 23 -3.874 6.205 4.316
131 2HA GLY 23 3HA GLY 23 -5.146 5.969 5.523
132 H THR 24 H THR 24 -5.163 3.453 3.207
133 HA THR 24 HA THR 24 -3.609 1.610 4.936
134 HB THR 24 HB THR 24 -6.248 1.325 3.464
135 HG1 THR 24 1HG THR 24 -5.336 0.706 6.082
136 1HG2 THR 24 1HG2 THR 24 -4.481 -0.940 4.494
137 2HG2 THR 24 2HG2 THR 24 -6.204 -1.086 4.096
138 3HG2 THR 24 3HG2 THR 24 -5.042 -0.697 2.823
139 H CYS 25 H CYS 25 -2.159 0.287 3.956
140 HA CYS 25 HA CYS 25 -1.634 0.751 1.078
141 2HB CYS 25 2HB CYS 25 0.108 0.622 3.216
142 H TYR 26 H TYR 26 -2.920 -0.362 -0.097
143 HA TYR 26 HA TYR 26 -4.049 -3.011 0.568
144 2HB TYR 26 2HB TYR 26 -5.093 -2.553 -1.739
145 HD1 TYR 26 1HD TYR 26 -5.229 0.822 -0.329
146 HD2 TYR 26 2HD TYR 26 -6.916 -3.141 -0.240
147 HE1 TYR 26 1HE TYR 26 -7.485 1.769 0.072
148 HE2 TYR 26 2HE TYR 26 -9.134 -2.195 0.273
149 HH TYR 26 HH TYR 26 -10.381 -0.194 0.425
150 H CYS 27 H CYS 27 -3.375 -4.917 -0.588
151 HA CYS 27 HA CYS 27 -1.215 -4.561 -2.544
152 2HB CYS 27 2HB CYS 27 0.037 -6.352 -1.638
153 H LYS 28 H LYS 28 -0.915 -6.098 -4.183
154 HA LYS 28 HA LYS 28 -3.492 -7.180 -5.059
155 2HB LYS 28 2HB LYS 28 -2.217 -7.659 -7.177
156 2HG LYS 28 2HG LYS 28 -1.149 -5.199 -7.371
157 2HD LYS 28 2HD LYS 28 -3.090 -5.764 -8.728
158 2HE LYS 28 2HE LYS 28 -5.358 -4.956 -7.680
159 1HZ LYS 28 1HZ LYS 28 -5.087 -7.201 -8.334
160 2HZ LYS 28 2HZ LYS 28 -4.315 -7.595 -6.935
161 3HZ LYS 28 3HZ LYS 28 -5.898 -7.143 -6.904
162 H THR 29 H THR 29 -3.306 -8.564 -2.997
163 HA THR 29 HA THR 29 -2.618 -11.257 -3.928
164 HB THR 29 HB THR 29 -1.555 -10.411 -1.204
165 HG1 THR 29 1HG THR 29 -0.385 -10.093 -3.736
166 1HG2 THR 29 1HG2 THR 29 -0.053 -12.329 -1.554
167 2HG2 THR 29 2HG2 THR 29 -1.714 -12.897 -1.768
168 3HG2 THR 29 3HG2 THR 29 -0.699 -12.587 -3.183
169 H THR 30 H THR 30 -3.115 -11.856 -0.810
170 HA THR 30 HA THR 30 -5.964 -12.297 -1.189
171 HB THR 30 HB THR 30 -5.617 -13.341 1.117
172 HG1 THR 30 1HG THR 30 -3.861 -12.075 1.717
173 1HG2 THR 30 1HG2 THR 30 -5.430 -14.696 -0.952
174 2HG2 THR 30 2HG2 THR 30 -3.715 -14.260 -1.095
175 3HG2 THR 30 3HG2 THR 30 -4.273 -15.224 0.283
176 1HN NH2 31 H NH2 31 -6.197 -9.809 -1.422
177 2HN NH2 31 2HN NH2 31 -6.566 -8.940 0.069
Start of MODEL 16
1 HA PCA 1 HA PCA 1 0.816 9.949 6.625
2 1HB PCA 1 3HB PCA 1 -0.213 12.060 6.281
3 2HB PCA 1 2HB PCA 1 -0.842 11.709 7.913
4 1HG PCA 1 2HG PCA 1 -2.933 10.939 6.997
5 2HG PCA 1 3HG PCA 1 -2.510 12.185 5.783
6 H THR 2 H THR 2 -0.573 7.410 6.570
7 HA THR 2 HA THR 2 -1.747 7.132 9.327
8 HB THR 2 HB THR 2 -3.004 6.224 6.762
9 HG1 THR 2 1HG THR 2 -4.432 7.986 7.095
10 1HG2 THR 2 1HG2 THR 2 -3.761 5.043 8.917
11 2HG2 THR 2 2HG2 THR 2 -4.154 6.638 9.581
12 3HG2 THR 2 3HG2 THR 2 -5.049 6.007 8.186
13 H GLN 3 H GLN 3 -2.357 4.418 7.495
14 HA GLN 3 HA GLN 3 -0.319 2.773 8.714
15 2HB GLN 3 2HB GLN 3 -0.768 1.219 6.809
16 2HG GLN 3 2HG GLN 3 -3.431 2.180 8.003
17 1HE2 GLN 3 1HE2 GLN 3 -4.511 0.356 8.829
18 2HE2 GLN 3 2HE2 GLN 3 -4.580 -0.980 7.736
19 H CYS 4 H CYS 4 -0.507 4.730 5.801
20 HA CYS 4 HA CYS 4 2.365 4.467 5.199
21 2HB CYS 4 2HB CYS 4 1.366 2.801 3.776
22 H GLN 5 H GLN 5 2.919 6.055 3.573
23 HA GLN 5 HA GLN 5 1.266 8.549 3.575
24 2HB GLN 5 2HB GLN 5 3.332 9.714 3.077
25 2HG GLN 5 2HG GLN 5 3.870 7.843 5.431
26 1HE2 GLN 5 1HE2 GLN 5 3.734 11.384 4.646
27 2HE2 GLN 5 2HE2 GLN 5 5.332 11.714 5.301
28 H SER 6 H SER 6 2.990 6.045 1.620
29 HA SER 6 HA SER 6 1.337 6.753 -0.658
30 2HB SER 6 2HB SER 6 2.781 8.268 -1.451
31 HG SER 6 HG SER 6 4.376 7.748 0.397
32 H VAL 7 H VAL 7 2.015 5.388 -2.569
33 HA VAL 7 HA VAL 7 1.588 2.760 -1.836
34 HB VAL 7 HB VAL 7 1.154 3.906 -4.027
35 1HG1 VAL 7 1HG1 VAL 7 4.080 3.342 -4.680
36 2HG1 VAL 7 2HG1 VAL 7 2.846 3.994 -5.765
37 3HG1 VAL 7 3HG1 VAL 7 3.397 4.955 -4.385
38 1HG2 VAL 7 1HG2 VAL 7 0.941 1.525 -3.723
39 2HG2 VAL 7 2HG2 VAL 7 1.447 1.936 -5.380
40 3HG2 VAL 7 3HG2 VAL 7 2.638 1.283 -4.222
41 H ARG 8 H ARG 8 4.681 4.383 -2.289
42 HA ARG 8 HA ARG 8 6.543 2.327 -2.306
43 2HB ARG 8 2HB ARG 8 7.983 3.909 -0.999
44 2HG ARG 8 2HG ARG 8 6.429 5.196 -3.291
45 2HD ARG 8 2HD ARG 8 9.205 5.662 -2.122
46 HE ARG 8 HE ARG 8 8.289 6.164 -4.762
47 1HH1 ARG 8 2HH2 ARG 8 9.891 7.835 -2.113
48 2HH1 ARG 8 1HH2 ARG 8 10.824 8.906 -3.111
49 1HH2 ARG 8 1HH1 ARG 8 9.503 7.576 -6.150
50 2HH2 ARG 8 2HH1 ARG 8 10.581 8.753 -5.476
51 H ASP 9 H ASP 9 4.755 3.616 0.589
52 HA ASP 9 HA ASP 9 6.148 2.181 2.582
53 2HB ASP 9 2HB ASP 9 3.810 2.644 3.719
54 H CYS 10 H CYS 10 3.169 1.490 0.657
55 HA CYS 10 HA CYS 10 2.936 -1.132 1.801
56 2HB CYS 10 2HB CYS 10 1.992 -1.043 -0.878
57 H GLN 11 H GLN 11 4.748 0.048 -1.074
58 HA GLN 11 HA GLN 11 5.415 -2.584 -1.942
59 2HB GLN 11 2HB GLN 11 7.397 -1.533 -3.038
60 2HG GLN 11 2HG GLN 11 4.756 -0.043 -3.350
61 1HE2 GLN 11 1HE2 GLN 11 7.401 -1.194 -5.515
62 2HE2 GLN 11 2HE2 GLN 11 7.639 0.368 -6.277
63 H GLN 12 H GLN 12 6.699 -0.738 0.798
64 HA GLN 12 HA GLN 12 8.922 -2.557 1.264
65 2HB GLN 12 2HB GLN 12 8.927 -1.694 3.543
66 2HG GLN 12 2HG GLN 12 8.520 0.520 1.484
67 1HE2 GLN 12 1HE2 GLN 12 7.515 1.277 3.840
68 2HE2 GLN 12 2HE2 GLN 12 8.681 2.233 4.724
69 H TYR 13 H TYR 13 5.467 -2.478 2.256
70 HA TYR 13 HA TYR 13 5.797 -4.849 3.943
71 2HB TYR 13 2HB TYR 13 3.315 -4.703 4.150
72 HD1 TYR 13 1HD TYR 13 3.320 -1.177 4.006
73 HD2 TYR 13 2HD TYR 13 4.997 -4.484 6.208
74 HE1 TYR 13 1HE TYR 13 3.725 0.312 5.935
75 HE2 TYR 13 2HE TYR 13 5.401 -2.993 8.134
76 HH TYR 13 HH TYR 13 5.211 -0.854 8.972
77 H CYS 14 H CYS 14 3.989 -4.341 0.923
78 HA CYS 14 HA CYS 14 3.484 -7.239 0.594
79 2HB CYS 14 2HB CYS 14 1.756 -6.188 -1.118
80 H LEU 15 H LEU 15 3.684 -8.143 -1.570
81 HA LEU 15 HA LEU 15 6.078 -7.176 -2.938
82 2HB LEU 15 2HB LEU 15 4.257 -9.447 -3.815
83 HG LEU 15 HG LEU 15 6.234 -10.600 -4.461
84 1HD1 LEU 15 1HD1 LEU 15 7.028 -9.359 -6.330
85 2HD1 LEU 15 2HD1 LEU 15 5.330 -8.908 -6.096
86 3HD1 LEU 15 3HD1 LEU 15 6.636 -7.809 -5.581
87 1HD2 LEU 15 1HD2 LEU 15 7.738 -9.810 -2.652
88 2HD2 LEU 15 2HD2 LEU 15 8.495 -9.775 -4.254
89 3HD2 LEU 15 3HD2 LEU 15 7.947 -8.268 -3.509
90 H THR 16 H THR 16 2.585 -7.612 -3.514
91 HA THR 16 HA THR 16 2.735 -5.689 -5.819
92 HB THR 16 HB THR 16 0.787 -7.993 -5.587
93 HG1 THR 16 1HG THR 16 2.206 -9.186 -6.810
94 1HG2 THR 16 1HG2 THR 16 0.322 -6.091 -7.170
95 2HG2 THR 16 2HG2 THR 16 1.881 -6.404 -7.949
96 3HG2 THR 16 3HG2 THR 16 0.598 -7.633 -8.013
97 HA PRO 17 HA PRO 17 -0.126 -4.146 -2.741
98 2HB PRO 17 2HB PRO 17 0.726 -2.465 -1.651
99 2HG PRO 17 2HG PRO 17 3.085 -2.502 -1.991
100 2HD PRO 17 2HD PRO 17 2.486 -4.492 -2.447
101 H ASP 18 H ASP 18 -1.961 -2.579 -2.996
102 HA ASP 18 HA ASP 18 -2.943 -2.315 -5.795
103 2HB ASP 18 2HB ASP 18 -4.299 -1.980 -3.088
104 H ARG 19 H ARG 19 -3.027 -0.452 -2.677
105 HA ARG 19 HA ARG 19 -1.719 1.865 -3.891
106 2HB ARG 19 2HB ARG 19 -3.726 2.780 -4.610
107 2HG ARG 19 2HG ARG 19 -5.212 1.037 -2.606
108 2HD ARG 19 2HD ARG 19 -6.226 2.373 -5.175
109 HE ARG 19 HE ARG 19 -6.979 0.119 -4.464
110 1HH1 ARG 19 2HH2 ARG 19 -8.852 2.742 -3.027
111 2HH1 ARG 19 1HH2 ARG 19 -9.620 1.672 -1.870
112 1HH2 ARG 19 1HH1 ARG 19 -7.949 -1.172 -3.285
113 2HH2 ARG 19 2HH1 ARG 19 -9.303 -0.749 -2.226
114 H CYS 20 H CYS 20 -1.203 3.383 -2.339
115 HA CYS 20 HA CYS 20 -1.926 2.901 0.515
116 2HB CYS 20 2HB CYS 20 -0.336 5.118 -0.785
117 H SER 21 H SER 21 -4.153 3.358 0.706
118 HA SER 21 HA SER 21 -5.201 5.882 -0.321
119 2HB SER 21 2HB SER 21 -7.051 4.417 -1.461
120 HG SER 21 HG SER 21 -4.521 5.180 -2.387
121 H TYR 22 H TYR 22 -7.195 6.415 0.696
122 HA TYR 22 HA TYR 22 -8.334 6.649 2.659
123 2HB TYR 22 2HB TYR 22 -9.552 4.614 3.477
124 HD1 TYR 22 1HD TYR 22 -9.096 4.299 -0.237
125 HD2 TYR 22 2HD TYR 22 -11.550 5.753 2.994
126 HE1 TYR 22 1HE TYR 22 -10.953 4.703 -1.826
127 HE2 TYR 22 2HE TYR 22 -13.397 6.154 1.406
128 HH TYR 22 HH TYR 22 -14.109 6.001 -0.786
129 H GLY 23 H GLY 23 -5.595 6.624 2.976
130 1HA GLY 23 2HA GLY 23 -3.909 6.404 4.487
131 2HA GLY 23 3HA GLY 23 -5.194 6.307 5.706
132 H THR 24 H THR 24 -5.054 3.832 3.241
133 HA THR 24 HA THR 24 -4.068 1.830 5.184
134 HB THR 24 HB THR 24 -6.352 1.620 3.170
135 HG1 THR 24 1HG THR 24 -6.885 2.899 4.973
136 1HG2 THR 24 1HG2 THR 24 -5.445 -0.340 5.314
137 2HG2 THR 24 2HG2 THR 24 -6.865 -0.504 4.269
138 3HG2 THR 24 3HG2 THR 24 -5.244 -0.565 3.561
139 H CYS 25 H CYS 25 -2.522 0.417 4.308
140 HA CYS 25 HA CYS 25 -1.791 0.881 1.456
141 2HB CYS 25 2HB CYS 25 -0.135 0.656 3.591
142 H TYR 26 H TYR 26 -3.487 0.090 0.452
143 HA TYR 26 HA TYR 26 -4.743 -2.497 0.918
144 2HB TYR 26 2HB TYR 26 -5.642 -1.966 -1.423
145 HD1 TYR 26 1HD TYR 26 -5.603 1.409 -0.077
146 HD2 TYR 26 2HD TYR 26 -7.526 -2.436 0.069
147 HE1 TYR 26 1HE TYR 26 -7.820 2.501 0.098
148 HE2 TYR 26 2HE TYR 26 -9.717 -1.343 0.364
149 HH TYR 26 HH TYR 26 -10.856 0.770 0.169
150 H CYS 27 H CYS 27 -4.128 -4.479 -0.063
151 HA CYS 27 HA CYS 27 -1.903 -4.326 -1.954
152 2HB CYS 27 2HB CYS 27 -0.988 -6.363 -1.217
153 H LYS 28 H LYS 28 -1.931 -5.377 -3.903
154 HA LYS 28 HA LYS 28 -4.584 -6.040 -4.807
155 2HB LYS 28 2HB LYS 28 -1.883 -5.994 -6.263
156 2HG LYS 28 2HG LYS 28 -3.340 -4.907 -7.998
157 2HD LYS 28 2HD LYS 28 -2.738 -7.622 -7.627
158 2HE LYS 28 2HE LYS 28 -5.540 -7.377 -8.826
159 1HZ LYS 28 1HZ LYS 28 -3.903 -9.684 -7.975
160 2HZ LYS 28 2HZ LYS 28 -5.437 -9.783 -8.566
161 3HZ LYS 28 3HZ LYS 28 -4.215 -9.260 -9.539
162 H THR 29 H THR 29 -1.353 -7.586 -4.556
163 HA THR 29 HA THR 29 -2.616 -10.159 -3.985
164 HB THR 29 HB THR 29 -0.878 -9.998 -6.484
165 HG1 THR 29 1HG THR 29 -3.609 -9.926 -5.973
166 1HG2 THR 29 1HG2 THR 29 -2.485 -12.283 -5.231
167 2HG2 THR 29 2HG2 THR 29 -1.652 -12.338 -6.796
168 3HG2 THR 29 3HG2 THR 29 -0.712 -12.186 -5.306
169 H THR 30 H THR 30 -1.566 -9.339 -2.017
170 HA THR 30 HA THR 30 0.524 -11.231 -1.699
171 HB THR 30 HB THR 30 1.094 -8.470 -0.548
172 HG1 THR 30 1HG THR 30 1.775 -9.551 -3.005
173 1HG2 THR 30 1HG2 THR 30 2.079 -10.361 0.701
174 2HG2 THR 30 2HG2 THR 30 2.774 -11.011 -0.801
175 3HG2 THR 30 3HG2 THR 30 3.355 -9.484 -0.128
176 1HN NH2 31 H NH2 31 0.373 -12.017 0.560
177 2HN NH2 31 2HN NH2 31 -0.977 -11.502 1.552
Start of MODEL 17
1 HA PCA 1 HA PCA 1 2.084 7.410 6.548
