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 |
|
|
458047 |
2khb   |
16235 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 4.637 12.980 -5.398
2 HA2 GLY 1 2HA GLY 1 7.265 11.998 -6.086
3 HA3 GLY 1 1HA GLY 1 6.797 11.712 -4.414
4 H LEU 2 H LEU 2 7.172 10.007 -6.957
5 HA LEU 2 HA LEU 2 4.599 8.840 -7.425
6 HB2 LEU 2 2HB LEU 2 6.393 8.854 -9.121
7 HB3 LEU 2 1HB LEU 2 7.363 7.815 -8.094
8 HG LEU 2 HG LEU 2 5.573 6.068 -8.293
9 HD11 LEU 2 1HD1 LEU 2 4.499 7.963 -10.378
10 HD12 LEU 2 2HD1 LEU 2 3.700 7.486 -8.879
11 HD13 LEU 2 3HD1 LEU 2 3.976 6.294 -10.149
12 HD21 LEU 2 3HD2 LEU 2 6.980 7.051 -10.765
13 HD22 LEU 2 1HD2 LEU 2 6.153 5.497 -10.664
14 HD23 LEU 2 2HD2 LEU 2 7.533 5.831 -9.618
15 HA PRO 3 HA PRO 3 4.723 6.308 -3.743
16 HB2 PRO 3 2HB PRO 3 2.375 4.977 -4.886
17 HB3 PRO 3 1HB PRO 3 2.509 5.925 -3.404
18 HG2 PRO 3 2HG PRO 3 1.182 6.828 -5.572
19 HG3 PRO 3 1HG PRO 3 2.059 7.911 -4.478
20 HD2 PRO 3 2HD PRO 3 2.880 6.850 -7.156
21 HD3 PRO 3 1HD PRO 3 3.080 8.481 -6.481
22 H VAL 4 H VAL 4 5.815 4.487 -3.392
23 HA VAL 4 HA VAL 4 6.674 2.828 -5.532
24 HB VAL 4 HB VAL 4 6.890 2.293 -2.565
25 HG11 VAL 4 1HG1 VAL 4 9.101 1.267 -3.958
26 HG12 VAL 4 2HG1 VAL 4 7.673 0.776 -4.869
27 HG13 VAL 4 3HG1 VAL 4 7.813 0.364 -3.160
28 HG21 VAL 4 3HG2 VAL 4 9.314 3.211 -3.822
29 HG22 VAL 4 1HG2 VAL 4 8.472 3.847 -2.409
30 HG23 VAL 4 2HG2 VAL 4 8.019 4.391 -4.023
31 H CYS 5 H CYS 5 4.427 2.423 -2.881
32 HA CYS 5 HA CYS 5 3.538 -0.151 -3.923
33 HB2 CYS 5 2HB CYS 5 2.307 1.090 -1.510
34 HB3 CYS 5 1HB CYS 5 2.688 -0.598 -1.829
35 H GLY 6 H GLY 6 1.244 -0.531 -4.266
36 HA2 GLY 6 2HA GLY 6 -0.541 1.733 -4.383
37 HA3 GLY 6 1HA GLY 6 -0.012 1.191 -5.969
38 H GLU 7 H GLU 7 -0.239 -1.235 -3.563
39 HA GLU 7 HA GLU 7 -2.385 -2.516 -5.001
40 HB2 GLU 7 2HB GLU 7 -1.241 -3.419 -2.362
41 HB3 GLU 7 1HB GLU 7 -2.031 -4.395 -3.589
42 HG2 GLU 7 2HG GLU 7 0.100 -4.983 -4.021
43 HG3 GLU 7 1HG GLU 7 0.029 -3.539 -5.032
44 H THR 8 H THR 8 -4.502 -2.683 -4.372
45 HA THR 8 HA THR 8 -5.454 -0.801 -2.471
46 HB THR 8 HB THR 8 -7.659 -1.968 -2.885
47 HG1 THR 8 1HG THR 8 -6.430 -3.948 -3.628
48 HG21 THR 8 3HG2 THR 8 -6.688 0.038 -4.160
49 HG22 THR 8 1HG2 THR 8 -8.006 -0.852 -4.922
50 HG23 THR 8 2HG2 THR 8 -6.343 -1.117 -5.447
51 H CYS 9 H CYS 9 -5.616 -1.060 -0.371
52 HA CYS 9 HA CYS 9 -5.297 -3.714 0.806
53 HB2 CYS 9 2HB CYS 9 -3.964 -1.708 1.588
54 HB3 CYS 9 1HB CYS 9 -5.470 -1.078 2.245
55 H VAL 10 H VAL 10 -7.722 -3.157 -0.525
56 HA VAL 10 HA VAL 10 -9.780 -2.299 1.150
57 HB VAL 10 HB VAL 10 -10.000 -4.339 -1.067
58 HG11 VAL 10 1HG1 VAL 10 -12.273 -2.649 -0.864
59 HG12 VAL 10 2HG1 VAL 10 -11.932 -3.305 0.738
60 HG13 VAL 10 3HG1 VAL 10 -12.175 -4.395 -0.628
61 HG21 VAL 10 3HG2 VAL 10 -9.179 -2.614 -2.280
62 HG22 VAL 10 1HG2 VAL 10 -9.648 -1.406 -1.084
63 HG23 VAL 10 2HG2 VAL 10 -10.853 -2.061 -2.193
64 H GLY 11 H GLY 11 -8.388 -5.480 0.654
65 HA2 GLY 11 2HA GLY 11 -10.177 -6.641 2.652
66 HA3 GLY 11 1HA GLY 11 -9.065 -7.525 1.621
67 H GLY 12 H GLY 12 -7.962 -4.710 3.332
68 HA2 GLY 12 2HA GLY 12 -6.431 -4.434 5.014
69 HA3 GLY 12 1HA GLY 12 -7.177 -5.837 5.761
70 H THR 13 H THR 13 -5.258 -5.491 2.775
71 HA THR 13 HA THR 13 -3.086 -6.977 3.971
72 HB THR 13 HB THR 13 -4.608 -8.737 3.185
73 HG1 THR 13 1HG THR 13 -2.866 -9.820 2.715
74 HG21 THR 13 3HG2 THR 13 -4.565 -7.127 0.725
75 HG22 THR 13 1HG2 THR 13 -5.813 -8.202 1.354
76 HG23 THR 13 2HG2 THR 13 -4.430 -8.869 0.486
77 H CYS 14 H CYS 14 -1.187 -6.982 2.717
78 HA CYS 14 HA CYS 14 -1.125 -5.154 0.421
79 HB2 CYS 14 2HB CYS 14 0.726 -5.043 2.817
80 HB3 CYS 14 1HB CYS 14 0.975 -4.149 1.321
81 H ASN 15 H ASN 15 0.259 -5.760 -1.177
82 HA ASN 15 HA ASN 15 1.305 -8.432 -1.052
83 HB2 ASN 15 2HB ASN 15 0.239 -7.659 -3.093
84 HB3 ASN 15 1HB ASN 15 1.399 -6.343 -3.237
85 HD21 ASN 15 1HD2 ASN 15 3.065 -6.678 -4.518
86 HD22 ASN 15 2HD2 ASN 15 3.658 -8.218 -5.029
87 H THR 16 H THR 16 2.767 -5.241 -1.700
88 HA THR 16 HA THR 16 5.422 -6.269 -1.659
89 HB THR 16 HB THR 16 4.639 -3.378 -1.314
90 HG1 THR 16 1HG THR 16 3.532 -4.005 -3.118
91 HG21 THR 16 3HG2 THR 16 6.902 -3.280 -1.217
92 HG22 THR 16 1HG2 THR 16 6.779 -3.436 -2.969
93 HG23 THR 16 2HG2 THR 16 7.107 -4.857 -1.979
94 HA PRO 17 HA PRO 17 5.780 -6.415 2.808
95 HB2 PRO 17 2HB PRO 17 8.577 -7.105 2.175
96 HB3 PRO 17 1HB PRO 17 7.375 -8.029 3.080
97 HG2 PRO 17 2HG PRO 17 8.171 -8.768 0.622
98 HG3 PRO 17 1HG PRO 17 6.506 -9.013 1.185
99 HD2 PRO 17 2HD PRO 17 7.604 -6.903 -0.633
100 HD3 PRO 17 1HD PRO 17 6.072 -7.796 -0.738
101 H GLY 18 H GLY 18 6.031 -4.618 3.908
102 HA2 GLY 18 2HA GLY 18 7.705 -3.053 4.826
103 HA3 GLY 18 1HA GLY 18 8.255 -2.828 3.167
104 H CYS 19 H CYS 19 5.240 -3.090 2.466
105 HA CYS 19 HA CYS 19 4.759 -0.213 2.659
106 HB2 CYS 19 2HB CYS 19 3.194 -2.373 1.220
107 HB3 CYS 19 1HB CYS 19 2.901 -0.641 1.097
108 H THR 20 H THR 20 3.291 0.709 3.947
109 HA THR 20 HA THR 20 1.932 -0.954 5.900
110 HB THR 20 HB THR 20 1.736 2.039 5.783
111 HG1 THR 20 1HG THR 20 3.766 2.277 6.444
112 HG21 THR 20 3HG2 THR 20 1.223 1.912 8.009
113 HG22 THR 20 1HG2 THR 20 2.209 0.472 8.266
114 HG23 THR 20 2HG2 THR 20 0.628 0.334 7.494
115 H CYS 21 H CYS 21 -0.304 -1.002 6.175
116 HA CYS 21 HA CYS 21 -1.828 -0.522 3.789
117 HB2 CYS 21 2HB CYS 21 -2.311 -2.509 5.084
118 HB3 CYS 21 1HB CYS 21 -2.651 -1.541 6.514
119 H SER 22 H SER 22 -2.964 1.209 3.305
120 HA SER 22 HA SER 22 -3.872 3.000 5.437
121 HB2 SER 22 2HB SER 22 -2.592 3.887 2.830
122 HB3 SER 22 1HB SER 22 -3.257 4.952 4.072
123 HG SER 22 HG SER 22 -1.520 3.274 5.207
124 H TRP 23 H TRP 23 -5.620 1.476 4.940
125 HA TRP 23 HA TRP 23 -7.078 0.871 2.880
126 HB2 TRP 23 2HB TRP 23 -7.652 0.765 5.414
127 HB3 TRP 23 1HB TRP 23 -8.587 2.220 5.086
128 HD1 TRP 23 HD TRP 23 -8.455 -1.509 4.172
129 HE1 TRP 23 1HE TRP 23 -10.771 -2.232 3.314
130 HE3 TRP 23 3HE TRP 23 -10.725 3.069 4.051
131 HZ2 TRP 23 2HZ TRP 23 -13.236 -1.013 2.667
132 HZ3 TRP 23 3HZ TRP 23 -13.064 3.204 3.297
133 HH2 TRP 23 HH TRP 23 -14.291 1.205 2.619
134 HA PRO 24 HA PRO 24 -8.191 0.547 1.607
135 HB2 PRO 24 2HB PRO 24 -9.234 0.734 -0.832
136 HB3 PRO 24 1HB PRO 24 -10.211 1.057 0.606
137 HG2 PRO 24 2HG PRO 24 -9.108 2.948 -1.388
138 HG3 PRO 24 1HG PRO 24 -10.547 3.099 -0.370
139 HD2 PRO 24 2HD PRO 24 -7.934 4.197 0.088
140 HD3 PRO 24 1HD PRO 24 -9.371 4.334 1.120
141 H VAL 25 H VAL 25 -5.692 2.266 1.167
142 HA VAL 25 HA VAL 25 -4.639 0.632 -1.041
143 HB VAL 25 HB VAL 25 -3.313 2.622 -1.865
144 HG11 VAL 25 1HG1 VAL 25 -5.611 3.652 -2.847
145 HG12 VAL 25 2HG1 VAL 25 -6.176 2.085 -2.266
146 HG13 VAL 25 3HG1 VAL 25 -4.858 2.170 -3.436
147 HG21 VAL 25 3HG2 VAL 25 -3.466 4.585 -0.839
148 HG22 VAL 25 1HG2 VAL 25 -4.579 3.876 0.332
149 HG23 VAL 25 2HG2 VAL 25 -5.205 4.627 -1.137
150 H CYS 26 H CYS 26 -2.577 -0.040 -0.851
151 HA CYS 26 HA CYS 26 -1.278 0.345 1.707
152 HB2 CYS 26 2HB CYS 26 -0.512 -1.327 -0.696
153 HB3 CYS 26 1HB CYS 26 0.345 -1.328 0.842
154 H THR 27 H THR 27 0.590 1.467 2.081
155 HA THR 27 HA THR 27 2.162 2.446 -0.139
156 HB THR 27 HB THR 27 0.536 4.220 -0.006
157 HG1 THR 27 1HG THR 27 2.091 5.942 0.755
158 HG21 THR 27 3HG2 THR 27 1.206 4.237 2.923
159 HG22 THR 27 1HG2 THR 27 -0.378 4.093 2.161
160 HG23 THR 27 2HG2 THR 27 0.481 5.633 2.122
161 H ARG 28 H ARG 28 4.213 3.137 0.477
162 HA ARG 28 HA ARG 28 4.990 2.175 3.128
163 HB2 ARG 28 2HB ARG 28 6.156 1.103 1.280
164 HB3 ARG 28 1HB ARG 28 6.661 2.668 0.657
165 HG2 ARG 28 2HG ARG 28 8.090 3.038 2.527
166 HG3 ARG 28 1HG ARG 28 7.451 1.621 3.362
167 HD2 ARG 28 2HD ARG 28 8.413 0.156 1.709
168 HD3 ARG 28 1HD ARG 28 8.931 1.533 0.737
169 HE ARG 28 HE ARG 28 10.801 1.623 2.013
170 HH11 ARG 28 1HH1 ARG 28 8.307 0.075 3.946
171 HH12 ARG 28 2HH1 ARG 28 9.350 -0.174 5.308
172 HH21 ARG 28 1HH2 ARG 28 12.168 1.282 3.811
173 HH22 ARG 28 2HH2 ARG 28 11.545 0.509 5.231
174 H ASN 29 H ASN 29 5.542 3.540 4.644
175 HA ASN 29 HA ASN 29 5.464 6.338 4.197
176 HB2 ASN 29 2HB ASN 29 6.514 4.871 6.633
177 HB3 ASN 29 1HB ASN 29 6.030 6.560 6.564
178 HD21 ASN 29 1HD2 ASN 29 4.071 6.987 7.282
179 HD22 ASN 29 2HD2 ASN 29 2.752 5.874 7.361
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -1.145 8.188 -4.558
2 HA2 GLY 1 2HA GLY 1 -1.200 9.370 -6.774
3 HA3 GLY 1 1HA GLY 1 -0.475 10.724 -5.917
4 H LEU 2 H LEU 2 1.320 9.315 -4.313
5 HA LEU 2 HA LEU 2 3.463 8.928 -6.155
6 HB2 LEU 2 2HB LEU 2 3.780 9.900 -3.912
7 HB3 LEU 2 1HB LEU 2 3.315 8.376 -3.187
8 HG LEU 2 HG LEU 2 5.306 7.327 -4.305
9 HD11 LEU 2 1HD1 LEU 2 5.501 10.018 -5.396
10 HD12 LEU 2 2HD1 LEU 2 6.240 8.514 -5.946
11 HD13 LEU 2 3HD1 LEU 2 7.004 9.456 -4.666
12 HD21 LEU 2 3HD2 LEU 2 5.576 9.494 -2.251
13 HD22 LEU 2 1HD2 LEU 2 6.959 8.520 -2.751
14 HD23 LEU 2 2HD2 LEU 2 5.552 7.746 -2.023
15 HA PRO 3 HA PRO 3 2.615 4.573 -6.775
16 HB2 PRO 3 2HB PRO 3 4.631 4.084 -8.500
17 HB3 PRO 3 1HB PRO 3 3.181 4.978 -8.975
18 HG2 PRO 3 2HG PRO 3 5.884 6.016 -8.219
19 HG3 PRO 3 1HG PRO 3 4.814 6.534 -9.535
20 HD2 PRO 3 2HD PRO 3 5.025 7.861 -7.162
21 HD3 PRO 3 1HD PRO 3 3.554 7.862 -8.152
22 H VAL 4 H VAL 4 3.817 5.156 -4.363
23 HA VAL 4 HA VAL 4 6.378 3.962 -4.062
24 HB VAL 4 HB VAL 4 5.433 5.628 -2.500
25 HG11 VAL 4 1HG1 VAL 4 3.156 4.865 -2.350
26 HG12 VAL 4 2HG1 VAL 4 3.882 4.920 -0.743
27 HG13 VAL 4 3HG1 VAL 4 3.683 3.374 -1.568
28 HG21 VAL 4 3HG2 VAL 4 6.229 4.530 -0.414
29 HG22 VAL 4 1HG2 VAL 4 7.333 4.367 -1.781
30 HG23 VAL 4 2HG2 VAL 4 6.310 3.010 -1.308
31 H CYS 5 H CYS 5 3.118 2.841 -3.815
32 HA CYS 5 HA CYS 5 4.074 0.079 -3.738
33 HB2 CYS 5 2HB CYS 5 1.816 1.116 -2.019
34 HB3 CYS 5 1HB CYS 5 2.361 -0.553 -2.110
35 H GLY 6 H GLY 6 1.135 2.031 -3.937
36 HA2 GLY 6 2HA GLY 6 -0.389 2.173 -5.691
37 HA3 GLY 6 1HA GLY 6 0.511 0.923 -6.533
38 H GLU 7 H GLU 7 0.427 -1.042 -4.479
39 HA GLU 7 HA GLU 7 -1.882 -2.428 -5.094
40 HB2 GLU 7 2HB GLU 7 -0.539 -2.762 -2.429
41 HB3 GLU 7 1HB GLU 7 -1.262 -3.991 -3.457
42 HG2 GLU 7 2HG GLU 7 0.565 -3.728 -5.055
43 HG3 GLU 7 1HG GLU 7 1.291 -2.500 -4.017
44 H THR 8 H THR 8 -3.929 -2.487 -4.321
45 HA THR 8 HA THR 8 -4.695 -0.442 -2.424
46 HB THR 8 HB THR 8 -7.028 -1.427 -2.983
47 HG1 THR 8 1HG THR 8 -6.522 -2.220 -5.397
48 HG21 THR 8 3HG2 THR 8 -5.496 -0.110 -5.221
49 HG22 THR 8 1HG2 THR 8 -6.063 0.748 -3.789
50 HG23 THR 8 2HG2 THR 8 -7.224 0.006 -4.889
51 H CYS 9 H CYS 9 -5.120 -0.814 -0.352
52 HA CYS 9 HA CYS 9 -5.015 -3.549 0.651
53 HB2 CYS 9 2HB CYS 9 -3.715 -1.642 1.701
54 HB3 CYS 9 1HB CYS 9 -5.264 -1.028 2.269
55 H VAL 10 H VAL 10 -7.273 -2.934 -0.847
56 HA VAL 10 HA VAL 10 -9.457 -2.062 0.663
57 HB VAL 10 HB VAL 10 -9.563 -2.159 -1.766
58 HG11 VAL 10 1HG1 VAL 10 -10.188 -4.809 -2.368
59 HG12 VAL 10 2HG1 VAL 10 -8.741 -4.888 -1.362
60 HG13 VAL 10 3HG1 VAL 10 -8.740 -3.918 -2.836
61 HG21 VAL 10 3HG2 VAL 10 -11.589 -3.402 -0.053
62 HG22 VAL 10 1HG2 VAL 10 -11.759 -3.762 -1.771
63 HG23 VAL 10 2HG2 VAL 10 -11.736 -2.088 -1.219
64 H GLY 11 H GLY 11 -8.012 -5.226 0.308
65 HA2 GLY 11 2HA GLY 11 -10.077 -6.416 2.012
66 HA3 GLY 11 1HA GLY 11 -8.848 -7.295 1.115
67 H GLY 12 H GLY 12 -7.934 -4.514 2.972
68 HA2 GLY 12 2HA GLY 12 -6.627 -4.268 4.839
69 HA3 GLY 12 1HA GLY 12 -7.464 -5.676 5.472
70 H THR 13 H THR 13 -5.320 -5.466 2.654
71 HA THR 13 HA THR 13 -3.212 -6.830 4.079
72 HB THR 13 HB THR 13 -4.626 -8.682 3.390
73 HG1 THR 13 1HG THR 13 -2.452 -8.777 1.600
74 HG21 THR 13 3HG2 THR 13 -5.803 -7.844 1.507
75 HG22 THR 13 1HG2 THR 13 -4.817 -9.184 0.921
76 HG23 THR 13 2HG2 THR 13 -4.306 -7.522 0.633
77 H CYS 14 H CYS 14 -1.245 -6.873 2.974
78 HA CYS 14 HA CYS 14 -1.071 -5.273 0.519
79 HB2 CYS 14 2HB CYS 14 0.680 -4.953 2.974
80 HB3 CYS 14 1HB CYS 14 0.976 -4.178 1.421
81 H ASN 15 H ASN 15 0.449 -5.987 -0.930
82 HA ASN 15 HA ASN 15 1.548 -8.627 -0.375
83 HB2 ASN 15 2HB ASN 15 0.385 -8.530 -2.423
84 HB3 ASN 15 1HB ASN 15 1.141 -7.008 -2.878
85 HD21 ASN 15 1HD2 ASN 15 2.715 -7.099 -4.267
86 HD22 ASN 15 2HD2 ASN 15 3.670 -8.499 -4.637
87 H THR 16 H THR 16 2.699 -5.463 -1.539
88 HA THR 16 HA THR 16 5.427 -6.264 -1.634
89 HB THR 16 HB THR 16 4.247 -3.480 -1.532
90 HG1 THR 16 1HG THR 16 3.617 -4.824 -3.355
91 HG21 THR 16 3HG2 THR 16 6.910 -4.242 -1.228
92 HG22 THR 16 1HG2 THR 16 6.315 -2.638 -1.658
93 HG23 THR 16 2HG2 THR 16 6.770 -3.779 -2.923
94 HA PRO 17 HA PRO 17 6.155 -6.168 2.779
95 HB2 PRO 17 2HB PRO 17 8.963 -6.471 1.904
96 HB3 PRO 17 1HB PRO 17 8.006 -7.500 2.974
97 HG2 PRO 17 2HG PRO 17 8.643 -8.278 0.490
98 HG3 PRO 17 1HG PRO 17 7.082 -8.691 1.224
99 HD2 PRO 17 2HD PRO 17 7.731 -6.579 -0.795
100 HD3 PRO 17 1HD PRO 17 6.318 -7.651 -0.699
101 H GLY 18 H GLY 18 6.335 -4.381 3.915
102 HA2 GLY 18 2HA GLY 18 7.757 -2.551 4.667
103 HA3 GLY 18 1HA GLY 18 8.212 -2.307 2.983
104 H CYS 19 H CYS 19 5.261 -2.939 2.348
105 HA CYS 19 HA CYS 19 4.431 -0.154 2.524
106 HB2 CYS 19 2HB CYS 19 3.213 -2.538 1.118
107 HB3 CYS 19 1HB CYS 19 2.517 -0.921 1.090
108 H THR 20 H THR 20 3.117 0.610 3.987
109 HA THR 20 HA THR 20 1.854 -1.179 5.897
110 HB THR 20 HB THR 20 1.661 1.817 5.966
111 HG1 THR 20 1HG THR 20 3.953 0.253 6.176
112 HG21 THR 20 3HG2 THR 20 2.315 0.408 8.419
113 HG22 THR 20 1HG2 THR 20 0.847 -0.219 7.671
114 HG23 THR 20 2HG2 THR 20 0.969 1.494 8.069
115 H CYS 21 H CYS 21 -0.387 -1.233 6.255
116 HA CYS 21 HA CYS 21 -1.968 -0.666 3.939
117 HB2 CYS 21 2HB CYS 21 -2.393 -2.679 5.261
118 HB3 CYS 21 1HB CYS 21 -2.805 -1.688 6.657
119 H SER 22 H SER 22 -3.113 1.062 3.512
120 HA SER 22 HA SER 22 -4.056 2.785 5.676
121 HB2 SER 22 2HB SER 22 -2.627 3.783 3.188
122 HB3 SER 22 1HB SER 22 -3.368 4.798 4.427
123 HG SER 22 HG SER 22 -1.728 3.098 5.635
124 H TRP 23 H TRP 23 -5.796 1.318 5.036
125 HA TRP 23 HA TRP 23 -7.133 0.828 2.852
126 HB2 TRP 23 2HB TRP 23 -7.838 0.543 5.335
127 HB3 TRP 23 1HB TRP 23 -8.754 2.023 5.069
128 HD1 TRP 23 HD TRP 23 -8.565 -1.620 3.840
129 HE1 TRP 23 1HE TRP 23 -10.843 -2.266 2.835
130 HE3 TRP 23 3HE TRP 23 -10.857 2.941 4.064
131 HZ2 TRP 23 2HZ TRP 23 -13.293 -0.998 2.218
132 HZ3 TRP 23 3HZ TRP 23 -13.169 3.142 3.245
133 HH2 TRP 23 HH TRP 23 -14.359 1.211 2.340
134 HA PRO 24 HA PRO 24 -8.223 0.577 1.538
135 HB2 PRO 24 2HB PRO 24 -9.182 0.905 -0.922
136 HB3 PRO 24 1HB PRO 24 -10.205 1.151 0.497
137 HG2 PRO 24 2HG PRO 24 -9.031 3.145 -1.351
138 HG3 PRO 24 1HG PRO 24 -10.499 3.251 -0.367
139 HD2 PRO 24 2HD PRO 24 -7.889 4.298 0.225
140 HD3 PRO 24 1HD PRO 24 -9.357 4.396 1.217
141 H VAL 25 H VAL 25 -5.697 2.282 1.285
142 HA VAL 25 HA VAL 25 -4.590 0.792 -0.997
143 HB VAL 25 HB VAL 25 -3.219 2.801 -1.645
144 HG11 VAL 25 1HG1 VAL 25 -5.496 3.984 -2.534
145 HG12 VAL 25 2HG1 VAL 25 -6.076 2.367 -2.134
146 HG13 VAL 25 3HG1 VAL 25 -4.744 2.569 -3.271
147 HG21 VAL 25 3HG2 VAL 25 -3.325 4.686 -0.477
148 HG22 VAL 25 1HG2 VAL 25 -4.448 3.911 0.640
149 HG23 VAL 25 2HG2 VAL 25 -5.062 4.793 -0.760
150 H CYS 26 H CYS 26 -2.501 0.139 -0.838
151 HA CYS 26 HA CYS 26 -1.285 0.283 1.789
152 HB2 CYS 26 2HB CYS 26 -0.457 -1.171 -0.733
153 HB3 CYS 26 1HB CYS 26 0.400 -1.276 0.801
154 H THR 27 H THR 27 0.506 1.455 2.313
155 HA THR 27 HA THR 27 2.144 2.614 0.232
156 HB THR 27 HB THR 27 0.501 4.347 0.367
157 HG1 THR 27 1HG THR 27 2.009 5.962 1.624
158 HG21 THR 27 3HG2 THR 27 0.882 4.126 3.335
159 HG22 THR 27 1HG2 THR 27 -0.616 4.034 2.409
160 HG23 THR 27 2HG2 THR 27 0.215 5.579 2.593
161 H ARG 28 H ARG 28 4.153 3.245 0.952
162 HA ARG 28 HA ARG 28 4.987 1.964 3.394
163 HB2 ARG 28 2HB ARG 28 6.385 1.815 1.372
164 HB3 ARG 28 1HB ARG 28 6.588 3.562 1.383
165 HG2 ARG 28 2HG ARG 28 7.606 3.289 3.687
166 HG3 ARG 28 1HG ARG 28 7.651 1.559 3.347
167 HD2 ARG 28 2HD ARG 28 9.784 2.664 2.834
168 HD3 ARG 28 1HD ARG 28 9.046 1.942 1.407
169 HE ARG 28 HE ARG 28 9.090 4.005 0.472
170 HH11 ARG 28 1HH1 ARG 28 8.855 4.467 3.945
171 HH12 ARG 28 2HH1 ARG 28 8.884 6.193 3.842
172 HH21 ARG 28 1HH2 ARG 28 9.137 6.288 0.345
173 HH22 ARG 28 2HH2 ARG 28 9.049 7.230 1.796
174 H ASN 29 H ASN 29 4.601 2.991 5.232
175 HA ASN 29 HA ASN 29 4.444 5.846 5.340
176 HB2 ASN 29 2HB ASN 29 3.003 4.348 6.720
177 HB3 ASN 29 1HB ASN 29 4.431 3.865 7.630
178 HD21 ASN 29 1HD2 ASN 29 1.819 5.794 7.707
179 HD22 ASN 29 2HD2 ASN 29 2.386 7.031 8.771
Start of MODEL 3
1 H1 GLY 1 H GLY 1 9.231 10.409 0.044
2 HA2 GLY 1 2HA GLY 1 10.489 8.095 0.675
3 HA3 GLY 1 1HA GLY 1 8.787 7.675 0.819
4 H LEU 2 H LEU 2 8.448 6.409 -0.915
5 HA LEU 2 HA LEU 2 8.610 7.663 -3.526
6 HB2 LEU 2 2HB LEU 2 10.210 5.283 -2.711
7 HB3 LEU 2 1HB LEU 2 9.545 5.322 -4.333
8 HG LEU 2 HG LEU 2 11.256 7.537 -3.227
9 HD11 LEU 2 1HD1 LEU 2 12.195 5.027 -3.544
10 HD12 LEU 2 2HD1 LEU 2 13.160 6.479 -3.811
11 HD13 LEU 2 3HD1 LEU 2 12.409 5.657 -5.178
12 HD21 LEU 2 3HD2 LEU 2 10.215 8.421 -5.063
13 HD22 LEU 2 1HD2 LEU 2 10.068 6.860 -5.869
14 HD23 LEU 2 2HD2 LEU 2 11.626 7.685 -5.822
15 HA PRO 3 HA PRO 3 4.723 5.575 -3.818
16 HB2 PRO 3 2HB PRO 3 4.180 6.173 -6.389
17 HB3 PRO 3 1HB PRO 3 4.138 7.394 -5.112
18 HG2 PRO 3 2HG PRO 3 6.297 6.813 -7.104
19 HG3 PRO 3 1HG PRO 3 5.656 8.380 -6.577
20 HD2 PRO 3 2HD PRO 3 7.974 7.315 -5.610
21 HD3 PRO 3 1HD PRO 3 6.933 8.397 -4.666
22 H VAL 4 H VAL 4 6.724 3.720 -3.832
23 HA VAL 4 HA VAL 4 6.903 2.249 -6.267
24 HB VAL 4 HB VAL 4 7.443 1.285 -3.453
25 HG11 VAL 4 1HG1 VAL 4 8.526 -0.551 -4.337
26 HG12 VAL 4 2HG1 VAL 4 8.776 0.217 -5.904
27 HG13 VAL 4 3HG1 VAL 4 7.174 -0.365 -5.453
28 HG21 VAL 4 3HG2 VAL 4 9.633 2.042 -3.625
29 HG22 VAL 4 1HG2 VAL 4 8.704 3.360 -4.336
30 HG23 VAL 4 2HG2 VAL 4 9.544 2.211 -5.378
31 H CYS 5 H CYS 5 5.049 1.885 -3.316
32 HA CYS 5 HA CYS 5 3.549 -0.348 -4.400
33 HB2 CYS 5 2HB CYS 5 3.017 1.026 -1.778
34 HB3 CYS 5 1HB CYS 5 2.636 -0.626 -2.239
35 H GLY 6 H GLY 6 1.194 -0.311 -4.343
36 HA2 GLY 6 2HA GLY 6 -0.291 2.086 -4.141
37 HA3 GLY 6 1HA GLY 6 0.103 1.786 -5.828
38 H GLU 7 H GLU 7 -0.335 -0.866 -3.639
39 HA GLU 7 HA GLU 7 -2.605 -1.761 -5.196
40 HB2 GLU 7 2HB GLU 7 -2.434 -3.832 -3.861
41 HB3 GLU 7 1HB GLU 7 -0.928 -3.418 -4.659
42 HG2 GLU 7 2HG GLU 7 -1.345 -2.546 -1.845
43 HG3 GLU 7 1HG GLU 7 -0.983 -4.239 -2.169
44 H THR 8 H THR 8 -4.655 -2.137 -4.397
45 HA THR 8 HA THR 8 -5.451 -0.375 -2.291
46 HB THR 8 HB THR 8 -7.728 -1.514 -2.765
47 HG1 THR 8 1HG THR 8 -7.420 -2.195 -5.194
48 HG21 THR 8 3HG2 THR 8 -7.145 -0.233 -5.263
49 HG22 THR 8 1HG2 THR 8 -6.329 0.622 -3.952
50 HG23 THR 8 2HG2 THR 8 -8.076 0.376 -3.893
51 H CYS 9 H CYS 9 -5.666 -0.845 -0.238
52 HA CYS 9 HA CYS 9 -5.365 -3.607 0.655
53 HB2 CYS 9 2HB CYS 9 -4.016 -1.725 1.651
54 HB3 CYS 9 1HB CYS 9 -5.518 -1.109 2.331
55 H VAL 10 H VAL 10 -7.772 -2.927 -0.627
56 HA VAL 10 HA VAL 10 -9.825 -2.231 1.136
57 HB VAL 10 HB VAL 10 -10.140 -2.139 -1.278
58 HG11 VAL 10 1HG1 VAL 10 -9.628 -3.798 -2.655
59 HG12 VAL 10 2HG1 VAL 10 -10.736 -4.891 -1.825
60 HG13 VAL 10 3HG1 VAL 10 -9.072 -4.725 -1.263
61 HG21 VAL 10 3HG2 VAL 10 -12.382 -2.986 -1.403
62 HG22 VAL 10 1HG2 VAL 10 -12.100 -2.372 0.226
63 HG23 VAL 10 2HG2 VAL 10 -12.078 -4.109 -0.078
64 H GLY 11 H GLY 11 -8.336 -5.304 0.408
65 HA2 GLY 11 2HA GLY 11 -10.222 -6.706 2.154
66 HA3 GLY 11 1HA GLY 11 -9.027 -7.460 1.109
67 H GLY 12 H GLY 12 -8.019 -4.796 3.062
68 HA2 GLY 12 2HA GLY 12 -6.598 -4.640 4.851
69 HA3 GLY 12 1HA GLY 12 -7.367 -6.098 5.452
70 H THR 13 H THR 13 -5.344 -5.576 2.569
71 HA THR 13 HA THR 13 -3.188 -7.083 3.764
72 HB THR 13 HB THR 13 -4.611 -8.846 2.873
73 HG1 THR 13 1HG THR 13 -2.624 -8.950 0.973
74 HG21 THR 13 3HG2 THR 13 -5.818 -7.775 1.126
75 HG22 THR 13 1HG2 THR 13 -4.849 -9.040 0.370
76 HG23 THR 13 2HG2 THR 13 -4.333 -7.357 0.273
77 H CYS 14 H CYS 14 -1.245 -6.962 2.614
78 HA CYS 14 HA CYS 14 -1.156 -5.019 0.409
79 HB2 CYS 14 2HB CYS 14 0.621 -5.066 2.857
80 HB3 CYS 14 1HB CYS 14 0.971 -4.123 1.410
81 H ASN 15 H ASN 15 0.307 -5.467 -1.187
82 HA ASN 15 HA ASN 15 1.403 -8.156 -1.157
83 HB2 ASN 15 2HB ASN 15 0.155 -7.450 -3.121
84 HB3 ASN 15 1HB ASN 15 1.238 -6.081 -3.351
85 HD21 ASN 15 1HD2 ASN 15 2.834 -6.346 -4.734
86 HD22 ASN 15 2HD2 ASN 15 3.464 -7.860 -5.275
87 H THR 16 H THR 16 2.589 -4.852 -1.739
88 HA THR 16 HA THR 16 5.309 -5.701 -1.968
89 HB THR 16 HB THR 16 4.495 -2.868 -1.416
