Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
597793 | 2mw0 RC | 25293 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 1.807 0.001 0.856
2 HA SER 1 HA SER 1 1.491 0.477 -2.001
3 HB2 SER 1 1HB SER 1 3.205 1.645 -0.426
4 HB3 SER 1 2HB SER 1 4.139 0.161 -0.615
5 HG SER 1 HG SER 1 3.679 2.196 -2.405
6 H TRP 2 H TRP 2 0.463 -1.842 -1.834
7 HA TRP 2 HA TRP 2 1.870 -4.161 -1.520
8 HB2 TRP 2 1HB TRP 2 -0.510 -4.134 -2.052
9 HB3 TRP 2 2HB TRP 2 -0.163 -3.542 -3.674
10 HD1 TRP 2 HD1 TRP 2 -0.479 -6.704 -1.688
11 HE1 TRP 2 HE1 TRP 2 0.003 -8.732 -3.198
12 HE3 TRP 2 HE3 TRP 2 1.410 -4.255 -5.758
13 HZ2 TRP 2 HZ2 TRP 2 1.046 -9.228 -5.773
14 HZ3 TRP 2 HZ3 TRP 2 2.128 -5.580 -7.704
15 HH2 TRP 2 HH2 TRP 2 1.950 -8.015 -7.709
16 HA PRO 3 HA PRO 3 2.419 -6.126 -2.187
17 HB2 PRO 3 1HB PRO 3 4.908 -7.159 -1.860
18 HB3 PRO 3 2HB PRO 3 3.879 -7.553 -3.242
19 HG2 PRO 3 1HG PRO 3 6.133 -5.592 -3.058
20 HG3 PRO 3 2HG PRO 3 5.755 -6.743 -4.352
21 HD2 PRO 3 1HD PRO 3 5.128 -4.114 -4.513
22 HD3 PRO 3 2HD PRO 3 4.136 -5.380 -5.264
23 H ILE 4 H ILE 4 5.256 -4.018 -1.853
24 HA ILE 4 HA ILE 4 5.879 -4.307 0.786
25 HB ILE 4 HB ILE 4 5.708 -1.616 -0.569
26 HG12 ILE 4 1HG1 ILE 4 6.886 -3.063 -2.075
27 HG13 ILE 4 2HG1 ILE 4 8.090 -2.092 -1.235
28 HG21 ILE 4 1HG2 ILE 4 7.294 -2.698 1.741
29 HG22 ILE 4 2HG2 ILE 4 7.766 -1.236 0.877
30 HG23 ILE 4 3HG2 ILE 4 6.211 -1.307 1.706
31 HD11 ILE 4 3HD1 ILE 4 8.258 -4.101 0.368
32 HD12 ILE 4 1HD1 ILE 4 7.457 -4.994 -0.925
33 HD13 ILE 4 2HD1 ILE 4 9.009 -4.211 -1.224
34 H CYS 5 H CYS 5 5.334 -3.088 2.700
35 HA CYS 5 HA CYS 5 2.541 -2.146 2.709
36 HB2 CYS 5 1HB CYS 5 3.959 -4.061 4.473
37 HB3 CYS 5 2HB CYS 5 2.870 -2.928 5.267
38 H LYS 6 H LYS 6 2.092 -0.267 3.750
39 HA LYS 6 HA LYS 6 4.111 0.979 5.438
40 HB2 LYS 6 1HB LYS 6 3.358 1.927 2.725
41 HB3 LYS 6 2HB LYS 6 3.529 3.151 3.976
42 HG2 LYS 6 1HG LYS 6 5.697 3.155 3.511
43 HG3 LYS 6 2HG LYS 6 5.777 1.570 4.285
44 HD2 LYS 6 1HD LYS 6 5.427 0.472 2.160
45 HD3 LYS 6 2HD LYS 6 5.200 2.029 1.358
46 HE2 LYS 6 1HE LYS 6 7.695 1.933 2.822
47 HE3 LYS 6 2HE LYS 6 7.584 0.623 1.647
48 HZ1 LYS 6 3HZ LYS 6 8.547 2.830 0.870
49 HZ2 LYS 6 1HZ LYS 6 6.959 3.414 0.904
50 HZ3 LYS 6 2HZ LYS 6 7.361 2.119 -0.106