2 1HB PCA 1 3HB PCA 1 4.059 8.150 7.481
3 2HB PCA 1 2HB PCA 1 3.201 7.861 9.020
4 1HG PCA 1 2HG PCA 1 2.702 10.193 9.237
5 2HG PCA 1 3HG PCA 1 4.221 10.332 8.301
6 H THR 2 H THR 2 -0.240 7.084 6.530
7 HA THR 2 HA THR 2 -1.452 6.973 9.287
8 HB THR 2 HB THR 2 -2.663 6.303 6.618
9 HG1 THR 2 1HG THR 2 -2.134 8.555 7.089
10 1HG2 THR 2 1HG2 THR 2 -4.803 6.406 7.946
11 2HG2 THR 2 2HG2 THR 2 -3.759 5.146 8.617
12 3HG2 THR 2 3HG2 THR 2 -3.872 6.725 9.414
13 H GLN 3 H GLN 3 -2.281 4.377 7.321
14 HA GLN 3 HA GLN 3 -0.293 2.509 8.445
15 2HB GLN 3 2HB GLN 3 -0.899 1.076 6.522
16 2HG GLN 3 2HG GLN 3 -3.470 2.062 7.892
17 1HE2 GLN 3 1HE2 GLN 3 -4.500 0.217 8.786
18 2HE2 GLN 3 2HE2 GLN 3 -4.675 -1.085 7.664
19 H CYS 4 H CYS 4 -0.663 4.639 5.647
20 HA CYS 4 HA CYS 4 2.187 4.447 4.930
21 2HB CYS 4 2HB CYS 4 1.143 2.799 3.524
22 H GLN 5 H GLN 5 2.866 6.220 3.723
23 HA GLN 5 HA GLN 5 1.157 8.677 3.696
24 2HB GLN 5 2HB GLN 5 4.001 8.449 2.739
25 2HG GLN 5 2HG GLN 5 2.414 10.588 4.252
26 1HE2 GLN 5 1HE2 GLN 5 3.858 11.950 5.265
27 2HE2 GLN 5 2HE2 GLN 5 5.442 12.350 4.621
28 H SER 6 H SER 6 2.618 6.218 1.620
29 HA SER 6 HA SER 6 1.125 7.044 -0.739
30 2HB SER 6 2HB SER 6 3.335 7.421 -2.058
31 HG SER 6 HG SER 6 2.132 9.215 -0.275
32 H VAL 7 H VAL 7 1.755 5.553 -2.640
33 HA VAL 7 HA VAL 7 1.487 2.991 -1.933
34 HB VAL 7 HB VAL 7 1.162 4.101 -4.143
35 1HG1 VAL 7 1HG1 VAL 7 3.426 5.135 -4.398
36 2HG1 VAL 7 2HG1 VAL 7 4.109 3.511 -4.646
37 3HG1 VAL 7 3HG1 VAL 7 2.929 4.162 -5.791
38 1HG2 VAL 7 1HG2 VAL 7 2.634 1.458 -4.195
39 2HG2 VAL 7 2HG2 VAL 7 0.913 1.724 -3.814
40 3HG2 VAL 7 3HG2 VAL 7 1.528 2.093 -5.438
41 H ARG 8 H ARG 8 4.619 4.610 -2.302
42 HA ARG 8 HA ARG 8 6.390 2.470 -2.208
43 2HB ARG 8 2HB ARG 8 7.961 4.023 -1.098
44 2HG ARG 8 2HG ARG 8 6.348 5.359 -3.322
45 2HD ARG 8 2HD ARG 8 9.299 5.453 -2.557
46 HE ARG 8 HE ARG 8 9.461 5.985 -4.757
47 1HH1 ARG 8 2HH2 ARG 8 6.715 7.723 -3.408
48 2HH1 ARG 8 1HH2 ARG 8 6.443 8.732 -4.795
49 1HH2 ARG 8 1HH1 ARG 8 9.134 7.287 -6.639
50 2HH2 ARG 8 2HH1 ARG 8 7.861 8.459 -6.686
51 H ASP 9 H ASP 9 4.562 3.902 0.559
52 HA ASP 9 HA ASP 9 5.959 2.395 2.555
53 2HB ASP 9 2HB ASP 9 3.540 2.950 3.646
54 H CYS 10 H CYS 10 3.070 1.785 0.524
55 HA CYS 10 HA CYS 10 2.714 -0.778 1.856
56 2HB CYS 10 2HB CYS 10 1.908 -0.744 -0.865
57 H GLN 11 H GLN 11 4.694 0.381 -0.895
58 HA GLN 11 HA GLN 11 5.374 -2.216 -1.846
59 2HB GLN 11 2HB GLN 11 7.422 -1.222 -2.769
60 2HG GLN 11 2HG GLN 11 4.866 0.369 -3.216
61 1HE2 GLN 11 1HE2 GLN 11 7.619 -0.938 -5.159
62 2HE2 GLN 11 2HE2 GLN 11 7.931 0.579 -5.985
63 H GLN 12 H GLN 12 6.791 -0.225 0.767
64 HA GLN 12 HA GLN 12 8.836 -2.046 1.595
65 2HB GLN 12 2HB GLN 12 8.522 -0.974 3.848
66 2HG GLN 12 2HG GLN 12 9.082 0.483 1.327
67 1HE2 GLN 12 1HE2 GLN 12 7.892 1.463 4.601
68 2HE2 GLN 12 2HE2 GLN 12 7.459 3.081 4.067
69 H TYR 13 H TYR 13 5.337 -1.956 2.285
70 HA TYR 13 HA TYR 13 5.384 -4.124 4.171
71 2HB TYR 13 2HB TYR 13 2.911 -3.250 2.679
72 HD1 TYR 13 1HD TYR 13 1.943 -5.384 3.644
73 HD2 TYR 13 2HD TYR 13 3.610 -2.289 6.136
74 HE1 TYR 13 1HE TYR 13 0.754 -6.321 5.605
75 HE2 TYR 13 2HE TYR 13 2.434 -3.230 8.094
76 HH TYR 13 HH TYR 13 1.032 -4.889 8.867
77 H CYS 14 H CYS 14 4.808 -4.022 0.695
78 HA CYS 14 HA CYS 14 3.973 -6.887 0.511
79 2HB CYS 14 2HB CYS 14 2.211 -5.825 -1.205
80 H LEU 15 H LEU 15 4.705 -7.852 -1.362
81 HA LEU 15 HA LEU 15 6.692 -6.598 -2.919
82 2HB LEU 15 2HB LEU 15 5.026 -8.909 -3.963
83 HG LEU 15 HG LEU 15 7.081 -9.906 -4.612
84 1HD1 LEU 15 1HD1 LEU 15 6.222 -8.116 -6.159
85 2HD1 LEU 15 2HD1 LEU 15 7.431 -7.011 -5.456
86 3HD1 LEU 15 3HD1 LEU 15 7.952 -8.468 -6.305
87 1HD2 LEU 15 1HD2 LEU 15 8.640 -7.614 -3.348
88 2HD2 LEU 15 2HD2 LEU 15 8.453 -9.241 -2.660
89 3HD2 LEU 15 3HD2 LEU 15 9.295 -9.019 -4.201
90 H THR 16 H THR 16 3.212 -7.163 -3.622
91 HA THR 16 HA THR 16 3.357 -5.076 -5.774
92 HB THR 16 HB THR 16 1.654 -7.581 -5.921
93 HG1 THR 16 1HG THR 16 3.936 -8.023 -6.011
94 1HG2 THR 16 1HG2 THR 16 2.540 -5.524 -8.001
95 2HG2 THR 16 2HG2 THR 16 1.478 -6.919 -8.285
96 3HG2 THR 16 3HG2 THR 16 0.932 -5.576 -7.255
97 HA PRO 17 HA PRO 17 0.163 -3.930 -2.861
98 2HB PRO 17 2HB PRO 17 0.848 -2.214 -1.747
99 2HG PRO 17 2HG PRO 17 3.181 -1.910 -2.055
100 2HD PRO 17 2HD PRO 17 2.798 -3.965 -2.423
101 H ASP 18 H ASP 18 -1.756 -2.445 -3.241
102 HA ASP 18 HA ASP 18 -2.509 -2.290 -6.098
103 2HB ASP 18 2HB ASP 18 -4.470 -1.949 -3.821
104 H ARG 19 H ARG 19 -3.021 -0.475 -2.937
105 HA ARG 19 HA ARG 19 -1.924 1.938 -4.172
106 2HB ARG 19 2HB ARG 19 -4.056 2.606 -4.833
107 2HG ARG 19 2HG ARG 19 -5.239 1.044 -2.532
108 2HD ARG 19 2HD ARG 19 -6.558 2.199 -5.073
109 HE ARG 19 HE ARG 19 -8.134 0.887 -2.949
110 1HH1 ARG 19 2HH2 ARG 19 -6.758 0.482 -6.214
111 2HH1 ARG 19 1HH2 ARG 19 -6.853 -1.274 -6.071
112 1HH2 ARG 19 1HH1 ARG 19 -8.454 -1.476 -3.043
113 2HH2 ARG 19 2HH1 ARG 19 -7.642 -2.266 -4.398
114 H CYS 20 H CYS 20 -1.504 3.528 -2.605
115 HA CYS 20 HA CYS 20 -2.076 2.899 0.260
116 2HB CYS 20 2HB CYS 20 -0.521 5.199 -0.953
117 H SER 21 H SER 21 -4.199 3.542 0.714
118 HA SER 21 HA SER 21 -5.346 5.950 -0.478
119 2HB SER 21 2HB SER 21 -7.207 4.272 -1.399
120 HG SER 21 HG SER 21 -4.775 5.128 -2.533
121 H TYR 22 H TYR 22 -7.166 6.607 0.691
122 HA TYR 22 HA TYR 22 -8.235 6.923 2.673
123 2HB TYR 22 2HB TYR 22 -9.610 5.097 3.508
124 HD1 TYR 22 1HD TYR 22 -9.092 3.585 0.201
125 HD2 TYR 22 2HD TYR 22 -11.143 6.694 2.372
126 HE1 TYR 22 1HE TYR 22 -10.687 3.850 -1.678
127 HE2 TYR 22 2HE TYR 22 -12.732 6.953 0.496
128 HH TYR 22 HH TYR 22 -13.364 6.208 -1.596
129 H GLY 23 H GLY 23 -5.470 6.768 2.893
130 1HA GLY 23 2HA GLY 23 -3.734 6.492 4.339
131 2HA GLY 23 3HA GLY 23 -4.960 6.503 5.615
132 H THR 24 H THR 24 -5.136 3.966 3.233
133 HA THR 24 HA THR 24 -4.167 1.936 5.159
134 HB THR 24 HB THR 24 -6.483 1.818 3.184
135 HG1 THR 24 1HG THR 24 -6.908 3.160 4.988
136 1HG2 THR 24 1HG2 THR 24 -5.691 -0.150 5.359
137 2HG2 THR 24 2HG2 THR 24 -7.093 -0.260 4.288
138 3HG2 THR 24 3HG2 THR 24 -5.462 -0.413 3.614
139 H CYS 25 H CYS 25 -2.792 0.360 4.220
140 HA CYS 25 HA CYS 25 -1.988 0.909 1.395
141 2HB CYS 25 2HB CYS 25 -0.394 0.640 3.625
142 H TYR 26 H TYR 26 -3.330 -0.045 0.131
143 HA TYR 26 HA TYR 26 -4.622 -2.653 0.613
144 2HB TYR 26 2HB TYR 26 -5.352 -2.122 -1.815
145 HD1 TYR 26 1HD TYR 26 -7.503 -2.610 -1.012
146 HD2 TYR 26 2HD TYR 26 -5.524 1.031 0.189
147 HE1 TYR 26 1HE TYR 26 -9.667 -1.688 -0.226
148 HE2 TYR 26 2HE TYR 26 -7.678 1.894 1.060
149 HH TYR 26 HH TYR 26 -9.928 1.485 1.383
150 H CYS 27 H CYS 27 -3.773 -4.596 -0.272
151 HA CYS 27 HA CYS 27 -1.695 -4.335 -2.325
152 2HB CYS 27 2HB CYS 27 -0.495 -6.191 -1.513
153 H LYS 28 H LYS 28 -1.582 -5.926 -3.992
154 HA LYS 28 HA LYS 28 -4.276 -6.419 -4.904
155 2HB LYS 28 2HB LYS 28 -3.232 -7.363 -6.872
156 2HG LYS 28 2HG LYS 28 -1.492 -5.044 -5.972
157 2HD LYS 28 2HD LYS 28 -1.234 -6.209 -8.276
158 2HE LYS 28 2HE LYS 28 -3.736 -6.139 -8.805
159 1HZ LYS 28 1HZ LYS 28 -4.563 -4.043 -9.625
160 2HZ LYS 28 2HZ LYS 28 -4.153 -3.846 -8.058
161 3HZ LYS 28 3HZ LYS 28 -3.175 -3.262 -9.212
162 H THR 29 H THR 29 -1.706 -8.465 -3.489
163 HA THR 29 HA THR 29 -3.595 -10.410 -2.632
164 HB THR 29 HB THR 29 -1.384 -11.328 -4.543
165 HG1 THR 29 1HG THR 29 -4.005 -10.594 -5.025
166 1HG2 THR 29 1HG2 THR 29 -2.563 -13.500 -4.414
167 2HG2 THR 29 2HG2 THR 29 -2.012 -12.992 -2.808
168 3HG2 THR 29 3HG2 THR 29 -3.724 -12.817 -3.260
169 H THR 30 H THR 30 -2.743 -11.122 -0.705
170 HA THR 30 HA THR 30 -0.854 -9.801 0.630
171 HB THR 30 HB THR 30 -1.351 -12.744 1.189
172 HG1 THR 30 1HG THR 30 -3.423 -12.038 1.950
173 1HG2 THR 30 1HG2 THR 30 -1.423 -10.255 2.959
174 2HG2 THR 30 2HG2 THR 30 -1.609 -11.935 3.499
175 3HG2 THR 30 3HG2 THR 30 -0.057 -11.385 2.841
176 1HN NH2 31 H NH2 31 -0.237 -12.870 -1.169
177 2HN NH2 31 2HN NH2 31 1.511 -12.761 -1.060
Start of MODEL 18
1 HA PCA 1 HA PCA 1 0.998 8.480 6.213
2 1HB PCA 1 3HB PCA 1 3.258 8.449 6.816
3 2HB PCA 1 2HB PCA 1 2.674 7.344 8.094
4 1HG PCA 1 2HG PCA 1 2.726 9.099 9.704
5 2HG PCA 1 3HG PCA 1 3.984 9.740 8.606
6 H THR 2 H THR 2 -0.704 7.129 6.534
7 HA THR 2 HA THR 2 -1.853 6.715 9.274
8 HB THR 2 HB THR 2 -2.983 6.011 6.576
9 HG1 THR 2 1HG THR 2 -4.250 7.888 6.933
10 1HG2 THR 2 1HG2 THR 2 -5.133 5.917 7.866
11 2HG2 THR 2 2HG2 THR 2 -3.991 4.781 8.590
12 3HG2 THR 2 3HG2 THR 2 -4.269 6.358 9.349
13 H GLN 3 H GLN 3 -2.506 4.121 7.268
14 HA GLN 3 HA GLN 3 -0.521 2.307 8.413
15 2HB GLN 3 2HB GLN 3 -0.984 0.930 6.382
16 2HG GLN 3 2HG GLN 3 -3.633 1.804 7.674
17 1HE2 GLN 3 1HE2 GLN 3 -4.696 -0.085 8.395
18 2HE2 GLN 3 2HE2 GLN 3 -4.778 -1.337 7.208
19 H CYS 4 H CYS 4 -0.768 4.427 5.618
20 HA CYS 4 HA CYS 4 2.113 4.338 5.008
21 2HB CYS 4 2HB CYS 4 1.149 2.693 3.498
22 H GLN 5 H GLN 5 2.596 6.008 3.450
23 HA GLN 5 HA GLN 5 0.853 8.436 3.507
24 2HB GLN 5 2HB GLN 5 3.756 8.594 2.826
25 2HG GLN 5 2HG GLN 5 1.901 10.136 4.711
26 1HE2 GLN 5 1HE2 GLN 5 4.579 11.027 2.469
27 2HE2 GLN 5 2HE2 GLN 5 5.561 11.753 3.731
28 H SER 6 H SER 6 2.693 6.082 1.508
29 HA SER 6 HA SER 6 1.363 7.004 -0.942
30 2HB SER 6 2HB SER 6 3.661 7.353 -2.043
31 HG SER 6 HG SER 6 2.379 9.074 -0.289
32 H VAL 7 H VAL 7 1.902 5.422 -2.758
33 HA VAL 7 HA VAL 7 1.651 2.873 -1.956
34 HB VAL 7 HB VAL 7 1.243 3.907 -4.188
35 1HG1 VAL 7 1HG1 VAL 7 3.475 4.979 -4.544
36 2HG1 VAL 7 2HG1 VAL 7 4.190 3.364 -4.758
37 3HG1 VAL 7 3HG1 VAL 7 2.965 3.951 -5.892
38 1HG2 VAL 7 1HG2 VAL 7 1.069 1.528 -3.780
39 2HG2 VAL 7 2HG2 VAL 7 1.599 1.876 -5.441
40 3HG2 VAL 7 3HG2 VAL 7 2.776 1.300 -4.233
41 H ARG 8 H ARG 8 4.708 4.531 -2.396
42 HA ARG 8 HA ARG 8 6.671 2.593 -2.291
43 2HB ARG 8 2HB ARG 8 7.974 4.255 -0.961
44 2HG ARG 8 2HG ARG 8 6.346 5.424 -3.268
45 2HD ARG 8 2HD ARG 8 9.008 6.277 -2.061
46 HE ARG 8 HE ARG 8 8.066 6.677 -4.659
47 1HH1 ARG 8 2HH2 ARG 8 9.054 8.685 -1.941
48 2HH1 ARG 8 1HH2 ARG 8 9.544 10.049 -2.898
49 1HH2 ARG 8 1HH1 ARG 8 8.718 8.463 -5.986
50 2HH2 ARG 8 2HH1 ARG 8 9.358 9.902 -5.266
51 H ASP 9 H ASP 9 4.711 3.781 0.532
52 HA ASP 9 HA ASP 9 6.007 2.353 2.598
53 2HB ASP 9 2HB ASP 9 3.577 2.651 3.543
54 H CYS 10 H CYS 10 3.150 1.584 0.525
55 HA CYS 10 HA CYS 10 2.897 -1.072 1.605
