Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
574280 | 2mg9 RC | 19593 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -13.762 0.821 -1.886
2 H2 GLY 1 2HT GLY 1 -12.982 1.823 -2.995
3 H3 GLY 1 3HT GLY 1 -13.841 2.500 -1.731
4 HA2 GLY 1 1HA GLY 1 -12.306 1.597 -0.139
5 HA3 GLY 1 2HA GLY 1 -11.387 0.892 -1.465
6 H THR 2 H THR 2 -9.543 2.089 -0.906
7 HA THR 2 HA THR 2 -9.345 4.588 -2.156
8 HB THR 2 HB THR 2 -10.266 5.452 -0.074
9 HG1 THR 2 1HG THR 2 -7.660 6.054 0.519
10 HG21 THR 2 3HG2 THR 2 -9.811 3.584 1.424
11 HG22 THR 2 1HG2 THR 2 -9.177 5.077 2.116
12 HG23 THR 2 2HG2 THR 2 -8.081 3.920 1.356
13 H ASN 3 H ASN 3 -7.190 4.997 -2.658
14 HA ASN 3 HA ASN 3 -5.473 2.660 -2.294
15 HB2 ASN 3 2HB ASN 3 -5.979 3.615 -4.598
16 HB3 ASN 3 1HB ASN 3 -5.110 5.043 -4.112
17 HD21 ASN 3 1HD2 ASN 3 -4.588 3.129 -6.278
18 HD22 ASN 3 2HD2 ASN 3 -2.979 2.577 -6.029
19 H GLU 4 H GLU 4 -4.195 2.744 -0.545
20 HA GLU 4 HA GLU 4 -3.294 5.155 0.685
21 HB2 GLU 4 2HB GLU 4 -2.474 2.279 1.088
22 HB3 GLU 4 1HB GLU 4 -1.795 3.603 2.007
23 HG2 GLU 4 2HG GLU 4 -3.479 2.449 3.284
24 HG3 GLU 4 1HG GLU 4 -4.007 4.085 2.930
25 H CYS 5 H CYS 5 -2.004 3.021 -1.720
26 HA CYS 5 HA CYS 5 0.751 3.491 -1.419
27 HB2 CYS 5 2HB CYS 5 -0.776 2.811 -3.909
28 HB3 CYS 5 1HB CYS 5 0.936 2.546 -3.628
29 H LEU 6 H LEU 6 -1.737 5.176 -2.966
30 HA LEU 6 HA LEU 6 -0.350 6.975 -4.621
31 HB2 LEU 6 2HB LEU 6 -2.911 7.214 -3.105
32 HB3 LEU 6 1HB LEU 6 -2.355 8.481 -4.191
33 HG LEU 6 HG LEU 6 -3.157 5.648 -4.848
34 HD11 LEU 6 1HD1 LEU 6 -4.407 8.296 -5.554
35 HD12 LEU 6 2HD1 LEU 6 -4.995 7.192 -4.319
36 HD13 LEU 6 3HD1 LEU 6 -5.006 6.702 -6.015
37 HD21 LEU 6 3HD2 LEU 6 -2.880 6.310 -7.184
38 HD22 LEU 6 1HD2 LEU 6 -1.353 6.335 -6.308
39 HD23 LEU 6 2HD2 LEU 6 -2.191 7.846 -6.661
40 H ASP 7 H ASP 7 -0.961 7.026 -1.178
41 HA ASP 7 HA ASP 7 0.349 9.651 -0.978
42 HB2 ASP 7 2HB ASP 7 -1.923 9.566 -0.036
43 HB3 ASP 7 1HB ASP 7 -1.428 8.249 1.021
44 H ASN 8 H ASN 8 2.457 9.345 -0.710
45 HA ASN 8 HA ASN 8 4.444 8.862 0.243
46 HB2 ASN 8 2HB ASN 8 2.730 8.120 2.604
47 HB3 ASN 8 1HB ASN 8 4.489 8.066 2.598
48 HD21 ASN 8 1HD2 ASN 8 1.656 10.138 2.598
49 HD22 ASN 8 2HD2 ASN 8 2.522 11.582 2.941
50 H ASN 9 H ASN 9 3.025 6.921 -1.226
51 HA ASN 9 HA ASN 9 3.124 4.750 -1.958
52 HB2 ASN 9 2HB ASN 9 5.585 5.325 -1.985
53 HB3 ASN 9 1HB ASN 9 5.720 4.640 -0.373
54 HD21 ASN 9 1HD2 ASN 9 7.142 3.069 -0.943
55 HD22 ASN 9 2HD2 ASN 9 6.747 1.713 -1.918
56 H GLY 10 H GLY 10 1.711 5.340 0.472
57 HA2 GLY 10 2HA GLY 10 0.419 4.140 1.936
58 HA3 GLY 10 1HA GLY 10 1.189 2.675 1.351
59 H GLY 11 H GLY 11 3.633 4.676 2.236
60 HA2 GLY 11 2HA GLY 11 4.814 4.948 4.247
61 HA3 GLY 11 1HA GLY 11 3.624 3.929 5.053
62 H CYS 12 H CYS 12 4.442 2.530 2.170
63 HA CYS 12 HA CYS 12 5.813 0.390 3.467
64 HB2 CYS 12 2HB CYS 12 5.201 0.853 0.545
65 HB3 CYS 12 1HB CYS 12 5.722 -0.665 1.262
66 H SER 13 H SER 13 7.923 -0.160 3.261
67 HA SER 13 HA SER 13 9.739 1.863 2.367
68 HB2 SER 13 2HB SER 13 10.258 -0.864 3.576
69 HB3 SER 13 1HB SER 13 11.477 0.386 3.304
70 HG SER 13 HG SER 13 9.232 0.494 5.041
71 H HIS 14 H HIS 14 8.199 -0.725 0.976
72 HA HIS 14 HA HIS 14 9.940 -0.518 -1.335
73 HB2 HIS 14 2HB HIS 14 8.952 -3.134 -0.166
74 HB3 HIS 14 1HB HIS 14 9.492 -2.995 -1.829
75 HD1 HIS 14 1HD HIS 14 12.058 -2.350 -2.164
76 HD2 HIS 14 2HD HIS 14 10.970 -3.375 1.703
77 HE1 HIS 14 1HE HIS 14 14.205 -2.790 -0.960
78 HE2 HIS 14 2HE HIS 14 13.477 -2.918 1.424
79 H VAL 15 H VAL 15 8.399 -2.171 -3.059
80 HA VAL 15 HA VAL 15 6.536 -0.293 -3.917
81 HB VAL 15 HB VAL 15 6.470 -3.262 -4.515
82 HG11 VAL 15 1HG1 VAL 15 5.392 -0.916 -6.080
83 HG12 VAL 15 2HG1 VAL 15 4.439 -2.118 -5.214
84 HG13 VAL 15 3HG1 VAL 15 5.392 -2.593 -6.620
85 HG21 VAL 15 3HG2 VAL 15 7.851 -2.734 -6.475
86 HG22 VAL 15 1HG2 VAL 15 8.686 -2.320 -4.978
87 HG23 VAL 15 2HG2 VAL 15 7.948 -1.052 -5.954
88 H CYS 16 H CYS 16 4.543 0.204 -3.315
89 HA CYS 16 HA CYS 16 3.175 -1.365 -1.315
90 HB2 CYS 16 2HB CYS 16 3.220 1.107 -1.158
91 HB3 CYS 16 1HB CYS 16 2.421 1.201 -2.720
92 H ASN 17 H ASN 17 1.141 -2.265 -1.630
93 HA ASN 17 HA ASN 17 0.160 -2.556 -4.379
94 HB2 ASN 17 2HB ASN 17 1.372 -4.606 -3.798
95 HB3 ASN 17 1HB ASN 17 0.484 -4.737 -2.287
96 HD21 ASN 17 1HD2 ASN 17 -0.302 -6.798 -2.805
97 HD22 ASN 17 2HD2 ASN 17 -1.483 -7.055 -4.019
98 H ASP 18 H ASP 18 -1.747 -1.548 -4.298
99 HA ASP 18 HA ASP 18 -3.125 -1.252 -1.811
100 HB2 ASP 18 2HB ASP 18 -3.246 0.608 -3.339
101 HB3 ASP 18 1HB ASP 18 -3.933 -0.414 -4.596
102 H LEU 19 H LEU 19 -4.517 -2.482 -0.971
103 HA LEU 19 HA LEU 19 -5.716 -4.613 -2.559
104 HB2 LEU 19 2HB LEU 19 -5.726 -4.253 0.435
105 HB3 LEU 19 1HB LEU 19 -6.279 -5.643 -0.451
106 HG LEU 19 HG LEU 19 -3.416 -4.745 -0.221
107 HD11 LEU 19 1HD1 LEU 19 -4.241 -5.675 1.828
108 HD12 LEU 19 2HD1 LEU 19 -3.191 -6.865 1.043
109 HD13 LEU 19 3HD1 LEU 19 -4.941 -7.036 0.963
110 HD21 LEU 19 3HD2 LEU 19 -4.589 -7.173 -1.582
111 HD22 LEU 19 1HD2 LEU 19 -2.874 -6.827 -1.366
112 HD23 LEU 19 2HD2 LEU 19 -3.858 -5.788 -2.395
113 H LYS 20 H LYS 20 -8.051 -5.079 -1.893
114 HA LYS 20 HA LYS 20 -9.528 -2.691 -2.291
115 HB2 LYS 20 2HB LYS 20 -10.679 -5.309 -1.299
116 HB3 LYS 20 1HB LYS 20 -11.536 -4.026 -2.134
117 HG2 LYS 20 2HG LYS 20 -9.575 -6.010 -3.255
118 HG3 LYS 20 1HG LYS 20 -11.255 -5.757 -3.703
119 HD2 LYS 20 2HD LYS 20 -8.971 -3.853 -4.205
120 HD3 LYS 20 1HD LYS 20 -9.716 -4.891 -5.409
121 HE2 LYS 20 2HE LYS 20 -11.837 -3.679 -5.116
122 HE3 LYS 20 1HE LYS 20 -11.064 -2.641 -3.923
123 HZ1 LYS 20 3HZ LYS 20 -11.144 -1.606 -6.093
124 HZ2 LYS 20 1HZ LYS 20 -10.259 -2.870 -6.767
125 HZ3 LYS 20 2HZ LYS 20 -9.547 -1.858 -5.624
126 H ILE 21 H ILE 21 -9.035 -4.792 0.453
127 HA ILE 21 HA ILE 21 -9.975 -2.628 2.159
128 HB ILE 21 HB ILE 21 -11.339 -4.529 2.548
129 HG12 ILE 21 2HG1 ILE 21 -10.826 -5.155 4.932
130 HG13 ILE 21 1HG1 ILE 21 -9.293 -4.313 4.756
131 HG21 ILE 21 1HG2 ILE 21 -8.869 -6.207 2.804
132 HG22 ILE 21 2HG2 ILE 21 -10.112 -6.289 1.554
133 HG23 ILE 21 3HG2 ILE 21 -10.496 -6.752 3.211
134 HD11 ILE 21 3HD1 ILE 21 -12.020 -3.065 4.478
135 HD12 ILE 21 1HD1 ILE 21 -10.475 -2.226 4.340
136 HD13 ILE 21 2HD1 ILE 21 -10.959 -2.937 5.880
137 H GLY 22 H GLY 22 -8.384 -1.486 2.868
138 HA2 GLY 22 2HA GLY 22 -6.426 -0.991 4.013
139 HA3 GLY 22 1HA GLY 22 -6.102 -2.721 4.126
140 H TYR 23 H TYR 23 -3.981 -2.632 3.430
141 HA TYR 23 HA TYR 23 -3.619 -2.570 0.618
142 HB2 TYR 23 2HB TYR 23 -1.939 -0.833 0.493
143 HB3 TYR 23 1HB TYR 23 -3.371 -0.128 1.221
144 HD1 TYR 23 1HD TYR 23 -3.373 0.221 3.763
145 HD2 TYR 23 2HD TYR 23 0.124 -0.781 1.566
146 HE1 TYR 23 1HE TYR 23 -1.973 1.046 5.611
147 HE2 TYR 23 2HE TYR 23 1.519 0.028 3.401
148 HH TYR 23 HH TYR 23 1.358 1.562 5.203
149 H GLU 24 H GLU 24 -1.111 -2.934 0.264
150 HA GLU 24 HA GLU 24 -0.057 -4.630 2.377
151 HB2 GLU 24 2HB GLU 24 -1.351 -6.056 0.960
152 HB3 GLU 24 1HB GLU 24 -0.656 -5.352 -0.483
153 HG2 GLU 24 2HG GLU 24 1.458 -6.374 0.007
154 HG3 GLU 24 1HG GLU 24 0.852 -7.003 1.535
155 H CYS 25 H CYS 25 2.198 -4.744 2.295
156 HA CYS 25 HA CYS 25 3.484 -2.968 0.348
157 HB2 CYS 25 2HB CYS 25 4.463 -3.847 3.069
158 HB3 CYS 25 1HB CYS 25 5.286 -2.737 1.982
159 H LEU 26 H LEU 26 4.847 -3.908 -1.056
160 HA LEU 26 HA LEU 26 5.620 -6.696 -0.551
161 HB2 LEU 26 2HB LEU 26 5.190 -5.262 -3.180
162 HB3 LEU 26 1HB LEU 26 5.729 -6.921 -3.022
163 HG LEU 26 HG LEU 26 3.048 -5.832 -2.196
164 HD11 LEU 26 1HD1 LEU 26 2.193 -7.187 -4.057
165 HD12 LEU 26 2HD1 LEU 26 3.845 -7.629 -4.487
166 HD13 LEU 26 3HD1 LEU 26 3.319 -5.950 -4.616
167 HD21 LEU 26 3HD2 LEU 26 2.440 -8.184 -1.828
168 HD22 LEU 26 1HD2 LEU 26 3.737 -7.667 -0.753
169 HD23 LEU 26 2HD2 LEU 26 4.105 -8.660 -2.162
170 HN1 NH2 27 1H LEU 26 6.946 -4.952 -3.198
171 HN2 NH2 27 2H LEU 26 8.517 -4.696 -2.540
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -11.917 5.407 -4.926
2 H2 GLY 1 2HT GLY 1 -12.677 4.033 -5.558
3 H3 GLY 1 3HT GLY 1 -10.997 4.069 -5.406
4 HA2 GLY 1 1HA GLY 1 -12.964 4.108 -3.213
5 HA3 GLY 1 2HA GLY 1 -11.957 2.740 -3.680
6 H THR 2 H THR 2 -10.590 2.518 -1.970
7 HA THR 2 HA THR 2 -9.191 4.941 -1.181
8 HB THR 2 HB THR 2 -10.589 4.358 0.672
9 HG1 THR 2 1HG THR 2 -8.187 3.268 1.621
10 HG21 THR 2 3HG2 THR 2 -10.492 2.180 1.827
11 HG22 THR 2 1HG2 THR 2 -9.377 1.589 0.595
12 HG23 THR 2 2HG2 THR 2 -11.038 1.996 0.156
13 H ASN 3 H ASN 3 -7.440 4.790 -2.376
14 HA ASN 3 HA ASN 3 -5.764 2.423 -2.123
15 HB2 ASN 3 2HB ASN 3 -5.907 3.292 -4.418
16 HB3 ASN 3 1HB ASN 3 -5.448 4.893 -3.862
17 HD21 ASN 3 1HD2 ASN 3 -3.735 4.753 -5.442
18 HD22 ASN 3 2HD2 ASN 3 -2.301 3.884 -5.068
19 H GLU 4 H GLU 4 -4.666 2.378 -0.358
20 HA GLU 4 HA GLU 4 -3.995 4.678 1.138
21 HB2 GLU 4 2HB GLU 4 -3.152 1.797 1.399
22 HB3 GLU 4 1HB GLU 4 -2.711 3.039 2.548
23 HG2 GLU 4 2HG GLU 4 -4.547 1.761 3.427
24 HG3 GLU 4 1HG GLU 4 -5.099 3.383 3.061
25 H CYS 5 H CYS 5 -2.398 2.765 -1.265
26 HA CYS 5 HA CYS 5 0.300 3.433 -0.721
27 HB2 CYS 5 2HB CYS 5 -1.048 2.580 -3.265
28 HB3 CYS 5 1HB CYS 5 0.685 2.640 -3.003
29 H LEU 6 H LEU 6 -2.234 4.990 -2.220
30 HA LEU 6 HA LEU 6 -1.019 6.833 -3.976
31 HB2 LEU 6 2HB LEU 6 -3.521 6.222 -3.453
32 HB3 LEU 6 1HB LEU 6 -3.408 7.511 -2.296
33 HG LEU 6 HG LEU 6 -2.983 7.883 -5.270
34 HD11 LEU 6 1HD1 LEU 6 -5.205 8.904 -5.267
35 HD12 LEU 6 2HD1 LEU 6 -5.406 8.446 -3.575
36 HD13 LEU 6 3HD1 LEU 6 -5.259 7.201 -4.815
37 HD21 LEU 6 3HD2 LEU 6 -1.887 9.595 -3.883
38 HD22 LEU 6 1HD2 LEU 6 -3.418 9.909 -3.067
39 HD23 LEU 6 2HD2 LEU 6 -3.246 10.268 -4.787
40 H ASP 7 H ASP 7 -1.459 6.799 -0.528
41 HA ASP 7 HA ASP 7 -0.384 9.508 -0.256
42 HB2 ASP 7 2HB ASP 7 -2.398 9.074 1.042
43 HB3 ASP 7 1HB ASP 7 -1.643 7.673 1.789
44 H ASN 8 H ASN 8 1.684 9.397 -0.520
45 HA ASN 8 HA ASN 8 3.896 9.004 -0.228
46 HB2 ASN 8 2HB ASN 8 3.022 8.467 2.597
47 HB3 ASN 8 1HB ASN 8 4.685 8.652 2.042
48 HD21 ASN 8 1HD2 ASN 8 5.421 10.714 1.490
49 HD22 ASN 8 2HD2 ASN 8 4.539 12.154 1.822
50 H ASN 9 H ASN 9 2.546 6.921 -1.213
51 HA ASN 9 HA ASN 9 2.884 4.784 -1.968
52 HB2 ASN 9 2HB ASN 9 5.312 5.610 -2.050
53 HB3 ASN 9 1HB ASN 9 5.543 4.811 -0.501
54 HD21 ASN 9 1HD2 ASN 9 7.002 3.289 -1.187
55 HD22 ASN 9 2HD2 ASN 9 6.613 2.029 -2.283
56 H GLY 10 H GLY 10 1.689 5.367 0.645
57 HA2 GLY 10 2HA GLY 10 0.603 4.113 2.244
58 HA3 GLY 10 1HA GLY 10 1.297 2.673 1.516
59 H GLY 11 H GLY 11 3.756 4.813 2.152
60 HA2 GLY 11 2HA GLY 11 5.271 5.016 3.862
61 HA3 GLY 11 1HA GLY 11 4.192 4.087 4.898
62 H CYS 12 H CYS 12 4.730 2.623 1.885
63 HA CYS 12 HA CYS 12 6.266 0.545 3.144
64 HB2 CYS 12 2HB CYS 12 5.290 0.830 0.291
65 HB3 CYS 12 1HB CYS 12 5.966 -0.630 1.000
66 H SER 13 H SER 13 8.400 0.144 2.776
67 HA SER 13 HA SER 13 9.933 2.228 1.539
68 HB2 SER 13 2HB SER 13 11.850 0.800 2.422
69 HB3 SER 13 1HB SER 13 10.745 1.442 3.639
70 HG SER 13 HG SER 13 10.075 -0.502 4.084
71 H HIS 14 H HIS 14 8.415 -0.475 0.547
72 HA HIS 14 HA HIS 14 10.139 -0.760 -1.809
73 HB2 HIS 14 2HB HIS 14 8.683 -3.021 -0.391
74 HB3 HIS 14 1HB HIS 14 9.551 -3.192 -1.901
75 HD1 HIS 14 1HD HIS 14 12.165 -3.346 -1.756
76 HD2 HIS 14 2HD HIS 14 10.282 -2.840 1.914
77 HE1 HIS 14 1HE HIS 14 13.913 -3.764 -0.038
78 HE2 HIS 14 2HE HIS 14 12.826 -3.075 2.105
79 H VAL 15 H VAL 15 8.437 -2.413 -3.301
80 HA VAL 15 HA VAL 15 6.510 -0.660 -4.311
81 HB VAL 15 HB VAL 15 6.427 -3.698 -4.453
82 HG11 VAL 15 1HG1 VAL 15 5.208 -1.643 -6.290
83 HG12 VAL 15 2HG1 VAL 15 4.338 -2.681 -5.163
84 HG13 VAL 15 3HG1 VAL 15 5.187 -3.390 -6.538
85 HG21 VAL 15 3HG2 VAL 15 8.586 -2.866 -5.223
86 HG22 VAL 15 1HG2 VAL 15 7.779 -1.735 -6.308
87 HG23 VAL 15 2HG2 VAL 15 7.638 -3.473 -6.580
88 H CYS 16 H CYS 16 4.481 -0.144 -3.674
89 HA CYS 16 HA CYS 16 3.402 -1.453 -1.307
90 HB2 CYS 16 2HB CYS 16 3.526 1.071 -1.472
91 HB3 CYS 16 1HB CYS 16 2.394 0.966 -2.816
92 H ASN 17 H ASN 17 1.352 -2.454 -1.374
93 HA ASN 17 HA ASN 17 0.239 -2.802 -4.060
94 HB2 ASN 17 2HB ASN 17 1.423 -4.879 -3.393
95 HB3 ASN 17 1HB ASN 17 0.421 -4.964 -1.947
96 HD21 ASN 17 1HD2 ASN 17 -0.530 -6.987 -2.531
97 HD22 ASN 17 2HD2 ASN 17 -1.622 -7.087 -3.850
98 H ASP 18 H ASP 18 -1.538 -1.740 -4.031
99 HA ASP 18 HA ASP 18 -3.050 -1.334 -1.660
100 HB2 ASP 18 2HB ASP 18 -3.083 0.468 -3.139
101 HB3 ASP 18 1HB ASP 18 -3.462 -0.515 -4.536
102 H LEU 19 H LEU 19 -4.239 -2.801 -0.806
103 HA LEU 19 HA LEU 19 -5.555 -4.820 -2.454
104 HB2 LEU 19 2HB LEU 19 -5.502 -4.629 0.559
105 HB3 LEU 19 1HB LEU 19 -6.033 -5.955 -0.417
106 HG LEU 19 HG LEU 19 -3.163 -5.055 -0.412
107 HD11 LEU 19 1HD1 LEU 19 -4.500 -7.312 1.062
108 HD12 LEU 19 2HD1 LEU 19 -3.757 -5.881 1.780
109 HD13 LEU 19 3HD1 LEU 19 -2.759 -7.064 0.933
110 HD21 LEU 19 3HD2 LEU 19 -4.527 -7.527 -1.480
111 HD22 LEU 19 1HD2 LEU 19 -2.792 -7.215 -1.493
112 HD23 LEU 19 2HD2 LEU 19 -3.874 -6.202 -2.445
113 H LYS 20 H LYS 20 -7.830 -5.364 -1.669
114 HA LYS 20 HA LYS 20 -9.435 -3.153 -2.254
115 HB2 LYS 20 2HB LYS 20 -10.048 -5.570 -2.607
116 HB3 LYS 20 1HB LYS 20 -10.319 -5.693 -0.881
117 HG2 LYS 20 2HG LYS 20 -12.388 -5.421 -2.211
118 HG3 LYS 20 1HG LYS 20 -12.156 -4.164 -0.992
119 HD2 LYS 20 2HD LYS 20 -11.430 -2.592 -2.635
120 HD3 LYS 20 1HD LYS 20 -11.348 -3.837 -3.882
121 HE2 LYS 20 2HE LYS 20 -13.320 -2.325 -4.038
122 HE3 LYS 20 1HE LYS 20 -13.724 -4.033 -3.922
123 HZ1 LYS 20 3HZ LYS 20 -14.253 -3.729 -1.612
124 HZ2 LYS 20 1HZ LYS 20 -15.131 -2.640 -2.524
125 HZ3 LYS 20 2HZ LYS 20 -13.805 -2.112 -1.642
126 H ILE 21 H ILE 21 -8.896 -4.791 0.804
127 HA ILE 21 HA ILE 21 -9.713 -2.299 2.052
128 HB ILE 21 HB ILE 21 -10.219 -3.541 4.144
129 HG12 ILE 21 2HG1 ILE 21 -10.086 -6.048 2.465
130 HG13 ILE 21 1HG1 ILE 21 -8.830 -5.562 3.603
131 HG21 ILE 21 1HG2 ILE 21 -12.382 -4.472 3.436
132 HG22 ILE 21 2HG2 ILE 21 -11.849 -4.381 1.757
133 HG23 ILE 21 3HG2 ILE 21 -12.038 -2.905 2.703
134 HD11 ILE 21 3HD1 ILE 21 -10.430 -5.671 5.397
135 HD12 ILE 21 1HD1 ILE 21 -10.297 -7.226 4.569
136 HD13 ILE 21 2HD1 ILE 21 -11.690 -6.171 4.265
137 H GLY 22 H GLY 22 -8.346 -1.411 3.386
138 HA2 GLY 22 2HA GLY 22 -6.221 -0.844 4.107
139 HA3 GLY 22 1HA GLY 22 -5.980 -2.566 4.378
140 H TYR 23 H TYR 23 -3.899 -2.712 3.587
141 HA TYR 23 HA TYR 23 -3.469 -2.927 0.801
142 HB2 TYR 23 2HB TYR 23 -1.902 -1.116 0.477
143 HB3 TYR 23 1HB TYR 23 -3.366 -0.399 1.133
144 HD1 TYR 23 2HD TYR 23 -3.369 -0.115 3.782
145 HD2 TYR 23 1HD TYR 23 0.138 -0.556 1.417
146 HE1 TYR 23 2HE TYR 23 -2.035 0.887 5.581
147 HE2 TYR 23 1HE TYR 23 1.476 0.433 3.214
148 HH TYR 23 HH TYR 23 1.109 1.951 5.104
149 H GLU 24 H GLU 24 -0.988 -3.367 0.520
150 HA GLU 24 HA GLU 24 0.252 -4.208 3.000
151 HB2 GLU 24 2HB GLU 24 0.791 -6.402 2.185
152 HB3 GLU 24 1HB GLU 24 -0.945 -6.193 2.041
153 HG2 GLU 24 2HG GLU 24 -0.718 -5.761 -0.329
154 HG3 GLU 24 1HG GLU 24 1.037 -5.890 -0.190
155 H CYS 25 H CYS 25 2.563 -4.681 2.606
156 HA CYS 25 HA CYS 25 3.603 -3.092 0.366
157 HB2 CYS 25 2HB CYS 25 5.004 -3.859 2.949
158 HB3 CYS 25 1HB CYS 25 5.591 -2.767 1.703
159 H LEU 26 H LEU 26 4.940 -4.120 -1.076
160 HA LEU 26 HA LEU 26 5.579 -6.944 -0.534
161 HB2 LEU 26 2HB LEU 26 5.021 -5.615 -3.199
162 HB3 LEU 26 1HB LEU 26 5.541 -7.273 -2.999
163 HG LEU 26 HG LEU 26 2.928 -6.092 -2.094
164 HD11 LEU 26 1HD1 LEU 26 3.586 -8.022 -4.319
165 HD12 LEU 26 2HD1 LEU 26 3.080 -6.343 -4.510
166 HD13 LEU 26 3HD1 LEU 26 1.963 -7.530 -3.836
167 HD21 LEU 26 3HD2 LEU 26 2.297 -8.398 -1.558
168 HD22 LEU 26 1HD2 LEU 26 3.666 -7.867 -0.587
169 HD23 LEU 26 2HD2 LEU 26 3.927 -8.941 -1.962
170 HN1 NH2 27 1H LEU 26 6.700 -5.078 -3.244
171 HN2 NH2 27 2H LEU 26 8.356 -5.016 -2.762
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -13.415 3.465 -1.775
2 H2 GLY 1 2HT GLY 1 -13.426 4.070 -0.211
3 H3 GLY 1 3HT GLY 1 -14.196 2.591 -0.566
4 HA2 GLY 1 1HA GLY 1 -12.070 2.241 0.524
5 HA3 GLY 1 2HA GLY 1 -12.101 1.593 -1.113
6 H THR 2 H THR 2 -9.969 2.803 0.767
7 HA THR 2 HA THR 2 -9.126 5.161 -0.673
8 HB THR 2 HB THR 2 -7.346 4.913 1.234
9 HG1 THR 2 1HG THR 2 -7.739 3.095 2.206
10 HG21 THR 2 3HG2 THR 2 -9.022 6.700 1.099
11 HG22 THR 2 1HG2 THR 2 -8.847 6.104 2.750
12 HG23 THR 2 2HG2 THR 2 -10.239 5.609 1.777
13 H ASN 3 H ASN 3 -7.252 5.244 -1.892
14 HA ASN 3 HA ASN 3 -5.756 2.743 -2.213
15 HB2 ASN 3 2HB ASN 3 -6.559 3.888 -4.308
16 HB3 ASN 3 1HB ASN 3 -5.580 5.278 -3.876
17 HD21 ASN 3 1HD2 ASN 3 -5.524 3.410 -6.191
18 HD22 ASN 3 2HD2 ASN 3 -3.888 2.860 -6.274
19 H GLU 4 H GLU 4 -4.638 2.763 -0.384
20 HA GLU 4 HA GLU 4 -3.408 4.922 0.846
21 HB2 GLU 4 2HB GLU 4 -2.728 1.998 1.013
22 HB3 GLU 4 1HB GLU 4 -2.094 3.226 2.084
23 HG2 GLU 4 2HG GLU 4 -3.824 2.127 3.245
24 HG3 GLU 4 1HG GLU 4 -4.455 3.697 2.777
25 H CYS 5 H CYS 5 -2.215 2.757 -1.614
26 HA CYS 5 HA CYS 5 0.521 3.265 -1.222
27 HB2 CYS 5 2HB CYS 5 -0.924 2.273 -3.654
28 HB3 CYS 5 1HB CYS 5 0.814 2.261 -3.422
29 H LEU 6 H LEU 6 -1.868 4.922 -3.041
30 HA LEU 6 HA LEU 6 -0.145 6.589 -4.566
31 HB2 LEU 6 2HB LEU 6 -2.932 7.020 -3.566
32 HB3 LEU 6 1HB LEU 6 -2.097 8.190 -4.555
33 HG LEU 6 HG LEU 6 -2.896 5.373 -5.332
34 HD11 LEU 6 1HD1 LEU 6 -4.391 6.480 -6.912
35 HD12 LEU 6 2HD1 LEU 6 -3.890 8.051 -6.285
36 HD13 LEU 6 3HD1 LEU 6 -4.762 6.925 -5.245
37 HD21 LEU 6 3HD2 LEU 6 -1.464 7.479 -6.962
38 HD22 LEU 6 1HD2 LEU 6 -2.106 5.962 -7.592
39 HD23 LEU 6 2HD2 LEU 6 -0.794 5.937 -6.422
40 H ASP 7 H ASP 7 -1.214 6.715 -1.322
41 HA ASP 7 HA ASP 7 -0.099 9.398 -0.921
42 HB2 ASP 7 2HB ASP 7 -2.321 8.973 0.068
43 HB3 ASP 7 1HB ASP 7 -1.632 7.646 0.999
44 H ASN 8 H ASN 8 2.054 9.213 -0.822
45 HA ASN 8 HA ASN 8 4.114 8.905 0.117
46 HB2 ASN 8 2HB ASN 8 2.425 8.072 2.469
47 HB3 ASN 8 1HB ASN 8 4.183 8.150 2.494
48 HD21 ASN 8 1HD2 ASN 8 3.882 9.669 4.197
49 HD22 ASN 8 2HD2 ASN 8 3.536 11.333 3.876
50 H ASN 9 H ASN 9 2.817 6.821 -1.316
51 HA ASN 9 HA ASN 9 2.999 4.636 -1.979
52 HB2 ASN 9 2HB ASN 9 5.456 5.308 -1.995
53 HB3 ASN 9 1HB ASN 9 5.593 4.586 -0.396
54 HD21 ASN 9 1HD2 ASN 9 6.939 2.973 -0.896
55 HD22 ASN 9 2HD2 ASN 9 6.589 1.643 -1.925
56 H GLY 10 H GLY 10 1.530 5.209 0.403
57 HA2 GLY 10 2HA GLY 10 0.287 3.936 1.868
58 HA3 GLY 10 1HA GLY 10 1.256 2.537 1.428
59 H GLY 11 H GLY 11 3.286 5.010 2.180
60 HA2 GLY 11 2HA GLY 11 4.509 5.558 4.046
61 HA3 GLY 11 1HA GLY 11 3.422 4.573 5.025
62 H CYS 12 H CYS 12 4.641 3.099 2.160
63 HA CYS 12 HA CYS 12 6.389 1.458 3.821
64 HB2 CYS 12 2HB CYS 12 4.914 0.871 1.260
65 HB3 CYS 12 1HB CYS 12 6.029 -0.250 2.027
66 H SER 13 H SER 13 8.442 1.000 3.152
67 HA SER 13 HA SER 13 9.586 2.875 1.269
68 HB2 SER 13 2HB SER 13 10.612 2.536 3.506
69 HB3 SER 13 1HB SER 13 10.903 0.850 3.100
70 HG SER 13 HG SER 13 12.258 1.555 1.421
71 H HIS 14 H HIS 14 8.318 -0.192 1.171
72 HA HIS 14 HA HIS 14 9.987 -0.917 -1.125
73 HB2 HIS 14 2HB HIS 14 8.493 -2.737 0.772
74 HB3 HIS 14 1HB HIS 14 9.199 -3.286 -0.734
75 HD1 HIS 14 1HD HIS 14 9.967 -2.946 2.773
76 HD2 HIS 14 2HD HIS 14 12.122 -2.811 -0.781
77 HE1 HIS 14 1HE HIS 14 12.332 -3.375 3.405
78 HE2 HIS 14 2HE HIS 14 13.626 -2.975 1.299
79 H VAL 15 H VAL 15 8.339 -2.879 -2.236
80 HA VAL 15 HA VAL 15 6.658 -1.394 -3.884
81 HB VAL 15 HB VAL 15 6.515 -4.347 -3.270
82 HG11 VAL 15 1HG1 VAL 15 5.558 -4.572 -5.523
83 HG12 VAL 15 2HG1 VAL 15 5.552 -2.812 -5.674
84 HG13 VAL 15 3HG1 VAL 15 4.549 -3.595 -4.454
85 HG21 VAL 15 3HG2 VAL 15 7.971 -4.640 -5.251
86 HG22 VAL 15 1HG2 VAL 15 8.765 -3.760 -3.943
87 HG23 VAL 15 2HG2 VAL 15 8.145 -2.887 -5.341