51 H ARG 7 H ARG 7 3.246 2.214 7.020
52 HA ARG 7 HA ARG 7 0.389 2.178 7.340
53 HB2 ARG 7 1HB ARG 7 1.702 1.827 9.305
54 HB3 ARG 7 2HB ARG 7 2.634 3.291 9.020
55 HG2 ARG 7 1HG ARG 7 1.100 4.607 9.986
56 HG3 ARG 7 2HG ARG 7 -0.253 3.717 9.286
57 HD2 ARG 7 1HD ARG 7 -0.203 2.094 10.983
58 HD3 ARG 7 2HD ARG 7 1.405 2.582 11.517
59 HE ARG 7 HE ARG 7 -0.446 4.710 11.810
60 HH11 ARG 7 1HH1 ARG 7 0.523 1.682 13.230
61 HH12 ARG 7 2HH1 ARG 7 -0.012 2.108 14.821
62 HH21 ARG 7 1HH2 ARG 7 -1.155 5.282 13.901
63 HH22 ARG 7 2HH2 ARG 7 -0.967 4.155 15.202
64 H ASN 8 H ASN 8 2.584 4.935 7.818
65 HA ASN 8 HA ASN 8 0.527 6.685 6.690
66 HB2 ASN 8 1HB ASN 8 2.734 7.025 8.645
67 HB3 ASN 8 2HB ASN 8 2.370 8.412 7.623
68 HD21 ASN 8 2HD2 ASN 8 0.227 5.946 8.971
69 HD22 ASN 8 1HD2 ASN 8 -0.754 7.043 9.875
70 H GLY 9 H GLY 9 2.426 4.958 5.125
71 HA2 GLY 9 1HA GLY 9 3.150 5.341 2.917
72 HA3 GLY 9 2HA GLY 9 3.260 7.058 3.274
73 H LEU 10 H LEU 10 4.653 4.946 5.585
74 HA LEU 10 HA LEU 10 7.325 5.342 4.423
75 HB2 LEU 10 1HB LEU 10 6.629 5.694 7.334
76 HB3 LEU 10 2HB LEU 10 8.220 5.893 6.602
77 HG LEU 10 HG LEU 10 6.101 7.621 5.506
78 HD11 LEU 10 1HD1 LEU 10 5.655 8.894 7.319
79 HD12 LEU 10 2HD1 LEU 10 7.220 8.577 8.067
80 HD13 LEU 10 3HD1 LEU 10 5.936 7.372 8.165
81 HD21 LEU 10 3HD2 LEU 10 8.197 9.187 6.215
82 HD22 LEU 10 1HD2 LEU 10 8.062 8.338 4.675
83 HD23 LEU 10 2HD2 LEU 10 8.998 7.631 5.992
84 HA PRO 11 HA PRO 11 8.031 1.097 5.300
85 HB2 PRO 11 1HB PRO 11 10.708 1.104 5.754
86 HB3 PRO 11 2HB PRO 11 10.006 1.315 4.145
87 HG2 PRO 11 1HG PRO 11 11.042 3.382 6.046
88 HG3 PRO 11 2HG PRO 11 11.273 3.259 4.293
89 HD2 PRO 11 1HD PRO 11 9.464 4.936 5.408
90 HD3 PRO 11 2HD PRO 11 9.207 4.167 3.829
91 H VAL 12 H VAL 12 6.755 1.504 7.373
92 HA VAL 12 HA VAL 12 8.516 1.224 9.721
93 HB VAL 12 HB VAL 12 6.723 2.068 11.102
94 HG11 VAL 12 1HG1 VAL 12 8.145 3.765 10.237
95 HG12 VAL 12 2HG1 VAL 12 7.309 3.763 8.683
96 HG13 VAL 12 3HG1 VAL 12 6.493 4.371 10.123
97 HG21 VAL 12 3HG2 VAL 12 4.642 2.954 10.018
98 HG22 VAL 12 1HG2 VAL 12 5.133 2.120 8.544
99 HG23 VAL 12 2HG2 VAL 12 4.791 1.197 10.007
100 H CYS 13 H CYS 13 5.889 -0.148 7.902
101 HA CYS 13 HA CYS 13 5.090 -2.065 9.857
102 HB2 CYS 13 1HB CYS 13 4.695 -2.300 6.875