56 2HB CYS 10 2HB CYS 10 2.034 -0.918 -1.054
57 H GLN 11 H GLN 11 4.870 0.187 -1.063
58 HA GLN 11 HA GLN 11 5.520 -2.374 -2.112
59 2HB GLN 11 2HB GLN 11 7.609 -1.337 -2.951
60 2HG GLN 11 2HG GLN 11 5.036 0.246 -3.356
61 1HE2 GLN 11 1HE2 GLN 11 7.821 -0.927 -5.336
62 2HE2 GLN 11 2HE2 GLN 11 8.125 0.635 -6.076
63 H GLN 12 H GLN 12 6.502 -0.897 0.933
64 HA GLN 12 HA GLN 12 8.623 -2.897 1.403
65 2HB GLN 12 2HB GLN 12 8.713 -1.936 3.634
66 2HG GLN 12 2HG GLN 12 8.611 0.184 1.427
67 1HE2 GLN 12 1HE2 GLN 12 10.240 -0.720 4.548
68 2HE2 GLN 12 2HE2 GLN 12 10.427 0.950 5.056
69 H TYR 13 H TYR 13 5.247 -2.235 2.462
70 HA TYR 13 HA TYR 13 5.147 -4.499 4.241
71 2HB TYR 13 2HB TYR 13 2.718 -4.062 4.287
72 HD1 TYR 13 1HD TYR 13 2.969 -0.609 3.594
73 HD2 TYR 13 2HD TYR 13 4.143 -3.589 6.478
74 HE1 TYR 13 1HE TYR 13 2.843 1.067 5.335
75 HE2 TYR 13 2HE TYR 13 3.967 -1.874 8.265
76 HH TYR 13 HH TYR 13 2.673 1.402 7.584
77 H CYS 14 H CYS 14 4.684 -4.295 0.783
78 HA CYS 14 HA CYS 14 3.644 -7.059 0.546
79 2HB CYS 14 2HB CYS 14 1.942 -5.972 -1.178
80 H LEU 15 H LEU 15 4.390 -8.022 -1.316
81 HA LEU 15 HA LEU 15 6.471 -6.733 -2.811
82 2HB LEU 15 2HB LEU 15 6.112 -8.784 -4.347
83 HG LEU 15 HG LEU 15 6.997 -10.436 -2.800
84 1HD1 LEU 15 1HD1 LEU 15 8.492 -8.762 -3.879
85 2HD1 LEU 15 2HD1 LEU 15 8.402 -7.762 -2.413
86 3HD1 LEU 15 3HD1 LEU 15 9.111 -9.381 -2.338
87 1HD2 LEU 15 1HD2 LEU 15 7.472 -9.998 -0.482
88 2HD2 LEU 15 2HD2 LEU 15 6.795 -8.368 -0.578
89 3HD2 LEU 15 3HD2 LEU 15 5.732 -9.789 -0.748
90 H THR 16 H THR 16 3.005 -7.319 -3.493
91 HA THR 16 HA THR 16 3.244 -5.447 -5.826
92 HB THR 16 HB THR 16 1.446 -7.890 -5.753
93 HG1 THR 16 1HG THR 16 3.730 -8.389 -5.828
94 1HG2 THR 16 1HG2 THR 16 0.752 -5.999 -7.244
95 2HG2 THR 16 2HG2 THR 16 2.360 -6.023 -7.992
96 3HG2 THR 16 3HG2 THR 16 1.278 -7.419 -8.171
97 HA PRO 17 HA PRO 17 0.115 -4.012 -3.004
98 2HB PRO 17 2HB PRO 17 0.865 -2.318 -1.913
99 2HG PRO 17 2HG PRO 17 3.250 -2.118 -2.228
100 2HD PRO 17 2HD PRO 17 2.655 -4.173 -2.487
101 H ASP 18 H ASP 18 -1.787 -2.577 -3.357
102 HA ASP 18 HA ASP 18 -2.609 -2.319 -6.188
103 2HB ASP 18 2HB ASP 18 -4.278 -1.746 -3.709
104 H ARG 19 H ARG 19 -2.864 -0.406 -3.092
105 HA ARG 19 HA ARG 19 -1.527 1.920 -4.254
106 2HB ARG 19 2HB ARG 19 -3.530 2.792 -5.013
107 2HG ARG 19 2HG ARG 19 -5.076 1.081 -3.028
108 2HD ARG 19 2HD ARG 19 -5.870 2.611 -5.554
109 HE ARG 19 HE ARG 19 -6.743 0.040 -4.678
110 1HH1 ARG 19 2HH2 ARG 19 -8.144 2.872 -6.221
111 2HH1 ARG 19 1HH2 ARG 19 -8.906 1.949 -7.488
112 1HH2 ARG 19 1HH1 ARG 19 -7.469 -1.086 -6.225
113 2HH2 ARG 19 2HH1 ARG 19 -8.593 -0.504 -7.457
114 H CYS 20 H CYS 20 -1.110 3.466 -2.657
115 HA CYS 20 HA CYS 20 -1.926 2.896 0.157
116 2HB CYS 20 2HB CYS 20 -0.323 5.202 -0.966
117 H SER 21 H SER 21 -4.110 3.419 0.388
118 HA SER 21 HA SER 21 -5.179 5.891 -0.729
119 2HB SER 21 2HB SER 21 -6.995 4.309 -1.851
120 HG SER 21 HG SER 21 -4.481 5.165 -2.796
121 H TYR 22 H TYR 22 -7.128 6.451 0.347
122 HA TYR 22 HA TYR 22 -8.479 6.513 2.193
123 2HB TYR 22 2HB TYR 22 -8.752 3.597 2.302
124 HD1 TYR 22 1HD TYR 22 -11.452 4.183 0.548
125 HD2 TYR 22 2HD TYR 22 -9.840 5.524 4.326
126 HE1 TYR 22 1HE TYR 22 -13.734 4.584 1.384
127 HE2 TYR 22 2HE TYR 22 -12.129 5.928 5.147
128 HH TYR 22 HH TYR 22 -15.028 5.275 3.164
129 H GLY 23 H GLY 23 -5.701 6.559 2.717
130 1HA GLY 23 2HA GLY 23 -4.136 6.351 4.359
131 2HA GLY 23 3HA GLY 23 -5.489 6.145 5.483
132 H THR 24 H THR 24 -5.233 3.782 2.952
133 HA THR 24 HA THR 24 -4.275 1.719 4.847
134 HB THR 24 HB THR 24 -6.435 1.576 2.699
135 HG1 THR 24 1HG THR 24 -7.086 2.780 4.518
136 1HG2 THR 24 1HG2 THR 24 -5.660 -0.464 4.816
137 2HG2 THR 24 2HG2 THR 24 -6.995 -0.593 3.660
138 3HG2 THR 24 3HG2 THR 24 -5.325 -0.614 3.075
139 H CYS 25 H CYS 25 -2.684 0.346 3.974
140 HA CYS 25 HA CYS 25 -1.828 0.926 1.173
141 2HB CYS 25 2HB CYS 25 -0.260 0.636 3.389
142 H TYR 26 H TYR 26 -3.410 0.112 0.029
143 HA TYR 26 HA TYR 26 -4.699 -2.476 0.489
144 2HB TYR 26 2HB TYR 26 -5.510 -1.922 -1.906
145 HD1 TYR 26 1HD TYR 26 -5.799 1.397 -0.462
146 HD2 TYR 26 2HD TYR 26 -7.333 -2.627 -0.367
147 HE1 TYR 26 1HE TYR 26 -7.992 2.235 0.357
148 HE2 TYR 26 2HE TYR 26 -9.447 -1.797 0.629
149 HH TYR 26 HH TYR 26 -10.000 1.662 1.325
150 H CYS 27 H CYS 27 -3.942 -4.435 -0.356
151 HA CYS 27 HA CYS 27 -1.614 -4.247 -2.129
152 2HB CYS 27 2HB CYS 27 -0.778 -6.312 -1.376
153 H LYS 28 H LYS 28 -1.437 -5.490 -4.054
154 HA LYS 28 HA LYS 28 -4.013 -5.620 -5.269
155 2HB LYS 28 2HB LYS 28 -1.646 -6.816 -6.672
156 2HG LYS 28 2HG LYS 28 -2.189 -5.263 -8.430
157 2HD LYS 28 2HD LYS 28 -3.768 -7.361 -7.952
158 2HE LYS 28 2HE LYS 28 -5.982 -5.449 -8.514
159 1HZ LYS 28 1HZ LYS 28 -6.354 -7.776 -8.003
160 2HZ LYS 28 2HZ LYS 28 -5.698 -7.584 -6.501
161 3HZ LYS 28 3HZ LYS 28 -7.109 -6.826 -6.886
162 H THR 29 H THR 29 -1.745 -7.917 -3.937
163 HA THR 29 HA THR 29 -3.875 -9.794 -3.532
164 HB THR 29 HB THR 29 -1.367 -10.954 -4.818
165 HG1 THR 29 1HG THR 29 -3.648 -9.849 -5.991
166 1HG2 THR 29 1HG2 THR 29 -2.931 -12.505 -3.505
167 2HG2 THR 29 2HG2 THR 29 -4.243 -11.986 -4.571
168 3HG2 THR 29 3HG2 THR 29 -2.861 -12.869 -5.237
169 H THR 30 H THR 30 -1.338 -11.613 -2.717
170 HA THR 30 HA THR 30 -1.220 -10.456 -0.054
171 HB THR 30 HB THR 30 -1.315 -12.867 -0.395
172 HG1 THR 30 1HG THR 30 0.242 -13.314 1.149
173 1HG2 THR 30 1HG2 THR 30 0.111 -13.109 -2.427
174 2HG2 THR 30 2HG2 THR 30 1.536 -12.639 -1.477
175 3HG2 THR 30 3HG2 THR 30 0.668 -14.137 -1.101
176 1HN NH2 31 H NH2 31 1.197 -10.652 0.896
177 2HN NH2 31 2HN NH2 31 2.295 -9.483 0.157
Start of MODEL 19
1 HA PCA 1 HA PCA 1 0.133 8.997 6.165
2 1HB PCA 1 3HB PCA 1 2.134 9.470 7.367
3 2HB PCA 1 2HB PCA 1 1.465 8.212 8.448
4 1HG PCA 1 2HG PCA 1 0.623 9.874 9.948
5 2HG PCA 1 3HG PCA 1 2.032 10.775 9.306
6 H THR 2 H THR 2 -0.571 6.836 6.638
7 HA THR 2 HA THR 2 -2.035 6.340 9.171
8 HB THR 2 HB THR 2 -3.297 5.752 6.511
9 HG1 THR 2 1HG THR 2 -3.368 7.974 8.103
10 1HG2 THR 2 1HG2 THR 2 -4.401 5.672 9.377
11 2HG2 THR 2 2HG2 THR 2 -5.318 5.296 7.909
12 3HG2 THR 2 3HG2 THR 2 -4.015 4.221 8.432
13 H GLN 3 H GLN 3 -2.540 3.842 7.008
14 HA GLN 3 HA GLN 3 -0.403 2.188 8.071
15 2HB GLN 3 2HB GLN 3 -0.810 0.776 6.057
16 2HG GLN 3 2HG GLN 3 -3.466 1.529 7.418
17 1HE2 GLN 3 1HE2 GLN 3 -4.431 -0.388 8.188
18 2HE2 GLN 3 2HE2 GLN 3 -4.493 -1.659 7.021
19 H CYS 4 H CYS 4 -0.740 4.412 5.368
20 HA CYS 4 HA CYS 4 2.146 4.409 4.744
21 2HB CYS 4 2HB CYS 4 1.247 2.767 3.220
22 H GLN 5 H GLN 5 2.501 6.109 3.095
23 HA GLN 5 HA GLN 5 0.631 8.439 3.164
24 2HB GLN 5 2HB GLN 5 2.684 9.743 2.551
25 2HG GLN 5 2HG GLN 5 2.785 8.234 5.202
26 1HE2 GLN 5 1HE2 GLN 5 3.660 11.380 3.598
27 2HE2 GLN 5 2HE2 GLN 5 5.090 11.614 4.589
28 H SER 6 H SER 6 2.605 6.166 1.152
29 HA SER 6 HA SER 6 1.066 6.877 -1.238
30 2HB SER 6 2HB SER 6 3.261 7.415 -2.482
31 HG SER 6 HG SER 6 1.889 9.062 -0.706
32 H VAL 7 H VAL 7 1.767 5.363 -3.092
33 HA VAL 7 HA VAL 7 1.688 2.814 -2.255
34 HB VAL 7 HB VAL 7 1.180 3.788 -4.489
35 1HG1 VAL 7 1HG1 VAL 7 3.329 5.000 -4.896
36 2HG1 VAL 7 2HG1 VAL 7 4.147 3.435 -5.098
37 3HG1 VAL 7 3HG1 VAL 7 2.871 3.921 -6.222
38 1HG2 VAL 7 1HG2 VAL 7 1.160 1.412 -4.055
39 2HG2 VAL 7 2HG2 VAL 7 1.653 1.768 -5.723
40 3HG2 VAL 7 3HG2 VAL 7 2.877 1.285 -4.522
41 H ARG 8 H ARG 8 4.671 4.645 -2.794
42 HA ARG 8 HA ARG 8 6.655 2.778 -2.702
43 2HB ARG 8 2HB ARG 8 6.683 5.375 -1.115
44 2HG ARG 8 2HG ARG 8 8.719 3.970 -2.887
45 2HD ARG 8 2HD ARG 8 8.978 6.412 -1.076
46 HE ARG 8 HE ARG 8 10.995 4.707 -2.094
47 1HH1 ARG 8 2HH2 ARG 8 10.208 8.134 -1.977
48 2HH1 ARG 8 1HH2 ARG 8 11.847 8.700 -2.092
49 1HH2 ARG 8 1HH1 ARG 8 13.206 5.403 -2.253
50 2HH2 ARG 8 2HH1 ARG 8 13.595 7.092 -2.248
51 H ASP 9 H ASP 9 4.658 3.875 0.099
52 HA ASP 9 HA ASP 9 6.134 2.612 2.194
53 2HB ASP 9 2HB ASP 9 3.759 2.872 3.233
54 H CYS 10 H CYS 10 3.209 1.689 0.284
55 HA CYS 10 HA CYS 10 3.114 -0.917 1.432
56 2HB CYS 10 2HB CYS 10 2.178 -0.923 -1.215
57 H GLN 11 H GLN 11 4.944 0.288 -1.354
58 HA GLN 11 HA GLN 11 5.632 -2.240 -2.407
59 2HB GLN 11 2HB GLN 11 7.738 -1.101 -3.214
60 2HG GLN 11 2HG GLN 11 5.062 0.275 -3.689
61 1HE2 GLN 11 1HE2 GLN 11 8.009 -0.693 -5.558
62 2HE2 GLN 11 2HE2 GLN 11 8.189 0.872 -6.330
63 H GLN 12 H GLN 12 6.649 -0.775 0.620
64 HA GLN 12 HA GLN 12 8.870 -2.690 1.022
65 2HB GLN 12 2HB GLN 12 9.025 -1.564 3.228
66 2HG GLN 12 2HG GLN 12 9.096 0.065 0.661
67 1HE2 GLN 12 1HE2 GLN 12 8.085 2.012 1.192
68 2HE2 GLN 12 2HE2 GLN 12 8.685 3.054 2.478
69 H TYR 13 H TYR 13 5.532 -2.028 2.215
70 HA TYR 13 HA TYR 13 5.506 -4.247 4.062
71 2HB TYR 13 2HB TYR 13 3.015 -3.980 3.950
72 HD1 TYR 13 1HD TYR 13 3.638 -0.457 3.405
73 HD2 TYR 13 2HD TYR 13 3.878 -3.640 6.295
74 HE1 TYR 13 1HE TYR 13 3.288 1.167 5.190
75 HE2 TYR 13 2HE TYR 13 3.498 -1.989 8.108
76 HH TYR 13 HH TYR 13 2.622 1.395 7.374
77 H CYS 14 H CYS 14 4.995 -4.140 0.592
78 HA CYS 14 HA CYS 14 4.021 -6.951 0.467
79 2HB CYS 14 2HB CYS 14 2.356 -5.934 -1.319
80 H LEU 15 H LEU 15 4.872 -8.002 -1.270
81 HA LEU 15 HA LEU 15 6.853 -6.730 -2.889
82 2HB LEU 15 2HB LEU 15 5.659 -9.282 -3.872
83 HG LEU 15 HG LEU 15 7.885 -10.136 -3.803
84 1HD1 LEU 15 1HD1 LEU 15 8.164 -7.284 -4.826
85 2HD1 LEU 15 2HD1 LEU 15 9.095 -8.706 -5.314
86 3HD1 LEU 15 3HD1 LEU 15 7.369 -8.613 -5.709
87 1HD2 LEU 15 1HD2 LEU 15 9.813 -8.991 -2.890
88 2HD2 LEU 15 2HD2 LEU 15 8.834 -7.607 -2.391
89 3HD2 LEU 15 3HD2 LEU 15 8.586 -9.189 -1.627
90 H THR 16 H THR 16 3.376 -7.079 -3.274
91 HA THR 16 HA THR 16 3.571 -5.447 -5.724
92 HB THR 16 HB THR 16 1.930 -7.992 -5.817
93 HG1 THR 16 1HG THR 16 4.623 -7.481 -6.427
94 1HG2 THR 16 1HG2 THR 16 1.921 -7.488 -8.223
95 2HG2 THR 16 2HG2 THR 16 1.306 -6.079 -7.331
96 3HG2 THR 16 3HG2 THR 16 2.962 -6.073 -7.963
97 HA PRO 17 HA PRO 17 0.287 -4.111 -2.986
98 2HB PRO 17 2HB PRO 17 1.090 -2.400 -2.002
99 2HG PRO 17 2HG PRO 17 3.405 -1.953 -2.503
100 2HD PRO 17 2HD PRO 17 3.028 -4.063 -2.569
101 H ASP 18 H ASP 18 -1.591 -2.696 -3.513
102 HA ASP 18 HA ASP 18 -2.292 -2.536 -6.392
103 2HB ASP 18 2HB ASP 18 -4.161 -2.200 -4.015
104 H ARG 19 H ARG 19 -2.866 -0.715 -3.247
105 HA ARG 19 HA ARG 19 -1.805 1.733 -4.465