90 HG1 THR 16 1HG THR 16 3.041 -3.472 -2.996
91 HG21 THR 16 3HG2 THR 16 6.911 -3.978 -1.921
92 HG22 THR 16 1HG2 THR 16 6.483 -2.326 -2.364
93 HG23 THR 16 2HG2 THR 16 6.380 -3.616 -3.562
94 HA PRO 17 HA PRO 17 5.998 -6.025 2.454
95 HB2 PRO 17 2HB PRO 17 8.684 -6.580 2.169
96 HB3 PRO 17 1HB PRO 17 7.402 -7.795 2.098
97 HG2 PRO 17 2HG PRO 17 8.850 -6.432 -0.131
98 HG3 PRO 17 1HG PRO 17 8.336 -8.123 0.005
99 HD2 PRO 17 2HD PRO 17 6.981 -6.343 -1.489
100 HD3 PRO 17 1HD PRO 17 6.157 -7.642 -0.603
101 H GLY 18 H GLY 18 6.470 -4.479 3.830
102 HA2 GLY 18 2HA GLY 18 7.980 -2.793 4.674
103 HA3 GLY 18 1HA GLY 18 8.379 -2.395 3.005
104 H CYS 19 H CYS 19 5.513 -2.662 2.209
105 HA CYS 19 HA CYS 19 4.767 0.037 3.043
106 HB2 CYS 19 2HB CYS 19 3.945 -1.750 0.787
107 HB3 CYS 19 1HB CYS 19 2.875 -0.440 1.285
108 H THR 20 H THR 20 3.226 0.482 4.441
109 HA THR 20 HA THR 20 1.829 -1.738 5.686
110 HB THR 20 HB THR 20 2.952 -0.118 7.142
111 HG1 THR 20 1HG THR 20 1.170 0.197 8.544
112 HG21 THR 20 3HG2 THR 20 1.424 1.795 5.543
113 HG22 THR 20 1HG2 THR 20 2.905 2.025 6.471
114 HG23 THR 20 2HG2 THR 20 1.340 2.086 7.281
115 H CYS 21 H CYS 21 -0.424 -1.505 6.251
116 HA CYS 21 HA CYS 21 -1.961 -0.771 3.933
117 HB2 CYS 21 2HB CYS 21 -2.468 -2.844 5.100
118 HB3 CYS 21 1HB CYS 21 -2.800 -1.955 6.582
119 H SER 22 H SER 22 -3.178 0.956 3.644
120 HA SER 22 HA SER 22 -3.976 2.598 5.924
121 HB2 SER 22 2HB SER 22 -2.650 3.692 3.419
122 HB3 SER 22 1HB SER 22 -3.317 4.657 4.737
123 HG SER 22 HG SER 22 -1.654 2.887 5.796
124 H TRP 23 H TRP 23 -5.770 1.187 5.304
125 HA TRP 23 HA TRP 23 -7.222 0.795 3.185
126 HB2 TRP 23 2HB TRP 23 -7.814 0.502 5.715
127 HB3 TRP 23 1HB TRP 23 -8.748 1.975 5.470
128 HD1 TRP 23 HD TRP 23 -8.549 -1.656 4.187
129 HE1 TRP 23 1HE TRP 23 -10.863 -2.328 3.284
130 HE3 TRP 23 3HE TRP 23 -10.919 2.852 4.617
131 HZ2 TRP 23 2HZ TRP 23 -13.362 -1.101 2.809
132 HZ3 TRP 23 3HZ TRP 23 -13.272 3.019 3.914
133 HH2 TRP 23 HH TRP 23 -14.465 1.082 3.028
134 HA PRO 24 HA PRO 24 -8.389 0.596 1.920
135 HB2 PRO 24 2HB PRO 24 -9.438 1.001 -0.493
136 HB3 PRO 24 1HB PRO 24 -10.394 1.245 0.972
137 HG2 PRO 24 2HG PRO 24 -9.234 3.246 -0.879
138 HG3 PRO 24 1HG PRO 24 -10.665 3.367 0.156
139 HD2 PRO 24 2HD PRO 24 -8.019 4.345 0.679
140 HD3 PRO 24 1HD PRO 24 -9.446 4.441 1.731
141 H VAL 25 H VAL 25 -5.828 2.235 1.593
142 HA VAL 25 HA VAL 25 -4.819 0.708 -0.704
143 HB VAL 25 HB VAL 25 -3.476 2.714 -1.459
144 HG11 VAL 25 1HG1 VAL 25 -5.794 3.817 -2.354
145 HG12 VAL 25 2HG1 VAL 25 -6.331 2.204 -1.883
146 HG13 VAL 25 3HG1 VAL 25 -5.022 2.392 -3.050
147 HG21 VAL 25 3HG2 VAL 25 -5.553 4.446 -0.202
148 HG22 VAL 25 1HG2 VAL 25 -3.921 4.848 -0.740
149 HG23 VAL 25 2HG2 VAL 25 -4.160 3.944 0.755
150 H CYS 26 H CYS 26 -2.676 0.125 -0.621
151 HA CYS 26 HA CYS 26 -1.411 0.339 1.981
152 HB2 CYS 26 2HB CYS 26 -0.549 -1.077 -0.552
153 HB3 CYS 26 1HB CYS 26 0.293 -1.175 0.992
154 H THR 27 H THR 27 0.552 1.402 2.405
155 HA THR 27 HA THR 27 1.842 2.821 0.226
156 HB THR 27 HB THR 27 0.084 4.389 0.912
157 HG1 THR 27 1HG THR 27 1.456 5.972 0.630
158 HG21 THR 27 3HG2 THR 27 -0.463 4.762 3.040
159 HG22 THR 27 1HG2 THR 27 1.194 5.224 3.428
160 HG23 THR 27 2HG2 THR 27 0.709 3.531 3.507
161 H ARG 28 H ARG 28 3.834 3.823 0.841
162 HA ARG 28 HA ARG 28 5.269 2.199 2.742
163 HB2 ARG 28 2HB ARG 28 6.153 2.880 0.474
164 HB3 ARG 28 1HB ARG 28 6.347 4.504 1.118
165 HG2 ARG 28 2HG ARG 28 8.447 3.293 1.178
166 HG3 ARG 28 1HG ARG 28 7.888 3.652 2.813
167 HD2 ARG 28 2HD ARG 28 6.882 1.334 2.841
168 HD3 ARG 28 1HD ARG 28 7.771 1.024 1.351
169 HE ARG 28 HE ARG 28 9.654 0.747 2.591
170 HH11 ARG 28 1HH1 ARG 28 7.338 2.524 4.528
171 HH12 ARG 28 2HH1 ARG 28 8.334 2.541 5.942
172 HH21 ARG 28 1HH2 ARG 28 10.979 0.773 4.461
173 HH22 ARG 28 2HH2 ARG 28 10.411 1.545 5.902
174 H ASN 29 H ASN 29 3.526 3.481 4.250
175 HA ASN 29 HA ASN 29 4.441 6.009 5.230
176 HB2 ASN 29 2HB ASN 29 2.075 5.264 5.392
177 HB3 ASN 29 1HB ASN 29 2.567 4.026 6.542
178 HD21 ASN 29 1HD2 ASN 29 1.190 6.951 6.311
179 HD22 ASN 29 2HD2 ASN 29 1.592 7.602 7.860
Start of MODEL 4
1 H1 GLY 1 H GLY 1 5.440 6.734 4.049
2 HA2 GLY 1 2HA GLY 1 3.603 8.149 3.813
3 HA3 GLY 1 1HA GLY 1 4.690 9.470 3.405
4 H LEU 2 H LEU 2 6.103 8.172 1.348
5 HA LEU 2 HA LEU 2 4.423 8.709 -0.855
6 HB2 LEU 2 2HB LEU 2 6.851 9.022 -0.912
7 HB3 LEU 2 1HB LEU 2 7.088 7.295 -0.741
8 HG LEU 2 HG LEU 2 5.921 6.986 -2.938
9 HD11 LEU 2 1HD1 LEU 2 5.271 9.691 -2.571
10 HD12 LEU 2 2HD1 LEU 2 4.907 8.669 -3.961
11 HD13 LEU 2 3HD1 LEU 2 6.386 9.630 -3.936
12 HD21 LEU 2 3HD2 LEU 2 8.058 6.795 -3.529
13 HD22 LEU 2 1HD2 LEU 2 8.552 8.076 -2.423
14 HD23 LEU 2 2HD2 LEU 2 7.979 8.481 -4.041
15 HA PRO 3 HA PRO 3 2.559 4.622 -0.998
16 HB2 PRO 3 2HB PRO 3 0.913 5.625 -3.154
17 HB3 PRO 3 1HB PRO 3 0.441 5.243 -1.497
18 HG2 PRO 3 2HG PRO 3 0.489 7.780 -2.514
19 HG3 PRO 3 1HG PRO 3 0.690 7.401 -0.794
20 HD2 PRO 3 2HD PRO 3 2.770 8.044 -2.850
21 HD3 PRO 3 1HD PRO 3 2.659 8.562 -1.154
22 H VAL 4 H VAL 4 4.942 4.536 -2.095
23 HA VAL 4 HA VAL 4 5.250 4.448 -4.847
24 HB VAL 4 HB VAL 4 7.104 4.340 -3.248
25 HG11 VAL 4 1HG1 VAL 4 6.617 2.919 -1.536
26 HG12 VAL 4 2HG1 VAL 4 7.683 1.901 -2.503
27 HG13 VAL 4 3HG1 VAL 4 5.934 1.691 -2.601
28 HG21 VAL 4 3HG2 VAL 4 8.125 2.131 -4.505
29 HG22 VAL 4 1HG2 VAL 4 8.124 3.773 -5.150
30 HG23 VAL 4 2HG2 VAL 4 6.844 2.649 -5.601
31 H CYS 5 H CYS 5 4.119 1.986 -2.668
32 HA CYS 5 HA CYS 5 3.979 -0.147 -4.510
33 HB2 CYS 5 2HB CYS 5 2.337 0.313 -2.017
34 HB3 CYS 5 1HB CYS 5 2.540 -1.223 -2.848
35 H GLY 6 H GLY 6 1.495 2.009 -3.265
36 HA2 GLY 6 2HA GLY 6 -0.432 2.838 -4.203
37 HA3 GLY 6 1HA GLY 6 0.164 2.276 -5.756
38 H GLU 7 H GLU 7 0.070 -0.220 -3.501
39 HA GLU 7 HA GLU 7 -2.029 -1.551 -4.898
40 HB2 GLU 7 2HB GLU 7 -0.650 -2.304 -2.324
41 HB3 GLU 7 1HB GLU 7 -1.706 -3.351 -3.253
42 HG2 GLU 7 2HG GLU 7 -0.125 -3.215 -5.139
43 HG3 GLU 7 1HG GLU 7 0.958 -2.262 -4.123
44 H THR 8 H THR 8 -4.101 -1.902 -4.291
45 HA THR 8 HA THR 8 -5.187 -0.152 -2.282
46 HB THR 8 HB THR 8 -7.358 -1.284 -3.013
47 HG1 THR 8 1HG THR 8 -6.178 -3.103 -3.991
48 HG21 THR 8 3HG2 THR 8 -5.622 0.407 -4.773
49 HG22 THR 8 1HG2 THR 8 -7.047 0.870 -3.843
50 HG23 THR 8 2HG2 THR 8 -7.226 -0.088 -5.313
51 H CYS 9 H CYS 9 -5.564 -0.716 -0.254
52 HA CYS 9 HA CYS 9 -5.153 -3.468 0.578
53 HB2 CYS 9 2HB CYS 9 -4.180 -1.507 1.808
54 HB3 CYS 9 1HB CYS 9 -5.821 -1.102 2.298
55 H VAL 10 H VAL 10 -7.321 -3.526 -0.894
56 HA VAL 10 HA VAL 10 -9.706 -3.032 0.627
57 HB VAL 10 HB VAL 10 -9.576 -4.717 -1.872
58 HG11 VAL 10 1HG1 VAL 10 -11.833 -3.563 -2.208
59 HG12 VAL 10 2HG1 VAL 10 -11.703 -3.087 -0.514
60 HG13 VAL 10 3HG1 VAL 10 -11.731 -4.796 -0.950
61 HG21 VAL 10 3HG2 VAL 10 -9.596 -1.709 -1.671
62 HG22 VAL 10 1HG2 VAL 10 -9.959 -2.612 -3.141
63 HG23 VAL 10 2HG2 VAL 10 -8.357 -2.722 -2.412
64 H GLY 11 H GLY 11 -8.183 -4.565 2.199
65 HA2 GLY 11 2HA GLY 11 -9.793 -6.622 3.040
66 HA3 GLY 11 1HA GLY 11 -8.677 -7.370 1.908
67 H GLY 12 H GLY 12 -7.673 -4.664 3.874
68 HA2 GLY 12 2HA GLY 12 -6.064 -4.471 5.490
69 HA3 GLY 12 1HA GLY 12 -6.772 -5.930 6.164
70 H THR 13 H THR 13 -5.015 -5.470 3.099
71 HA THR 13 HA THR 13 -2.742 -6.914 4.151
72 HB THR 13 HB THR 13 -4.252 -8.713 3.478
73 HG1 THR 13 1HG THR 13 -2.447 -8.987 1.441
74 HG21 THR 13 3HG2 THR 13 -5.448 -8.729 1.593
75 HG22 THR 13 1HG2 THR 13 -4.033 -8.353 0.609
76 HG23 THR 13 2HG2 THR 13 -4.947 -7.052 1.372
77 H CYS 14 H CYS 14 -0.931 -6.889 2.802
78 HA CYS 14 HA CYS 14 -0.996 -5.223 0.403
79 HB2 CYS 14 2HB CYS 14 0.918 -4.720 2.700
80 HB3 CYS 14 1HB CYS 14 0.897 -3.866 1.162
81 H ASN 15 H ASN 15 0.390 -6.006 -1.134
82 HA ASN 15 HA ASN 15 1.746 -8.481 -0.515
83 HB2 ASN 15 2HB ASN 15 1.628 -6.993 -3.142
84 HB3 ASN 15 1HB ASN 15 2.145 -8.657 -2.905
85 HD21 ASN 15 1HD2 ASN 15 -0.307 -6.771 -3.899
86 HD22 ASN 15 2HD2 ASN 15 -1.638 -7.862 -3.653
87 H THR 16 H THR 16 2.666 -5.252 -1.669
88 HA THR 16 HA THR 16 5.432 -5.861 -1.877
89 HB THR 16 HB THR 16 4.337 -3.089 -1.463
90 HG1 THR 16 1HG THR 16 3.067 -4.148 -3.072
91 HG21 THR 16 3HG2 THR 16 6.301 -3.413 -3.533
92 HG22 THR 16 1HG2 THR 16 6.887 -4.143 -2.038
93 HG23 THR 16 2HG2 THR 16 6.392 -2.451 -2.058
94 HA PRO 17 HA PRO 17 6.279 -5.900 2.524
95 HB2 PRO 17 2HB PRO 17 9.063 -6.083 1.530
96 HB3 PRO 17 1HB PRO 17 8.191 -7.159 2.626
97 HG2 PRO 17 2HG PRO 17 8.733 -7.885 0.109
98 HG3 PRO 17 1HG PRO 17 7.214 -8.347 0.898
99 HD2 PRO 17 2HD PRO 17 7.728 -6.191 -1.112
100 HD3 PRO 17 1HD PRO 17 6.347 -7.299 -0.975
101 H GLY 18 H GLY 18 6.566 -4.224 3.787
102 HA2 GLY 18 2HA GLY 18 7.948 -2.365 4.516
103 HA3 GLY 18 1HA GLY 18 8.238 -2.002 2.816
104 H CYS 19 H CYS 19 5.369 -2.625 2.186
105 HA CYS 19 HA CYS 19 4.401 0.037 2.882
106 HB2 CYS 19 2HB CYS 19 3.699 -1.954 0.796
107 HB3 CYS 19 1HB CYS 19 2.416 -0.881 1.352
108 H THR 20 H THR 20 3.006 0.459 4.366
109 HA THR 20 HA THR 20 1.741 -1.712 5.849
110 HB THR 20 HB THR 20 1.544 1.190 6.593
111 HG1 THR 20 1HG THR 20 3.854 -0.413 6.557
112 HG21 THR 20 3HG2 THR 20 0.396 -0.063 8.150
113 HG22 THR 20 1HG2 THR 20 2.004 -0.039 8.878
114 HG23 THR 20 2HG2 THR 20 1.465 -1.455 7.976
115 H CYS 21 H CYS 21 -0.527 -1.770 6.177
116 HA CYS 21 HA CYS 21 -2.051 -0.812 3.974
117 HB2 CYS 21 2HB CYS 21 -2.634 -2.928 4.990
118 HB3 CYS 21 1HB CYS 21 -2.913 -2.148 6.544
119 H SER 22 H SER 22 -2.733 1.175 3.738
120 HA SER 22 HA SER 22 -3.707 2.645 6.089
121 HB2 SER 22 2HB SER 22 -2.293 3.818 3.670
122 HB3 SER 22 1HB SER 22 -2.906 4.722 5.056
123 HG SER 22 HG SER 22 -1.409 2.988 6.167
124 H TRP 23 H TRP 23 -5.475 1.258 5.254
125 HA TRP 23 HA TRP 23 -6.884 1.080 3.096
126 HB2 TRP 23 2HB TRP 23 -7.567 0.532 5.517
127 HB3 TRP 23 1HB TRP 23 -8.380 2.092 5.491
128 HD1 TRP 23 HD TRP 23 -8.501 -1.357 3.785
129 HE1 TRP 23 1HE TRP 23 -10.853 -1.689 2.795
130 HE3 TRP 23 3HE TRP 23 -10.418 3.289 4.680
131 HZ2 TRP 23 2HZ TRP 23 -13.209 -0.177 2.437
132 HZ3 TRP 23 3HZ TRP 23 -12.729 3.770 3.984
133 HH2 TRP 23 HH TRP 23 -14.095 2.071 2.883
134 HA PRO 24 HA PRO 24 -8.048 1.000 1.811
135 HB2 PRO 24 2HB PRO 24 -8.944 1.593 -0.627
136 HB3 PRO 24 1HB PRO 24 -9.976 1.760 0.798
137 HG2 PRO 24 2HG PRO 24 -8.654 3.854 -0.833
138 HG3 PRO 24 1HG PRO 24 -10.155 3.936 0.101
139 HD2 PRO 24 2HD PRO 24 -7.561 4.841 0.882
140 HD3 PRO 24 1HD PRO 24 -9.045 4.839 1.854
141 H VAL 25 H VAL 25 -5.460 2.728 1.650
142 HA VAL 25 HA VAL 25 -4.381 1.281 -0.678
143 HB VAL 25 HB VAL 25 -2.942 3.276 -1.221
144 HG11 VAL 25 1HG1 VAL 25 -4.938 4.550 -2.277
145 HG12 VAL 25 2HG1 VAL 25 -5.902 3.224 -1.627
146 HG13 VAL 25 3HG1 VAL 25 -4.607 2.892 -2.777
147 HG21 VAL 25 3HG2 VAL 25 -3.494 5.433 -0.436
148 HG22 VAL 25 1HG2 VAL 25 -3.420 4.407 0.997
149 HG23 VAL 25 2HG2 VAL 25 -4.983 4.860 0.319
150 H CYS 26 H CYS 26 -2.353 0.504 -0.514
151 HA CYS 26 HA CYS 26 -1.156 0.473 2.118
152 HB2 CYS 26 2HB CYS 26 -0.344 -0.869 -0.469
153 HB3 CYS 26 1HB CYS 26 0.450 -1.121 1.081
154 H THR 27 H THR 27 0.542 1.651 2.769
155 HA THR 27 HA THR 27 2.418 2.736 0.852
156 HB THR 27 HB THR 27 0.738 4.510 0.886
157 HG1 THR 27 1HG THR 27 2.177 6.204 1.511
158 HG21 THR 27 3HG2 THR 27 -0.400 5.002 2.734
159 HG22 THR 27 1HG2 THR 27 1.080 5.620 3.463
160 HG23 THR 27 2HG2 THR 27 0.634 3.929 3.676
161 H ARG 28 H ARG 28 4.280 3.741 1.978
162 HA ARG 28 HA ARG 28 5.034 2.101 4.201
163 HB2 ARG 28 2HB ARG 28 6.618 2.818 2.394
164 HB3 ARG 28 1HB ARG 28 6.524 4.457 3.028
165 HG2 ARG 28 2HG ARG 28 7.312 3.498 5.237
166 HG3 ARG 28 1HG ARG 28 7.684 2.021 4.345
167 HD2 ARG 28 2HD ARG 28 9.672 3.374 4.517
168 HD3 ARG 28 1HD ARG 28 9.133 3.335 2.840
169 HE ARG 28 HE ARG 28 8.942 5.594 2.930
170 HH11 ARG 28 1HH1 ARG 28 8.671 4.387 6.208
171 HH12 ARG 28 2HH1 ARG 28 8.520 5.958 6.916
172 HH21 ARG 28 1HH2 ARG 28 8.752 7.678 3.866
173 HH22 ARG 28 2HH2 ARG 28 8.572 7.836 5.580
174 H ASN 29 H ASN 29 4.072 2.555 6.096
175 HA ASN 29 HA ASN 29 3.445 5.257 6.812
176 HB2 ASN 29 2HB ASN 29 3.172 2.644 8.299
177 HB3 ASN 29 1HB ASN 29 2.755 4.190 9.026
178 HD21 ASN 29 1HD2 ASN 29 2.091 4.505 5.829
179 HD22 ASN 29 2HD2 ASN 29 0.420 4.049 5.833
Start of MODEL 5
1 H1 GLY 1 H GLY 1 9.889 2.195 4.253
2 HA2 GLY 1 2HA GLY 1 9.983 -0.163 2.705
3 HA3 GLY 1 1HA GLY 1 8.306 0.229 3.071
4 H LEU 2 H LEU 2 10.031 0.307 0.555
5 HA LEU 2 HA LEU 2 10.289 3.019 -0.212
6 HB2 LEU 2 2HB LEU 2 10.116 0.472 -1.815
7 HB3 LEU 2 1HB LEU 2 10.321 2.041 -2.564
8 HG LEU 2 HG LEU 2 12.428 2.285 -1.141
9 HD11 LEU 2 1HD1 LEU 2 13.424 0.402 -0.177
10 HD12 LEU 2 2HD1 LEU 2 12.301 -0.708 -0.961
11 HD13 LEU 2 3HD1 LEU 2 11.743 0.330 0.352
12 HD21 LEU 2 3HD2 LEU 2 12.033 0.456 -3.454
13 HD22 LEU 2 1HD2 LEU 2 13.623 0.535 -2.696
14 HD23 LEU 2 2HD2 LEU 2 12.891 1.994 -3.360
15 HA PRO 3 HA PRO 3 5.969 3.860 -0.916
16 HB2 PRO 3 2HB PRO 3 6.252 6.343 -1.938
17 HB3 PRO 3 1HB PRO 3 6.475 5.995 -0.219
18 HG2 PRO 3 2HG PRO 3 8.532 6.342 -2.365
19 HG3 PRO 3 1HG PRO 3 8.530 6.967 -0.705
20 HD2 PRO 3 2HD PRO 3 9.928 4.757 -1.466
21 HD3 PRO 3 1HD PRO 3 9.288 4.984 0.172
22 H VAL 4 H VAL 4 7.040 2.161 -2.799
23 HA VAL 4 HA VAL 4 6.397 3.347 -5.410
24 HB VAL 4 HB VAL 4 7.612 0.632 -4.852
25 HG11 VAL 4 1HG1 VAL 4 6.515 0.881 -7.043
26 HG12 VAL 4 2HG1 VAL 4 8.259 0.655 -7.184
27 HG13 VAL 4 3HG1 VAL 4 7.559 2.260 -7.389
28 HG21 VAL 4 3HG2 VAL 4 9.423 2.575 -5.994
29 HG22 VAL 4 1HG2 VAL 4 9.628 1.534 -4.584
30 HG23 VAL 4 2HG2 VAL 4 8.823 3.095 -4.419
31 H CYS 5 H CYS 5 5.265 1.253 -2.980
32 HA CYS 5 HA CYS 5 3.594 -0.484 -4.407
33 HB2 CYS 5 2HB CYS 5 2.769 0.478 -1.717
34 HB3 CYS 5 1HB CYS 5 2.816 -1.159 -2.357
35 H GLY 6 H GLY 6 1.329 -0.492 -4.623
36 HA2 GLY 6 2HA GLY 6 -0.193 1.915 -4.141
37 HA3 GLY 6 1HA GLY 6 0.124 1.611 -5.845
38 H GLU 7 H GLU 7 -0.248 -0.978 -3.558
39 HA GLU 7 HA GLU 7 -2.523 -1.970 -5.050
40 HB2 GLU 7 2HB GLU 7 -1.355 -3.245 -2.582
41 HB3 GLU 7 1HB GLU 7 -2.254 -4.012 -3.883
42 HG2 GLU 7 2HG GLU 7 -0.148 -4.697 -4.390
43 HG3 GLU 7 1HG GLU 7 -0.218 -3.206 -5.330
44 H THR 8 H THR 8 -4.602 -2.065 -4.339
45 HA THR 8 HA THR 8 -5.350 -0.336 -2.203
46 HB THR 8 HB THR 8 -7.652 -1.301 -2.683
47 HG1 THR 8 1HG THR 8 -6.619 -3.241 -3.707
48 HG21 THR 8 3HG2 THR 8 -6.417 0.756 -3.783
49 HG22 THR 8 1HG2 THR 8 -7.981 0.208 -4.386
50 HG23 THR 8 2HG2 THR 8 -6.501 -0.257 -5.224
51 H CYS 9 H CYS 9 -5.537 -0.840 -0.139
52 HA CYS 9 HA CYS 9 -5.296 -3.611 0.713
53 HB2 CYS 9 2HB CYS 9 -3.979 -1.732 1.764
54 HB3 CYS 9 1HB CYS 9 -5.498 -1.155 2.439
55 H VAL 10 H VAL 10 -7.691 -2.936 -0.592
56 HA VAL 10 HA VAL 10 -9.775 -2.275 1.146
57 HB VAL 10 HB VAL 10 -10.073 -2.154 -1.260
58 HG11 VAL 10 1HG1 VAL 10 -9.269 -3.765 -2.554
59 HG12 VAL 10 2HG1 VAL 10 -10.641 -4.761 -2.070
60 HG13 VAL 10 3HG1 VAL 10 -9.119 -4.869 -1.187
61 HG21 VAL 10 3HG2 VAL 10 -12.215 -2.253 -0.663
62 HG22 VAL 10 1HG2 VAL 10 -11.913 -3.540 0.505
63 HG23 VAL 10 2HG2 VAL 10 -12.181 -3.936 -1.194
64 H GLY 11 H GLY 11 -8.271 -5.341 0.398
65 HA2 GLY 11 2HA GLY 11 -10.155 -6.746 2.150
66 HA3 GLY 11 1HA GLY 11 -9.006 -7.504 1.062
67 H GLY 12 H GLY 12 -7.993 -4.891 3.116
68 HA2 GLY 12 2HA GLY 12 -6.520 -4.799 4.871
69 HA3 GLY 12 1HA GLY 12 -7.257 -6.295 5.418
70 H THR 13 H THR 13 -5.320 -5.617 2.509
71 HA THR 13 HA THR 13 -3.111 -7.139 3.580
72 HB THR 13 HB THR 13 -4.588 -8.864 2.646
73 HG1 THR 13 1HG THR 13 -2.799 -9.842 2.145
74 HG21 THR 13 3HG2 THR 13 -5.378 -8.917 0.497
75 HG22 THR 13 1HG2 THR 13 -4.049 -7.943 -0.129
76 HG23 THR 13 2HG2 THR 13 -5.359 -7.175 0.768
77 H CYS 14 H CYS 14 -1.215 -6.991 2.323
78 HA CYS 14 HA CYS 14 -1.213 -4.923 0.237
79 HB2 CYS 14 2HB CYS 14 0.690 -5.124 2.582
80 HB3 CYS 14 1HB CYS 14 0.952 -4.083 1.187
81 H ASN 15 H ASN 15 0.152 -5.308 -1.459
82 HA ASN 15 HA ASN 15 1.210 -7.994 -1.642
83 HB2 ASN 15 2HB ASN 15 -0.009 -7.132 -3.543
84 HB3 ASN 15 1HB ASN 15 1.060 -5.738 -3.649
85 HD21 ASN 15 1HD2 ASN 15 2.677 -5.858 -5.028
86 HD22 ASN 15 2HD2 ASN 15 3.311 -7.307 -5.718
87 H THR 16 H THR 16 2.517 -4.687 -1.998
88 HA THR 16 HA THR 16 5.206 -5.691 -2.197
89 HB THR 16 HB THR 16 4.425 -2.812 -1.781
90 HG1 THR 16 1HG THR 16 3.342 -3.092 -3.608
91 HG21 THR 16 3HG2 THR 16 6.460 -2.742 -3.487
92 HG22 THR 16 1HG2 THR 16 6.827 -4.294 -2.734
93 HG23 THR 16 2HG2 THR 16 6.720 -2.838 -1.745
94 HA PRO 17 HA PRO 17 5.673 -5.963 2.262
95 HB2 PRO 17 2HB PRO 17 8.401 -6.786 1.477
96 HB3 PRO 17 1HB PRO 17 7.213 -7.643 2.464
97 HG2 PRO 17 2HG PRO 17 7.801 -8.440 -0.028
98 HG3 PRO 17 1HG PRO 17 6.159 -8.571 0.631
99 HD2 PRO 17 2HD PRO 17 7.287 -6.547 -1.265
100 HD3 PRO 17 1HD PRO 17 5.693 -7.333 -1.270
101 H GLY 18 H GLY 18 6.153 -4.341 3.481
102 HA2 GLY 18 2HA GLY 18 8.018 -2.902 4.291
103 HA3 GLY 18 1HA GLY 18 8.254 -2.477 2.596
104 H CYS 19 H CYS 19 5.357 -2.538 2.046
105 HA CYS 19 HA CYS 19 4.839 0.170 3.042
106 HB2 CYS 19 2HB CYS 19 3.655 -1.517 0.860
107 HB3 CYS 19 1HB CYS 19 2.763 -0.130 1.481
108 H THR 20 H THR 20 3.097 0.756 4.274
109 HA THR 20 HA THR 20 1.905 -1.409 5.832
110 HB THR 20 HB THR 20 1.742 1.544 6.418
111 HG1 THR 20 1HG THR 20 3.870 -0.249 6.673
112 HG21 THR 20 3HG2 THR 20 0.984 0.962 8.487
113 HG22 THR 20 1HG2 THR 20 1.918 -0.533 8.528
114 HG23 THR 20 2HG2 THR 20 0.415 -0.457 7.608
115 H CYS 21 H CYS 21 -0.332 -1.514 6.202
116 HA CYS 21 HA CYS 21 -1.926 -0.758 3.959
117 HB2 CYS 21 2HB CYS 21 -2.358 -2.872 5.044
118 HB3 CYS 21 1HB CYS 21 -2.651 -2.069 6.581
119 H SER 22 H SER 22 -3.138 0.968 3.692
120 HA SER 22 HA SER 22 -3.997 2.528 6.016
121 HB2 SER 22 2HB SER 22 -2.855 3.714 3.464
122 HB3 SER 22 1HB SER 22 -3.439 4.613 4.866
123 HG SER 22 HG SER 22 -1.679 2.936 5.804
124 H TRP 23 H TRP 23 -5.732 1.012 5.418
125 HA TRP 23 HA TRP 23 -7.224 0.587 3.334
126 HB2 TRP 23 2HB TRP 23 -7.735 0.177 5.849
127 HB3 TRP 23 1HB TRP 23 -8.710 1.636 5.715
128 HD1 TRP 23 HD TRP 23 -8.512 -1.948 4.333
129 HE1 TRP 23 1HE TRP 23 -10.837 -2.619 3.455
130 HE3 TRP 23 3HE TRP 23 -10.900 2.537 4.878
131 HZ2 TRP 23 2HZ TRP 23 -13.351 -1.400 3.047
132 HZ3 TRP 23 3HZ TRP 23 -13.265 2.702 4.219
133 HH2 TRP 23 HH TRP 23 -14.464 0.773 3.321
134 HA PRO 24 HA PRO 24 -8.389 0.364 2.078
135 HB2 PRO 24 2HB PRO 24 -9.513 0.775 -0.299
136 HB3 PRO 24 1HB PRO 24 -10.448 0.923 1.194
137 HG2 PRO 24 2HG PRO 24 -9.449 3.038 -0.624
138 HG3 PRO 24 1HG PRO 24 -10.858 3.049 0.449
139 HD2 PRO 24 2HD PRO 24 -8.254 4.154 0.936
140 HD3 PRO 24 1HD PRO 24 -9.659 4.149 2.021
141 H VAL 25 H VAL 25 -5.922 2.130 1.758
142 HA VAL 25 HA VAL 25 -4.902 0.753 -0.630
143 HB VAL 25 HB VAL 25 -3.655 2.848 -1.305
144 HG11 VAL 25 1HG1 VAL 25 -6.233 3.811 -1.910
145 HG12 VAL 25 2HG1 VAL 25 -6.343 2.051 -1.842
146 HG13 VAL 25 3HG1 VAL 25 -5.175 2.822 -2.918
147 HG21 VAL 25 3HG2 VAL 25 -5.152 3.884 0.962
148 HG22 VAL 25 1HG2 VAL 25 -5.374 4.846 -0.500
149 HG23 VAL 25 2HG2 VAL 25 -3.752 4.554 0.128
150 H CYS 26 H CYS 26 -2.786 0.140 -0.552
151 HA CYS 26 HA CYS 26 -1.457 0.372 2.015
152 HB2 CYS 26 2HB CYS 26 -0.653 -1.058 -0.528
153 HB3 CYS 26 1HB CYS 26 0.227 -1.145 0.995
154 H THR 27 H THR 27 0.233 1.701 2.478
155 HA THR 27 HA THR 27 1.789 2.863 0.332
156 HB THR 27 HB THR 27 -0.134 4.414 0.513
157 HG1 THR 27 1HG THR 27 1.208 6.014 0.154
158 HG21 THR 27 3HG2 THR 27 -0.784 5.474 2.432
159 HG22 THR 27 1HG2 THR 27 0.823 5.387 3.154
160 HG23 THR 27 2HG2 THR 27 -0.209 3.957 3.122
161 H ARG 28 H ARG 28 3.532 4.318 1.284
162 HA ARG 28 HA ARG 28 4.207 4.167 4.013
163 HB2 ARG 28 2HB ARG 28 4.800 1.802 2.544
164 HB3 ARG 28 1HB ARG 28 6.320 2.601 2.917
165 HG2 ARG 28 2HG ARG 28 4.209 2.021 4.975
166 HG3 ARG 28 1HG ARG 28 5.533 0.918 4.598
167 HD2 ARG 28 2HD ARG 28 7.157 2.532 5.293
168 HD3 ARG 28 1HD ARG 28 5.916 3.773 5.476
169 HE ARG 28 HE ARG 28 5.147 1.731 7.143
170 HH11 ARG 28 1HH1 ARG 28 7.998 3.734 6.795
171 HH12 ARG 28 2HH1 ARG 28 8.371 3.728 8.487
172 HH21 ARG 28 1HH2 ARG 28 5.630 1.716 9.378
173 HH22 ARG 28 2HH2 ARG 28 7.017 2.572 9.964
174 H ASN 29 H ASN 29 6.965 4.026 3.779
175 HA ASN 29 HA ASN 29 8.197 5.546 1.818
176 HB2 ASN 29 2HB ASN 29 6.643 7.359 2.627
177 HB3 ASN 29 1HB ASN 29 7.432 7.264 4.197
178 HD21 ASN 29 1HD2 ASN 29 7.322 8.976 1.445