88 H CYS 16 H CYS 16 4.766 -0.461 -3.355
89 HA CYS 16 HA CYS 16 3.123 -1.735 -1.303
90 HB2 CYS 16 2HB CYS 16 3.597 0.767 -1.117
91 HB3 CYS 16 1HB CYS 16 2.668 0.956 -2.596
92 H ASN 17 H ASN 17 1.379 -2.677 -1.784
93 HA ASN 17 HA ASN 17 0.385 -2.770 -4.556
94 HB2 ASN 17 2HB ASN 17 1.490 -4.857 -3.883
95 HB3 ASN 17 1HB ASN 17 0.497 -4.963 -2.442
96 HD21 ASN 17 1HD2 ASN 17 -0.340 -6.975 -3.008
97 HD22 ASN 17 2HD2 ASN 17 -1.462 -7.177 -4.296
98 H ASP 18 H ASP 18 -1.467 -1.674 -4.543
99 HA ASP 18 HA ASP 18 -2.941 -1.318 -2.106
100 HB2 ASP 18 2HB ASP 18 -2.871 0.621 -3.446
101 HB3 ASP 18 1HB ASP 18 -3.371 -0.262 -4.886
102 H LEU 19 H LEU 19 -4.354 -2.608 -1.376
103 HA LEU 19 HA LEU 19 -5.799 -4.404 -3.178
104 HB2 LEU 19 2HB LEU 19 -5.709 -4.429 -0.158
105 HB3 LEU 19 1HB LEU 19 -6.392 -5.644 -1.190
106 HG LEU 19 HG LEU 19 -3.449 -5.035 -0.960
107 HD11 LEU 19 1HD1 LEU 19 -5.096 -7.356 0.020
108 HD12 LEU 19 2HD1 LEU 19 -4.301 -6.133 1.014
109 HD13 LEU 19 3HD1 LEU 19 -3.338 -7.265 0.064
110 HD21 LEU 19 3HD2 LEU 19 -3.139 -7.019 -2.357
111 HD22 LEU 19 1HD2 LEU 19 -4.050 -5.776 -3.212
112 HD23 LEU 19 2HD2 LEU 19 -4.888 -7.172 -2.534
113 H LYS 20 H LYS 20 -8.171 -4.680 -2.502
114 HA LYS 20 HA LYS 20 -9.399 -2.121 -2.571
115 HB2 LYS 20 2HB LYS 20 -10.690 -4.792 -1.944
116 HB3 LYS 20 1HB LYS 20 -11.559 -3.305 -2.282
117 HG2 LYS 20 2HG LYS 20 -9.773 -4.790 -4.204
118 HG3 LYS 20 1HG LYS 20 -11.535 -4.744 -4.229
119 HD2 LYS 20 2HD LYS 20 -11.476 -2.347 -4.655
120 HD3 LYS 20 1HD LYS 20 -9.716 -2.360 -4.560
121 HE2 LYS 20 2HE LYS 20 -10.379 -2.345 -6.860
122 HE3 LYS 20 1HE LYS 20 -9.654 -3.901 -6.477
123 HZ1 LYS 20 3HZ LYS 20 -11.944 -4.803 -6.259
124 HZ2 LYS 20 1HZ LYS 20 -11.620 -4.210 -7.807
125 HZ3 LYS 20 2HZ LYS 20 -12.544 -3.309 -6.731
126 H ILE 21 H ILE 21 -9.056 -4.478 -0.026
127 HA ILE 21 HA ILE 21 -9.812 -2.377 1.861
128 HB ILE 21 HB ILE 21 -9.917 -5.388 2.253
129 HG12 ILE 21 2HG1 ILE 21 -11.763 -4.603 0.870
130 HG13 ILE 21 1HG1 ILE 21 -12.345 -5.048 2.471
131 HG21 ILE 21 1HG2 ILE 21 -10.652 -3.185 4.175
132 HG22 ILE 21 2HG2 ILE 21 -9.283 -4.288 4.327
133 HG23 ILE 21 3HG2 ILE 21 -10.935 -4.905 4.439
134 HD11 ILE 21 3HD1 ILE 21 -13.430 -3.023 1.684
135 HD12 ILE 21 1HD1 ILE 21 -11.863 -2.238 1.489
136 HD13 ILE 21 2HD1 ILE 21 -12.433 -2.684 3.096
137 H GLY 22 H GLY 22 -8.151 -1.451 2.564
138 HA2 GLY 22 2HA GLY 22 -6.141 -1.135 3.622
139 HA3 GLY 22 1HA GLY 22 -5.942 -2.886 3.698
140 H TYR 23 H TYR 23 -3.890 -2.919 2.998
141 HA TYR 23 HA TYR 23 -3.471 -2.920 0.212
142 HB2 TYR 23 2HB TYR 23 -1.598 -1.294 0.180
143 HB3 TYR 23 1HB TYR 23 -3.114 -0.511 0.585
144 HD1 TYR 23 2HD TYR 23 -3.542 -0.209 3.176
145 HD2 TYR 23 1HD TYR 23 0.284 -0.841 1.456
146 HE1 TYR 23 2HE TYR 23 -2.510 0.798 5.142
147 HE2 TYR 23 1HE TYR 23 1.340 0.176 3.427
148 HH TYR 23 HH TYR 23 0.751 1.742 5.152
149 H GLU 24 H GLU 24 -1.035 -3.453 -0.112
150 HA GLU 24 HA GLU 24 -0.104 -5.199 2.048
151 HB2 GLU 24 2HB GLU 24 -1.393 -6.541 0.509
152 HB3 GLU 24 1HB GLU 24 -0.575 -5.839 -0.869
153 HG2 GLU 24 2HG GLU 24 1.506 -6.897 -0.108
154 HG3 GLU 24 1HG GLU 24 0.604 -7.686 1.195
155 H CYS 25 H CYS 25 2.066 -4.758 2.371
156 HA CYS 25 HA CYS 25 3.433 -3.541 0.109
157 HB2 CYS 25 2HB CYS 25 4.040 -3.284 3.059
158 HB3 CYS 25 1HB CYS 25 5.044 -2.619 1.772
159 H LEU 26 H LEU 26 5.021 -4.501 -0.791
160 HA LEU 26 HA LEU 26 5.865 -7.077 0.314
161 HB2 LEU 26 2HB LEU 26 6.035 -6.085 -2.550
162 HB3 LEU 26 1HB LEU 26 6.580 -7.641 -1.989
163 HG LEU 26 HG LEU 26 4.151 -8.126 -1.398
164 HD11 LEU 26 1HD1 LEU 26 3.291 -5.858 -1.431
165 HD12 LEU 26 2HD1 LEU 26 2.443 -6.876 -2.595
166 HD13 LEU 26 3HD1 LEU 26 3.664 -5.729 -3.150
167 HD21 LEU 26 3HD2 LEU 26 5.241 -9.120 -3.301
168 HD22 LEU 26 1HD2 LEU 26 4.909 -7.687 -4.274
169 HD23 LEU 26 2HD2 LEU 26 3.579 -8.695 -3.710
170 HN1 NH2 27 1H LEU 26 7.538 -6.543 1.546
171 HN2 NH2 27 2H LEU 26 8.936 -5.675 1.022
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -13.082 4.036 -0.426
2 H2 GLY 1 2HT GLY 1 -13.985 2.785 -1.119
3 H3 GLY 1 3HT GLY 1 -13.139 3.865 -2.094
4 HA2 GLY 1 1HA GLY 1 -11.881 1.968 -0.230
5 HA3 GLY 1 2HA GLY 1 -11.998 1.779 -1.971
6 H THR 2 H THR 2 -10.454 3.405 0.647
7 HA THR 2 HA THR 2 -9.090 5.418 -0.710
8 HB THR 2 HB THR 2 -8.282 3.956 1.809
9 HG1 THR 2 1HG THR 2 -10.001 6.205 1.516
10 HG21 THR 2 3HG2 THR 2 -7.860 6.816 0.905
11 HG22 THR 2 1HG2 THR 2 -6.626 5.557 0.912
12 HG23 THR 2 2HG2 THR 2 -7.314 6.123 2.432
13 H ASN 3 H ASN 3 -7.144 5.398 -1.796
14 HA ASN 3 HA ASN 3 -5.717 2.847 -1.965
15 HB2 ASN 3 2HB ASN 3 -6.453 3.818 -4.144
16 HB3 ASN 3 1HB ASN 3 -5.517 5.263 -3.796
17 HD21 ASN 3 1HD2 ASN 3 -5.316 3.361 -6.012
18 HD22 ASN 3 2HD2 ASN 3 -3.689 2.795 -6.003
19 H GLU 4 H GLU 4 -4.511 2.896 -0.229
20 HA GLU 4 HA GLU 4 -3.333 5.133 0.931
21 HB2 GLU 4 2HB GLU 4 -2.654 2.208 1.181
22 HB3 GLU 4 1HB GLU 4 -1.987 3.469 2.196
23 HG2 GLU 4 2HG GLU 4 -3.723 2.352 3.397
24 HG3 GLU 4 1HG GLU 4 -4.277 3.970 3.004
25 H CYS 5 H CYS 5 -2.247 2.976 -1.573
26 HA CYS 5 HA CYS 5 0.520 3.425 -1.331
27 HB2 CYS 5 2HB CYS 5 -1.103 2.544 -3.693
28 HB3 CYS 5 1HB CYS 5 0.650 2.471 -3.584
29 H LEU 6 H LEU 6 -1.973 5.119 -2.957
30 HA LEU 6 HA LEU 6 -0.405 6.748 -4.635
31 HB2 LEU 6 2HB LEU 6 -3.065 7.207 -3.360
32 HB3 LEU 6 1HB LEU 6 -2.315 8.375 -4.421
33 HG LEU 6 HG LEU 6 -3.190 5.560 -5.141
34 HD11 LEU 6 1HD1 LEU 6 -4.834 6.660 -6.564
35 HD12 LEU 6 2HD1 LEU 6 -4.288 8.233 -5.986
36 HD13 LEU 6 3HD1 LEU 6 -5.050 7.100 -4.871
37 HD21 LEU 6 3HD2 LEU 6 -1.223 6.123 -6.432
38 HD22 LEU 6 1HD2 LEU 6 -1.919 7.688 -6.865
39 HD23 LEU 6 2HD2 LEU 6 -2.648 6.201 -7.460
40 H ASP 7 H ASP 7 -1.044 6.926 -1.290
41 HA ASP 7 HA ASP 7 0.212 9.585 -1.113
42 HB2 ASP 7 2HB ASP 7 -2.018 9.325 -0.030
43 HB3 ASP 7 1HB ASP 7 -1.321 8.112 1.039
44 H ASN 8 H ASN 8 2.317 9.341 -0.957
45 HA ASN 8 HA ASN 8 4.357 8.830 -0.199
46 HB2 ASN 8 2HB ASN 8 2.826 8.327 2.338
47 HB3 ASN 8 1HB ASN 8 4.582 8.216 2.195
48 HD21 ASN 8 1HD2 ASN 8 1.823 10.381 2.246
49 HD22 ASN 8 2HD2 ASN 8 2.768 11.823 2.347
50 H ASN 9 H ASN 9 3.014 6.852 -1.526
51 HA ASN 9 HA ASN 9 3.287 4.709 -2.252
52 HB2 ASN 9 2HB ASN 9 5.716 5.424 -2.142
53 HB3 ASN 9 1HB ASN 9 5.794 4.699 -0.542
54 HD21 ASN 9 1HD2 ASN 9 7.388 3.255 -1.181
55 HD22 ASN 9 2HD2 ASN 9 7.067 1.912 -2.201
56 H GLY 10 H GLY 10 1.690 5.177 0.043
57 HA2 GLY 10 2HA GLY 10 0.345 3.865 1.366
58 HA3 GLY 10 1HA GLY 10 1.204 2.470 0.750
59 H GLY 11 H GLY 11 3.290 4.745 2.104
60 HA2 GLY 11 2HA GLY 11 4.369 4.837 4.157
61 HA3 GLY 11 1HA GLY 11 3.144 3.747 4.809
62 H CYS 12 H CYS 12 4.387 2.626 1.929
63 HA CYS 12 HA CYS 12 5.878 0.595 3.307
64 HB2 CYS 12 2HB CYS 12 5.022 0.863 0.425
65 HB3 CYS 12 1HB CYS 12 5.853 -0.530 1.107
66 H SER 13 H SER 13 8.052 0.477 3.231
67 HA SER 13 HA SER 13 9.545 2.484 1.884
68 HB2 SER 13 2HB SER 13 11.437 0.986 2.875
69 HB3 SER 13 1HB SER 13 10.418 1.912 3.980
70 HG SER 13 HG SER 13 10.150 0.084 4.851
71 H HIS 14 H HIS 14 8.468 -0.715 1.385
72 HA HIS 14 HA HIS 14 10.093 -1.009 -1.042
73 HB2 HIS 14 2HB HIS 14 8.314 -2.984 0.410
74 HB3 HIS 14 1HB HIS 14 9.015 -3.314 -1.153
75 HD1 HIS 14 1HD HIS 14 11.300 -4.286 -1.188
76 HD2 HIS 14 2HD HIS 14 10.286 -2.714 2.509
77 HE1 HIS 14 1HE HIS 14 13.162 -4.965 0.353
78 HE2 HIS 14 2HE HIS 14 12.423 -4.159 2.632
79 H VAL 15 H VAL 15 8.423 -2.419 -2.657
80 HA VAL 15 HA VAL 15 6.722 -0.476 -3.782
81 HB VAL 15 HB VAL 15 6.522 -3.492 -4.145
82 HG11 VAL 15 1HG1 VAL 15 4.564 -2.334 -4.999
83 HG12 VAL 15 2HG1 VAL 15 5.529 -2.976 -6.328
84 HG13 VAL 15 3HG1 VAL 15 5.591 -1.256 -5.945
85 HG21 VAL 15 3HG2 VAL 15 7.942 -3.175 -6.142
86 HG22 VAL 15 1HG2 VAL 15 8.780 -2.761 -4.647
87 HG23 VAL 15 2HG2 VAL 15 8.161 -1.484 -5.692
88 H CYS 16 H CYS 16 4.662 0.095 -3.319
89 HA CYS 16 HA CYS 16 3.289 -1.266 -1.153
90 HB2 CYS 16 2HB CYS 16 3.380 1.251 -1.293
91 HB3 CYS 16 1HB CYS 16 2.440 1.127 -2.777
92 H ASN 17 H ASN 17 1.358 -2.325 -1.422
93 HA ASN 17 HA ASN 17 0.375 -2.576 -4.166
94 HB2 ASN 17 2HB ASN 17 1.539 -4.668 -3.490
95 HB3 ASN 17 1HB ASN 17 0.445 -4.798 -2.114
96 HD21 ASN 17 1HD2 ASN 17 -0.492 -6.734 -2.776
97 HD22 ASN 17 2HD2 ASN 17 -1.511 -6.837 -4.155
98 H ASP 18 H ASP 18 -1.496 -1.638 -4.203
99 HA ASP 18 HA ASP 18 -3.010 -1.291 -1.797
100 HB2 ASP 18 2HB ASP 18 -3.079 0.555 -3.336
101 HB3 ASP 18 1HB ASP 18 -3.616 -0.488 -4.648
102 H LEU 19 H LEU 19 -4.582 -2.436 -1.080
103 HA LEU 19 HA LEU 19 -5.609 -4.621 -2.739
104 HB2 LEU 19 2HB LEU 19 -5.792 -4.292 0.250
105 HB3 LEU 19 1HB LEU 19 -6.239 -5.686 -0.672
106 HG LEU 19 HG LEU 19 -3.407 -4.718 -0.326
107 HD11 LEU 19 1HD1 LEU 19 -3.146 -6.743 1.016
108 HD12 LEU 19 2HD1 LEU 19 -4.875 -7.063 0.848
109 HD13 LEU 19 3HD1 LEU 19 -4.322 -5.632 1.716
110 HD21 LEU 19 3HD2 LEU 19 -3.754 -5.804 -2.480
111 HD22 LEU 19 1HD2 LEU 19 -4.507 -7.179 -1.672
112 HD23 LEU 19 2HD2 LEU 19 -2.802 -6.821 -1.401
113 H LYS 20 H LYS 20 -7.965 -5.042 -2.297
114 HA LYS 20 HA LYS 20 -9.415 -2.596 -2.592
115 HB2 LYS 20 2HB LYS 20 -10.139 -4.816 -3.591
116 HB3 LYS 20 1HB LYS 20 -10.561 -5.336 -1.966
117 HG2 LYS 20 2HG LYS 20 -12.579 -4.629 -3.015
118 HG3 LYS 20 1HG LYS 20 -12.131 -3.384 -1.846
119 HD2 LYS 20 2HD LYS 20 -11.104 -2.077 -3.683
120 HD3 LYS 20 1HD LYS 20 -11.661 -3.295 -4.825
121 HE2 LYS 20 2HE LYS 20 -13.217 -1.478 -4.888
122 HE3 LYS 20 1HE LYS 20 -13.997 -2.825 -4.064
123 HZ1 LYS 20 3HZ LYS 20 -14.387 -0.702 -2.949
124 HZ2 LYS 20 1HZ LYS 20 -12.743 -0.484 -2.738
125 HZ3 LYS 20 2HZ LYS 20 -13.534 -1.729 -1.928
126 H ILE 21 H ILE 21 -9.041 -5.010 -0.114
127 HA ILE 21 HA ILE 21 -10.198 -3.149 1.791
128 HB ILE 21 HB ILE 21 -11.400 -5.248 1.789
129 HG12 ILE 21 2HG1 ILE 21 -11.111 -6.007 4.151
130 HG13 ILE 21 1HG1 ILE 21 -9.640 -5.047 4.237
131 HG21 ILE 21 1HG2 ILE 21 -9.808 -6.738 0.811
132 HG22 ILE 21 2HG2 ILE 21 -10.393 -7.417 2.330
133 HG23 ILE 21 3HG2 ILE 21 -8.798 -6.669 2.255
134 HD11 ILE 21 3HD1 ILE 21 -10.932 -3.018 3.842
135 HD12 ILE 21 1HD1 ILE 21 -11.520 -3.893 5.253
136 HD13 ILE 21 2HD1 ILE 21 -12.409 -3.976 3.732
137 H GLY 22 H GLY 22 -8.416 -1.891 2.042
138 HA2 GLY 22 2HA GLY 22 -6.688 -1.416 3.619
139 HA3 GLY 22 1HA GLY 22 -6.306 -3.129 3.634
140 H TYR 23 H TYR 23 -4.238 -3.129 3.099
141 HA TYR 23 HA TYR 23 -3.394 -2.750 0.430
142 HB2 TYR 23 2HB TYR 23 -1.694 -0.973 0.901
143 HB3 TYR 23 1HB TYR 23 -3.332 -0.359 1.096
144 HD1 TYR 23 2HD TYR 23 -4.244 -0.038 3.400
145 HD2 TYR 23 1HD TYR 23 -0.148 -0.973 2.756
146 HE1 TYR 23 2HE TYR 23 -3.728 0.698 5.670
147 HE2 TYR 23 1HE TYR 23 0.370 -0.241 5.053
148 HH TYR 23 HH TYR 23 -2.058 0.258 7.340
149 H GLU 24 H GLU 24 -0.818 -3.069 0.513
150 HA GLU 24 HA GLU 24 0.182 -4.172 2.950
151 HB2 GLU 24 2HB GLU 24 0.700 -6.379 2.112
152 HB3 GLU 24 1HB GLU 24 -1.027 -6.123 1.937
153 HG2 GLU 24 2HG GLU 24 -0.732 -5.678 -0.434
154 HG3 GLU 24 1HG GLU 24 1.012 -5.876 -0.260
155 H CYS 25 H CYS 25 2.469 -4.619 2.730
156 HA CYS 25 HA CYS 25 3.694 -3.039 0.589
157 HB2 CYS 25 2HB CYS 25 4.824 -3.966 3.240
158 HB3 CYS 25 1HB CYS 25 5.646 -2.944 2.067
159 H LEU 26 H LEU 26 5.105 -4.021 -0.798
160 HA LEU 26 HA LEU 26 5.597 -6.883 -0.348
161 HB2 LEU 26 2HB LEU 26 5.158 -5.449 -2.966
162 HB3 LEU 26 1HB LEU 26 5.647 -7.123 -2.807
163 HG LEU 26 HG LEU 26 3.027 -5.959 -1.891
164 HD11 LEU 26 1HD1 LEU 26 2.081 -7.257 -3.728
165 HD12 LEU 26 2HD1 LEU 26 3.698 -7.778 -4.201
166 HD13 LEU 26 3HD1 LEU 26 3.248 -6.077 -4.323
167 HD21 LEU 26 3HD2 LEU 26 4.020 -8.813 -1.917
168 HD22 LEU 26 1HD2 LEU 26 2.393 -8.287 -1.476
169 HD23 LEU 26 2HD2 LEU 26 3.769 -7.815 -0.484
170 HN1 NH2 27 1H LEU 26 6.917 -4.950 -2.927
171 HN2 NH2 27 2H LEU 26 8.553 -5.014 -2.374
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -10.839 1.588 -4.931
2 H2 GLY 1 2HT GLY 1 -12.045 2.754 -5.015
3 H3 GLY 1 3HT GLY 1 -12.453 1.120 -4.771
4 HA2 GLY 1 1HA GLY 1 -12.622 2.359 -2.727
5 HA3 GLY 1 2HA GLY 1 -11.354 1.132 -2.681
6 H THR 2 H THR 2 -10.530 2.486 -0.938
7 HA THR 2 HA THR 2 -9.243 4.929 -1.845
8 HB THR 2 HB THR 2 -9.291 3.694 0.927
9 HG1 THR 2 1HG THR 2 -11.068 5.288 -0.517
10 HG21 THR 2 3HG2 THR 2 -8.654 6.498 -0.030
11 HG22 THR 2 1HG2 THR 2 -7.480 5.321 0.555
12 HG23 THR 2 2HG2 THR 2 -8.697 5.974 1.653
13 H ASN 3 H ASN 3 -7.227 4.868 -2.523
14 HA ASN 3 HA ASN 3 -5.631 2.445 -2.173
15 HB2 ASN 3 2HB ASN 3 -5.981 3.403 -4.461
16 HB3 ASN 3 1HB ASN 3 -5.188 4.868 -3.933
17 HD21 ASN 3 1HD2 ASN 3 -4.496 3.081 -6.099
18 HD22 ASN 3 2HD2 ASN 3 -2.883 2.555 -5.802
19 H GLU 4 H GLU 4 -4.765 2.616 -0.154
20 HA GLU 4 HA GLU 4 -3.848 4.980 1.065
21 HB2 GLU 4 2HB GLU 4 -3.128 2.102 1.618
22 HB3 GLU 4 1HB GLU 4 -2.649 3.442 2.631
23 HG2 GLU 4 2HG GLU 4 -4.514 2.269 3.612
24 HG3 GLU 4 1HG GLU 4 -5.008 3.885 3.146
25 H CYS 5 H CYS 5 -2.384 2.818 -1.154
26 HA CYS 5 HA CYS 5 0.335 3.360 -0.548
27 HB2 CYS 5 2HB CYS 5 -0.978 2.208 -2.975
28 HB3 CYS 5 1HB CYS 5 0.752 2.281 -2.700
29 H LEU 6 H LEU 6 -2.012 4.946 -2.331
30 HA LEU 6 HA LEU 6 -0.437 6.431 -4.143
31 HB2 LEU 6 2HB LEU 6 -3.073 7.054 -2.889
32 HB3 LEU 6 1HB LEU 6 -2.295 8.178 -3.990
33 HG LEU 6 HG LEU 6 -3.246 5.384 -4.588
34 HD11 LEU 6 1HD1 LEU 6 -5.027 7.030 -4.325
35 HD12 LEU 6 2HD1 LEU 6 -4.868 6.514 -6.003
36 HD13 LEU 6 3HD1 LEU 6 -4.232 8.080 -5.498
37 HD21 LEU 6 3HD2 LEU 6 -1.929 7.416 -6.396
38 HD22 LEU 6 1HD2 LEU 6 -2.685 5.913 -6.922
39 HD23 LEU 6 2HD2 LEU 6 -1.258 5.857 -5.902
40 H ASP 7 H ASP 7 -1.135 7.053 -0.763
41 HA ASP 7 HA ASP 7 0.576 9.421 -1.024
42 HB2 ASP 7 2HB ASP 7 -1.573 10.023 -0.072
43 HB3 ASP 7 1HB ASP 7 -1.408 8.777 1.161
44 H ASN 8 H ASN 8 2.529 9.232 -0.492
45 HA ASN 8 HA ASN 8 4.451 8.774 0.571
46 HB2 ASN 8 2HB ASN 8 3.034 9.390 2.544
47 HB3 ASN 8 1HB ASN 8 2.818 7.679 2.853
48 HD21 ASN 8 1HD2 ASN 8 5.802 9.177 1.696
49 HD22 ASN 8 2HD2 ASN 8 6.725 8.821 3.103
50 H ASN 9 H ASN 9 2.861 6.841 -0.872
51 HA ASN 9 HA ASN 9 2.896 4.674 -1.663
52 HB2 ASN 9 2HB ASN 9 5.345 5.317 -1.926
53 HB3 ASN 9 1HB ASN 9 5.651 4.523 -0.388
54 HD21 ASN 9 1HD2 ASN 9 6.912 2.946 -1.103
55 HD22 ASN 9 2HD2 ASN 9 6.432 1.666 -2.150
56 H GLY 10 H GLY 10 1.653 5.132 0.818
57 HA2 GLY 10 2HA GLY 10 0.571 3.845 2.385
58 HA3 GLY 10 1HA GLY 10 1.473 2.449 1.813
59 H GLY 11 H GLY 11 3.701 4.750 2.403
60 HA2 GLY 11 2HA GLY 11 4.944 5.360 4.285
61 HA3 GLY 11 1HA GLY 11 4.012 4.215 5.249
62 H CYS 12 H CYS 12 4.936 2.885 2.305
63 HA CYS 12 HA CYS 12 7.006 1.345 3.671
64 HB2 CYS 12 2HB CYS 12 5.187 0.684 1.359
65 HB3 CYS 12 1HB CYS 12 6.426 -0.395 1.987
66 H SER 13 H SER 13 8.931 0.933 2.671
67 HA SER 13 HA SER 13 9.745 2.873 0.701
68 HB2 SER 13 2HB SER 13 11.154 2.403 2.718
69 HB3 SER 13 1HB SER 13 11.360 0.750 2.151
70 HG SER 13 HG SER 13 12.105 3.005 0.616
71 H HIS 14 H HIS 14 8.822 -0.439 0.877
72 HA HIS 14 HA HIS 14 10.020 -1.033 -1.721
73 HB2 HIS 14 2HB HIS 14 8.531 -2.825 0.211
74 HB3 HIS 14 1HB HIS 14 9.096 -3.353 -1.358
75 HD1 HIS 14 1HD HIS 14 11.694 -3.574 -1.656
76 HD2 HIS 14 2HD HIS 14 10.433 -2.781 2.210
77 HE1 HIS 14 1HE HIS 14 13.671 -4.058 -0.184
78 HE2 HIS 14 2HE HIS 14 12.933 -3.375 2.118
79 H VAL 15 H VAL 15 8.229 -2.721 -2.878
80 HA VAL 15 HA VAL 15 6.422 -0.966 -4.120
81 HB VAL 15 HB VAL 15 6.413 -4.003 -4.074
82 HG11 VAL 15 1HG1 VAL 15 4.260 -3.135 -4.829
83 HG12 VAL 15 2HG1 VAL 15 5.146 -3.871 -6.167
84 HG13 VAL 15 3HG1 VAL 15 5.083 -2.115 -6.010
85 HG21 VAL 15 3HG2 VAL 15 7.577 -3.835 -6.215
86 HG22 VAL 15 1HG2 VAL 15 8.505 -3.096 -4.910
87 HG23 VAL 15 2HG2 VAL 15 7.620 -2.081 -6.049
88 H CYS 16 H CYS 16 4.374 -0.379 -3.623
89 HA CYS 16 HA CYS 16 3.043 -1.829 -1.441
90 HB2 CYS 16 2HB CYS 16 3.676 0.624 -1.041
91 HB3 CYS 16 1HB CYS 16 2.537 1.019 -2.317
92 H ASN 17 H ASN 17 1.014 -2.521 -1.832
93 HA ASN 17 HA ASN 17 -0.178 -1.864 -4.414
94 HB2 ASN 17 2HB ASN 17 0.784 -4.062 -4.781
95 HB3 ASN 17 1HB ASN 17 0.068 -4.670 -3.293
96 HD21 ASN 17 1HD2 ASN 17 -1.984 -5.497 -3.364
97 HD22 ASN 17 2HD2 ASN 17 -2.980 -5.450 -4.769
98 H ASP 18 H ASP 18 -2.160 -1.296 -4.321
99 HA ASP 18 HA ASP 18 -3.439 -1.061 -1.796
100 HB2 ASP 18 2HB ASP 18 -3.749 0.742 -3.282
101 HB3 ASP 18 1HB ASP 18 -4.266 -0.325 -4.584
102 H LEU 19 H LEU 19 -4.895 -2.271 -0.915
103 HA LEU 19 HA LEU 19 -6.159 -4.355 -2.520
104 HB2 LEU 19 2HB LEU 19 -5.795 -4.235 0.467
105 HB3 LEU 19 1HB LEU 19 -6.565 -5.521 -0.407
106 HG LEU 19 HG LEU 19 -3.639 -4.816 -0.605
107 HD11 LEU 19 1HD1 LEU 19 -3.294 -6.972 0.493
108 HD12 LEU 19 2HD1 LEU 19 -5.038 -7.162 0.660
109 HD13 LEU 19 3HD1 LEU 19 -4.207 -5.860 1.512
110 HD21 LEU 19 3HD2 LEU 19 -4.472 -5.653 -2.720
111 HD22 LEU 19 1HD2 LEU 19 -5.239 -7.018 -1.905
112 HD23 LEU 19 2HD2 LEU 19 -3.482 -6.875 -1.930
113 H LYS 20 H LYS 20 -8.393 -4.816 -1.715
114 HA LYS 20 HA LYS 20 -9.822 -2.364 -1.817
115 HB2 LYS 20 2HB LYS 20 -10.709 -5.234 -1.600
116 HB3 LYS 20 1HB LYS 20 -11.875 -3.940 -1.382
117 HG2 LYS 20 2HG LYS 20 -11.875 -4.808 -3.692
118 HG3 LYS 20 1HG LYS 20 -11.438 -3.105 -3.626
119 HD2 LYS 20 2HD LYS 20 -9.031 -3.805 -3.772
120 HD3 LYS 20 1HD LYS 20 -9.584 -5.460 -4.014
121 HE2 LYS 20 2HE LYS 20 -10.717 -4.823 -6.055
122 HE3 LYS 20 1HE LYS 20 -10.327 -3.128 -5.773
123 HZ1 LYS 20 3HZ LYS 20 -8.359 -5.291 -6.332
124 HZ2 LYS 20 1HZ LYS 20 -7.977 -3.693 -5.971
125 HZ3 LYS 20 2HZ LYS 20 -8.819 -4.041 -7.369
126 H ILE 21 H ILE 21 -9.096 -4.608 0.717
127 HA ILE 21 HA ILE 21 -9.892 -2.516 2.598
128 HB ILE 21 HB ILE 21 -9.591 -5.496 3.083
129 HG12 ILE 21 2HG1 ILE 21 -11.676 -5.014 1.926
130 HG13 ILE 21 1HG1 ILE 21 -11.994 -5.464 3.599
131 HG21 ILE 21 1HG2 ILE 21 -10.375 -5.050 5.357
132 HG22 ILE 21 2HG2 ILE 21 -10.345 -3.317 5.017
133 HG23 ILE 21 3HG2 ILE 21 -8.843 -4.244 5.010
134 HD11 ILE 21 3HD1 ILE 21 -12.044 -2.675 2.456
135 HD12 ILE 21 1HD1 ILE 21 -12.299 -3.093 4.152
136 HD13 ILE 21 2HD1 ILE 21 -13.436 -3.651 2.927
137 H GLY 22 H GLY 22 -8.198 -1.456 3.300
138 HA2 GLY 22 2HA GLY 22 -6.087 -1.001 4.033
139 HA3 GLY 22 1HA GLY 22 -5.812 -2.736 4.119
140 H TYR 23 H TYR 23 -3.817 -2.681 3.281
141 HA TYR 23 HA TYR 23 -3.563 -2.682 0.444
142 HB2 TYR 23 2HB TYR 23 -1.812 -0.953 0.326
143 HB3 TYR 23 1HB TYR 23 -3.308 -0.247 0.915
144 HD1 TYR 23 2HD TYR 23 -3.511 0.201 3.431
145 HD2 TYR 23 1HD TYR 23 0.177 -0.792 1.572
146 HE1 TYR 23 2HE TYR 23 -2.295 1.128 5.357
147 HE2 TYR 23 1HE TYR 23 1.397 0.125 3.488
148 HH TYR 23 HH TYR 23 1.067 1.696 5.252
149 H GLU 24 H GLU 24 -1.119 -3.230 -0.004
150 HA GLU 24 HA GLU 24 0.006 -4.647 2.294
151 HB2 GLU 24 2HB GLU 24 0.475 -6.599 0.939
152 HB3 GLU 24 1HB GLU 24 -1.246 -6.263 0.882
153 HG2 GLU 24 2HG GLU 24 -0.910 -5.180 -1.332
154 HG3 GLU 24 1HG GLU 24 0.783 -5.641 -1.250
155 H CYS 25 H CYS 25 2.261 -4.785 2.262
156 HA CYS 25 HA CYS 25 3.551 -3.253 0.139
157 HB2 CYS 25 2HB CYS 25 4.350 -3.496 3.039
158 HB3 CYS 25 1HB CYS 25 5.261 -2.627 1.809
159 H LEU 26 H LEU 26 4.888 -4.311 -1.025
160 HA LEU 26 HA LEU 26 5.494 -7.086 -0.372
161 HB2 LEU 26 2HB LEU 26 5.814 -5.550 -2.945
162 HB3 LEU 26 1HB LEU 26 5.982 -7.281 -2.747
163 HG LEU 26 HG LEU 26 3.404 -5.742 -2.365
164 HD11 LEU 26 1HD1 LEU 26 2.697 -6.805 -4.438
165 HD12 LEU 26 2HD1 LEU 26 4.303 -7.509 -4.628
166 HD13 LEU 26 3HD1 LEU 26 4.095 -5.760 -4.691
167 HD21 LEU 26 3HD2 LEU 26 3.973 -8.702 -2.398
168 HD22 LEU 26 1HD2 LEU 26 2.379 -7.951 -2.288
169 HD23 LEU 26 2HD2 LEU 26 3.546 -7.739 -0.983