106 2HB ARG 19 2HB ARG 19 -4.003 2.028 -5.290
107 2HG ARG 19 2HG ARG 19 -5.054 0.858 -2.719
108 2HD ARG 19 2HD ARG 19 -6.510 1.203 -5.396
109 HE ARG 19 HE ARG 19 -7.682 1.070 -2.647
110 1HH1 ARG 19 2HH2 ARG 19 -7.240 -0.863 -5.520
111 2HH1 ARG 19 1HH2 ARG 19 -8.888 -1.372 -5.669
112 1HH2 ARG 19 1HH1 ARG 19 -9.854 0.193 -2.597
113 2HH2 ARG 19 2HH1 ARG 19 -10.348 -0.889 -3.862
114 H CYS 20 H CYS 20 -1.431 3.294 -2.944
115 HA CYS 20 HA CYS 20 -2.015 2.745 -0.060
116 2HB CYS 20 2HB CYS 20 -0.462 5.007 -1.329
117 H SER 21 H SER 21 -4.189 3.246 0.270
118 HA SER 21 HA SER 21 -5.367 5.691 -0.821
119 2HB SER 21 2HB SER 21 -7.146 4.063 -1.901
120 HG SER 21 HG SER 21 -4.658 4.921 -2.890
121 H TYR 22 H TYR 22 -7.260 6.204 0.333
122 HA TYR 22 HA TYR 22 -8.550 6.247 2.219
123 2HB TYR 22 2HB TYR 22 -8.775 3.328 1.815
124 HD1 TYR 22 1HD TYR 22 -9.793 2.477 3.793
125 HD2 TYR 22 2HD TYR 22 -11.187 6.189 2.092
126 HE1 TYR 22 1HE TYR 22 -11.678 2.499 5.387
127 HE2 TYR 22 2HE TYR 22 -13.078 6.205 3.699
128 HH TYR 22 HH TYR 22 -13.555 3.621 6.119
129 H GLY 23 H GLY 23 -5.830 6.294 2.740
130 1HA GLY 23 2HA GLY 23 -4.254 6.045 4.350
131 2HA GLY 23 3HA GLY 23 -5.590 5.732 5.470
132 H THR 24 H THR 24 -5.351 3.477 2.863
133 HA THR 24 HA THR 24 -4.269 1.386 4.658
134 HB THR 24 HB THR 24 -6.418 1.212 2.501
135 HG1 THR 24 1HG THR 24 -7.102 2.376 4.352
136 1HG2 THR 24 1HG2 THR 24 -6.889 -0.994 3.460
137 2HG2 THR 24 2HG2 THR 24 -5.224 -0.936 2.859
138 3HG2 THR 24 3HG2 THR 24 -5.547 -0.811 4.605
139 H CYS 25 H CYS 25 -2.634 0.100 3.737
140 HA CYS 25 HA CYS 25 -1.847 0.769 0.938
141 2HB CYS 25 2HB CYS 25 -0.234 0.768 3.091
142 H TYR 26 H TYR 26 -3.377 -0.195 -0.133
143 HA TYR 26 HA TYR 26 -4.450 -2.866 0.298
144 2HB TYR 26 2HB TYR 26 -5.231 -2.382 -2.125
145 HD1 TYR 26 1HD TYR 26 -7.288 -2.961 -1.151
146 HD2 TYR 26 2HD TYR 26 -5.488 0.871 -0.344
147 HE1 TYR 26 1HE TYR 26 -9.527 -1.967 -0.879
148 HE2 TYR 26 2HE TYR 26 -7.748 1.863 -0.112
149 HH TYR 26 HH TYR 26 -10.087 1.457 -0.409
150 H CYS 27 H CYS 27 -3.729 -4.781 -0.707
151 HA CYS 27 HA CYS 27 -1.618 -4.596 -2.713
152 2HB CYS 27 2HB CYS 27 -0.318 -6.306 -1.745
153 H LYS 28 H LYS 28 -1.443 -6.230 -4.239
154 HA LYS 28 HA LYS 28 -3.934 -6.855 -5.335
155 2HB LYS 28 2HB LYS 28 -2.680 -8.403 -6.831
156 2HG LYS 28 2HG LYS 28 -0.995 -6.888 -7.737
157 2HD LYS 28 2HD LYS 28 -3.393 -5.236 -6.852
158 2HE LYS 28 2HE LYS 28 -1.700 -5.170 -9.401
159 1HZ LYS 28 1HZ LYS 28 -2.856 -3.042 -9.663
160 2HZ LYS 28 2HZ LYS 28 -3.933 -4.296 -9.667
161 3HZ LYS 28 3HZ LYS 28 -3.770 -3.362 -8.341
162 H THR 29 H THR 29 -1.876 -8.882 -3.276
163 HA THR 29 HA THR 29 -4.215 -10.684 -2.813
164 HB THR 29 HB THR 29 -2.587 -11.809 -4.206
165 HG1 THR 29 1HG THR 29 -2.339 -13.614 -2.812
166 1HG2 THR 29 1HG2 THR 29 -0.571 -11.511 -1.936
167 2HG2 THR 29 2HG2 THR 29 -0.377 -12.452 -3.420
168 3HG2 THR 29 3HG2 THR 29 -0.486 -10.690 -3.508
169 H THR 30 H THR 30 -4.079 -8.383 -1.445
170 HA THR 30 HA THR 30 -2.679 -8.467 0.995
171 HB THR 30 HB THR 30 -3.873 -6.525 0.217
172 HG1 THR 30 1HG THR 30 -3.516 -6.809 2.472
173 1HG2 THR 30 1HG2 THR 30 -6.279 -6.249 0.374
174 2HG2 THR 30 2HG2 THR 30 -5.939 -7.588 -0.732
175 3HG2 THR 30 3HG2 THR 30 -6.490 -7.914 0.930
176 1HN NH2 31 H NH2 31 -5.694 -10.180 0.091
177 2HN NH2 31 2HN NH2 31 -5.759 -11.139 1.561
Start of MODEL 20
1 HA PCA 1 HA PCA 1 1.595 7.973 6.708
2 1HB PCA 1 3HB PCA 1 2.930 9.757 7.409
3 2HB PCA 1 2HB PCA 1 2.372 9.236 9.021
4 1HG PCA 1 2HG PCA 1 0.710 10.971 9.056
5 2HG PCA 1 3HG PCA 1 1.948 11.783 8.053
6 H THR 2 H THR 2 -0.709 7.008 6.697
7 HA THR 2 HA THR 2 -1.755 6.564 9.482
8 HB THR 2 HB THR 2 -2.975 5.924 6.814
9 HG1 THR 2 1HG THR 2 -4.266 7.745 7.284
10 1HG2 THR 2 1HG2 THR 2 -4.174 6.084 9.638
11 2HG2 THR 2 2HG2 THR 2 -5.077 5.708 8.159
12 3HG2 THR 2 3HG2 THR 2 -3.887 4.559 8.781
13 H GLN 3 H GLN 3 -2.401 4.010 7.401
14 HA GLN 3 HA GLN 3 -0.337 2.222 8.480
15 2HB GLN 3 2HB GLN 3 -0.859 0.820 6.504
16 2HG GLN 3 2HG GLN 3 -3.481 1.714 7.843
17 1HE2 GLN 3 1HE2 GLN 3 -4.535 -0.163 8.612
18 2HE2 GLN 3 2HE2 GLN 3 -4.652 -1.425 7.439
19 H CYS 4 H CYS 4 -0.698 4.491 5.810
20 HA CYS 4 HA CYS 4 2.160 4.438 5.141
21 2HB CYS 4 2HB CYS 4 1.262 2.806 3.603
22 H GLN 5 H GLN 5 2.679 6.197 3.778
23 HA GLN 5 HA GLN 5 0.895 8.591 3.841
24 2HB GLN 5 2HB GLN 5 3.812 8.518 3.053
25 2HG GLN 5 2HG GLN 5 2.186 10.607 4.573
26 1HE2 GLN 5 1HE2 GLN 5 4.856 10.031 5.233
27 2HE2 GLN 5 2HE2 GLN 5 5.867 11.309 4.583
28 H SER 6 H SER 6 2.818 6.296 1.816
29 HA SER 6 HA SER 6 1.109 6.892 -0.474
30 2HB SER 6 2HB SER 6 2.397 8.598 -1.155
31 HG SER 6 HG SER 6 4.028 8.172 0.652
32 H VAL 7 H VAL 7 1.983 5.715 -2.443
33 HA VAL 7 HA VAL 7 1.700 3.046 -1.877
34 HB VAL 7 HB VAL 7 1.344 4.294 -4.031
35 1HG1 VAL 7 1HG1 VAL 7 4.264 3.696 -4.620
36 2HG1 VAL 7 2HG1 VAL 7 3.085 4.487 -5.672
37 3HG1 VAL 7 3HG1 VAL 7 3.651 5.322 -4.216
38 1HG2 VAL 7 1HG2 VAL 7 1.123 1.911 -3.811
39 2HG2 VAL 7 2HG2 VAL 7 1.744 2.350 -5.419
40 3HG2 VAL 7 3HG2 VAL 7 2.852 1.685 -4.187
41 H ARG 8 H ARG 8 4.770 4.777 -2.080
42 HA ARG 8 HA ARG 8 6.634 2.681 -2.095
43 2HB ARG 8 2HB ARG 8 7.974 4.296 -0.563
44 2HG ARG 8 2HG ARG 8 8.386 4.100 -2.966
45 2HD ARG 8 2HD ARG 8 6.281 6.295 -3.179
46 HE ARG 8 HE ARG 8 7.913 6.961 -4.693
47 1HH1 ARG 8 2HH2 ARG 8 6.982 3.570 -5.409
48 2HH1 ARG 8 1HH2 ARG 8 7.414 3.696 -7.079
49 1HH2 ARG 8 1HH1 ARG 8 8.599 7.033 -6.872
50 2HH2 ARG 8 2HH1 ARG 8 8.440 5.646 -7.896
51 H ASP 9 H ASP 9 4.772 3.976 0.743
52 HA ASP 9 HA ASP 9 6.060 2.501 2.778
53 2HB ASP 9 2HB ASP 9 3.671 2.900 3.795
54 H CYS 10 H CYS 10 3.177 1.802 0.678
55 HA CYS 10 HA CYS 10 3.009 -0.830 1.820
56 2HB CYS 10 2HB CYS 10 2.089 -0.746 -0.876
57 H GLN 11 H GLN 11 4.848 0.419 -1.004
58 HA GLN 11 HA GLN 11 5.590 -2.153 -1.982
59 2HB GLN 11 2HB GLN 11 7.619 -1.068 -2.885
60 2HG GLN 11 2HG GLN 11 5.065 0.546 -3.282
61 1HE2 GLN 11 1HE2 GLN 11 7.768 -0.718 -5.284
62 2HE2 GLN 11 2HE2 GLN 11 8.179 0.821 -6.006
63 H GLN 12 H GLN 12 6.871 -0.253 0.743
64 HA GLN 12 HA GLN 12 9.049 -2.026 1.362
65 2HB GLN 12 2HB GLN 12 8.939 -0.958 3.614
66 2HG GLN 12 2HG GLN 12 9.136 0.538 1.033
67 1HE2 GLN 12 1HE2 GLN 12 8.384 1.378 4.454
68 2HE2 GLN 12 2HE2 GLN 12 8.111 3.072 4.083
69 H TYR 13 H TYR 13 5.575 -2.075 2.253
70 HA TYR 13 HA TYR 13 5.850 -4.356 4.064
71 2HB TYR 13 2HB TYR 13 3.345 -4.517 3.677
72 HD1 TYR 13 1HD TYR 13 5.243 -1.287 4.394
73 HD2 TYR 13 2HD TYR 13 2.100 -4.013 5.531
74 HE1 TYR 13 1HE TYR 13 4.355 0.389 5.964
75 HE2 TYR 13 2HE TYR 13 1.346 -2.405 7.245
76 HH TYR 13 HH TYR 13 2.352 0.948 7.262
77 H CYS 14 H CYS 14 4.391 -4.057 0.850
78 HA CYS 14 HA CYS 14 4.067 -6.983 0.521
79 2HB CYS 14 2HB CYS 14 2.229 -5.963 -1.150
80 H LEU 15 H LEU 15 4.769 -7.936 -1.373
81 HA LEU 15 HA LEU 15 6.699 -6.682 -3.039
82 2HB LEU 15 2HB LEU 15 6.131 -8.625 -4.613
83 HG LEU 15 HG LEU 15 6.958 -10.429 -3.257
84 1HD1 LEU 15 1HD1 LEU 15 9.133 -9.558 -2.713
85 2HD1 LEU 15 2HD1 LEU 15 8.539 -8.726 -4.161
86 3HD1 LEU 15 3HD1 LEU 15 8.519 -7.903 -2.585
87 1HD2 LEU 15 1HD2 LEU 15 7.458 -10.296 -0.917
88 2HD2 LEU 15 2HD2 LEU 15 6.903 -8.621 -0.811
89 3HD2 LEU 15 3HD2 LEU 15 5.737 -9.934 -1.132
90 H THR 16 H THR 16 3.201 -7.234 -3.539
91 HA THR 16 HA THR 16 3.263 -5.251 -5.789
92 HB THR 16 HB THR 16 1.559 -7.763 -5.668
93 HG1 THR 16 1HG THR 16 3.098 -8.551 -7.174
94 1HG2 THR 16 1HG2 THR 16 0.751 -5.890 -7.122
95 2HG2 THR 16 2HG2 THR 16 2.332 -5.852 -7.926
96 3HG2 THR 16 3HG2 THR 16 1.286 -7.281 -8.082
97 HA PRO 17 HA PRO 17 0.237 -3.979 -2.776
98 2HB PRO 17 2HB PRO 17 0.931 -2.235 -1.688
99 2HG PRO 17 2HG PRO 17 3.284 -2.050 -2.021
100 2HD PRO 17 2HD PRO 17 2.810 -4.085 -2.415
101 H ASP 18 H ASP 18 -1.782 -2.709 -3.085
102 HA ASP 18 HA ASP 18 -2.710 -2.464 -5.883
103 2HB ASP 18 2HB ASP 18 -4.166 -2.055 -3.241
104 H ARG 19 H ARG 19 -2.854 -0.553 -2.790
105 HA ARG 19 HA ARG 19 -1.644 1.792 -4.033
106 2HB ARG 19 2HB ARG 19 -3.691 2.632 -4.732
107 2HG ARG 19 2HG ARG 19 -5.103 0.862 -2.702
108 2HD ARG 19 2HD ARG 19 -6.136 2.159 -5.292
109 HE ARG 19 HE ARG 19 -6.834 -0.108 -4.633
110 1HH1 ARG 19 2HH2 ARG 19 -8.787 2.400 -3.119
111 2HH1 ARG 19 1HH2 ARG 19 -9.498 1.283 -1.973
112 1HH2 ARG 19 1HH1 ARG 19 -7.704 -1.460 -3.463
113 2HH2 ARG 19 2HH1 ARG 19 -9.033 -1.125 -2.341
114 H CYS 20 H CYS 20 -1.219 3.370 -2.474
115 HA CYS 20 HA CYS 20 -1.942 2.836 0.373
116 2HB CYS 20 2HB CYS 20 -0.455 5.167 -0.855
117 H SER 21 H SER 21 -4.163 3.273 0.602
118 HA SER 21 HA SER 21 -5.262 5.727 -0.538
119 2HB SER 21 2HB SER 21 -7.116 4.152 -1.559
120 HG SER 21 HG SER 21 -4.631 4.980 -2.575
121 H TYR 22 H TYR 22 -7.094 6.391 0.562
122 HA TYR 22 HA TYR 22 -8.153 6.738 2.544
123 2HB TYR 22 2HB TYR 22 -9.676 4.931 3.266
124 HD1 TYR 22 1HD TYR 22 -9.568 3.626 -0.099
125 HD2 TYR 22 2HD TYR 22 -10.818 6.995 2.278
126 HE1 TYR 22 1HE TYR 22 -11.100 4.327 -1.907
127 HE2 TYR 22 2HE TYR 22 -12.361 7.691 0.465
128 HH TYR 22 HH TYR 22 -12.682 5.869 -2.590
129 H GLY 23 H GLY 23 -5.512 6.527 2.957
130 1HA GLY 23 2HA GLY 23 -3.904 6.222 4.532
131 2HA GLY 23 3HA GLY 23 -5.231 6.065 5.695
132 H THR 24 H THR 24 -5.205 3.688 3.179
133 HA THR 24 HA THR 24 -4.230 1.605 5.044
134 HB THR 24 HB THR 24 -6.363 1.453 2.870
135 HG1 THR 24 1HG THR 24 -7.010 2.733 4.663
136 1HG2 THR 24 1HG2 THR 24 -5.265 -0.725 3.347
137 2HG2 THR 24 2HG2 THR 24 -5.643 -0.515 5.073
138 3HG2 THR 24 3HG2 THR 24 -6.952 -0.681 3.890
139 H CYS 25 H CYS 25 -2.560 0.335 4.215
140 HA CYS 25 HA CYS 25 -1.714 0.859 1.406
141 2HB CYS 25 2HB CYS 25 -0.156 0.649 3.663
142 H TYR 26 H TYR 26 -3.318 -0.018 0.340
143 HA TYR 26 HA TYR 26 -4.499 -2.645 0.837
144 2HB TYR 26 2HB TYR 26 -5.403 -2.151 -1.510
145 HD1 TYR 26 1HD TYR 26 -7.276 -2.685 -0.018
146 HD2 TYR 26 2HD TYR 26 -5.500 1.230 -0.178
147 HE1 TYR 26 1HE TYR 26 -9.508 -1.675 0.266
148 HE2 TYR 26 2HE TYR 26 -7.755 2.241 0.003
149 HH TYR 26 HH TYR 26 -10.723 0.390 0.066
150 H CYS 27 H CYS 27 -3.686 -4.600 -0.020
151 HA CYS 27 HA CYS 27 -1.489 -4.360 -1.948
152 2HB CYS 27 2HB CYS 27 -0.494 -6.351 -1.218
153 H LYS 28 H LYS 28 -1.417 -5.627 -3.828
154 HA LYS 28 HA LYS 28 -4.107 -5.883 -4.778