179 HD22 ASN 29 2HD2 ASN 29 8.919 9.637 1.434
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -2.646 10.365 -4.052
2 HA2 GLY 1 2HA GLY 1 -0.984 12.539 -5.099
3 HA3 GLY 1 1HA GLY 1 -0.976 11.932 -3.449
4 H LEU 2 H LEU 2 -0.793 10.075 -6.414
5 HA LEU 2 HA LEU 2 0.733 8.653 -7.288
6 HB2 LEU 2 2HB LEU 2 2.149 10.669 -7.376
7 HB3 LEU 2 1HB LEU 2 2.744 10.311 -5.765
8 HG LEU 2 HG LEU 2 3.672 8.164 -6.653
9 HD11 LEU 2 1HD1 LEU 2 2.272 7.863 -8.588
10 HD12 LEU 2 2HD1 LEU 2 3.955 7.984 -9.098
11 HD13 LEU 2 3HD1 LEU 2 2.871 9.361 -9.299
12 HD21 LEU 2 3HD2 LEU 2 4.788 10.468 -8.208
13 HD22 LEU 2 1HD2 LEU 2 5.638 9.144 -7.412
14 HD23 LEU 2 2HD2 LEU 2 4.895 10.421 -6.449
15 HA PRO 3 HA PRO 3 0.766 5.994 -3.595
16 HB2 PRO 3 2HB PRO 3 0.110 3.727 -4.935
17 HB3 PRO 3 1HB PRO 3 -1.093 4.904 -4.397
18 HG2 PRO 3 2HG PRO 3 0.095 4.511 -7.110
19 HG3 PRO 3 1HG PRO 3 -1.579 4.883 -6.662
20 HD2 PRO 3 2HD PRO 3 0.190 6.753 -7.573
21 HD3 PRO 3 1HD PRO 3 -1.159 7.130 -6.484
22 H VAL 4 H VAL 4 2.719 5.415 -2.913
23 HA VAL 4 HA VAL 4 4.907 4.895 -4.613
24 HB VAL 4 HB VAL 4 4.684 4.164 -1.692
25 HG11 VAL 4 1HG1 VAL 4 6.683 3.568 -3.463
26 HG12 VAL 4 2HG1 VAL 4 6.870 3.695 -1.713
27 HG13 VAL 4 3HG1 VAL 4 7.251 5.076 -2.744
28 HG21 VAL 4 3HG2 VAL 4 4.621 6.327 -1.196
29 HG22 VAL 4 1HG2 VAL 4 4.581 6.730 -2.913
30 HG23 VAL 4 2HG2 VAL 4 6.128 6.573 -2.078
31 H CYS 5 H CYS 5 2.764 2.804 -2.799
32 HA CYS 5 HA CYS 5 4.125 0.422 -3.737
33 HB2 CYS 5 2HB CYS 5 1.694 0.747 -1.979
34 HB3 CYS 5 1HB CYS 5 2.489 -0.781 -2.335
35 H GLY 6 H GLY 6 0.921 1.849 -3.934
36 HA2 GLY 6 2HA GLY 6 -0.403 1.964 -5.886
37 HA3 GLY 6 1HA GLY 6 0.587 0.698 -6.598
38 H GLU 7 H GLU 7 0.428 -1.133 -4.434
39 HA GLU 7 HA GLU 7 -1.852 -2.585 -5.107
40 HB2 GLU 7 2HB GLU 7 -0.483 -2.850 -2.444
41 HB3 GLU 7 1HB GLU 7 -1.231 -4.107 -3.418
42 HG2 GLU 7 2HG GLU 7 0.556 -3.933 -5.050
43 HG3 GLU 7 1HG GLU 7 1.296 -2.633 -4.117
44 H THR 8 H THR 8 -3.901 -2.661 -4.321
45 HA THR 8 HA THR 8 -4.686 -0.574 -2.477
46 HB THR 8 HB THR 8 -7.008 -1.604 -3.003
47 HG1 THR 8 1HG THR 8 -6.481 -2.434 -5.408
48 HG21 THR 8 3HG2 THR 8 -5.285 -0.079 -4.934
49 HG22 THR 8 1HG2 THR 8 -6.535 0.533 -3.851
50 HG23 THR 8 2HG2 THR 8 -6.984 -0.414 -5.270
51 H CYS 9 H CYS 9 -5.096 -0.891 -0.396
52 HA CYS 9 HA CYS 9 -4.979 -3.595 0.686
53 HB2 CYS 9 2HB CYS 9 -3.659 -1.675 1.671
54 HB3 CYS 9 1HB CYS 9 -5.197 -1.015 2.214
55 H VAL 10 H VAL 10 -7.252 -3.014 -0.809
56 HA VAL 10 HA VAL 10 -9.413 -2.091 0.704
57 HB VAL 10 HB VAL 10 -9.546 -2.244 -1.720
58 HG11 VAL 10 1HG1 VAL 10 -9.618 -5.236 -1.367
59 HG12 VAL 10 2HG1 VAL 10 -8.269 -4.311 -2.024
60 HG13 VAL 10 3HG1 VAL 10 -9.809 -4.356 -2.883
61 HG21 VAL 10 3HG2 VAL 10 -11.592 -2.504 -0.131
62 HG22 VAL 10 1HG2 VAL 10 -11.649 -4.142 -0.782
63 HG23 VAL 10 2HG2 VAL 10 -11.787 -2.759 -1.866
64 H GLY 11 H GLY 11 -7.987 -5.266 0.411
65 HA2 GLY 11 2HA GLY 11 -10.042 -6.417 2.147
66 HA3 GLY 11 1HA GLY 11 -8.805 -7.313 1.280
67 H GLY 12 H GLY 12 -7.908 -4.479 3.062
68 HA2 GLY 12 2HA GLY 12 -6.605 -4.178 4.924
69 HA3 GLY 12 1HA GLY 12 -7.441 -5.569 5.594
70 H THR 13 H THR 13 -5.285 -5.427 2.778
71 HA THR 13 HA THR 13 -3.179 -6.745 4.245
72 HB THR 13 HB THR 13 -4.653 -8.601 3.576
73 HG1 THR 13 1HG THR 13 -2.838 -9.649 3.448
74 HG21 THR 13 3HG2 THR 13 -4.985 -9.208 1.277
75 HG22 THR 13 1HG2 THR 13 -3.961 -7.879 0.734
76 HG23 THR 13 2HG2 THR 13 -5.517 -7.539 1.492
77 H CYS 14 H CYS 14 -1.219 -6.908 3.051
78 HA CYS 14 HA CYS 14 -1.062 -5.335 0.585
79 HB2 CYS 14 2HB CYS 14 0.693 -4.932 3.022
80 HB3 CYS 14 1HB CYS 14 0.997 -4.214 1.444
81 H ASN 15 H ASN 15 0.364 -6.137 -0.876
82 HA ASN 15 HA ASN 15 1.504 -8.733 -0.280
83 HB2 ASN 15 2HB ASN 15 0.346 -8.651 -2.331
84 HB3 ASN 15 1HB ASN 15 1.106 -7.134 -2.798
85 HD21 ASN 15 1HD2 ASN 15 2.681 -7.244 -4.185
86 HD22 ASN 15 2HD2 ASN 15 3.635 -8.648 -4.539
87 H THR 16 H THR 16 2.689 -5.599 -1.507
88 HA THR 16 HA THR 16 5.404 -6.442 -1.569
89 HB THR 16 HB THR 16 4.262 -3.643 -1.562
90 HG1 THR 16 1HG THR 16 3.642 -5.039 -3.351
91 HG21 THR 16 3HG2 THR 16 6.882 -4.242 -2.805
92 HG22 THR 16 1HG2 THR 16 6.837 -4.224 -1.041
93 HG23 THR 16 2HG2 THR 16 6.337 -2.798 -1.953
94 HA PRO 17 HA PRO 17 6.188 -6.254 2.823
95 HB2 PRO 17 2HB PRO 17 8.927 -6.499 2.534
96 HB3 PRO 17 1HB PRO 17 7.802 -7.859 2.603
97 HG2 PRO 17 2HG PRO 17 9.050 -6.547 0.225
98 HG3 PRO 17 1HG PRO 17 8.739 -8.268 0.524
99 HD2 PRO 17 2HD PRO 17 7.169 -6.808 -1.095
100 HD3 PRO 17 1HD PRO 17 6.507 -8.095 -0.066
101 H GLY 18 H GLY 18 6.434 -4.499 4.030
102 HA2 GLY 18 2HA GLY 18 7.675 -2.570 4.730
103 HA3 GLY 18 1HA GLY 18 8.192 -2.352 3.062
104 H CYS 19 H CYS 19 5.186 -3.092 2.454
105 HA CYS 19 HA CYS 19 4.366 -0.297 2.438
106 HB2 CYS 19 2HB CYS 19 3.157 -2.776 1.202
107 HB3 CYS 19 1HB CYS 19 2.412 -1.182 1.107
108 H THR 20 H THR 20 3.123 0.570 3.885
109 HA THR 20 HA THR 20 1.822 -1.068 5.902
110 HB THR 20 HB THR 20 1.595 1.905 5.864
111 HG1 THR 20 1HG THR 20 4.008 0.525 6.526
112 HG21 THR 20 3HG2 THR 20 1.756 1.690 8.227
113 HG22 THR 20 1HG2 THR 20 2.373 0.043 8.104
114 HG23 THR 20 2HG2 THR 20 0.696 0.390 7.682
115 H CYS 21 H CYS 21 -0.395 -1.154 6.191
116 HA CYS 21 HA CYS 21 -1.984 -0.627 3.887
117 HB2 CYS 21 2HB CYS 21 -2.418 -2.558 5.349
118 HB3 CYS 21 1HB CYS 21 -2.853 -1.465 6.659
119 H SER 22 H SER 22 -2.909 1.185 3.354
120 HA SER 22 HA SER 22 -3.819 3.037 5.443
121 HB2 SER 22 2HB SER 22 -1.714 3.886 4.353
122 HB3 SER 22 1HB SER 22 -2.548 3.846 2.802
123 HG SER 22 HG SER 22 -4.027 5.365 3.636
124 H TRP 23 H TRP 23 -5.571 1.459 4.905
125 HA TRP 23 HA TRP 23 -6.984 0.886 2.803
126 HB2 TRP 23 2HB TRP 23 -7.614 0.701 5.313
127 HB3 TRP 23 1HB TRP 23 -8.541 2.169 5.017
128 HD1 TRP 23 HD TRP 23 -8.387 -1.521 3.944
129 HE1 TRP 23 1HE TRP 23 -10.694 -2.208 3.029
130 HE3 TRP 23 3HE TRP 23 -10.669 3.049 4.016
131 HZ2 TRP 23 2HZ TRP 23 -13.155 -0.967 2.419
132 HZ3 TRP 23 3HZ TRP 23 -13.001 3.216 3.250
133 HH2 TRP 23 HH TRP 23 -14.216 1.249 2.468
134 HA PRO 24 HA PRO 24 -8.109 0.572 1.525
135 HB2 PRO 24 2HB PRO 24 -9.111 0.792 -0.931
136 HB3 PRO 24 1HB PRO 24 -10.109 1.090 0.497
137 HG2 PRO 24 2HG PRO 24 -8.982 3.014 -1.452
138 HG3 PRO 24 1HG PRO 24 -10.435 3.149 -0.449
139 HD2 PRO 24 2HD PRO 24 -7.830 4.243 0.055
140 HD3 PRO 24 1HD PRO 24 -9.280 4.361 1.072
141 H VAL 25 H VAL 25 -5.593 2.265 1.155
142 HA VAL 25 HA VAL 25 -4.512 0.670 -1.067
143 HB VAL 25 HB VAL 25 -3.168 2.651 -1.844
144 HG11 VAL 25 1HG1 VAL 25 -6.159 2.887 -2.137
145 HG12 VAL 25 2HG1 VAL 25 -5.111 1.830 -3.084
146 HG13 VAL 25 3HG1 VAL 25 -4.948 3.582 -3.215
147 HG21 VAL 25 3HG2 VAL 25 -4.876 3.980 0.188
148 HG22 VAL 25 1HG2 VAL 25 -4.536 4.857 -1.303
149 HG23 VAL 25 2HG2 VAL 25 -3.208 4.308 -0.281
150 H CYS 26 H CYS 26 -2.407 0.036 -0.884
151 HA CYS 26 HA CYS 26 -1.190 0.320 1.729
152 HB2 CYS 26 2HB CYS 26 -0.274 -1.180 -0.737
153 HB3 CYS 26 1HB CYS 26 0.499 -1.262 0.843
154 H THR 27 H THR 27 0.600 1.544 2.208
155 HA THR 27 HA THR 27 2.155 2.706 0.053
156 HB THR 27 HB THR 27 0.270 4.304 0.360
157 HG1 THR 27 1HG THR 27 1.769 6.153 0.778
158 HG21 THR 27 3HG2 THR 27 0.284 5.723 2.403
159 HG22 THR 27 1HG2 THR 27 1.447 4.608 3.123
160 HG23 THR 27 2HG2 THR 27 -0.176 4.049 2.718
161 H ARG 28 H ARG 28 3.976 4.041 0.964
162 HA ARG 28 HA ARG 28 5.188 2.543 3.118
163 HB2 ARG 28 2HB ARG 28 6.280 4.850 1.494
164 HB3 ARG 28 1HB ARG 28 7.207 3.855 2.609
165 HG2 ARG 28 2HG ARG 28 5.867 2.914 0.083
166 HG3 ARG 28 1HG ARG 28 7.596 3.176 0.316
167 HD2 ARG 28 2HD ARG 28 7.747 1.385 1.866
168 HD3 ARG 28 1HD ARG 28 5.994 1.251 1.986
169 HE ARG 28 HE ARG 28 6.015 -0.092 0.154
170 HH11 ARG 28 1HH1 ARG 28 9.032 1.685 0.209
171 HH12 ARG 28 2HH1 ARG 28 9.672 0.895 -1.192
172 HH21 ARG 28 1HH2 ARG 28 6.844 -1.131 -1.693
173 HH22 ARG 28 2HH2 ARG 28 8.420 -0.713 -2.282
174 H ASN 29 H ASN 29 3.580 3.283 4.689
175 HA ASN 29 HA ASN 29 3.582 6.035 5.503
176 HB2 ASN 29 2HB ASN 29 1.624 4.513 5.802
177 HB3 ASN 29 1HB ASN 29 2.543 3.621 7.008
178 HD21 ASN 29 1HD2 ASN 29 0.213 5.842 6.651
179 HD22 ASN 29 2HD2 ASN 29 0.391 6.717 8.128
Start of MODEL 7
1 H1 GLY 1 H GLY 1 9.412 10.339 -8.387
2 HA2 GLY 1 2HA GLY 1 7.766 11.878 -6.487
3 HA3 GLY 1 1HA GLY 1 7.844 12.333 -8.184
4 H LEU 2 H LEU 2 7.716 9.099 -6.788
5 HA LEU 2 HA LEU 2 4.943 8.715 -7.431
6 HB2 LEU 2 2HB LEU 2 6.054 8.512 -9.654
7 HB3 LEU 2 1HB LEU 2 7.030 7.206 -9.017
8 HG LEU 2 HG LEU 2 4.901 5.933 -8.596
9 HD11 LEU 2 1HD1 LEU 2 3.731 8.404 -9.214
10 HD12 LEU 2 2HD1 LEU 2 2.916 6.873 -8.894
11 HD13 LEU 2 3HD1 LEU 2 3.330 7.322 -10.548
12 HD21 LEU 2 3HD2 LEU 2 4.640 5.255 -10.915
13 HD22 LEU 2 1HD2 LEU 2 6.343 5.503 -10.531
14 HD23 LEU 2 2HD2 LEU 2 5.460 6.720 -11.452
15 HA PRO 3 HA PRO 3 5.788 5.958 -4.031
16 HB2 PRO 3 2HB PRO 3 3.067 4.947 -4.486
17 HB3 PRO 3 1HB PRO 3 3.732 5.770 -3.075
18 HG2 PRO 3 2HG PRO 3 1.968 6.966 -4.716
19 HG3 PRO 3 1HG PRO 3 3.265 7.868 -3.908
20 HD2 PRO 3 2HD PRO 3 3.113 6.889 -6.736
21 HD3 PRO 3 1HD PRO 3 3.712 8.439 -6.112
22 H VAL 4 H VAL 4 6.618 3.960 -3.955
23 HA VAL 4 HA VAL 4 6.807 2.370 -6.275
24 HB VAL 4 HB VAL 4 8.572 2.357 -4.625
25 HG11 VAL 4 1HG1 VAL 4 8.404 1.837 -2.431
26 HG12 VAL 4 2HG1 VAL 4 7.081 0.699 -2.689
27 HG13 VAL 4 3HG1 VAL 4 6.766 2.433 -2.700
28 HG21 VAL 4 3HG2 VAL 4 8.099 -0.386 -4.166
29 HG22 VAL 4 1HG2 VAL 4 9.097 0.356 -5.418
30 HG23 VAL 4 2HG2 VAL 4 7.395 0.016 -5.733
31 H CYS 5 H CYS 5 4.957 2.062 -3.337
32 HA CYS 5 HA CYS 5 3.527 -0.256 -4.390
33 HB2 CYS 5 2HB CYS 5 2.996 1.023 -1.725
34 HB3 CYS 5 1HB CYS 5 2.698 -0.633 -2.223
35 H GLY 6 H GLY 6 1.200 -0.275 -4.369
36 HA2 GLY 6 2HA GLY 6 -0.334 2.087 -4.006
37 HA3 GLY 6 1HA GLY 6 0.032 1.861 -5.711
38 H GLU 7 H GLU 7 -0.302 -0.896 -3.651
39 HA GLU 7 HA GLU 7 -2.568 -1.769 -5.205
40 HB2 GLU 7 2HB GLU 7 -2.350 -3.883 -4.004
41 HB3 GLU 7 1HB GLU 7 -0.818 -3.379 -4.687
42 HG2 GLU 7 2HG GLU 7 -1.479 -2.768 -1.839
43 HG3 GLU 7 1HG GLU 7 -0.908 -4.368 -2.301
44 H THR 8 H THR 8 -4.600 -2.209 -4.437
45 HA THR 8 HA THR 8 -5.487 -0.501 -2.335
46 HB THR 8 HB THR 8 -7.707 -1.756 -2.839
47 HG1 THR 8 1HG THR 8 -7.382 -2.427 -5.238
48 HG21 THR 8 3HG2 THR 8 -7.242 -0.439 -5.308
49 HG22 THR 8 1HG2 THR 8 -6.348 0.427 -4.060
50 HG23 THR 8 2HG2 THR 8 -8.084 0.173 -3.884
51 H CYS 9 H CYS 9 -5.747 -0.953 -0.288
52 HA CYS 9 HA CYS 9 -5.350 -3.685 0.667
53 HB2 CYS 9 2HB CYS 9 -4.083 -1.752 1.649
54 HB3 CYS 9 1HB CYS 9 -5.616 -1.145 2.263
55 H VAL 10 H VAL 10 -7.763 -3.093 -0.678
56 HA VAL 10 HA VAL 10 -9.880 -2.435 1.016
57 HB VAL 10 HB VAL 10 -9.986 -4.266 -1.386
58 HG11 VAL 10 1HG1 VAL 10 -12.307 -2.611 -0.943
59 HG12 VAL 10 2HG1 VAL 10 -11.982 -3.636 0.455
60 HG13 VAL 10 3HG1 VAL 10 -12.195 -4.360 -1.139
61 HG21 VAL 10 3HG2 VAL 10 -10.118 -1.271 -1.148
62 HG22 VAL 10 1HG2 VAL 10 -10.719 -2.145 -2.556
63 HG23 VAL 10 2HG2 VAL 10 -9.013 -2.243 -2.120
64 H GLY 11 H GLY 11 -8.387 -5.519 0.275
65 HA2 GLY 11 2HA GLY 11 -10.197 -6.929 2.073
66 HA3 GLY 11 1HA GLY 11 -8.960 -7.659 1.062
67 H GLY 12 H GLY 12 -8.120 -4.927 3.017
68 HA2 GLY 12 2HA GLY 12 -6.723 -4.687 4.815
69 HA3 GLY 12 1HA GLY 12 -7.450 -6.163 5.427
70 H THR 13 H THR 13 -5.405 -5.626 2.564
71 HA THR 13 HA THR 13 -3.214 -7.026 3.823
72 HB THR 13 HB THR 13 -4.559 -8.860 2.958
73 HG1 THR 13 1HG THR 13 -2.452 -8.770 1.122
74 HG21 THR 13 3HG2 THR 13 -4.655 -9.082 0.398
75 HG22 THR 13 1HG2 THR 13 -4.385 -7.338 0.381
76 HG23 THR 13 2HG2 THR 13 -5.810 -8.001 1.180
77 H CYS 14 H CYS 14 -1.260 -6.852 2.709
78 HA CYS 14 HA CYS 14 -1.227 -4.803 0.596
79 HB2 CYS 14 2HB CYS 14 0.710 -5.237 2.873
80 HB3 CYS 14 1HB CYS 14 1.060 -4.203 1.489
81 H ASN 15 H ASN 15 0.166 -5.073 -1.107
82 HA ASN 15 HA ASN 15 1.048 -7.821 -1.530
83 HB2 ASN 15 2HB ASN 15 -0.321 -6.866 -3.279
84 HB3 ASN 15 1HB ASN 15 0.745 -5.473 -3.411
85 HD21 ASN 15 1HD2 ASN 15 2.195 -5.529 -4.966
86 HD22 ASN 15 2HD2 ASN 15 2.767 -6.948 -5.766
87 H THR 16 H THR 16 2.339 -4.513 -1.798
88 HA THR 16 HA THR 16 4.996 -5.494 -2.298
89 HB THR 16 HB THR 16 4.380 -2.650 -1.586
90 HG1 THR 16 1HG THR 16 2.852 -2.887 -3.117
91 HG21 THR 16 3HG2 THR 16 6.281 -3.991 -3.517
92 HG22 THR 16 1HG2 THR 16 6.706 -3.232 -1.982
93 HG23 THR 16 2HG2 THR 16 6.109 -2.246 -3.317
94 HA PRO 17 HA PRO 17 5.920 -6.122 2.038
95 HB2 PRO 17 2HB PRO 17 8.624 -6.522 1.560
96 HB3 PRO 17 1HB PRO 17 7.388 -7.784 1.519
97 HG2 PRO 17 2HG PRO 17 8.624 -6.264 -0.732
98 HG3 PRO 17 1HG PRO 17 8.163 -7.975 -0.650
99 HD2 PRO 17 2HD PRO 17 6.661 -6.175 -1.957
100 HD3 PRO 17 1HD PRO 17 5.926 -7.518 -1.056
101 H GLY 18 H GLY 18 6.538 -4.765 3.583
102 HA2 GLY 18 2HA GLY 18 7.908 -3.087 4.542
103 HA3 GLY 18 1HA GLY 18 8.376 -2.584 2.922
104 H CYS 19 H CYS 19 5.439 -2.772 2.107
105 HA CYS 19 HA CYS 19 4.827 -0.070 3.024
106 HB2 CYS 19 2HB CYS 19 3.926 -1.738 0.722
107 HB3 CYS 19 1HB CYS 19 2.877 -0.438 1.287
108 H THR 20 H THR 20 3.265 0.467 4.363
109 HA THR 20 HA THR 20 1.829 -1.675 5.696
110 HB THR 20 HB THR 20 2.936 -0.059 7.123
111 HG1 THR 20 1HG THR 20 0.403 0.791 7.680
112 HG21 THR 20 3HG2 THR 20 2.201 1.823 5.252
113 HG22 THR 20 1HG2 THR 20 2.904 2.163 6.834
114 HG23 THR 20 2HG2 THR 20 1.154 2.193 6.622
115 H CYS 21 H CYS 21 -0.420 -1.460 6.184
116 HA CYS 21 HA CYS 21 -1.924 -0.743 3.843
117 HB2 CYS 21 2HB CYS 21 -2.490 -2.785 5.016
118 HB3 CYS 21 1HB CYS 21 -2.779 -1.892 6.504
119 H SER 22 H SER 22 -3.043 1.033 3.496
120 HA SER 22 HA SER 22 -3.828 2.737 5.744
121 HB2 SER 22 2HB SER 22 -2.560 3.745 3.175
122 HB3 SER 22 1HB SER 22 -3.128 4.741 4.515
123 HG SER 22 HG SER 22 -1.490 2.977 5.553
124 H TRP 23 H TRP 23 -5.637 1.297 5.159
125 HA TRP 23 HA TRP 23 -7.119 0.872 3.079
126 HB2 TRP 23 2HB TRP 23 -7.685 0.679 5.633
127 HB3 TRP 23 1HB TRP 23 -8.631 2.131 5.324
128 HD1 TRP 23 HD TRP 23 -8.383 -1.537 4.144
129 HE1 TRP 23 1HE TRP 23 -10.696 -2.271 3.289
130 HE3 TRP 23 3HE TRP 23 -10.832 2.935 4.507
131 HZ2 TRP 23 2HZ TRP 23 -13.225 -1.103 2.823
132 HZ3 TRP 23 3HZ TRP 23 -13.196 3.043 3.832
133 HH2 TRP 23 HH TRP 23 -14.365 1.064 3.007
134 HA PRO 24 HA PRO 24 -8.311 0.645 1.836
135 HB2 PRO 24 2HB PRO 24 -9.337 0.979 -0.595
136 HB3 PRO 24 1HB PRO 24 -10.299 1.294 0.853
137 HG2 PRO 24 2HG PRO 24 -9.073 3.207 -1.054
138 HG3 PRO 24 1HG PRO 24 -10.529 3.383 -0.063
139 HD2 PRO 24 2HD PRO 24 -7.903 4.368 0.495
140 HD3 PRO 24 1HD PRO 24 -9.342 4.475 1.526
141 H VAL 25 H VAL 25 -5.728 2.265 1.443
142 HA VAL 25 HA VAL 25 -4.717 0.601 -0.754
143 HB VAL 25 HB VAL 25 -3.364 2.559 -1.623
144 HG11 VAL 25 1HG1 VAL 25 -5.065 1.820 -3.036
145 HG12 VAL 25 2HG1 VAL 25 -5.379 3.547 -2.862
146 HG13 VAL 25 3HG1 VAL 25 -6.338 2.381 -1.950
147 HG21 VAL 25 3HG2 VAL 25 -5.434 4.408 -0.588
148 HG22 VAL 25 1HG2 VAL 25 -3.741 4.705 -0.985
149 HG23 VAL 25 2HG2 VAL 25 -4.165 3.906 0.530
150 H CYS 26 H CYS 26 -2.607 -0.044 -0.569
151 HA CYS 26 HA CYS 26 -1.356 0.413 2.007
152 HB2 CYS 26 2HB CYS 26 -0.573 -1.327 -0.338
153 HB3 CYS 26 1HB CYS 26 0.339 -1.231 1.166
154 H THR 27 H THR 27 0.606 1.472 2.354
155 HA THR 27 HA THR 27 1.994 2.610 0.074
156 HB THR 27 HB THR 27 0.204 4.262 0.595
157 HG1 THR 27 1HG THR 27 1.680 6.045 0.684
158 HG21 THR 27 3HG2 THR 27 0.685 5.676 2.687
159 HG22 THR 27 1HG2 THR 27 1.580 4.272 3.265
160 HG23 THR 27 2HG2 THR 27 -0.142 4.134 2.909
161 H ARG 28 H ARG 28 3.898 3.986 0.896
162 HA ARG 28 HA ARG 28 5.217 2.424 2.981
163 HB2 ARG 28 2HB ARG 28 6.298 2.737 0.737
164 HB3 ARG 28 1HB ARG 28 6.421 4.455 1.088
165 HG2 ARG 28 2HG ARG 28 8.528 3.333 1.508
166 HG3 ARG 28 1HG ARG 28 7.848 3.962 3.011
167 HD2 ARG 28 2HD ARG 28 8.756 1.713 3.317
168 HD3 ARG 28 1HD ARG 28 7.013 1.743 3.576
169 HE ARG 28 HE ARG 28 6.755 0.327 1.804
170 HH11 ARG 28 1HH1 ARG 28 9.984 1.669 1.677
171 HH12 ARG 28 2HH1 ARG 28 10.487 0.673 0.353
172 HH21 ARG 28 1HH2 ARG 28 7.405 -0.988 0.051
173 HH22 ARG 28 2HH2 ARG 28 9.016 -0.850 -0.572
174 H ASN 29 H ASN 29 5.218 3.202 4.968
175 HA ASN 29 HA ASN 29 4.470 5.894 5.533
176 HB2 ASN 29 2HB ASN 29 3.823 4.148 7.082
177 HB3 ASN 29 1HB ASN 29 5.503 3.685 7.327
178 HD21 ASN 29 1HD2 ASN 29 6.251 4.324 9.208
179 HD22 ASN 29 2HD2 ASN 29 5.839 5.785 10.030
Start of MODEL 8
1 H1 GLY 1 H GLY 1 13.307 4.082 -4.454
2 HA2 GLY 1 2HA GLY 1 13.883 2.053 -2.826
3 HA3 GLY 1 1HA GLY 1 12.536 2.788 -1.969
4 H LEU 2 H LEU 2 12.980 0.187 -3.510
5 HA LEU 2 HA LEU 2 11.267 0.287 -5.731
6 HB2 LEU 2 2HB LEU 2 11.345 -2.181 -5.694
7 HB3 LEU 2 1HB LEU 2 12.908 -1.398 -5.721
8 HG LEU 2 HG LEU 2 12.676 -1.773 -3.076
9 HD11 LEU 2 1HD1 LEU 2 10.418 -2.999 -3.770
10 HD12 LEU 2 2HD1 LEU 2 11.415 -3.544 -2.421
11 HD13 LEU 2 3HD1 LEU 2 11.532 -4.349 -3.985
12 HD21 LEU 2 3HD2 LEU 2 14.598 -2.501 -4.183
13 HD22 LEU 2 1HD2 LEU 2 13.693 -3.603 -5.221
14 HD23 LEU 2 2HD2 LEU 2 13.901 -3.975 -3.510
15 HA PRO 3 HA PRO 3 7.847 -1.479 -2.864
16 HB2 PRO 3 2HB PRO 3 7.858 -0.694 -0.276
17 HB3 PRO 3 1HB PRO 3 8.676 -2.157 -0.833
18 HG2 PRO 3 2HG PRO 3 9.811 0.520 -0.178
19 HG3 PRO 3 1HG PRO 3 10.479 -1.092 0.133
20 HD2 PRO 3 2HD PRO 3 11.257 0.542 -1.943
21 HD3 PRO 3 1HD PRO 3 11.427 -1.216 -1.950
22 H VAL 4 H VAL 4 7.629 0.604 -4.421
23 HA VAL 4 HA VAL 4 6.852 3.043 -3.187
24 HB VAL 4 HB VAL 4 6.024 2.028 -5.910
25 HG11 VAL 4 1HG1 VAL 4 6.318 4.877 -4.983
26 HG12 VAL 4 2HG1 VAL 4 4.788 3.999 -4.954
27 HG13 VAL 4 3HG1 VAL 4 5.607 4.293 -6.489
28 HG21 VAL 4 3HG2 VAL 4 8.584 2.271 -5.180
29 HG22 VAL 4 1HG2 VAL 4 8.258 3.945 -5.632
30 HG23 VAL 4 2HG2 VAL 4 8.011 2.651 -6.804
31 H CYS 5 H CYS 5 5.094 0.323 -4.495
32 HA CYS 5 HA CYS 5 3.043 -0.540 -4.184
33 HB2 CYS 5 2HB CYS 5 3.353 0.999 -1.625
34 HB3 CYS 5 1HB CYS 5 1.965 -0.039 -1.946
35 H GLY 6 H GLY 6 0.694 0.348 -3.161
36 HA2 GLY 6 2HA GLY 6 -0.408 2.724 -3.436
37 HA3 GLY 6 1HA GLY 6 -0.008 2.409 -5.121
38 H GLU 7 H GLU 7 -0.484 -0.550 -4.127
39 HA GLU 7 HA GLU 7 -3.002 -0.862 -5.325
40 HB2 GLU 7 2HB GLU 7 -2.898 -3.193 -4.487
41 HB3 GLU 7 1HB GLU 7 -1.433 -2.696 -5.314
42 HG2 GLU 7 2HG GLU 7 -1.668 -2.571 -2.328
43 HG3 GLU 7 1HG GLU 7 -1.208 -4.054 -3.160
44 H THR 8 H THR 8 -5.013 -1.299 -4.487
45 HA THR 8 HA THR 8 -5.686 0.052 -2.097
46 HB THR 8 HB THR 8 -7.951 -1.076 -2.535
47 HG1 THR 8 1HG THR 8 -6.925 -2.743 -3.892
48 HG21 THR 8 3HG2 THR 8 -6.854 0.582 -4.800
49 HG22 THR 8 1HG2 THR 8 -7.251 1.253 -3.218
50 HG23 THR 8 2HG2 THR 8 -8.515 0.522 -4.207
51 H CYS 9 H CYS 9 -5.760 -0.663 -0.096
52 HA CYS 9 HA CYS 9 -5.168 -3.441 0.501
53 HB2 CYS 9 2HB CYS 9 -4.080 -1.532 1.693
54 HB3 CYS 9 1HB CYS 9 -5.646 -1.154 2.391
55 H VAL 10 H VAL 10 -7.592 -3.298 -0.696
56 HA VAL 10 HA VAL 10 -9.711 -3.074 1.217
57 HB VAL 10 HB VAL 10 -9.876 -4.411 -1.491
58 HG11 VAL 10 1HG1 VAL 10 -12.248 -3.676 -1.355
59 HG12 VAL 10 2HG1 VAL 10 -11.949 -3.150 0.301
60 HG13 VAL 10 3HG1 VAL 10 -11.801 -4.856 -0.122
61 HG21 VAL 10 3HG2 VAL 10 -9.034 -1.865 -1.172
62 HG22 VAL 10 1HG2 VAL 10 -10.781 -1.623 -1.213
63 HG23 VAL 10 2HG2 VAL 10 -9.970 -2.427 -2.557
64 H GLY 11 H GLY 11 -8.528 -4.535 2.720
65 HA2 GLY 11 2HA GLY 11 -9.806 -6.904 3.177
66 HA3 GLY 11 1HA GLY 11 -8.450 -7.346 2.148
67 H GLY 12 H GLY 12 -6.951 -5.000 3.406
68 HA2 GLY 12 2HA GLY 12 -5.829 -4.537 5.421
69 HA3 GLY 12 1HA GLY 12 -6.506 -6.007 6.110
70 H THR 13 H THR 13 -4.750 -5.551 3.080
71 HA THR 13 HA THR 13 -2.399 -6.854 4.128
72 HB THR 13 HB THR 13 -3.832 -8.748 3.523
73 HG1 THR 13 1HG THR 13 -2.023 -9.663 2.966
74 HG21 THR 13 3HG2 THR 13 -5.259 -8.075 1.823
75 HG22 THR 13 1HG2 THR 13 -4.106 -9.093 0.962
76 HG23 THR 13 2HG2 THR 13 -3.957 -7.338 0.889
77 H CYS 14 H CYS 14 -0.618 -6.737 2.690
78 HA CYS 14 HA CYS 14 -0.969 -4.921 0.409
79 HB2 CYS 14 2HB CYS 14 1.140 -4.708 2.567
80 HB3 CYS 14 1HB CYS 14 1.183 -3.810 1.052
81 H ASN 15 H ASN 15 0.182 -5.418 -1.364
82 HA ASN 15 HA ASN 15 1.238 -8.017 -1.628
83 HB2 ASN 15 2HB ASN 15 0.194 -6.919 -3.507
84 HB3 ASN 15 1HB ASN 15 1.375 -5.614 -3.456
85 HD21 ASN 15 1HD2 ASN 15 2.879 -5.742 -4.939
86 HD22 ASN 15 2HD2 ASN 15 3.489 -7.192 -5.654
87 H THR 16 H THR 16 2.909 -4.863 -1.885
88 HA THR 16 HA THR 16 5.469 -6.163 -1.860
89 HB THR 16 HB THR 16 5.005 -3.203 -1.577
90 HG1 THR 16 1HG THR 16 4.060 -3.357 -3.473