103 HB3 CYS 13 2HB CYS 13 3.707 -2.996 8.155
104 H GLY 14 H GLY 14 7.410 -2.028 7.218
105 HA2 GLY 14 1HA GLY 14 9.024 -3.530 6.576
106 HA3 GLY 14 2HA GLY 14 9.063 -3.991 8.271
107 H GLU 15 H GLU 15 6.597 -4.375 5.730
108 HA GLU 15 HA GLU 15 6.933 -7.261 5.806
109 HB2 GLU 15 1HB GLU 15 4.715 -7.783 6.460
110 HB3 GLU 15 2HB GLU 15 5.310 -6.625 7.641
111 HG2 GLU 15 1HG GLU 15 4.149 -4.836 6.308
112 HG3 GLU 15 2HG GLU 15 3.392 -6.132 5.384
113 H THR 16 H THR 16 5.485 -8.343 4.190
114 HA THR 16 HA THR 16 4.827 -6.548 1.951
115 HB THR 16 HB THR 16 5.577 -8.518 0.459
116 HG1 THR 16 HG1 THR 16 7.372 -9.667 1.525
117 HG21 THR 16 3HG2 THR 16 6.832 -6.220 1.303
118 HG22 THR 16 1HG2 THR 16 7.377 -7.264 -0.008
119 HG23 THR 16 2HG2 THR 16 8.043 -7.464 1.613
120 H CYS 17 H CYS 17 2.709 -6.673 1.631
121 HA CYS 17 HA CYS 17 1.234 -9.067 2.344
122 HB2 CYS 17 1HB CYS 17 -0.761 -7.722 1.766
123 HB3 CYS 17 2HB CYS 17 0.275 -6.911 2.935
124 H THR 18 H THR 18 0.329 -10.498 0.964
125 HA THR 18 HA THR 18 0.714 -10.020 -1.920
126 HB THR 18 HB THR 18 0.745 -12.645 -1.968
127 HG1 THR 18 HG1 THR 18 1.975 -13.303 0.013
128 HG21 THR 18 3HG2 THR 18 2.704 -10.648 -2.005
129 HG22 THR 18 1HG2 THR 18 2.860 -12.304 -2.588
130 HG23 THR 18 2HG2 THR 18 3.334 -11.902 -0.938
131 H LEU 19 H LEU 19 -1.622 -9.656 -0.010
132 HA LEU 19 HA LEU 19 -3.574 -11.063 -1.682
133 HB2 LEU 19 1HB LEU 19 -4.798 -11.015 0.777
134 HB3 LEU 19 2HB LEU 19 -4.077 -12.424 0.002
135 HG LEU 19 HG LEU 19 -1.957 -11.918 1.216
136 HD11 LEU 19 1HD1 LEU 19 -3.166 -10.327 3.287
137 HD12 LEU 19 2HD1 LEU 19 -3.220 -9.486 1.738
138 HD13 LEU 19 3HD1 LEU 19 -1.678 -10.051 2.381
139 HD21 LEU 19 3HD2 LEU 19 -2.995 -12.501 3.522
140 HD22 LEU 19 1HD2 LEU 19 -3.164 -13.637 2.184
141 HD23 LEU 19 2HD2 LEU 19 -4.510 -12.586 2.623
142 H GLY 20 H GLY 20 -2.465 -8.233 -1.169
143 HA2 GLY 20 1HA GLY 20 -3.363 -6.132 -1.477
144 HA3 GLY 20 2HA GLY 20 -4.945 -6.884 -1.622
145 H THR 21 H THR 21 -2.724 -7.098 1.117
146 HA THR 21 HA THR 21 -3.867 -5.109 2.717
147 HB THR 21 HB THR 21 -5.918 -6.365 2.706
148 HG1 THR 21 HG1 THR 21 -5.996 -6.905 5.006
149 HG21 THR 21 3HG2 THR 21 -4.311 -8.728 3.683
150 HG22 THR 21 1HG2 THR 21 -4.963 -8.545 2.055