155 2HB LYS 28 2HB LYS 28 -2.066 -6.964 -6.612
156 2HG LYS 28 2HG LYS 28 -2.749 -5.021 -7.981
157 2HD LYS 28 2HD LYS 28 -5.175 -6.325 -6.651
158 2HE LYS 28 2HE LYS 28 -4.922 -5.096 -9.432
159 1HZ LYS 28 1HZ LYS 28 -7.262 -5.754 -7.766
160 2HZ LYS 28 2HZ LYS 28 -7.304 -5.110 -9.274
161 3HZ LYS 28 3HZ LYS 28 -6.751 -6.647 -9.056
162 H THR 29 H THR 29 -1.522 -8.147 -3.977
163 HA THR 29 HA THR 29 -3.529 -10.325 -3.750
164 HB THR 29 HB THR 29 -1.838 -11.936 -4.530
165 HG1 THR 29 1HG THR 29 0.043 -11.057 -5.563
166 1HG2 THR 29 1HG2 THR 29 -3.452 -10.951 -6.159
167 2HG2 THR 29 2HG2 THR 29 -2.229 -9.742 -6.606
168 3HG2 THR 29 3HG2 THR 29 -1.925 -11.464 -6.897
169 H THR 30 H THR 30 -0.874 -11.800 -2.756
170 HA THR 30 HA THR 30 -1.442 -11.359 -0.029
171 HB THR 30 HB THR 30 0.956 -12.856 -1.145
172 HG1 THR 30 1HG THR 30 -0.559 -14.547 -1.547
173 1HG2 THR 30 1HG2 THR 30 -1.060 -13.485 1.071
174 2HG2 THR 30 2HG2 THR 30 0.361 -14.456 0.637
175 3HG2 THR 30 3HG2 THR 30 0.576 -12.840 1.330
176 1HN NH2 31 H NH2 31 -0.931 -8.899 -0.271
177 2HN NH2 31 2HN NH2 31 0.697 -8.427 0.219
Start of MODEL 21
1 HA PCA 1 HA PCA 1 -1.344 8.890 11.467
2 1HB PCA 1 3HB PCA 1 -2.214 11.022 11.947
3 2HB PCA 1 2HB PCA 1 -3.614 10.391 11.042
4 1HG PCA 1 2HG PCA 1 -2.893 11.532 9.047
5 2HG PCA 1 3HG PCA 1 -2.283 12.676 10.282
6 H THR 2 H THR 2 -0.565 7.470 9.266
7 HA THR 2 HA THR 2 -2.919 6.266 8.198
8 HB THR 2 HB THR 2 -1.945 6.452 5.874
9 HG1 THR 2 1HG THR 2 -0.271 7.717 5.489
10 1HG2 THR 2 1HG2 THR 2 -3.824 8.005 6.617
11 2HG2 THR 2 2HG2 THR 2 -2.585 9.240 6.915
12 3HG2 THR 2 3HG2 THR 2 -2.817 8.609 5.281
13 H GLN 3 H GLN 3 -2.087 4.323 7.158
14 HA GLN 3 HA GLN 3 0.148 2.980 8.458
15 2HB GLN 3 2HB GLN 3 -0.153 1.298 6.625
16 2HG GLN 3 2HG GLN 3 -2.853 2.055 7.900
17 1HE2 GLN 3 1HE2 GLN 3 -3.648 0.114 8.900
18 2HE2 GLN 3 2HE2 GLN 3 -3.760 -1.192 7.776
19 H CYS 4 H CYS 4 -0.350 4.667 5.367
20 HA CYS 4 HA CYS 4 2.559 4.572 4.760
21 2HB CYS 4 2HB CYS 4 1.610 2.900 3.445
22 H GLN 5 H GLN 5 3.390 6.314 3.879
23 HA GLN 5 HA GLN 5 1.964 8.860 3.916
24 2HB GLN 5 2HB GLN 5 4.121 9.683 2.951
25 2HG GLN 5 2HG GLN 5 4.102 7.922 5.443
26 1HE2 GLN 5 1HE2 GLN 5 6.110 6.917 4.586
27 2HE2 GLN 5 2HE2 GLN 5 7.627 7.759 4.923
28 H SER 6 H SER 6 2.820 6.384 1.516
29 HA SER 6 HA SER 6 1.106 7.256 -0.564
30 2HB SER 6 2HB SER 6 3.128 7.762 -2.174
31 HG SER 6 HG SER 6 2.122 9.565 -0.255
32 H VAL 7 H VAL 7 1.711 5.844 -2.603
33 HA VAL 7 HA VAL 7 1.701 3.240 -1.975
34 HB VAL 7 HB VAL 7 1.140 4.398 -4.110
35 1HG1 VAL 7 1HG1 VAL 7 3.325 5.605 -4.457
36 2HG1 VAL 7 2HG1 VAL 7 4.066 4.032 -4.851
37 3HG1 VAL 7 3HG1 VAL 7 2.768 4.678 -5.860
38 1HG2 VAL 7 1HG2 VAL 7 1.096 2.001 -3.863
39 2HG2 VAL 7 2HG2 VAL 7 1.583 2.471 -5.505
40 3HG2 VAL 7 3HG2 VAL 7 2.806 1.885 -4.349
41 H ARG 8 H ARG 8 4.677 5.119 -2.482
42 HA ARG 8 HA ARG 8 6.645 3.160 -2.535
43 2HB ARG 8 2HB ARG 8 7.898 4.898 -0.980
44 2HG ARG 8 2HG ARG 8 8.420 4.607 -3.330
45 2HD ARG 8 2HD ARG 8 6.157 6.590 -3.817
46 HE ARG 8 HE ARG 8 8.027 7.099 -5.240
47 1HH1 ARG 8 2HH2 ARG 8 6.593 3.905 -6.020
48 2HH1 ARG 8 1HH2 ARG 8 6.855 4.088 -7.720
49 1HH2 ARG 8 1HH1 ARG 8 8.548 7.194 -7.456
50 2HH2 ARG 8 2HH1 ARG 8 8.114 5.901 -8.522
51 H ASP 9 H ASP 9 4.850 4.321 0.383
52 HA ASP 9 HA ASP 9 6.485 2.829 2.195
53 2HB ASP 9 2HB ASP 9 4.039 3.180 3.443
54 H CYS 10 H CYS 10 3.482 2.089 0.405
55 HA CYS 10 HA CYS 10 3.410 -0.537 1.669
56 2HB CYS 10 2HB CYS 10 2.329 -0.494 -0.945
57 H GLN 11 H GLN 11 5.059 0.829 -1.198
58 HA GLN 11 HA GLN 11 5.748 -1.702 -2.336
59 2HB GLN 11 2HB GLN 11 7.649 -0.541 -3.403
60 2HG GLN 11 2HG GLN 11 4.995 0.942 -3.568
61 1HE2 GLN 11 1HE2 GLN 11 7.449 -0.346 -5.853
62 2HE2 GLN 11 2HE2 GLN 11 7.729 1.171 -6.674
63 H GLN 12 H GLN 12 7.328 0.280 0.185
64 HA GLN 12 HA GLN 12 9.566 -1.417 0.711
65 2HB GLN 12 2HB GLN 12 9.415 -0.449 3.031
66 2HG GLN 12 2HG GLN 12 9.533 1.177 0.537
67 1HE2 GLN 12 1HE2 GLN 12 8.706 1.799 3.991
68 2HE2 GLN 12 2HE2 GLN 12 8.098 3.412 3.658
69 H TYR 13 H TYR 13 6.192 -1.530 1.902
70 HA TYR 13 HA TYR 13 6.615 -3.723 3.676
71 2HB TYR 13 2HB TYR 13 4.005 -2.798 2.424
72 HD1 TYR 13 1HD TYR 13 2.111 -3.893 3.218
73 HD2 TYR 13 2HD TYR 13 5.577 -3.645 5.770
74 HE1 TYR 13 1HE TYR 13 0.940 -5.224 4.927
75 HE2 TYR 13 2HE TYR 13 4.400 -4.992 7.484
76 HH TYR 13 HH TYR 13 1.068 -6.191 7.016
77 H CYS 14 H CYS 14 5.498 -3.607 0.368
78 HA CYS 14 HA CYS 14 4.866 -6.533 0.257
79 2HB CYS 14 2HB CYS 14 2.850 -5.585 -1.235
80 H LEU 15 H LEU 15 5.442 -7.536 -1.593
81 HA LEU 15 HA LEU 15 7.164 -6.277 -3.474
82 2HB LEU 15 2HB LEU 15 6.759 -8.424 -4.792
83 HG LEU 15 HG LEU 15 7.806 -9.977 -3.306
84 1HD1 LEU 15 1HD1 LEU 15 9.096 -7.253 -2.894
85 2HD1 LEU 15 2HD1 LEU 15 9.881 -8.837 -2.898
86 3HD1 LEU 15 3HD1 LEU 15 9.176 -8.202 -4.395
87 1HD2 LEU 15 1HD2 LEU 15 7.613 -7.982 -1.020
88 2HD2 LEU 15 2HD2 LEU 15 6.575 -9.421 -1.198
89 3HD2 LEU 15 3HD2 LEU 15 8.328 -9.597 -1.005
90 H THR 16 H THR 16 3.646 -6.553 -3.434
91 HA THR 16 HA THR 16 3.587 -4.814 -5.808
92 HB THR 16 HB THR 16 1.993 -7.399 -5.857
93 HG1 THR 16 1HG THR 16 4.566 -6.789 -6.747
94 1HG2 THR 16 1HG2 THR 16 1.051 -5.490 -7.156
95 2HG2 THR 16 2HG2 THR 16 2.619 -5.264 -7.953
96 3HG2 THR 16 3HG2 THR 16 1.689 -6.747 -8.242
97 HA PRO 17 HA PRO 17 0.576 -3.795 -2.702
98 2HB PRO 17 2HB PRO 17 1.275 -2.024 -1.702
99 2HG PRO 17 2HG PRO 17 3.533 -1.515 -2.297
100 2HD PRO 17 2HD PRO 17 3.230 -3.630 -2.493
101 H ASP 18 H ASP 18 -1.571 -2.813 -2.984
102 HA ASP 18 HA ASP 18 -2.544 -2.685 -5.771
103 2HB ASP 18 2HB ASP 18 -4.160 -2.269 -3.240
104 H ARG 19 H ARG 19 -2.849 -0.727 -2.680
105 HA ARG 19 HA ARG 19 -1.975 1.696 -4.077
106 2HB ARG 19 2HB ARG 19 -4.230 1.940 -4.703
107 2HG ARG 19 2HG ARG 19 -5.067 0.745 -2.060
108 2HD ARG 19 2HD ARG 19 -6.666 1.016 -4.666
109 HE ARG 19 HE ARG 19 -7.742 0.844 -1.888
110 1HH1 ARG 19 2HH2 ARG 19 -7.161 -1.124 -4.746
111 2HH1 ARG 19 1HH2 ARG 19 -8.719 -1.859 -4.767
112 1HH2 ARG 19 1HH1 ARG 19 -9.764 -0.272 -1.727
113 2HH2 ARG 19 2HH1 ARG 19 -10.176 -1.467 -2.925
114 H CYS 20 H CYS 20 -1.637 3.394 -2.634
115 HA CYS 20 HA CYS 20 -1.914 2.867 0.297
116 2HB CYS 20 2HB CYS 20 -0.525 5.171 -1.101
117 H SER 21 H SER 21 -4.098 3.283 0.749
118 HA SER 21 HA SER 21 -5.439 5.666 -0.294
119 2HB SER 21 2HB SER 21 -7.171 3.984 -1.316
120 HG SER 21 HG SER 21 -4.755 4.905 -2.379
121 H TYR 22 H TYR 22 -7.434 6.003 0.833
122 HA TYR 22 HA TYR 22 -8.544 6.117 2.820
123 2HB TYR 22 2HB TYR 22 -9.486 4.007 3.721
124 HD1 TYR 22 1HD TYR 22 -11.629 4.785 3.143
125 HD2 TYR 22 2HD TYR 22 -8.941 3.449 0.050
126 HE1 TYR 22 1HE TYR 22 -13.498 4.758 1.517
127 HE2 TYR 22 2HE TYR 22 -10.806 3.426 -1.568
128 HH TYR 22 HH TYR 22 -13.063 3.814 -1.901
129 H GLY 23 H GLY 23 -5.785 6.421 3.007
130 1HA GLY 23 2HA GLY 23 -4.028 6.450 4.442
131 2HA GLY 23 3HA GLY 23 -5.216 6.215 5.737
132 H THR 24 H THR 24 -5.006 3.695 3.349
133 HA THR 24 HA THR 24 -3.684 1.866 5.272
134 HB THR 24 HB THR 24 -6.016 1.396 3.356
135 HG1 THR 24 1HG THR 24 -6.591 2.648 5.171
136 1HG2 THR 24 1HG2 THR 24 -4.874 -0.441 5.492
137 2HG2 THR 24 2HG2 THR 24 -6.289 -0.746 4.474
138 3HG2 THR 24 3HG2 THR 24 -4.680 -0.670 3.739
139 H CYS 25 H CYS 25 -2.128 0.486 4.341
140 HA CYS 25 HA CYS 25 -1.497 0.954 1.464
141 2HB CYS 25 2HB CYS 25 0.208 0.906 3.638
142 H TYR 26 H TYR 26 -3.006 -0.104 0.454
143 HA TYR 26 HA TYR 26 -4.009 -2.779 1.127
144 2HB TYR 26 2HB TYR 26 -4.939 -2.439 -1.264
145 HD1 TYR 26 1HD TYR 26 -6.916 -3.110 -0.213
146 HD2 TYR 26 2HD TYR 26 -5.318 0.841 0.433
147 HE1 TYR 26 1HE TYR 26 -9.202 -2.229 0.039
148 HE2 TYR 26 2HE TYR 26 -7.616 1.709 0.702
149 HH TYR 26 HH TYR 26 -9.957 1.166 0.390
150 H CYS 27 H CYS 27 -2.980 -4.680 0.413
151 HA CYS 27 HA CYS 27 -1.016 -4.386 -1.752
152 2HB CYS 27 2HB CYS 27 0.190 -6.259 -1.043
153 H LYS 28 H LYS 28 -1.017 -5.727 -3.589
154 HA LYS 28 HA LYS 28 -3.721 -6.321 -4.312
155 2HB LYS 28 2HB LYS 28 -1.147 -6.723 -5.880
156 2HG LYS 28 2HG LYS 28 -3.707 -5.462 -6.807
157 2HD LYS 28 2HD LYS 28 -1.495 -5.779 -8.212
158 2HE LYS 28 2HE LYS 28 -1.504 -7.820 -9.596
159 1HZ LYS 28 1HZ LYS 28 -1.691 -8.663 -6.769
160 2HZ LYS 28 2HZ LYS 28 -0.973 -9.501 -7.982
161 3HZ LYS 28 3HZ LYS 28 -0.337 -8.068 -7.484
162 H THR 29 H THR 29 -3.415 -8.086 -2.398
163 HA THR 29 HA THR 29 -2.900 -10.756 -3.640
164 HB THR 29 HB THR 29 -1.980 -9.925 -0.857
165 HG1 THR 29 1HG THR 29 0.083 -9.757 -1.817
166 1HG2 THR 29 1HG2 THR 29 -2.223 -12.382 -1.285
167 2HG2 THR 29 2HG2 THR 29 -1.163 -12.226 -2.701
168 3HG2 THR 29 3HG2 THR 29 -0.529 -11.917 -1.072
169 H THR 30 H THR 30 -5.344 -10.065 -3.734
170 HA THR 30 HA THR 30 -6.739 -11.644 -1.777
171 HB THR 30 HB THR 30 -6.541 -9.745 -0.340
172 HG1 THR 30 1HG THR 30 -8.567 -10.741 -0.385
173 1HG2 THR 30 1HG2 THR 30 -7.301 -7.523 -0.819
174 2HG2 THR 30 2HG2 THR 30 -6.087 -7.943 -2.031
175 3HG2 THR 30 3HG2 THR 30 -7.822 -7.958 -2.445
176 1HN NH2 31 H NH2 31 -7.237 -8.988 -4.212
177 2HN NH2 31 2HN NH2 31 -8.431 -9.902 -5.115
Start of MODEL 22
1 HA PCA 1 HA PCA 1 1.119 8.766 5.878
2 1HB PCA 1 3HB PCA 1 2.879 10.075 6.650
3 2HB PCA 1 2HB PCA 1 2.243 9.586 8.247
4 1HG PCA 1 2HG PCA 1 1.131 11.689 8.503
5 2HG PCA 1 3HG PCA 1 2.466 12.230 7.443
6 H THR 2 H THR 2 -0.898 7.706 6.098
7 HA THR 2 HA THR 2 -2.092 7.650 8.856
8 HB THR 2 HB THR 2 -3.228 6.509 6.303
9 HG1 THR 2 1HG THR 2 -2.997 8.859 6.391
10 1HG2 THR 2 1HG2 THR 2 -4.474 7.228 9.016
11 2HG2 THR 2 2HG2 THR 2 -5.347 6.554 7.636
12 3HG2 THR 2 3HG2 THR 2 -4.157 5.565 8.492
13 H GLN 3 H GLN 3 -2.678 4.779 7.302
14 HA GLN 3 HA GLN 3 -0.569 3.337 8.719
15 2HB GLN 3 2HB GLN 3 -1.399 1.380 7.494
16 2HG GLN 3 2HG GLN 3 -3.721 3.163 8.478
17 1HE2 GLN 3 1HE2 GLN 3 -4.903 1.779 10.021
18 2HE2 GLN 3 2HE2 GLN 3 -5.684 0.521 9.133
19 H CYS 4 H CYS 4 -1.056 4.764 5.542
20 HA CYS 4 HA CYS 4 1.836 4.637 4.979
21 2HB CYS 4 2HB CYS 4 1.015 2.927 3.530
22 H GLN 5 H GLN 5 2.364 6.304 3.449
23 HA GLN 5 HA GLN 5 0.584 8.714 3.431
24 2HB GLN 5 2HB GLN 5 3.478 8.470 2.556
25 2HG GLN 5 2HG GLN 5 2.173 10.900 3.786
26 1HE2 GLN 5 1HE2 GLN 5 3.685 10.150 0.576
27 2HE2 GLN 5 2HE2 GLN 5 5.091 11.169 0.861
28 H SER 6 H SER 6 2.459 6.330 1.486