91 HG21 THR 16 3HG2 THR 16 7.316 -4.667 -1.562
92 HG22 THR 16 1HG2 THR 16 7.197 -2.975 -2.044
93 HG23 THR 16 2HG2 THR 16 7.164 -4.243 -3.268
94 HA PRO 17 HA PRO 17 5.700 -6.346 2.604
95 HB2 PRO 17 2HB PRO 17 8.498 -7.093 1.998
96 HB3 PRO 17 1HB PRO 17 7.279 -7.972 2.926
97 HG2 PRO 17 2HG PRO 17 8.027 -8.785 0.486
98 HG3 PRO 17 1HG PRO 17 6.349 -8.937 1.041
99 HD2 PRO 17 2HD PRO 17 7.560 -6.920 -0.807
100 HD3 PRO 17 1HD PRO 17 5.981 -7.727 -0.900
101 H GLY 18 H GLY 18 6.031 -4.657 3.830
102 HA2 GLY 18 2HA GLY 18 7.766 -3.162 4.782
103 HA3 GLY 18 1HA GLY 18 8.213 -2.808 3.115
104 H CYS 19 H CYS 19 5.270 -2.987 2.401
105 HA CYS 19 HA CYS 19 4.736 -0.180 2.985
106 HB2 CYS 19 2HB CYS 19 3.343 -2.162 1.184
107 HB3 CYS 19 1HB CYS 19 2.840 -0.486 1.382
108 H THR 20 H THR 20 3.215 0.570 4.300
109 HA THR 20 HA THR 20 1.840 -1.312 6.027
110 HB THR 20 HB THR 20 1.659 1.687 6.207
111 HG1 THR 20 1HG THR 20 3.672 1.793 6.900
112 HG21 THR 20 3HG2 THR 20 1.779 -0.357 8.416
113 HG22 THR 20 1HG2 THR 20 0.264 0.128 7.653
114 HG23 THR 20 2HG2 THR 20 1.243 1.322 8.508
115 H CYS 21 H CYS 21 -0.388 -1.387 6.283
116 HA CYS 21 HA CYS 21 -1.910 -0.697 3.942
117 HB2 CYS 21 2HB CYS 21 -2.345 -2.832 4.994
118 HB3 CYS 21 1HB CYS 21 -2.695 -2.051 6.531
119 H SER 22 H SER 22 -2.377 1.394 3.736
120 HA SER 22 HA SER 22 -3.443 2.852 6.041
121 HB2 SER 22 2HB SER 22 -2.351 3.890 3.404
122 HB3 SER 22 1HB SER 22 -2.986 4.896 4.707
123 HG SER 22 HG SER 22 -0.520 3.969 4.420
124 H TRP 23 H TRP 23 -5.126 1.206 5.442
125 HA TRP 23 HA TRP 23 -6.771 0.850 3.464
126 HB2 TRP 23 2HB TRP 23 -7.085 0.234 5.943
127 HB3 TRP 23 1HB TRP 23 -8.042 1.708 6.049
128 HD1 TRP 23 HD TRP 23 -8.052 -1.729 4.309
129 HE1 TRP 23 1HE TRP 23 -10.474 -2.290 3.644
130 HE3 TRP 23 3HE TRP 23 -10.280 2.695 5.549
131 HZ2 TRP 23 2HZ TRP 23 -12.996 -1.022 3.639
132 HZ3 TRP 23 3HZ TRP 23 -12.701 2.945 5.183
133 HH2 TRP 23 HH TRP 23 -14.029 1.123 4.245
134 HA PRO 24 HA PRO 24 -8.122 0.644 2.358
135 HB2 PRO 24 2HB PRO 24 -9.372 1.129 0.057
136 HB3 PRO 24 1HB PRO 24 -10.222 1.222 1.604
137 HG2 PRO 24 2HG PRO 24 -9.290 3.406 -0.179
138 HG3 PRO 24 1HG PRO 24 -10.681 3.364 0.917
139 HD2 PRO 24 2HD PRO 24 -8.124 4.519 1.406
140 HD3 PRO 24 1HD PRO 24 -9.469 4.355 2.551
141 H VAL 25 H VAL 25 -5.667 2.426 1.932
142 HA VAL 25 HA VAL 25 -4.834 1.119 -0.567
143 HB VAL 25 HB VAL 25 -3.540 3.187 -1.205
144 HG11 VAL 25 1HG1 VAL 25 -5.178 3.706 -2.638
145 HG12 VAL 25 2HG1 VAL 25 -6.315 4.098 -1.347
146 HG13 VAL 25 3HG1 VAL 25 -6.082 2.420 -1.838
147 HG21 VAL 25 3HG2 VAL 25 -4.437 4.108 1.277
148 HG22 VAL 25 1HG2 VAL 25 -5.324 5.048 0.076
149 HG23 VAL 25 2HG2 VAL 25 -3.561 5.021 0.050
150 H CYS 26 H CYS 26 -2.775 0.371 -0.630
151 HA CYS 26 HA CYS 26 -1.302 0.377 1.861
152 HB2 CYS 26 2HB CYS 26 -0.873 -0.994 -0.790
153 HB3 CYS 26 1HB CYS 26 0.299 -1.087 0.521
154 H THR 27 H THR 27 0.555 1.470 2.293
155 HA THR 27 HA THR 27 1.988 2.810 0.147
156 HB THR 27 HB THR 27 0.947 4.456 2.460
157 HG1 THR 27 1HG THR 27 -0.271 3.733 0.088
158 HG21 THR 27 3HG2 THR 27 3.020 5.234 1.341
159 HG22 THR 27 1HG2 THR 27 1.670 6.352 1.139
160 HG23 THR 27 2HG2 THR 27 2.141 5.287 -0.187
161 H ARG 28 H ARG 28 4.097 3.446 0.771
162 HA ARG 28 HA ARG 28 5.171 1.922 2.966
163 HB2 ARG 28 2HB ARG 28 7.364 2.811 2.147
164 HB3 ARG 28 1HB ARG 28 6.441 1.924 0.941
165 HG2 ARG 28 2HG ARG 28 5.670 4.075 -0.000
166 HG3 ARG 28 1HG ARG 28 6.697 4.918 1.164
167 HD2 ARG 28 2HD ARG 28 8.669 3.906 0.230
168 HD3 ARG 28 1HD ARG 28 7.692 2.904 -0.842
169 HE ARG 28 HE ARG 28 7.199 5.678 -1.256
170 HH11 ARG 28 1HH1 ARG 28 9.421 3.087 -1.938
171 HH12 ARG 28 2HH1 ARG 28 10.039 3.796 -3.395
172 HH21 ARG 28 1HH2 ARG 28 8.003 6.655 -3.184
173 HH22 ARG 28 2HH2 ARG 28 9.231 5.845 -4.098
174 H ASN 29 H ASN 29 3.464 3.777 3.978
175 HA ASN 29 HA ASN 29 5.132 5.955 4.990
176 HB2 ASN 29 2HB ASN 29 3.012 6.901 5.872
177 HB3 ASN 29 1HB ASN 29 2.979 6.665 4.128
178 HD21 ASN 29 1HD2 ASN 29 1.182 6.374 6.826
179 HD22 ASN 29 2HD2 ASN 29 0.095 5.124 6.325
Start of MODEL 9
1 H1 GLY 1 H GLY 1 10.798 6.278 0.246
2 HA2 GLY 1 2HA GLY 1 8.872 8.168 -0.163
3 HA3 GLY 1 1HA GLY 1 10.477 8.264 -0.875
4 H LEU 2 H LEU 2 10.379 6.150 -2.642
5 HA LEU 2 HA LEU 2 8.982 7.318 -4.814
6 HB2 LEU 2 2HB LEU 2 10.500 4.749 -4.489
7 HB3 LEU 2 1HB LEU 2 9.631 5.104 -5.968
8 HG LEU 2 HG LEU 2 11.845 5.724 -6.397
9 HD11 LEU 2 1HD1 LEU 2 11.659 7.919 -7.042
10 HD12 LEU 2 2HD1 LEU 2 10.802 8.392 -5.573
11 HD13 LEU 2 3HD1 LEU 2 9.970 7.463 -6.822
12 HD21 LEU 2 3HD2 LEU 2 12.096 6.013 -3.668
13 HD22 LEU 2 1HD2 LEU 2 12.321 7.651 -4.279
14 HD23 LEU 2 2HD2 LEU 2 13.343 6.342 -4.870
15 HA PRO 3 HA PRO 3 5.059 5.342 -4.468
16 HB2 PRO 3 2HB PRO 3 4.169 5.650 -6.988
17 HB3 PRO 3 1HB PRO 3 4.369 7.022 -5.892
18 HG2 PRO 3 2HG PRO 3 6.175 6.068 -8.080
19 HG3 PRO 3 1HG PRO 3 5.694 7.724 -7.670
20 HD2 PRO 3 2HD PRO 3 8.080 6.621 -6.921
21 HD3 PRO 3 1HD PRO 3 7.256 7.896 -6.000
22 H VAL 4 H VAL 4 6.933 3.382 -4.488
23 HA VAL 4 HA VAL 4 6.793 1.618 -6.702
24 HB VAL 4 HB VAL 4 7.464 0.941 -3.835
25 HG11 VAL 4 1HG1 VAL 4 7.932 -1.133 -4.501
26 HG12 VAL 4 2HG1 VAL 4 8.834 -0.556 -5.902
27 HG13 VAL 4 3HG1 VAL 4 7.084 -0.749 -5.998
28 HG21 VAL 4 3HG2 VAL 4 9.777 1.316 -4.407
29 HG22 VAL 4 1HG2 VAL 4 8.849 2.777 -4.750
30 HG23 VAL 4 2HG2 VAL 4 9.338 1.712 -6.068
31 H CYS 5 H CYS 5 5.169 1.699 -3.590
32 HA CYS 5 HA CYS 5 3.445 -0.517 -4.284
33 HB2 CYS 5 2HB CYS 5 3.029 1.230 -1.888
34 HB3 CYS 5 1HB CYS 5 2.698 -0.484 -2.078
35 H GLY 6 H GLY 6 1.157 -0.351 -4.295
36 HA2 GLY 6 2HA GLY 6 -0.272 2.076 -4.246
37 HA3 GLY 6 1HA GLY 6 0.141 1.704 -5.914
38 H GLU 7 H GLU 7 -0.387 -0.839 -3.616
39 HA GLU 7 HA GLU 7 -2.669 -1.735 -5.168
40 HB2 GLU 7 2HB GLU 7 -2.512 -3.794 -3.814
41 HB3 GLU 7 1HB GLU 7 -1.007 -3.409 -4.625
42 HG2 GLU 7 2HG GLU 7 -1.400 -2.505 -1.818
43 HG3 GLU 7 1HG GLU 7 -1.049 -4.202 -2.129
44 H THR 8 H THR 8 -4.710 -2.055 -4.359
45 HA THR 8 HA THR 8 -5.454 -0.287 -2.233
46 HB THR 8 HB THR 8 -7.764 -1.338 -2.730
47 HG1 THR 8 1HG THR 8 -7.468 -2.008 -5.167
48 HG21 THR 8 3HG2 THR 8 -6.857 0.914 -3.480
49 HG22 THR 8 1HG2 THR 8 -8.145 0.222 -4.467
50 HG23 THR 8 2HG2 THR 8 -6.470 0.133 -5.014
51 H CYS 9 H CYS 9 -5.695 -0.798 -0.183
52 HA CYS 9 HA CYS 9 -5.384 -3.557 0.671
53 HB2 CYS 9 2HB CYS 9 -4.185 -1.629 1.763
54 HB3 CYS 9 1HB CYS 9 -5.749 -1.114 2.384
55 H VAL 10 H VAL 10 -7.722 -3.117 -0.712
56 HA VAL 10 HA VAL 10 -9.922 -2.498 0.915
57 HB VAL 10 HB VAL 10 -10.102 -2.461 -1.514
58 HG11 VAL 10 1HG1 VAL 10 -8.701 -4.742 -1.575
59 HG12 VAL 10 2HG1 VAL 10 -9.705 -4.187 -2.913
60 HG13 VAL 10 3HG1 VAL 10 -10.327 -5.390 -1.783
61 HG21 VAL 10 3HG2 VAL 10 -11.953 -4.400 -0.147
62 HG22 VAL 10 1HG2 VAL 10 -12.236 -3.754 -1.763
63 HG23 VAL 10 2HG2 VAL 10 -12.177 -2.666 -0.375
64 H GLY 11 H GLY 11 -8.191 -5.471 0.344
65 HA2 GLY 11 2HA GLY 11 -10.076 -6.945 2.040
66 HA3 GLY 11 1HA GLY 11 -8.831 -7.661 1.028
67 H GLY 12 H GLY 12 -8.000 -4.928 2.975
68 HA2 GLY 12 2HA GLY 12 -6.599 -4.682 4.772
69 HA3 GLY 12 1HA GLY 12 -7.325 -6.154 5.392
70 H THR 13 H THR 13 -5.274 -5.613 2.531
71 HA THR 13 HA THR 13 -3.088 -7.022 3.789
72 HB THR 13 HB THR 13 -4.463 -8.846 2.913
73 HG1 THR 13 1HG THR 13 -2.497 -9.132 1.095
74 HG21 THR 13 3HG2 THR 13 -4.384 -7.210 0.447
75 HG22 THR 13 1HG2 THR 13 -5.668 -8.236 1.083
76 HG23 THR 13 2HG2 THR 13 -4.292 -8.960 0.252
77 H CYS 14 H CYS 14 -1.140 -6.935 2.584
78 HA CYS 14 HA CYS 14 -1.095 -4.999 0.376
79 HB2 CYS 14 2HB CYS 14 0.721 -5.003 2.797
80 HB3 CYS 14 1HB CYS 14 1.001 -4.039 1.350
81 H ASN 15 H ASN 15 0.352 -5.449 -1.229
82 HA ASN 15 HA ASN 15 1.519 -8.110 -1.159
83 HB2 ASN 15 2HB ASN 15 0.220 -7.480 -3.121
84 HB3 ASN 15 1HB ASN 15 1.268 -6.093 -3.399
85 HD21 ASN 15 1HD2 ASN 15 2.825 -6.358 -4.821
86 HD22 ASN 15 2HD2 ASN 15 3.497 -7.868 -5.323
87 H THR 16 H THR 16 2.578 -4.777 -1.773
88 HA THR 16 HA THR 16 5.320 -5.495 -2.083
89 HB THR 16 HB THR 16 4.381 -2.725 -1.403
90 HG1 THR 16 1HG THR 16 2.947 -3.337 -2.998
91 HG21 THR 16 3HG2 THR 16 6.813 -3.901 -2.281
92 HG22 THR 16 1HG2 THR 16 6.460 -2.194 -2.017
93 HG23 THR 16 2HG2 THR 16 6.187 -2.916 -3.603
94 HA PRO 17 HA PRO 17 6.111 -5.931 2.320
95 HB2 PRO 17 2HB PRO 17 8.879 -6.267 1.336
96 HB3 PRO 17 1HB PRO 17 7.910 -7.349 2.340
97 HG2 PRO 17 2HG PRO 17 8.437 -7.923 -0.221
98 HG3 PRO 17 1HG PRO 17 6.877 -8.329 0.519
99 HD2 PRO 17 2HD PRO 17 7.575 -6.071 -1.317
100 HD3 PRO 17 1HD PRO 17 6.115 -7.082 -1.278
101 H GLY 18 H GLY 18 6.533 -4.383 3.703
102 HA2 GLY 18 2HA GLY 18 8.035 -2.686 4.565
103 HA3 GLY 18 1HA GLY 18 8.380 -2.236 2.896
104 H CYS 19 H CYS 19 5.538 -2.551 2.126
105 HA CYS 19 HA CYS 19 4.705 0.080 3.088
106 HB2 CYS 19 2HB CYS 19 3.987 -1.595 0.724
107 HB3 CYS 19 1HB CYS 19 2.822 -0.402 1.296
108 H THR 20 H THR 20 3.161 0.410 4.488
109 HA THR 20 HA THR 20 1.791 -1.890 5.618
110 HB THR 20 HB THR 20 2.911 -0.304 7.140
111 HG1 THR 20 1HG THR 20 1.206 -0.221 8.603
112 HG21 THR 20 3HG2 THR 20 1.762 1.655 5.535
113 HG22 THR 20 1HG2 THR 20 2.642 1.912 7.044
114 HG23 THR 20 2HG2 THR 20 0.885 1.763 7.061
115 H CYS 21 H CYS 21 -0.482 -1.629 6.237
116 HA CYS 21 HA CYS 21 -2.017 -0.840 3.936
117 HB2 CYS 21 2HB CYS 21 -2.579 -2.912 5.064
118 HB3 CYS 21 1HB CYS 21 -2.847 -2.051 6.578
119 H SER 22 H SER 22 -3.085 0.977 3.653
120 HA SER 22 HA SER 22 -3.885 2.582 5.962
121 HB2 SER 22 2HB SER 22 -2.464 3.687 3.515
122 HB3 SER 22 1HB SER 22 -3.104 4.638 4.858
123 HG SER 22 HG SER 22 -1.545 2.757 5.878
124 H TRP 23 H TRP 23 -5.717 1.261 5.260
125 HA TRP 23 HA TRP 23 -7.141 0.990 3.107
126 HB2 TRP 23 2HB TRP 23 -7.804 0.628 5.592
127 HB3 TRP 23 1HB TRP 23 -8.631 2.172 5.420
128 HD1 TRP 23 HD TRP 23 -8.670 -1.390 3.942
129 HE1 TRP 23 1HE TRP 23 -11.018 -1.847 2.993
130 HE3 TRP 23 3HE TRP 23 -10.720 3.243 4.600
131 HZ2 TRP 23 2HZ TRP 23 -13.422 -0.423 2.574
132 HZ3 TRP 23 3HZ TRP 23 -13.047 3.616 3.896
133 HH2 TRP 23 HH TRP 23 -14.369 1.820 2.903
134 HA PRO 24 HA PRO 24 -8.338 0.870 1.849
135 HB2 PRO 24 2HB PRO 24 -9.308 1.358 -0.581
136 HB3 PRO 24 1HB PRO 24 -10.280 1.644 0.866
137 HG2 PRO 24 2HG PRO 24 -8.950 3.592 -0.930
138 HG3 PRO 24 1HG PRO 24 -10.411 3.782 0.050
139 HD2 PRO 24 2HD PRO 24 -7.753 4.627 0.686
140 HD3 PRO 24 1HD PRO 24 -9.203 4.749 1.701
141 H VAL 25 H VAL 25 -5.687 2.414 1.559
142 HA VAL 25 HA VAL 25 -4.707 0.806 -0.694
143 HB VAL 25 HB VAL 25 -3.282 2.743 -1.475
144 HG11 VAL 25 1HG1 VAL 25 -5.784 3.850 -2.206
145 HG12 VAL 25 2HG1 VAL 25 -5.987 2.104 -2.069
146 HG13 VAL 25 3HG1 VAL 25 -4.748 2.765 -3.135
147 HG21 VAL 25 3HG2 VAL 25 -3.281 4.572 -0.206
148 HG22 VAL 25 1HG2 VAL 25 -4.709 4.045 0.683
149 HG23 VAL 25 2HG2 VAL 25 -4.891 4.912 -0.843
150 H CYS 26 H CYS 26 -2.547 0.216 -0.607
151 HA CYS 26 HA CYS 26 -1.339 0.387 2.023
152 HB2 CYS 26 2HB CYS 26 -0.436 -1.008 -0.506
153 HB3 CYS 26 1HB CYS 26 0.369 -1.137 1.056
154 H THR 27 H THR 27 0.495 1.553 2.554
155 HA THR 27 HA THR 27 1.976 2.900 0.449
156 HB THR 27 HB THR 27 0.037 4.407 0.959
157 HG1 THR 27 1HG THR 27 1.321 6.246 1.028
158 HG21 THR 27 3HG2 THR 27 1.369 4.616 3.660
159 HG22 THR 27 1HG2 THR 27 -0.232 3.956 3.326
160 HG23 THR 27 2HG2 THR 27 0.082 5.672 3.075
161 H ARG 28 H ARG 28 3.466 4.637 1.897
162 HA ARG 28 HA ARG 28 5.027 2.843 3.567
163 HB2 ARG 28 2HB ARG 28 6.791 4.498 3.392
164 HB3 ARG 28 1HB ARG 28 6.145 4.174 1.791
165 HG2 ARG 28 2HG ARG 28 4.705 6.236 2.111
166 HG3 ARG 28 1HG ARG 28 5.713 6.592 3.514
167 HD2 ARG 28 2HD ARG 28 6.581 7.800 1.641
168 HD3 ARG 28 1HD ARG 28 7.705 6.499 2.029
169 HE ARG 28 HE ARG 28 7.390 5.716 -0.076
170 HH11 ARG 28 1HH1 ARG 28 4.540 7.562 0.792
171 HH12 ARG 28 2HH1 ARG 28 3.757 7.315 -0.733
172 HH21 ARG 28 1HH2 ARG 28 6.362 5.400 -2.102
173 HH22 ARG 28 2HH2 ARG 28 4.793 6.088 -2.376
174 H ASN 29 H ASN 29 5.282 3.106 5.739
175 HA ASN 29 HA ASN 29 3.379 4.839 7.014
176 HB2 ASN 29 2HB ASN 29 3.939 2.502 7.815
177 HB3 ASN 29 1HB ASN 29 5.484 3.139 8.368
178 HD21 ASN 29 1HD2 ASN 29 2.837 5.303 8.588
179 HD22 ASN 29 2HD2 ASN 29 2.566 5.141 10.286
Start of MODEL 10
1 H1 GLY 1 H GLY 1 4.639 10.969 -7.555
2 HA2 GLY 1 2HA GLY 1 7.143 11.008 -9.120
3 HA3 GLY 1 1HA GLY 1 7.110 11.030 -7.361
4 H LEU 2 H LEU 2 5.171 9.122 -9.590
5 HA LEU 2 HA LEU 2 4.962 6.907 -9.995
6 HB2 LEU 2 2HB LEU 2 7.719 6.893 -8.822
7 HB3 LEU 2 1HB LEU 2 6.893 5.383 -9.145
8 HG LEU 2 HG LEU 2 6.650 6.146 -11.542
9 HD11 LEU 2 1HD1 LEU 2 8.918 7.980 -11.273
10 HD12 LEU 2 2HD1 LEU 2 7.394 8.588 -10.623
11 HD13 LEU 2 3HD1 LEU 2 7.493 8.073 -12.307
12 HD21 LEU 2 3HD2 LEU 2 9.176 5.804 -11.977
13 HD22 LEU 2 1HD2 LEU 2 8.249 4.508 -11.219
14 HD23 LEU 2 2HD2 LEU 2 9.271 5.554 -10.233
15 HA PRO 3 HA PRO 3 2.877 5.540 -6.374
16 HB2 PRO 3 2HB PRO 3 2.837 2.847 -7.557
17 HB3 PRO 3 1HB PRO 3 1.489 3.923 -7.175
18 HG2 PRO 3 2HG PRO 3 2.234 3.422 -9.711
19 HG3 PRO 3 1HG PRO 3 1.598 5.001 -9.210
20 HD2 PRO 3 2HD PRO 3 4.432 4.165 -9.701
21 HD3 PRO 3 1HD PRO 3 3.613 5.683 -10.131
22 H VAL 4 H VAL 4 3.865 5.157 -4.505
23 HA VAL 4 HA VAL 4 6.344 3.896 -4.236
24 HB VAL 4 HB VAL 4 5.814 3.965 -1.779
25 HG11 VAL 4 1HG1 VAL 4 6.951 5.784 -3.049
26 HG12 VAL 4 2HG1 VAL 4 6.077 6.337 -1.622
27 HG13 VAL 4 3HG1 VAL 4 5.380 6.566 -3.225
28 HG21 VAL 4 3HG2 VAL 4 3.691 4.123 -1.141
29 HG22 VAL 4 1HG2 VAL 4 3.174 4.406 -2.804
30 HG23 VAL 4 2HG2 VAL 4 3.668 5.762 -1.792
31 H CYS 5 H CYS 5 3.102 2.716 -3.985
32 HA CYS 5 HA CYS 5 4.126 -0.003 -3.697
33 HB2 CYS 5 2HB CYS 5 1.774 1.106 -2.160
34 HB3 CYS 5 1HB CYS 5 2.320 -0.562 -2.129
35 H GLY 6 H GLY 6 1.215 1.910 -4.218
36 HA2 GLY 6 2HA GLY 6 -0.206 1.900 -6.066
37 HA3 GLY 6 1HA GLY 6 0.703 0.547 -6.720
38 H GLU 7 H GLU 7 0.508 -1.220 -4.564
39 HA GLU 7 HA GLU 7 -1.871 -2.544 -5.085
40 HB2 GLU 7 2HB GLU 7 -0.215 -2.728 -2.573
41 HB3 GLU 7 1HB GLU 7 -1.359 -3.928 -3.146
42 HG2 GLU 7 2HG GLU 7 0.015 -4.420 -5.045
43 HG3 GLU 7 1HG GLU 7 1.114 -3.101 -4.644
44 H THR 8 H THR 8 -3.847 -2.590 -4.187
45 HA THR 8 HA THR 8 -4.518 -0.440 -2.350
46 HB THR 8 HB THR 8 -6.894 -1.248 -2.931
47 HG1 THR 8 1HG THR 8 -6.359 -2.124 -5.346
48 HG21 THR 8 3HG2 THR 8 -7.007 0.243 -4.731
49 HG22 THR 8 1HG2 THR 8 -5.384 -0.168 -5.287
50 HG23 THR 8 2HG2 THR 8 -5.597 0.793 -3.823
51 H CYS 9 H CYS 9 -4.971 -0.816 -0.281
52 HA CYS 9 HA CYS 9 -4.989 -3.559 0.687
53 HB2 CYS 9 2HB CYS 9 -3.654 -1.708 1.783
54 HB3 CYS 9 1HB CYS 9 -5.192 -1.045 2.324
55 H VAL 10 H VAL 10 -7.204 -2.817 -0.852
56 HA VAL 10 HA VAL 10 -9.390 -1.949 0.671
57 HB VAL 10 HB VAL 10 -9.444 -1.906 -1.765
58 HG11 VAL 10 1HG1 VAL 10 -8.405 -3.721 -2.657
59 HG12 VAL 10 2HG1 VAL 10 -10.077 -4.255 -2.807
60 HG13 VAL 10 3HG1 VAL 10 -9.084 -4.836 -1.471
61 HG21 VAL 10 3HG2 VAL 10 -11.550 -2.095 -0.355
62 HG22 VAL 10 1HG2 VAL 10 -11.620 -3.777 -0.881
63 HG23 VAL 10 2HG2 VAL 10 -11.701 -2.476 -2.069
64 H GLY 11 H GLY 11 -7.999 -5.111 0.176
65 HA2 GLY 11 2HA GLY 11 -10.125 -6.357 1.762
66 HA3 GLY 11 1HA GLY 11 -8.890 -7.208 0.845
67 H GLY 12 H GLY 12 -7.952 -4.543 2.838
68 HA2 GLY 12 2HA GLY 12 -6.695 -4.401 4.747
69 HA3 GLY 12 1HA GLY 12 -7.545 -5.836 5.291
70 H THR 13 H THR 13 -5.360 -5.497 2.516
71 HA THR 13 HA THR 13 -3.278 -6.939 3.905
72 HB THR 13 HB THR 13 -4.690 -8.747 3.104
73 HG1 THR 13 1HG THR 13 -2.476 -8.734 1.348
74 HG21 THR 13 3HG2 THR 13 -5.798 -8.620 1.180
75 HG22 THR 13 1HG2 THR 13 -4.268 -8.652 0.302
76 HG23 THR 13 2HG2 THR 13 -4.969 -7.111 0.797
77 H CYS 14 H CYS 14 -1.299 -6.961 2.819
78 HA CYS 14 HA CYS 14 -1.044 -5.343 0.395
79 HB2 CYS 14 2HB CYS 14 0.538 -4.880 2.940
80 HB3 CYS 14 1HB CYS 14 0.914 -4.151 1.384
81 H ASN 15 H ASN 15 0.512 -6.099 -0.966
82 HA ASN 15 HA ASN 15 1.752 -8.631 -0.214
83 HB2 ASN 15 2HB ASN 15 0.627 -8.770 -2.276
84 HB3 ASN 15 1HB ASN 15 1.255 -7.221 -2.824
85 HD21 ASN 15 1HD2 ASN 15 2.883 -7.247 -4.164
86 HD22 ASN 15 2HD2 ASN 15 3.941 -8.590 -4.450
87 H THR 16 H THR 16 2.711 -5.481 -1.569
88 HA THR 16 HA THR 16 5.470 -6.071 -1.688
89 HB THR 16 HB THR 16 4.128 -3.368 -1.492
90 HG1 THR 16 1HG THR 16 3.593 -4.797 -3.343
91 HG21 THR 16 3HG2 THR 16 6.234 -2.623 -1.238
92 HG22 THR 16 1HG2 THR 16 6.440 -3.053 -2.937
93 HG23 THR 16 2HG2 THR 16 6.935 -4.182 -1.675
94 HA PRO 17 HA PRO 17 6.299 -6.023 2.712
95 HB2 PRO 17 2HB PRO 17 9.095 -6.191 1.762
96 HB3 PRO 17 1HB PRO 17 8.208 -7.278 2.835
97 HG2 PRO 17 2HG PRO 17 8.817 -7.983 0.323
98 HG3 PRO 17 1HG PRO 17 7.294 -8.478 1.083
99 HD2 PRO 17 2HD PRO 17 7.803 -6.301 -0.906
100 HD3 PRO 17 1HD PRO 17 6.441 -7.436 -0.800
101 H GLY 18 H GLY 18 6.457 -4.257 3.890
102 HA2 GLY 18 2HA GLY 18 7.795 -2.376 4.638
103 HA3 GLY 18 1HA GLY 18 8.227 -2.096 2.953
104 H CYS 19 H CYS 19 5.296 -2.822 2.329
105 HA CYS 19 HA CYS 19 4.372 -0.073 2.558
106 HB2 CYS 19 2HB CYS 19 3.217 -2.462 1.112
107 HB3 CYS 19 1HB CYS 19 2.495 -0.857 1.102
108 H THR 20 H THR 20 3.045 0.617 4.046
109 HA THR 20 HA THR 20 1.792 -1.286 5.866
110 HB THR 20 HB THR 20 1.733 1.717 6.101
111 HG1 THR 20 1HG THR 20 3.904 0.241 6.052
112 HG21 THR 20 3HG2 THR 20 1.829 0.940 8.594
113 HG22 THR 20 1HG2 THR 20 1.267 -0.598 7.939
114 HG23 THR 20 2HG2 THR 20 0.304 0.861 7.711
115 H CYS 21 H CYS 21 -0.425 -1.328 6.243
116 HA CYS 21 HA CYS 21 -2.034 -0.725 3.974
117 HB2 CYS 21 2HB CYS 21 -2.436 -2.726 5.330
118 HB3 CYS 21 1HB CYS 21 -2.849 -1.713 6.711
119 H SER 22 H SER 22 -3.258 0.953 3.564
120 HA SER 22 HA SER 22 -4.177 2.702 5.708
121 HB2 SER 22 2HB SER 22 -2.738 3.698 3.224
122 HB3 SER 22 1HB SER 22 -3.496 4.714 4.451
123 HG SER 22 HG SER 22 -1.885 3.091 5.736
124 H TRP 23 H TRP 23 -5.909 1.218 5.051
125 HA TRP 23 HA TRP 23 -7.218 0.724 2.852
126 HB2 TRP 23 2HB TRP 23 -7.949 0.417 5.320
127 HB3 TRP 23 1HB TRP 23 -8.859 1.901 5.066
128 HD1 TRP 23 HD TRP 23 -8.683 -1.732 3.821
129 HE1 TRP 23 1HE TRP 23 -10.953 -2.356 2.781
130 HE3 TRP 23 3HE TRP 23 -10.934 2.847 4.018
131 HZ2 TRP 23 2HZ TRP 23 -13.381 -1.067 2.132
132 HZ3 TRP 23 3HZ TRP 23 -13.234 3.069 3.167
133 HH2 TRP 23 HH TRP 23 -14.429 1.152 2.241
134 HA PRO 24 HA PRO 24 -8.274 0.474 1.515
135 HB2 PRO 24 2HB PRO 24 -9.218 0.810 -0.952
136 HB3 PRO 24 1HB PRO 24 -10.254 1.023 0.463
137 HG2 PRO 24 2HG PRO 24 -9.123 3.056 -1.362
138 HG3 PRO 24 1HG PRO 24 -10.580 3.129 -0.360
139 HD2 PRO 24 2HD PRO 24 -7.966 4.193 0.215
140 HD3 PRO 24 1HD PRO 24 -9.434 4.293 1.207
141 H VAL 25 H VAL 25 -5.766 2.198 1.301
142 HA VAL 25 HA VAL 25 -4.615 0.749 -0.989
143 HB VAL 25 HB VAL 25 -3.282 2.771 -1.629
144 HG11 VAL 25 1HG1 VAL 25 -6.152 2.370 -2.076
145 HG12 VAL 25 2HG1 VAL 25 -4.837 2.567 -3.233
146 HG13 VAL 25 3HG1 VAL 25 -5.558 3.982 -2.469
147 HG21 VAL 25 3HG2 VAL 25 -4.972 4.835 -0.789
148 HG22 VAL 25 1HG2 VAL 25 -3.308 4.540 -0.283
149 HG23 VAL 25 2HG2 VAL 25 -4.646 3.873 0.653
150 H CYS 26 H CYS 26 -2.437 0.233 -0.855
151 HA CYS 26 HA CYS 26 -1.314 0.306 1.821
152 HB2 CYS 26 2HB CYS 26 -0.230 -0.915 -0.734
153 HB3 CYS 26 1HB CYS 26 0.452 -1.134 0.874
154 H THR 27 H THR 27 0.201 1.739 2.492
155 HA THR 27 HA THR 27 1.411 3.473 0.438
156 HB THR 27 HB THR 27 -0.105 4.605 2.102
157 HG1 THR 27 1HG THR 27 1.381 6.321 2.440
158 HG21 THR 27 3HG2 THR 27 0.378 3.372 4.106
159 HG22 THR 27 1HG2 THR 27 0.884 5.043 4.356
160 HG23 THR 27 2HG2 THR 27 2.087 3.799 4.013
161 H ARG 28 H ARG 28 3.550 4.476 1.358
162 HA ARG 28 HA ARG 28 5.238 2.216 2.066
163 HB2 ARG 28 2HB ARG 28 7.121 3.620 1.478
164 HB3 ARG 28 1HB ARG 28 5.921 3.710 0.195
165 HG2 ARG 28 2HG ARG 28 5.301 5.880 0.755
166 HG3 ARG 28 1HG ARG 28 6.002 5.763 2.371
167 HD2 ARG 28 2HD ARG 28 8.251 5.606 1.300
168 HD3 ARG 28 1HD ARG 28 7.478 5.927 -0.252
169 HE ARG 28 HE ARG 28 7.467 8.130 0.293
170 HH11 ARG 28 1HH1 ARG 28 7.646 6.307 3.293
171 HH12 ARG 28 2HH1 ARG 28 7.733 7.719 4.289
172 HH21 ARG 28 1HH2 ARG 28 7.587 9.993 1.620
173 HH22 ARG 28 2HH2 ARG 28 7.702 9.815 3.339
174 H ASN 29 H ASN 29 6.309 2.039 3.989
175 HA ASN 29 HA ASN 29 5.351 3.764 6.089
176 HB2 ASN 29 2HB ASN 29 5.589 1.286 6.378
177 HB3 ASN 29 1HB ASN 29 7.335 1.488 6.303
178 HD21 ASN 29 1HD2 ASN 29 4.694 1.317 8.297
179 HD22 ASN 29 2HD2 ASN 29 5.401 1.965 9.738