151 HG23 THR 21 2HG2 THR 21 -6.056 -8.682 3.433
152 H CYS 22 H CYS 22 -2.558 -4.762 4.409
153 HA CYS 22 HA CYS 22 -0.235 -6.330 4.772
154 HB2 CYS 22 1HB CYS 22 -1.441 -4.146 6.481
155 HB3 CYS 22 2HB CYS 22 0.147 -4.852 6.761
156 H SER 23 H SER 23 0.397 -7.664 6.471
157 HA SER 23 HA SER 23 -1.596 -9.363 7.519
158 HB2 SER 23 1HB SER 23 1.041 -9.657 7.133
159 HB3 SER 23 2HB SER 23 1.061 -9.277 8.855
160 HG SER 23 HG SER 23 0.857 -11.546 8.371
161 H THR 24 H THR 24 -0.125 -6.463 8.705
162 HA THR 24 HA THR 24 -1.026 -6.877 11.431
163 HB THR 24 HB THR 24 1.115 -5.679 10.901
164 HG1 THR 24 HG1 THR 24 0.854 -4.556 12.709
165 HG21 THR 24 3HG2 THR 24 -0.434 -4.257 9.120
166 HG22 THR 24 1HG2 THR 24 1.193 -3.824 9.645
167 HG23 THR 24 2HG2 THR 24 -0.210 -3.120 10.450
168 H GLN 25 H GLN 25 -2.096 -4.771 12.414
169 HA GLN 25 HA GLN 25 -4.410 -4.132 10.706
170 HB2 GLN 25 1HB GLN 25 -4.267 -5.225 13.347
171 HB3 GLN 25 2HB GLN 25 -5.035 -3.646 13.430
172 HG2 GLN 25 1HG GLN 25 -6.236 -4.852 11.253
173 HG3 GLN 25 2HG GLN 25 -6.058 -6.158 12.423
174 HE21 GLN 25 2HE2 GLN 25 -6.691 -5.483 14.714
175 HE22 GLN 25 1HE2 GLN 25 -8.166 -4.594 14.856
176 H GLY 26 H GLY 26 -3.642 -2.223 9.836
177 HA2 GLY 26 1HA GLY 26 -4.205 0.179 10.733
178 HA3 GLY 26 2HA GLY 26 -2.753 -0.124 11.675
179 H CYS 27 H CYS 27 -1.855 -1.758 9.190
180 HA CYS 27 HA CYS 27 -0.531 0.507 7.923
181 HB2 CYS 27 1HB CYS 27 -0.075 -2.466 7.899
182 HB3 CYS 27 2HB CYS 27 0.716 -1.417 6.727
183 H THR 28 H THR 28 -0.267 0.499 5.542
184 HA THR 28 HA THR 28 -2.564 -0.665 4.127
185 HB THR 28 HB THR 28 -1.881 1.938 3.051
186 HG1 THR 28 HG1 THR 28 -3.049 2.950 4.972
187 HG21 THR 28 3HG2 THR 28 -4.209 2.193 2.918
188 HG22 THR 28 1HG2 THR 28 -4.497 1.103 4.273
189 HG23 THR 28 2HG2 THR 28 -3.955 0.459 2.723
190 H CYS 29 H CYS 29 -1.817 -1.886 2.535
191 HA CYS 29 HA CYS 29 0.787 -2.043 1.644
192 HB2 CYS 29 1HB CYS 29 -1.722 -2.675 0.074
193 HB3 CYS 29 2HB CYS 29 -0.104 -3.252 -0.311
Start of MODEL 2
1 H1 SER 1 H SER 1 1.649 0.006 0.626
2 HA SER 1 HA SER 1 1.308 0.412 -2.239
3 HB2 SER 1 1HB SER 1 2.982 1.671 -0.688
4 HB3 SER 1 2HB SER 1 3.971 0.221 -0.859
5 HG SER 1 HG SER 1 4.097 0.567 -3.037
6 H TRP 2 H TRP 2 0.370 -1.948 -1.998
7 HA TRP 2 HA TRP 2 1.874 -4.199 -1.657