29 HA SER 6 HA SER 6 1.006 7.057 -0.989
30 2HB SER 6 2HB SER 6 3.048 7.823 -2.124
31 HG SER 6 HG SER 6 1.752 9.199 -0.406
32 H VAL 7 H VAL 7 1.546 5.488 -2.750
33 HA VAL 7 HA VAL 7 1.480 2.950 -1.931
34 HB VAL 7 HB VAL 7 1.002 3.946 -4.179
35 1HG1 VAL 7 1HG1 VAL 7 3.213 5.058 -4.580
36 2HG1 VAL 7 2HG1 VAL 7 3.952 3.451 -4.784
37 3HG1 VAL 7 3HG1 VAL 7 2.698 3.999 -5.904
38 1HG2 VAL 7 1HG2 VAL 7 2.600 1.376 -4.177
39 2HG2 VAL 7 2HG2 VAL 7 0.890 1.573 -3.716
40 3HG2 VAL 7 3HG2 VAL 7 1.399 1.892 -5.388
41 H ARG 8 H ARG 8 4.532 4.690 -2.500
42 HA ARG 8 HA ARG 8 6.372 2.684 -2.419
43 2HB ARG 8 2HB ARG 8 6.702 5.298 -0.903
44 2HG ARG 8 2HG ARG 8 8.472 3.569 -2.674
45 2HD ARG 8 2HD ARG 8 9.165 6.069 -1.059
46 HE ARG 8 HE ARG 8 11.247 5.182 -1.253
47 1HH1 ARG 8 2HH2 ARG 8 9.541 4.601 -4.277
48 2HH1 ARG 8 1HH2 ARG 8 10.932 4.060 -5.166
49 1HH2 ARG 8 1HH1 ARG 8 13.128 4.437 -2.377
50 2HH2 ARG 8 2HH1 ARG 8 13.025 3.947 -4.036
51 H ASP 9 H ASP 9 4.610 4.030 0.432
52 HA ASP 9 HA ASP 9 5.998 2.758 2.528
53 2HB ASP 9 2HB ASP 9 3.568 3.021 3.522
54 H CYS 10 H CYS 10 3.226 1.754 0.470
55 HA CYS 10 HA CYS 10 3.180 -0.877 1.656
56 2HB CYS 10 2HB CYS 10 2.196 -0.826 -1.008
57 H GLN 11 H GLN 11 4.909 0.505 -1.161
58 HA GLN 11 HA GLN 11 5.676 -1.997 -2.281
59 2HB GLN 11 2HB GLN 11 7.635 -0.859 -3.218
60 2HG GLN 11 2HG GLN 11 5.102 0.807 -3.453
61 1HE2 GLN 11 1HE2 GLN 11 7.312 -0.701 -5.836
62 2HE2 GLN 11 2HE2 GLN 11 7.801 0.817 -6.567
63 H GLN 12 H GLN 12 7.010 -0.231 0.507
64 HA GLN 12 HA GLN 12 9.202 -2.090 0.945
65 2HB GLN 12 2HB GLN 12 9.248 -1.144 3.219
66 2HG GLN 12 2HG GLN 12 8.882 0.951 1.020
67 1HE2 GLN 12 1HE2 GLN 12 7.854 1.881 3.294
68 2HE2 GLN 12 2HE2 GLN 12 9.022 2.865 4.152
69 H TYR 13 H TYR 13 5.833 -1.873 2.148
70 HA TYR 13 HA TYR 13 6.042 -4.051 3.958
71 2HB TYR 13 2HB TYR 13 3.562 -3.020 2.536
72 HD1 TYR 13 1HD TYR 13 1.566 -4.033 3.172
73 HD2 TYR 13 2HD TYR 13 4.849 -4.022 5.962
74 HE1 TYR 13 1HE TYR 13 0.240 -5.417 4.735
75 HE2 TYR 13 2HE TYR 13 3.529 -5.410 7.518
76 HH TYR 13 HH TYR 13 1.536 -6.513 7.881
77 H CYS 14 H CYS 14 5.075 -3.970 0.617
78 HA CYS 14 HA CYS 14 4.438 -6.889 0.455
79 2HB CYS 14 2HB CYS 14 2.512 -5.939 -1.146
80 H LEU 15 H LEU 15 5.132 -7.835 -1.421
81 HA LEU 15 HA LEU 15 6.975 -6.494 -3.090
82 2HB LEU 15 2HB LEU 15 5.464 -8.950 -4.019
83 HG LEU 15 HG LEU 15 7.575 -9.820 -4.660
84 1HD1 LEU 15 1HD1 LEU 15 7.736 -6.917 -5.542
85 2HD1 LEU 15 2HD1 LEU 15 8.350 -8.348 -6.376
86 3HD1 LEU 15 3HD1 LEU 15 6.600 -8.108 -6.228
87 1HD2 LEU 15 1HD2 LEU 15 9.730 -8.783 -4.264
88 2HD2 LEU 15 2HD2 LEU 15 8.984 -7.417 -3.421
89 3HD2 LEU 15 3HD2 LEU 15 8.903 -9.047 -2.721
90 H THR 16 H THR 16 3.514 -7.302 -3.581
91 HA THR 16 HA THR 16 3.423 -5.349 -5.860
92 HB THR 16 HB THR 16 1.775 -7.885 -5.651
93 HG1 THR 16 1HG THR 16 4.037 -8.307 -5.941
94 1HG2 THR 16 1HG2 THR 16 2.373 -5.952 -7.938
95 2HG2 THR 16 2HG2 THR 16 1.369 -7.414 -8.044
96 3HG2 THR 16 3HG2 THR 16 0.839 -6.042 -7.049
97 HA PRO 17 HA PRO 17 0.409 -4.141 -2.836
98 2HB PRO 17 2HB PRO 17 1.132 -2.369 -1.756
99 2HG PRO 17 2HG PRO 17 3.436 -1.953 -2.264
100 2HD PRO 17 2HD PRO 17 3.011 -4.073 -2.464
101 H ASP 18 H ASP 18 -1.597 -2.736 -3.120
102 HA ASP 18 HA ASP 18 -2.444 -2.627 -5.939
103 2HB ASP 18 2HB ASP 18 -4.197 -2.065 -3.517
104 H ARG 19 H ARG 19 -2.775 -0.617 -2.932
105 HA ARG 19 HA ARG 19 -1.688 1.761 -4.248
106 2HB ARG 19 2HB ARG 19 -3.794 2.417 -4.947
107 2HG ARG 19 2HG ARG 19 -5.098 0.659 -2.835
108 2HD ARG 19 2HD ARG 19 -6.141 1.970 -5.397
109 HE ARG 19 HE ARG 19 -6.690 -0.617 -4.423
110 1HH1 ARG 19 2HH2 ARG 19 -8.591 2.067 -5.669
111 2HH1 ARG 19 1HH2 ARG 19 -9.530 1.061 -6.738
112 1HH2 ARG 19 1HH1 ARG 19 -7.634 -1.832 -5.768
113 2HH2 ARG 19 2HH1 ARG 19 -9.041 -1.370 -6.737
114 H CYS 20 H CYS 20 -1.394 3.428 -2.714
115 HA CYS 20 HA CYS 20 -2.041 2.854 0.143
116 2HB CYS 20 2HB CYS 20 -0.629 5.235 -1.085
117 H SER 21 H SER 21 -4.246 3.205 0.451
118 HA SER 21 HA SER 21 -5.561 5.517 -0.725
119 2HB SER 21 2HB SER 21 -7.261 3.750 -1.735
120 HG SER 21 HG SER 21 -4.863 4.793 -2.781
121 H TYR 22 H TYR 22 -7.568 5.905 0.284
122 HA TYR 22 HA TYR 22 -8.907 5.994 2.120
123 2HB TYR 22 2HB TYR 22 -8.791 3.058 2.301
124 HD1 TYR 22 1HD TYR 22 -11.478 5.467 1.328
125 HD2 TYR 22 2HD TYR 22 -10.029 2.729 4.330
126 HE1 TYR 22 1HE TYR 22 -13.639 5.631 2.520
127 HE2 TYR 22 2HE TYR 22 -12.198 2.896 5.519
128 HH TYR 22 HH TYR 22 -14.888 4.921 4.322
129 H GLY 23 H GLY 23 -6.001 6.124 2.568
130 1HA GLY 23 2HA GLY 23 -4.615 6.406 4.353
131 2HA GLY 23 3HA GLY 23 -5.953 6.000 5.435
132 H THR 24 H THR 24 -5.489 3.516 3.161
133 HA THR 24 HA THR 24 -3.875 1.846 5.010
134 HB THR 24 HB THR 24 -6.357 1.249 3.354
135 HG1 THR 24 1HG THR 24 -5.707 1.015 6.111
136 1HG2 THR 24 1HG2 THR 24 -6.182 -1.068 4.277
137 2HG2 THR 24 2HG2 THR 24 -4.929 -0.707 3.087
138 3HG2 THR 24 3HG2 THR 24 -4.530 -0.711 4.821
139 H CYS 25 H CYS 25 -2.267 0.625 4.116
140 HA CYS 25 HA CYS 25 -1.676 1.007 1.242
141 2HB CYS 25 2HB CYS 25 0.003 0.888 3.402
142 H TYR 26 H TYR 26 -3.228 0.009 0.188
143 HA TYR 26 HA TYR 26 -4.344 -2.618 0.881
144 2HB TYR 26 2HB TYR 26 -5.217 -2.303 -1.538
145 HD1 TYR 26 1HD TYR 26 -5.720 1.080 -0.295
146 HD2 TYR 26 2HD TYR 26 -6.993 -3.017 0.053
147 HE1 TYR 26 1HE TYR 26 -8.014 1.826 0.354
148 HE2 TYR 26 2HE TYR 26 -9.183 -2.269 0.919
149 HH TYR 26 HH TYR 26 -10.536 -0.450 1.403
150 H CYS 27 H CYS 27 -3.251 -4.531 0.337
151 HA CYS 27 HA CYS 27 -1.124 -4.270 -1.656
152 2HB CYS 27 2HB CYS 27 -0.207 -6.349 -1.041
153 H LYS 28 H LYS 28 -1.091 -5.667 -3.654
154 HA LYS 28 HA LYS 28 -3.808 -6.173 -4.502
155 2HB LYS 28 2HB LYS 28 -1.377 -7.133 -6.021
156 2HG LYS 28 2HG LYS 28 -3.906 -5.551 -6.668
157 2HD LYS 28 2HD LYS 28 -3.327 -6.182 -9.073
158 2HE LYS 28 2HE LYS 28 -1.510 -4.520 -9.445
159 1HZ LYS 28 1HZ LYS 28 -3.558 -3.587 -7.509
160 2HZ LYS 28 2HZ LYS 28 -2.604 -2.626 -8.405
161 3HZ LYS 28 3HZ LYS 28 -3.699 -3.617 -9.127
162 H THR 29 H THR 29 -0.864 -8.132 -3.843
163 HA THR 29 HA THR 29 -2.262 -10.632 -3.797
164 HB THR 29 HB THR 29 0.446 -10.090 -2.545
165 HG1 THR 29 1HG THR 29 -0.139 -10.166 -5.312
166 1HG2 THR 29 1HG2 THR 29 1.014 -12.230 -3.634
167 2HG2 THR 29 2HG2 THR 29 -0.396 -12.439 -2.584
168 3HG2 THR 29 3HG2 THR 29 -0.610 -12.332 -4.343
169 H THR 30 H THR 30 -3.810 -9.111 -2.084
170 HA THR 30 HA THR 30 -3.010 -9.675 0.707
171 HB THR 30 HB THR 30 -5.674 -8.686 -0.377
172 HG1 THR 30 1HG THR 30 -4.181 -7.105 -0.683
173 1HG2 THR 30 1HG2 THR 30 -6.007 -7.936 1.969
174 2HG2 THR 30 2HG2 THR 30 -5.910 -9.699 1.889
175 3HG2 THR 30 3HG2 THR 30 -4.512 -8.758 2.453
176 1HN NH2 31 H NH2 31 -2.531 -11.952 0.081
177 2HN NH2 31 2HN NH2 31 -3.854 -13.119 0.174
Start of MODEL 23
1 HA PCA 1 HA PCA 1 0.762 8.674 6.404
2 1HB PCA 1 3HB PCA 1 2.263 10.134 7.433
3 2HB PCA 1 2HB PCA 1 1.636 9.366 8.925
4 1HG PCA 1 2HG PCA 1 0.202 11.223 9.348
5 2HG PCA 1 3HG PCA 1 1.466 12.092 8.427
6 H THR 2 H THR 2 -0.259 6.791 6.967
7 HA THR 2 HA THR 2 -1.578 6.531 9.615
8 HB THR 2 HB THR 2 -2.955 5.821 7.049
9 HG1 THR 2 1HG THR 2 -2.918 8.110 8.508
10 1HG2 THR 2 1HG2 THR 2 -3.954 5.835 9.952
11 2HG2 THR 2 2HG2 THR 2 -4.931 5.437 8.529
12 3HG2 THR 2 3HG2 THR 2 -3.625 4.355 9.031
13 H GLN 3 H GLN 3 -2.197 3.936 7.570
14 HA GLN 3 HA GLN 3 -0.069 2.252 8.644
15 2HB GLN 3 2HB GLN 3 -0.508 0.823 6.652
16 2HG GLN 3 2HG GLN 3 -3.174 1.577 7.984
17 1HE2 GLN 3 1HE2 GLN 3 -4.117 -0.365 8.750
18 2HE2 GLN 3 2HE2 GLN 3 -4.179 -1.617 7.562
19 H CYS 4 H CYS 4 -0.523 4.309 5.827
20 HA CYS 4 HA CYS 4 2.357 4.382 5.176
21 2HB CYS 4 2HB CYS 4 1.454 2.775 3.605
22 H GLN 5 H GLN 5 2.782 6.166 3.740
23 HA GLN 5 HA GLN 5 0.944 8.515 3.901
24 2HB GLN 5 2HB GLN 5 3.839 8.567 3.050
25 2HG GLN 5 2HG GLN 5 2.174 10.534 4.688
26 1HE2 GLN 5 1HE2 GLN 5 4.846 10.069 5.328
27 2HE2 GLN 5 2HE2 GLN 5 5.813 11.388 4.694
28 H SER 6 H SER 6 2.870 6.311 1.790
29 HA SER 6 HA SER 6 1.116 6.897 -0.458
30 2HB SER 6 2HB SER 6 2.392 8.661 -1.086
31 HG SER 6 HG SER 6 4.094 8.146 0.623
32 H VAL 7 H VAL 7 2.106 5.779 -2.456
33 HA VAL 7 HA VAL 7 1.968 3.088 -1.882
34 HB VAL 7 HB VAL 7 1.478 4.289 -4.020
35 1HG1 VAL 7 1HG1 VAL 7 4.441 3.978 -4.607
36 2HG1 VAL 7 2HG1 VAL 7 3.200 4.621 -5.693
37 3HG1 VAL 7 3HG1 VAL 7 3.659 5.537 -4.245
38 1HG2 VAL 7 1HG2 VAL 7 2.028 2.403 -5.435
39 2HG2 VAL 7 2HG2 VAL 7 3.215 1.830 -4.229
40 3HG2 VAL 7 3HG2 VAL 7 1.480 1.895 -3.819
41 H ARG 8 H ARG 8 4.870 5.073 -2.136
42 HA ARG 8 HA ARG 8 7.023 3.311 -2.060
43 2HB ARG 8 2HB ARG 8 7.842 5.035 -0.219
44 2HG ARG 8 2HG ARG 8 8.720 5.039 -2.508
45 2HD ARG 8 2HD ARG 8 7.845 7.037 -3.864
46 HE ARG 8 HE ARG 8 6.845 4.277 -4.016
47 1HH1 ARG 8 2HH2 ARG 8 6.754 7.453 -5.586
48 2HH1 ARG 8 1HH2 ARG 8 6.521 6.809 -7.182
49 1HH2 ARG 8 1HH1 ARG 8 6.496 3.442 -6.009
50 2HH2 ARG 8 2HH1 ARG 8 6.338 4.425 -7.452
51 H ASP 9 H ASP 9 4.816 4.110 0.723
52 HA ASP 9 HA ASP 9 6.278 2.704 2.723
53 2HB ASP 9 2HB ASP 9 3.869 2.865 3.750
54 H CYS 10 H CYS 10 3.382 1.867 0.720
55 HA CYS 10 HA CYS 10 3.345 -0.824 1.687
56 2HB CYS 10 2HB CYS 10 2.391 -0.680 -0.939
57 H GLN 11 H GLN 11 5.170 0.575 -1.011
58 HA GLN 11 HA GLN 11 5.943 -1.886 -2.167
59 2HB GLN 11 2HB GLN 11 8.049 -0.670 -2.846
60 2HG GLN 11 2HG GLN 11 5.372 0.687 -3.358
61 1HE2 GLN 11 1HE2 GLN 11 8.420 -0.082 -5.120
62 2HE2 GLN 11 2HE2 GLN 11 8.670 1.531 -5.742
63 H GLN 12 H GLN 12 6.912 -0.504 0.932
64 HA GLN 12 HA GLN 12 9.178 -2.381 1.257
65 2HB GLN 12 2HB GLN 12 9.278 -1.341 3.524
66 2HG GLN 12 2HG GLN 12 9.398 0.339 0.992
67 1HE2 GLN 12 1HE2 GLN 12 8.246 2.208 1.636
68 2HE2 GLN 12 2HE2 GLN 12 8.864 3.260 2.906
69 H TYR 13 H TYR 13 5.828 -1.873 2.468
70 HA TYR 13 HA TYR 13 5.880 -4.168 4.216
71 2HB TYR 13 2HB TYR 13 3.429 -3.877 4.288
72 HD1 TYR 13 1HD TYR 13 3.468 -0.401 3.682
73 HD2 TYR 13 2HD TYR 13 4.857 -3.377 6.474
74 HE1 TYR 13 1HE TYR 13 3.260 1.218 5.467
75 HE2 TYR 13 2HE TYR 13 4.608 -1.719 8.306
76 HH TYR 13 HH TYR 13 3.122 1.495 7.724
77 H CYS 14 H CYS 14 5.362 -3.918 0.754
78 HA CYS 14 HA CYS 14 4.454 -6.729 0.490
79 2HB CYS 14 2HB CYS 14 2.634 -5.700 -1.125
80 H LEU 15 H LEU 15 5.168 -7.617 -1.408