Start of MODEL 11
1 H1 GLY 1 H GLY 1 10.491 6.631 -9.245
2 HA2 GLY 1 2HA GLY 1 9.141 8.689 -9.990
3 HA3 GLY 1 1HA GLY 1 9.312 7.970 -11.585
4 H LEU 2 H LEU 2 9.035 5.282 -10.860
5 HA LEU 2 HA LEU 2 6.187 5.100 -10.716
6 HB2 LEU 2 2HB LEU 2 8.363 3.016 -10.805
7 HB3 LEU 2 1HB LEU 2 6.667 2.598 -10.682
8 HG LEU 2 HG LEU 2 6.346 3.932 -12.846
9 HD11 LEU 2 1HD1 LEU 2 8.962 3.406 -13.850
10 HD12 LEU 2 2HD1 LEU 2 9.086 4.451 -12.435
11 HD13 LEU 2 3HD1 LEU 2 8.077 4.930 -13.798
12 HD21 LEU 2 3HD2 LEU 2 8.075 1.508 -13.186
13 HD22 LEU 2 1HD2 LEU 2 6.680 2.021 -14.135
14 HD23 LEU 2 2HD2 LEU 2 6.453 1.394 -12.503
15 HA PRO 3 HA PRO 3 5.793 4.828 -6.319
16 HB2 PRO 3 2HB PRO 3 3.372 3.564 -6.220
17 HB3 PRO 3 1HB PRO 3 3.561 5.287 -6.559
18 HG2 PRO 3 2HG PRO 3 3.137 3.014 -8.458
19 HG3 PRO 3 1HG PRO 3 2.418 4.636 -8.472
20 HD2 PRO 3 2HD PRO 3 4.469 3.957 -10.091
21 HD3 PRO 3 1HD PRO 3 4.285 5.594 -9.431
22 H VAL 4 H VAL 4 6.482 3.409 -4.839
23 HA VAL 4 HA VAL 4 7.315 0.820 -5.599
24 HB VAL 4 HB VAL 4 8.532 2.062 -3.925
25 HG11 VAL 4 1HG1 VAL 4 7.624 2.305 -1.619
26 HG12 VAL 4 2HG1 VAL 4 6.044 1.859 -2.265
27 HG13 VAL 4 3HG1 VAL 4 6.851 3.321 -2.836
28 HG21 VAL 4 3HG2 VAL 4 9.151 -0.044 -3.466
29 HG22 VAL 4 1HG2 VAL 4 7.485 -0.618 -3.380
30 HG23 VAL 4 2HG2 VAL 4 8.211 0.194 -1.992
31 H CYS 5 H CYS 5 4.717 1.958 -3.539
32 HA CYS 5 HA CYS 5 3.634 -0.721 -3.240
33 HB2 CYS 5 2HB CYS 5 2.325 1.840 -2.324
34 HB3 CYS 5 1HB CYS 5 2.051 0.211 -1.723
35 H GLY 6 H GLY 6 1.266 -1.044 -3.720
36 HA2 GLY 6 2HA GLY 6 0.029 0.658 -5.670
37 HA3 GLY 6 1HA GLY 6 0.737 -0.766 -6.414
38 H GLU 7 H GLU 7 0.181 -2.403 -4.024
39 HA GLU 7 HA GLU 7 -2.311 -3.433 -4.806
40 HB2 GLU 7 2HB GLU 7 -2.151 -4.820 -2.742
41 HB3 GLU 7 1HB GLU 7 -0.720 -4.888 -3.758
42 HG2 GLU 7 2HG GLU 7 -0.906 -3.034 -1.411
43 HG3 GLU 7 1HG GLU 7 -0.388 -4.710 -1.241
44 H THR 8 H THR 8 -4.319 -3.318 -3.937
45 HA THR 8 HA THR 8 -4.895 -0.936 -2.424
46 HB THR 8 HB THR 8 -7.303 -1.860 -2.760
47 HG1 THR 8 1HG THR 8 -6.955 -3.111 -4.970
48 HG21 THR 8 3HG2 THR 8 -7.354 -0.933 -5.057
49 HG22 THR 8 1HG2 THR 8 -5.590 -0.936 -5.067
50 HG23 THR 8 2HG2 THR 8 -6.463 0.090 -3.930
51 H CYS 9 H CYS 9 -5.356 -0.857 -0.341
52 HA CYS 9 HA CYS 9 -5.176 -3.228 1.293
53 HB2 CYS 9 2HB CYS 9 -4.111 -1.165 2.004
54 HB3 CYS 9 1HB CYS 9 -5.651 -0.324 1.954
55 H VAL 10 H VAL 10 -7.505 -2.665 -0.580
56 HA VAL 10 HA VAL 10 -9.805 -2.077 0.874
57 HB VAL 10 HB VAL 10 -9.591 -3.929 -1.507
58 HG11 VAL 10 1HG1 VAL 10 -11.811 -4.099 -1.516
59 HG12 VAL 10 2HG1 VAL 10 -12.013 -2.362 -1.291
60 HG13 VAL 10 3HG1 VAL 10 -11.788 -3.411 0.108
61 HG21 VAL 10 3HG2 VAL 10 -9.737 -0.949 -1.269
62 HG22 VAL 10 1HG2 VAL 10 -10.384 -1.770 -2.691
63 HG23 VAL 10 2HG2 VAL 10 -8.679 -1.939 -2.273
64 H GLY 11 H GLY 11 -8.115 -5.098 0.355
65 HA2 GLY 11 2HA GLY 11 -10.014 -6.474 2.127
66 HA3 GLY 11 1HA GLY 11 -8.875 -7.263 1.044
67 H GLY 12 H GLY 12 -7.810 -4.573 2.941
68 HA2 GLY 12 2HA GLY 12 -6.266 -4.391 4.623
69 HA3 GLY 12 1HA GLY 12 -7.040 -5.808 5.313
70 H THR 13 H THR 13 -4.988 -5.244 2.426
71 HA THR 13 HA THR 13 -2.958 -6.962 3.562
72 HB THR 13 HB THR 13 -4.480 -8.566 2.542
73 HG1 THR 13 1HG THR 13 -2.885 -9.691 1.547
74 HG21 THR 13 3HG2 THR 13 -4.368 -8.505 -0.101
75 HG22 THR 13 1HG2 THR 13 -4.203 -6.774 0.189
76 HG23 THR 13 2HG2 THR 13 -5.619 -7.638 0.790
77 H CYS 14 H CYS 14 -0.989 -6.896 2.504
78 HA CYS 14 HA CYS 14 -0.642 -5.051 0.268
79 HB2 CYS 14 2HB CYS 14 0.901 -4.811 2.866
80 HB3 CYS 14 1HB CYS 14 1.226 -3.898 1.399
81 H ASN 15 H ASN 15 0.918 -5.750 -1.118
82 HA ASN 15 HA ASN 15 2.254 -8.254 -0.426
83 HB2 ASN 15 2HB ASN 15 2.014 -6.837 -3.090
84 HB3 ASN 15 1HB ASN 15 2.731 -8.424 -2.836
85 HD21 ASN 15 1HD2 ASN 15 0.028 -6.865 -3.803
86 HD22 ASN 15 2HD2 ASN 15 -1.143 -8.103 -3.527
87 H THR 16 H THR 16 3.014 -5.046 -1.720
88 HA THR 16 HA THR 16 5.790 -5.429 -1.933
89 HB THR 16 HB THR 16 4.438 -2.779 -1.434
90 HG1 THR 16 1HG THR 16 3.291 -3.730 -3.106
91 HG21 THR 16 3HG2 THR 16 6.872 -3.547 -3.053
92 HG22 THR 16 1HG2 THR 16 6.898 -2.779 -1.463
93 HG23 THR 16 2HG2 THR 16 6.231 -1.916 -2.849
94 HA PRO 17 HA PRO 17 6.889 -5.548 2.381
95 HB2 PRO 17 2HB PRO 17 9.596 -5.210 1.922
96 HB3 PRO 17 1HB PRO 17 8.754 -6.761 1.885
97 HG2 PRO 17 2HG PRO 17 9.550 -4.979 -0.376
98 HG3 PRO 17 1HG PRO 17 9.584 -6.749 -0.274
99 HD2 PRO 17 2HD PRO 17 7.653 -5.448 -1.615
100 HD3 PRO 17 1HD PRO 17 7.319 -6.943 -0.715
101 H GLY 18 H GLY 18 6.941 -3.996 3.839
102 HA2 GLY 18 2HA GLY 18 7.685 -2.002 4.829
103 HA3 GLY 18 1HA GLY 18 8.310 -1.488 3.269
104 H CYS 19 H CYS 19 5.428 -2.522 2.338
105 HA CYS 19 HA CYS 19 4.313 0.161 2.564
106 HB2 CYS 19 2HB CYS 19 3.360 -2.249 1.000
107 HB3 CYS 19 1HB CYS 19 2.596 -0.663 0.964
108 H THR 20 H THR 20 2.900 0.719 3.999
109 HA THR 20 HA THR 20 1.711 -1.262 5.756
110 HB THR 20 HB THR 20 1.233 1.691 5.962
111 HG1 THR 20 1HG THR 20 3.658 0.338 6.216
112 HG21 THR 20 3HG2 THR 20 1.870 -0.163 8.218
113 HG22 THR 20 1HG2 THR 20 0.268 -0.213 7.481
114 HG23 THR 20 2HG2 THR 20 0.859 1.282 8.205
115 H CYS 21 H CYS 21 -0.463 -1.587 5.983
116 HA CYS 21 HA CYS 21 -2.101 -1.119 3.694
117 HB2 CYS 21 2HB CYS 21 -2.043 -3.024 5.595
118 HB3 CYS 21 1HB CYS 21 -3.276 -1.989 6.296
119 H SER 22 H SER 22 -3.174 0.763 3.302
120 HA SER 22 HA SER 22 -4.225 2.265 5.588
121 HB2 SER 22 2HB SER 22 -2.751 3.496 3.241
122 HB3 SER 22 1HB SER 22 -3.478 4.373 4.588
123 HG SER 22 HG SER 22 -1.915 2.572 5.663
124 H TRP 23 H TRP 23 -5.996 0.953 4.812
125 HA TRP 23 HA TRP 23 -7.376 0.661 2.638
126 HB2 TRP 23 2HB TRP 23 -8.114 0.333 5.088
127 HB3 TRP 23 1HB TRP 23 -8.872 1.911 4.917
128 HD1 TRP 23 HD TRP 23 -9.107 -1.671 3.571
129 HE1 TRP 23 1HE TRP 23 -11.445 -2.020 2.556
130 HE3 TRP 23 3HE TRP 23 -10.837 3.121 3.888
131 HZ2 TRP 23 2HZ TRP 23 -13.723 -0.458 1.960
132 HZ3 TRP 23 3HZ TRP 23 -13.105 3.615 3.072
133 HH2 TRP 23 HH TRP 23 -14.517 1.862 2.126
134 HA PRO 24 HA PRO 24 -8.460 0.545 1.299
135 HB2 PRO 24 2HB PRO 24 -9.334 1.026 -1.168
136 HB3 PRO 24 1HB PRO 24 -10.369 1.298 0.239
137 HG2 PRO 24 2HG PRO 24 -8.997 3.264 -1.505
138 HG3 PRO 24 1HG PRO 24 -10.489 3.439 -0.570
139 HD2 PRO 24 2HD PRO 24 -7.849 4.293 0.148
140 HD3 PRO 24 1HD PRO 24 -9.337 4.428 1.108
141 H VAL 25 H VAL 25 -5.832 2.179 1.098
142 HA VAL 25 HA VAL 25 -4.703 0.549 -1.070
143 HB VAL 25 HB VAL 25 -3.340 2.528 -1.871
144 HG11 VAL 25 1HG1 VAL 25 -5.465 1.514 -2.948
145 HG12 VAL 25 2HG1 VAL 25 -4.867 3.070 -3.522
146 HG13 VAL 25 3HG1 VAL 25 -6.241 3.007 -2.418
147 HG21 VAL 25 3HG2 VAL 25 -3.486 4.371 -0.618
148 HG22 VAL 25 1HG2 VAL 25 -4.987 3.840 0.143
149 HG23 VAL 25 2HG2 VAL 25 -5.030 4.648 -1.424
150 H CYS 26 H CYS 26 -2.493 0.102 -0.920
151 HA CYS 26 HA CYS 26 -1.392 0.428 1.744
152 HB2 CYS 26 2HB CYS 26 -0.319 -1.013 -0.690
153 HB3 CYS 26 1HB CYS 26 0.431 -1.032 0.905
154 H THR 27 H THR 27 0.424 1.643 2.269
155 HA THR 27 HA THR 27 1.793 3.089 0.138
156 HB THR 27 HB THR 27 -0.113 4.544 0.770
157 HG1 THR 27 1HG THR 27 1.140 6.392 0.988
158 HG21 THR 27 3HG2 THR 27 1.196 4.618 3.490
159 HG22 THR 27 1HG2 THR 27 -0.348 3.855 3.108
160 HG23 THR 27 2HG2 THR 27 -0.171 5.606 2.970
161 H ARG 28 H ARG 28 3.311 4.816 1.686
162 HA ARG 28 HA ARG 28 4.916 2.890 3.207
163 HB2 ARG 28 2HB ARG 28 5.682 5.687 2.348
164 HB3 ARG 28 1HB ARG 28 6.752 4.449 2.991
165 HG2 ARG 28 2HG ARG 28 5.316 4.381 0.347
166 HG3 ARG 28 1HG ARG 28 7.040 4.646 0.606
167 HD2 ARG 28 2HD ARG 28 5.595 2.142 1.447
168 HD3 ARG 28 1HD ARG 28 6.387 2.325 -0.115
169 HE ARG 28 HE ARG 28 8.166 2.925 2.019
170 HH11 ARG 28 1HH1 ARG 28 6.653 0.263 0.314
171 HH12 ARG 28 2HH1 ARG 28 7.905 -0.876 0.708
172 HH21 ARG 28 1HH2 ARG 28 9.832 1.427 2.530
173 HH22 ARG 28 2HH2 ARG 28 9.717 -0.205 1.959
174 H ASN 29 H ASN 29 2.639 3.603 4.471
175 HA ASN 29 HA ASN 29 1.766 4.400 6.402
176 HB2 ASN 29 2HB ASN 29 3.779 3.203 7.308
177 HB3 ASN 29 1HB ASN 29 4.640 4.738 7.282
178 HD21 ASN 29 1HD2 ASN 29 1.335 5.072 8.007
179 HD22 ASN 29 2HD2 ASN 29 1.489 5.223 9.719
Start of MODEL 12
1 H1 GLY 1 H GLY 1 6.190 10.290 -11.508
2 HA2 GLY 1 2HA GLY 1 5.447 10.441 -8.654
3 HA3 GLY 1 1HA GLY 1 4.299 10.786 -9.939
4 H LEU 2 H LEU 2 6.719 8.227 -9.766
5 HA LEU 2 HA LEU 2 4.816 6.250 -10.561
6 HB2 LEU 2 2HB LEU 2 7.690 6.063 -9.668
7 HB3 LEU 2 1HB LEU 2 6.740 4.656 -10.098
8 HG LEU 2 HG LEU 2 6.392 5.782 -12.371
9 HD11 LEU 2 1HD1 LEU 2 7.613 7.588 -13.013
10 HD12 LEU 2 2HD1 LEU 2 8.919 7.251 -11.877
11 HD13 LEU 2 3HD1 LEU 2 7.417 7.979 -11.305
12 HD21 LEU 2 3HD2 LEU 2 8.262 4.021 -11.441
13 HD22 LEU 2 1HD2 LEU 2 9.257 5.249 -12.223
14 HD23 LEU 2 2HD2 LEU 2 7.993 4.425 -13.136
15 HA PRO 3 HA PRO 3 3.261 5.261 -6.537
16 HB2 PRO 3 2HB PRO 3 2.632 2.616 -7.685
17 HB3 PRO 3 1HB PRO 3 1.548 3.830 -6.999
18 HG2 PRO 3 2HG PRO 3 1.628 3.354 -9.636
19 HG3 PRO 3 1HG PRO 3 1.364 4.985 -8.990
20 HD2 PRO 3 2HD PRO 3 3.860 3.774 -10.116
21 HD3 PRO 3 1HD PRO 3 3.200 5.408 -10.339
22 H VAL 4 H VAL 4 4.603 4.787 -4.936
23 HA VAL 4 HA VAL 4 6.851 3.110 -5.150
24 HB VAL 4 HB VAL 4 5.481 4.029 -2.620
25 HG11 VAL 4 1HG1 VAL 4 7.547 2.235 -2.891
26 HG12 VAL 4 2HG1 VAL 4 7.178 3.176 -1.447
27 HG13 VAL 4 3HG1 VAL 4 8.380 3.761 -2.596
28 HG21 VAL 4 3HG2 VAL 4 6.617 5.599 -4.617
29 HG22 VAL 4 1HG2 VAL 4 7.850 5.500 -3.360
30 HG23 VAL 4 2HG2 VAL 4 6.237 6.090 -2.967
31 H CYS 5 H CYS 5 3.627 2.584 -3.915
32 HA CYS 5 HA CYS 5 4.316 -0.190 -3.305
33 HB2 CYS 5 2HB CYS 5 1.922 1.438 -2.463
34 HB3 CYS 5 1HB CYS 5 2.201 -0.246 -2.028
35 H GLY 6 H GLY 6 1.664 1.646 -4.746
36 HA2 GLY 6 2HA GLY 6 0.253 1.166 -6.496
37 HA3 GLY 6 1HA GLY 6 1.496 0.061 -7.067
38 H GLU 7 H GLU 7 -0.475 0.054 -4.115
39 HA GLU 7 HA GLU 7 -1.904 -2.306 -5.006
40 HB2 GLU 7 2HB GLU 7 0.091 -3.272 -4.018
41 HB3 GLU 7 1HB GLU 7 -0.120 -2.309 -2.570
42 HG2 GLU 7 2HG GLU 7 -0.769 -4.608 -2.189
43 HG3 GLU 7 1HG GLU 7 -2.155 -3.529 -2.038
44 H THR 8 H THR 8 -3.733 -2.738 -3.812
45 HA THR 8 HA THR 8 -4.637 -0.510 -2.119
46 HB THR 8 HB THR 8 -6.940 -1.422 -2.735
47 HG1 THR 8 1HG THR 8 -5.399 -3.194 -4.038
48 HG21 THR 8 3HG2 THR 8 -6.457 0.630 -3.688
49 HG22 THR 8 1HG2 THR 8 -6.728 -0.375 -5.113
50 HG23 THR 8 2HG2 THR 8 -5.084 -0.003 -4.593
51 H CYS 9 H CYS 9 -5.113 -0.927 -0.056
52 HA CYS 9 HA CYS 9 -4.992 -3.681 0.885
53 HB2 CYS 9 2HB CYS 9 -3.754 -1.802 2.024
54 HB3 CYS 9 1HB CYS 9 -5.323 -1.185 2.529
55 H VAL 10 H VAL 10 -7.220 -3.006 -0.677
56 HA VAL 10 HA VAL 10 -9.459 -2.265 0.827
57 HB VAL 10 HB VAL 10 -9.487 -2.178 -1.603
58 HG11 VAL 10 1HG1 VAL 10 -8.445 -3.876 -2.635
59 HG12 VAL 10 2HG1 VAL 10 -10.036 -4.637 -2.594
60 HG13 VAL 10 3HG1 VAL 10 -8.838 -5.030 -1.359
61 HG21 VAL 10 3HG2 VAL 10 -11.663 -2.160 -0.948
62 HG22 VAL 10 1HG2 VAL 10 -11.550 -3.722 -0.137
63 HG23 VAL 10 2HG2 VAL 10 -11.674 -3.647 -1.894
64 H GLY 11 H GLY 11 -7.972 -5.382 0.261
65 HA2 GLY 11 2HA GLY 11 -10.058 -6.698 1.852
66 HA3 GLY 11 1HA GLY 11 -8.843 -7.511 0.876
67 H GLY 12 H GLY 12 -7.997 -4.901 3.029
68 HA2 GLY 12 2HA GLY 12 -6.702 -4.827 4.920
69 HA3 GLY 12 1HA GLY 12 -7.461 -6.346 5.366
70 H THR 13 H THR 13 -5.369 -5.677 2.587
71 HA THR 13 HA THR 13 -3.160 -7.075 3.815
72 HB THR 13 HB THR 13 -4.558 -8.892 2.892
73 HG1 THR 13 1HG THR 13 -2.776 -9.918 2.354
74 HG21 THR 13 3HG2 THR 13 -4.315 -7.262 0.422
75 HG22 THR 13 1HG2 THR 13 -5.679 -8.203 1.024
76 HG23 THR 13 2HG2 THR 13 -4.314 -9.018 0.260
77 H CYS 14 H CYS 14 -1.231 -7.018 2.473
78 HA CYS 14 HA CYS 14 -1.250 -5.103 0.271
79 HB2 CYS 14 2HB CYS 14 0.375 -4.775 2.799
80 HB3 CYS 14 1HB CYS 14 0.758 -3.943 1.296
81 H ASN 15 H ASN 15 -0.153 -5.980 -1.340
82 HA ASN 15 HA ASN 15 1.547 -8.253 -0.895
83 HB2 ASN 15 2HB ASN 15 0.581 -6.799 -3.335
84 HB3 ASN 15 1HB ASN 15 1.870 -7.991 -3.461
85 HD21 ASN 15 1HD2 ASN 15 -1.377 -7.534 -3.671
86 HD22 ASN 15 2HD2 ASN 15 -1.899 -9.168 -3.402
87 H THR 16 H THR 16 2.017 -4.864 -1.731
88 HA THR 16 HA THR 16 4.739 -5.083 -2.454
89 HB THR 16 HB THR 16 3.712 -2.554 -1.254
90 HG1 THR 16 1HG THR 16 2.956 -2.779 -3.855
91 HG21 THR 16 3HG2 THR 16 5.936 -2.615 -2.244
92 HG22 THR 16 1HG2 THR 16 4.869 -1.610 -3.225
93 HG23 THR 16 2HG2 THR 16 5.270 -3.245 -3.751
94 HA PRO 17 HA PRO 17 6.314 -5.926 1.660
95 HB2 PRO 17 2HB PRO 17 8.890 -5.479 0.268
96 HB3 PRO 17 1HB PRO 17 8.350 -6.868 1.217
97 HG2 PRO 17 2HG PRO 17 8.521 -6.998 -1.446
98 HG3 PRO 17 1HG PRO 17 7.216 -7.814 -0.564
99 HD2 PRO 17 2HD PRO 17 7.150 -5.257 -2.117
100 HD3 PRO 17 1HD PRO 17 5.931 -6.546 -2.011
101 H GLY 18 H GLY 18 6.776 -4.612 3.281
102 HA2 GLY 18 2HA GLY 18 7.698 -2.812 4.415
103 HA3 GLY 18 1HA GLY 18 8.321 -2.201 2.891
104 H CYS 19 H CYS 19 5.210 -2.786 2.142
105 HA CYS 19 HA CYS 19 4.542 0.007 2.643
106 HB2 CYS 19 2HB CYS 19 3.228 -2.109 0.942
107 HB3 CYS 19 1HB CYS 19 2.577 -0.484 1.151
108 H THR 20 H THR 20 3.084 0.730 4.014
109 HA THR 20 HA THR 20 1.880 -1.141 5.883
110 HB THR 20 HB THR 20 1.600 1.855 5.968
111 HG1 THR 20 1HG THR 20 3.897 0.326 6.255
112 HG21 THR 20 3HG2 THR 20 0.306 0.628 7.602
113 HG22 THR 20 1HG2 THR 20 1.650 1.428 8.417
114 HG23 THR 20 2HG2 THR 20 1.725 -0.302 8.080
115 H CYS 21 H CYS 21 -0.350 -1.231 6.298
116 HA CYS 21 HA CYS 21 -1.998 -0.760 3.996
117 HB2 CYS 21 2HB CYS 21 -2.337 -2.794 5.251
118 HB3 CYS 21 1HB CYS 21 -2.624 -1.884 6.730
119 H SER 22 H SER 22 -3.258 0.919 3.610
120 HA SER 22 HA SER 22 -4.213 2.570 5.827
121 HB2 SER 22 2HB SER 22 -2.919 3.676 3.312
122 HB3 SER 22 1HB SER 22 -3.653 4.631 4.601
123 HG SER 22 HG SER 22 -1.942 3.054 5.785
124 H TRP 23 H TRP 23 -5.904 1.016 5.192
125 HA TRP 23 HA TRP 23 -7.278 0.535 3.026
126 HB2 TRP 23 2HB TRP 23 -7.900 0.089 5.490
127 HB3 TRP 23 1HB TRP 23 -8.853 1.562 5.361
128 HD1 TRP 23 HD TRP 23 -8.682 -2.015 3.977
129 HE1 TRP 23 1HE TRP 23 -10.977 -2.632 2.992
130 HE3 TRP 23 3HE TRP 23 -10.976 2.532 4.384
131 HZ2 TRP 23 2HZ TRP 23 -13.438 -1.351 2.459
132 HZ3 TRP 23 3HZ TRP 23 -13.301 2.754 3.611
133 HH2 TRP 23 HH TRP 23 -14.506 0.851 2.668
134 HA PRO 24 HA PRO 24 -8.371 0.282 1.723
135 HB2 PRO 24 2HB PRO 24 -9.415 0.657 -0.698
136 HB3 PRO 24 1HB PRO 24 -10.410 0.782 0.756
137 HG2 PRO 24 2HG PRO 24 -9.412 2.918 -1.032
138 HG3 PRO 24 1HG PRO 24 -10.850 2.894 -0.000
139 HD2 PRO 24 2HD PRO 24 -8.281 4.063 0.559
140 HD3 PRO 24 1HD PRO 24 -9.723 4.044 1.594
141 H VAL 25 H VAL 25 -5.981 2.195 1.465
142 HA VAL 25 HA VAL 25 -4.850 0.890 -0.924
143 HB VAL 25 HB VAL 25 -3.603 2.998 -1.468
144 HG11 VAL 25 1HG1 VAL 25 -6.296 2.280 -2.048
145 HG12 VAL 25 2HG1 VAL 25 -5.133 3.130 -3.065
146 HG13 VAL 25 3HG1 VAL 25 -6.180 4.039 -1.977
147 HG21 VAL 25 3HG2 VAL 25 -4.266 5.088 -0.595
148 HG22 VAL 25 1HG2 VAL 25 -4.048 4.031 0.801
149 HG23 VAL 25 2HG2 VAL 25 -5.671 4.391 0.212
150 H CYS 26 H CYS 26 -2.732 0.325 -0.868
151 HA CYS 26 HA CYS 26 -1.458 0.331 1.738
152 HB2 CYS 26 2HB CYS 26 -0.605 -0.908 -0.885
153 HB3 CYS 26 1HB CYS 26 0.205 -1.146 0.661
154 H THR 27 H THR 27 0.308 1.532 2.310
155 HA THR 27 HA THR 27 1.843 2.867 0.251
156 HB THR 27 HB THR 27 0.162 4.533 0.574
157 HG1 THR 27 1HG THR 27 1.651 6.155 1.755
158 HG21 THR 27 3HG2 THR 27 0.798 4.998 3.429
159 HG22 THR 27 1HG2 THR 27 -0.235 3.620 3.052
160 HG23 THR 27 2HG2 THR 27 -0.713 5.242 2.556
161 H ARG 28 H ARG 28 3.847 3.379 0.837
162 HA ARG 28 HA ARG 28 4.857 2.069 3.200
163 HB2 ARG 28 2HB ARG 28 5.960 1.892 0.969
164 HB3 ARG 28 1HB ARG 28 6.371 3.596 1.077
165 HG2 ARG 28 2HG ARG 28 7.801 3.203 2.952
166 HG3 ARG 28 1HG ARG 28 7.270 1.523 3.063
167 HD2 ARG 28 2HD ARG 28 8.686 2.714 0.683
168 HD3 ARG 28 1HD ARG 28 9.487 1.810 1.969
169 HE ARG 28 HE ARG 28 7.496 0.153 1.089
170 HH11 ARG 28 1HH1 ARG 28 10.172 1.797 -0.437
171 HH12 ARG 28 2HH1 ARG 28 10.436 0.560 -1.619
172 HH21 ARG 28 1HH2 ARG 28 7.847 -1.511 -0.453
173 HH22 ARG 28 2HH2 ARG 28 9.102 -1.322 -1.634
174 H ASN 29 H ASN 29 3.677 3.587 4.608
175 HA ASN 29 HA ASN 29 4.337 6.311 4.819
176 HB2 ASN 29 2HB ASN 29 2.348 5.464 5.892
177 HB3 ASN 29 1HB ASN 29 3.295 4.359 6.884
178 HD21 ASN 29 1HD2 ASN 29 3.517 4.995 8.892
179 HD22 ASN 29 2HD2 ASN 29 3.584 6.630 9.447
Start of MODEL 13
1 H1 GLY 1 H GLY 1 7.015 10.075 3.744
2 HA2 GLY 1 2HA GLY 1 5.277 7.775 3.547
3 HA3 GLY 1 1HA GLY 1 4.477 9.319 3.284
4 H LEU 2 H LEU 2 5.370 6.884 1.579
5 HA LEU 2 HA LEU 2 6.093 8.503 -0.728
6 HB2 LEU 2 2HB LEU 2 7.840 6.412 0.476
7 HB3 LEU 2 1HB LEU 2 7.777 6.536 -1.271
8 HG LEU 2 HG LEU 2 8.415 8.888 0.488
9 HD11 LEU 2 1HD1 LEU 2 10.732 7.981 -0.830
10 HD12 LEU 2 2HD1 LEU 2 10.024 6.580 -0.025
11 HD13 LEU 2 3HD1 LEU 2 10.420 8.026 0.905
12 HD21 LEU 2 3HD2 LEU 2 7.873 9.743 -1.573
13 HD22 LEU 2 1HD2 LEU 2 8.456 8.319 -2.436
14 HD23 LEU 2 2HD2 LEU 2 9.606 9.474 -1.761
15 HA PRO 3 HA PRO 3 3.127 5.721 -2.480
16 HB2 PRO 3 2HB PRO 3 3.221 6.674 -4.999
17 HB3 PRO 3 1HB PRO 3 2.476 7.582 -3.678
18 HG2 PRO 3 2HG PRO 3 5.196 7.894 -4.890
19 HG3 PRO 3 1HG PRO 3 4.028 9.146 -4.427
20 HD2 PRO 3 2HD PRO 3 6.162 8.446 -2.875
21 HD3 PRO 3 1HD PRO 3 4.637 9.070 -2.213
22 H VAL 4 H VAL 4 5.465 4.391 -2.037
23 HA VAL 4 HA VAL 4 6.745 3.497 -4.419
24 HB VAL 4 HB VAL 4 6.668 2.165 -1.707
25 HG11 VAL 4 1HG1 VAL 4 7.589 0.489 -2.907
26 HG12 VAL 4 2HG1 VAL 4 9.045 1.473 -2.763
27 HG13 VAL 4 3HG1 VAL 4 8.068 1.553 -4.229
28 HG21 VAL 4 3HG2 VAL 4 7.557 4.585 -1.929
29 HG22 VAL 4 1HG2 VAL 4 8.932 3.830 -2.734
30 HG23 VAL 4 2HG2 VAL 4 8.532 3.391 -1.074
31 H CYS 5 H CYS 5 4.261 2.175 -2.335
32 HA CYS 5 HA CYS 5 3.691 0.096 -4.316
33 HB2 CYS 5 2HB CYS 5 2.724 0.277 -1.457
34 HB3 CYS 5 1HB CYS 5 2.521 -1.087 -2.547
35 H GLY 6 H GLY 6 1.274 -0.467 -4.419
36 HA2 GLY 6 2HA GLY 6 -0.534 1.749 -3.942
37 HA3 GLY 6 1HA GLY 6 -0.172 1.477 -5.639
38 H GLU 7 H GLU 7 -0.274 -1.137 -3.362
39 HA GLU 7 HA GLU 7 -2.333 -2.456 -4.873
40 HB2 GLU 7 2HB GLU 7 -1.206 -3.319 -2.203
41 HB3 GLU 7 1HB GLU 7 -2.016 -4.324 -3.393
42 HG2 GLU 7 2HG GLU 7 0.231 -4.865 -3.616
43 HG3 GLU 7 1HG GLU 7 -0.075 -3.748 -4.946
44 H THR 8 H THR 8 -4.464 -2.776 -4.275
45 HA THR 8 HA THR 8 -5.528 -0.889 -2.420
46 HB THR 8 HB THR 8 -7.684 -2.242 -2.922
47 HG1 THR 8 1HG THR 8 -7.115 -3.085 -5.271
48 HG21 THR 8 3HG2 THR 8 -6.237 -0.690 -5.070
49 HG22 THR 8 1HG2 THR 8 -7.250 -0.013 -3.796
50 HG23 THR 8 2HG2 THR 8 -7.969 -1.026 -5.049
51 H CYS 9 H CYS 9 -5.810 -1.156 -0.351
52 HA CYS 9 HA CYS 9 -5.439 -3.792 0.842
53 HB2 CYS 9 2HB CYS 9 -4.198 -1.757 1.661
54 HB3 CYS 9 1HB CYS 9 -5.741 -1.142 2.237
55 H VAL 10 H VAL 10 -7.841 -3.258 -0.593
56 HA VAL 10 HA VAL 10 -9.974 -2.535 1.072
57 HB VAL 10 HB VAL 10 -10.080 -4.432 -1.278
58 HG11 VAL 10 1HG1 VAL 10 -12.078 -3.652 0.530
59 HG12 VAL 10 2HG1 VAL 10 -12.282 -4.511 -0.996
60 HG13 VAL 10 3HG1 VAL 10 -12.383 -2.751 -0.954
61 HG21 VAL 10 3HG2 VAL 10 -10.382 -2.589 -2.709
62 HG22 VAL 10 1HG2 VAL 10 -9.014 -2.157 -1.682
63 HG23 VAL 10 2HG2 VAL 10 -10.609 -1.476 -1.361
64 H GLY 11 H GLY 11 -8.458 -5.620 0.404
65 HA2 GLY 11 2HA GLY 11 -10.253 -6.987 2.258
66 HA3 GLY 11 1HA GLY 11 -9.065 -7.752 1.217
67 H GLY 12 H GLY 12 -8.156 -4.999 3.126
68 HA2 GLY 12 2HA GLY 12 -6.696 -4.749 4.875
69 HA3 GLY 12 1HA GLY 12 -7.394 -6.227 5.515
70 H THR 13 H THR 13 -5.406 -5.625 2.616
71 HA THR 13 HA THR 13 -3.201 -7.070 3.803
72 HB THR 13 HB THR 13 -4.595 -8.862 2.882
73 HG1 THR 13 1HG THR 13 -2.874 -9.888 2.093
74 HG21 THR 13 3HG2 THR 13 -5.748 -8.505 1.007
75 HG22 THR 13 1HG2 THR 13 -4.228 -8.654 0.123
76 HG23 THR 13 2HG2 THR 13 -4.799 -7.066 0.636
77 H CYS 14 H CYS 14 -1.272 -6.949 2.567
78 HA CYS 14 HA CYS 14 -1.247 -4.944 0.433
79 HB2 CYS 14 2HB CYS 14 0.564 -4.993 2.842
80 HB3 CYS 14 1HB CYS 14 0.854 -4.001 1.417
81 H ASN 15 H ASN 15 0.498 -7.399 2.143
82 HA ASN 15 HA ASN 15 1.811 -9.128 1.491
83 HB2 ASN 15 2HB ASN 15 1.194 -8.249 -1.338
84 HB3 ASN 15 1HB ASN 15 2.005 -9.745 -0.885
85 HD21 ASN 15 1HD2 ASN 15 -0.857 -8.463 -1.783
86 HD22 ASN 15 2HD2 ASN 15 -1.931 -9.644 -1.120
87 H THR 16 H THR 16 2.401 -6.176 -0.417
88 HA THR 16 HA THR 16 5.128 -6.628 -0.896
89 HB THR 16 HB THR 16 3.963 -3.875 -0.577
90 HG1 THR 16 1HG THR 16 2.658 -4.213 -2.225
91 HG21 THR 16 3HG2 THR 16 5.762 -4.905 -2.752