170 HN1 NH2 27 1H LEU 26 7.218 -6.876 0.989
171 HN2 NH2 27 2H LEU 26 8.747 -6.205 0.537
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -10.437 5.773 -4.909
2 H2 GLY 1 2HT GLY 1 -11.528 6.684 -4.020
3 H3 GLY 1 3HT GLY 1 -12.081 5.753 -5.330
4 HA2 GLY 1 1HA GLY 1 -12.593 4.738 -3.202
5 HA3 GLY 1 2HA GLY 1 -11.470 3.752 -4.126
6 H THR 2 H THR 2 -11.064 2.987 -1.835
7 HA THR 2 HA THR 2 -9.536 4.804 -0.163
8 HB THR 2 HB THR 2 -10.186 1.878 0.260
9 HG1 THR 2 1HG THR 2 -11.671 4.233 0.802
10 HG21 THR 2 3HG2 THR 2 -9.947 2.459 2.649
11 HG22 THR 2 1HG2 THR 2 -9.541 4.114 2.197
12 HG23 THR 2 2HG2 THR 2 -8.463 2.791 1.757
13 H ASN 3 H ASN 3 -7.683 5.010 -1.636
14 HA ASN 3 HA ASN 3 -6.119 2.530 -1.872
15 HB2 ASN 3 2HB ASN 3 -6.719 3.607 -4.050
16 HB3 ASN 3 1HB ASN 3 -5.823 5.035 -3.555
17 HD21 ASN 3 1HD2 ASN 3 -5.434 3.227 -5.839
18 HD22 ASN 3 2HD2 ASN 3 -3.809 2.664 -5.707
19 H GLU 4 H GLU 4 -5.119 2.515 0.007
20 HA GLU 4 HA GLU 4 -3.984 4.713 1.294
21 HB2 GLU 4 2HB GLU 4 -3.377 1.768 1.665
22 HB3 GLU 4 1HB GLU 4 -2.975 3.048 2.790
23 HG2 GLU 4 2HG GLU 4 -4.852 2.109 3.769
24 HG3 GLU 4 1HG GLU 4 -5.546 3.452 2.878
25 H CYS 5 H CYS 5 -2.765 2.536 -1.149
26 HA CYS 5 HA CYS 5 -0.007 2.985 -0.616
27 HB2 CYS 5 2HB CYS 5 -1.400 1.873 -3.021
28 HB3 CYS 5 1HB CYS 5 0.342 2.031 -2.898
29 H LEU 6 H LEU 6 -2.329 4.682 -2.452
30 HA LEU 6 HA LEU 6 -0.461 6.182 -3.986
31 HB2 LEU 6 2HB LEU 6 -3.281 6.724 -3.206
32 HB3 LEU 6 1HB LEU 6 -2.347 7.859 -4.157
33 HG LEU 6 HG LEU 6 -3.173 5.045 -4.903
34 HD11 LEU 6 1HD1 LEU 6 -4.451 6.137 -6.670
35 HD12 LEU 6 2HD1 LEU 6 -3.957 7.712 -6.048
36 HD13 LEU 6 3HD1 LEU 6 -4.966 6.653 -5.064
37 HD21 LEU 6 3HD2 LEU 6 -0.963 5.437 -5.819
38 HD22 LEU 6 1HD2 LEU 6 -1.478 6.999 -6.462
39 HD23 LEU 6 2HD2 LEU 6 -2.161 5.507 -7.104
40 H ASP 7 H ASP 7 -1.628 6.492 -0.827
41 HA ASP 7 HA ASP 7 -0.447 9.137 -0.462
42 HB2 ASP 7 2HB ASP 7 -2.573 8.720 0.682
43 HB3 ASP 7 1HB ASP 7 -1.862 7.353 1.533
44 H ASN 8 H ASN 8 1.645 9.163 -0.303
45 HA ASN 8 HA ASN 8 3.789 8.791 0.354
46 HB2 ASN 8 2HB ASN 8 2.382 7.722 2.786
47 HB3 ASN 8 1HB ASN 8 4.133 7.835 2.630
48 HD21 ASN 8 1HD2 ASN 8 1.140 9.627 3.008
49 HD22 ASN 8 2HD2 ASN 8 1.903 11.135 3.358
50 H ASN 9 H ASN 9 2.421 6.732 -1.109
51 HA ASN 9 HA ASN 9 2.741 4.638 -1.989
52 HB2 ASN 9 2HB ASN 9 5.151 5.437 -2.111
53 HB3 ASN 9 1HB ASN 9 5.429 4.663 -0.556
54 HD21 ASN 9 1HD2 ASN 9 6.806 3.146 -1.155
55 HD22 ASN 9 2HD2 ASN 9 6.499 1.842 -2.232
56 H GLY 10 H GLY 10 1.361 4.934 0.442
57 HA2 GLY 10 2HA GLY 10 0.275 3.500 1.885
58 HA3 GLY 10 1HA GLY 10 1.316 2.200 1.322
59 H GLY 11 H GLY 11 3.148 4.834 2.159
60 HA2 GLY 11 2HA GLY 11 4.325 5.423 4.062
61 HA3 GLY 11 1HA GLY 11 3.449 4.186 4.968
62 H CYS 12 H CYS 12 4.389 2.773 2.195
63 HA CYS 12 HA CYS 12 6.523 1.393 3.560
64 HB2 CYS 12 2HB CYS 12 4.907 0.780 1.095
65 HB3 CYS 12 1HB CYS 12 6.159 -0.275 1.729
66 H SER 13 H SER 13 8.566 1.187 2.703
67 HA SER 13 HA SER 13 9.312 3.186 0.781
68 HB2 SER 13 2HB SER 13 11.608 2.337 1.439
69 HB3 SER 13 1HB SER 13 10.651 3.048 2.744
70 HG SER 13 HG SER 13 11.625 1.061 3.317
71 H HIS 14 H HIS 14 8.430 -0.066 0.858
72 HA HIS 14 HA HIS 14 9.861 -0.640 -1.620
73 HB2 HIS 14 2HB HIS 14 8.600 -2.545 0.362
74 HB3 HIS 14 1HB HIS 14 9.255 -3.043 -1.182
75 HD1 HIS 14 1HD HIS 14 11.794 -3.285 -1.379
76 HD2 HIS 14 2HD HIS 14 10.554 -1.750 2.283
77 HE1 HIS 14 1HE HIS 14 13.796 -3.370 0.102
78 HE2 HIS 14 2HE HIS 14 13.043 -2.399 2.298
79 H VAL 15 H VAL 15 8.263 -2.642 -2.658
80 HA VAL 15 HA VAL 15 6.360 -1.190 -4.099
81 HB VAL 15 HB VAL 15 6.449 -4.189 -3.692
82 HG11 VAL 15 1HG1 VAL 15 4.339 -3.475 -4.662
83 HG12 VAL 15 2HG1 VAL 15 5.309 -4.322 -5.867
84 HG13 VAL 15 3HG1 VAL 15 5.196 -2.562 -5.904
85 HG21 VAL 15 3HG2 VAL 15 7.774 -2.489 -5.797
86 HG22 VAL 15 1HG2 VAL 15 7.750 -4.250 -5.771
87 HG23 VAL 15 2HG2 VAL 15 8.583 -3.363 -4.497
88 H CYS 16 H CYS 16 4.453 -0.439 -3.426
89 HA CYS 16 HA CYS 16 3.068 -1.835 -1.268
90 HB2 CYS 16 2HB CYS 16 3.462 0.735 -1.198
91 HB3 CYS 16 1HB CYS 16 2.278 0.766 -2.507
92 H ASN 17 H ASN 17 1.517 -3.010 -1.751
93 HA ASN 17 HA ASN 17 0.286 -2.959 -4.418
94 HB2 ASN 17 2HB ASN 17 1.489 -5.031 -4.022
95 HB3 ASN 17 1HB ASN 17 0.688 -5.256 -2.479
96 HD21 ASN 17 1HD2 ASN 17 -0.115 -7.251 -3.064
97 HD22 ASN 17 2HD2 ASN 17 -1.360 -7.459 -4.234
98 H ASP 18 H ASP 18 -1.419 -1.821 -4.181
99 HA ASP 18 HA ASP 18 -2.848 -1.541 -1.764
100 HB2 ASP 18 2HB ASP 18 -2.848 0.361 -3.085
101 HB3 ASP 18 1HB ASP 18 -3.276 -0.526 -4.539
102 H LEU 19 H LEU 19 -4.027 -2.976 -0.941
103 HA LEU 19 HA LEU 19 -5.673 -4.849 -2.461
104 HB2 LEU 19 2HB LEU 19 -5.683 -4.330 0.514
105 HB3 LEU 19 1HB LEU 19 -6.191 -5.753 -0.314
106 HG LEU 19 HG LEU 19 -3.303 -4.911 -0.130
107 HD11 LEU 19 1HD1 LEU 19 -3.063 -6.776 1.403
108 HD12 LEU 19 2HD1 LEU 19 -4.797 -7.073 1.317
109 HD13 LEU 19 3HD1 LEU 19 -4.194 -5.575 2.029
110 HD21 LEU 19 3HD2 LEU 19 -3.786 -6.191 -2.144
111 HD22 LEU 19 1HD2 LEU 19 -4.577 -7.437 -1.177
112 HD23 LEU 19 2HD2 LEU 19 -2.846 -7.150 -1.001
113 H LYS 20 H LYS 20 -8.155 -4.778 -1.774
114 HA LYS 20 HA LYS 20 -9.075 -2.160 -2.276
115 HB2 LYS 20 2HB LYS 20 -10.494 -4.216 -2.662
116 HB3 LYS 20 1HB LYS 20 -10.701 -4.333 -0.919
117 HG2 LYS 20 2HG LYS 20 -11.765 -2.117 -0.896
118 HG3 LYS 20 1HG LYS 20 -11.586 -2.023 -2.643
119 HD2 LYS 20 2HD LYS 20 -13.849 -2.666 -2.114
120 HD3 LYS 20 1HD LYS 20 -13.023 -4.041 -2.847
121 HE2 LYS 20 2HE LYS 20 -12.705 -5.053 -0.675
122 HE3 LYS 20 1HE LYS 20 -13.375 -3.632 0.119
123 HZ1 LYS 20 3HZ LYS 20 -14.960 -5.438 -0.025
124 HZ2 LYS 20 1HZ LYS 20 -14.890 -5.446 -1.701
125 HZ3 LYS 20 2HZ LYS 20 -15.516 -4.113 -0.873
126 H ILE 21 H ILE 21 -9.060 -4.013 0.689
127 HA ILE 21 HA ILE 21 -9.214 -1.485 2.138
128 HB ILE 21 HB ILE 21 -11.182 -2.806 2.659
129 HG12 ILE 21 2HG1 ILE 21 -10.942 -3.125 5.130
130 HG13 ILE 21 1HG1 ILE 21 -9.209 -2.887 4.945
131 HG21 ILE 21 1HG2 ILE 21 -11.111 -5.031 3.681
132 HG22 ILE 21 2HG2 ILE 21 -9.371 -5.083 3.401
133 HG23 ILE 21 3HG2 ILE 21 -10.482 -5.007 2.033
134 HD11 ILE 21 3HD1 ILE 21 -9.604 -0.625 4.118
135 HD12 ILE 21 1HD1 ILE 21 -10.312 -0.864 5.713
136 HD13 ILE 21 2HD1 ILE 21 -11.343 -0.867 4.283
137 H GLY 22 H GLY 22 -7.359 -0.908 3.066
138 HA2 GLY 22 2HA GLY 22 -5.403 -1.219 4.210
139 HA3 GLY 22 1HA GLY 22 -5.621 -2.968 4.082
140 H TYR 23 H TYR 23 -3.371 -3.033 3.437
141 HA TYR 23 HA TYR 23 -3.093 -2.939 0.627
142 HB2 TYR 23 2HB TYR 23 -1.148 -1.360 0.648
143 HB3 TYR 23 1HB TYR 23 -2.660 -0.579 1.087
144 HD1 TYR 23 1HD TYR 23 -3.082 0.004 3.515
145 HD2 TYR 23 2HD TYR 23 0.687 -1.414 2.159
146 HE1 TYR 23 1HE TYR 23 -2.035 0.825 5.585
147 HE2 TYR 23 2HE TYR 23 1.736 -0.600 4.212
148 HH TYR 23 HH TYR 23 0.014 0.216 6.921
149 H GLU 24 H GLU 24 -0.898 -3.728 0.039
150 HA GLU 24 HA GLU 24 0.287 -5.475 2.080
151 HB2 GLU 24 2HB GLU 24 -0.967 -6.764 0.450
152 HB3 GLU 24 1HB GLU 24 -0.234 -5.896 -0.882
153 HG2 GLU 24 2HG GLU 24 0.822 -8.041 -0.769
154 HG3 GLU 24 1HG GLU 24 1.949 -6.846 -0.170
155 H CYS 25 H CYS 25 2.597 -5.472 2.013
156 HA CYS 25 HA CYS 25 3.777 -3.755 -0.014
157 HB2 CYS 25 2HB CYS 25 4.361 -3.545 2.941
158 HB3 CYS 25 1HB CYS 25 5.338 -2.785 1.685
159 H LEU 26 H LEU 26 5.343 -4.537 -0.998
160 HA LEU 26 HA LEU 26 6.584 -6.973 0.052
161 HB2 LEU 26 2HB LEU 26 6.156 -6.243 -2.861
162 HB3 LEU 26 1HB LEU 26 6.866 -7.718 -2.256
163 HG LEU 26 HG LEU 26 4.736 -8.331 -2.962
164 HD11 LEU 26 1HD1 LEU 26 4.514 -7.957 -0.018
165 HD12 LEU 26 2HD1 LEU 26 5.248 -9.312 -0.875
166 HD13 LEU 26 3HD1 LEU 26 3.513 -9.018 -1.012
167 HD21 LEU 26 3HD2 LEU 26 3.755 -6.132 -3.267
168 HD22 LEU 26 1HD2 LEU 26 3.584 -5.949 -1.522
169 HD23 LEU 26 2HD2 LEU 26 2.654 -7.183 -2.377
170 HN1 NH2 27 1H LEU 26 8.395 -6.157 0.889
171 HN2 NH2 27 2H LEU 26 9.567 -5.219 0.035
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -11.766 4.806 -4.697
2 H2 GLY 1 2HT GLY 1 -12.859 3.559 -4.924
3 H3 GLY 1 3HT GLY 1 -11.216 3.220 -4.669
4 HA2 GLY 1 1HA GLY 1 -13.045 4.438 -2.695
5 HA3 GLY 1 2HA GLY 1 -12.425 2.789 -2.665
6 H THR 2 H THR 2 -11.149 2.842 -0.872
7 HA THR 2 HA THR 2 -9.341 5.059 -0.529
8 HB THR 2 HB THR 2 -10.455 4.362 1.487
9 HG1 THR 2 1HG THR 2 -7.954 3.219 2.008
10 HG21 THR 2 3HG2 THR 2 -10.149 2.113 2.493
11 HG22 THR 2 1HG2 THR 2 -9.301 1.602 1.036
12 HG23 THR 2 2HG2 THR 2 -11.009 2.043 0.958
13 H ASN 3 H ASN 3 -7.577 5.037 -1.721
14 HA ASN 3 HA ASN 3 -6.063 2.539 -1.991
15 HB2 ASN 3 2HB ASN 3 -6.698 3.657 -4.133
16 HB3 ASN 3 1HB ASN 3 -5.844 5.098 -3.609
17 HD21 ASN 3 1HD2 ASN 3 -5.418 3.464 -5.971
18 HD22 ASN 3 2HD2 ASN 3 -3.779 2.914 -5.873
19 H GLU 4 H GLU 4 -4.817 2.442 -0.323
20 HA GLU 4 HA GLU 4 -3.853 4.631 1.154
21 HB2 GLU 4 2HB GLU 4 -3.095 1.715 1.169
22 HB3 GLU 4 1HB GLU 4 -2.558 2.879 2.358
23 HG2 GLU 4 2HG GLU 4 -4.352 1.587 3.294
24 HG3 GLU 4 1HG GLU 4 -4.918 3.224 3.030
25 H CYS 5 H CYS 5 -2.554 2.674 -1.409
26 HA CYS 5 HA CYS 5 0.184 3.274 -1.032
27 HB2 CYS 5 2HB CYS 5 -1.318 2.319 -3.437
28 HB3 CYS 5 1HB CYS 5 0.432 2.418 -3.327
29 H LEU 6 H LEU 6 -2.368 4.886 -2.560
30 HA LEU 6 HA LEU 6 -1.002 6.690 -4.233
31 HB2 LEU 6 2HB LEU 6 -3.541 6.967 -2.706
32 HB3 LEU 6 1HB LEU 6 -2.893 8.306 -3.619
33 HG LEU 6 HG LEU 6 -3.798 5.631 -4.708
34 HD11 LEU 6 1HD1 LEU 6 -4.959 8.402 -4.998
35 HD12 LEU 6 2HD1 LEU 6 -5.606 7.131 -3.969
36 HD13 LEU 6 3HD1 LEU 6 -5.591 6.923 -5.724
37 HD21 LEU 6 3HD2 LEU 6 -3.453 6.661 -6.918
38 HD22 LEU 6 1HD2 LEU 6 -1.941 6.502 -6.026
39 HD23 LEU 6 2HD2 LEU 6 -2.736 8.068 -6.136
40 H ASP 7 H ASP 7 -1.306 6.660 -0.790
41 HA ASP 7 HA ASP 7 -0.042 9.310 -0.746
42 HB2 ASP 7 2HB ASP 7 -2.229 9.176 0.406
43 HB3 ASP 7 1HB ASP 7 -1.537 7.996 1.512
44 H ASN 8 H ASN 8 2.028 9.232 -0.478
45 HA ASN 8 HA ASN 8 4.105 8.798 0.306
46 HB2 ASN 8 2HB ASN 8 2.526 7.938 2.715
47 HB3 ASN 8 1HB ASN 8 4.282 7.818 2.632
48 HD21 ASN 8 1HD2 ASN 8 1.541 10.018 2.753
49 HD22 ASN 8 2HD2 ASN 8 2.473 11.407 3.130
50 H ASN 9 H ASN 9 2.690 6.861 -1.187
51 HA ASN 9 HA ASN 9 2.921 4.757 -2.084
52 HB2 ASN 9 2HB ASN 9 5.367 5.483 -2.061
53 HB3 ASN 9 1HB ASN 9 5.523 4.637 -0.530
54 HD21 ASN 9 1HD2 ASN 9 7.045 3.266 -1.342
55 HD22 ASN 9 2HD2 ASN 9 6.666 1.969 -2.418
56 H GLY 10 H GLY 10 1.530 5.147 0.364
57 HA2 GLY 10 2HA GLY 10 0.304 3.806 1.758
58 HA3 GLY 10 1HA GLY 10 1.193 2.419 1.147
59 H GLY 11 H GLY 11 3.448 4.632 2.084
60 HA2 GLY 11 2HA GLY 11 4.601 4.949 4.082
61 HA3 GLY 11 1HA GLY 11 3.506 3.815 4.874
62 H CYS 12 H CYS 12 4.351 2.452 2.012
63 HA CYS 12 HA CYS 12 6.171 0.608 3.303
64 HB2 CYS 12 2HB CYS 12 5.092 0.636 0.465
65 HB3 CYS 12 1HB CYS 12 5.910 -0.705 1.249
66 H SER 13 H SER 13 8.353 0.659 2.967
67 HA SER 13 HA SER 13 9.397 2.750 1.275
68 HB2 SER 13 2HB SER 13 10.852 0.693 2.942
69 HB3 SER 13 1HB SER 13 11.552 2.154 2.238
70 HG SER 13 HG SER 13 9.884 1.844 4.442
71 H HIS 14 H HIS 14 8.646 -0.525 1.134
72 HA HIS 14 HA HIS 14 10.191 -0.945 -1.305
73 HB2 HIS 14 2HB HIS 14 8.525 -2.847 0.377
74 HB3 HIS 14 1HB HIS 14 9.184 -3.295 -1.181
75 HD1 HIS 14 1HD HIS 14 9.936 -3.562 2.320
76 HD2 HIS 14 2HD HIS 14 12.182 -3.025 -1.136
77 HE1 HIS 14 1HE HIS 14 12.248 -4.280 2.900
78 HE2 HIS 14 2HE HIS 14 13.619 -3.746 0.894
79 H VAL 15 H VAL 15 8.330 -2.586 -2.700
80 HA VAL 15 HA VAL 15 6.652 -0.601 -3.819
81 HB VAL 15 HB VAL 15 6.637 -3.631 -4.169
82 HG11 VAL 15 1HG1 VAL 15 4.440 -2.705 -4.788
83 HG12 VAL 15 2HG1 VAL 15 5.320 -3.280 -6.203
84 HG13 VAL 15 3HG1 VAL 15 5.233 -1.552 -5.863
85 HG21 VAL 15 3HG2 VAL 15 7.743 -1.441 -5.917
86 HG22 VAL 15 1HG2 VAL 15 7.777 -3.165 -6.277
87 HG23 VAL 15 2HG2 VAL 15 8.688 -2.528 -4.904
88 H CYS 16 H CYS 16 4.418 -0.319 -3.646
89 HA CYS 16 HA CYS 16 3.207 -1.499 -1.249
90 HB2 CYS 16 2HB CYS 16 3.396 1.048 -1.432
91 HB3 CYS 16 1HB CYS 16 2.312 0.885 -2.819
92 H ASN 17 H ASN 17 1.432 -2.682 -1.497
93 HA ASN 17 HA ASN 17 0.301 -2.930 -4.199
94 HB2 ASN 17 2HB ASN 17 1.516 -4.973 -3.496
95 HB3 ASN 17 1HB ASN 17 0.483 -5.077 -2.075
96 HD21 ASN 17 1HD2 ASN 17 -0.272 -7.109 -2.700
97 HD22 ASN 17 2HD2 ASN 17 -1.380 -7.316 -4.000
98 H ASP 18 H ASP 18 -1.538 -1.953 -4.225
99 HA ASP 18 HA ASP 18 -2.998 -1.489 -1.805
100 HB2 ASP 18 2HB ASP 18 -2.876 0.409 -3.169
101 HB3 ASP 18 1HB ASP 18 -3.295 -0.482 -4.619
102 H LEU 19 H LEU 19 -4.066 -3.090 -1.068
103 HA LEU 19 HA LEU 19 -5.753 -4.821 -2.686
104 HB2 LEU 19 2HB LEU 19 -5.748 -4.489 0.326
105 HB3 LEU 19 1HB LEU 19 -6.321 -5.845 -0.591
106 HG LEU 19 HG LEU 19 -3.408 -5.098 -0.349
107 HD11 LEU 19 1HD1 LEU 19 -4.976 -7.324 0.929
108 HD12 LEU 19 2HD1 LEU 19 -4.301 -5.913 1.748
109 HD13 LEU 19 3HD1 LEU 19 -3.228 -7.108 1.019
110 HD21 LEU 19 3HD2 LEU 19 -4.733 -7.505 -1.597
111 HD22 LEU 19 1HD2 LEU 19 -2.997 -7.255 -1.418
112 HD23 LEU 19 2HD2 LEU 19 -3.933 -6.198 -2.474
113 H LYS 20 H LYS 20 -8.215 -4.838 -1.881
114 HA LYS 20 HA LYS 20 -9.278 -2.284 -2.391
115 HB2 LYS 20 2HB LYS 20 -10.605 -4.319 -2.697
116 HB3 LYS 20 1HB LYS 20 -10.538 -4.625 -0.968
117 HG2 LYS 20 2HG LYS 20 -11.843 -2.557 -0.578
118 HG3 LYS 20 1HG LYS 20 -11.959 -2.328 -2.321
119 HD2 LYS 20 2HD LYS 20 -13.992 -3.360 -1.496
120 HD3 LYS 20 1HD LYS 20 -13.112 -4.507 -2.500
121 HE2 LYS 20 2HE LYS 20 -12.172 -5.527 -0.416
122 HE3 LYS 20 1HE LYS 20 -13.182 -4.431 0.521
123 HZ1 LYS 20 3HZ LYS 20 -14.130 -6.661 0.244
124 HZ2 LYS 20 1HZ LYS 20 -14.142 -6.451 -1.409
125 HZ3 LYS 20 2HZ LYS 20 -15.147 -5.510 -0.450
126 H ILE 21 H ILE 21 -9.088 -4.047 0.641
127 HA ILE 21 HA ILE 21 -9.223 -1.478 1.953
128 HB ILE 21 HB ILE 21 -10.007 -2.732 4.044
129 HG12 ILE 21 2HG1 ILE 21 -11.427 -4.805 3.526
130 HG13 ILE 21 1HG1 ILE 21 -10.547 -4.920 2.014
131 HG21 ILE 21 1HG2 ILE 21 -11.850 -2.554 1.689
132 HG22 ILE 21 2HG2 ILE 21 -11.464 -1.279 2.845
133 HG23 ILE 21 3HG2 ILE 21 -12.363 -2.704 3.368
134 HD11 ILE 21 3HD1 ILE 21 -8.469 -5.205 3.280
135 HD12 ILE 21 1HD1 ILE 21 -9.659 -6.445 3.674
136 HD13 ILE 21 2HD1 ILE 21 -9.387 -5.096 4.779
137 H GLY 22 H GLY 22 -7.703 -0.896 3.297
138 HA2 GLY 22 2HA GLY 22 -5.546 -0.824 3.996
139 HA3 GLY 22 1HA GLY 22 -5.645 -2.568 4.213
140 H TYR 23 H TYR 23 -3.616 -3.003 3.391
141 HA TYR 23 HA TYR 23 -3.224 -3.220 0.612
142 HB2 TYR 23 2HB TYR 23 -1.412 -1.552 0.367
143 HB3 TYR 23 1HB TYR 23 -2.905 -0.739 0.833
144 HD1 TYR 23 1HD TYR 23 -3.213 -0.179 3.315
145 HD2 TYR 23 2HD TYR 23 0.530 -1.275 1.654
146 HE1 TYR 23 1HE TYR 23 -2.089 0.773 5.262
147 HE2 TYR 23 2HE TYR 23 1.666 -0.330 3.586
148 HH TYR 23 HH TYR 23 -0.043 0.570 6.429
149 H GLU 24 H GLU 24 -0.727 -3.779 0.354
150 HA GLU 24 HA GLU 24 0.445 -4.723 2.832
151 HB2 GLU 24 2HB GLU 24 1.017 -6.899 1.810
152 HB3 GLU 24 1HB GLU 24 -0.718 -6.683 1.936
153 HG2 GLU 24 2HG GLU 24 -0.764 -6.078 -0.467
154 HG3 GLU 24 1HG GLU 24 0.968 -6.397 -0.527
155 H CYS 25 H CYS 25 2.740 -4.960 2.657
156 HA CYS 25 HA CYS 25 3.790 -3.221 0.549
157 HB2 CYS 25 2HB CYS 25 5.100 -4.089 3.143
158 HB3 CYS 25 1HB CYS 25 5.753 -2.942 1.982
159 H LEU 26 H LEU 26 5.111 -4.006 -0.965
160 HA LEU 26 HA LEU 26 5.840 -6.839 -0.793
161 HB2 LEU 26 2HB LEU 26 5.459 -5.067 -3.205
162 HB3 LEU 26 1HB LEU 26 5.985 -6.734 -3.271
163 HG LEU 26 HG LEU 26 3.279 -5.764 -2.338
164 HD11 LEU 26 1HD1 LEU 26 4.137 -7.227 -4.829
165 HD12 LEU 26 2HD1 LEU 26 3.599 -5.550 -4.738
166 HD13 LEU 26 3HD1 LEU 26 2.474 -6.860 -4.373
167 HD21 LEU 26 3HD2 LEU 26 4.360 -8.568 -2.662
168 HD22 LEU 26 1HD2 LEU 26 2.686 -8.146 -2.300
169 HD23 LEU 26 2HD2 LEU 26 3.954 -7.776 -1.137
170 HN1 NH2 27 1H LEU 26 7.792 -6.737 0.138
171 HN2 NH2 27 2H LEU 26 9.168 -5.918 -0.512
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -11.638 0.882 -5.242
2 H2 GLY 1 2HT GLY 1 -10.003 0.976 -4.834
3 H3 GLY 1 3HT GLY 1 -10.727 2.287 -5.562
4 HA2 GLY 1 1HA GLY 1 -12.114 2.577 -3.596
5 HA3 GLY 1 2HA GLY 1 -11.252 1.210 -2.880
6 H THR 2 H THR 2 -10.887 3.123 -1.308
7 HA THR 2 HA THR 2 -9.130 5.136 -2.030
8 HB THR 2 HB THR 2 -10.525 5.241 0.011
9 HG1 THR 2 1HG THR 2 -9.170 6.638 0.653
10 HG21 THR 2 3HG2 THR 2 -8.608 3.214 1.171
11 HG22 THR 2 1HG2 THR 2 -10.313 2.940 0.811
12 HG23 THR 2 2HG2 THR 2 -9.848 4.077 2.079
13 H ASN 3 H ASN 3 -7.052 5.212 -2.379
14 HA ASN 3 HA ASN 3 -5.600 2.657 -2.358
15 HB2 ASN 3 2HB ASN 3 -6.176 3.874 -4.502
16 HB3 ASN 3 1HB ASN 3 -5.060 5.127 -4.001
17 HD21 ASN 3 1HD2 ASN 3 -2.823 4.720 -4.169
18 HD22 ASN 3 2HD2 ASN 3 -2.256 3.329 -5.028
19 H GLU 4 H GLU 4 -4.637 2.726 -0.360
20 HA GLU 4 HA GLU 4 -3.534 4.865 1.019
21 HB2 GLU 4 2HB GLU 4 -2.770 1.955 1.055
22 HB3 GLU 4 1HB GLU 4 -2.120 3.128 2.178
23 HG2 GLU 4 2HG GLU 4 -3.907 1.829 3.188
24 HG3 GLU 4 1HG GLU 4 -4.339 3.526 3.076
25 H CYS 5 H CYS 5 -2.171 2.937 -1.475
26 HA CYS 5 HA CYS 5 0.542 3.486 -1.228
27 HB2 CYS 5 2HB CYS 5 -1.074 3.035 -3.693
28 HB3 CYS 5 1HB CYS 5 0.655 2.787 -3.519
29 H LEU 6 H LEU 6 -2.028 5.349 -2.510
30 HA LEU 6 HA LEU 6 -0.593 7.270 -4.063
31 HB2 LEU 6 2HB LEU 6 -3.246 7.340 -2.695
32 HB3 LEU 6 1HB LEU 6 -2.604 8.768 -3.473
33 HG LEU 6 HG LEU 6 -3.259 6.131 -4.829
34 HD11 LEU 6 1HD1 LEU 6 -4.683 8.774 -4.893
35 HD12 LEU 6 2HD1 LEU 6 -5.229 7.330 -4.046
36 HD13 LEU 6 3HD1 LEU 6 -5.110 7.327 -5.806
37 HD21 LEU 6 3HD2 LEU 6 -2.424 8.785 -5.978
38 HD22 LEU 6 1HD2 LEU 6 -2.916 7.366 -6.898
39 HD23 LEU 6 2HD2 LEU 6 -1.435 7.326 -5.945
40 H ASP 7 H ASP 7 -1.126 6.882 -0.727
41 HA ASP 7 HA ASP 7 -0.066 9.547 -0.126
42 HB2 ASP 7 2HB ASP 7 -2.125 8.844 1.047
43 HB3 ASP 7 1HB ASP 7 -1.244 7.478 1.723
44 H ASN 8 H ASN 8 2.064 9.278 -0.537
45 HA ASN 8 HA ASN 8 4.255 8.885 -0.077
46 HB2 ASN 8 2HB ASN 8 3.350 9.691 2.045
47 HB3 ASN 8 1HB ASN 8 3.277 8.040 2.642
48 HD21 ASN 8 1HD2 ASN 8 5.806 9.571 0.665
49 HD22 ASN 8 2HD2 ASN 8 7.077 9.345 1.790
50 H ASN 9 H ASN 9 2.852 6.890 -1.199
51 HA ASN 9 HA ASN 9 3.085 4.711 -2.007
52 HB2 ASN 9 2HB ASN 9 5.525 5.374 -2.073
53 HB3 ASN 9 1HB ASN 9 5.703 4.717 -0.460
54 HD21 ASN 9 1HD2 ASN 9 7.193 3.211 -1.031
55 HD22 ASN 9 2HD2 ASN 9 6.829 1.808 -1.956
56 H GLY 10 H GLY 10 1.781 5.272 0.582
57 HA2 GLY 10 2HA GLY 10 0.531 3.940 1.972
58 HA3 GLY 10 1HA GLY 10 1.359 2.537 1.325
59 H GLY 11 H GLY 11 3.676 4.710 2.240
60 HA2 GLY 11 2HA GLY 11 5.074 4.829 4.062
61 HA3 GLY 11 1HA GLY 11 3.835 4.016 5.021
62 H CYS 12 H CYS 12 4.817 2.659 2.031
63 HA CYS 12 HA CYS 12 5.990 0.369 3.379
64 HB2 CYS 12 2HB CYS 12 5.244 0.851 0.486
65 HB3 CYS 12 1HB CYS 12 5.769 -0.684 1.165
66 H SER 13 H SER 13 8.074 -0.283 2.990
67 HA SER 13 HA SER 13 9.958 1.717 2.214
68 HB2 SER 13 2HB SER 13 10.316 0.099 4.105
69 HB3 SER 13 1HB SER 13 10.382 -1.207 2.929
70 HG SER 13 HG SER 13 12.205 0.791 3.520
71 H HIS 14 H HIS 14 8.402 -1.013 0.784
72 HA HIS 14 HA HIS 14 9.882 -0.555 -1.681
73 HB2 HIS 14 2HB HIS 14 8.824 -3.166 -0.575
74 HB3 HIS 14 1HB HIS 14 9.219 -2.965 -2.265
75 HD1 HIS 14 1HD HIS 14 11.624 -3.267 -2.925
76 HD2 HIS 14 2HD HIS 14 11.109 -2.905 1.173
77 HE1 HIS 14 1HE HIS 14 13.850 -3.765 -1.936
78 HE2 HIS 14 2HE HIS 14 13.583 -3.136 0.465
79 H VAL 15 H VAL 15 8.145 -2.037 -3.377
80 HA VAL 15 HA VAL 15 6.255 -0.082 -3.992
81 HB VAL 15 HB VAL 15 6.275 -3.003 -4.846
82 HG11 VAL 15 1HG1 VAL 15 4.885 -2.302 -6.740
83 HG12 VAL 15 2HG1 VAL 15 4.792 -0.674 -6.071
84 HG13 VAL 15 3HG1 VAL 15 4.062 -2.025 -5.204
85 HG21 VAL 15 3HG2 VAL 15 8.292 -1.803 -5.490
86 HG22 VAL 15 1HG2 VAL 15 7.317 -0.533 -6.225
87 HG23 VAL 15 2HG2 VAL 15 7.303 -2.161 -6.903