81 HA LEU 15 HA LEU 15 7.102 -6.256 -2.975
82 2HB LEU 15 2HB LEU 15 5.568 -8.659 -4.000
83 HG LEU 15 HG LEU 15 7.670 -9.534 -4.657
84 1HD1 LEU 15 1HD1 LEU 15 8.460 -8.031 -6.333
85 2HD1 LEU 15 2HD1 LEU 15 6.715 -7.763 -6.174
86 3HD1 LEU 15 3HD1 LEU 15 7.874 -6.613 -5.458
87 1HD2 LEU 15 1HD2 LEU 15 9.835 -8.533 -4.230
88 2HD2 LEU 15 2HD2 LEU 15 9.103 -7.184 -3.350
89 3HD2 LEU 15 3HD2 LEU 15 9.003 -8.832 -2.696
90 H THR 16 H THR 16 3.663 -7.052 -3.606
91 HA THR 16 HA THR 16 3.647 -5.063 -5.848
92 HB THR 16 HB THR 16 1.993 -7.600 -5.717
93 HG1 THR 16 1HG THR 16 3.582 -8.401 -7.169
94 1HG2 THR 16 1HG2 THR 16 2.822 -5.720 -7.981
95 2HG2 THR 16 2HG2 THR 16 1.774 -7.150 -8.142
96 3HG2 THR 16 3HG2 THR 16 1.224 -5.740 -7.213
97 HA PRO 17 HA PRO 17 0.567 -3.850 -2.825
98 2HB PRO 17 2HB PRO 17 1.264 -2.129 -1.767
99 2HG PRO 17 2HG PRO 17 3.624 -1.808 -2.165
100 2HD PRO 17 2HD PRO 17 3.155 -3.884 -2.458
101 H ASP 18 H ASP 18 -1.469 -2.673 -3.140
102 HA ASP 18 HA ASP 18 -2.331 -2.477 -5.958
103 2HB ASP 18 2HB ASP 18 -4.143 -2.161 -3.552
104 H ARG 19 H ARG 19 -2.842 -0.654 -2.805
105 HA ARG 19 HA ARG 19 -1.774 1.785 -4.012
106 2HB ARG 19 2HB ARG 19 -3.893 2.429 -4.687
107 2HG ARG 19 2HG ARG 19 -5.134 0.748 -2.481
108 2HD ARG 19 2HD ARG 19 -6.291 2.143 -4.984
109 HE ARG 19 HE ARG 19 -8.082 0.427 -3.448
110 1HH1 ARG 19 2HH2 ARG 19 -5.964 0.540 -6.257
111 2HH1 ARG 19 1HH2 ARG 19 -5.963 -1.171 -6.515
112 1HH2 ARG 19 1HH1 ARG 19 -8.422 -1.810 -4.011
113 2HH2 ARG 19 2HH1 ARG 19 -7.278 -2.516 -5.108
114 H CYS 20 H CYS 20 -1.268 3.290 -2.471
115 HA CYS 20 HA CYS 20 -1.847 2.740 0.409
116 2HB CYS 20 2HB CYS 20 -0.376 5.039 -0.887
117 H SER 21 H SER 21 -4.021 3.208 0.803
118 HA SER 21 HA SER 21 -5.262 5.625 -0.274
119 2HB SER 21 2HB SER 21 -7.070 3.946 -1.256
120 HG SER 21 HG SER 21 -4.660 4.891 -2.356
121 H TYR 22 H TYR 22 -7.134 6.144 0.911
122 HA TYR 22 HA TYR 22 -8.210 6.337 2.911
123 2HB TYR 22 2HB TYR 22 -9.513 4.389 3.641
124 HD1 TYR 22 1HD TYR 22 -11.117 6.040 2.738
125 HD2 TYR 22 2HD TYR 22 -9.055 3.246 0.180
126 HE1 TYR 22 1HE TYR 22 -12.795 6.424 0.953
127 HE2 TYR 22 2HE TYR 22 -10.723 3.640 -1.599
128 HH TYR 22 HH TYR 22 -12.659 4.751 -2.200
129 H GLY 23 H GLY 23 -5.483 6.317 3.234
130 1HA GLY 23 2HA GLY 23 -3.811 6.081 4.761
131 2HA GLY 23 3HA GLY 23 -5.097 5.865 5.961
132 H THR 24 H THR 24 -4.974 3.523 3.399
133 HA THR 24 HA THR 24 -3.877 1.453 5.212
134 HB THR 24 HB THR 24 -6.178 1.292 3.220
135 HG1 THR 24 1HG THR 24 -6.718 2.485 5.080
136 1HG2 THR 24 1HG2 THR 24 -5.017 -0.883 3.508
137 2HG2 THR 24 2HG2 THR 24 -5.223 -0.742 5.269
138 3HG2 THR 24 3HG2 THR 24 -6.640 -0.888 4.217
139 H CYS 25 H CYS 25 -2.321 0.119 4.230
140 HA CYS 25 HA CYS 25 -1.654 0.776 1.393
141 2HB CYS 25 2HB CYS 25 0.034 0.694 3.515
142 H TYR 26 H TYR 26 -3.228 -0.172 0.350
143 HA TYR 26 HA TYR 26 -4.249 -2.867 0.787
144 2HB TYR 26 2HB TYR 26 -5.129 -2.374 -1.594
145 HD1 TYR 26 1HD TYR 26 -7.087 -3.078 -0.404
146 HD2 TYR 26 2HD TYR 26 -5.442 0.868 0.168
147 HE1 TYR 26 1HE TYR 26 -9.231 -2.325 0.585
148 HE2 TYR 26 2HE TYR 26 -7.606 1.611 1.126
149 HH TYR 26 HH TYR 26 -9.715 0.996 1.808
150 H CYS 27 H CYS 27 -3.331 -4.754 -0.075
151 HA CYS 27 HA CYS 27 -1.157 -4.404 -2.035
152 2HB CYS 27 2HB CYS 27 -0.025 -6.299 -1.212
153 H LYS 28 H LYS 28 -1.113 -5.608 -3.914
154 HA LYS 28 HA LYS 28 -3.762 -6.301 -4.748
155 2HB LYS 28 2HB LYS 28 -1.267 -6.533 -6.467
156 2HG LYS 28 2HG LYS 28 -2.682 -5.284 -8.044
157 2HD LYS 28 2HD LYS 28 -4.274 -7.628 -6.890
158 2HE LYS 28 2HE LYS 28 -4.113 -6.476 -9.714
159 1HZ LYS 28 1HZ LYS 28 -5.782 -8.650 -8.625
160 2HZ LYS 28 2HZ LYS 28 -5.863 -8.043 -10.151
161 3HZ LYS 28 3HZ LYS 28 -4.515 -8.847 -9.658
162 H THR 29 H THR 29 -3.707 -8.051 -3.116
163 HA THR 29 HA THR 29 -2.430 -10.623 -3.965
164 HB THR 29 HB THR 29 -2.262 -11.019 -1.520
165 HG1 THR 29 1HG THR 29 -3.002 -8.255 -1.352
166 1HG2 THR 29 1HG2 THR 29 -0.356 -9.534 -1.124
167 2HG2 THR 29 2HG2 THR 29 -0.315 -10.168 -2.780
168 3HG2 THR 29 3HG2 THR 29 -0.833 -8.498 -2.482
169 H THR 30 H THR 30 -4.578 -10.007 -1.432
170 HA THR 30 HA THR 30 -7.024 -10.940 -2.641
171 HB THR 30 HB THR 30 -5.901 -13.116 -2.471
172 HG1 THR 30 1HG THR 30 -7.525 -14.139 -1.338
173 1HG2 THR 30 1HG2 THR 30 -5.321 -14.113 -0.302
174 2HG2 THR 30 2HG2 THR 30 -4.353 -12.660 -0.581
175 3HG2 THR 30 3HG2 THR 30 -5.730 -12.606 0.537
176 1HN NH2 31 H NH2 31 -8.365 -11.712 -0.335
177 2HN NH2 31 2HN NH2 31 -8.404 -10.349 0.793
Start of MODEL 24
1 HA PCA 1 HA PCA 1 0.883 8.545 6.303
2 1HB PCA 1 3HB PCA 1 3.049 8.626 7.169
3 2HB PCA 1 2HB PCA 1 2.309 7.711 8.515
4 1HG PCA 1 2HG PCA 1 2.166 9.680 9.850
5 2HG PCA 1 3HG PCA 1 3.556 10.171 8.838
6 H THR 2 H THR 2 -0.850 7.232 6.622
7 HA THR 2 HA THR 2 -2.156 7.022 9.331
8 HB THR 2 HB THR 2 -3.227 6.259 6.631
9 HG1 THR 2 1HG THR 2 -2.919 8.561 7.138
10 1HG2 THR 2 1HG2 THR 2 -5.408 6.167 7.872
11 2HG2 THR 2 2HG2 THR 2 -4.285 5.017 8.608
12 3HG2 THR 2 3HG2 THR 2 -4.575 6.588 9.374
13 H GLN 3 H GLN 3 -2.750 4.361 7.386
14 HA GLN 3 HA GLN 3 -0.772 2.615 8.660
15 2HB GLN 3 2HB GLN 3 -1.203 1.109 6.744
16 2HG GLN 3 2HG GLN 3 -3.901 2.086 7.846
17 1HE2 GLN 3 1HE2 GLN 3 -5.017 0.255 8.630
18 2HE2 GLN 3 2HE2 GLN 3 -5.064 -1.065 7.517
19 H CYS 4 H CYS 4 -1.009 4.597 5.753
20 HA CYS 4 HA CYS 4 1.895 4.463 5.224
21 2HB CYS 4 2HB CYS 4 0.965 2.819 3.715
22 H GLN 5 H GLN 5 2.483 6.108 3.723
23 HA GLN 5 HA GLN 5 0.847 8.598 3.789
24 2HB GLN 5 2HB GLN 5 3.791 8.395 3.099
25 2HG GLN 5 2HG GLN 5 3.440 10.590 4.620
26 1HE2 GLN 5 1HE2 GLN 5 1.697 10.434 1.464
27 2HE2 GLN 5 2HE2 GLN 5 2.949 11.299 0.583
28 H SER 6 H SER 6 2.625 6.199 1.777
29 HA SER 6 HA SER 6 1.177 6.951 -0.650
30 2HB SER 6 2HB SER 6 3.460 7.430 -1.838
31 HG SER 6 HG SER 6 2.015 9.154 -0.168
32 H VAL 7 H VAL 7 1.862 5.478 -2.486
33 HA VAL 7 HA VAL 7 1.660 2.935 -1.723
34 HB VAL 7 HB VAL 7 1.316 3.999 -3.966
35 1HG1 VAL 7 1HG1 VAL 7 3.093 4.023 -5.617
36 2HG1 VAL 7 2HG1 VAL 7 3.568 5.045 -4.253
37 3HG1 VAL 7 3HG1 VAL 7 4.274 3.425 -4.445
38 1HG2 VAL 7 1HG2 VAL 7 1.694 1.965 -5.220
39 2HG2 VAL 7 2HG2 VAL 7 2.810 1.375 -3.962
40 3HG2 VAL 7 3HG2 VAL 7 1.087 1.626 -3.583
41 H ARG 8 H ARG 8 4.761 4.580 -2.079
42 HA ARG 8 HA ARG 8 6.723 2.663 -1.853
43 2HB ARG 8 2HB ARG 8 7.729 4.332 -0.103
44 2HG ARG 8 2HG ARG 8 8.037 6.146 -1.752
45 2HD ARG 8 2HD ARG 8 9.130 3.637 -1.783
46 HE ARG 8 HE ARG 8 8.001 2.631 -3.598
47 1HH1 ARG 8 2HH2 ARG 8 9.426 5.698 -4.646
48 2HH1 ARG 8 1HH2 ARG 8 9.528 5.230 -6.316
49 1HH2 ARG 8 1HH1 ARG 8 8.054 2.042 -5.670
50 2HH2 ARG 8 2HH1 ARG 8 8.709 3.049 -6.953
51 H ASP 9 H ASP 9 4.672 3.825 0.900
52 HA ASP 9 HA ASP 9 5.809 2.349 2.991
53 2HB ASP 9 2HB ASP 9 3.345 2.712 3.831
54 H CYS 10 H CYS 10 3.017 1.599 0.821
55 HA CYS 10 HA CYS 10 2.765 -1.039 1.931
56 2HB CYS 10 2HB CYS 10 1.926 -0.882 -0.783
57 H GLN 11 H GLN 11 4.695 0.223 -0.779
58 HA GLN 11 HA GLN 11 5.337 -2.330 -1.893
59 2HB GLN 11 2HB GLN 11 7.365 -1.148 -2.817
60 2HG GLN 11 2HG GLN 11 4.584 0.029 -3.142
61 1HE2 GLN 11 1HE2 GLN 11 4.361 0.471 -5.691
62 2HE2 GLN 11 2HE2 GLN 11 5.521 1.634 -6.283
63 H GLN 12 H GLN 12 6.702 -0.550 0.868
64 HA GLN 12 HA GLN 12 8.828 -2.447 1.385
65 2HB GLN 12 2HB GLN 12 8.758 -1.508 3.687
66 2HG GLN 12 2HG GLN 12 8.788 0.371 1.288
67 1HE2 GLN 12 1HE2 GLN 12 9.269 0.266 4.863
68 2HE2 GLN 12 2HE2 GLN 12 9.252 2.014 5.024
69 H TYR 13 H TYR 13 5.395 -2.246 2.418
70 HA TYR 13 HA TYR 13 5.638 -4.629 4.079
71 2HB TYR 13 2HB TYR 13 3.252 -4.271 4.501
72 HD1 TYR 13 1HD TYR 13 5.565 -3.663 6.117
73 HD2 TYR 13 2HD TYR 13 2.778 -0.961 4.233
74 HE1 TYR 13 1HE TYR 13 6.140 -1.920 7.757
75 HE2 TYR 13 2HE TYR 13 3.348 0.779 5.894
76 HH TYR 13 HH TYR 13 5.754 0.235 8.481
77 H CYS 14 H CYS 14 4.864 -4.273 0.713
78 HA CYS 14 HA CYS 14 3.810 -7.047 0.503
79 2HB CYS 14 2HB CYS 14 2.016 -5.914 -1.089
80 H LEU 15 H LEU 15 4.480 -8.006 -1.372
81 HA LEU 15 HA LEU 15 6.477 -6.800 -2.951
82 2HB LEU 15 2HB LEU 15 4.740 -9.092 -3.932
83 HG LEU 15 HG LEU 15 6.764 -10.140 -4.618
84 1HD1 LEU 15 1HD1 LEU 15 7.101 -7.276 -5.568
85 2HD1 LEU 15 2HD1 LEU 15 7.579 -8.764 -6.388
86 3HD1 LEU 15 3HD1 LEU 15 5.860 -8.395 -6.188
87 1HD2 LEU 15 1HD2 LEU 15 8.391 -7.824 -3.496
88 2HD2 LEU 15 2HD2 LEU 15 8.211 -9.421 -2.739
89 3HD2 LEU 15 3HD2 LEU 15 8.997 -9.267 -4.320
90 H THR 16 H THR 16 2.988 -7.323 -3.624
91 HA THR 16 HA THR 16 3.131 -5.239 -5.779
92 HB THR 16 HB THR 16 1.373 -7.712 -5.839
93 HG1 THR 16 1HG THR 16 3.660 -8.137 -6.063
94 1HG2 THR 16 1HG2 THR 16 1.094 -7.043 -8.208
95 2HG2 THR 16 2HG2 THR 16 0.545 -5.741 -7.133
96 3HG2 THR 16 3HG2 THR 16 2.124 -5.620 -7.936
97 HA PRO 17 HA PRO 17 0.039 -4.005 -2.808
98 2HB PRO 17 2HB PRO 17 0.801 -2.323 -1.663
99 2HG PRO 17 2HG PRO 17 3.137 -2.053 -2.025
100 2HD PRO 17 2HD PRO 17 2.656 -4.119 -2.372
101 H ASP 18 H ASP 18 -1.913 -2.643 -3.198
102 HA ASP 18 HA ASP 18 -2.601 -2.235 -6.047
103 2HB ASP 18 2HB ASP 18 -4.288 -1.881 -3.551
104 H ARG 19 H ARG 19 -2.884 -0.466 -2.893
105 HA ARG 19 HA ARG 19 -1.589 1.905 -4.022
106 2HB ARG 19 2HB ARG 19 -3.593 2.789 -4.768
107 2HG ARG 19 2HG ARG 19 -5.113 0.975 -2.855
108 2HD ARG 19 2HD ARG 19 -6.017 2.409 -5.418
109 HE ARG 19 HE ARG 19 -6.749 0.111 -4.959
110 1HH1 ARG 19 2HH2 ARG 19 -8.742 2.520 -3.335
111 2HH1 ARG 19 1HH2 ARG 19 -9.601 1.312 -2.402
112 1HH2 ARG 19 1HH1 ARG 19 -7.815 -1.325 -4.080
113 2HH2 ARG 19 2HH1 ARG 19 -9.218 -1.048 -3.036
114 H CYS 20 H CYS 20 -1.186 3.434 -2.438
115 HA CYS 20 HA CYS 20 -2.007 2.890 0.376
116 2HB CYS 20 2HB CYS 20 -0.446 5.196 -0.825
117 H SER 21 H SER 21 -4.236 3.350 0.551
118 HA SER 21 HA SER 21 -5.301 5.800 -0.617
119 2HB SER 21 2HB SER 21 -7.115 4.230 -1.708
120 HG SER 21 HG SER 21 -4.604 5.067 -2.637
121 H TYR 22 H TYR 22 -7.244 6.413 0.378
122 HA TYR 22 HA TYR 22 -8.418 6.730 2.304
123 2HB TYR 22 2HB TYR 22 -9.768 4.796 3.101
124 HD1 TYR 22 1HD TYR 22 -9.209 3.997 -0.491
125 HD2 TYR 22 2HD TYR 22 -11.507 6.277 2.354
126 HE1 TYR 22 1HE TYR 22 -10.903 4.458 -2.233
127 HE2 TYR 22 2HE TYR 22 -13.193 6.750 0.601
128 HH TYR 22 HH TYR 22 -12.906 5.503 -2.733
129 H GLY 23 H GLY 23 -5.709 6.636 2.724
130 1HA GLY 23 2HA GLY 23 -4.086 6.410 4.301