92 HG22 THR 16 1HG2 THR 16 6.415 -4.394 -1.196
93 HG23 THR 16 2HG2 THR 16 5.530 -3.246 -2.202
94 HA PRO 17 HA PRO 17 6.525 -6.126 3.345
95 HB2 PRO 17 2HB PRO 17 9.175 -6.526 2.722
96 HB3 PRO 17 1HB PRO 17 8.023 -7.829 3.039
97 HG2 PRO 17 2HG PRO 17 8.985 -6.739 0.426
98 HG3 PRO 17 1HG PRO 17 8.683 -8.422 0.898
99 HD2 PRO 17 2HD PRO 17 6.940 -7.029 -0.609
100 HD3 PRO 17 1HD PRO 17 6.401 -8.233 0.581
101 H GLY 18 H GLY 18 7.002 -4.328 4.347
102 HA2 GLY 18 2HA GLY 18 8.374 -2.409 4.712
103 HA3 GLY 18 1HA GLY 18 8.665 -2.338 2.976
104 H CYS 19 H CYS 19 5.686 -2.897 2.553
105 HA CYS 19 HA CYS 19 4.935 -0.081 2.906
106 HB2 CYS 19 2HB CYS 19 4.105 -2.181 0.951
107 HB3 CYS 19 1HB CYS 19 3.025 -0.825 1.277
108 H THR 20 H THR 20 3.286 0.598 4.059
109 HA THR 20 HA THR 20 1.928 -1.352 5.765
110 HB THR 20 HB THR 20 1.862 1.641 6.096
111 HG1 THR 20 1HG THR 20 3.949 -0.175 6.586
112 HG21 THR 20 3HG2 THR 20 0.529 0.974 7.783
113 HG22 THR 20 1HG2 THR 20 2.022 0.463 8.570
114 HG23 THR 20 2HG2 THR 20 1.061 -0.702 7.660
115 H CYS 21 H CYS 21 -0.328 -1.296 6.054
116 HA CYS 21 HA CYS 21 -1.807 -0.600 3.706
117 HB2 CYS 21 2HB CYS 21 -2.429 -2.615 4.847
118 HB3 CYS 21 1HB CYS 21 -2.630 -1.760 6.372
119 H SER 22 H SER 22 -2.816 1.224 3.298
120 HA SER 22 HA SER 22 -3.615 2.968 5.522
121 HB2 SER 22 2HB SER 22 -1.605 3.892 4.348
122 HB3 SER 22 1HB SER 22 -2.516 3.879 2.839
123 HG SER 22 HG SER 22 -3.977 5.351 3.792
124 H TRP 23 H TRP 23 -5.384 1.396 5.044
125 HA TRP 23 HA TRP 23 -6.964 0.866 3.074
126 HB2 TRP 23 2HB TRP 23 -7.407 0.680 5.622
127 HB3 TRP 23 1HB TRP 23 -8.345 2.151 5.399
128 HD1 TRP 23 HD TRP 23 -8.286 -1.536 4.304
129 HE1 TRP 23 1HE TRP 23 -10.655 -2.205 3.556
130 HE3 TRP 23 3HE TRP 23 -10.535 3.045 4.561
131 HZ2 TRP 23 2HZ TRP 23 -13.150 -0.950 3.127
132 HZ3 TRP 23 3HZ TRP 23 -12.915 3.227 3.962
133 HH2 TRP 23 HH TRP 23 -14.194 1.270 3.259
134 HA PRO 24 HA PRO 24 -8.187 0.557 1.883
135 HB2 PRO 24 2HB PRO 24 -9.324 0.774 -0.512
136 HB3 PRO 24 1HB PRO 24 -10.241 1.096 0.965
137 HG2 PRO 24 2HG PRO 24 -9.164 2.998 -1.042
138 HG3 PRO 24 1HG PRO 24 -10.594 3.143 -0.008
139 HD2 PRO 24 2HD PRO 24 -8.000 4.258 0.431
140 HD3 PRO 24 1HD PRO 24 -9.404 4.323 1.514
141 H VAL 25 H VAL 25 -5.725 2.330 1.322
142 HA VAL 25 HA VAL 25 -4.738 0.677 -0.901
143 HB VAL 25 HB VAL 25 -3.458 2.667 -1.786
144 HG11 VAL 25 1HG1 VAL 25 -5.423 1.739 -2.920
145 HG12 VAL 25 2HG1 VAL 25 -5.309 3.488 -3.126
146 HG13 VAL 25 3HG1 VAL 25 -6.463 2.809 -1.978
147 HG21 VAL 25 3HG2 VAL 25 -3.650 4.178 0.075
148 HG22 VAL 25 1HG2 VAL 25 -5.411 4.155 -0.035
149 HG23 VAL 25 2HG2 VAL 25 -4.456 4.894 -1.321
150 H CYS 26 H CYS 26 -2.696 -0.036 -0.724
151 HA CYS 26 HA CYS 26 -1.330 0.410 1.783
152 HB2 CYS 26 2HB CYS 26 -0.620 -1.316 -0.596
153 HB3 CYS 26 1HB CYS 26 0.229 -1.318 0.950
154 H THR 27 H THR 27 0.601 1.471 2.082
155 HA THR 27 HA THR 27 2.032 2.512 -0.220
156 HB THR 27 HB THR 27 0.269 4.206 0.203
157 HG1 THR 27 1HG THR 27 1.677 5.911 0.064
158 HG21 THR 27 3HG2 THR 27 1.640 4.923 2.766
159 HG22 THR 27 1HG2 THR 27 0.346 3.724 2.756
160 HG23 THR 27 2HG2 THR 27 0.031 5.367 2.198
161 H ARG 28 H ARG 28 3.946 3.911 0.637
162 HA ARG 28 HA ARG 28 5.155 2.390 2.825
163 HB2 ARG 28 2HB ARG 28 6.525 2.382 0.872
164 HB3 ARG 28 1HB ARG 28 6.321 4.111 0.635
165 HG2 ARG 28 2HG ARG 28 8.537 3.628 1.466
166 HG3 ARG 28 1HG ARG 28 7.620 4.540 2.665
167 HD2 ARG 28 2HD ARG 28 7.031 2.168 3.590
168 HD3 ARG 28 1HD ARG 28 8.470 1.677 2.698
169 HE ARG 28 HE ARG 28 9.040 3.949 4.272
170 HH11 ARG 28 1HH1 ARG 28 8.383 0.528 4.604
171 HH12 ARG 28 2HH1 ARG 28 9.314 0.361 6.058
172 HH21 ARG 28 1HH2 ARG 28 10.246 3.743 6.201
173 HH22 ARG 28 2HH2 ARG 28 10.371 2.199 6.975
174 H ASN 29 H ASN 29 5.493 3.288 4.755
175 HA ASN 29 HA ASN 29 4.557 5.953 5.222
176 HB2 ASN 29 2HB ASN 29 5.069 5.496 7.596
177 HB3 ASN 29 1HB ASN 29 4.101 4.216 6.875
178 HD21 ASN 29 1HD2 ASN 29 4.705 2.246 7.393
179 HD22 ASN 29 2HD2 ASN 29 6.306 1.760 7.835
Start of MODEL 14
1 H1 GLY 1 H GLY 1 11.773 -3.660 -9.870
2 HA2 GLY 1 2HA GLY 1 9.702 -4.638 -8.006
3 HA3 GLY 1 1HA GLY 1 11.430 -4.847 -7.754
4 H LEU 2 H LEU 2 9.692 -1.974 -8.826
5 HA LEU 2 HA LEU 2 11.079 -0.317 -6.952
6 HB2 LEU 2 2HB LEU 2 10.404 0.468 -9.192
7 HB3 LEU 2 1HB LEU 2 8.721 0.304 -8.737
8 HG LEU 2 HG LEU 2 9.115 2.029 -6.955
9 HD11 LEU 2 1HD1 LEU 2 11.830 1.753 -7.963
10 HD12 LEU 2 2HD1 LEU 2 11.247 2.435 -6.446
11 HD13 LEU 2 3HD1 LEU 2 11.278 3.426 -7.903
12 HD21 LEU 2 3HD2 LEU 2 9.298 3.930 -8.629
13 HD22 LEU 2 1HD2 LEU 2 8.008 2.756 -8.899
14 HD23 LEU 2 2HD2 LEU 2 9.484 2.682 -9.864
15 HA PRO 3 HA PRO 3 8.127 -1.020 -3.656
16 HB2 PRO 3 2HB PRO 3 9.297 0.573 -1.818
17 HB3 PRO 3 1HB PRO 3 9.961 -1.003 -2.264
18 HG2 PRO 3 2HG PRO 3 10.784 1.726 -3.180
19 HG3 PRO 3 1HG PRO 3 11.799 0.351 -2.703
20 HD2 PRO 3 2HD PRO 3 11.290 1.000 -5.298
21 HD3 PRO 3 1HD PRO 3 11.606 -0.661 -4.757
22 H VAL 4 H VAL 4 7.168 0.644 -5.614
23 HA VAL 4 HA VAL 4 6.551 3.246 -4.543
24 HB VAL 4 HB VAL 4 6.799 2.832 -6.973
25 HG11 VAL 4 1HG1 VAL 4 4.438 1.086 -6.530
26 HG12 VAL 4 2HG1 VAL 4 5.868 0.822 -7.528
27 HG13 VAL 4 3HG1 VAL 4 4.609 1.933 -8.068
28 HG21 VAL 4 3HG2 VAL 4 4.505 3.978 -7.567
29 HG22 VAL 4 1HG2 VAL 4 5.744 4.831 -6.647
30 HG23 VAL 4 2HG2 VAL 4 4.377 4.095 -5.812
31 H CYS 5 H CYS 5 5.049 0.158 -4.844
32 HA CYS 5 HA CYS 5 3.222 -0.823 -3.960
33 HB2 CYS 5 2HB CYS 5 3.373 1.463 -2.001
34 HB3 CYS 5 1HB CYS 5 2.509 -0.052 -1.758
35 H GLY 6 H GLY 6 1.272 1.157 -2.447
36 HA2 GLY 6 2HA GLY 6 -0.468 2.588 -3.029
37 HA3 GLY 6 1HA GLY 6 0.076 2.535 -4.701
38 H GLU 7 H GLU 7 -0.236 -0.463 -3.057
39 HA GLU 7 HA GLU 7 -2.303 -1.311 -4.870
40 HB2 GLU 7 2HB GLU 7 -1.628 -2.943 -2.472
41 HB3 GLU 7 1HB GLU 7 -1.909 -3.455 -4.128
42 HG2 GLU 7 2HG GLU 7 0.302 -3.846 -4.059
43 HG3 GLU 7 1HG GLU 7 0.389 -2.134 -4.471
44 H THR 8 H THR 8 -4.473 -1.641 -4.396
45 HA THR 8 HA THR 8 -5.507 -0.134 -2.232
46 HB THR 8 HB THR 8 -7.683 -1.351 -2.939
47 HG1 THR 8 1HG THR 8 -7.300 -1.908 -5.324
48 HG21 THR 8 3HG2 THR 8 -8.126 0.480 -4.177
49 HG22 THR 8 1HG2 THR 8 -6.749 0.208 -5.246
50 HG23 THR 8 2HG2 THR 8 -6.512 0.990 -3.681
51 H CYS 9 H CYS 9 -5.738 -0.727 -0.242
52 HA CYS 9 HA CYS 9 -5.348 -3.490 0.557
53 HB2 CYS 9 2HB CYS 9 -4.255 -1.525 1.705
54 HB3 CYS 9 1HB CYS 9 -5.850 -1.103 2.311
55 H VAL 10 H VAL 10 -7.692 -3.064 -0.874
56 HA VAL 10 HA VAL 10 -9.936 -2.567 0.689
57 HB VAL 10 HB VAL 10 -11.159 -3.829 -1.106
58 HG11 VAL 10 1HG1 VAL 10 -11.085 -1.547 -1.467
59 HG12 VAL 10 2HG1 VAL 10 -10.361 -2.186 -2.944
60 HG13 VAL 10 3HG1 VAL 10 -9.332 -1.540 -1.664
61 HG21 VAL 10 3HG2 VAL 10 -9.983 -5.347 -2.245
62 HG22 VAL 10 1HG2 VAL 10 -8.446 -4.644 -1.739
63 HG23 VAL 10 2HG2 VAL 10 -9.302 -3.982 -3.131
64 H GLY 11 H GLY 11 -8.069 -5.463 0.162
65 HA2 GLY 11 2HA GLY 11 -9.962 -7.014 1.785
66 HA3 GLY 11 1HA GLY 11 -8.685 -7.688 0.784
67 H GLY 12 H GLY 12 -7.956 -4.957 2.767
68 HA2 GLY 12 2HA GLY 12 -6.576 -4.688 4.577
69 HA3 GLY 12 1HA GLY 12 -7.279 -6.178 5.183
70 H THR 13 H THR 13 -5.217 -5.584 2.338
71 HA THR 13 HA THR 13 -3.015 -6.953 3.611
72 HB THR 13 HB THR 13 -4.400 -8.787 2.725
73 HG1 THR 13 1HG THR 13 -2.501 -9.666 2.525
74 HG21 THR 13 3HG2 THR 13 -3.861 -8.660 -0.033
75 HG22 THR 13 1HG2 THR 13 -4.545 -7.096 0.417
76 HG23 THR 13 2HG2 THR 13 -5.432 -8.579 0.766
77 H CYS 14 H CYS 14 -1.072 -6.863 2.420
78 HA CYS 14 HA CYS 14 -0.982 -4.967 0.178
79 HB2 CYS 14 2HB CYS 14 0.934 -4.932 2.527
80 HB3 CYS 14 1HB CYS 14 0.944 -3.837 1.149
81 H ASN 15 H ASN 15 0.735 -5.402 -1.308
82 HA ASN 15 HA ASN 15 1.873 -8.072 -0.895
83 HB2 ASN 15 2HB ASN 15 2.228 -8.155 -3.336
84 HB3 ASN 15 1HB ASN 15 0.541 -7.943 -2.895
85 HD21 ASN 15 1HD2 ASN 15 -0.519 -6.524 -4.041
86 HD22 ASN 15 2HD2 ASN 15 0.154 -5.163 -4.866
87 H THR 16 H THR 16 2.827 -4.747 -1.614
88 HA THR 16 HA THR 16 5.580 -5.528 -2.004
89 HB THR 16 HB THR 16 4.551 -2.726 -1.564
90 HG1 THR 16 1HG THR 16 3.668 -4.194 -3.411
91 HG21 THR 16 3HG2 THR 16 6.680 -2.134 -1.872
92 HG22 THR 16 1HG2 THR 16 6.690 -2.952 -3.435
93 HG23 THR 16 2HG2 THR 16 7.137 -3.834 -1.975
94 HA PRO 17 HA PRO 17 6.351 -5.821 2.397
95 HB2 PRO 17 2HB PRO 17 9.137 -6.096 1.429
96 HB3 PRO 17 1HB PRO 17 8.198 -7.172 2.470
97 HG2 PRO 17 2HG PRO 17 8.731 -7.819 -0.069
98 HG3 PRO 17 1HG PRO 17 7.179 -8.230 0.685
99 HD2 PRO 17 2HD PRO 17 7.835 -6.029 -1.232
100 HD3 PRO 17 1HD PRO 17 6.390 -7.057 -1.146
101 H GLY 18 H GLY 18 6.641 -4.215 3.730
102 HA2 GLY 18 2HA GLY 18 8.120 -2.495 4.612
103 HA3 GLY 18 1HA GLY 18 8.476 -2.048 2.947
104 H CYS 19 H CYS 19 5.544 -2.504 2.284
105 HA CYS 19 HA CYS 19 4.738 0.177 3.143
106 HB2 CYS 19 2HB CYS 19 3.870 -1.603 0.892
107 HB3 CYS 19 1HB CYS 19 2.883 -0.229 1.391
108 H THR 20 H THR 20 3.252 0.563 4.582
109 HA THR 20 HA THR 20 1.854 -1.658 5.822
110 HB THR 20 HB THR 20 1.116 0.621 7.183
111 HG1 THR 20 1HG THR 20 2.479 2.097 6.443
112 HG21 THR 20 3HG2 THR 20 2.028 -1.580 8.032
113 HG22 THR 20 1HG2 THR 20 2.576 -0.147 8.899
114 HG23 THR 20 2HG2 THR 20 3.640 -0.933 7.733
115 H CYS 21 H CYS 21 -0.387 -1.761 6.068
116 HA CYS 21 HA CYS 21 -1.886 -0.732 3.886
117 HB2 CYS 21 2HB CYS 21 -2.489 -2.882 4.765
118 HB3 CYS 21 1HB CYS 21 -2.719 -2.219 6.380
119 H SER 22 H SER 22 -2.875 1.125 3.702
120 HA SER 22 HA SER 22 -3.759 2.560 6.105
121 HB2 SER 22 2HB SER 22 -2.504 3.817 3.640
122 HB3 SER 22 1HB SER 22 -3.106 4.683 5.056
123 HG SER 22 HG SER 22 -1.297 2.716 5.659
124 H TRP 23 H TRP 23 -5.528 1.138 5.371
125 HA TRP 23 HA TRP 23 -7.013 0.885 3.268
126 HB2 TRP 23 2HB TRP 23 -7.580 0.405 5.760
127 HB3 TRP 23 1HB TRP 23 -8.494 1.905 5.661
128 HD1 TRP 23 HD TRP 23 -8.390 -1.614 4.098
129 HE1 TRP 23 1HE TRP 23 -10.728 -2.167 3.182
130 HE3 TRP 23 3HE TRP 23 -10.650 2.898 4.892
131 HZ2 TRP 23 2HZ TRP 23 -13.207 -0.857 2.835
132 HZ3 TRP 23 3HZ TRP 23 -13.007 3.168 4.236
133 HH2 TRP 23 HH TRP 23 -14.257 1.328 3.228
134 HA PRO 24 HA PRO 24 -8.202 0.759 2.007
135 HB2 PRO 24 2HB PRO 24 -9.225 1.301 -0.389
136 HB3 PRO 24 1HB PRO 24 -10.197 1.460 1.078
137 HG2 PRO 24 2HG PRO 24 -9.003 3.567 -0.633
138 HG3 PRO 24 1HG PRO 24 -10.466 3.621 0.364
139 HD2 PRO 24 2HD PRO 24 -7.861 4.599 1.024
140 HD3 PRO 24 1HD PRO 24 -9.304 4.577 2.054
141 H VAL 25 H VAL 25 -5.652 2.469 1.774
142 HA VAL 25 HA VAL 25 -4.623 1.053 -0.589
143 HB VAL 25 HB VAL 25 -3.260 3.097 -1.204
144 HG11 VAL 25 1HG1 VAL 25 -5.541 4.249 -2.091
145 HG12 VAL 25 2HG1 VAL 25 -6.123 2.636 -1.681
146 HG13 VAL 25 3HG1 VAL 25 -4.794 2.829 -2.825
147 HG21 VAL 25 3HG2 VAL 25 -3.824 5.222 -0.435
148 HG22 VAL 25 1HG2 VAL 25 -3.864 4.236 1.026
149 HG23 VAL 25 2HG2 VAL 25 -5.369 4.682 0.221
150 H CYS 26 H CYS 26 -2.594 0.286 -0.422
151 HA CYS 26 HA CYS 26 -1.306 0.440 2.165
152 HB2 CYS 26 2HB CYS 26 -0.582 -1.059 -0.359
153 HB3 CYS 26 1HB CYS 26 0.299 -1.185 1.160
154 H THR 27 H THR 27 0.509 1.564 2.674
155 HA THR 27 HA THR 27 2.178 2.652 0.576
156 HB THR 27 HB THR 27 0.534 4.404 0.695
157 HG1 THR 27 1HG THR 27 1.933 6.129 1.286
158 HG21 THR 27 3HG2 THR 27 -0.509 4.165 2.791
159 HG22 THR 27 1HG2 THR 27 0.335 5.712 2.881
160 HG23 THR 27 2HG2 THR 27 1.024 4.285 3.656
161 H ARG 28 H ARG 28 4.169 3.394 1.308
162 HA ARG 28 HA ARG 28 5.029 2.130 3.765
163 HB2 ARG 28 2HB ARG 28 7.315 2.832 3.003
164 HB3 ARG 28 1HB ARG 28 6.455 1.782 1.888
165 HG2 ARG 28 2HG ARG 28 5.864 3.728 0.521
166 HG3 ARG 28 1HG ARG 28 6.751 4.770 1.637
167 HD2 ARG 28 2HD ARG 28 7.876 2.559 -0.076
168 HD3 ARG 28 1HD ARG 28 8.147 4.291 -0.265
169 HE ARG 28 HE ARG 28 9.566 2.529 1.434
170 HH11 ARG 28 1HH1 ARG 28 8.349 5.807 1.292
171 HH12 ARG 28 2HH1 ARG 28 9.485 6.420 2.445
172 HH21 ARG 28 1HH2 ARG 28 11.075 3.331 2.954
173 HH22 ARG 28 2HH2 ARG 28 11.045 5.006 3.390
174 H ASN 29 H ASN 29 3.420 3.919 4.654
175 HA ASN 29 HA ASN 29 4.545 6.521 5.050
176 HB2 ASN 29 2HB ASN 29 2.663 6.897 6.561
177 HB3 ASN 29 1HB ASN 29 2.108 6.140 5.074
178 HD21 ASN 29 1HD2 ASN 29 1.732 6.128 8.304
179 HD22 ASN 29 2HD2 ASN 29 1.179 4.511 8.539
Start of MODEL 15
1 H1 GLY 1 H GLY 1 7.544 6.622 3.140
2 HA2 GLY 1 2HA GLY 1 9.311 8.481 3.441
3 HA3 GLY 1 1HA GLY 1 10.380 7.292 2.710
4 H LEU 2 H LEU 2 8.400 6.243 0.908
5 HA LEU 2 HA LEU 2 7.624 8.470 -0.788
6 HB2 LEU 2 2HB LEU 2 10.004 7.925 -1.363
7 HB3 LEU 2 1HB LEU 2 9.486 6.306 -1.790
8 HG LEU 2 HG LEU 2 7.988 7.345 -3.531
9 HD11 LEU 2 1HD1 LEU 2 9.461 9.762 -3.851
10 HD12 LEU 2 2HD1 LEU 2 8.781 9.719 -2.224
11 HD13 LEU 2 3HD1 LEU 2 7.725 9.542 -3.626
12 HD21 LEU 2 3HD2 LEU 2 10.465 6.470 -3.755
13 HD22 LEU 2 1HD2 LEU 2 10.782 8.164 -4.132
14 HD23 LEU 2 2HD2 LEU 2 9.638 7.242 -5.107
15 HA PRO 3 HA PRO 3 4.291 5.561 -1.297
16 HB2 PRO 3 2HB PRO 3 2.940 6.886 -3.246
17 HB3 PRO 3 1HB PRO 3 2.923 7.382 -1.548
18 HG2 PRO 3 2HG PRO 3 4.552 8.455 -3.820
19 HG3 PRO 3 1HG PRO 3 3.698 9.337 -2.539
20 HD2 PRO 3 2HD PRO 3 6.363 8.896 -2.462
21 HD3 PRO 3 1HD PRO 3 5.368 8.964 -0.993
22 H VAL 4 H VAL 4 6.338 4.339 -2.352
23 HA VAL 4 HA VAL 4 6.383 4.111 -5.180
24 HB VAL 4 HB VAL 4 7.339 2.096 -3.142
25 HG11 VAL 4 1HG1 VAL 4 7.504 0.886 -5.056
26 HG12 VAL 4 2HG1 VAL 4 9.013 1.790 -5.198
27 HG13 VAL 4 3HG1 VAL 4 7.582 2.317 -6.085
28 HG21 VAL 4 3HG2 VAL 4 8.337 4.305 -2.776
29 HG22 VAL 4 1HG2 VAL 4 8.867 4.339 -4.458
30 HG23 VAL 4 2HG2 VAL 4 9.527 3.138 -3.349
31 H CYS 5 H CYS 5 4.910 2.209 -2.625
32 HA CYS 5 HA CYS 5 3.667 0.363 -4.443
33 HB2 CYS 5 2HB CYS 5 2.989 0.764 -1.532
34 HB3 CYS 5 1HB CYS 5 2.709 -0.667 -2.512
35 H GLY 6 H GLY 6 1.297 0.035 -4.409
36 HA2 GLY 6 2HA GLY 6 -0.428 2.174 -3.640
37 HA3 GLY 6 1HA GLY 6 -0.097 2.206 -5.367
38 H GLU 7 H GLU 7 -0.335 -0.663 -3.358
39 HA GLU 7 HA GLU 7 -2.406 -1.686 -5.114
40 HB2 GLU 7 2HB GLU 7 -2.171 -3.783 -3.755
41 HB3 GLU 7 1HB GLU 7 -0.709 -3.278 -4.579
42 HG2 GLU 7 2HG GLU 7 -1.254 -2.653 -1.693
43 HG3 GLU 7 1HG GLU 7 -0.441 -4.124 -2.221
44 H THR 8 H THR 8 -4.487 -2.194 -4.487
45 HA THR 8 HA THR 8 -5.548 -0.536 -2.448
46 HB THR 8 HB THR 8 -7.671 -1.963 -3.009
47 HG1 THR 8 1HG THR 8 -7.205 -2.545 -5.415
48 HG21 THR 8 3HG2 THR 8 -8.050 0.062 -3.885
49 HG22 THR 8 1HG2 THR 8 -7.434 -0.593 -5.402
50 HG23 THR 8 2HG2 THR 8 -6.352 0.276 -4.311
51 H CYS 9 H CYS 9 -5.852 -0.927 -0.425
52 HA CYS 9 HA CYS 9 -5.529 -3.655 0.619
53 HB2 CYS 9 2HB CYS 9 -4.013 -1.828 1.428
54 HB3 CYS 9 1HB CYS 9 -5.432 -1.036 2.096
55 H VAL 10 H VAL 10 -7.920 -3.008 -0.595
56 HA VAL 10 HA VAL 10 -9.882 -1.941 1.055
57 HB VAL 10 HB VAL 10 -10.274 -4.103 -1.018
58 HG11 VAL 10 1HG1 VAL 10 -12.309 -2.023 -0.372
59 HG12 VAL 10 2HG1 VAL 10 -12.142 -3.420 0.692
60 HG13 VAL 10 3HG1 VAL 10 -12.526 -3.652 -1.014
61 HG21 VAL 10 3HG2 VAL 10 -11.009 -1.834 -2.261
62 HG22 VAL 10 1HG2 VAL 10 -9.389 -2.522 -2.367
63 HG23 VAL 10 2HG2 VAL 10 -9.719 -1.215 -1.231
64 H GLY 11 H GLY 11 -8.703 -5.231 0.763
65 HA2 GLY 11 2HA GLY 11 -10.547 -6.180 2.807
66 HA3 GLY 11 1HA GLY 11 -9.399 -7.159 1.907
67 H GLY 12 H GLY 12 -8.136 -4.272 3.225
68 HA2 GLY 12 2HA GLY 12 -6.642 -3.846 4.905
69 HA3 GLY 12 1HA GLY 12 -7.546 -5.017 5.851
70 H THR 13 H THR 13 -5.662 -5.570 2.880
71 HA THR 13 HA THR 13 -3.571 -6.838 4.400
72 HB THR 13 HB THR 13 -5.187 -8.619 4.291
73 HG1 THR 13 1HG THR 13 -3.677 -10.054 3.841
74 HG21 THR 13 3HG2 THR 13 -5.732 -7.656 1.711
75 HG22 THR 13 1HG2 THR 13 -6.490 -9.020 2.533
76 HG23 THR 13 2HG2 THR 13 -5.081 -9.281 1.506
77 H CYS 14 H CYS 14 -1.710 -7.009 3.390
78 HA CYS 14 HA CYS 14 -1.428 -6.706 0.531
79 HB2 CYS 14 2HB CYS 14 -0.387 -4.612 2.449
80 HB3 CYS 14 1HB CYS 14 0.239 -4.815 0.817
81 H ASN 15 H ASN 15 0.648 -7.392 -0.192
82 HA ASN 15 HA ASN 15 2.223 -8.695 1.931
83 HB2 ASN 15 2HB ASN 15 1.625 -9.580 -0.886
84 HB3 ASN 15 1HB ASN 15 2.966 -10.253 0.033
85 HD21 ASN 15 1HD2 ASN 15 0.772 -9.575 2.323
86 HD22 ASN 15 2HD2 ASN 15 -0.092 -11.073 2.367
87 H THR 16 H THR 16 2.367 -6.011 0.308
88 HA THR 16 HA THR 16 4.950 -6.197 -0.946
89 HB THR 16 HB THR 16 3.660 -3.583 -0.266
90 HG1 THR 16 1HG THR 16 2.380 -3.944 -2.260
91 HG21 THR 16 3HG2 THR 16 5.001 -2.802 -1.891
92 HG22 THR 16 1HG2 THR 16 4.561 -4.109 -2.991
93 HG23 THR 16 2HG2 THR 16 5.832 -4.354 -1.795
94 HA PRO 17 HA PRO 17 6.939 -5.761 3.080
95 HB2 PRO 17 2HB PRO 17 9.368 -5.844 1.394
96 HB3 PRO 17 1HB PRO 17 8.921 -6.854 2.772
97 HG2 PRO 17 2HG PRO 17 8.857 -7.810 0.275
98 HG3 PRO 17 1HG PRO 17 7.646 -8.287 1.481
99 HD2 PRO 17 2HD PRO 17 7.412 -6.325 -0.768
100 HD3 PRO 17 1HD PRO 17 6.229 -7.512 -0.180
101 H GLY 18 H GLY 18 7.414 -3.986 4.115
102 HA2 GLY 18 2HA GLY 18 8.549 -1.961 4.482
103 HA3 GLY 18 1HA GLY 18 8.836 -1.836 2.754
104 H CYS 19 H CYS 19 5.818 -2.576 2.454
105 HA CYS 19 HA CYS 19 4.972 0.215 2.855
106 HB2 CYS 19 2HB CYS 19 4.226 -1.826 0.789
107 HB3 CYS 19 1HB CYS 19 3.168 -0.452 1.119
108 H THR 20 H THR 20 3.366 0.749 4.100
109 HA THR 20 HA THR 20 2.016 -1.350 5.617
110 HB THR 20 HB THR 20 1.876 1.597 6.199
111 HG1 THR 20 1HG THR 20 4.036 -0.176 6.521
112 HG21 THR 20 3HG2 THR 20 1.118 -0.872 7.533
113 HG22 THR 20 1HG2 THR 20 0.644 0.789 7.886
114 HG23 THR 20 2HG2 THR 20 2.145 0.143 8.545
115 H CYS 21 H CYS 21 -0.232 -1.379 5.888
116 HA CYS 21 HA CYS 21 -1.744 -0.559 3.621
117 HB2 CYS 21 2HB CYS 21 -2.325 -2.617 4.741
118 HB3 CYS 21 1HB CYS 21 -2.573 -1.772 6.264
119 H SER 22 H SER 22 -2.870 1.239 3.299
120 HA SER 22 HA SER 22 -3.612 2.908 5.591
121 HB2 SER 22 2HB SER 22 -2.435 3.939 2.987
122 HB3 SER 22 1HB SER 22 -2.973 4.926 4.347
123 HG SER 22 HG SER 22 -1.265 3.122 5.275
124 H TRP 23 H TRP 23 -5.439 1.474 5.067
125 HA TRP 23 HA TRP 23 -7.021 1.042 3.076
126 HB2 TRP 23 2HB TRP 23 -7.496 0.871 5.630
127 HB3 TRP 23 1HB TRP 23 -8.380 2.373 5.386
128 HD1 TRP 23 HD TRP 23 -8.422 -1.311 4.269
129 HE1 TRP 23 1HE TRP 23 -10.804 -1.907 3.501
130 HE3 TRP 23 3HE TRP 23 -10.541 3.330 4.561
131 HZ2 TRP 23 2HZ TRP 23 -13.258 -0.574 3.073
132 HZ3 TRP 23 3HZ TRP 23 -12.910 3.586 3.952
133 HH2 TRP 23 HH TRP 23 -14.240 1.672 3.222
134 HA PRO 24 HA PRO 24 -8.258 0.809 1.874
135 HB2 PRO 24 2HB PRO 24 -9.338 1.109 -0.538
136 HB3 PRO 24 1HB PRO 24 -10.261 1.465 0.927
137 HG2 PRO 24 2HG PRO 24 -9.046 3.326 -1.041
138 HG3 PRO 24 1HG PRO 24 -10.489 3.535 -0.036
139 HD2 PRO 24 2HD PRO 24 -7.856 4.517 0.470
140 HD3 PRO 24 1HD PRO 24 -9.275 4.630 1.530
141 H VAL 25 H VAL 25 -5.693 2.465 1.350
142 HA VAL 25 HA VAL 25 -4.727 0.717 -0.803
143 HB VAL 25 HB VAL 25 -3.398 2.656 -1.763
144 HG11 VAL 25 1HG1 VAL 25 -6.344 2.294 -2.059
145 HG12 VAL 25 2HG1 VAL 25 -5.043 1.920 -3.190
146 HG13 VAL 25 3HG1 VAL 25 -5.537 3.593 -2.937
147 HG21 VAL 25 3HG2 VAL 25 -5.308 4.167 -0.011
148 HG22 VAL 25 1HG2 VAL 25 -4.620 4.887 -1.467
149 HG23 VAL 25 2HG2 VAL 25 -3.560 4.351 -0.162
150 H CYS 26 H CYS 26 -2.682 -0.007 -0.565
151 HA CYS 26 HA CYS 26 -1.339 0.655 1.918
152 HB2 CYS 26 2HB CYS 26 -0.848 -1.415 -0.208
153 HB3 CYS 26 1HB CYS 26 0.305 -1.125 1.094
154 H THR 27 H THR 27 0.620 1.665 2.140
155 HA THR 27 HA THR 27 2.111 2.438 -0.213
156 HB THR 27 HB THR 27 0.377 4.212 -0.008
157 HG1 THR 27 1HG THR 27 1.942 5.270 -0.916
158 HG21 THR 27 3HG2 THR 27 -0.162 4.715 2.132
159 HG22 THR 27 1HG2 THR 27 1.154 5.877 1.965
160 HG23 THR 27 2HG2 THR 27 1.447 4.320 2.738
161 H ARG 28 H ARG 28 4.104 3.651 0.420
162 HA ARG 28 HA ARG 28 5.270 2.349 2.724
163 HB2 ARG 28 2HB ARG 28 6.338 2.911 0.347
164 HB3 ARG 28 1HB ARG 28 6.779 4.400 1.171
165 HG2 ARG 28 2HG ARG 28 7.536 1.600 1.983
166 HG3 ARG 28 1HG ARG 28 8.598 2.829 1.298
167 HD2 ARG 28 2HD ARG 28 8.262 4.226 3.271
168 HD3 ARG 28 1HD ARG 28 7.172 3.019 3.949
169 HE ARG 28 HE ARG 28 9.691 1.870 3.367
170 HH11 ARG 28 1HH1 ARG 28 8.046 3.938 5.659
171 HH12 ARG 28 2HH1 ARG 28 9.153 3.604 6.951
172 HH21 ARG 28 1HH2 ARG 28 11.160 1.421 5.073
173 HH22 ARG 28 2HH2 ARG 28 10.930 2.167 6.618
174 H ASN 29 H ASN 29 3.801 3.467 4.200
175 HA ASN 29 HA ASN 29 3.955 6.267 4.628
176 HB2 ASN 29 2HB ASN 29 2.070 4.790 5.372
177 HB3 ASN 29 1HB ASN 29 3.133 4.135 6.613
178 HD21 ASN 29 1HD2 ASN 29 0.713 6.225 6.131
179 HD22 ASN 29 2HD2 ASN 29 1.023 7.355 7.400
Start of MODEL 16