8 HB2 TRP 2 1HB TRP 2 -0.511 -4.281 -2.159
9 HB3 TRP 2 2HB TRP 2 -0.208 -3.710 -3.798
10 HD1 TRP 2 HD1 TRP 2 -0.372 -6.839 -1.741
11 HE1 TRP 2 HE1 TRP 2 0.175 -8.878 -3.213
12 HE3 TRP 2 HE3 TRP 2 1.369 -4.404 -5.886
13 HZ2 TRP 2 HZ2 TRP 2 1.207 -9.387 -5.791
14 HZ3 TRP 2 HZ3 TRP 2 2.117 -5.741 -7.811
15 HH2 TRP 2 HH2 TRP 2 2.038 -8.181 -7.763
16 HA PRO 3 HA PRO 3 2.493 -6.156 -2.291
17 HB2 PRO 3 1HB PRO 3 5.026 -7.081 -1.975
18 HB3 PRO 3 2HB PRO 3 3.997 -7.544 -3.335
19 HG2 PRO 3 1HG PRO 3 6.173 -5.491 -3.219
20 HG3 PRO 3 2HG PRO 3 5.826 -6.684 -4.485
21 HD2 PRO 3 1HD PRO 3 5.092 -4.086 -4.691
22 HD3 PRO 3 2HD PRO 3 4.142 -5.406 -5.404
23 H ILE 4 H ILE 4 5.269 -3.953 -2.031
24 HA ILE 4 HA ILE 4 5.919 -4.157 0.608
25 HB ILE 4 HB ILE 4 5.652 -1.509 -0.816
26 HG12 ILE 4 1HG1 ILE 4 6.877 -2.965 -2.278
27 HG13 ILE 4 2HG1 ILE 4 8.044 -1.919 -1.477
28 HG21 ILE 4 1HG2 ILE 4 7.275 -2.468 1.522
29 HG22 ILE 4 2HG2 ILE 4 7.696 -1.016 0.616
30 HG23 ILE 4 3HG2 ILE 4 6.144 -1.117 1.449
31 HD11 ILE 4 3HD1 ILE 4 7.625 -4.834 -1.239
32 HD12 ILE 4 1HD1 ILE 4 9.117 -3.895 -1.247
33 HD13 ILE 4 2HD1 ILE 4 8.126 -3.964 0.211
34 H CYS 5 H CYS 5 5.349 -2.922 2.500
35 HA CYS 5 HA CYS 5 2.555 -1.988 2.501
36 HB2 CYS 5 1HB CYS 5 3.831 -4.084 4.098
37 HB3 CYS 5 2HB CYS 5 2.986 -2.887 5.073
38 H LYS 6 H LYS 6 2.083 -0.199 3.729
39 HA LYS 6 HA LYS 6 4.133 0.973 5.424
40 HB2 LYS 6 1HB LYS 6 3.340 2.057 2.774
41 HB3 LYS 6 2HB LYS 6 3.530 3.216 4.084
42 HG2 LYS 6 1HG LYS 6 5.681 3.250 3.520
43 HG3 LYS 6 2HG LYS 6 5.787 1.678 4.316
44 HD2 LYS 6 1HD LYS 6 5.354 0.563 2.187
45 HD3 LYS 6 2HD LYS 6 5.214 2.130 1.386
46 HE2 LYS 6 1HE LYS 6 7.691 1.340 2.888
47 HE3 LYS 6 2HE LYS 6 7.445 0.880 1.204
48 HZ1 LYS 6 3HZ LYS 6 7.155 3.693 2.027
49 HZ2 LYS 6 1HZ LYS 6 7.537 3.061 0.504
50 HZ3 LYS 6 2HZ LYS 6 8.693 3.049 1.739
51 H ARG 7 H ARG 7 3.319 2.305 6.999
52 HA ARG 7 HA ARG 7 0.460 2.185 7.401
53 HB2 ARG 7 1HB ARG 7 1.961 1.782 9.285
54 HB3 ARG 7 2HB ARG 7 2.656 3.386 9.096
55 HG2 ARG 7 1HG ARG 7 1.186 4.025 10.638
56 HG3 ARG 7 2HG ARG 7 -0.021 3.919 9.355
57 HD2 ARG 7 1HD ARG 7 -0.674 1.746 10.020
58 HD3 ARG 7 2HD ARG 7 0.728 1.569 11.074
59 HE ARG 7 HE ARG 7 -1.032 3.734 11.794