88 H CYS 16 H CYS 16 4.257 0.336 -3.376
89 HA CYS 16 HA CYS 16 2.987 -1.299 -1.355
90 HB2 CYS 16 2HB CYS 16 3.009 1.145 -1.080
91 HB3 CYS 16 1HB CYS 16 2.225 1.310 -2.644
92 H ASN 17 H ASN 17 1.035 -2.253 -1.636
93 HA ASN 17 HA ASN 17 -0.063 -2.473 -4.357
94 HB2 ASN 17 2HB ASN 17 1.164 -4.537 -3.801
95 HB3 ASN 17 1HB ASN 17 0.279 -4.693 -2.297
96 HD21 ASN 17 1HD2 ASN 17 -0.531 -6.733 -2.859
97 HD22 ASN 17 2HD2 ASN 17 -1.730 -6.945 -4.072
98 H ASP 18 H ASP 18 -2.161 -1.884 -4.375
99 HA ASP 18 HA ASP 18 -3.397 -1.231 -1.859
100 HB2 ASP 18 2HB ASP 18 -3.737 0.416 -3.503
101 HB3 ASP 18 1HB ASP 18 -4.246 -0.757 -4.706
102 H LEU 19 H LEU 19 -4.801 -2.319 -0.806
103 HA LEU 19 HA LEU 19 -6.157 -4.588 -2.102
104 HB2 LEU 19 2HB LEU 19 -5.782 -4.083 0.847
105 HB3 LEU 19 1HB LEU 19 -6.417 -5.519 0.115
106 HG LEU 19 HG LEU 19 -3.537 -4.622 0.002
107 HD11 LEU 19 1HD1 LEU 19 -3.137 -6.636 1.329
108 HD12 LEU 19 2HD1 LEU 19 -4.876 -6.921 1.402
109 HD13 LEU 19 3HD1 LEU 19 -4.186 -5.486 2.157
110 HD21 LEU 19 3HD2 LEU 19 -3.101 -6.756 -1.111
111 HD22 LEU 19 1HD2 LEU 19 -4.175 -5.744 -2.077
112 HD23 LEU 19 2HD2 LEU 19 -4.831 -7.093 -1.147
113 H LYS 20 H LYS 20 -8.370 -4.837 -1.298
114 HA LYS 20 HA LYS 20 -9.718 -2.295 -1.237
115 HB2 LYS 20 2HB LYS 20 -10.637 -4.257 -2.486
116 HB3 LYS 20 1HB LYS 20 -10.909 -5.069 -0.949
117 HG2 LYS 20 2HG LYS 20 -12.451 -3.317 -0.279
118 HG3 LYS 20 1HG LYS 20 -12.169 -2.475 -1.800
119 HD2 LYS 20 2HD LYS 20 -13.085 -4.415 -3.007
120 HD3 LYS 20 1HD LYS 20 -13.400 -5.209 -1.461
121 HE2 LYS 20 2HE LYS 20 -14.573 -2.577 -2.364
122 HE3 LYS 20 1HE LYS 20 -15.415 -4.119 -2.353
123 HZ1 LYS 20 3HZ LYS 20 -14.344 -2.736 0.053
124 HZ2 LYS 20 1HZ LYS 20 -15.213 -4.182 0.054
125 HZ3 LYS 20 2HZ LYS 20 -15.946 -2.732 -0.427
126 H ILE 21 H ILE 21 -8.613 -4.579 0.989
127 HA ILE 21 HA ILE 21 -10.058 -3.237 3.133
128 HB ILE 21 HB ILE 21 -9.600 -5.385 4.485
129 HG12 ILE 21 2HG1 ILE 21 -9.575 -7.461 3.051
130 HG13 ILE 21 1HG1 ILE 21 -9.200 -6.455 1.670
131 HG21 ILE 21 1HG2 ILE 21 -11.628 -6.443 3.579
132 HG22 ILE 21 2HG2 ILE 21 -11.534 -5.367 2.184
133 HG23 ILE 21 3HG2 ILE 21 -11.804 -4.701 3.794
134 HD11 ILE 21 3HD1 ILE 21 -7.219 -7.577 2.503
135 HD12 ILE 21 1HD1 ILE 21 -7.468 -6.876 4.103
136 HD13 ILE 21 2HD1 ILE 21 -7.073 -5.835 2.737
137 H GLY 22 H GLY 22 -7.987 -2.204 2.180
138 HA2 GLY 22 2HA GLY 22 -6.423 -0.991 3.865
139 HA3 GLY 22 1HA GLY 22 -5.839 -2.623 4.159
140 H TYR 23 H TYR 23 -3.874 -2.629 3.429
141 HA TYR 23 HA TYR 23 -3.471 -2.542 0.597
142 HB2 TYR 23 2HB TYR 23 -1.760 -0.831 0.547
143 HB3 TYR 23 1HB TYR 23 -3.202 -0.139 1.271
144 HD1 TYR 23 1HD TYR 23 -3.251 0.023 3.865
145 HD2 TYR 23 2HD TYR 23 0.282 -0.720 1.625
146 HE1 TYR 23 1HE TYR 23 -1.885 0.779 5.768
147 HE2 TYR 23 2HE TYR 23 1.640 0.020 3.512
148 HH TYR 23 HH TYR 23 1.437 1.424 5.437
149 H GLU 24 H GLU 24 -0.958 -2.910 0.264
150 HA GLU 24 HA GLU 24 0.122 -4.633 2.354
151 HB2 GLU 24 2HB GLU 24 -1.126 -6.064 0.813
152 HB3 GLU 24 1HB GLU 24 -0.286 -5.369 -0.557
153 HG2 GLU 24 2HG GLU 24 0.668 -7.496 -0.096
154 HG3 GLU 24 1HG GLU 24 1.824 -6.258 0.366
155 H CYS 25 H CYS 25 2.387 -4.647 2.315
156 HA CYS 25 HA CYS 25 3.646 -2.838 0.382
157 HB2 CYS 25 2HB CYS 25 4.685 -3.767 3.071
158 HB3 CYS 25 1HB CYS 25 5.452 -2.610 2.001
159 H LEU 26 H LEU 26 4.786 -3.844 -1.131
160 HA LEU 26 HA LEU 26 5.243 -6.705 -0.860
161 HB2 LEU 26 2HB LEU 26 5.681 -4.872 -3.215
162 HB3 LEU 26 1HB LEU 26 5.755 -6.621 -3.242
163 HG LEU 26 HG LEU 26 3.275 -4.982 -2.715
164 HD11 LEU 26 1HD1 LEU 26 4.013 -4.821 -5.015
165 HD12 LEU 26 2HD1 LEU 26 2.561 -5.822 -4.905
166 HD13 LEU 26 3HD1 LEU 26 4.141 -6.576 -5.116
167 HD21 LEU 26 3HD2 LEU 26 3.631 -7.959 -3.038
168 HD22 LEU 26 1HD2 LEU 26 2.093 -7.112 -2.878
169 HD23 LEU 26 2HD2 LEU 26 3.238 -7.120 -1.536
170 HN1 NH2 27 1H LEU 26 6.879 -6.441 0.700
171 HN2 NH2 27 2H LEU 26 8.499 -6.037 0.249
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -11.237 3.012 -5.063
2 H2 GLY 1 2HT GLY 1 -11.867 4.555 -4.967
3 H3 GLY 1 3HT GLY 1 -12.925 3.217 -5.055
4 HA2 GLY 1 1HA GLY 1 -12.841 4.044 -2.831
5 HA3 GLY 1 2HA GLY 1 -12.082 2.463 -2.924
6 H THR 2 H THR 2 -10.938 3.053 -1.004
7 HA THR 2 HA THR 2 -9.151 5.301 -1.155
8 HB THR 2 HB THR 2 -10.228 5.130 0.931
9 HG1 THR 2 1HG THR 2 -7.715 3.993 1.551
10 HG21 THR 2 3HG2 THR 2 -10.136 3.129 2.383
11 HG22 THR 2 1HG2 THR 2 -9.267 2.279 1.107
12 HG23 THR 2 2HG2 THR 2 -10.933 2.793 0.847
13 H ASN 3 H ASN 3 -7.331 5.162 -2.131
14 HA ASN 3 HA ASN 3 -5.821 2.652 -2.179
15 HB2 ASN 3 2HB ASN 3 -6.332 3.739 -4.370
16 HB3 ASN 3 1HB ASN 3 -5.489 5.180 -3.828
17 HD21 ASN 3 1HD2 ASN 3 -4.947 3.588 -6.136
18 HD22 ASN 3 2HD2 ASN 3 -3.329 3.004 -5.990
19 H GLU 4 H GLU 4 -4.691 2.626 -0.333
20 HA GLU 4 HA GLU 4 -3.679 4.907 0.995
21 HB2 GLU 4 2HB GLU 4 -2.993 1.982 1.317
22 HB3 GLU 4 1HB GLU 4 -2.402 3.249 2.370
23 HG2 GLU 4 2HG GLU 4 -4.237 2.072 3.414
24 HG3 GLU 4 1HG GLU 4 -4.707 3.730 3.071
25 H CYS 5 H CYS 5 -2.427 2.853 -1.471
26 HA CYS 5 HA CYS 5 0.328 3.310 -1.033
27 HB2 CYS 5 2HB CYS 5 -1.149 2.453 -3.498
28 HB3 CYS 5 1HB CYS 5 0.598 2.415 -3.307
29 H LEU 6 H LEU 6 -2.107 5.010 -2.720
30 HA LEU 6 HA LEU 6 -0.475 6.770 -4.213
31 HB2 LEU 6 2HB LEU 6 -3.211 7.107 -3.072
32 HB3 LEU 6 1HB LEU 6 -2.424 8.367 -3.987
33 HG LEU 6 HG LEU 6 -3.239 5.618 -4.971
34 HD11 LEU 6 1HD1 LEU 6 -5.101 7.159 -4.697
35 HD12 LEU 6 2HD1 LEU 6 -4.787 6.843 -6.404
36 HD13 LEU 6 3HD1 LEU 6 -4.261 8.362 -5.677
37 HD21 LEU 6 3HD2 LEU 6 -1.174 6.273 -6.087
38 HD22 LEU 6 1HD2 LEU 6 -1.863 7.854 -6.468
39 HD23 LEU 6 2HD2 LEU 6 -2.532 6.400 -7.199
40 H ASP 7 H ASP 7 -1.318 6.719 -0.892
41 HA ASP 7 HA ASP 7 -0.077 9.352 -0.511
42 HB2 ASP 7 2HB ASP 7 -2.319 9.193 0.447
43 HB3 ASP 7 1HB ASP 7 -1.821 7.809 1.415
44 H ASN 8 H ASN 8 1.965 9.310 -0.055
45 HA ASN 8 HA ASN 8 3.988 8.903 0.905
46 HB2 ASN 8 2HB ASN 8 2.516 9.145 2.923
47 HB3 ASN 8 1HB ASN 8 2.468 7.398 3.053
48 HD21 ASN 8 1HD2 ASN 8 4.439 10.232 3.445
49 HD22 ASN 8 2HD2 ASN 8 5.753 9.468 4.263
50 H ASN 9 H ASN 9 2.686 7.109 -0.839
51 HA ASN 9 HA ASN 9 2.871 5.081 -1.932
52 HB2 ASN 9 2HB ASN 9 5.328 5.863 -1.977
53 HB3 ASN 9 1HB ASN 9 5.582 4.832 -0.572
54 HD21 ASN 9 1HD2 ASN 9 5.885 2.679 -0.876
55 HD22 ASN 9 2HD2 ASN 9 5.921 1.870 -2.390
56 H GLY 10 H GLY 10 1.537 5.180 0.499
57 HA2 GLY 10 2HA GLY 10 0.324 3.643 1.694
58 HA3 GLY 10 1HA GLY 10 1.379 2.372 1.097
59 H GLY 11 H GLY 11 3.548 4.466 2.126
60 HA2 GLY 11 2HA GLY 11 4.620 4.754 4.188
61 HA3 GLY 11 1HA GLY 11 3.504 3.588 4.908
62 H CYS 12 H CYS 12 4.474 2.547 1.926
63 HA CYS 12 HA CYS 12 6.205 0.533 3.112
64 HB2 CYS 12 2HB CYS 12 5.028 0.711 0.328
65 HB3 CYS 12 1HB CYS 12 5.803 -0.692 1.040
66 H SER 13 H SER 13 8.370 0.739 2.847
67 HA SER 13 HA SER 13 9.553 2.802 1.287
68 HB2 SER 13 2HB SER 13 10.896 0.348 2.404
69 HB3 SER 13 1HB SER 13 11.586 1.954 2.150
70 HG SER 13 HG SER 13 10.358 2.739 3.823
71 H HIS 14 H HIS 14 8.435 -0.319 0.669
72 HA HIS 14 HA HIS 14 9.970 -0.585 -1.817
73 HB2 HIS 14 2HB HIS 14 8.657 -2.757 -0.144
74 HB3 HIS 14 1HB HIS 14 9.481 -3.030 -1.661
75 HD1 HIS 14 1HD HIS 14 12.034 -3.219 -1.586
76 HD2 HIS 14 2HD HIS 14 10.368 -2.124 2.050
77 HE1 HIS 14 1HE HIS 14 13.892 -3.368 0.074
78 HE2 HIS 14 2HE HIS 14 12.917 -2.281 2.123
79 H VAL 15 H VAL 15 8.282 -2.447 -3.071
80 HA VAL 15 HA VAL 15 6.322 -0.781 -4.181
81 HB VAL 15 HB VAL 15 6.459 -3.818 -4.225
82 HG11 VAL 15 1HG1 VAL 15 4.214 -3.042 -4.820
83 HG12 VAL 15 2HG1 VAL 15 5.052 -3.696 -6.227
84 HG13 VAL 15 3HG1 VAL 15 4.905 -1.954 -6.022
85 HG21 VAL 15 3HG2 VAL 15 8.432 -2.761 -5.155
86 HG22 VAL 15 1HG2 VAL 15 7.420 -1.766 -6.194
87 HG23 VAL 15 2HG2 VAL 15 7.472 -3.514 -6.429
88 H CYS 16 H CYS 16 4.294 -0.299 -3.635
89 HA CYS 16 HA CYS 16 3.146 -1.579 -1.279
90 HB2 CYS 16 2HB CYS 16 3.348 0.961 -1.422
91 HB3 CYS 16 1HB CYS 16 2.263 0.834 -2.809
92 H ASN 17 H ASN 17 1.345 -2.738 -1.502
93 HA ASN 17 HA ASN 17 0.146 -2.974 -4.183
94 HB2 ASN 17 2HB ASN 17 1.314 -5.023 -3.515
95 HB3 ASN 17 1HB ASN 17 0.348 -5.113 -2.046
96 HD21 ASN 17 1HD2 ASN 17 -0.664 -7.104 -2.524
97 HD22 ASN 17 2HD2 ASN 17 -1.741 -7.285 -3.839
98 H ASP 18 H ASP 18 -1.550 -1.715 -4.044
99 HA ASP 18 HA ASP 18 -3.050 -1.364 -1.632
100 HB2 ASP 18 2HB ASP 18 -2.884 0.560 -3.015
101 HB3 ASP 18 1HB ASP 18 -3.459 -0.327 -4.421
102 H LEU 19 H LEU 19 -4.466 -2.615 -0.892
103 HA LEU 19 HA LEU 19 -5.895 -4.459 -2.652
104 HB2 LEU 19 2HB LEU 19 -5.628 -4.497 0.355
105 HB3 LEU 19 1HB LEU 19 -6.331 -5.728 -0.634
106 HG LEU 19 HG LEU 19 -3.403 -5.011 -0.744
107 HD11 LEU 19 1HD1 LEU 19 -4.791 -7.350 0.551
108 HD12 LEU 19 2HD1 LEU 19 -3.964 -6.030 1.383
109 HD13 LEU 19 3HD1 LEU 19 -3.049 -7.151 0.378
110 HD21 LEU 19 3HD2 LEU 19 -3.205 -7.062 -2.059
111 HD22 LEU 19 1HD2 LEU 19 -4.264 -5.898 -2.852
112 HD23 LEU 19 2HD2 LEU 19 -4.953 -7.279 -1.996
113 H LYS 20 H LYS 20 -8.211 -4.877 -1.839
114 HA LYS 20 HA LYS 20 -9.689 -2.488 -2.072
115 HB2 LYS 20 2HB LYS 20 -10.637 -5.137 -0.952
116 HB3 LYS 20 1HB LYS 20 -11.672 -3.825 -1.484
117 HG2 LYS 20 2HG LYS 20 -10.842 -4.068 -3.758
118 HG3 LYS 20 1HG LYS 20 -9.776 -5.371 -3.235
119 HD2 LYS 20 2HD LYS 20 -11.733 -6.671 -2.528
120 HD3 LYS 20 1HD LYS 20 -12.784 -5.369 -3.085
121 HE2 LYS 20 2HE LYS 20 -11.941 -5.659 -5.359
122 HE3 LYS 20 1HE LYS 20 -10.882 -6.950 -4.800
123 HZ1 LYS 20 3HZ LYS 20 -12.818 -8.215 -4.154
124 HZ2 LYS 20 1HZ LYS 20 -12.893 -7.821 -5.794
125 HZ3 LYS 20 2HZ LYS 20 -13.846 -6.989 -4.675
126 H ILE 21 H ILE 21 -8.982 -4.464 0.725
127 HA ILE 21 HA ILE 21 -9.471 -2.089 2.329
128 HB ILE 21 HB ILE 21 -9.855 -3.541 4.293
129 HG12 ILE 21 2HG1 ILE 21 -10.002 -5.858 2.357
130 HG13 ILE 21 1HG1 ILE 21 -8.608 -5.531 3.384
131 HG21 ILE 21 1HG2 ILE 21 -11.743 -4.078 2.009
132 HG22 ILE 21 2HG2 ILE 21 -11.778 -2.695 3.102
133 HG23 ILE 21 3HG2 ILE 21 -12.115 -4.314 3.718
134 HD11 ILE 21 3HD1 ILE 21 -11.397 -6.126 4.308
135 HD12 ILE 21 1HD1 ILE 21 -10.009 -5.762 5.334
136 HD13 ILE 21 2HD1 ILE 21 -10.010 -7.230 4.348
137 H GLY 22 H GLY 22 -7.841 -1.476 3.573
138 HA2 GLY 22 2HA GLY 22 -5.665 -1.242 4.200
139 HA3 GLY 22 1HA GLY 22 -5.587 -3.000 4.186
140 H TYR 23 H TYR 23 -3.570 -3.086 3.355
141 HA TYR 23 HA TYR 23 -3.190 -3.139 0.581
142 HB2 TYR 23 2HB TYR 23 -1.535 -1.310 0.373
143 HB3 TYR 23 1HB TYR 23 -3.067 -0.629 0.913
144 HD1 TYR 23 1HD TYR 23 -3.334 -0.054 3.372
145 HD2 TYR 23 2HD TYR 23 0.433 -1.077 1.685
146 HE1 TYR 23 1HE TYR 23 -2.206 0.900 5.327
147 HE2 TYR 23 2HE TYR 23 1.566 -0.125 3.638
148 HH TYR 23 HH TYR 23 1.091 1.548 5.393
149 H GLU 24 H GLU 24 -0.796 -3.767 0.276
150 HA GLU 24 HA GLU 24 0.424 -4.560 2.812
151 HB2 GLU 24 2HB GLU 24 1.094 -6.707 1.927
152 HB3 GLU 24 1HB GLU 24 -0.653 -6.557 1.804
153 HG2 GLU 24 2HG GLU 24 -0.455 -6.036 -0.538
154 HG3 GLU 24 1HG GLU 24 1.305 -6.129 -0.430
155 H CYS 25 H CYS 25 2.695 -4.669 2.761
156 HA CYS 25 HA CYS 25 3.874 -3.093 0.611
157 HB2 CYS 25 2HB CYS 25 4.991 -3.867 3.317
158 HB3 CYS 25 1HB CYS 25 5.734 -2.782 2.152
159 H LEU 26 H LEU 26 5.080 -4.121 -0.848
160 HA LEU 26 HA LEU 26 5.597 -6.953 -0.469
161 HB2 LEU 26 2HB LEU 26 5.957 -5.195 -2.885
162 HB3 LEU 26 1HB LEU 26 6.131 -6.936 -2.864
163 HG LEU 26 HG LEU 26 3.559 -5.415 -2.392
164 HD11 LEU 26 1HD1 LEU 26 4.481 -7.072 -4.727
165 HD12 LEU 26 2HD1 LEU 26 4.301 -5.319 -4.698
166 HD13 LEU 26 3HD1 LEU 26 2.882 -6.354 -4.536
167 HD21 LEU 26 3HD2 LEU 26 3.615 -7.497 -1.124
168 HD22 LEU 26 1HD2 LEU 26 4.078 -8.382 -2.580
169 HD23 LEU 26 2HD2 LEU 26 2.493 -7.614 -2.478
170 HN1 NH2 27 1H LEU 26 7.309 -7.013 0.868
171 HN2 NH2 27 2H LEU 26 8.879 -6.399 0.506
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -11.382 2.780 -5.951
2 H2 GLY 1 2HT GLY 1 -9.814 2.775 -5.295
3 H3 GLY 1 3HT GLY 1 -10.596 4.221 -5.538
4 HA2 GLY 1 1HA GLY 1 -12.218 3.686 -3.869
5 HA3 GLY 1 2HA GLY 1 -11.394 2.148 -3.604
6 H THR 2 H THR 2 -10.857 2.672 -1.431
7 HA THR 2 HA THR 2 -9.367 5.045 -0.855
8 HB THR 2 HB THR 2 -9.805 2.582 0.872
9 HG1 THR 2 1HG THR 2 -11.481 4.528 -0.034
10 HG21 THR 2 3HG2 THR 2 -9.551 4.182 2.733
11 HG22 THR 2 1HG2 THR 2 -9.288 5.488 1.577
12 HG23 THR 2 2HG2 THR 2 -8.112 4.181 1.714
13 H ASN 3 H ASN 3 -7.511 4.873 -2.150
14 HA ASN 3 HA ASN 3 -5.830 2.507 -1.910
15 HB2 ASN 3 2HB ASN 3 -6.079 3.324 -4.184
16 HB3 ASN 3 1HB ASN 3 -5.589 4.937 -3.694
17 HD21 ASN 3 1HD2 ASN 3 -3.989 4.810 -5.322
18 HD22 ASN 3 2HD2 ASN 3 -2.529 3.920 -5.083
19 H GLU 4 H GLU 4 -4.659 2.445 -0.167
20 HA GLU 4 HA GLU 4 -3.711 4.751 1.164
21 HB2 GLU 4 2HB GLU 4 -3.017 1.838 1.495
22 HB3 GLU 4 1HB GLU 4 -2.411 3.104 2.539
23 HG2 GLU 4 2HG GLU 4 -4.181 2.108 3.708
24 HG3 GLU 4 1HG GLU 4 -4.827 3.621 3.099
25 H CYS 5 H CYS 5 -2.478 2.901 -1.450
26 HA CYS 5 HA CYS 5 0.283 3.342 -0.936
27 HB2 CYS 5 2HB CYS 5 -1.168 2.503 -3.411
28 HB3 CYS 5 1HB CYS 5 0.580 2.569 -3.246
29 H LEU 6 H LEU 6 -2.130 5.172 -2.495
30 HA LEU 6 HA LEU 6 -0.381 6.870 -3.994
31 HB2 LEU 6 2HB LEU 6 -2.227 8.418 -4.212
32 HB3 LEU 6 1HB LEU 6 -2.676 6.729 -4.532
33 HG LEU 6 HG LEU 6 -3.788 6.780 -2.230
34 HD11 LEU 6 1HD1 LEU 6 -4.509 8.939 -1.368
35 HD12 LEU 6 2HD1 LEU 6 -3.534 9.762 -2.584
36 HD13 LEU 6 3HD1 LEU 6 -2.752 8.796 -1.334
37 HD21 LEU 6 3HD2 LEU 6 -4.896 8.577 -4.368
38 HD22 LEU 6 1HD2 LEU 6 -5.817 7.797 -3.086
39 HD23 LEU 6 2HD2 LEU 6 -5.028 6.821 -4.331
40 H ASP 7 H ASP 7 -1.446 6.766 -0.988
41 HA ASP 7 HA ASP 7 -0.380 9.349 -0.095
42 HB2 ASP 7 2HB ASP 7 -2.479 8.536 0.921
43 HB3 ASP 7 1HB ASP 7 -1.608 7.152 1.570
44 H ASN 8 H ASN 8 1.750 9.275 -0.297
45 HA ASN 8 HA ASN 8 3.937 8.906 0.157
46 HB2 ASN 8 2HB ASN 8 2.741 8.057 2.770
47 HB3 ASN 8 1HB ASN 8 4.476 8.171 2.461
48 HD21 ASN 8 1HD2 ASN 8 2.719 9.659 4.290
49 HD22 ASN 8 2HD2 ASN 8 2.952 11.331 3.921
50 H ASN 9 H ASN 9 2.589 6.855 -1.117
51 HA ASN 9 HA ASN 9 2.917 4.779 -2.002
52 HB2 ASN 9 2HB ASN 9 5.326 5.661 -2.099
53 HB3 ASN 9 1HB ASN 9 5.595 4.800 -0.587
54 HD21 ASN 9 1HD2 ASN 9 6.193 2.721 -0.687
55 HD22 ASN 9 2HD2 ASN 9 6.253 1.754 -2.092
56 H GLY 10 H GLY 10 1.597 5.114 0.492
57 HA2 GLY 10 2HA GLY 10 0.472 3.698 1.897
58 HA3 GLY 10 1HA GLY 10 1.405 2.362 1.247
59 H GLY 11 H GLY 11 3.480 4.772 2.152
60 HA2 GLY 11 2HA GLY 11 4.834 5.049 3.984
61 HA3 GLY 11 1HA GLY 11 3.765 3.984 4.896
62 H CYS 12 H CYS 12 4.511 2.553 1.973
63 HA CYS 12 HA CYS 12 6.251 0.641 3.276
64 HB2 CYS 12 2HB CYS 12 5.178 0.698 0.435
65 HB3 CYS 12 1HB CYS 12 5.952 -0.668 1.218
66 H SER 13 H SER 13 8.438 0.622 2.927
67 HA SER 13 HA SER 13 9.624 2.729 1.375
68 HB2 SER 13 2HB SER 13 10.933 0.354 2.716
69 HB3 SER 13 1HB SER 13 11.738 1.828 2.173
70 HG SER 13 HG SER 13 9.807 2.646 3.672
71 H HIS 14 H HIS 14 8.607 -0.448 0.853
72 HA HIS 14 HA HIS 14 10.142 -0.673 -1.623
73 HB2 HIS 14 2HB HIS 14 8.717 -2.815 0.000
74 HB3 HIS 14 1HB HIS 14 9.493 -3.099 -1.548
75 HD1 HIS 14 1HD HIS 14 10.293 -2.417 2.077
76 HD2 HIS 14 2HD HIS 14 12.263 -3.326 -1.473
77 HE1 HIS 14 1HE HIS 14 12.654 -2.919 2.722
78 HE2 HIS 14 2HE HIS 14 13.862 -3.251 0.549
79 H VAL 15 H VAL 15 8.420 -2.429 -2.956
80 HA VAL 15 HA VAL 15 6.604 -0.641 -4.109
81 HB VAL 15 HB VAL 15 6.608 -3.677 -4.226
82 HG11 VAL 15 1HG1 VAL 15 5.372 -3.441 -6.333
83 HG12 VAL 15 2HG1 VAL 15 5.331 -1.696 -6.116
84 HG13 VAL 15 3HG1 VAL 15 4.470 -2.743 -4.988
85 HG21 VAL 15 3HG2 VAL 15 8.725 -2.728 -4.950
86 HG22 VAL 15 1HG2 VAL 15 7.882 -1.654 -6.063
87 HG23 VAL 15 2HG2 VAL 15 7.849 -3.398 -6.324
88 H CYS 16 H CYS 16 4.392 -0.347 -3.854
89 HA CYS 16 HA CYS 16 3.242 -1.532 -1.427
90 HB2 CYS 16 2HB CYS 16 3.502 0.996 -1.511
91 HB3 CYS 16 1HB CYS 16 2.391 0.966 -2.877
92 H ASN 17 H ASN 17 1.277 -2.538 -1.598
93 HA ASN 17 HA ASN 17 0.060 -2.651 -4.260
94 HB2 ASN 17 2HB ASN 17 1.322 -4.730 -3.911
95 HB3 ASN 17 1HB ASN 17 0.447 -5.022 -2.413
96 HD21 ASN 17 1HD2 ASN 17 -1.651 -5.824 -2.524
97 HD22 ASN 17 2HD2 ASN 17 -2.370 -6.407 -3.970
98 H ASP 18 H ASP 18 -1.617 -1.480 -3.932
99 HA ASP 18 HA ASP 18 -3.101 -1.307 -1.553
100 HB2 ASP 18 2HB ASP 18 -3.181 0.527 -3.032
101 HB3 ASP 18 1HB ASP 18 -3.697 -0.449 -4.387
102 H LEU 19 H LEU 19 -4.857 -2.279 -0.848
103 HA LEU 19 HA LEU 19 -5.963 -4.464 -2.460
104 HB2 LEU 19 2HB LEU 19 -5.689 -4.371 0.544
105 HB3 LEU 19 1HB LEU 19 -6.382 -5.651 -0.407
106 HG LEU 19 HG LEU 19 -3.487 -4.885 -0.660
107 HD11 LEU 19 1HD1 LEU 19 -4.772 -7.063 0.969
108 HD12 LEU 19 2HD1 LEU 19 -3.957 -5.635 1.608
109 HD13 LEU 19 3HD1 LEU 19 -3.042 -6.848 0.712
110 HD21 LEU 19 3HD2 LEU 19 -3.332 -7.089 -1.708
111 HD22 LEU 19 1HD2 LEU 19 -4.449 -6.042 -2.580
112 HD23 LEU 19 2HD2 LEU 19 -5.072 -7.305 -1.521
113 H LYS 20 H LYS 20 -8.226 -5.002 -1.629
114 HA LYS 20 HA LYS 20 -9.881 -2.766 -1.967
115 HB2 LYS 20 2HB LYS 20 -10.444 -5.248 -2.297
116 HB3 LYS 20 1HB LYS 20 -10.692 -5.326 -0.564
117 HG2 LYS 20 2HG LYS 20 -12.243 -3.473 -2.363
118 HG3 LYS 20 1HG LYS 20 -12.755 -5.113 -2.002
119 HD2 LYS 20 2HD LYS 20 -12.956 -4.571 0.349
120 HD3 LYS 20 1HD LYS 20 -12.296 -2.959 0.063
121 HE2 LYS 20 2HE LYS 20 -14.843 -4.012 -1.163
122 HE3 LYS 20 1HE LYS 20 -14.785 -3.019 0.285
123 HZ1 LYS 20 3HZ LYS 20 -13.782 -2.193 -2.392
124 HZ2 LYS 20 1HZ LYS 20 -13.816 -1.227 -1.014
125 HZ3 LYS 20 2HZ LYS 20 -15.246 -1.727 -1.728
126 H ILE 21 H ILE 21 -9.026 -4.530 0.940
127 HA ILE 21 HA ILE 21 -9.689 -2.138 2.458
128 HB ILE 21 HB ILE 21 -9.893 -3.551 4.486
129 HG12 ILE 21 2HG1 ILE 21 -9.934 -5.951 2.657
130 HG13 ILE 21 1HG1 ILE 21 -8.491 -5.456 3.541
131 HG21 ILE 21 1HG2 ILE 21 -11.763 -4.341 2.265
132 HG22 ILE 21 2HG2 ILE 21 -11.901 -2.919 3.295
133 HG23 ILE 21 3HG2 ILE 21 -12.080 -4.531 3.989
134 HD11 ILE 21 3HD1 ILE 21 -11.130 -6.236 4.735
135 HD12 ILE 21 1HD1 ILE 21 -9.692 -5.700 5.606
136 HD13 ILE 21 2HD1 ILE 21 -9.649 -7.219 4.695
137 H GLY 22 H GLY 22 -8.120 -1.265 3.525
138 HA2 GLY 22 2HA GLY 22 -5.936 -0.714 4.025
139 HA3 GLY 22 1HA GLY 22 -5.722 -2.429 4.337
140 H TYR 23 H TYR 23 -3.813 -2.798 3.430
141 HA TYR 23 HA TYR 23 -3.492 -3.007 0.624
142 HB2 TYR 23 2HB TYR 23 -1.709 -1.360 0.333
143 HB3 TYR 23 1HB TYR 23 -3.138 -0.525 0.930
144 HD1 TYR 23 2HD TYR 23 -3.227 -0.045 3.480
145 HD2 TYR 23 1HD TYR 23 0.334 -1.136 1.436
146 HE1 TYR 23 2HE TYR 23 -1.895 0.869 5.325
147 HE2 TYR 23 1HE TYR 23 1.668 -0.230 3.275
148 HH TYR 23 HH TYR 23 1.392 1.435 4.985
149 H GLU 24 H GLU 24 -0.969 -3.543 0.325
150 HA GLU 24 HA GLU 24 0.208 -4.598 2.766
151 HB2 GLU 24 2HB GLU 24 0.704 -6.753 1.751
152 HB3 GLU 24 1HB GLU 24 -1.029 -6.492 1.701
153 HG2 GLU 24 2HG GLU 24 -0.802 -5.825 -0.695
154 HG3 GLU 24 1HG GLU 24 0.909 -6.177 -0.570
155 H CYS 25 H CYS 25 2.472 -4.628 2.648
156 HA CYS 25 HA CYS 25 3.578 -3.097 0.434
157 HB2 CYS 25 2HB CYS 25 4.939 -4.106 2.952
158 HB3 CYS 25 1HB CYS 25 5.622 -2.981 1.786
159 H LEU 26 H LEU 26 5.085 -3.952 -0.989
160 HA LEU 26 HA LEU 26 5.408 -6.872 -0.911
161 HB2 LEU 26 2HB LEU 26 5.537 -4.981 -3.259
162 HB3 LEU 26 1HB LEU 26 5.748 -6.715 -3.344
163 HG LEU 26 HG LEU 26 3.187 -5.250 -2.665
164 HD11 LEU 26 1HD1 LEU 26 4.060 -6.817 -5.080
165 HD12 LEU 26 2HD1 LEU 26 3.778 -5.077 -5.003
166 HD13 LEU 26 3HD1 LEU 26 2.434 -6.204 -4.808
167 HD21 LEU 26 3HD2 LEU 26 2.131 -7.426 -2.723
168 HD22 LEU 26 1HD2 LEU 26 3.371 -7.388 -1.470
169 HD23 LEU 26 2HD2 LEU 26 3.688 -8.201 -3.008
170 HN1 NH2 27 1H LEU 26 7.290 -7.040 0.191