131 2HA GLY 23 3HA GLY 23 -5.410 6.347 5.475
132 H THR 24 H THR 24 -5.307 3.836 3.071
133 HA THR 24 HA THR 24 -4.395 1.835 5.047
134 HB THR 24 HB THR 24 -6.577 1.639 2.922
135 HG1 THR 24 1HG THR 24 -7.170 2.954 4.696
136 1HG2 THR 24 1HG2 THR 24 -5.847 -0.308 5.140
137 2HG2 THR 24 2HG2 THR 24 -7.180 -0.463 3.987
138 3HG2 THR 24 3HG2 THR 24 -5.506 -0.554 3.412
139 H CYS 25 H CYS 25 -2.841 0.374 4.222
140 HA CYS 25 HA CYS 25 -1.960 0.889 1.416
141 2HB CYS 25 2HB CYS 25 -0.419 0.618 3.661
142 H TYR 26 H TYR 26 -3.453 0.027 0.210
143 HA TYR 26 HA TYR 26 -4.752 -2.562 0.649
144 2HB TYR 26 2HB TYR 26 -5.430 -2.081 -1.783
145 HD1 TYR 26 1HD TYR 26 -5.643 1.207 -0.100
146 HD2 TYR 26 2HD TYR 26 -7.526 -2.596 -0.848
147 HE1 TYR 26 1HE TYR 26 -7.878 2.247 0.127
148 HE2 TYR 26 2HE TYR 26 -9.751 -1.536 -0.650
149 HH TYR 26 HH TYR 26 -10.299 1.827 -0.072
150 H CYS 27 H CYS 27 -3.878 -4.537 -0.055
151 HA CYS 27 HA CYS 27 -1.693 -4.398 -2.008
152 2HB CYS 27 2HB CYS 27 -0.691 -6.355 -1.169
153 H LYS 28 H LYS 28 -1.639 -5.750 -3.839
154 HA LYS 28 HA LYS 28 -4.267 -6.361 -4.697
155 2HB LYS 28 2HB LYS 28 -1.663 -7.072 -6.128
156 2HG LYS 28 2HG LYS 28 -4.495 -6.359 -6.821
157 2HD LYS 28 2HD LYS 28 -3.917 -5.739 -9.108
158 2HE LYS 28 2HE LYS 28 -2.267 -3.737 -7.629
159 1HZ LYS 28 1HZ LYS 28 -4.932 -3.601 -8.891
160 2HZ LYS 28 2HZ LYS 28 -4.281 -2.392 -8.030
161 3HZ LYS 28 3HZ LYS 28 -3.528 -2.890 -9.429
162 H THR 29 H THR 29 -1.870 -8.201 -3.026
163 HA THR 29 HA THR 29 -3.516 -10.457 -2.851
164 HB THR 29 HB THR 29 -2.552 -11.055 -5.039
165 HG1 THR 29 1HG THR 29 -2.802 -12.773 -3.703
166 1HG2 THR 29 1HG2 THR 29 -0.484 -9.708 -5.015
167 2HG2 THR 29 2HG2 THR 29 0.200 -10.753 -3.749
168 3HG2 THR 29 3HG2 THR 29 -0.153 -11.413 -5.353
169 H THR 30 H THR 30 -1.226 -12.009 -1.985
170 HA THR 30 HA THR 30 -1.058 -11.081 0.685
171 HB THR 30 HB THR 30 0.674 -13.235 -0.587
172 HG1 THR 30 1HG THR 30 -1.151 -14.564 -0.293
173 1HG2 THR 30 1HG2 THR 30 0.323 -14.357 1.591
174 2HG2 THR 30 2HG2 THR 30 1.055 -12.765 1.841
175 3HG2 THR 30 3HG2 THR 30 -0.681 -13.004 2.149
176 1HN NH2 31 H NH2 31 -0.151 -8.860 0.031
177 2HN NH2 31 2HN NH2 31 1.595 -8.691 0.167
Start of MODEL 25
1 HA PCA 1 HA PCA 1 0.062 9.635 5.021
2 1HB PCA 1 3HB PCA 1 2.236 10.001 5.897
3 2HB PCA 1 2HB PCA 1 1.614 8.943 7.197
4 1HG PCA 1 2HG PCA 1 1.140 10.834 8.586
5 2HG PCA 1 3HG PCA 1 2.527 11.504 7.675
6 H THR 2 H THR 2 -0.524 7.544 6.035
7 HA THR 2 HA THR 2 -1.934 7.608 8.637
8 HB THR 2 HB THR 2 -3.335 6.579 6.188
9 HG1 THR 2 1HG THR 2 -3.255 9.086 7.303
10 1HG2 THR 2 1HG2 THR 2 -4.328 7.169 9.032
11 2HG2 THR 2 2HG2 THR 2 -5.318 6.546 7.702
12 3HG2 THR 2 3HG2 THR 2 -4.052 5.533 8.407
13 H GLN 3 H GLN 3 -2.691 4.798 7.009
14 HA GLN 3 HA GLN 3 -0.663 3.234 8.359
15 2HB GLN 3 2HB GLN 3 -1.358 1.415 6.856
16 2HG GLN 3 2HG GLN 3 -3.840 2.937 7.867
17 1HE2 GLN 3 1HE2 GLN 3 -5.196 1.568 8.996
18 2HE2 GLN 3 2HE2 GLN 3 -5.433 0.008 8.293
19 H CYS 4 H CYS 4 -0.815 4.974 5.317
20 HA CYS 4 HA CYS 4 2.025 4.402 4.759
21 2HB CYS 4 2HB CYS 4 0.953 2.941 3.261
22 H GLN 5 H GLN 5 3.061 6.097 3.781
23 HA GLN 5 HA GLN 5 1.858 8.778 3.735
24 2HB GLN 5 2HB GLN 5 4.462 7.909 2.477
25 2HG GLN 5 2HG GLN 5 3.769 10.400 4.091
26 1HE2 GLN 5 1HE2 GLN 5 6.202 9.330 4.491
27 2HE2 GLN 5 2HE2 GLN 5 7.408 10.147 3.513
28 H SER 6 H SER 6 2.725 6.214 1.421
29 HA SER 6 HA SER 6 1.051 7.096 -0.724
30 2HB SER 6 2HB SER 6 3.109 7.577 -2.269
31 HG SER 6 HG SER 6 2.068 9.349 -0.347
32 H VAL 7 H VAL 7 1.767 5.669 -2.782
33 HA VAL 7 HA VAL 7 1.642 3.066 -2.080
34 HB VAL 7 HB VAL 7 1.098 4.148 -4.231
35 1HG1 VAL 7 1HG1 VAL 7 3.166 5.494 -4.581
36 2HG1 VAL 7 2HG1 VAL 7 4.075 3.997 -4.880
37 3HG1 VAL 7 3HG1 VAL 7 2.766 4.473 -5.969
38 1HG2 VAL 7 1HG2 VAL 7 2.910 1.744 -4.511
39 2HG2 VAL 7 2HG2 VAL 7 1.207 1.738 -3.980
40 3HG2 VAL 7 3HG2 VAL 7 1.622 2.264 -5.627
41 H ARG 8 H ARG 8 4.636 4.926 -2.425
42 HA ARG 8 HA ARG 8 6.610 2.923 -2.389
43 2HB ARG 8 2HB ARG 8 7.879 4.578 -0.933
44 2HG ARG 8 2HG ARG 8 6.668 5.618 -3.534
45 2HD ARG 8 2HD ARG 8 9.133 6.377 -1.885
46 HE ARG 8 HE ARG 8 8.837 7.642 -4.483
47 1HH1 ARG 8 2HH2 ARG 8 10.272 4.872 -2.850
48 2HH1 ARG 8 1HH2 ARG 8 11.616 4.701 -3.937
49 1HH2 ARG 8 1HH1 ARG 8 10.597 7.442 -5.981
50 2HH2 ARG 8 2HH1 ARG 8 11.781 6.196 -5.778
51 H ASP 9 H ASP 9 4.599 4.101 0.351
52 HA ASP 9 HA ASP 9 6.072 2.662 2.327
53 2HB ASP 9 2HB ASP 9 3.356 2.898 3.181
54 H CYS 10 H CYS 10 3.061 1.941 0.464
55 HA CYS 10 HA CYS 10 2.899 -0.654 1.675
56 2HB CYS 10 2HB CYS 10 1.982 -0.691 -0.997
57 H GLN 11 H GLN 11 4.774 0.524 -1.123
58 HA GLN 11 HA GLN 11 5.402 -2.052 -2.136
59 2HB GLN 11 2HB GLN 11 7.505 -0.913 -3.031
60 2HG GLN 11 2HG GLN 11 4.700 0.116 -3.603
61 1HE2 GLN 11 1HE2 GLN 11 5.401 2.296 -4.034
62 2HE2 GLN 11 2HE2 GLN 11 6.327 2.645 -5.494
63 H GLN 12 H GLN 12 7.066 -0.217 0.593
64 HA GLN 12 HA GLN 12 8.932 -2.348 0.970
65 2HB GLN 12 2HB GLN 12 9.538 -0.182 1.641
66 2HG GLN 12 2HG GLN 12 7.162 -0.305 3.494
67 1HE2 GLN 12 1HE2 GLN 12 7.073 2.418 4.426
68 2HE2 GLN 12 2HE2 GLN 12 8.566 2.691 5.268
69 H TYR 13 H TYR 13 5.591 -1.831 1.967
70 HA TYR 13 HA TYR 13 5.627 -3.825 4.052
71 2HB TYR 13 2HB TYR 13 3.175 -2.846 2.569
72 HD1 TYR 13 1HD TYR 13 1.460 -4.208 3.497
73 HD2 TYR 13 2HD TYR 13 4.504 -2.568 6.070
74 HE1 TYR 13 1HE TYR 13 0.254 -5.077 5.478
75 HE2 TYR 13 2HE TYR 13 3.293 -3.427 8.049
76 HH TYR 13 HH TYR 13 1.459 -4.593 8.809
77 H CYS 14 H CYS 14 4.865 -3.908 0.632
78 HA CYS 14 HA CYS 14 3.980 -6.765 0.656
79 2HB CYS 14 2HB CYS 14 2.198 -5.783 -1.080
80 H LEU 15 H LEU 15 4.735 -7.878 -1.104
81 HA LEU 15 HA LEU 15 6.629 -6.655 -2.838
82 2HB LEU 15 2HB LEU 15 5.394 -9.203 -3.764
83 HG LEU 15 HG LEU 15 7.617 -10.076 -3.712
84 1HD1 LEU 15 1HD1 LEU 15 7.086 -8.576 -5.630
85 2HD1 LEU 15 2HD1 LEU 15 7.894 -7.238 -4.776
86 3HD1 LEU 15 3HD1 LEU 15 8.815 -8.670 -5.255
87 1HD2 LEU 15 1HD2 LEU 15 8.356 -9.106 -1.559
88 2HD2 LEU 15 2HD2 LEU 15 9.565 -8.936 -2.840
89 3HD2 LEU 15 3HD2 LEU 15 8.605 -7.536 -2.347
90 H THR 16 H THR 16 3.142 -6.910 -3.094
91 HA THR 16 HA THR 16 3.304 -5.303 -5.554
92 HB THR 16 HB THR 16 1.607 -7.812 -5.611
93 HG1 THR 16 1HG THR 16 4.281 -7.362 -6.309
94 1HG2 THR 16 1HG2 THR 16 2.551 -5.857 -7.758
95 2HG2 THR 16 2HG2 THR 16 1.543 -7.292 -8.025
96 3HG2 THR 16 3HG2 THR 16 0.913 -5.919 -7.080
97 HA PRO 17 HA PRO 17 0.114 -3.957 -2.725
98 2HB PRO 17 2HB PRO 17 0.919 -2.214 -1.753
99 2HG PRO 17 2HG PRO 17 3.213 -1.816 -2.257
100 2HD PRO 17 2HD PRO 17 2.831 -3.926 -2.363
101 H ASP 18 H ASP 18 -1.758 -2.533 -3.183
102 HA ASP 18 HA ASP 18 -2.653 -2.509 -6.021
103 2HB ASP 18 2HB ASP 18 -4.182 -2.021 -3.432
104 H ARG 19 H ARG 19 -2.879 -0.511 -2.992
105 HA ARG 19 HA ARG 19 -1.715 1.825 -4.305
106 2HB ARG 19 2HB ARG 19 -3.778 2.578 -5.063
107 2HG ARG 19 2HG ARG 19 -5.147 0.869 -2.962
108 2HD ARG 19 2HD ARG 19 -6.256 2.031 -5.571
109 HE ARG 19 HE ARG 19 -6.819 -0.259 -4.860
110 1HH1 ARG 19 2HH2 ARG 19 -8.878 2.175 -3.368
111 2HH1 ARG 19 1HH2 ARG 19 -9.701 0.999 -2.378
112 1HH2 ARG 19 1HH1 ARG 19 -7.735 -1.660 -3.776
113 2HH2 ARG 19 2HH1 ARG 19 -9.089 -1.369 -2.673
114 H CYS 20 H CYS 20 -1.330 3.453 -2.807
115 HA CYS 20 HA CYS 20 -2.050 3.012 0.056
116 2HB CYS 20 2HB CYS 20 -0.538 5.279 -1.271
117 H SER 21 H SER 21 -4.269 3.417 0.261
118 HA SER 21 HA SER 21 -5.435 5.791 -0.975
119 2HB SER 21 2HB SER 21 -7.226 4.120 -1.951
120 HG SER 21 HG SER 21 -4.757 4.983 -2.977
121 H TYR 22 H TYR 22 -7.360 6.386 0.057
122 HA TYR 22 HA TYR 22 -8.605 6.652 1.947
123 2HB TYR 22 2HB TYR 22 -8.882 3.711 1.912
124 HD1 TYR 22 1HD TYR 22 -9.930 3.179 3.993
125 HD2 TYR 22 2HD TYR 22 -11.219 6.645 1.769
126 HE1 TYR 22 1HE TYR 22 -11.792 3.505 5.580
127 HE2 TYR 22 2HE TYR 22 -13.085 6.970 3.372
128 HH TYR 22 HH TYR 22 -13.616 4.798 6.155
129 H GLY 23 H GLY 23 -5.891 6.729 2.430
130 1HA GLY 23 2HA GLY 23 -4.285 6.618 4.026
131 2HA GLY 23 3HA GLY 23 -5.612 6.486 5.192
132 H THR 24 H THR 24 -5.337 3.956 2.821
133 HA THR 24 HA THR 24 -4.317 2.014 4.824
134 HB THR 24 HB THR 24 -6.507 1.702 2.721
135 HG1 THR 24 1HG THR 24 -7.151 3.020 4.470
136 1HG2 THR 24 1HG2 THR 24 -5.653 -0.175 4.955
137 2HG2 THR 24 2HG2 THR 24 -7.009 -0.406 3.842
138 3HG2 THR 24 3HG2 THR 24 -5.352 -0.432 3.221
139 H CYS 25 H CYS 25 -2.647 0.725 4.028
140 HA CYS 25 HA CYS 25 -1.880 1.091 1.182
141 2HB CYS 25 2HB CYS 25 -0.298 0.980 3.421
142 H TYR 26 H TYR 26 -3.408 0.128 0.090
143 HA TYR 26 HA TYR 26 -4.588 -2.484 0.698
144 2HB TYR 26 2HB TYR 26 -5.424 -2.109 -1.708
145 HD1 TYR 26 1HD TYR 26 -5.700 1.292 -0.384
146 HD2 TYR 26 2HD TYR 26 -7.357 -2.686 -0.392
147 HE1 TYR 26 1HE TYR 26 -7.967 2.213 0.080
148 HE2 TYR 26 2HE TYR 26 -9.590 -1.759 0.160
149 HH TYR 26 HH TYR 26 -10.174 1.698 0.665
150 H CYS 27 H CYS 27 -3.810 -4.478 -0.130
151 HA CYS 27 HA CYS 27 -1.756 -4.358 -2.213
152 2HB CYS 27 2HB CYS 27 -0.522 -6.144 -1.288
153 H LYS 28 H LYS 28 -1.614 -6.103 -3.682
154 HA LYS 28 HA LYS 28 -4.176 -7.631 -3.948
155 2HB LYS 28 2HB LYS 28 -4.490 -5.759 -5.377
156 2HG LYS 28 2HG LYS 28 -1.564 -6.130 -6.110
157 2HD LYS 28 2HD LYS 28 -1.890 -4.572 -7.966
158 2HE LYS 28 2HE LYS 28 -2.739 -6.022 -9.651
159 1HZ LYS 28 1HZ LYS 28 -2.040 -7.842 -7.414
160 2HZ LYS 28 2HZ LYS 28 -2.022 -8.220 -9.010
161 3HZ LYS 28 3HZ LYS 28 -0.962 -7.111 -8.417
162 H THR 29 H THR 29 -2.451 -9.063 -2.791
163 HA THR 29 HA THR 29 -1.680 -11.063 -4.597
164 HB THR 29 HB THR 29 0.294 -9.696 -4.980
165 HG1 THR 29 1HG THR 29 1.041 -11.707 -3.147
166 1HG2 THR 29 1HG2 THR 29 0.736 -9.653 -1.956
167 2HG2 THR 29 2HG2 THR 29 1.856 -9.060 -3.196
168 3HG2 THR 29 3HG2 THR 29 0.293 -8.258 -2.964
169 H THR 30 H THR 30 -1.542 -12.929 -3.351
170 HA THR 30 HA THR 30 -1.311 -13.068 -0.528
171 HB THR 30 HB THR 30 -3.577 -12.037 -0.566
172 HG1 THR 30 1HG THR 30 -3.372 -13.350 1.102
173 1HG2 THR 30 1HG2 THR 30 -4.456 -14.497 -2.144
174 2HG2 THR 30 2HG2 THR 30 -5.495 -13.229 -1.474
175 3HG2 THR 30 3HG2 THR 30 -4.362 -12.839 -2.779
176 1HN NH2 31 H NH2 31 -2.719 -15.471 -0.159
177 2HN NH2 31 2HN NH2 31 -2.011 -16.700 -1.214
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