60 HH11 ARG 7 1HH1 ARG 7 -0.320 0.348 12.174
61 HH12 ARG 7 2HH1 ARG 7 -1.141 0.212 13.693
62 HH21 ARG 7 1HH2 ARG 7 -2.116 3.568 13.794
63 HH22 ARG 7 2HH2 ARG 7 -2.164 2.044 14.613
64 H ASN 8 H ASN 8 2.740 4.904 7.757
65 HA ASN 8 HA ASN 8 0.642 6.677 6.705
66 HB2 ASN 8 1HB ASN 8 2.930 7.155 8.606
67 HB3 ASN 8 2HB ASN 8 2.094 8.486 7.812
68 HD21 ASN 8 2HD2 ASN 8 1.654 5.719 9.934
69 HD22 ASN 8 1HD2 ASN 8 0.261 6.334 10.750
70 H GLY 9 H GLY 9 2.379 5.108 5.010
71 HA2 GLY 9 1HA GLY 9 3.255 5.603 2.901
72 HA3 GLY 9 2HA GLY 9 3.407 7.285 3.384
73 H LEU 10 H LEU 10 4.661 4.993 5.592
74 HA LEU 10 HA LEU 10 7.372 5.298 4.507
75 HB2 LEU 10 1HB LEU 10 6.675 5.671 7.413
76 HB3 LEU 10 2HB LEU 10 8.263 5.849 6.670
77 HG LEU 10 HG LEU 10 6.227 7.623 5.541
78 HD11 LEU 10 1HD1 LEU 10 6.457 7.383 8.419
79 HD12 LEU 10 2HD1 LEU 10 5.314 8.312 7.448
80 HD13 LEU 10 3HD1 LEU 10 6.889 8.996 7.850
81 HD21 LEU 10 3HD2 LEU 10 8.020 8.911 5.163
82 HD22 LEU 10 1HD2 LEU 10 8.951 7.478 5.599
83 HD23 LEU 10 2HD2 LEU 10 8.627 8.720 6.809
84 HA PRO 11 HA PRO 11 7.851 1.029 5.416
85 HB2 PRO 11 1HB PRO 11 10.516 0.905 5.920
86 HB3 PRO 11 2HB PRO 11 9.855 1.142 4.298
87 HG2 PRO 11 1HG PRO 11 10.957 3.166 6.209
88 HG3 PRO 11 2HG PRO 11 11.215 3.022 4.460
89 HD2 PRO 11 1HD PRO 11 9.470 4.792 5.534
90 HD3 PRO 11 2HD PRO 11 9.204 4.029 3.954
91 H VAL 12 H VAL 12 6.558 1.461 7.455
92 HA VAL 12 HA VAL 12 8.261 1.010 9.820
93 HB VAL 12 HB VAL 12 6.631 2.124 11.207
94 HG11 VAL 12 1HG1 VAL 12 7.306 3.797 8.788
95 HG12 VAL 12 2HG1 VAL 12 6.849 4.416 10.376
96 HG13 VAL 12 3HG1 VAL 12 8.352 3.514 10.180
97 HG21 VAL 12 3HG2 VAL 12 4.903 1.662 8.991
98 HG22 VAL 12 1HG2 VAL 12 4.499 2.257 10.602
99 HG23 VAL 12 2HG2 VAL 12 4.936 3.394 9.326
100 H CYS 13 H CYS 13 6.822 -0.810 7.848
101 HA CYS 13 HA CYS 13 5.367 -2.378 9.872
102 HB2 CYS 13 1HB CYS 13 4.679 -2.410 6.937
103 HB3 CYS 13 2HB CYS 13 3.740 -3.051 8.282
104 H GLY 14 H GLY 14 7.302 -2.429 6.914
105 HA2 GLY 14 1HA GLY 14 8.649 -4.051 6.001
106 HA3 GLY 14 2HA GLY 14 8.977 -4.493 7.670
107 H GLU 15 H GLU 15 5.892 -4.701 5.954
108 HA GLU 15 HA GLU 15 6.100 -7.628 5.997
109 HB2 GLU 15 1HB GLU 15 3.665 -7.670 6.720
110 HB3 GLU 15 2HB GLU 15 4.837 -7.223 7.952