171 HN2 NH2 27 2H LEU 26 8.787 -6.327 -0.299
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -9.313 8.432 0.083
2 H2 GLY 1 2HT GLY 1 -10.888 7.910 0.369
3 H3 GLY 1 3HT GLY 1 -10.586 9.022 -0.871
4 HA2 GLY 1 1HA GLY 1 -10.954 6.828 -1.762
5 HA3 GLY 1 2HA GLY 1 -9.301 7.359 -2.055
6 H THR 2 H THR 2 -10.170 4.632 -2.005
7 HA THR 2 HA THR 2 -9.050 3.755 0.522
8 HB THR 2 HB THR 2 -10.792 2.144 -1.380
9 HG1 THR 2 1HG THR 2 -11.692 3.115 1.094
10 HG21 THR 2 3HG2 THR 2 -9.406 0.818 0.161
11 HG22 THR 2 1HG2 THR 2 -11.115 0.684 0.591
12 HG23 THR 2 2HG2 THR 2 -10.024 1.737 1.514
13 H ASN 3 H ASN 3 -7.559 4.606 -1.663
14 HA ASN 3 HA ASN 3 -6.021 2.144 -2.148
15 HB2 ASN 3 2HB ASN 3 -6.758 3.239 -4.290
16 HB3 ASN 3 1HB ASN 3 -5.864 4.681 -3.824
17 HD21 ASN 3 1HD2 ASN 3 -5.549 2.873 -6.134
18 HD22 ASN 3 2HD2 ASN 3 -3.903 2.353 -6.075
19 H GLU 4 H GLU 4 -5.048 2.194 -0.281
20 HA GLU 4 HA GLU 4 -4.071 4.465 0.945
21 HB2 GLU 4 2HB GLU 4 -3.399 1.573 1.444
22 HB3 GLU 4 1HB GLU 4 -3.013 2.896 2.521
23 HG2 GLU 4 2HG GLU 4 -4.910 1.806 3.432
24 HG3 GLU 4 1HG GLU 4 -5.487 3.312 2.746
25 H CYS 5 H CYS 5 -2.743 2.417 -1.482
26 HA CYS 5 HA CYS 5 0.013 2.840 -0.854
27 HB2 CYS 5 2HB CYS 5 -1.327 1.714 -3.286
28 HB3 CYS 5 1HB CYS 5 0.413 1.798 -3.071
29 H LEU 6 H LEU 6 -2.320 4.412 -2.850
30 HA LEU 6 HA LEU 6 -0.476 5.988 -4.345
31 HB2 LEU 6 2HB LEU 6 -3.337 6.472 -3.604
32 HB3 LEU 6 1HB LEU 6 -2.419 7.594 -4.577
33 HG LEU 6 HG LEU 6 -3.159 4.745 -5.283
34 HD11 LEU 6 1HD1 LEU 6 -4.506 5.773 -7.037
35 HD12 LEU 6 2HD1 LEU 6 -4.062 7.372 -6.441
36 HD13 LEU 6 3HD1 LEU 6 -5.020 6.290 -5.431
37 HD21 LEU 6 3HD2 LEU 6 -2.179 5.232 -7.496
38 HD22 LEU 6 1HD2 LEU 6 -0.966 5.258 -6.215
39 HD23 LEU 6 2HD2 LEU 6 -1.584 6.771 -6.876
40 H ASP 7 H ASP 7 -1.783 6.226 -1.253
41 HA ASP 7 HA ASP 7 -0.813 8.929 -0.759
42 HB2 ASP 7 2HB ASP 7 -2.919 8.362 0.253
43 HB3 ASP 7 1HB ASP 7 -2.217 6.913 0.971
44 H ASN 8 H ASN 8 1.320 8.952 -0.718
45 HA ASN 8 HA ASN 8 3.479 8.853 0.128
46 HB2 ASN 8 2HB ASN 8 2.140 9.337 2.160
47 HB3 ASN 8 1HB ASN 8 2.186 7.635 2.574
48 HD21 ASN 8 1HD2 ASN 8 3.322 7.941 4.500
49 HD22 ASN 8 2HD2 ASN 8 4.967 8.429 4.568
50 H ASN 9 H ASN 9 2.209 6.625 -1.164
51 HA ASN 9 HA ASN 9 2.588 4.478 -1.921
52 HB2 ASN 9 2HB ASN 9 4.953 5.371 -2.183
53 HB3 ASN 9 1HB ASN 9 5.326 4.686 -0.606
54 HD21 ASN 9 1HD2 ASN 9 6.806 3.215 -1.295
55 HD22 ASN 9 2HD2 ASN 9 6.462 1.857 -2.285
56 H GLY 10 H GLY 10 1.249 4.832 0.491
57 HA2 GLY 10 2HA GLY 10 0.281 3.450 2.063
58 HA3 GLY 10 1HA GLY 10 1.358 2.167 1.537
59 H GLY 11 H GLY 11 3.134 4.883 2.207
60 HA2 GLY 11 2HA GLY 11 4.345 5.566 4.066
61 HA3 GLY 11 1HA GLY 11 3.503 4.352 5.029
62 H CYS 12 H CYS 12 4.659 3.155 2.064
63 HA CYS 12 HA CYS 12 6.789 1.855 3.529
64 HB2 CYS 12 2HB CYS 12 5.132 0.927 1.201
65 HB3 CYS 12 1HB CYS 12 6.500 0.034 1.860
66 H SER 13 H SER 13 8.771 1.698 2.736
67 HA SER 13 HA SER 13 9.622 3.389 0.575
68 HB2 SER 13 2HB SER 13 11.198 1.395 2.214
69 HB3 SER 13 1HB SER 13 11.809 2.797 1.324
70 HG SER 13 HG SER 13 10.464 4.060 2.712
71 H HIS 14 H HIS 14 8.778 0.134 1.235
72 HA HIS 14 HA HIS 14 9.972 -0.913 -1.215
73 HB2 HIS 14 2HB HIS 14 8.158 -2.323 0.764
74 HB3 HIS 14 1HB HIS 14 8.941 -3.075 -0.588
75 HD1 HIS 14 1HD HIS 14 11.485 -3.645 -0.381
76 HD2 HIS 14 2HD HIS 14 9.835 -1.892 2.998
77 HE1 HIS 14 1HE HIS 14 13.171 -3.926 1.421
78 HE2 HIS 14 2HE HIS 14 12.041 -3.091 3.488
79 H VAL 15 H VAL 15 8.310 -2.397 -2.396
80 HA VAL 15 HA VAL 15 6.463 -0.623 -3.632
81 HB VAL 15 HB VAL 15 6.742 -3.634 -3.931
82 HG11 VAL 15 1HG1 VAL 15 5.238 -1.663 -5.654
83 HG12 VAL 15 2HG1 VAL 15 4.519 -2.920 -4.646
84 HG13 VAL 15 3HG1 VAL 15 5.507 -3.361 -6.041
85 HG21 VAL 15 3HG2 VAL 15 7.929 -3.094 -5.992
86 HG22 VAL 15 1HG2 VAL 15 8.733 -2.379 -4.595
87 HG23 VAL 15 2HG2 VAL 15 7.746 -1.373 -5.653
88 H CYS 16 H CYS 16 4.351 -0.301 -3.297
89 HA CYS 16 HA CYS 16 3.108 -1.854 -1.168
90 HB2 CYS 16 2HB CYS 16 3.283 0.678 -0.926
91 HB3 CYS 16 1HB CYS 16 2.247 0.753 -2.345
92 H ASN 17 H ASN 17 1.594 -3.116 -1.690
93 HA ASN 17 HA ASN 17 0.464 -3.174 -4.406
94 HB2 ASN 17 2HB ASN 17 1.527 -5.288 -3.786
95 HB3 ASN 17 1HB ASN 17 0.656 -5.321 -2.262
96 HD21 ASN 17 1HD2 ASN 17 -0.230 -7.373 -2.705
97 HD22 ASN 17 2HD2 ASN 17 -1.462 -7.582 -3.889
98 H ASP 18 H ASP 18 -1.445 -2.288 -4.534
99 HA ASP 18 HA ASP 18 -2.871 -1.764 -2.104
100 HB2 ASP 18 2HB ASP 18 -2.862 0.072 -3.581
101 HB3 ASP 18 1HB ASP 18 -3.375 -0.919 -4.942
102 H LEU 19 H LEU 19 -3.818 -3.416 -1.282
103 HA LEU 19 HA LEU 19 -5.390 -5.282 -2.799
104 HB2 LEU 19 2HB LEU 19 -5.694 -4.711 0.148
105 HB3 LEU 19 1HB LEU 19 -6.107 -6.145 -0.711
106 HG LEU 19 HG LEU 19 -3.267 -5.277 -0.223
107 HD11 LEU 19 1HD1 LEU 19 -4.345 -5.980 1.819
108 HD12 LEU 19 2HD1 LEU 19 -3.215 -7.229 1.283
109 HD13 LEU 19 3HD1 LEU 19 -4.945 -7.432 1.026
110 HD21 LEU 19 3HD2 LEU 19 -2.694 -7.481 -1.085
111 HD22 LEU 19 1HD2 LEU 19 -3.529 -6.522 -2.304
112 HD23 LEU 19 2HD2 LEU 19 -4.394 -7.796 -1.440
113 H LYS 20 H LYS 20 -7.817 -5.363 -2.436
114 HA LYS 20 HA LYS 20 -8.980 -2.860 -3.076
115 HB2 LYS 20 2HB LYS 20 -9.928 -5.234 -3.490
116 HB3 LYS 20 1HB LYS 20 -10.452 -5.191 -1.821
117 HG2 LYS 20 2HG LYS 20 -12.385 -4.527 -2.822
118 HG3 LYS 20 1HG LYS 20 -11.621 -2.954 -2.621
119 HD2 LYS 20 2HD LYS 20 -11.440 -4.607 -5.151
120 HD3 LYS 20 1HD LYS 20 -12.654 -3.372 -4.887
121 HE2 LYS 20 2HE LYS 20 -9.664 -2.883 -4.914
122 HE3 LYS 20 1HE LYS 20 -10.735 -2.638 -6.279
123 HZ1 LYS 20 3HZ LYS 20 -10.346 -0.558 -5.166
124 HZ2 LYS 20 1HZ LYS 20 -10.911 -1.164 -3.695
125 HZ3 LYS 20 2HZ LYS 20 -11.954 -1.005 -4.994
126 H ILE 21 H ILE 21 -9.076 -4.787 -0.146
127 HA ILE 21 HA ILE 21 -9.661 -2.347 1.332
128 HB ILE 21 HB ILE 21 -10.292 -3.843 3.245
129 HG12 ILE 21 2HG1 ILE 21 -10.383 -6.032 1.163
130 HG13 ILE 21 1HG1 ILE 21 -9.093 -5.873 2.350
131 HG21 ILE 21 1HG2 ILE 21 -11.918 -4.089 0.729
132 HG22 ILE 21 2HG2 ILE 21 -11.990 -2.781 1.913
133 HG23 ILE 21 3HG2 ILE 21 -12.503 -4.410 2.360
134 HD11 ILE 21 3HD1 ILE 21 -10.707 -6.137 4.120
135 HD12 ILE 21 1HD1 ILE 21 -10.725 -7.529 3.032
136 HD13 ILE 21 2HD1 ILE 21 -12.003 -6.302 2.932
137 H GLY 22 H GLY 22 -8.338 -1.741 2.853
138 HA2 GLY 22 2HA GLY 22 -6.249 -1.393 3.758
139 HA3 GLY 22 1HA GLY 22 -6.089 -3.148 3.780
140 H TYR 23 H TYR 23 -3.910 -2.975 3.205
141 HA TYR 23 HA TYR 23 -3.446 -3.034 0.411
142 HB2 TYR 23 2HB TYR 23 -1.677 -1.335 0.351
143 HB3 TYR 23 1HB TYR 23 -3.198 -0.602 0.828
144 HD1 TYR 23 1HD TYR 23 -3.530 -0.054 3.307
145 HD2 TYR 23 2HD TYR 23 0.237 -1.151 1.693
146 HE1 TYR 23 1HE TYR 23 -2.408 0.968 5.241
147 HE2 TYR 23 2HE TYR 23 1.364 -0.143 3.615
148 HH TYR 23 HH TYR 23 0.895 1.599 5.241
149 H GLU 24 H GLU 24 -0.928 -3.456 0.140
150 HA GLU 24 HA GLU 24 0.074 -5.062 2.361
151 HB2 GLU 24 2HB GLU 24 -1.257 -6.582 1.084
152 HB3 GLU 24 1HB GLU 24 -0.578 -6.005 -0.424
153 HG2 GLU 24 2HG GLU 24 1.570 -6.976 0.176
154 HG3 GLU 24 1HG GLU 24 0.890 -7.528 1.707
155 H CYS 25 H CYS 25 2.086 -4.185 2.612
156 HA CYS 25 HA CYS 25 3.534 -3.276 0.281
157 HB2 CYS 25 2HB CYS 25 4.271 -3.257 3.204
158 HB3 CYS 25 1HB CYS 25 5.280 -2.594 1.920
159 H LEU 26 H LEU 26 5.232 -4.185 -0.625
160 HA LEU 26 HA LEU 26 5.990 -6.874 0.308
161 HB2 LEU 26 2HB LEU 26 5.712 -5.858 -2.518
162 HB3 LEU 26 1HB LEU 26 6.224 -7.472 -2.064
163 HG LEU 26 HG LEU 26 3.514 -6.286 -1.497
164 HD11 LEU 26 1HD1 LEU 26 3.892 -6.605 -3.877
165 HD12 LEU 26 2HD1 LEU 26 2.712 -7.755 -3.253
166 HD13 LEU 26 3HD1 LEU 26 4.369 -8.278 -3.581
167 HD21 LEU 26 3HD2 LEU 26 2.897 -8.595 -0.930
168 HD22 LEU 26 1HD2 LEU 26 4.169 -7.985 0.126
169 HD23 LEU 26 2HD2 LEU 26 4.570 -9.100 -1.178
170 HN1 NH2 27 1H LEU 26 7.377 -5.311 -2.476
171 HN2 NH2 27 2H LEU 26 8.920 -4.986 -1.789
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -12.778 2.260 -4.661
2 H2 GLY 1 2HT GLY 1 -11.275 2.973 -5.026
3 H3 GLY 1 3HT GLY 1 -12.462 3.856 -4.210
4 HA2 GLY 1 1HA GLY 1 -12.305 2.420 -2.323
5 HA3 GLY 1 2HA GLY 1 -11.095 1.463 -3.172
6 H THR 2 H THR 2 -10.369 2.417 -0.805
7 HA THR 2 HA THR 2 -9.092 4.984 -1.001
8 HB THR 2 HB THR 2 -8.693 2.842 1.093
9 HG1 THR 2 1HG THR 2 -10.954 4.182 0.376
10 HG21 THR 2 3HG2 THR 2 -7.262 4.855 1.206
11 HG22 THR 2 1HG2 THR 2 -8.381 4.757 2.566
12 HG23 THR 2 2HG2 THR 2 -8.718 5.859 1.239
13 H ASN 3 H ASN 3 -7.171 5.169 -2.056
14 HA ASN 3 HA ASN 3 -5.560 2.765 -2.537
15 HB2 ASN 3 2HB ASN 3 -6.336 4.262 -4.440
16 HB3 ASN 3 1HB ASN 3 -5.267 5.493 -3.813
17 HD21 ASN 3 1HD2 ASN 3 -4.572 2.102 -3.939
18 HD22 ASN 3 2HD2 ASN 3 -3.265 2.176 -5.071
19 H GLU 4 H GLU 4 -4.719 2.771 -0.401
20 HA GLU 4 HA GLU 4 -3.487 4.818 0.993
21 HB2 GLU 4 2HB GLU 4 -2.818 1.893 0.931
22 HB3 GLU 4 1HB GLU 4 -1.964 3.011 1.969
23 HG2 GLU 4 2HG GLU 4 -3.631 1.867 3.233
24 HG3 GLU 4 1HG GLU 4 -4.093 3.550 3.082
25 H CYS 5 H CYS 5 -2.146 2.863 -1.529
26 HA CYS 5 HA CYS 5 0.553 3.436 -1.310
27 HB2 CYS 5 2HB CYS 5 -1.061 2.873 -3.763
28 HB3 CYS 5 1HB CYS 5 0.686 2.799 -3.638
29 H LEU 6 H LEU 6 -1.952 5.378 -2.563
30 HA LEU 6 HA LEU 6 -0.430 7.218 -4.084
31 HB2 LEU 6 2HB LEU 6 -3.048 7.480 -2.655
32 HB3 LEU 6 1HB LEU 6 -2.350 8.823 -3.545
33 HG LEU 6 HG LEU 6 -3.294 6.154 -4.620
34 HD11 LEU 6 1HD1 LEU 6 -4.978 7.507 -5.751
35 HD12 LEU 6 2HD1 LEU 6 -4.336 8.962 -4.991
36 HD13 LEU 6 3HD1 LEU 6 -5.078 7.706 -4.001
37 HD21 LEU 6 3HD2 LEU 6 -1.350 6.899 -5.906
38 HD22 LEU 6 1HD2 LEU 6 -2.062 8.506 -6.082
39 HD23 LEU 6 2HD2 LEU 6 -2.823 7.113 -6.844
40 H ASP 7 H ASP 7 -1.129 7.022 -0.662
41 HA ASP 7 HA ASP 7 0.130 9.624 -0.220
42 HB2 ASP 7 2HB ASP 7 -2.034 9.276 0.897
43 HB3 ASP 7 1HB ASP 7 -1.378 7.865 1.722
44 H ASN 8 H ASN 8 2.223 9.405 -0.251
45 HA ASN 8 HA ASN 8 4.342 8.887 0.327
46 HB2 ASN 8 2HB ASN 8 3.064 7.956 2.899
47 HB3 ASN 8 1HB ASN 8 4.793 8.091 2.590
48 HD21 ASN 8 1HD2 ASN 8 1.833 9.825 3.212
49 HD22 ASN 8 2HD2 ASN 8 2.572 11.363 3.438
50 H ASN 9 H ASN 9 2.913 7.044 -1.096
51 HA ASN 9 HA ASN 9 3.091 4.955 -2.056
52 HB2 ASN 9 2HB ASN 9 5.581 5.526 -1.864
53 HB3 ASN 9 1HB ASN 9 5.597 4.582 -0.382
54 HD21 ASN 9 1HD2 ASN 9 6.945 3.038 -1.073
55 HD22 ASN 9 2HD2 ASN 9 6.607 1.872 -2.287
56 H GLY 10 H GLY 10 1.685 5.401 0.452
57 HA2 GLY 10 2HA GLY 10 0.312 4.070 1.723
58 HA3 GLY 10 1HA GLY 10 1.165 2.654 1.124
59 H GLY 11 H GLY 11 3.552 4.606 2.091
60 HA2 GLY 11 2HA GLY 11 4.635 4.864 4.149
61 HA3 GLY 11 1HA GLY 11 3.514 3.702 4.865
62 H CYS 12 H CYS 12 4.439 2.641 1.856
63 HA CYS 12 HA CYS 12 6.155 0.619 3.009
64 HB2 CYS 12 2HB CYS 12 5.129 0.942 0.178
65 HB3 CYS 12 1HB CYS 12 5.862 -0.500 0.866
66 H SER 13 H SER 13 8.330 0.482 2.574
67 HA SER 13 HA SER 13 9.597 2.641 1.136
68 HB2 SER 13 2HB SER 13 11.638 1.386 2.004
69 HB3 SER 13 1HB SER 13 10.584 2.101 3.233
70 HG SER 13 HG SER 13 11.332 -0.203 3.402
71 H HIS 14 H HIS 14 8.602 -0.550 0.789
72 HA HIS 14 HA HIS 14 10.119 -0.959 -1.691
73 HB2 HIS 14 2HB HIS 14 8.465 -2.924 -0.058
74 HB3 HIS 14 1HB HIS 14 9.313 -3.327 -1.536
75 HD1 HIS 14 1HD HIS 14 11.908 -3.684 -1.352
76 HD2 HIS 14 2HD HIS 14 10.052 -2.737 2.255
77 HE1 HIS 14 1HE HIS 14 13.554 -4.260 0.434
78 HE2 HIS 14 2HE HIS 14 12.363 -3.795 2.606
79 H VAL 15 H VAL 15 8.282 -2.628 -3.007
80 HA VAL 15 HA VAL 15 6.503 -0.795 -4.148
81 HB VAL 15 HB VAL 15 6.461 -3.829 -4.244
82 HG11 VAL 15 1HG1 VAL 15 4.255 -2.981 -4.827
83 HG12 VAL 15 2HG1 VAL 15 5.081 -3.562 -6.278
84 HG13 VAL 15 3HG1 VAL 15 4.978 -1.833 -5.951
85 HG21 VAL 15 3HG2 VAL 15 7.498 -1.786 -6.192
86 HG22 VAL 15 1HG2 VAL 15 7.484 -3.531 -6.440
87 HG23 VAL 15 2HG2 VAL 15 8.477 -2.828 -5.162
88 H CYS 16 H CYS 16 4.471 -0.224 -3.701
89 HA CYS 16 HA CYS 16 3.213 -1.342 -1.321
90 HB2 CYS 16 2HB CYS 16 3.346 1.149 -1.542
91 HB3 CYS 16 1HB CYS 16 2.396 1.022 -3.020
92 H ASN 17 H ASN 17 1.251 -2.320 -1.373
93 HA ASN 17 HA ASN 17 0.053 -2.893 -3.995
94 HB2 ASN 17 2HB ASN 17 1.296 -4.885 -3.278
95 HB3 ASN 17 1HB ASN 17 0.473 -4.859 -1.724
96 HD21 ASN 17 1HD2 ASN 17 -0.262 -6.974 -2.094
97 HD22 ASN 17 2HD2 ASN 17 -1.550 -7.339 -3.171
98 H ASP 18 H ASP 18 -1.736 -1.792 -3.917
99 HA ASP 18 HA ASP 18 -3.130 -1.418 -1.417
100 HB2 ASP 18 2HB ASP 18 -2.989 0.549 -2.706
101 HB3 ASP 18 1HB ASP 18 -3.520 -0.273 -4.164
102 H LEU 19 H LEU 19 -4.680 -2.590 -0.767
103 HA LEU 19 HA LEU 19 -5.991 -4.360 -2.674
104 HB2 LEU 19 2HB LEU 19 -5.912 -4.534 0.329
105 HB3 LEU 19 1HB LEU 19 -6.585 -5.713 -0.763
106 HG LEU 19 HG LEU 19 -3.654 -5.039 -0.531
107 HD11 LEU 19 1HD1 LEU 19 -3.452 -7.257 0.443
108 HD12 LEU 19 2HD1 LEU 19 -5.203 -7.457 0.359
109 HD13 LEU 19 3HD1 LEU 19 -4.506 -6.220 1.405
110 HD21 LEU 19 3HD2 LEU 19 -4.238 -5.714 -2.793
111 HD22 LEU 19 1HD2 LEU 19 -5.075 -7.135 -2.169
112 HD23 LEU 19 2HD2 LEU 19 -3.328 -6.989 -1.985
113 H LYS 20 H LYS 20 -8.288 -4.764 -2.109
114 HA LYS 20 HA LYS 20 -9.743 -2.345 -2.024
115 HB2 LYS 20 2HB LYS 20 -10.690 -5.211 -1.712
116 HB3 LYS 20 1HB LYS 20 -11.768 -3.833 -1.844
117 HG2 LYS 20 2HG LYS 20 -10.996 -3.352 -4.058
118 HG3 LYS 20 1HG LYS 20 -9.741 -4.582 -3.941
119 HD2 LYS 20 2HD LYS 20 -11.417 -6.324 -3.848
120 HD3 LYS 20 1HD LYS 20 -12.704 -5.118 -3.803
121 HE2 LYS 20 2HE LYS 20 -12.420 -6.119 -6.040
122 HE3 LYS 20 1HE LYS 20 -12.155 -4.380 -6.033
123 HZ1 LYS 20 3HZ LYS 20 -9.995 -6.429 -5.999
124 HZ2 LYS 20 1HZ LYS 20 -9.774 -4.763 -6.098
125 HZ3 LYS 20 2HZ LYS 20 -10.504 -5.593 -7.362
126 H ILE 21 H ILE 21 -9.105 -4.826 0.363
127 HA ILE 21 HA ILE 21 -9.926 -2.842 2.325
128 HB ILE 21 HB ILE 21 -10.035 -4.621 4.030
129 HG12 ILE 21 2HG1 ILE 21 -9.792 -6.625 1.783
130 HG13 ILE 21 1HG1 ILE 21 -8.441 -6.194 2.833
131 HG21 ILE 21 1HG2 ILE 21 -12.099 -5.681 3.253
132 HG22 ILE 21 2HG2 ILE 21 -11.756 -5.114 1.616
133 HG23 ILE 21 3HG2 ILE 21 -12.052 -3.951 2.910
134 HD11 ILE 21 3HD1 ILE 21 -9.486 -8.225 3.589
135 HD12 ILE 21 1HD1 ILE 21 -11.053 -7.392 3.689
136 HD13 ILE 21 2HD1 ILE 21 -9.725 -6.897 4.740
137 H GLY 22 H GLY 22 -8.514 -2.017 3.558
138 HA2 GLY 22 2HA GLY 22 -6.416 -1.255 4.199
139 HA3 GLY 22 1HA GLY 22 -6.030 -2.964 4.351
140 H TYR 23 H TYR 23 -4.057 -3.040 3.545
141 HA TYR 23 HA TYR 23 -3.589 -3.187 0.782
142 HB2 TYR 23 2HB TYR 23 -2.069 -1.326 0.456
143 HB3 TYR 23 1HB TYR 23 -3.551 -0.641 1.110
144 HD1 TYR 23 2HD TYR 23 -3.539 -0.409 3.778
145 HD2 TYR 23 1HD TYR 23 -0.066 -0.669 1.341
146 HE1 TYR 23 2HE TYR 23 -2.215 0.632 5.560
147 HE2 TYR 23 1HE TYR 23 1.260 0.362 3.115
148 HH TYR 23 HH TYR 23 0.852 1.853 5.017
149 H GLU 24 H GLU 24 -0.935 -3.341 0.643
150 HA GLU 24 HA GLU 24 0.271 -4.056 3.137
151 HB2 GLU 24 2HB GLU 24 0.898 -6.329 2.472
152 HB3 GLU 24 1HB GLU 24 -0.843 -6.161 2.570
153 HG2 GLU 24 2HG GLU 24 -0.952 -6.023 0.117
154 HG3 GLU 24 1HG GLU 24 0.801 -6.156 0.062
155 H CYS 25 H CYS 25 2.599 -4.638 2.756
156 HA CYS 25 HA CYS 25 3.564 -3.068 0.486
157 HB2 CYS 25 2HB CYS 25 4.950 -3.691 3.100
158 HB3 CYS 25 1HB CYS 25 5.578 -2.681 1.803
159 H LEU 26 H LEU 26 4.795 -4.031 -0.971
160 HA LEU 26 HA LEU 26 5.473 -6.845 -0.563
161 HB2 LEU 26 2HB LEU 26 5.130 -5.252 -3.102
162 HB3 LEU 26 1HB LEU 26 5.544 -6.948 -3.020
163 HG LEU 26 HG LEU 26 2.922 -5.748 -2.117
164 HD11 LEU 26 1HD1 LEU 26 2.014 -6.892 -4.076
165 HD12 LEU 26 2HD1 LEU 26 3.645 -7.379 -4.545
166 HD13 LEU 26 3HD1 LEU 26 3.204 -5.672 -4.526
167 HD21 LEU 26 3HD2 LEU 26 3.510 -7.743 -0.830
168 HD22 LEU 26 1HD2 LEU 26 3.822 -8.624 -2.327
169 HD23 LEU 26 2HD2 LEU 26 2.189 -8.082 -1.947
170 HN1 NH2 27 1H LEU 26 7.427 -6.610 0.385
171 HN2 NH2 27 2H LEU 26 8.803 -5.874 -0.354
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -12.960 3.007 -2.937
2 H2 GLY 1 2HT GLY 1 -13.304 1.366 -2.599
3 H3 GLY 1 3HT GLY 1 -11.846 1.807 -3.332
4 HA2 GLY 1 1HA GLY 1 -12.634 2.600 -0.620
5 HA3 GLY 1 2HA GLY 1 -11.537 1.281 -1.023
6 H THR 2 H THR 2 -10.398 3.015 0.512
7 HA THR 2 HA THR 2 -9.256 5.268 -0.807
8 HB THR 2 HB THR 2 -8.545 3.866 1.780
9 HG1 THR 2 1HG THR 2 -9.766 6.277 2.017
10 HG21 THR 2 3HG2 THR 2 -7.470 6.003 2.399
11 HG22 THR 2 1HG2 THR 2 -7.843 6.635 0.795
12 HG23 THR 2 2HG2 THR 2 -6.717 5.292 0.969
13 H ASN 3 H ASN 3 -7.447 5.214 -2.050
14 HA ASN 3 HA ASN 3 -5.785 2.822 -2.092
15 HB2 ASN 3 2HB ASN 3 -6.383 3.985 -4.251
16 HB3 ASN 3 1HB ASN 3 -5.529 5.402 -3.672
17 HD21 ASN 3 1HD2 ASN 3 -5.088 3.814 -6.029
18 HD22 ASN 3 2HD2 ASN 3 -3.448 3.268 -5.952
19 H GLU 4 H GLU 4 -4.615 2.799 -0.232
20 HA GLU 4 HA GLU 4 -3.511 5.220 0.801
21 HB2 GLU 4 2HB GLU 4 -2.911 2.415 1.731
22 HB3 GLU 4 1HB GLU 4 -2.659 3.905 2.618
23 HG2 GLU 4 2HG GLU 4 -4.563 3.197 3.628
24 HG3 GLU 4 1HG GLU 4 -5.282 4.104 2.303
25 H CYS 5 H CYS 5 -2.496 2.980 -1.508
26 HA CYS 5 HA CYS 5 0.311 3.171 -0.897
27 HB2 CYS 5 2HB CYS 5 -1.151 1.921 -3.184
28 HB3 CYS 5 1HB CYS 5 0.602 1.977 -3.072
29 H LEU 6 H LEU 6 -1.864 4.848 -2.939
30 HA LEU 6 HA LEU 6 0.194 6.090 -4.491
31 HB2 LEU 6 2HB LEU 6 -1.483 7.656 -5.250
32 HB3 LEU 6 1HB LEU 6 -2.030 5.967 -5.307
33 HG LEU 6 HG LEU 6 -3.467 6.512 -3.289
34 HD11 LEU 6 1HD1 LEU 6 -4.055 8.837 -2.888
35 HD12 LEU 6 2HD1 LEU 6 -2.843 9.361 -4.058
36 HD13 LEU 6 3HD1 LEU 6 -2.340 8.571 -2.562
37 HD21 LEU 6 3HD2 LEU 6 -3.984 7.992 -5.854
38 HD22 LEU 6 1HD2 LEU 6 -5.191 7.591 -4.635
39 HD23 LEU 6 2HD2 LEU 6 -4.371 6.305 -5.519
40 H ASP 7 H ASP 7 -1.238 6.574 -1.702
41 HA ASP 7 HA ASP 7 -0.163 9.244 -1.148
42 HB2 ASP 7 2HB ASP 7 -2.405 8.767 -0.321
43 HB3 ASP 7 1HB ASP 7 -1.778 7.418 0.622
44 H ASN 8 H ASN 8 1.951 9.192 -0.878
45 HA ASN 8 HA ASN 8 3.996 8.972 0.143
46 HB2 ASN 8 2HB ASN 8 2.554 9.599 2.038
47 HB3 ASN 8 1HB ASN 8 2.390 7.910 2.473
48 HD21 ASN 8 1HD2 ASN 8 3.365 8.067 4.443
49 HD22 ASN 8 2HD2 ASN 8 5.039 8.427 4.691
50 H ASN 9 H ASN 9 2.744 6.850 -1.249
51 HA ASN 9 HA ASN 9 3.050 4.663 -1.977
52 HB2 ASN 9 2HB ASN 9 5.475 5.599 -1.956
53 HB3 ASN 9 1HB ASN 9 5.649 4.709 -0.447
54 HD21 ASN 9 1HD2 ASN 9 5.927 2.510 -0.531
55 HD22 ASN 9 2HD2 ASN 9 6.180 1.613 -1.965
56 H GLY 10 H GLY 10 1.566 5.060 0.395
57 HA2 GLY 10 2HA GLY 10 0.491 3.729 1.929
58 HA3 GLY 10 1HA GLY 10 1.495 2.386 1.408
59 H GLY 11 H GLY 11 3.521 4.864 2.187
60 HA2 GLY 11 2HA GLY 11 4.733 5.420 4.064
61 HA3 GLY 11 1HA GLY 11 3.657 4.407 5.025
62 H CYS 12 H CYS 12 4.648 2.742 2.350
63 HA CYS 12 HA CYS 12 6.534 1.209 3.971
64 HB2 CYS 12 2HB CYS 12 4.962 0.482 1.489
65 HB3 CYS 12 1HB CYS 12 6.080 -0.598 2.311
66 H SER 13 H SER 13 8.628 0.918 3.296
67 HA SER 13 HA SER 13 9.632 2.803 1.446
68 HB2 SER 13 2HB SER 13 11.785 1.583 2.120
69 HB3 SER 13 1HB SER 13 10.898 2.448 3.379
70 HG SER 13 HG SER 13 11.613 0.248 3.827
71 H HIS 14 H HIS 14 8.486 -0.363 1.172
72 HA HIS 14 HA HIS 14 9.974 -0.711 -1.311
73 HB2 HIS 14 2HB HIS 14 8.732 -2.829 0.458
74 HB3 HIS 14 1HB HIS 14 9.476 -3.146 -1.101
75 HD1 HIS 14 1HD HIS 14 10.291 -2.426 2.447
76 HD2 HIS 14 2HD HIS 14 12.264 -2.917 -1.165
77 HE1 HIS 14 1HE HIS 14 12.718 -2.639 3.033
78 HE2 HIS 14 2HE HIS 14 13.907 -2.780 0.820
79 H VAL 15 H VAL 15 8.317 -2.666 -2.478
80 HA VAL 15 HA VAL 15 6.511 -1.048 -3.803
81 HB VAL 15 HB VAL 15 6.589 -4.068 -3.618
82 HG11 VAL 15 1HG1 VAL 15 5.253 -4.104 -5.665
83 HG12 VAL 15 2HG1 VAL 15 5.106 -2.346 -5.611
84 HG13 VAL 15 3HG1 VAL 15 4.364 -3.331 -4.352
85 HG21 VAL 15 3HG2 VAL 15 7.687 -3.900 -5.814
86 HG22 VAL 15 1HG2 VAL 15 8.599 -3.093 -4.537
87 HG23 VAL 15 2HG2 VAL 15 7.645 -2.143 -5.676
88 H CYS 16 H CYS 16 4.516 -0.409 -3.404