1 H1 GLY 1 H GLY 1 10.750 10.360 -2.236
2 HA2 GLY 1 2HA GLY 1 8.144 11.105 -2.327
3 HA3 GLY 1 1HA GLY 1 9.267 11.437 -3.638
4 H LEU 2 H LEU 2 9.723 8.988 -4.696
5 HA LEU 2 HA LEU 2 7.438 8.555 -6.281
6 HB2 LEU 2 2HB LEU 2 9.988 7.005 -5.922
7 HB3 LEU 2 1HB LEU 2 8.710 6.426 -6.968
8 HG LEU 2 HG LEU 2 10.205 7.499 -8.399
9 HD11 LEU 2 1HD1 LEU 2 8.961 9.208 -9.398
10 HD12 LEU 2 2HD1 LEU 2 8.264 9.718 -7.862
11 HD13 LEU 2 3HD1 LEU 2 7.774 8.187 -8.586
12 HD21 LEU 2 3HD2 LEU 2 11.028 9.825 -7.991
13 HD22 LEU 2 1HD2 LEU 2 11.632 8.620 -6.855
14 HD23 LEU 2 2HD2 LEU 2 10.340 9.719 -6.371
15 HA PRO 3 HA PRO 3 5.042 5.795 -3.843
16 HB2 PRO 3 2HB PRO 3 3.753 4.431 -5.816
17 HB3 PRO 3 1HB PRO 3 3.341 6.086 -5.355
18 HG2 PRO 3 2HG PRO 3 4.997 5.112 -7.647
19 HG3 PRO 3 1HG PRO 3 3.792 6.412 -7.608
20 HD2 PRO 3 2HD PRO 3 6.462 6.888 -7.527
21 HD3 PRO 3 1HD PRO 3 5.275 7.930 -6.713
22 H VAL 4 H VAL 4 5.835 4.106 -2.783
23 HA VAL 4 HA VAL 4 7.686 2.274 -3.930
24 HB VAL 4 HB VAL 4 6.214 2.009 -1.305
25 HG11 VAL 4 1HG1 VAL 4 7.989 0.272 -2.634
26 HG12 VAL 4 2HG1 VAL 4 7.363 0.137 -0.990
27 HG13 VAL 4 3HG1 VAL 4 8.881 0.982 -1.289
28 HG21 VAL 4 3HG2 VAL 4 7.517 3.565 -0.376
29 HG22 VAL 4 1HG2 VAL 4 7.895 4.071 -2.021
30 HG23 VAL 4 2HG2 VAL 4 8.963 2.949 -1.178
31 H CYS 5 H CYS 5 4.303 2.191 -3.093
32 HA CYS 5 HA CYS 5 3.965 -0.195 -4.742
33 HB2 CYS 5 2HB CYS 5 2.374 0.050 -2.216
34 HB3 CYS 5 1HB CYS 5 2.754 -1.388 -3.152
35 H GLY 6 H GLY 6 1.791 -0.442 -5.527
36 HA2 GLY 6 2HA GLY 6 0.122 1.977 -5.312
37 HA3 GLY 6 1HA GLY 6 0.532 1.324 -6.895
38 H GLU 7 H GLU 7 -0.176 -0.461 -3.972
39 HA GLU 7 HA GLU 7 -2.439 -1.721 -5.342
40 HB2 GLU 7 2HB GLU 7 -2.071 -3.548 -3.625
41 HB3 GLU 7 1HB GLU 7 -0.799 -3.349 -4.823
42 HG2 GLU 7 2HG GLU 7 0.526 -2.084 -3.201
43 HG3 GLU 7 1HG GLU 7 -0.746 -2.302 -2.001
44 H THR 8 H THR 8 -4.404 -1.930 -4.337
45 HA THR 8 HA THR 8 -4.890 -0.067 -2.172
46 HB THR 8 HB THR 8 -7.315 -0.843 -2.648
47 HG1 THR 8 1HG THR 8 -7.172 -1.405 -5.118
48 HG21 THR 8 3HG2 THR 8 -5.890 1.271 -3.485
49 HG22 THR 8 1HG2 THR 8 -7.565 0.996 -3.962
50 HG23 THR 8 2HG2 THR 8 -6.253 0.530 -5.044
51 H CYS 9 H CYS 9 -5.153 -0.673 -0.131
52 HA CYS 9 HA CYS 9 -5.029 -3.475 0.580
53 HB2 CYS 9 2HB CYS 9 -3.785 -1.640 1.796
54 HB3 CYS 9 1HB CYS 9 -5.344 -1.135 2.434
55 H VAL 10 H VAL 10 -7.337 -2.977 -0.783
56 HA VAL 10 HA VAL 10 -9.536 -2.286 0.817
57 HB VAL 10 HB VAL 10 -9.539 -4.111 -1.593
58 HG11 VAL 10 1HG1 VAL 10 -11.813 -2.393 -0.649
59 HG12 VAL 10 2HG1 VAL 10 -11.591 -4.043 -0.067
60 HG13 VAL 10 3HG1 VAL 10 -11.844 -3.741 -1.786
61 HG21 VAL 10 3HG2 VAL 10 -9.132 -2.341 -2.870
62 HG22 VAL 10 1HG2 VAL 10 -8.865 -1.381 -1.414
63 HG23 VAL 10 2HG2 VAL 10 -10.474 -1.464 -2.136
64 H GLY 11 H GLY 11 -7.980 -5.357 0.167
65 HA2 GLY 11 2HA GLY 11 -9.886 -6.793 1.839
66 HA3 GLY 11 1HA GLY 11 -8.567 -7.503 0.922
67 H GLY 12 H GLY 12 -7.890 -4.761 2.917
68 HA2 GLY 12 2HA GLY 12 -6.628 -4.502 4.812
69 HA3 GLY 12 1HA GLY 12 -7.395 -5.975 5.381
70 H THR 13 H THR 13 -5.237 -5.594 2.598
71 HA THR 13 HA THR 13 -3.048 -6.811 4.027
72 HB THR 13 HB THR 13 -4.425 -8.740 3.308
73 HG1 THR 13 1HG THR 13 -2.528 -9.641 3.252
74 HG21 THR 13 3HG2 THR 13 -5.318 -7.729 1.228
75 HG22 THR 13 1HG2 THR 13 -4.629 -9.332 0.978
76 HG23 THR 13 2HG2 THR 13 -3.721 -7.899 0.500
77 H CYS 14 H CYS 14 -1.093 -6.872 2.777
78 HA CYS 14 HA CYS 14 -1.041 -5.274 0.331
79 HB2 CYS 14 2HB CYS 14 0.689 -4.696 2.754
80 HB3 CYS 14 1HB CYS 14 0.892 -3.957 1.172
81 H ASN 15 H ASN 15 0.317 -6.123 -1.132
82 HA ASN 15 HA ASN 15 1.695 -8.567 -0.433
83 HB2 ASN 15 2HB ASN 15 0.364 -8.207 -2.553
84 HB3 ASN 15 1HB ASN 15 1.668 -7.169 -3.109
85 HD21 ASN 15 1HD2 ASN 15 3.073 -9.533 -1.276
86 HD22 ASN 15 2HD2 ASN 15 3.456 -10.659 -2.528
87 H THR 16 H THR 16 2.659 -5.368 -1.691
88 HA THR 16 HA THR 16 5.419 -6.030 -1.818
89 HB THR 16 HB THR 16 4.346 -3.227 -1.583
90 HG1 THR 16 1HG THR 16 3.105 -4.236 -3.176
91 HG21 THR 16 3HG2 THR 16 6.253 -2.627 -2.884
92 HG22 THR 16 1HG2 THR 16 6.627 -4.316 -3.233
93 HG23 THR 16 2HG2 THR 16 6.833 -3.686 -1.597
94 HA PRO 17 HA PRO 17 6.209 -5.840 2.587
95 HB2 PRO 17 2HB PRO 17 8.999 -6.171 1.661
96 HB3 PRO 17 1HB PRO 17 8.064 -7.166 2.781
97 HG2 PRO 17 2HG PRO 17 8.646 -8.018 0.309
98 HG3 PRO 17 1HG PRO 17 7.099 -8.406 1.084
99 HD2 PRO 17 2HD PRO 17 7.712 -6.347 -1.000
100 HD3 PRO 17 1HD PRO 17 6.303 -7.417 -0.855
101 H GLY 18 H GLY 18 6.444 -4.063 3.693
102 HA2 GLY 18 2HA GLY 18 7.964 -2.226 4.322
103 HA3 GLY 18 1HA GLY 18 8.171 -1.939 2.594
104 H CYS 19 H CYS 19 5.288 -2.584 2.125
105 HA CYS 19 HA CYS 19 4.342 0.101 2.763
106 HB2 CYS 19 2HB CYS 19 3.544 -1.977 0.784
107 HB3 CYS 19 1HB CYS 19 2.328 -0.809 1.301
108 H THR 20 H THR 20 2.880 0.589 4.212
109 HA THR 20 HA THR 20 1.774 -1.562 5.859
110 HB THR 20 HB THR 20 1.559 1.378 6.455
111 HG1 THR 20 1HG THR 20 3.832 -0.100 6.249
112 HG21 THR 20 3HG2 THR 20 1.669 0.541 8.794
113 HG22 THR 20 1HG2 THR 20 1.704 -1.106 8.166
114 HG23 THR 20 2HG2 THR 20 0.288 -0.090 7.897
115 H CYS 21 H CYS 21 -0.457 -1.707 6.282
116 HA CYS 21 HA CYS 21 -2.117 -0.908 4.117
117 HB2 CYS 21 2HB CYS 21 -2.476 -3.015 5.345
118 HB3 CYS 21 1HB CYS 21 -2.926 -2.091 6.776
119 H SER 22 H SER 22 -3.283 0.829 3.860
120 HA SER 22 HA SER 22 -4.132 2.415 6.166
121 HB2 SER 22 2HB SER 22 -2.060 3.462 5.209
122 HB3 SER 22 1HB SER 22 -2.883 3.595 3.656
123 HG SER 22 HG SER 22 -4.430 4.936 4.689
124 H TRP 23 H TRP 23 -5.852 0.876 5.417
125 HA TRP 23 HA TRP 23 -7.264 0.562 3.260
126 HB2 TRP 23 2HB TRP 23 -7.868 0.042 5.737
127 HB3 TRP 23 1HB TRP 23 -8.846 1.500 5.622
128 HD1 TRP 23 HD TRP 23 -8.561 -2.020 4.099
129 HE1 TRP 23 1HE TRP 23 -10.841 -2.672 3.102
130 HE3 TRP 23 3HE TRP 23 -11.012 2.419 4.739
131 HZ2 TRP 23 2HZ TRP 23 -13.351 -1.456 2.647
132 HZ3 TRP 23 3HZ TRP 23 -13.351 2.592 3.994
133 HH2 TRP 23 HH TRP 23 -14.494 0.694 2.969
134 HA PRO 24 HA PRO 24 -8.375 0.402 1.946
135 HB2 PRO 24 2HB PRO 24 -9.431 0.934 -0.440
136 HB3 PRO 24 1HB PRO 24 -10.410 0.996 1.030
137 HG2 PRO 24 2HG PRO 24 -9.388 3.208 -0.648
138 HG3 PRO 24 1HG PRO 24 -10.812 3.158 0.403
139 HD2 PRO 24 2HD PRO 24 -8.208 4.235 0.985
140 HD3 PRO 24 1HD PRO 24 -9.638 4.199 2.035
141 H VAL 25 H VAL 25 -5.921 2.188 1.797
142 HA VAL 25 HA VAL 25 -4.820 0.983 -0.651
143 HB VAL 25 HB VAL 25 -3.546 3.081 -1.143
144 HG11 VAL 25 1HG1 VAL 25 -5.450 4.270 -2.196
145 HG12 VAL 25 2HG1 VAL 25 -6.551 3.214 -1.310
146 HG13 VAL 25 3HG1 VAL 25 -5.446 2.533 -2.503
147 HG21 VAL 25 3HG2 VAL 25 -5.006 3.978 1.226
148 HG22 VAL 25 1HG2 VAL 25 -5.085 5.099 -0.135
149 HG23 VAL 25 2HG2 VAL 25 -3.521 4.596 0.505
150 H CYS 26 H CYS 26 -2.596 0.527 -0.612
151 HA CYS 26 HA CYS 26 -1.483 0.332 2.055
152 HB2 CYS 26 2HB CYS 26 -0.379 -0.539 -0.627
153 HB3 CYS 26 1HB CYS 26 0.373 -0.878 0.930
154 H THR 27 H THR 27 -0.175 1.793 2.946
155 HA THR 27 HA THR 27 0.940 3.890 1.226
156 HB THR 27 HB THR 27 -0.511 4.573 3.148
157 HG1 THR 27 1HG THR 27 0.905 6.236 3.795
158 HG21 THR 27 3HG2 THR 27 1.707 4.062 5.055
159 HG22 THR 27 1HG2 THR 27 0.693 2.690 4.608
160 HG23 THR 27 2HG2 THR 27 -0.034 4.124 5.333
161 H ARG 28 H ARG 28 3.078 4.813 2.374
162 HA ARG 28 HA ARG 28 4.907 2.536 2.454
163 HB2 ARG 28 2HB ARG 28 6.664 4.075 1.909
164 HB3 ARG 28 1HB ARG 28 5.318 4.417 0.835
165 HG2 ARG 28 2HG ARG 28 4.682 6.310 2.281
166 HG3 ARG 28 1HG ARG 28 6.093 5.983 3.289
167 HD2 ARG 28 2HD ARG 28 6.801 7.685 1.859
168 HD3 ARG 28 1HD ARG 28 7.448 6.217 1.130
169 HE ARG 28 HE ARG 28 4.915 6.797 0.032
170 HH11 ARG 28 1HH1 ARG 28 8.233 7.891 -0.036
171 HH12 ARG 28 2HH1 ARG 28 8.110 8.602 -1.610
172 HH21 ARG 28 1HH2 ARG 28 4.728 7.760 -2.040
173 HH22 ARG 28 2HH2 ARG 28 6.105 8.540 -2.754
174 H ASN 29 H ASN 29 6.073 2.042 4.252
175 HA ASN 29 HA ASN 29 5.208 3.206 6.709
176 HB2 ASN 29 2HB ASN 29 5.724 0.847 6.680
177 HB3 ASN 29 1HB ASN 29 7.360 1.164 6.110
178 HD21 ASN 29 1HD2 ASN 29 8.803 0.863 7.636
179 HD22 ASN 29 2HD2 ASN 29 8.609 1.226 9.314
Start of MODEL 17
1 H1 GLY 1 H GLY 1 12.810 -0.917 3.223
2 HA2 GLY 1 2HA GLY 1 11.100 -2.444 2.045
3 HA3 GLY 1 1HA GLY 1 9.934 -1.400 2.844
4 H LEU 2 H LEU 2 10.889 -1.944 -0.049
5 HA LEU 2 HA LEU 2 11.739 0.675 -0.920
6 HB2 LEU 2 2HB LEU 2 12.380 -1.596 -1.952
7 HB3 LEU 2 1HB LEU 2 10.785 -1.575 -2.679
8 HG LEU 2 HG LEU 2 11.370 0.551 -3.825
9 HD11 LEU 2 1HD1 LEU 2 13.552 1.435 -3.802
10 HD12 LEU 2 2HD1 LEU 2 14.200 0.029 -2.957
11 HD13 LEU 2 3HD1 LEU 2 13.140 1.156 -2.110
12 HD21 LEU 2 3HD2 LEU 2 11.696 -1.042 -5.374
13 HD22 LEU 2 1HD2 LEU 2 12.642 -2.054 -4.283
14 HD23 LEU 2 2HD2 LEU 2 13.405 -0.697 -5.112
15 HA PRO 3 HA PRO 3 7.598 2.264 -1.259
16 HB2 PRO 3 2HB PRO 3 8.669 4.241 -3.143
17 HB3 PRO 3 1HB PRO 3 7.984 4.479 -1.534
18 HG2 PRO 3 2HG PRO 3 10.610 4.793 -2.019
19 HG3 PRO 3 1HG PRO 3 10.008 4.157 -0.477
20 HD2 PRO 3 2HD PRO 3 11.153 2.676 -2.820
21 HD3 PRO 3 1HD PRO 3 11.456 2.445 -1.083
22 H VAL 4 H VAL 4 7.762 0.060 -2.843
23 HA VAL 4 HA VAL 4 7.067 0.806 -5.591
24 HB VAL 4 HB VAL 4 6.936 -1.964 -4.450
25 HG11 VAL 4 1HG1 VAL 4 7.356 -2.692 -6.689
26 HG12 VAL 4 2HG1 VAL 4 7.733 -1.049 -7.210
27 HG13 VAL 4 3HG1 VAL 4 6.083 -1.472 -6.752
28 HG21 VAL 4 3HG2 VAL 4 9.145 -0.793 -3.914
29 HG22 VAL 4 1HG2 VAL 4 9.456 -0.868 -5.648
30 HG23 VAL 4 2HG2 VAL 4 9.224 -2.356 -4.729
31 H CYS 5 H CYS 5 5.489 1.354 -3.109
32 HA CYS 5 HA CYS 5 3.197 -0.226 -2.979
33 HB2 CYS 5 2HB CYS 5 3.330 2.707 -2.323
34 HB3 CYS 5 1HB CYS 5 2.214 1.517 -1.670
35 H GLY 6 H GLY 6 1.039 0.391 -3.472
36 HA2 GLY 6 2HA GLY 6 -0.002 2.220 -5.164
37 HA3 GLY 6 1HA GLY 6 0.736 1.050 -6.261
38 H GLU 7 H GLU 7 0.374 -1.059 -4.314
39 HA GLU 7 HA GLU 7 -1.974 -2.255 -5.192
40 HB2 GLU 7 2HB GLU 7 -0.086 -3.478 -4.303
41 HB3 GLU 7 1HB GLU 7 -0.304 -2.739 -2.733
42 HG2 GLU 7 2HG GLU 7 -2.498 -3.893 -2.576
43 HG3 GLU 7 1HG GLU 7 -2.096 -4.736 -4.074
44 H THR 8 H THR 8 -3.921 -2.651 -4.161
45 HA THR 8 HA THR 8 -4.732 -0.555 -2.306
46 HB THR 8 HB THR 8 -7.060 -1.562 -2.898
47 HG1 THR 8 1HG THR 8 -6.361 -2.170 -5.388
48 HG21 THR 8 3HG2 THR 8 -7.272 -0.031 -4.733
49 HG22 THR 8 1HG2 THR 8 -5.534 -0.073 -5.032
50 HG23 THR 8 2HG2 THR 8 -6.159 0.677 -3.562
51 H CYS 9 H CYS 9 -5.141 -0.957 -0.263
52 HA CYS 9 HA CYS 9 -5.023 -3.679 0.753
53 HB2 CYS 9 2HB CYS 9 -3.807 -1.772 1.840
54 HB3 CYS 9 1HB CYS 9 -5.376 -1.107 2.274
55 H VAL 10 H VAL 10 -7.230 -3.279 -0.805
56 HA VAL 10 HA VAL 10 -9.501 -2.387 0.555
57 HB VAL 10 HB VAL 10 -9.522 -2.636 -1.856
58 HG11 VAL 10 1HG1 VAL 10 -8.717 -5.374 -1.231
59 HG12 VAL 10 2HG1 VAL 10 -8.442 -4.409 -2.681
60 HG13 VAL 10 3HG1 VAL 10 -9.971 -5.259 -2.465
61 HG21 VAL 10 3HG2 VAL 10 -11.720 -3.285 -2.087
62 HG22 VAL 10 1HG2 VAL 10 -11.625 -2.978 -0.352
63 HG23 VAL 10 2HG2 VAL 10 -11.553 -4.632 -0.961
64 H GLY 11 H GLY 11 -7.990 -5.548 0.432
65 HA2 GLY 11 2HA GLY 11 -10.086 -6.675 2.133
66 HA3 GLY 11 1HA GLY 11 -8.789 -7.572 1.361
67 H GLY 12 H GLY 12 -8.117 -4.645 3.121
68 HA2 GLY 12 2HA GLY 12 -6.923 -4.243 5.037
69 HA3 GLY 12 1HA GLY 12 -7.716 -5.665 5.691
70 H THR 13 H THR 13 -5.501 -5.550 2.943
71 HA THR 13 HA THR 13 -3.330 -6.618 4.512
72 HB THR 13 HB THR 13 -4.728 -8.609 3.954
73 HG1 THR 13 1HG THR 13 -2.894 -9.644 3.938
74 HG21 THR 13 3HG2 THR 13 -4.180 -9.273 1.396
75 HG22 THR 13 1HG2 THR 13 -4.379 -7.527 1.234
76 HG23 THR 13 2HG2 THR 13 -5.683 -8.506 1.908
77 H CYS 14 H CYS 14 -1.377 -6.915 3.167
78 HA CYS 14 HA CYS 14 -1.373 -5.495 0.623
79 HB2 CYS 14 2HB CYS 14 0.324 -4.665 2.989
80 HB3 CYS 14 1HB CYS 14 0.595 -4.118 1.340
81 H ASN 15 H ASN 15 -0.296 -6.705 -0.753
82 HA ASN 15 HA ASN 15 1.417 -8.841 0.145
83 HB2 ASN 15 2HB ASN 15 -0.038 -9.222 -1.757
84 HB3 ASN 15 1HB ASN 15 0.668 -7.859 -2.617
85 HD21 ASN 15 1HD2 ASN 15 2.119 -8.354 -4.077
86 HD22 ASN 15 2HD2 ASN 15 3.093 -9.778 -4.109
87 H THR 16 H THR 16 1.790 -5.701 -1.384
88 HA THR 16 HA THR 16 4.498 -5.915 -2.121
89 HB THR 16 HB THR 16 3.163 -3.339 -1.294
90 HG1 THR 16 1HG THR 16 1.761 -4.492 -2.728
91 HG21 THR 16 3HG2 THR 16 5.672 -3.623 -2.021
92 HG22 THR 16 1HG2 THR 16 4.710 -2.281 -2.643
93 HG23 THR 16 2HG2 THR 16 4.976 -3.711 -3.641
94 HA PRO 17 HA PRO 17 6.166 -6.072 2.056
95 HB2 PRO 17 2HB PRO 17 8.716 -6.112 0.564
96 HB3 PRO 17 1HB PRO 17 8.096 -7.258 1.755
97 HG2 PRO 17 2HG PRO 17 8.193 -7.874 -0.847
98 HG3 PRO 17 1HG PRO 17 6.861 -8.424 0.187
99 HD2 PRO 17 2HD PRO 17 6.926 -6.174 -1.786
100 HD3 PRO 17 1HD PRO 17 5.635 -7.350 -1.459
101 H GLY 18 H GLY 18 6.608 -4.446 3.322
102 HA2 GLY 18 2HA GLY 18 7.885 -2.569 4.001
103 HA3 GLY 18 1HA GLY 18 8.225 -2.225 2.310
104 H CYS 19 H CYS 19 5.235 -2.793 1.799
105 HA CYS 19 HA CYS 19 4.467 -0.021 2.298
106 HB2 CYS 19 2HB CYS 19 3.125 -2.179 0.664
107 HB3 CYS 19 1HB CYS 19 2.553 -0.517 0.801
108 H THR 20 H THR 20 3.219 0.589 3.890
109 HA THR 20 HA THR 20 1.943 -1.382 5.580
110 HB THR 20 HB THR 20 1.381 0.843 6.853
111 HG1 THR 20 1HG THR 20 2.295 1.992 4.863
112 HG21 THR 20 3HG2 THR 20 2.889 -0.093 8.202
113 HG22 THR 20 1HG2 THR 20 4.161 0.692 7.267
114 HG23 THR 20 2HG2 THR 20 3.629 -0.934 6.839
115 H CYS 21 H CYS 21 -0.259 -1.485 5.956
116 HA CYS 21 HA CYS 21 -1.929 -0.719 3.805
117 HB2 CYS 21 2HB CYS 21 -2.395 -2.746 5.038
118 HB3 CYS 21 1HB CYS 21 -2.617 -1.832 6.527
119 H SER 22 H SER 22 -3.083 1.007 3.472
120 HA SER 22 HA SER 22 -3.884 2.731 5.693
121 HB2 SER 22 2HB SER 22 -1.836 3.738 4.679
122 HB3 SER 22 1HB SER 22 -2.637 3.735 3.108
123 HG SER 22 HG SER 22 -4.209 5.143 4.001
124 H TRP 23 H TRP 23 -5.638 1.197 5.097
125 HA TRP 23 HA TRP 23 -7.076 0.728 2.987
126 HB2 TRP 23 2HB TRP 23 -7.673 0.390 5.478
127 HB3 TRP 23 1HB TRP 23 -8.592 1.880 5.301
128 HD1 TRP 23 HD TRP 23 -8.509 -1.741 4.013
129 HE1 TRP 23 1HE TRP 23 -10.833 -2.337 3.084
130 HE3 TRP 23 3HE TRP 23 -10.710 2.856 4.354
131 HZ2 TRP 23 2HZ TRP 23 -13.280 -1.024 2.565
132 HZ3 TRP 23 3HZ TRP 23 -13.045 3.103 3.619
133 HH2 TRP 23 HH TRP 23 -14.302 1.203 2.741
134 HA PRO 24 HA PRO 24 -8.207 0.471 1.710
135 HB2 PRO 24 2HB PRO 24 -9.261 0.807 -0.710
136 HB3 PRO 24 1HB PRO 24 -10.234 1.022 0.749
137 HG2 PRO 24 2HG PRO 24 -9.164 3.055 -1.118
138 HG3 PRO 24 1HG PRO 24 -10.596 3.123 -0.082
139 HD2 PRO 24 2HD PRO 24 -7.987 4.213 0.426
140 HD3 PRO 24 1HD PRO 24 -9.419 4.271 1.474
141 H VAL 25 H VAL 25 -5.733 2.248 1.368
142 HA VAL 25 HA VAL 25 -4.672 0.788 -0.956
143 HB VAL 25 HB VAL 25 -3.374 2.824 -1.647
144 HG11 VAL 25 1HG1 VAL 25 -5.796 3.970 -2.324
145 HG12 VAL 25 2HG1 VAL 25 -6.191 2.270 -2.061
146 HG13 VAL 25 3HG1 VAL 25 -4.942 2.716 -3.224
147 HG21 VAL 25 3HG2 VAL 25 -3.562 4.132 0.383
148 HG22 VAL 25 1HG2 VAL 25 -5.314 4.222 0.193
149 HG23 VAL 25 2HG2 VAL 25 -4.259 5.023 -0.972
150 H CYS 26 H CYS 26 -2.545 0.201 -0.877
151 HA CYS 26 HA CYS 26 -1.281 0.318 1.731
152 HB2 CYS 26 2HB CYS 26 -0.303 -0.958 -0.836
153 HB3 CYS 26 1HB CYS 26 0.347 -1.230 0.779
154 H THR 27 H THR 27 0.381 1.669 2.282
155 HA THR 27 HA THR 27 1.832 3.024 0.131
156 HB THR 27 HB THR 27 0.037 4.571 0.725
157 HG1 THR 27 1HG THR 27 1.450 6.353 1.332
158 HG21 THR 27 3HG2 THR 27 0.786 5.521 3.251
159 HG22 THR 27 1HG2 THR 27 0.700 3.766 3.406
160 HG23 THR 27 2HG2 THR 27 -0.699 4.670 2.827
161 H ARG 28 H ARG 28 3.795 4.035 0.833
162 HA ARG 28 HA ARG 28 5.094 2.470 2.903
163 HB2 ARG 28 2HB ARG 28 6.012 3.092 0.528
164 HB3 ARG 28 1HB ARG 28 6.455 4.610 1.293
165 HG2 ARG 28 2HG ARG 28 7.335 1.914 2.307
166 HG3 ARG 28 1HG ARG 28 8.272 2.894 1.180
167 HD2 ARG 28 2HD ARG 28 8.299 4.716 2.860
168 HD3 ARG 28 1HD ARG 28 7.460 3.652 3.985
169 HE ARG 28 HE ARG 28 10.237 3.673 3.408
170 HH11 ARG 28 1HH1 ARG 28 7.608 1.517 4.244
171 HH12 ARG 28 2HH1 ARG 28 8.645 0.307 4.915
172 HH21 ARG 28 1HH2 ARG 28 11.607 2.079 4.301
173 HH22 ARG 28 2HH2 ARG 28 10.927 0.620 4.939
174 H ASN 29 H ASN 29 3.966 3.417 4.701
175 HA ASN 29 HA ASN 29 4.165 6.203 5.277
176 HB2 ASN 29 2HB ASN 29 2.346 4.940 6.242
177 HB3 ASN 29 1HB ASN 29 3.471 3.840 7.033
178 HD21 ASN 29 1HD2 ASN 29 3.559 4.182 9.123
179 HD22 ASN 29 2HD2 ASN 29 3.484 5.717 9.912
Start of MODEL 18
1 H1 GLY 1 H GLY 1 15.836 2.767 -5.054
2 HA2 GLY 1 2HA GLY 1 14.002 0.728 -6.151
3 HA3 GLY 1 1HA GLY 1 15.133 0.379 -4.851
4 H LEU 2 H LEU 2 13.123 3.239 -5.318
5 HA LEU 2 HA LEU 2 12.204 3.136 -2.607
6 HB2 LEU 2 2HB LEU 2 12.631 5.246 -3.873
7 HB3 LEU 2 1HB LEU 2 11.246 4.881 -4.882
8 HG LEU 2 HG LEU 2 9.823 4.947 -2.811
9 HD11 LEU 2 1HD1 LEU 2 11.959 6.473 -1.435
10 HD12 LEU 2 2HD1 LEU 2 12.056 4.712 -1.401
11 HD13 LEU 2 3HD1 LEU 2 10.627 5.529 -0.768
12 HD21 LEU 2 3HD2 LEU 2 9.613 7.306 -2.826
13 HD22 LEU 2 1HD2 LEU 2 10.133 6.841 -4.446
14 HD23 LEU 2 2HD2 LEU 2 11.295 7.523 -3.307
15 HA PRO 3 HA PRO 3 8.801 0.389 -3.535
16 HB2 PRO 3 2HB PRO 3 7.888 1.075 -0.824
17 HB3 PRO 3 1HB PRO 3 8.355 -0.494 -1.486
18 HG2 PRO 3 2HG PRO 3 9.891 0.808 0.293
19 HG3 PRO 3 1HG PRO 3 10.589 -0.183 -1.002
20 HD2 PRO 3 2HD PRO 3 10.308 2.795 -0.834
21 HD3 PRO 3 1HD PRO 3 11.670 1.823 -1.431
22 H VAL 4 H VAL 4 7.539 1.477 -4.979
23 HA VAL 4 HA VAL 4 6.089 3.849 -4.326
24 HB VAL 4 HB VAL 4 5.653 1.971 -6.654
25 HG11 VAL 4 1HG1 VAL 4 4.988 4.899 -6.511
26 HG12 VAL 4 2HG1 VAL 4 3.832 3.637 -6.085
27 HG13 VAL 4 3HG1 VAL 4 4.483 3.721 -7.722
28 HG21 VAL 4 3HG2 VAL 4 7.080 4.492 -7.113
29 HG22 VAL 4 1HG2 VAL 4 7.389 2.878 -7.753
30 HG23 VAL 4 2HG2 VAL 4 7.960 3.312 -6.142
31 H CYS 5 H CYS 5 5.299 0.465 -4.683
32 HA CYS 5 HA CYS 5 3.583 -0.831 -4.032
33 HB2 CYS 5 2HB CYS 5 3.301 1.377 -2.004
34 HB3 CYS 5 1HB CYS 5 2.416 -0.144 -1.926
35 H GLY 6 H GLY 6 1.417 1.415 -2.750
36 HA2 GLY 6 2HA GLY 6 -0.461 2.473 -3.610
37 HA3 GLY 6 1HA GLY 6 0.126 2.126 -5.233
38 H GLU 7 H GLU 7 0.154 -0.521 -3.167
39 HA GLU 7 HA GLU 7 -1.772 -1.965 -4.680
40 HB2 GLU 7 2HB GLU 7 -0.531 -2.681 -2.023
41 HB3 GLU 7 1HB GLU 7 -1.300 -3.787 -3.148
42 HG2 GLU 7 2HG GLU 7 0.455 -3.640 -4.681
43 HG3 GLU 7 1HG GLU 7 1.104 -2.182 -3.930
44 H THR 8 H THR 8 -3.862 -2.487 -4.154
45 HA THR 8 HA THR 8 -5.172 -0.792 -2.274
46 HB THR 8 HB THR 8 -7.188 -2.201 -2.914
47 HG1 THR 8 1HG THR 8 -5.738 -3.980 -3.651
48 HG21 THR 8 3HG2 THR 8 -6.927 -0.097 -3.973
49 HG22 THR 8 1HG2 THR 8 -7.226 -1.254 -5.269
50 HG23 THR 8 2HG2 THR 8 -5.587 -0.680 -4.960
51 H CYS 9 H CYS 9 -5.509 -1.160 -0.237
52 HA CYS 9 HA CYS 9 -5.105 -3.855 0.866
53 HB2 CYS 9 2HB CYS 9 -3.714 -1.945 1.710
54 HB3 CYS 9 1HB CYS 9 -5.197 -1.215 2.308
55 H VAL 10 H VAL 10 -7.490 -3.271 -0.465
56 HA VAL 10 HA VAL 10 -9.544 -2.332 1.148
57 HB VAL 10 HB VAL 10 -9.848 -2.602 -1.244
58 HG11 VAL 10 1HG1 VAL 10 -8.821 -4.454 -2.045
59 HG12 VAL 10 2HG1 VAL 10 -10.453 -5.110 -1.901
60 HG13 VAL 10 3HG1 VAL 10 -9.257 -5.438 -0.647
61 HG21 VAL 10 3HG2 VAL 10 -11.971 -2.507 -0.528
62 HG22 VAL 10 1HG2 VAL 10 -11.721 -3.748 0.698
63 HG23 VAL 10 2HG2 VAL 10 -12.019 -4.211 -0.975
64 H GLY 11 H GLY 11 -8.148 -5.532 0.912
65 HA2 GLY 11 2HA GLY 11 -10.036 -6.514 2.937
66 HA3 GLY 11 1HA GLY 11 -9.009 -7.523 1.929
67 H GLY 12 H GLY 12 -7.771 -4.673 3.506
68 HA2 GLY 12 2HA GLY 12 -6.203 -4.380 5.151
69 HA3 GLY 12 1HA GLY 12 -6.914 -5.782 5.932
70 H THR 13 H THR 13 -5.361 -5.765 2.767
71 HA THR 13 HA THR 13 -2.941 -6.921 3.821
72 HB THR 13 HB THR 13 -4.452 -8.862 3.675
73 HG1 THR 13 1HG THR 13 -2.613 -9.255 1.595
74 HG21 THR 13 3HG2 THR 13 -4.851 -9.667 1.231
75 HG22 THR 13 1HG2 THR 13 -4.704 -7.953 0.840
76 HG23 THR 13 2HG2 THR 13 -5.957 -8.498 1.954
77 H CYS 14 H CYS 14 -1.301 -7.169 2.225
78 HA CYS 14 HA CYS 14 -1.757 -6.096 -0.423
79 HB2 CYS 14 2HB CYS 14 -0.061 -4.679 1.628
80 HB3 CYS 14 1HB CYS 14 0.199 -4.467 -0.101
81 H ASN 15 H ASN 15 1.171 -5.630 -0.812
82 HA ASN 15 HA ASN 15 2.108 -8.408 -0.478
83 HB2 ASN 15 2HB ASN 15 2.260 -6.768 -3.011
84 HB3 ASN 15 1HB ASN 15 3.051 -8.320 -2.773
85 HD21 ASN 15 1HD2 ASN 15 0.392 -6.817 -3.985
86 HD22 ASN 15 2HD2 ASN 15 -0.690 -8.161 -4.056
87 H THR 16 H THR 16 3.209 -5.162 -1.540
88 HA THR 16 HA THR 16 5.940 -5.730 -1.146
89 HB THR 16 HB THR 16 4.626 -3.013 -1.192
90 HG1 THR 16 1HG THR 16 4.181 -4.183 -3.100
91 HG21 THR 16 3HG2 THR 16 6.670 -2.120 -1.047