111 HG2 GLU 15 1HG GLU 15 4.309 -4.831 7.474
112 HG3 GLU 15 2HG GLU 15 3.008 -5.391 6.424
113 H THR 16 H THR 16 6.498 -7.331 3.719
114 HA THR 16 HA THR 16 4.809 -6.037 1.926
115 HB THR 16 HB THR 16 5.740 -7.497 0.187
116 HG1 THR 16 HG1 THR 16 6.589 -8.990 2.440
117 HG21 THR 16 3HG2 THR 16 7.840 -6.597 0.266
118 HG22 THR 16 1HG2 THR 16 8.078 -7.019 1.961
119 HG23 THR 16 2HG2 THR 16 7.075 -5.634 1.529
120 H CYS 17 H CYS 17 2.690 -6.330 1.721
121 HA CYS 17 HA CYS 17 1.412 -8.815 2.382
122 HB2 CYS 17 1HB CYS 17 -0.665 -7.652 1.701
123 HB3 CYS 17 2HB CYS 17 0.277 -6.721 2.861
124 H THR 18 H THR 18 0.561 -10.335 1.040
125 HA THR 18 HA THR 18 1.032 -9.974 -1.849
126 HB THR 18 HB THR 18 1.145 -12.620 -1.725
127 HG1 THR 18 HG1 THR 18 1.962 -13.361 0.186
128 HG21 THR 18 3HG2 THR 18 3.548 -12.475 -1.737
129 HG22 THR 18 1HG2 THR 18 3.503 -10.922 -0.903
130 HG23 THR 18 2HG2 THR 18 2.900 -11.053 -2.555
131 H LEU 19 H LEU 19 -1.373 -9.703 0.048
132 HA LEU 19 HA LEU 19 -3.211 -11.234 -1.652
133 HB2 LEU 19 1HB LEU 19 -4.515 -11.192 0.754
134 HB3 LEU 19 2HB LEU 19 -3.663 -12.573 0.068
135 HG LEU 19 HG LEU 19 -1.643 -11.888 1.349
136 HD11 LEU 19 1HD1 LEU 19 -3.116 -9.523 1.726
137 HD12 LEU 19 2HD1 LEU 19 -1.523 -9.924 2.366
138 HD13 LEU 19 3HD1 LEU 19 -2.968 -10.285 3.310
139 HD21 LEU 19 3HD2 LEU 19 -2.382 -12.799 3.418
140 HD22 LEU 19 1HD2 LEU 19 -3.324 -13.574 2.145
141 HD23 LEU 19 2HD2 LEU 19 -4.046 -12.294 3.119
142 H GLY 20 H GLY 20 -2.234 -8.314 -0.995
143 HA2 GLY 20 1HA GLY 20 -3.224 -6.270 -1.433
144 HA3 GLY 20 2HA GLY 20 -4.758 -7.101 -1.645
145 H THR 21 H THR 21 -2.645 -7.138 1.191
146 HA THR 21 HA THR 21 -3.962 -5.205 2.713
147 HB THR 21 HB THR 21 -5.958 -6.505 2.663
148 HG1 THR 21 HG1 THR 21 -6.131 -7.062 4.913
149 HG21 THR 21 3HG2 THR 21 -4.350 -8.876 3.615
150 HG22 THR 21 1HG2 THR 21 -4.888 -8.634 1.954
151 HG23 THR 21 2HG2 THR 21 -6.073 -8.846 3.242
152 H CYS 22 H CYS 22 -2.480 -4.698 4.174
153 HA CYS 22 HA CYS 22 -0.211 -6.184 4.749
154 HB2 CYS 22 1HB CYS 22 -1.568 -4.031 6.381
155 HB3 CYS 22 2HB CYS 22 0.039 -4.661 6.728
156 H SER 23 H SER 23 0.465 -7.116 6.827
157 HA SER 23 HA SER 23 -1.455 -9.043 7.729
158 HB2 SER 23 1HB SER 23 1.438 -8.508 8.223
159 HB3 SER 23 2HB SER 23 0.566 -9.485 9.404