89 HA CYS 16 HA CYS 16 3.035 -1.718 -1.235
90 HB2 CYS 16 2HB CYS 16 3.632 0.808 -1.068
91 HB3 CYS 16 1HB CYS 16 2.502 0.987 -2.410
92 H ASN 17 H ASN 17 1.184 -2.627 -1.821
93 HA ASN 17 HA ASN 17 0.185 -2.072 -4.511
94 HB2 ASN 17 2HB ASN 17 1.284 -4.277 -4.546
95 HB3 ASN 17 1HB ASN 17 0.298 -4.804 -3.190
96 HD21 ASN 17 1HD2 ASN 17 -1.820 -5.419 -3.563
97 HD22 ASN 17 2HD2 ASN 17 -2.469 -5.600 -5.146
98 H ASP 18 H ASP 18 -1.628 -1.129 -4.329
99 HA ASP 18 HA ASP 18 -3.075 -1.034 -1.898
100 HB2 ASP 18 2HB ASP 18 -3.134 0.926 -3.228
101 HB3 ASP 18 1HB ASP 18 -3.689 0.035 -4.640
102 H LEU 19 H LEU 19 -4.675 -2.140 -1.185
103 HA LEU 19 HA LEU 19 -5.895 -4.113 -2.966
104 HB2 LEU 19 2HB LEU 19 -5.767 -4.183 0.041
105 HB3 LEU 19 1HB LEU 19 -6.367 -5.421 -1.021
106 HG LEU 19 HG LEU 19 -3.479 -4.583 -0.857
107 HD11 LEU 19 1HD1 LEU 19 -3.187 -6.799 0.172
108 HD12 LEU 19 2HD1 LEU 19 -4.946 -6.968 0.221
109 HD13 LEU 19 3HD1 LEU 19 -4.155 -5.697 1.148
110 HD21 LEU 19 3HD2 LEU 19 -4.082 -5.384 -3.074
111 HD22 LEU 19 1HD2 LEU 19 -4.824 -6.821 -2.370
112 HD23 LEU 19 2HD2 LEU 19 -3.085 -6.569 -2.235
113 H LYS 20 H LYS 20 -8.169 -4.586 -2.332
114 HA LYS 20 HA LYS 20 -9.657 -2.208 -2.312
115 HB2 LYS 20 2HB LYS 20 -10.509 -5.079 -1.908
116 HB3 LYS 20 1HB LYS 20 -11.653 -3.744 -2.021
117 HG2 LYS 20 2HG LYS 20 -10.883 -3.201 -4.234
118 HG3 LYS 20 1HG LYS 20 -9.629 -4.433 -4.123
119 HD2 LYS 20 2HD LYS 20 -11.289 -6.172 -4.100
120 HD3 LYS 20 1HD LYS 20 -12.583 -4.976 -4.021
121 HE2 LYS 20 2HE LYS 20 -12.312 -5.856 -6.297
122 HE3 LYS 20 1HE LYS 20 -11.980 -4.131 -6.222
123 HZ1 LYS 20 3HZ LYS 20 -9.968 -6.326 -6.413
124 HZ2 LYS 20 1HZ LYS 20 -9.559 -4.698 -6.227
125 HZ3 LYS 20 2HZ LYS 20 -10.359 -5.198 -7.590
126 H ILE 21 H ILE 21 -9.100 -4.576 0.219
127 HA ILE 21 HA ILE 21 -9.692 -2.393 2.009
128 HB ILE 21 HB ILE 21 -9.975 -4.107 3.880
129 HG12 ILE 21 2HG1 ILE 21 -10.963 -6.334 3.078
130 HG13 ILE 21 1HG1 ILE 21 -10.156 -6.035 1.549
131 HG21 ILE 21 1HG2 ILE 21 -12.035 -4.018 1.713
132 HG22 ILE 21 2HG2 ILE 21 -11.830 -2.886 3.051
133 HG23 ILE 21 3HG2 ILE 21 -12.327 -4.547 3.370
134 HD11 ILE 21 3HD1 ILE 21 -7.998 -6.047 2.731
135 HD12 ILE 21 1HD1 ILE 21 -8.881 -7.557 2.947
136 HD13 ILE 21 2HD1 ILE 21 -8.844 -6.365 4.245
137 H GLY 22 H GLY 22 -8.187 -1.545 3.135
138 HA2 GLY 22 2HA GLY 22 -6.084 -1.103 3.876
139 HA3 GLY 22 1HA GLY 22 -5.814 -2.842 3.927
140 H TYR 23 H TYR 23 -3.828 -2.891 3.075
141 HA TYR 23 HA TYR 23 -3.520 -2.857 0.289
142 HB2 TYR 23 2HB TYR 23 -1.726 -1.142 0.180
143 HB3 TYR 23 1HB TYR 23 -3.265 -0.430 0.623
144 HD1 TYR 23 1HD TYR 23 -3.634 0.252 3.034
145 HD2 TYR 23 2HD TYR 23 0.167 -0.948 1.577
146 HE1 TYR 23 1HE TYR 23 -2.560 1.353 4.948
147 HE2 TYR 23 2HE TYR 23 1.248 0.139 3.489
148 HH TYR 23 HH TYR 23 0.783 1.898 5.007
149 H GLU 24 H GLU 24 -1.218 -3.602 -0.200
150 HA GLU 24 HA GLU 24 -0.097 -4.939 2.153
151 HB2 GLU 24 2HB GLU 24 0.501 -6.861 0.808
152 HB3 GLU 24 1HB GLU 24 -1.219 -6.579 0.635
153 HG2 GLU 24 2HG GLU 24 -0.834 -5.567 -1.560
154 HG3 GLU 24 1HG GLU 24 0.899 -5.776 -1.343
155 H CYS 25 H CYS 25 2.177 -5.227 2.084
156 HA CYS 25 HA CYS 25 3.489 -3.496 0.148
157 HB2 CYS 25 2HB CYS 25 4.086 -3.614 3.112
158 HB3 CYS 25 1HB CYS 25 5.049 -2.732 1.927
159 H LEU 26 H LEU 26 5.050 -4.347 -0.869
160 HA LEU 26 HA LEU 26 6.110 -6.948 0.003
161 HB2 LEU 26 2HB LEU 26 5.636 -5.916 -2.793
162 HB3 LEU 26 1HB LEU 26 6.367 -7.455 -2.392
163 HG LEU 26 HG LEU 26 3.505 -6.675 -1.784
164 HD11 LEU 26 1HD1 LEU 26 3.914 -6.947 -4.161
165 HD12 LEU 26 2HD1 LEU 26 2.945 -8.280 -3.528
166 HD13 LEU 26 3HD1 LEU 26 4.662 -8.515 -3.863
167 HD21 LEU 26 3HD2 LEU 26 4.978 -9.292 -1.460
168 HD22 LEU 26 1HD2 LEU 26 3.250 -9.040 -1.200
169 HD23 LEU 26 2HD2 LEU 26 4.424 -8.246 -0.153
170 HN1 NH2 27 1H LEU 26 7.823 -5.974 1.030
171 HN2 NH2 27 2H LEU 26 9.113 -5.198 0.197
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -11.427 5.358 -4.307
2 H2 GLY 1 2HT GLY 1 -12.377 5.094 -2.950
3 H3 GLY 1 3HT GLY 1 -12.714 4.256 -4.409
4 HA2 GLY 1 1HA GLY 1 -11.596 2.831 -2.831
5 HA3 GLY 1 2HA GLY 1 -10.586 3.160 -4.241
6 H THR 2 H THR 2 -10.533 2.952 -0.983
7 HA THR 2 HA THR 2 -8.933 5.237 -0.393
8 HB THR 2 HB THR 2 -9.239 2.744 1.300
9 HG1 THR 2 1HG THR 2 -11.292 3.224 1.406
10 HG21 THR 2 3HG2 THR 2 -7.619 4.442 2.053
11 HG22 THR 2 1HG2 THR 2 -9.008 4.369 3.138
12 HG23 THR 2 2HG2 THR 2 -8.874 5.678 1.965
13 H ASN 3 H ASN 3 -7.244 5.102 -1.749
14 HA ASN 3 HA ASN 3 -5.612 2.718 -1.943
15 HB2 ASN 3 2HB ASN 3 -6.241 4.077 -3.946
16 HB3 ASN 3 1HB ASN 3 -5.317 5.413 -3.282
17 HD21 ASN 3 1HD2 ASN 3 -4.941 4.096 -5.778
18 HD22 ASN 3 2HD2 ASN 3 -3.341 3.450 -5.752
19 H GLU 4 H GLU 4 -4.267 2.450 -0.330
20 HA GLU 4 HA GLU 4 -3.215 4.542 1.276
21 HB2 GLU 4 2HB GLU 4 -2.486 1.636 1.020
22 HB3 GLU 4 1HB GLU 4 -1.665 2.721 2.122
23 HG2 GLU 4 2HG GLU 4 -3.325 1.403 3.286
24 HG3 GLU 4 1HG GLU 4 -3.741 3.107 3.312
25 H CYS 5 H CYS 5 -2.061 2.781 -1.480
26 HA CYS 5 HA CYS 5 0.687 3.428 -1.304
27 HB2 CYS 5 2HB CYS 5 -0.968 2.642 -3.672
28 HB3 CYS 5 1HB CYS 5 0.786 2.578 -3.564
29 H LEU 6 H LEU 6 -2.022 4.965 -2.691
30 HA LEU 6 HA LEU 6 -0.673 6.838 -4.372
31 HB2 LEU 6 2HB LEU 6 -3.202 6.030 -4.094
32 HB3 LEU 6 1HB LEU 6 -3.288 7.445 -3.088
33 HG LEU 6 HG LEU 6 -4.133 7.864 -5.364
34 HD11 LEU 6 1HD1 LEU 6 -2.908 9.897 -5.871
35 HD12 LEU 6 2HD1 LEU 6 -1.635 9.405 -4.750
36 HD13 LEU 6 3HD1 LEU 6 -3.257 9.749 -4.148
37 HD21 LEU 6 3HD2 LEU 6 -1.309 7.320 -6.256
38 HD22 LEU 6 1HD2 LEU 6 -2.620 7.921 -7.264
39 HD23 LEU 6 2HD2 LEU 6 -2.714 6.304 -6.566
40 H ASP 7 H ASP 7 -1.311 6.581 -1.053
41 HA ASP 7 HA ASP 7 -0.648 9.369 -0.457
42 HB2 ASP 7 2HB ASP 7 -2.656 8.415 0.610
43 HB3 ASP 7 1HB ASP 7 -1.657 7.139 1.292
44 H ASN 8 H ASN 8 1.521 9.279 -0.891
45 HA ASN 8 HA ASN 8 3.753 8.998 -0.586
46 HB2 ASN 8 2HB ASN 8 2.796 8.667 2.226
47 HB3 ASN 8 1HB ASN 8 4.506 8.676 1.788
48 HD21 ASN 8 1HD2 ASN 8 2.938 10.577 3.425
49 HD22 ASN 8 2HD2 ASN 8 3.140 12.122 2.681
50 H ASN 9 H ASN 9 2.672 6.883 -1.582
51 HA ASN 9 HA ASN 9 3.052 4.716 -2.210
52 HB2 ASN 9 2HB ASN 9 5.449 5.628 -2.238
53 HB3 ASN 9 1HB ASN 9 5.629 4.923 -0.635
54 HD21 ASN 9 1HD2 ASN 9 6.163 2.819 -0.469
55 HD22 ASN 9 2HD2 ASN 9 6.374 1.730 -1.773
56 H GLY 10 H GLY 10 1.648 5.285 0.263
57 HA2 GLY 10 2HA GLY 10 0.463 3.991 1.737
58 HA3 GLY 10 1HA GLY 10 1.332 2.587 1.141
59 H GLY 11 H GLY 11 3.550 4.867 2.003
60 HA2 GLY 11 2HA GLY 11 4.915 5.104 3.852
61 HA3 GLY 11 1HA GLY 11 3.744 4.174 4.788
62 H CYS 12 H CYS 12 4.530 2.654 1.905
63 HA CYS 12 HA CYS 12 5.944 0.598 3.352
64 HB2 CYS 12 2HB CYS 12 5.169 0.735 0.423
65 HB3 CYS 12 1HB CYS 12 5.702 -0.698 1.287
66 H SER 13 H SER 13 8.089 0.194 3.130
67 HA SER 13 HA SER 13 9.750 2.233 2.004
68 HB2 SER 13 2HB SER 13 10.308 1.073 4.128
69 HB3 SER 13 1HB SER 13 10.482 -0.433 3.232
70 HG SER 13 HG SER 13 12.055 1.089 1.963
71 H HIS 14 H HIS 14 8.389 -0.651 0.866
72 HA HIS 14 HA HIS 14 10.072 -0.567 -1.513
73 HB2 HIS 14 2HB HIS 14 8.923 -3.031 -0.154
74 HB3 HIS 14 1HB HIS 14 9.535 -3.047 -1.795
75 HD1 HIS 14 1HD HIS 14 12.056 -3.200 -2.111
76 HD2 HIS 14 2HD HIS 14 10.903 -2.711 1.847
77 HE1 HIS 14 1HE HIS 14 14.116 -3.589 -0.771
78 HE2 HIS 14 2HE HIS 14 13.460 -3.027 1.583
79 H VAL 15 H VAL 15 8.479 -2.345 -3.025
80 HA VAL 15 HA VAL 15 6.616 -0.637 -4.163
81 HB VAL 15 HB VAL 15 6.497 -3.666 -4.188
82 HG11 VAL 15 1HG1 VAL 15 4.518 -2.648 -5.145
83 HG12 VAL 15 2HG1 VAL 15 5.487 -3.412 -6.407
84 HG13 VAL 15 3HG1 VAL 15 5.519 -1.659 -6.208
85 HG21 VAL 15 3HG2 VAL 15 7.894 -3.557 -6.209
86 HG22 VAL 15 1HG2 VAL 15 8.733 -2.982 -4.768
87 HG23 VAL 15 2HG2 VAL 15 8.106 -1.825 -5.940
88 H CYS 16 H CYS 16 4.500 -0.272 -3.824
89 HA CYS 16 HA CYS 16 3.294 -1.463 -1.450
90 HB2 CYS 16 2HB CYS 16 3.553 1.029 -1.532
91 HB3 CYS 16 1HB CYS 16 2.543 1.034 -2.971
92 H ASN 17 H ASN 17 1.241 -2.335 -1.606
93 HA ASN 17 HA ASN 17 0.115 -2.697 -4.282
94 HB2 ASN 17 2HB ASN 17 1.324 -4.743 -3.629
95 HB3 ASN 17 1HB ASN 17 0.401 -4.827 -2.132
96 HD21 ASN 17 1HD2 ASN 17 -0.460 -6.869 -2.646
97 HD22 ASN 17 2HD2 ASN 17 -1.642 -7.061 -3.881
98 H ASP 18 H ASP 18 -1.631 -1.519 -4.124
99 HA ASP 18 HA ASP 18 -3.014 -1.220 -1.618
100 HB2 ASP 18 2HB ASP 18 -2.915 0.779 -2.891
101 HB3 ASP 18 1HB ASP 18 -3.511 -0.027 -4.336
102 H LEU 19 H LEU 19 -4.449 -2.470 -0.922
103 HA LEU 19 HA LEU 19 -5.898 -4.265 -2.735
104 HB2 LEU 19 2HB LEU 19 -5.544 -4.359 0.245
105 HB3 LEU 19 1HB LEU 19 -6.316 -5.573 -0.719
106 HG LEU 19 HG LEU 19 -3.382 -4.886 -0.840
107 HD11 LEU 19 1HD1 LEU 19 -3.994 -6.034 1.203
108 HD12 LEU 19 2HD1 LEU 19 -3.082 -7.106 0.135
109 HD13 LEU 19 3HD1 LEU 19 -4.832 -7.274 0.272
110 HD21 LEU 19 3HD2 LEU 19 -4.957 -7.034 -2.257
111 HD22 LEU 19 1HD2 LEU 19 -3.204 -6.848 -2.287
112 HD23 LEU 19 2HD2 LEU 19 -4.229 -5.612 -3.008
113 H LYS 20 H LYS 20 -8.103 -4.717 -2.030
114 HA LYS 20 HA LYS 20 -9.569 -2.286 -1.520
115 HB2 LYS 20 2HB LYS 20 -10.480 -5.112 -2.132
116 HB3 LYS 20 1HB LYS 20 -11.617 -3.869 -1.650
117 HG2 LYS 20 2HG LYS 20 -11.626 -4.103 -4.058
118 HG3 LYS 20 1HG LYS 20 -10.966 -2.531 -3.623
119 HD2 LYS 20 2HD LYS 20 -8.683 -3.508 -3.896
120 HD3 LYS 20 1HD LYS 20 -9.439 -4.979 -4.491
121 HE2 LYS 20 2HE LYS 20 -10.405 -3.793 -6.359
122 HE3 LYS 20 1HE LYS 20 -9.813 -2.256 -5.731
123 HZ1 LYS 20 3HZ LYS 20 -8.120 -4.511 -6.686
124 HZ2 LYS 20 1HZ LYS 20 -7.563 -3.103 -5.969
125 HZ3 LYS 20 2HZ LYS 20 -8.330 -3.012 -7.445
126 H ILE 21 H ILE 21 -8.717 -5.186 0.153
127 HA ILE 21 HA ILE 21 -9.977 -4.104 2.544
128 HB ILE 21 HB ILE 21 -10.604 -6.416 2.219
129 HG12 ILE 21 2HG1 ILE 21 -9.707 -7.566 4.252
130 HG13 ILE 21 1HG1 ILE 21 -8.517 -6.281 4.404
131 HG21 ILE 21 1HG2 ILE 21 -7.705 -7.106 1.942
132 HG22 ILE 21 2HG2 ILE 21 -8.981 -7.224 0.721
133 HG23 ILE 21 3HG2 ILE 21 -9.003 -8.284 2.127
134 HD11 ILE 21 3HD1 ILE 21 -10.287 -4.665 4.739
135 HD12 ILE 21 1HD1 ILE 21 -10.398 -5.969 5.917
136 HD13 ILE 21 2HD1 ILE 21 -11.505 -5.927 4.540
137 H GLY 22 H GLY 22 -8.547 -2.448 2.849
138 HA2 GLY 22 2HA GLY 22 -6.734 -1.561 4.060
139 HA3 GLY 22 1HA GLY 22 -6.127 -3.198 4.240
140 H TYR 23 H TYR 23 -4.156 -3.145 3.537
141 HA TYR 23 HA TYR 23 -3.610 -2.681 0.758
142 HB2 TYR 23 2HB TYR 23 -1.884 -1.005 1.031
143 HB3 TYR 23 1HB TYR 23 -3.354 -0.383 1.763
144 HD1 TYR 23 2HD TYR 23 -3.542 -0.562 4.349
145 HD2 TYR 23 1HD TYR 23 0.127 -1.068 2.255
146 HE1 TYR 23 2HE TYR 23 -2.294 -0.129 6.426
147 HE2 TYR 23 1HE TYR 23 1.373 -0.640 4.329
148 HH TYR 23 HH TYR 23 1.006 0.505 6.486
149 H GLU 24 H GLU 24 -1.077 -3.006 0.507
150 HA GLU 24 HA GLU 24 0.003 -4.816 2.486
151 HB2 GLU 24 2HB GLU 24 -1.193 -6.320 1.080
152 HB3 GLU 24 1HB GLU 24 -0.641 -5.514 -0.374
153 HG2 GLU 24 2HG GLU 24 1.602 -6.328 0.002
154 HG3 GLU 24 1HG GLU 24 1.111 -7.076 1.516
155 H CYS 25 H CYS 25 2.172 -4.556 2.627
156 HA CYS 25 HA CYS 25 3.485 -2.941 0.577
157 HB2 CYS 25 2HB CYS 25 4.447 -3.725 3.338
158 HB3 CYS 25 1HB CYS 25 5.302 -2.683 2.215
159 H LEU 26 H LEU 26 4.877 -3.870 -0.779
160 HA LEU 26 HA LEU 26 5.486 -6.704 -0.394
161 HB2 LEU 26 2HB LEU 26 5.518 -4.937 -2.829
162 HB3 LEU 26 1HB LEU 26 5.982 -6.625 -2.829
163 HG LEU 26 HG LEU 26 3.227 -5.608 -2.139
164 HD11 LEU 26 1HD1 LEU 26 3.771 -5.192 -4.476
165 HD12 LEU 26 2HD1 LEU 26 2.605 -6.512 -4.336
166 HD13 LEU 26 3HD1 LEU 26 4.302 -6.861 -4.663
167 HD21 LEU 26 3HD2 LEU 26 3.788 -7.726 -1.079
168 HD22 LEU 26 1HD2 LEU 26 4.292 -8.385 -2.635
169 HD23 LEU 26 2HD2 LEU 26 2.602 -7.958 -2.360
170 HN1 NH2 27 1H LEU 26 7.133 -6.072 1.114
171 HN2 NH2 27 2H LEU 26 8.677 -5.556 0.542
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -9.609 3.142 -5.587
2 H2 GLY 1 2HT GLY 1 -10.273 4.659 -5.887
3 H3 GLY 1 3HT GLY 1 -11.072 3.264 -6.438
4 HA2 GLY 1 1HA GLY 1 -12.104 4.220 -4.466
5 HA3 GLY 1 2HA GLY 1 -11.463 2.607 -4.159
6 H THR 2 H THR 2 -10.957 2.846 -2.009
7 HA THR 2 HA THR 2 -9.407 5.121 -1.230
8 HB THR 2 HB THR 2 -11.094 4.283 0.359
9 HG1 THR 2 1HG THR 2 -8.505 3.822 1.451
10 HG21 THR 2 3HG2 THR 2 -9.416 1.781 0.593
11 HG22 THR 2 1HG2 THR 2 -11.009 1.869 -0.166
12 HG23 THR 2 2HG2 THR 2 -10.832 2.166 1.566
13 H ASN 3 H ASN 3 -7.579 5.060 -2.294
14 HA ASN 3 HA ASN 3 -5.945 2.669 -2.391
15 HB2 ASN 3 2HB ASN 3 -6.255 4.184 -4.378
16 HB3 ASN 3 1HB ASN 3 -5.395 5.435 -3.496
17 HD21 ASN 3 1HD2 ASN 3 -4.613 4.428 -5.980
18 HD22 ASN 3 2HD2 ASN 3 -3.102 3.633 -5.785
19 H GLU 4 H GLU 4 -4.776 2.290 -0.665
20 HA GLU 4 HA GLU 4 -4.000 4.437 1.118
21 HB2 GLU 4 2HB GLU 4 -3.751 1.460 1.254
22 HB3 GLU 4 1HB GLU 4 -2.840 2.470 2.363
23 HG2 GLU 4 2HG GLU 4 -4.907 1.631 3.375
24 HG3 GLU 4 1HG GLU 4 -4.923 3.385 3.249
25 H CYS 5 H CYS 5 -2.582 2.662 -1.426
26 HA CYS 5 HA CYS 5 0.148 3.137 -0.627
27 HB2 CYS 5 2HB CYS 5 -1.039 2.146 -3.190
28 HB3 CYS 5 1HB CYS 5 0.674 2.181 -2.807
29 H LEU 6 H LEU 6 -2.220 4.652 -2.406
30 HA LEU 6 HA LEU 6 -0.789 6.432 -4.055
31 HB2 LEU 6 2HB LEU 6 -3.316 5.986 -3.846
32 HB3 LEU 6 1HB LEU 6 -3.298 7.131 -2.540
33 HG LEU 6 HG LEU 6 -2.564 7.807 -5.403
34 HD11 LEU 6 1HD1 LEU 6 -4.743 8.904 -5.476
35 HD12 LEU 6 2HD1 LEU 6 -5.105 8.285 -3.867
36 HD13 LEU 6 3HD1 LEU 6 -4.894 7.166 -5.216
37 HD21 LEU 6 3HD2 LEU 6 -2.794 10.114 -4.695
38 HD22 LEU 6 1HD2 LEU 6 -1.563 9.295 -3.732
39 HD23 LEU 6 2HD2 LEU 6 -3.164 9.592 -3.045
40 H ASP 7 H ASP 7 -1.685 6.562 -0.678
41 HA ASP 7 HA ASP 7 -0.469 9.196 -0.362
42 HB2 ASP 7 2HB ASP 7 -2.688 8.875 0.594
43 HB3 ASP 7 1HB ASP 7 -2.091 7.527 1.554
44 H ASN 8 H ASN 8 1.627 9.111 -0.147
45 HA ASN 8 HA ASN 8 3.706 8.722 0.631
46 HB2 ASN 8 2HB ASN 8 2.193 7.769 3.047
47 HB3 ASN 8 1HB ASN 8 3.953 7.839 2.949
48 HD21 ASN 8 1HD2 ASN 8 4.942 9.846 2.846
49 HD22 ASN 8 2HD2 ASN 8 4.131 11.294 3.313
50 H ASN 9 H ASN 9 2.332 6.727 -0.814
51 HA ASN 9 HA ASN 9 2.475 4.591 -1.615
52 HB2 ASN 9 2HB ASN 9 4.894 5.402 -1.880
53 HB3 ASN 9 1HB ASN 9 5.260 4.510 -0.407
54 HD21 ASN 9 1HD2 ASN 9 6.608 3.048 -1.315
55 HD22 ASN 9 2HD2 ASN 9 6.146 1.835 -2.435
56 H GLY 10 H GLY 10 1.328 4.967 0.966
57 HA2 GLY 10 2HA GLY 10 0.374 3.642 2.563
58 HA3 GLY 10 1HA GLY 10 1.178 2.262 1.835
59 H GLY 11 H GLY 11 3.582 4.412 2.448
60 HA2 GLY 11 2HA GLY 11 5.018 4.665 4.271
61 HA3 GLY 11 1HA GLY 11 4.007 3.557 5.200
62 H CYS 12 H CYS 12 4.745 2.601 2.025
63 HA CYS 12 HA CYS 12 6.597 0.579 3.024
64 HB2 CYS 12 2HB CYS 12 5.162 0.735 0.358
65 HB3 CYS 12 1HB CYS 12 5.996 -0.661 1.023
66 H SER 13 H SER 13 8.712 0.610 2.320
67 HA SER 13 HA SER 13 9.522 2.836 0.668
68 HB2 SER 13 2HB SER 13 11.154 0.736 2.109
69 HB3 SER 13 1HB SER 13 11.801 2.179 1.320
70 HG SER 13 HG SER 13 10.014 3.164 2.805
71 H HIS 14 H HIS 14 8.735 -0.405 0.311
72 HA HIS 14 HA HIS 14 10.015 -0.495 -2.312
73 HB2 HIS 14 2HB HIS 14 8.980 -2.777 -0.583
74 HB3 HIS 14 1HB HIS 14 9.517 -2.969 -2.246
75 HD1 HIS 14 1HD HIS 14 10.768 -3.148 1.147
76 HD2 HIS 14 2HD HIS 14 12.334 -2.157 -2.566
77 HE1 HIS 14 1HE HIS 14 13.234 -3.277 1.406
78 HE2 HIS 14 2HE HIS 14 14.093 -2.257 -0.721
79 H VAL 15 H VAL 15 8.232 -2.354 -3.495
80 HA VAL 15 HA VAL 15 6.219 -0.570 -4.294
81 HB VAL 15 HB VAL 15 6.321 -3.582 -4.659
82 HG11 VAL 15 1HG1 VAL 15 4.800 -1.514 -6.247
83 HG12 VAL 15 2HG1 VAL 15 4.091 -2.618 -5.076
84 HG13 VAL 15 3HG1 VAL 15 4.831 -3.255 -6.544
85 HG21 VAL 15 3HG2 VAL 15 7.305 -1.364 -6.444
86 HG22 VAL 15 1HG2 VAL 15 7.306 -3.081 -6.842
87 HG23 VAL 15 2HG2 VAL 15 8.315 -2.476 -5.525
88 H CYS 16 H CYS 16 4.127 -0.333 -3.699
89 HA CYS 16 HA CYS 16 3.215 -1.833 -1.354
90 HB2 CYS 16 2HB CYS 16 3.402 0.681 -1.165
91 HB3 CYS 16 1HB CYS 16 2.261 0.783 -2.501
92 H ASN 17 H ASN 17 1.201 -2.811 -1.517
93 HA ASN 17 HA ASN 17 -0.045 -2.701 -4.178
94 HB2 ASN 17 2HB ASN 17 0.888 -4.935 -3.815
95 HB3 ASN 17 1HB ASN 17 0.012 -5.080 -2.301
96 HD21 ASN 17 1HD2 ASN 17 -1.208 -6.858 -2.882
97 HD22 ASN 17 2HD2 ASN 17 -2.397 -6.805 -4.130
98 H ASP 18 H ASP 18 -1.833 -1.637 -4.105
99 HA ASP 18 HA ASP 18 -3.147 -1.173 -1.608
100 HB2 ASP 18 2HB ASP 18 -3.044 0.718 -3.063
101 HB3 ASP 18 1HB ASP 18 -3.737 -0.189 -4.398
102 H LEU 19 H LEU 19 -3.906 -3.005 -0.934
103 HA LEU 19 HA LEU 19 -5.720 -4.683 -2.342
104 HB2 LEU 19 2HB LEU 19 -5.623 -4.237 0.645
105 HB3 LEU 19 1HB LEU 19 -6.229 -5.619 -0.194
106 HG LEU 19 HG LEU 19 -3.308 -4.879 -0.133
107 HD11 LEU 19 1HD1 LEU 19 -4.112 -5.549 2.061
108 HD12 LEU 19 2HD1 LEU 19 -3.079 -6.794 1.358
109 HD13 LEU 19 3HD1 LEU 19 -4.831 -7.000 1.362
110 HD21 LEU 19 3HD2 LEU 19 -3.974 -6.108 -2.140
111 HD22 LEU 19 1HD2 LEU 19 -4.726 -7.346 -1.133
112 HD23 LEU 19 2HD2 LEU 19 -2.979 -7.100 -1.076
113 H LYS 20 H LYS 20 -8.119 -4.765 -1.597
114 HA LYS 20 HA LYS 20 -9.213 -2.177 -1.951
115 HB2 LYS 20 2HB LYS 20 -10.433 -4.344 -2.455
116 HB3 LYS 20 1HB LYS 20 -10.651 -4.544 -0.723
117 HG2 LYS 20 2HG LYS 20 -11.923 -2.452 -0.639
118 HG3 LYS 20 1HG LYS 20 -11.722 -2.270 -2.381
119 HD2 LYS 20 2HD LYS 20 -12.869 -4.455 -2.678
120 HD3 LYS 20 1HD LYS 20 -13.167 -4.483 -0.942
121 HE2 LYS 20 2HE LYS 20 -14.149 -2.382 -2.871
122 HE3 LYS 20 1HE LYS 20 -15.117 -3.678 -2.183
123 HZ1 LYS 20 3HZ LYS 20 -13.843 -1.475 -0.643
124 HZ2 LYS 20 1HZ LYS 20 -14.785 -2.713 0.011
125 HZ3 LYS 20 2HZ LYS 20 -15.454 -1.582 -1.061
126 H ILE 21 H ILE 21 -9.001 -4.301 0.819
127 HA ILE 21 HA ILE 21 -9.508 -2.036 2.568
128 HB ILE 21 HB ILE 21 -10.923 -3.928 3.098
129 HG12 ILE 21 2HG1 ILE 21 -10.285 -4.411 5.463
130 HG13 ILE 21 1HG1 ILE 21 -8.719 -3.678 5.151
131 HG21 ILE 21 1HG2 ILE 21 -9.715 -5.743 2.104
132 HG22 ILE 21 2HG2 ILE 21 -10.076 -6.128 3.788
133 HG23 ILE 21 3HG2 ILE 21 -8.451 -5.620 3.329
134 HD11 ILE 21 3HD1 ILE 21 -11.378 -2.270 4.976
135 HD12 ILE 21 1HD1 ILE 21 -9.797 -1.539 4.700
136 HD13 ILE 21 2HD1 ILE 21 -10.221 -2.142 6.301
137 H GLY 22 H GLY 22 -7.834 -1.000 3.253
138 HA2 GLY 22 2HA GLY 22 -5.727 -0.541 4.010
139 HA3 GLY 22 1HA GLY 22 -5.526 -2.267 4.292
140 H TYR 23 H TYR 23 -3.604 -2.627 3.452
141 HA TYR 23 HA TYR 23 -3.213 -2.747 0.650
142 HB2 TYR 23 2HB TYR 23 -1.310 -1.174 0.546
143 HB3 TYR 23 1HB TYR 23 -2.766 -0.313 1.024
144 HD1 TYR 23 1HD TYR 23 -3.059 0.333 3.439
145 HD2 TYR 23 2HD TYR 23 0.603 -1.255 1.984
146 HE1 TYR 23 1HE TYR 23 -1.919 1.147 5.441
147 HE2 TYR 23 2HE TYR 23 1.753 -0.443 3.991
148 HH TYR 23 HH TYR 23 1.416 1.315 5.658
149 H GLU 24 H GLU 24 -0.635 -3.230 0.470
150 HA GLU 24 HA GLU 24 0.421 -4.442 2.874
151 HB2 GLU 24 2HB GLU 24 0.931 -6.566 1.780
152 HB3 GLU 24 1HB GLU 24 -0.802 -6.286 1.754
153 HG2 GLU 24 2HG GLU 24 -0.678 -5.577 -0.546
154 HG3 GLU 24 1HG GLU 24 1.074 -5.779 -0.535
155 H CYS 25 H CYS 25 2.638 -4.358 2.920
156 HA CYS 25 HA CYS 25 3.942 -2.932 0.756
157 HB2 CYS 25 2HB CYS 25 5.036 -3.929 3.401
158 HB3 CYS 25 1HB CYS 25 5.916 -2.936 2.253
159 H LEU 26 H LEU 26 5.013 -3.984 -0.786
160 HA LEU 26 HA LEU 26 5.207 -6.868 -0.582
161 HB2 LEU 26 2HB LEU 26 5.783 -5.008 -2.887
162 HB3 LEU 26 1HB LEU 26 5.787 -6.756 -2.970
163 HG LEU 26 HG LEU 26 3.355 -5.047 -2.397
164 HD11 LEU 26 1HD1 LEU 26 4.126 -4.792 -4.677
165 HD12 LEU 26 2HD1 LEU 26 2.645 -5.756 -4.642
166 HD13 LEU 26 3HD1 LEU 26 4.210 -6.538 -4.862
167 HD21 LEU 26 3HD2 LEU 26 3.223 -7.244 -1.335
168 HD22 LEU 26 1HD2 LEU 26 3.633 -8.012 -2.870
169 HD23 LEU 26 2HD2 LEU 26 2.113 -7.134 -2.701
170 HN1 NH2 27 1H LEU 26 6.846 -7.119 0.801