92 HG22 THR 16 1HG2 THR 16 7.283 -3.190 -2.308
93 HG23 THR 16 2HG2 THR 16 7.276 -3.720 -0.625
94 HA PRO 17 HA PRO 17 5.955 -5.507 3.337
95 HB2 PRO 17 2HB PRO 17 8.559 -6.305 3.564
96 HB3 PRO 17 1HB PRO 17 7.215 -7.435 3.364
97 HG2 PRO 17 2HG PRO 17 9.143 -6.403 1.329
98 HG3 PRO 17 1HG PRO 17 8.487 -8.039 1.525
99 HD2 PRO 17 2HD PRO 17 7.561 -6.300 -0.338
100 HD3 PRO 17 1HD PRO 17 6.529 -7.519 0.432
101 H GLY 18 H GLY 18 6.221 -3.684 4.339
102 HA2 GLY 18 2HA GLY 18 7.940 -2.045 5.110
103 HA3 GLY 18 1HA GLY 18 8.330 -1.854 3.400
104 H CYS 19 H CYS 19 5.467 -2.196 2.653
105 HA CYS 19 HA CYS 19 4.747 0.594 3.161
106 HB2 CYS 19 2HB CYS 19 3.850 -1.454 1.170
107 HB3 CYS 19 1HB CYS 19 2.819 -0.068 1.516
108 H THR 20 H THR 20 3.219 1.228 4.510
109 HA THR 20 HA THR 20 1.884 -0.783 6.115
110 HB THR 20 HB THR 20 1.592 2.193 6.433
111 HG1 THR 20 1HG THR 20 3.648 2.282 6.927
112 HG21 THR 20 3HG2 THR 20 1.014 1.731 8.645
113 HG22 THR 20 1HG2 THR 20 1.759 0.134 8.604
114 HG23 THR 20 2HG2 THR 20 0.243 0.421 7.749
115 H CYS 21 H CYS 21 -0.315 -1.000 6.311
116 HA CYS 21 HA CYS 21 -1.846 -0.407 3.988
117 HB2 CYS 21 2HB CYS 21 -2.220 -2.478 5.195
118 HB3 CYS 21 1HB CYS 21 -2.653 -1.590 6.651
119 H SER 22 H SER 22 -2.950 1.348 3.561
120 HA SER 22 HA SER 22 -4.002 2.983 5.758
121 HB2 SER 22 2HB SER 22 -2.796 4.028 3.174
122 HB3 SER 22 1HB SER 22 -3.483 5.007 4.472
123 HG SER 22 HG SER 22 -1.568 3.281 5.358
124 H TRP 23 H TRP 23 -5.651 1.364 5.196
125 HA TRP 23 HA TRP 23 -7.073 0.717 3.145
126 HB2 TRP 23 2HB TRP 23 -7.678 0.567 5.664
127 HB3 TRP 23 1HB TRP 23 -8.665 1.988 5.341
128 HD1 TRP 23 HD TRP 23 -8.371 -1.719 4.360
129 HE1 TRP 23 1HE TRP 23 -10.650 -2.517 3.470
130 HE3 TRP 23 3HE TRP 23 -10.828 2.761 4.321
131 HZ2 TRP 23 2HZ TRP 23 -13.160 -1.388 2.835
132 HZ3 TRP 23 3HZ TRP 23 -13.166 2.818 3.555
133 HH2 TRP 23 HH TRP 23 -14.306 0.785 2.826
134 HA PRO 24 HA PRO 24 -8.187 0.330 1.879
135 HB2 PRO 24 2HB PRO 24 -9.161 0.444 -0.591
136 HB3 PRO 24 1HB PRO 24 -10.191 0.752 0.811
137 HG2 PRO 24 2HG PRO 24 -9.067 2.660 -1.162
138 HG3 PRO 24 1HG PRO 24 -10.571 2.759 -0.234
139 HD2 PRO 24 2HD PRO 24 -8.068 4.005 0.359
140 HD3 PRO 24 1HD PRO 24 -9.547 4.024 1.340
141 H VAL 25 H VAL 25 -5.743 2.158 1.466
142 HA VAL 25 HA VAL 25 -4.520 0.471 -0.599
143 HB VAL 25 HB VAL 25 -3.329 2.505 -1.552
144 HG11 VAL 25 1HG1 VAL 25 -5.939 1.447 -2.114
145 HG12 VAL 25 2HG1 VAL 25 -4.695 2.009 -3.228
146 HG13 VAL 25 3HG1 VAL 25 -5.857 3.152 -2.557
147 HG21 VAL 25 3HG2 VAL 25 -3.982 4.633 -1.093
148 HG22 VAL 25 1HG2 VAL 25 -4.371 3.896 0.462
149 HG23 VAL 25 2HG2 VAL 25 -5.643 4.164 -0.729
150 H CYS 26 H CYS 26 -2.419 -0.034 -0.268
151 HA CYS 26 HA CYS 26 -1.244 0.762 2.261
152 HB2 CYS 26 2HB CYS 26 -0.337 -1.150 0.110
153 HB3 CYS 26 1HB CYS 26 0.623 -0.788 1.542
154 H THR 27 H THR 27 0.557 2.010 2.554
155 HA THR 27 HA THR 27 2.004 2.982 0.236
156 HB THR 27 HB THR 27 0.195 4.608 0.419
157 HG1 THR 27 1HG THR 27 1.503 6.401 0.403
158 HG21 THR 27 3HG2 THR 27 -0.216 5.930 2.345
159 HG22 THR 27 1HG2 THR 27 1.226 5.319 3.156
160 HG23 THR 27 2HG2 THR 27 -0.159 4.257 2.899
161 H ARG 28 H ARG 28 3.931 4.146 0.835
162 HA ARG 28 HA ARG 28 5.173 2.948 3.146
163 HB2 ARG 28 2HB ARG 28 7.229 4.103 2.286
164 HB3 ARG 28 1HB ARG 28 6.478 2.989 1.153
165 HG2 ARG 28 2HG ARG 28 5.495 4.828 -0.064
166 HG3 ARG 28 1HG ARG 28 6.118 5.980 1.120
167 HD2 ARG 28 2HD ARG 28 7.760 4.207 -0.686
168 HD3 ARG 28 1HD ARG 28 7.518 5.943 -0.872
169 HE ARG 28 HE ARG 28 9.395 4.654 0.822
170 HH11 ARG 28 1HH1 ARG 28 7.345 7.482 0.610
171 HH12 ARG 28 2HH1 ARG 28 8.291 8.415 1.720
172 HH21 ARG 28 1HH2 ARG 28 10.656 5.882 2.286
173 HH22 ARG 28 2HH2 ARG 28 10.182 7.502 2.675
174 H ASN 29 H ASN 29 3.280 4.460 4.188
175 HA ASN 29 HA ASN 29 4.196 7.129 4.780
176 HB2 ASN 29 2HB ASN 29 2.216 7.318 6.168
177 HB3 ASN 29 1HB ASN 29 1.777 6.578 4.634
178 HD21 ASN 29 1HD2 ASN 29 1.202 6.444 7.812
179 HD22 ASN 29 2HD2 ASN 29 0.768 4.783 7.980
Start of MODEL 19
1 H1 GLY 1 H GLY 1 3.436 10.088 -0.776
2 HA2 GLY 1 2HA GLY 1 5.764 10.304 0.555
3 HA3 GLY 1 1HA GLY 1 5.280 8.654 0.928
4 H LEU 2 H LEU 2 6.708 7.483 -0.226
5 HA LEU 2 HA LEU 2 7.364 8.191 -2.954
6 HB2 LEU 2 2HB LEU 2 9.067 7.264 -1.426
7 HB3 LEU 2 1HB LEU 2 8.143 5.781 -1.307
8 HG LEU 2 HG LEU 2 8.481 5.448 -3.766
9 HD11 LEU 2 1HD1 LEU 2 9.126 7.233 -4.931
10 HD12 LEU 2 2HD1 LEU 2 10.741 6.929 -4.292
11 HD13 LEU 2 3HD1 LEU 2 9.677 8.081 -3.485
12 HD21 LEU 2 3HD2 LEU 2 9.973 4.590 -1.803
13 HD22 LEU 2 1HD2 LEU 2 11.163 5.698 -2.485
14 HD23 LEU 2 2HD2 LEU 2 10.504 4.394 -3.473
15 HA PRO 3 HA PRO 3 3.924 5.762 -4.485
16 HB2 PRO 3 2HB PRO 3 4.940 6.341 -7.152
17 HB3 PRO 3 1HB PRO 3 3.460 6.908 -6.380
18 HG2 PRO 3 2HG PRO 3 5.557 8.541 -6.926
19 HG3 PRO 3 1HG PRO 3 4.456 8.804 -5.559
20 HD2 PRO 3 2HD PRO 3 7.195 7.589 -5.584
21 HD3 PRO 3 1HD PRO 3 6.474 8.724 -4.422
22 H VAL 4 H VAL 4 6.060 4.236 -3.625
23 HA VAL 4 HA VAL 4 7.070 2.620 -5.783
24 HB VAL 4 HB VAL 4 8.424 2.963 -3.785
25 HG11 VAL 4 1HG1 VAL 4 7.862 1.847 -1.661
26 HG12 VAL 4 2HG1 VAL 4 6.272 1.465 -2.320
27 HG13 VAL 4 3HG1 VAL 4 6.747 3.147 -2.083
28 HG21 VAL 4 3HG2 VAL 4 9.371 1.047 -4.370
29 HG22 VAL 4 1HG2 VAL 4 7.828 0.423 -4.951
30 HG23 VAL 4 2HG2 VAL 4 8.285 0.211 -3.261
31 H CYS 5 H CYS 5 4.682 2.359 -3.281
32 HA CYS 5 HA CYS 5 3.672 -0.143 -4.415
33 HB2 CYS 5 2HB CYS 5 3.006 1.168 -1.771
34 HB3 CYS 5 1HB CYS 5 2.436 -0.404 -2.317
35 H GLY 6 H GLY 6 1.173 -0.294 -4.204
36 HA2 GLY 6 2HA GLY 6 -0.418 2.013 -4.291
37 HA3 GLY 6 1HA GLY 6 0.055 1.623 -5.938
38 H GLU 7 H GLU 7 -0.406 -0.845 -3.523
39 HA GLU 7 HA GLU 7 -2.586 -1.935 -5.119
40 HB2 GLU 7 2HB GLU 7 -2.389 -3.902 -3.568
41 HB3 GLU 7 1HB GLU 7 -0.947 -3.562 -4.507
42 HG2 GLU 7 2HG GLU 7 -1.265 -2.531 -1.713
43 HG3 GLU 7 1HG GLU 7 -0.684 -4.166 -2.034
44 H THR 8 H THR 8 -4.653 -2.248 -4.367
45 HA THR 8 HA THR 8 -5.474 -0.438 -2.312
46 HB THR 8 HB THR 8 -7.752 -1.564 -2.815
47 HG1 THR 8 1HG THR 8 -7.385 -2.256 -5.244
48 HG21 THR 8 3HG2 THR 8 -7.999 0.382 -3.869
49 HG22 THR 8 1HG2 THR 8 -7.242 -0.317 -5.300
50 HG23 THR 8 2HG2 THR 8 -6.253 0.504 -4.093
51 H CYS 9 H CYS 9 -5.689 -0.869 -0.263
52 HA CYS 9 HA CYS 9 -5.426 -3.603 0.704
53 HB2 CYS 9 2HB CYS 9 -4.112 -1.690 1.678
54 HB3 CYS 9 1HB CYS 9 -5.633 -1.063 2.303
55 H VAL 10 H VAL 10 -7.808 -3.050 -0.632
56 HA VAL 10 HA VAL 10 -9.916 -2.290 1.042
57 HB VAL 10 HB VAL 10 -10.060 -4.190 -1.302
58 HG11 VAL 10 1HG1 VAL 10 -12.257 -2.379 -0.363
59 HG12 VAL 10 2HG1 VAL 10 -12.042 -3.988 0.328
60 HG13 VAL 10 3HG1 VAL 10 -12.357 -3.804 -1.398
61 HG21 VAL 10 3HG2 VAL 10 -10.923 -1.472 -1.800
62 HG22 VAL 10 1HG2 VAL 10 -9.780 -2.475 -2.695
63 HG23 VAL 10 2HG2 VAL 10 -9.233 -1.540 -1.302
64 H GLY 11 H GLY 11 -8.451 -5.410 0.409
65 HA2 GLY 11 2HA GLY 11 -10.284 -6.727 2.262
66 HA3 GLY 11 1HA GLY 11 -9.089 -7.519 1.248
67 H GLY 12 H GLY 12 -8.122 -4.762 3.107
68 HA2 GLY 12 2HA GLY 12 -6.669 -4.519 4.863
69 HA3 GLY 12 1HA GLY 12 -7.452 -5.935 5.544
70 H THR 13 H THR 13 -5.389 -5.544 2.661
71 HA THR 13 HA THR 13 -3.279 -7.049 3.940
72 HB THR 13 HB THR 13 -4.775 -8.794 3.061
73 HG1 THR 13 1HG THR 13 -2.989 -9.853 2.738
74 HG21 THR 13 3HG2 THR 13 -4.306 -7.373 0.458
75 HG22 THR 13 1HG2 THR 13 -5.837 -7.854 1.190
76 HG23 THR 13 2HG2 THR 13 -4.759 -9.076 0.516
77 H CYS 14 H CYS 14 -1.328 -7.081 2.726
78 HA CYS 14 HA CYS 14 -1.158 -5.267 0.434
79 HB2 CYS 14 2HB CYS 14 0.580 -5.038 2.908
80 HB3 CYS 14 1HB CYS 14 0.803 -4.127 1.419
81 H ASN 15 H ASN 15 0.095 -6.126 -1.114
82 HA ASN 15 HA ASN 15 1.458 -8.607 -0.578
83 HB2 ASN 15 2HB ASN 15 2.030 -8.438 -3.074
84 HB3 ASN 15 1HB ASN 15 0.336 -8.622 -2.635
85 HD21 ASN 15 1HD2 ASN 15 2.627 -6.724 -4.260
86 HD22 ASN 15 2HD2 ASN 15 1.590 -5.405 -4.676
87 H THR 16 H THR 16 2.453 -5.312 -1.477
88 HA THR 16 HA THR 16 5.205 -6.039 -1.728
89 HB THR 16 HB THR 16 4.101 -3.253 -1.371
90 HG1 THR 16 1HG THR 16 3.088 -3.754 -3.192
91 HG21 THR 16 3HG2 THR 16 6.115 -2.478 -2.148
92 HG22 THR 16 1HG2 THR 16 6.438 -3.938 -3.083
93 HG23 THR 16 2HG2 THR 16 6.669 -3.942 -1.334
94 HA PRO 17 HA PRO 17 5.894 -6.123 2.708
95 HB2 PRO 17 2HB PRO 17 8.550 -6.796 2.472
96 HB3 PRO 17 1HB PRO 17 7.229 -7.969 2.444
97 HG2 PRO 17 2HG PRO 17 8.741 -6.761 0.167
98 HG3 PRO 17 1HG PRO 17 8.183 -8.430 0.384
99 HD2 PRO 17 2HD PRO 17 6.889 -6.683 -1.210
100 HD3 PRO 17 1HD PRO 17 6.028 -7.930 -0.282
101 H GLY 18 H GLY 18 6.373 -4.489 3.943
102 HA2 GLY 18 2HA GLY 18 7.984 -2.816 4.663
103 HA3 GLY 18 1HA GLY 18 8.321 -2.512 2.960
104 H CYS 19 H CYS 19 5.451 -2.739 2.238
105 HA CYS 19 HA CYS 19 4.782 0.004 3.001
106 HB2 CYS 19 2HB CYS 19 3.878 -1.828 0.824
107 HB3 CYS 19 1HB CYS 19 2.815 -0.513 1.320
108 H THR 20 H THR 20 3.178 0.589 4.303
109 HA THR 20 HA THR 20 1.810 -1.540 5.757
110 HB THR 20 HB THR 20 1.761 1.402 6.413
111 HG1 THR 20 1HG THR 20 3.792 -0.508 6.739
112 HG21 THR 20 3HG2 THR 20 1.785 -0.761 8.451
113 HG22 THR 20 1HG2 THR 20 0.306 -0.541 7.515
114 HG23 THR 20 2HG2 THR 20 0.956 0.796 8.465
115 H CYS 21 H CYS 21 -0.421 -1.555 6.069
116 HA CYS 21 HA CYS 21 -1.958 -0.740 3.831
117 HB2 CYS 21 2HB CYS 21 -2.528 -2.769 5.027
118 HB3 CYS 21 1HB CYS 21 -2.786 -1.862 6.515
119 H SER 22 H SER 22 -2.989 1.086 3.479
120 HA SER 22 HA SER 22 -3.776 2.787 5.729
121 HB2 SER 22 2HB SER 22 -2.441 3.786 3.191
122 HB3 SER 22 1HB SER 22 -3.008 4.782 4.533
123 HG SER 22 HG SER 22 -1.405 2.912 5.518
124 H TRP 23 H TRP 23 -5.611 1.412 5.121
125 HA TRP 23 HA TRP 23 -7.079 1.023 3.028
126 HB2 TRP 23 2HB TRP 23 -7.684 0.865 5.573
127 HB3 TRP 23 1HB TRP 23 -8.577 2.347 5.243
128 HD1 TRP 23 HD TRP 23 -8.453 -1.346 4.134
129 HE1 TRP 23 1HE TRP 23 -10.775 -2.005 3.242
130 HE3 TRP 23 3HE TRP 23 -10.722 3.229 4.339
131 HZ2 TRP 23 2HZ TRP 23 -13.242 -0.746 2.692
132 HZ3 TRP 23 3HZ TRP 23 -13.065 3.417 3.609
133 HH2 TRP 23 HH TRP 23 -14.297 1.471 2.801
134 HA PRO 24 HA PRO 24 -8.211 0.830 1.744
135 HB2 PRO 24 2HB PRO 24 -9.202 1.191 -0.697
136 HB3 PRO 24 1HB PRO 24 -10.175 1.514 0.743
137 HG2 PRO 24 2HG PRO 24 -8.915 3.415 -1.148
138 HG3 PRO 24 1HG PRO 24 -10.362 3.615 -0.147
139 HD2 PRO 24 2HD PRO 24 -7.694 4.523 0.399
140 HD3 PRO 24 1HD PRO 24 -9.136 4.697 1.419
141 H VAL 25 H VAL 25 -5.592 2.392 1.401
142 HA VAL 25 HA VAL 25 -4.597 0.743 -0.819
143 HB VAL 25 HB VAL 25 -3.178 2.678 -1.628
144 HG11 VAL 25 1HG1 VAL 25 -5.536 1.785 -2.511
145 HG12 VAL 25 2HG1 VAL 25 -4.665 3.113 -3.277
146 HG13 VAL 25 3HG1 VAL 25 -5.980 3.454 -2.154
147 HG21 VAL 25 3HG2 VAL 25 -3.921 4.929 -1.178
148 HG22 VAL 25 1HG2 VAL 25 -3.538 4.123 0.343
149 HG23 VAL 25 2HG2 VAL 25 -5.219 4.330 -0.146
150 H CYS 26 H CYS 26 -2.510 0.043 -0.641
151 HA CYS 26 HA CYS 26 -1.268 0.355 1.961
152 HB2 CYS 26 2HB CYS 26 -0.373 -1.229 -0.459
153 HB3 CYS 26 1HB CYS 26 0.320 -1.337 1.158
154 H THR 27 H THR 27 0.487 1.618 2.424
155 HA THR 27 HA THR 27 2.172 2.578 0.275
156 HB THR 27 HB THR 27 0.322 4.212 0.287
157 HG1 THR 27 1HG THR 27 1.678 5.933 0.146
158 HG21 THR 27 3HG2 THR 27 -0.154 5.617 2.123
159 HG22 THR 27 1HG2 THR 27 1.271 5.075 3.007
160 HG23 THR 27 2HG2 THR 27 -0.097 3.984 2.787
161 H ARG 28 H ARG 28 3.969 3.919 1.084
162 HA ARG 28 HA ARG 28 4.722 4.246 3.728
163 HB2 ARG 28 2HB ARG 28 4.667 1.587 3.359
164 HB3 ARG 28 1HB ARG 28 6.292 1.918 2.774
165 HG2 ARG 28 2HG ARG 28 6.273 1.307 5.144
166 HG3 ARG 28 1HG ARG 28 6.877 2.946 4.896
167 HD2 ARG 28 2HD ARG 28 4.707 3.856 5.517
168 HD3 ARG 28 1HD ARG 28 4.064 2.227 5.710
169 HE ARG 28 HE ARG 28 6.307 2.499 7.364
170 HH11 ARG 28 1HH1 ARG 28 3.049 3.723 7.076
171 HH12 ARG 28 2HH1 ARG 28 2.848 3.978 8.778
172 HH21 ARG 28 1HH2 ARG 28 6.059 2.831 9.622
173 HH22 ARG 28 2HH2 ARG 28 4.569 3.469 10.230
174 H ASN 29 H ASN 29 7.481 3.356 3.285
175 HA ASN 29 HA ASN 29 8.433 5.696 1.961
176 HB2 ASN 29 2HB ASN 29 9.948 3.263 2.936
177 HB3 ASN 29 1HB ASN 29 10.692 4.758 2.381
178 HD21 ASN 29 1HD2 ASN 29 10.184 3.138 5.045
179 HD22 ASN 29 2HD2 ASN 29 9.904 4.415 6.173
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -3.076 2.053 -6.097
2 HA2 GLY 1 2HA GLY 1 -3.009 2.482 -3.247
3 HA3 GLY 1 1HA GLY 1 -2.250 1.163 -4.129
4 H LEU 2 H LEU 2 -1.871 4.642 -4.535
5 HA LEU 2 HA LEU 2 -0.108 6.063 -4.332
6 HB2 LEU 2 2HB LEU 2 0.103 5.136 -2.048
7 HB3 LEU 2 1HB LEU 2 1.141 3.869 -2.669
8 HG LEU 2 HG LEU 2 2.705 5.742 -3.434
9 HD11 LEU 2 1HD1 LEU 2 1.970 7.564 -1.380
10 HD12 LEU 2 2HD1 LEU 2 0.578 7.313 -2.432
11 HD13 LEU 2 3HD1 LEU 2 2.113 7.851 -3.114
12 HD21 LEU 2 3HD2 LEU 2 2.694 5.928 -0.523
13 HD22 LEU 2 1HD2 LEU 2 3.916 5.278 -1.616
14 HD23 LEU 2 2HD2 LEU 2 2.551 4.277 -1.125
15 HA PRO 3 HA PRO 3 2.309 4.635 -7.798
16 HB2 PRO 3 2HB PRO 3 3.802 6.867 -8.169
17 HB3 PRO 3 1HB PRO 3 2.096 6.773 -8.624
18 HG2 PRO 3 2HG PRO 3 3.340 7.969 -6.177
19 HG3 PRO 3 1HG PRO 3 2.043 8.613 -7.200
20 HD2 PRO 3 2HD PRO 3 1.564 7.373 -4.839
21 HD3 PRO 3 1HD PRO 3 0.435 7.297 -6.206
22 H VAL 4 H VAL 4 3.142 3.678 -5.329
23 HA VAL 4 HA VAL 4 6.017 3.482 -5.729
24 HB VAL 4 HB VAL 4 4.825 4.162 -3.026
25 HG11 VAL 4 1HG1 VAL 4 7.239 4.199 -2.310
26 HG12 VAL 4 2HG1 VAL 4 7.622 3.406 -3.838
27 HG13 VAL 4 3HG1 VAL 4 6.572 2.606 -2.666
28 HG21 VAL 4 3HG2 VAL 4 5.388 6.296 -3.329
29 HG22 VAL 4 1HG2 VAL 4 5.609 5.908 -5.035
30 HG23 VAL 4 2HG2 VAL 4 6.986 5.861 -3.935
31 H CYS 5 H CYS 5 3.231 2.540 -3.814
32 HA CYS 5 HA CYS 5 4.275 -0.142 -3.431
33 HB2 CYS 5 2HB CYS 5 1.758 1.183 -2.419
34 HB3 CYS 5 1HB CYS 5 2.257 -0.453 -2.018
35 H GLY 6 H GLY 6 1.417 1.421 -4.751
36 HA2 GLY 6 2HA GLY 6 0.263 0.871 -6.705
37 HA3 GLY 6 1HA GLY 6 1.209 -0.605 -6.821
38 H GLU 7 H GLU 7 0.733 -1.790 -4.413
39 HA GLU 7 HA GLU 7 -1.745 -3.023 -4.831
40 HB2 GLU 7 2HB GLU 7 0.158 -3.063 -2.512
41 HB3 GLU 7 1HB GLU 7 -1.331 -3.994 -2.514
42 HG2 GLU 7 2HG GLU 7 0.805 -4.227 -4.615
43 HG3 GLU 7 1HG GLU 7 0.678 -5.275 -3.203
44 H THR 8 H THR 8 -3.635 -2.997 -3.770
45 HA THR 8 HA THR 8 -4.184 -0.617 -2.149
46 HB THR 8 HB THR 8 -6.601 -1.166 -2.841
47 HG1 THR 8 1HG THR 8 -5.189 -2.540 -4.900
48 HG21 THR 8 3HG2 THR 8 -5.541 0.817 -3.650
49 HG22 THR 8 1HG2 THR 8 -6.309 0.028 -5.029
50 HG23 THR 8 2HG2 THR 8 -4.566 -0.107 -4.792
51 H CYS 9 H CYS 9 -4.780 -0.944 -0.098
52 HA CYS 9 HA CYS 9 -4.990 -3.647 0.890
53 HB2 CYS 9 2HB CYS 9 -3.761 -1.762 2.055
54 HB3 CYS 9 1HB CYS 9 -5.348 -1.120 2.467
55 H VAL 10 H VAL 10 -7.083 -3.026 -0.828
56 HA VAL 10 HA VAL 10 -9.399 -2.132 0.501
57 HB VAL 10 HB VAL 10 -9.262 -4.010 -1.866
58 HG11 VAL 10 1HG1 VAL 10 -11.462 -3.720 -0.564
59 HG12 VAL 10 2HG1 VAL 10 -11.492 -3.508 -2.316
60 HG13 VAL 10 3HG1 VAL 10 -11.488 -2.097 -1.257
61 HG21 VAL 10 3HG2 VAL 10 -9.232 -2.153 -3.298
62 HG22 VAL 10 1HG2 VAL 10 -8.039 -1.775 -2.055
63 HG23 VAL 10 2HG2 VAL 10 -9.639 -1.034 -1.997
64 H GLY 11 H GLY 11 -8.028 -5.319 -0.006
65 HA2 GLY 11 2HA GLY 11 -10.143 -6.536 1.614
66 HA3 GLY 11 1HA GLY 11 -8.951 -7.401 0.659
67 H GLY 12 H GLY 12 -8.052 -4.789 2.792
68 HA2 GLY 12 2HA GLY 12 -6.773 -4.724 4.691
69 HA3 GLY 12 1HA GLY 12 -7.571 -6.222 5.146
70 H THR 13 H THR 13 -5.393 -5.593 2.411
71 HA THR 13 HA THR 13 -3.265 -7.065 3.692
72 HB THR 13 HB THR 13 -4.696 -8.827 2.696
73 HG1 THR 13 1HG THR 13 -2.836 -9.790 2.523
74 HG21 THR 13 3HG2 THR 13 -3.903 -7.649 0.036
75 HG22 THR 13 1HG2 THR 13 -5.501 -7.481 0.761
76 HG23 THR 13 2HG2 THR 13 -4.899 -9.076 0.311
77 H CYS 14 H CYS 14 -1.292 -7.061 2.412
78 HA CYS 14 HA CYS 14 -1.159 -5.161 0.207
79 HB2 CYS 14 2HB CYS 14 0.328 -4.810 2.818
80 HB3 CYS 14 1HB CYS 14 0.807 -4.010 1.327
81 H ASN 15 H ASN 15 0.117 -5.979 -1.317
82 HA ASN 15 HA ASN 15 1.699 -8.327 -0.776
83 HB2 ASN 15 2HB ASN 15 0.331 -8.005 -2.859
84 HB3 ASN 15 1HB ASN 15 1.469 -6.762 -3.356
85 HD21 ASN 15 1HD2 ASN 15 0.633 -9.798 -3.917
86 HD22 ASN 15 2HD2 ASN 15 2.152 -10.478 -4.374
87 H THR 16 H THR 16 2.329 -5.010 -1.874
88 HA THR 16 HA THR 16 5.076 -5.189 -2.235
89 HB THR 16 HB THR 16 3.948 -2.658 -1.146
90 HG1 THR 16 1HG THR 16 3.341 -2.975 -3.788
91 HG21 THR 16 3HG2 THR 16 6.261 -2.880 -2.085
92 HG22 THR 16 1HG2 THR 16 5.267 -1.668 -2.893
93 HG23 THR 16 2HG2 THR 16 5.532 -3.238 -3.651
94 HA PRO 17 HA PRO 17 6.282 -5.894 2.043
95 HB2 PRO 17 2HB PRO 17 8.982 -5.749 0.852
96 HB3 PRO 17 1HB PRO 17 8.239 -7.046 1.794
97 HG2 PRO 17 2HG PRO 17 8.647 -7.289 -0.844
98 HG3 PRO 17 1HG PRO 17 7.217 -7.982 -0.055
99 HD2 PRO 17 2HD PRO 17 7.463 -5.476 -1.675
100 HD3 PRO 17 1HD PRO 17 6.163 -6.687 -1.662
101 H GLY 18 H GLY 18 6.579 -4.402 3.538
102 HA2 GLY 18 2HA GLY 18 7.751 -2.599 4.539
103 HA3 GLY 18 1HA GLY 18 8.260 -2.080 2.936
104 H CYS 19 H CYS 19 5.266 -2.683 2.195
105 HA CYS 19 HA CYS 19 4.450 0.061 2.737
106 HB2 CYS 19 2HB CYS 19 3.230 -2.084 0.994
107 HB3 CYS 19 1HB CYS 19 2.561 -0.465 1.180
108 H THR 20 H THR 20 3.071 0.645 4.226
109 HA THR 20 HA THR 20 1.796 -1.353 5.887
110 HB THR 20 HB THR 20 1.073 0.984 7.002
111 HG1 THR 20 1HG THR 20 3.552 1.895 6.439
112 HG21 THR 20 3HG2 THR 20 3.727 -0.428 7.240
113 HG22 THR 20 1HG2 THR 20 2.278 -0.691 8.212
114 HG23 THR 20 2HG2 THR 20 3.179 0.817 8.362
115 H CYS 21 H CYS 21 -0.434 -1.398 6.289
116 HA CYS 21 HA CYS 21 -2.041 -0.795 4.014
117 HB2 CYS 21 2HB CYS 21 -2.470 -2.816 5.253
118 HB3 CYS 21 1HB CYS 21 -2.743 -1.903 6.734
119 H SER 22 H SER 22 -3.269 0.893 3.613
120 HA SER 22 HA SER 22 -4.255 2.565 5.794
121 HB2 SER 22 2HB SER 22 -2.793 3.639 3.359
122 HB3 SER 22 1HB SER 22 -3.629 4.623 4.562
123 HG SER 22 HG SER 22 -1.983 3.006 5.858
124 H TRP 23 H TRP 23 -5.959 1.076 5.104
125 HA TRP 23 HA TRP 23 -7.250 0.605 2.886
126 HB2 TRP 23 2HB TRP 23 -7.989 0.202 5.321
127 HB3 TRP 23 1HB TRP 23 -8.890 1.702 5.146
128 HD1 TRP 23 HD TRP 23 -8.784 -1.890 3.804
129 HE1 TRP 23 1HE TRP 23 -11.055 -2.440 2.729
130 HE3 TRP 23 3HE TRP 23 -10.933 2.737 4.064
131 HZ2 TRP 23 2HZ TRP 23 -13.448 -1.084 2.080
132 HZ3 TRP 23 3HZ TRP 23 -13.217 3.028 3.195
133 HH2 TRP 23 HH TRP 23 -14.446 1.156 2.221
134 HA PRO 24 HA PRO 24 -8.295 0.367 1.539
135 HB2 PRO 24 2HB PRO 24 -9.265 0.745 -0.914
136 HB3 PRO 24 1HB PRO 24 -10.296 0.906 0.513
137 HG2 PRO 24 2HG PRO 24 -9.213 3.000 -1.272
138 HG3 PRO 24 1HG PRO 24 -10.664 3.026 -0.258
139 HD2 PRO 24 2HD PRO 24 -8.058 4.115 0.323
140 HD3 PRO 24 1HD PRO 24 -9.524 4.178 1.323
141 H VAL 25 H VAL 25 -5.846 2.181 1.349
142 HA VAL 25 HA VAL 25 -4.673 0.830 -0.993
143 HB VAL 25 HB VAL 25 -3.409 2.889 -1.593
144 HG11 VAL 25 1HG1 VAL 25 -6.223 2.379 -2.023
145 HG12 VAL 25 2HG1 VAL 25 -4.985 2.911 -3.161
146 HG13 VAL 25 3HG1 VAL 25 -5.838 4.094 -2.170
147 HG21 VAL 25 3HG2 VAL 25 -5.374 4.575 -0.143
148 HG22 VAL 25 1HG2 VAL 25 -3.708 4.919 -0.606
149 HG23 VAL 25 2HG2 VAL 25 -4.041 3.886 0.783
150 H CYS 26 H CYS 26 -2.486 0.350 -0.892
151 HA CYS 26 HA CYS 26 -1.355 0.358 1.784
152 HB2 CYS 26 2HB CYS 26 -0.239 -0.770 -0.794
153 HB3 CYS 26 1HB CYS 26 0.385 -1.069 0.827
154 H THR 27 H THR 27 0.413 1.579 2.435
155 HA THR 27 HA THR 27 1.653 3.284 0.390
156 HB THR 27 HB THR 27 0.024 4.691 1.521
157 HG1 THR 27 1HG THR 27 1.501 6.317 2.201
158 HG21 THR 27 3HG2 THR 27 -0.301 4.812 3.752
159 HG22 THR 27 1HG2 THR 27 1.423 4.691 4.106
160 HG23 THR 27 2HG2 THR 27 0.491 3.236 3.756
161 H ARG 28 H ARG 28 3.757 3.965 0.864
162 HA ARG 28 HA ARG 28 5.208 2.042 2.469
163 HB2 ARG 28 2HB ARG 28 5.894 2.871 0.144
164 HB3 ARG 28 1HB ARG 28 6.419 4.344 0.949
165 HG2 ARG 28 2HG ARG 28 7.939 3.006 2.352
166 HG3 ARG 28 1HG ARG 28 7.445 1.560 1.470
167 HD2 ARG 28 2HD ARG 28 9.525 2.368 0.567
168 HD3 ARG 28 1HD ARG 28 8.244 2.608 -0.620
169 HE ARG 28 HE ARG 28 8.536 4.936 0.941
170 HH11 ARG 28 1HH1 ARG 28 10.160 3.129 -1.570
171 HH12 ARG 28 2HH1 ARG 28 10.982 4.509 -2.221
172 HH21 ARG 28 1HH2 ARG 28 9.620 6.775 0.094
173 HH22 ARG 28 2HH2 ARG 28 10.675 6.592 -1.268
174 H ASN 29 H ASN 29 3.742 3.396 4.206
175 HA ASN 29 HA ASN 29 5.262 5.638 5.273
176 HB2 ASN 29 2HB ASN 29 2.742 5.605 5.249
177 HB3 ASN 29 1HB ASN 29 2.809 4.317 6.448
178 HD21 ASN 29 1HD2 ASN 29 5.297 6.647 6.699
179 HD22 ASN 29 2HD2 ASN 29 4.633 7.539 8.018
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