171 HN2 NH2 27 2H LEU 26 8.491 -6.706 0.484
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -12.754 4.906 -3.497
2 H2 GLY 1 2HT GLY 1 -13.392 3.347 -3.604
3 H3 GLY 1 3HT GLY 1 -11.722 3.608 -3.758
4 HA2 GLY 1 1HA GLY 1 -13.297 4.150 -1.338
5 HA3 GLY 1 2HA GLY 1 -12.282 2.737 -1.588
6 H THR 2 H THR 2 -10.309 2.923 -0.735
7 HA THR 2 HA THR 2 -9.046 5.522 -0.697
8 HB THR 2 HB THR 2 -9.889 5.430 1.509
9 HG1 THR 2 1HG THR 2 -7.319 4.367 1.937
10 HG21 THR 2 3HG2 THR 2 -9.595 3.532 3.048
11 HG22 THR 2 1HG2 THR 2 -8.817 2.615 1.757
12 HG23 THR 2 2HG2 THR 2 -10.516 3.068 1.616
13 H ASN 3 H ASN 3 -7.250 5.401 -1.752
14 HA ASN 3 HA ASN 3 -5.829 2.857 -1.965
15 HB2 ASN 3 2HB ASN 3 -6.475 4.033 -4.052
16 HB3 ASN 3 1HB ASN 3 -5.515 5.417 -3.557
17 HD21 ASN 3 1HD2 ASN 3 -5.400 3.629 -5.876
18 HD22 ASN 3 2HD2 ASN 3 -3.786 3.045 -5.959
19 H GLU 4 H GLU 4 -4.365 2.585 -0.474
20 HA GLU 4 HA GLU 4 -3.188 4.788 0.947
21 HB2 GLU 4 2HB GLU 4 -2.735 1.816 1.155
22 HB3 GLU 4 1HB GLU 4 -1.939 2.996 2.172
23 HG2 GLU 4 2HG GLU 4 -3.769 1.955 3.345
24 HG3 GLU 4 1HG GLU 4 -4.105 3.660 3.088
25 H CYS 5 H CYS 5 -2.192 2.630 -1.562
26 HA CYS 5 HA CYS 5 0.597 3.001 -1.097
27 HB2 CYS 5 2HB CYS 5 -0.894 1.794 -3.363
28 HB3 CYS 5 1HB CYS 5 0.857 1.755 -3.179
29 H LEU 6 H LEU 6 -1.694 4.587 -2.970
30 HA LEU 6 HA LEU 6 0.346 6.069 -4.401
31 HB2 LEU 6 2HB LEU 6 -2.602 6.016 -4.466
32 HB3 LEU 6 1HB LEU 6 -1.812 7.508 -4.932
33 HG LEU 6 HG LEU 6 -2.372 6.078 -6.893
34 HD11 LEU 6 1HD1 LEU 6 -0.461 7.575 -7.050
35 HD12 LEU 6 2HD1 LEU 6 -0.208 6.108 -7.990
36 HD13 LEU 6 3HD1 LEU 6 0.602 6.305 -6.439
37 HD21 LEU 6 3HD2 LEU 6 -2.173 3.881 -5.824
38 HD22 LEU 6 1HD2 LEU 6 -0.429 4.101 -5.692
39 HD23 LEU 6 2HD2 LEU 6 -1.183 3.972 -7.282
40 H ASP 7 H ASP 7 -1.242 6.275 -1.517
41 HA ASP 7 HA ASP 7 -0.560 9.101 -1.087
42 HB2 ASP 7 2HB ASP 7 -2.796 8.346 -0.344
43 HB3 ASP 7 1HB ASP 7 -2.017 7.160 0.695
44 H ASN 8 H ASN 8 1.626 9.011 -0.962
45 HA ASN 8 HA ASN 8 3.682 8.947 0.029
46 HB2 ASN 8 2HB ASN 8 2.273 9.710 1.916
47 HB3 ASN 8 1HB ASN 8 2.197 8.068 2.518
48 HD21 ASN 8 1HD2 ASN 8 4.156 10.899 2.226
49 HD22 ASN 8 2HD2 ASN 8 5.473 10.401 3.197
50 H ASN 9 H ASN 9 2.491 6.743 -1.180
51 HA ASN 9 HA ASN 9 2.849 4.552 -1.817
52 HB2 ASN 9 2HB ASN 9 5.219 5.474 -1.995
53 HB3 ASN 9 1HB ASN 9 5.525 4.802 -0.401
54 HD21 ASN 9 1HD2 ASN 9 7.038 3.336 -1.004
55 HD22 ASN 9 2HD2 ASN 9 6.734 1.950 -1.974
56 H GLY 10 H GLY 10 1.383 4.888 0.540
57 HA2 GLY 10 2HA GLY 10 0.429 3.538 2.137
58 HA3 GLY 10 1HA GLY 10 1.484 2.249 1.593
59 H GLY 11 H GLY 11 3.285 4.958 2.353
60 HA2 GLY 11 2HA GLY 11 4.549 5.569 4.178
61 HA3 GLY 11 1HA GLY 11 3.630 4.428 5.163
62 H CYS 12 H CYS 12 4.766 3.123 2.253
63 HA CYS 12 HA CYS 12 6.721 1.580 3.742
64 HB2 CYS 12 2HB CYS 12 5.093 1.035 1.298
65 HB3 CYS 12 1HB CYS 12 6.334 -0.063 1.863
66 H SER 13 H SER 13 8.742 1.173 2.876
67 HA SER 13 HA SER 13 9.725 3.052 0.935
68 HB2 SER 13 2HB SER 13 11.886 1.937 1.610
69 HB3 SER 13 1HB SER 13 11.018 2.771 2.908
70 HG SER 13 HG SER 13 11.106 0.940 3.888
71 H HIS 14 H HIS 14 8.657 -0.183 1.103
72 HA HIS 14 HA HIS 14 10.087 -1.046 -1.294
73 HB2 HIS 14 2HB HIS 14 8.144 -2.524 0.500
74 HB3 HIS 14 1HB HIS 14 8.884 -3.227 -0.904
75 HD1 HIS 14 1HD HIS 14 9.399 -2.822 2.673
76 HD2 HIS 14 2HD HIS 14 11.813 -3.427 -0.648
77 HE1 HIS 14 1HE HIS 14 11.543 -3.716 3.564
78 HE2 HIS 14 2HE HIS 14 13.048 -3.910 1.559
79 H VAL 15 H VAL 15 8.352 -2.584 -2.613
80 HA VAL 15 HA VAL 15 6.605 -0.751 -3.926
81 HB VAL 15 HB VAL 15 6.753 -3.785 -4.123
82 HG11 VAL 15 1HG1 VAL 15 5.391 -1.813 -5.957
83 HG12 VAL 15 2HG1 VAL 15 4.589 -2.968 -4.893
84 HG13 VAL 15 3HG1 VAL 15 5.556 -3.545 -6.250
85 HG21 VAL 15 3HG2 VAL 15 7.906 -1.663 -5.924
86 HG22 VAL 15 1HG2 VAL 15 8.000 -3.401 -6.189
87 HG23 VAL 15 2HG2 VAL 15 8.825 -2.672 -4.809
88 H CYS 16 H CYS 16 4.563 -0.258 -3.387
89 HA CYS 16 HA CYS 16 3.331 -1.779 -1.227
90 HB2 CYS 16 2HB CYS 16 3.655 0.704 -0.980
91 HB3 CYS 16 1HB CYS 16 2.592 0.933 -2.352
92 H ASN 17 H ASN 17 1.285 -2.622 -1.469
93 HA ASN 17 HA ASN 17 0.194 -2.761 -4.209
94 HB2 ASN 17 2HB ASN 17 1.238 -4.887 -3.503
95 HB3 ASN 17 1HB ASN 17 0.171 -4.937 -2.098
96 HD21 ASN 17 1HD2 ASN 17 -1.076 -6.638 -2.545
97 HD22 ASN 17 2HD2 ASN 17 -2.038 -6.831 -3.969
98 H ASP 18 H ASP 18 -1.520 -1.487 -4.062
99 HA ASP 18 HA ASP 18 -3.005 -1.227 -1.613
100 HB2 ASP 18 2HB ASP 18 -2.857 0.790 -2.842
101 HB3 ASP 18 1HB ASP 18 -3.392 0.012 -4.327
102 H LEU 19 H LEU 19 -4.366 -2.622 -0.958
103 HA LEU 19 HA LEU 19 -5.884 -4.217 -2.859
104 HB2 LEU 19 2HB LEU 19 -5.891 -4.317 0.161
105 HB3 LEU 19 1HB LEU 19 -6.691 -5.426 -0.905
106 HG LEU 19 HG LEU 19 -3.691 -5.146 -0.734
107 HD11 LEU 19 1HD1 LEU 19 -3.776 -7.309 0.393
108 HD12 LEU 19 2HD1 LEU 19 -5.539 -7.259 0.365
109 HD13 LEU 19 3HD1 LEU 19 -4.639 -6.076 1.314
110 HD21 LEU 19 3HD2 LEU 19 -4.467 -5.885 -2.924
111 HD22 LEU 19 1HD2 LEU 19 -5.448 -7.137 -2.160
112 HD23 LEU 19 2HD2 LEU 19 -3.690 -7.201 -2.048
113 H LYS 20 H LYS 20 -8.224 -4.452 -2.341
114 HA LYS 20 HA LYS 20 -9.449 -1.872 -2.329
115 HB2 LYS 20 2HB LYS 20 -10.273 -3.821 -3.642
116 HB3 LYS 20 1HB LYS 20 -10.753 -4.593 -2.137
117 HG2 LYS 20 2HG LYS 20 -12.304 -2.714 -1.724
118 HG3 LYS 20 1HG LYS 20 -11.858 -2.041 -3.292
119 HD2 LYS 20 2HD LYS 20 -13.128 -4.741 -2.816
120 HD3 LYS 20 1HD LYS 20 -13.954 -3.312 -3.424
121 HE2 LYS 20 2HE LYS 20 -11.697 -4.794 -4.800
122 HE3 LYS 20 1HE LYS 20 -13.398 -4.875 -5.224
123 HZ1 LYS 20 3HZ LYS 20 -13.363 -2.571 -5.848
124 HZ2 LYS 20 1HZ LYS 20 -12.155 -3.394 -6.667
125 HZ3 LYS 20 2HZ LYS 20 -11.755 -2.387 -5.378
126 H ILE 21 H ILE 21 -9.216 -4.563 -0.115
127 HA ILE 21 HA ILE 21 -10.090 -2.749 1.983
128 HB ILE 21 HB ILE 21 -11.777 -4.450 1.845
129 HG12 ILE 21 2HG1 ILE 21 -11.638 -5.612 4.053
130 HG13 ILE 21 1HG1 ILE 21 -9.967 -5.078 4.183
131 HG21 ILE 21 1HG2 ILE 21 -9.628 -6.520 1.920
132 HG22 ILE 21 2HG2 ILE 21 -10.706 -6.126 0.581
133 HG23 ILE 21 3HG2 ILE 21 -11.354 -6.855 2.050
134 HD11 ILE 21 3HD1 ILE 21 -12.384 -3.297 4.014
135 HD12 ILE 21 1HD1 ILE 21 -10.712 -2.754 4.156
136 HD13 ILE 21 2HD1 ILE 21 -11.459 -3.664 5.470
137 H GLY 22 H GLY 22 -8.121 -1.961 2.332
138 HA2 GLY 22 2HA GLY 22 -6.354 -2.042 3.959
139 HA3 GLY 22 1HA GLY 22 -6.254 -3.778 3.661
140 H TYR 23 H TYR 23 -4.051 -3.681 3.202
141 HA TYR 23 HA TYR 23 -3.324 -3.629 0.534
142 HB2 TYR 23 2HB TYR 23 -1.955 -1.671 0.289
143 HB3 TYR 23 1HB TYR 23 -3.508 -1.095 0.864
144 HD1 TYR 23 2HD TYR 23 -3.665 -0.565 3.428
145 HD2 TYR 23 1HD TYR 23 0.013 -1.090 1.360
146 HE1 TYR 23 2HE TYR 23 -2.478 0.645 5.219
147 HE2 TYR 23 1HE TYR 23 1.199 0.110 3.134
148 HH TYR 23 HH TYR 23 0.821 1.657 4.859
149 H GLU 24 H GLU 24 -0.917 -4.023 0.378
150 HA GLU 24 HA GLU 24 0.438 -4.169 2.907
151 HB2 GLU 24 2HB GLU 24 1.353 -6.390 2.662
152 HB3 GLU 24 1HB GLU 24 -0.391 -6.506 2.640
153 HG2 GLU 24 2HG GLU 24 1.041 -6.385 0.042
154 HG3 GLU 24 1HG GLU 24 1.152 -7.866 0.980
155 H CYS 25 H CYS 25 2.802 -4.711 2.503
156 HA CYS 25 HA CYS 25 3.560 -3.424 0.005
157 HB2 CYS 25 2HB CYS 25 4.848 -3.149 2.729
158 HB3 CYS 25 1HB CYS 25 5.386 -2.357 1.243
159 H LEU 26 H LEU 26 4.961 -4.433 -1.169
160 HA LEU 26 HA LEU 26 5.839 -7.077 -0.278
161 HB2 LEU 26 2HB LEU 26 5.622 -5.951 -3.078
162 HB3 LEU 26 1HB LEU 26 6.003 -7.611 -2.661
163 HG LEU 26 HG LEU 26 3.368 -6.202 -2.235
164 HD11 LEU 26 1HD1 LEU 26 2.526 -7.771 -3.902
165 HD12 LEU 26 2HD1 LEU 26 4.156 -8.404 -4.127
166 HD13 LEU 26 3HD1 LEU 26 3.792 -6.733 -4.556
167 HD21 LEU 26 3HD2 LEU 26 4.166 -9.048 -1.607
168 HD22 LEU 26 1HD2 LEU 26 2.522 -8.408 -1.549
169 HD23 LEU 26 2HD2 LEU 26 3.743 -7.789 -0.444
170 HN1 NH2 27 1H LEU 26 7.286 -5.461 -2.998
171 HN2 NH2 27 2H LEU 26 8.808 -5.168 -2.243
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -13.811 5.508 -1.795
2 H2 GLY 1 2HT GLY 1 -13.776 3.874 -1.448
3 H3 GLY 1 3HT GLY 1 -14.461 4.402 -2.892
4 HA2 GLY 1 1HA GLY 1 -12.237 3.488 -3.249
5 HA3 GLY 1 2HA GLY 1 -12.292 5.205 -3.629
6 H THR 2 H THR 2 -10.298 3.089 -2.376
7 HA THR 2 HA THR 2 -9.088 5.046 -0.692
8 HB THR 2 HB THR 2 -10.477 4.040 0.988
9 HG1 THR 2 1HG THR 2 -8.221 2.595 1.661
10 HG21 THR 2 3HG2 THR 2 -10.447 1.625 1.534
11 HG22 THR 2 1HG2 THR 2 -9.397 1.345 0.145
12 HG23 THR 2 2HG2 THR 2 -11.047 1.916 -0.101
13 H ASN 3 H ASN 3 -7.393 5.055 -2.153
14 HA ASN 3 HA ASN 3 -5.871 2.562 -2.433
15 HB2 ASN 3 2HB ASN 3 -6.205 4.135 -4.431
16 HB3 ASN 3 1HB ASN 3 -5.209 5.288 -3.565
17 HD21 ASN 3 1HD2 ASN 3 -4.371 4.551 -5.983
18 HD22 ASN 3 2HD2 ASN 3 -3.035 3.455 -5.909
19 H GLU 4 H GLU 4 -4.945 2.281 -0.465
20 HA GLU 4 HA GLU 4 -4.035 4.378 1.155
21 HB2 GLU 4 2HB GLU 4 -3.447 1.427 1.280
22 HB3 GLU 4 1HB GLU 4 -3.022 2.575 2.530
23 HG2 GLU 4 2HG GLU 4 -4.955 1.514 3.309
24 HG3 GLU 4 1HG GLU 4 -5.509 3.068 2.720
25 H CYS 5 H CYS 5 -2.534 2.532 -1.349
26 HA CYS 5 HA CYS 5 0.186 3.123 -0.570
27 HB2 CYS 5 2HB CYS 5 -0.997 1.920 -3.041
28 HB3 CYS 5 1HB CYS 5 0.721 2.120 -2.757
29 H LEU 6 H LEU 6 -2.223 4.549 -2.334
30 HA LEU 6 HA LEU 6 -0.759 6.123 -4.223
31 HB2 LEU 6 2HB LEU 6 -3.248 5.519 -4.003
32 HB3 LEU 6 1HB LEU 6 -3.353 6.933 -3.003
33 HG LEU 6 HG LEU 6 -2.629 8.340 -4.875
34 HD11 LEU 6 1HD1 LEU 6 -2.546 7.428 -7.142
35 HD12 LEU 6 2HD1 LEU 6 -2.692 5.800 -6.480
36 HD13 LEU 6 3HD1 LEU 6 -1.270 6.778 -6.119
37 HD21 LEU 6 3HD2 LEU 6 -4.663 8.146 -6.216
38 HD22 LEU 6 1HD2 LEU 6 -4.998 8.010 -4.488
39 HD23 LEU 6 2HD2 LEU 6 -4.972 6.566 -5.500
40 H ASP 7 H ASP 7 -1.449 6.366 -0.935
41 HA ASP 7 HA ASP 7 -0.366 9.104 -0.797
42 HB2 ASP 7 2HB ASP 7 -2.580 8.911 0.227
43 HB3 ASP 7 1HB ASP 7 -2.005 7.603 1.255
44 H ASN 8 H ASN 8 1.741 9.045 -0.502
45 HA ASN 8 HA ASN 8 3.768 8.746 0.397
46 HB2 ASN 8 2HB ASN 8 2.184 7.870 2.801
47 HB3 ASN 8 1HB ASN 8 3.941 7.999 2.757
48 HD21 ASN 8 1HD2 ASN 8 0.922 9.753 2.847
49 HD22 ASN 8 2HD2 ASN 8 1.644 11.300 3.080
50 H ASN 9 H ASN 9 2.550 6.664 -1.036
51 HA ASN 9 HA ASN 9 2.789 4.484 -1.726
52 HB2 ASN 9 2HB ASN 9 5.177 5.361 -1.908
53 HB3 ASN 9 1HB ASN 9 5.495 4.600 -0.354
54 HD21 ASN 9 1HD2 ASN 9 6.891 3.125 -1.004
55 HD22 ASN 9 2HD2 ASN 9 6.586 1.786 -2.047
56 H GLY 10 H GLY 10 1.492 4.911 0.767
57 HA2 GLY 10 2HA GLY 10 0.478 3.571 2.336
58 HA3 GLY 10 1HA GLY 10 1.405 2.217 1.710
59 H GLY 11 H GLY 11 3.458 4.743 2.468
60 HA2 GLY 11 2HA GLY 11 4.659 5.287 4.387
61 HA3 GLY 11 1HA GLY 11 3.795 4.032 5.265
62 H CYS 12 H CYS 12 4.768 2.819 2.345
63 HA CYS 12 HA CYS 12 6.975 1.421 3.628
64 HB2 CYS 12 2HB CYS 12 5.150 0.723 1.349
65 HB3 CYS 12 1HB CYS 12 6.471 -0.300 1.886
66 H SER 13 H SER 13 8.898 1.182 2.509
67 HA SER 13 HA SER 13 9.371 3.202 0.500
68 HB2 SER 13 2HB SER 13 10.966 3.016 2.339
69 HB3 SER 13 1HB SER 13 11.287 1.333 1.922
70 HG SER 13 HG SER 13 11.642 2.838 -0.249
71 H HIS 14 H HIS 14 8.762 -0.168 0.667
72 HA HIS 14 HA HIS 14 9.974 -0.568 -1.949
73 HB2 HIS 14 2HB HIS 14 8.891 -2.600 0.010
74 HB3 HIS 14 1HB HIS 14 9.416 -3.020 -1.611
75 HD1 HIS 14 1HD HIS 14 11.938 -3.155 -2.031
76 HD2 HIS 14 2HD HIS 14 10.896 -1.950 1.777
77 HE1 HIS 14 1HE HIS 14 14.074 -3.194 -0.728
78 HE2 HIS 14 2HE HIS 14 13.421 -2.502 1.608
79 H VAL 15 H VAL 15 8.370 -2.598 -2.975
80 HA VAL 15 HA VAL 15 6.372 -1.085 -4.198
81 HB VAL 15 HB VAL 15 6.553 -4.102 -4.043
82 HG11 VAL 15 1HG1 VAL 15 5.133 -2.326 -6.028
83 HG12 VAL 15 2HG1 VAL 15 4.369 -3.344 -4.809
84 HG13 VAL 15 3HG1 VAL 15 5.268 -4.081 -6.135
85 HG21 VAL 15 3HG2 VAL 15 8.612 -3.141 -4.917
86 HG22 VAL 15 1HG2 VAL 15 7.688 -2.201 -6.087
87 HG23 VAL 15 2HG2 VAL 15 7.718 -3.962 -6.198
88 H CYS 16 H CYS 16 4.664 -0.354 -3.242
89 HA CYS 16 HA CYS 16 3.355 -1.841 -1.114
90 HB2 CYS 16 2HB CYS 16 3.721 0.687 -0.986
91 HB3 CYS 16 1HB CYS 16 2.596 0.811 -2.332
92 H ASN 17 H ASN 17 1.465 -2.814 -1.448
93 HA ASN 17 HA ASN 17 0.387 -2.721 -4.170
94 HB2 ASN 17 2HB ASN 17 1.405 -4.890 -3.886
95 HB3 ASN 17 1HB ASN 17 0.579 -5.130 -2.354
96 HD21 ASN 17 1HD2 ASN 17 -1.551 -5.796 -2.364
97 HD22 ASN 17 2HD2 ASN 17 -2.390 -6.266 -3.789
98 H ASP 18 H ASP 18 -1.375 -1.747 -4.215
99 HA ASP 18 HA ASP 18 -2.986 -1.277 -1.943
100 HB2 ASP 18 2HB ASP 18 -2.869 0.451 -3.556
101 HB3 ASP 18 1HB ASP 18 -3.263 -0.647 -4.867
102 H LEU 19 H LEU 19 -4.149 -2.785 -1.070
103 HA LEU 19 HA LEU 19 -5.508 -4.863 -2.598
104 HB2 LEU 19 2HB LEU 19 -5.801 -4.183 0.346
105 HB3 LEU 19 1HB LEU 19 -6.258 -5.649 -0.446
106 HG LEU 19 HG LEU 19 -3.373 -4.814 -0.172
107 HD11 LEU 19 1HD1 LEU 19 -4.968 -6.799 1.420
108 HD12 LEU 19 2HD1 LEU 19 -4.356 -5.254 2.011
109 HD13 LEU 19 3HD1 LEU 19 -3.231 -6.532 1.545
110 HD21 LEU 19 3HD2 LEU 19 -4.662 -7.405 -0.993
111 HD22 LEU 19 1HD2 LEU 19 -2.932 -7.118 -0.812
112 HD23 LEU 19 2HD2 LEU 19 -3.837 -6.271 -2.065
113 H LYS 20 H LYS 20 -8.028 -4.993 -1.710
114 HA LYS 20 HA LYS 20 -9.088 -2.532 -2.698
115 HB2 LYS 20 2HB LYS 20 -10.384 -5.016 -1.593
116 HB3 LYS 20 1HB LYS 20 -11.348 -3.572 -1.850
117 HG2 LYS 20 2HG LYS 20 -11.541 -5.100 -3.740
118 HG3 LYS 20 1HG LYS 20 -10.775 -3.593 -4.228
119 HD2 LYS 20 2HD LYS 20 -8.570 -4.748 -4.058
120 HD3 LYS 20 1HD LYS 20 -9.440 -6.245 -3.711
121 HE2 LYS 20 2HE LYS 20 -10.560 -6.120 -5.868
122 HE3 LYS 20 1HE LYS 20 -9.760 -4.588 -6.211
123 HZ1 LYS 20 3HZ LYS 20 -8.575 -6.347 -7.325
124 HZ2 LYS 20 1HZ LYS 20 -8.420 -7.234 -5.907
125 HZ3 LYS 20 2HZ LYS 20 -7.616 -5.796 -6.082
126 H ILE 21 H ILE 21 -9.198 -4.034 0.457
127 HA ILE 21 HA ILE 21 -9.423 -1.341 1.500
128 HB ILE 21 HB ILE 21 -11.515 -2.453 2.050
129 HG12 ILE 21 2HG1 ILE 21 -11.472 -2.412 4.550
130 HG13 ILE 21 1HG1 ILE 21 -9.719 -2.322 4.478
131 HG21 ILE 21 1HG2 ILE 21 -10.945 -4.752 1.792
132 HG22 ILE 21 2HG2 ILE 21 -11.664 -4.509 3.385
133 HG23 ILE 21 3HG2 ILE 21 -9.918 -4.704 3.222
134 HD11 ILE 21 3HD1 ILE 21 -9.872 -0.182 3.320
135 HD12 ILE 21 1HD1 ILE 21 -10.719 -0.139 4.864
136 HD13 ILE 21 2HD1 ILE 21 -11.632 -0.279 3.363
137 H GLY 22 H GLY 22 -7.605 -0.748 2.327
138 HA2 GLY 22 2HA GLY 22 -5.741 -0.994 3.678
139 HA3 GLY 22 1HA GLY 22 -5.992 -2.743 3.684
140 H TYR 23 H TYR 23 -3.689 -2.751 3.209
141 HA TYR 23 HA TYR 23 -3.123 -2.959 0.416
142 HB2 TYR 23 2HB TYR 23 -1.353 -1.286 0.379
143 HB3 TYR 23 1HB TYR 23 -2.872 -0.515 0.814
144 HD1 TYR 23 2HD TYR 23 -3.283 -0.096 3.355
145 HD2 TYR 23 1HD TYR 23 0.529 -1.016 1.725
146 HE1 TYR 23 2HE TYR 23 -2.209 0.828 5.359
147 HE2 TYR 23 1HE TYR 23 1.603 -0.101 3.716
148 HH TYR 23 HH TYR 23 1.072 1.513 5.423
149 H GLU 24 H GLU 24 -0.766 -3.691 0.228
150 HA GLU 24 HA GLU 24 0.322 -4.635 2.754
151 HB2 GLU 24 2HB GLU 24 0.805 -6.832 1.928
152 HB3 GLU 24 1HB GLU 24 -0.890 -6.541 1.590
153 HG2 GLU 24 2HG GLU 24 -0.269 -6.020 -0.774
154 HG3 GLU 24 1HG GLU 24 1.391 -6.399 -0.356
155 H CYS 25 H CYS 25 2.674 -5.125 2.483
156 HA CYS 25 HA CYS 25 3.753 -3.574 0.258
157 HB2 CYS 25 2HB CYS 25 4.725 -3.539 3.119
158 HB3 CYS 25 1HB CYS 25 5.507 -2.717 1.768
159 H LEU 26 H LEU 26 5.256 -4.489 -0.874
160 HA LEU 26 HA LEU 26 6.064 -7.183 -0.148
161 HB2 LEU 26 2HB LEU 26 6.393 -5.626 -2.699
162 HB3 LEU 26 1HB LEU 26 6.756 -7.325 -2.479
163 HG LEU 26 HG LEU 26 3.981 -6.115 -2.284
164 HD11 LEU 26 1HD1 LEU 26 3.593 -7.256 -4.396
165 HD12 LEU 26 2HD1 LEU 26 5.291 -7.747 -4.442
166 HD13 LEU 26 3HD1 LEU 26 4.864 -6.039 -4.535
167 HD21 LEU 26 3HD2 LEU 26 4.258 -8.079 -0.882
168 HD22 LEU 26 1HD2 LEU 26 4.939 -8.976 -2.239
169 HD23 LEU 26 2HD2 LEU 26 3.252 -8.452 -2.284
170 HN1 NH2 27 1H LEU 26 7.627 -6.746 1.374
171 HN2 NH2 27 2H LEU 26 9.142 -6.005 0.991
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -12.927 4.511 -1.900
2 H2 GLY 1 2HT GLY 1 -13.462 4.160 -3.465
3 H3 GLY 1 3HT GLY 1 -12.473 5.507 -3.168
4 HA2 GLY 1 1HA GLY 1 -11.635 2.725 -2.770
5 HA3 GLY 1 2HA GLY 1 -11.251 3.707 -4.179
6 H THR 2 H THR 2 -10.382 2.893 -1.018
7 HA THR 2 HA THR 2 -8.678 5.210 -0.728
8 HB THR 2 HB THR 2 -8.977 2.818 1.114
9 HG1 THR 2 1HG THR 2 -10.584 4.923 0.588
10 HG21 THR 2 3HG2 THR 2 -6.908 4.109 1.458
11 HG22 THR 2 1HG2 THR 2 -8.023 4.335 2.806
12 HG23 THR 2 2HG2 THR 2 -7.852 5.591 1.579
13 H ASN 3 H ASN 3 -7.164 4.968 -2.274
14 HA ASN 3 HA ASN 3 -5.595 2.537 -2.489
15 HB2 ASN 3 2HB ASN 3 -6.212 3.880 -4.499
16 HB3 ASN 3 1HB ASN 3 -5.350 5.244 -3.833
17 HD21 ASN 3 1HD2 ASN 3 -4.138 1.981 -3.733
18 HD22 ASN 3 2HD2 ASN 3 -2.827 2.243 -4.840
19 H GLU 4 H GLU 4 -4.643 2.436 -0.448
20 HA GLU 4 HA GLU 4 -3.581 4.538 0.994
21 HB2 GLU 4 2HB GLU 4 -2.802 1.630 1.024
22 HB3 GLU 4 1HB GLU 4 -2.081 2.798 2.109
23 HG2 GLU 4 2HG GLU 4 -3.762 1.687 3.336
24 HG3 GLU 4 1HG GLU 4 -4.398 3.280 2.969
25 H CYS 5 H CYS 5 -2.107 2.751 -1.569
26 HA CYS 5 HA CYS 5 0.556 3.504 -1.200
27 HB2 CYS 5 2HB CYS 5 -0.829 2.907 -3.793
28 HB3 CYS 5 1HB CYS 5 0.883 2.882 -3.465
29 H LEU 6 H LEU 6 -2.056 5.232 -2.479
30 HA LEU 6 HA LEU 6 -0.696 7.283 -3.889
31 HB2 LEU 6 2HB LEU 6 -3.316 7.304 -2.451
32 HB3 LEU 6 1HB LEU 6 -2.701 8.742 -3.246
33 HG LEU 6 HG LEU 6 -3.496 6.110 -4.482
34 HD11 LEU 6 1HD1 LEU 6 -4.647 8.882 -4.709
35 HD12 LEU 6 2HD1 LEU 6 -5.314 7.564 -3.757
36 HD13 LEU 6 3HD1 LEU 6 -5.251 7.434 -5.520
37 HD21 LEU 6 3HD2 LEU 6 -1.611 6.989 -5.727
38 HD22 LEU 6 1HD2 LEU 6 -2.365 8.587 -5.786
39 HD23 LEU 6 2HD2 LEU 6 -3.096 7.233 -6.641
40 H ASP 7 H ASP 7 -1.314 6.854 -0.491
41 HA ASP 7 HA ASP 7 -0.160 9.481 0.072
42 HB2 ASP 7 2HB ASP 7 -2.268 8.949 1.243
43 HB3 ASP 7 1HB ASP 7 -1.508 7.517 1.932
44 H ASN 8 H ASN 8 1.921 9.248 -0.201
45 HA ASN 8 HA ASN 8 4.094 8.784 0.205
46 HB2 ASN 8 2HB ASN 8 2.973 7.923 2.862
47 HB3 ASN 8 1HB ASN 8 4.685 7.852 2.456
48 HD21 ASN 8 1HD2 ASN 8 5.108 9.311 4.132
49 HD22 ASN 8 2HD2 ASN 8 4.799 10.997 4.009
50 H ASN 9 H ASN 9 2.657 6.917 -1.163
51 HA ASN 9 HA ASN 9 2.715 4.809 -2.058
52 HB2 ASN 9 2HB ASN 9 5.190 5.461 -2.227
53 HB3 ASN 9 1HB ASN 9 5.448 4.525 -0.760
54 HD21 ASN 9 1HD2 ASN 9 6.693 2.961 -1.590
55 HD22 ASN 9 2HD2 ASN 9 6.246 1.813 -2.774
56 H GLY 10 H GLY 10 1.438 5.108 0.425
57 HA2 GLY 10 2HA GLY 10 0.332 3.700 1.890
58 HA3 GLY 10 1HA GLY 10 1.294 2.358 1.280
59 H GLY 11 H GLY 11 3.256 4.896 2.067
60 HA2 GLY 11 2HA GLY 11 4.587 5.390 3.860
61 HA3 GLY 11 1HA GLY 11 3.639 4.274 4.850
62 H CYS 12 H CYS 12 4.723 3.167 1.764
63 HA CYS 12 HA CYS 12 6.605 1.424 3.139
64 HB2 CYS 12 2HB CYS 12 4.882 1.019 0.718
65 HB3 CYS 12 1HB CYS 12 6.003 -0.183 1.339
66 H SER 13 H SER 13 8.623 1.313 2.409
67 HA SER 13 HA SER 13 9.461 3.147 0.348
68 HB2 SER 13 2HB SER 13 11.086 1.282 2.075
69 HB3 SER 13 1HB SER 13 11.671 2.684 1.176
70 HG SER 13 HG SER 13 11.379 3.445 3.175
71 H HIS 14 H HIS 14 8.499 -0.068 0.545
72 HA HIS 14 HA HIS 14 10.019 -0.781 -1.864
73 HB2 HIS 14 2HB HIS 14 8.619 -2.651 0.099
74 HB3 HIS 14 1HB HIS 14 9.481 -3.161 -1.334
75 HD1 HIS 14 1HD HIS 14 12.049 -3.423 -1.131
76 HD2 HIS 14 2HD HIS 14 10.245 -1.795 2.237
77 HE1 HIS 14 1HE HIS 14 13.810 -3.412 0.637
78 HE2 HIS 14 2HE HIS 14 12.770 -2.230 2.593
79 H VAL 15 H VAL 15 8.298 -2.772 -2.844
80 HA VAL 15 HA VAL 15 6.393 -1.208 -4.175
81 HB VAL 15 HB VAL 15 6.440 -4.228 -3.884
82 HG11 VAL 15 1HG1 VAL 15 4.961 -2.520 -5.892
83 HG12 VAL 15 2HG1 VAL 15 4.230 -3.446 -4.583
84 HG13 VAL 15 3HG1 VAL 15 5.045 -4.282 -5.906
85 HG21 VAL 15 3HG2 VAL 15 7.462 -4.199 -6.123
86 HG22 VAL 15 1HG2 VAL 15 8.462 -3.387 -4.920
87 HG23 VAL 15 2HG2 VAL 15 7.510 -2.436 -6.060
88 H CYS 16 H CYS 16 4.627 -0.380 -3.418
89 HA CYS 16 HA CYS 16 3.250 -1.507 -1.137
90 HB2 CYS 16 2HB CYS 16 3.406 0.980 -1.334
91 HB3 CYS 16 1HB CYS 16 2.545 0.901 -2.859
92 H ASN 17 H ASN 17 1.324 -2.484 -1.235
93 HA ASN 17 HA ASN 17 0.263 -3.192 -3.884
94 HB2 ASN 17 2HB ASN 17 1.550 -5.100 -3.068
95 HB3 ASN 17 1HB ASN 17 0.678 -5.066 -1.538
96 HD21 ASN 17 1HD2 ASN 17 -0.110 -7.135 -1.729
97 HD22 ASN 17 2HD2 ASN 17 -1.307 -7.614 -2.852
98 H ASP 18 H ASP 18 -1.309 -1.813 -3.717
99 HA ASP 18 HA ASP 18 -3.014 -1.552 -1.440
100 HB2 ASP 18 2HB ASP 18 -2.784 0.385 -2.742
101 HB3 ASP 18 1HB ASP 18 -3.148 -0.477 -4.230
102 H LEU 19 H LEU 19 -4.518 -2.837 -0.889
103 HA LEU 19 HA LEU 19 -5.782 -4.504 -2.916
104 HB2 LEU 19 2HB LEU 19 -5.803 -4.813 0.093
105 HB3 LEU 19 1HB LEU 19 -6.486 -5.916 -1.078
106 HG LEU 19 HG LEU 19 -3.537 -5.327 -0.849
107 HD11 LEU 19 1HD1 LEU 19 -4.340 -6.511 1.110
108 HD12 LEU 19 2HD1 LEU 19 -3.362 -7.569 0.098
109 HD13 LEU 19 3HD1 LEU 19 -5.120 -7.715 0.085
110 HD21 LEU 19 3HD2 LEU 19 -5.047 -7.394 -2.453
111 HD22 LEU 19 1HD2 LEU 19 -3.293 -7.243 -2.346
112 HD23 LEU 19 2HD2 LEU 19 -4.238 -5.966 -3.103
113 H LYS 20 H LYS 20 -8.215 -4.897 -2.296
114 HA LYS 20 HA LYS 20 -9.437 -2.332 -2.361
115 HB2 LYS 20 2HB LYS 20 -10.673 -5.058 -1.945
116 HB3 LYS 20 1HB LYS 20 -11.591 -3.587 -2.233
117 HG2 LYS 20 2HG LYS 20 -9.592 -4.773 -4.161
118 HG3 LYS 20 1HG LYS 20 -11.339 -4.995 -4.250
119 HD2 LYS 20 2HD LYS 20 -11.649 -2.604 -4.573
120 HD3 LYS 20 1HD LYS 20 -9.918 -2.328 -4.377
121 HE2 LYS 20 2HE LYS 20 -11.153 -4.006 -6.561
122 HE3 LYS 20 1HE LYS 20 -10.663 -2.325 -6.745
123 HZ1 LYS 20 3HZ LYS 20 -8.972 -3.857 -7.559
124 HZ2 LYS 20 1HZ LYS 20 -8.831 -4.566 -6.041
125 HZ3 LYS 20 2HZ LYS 20 -8.394 -2.949 -6.283
126 H ILE 21 H ILE 21 -9.153 -4.808 0.085
127 HA ILE 21 HA ILE 21 -10.117 -2.896 2.074
128 HB ILE 21 HB ILE 21 -9.661 -5.885 2.310
129 HG12 ILE 21 2HG1 ILE 21 -11.603 -5.438 0.924
130 HG13 ILE 21 1HG1 ILE 21 -12.092 -6.035 2.508
131 HG21 ILE 21 1HG2 ILE 21 -10.843 -3.956 4.295
132 HG22 ILE 21 2HG2 ILE 21 -9.280 -4.762 4.427
133 HG23 ILE 21 3HG2 ILE 21 -10.769 -5.708 4.486
134 HD11 ILE 21 3HD1 ILE 21 -13.532 -4.245 1.705
135 HD12 ILE 21 1HD1 ILE 21 -12.152 -3.155 1.647
136 HD13 ILE 21 2HD1 ILE 21 -12.700 -3.797 3.196
137 H GLY 22 H GLY 22 -8.550 -1.764 2.833
138 HA2 GLY 22 2HA GLY 22 -6.527 -1.180 3.783
139 HA3 GLY 22 1HA GLY 22 -6.275 -2.897 4.081
140 H TYR 23 H TYR 23 -4.226 -3.125 3.453
141 HA TYR 23 HA TYR 23 -3.599 -3.444 0.717
142 HB2 TYR 23 2HB TYR 23 -1.994 -1.680 0.392
143 HB3 TYR 23 1HB TYR 23 -3.452 -0.890 0.977
144 HD1 TYR 23 1HD TYR 23 -3.440 -0.703 3.730
145 HD2 TYR 23 2HD TYR 23 -0.015 -0.929 1.219
146 HE1 TYR 23 1HE TYR 23 -2.087 0.366 5.480
147 HE2 TYR 23 2HE TYR 23 1.338 0.131 2.961
148 HH TYR 23 HH TYR 23 0.967 1.619 4.841
149 H GLU 24 H GLU 24 -0.985 -3.705 0.699
150 HA GLU 24 HA GLU 24 0.213 -4.266 3.229
151 HB2 GLU 24 2HB GLU 24 0.785 -6.554 2.822
152 HB3 GLU 24 1HB GLU 24 -0.946 -6.441 2.567
153 HG2 GLU 24 2HG GLU 24 -0.556 -6.401 0.115
154 HG3 GLU 24 1HG GLU 24 1.166 -6.519 0.434
155 H CYS 25 H CYS 25 2.606 -4.885 2.666
156 HA CYS 25 HA CYS 25 3.219 -3.780 0.056
157 HB2 CYS 25 2HB CYS 25 4.561 -2.953 2.627
158 HB3 CYS 25 1HB CYS 25 5.106 -2.498 1.012
159 H LEU 26 H LEU 26 5.171 -4.392 -0.831
160 HA LEU 26 HA LEU 26 6.089 -6.982 0.189
161 HB2 LEU 26 2HB LEU 26 5.780 -6.062 -2.667
162 HB3 LEU 26 1HB LEU 26 6.342 -7.638 -2.149
163 HG LEU 26 HG LEU 26 3.545 -6.551 -1.712
164 HD11 LEU 26 1HD1 LEU 26 2.880 -8.227 -3.341
165 HD12 LEU 26 2HD1 LEU 26 4.575 -8.659 -3.591
166 HD13 LEU 26 3HD1 LEU 26 3.999 -7.053 -4.038
167 HD21 LEU 26 3HD2 LEU 26 3.029 -8.811 -0.947
168 HD22 LEU 26 1HD2 LEU 26 4.258 -8.053 0.066
169 HD23 LEU 26 2HD2 LEU 26 4.728 -9.262 -1.127
170 HN1 NH2 27 1H LEU 26 7.973 -6.473 1.058
171 HN2 NH2 27 2H LEU 26 9.256 -5.590 0.311
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -11.881 4.786 -3.700
2 H2 GLY 1 2HT GLY 1 -12.527 3.295 -4.167
3 H3 GLY 1 3HT GLY 1 -10.869 3.606 -4.323
4 HA2 GLY 1 1HA GLY 1 -12.290 3.487 -1.754
5 HA3 GLY 1 2HA GLY 1 -11.276 2.211 -2.427
6 H THR 2 H THR 2 -10.441 2.977 -0.104
7 HA THR 2 HA THR 2 -8.731 5.235 -0.064
8 HB THR 2 HB THR 2 -8.696 2.755 1.684
9 HG1 THR 2 1HG THR 2 -9.941 4.638 2.945
10 HG21 THR 2 3HG2 THR 2 -7.764 4.271 3.383
11 HG22 THR 2 1HG2 THR 2 -7.828 5.606 2.230
12 HG23 THR 2 2HG2 THR 2 -6.747 4.243 1.945
13 H ASN 3 H ASN 3 -7.228 5.113 -1.698
14 HA ASN 3 HA ASN 3 -5.725 2.646 -2.131
15 HB2 ASN 3 2HB ASN 3 -6.725 4.012 -3.994
16 HB3 ASN 3 1HB ASN 3 -5.556 5.271 -3.635
17 HD21 ASN 3 1HD2 ASN 3 -3.341 3.501 -3.198
18 HD22 ASN 3 2HD2 ASN 3 -2.940 2.772 -4.727
19 H GLU 4 H GLU 4 -4.679 2.719 -0.104
20 HA GLU 4 HA GLU 4 -3.292 4.825 1.011
21 HB2 GLU 4 2HB GLU 4 -2.635 1.892 1.278
22 HB3 GLU 4 1HB GLU 4 -2.006 3.156 2.311
23 HG2 GLU 4 2HG GLU 4 -3.696 2.354 3.613
24 HG3 GLU 4 1HG GLU 4 -4.551 3.624 2.753
25 H CYS 5 H CYS 5 -2.131 2.509 -1.337
26 HA CYS 5 HA CYS 5 0.610 3.020 -1.148
27 HB2 CYS 5 2HB CYS 5 -0.999 2.154 -3.492
28 HB3 CYS 5 1HB CYS 5 0.753 2.096 -3.396
29 H LEU 6 H LEU 6 -1.782 4.890 -2.629
30 HA LEU 6 HA LEU 6 0.028 6.436 -4.270
31 HB2 LEU 6 2HB LEU 6 -2.872 6.425 -3.780
32 HB3 LEU 6 1HB LEU 6 -2.160 7.957 -4.228
33 HG LEU 6 HG LEU 6 -3.184 6.544 -6.101
34 HD11 LEU 6 1HD1 LEU 6 -1.688 8.404 -6.569
35 HD12 LEU 6 2HD1 LEU 6 -1.385 7.082 -7.696
36 HD13 LEU 6 3HD1 LEU 6 -0.287 7.359 -6.343
37 HD21 LEU 6 3HD2 LEU 6 -1.767 4.789 -7.070
38 HD22 LEU 6 1HD2 LEU 6 -2.311 4.366 -5.448
39 HD23 LEU 6 2HD2 LEU 6 -0.661 4.931 -5.705
40 H ASP 7 H ASP 7 -0.980 6.519 -1.082
41 HA ASP 7 HA ASP 7 0.005 9.277 -0.777
42 HB2 ASP 7 2HB ASP 7 -2.260 8.906 0.114
43 HB3 ASP 7 1HB ASP 7 -1.641 7.621 1.148
44 H ASN 8 H ASN 8 2.125 9.224 -0.412
45 HA ASN 8 HA ASN 8 4.164 8.777 0.487
46 HB2 ASN 8 2HB ASN 8 2.476 7.847 2.817
47 HB3 ASN 8 1HB ASN 8 4.238 7.881 2.822
48 HD21 ASN 8 1HD2 ASN 8 1.323 9.814 2.808
49 HD22 ASN 8 2HD2 ASN 8 2.069 11.308 3.199
50 H ASN 9 H ASN 9 2.915 6.941 -1.110
51 HA ASN 9 HA ASN 9 2.927 4.853 -1.967
52 HB2 ASN 9 2HB ASN 9 5.374 5.593 -2.060
53 HB3 ASN 9 1HB ASN 9 5.620 4.577 -0.641
54 HD21 ASN 9 1HD2 ASN 9 5.726 2.442 -0.899
55 HD22 ASN 9 2HD2 ASN 9 5.761 1.581 -2.387
56 H GLY 10 H GLY 10 1.507 5.000 0.373
57 HA2 GLY 10 2HA GLY 10 0.311 3.460 1.598
58 HA3 GLY 10 1HA GLY 10 1.419 2.207 1.061
59 H GLY 11 H GLY 11 3.260 4.658 2.180
60 HA2 GLY 11 2HA GLY 11 4.158 5.161 4.267
61 HA3 GLY 11 1HA GLY 11 3.148 3.906 4.987
62 H CYS 12 H CYS 12 4.526 2.826 2.175
63 HA CYS 12 HA CYS 12 6.704 1.474 3.596
64 HB2 CYS 12 2HB CYS 12 4.987 0.546 1.270
65 HB3 CYS 12 1HB CYS 12 6.296 -0.382 1.972
66 H SER 13 H SER 13 8.673 1.856 2.739
67 HA SER 13 HA SER 13 8.885 3.693 0.571
68 HB2 SER 13 2HB SER 13 11.046 2.165 2.024
69 HB3 SER 13 1HB SER 13 11.272 3.599 1.018
70 HG SER 13 HG SER 13 9.531 4.423 2.623
71 H HIS 14 H HIS 14 9.158 0.257 0.992
72 HA HIS 14 HA HIS 14 10.063 -0.081 -1.740
73 HB2 HIS 14 2HB HIS 14 9.722 -2.554 -1.385
74 HB3 HIS 14 1HB HIS 14 10.968 -1.840 -0.425
75 HD1 HIS 14 1HD HIS 14 7.197 -2.495 0.137
76 HD2 HIS 14 2HD HIS 14 10.880 -3.088 1.980
77 HE1 HIS 14 1HE HIS 14 6.714 -3.613 2.339
78 HE2 HIS 14 2HE HIS 14 8.898 -3.639 3.518
79 H VAL 15 H VAL 15 8.664 -2.223 -2.620
80 HA VAL 15 HA VAL 15 6.565 -0.918 -3.896
81 HB VAL 15 HB VAL 15 6.964 -3.906 -3.604
82 HG11 VAL 15 1HG1 VAL 15 5.657 -4.077 -5.672
83 HG12 VAL 15 2HG1 VAL 15 5.355 -2.341 -5.621
84 HG13 VAL 15 3HG1 VAL 15 4.708 -3.385 -4.357
85 HG21 VAL 15 3HG2 VAL 15 8.898 -2.711 -4.558
86 HG22 VAL 15 1HG2 VAL 15 7.848 -2.020 -5.787
87 HG23 VAL 15 2HG2 VAL 15 8.123 -3.764 -5.740
88 H CYS 16 H CYS 16 4.491 -0.682 -3.538
89 HA CYS 16 HA CYS 16 3.267 -1.886 -1.176
90 HB2 CYS 16 2HB CYS 16 3.529 0.611 -1.110
91 HB3 CYS 16 1HB CYS 16 2.591 0.740 -2.582
92 H ASN 17 H ASN 17 1.136 -2.654 -1.486
93 HA ASN 17 HA ASN 17 0.222 -2.976 -4.246
94 HB2 ASN 17 2HB ASN 17 1.348 -5.043 -3.574
95 HB3 ASN 17 1HB ASN 17 0.353 -5.140 -2.125
96 HD21 ASN 17 1HD2 ASN 17 -0.479 -7.172 -2.723
97 HD22 ASN 17 2HD2 ASN 17 -1.596 -7.351 -4.008
98 H ASP 18 H ASP 18 -1.506 -1.738 -4.170
99 HA ASP 18 HA ASP 18 -3.036 -1.440 -1.771
100 HB2 ASP 18 2HB ASP 18 -2.901 0.536 -3.062
101 HB3 ASP 18 1HB ASP 18 -3.431 -0.286 -4.522
102 H LEU 19 H LEU 19 -4.482 -2.647 -1.078
103 HA LEU 19 HA LEU 19 -5.954 -4.426 -2.873
104 HB2 LEU 19 2HB LEU 19 -5.870 -4.413 0.134
105 HB3 LEU 19 1HB LEU 19 -6.506 -5.663 -0.894
106 HG LEU 19 HG LEU 19 -3.594 -4.944 -0.629
107 HD11 LEU 19 1HD1 LEU 19 -4.459 -6.019 1.340
108 HD12 LEU 19 2HD1 LEU 19 -3.431 -7.136 0.435
109 HD13 LEU 19 3HD1 LEU 19 -5.186 -7.288 0.355
110 HD21 LEU 19 3HD2 LEU 19 -3.171 -6.906 -1.985
111 HD22 LEU 19 1HD2 LEU 19 -4.164 -5.756 -2.874
112 HD23 LEU 19 2HD2 LEU 19 -4.901 -7.195 -2.160
113 H LYS 20 H LYS 20 -8.331 -4.630 -2.205
114 HA LYS 20 HA LYS 20 -9.491 -2.038 -2.110
115 HB2 LYS 20 2HB LYS 20 -10.621 -3.940 -3.210
116 HB3 LYS 20 1HB LYS 20 -10.800 -4.733 -1.650
117 HG2 LYS 20 2HG LYS 20 -12.206 -2.891 -0.882
118 HG3 LYS 20 1HG LYS 20 -12.040 -2.114 -2.456
119 HD2 LYS 20 2HD LYS 20 -13.098 -4.063 -3.507
120 HD3 LYS 20 1HD LYS 20 -13.284 -4.808 -1.917
121 HE2 LYS 20 2HE LYS 20 -14.669 -2.931 -1.197
122 HE3 LYS 20 1HE LYS 20 -14.491 -2.178 -2.775
123 HZ1 LYS 20 3HZ LYS 20 -15.595 -4.138 -3.738
124 HZ2 LYS 20 1HZ LYS 20 -16.565 -3.316 -2.609
125 HZ3 LYS 20 2HZ LYS 20 -15.805 -4.752 -2.173
126 H ILE 21 H ILE 21 -9.202 -4.661 0.174
127 HA ILE 21 HA ILE 21 -10.046 -2.874 2.315
128 HB ILE 21 HB ILE 21 -9.632 -5.879 2.350
129 HG12 ILE 21 2HG1 ILE 21 -11.588 -5.321 1.032
130 HG13 ILE 21 1HG1 ILE 21 -12.075 -5.980 2.592
131 HG21 ILE 21 1HG2 ILE 21 -9.197 -4.905 4.539
132 HG22 ILE 21 2HG2 ILE 21 -10.712 -5.812 4.562
133 HG23 ILE 21 3HG2 ILE 21 -10.739 -4.054 4.483
134 HD11 ILE 21 3HD1 ILE 21 -13.506 -4.132 1.967
135 HD12 ILE 21 1HD1 ILE 21 -12.106 -3.068 1.820
136 HD13 ILE 21 2HD1 ILE 21 -12.554 -3.718 3.393
137 H GLY 22 H GLY 22 -8.480 -1.765 2.987
138 HA2 GLY 22 2HA GLY 22 -6.491 -1.195 3.975
139 HA3 GLY 22 1HA GLY 22 -6.150 -2.914 4.151
140 H TYR 23 H TYR 23 -4.104 -2.945 3.436
141 HA TYR 23 HA TYR 23 -3.726 -2.851 0.625
142 HB2 TYR 23 2HB TYR 23 -1.889 -1.230 0.615
143 HB3 TYR 23 1HB TYR 23 -3.332 -0.453 1.243
144 HD1 TYR 23 2HD TYR 23 -3.511 -0.217 3.814
145 HD2 TYR 23 1HD TYR 23 0.109 -1.185 1.814
146 HE1 TYR 23 2HE TYR 23 -2.233 0.497 5.790
147 HE2 TYR 23 1HE TYR 23 1.388 -0.477 3.779
148 HH TYR 23 HH TYR 23 -0.012 -0.027 6.759
149 H GLU 24 H GLU 24 -1.208 -3.280 0.350
150 HA GLU 24 HA GLU 24 -0.220 -5.042 2.419
151 HB2 GLU 24 2HB GLU 24 -1.570 -6.427 0.941
152 HB3 GLU 24 1HB GLU 24 -0.799 -5.749 -0.475
153 HG2 GLU 24 2HG GLU 24 1.280 -6.860 0.128
154 HG3 GLU 24 1HG GLU 24 0.526 -7.487 1.595
155 H CYS 25 H CYS 25 2.101 -5.227 2.187
156 HA CYS 25 HA CYS 25 3.258 -3.524 0.107
157 HB2 CYS 25 2HB CYS 25 4.114 -3.620 3.015
158 HB3 CYS 25 1HB CYS 25 5.034 -2.863 1.717
159 H LEU 26 H LEU 26 5.000 -4.328 -0.930
160 HA LEU 26 HA LEU 26 5.725 -7.069 -0.148
161 HB2 LEU 26 2HB LEU 26 5.278 -5.994 -2.930
162 HB3 LEU 26 1HB LEU 26 5.761 -7.633 -2.524
163 HG LEU 26 HG LEU 26 3.150 -6.335 -1.816
164 HD11 LEU 26 1HD1 LEU 26 2.199 -7.852 -3.492
165 HD12 LEU 26 2HD1 LEU 26 3.830 -8.394 -3.903
166 HD13 LEU 26 3HD1 LEU 26 3.355 -6.722 -4.199
167 HD21 LEU 26 3HD2 LEU 26 2.469 -8.620 -1.168
168 HD22 LEU 26 1HD2 LEU 26 3.800 -8.005 -0.185
169 HD23 LEU 26 2HD2 LEU 26 4.124 -9.168 -1.468
170 HN1 NH2 27 1H LEU 26 7.006 -5.818 -3.034
171 HN2 NH2 27 2H LEU 26 8.552 -5.379 -2.418
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -12.292 4.471 -4.746
2 H2 GLY 1 2HT GLY 1 -13.017 2.979 -5.048
3 H3 GLY 1 3HT GLY 1 -11.327 3.130 -5.095
4 HA2 GLY 1 1HA GLY 1 -13.036 3.445 -2.717
5 HA3 GLY 1 2HA GLY 1 -11.975 2.086 -3.072
6 H THR 2 H THR 2 -10.829 2.558 -1.112
7 HA THR 2 HA THR 2 -9.460 5.098 -1.125
8 HB THR 2 HB THR 2 -10.609 4.768 0.917
9 HG1 THR 2 1HG THR 2 -7.979 4.042 1.632
10 HG21 THR 2 3HG2 THR 2 -9.232 2.108 1.125
11 HG22 THR 2 1HG2 THR 2 -10.955 2.372 0.864
12 HG23 THR 2 2HG2 THR 2 -10.210 2.832 2.402
13 H ASN 3 H ASN 3 -7.544 5.227 -1.834
14 HA ASN 3 HA ASN 3 -5.882 2.820 -2.158
15 HB2 ASN 3 2HB ASN 3 -6.672 4.333 -4.119
16 HB3 ASN 3 1HB ASN 3 -5.529 5.488 -3.485
17 HD21 ASN 3 1HD2 ASN 3 -3.684 3.038 -2.792
18 HD22 ASN 3 2HD2 ASN 3 -2.993 2.736 -4.341
19 H GLU 4 H GLU 4 -4.580 2.734 -0.428
20 HA GLU 4 HA GLU 4 -3.782 5.032 1.086
21 HB2 GLU 4 2HB GLU 4 -3.044 2.105 1.271
22 HB3 GLU 4 1HB GLU 4 -2.476 3.325 2.390
23 HG2 GLU 4 2HG GLU 4 -4.300 2.049 3.359
24 HG3 GLU 4 1HG GLU 4 -4.774 3.722 3.132
25 H CYS 5 H CYS 5 -2.343 2.783 -1.183
26 HA CYS 5 HA CYS 5 0.356 3.410 -0.943
27 HB2 CYS 5 2HB CYS 5 -1.172 2.542 -3.365
28 HB3 CYS 5 1HB CYS 5 0.576 2.602 -3.267
29 H LEU 6 H LEU 6 -2.081 5.226 -2.516
30 HA LEU 6 HA LEU 6 -0.545 6.702 -4.337
31 HB2 LEU 6 2HB LEU 6 -3.071 7.446 -2.919
32 HB3 LEU 6 1HB LEU 6 -2.313 8.501 -4.095
33 HG LEU 6 HG LEU 6 -3.434 5.743 -4.582
34 HD11 LEU 6 1HD1 LEU 6 -5.076 6.922 -5.937
35 HD12 LEU 6 2HD1 LEU 6 -4.343 8.460 -5.482
36 HD13 LEU 6 3HD1 LEU 6 -5.120 7.460 -4.258
37 HD21 LEU 6 3HD2 LEU 6 -1.503 6.095 -6.032
38 HD22 LEU 6 1HD2 LEU 6 -2.139 7.670 -6.517
39 HD23 LEU 6 2HD2 LEU 6 -2.993 6.196 -6.960
40 H ASP 7 H ASP 7 -1.054 7.354 -0.913
41 HA ASP 7 HA ASP 7 0.769 9.635 -1.244
42 HB2 ASP 7 2HB ASP 7 -1.410 10.326 -0.421
43 HB3 ASP 7 1HB ASP 7 -1.311 9.152 0.884
44 H ASN 8 H ASN 8 2.701 9.515 -0.419
45 HA ASN 8 HA ASN 8 4.562 8.855 0.685
46 HB2 ASN 8 2HB ASN 8 3.186 9.488 2.621
47 HB3 ASN 8 1HB ASN 8 2.649 7.830 2.791
48 HD21 ASN 8 1HD2 ASN 8 6.002 8.729 2.005
49 HD22 ASN 8 2HD2 ASN 8 6.674 8.148 3.468
50 H ASN 9 H ASN 9 2.970 7.129 -0.961
51 HA ASN 9 HA ASN 9 2.944 5.027 -1.917
52 HB2 ASN 9 2HB ASN 9 5.467 5.487 -1.885
53 HB3 ASN 9 1HB ASN 9 5.534 4.526 -0.414
54 HD21 ASN 9 1HD2 ASN 9 6.764 2.899 -1.203
55 HD22 ASN 9 2HD2 ASN 9 6.268 1.801 -2.422
56 H GLY 10 H GLY 10 1.612 5.475 0.568
57 HA2 GLY 10 2HA GLY 10 0.328 4.243 2.016
58 HA3 GLY 10 1HA GLY 10 0.990 2.785 1.290
59 H GLY 11 H GLY 11 3.468 4.798 2.264
60 HA2 GLY 11 2HA GLY 11 4.726 4.913 4.215
61 HA3 GLY 11 1HA GLY 11 3.616 3.775 4.975
62 H CYS 12 H CYS 12 4.346 2.596 1.966
63 HA CYS 12 HA CYS 12 6.046 0.571 3.112
64 HB2 CYS 12 2HB CYS 12 4.982 0.874 0.296
65 HB3 CYS 12 1HB CYS 12 5.739 -0.562 0.970
66 H SER 13 H SER 13 8.188 0.562 2.919
67 HA SER 13 HA SER 13 9.530 2.598 1.424
68 HB2 SER 13 2HB SER 13 10.617 0.216 2.941
69 HB3 SER 13 1HB SER 13 11.570 1.583 2.359
70 HG SER 13 HG SER 13 9.660 2.672 3.712
71 H HIS 14 H HIS 14 8.495 -0.596 0.957
72 HA HIS 14 HA HIS 14 10.109 -0.906 -1.471
73 HB2 HIS 14 2HB HIS 14 8.479 -2.885 0.107
74 HB3 HIS 14 1HB HIS 14 9.210 -3.290 -1.422
75 HD1 HIS 14 1HD HIS 14 11.814 -3.629 -1.427
76 HD2 HIS 14 2HD HIS 14 10.191 -2.821 2.311
77 HE1 HIS 14 1HE HIS 14 13.579 -4.234 0.215
78 HE2 HIS 14 2HE HIS 14 12.687 -3.423 2.409
79 H VAL 15 H VAL 15 8.428 -2.538 -2.966
80 HA VAL 15 HA VAL 15 6.613 -0.782 -4.121
81 HB VAL 15 HB VAL 15 6.640 -3.826 -4.234
82 HG11 VAL 15 1HG1 VAL 15 5.154 -1.892 -6.019
83 HG12 VAL 15 2HG1 VAL 15 4.422 -2.994 -4.854
84 HG13 VAL 15 3HG1 VAL 15 5.272 -3.636 -6.260
85 HG21 VAL 15 3HG2 VAL 15 7.632 -1.776 -6.206
86 HG22 VAL 15 1HG2 VAL 15 7.744 -3.522 -6.379
87 HG23 VAL 15 2HG2 VAL 15 8.661 -2.689 -5.115
88 H CYS 16 H CYS 16 4.545 -0.248 -3.688
89 HA CYS 16 HA CYS 16 3.274 -1.500 -1.372
90 HB2 CYS 16 2HB CYS 16 3.528 1.056 -1.555
91 HB3 CYS 16 1HB CYS 16 2.405 0.930 -2.908
92 H ASN 17 H ASN 17 1.418 -2.614 -1.641
93 HA ASN 17 HA ASN 17 0.202 -2.697 -4.316
94 HB2 ASN 17 2HB ASN 17 1.430 -4.815 -3.859
95 HB3 ASN 17 1HB ASN 17 0.507 -5.004 -2.372
96 HD21 ASN 17 1HD2 ASN 17 -0.427 -6.967 -3.004
97 HD22 ASN 17 2HD2 ASN 17 -1.595 -7.048 -4.263
98 H ASP 18 H ASP 18 -1.757 -1.877 -4.158
99 HA ASP 18 HA ASP 18 -2.870 -1.552 -1.495
100 HB2 ASP 18 2HB ASP 18 -2.669 0.219 -3.434
101 HB3 ASP 18 1HB ASP 18 -4.191 -0.506 -3.944
102 H LEU 19 H LEU 19 -4.646 -2.589 -0.804
103 HA LEU 19 HA LEU 19 -5.963 -4.391 -2.713
104 HB2 LEU 19 2HB LEU 19 -5.747 -4.756 0.274
105 HB3 LEU 19 1HB LEU 19 -6.431 -5.872 -0.865
106 HG LEU 19 HG LEU 19 -3.499 -5.165 -0.709
107 HD11 LEU 19 1HD1 LEU 19 -4.225 -6.485 1.191
108 HD12 LEU 19 2HD1 LEU 19 -3.218 -7.447 0.110
109 HD13 LEU 19 3HD1 LEU 19 -4.969 -7.663 0.109
110 HD21 LEU 19 3HD2 LEU 19 -4.948 -7.191 -2.422
111 HD22 LEU 19 1HD2 LEU 19 -3.197 -7.015 -2.299
112 HD23 LEU 19 2HD2 LEU 19 -4.166 -5.715 -2.989
113 H LYS 20 H LYS 20 -8.263 -4.856 -2.036
114 HA LYS 20 HA LYS 20 -9.796 -2.522 -1.930
115 HB2 LYS 20 2HB LYS 20 -10.683 -4.705 -2.684
116 HB3 LYS 20 1HB LYS 20 -10.606 -5.283 -1.025
117 HG2 LYS 20 2HG LYS 20 -12.237 -3.530 -0.380
118 HG3 LYS 20 1HG LYS 20 -12.368 -3.069 -2.075
119 HD2 LYS 20 2HD LYS 20 -14.214 -4.521 -1.479
120 HD3 LYS 20 1HD LYS 20 -13.139 -5.356 -2.600
121 HE2 LYS 20 2HE LYS 20 -12.092 -6.526 -0.694
122 HE3 LYS 20 1HE LYS 20 -13.200 -5.698 0.399
123 HZ1 LYS 20 3HZ LYS 20 -13.980 -7.553 -1.769
124 HZ2 LYS 20 1HZ LYS 20 -15.033 -6.838 -0.659
125 HZ3 LYS 20 2HZ LYS 20 -13.872 -7.953 -0.147
126 H ILE 21 H ILE 21 -9.075 -4.813 0.614
127 HA ILE 21 HA ILE 21 -9.705 -2.722 2.524
128 HB ILE 21 HB ILE 21 -9.775 -4.503 4.259
129 HG12 ILE 21 2HG1 ILE 21 -9.721 -6.463 1.964
130 HG13 ILE 21 1HG1 ILE 21 -8.319 -6.110 2.971
131 HG21 ILE 21 1HG2 ILE 21 -11.943 -5.466 3.603
132 HG22 ILE 21 2HG2 ILE 21 -11.668 -4.921 1.948
133 HG23 ILE 21 3HG2 ILE 21 -11.845 -3.741 3.245
134 HD11 ILE 21 3HD1 ILE 21 -10.935 -7.216 3.914
135 HD12 ILE 21 1HD1 ILE 21 -9.524 -6.852 4.903
136 HD13 ILE 21 2HD1 ILE 21 -9.433 -8.137 3.681
137 H GLY 22 H GLY 22 -8.157 -2.009 3.768
138 HA2 GLY 22 2HA GLY 22 -5.983 -1.355 4.252
139 HA3 GLY 22 1HA GLY 22 -5.663 -3.080 4.339
140 H TYR 23 H TYR 23 -3.742 -3.210 3.393
141 HA TYR 23 HA TYR 23 -3.449 -3.286 0.628
142 HB2 TYR 23 2HB TYR 23 -1.773 -1.481 0.340
143 HB3 TYR 23 1HB TYR 23 -3.312 -0.790 0.839
144 HD1 TYR 23 2HD TYR 23 -3.573 -0.104 3.270
145 HD2 TYR 23 1HD TYR 23 0.186 -1.131 1.581
146 HE1 TYR 23 2HE TYR 23 -2.441 1.031 5.123
147 HE2 TYR 23 1HE TYR 23 1.327 -0.004 3.423
148 HH TYR 23 HH TYR 23 0.868 1.739 5.020
149 H GLU 24 H GLU 24 -0.871 -3.585 0.286
150 HA GLU 24 HA GLU 24 0.362 -4.622 2.688
151 HB2 GLU 24 2HB GLU 24 0.960 -6.753 1.529
152 HB3 GLU 24 1HB GLU 24 -0.752 -6.589 1.882
153 HG2 GLU 24 2HG GLU 24 -1.173 -5.975 -0.451
154 HG3 GLU 24 1HG GLU 24 0.558 -6.102 -0.767
155 H CYS 25 H CYS 25 2.534 -4.397 2.694
156 HA CYS 25 HA CYS 25 3.743 -3.059 0.422
157 HB2 CYS 25 2HB CYS 25 4.945 -3.792 3.110
158 HB3 CYS 25 1HB CYS 25 5.610 -2.683 1.919
159 H LEU 26 H LEU 26 4.955 -4.173 -1.014
160 HA LEU 26 HA LEU 26 5.684 -6.934 -0.301
161 HB2 LEU 26 2HB LEU 26 5.086 -5.819 -3.050
162 HB3 LEU 26 1HB LEU 26 5.490 -7.485 -2.682
163 HG LEU 26 HG LEU 26 2.999 -6.010 -1.872
164 HD11 LEU 26 1HD1 LEU 26 1.866 -7.567 -3.378
165 HD12 LEU 26 2HD1 LEU 26 3.422 -8.261 -3.825
166 HD13 LEU 26 3HD1 LEU 26 3.056 -6.583 -4.230
167 HD21 LEU 26 3HD2 LEU 26 2.201 -8.183 -1.030
168 HD22 LEU 26 1HD2 LEU 26 3.617 -7.617 -0.145
169 HD23 LEU 26 2HD2 LEU 26 3.783 -8.883 -1.360
170 HN1 NH2 27 1H LEU 26 6.805 -5.524 -3.248
171 HN2 NH2 27 2H LEU 26 8.429 -5.247 -2.750