160 HG SER 23 HG SER 23 0.472 -10.021 6.628
161 H THR 24 H THR 24 0.322 -6.393 9.307
162 HA THR 24 HA THR 24 -0.920 -6.649 11.821
163 HB THR 24 HB THR 24 1.191 -5.368 11.375
164 HG1 THR 24 HG1 THR 24 0.792 -4.090 13.095
165 HG21 THR 24 3HG2 THR 24 -0.083 -2.837 10.873
166 HG22 THR 24 1HG2 THR 24 -0.446 -3.972 9.573
167 HG23 THR 24 2HG2 THR 24 1.230 -3.619 9.993
168 H GLN 25 H GLN 25 -2.127 -4.594 12.735
169 HA GLN 25 HA GLN 25 -4.432 -4.149 10.961
170 HB2 GLN 25 1HB GLN 25 -4.913 -5.377 13.049
171 HB3 GLN 25 2HB GLN 25 -4.302 -4.015 13.979
172 HG2 GLN 25 1HG GLN 25 -6.250 -2.971 13.870
173 HG3 GLN 25 2HG GLN 25 -6.321 -3.156 12.118
174 HE21 GLN 25 2HE2 GLN 25 -8.316 -3.452 14.366
175 HE22 GLN 25 1HE2 GLN 25 -9.054 -4.987 14.077
176 H GLY 26 H GLY 26 -3.511 -2.339 9.909
177 HA2 GLY 26 1HA GLY 26 -4.252 0.136 10.590
178 HA3 GLY 26 2HA GLY 26 -2.764 -0.030 11.511
179 H CYS 27 H CYS 27 -1.432 -1.667 9.520
180 HA CYS 27 HA CYS 27 -0.387 0.446 7.898
181 HB2 CYS 27 1HB CYS 27 0.189 -2.504 8.102
182 HB3 CYS 27 2HB CYS 27 0.966 -1.492 6.889
183 H THR 28 H THR 28 -0.302 0.495 5.595
184 HA THR 28 HA THR 28 -2.471 -0.992 4.267
185 HB THR 28 HB THR 28 -3.163 1.346 4.637
186 HG1 THR 28 HG1 THR 28 -3.719 1.726 2.446
187 HG21 THR 28 3HG2 THR 28 -1.991 3.110 3.269
188 HG22 THR 28 1HG2 THR 28 -0.678 1.955 3.042
189 HG23 THR 28 2HG2 THR 28 -1.088 2.517 4.662
190 H CYS 29 H CYS 29 -2.098 -1.673 2.177
191 HA CYS 29 HA CYS 29 0.637 -2.017 1.430
192 HB2 CYS 29 1HB CYS 29 -1.886 -2.642 -0.119
193 HB3 CYS 29 2HB CYS 29 -0.270 -3.216 -0.516
Start of MODEL 3
1 H1 SER 1 H SER 1 1.837 0.015 0.829
2 HA SER 1 HA SER 1 1.517 0.487 -2.030
3 HB2 SER 1 1HB SER 1 3.260 1.601 -0.388
4 HB3 SER 1 2HB SER 1 4.193 0.145 -0.734
5 HG SER 1 HG SER 1 4.701 1.774 -2.218
6 H TRP 2 H TRP 2 0.485 -1.826 -1.862
7 HA TRP 2 HA TRP 2 1.881 -4.150 -1.539
8 HB2 TRP 2 1HB TRP 2 -0.496 -4.115 -2.079
9 HB3 TRP 2 2HB TRP 2 -0.141 -3.528 -3.702
10 HD1 TRP 2 HD1 TRP 2 -0.477 -6.684 -1.709
11 HE1 TRP 2 HE1 TRP 2 0.003 -8.717 -3.213
12 HE3 TRP 2 HE3 TRP 2 1.437 -4.251 -5.778
13 HZ2 TRP 2 HZ2 TRP 2 1.054 -9.223 -5.784
14 HZ3 TRP 2 HZ3 TRP 2 2.156 -5.583 -7.718
15 HH2 TRP 2 HH2 TRP 2 1.968 -8.018 -7.718
16 HA PRO 3 HA PRO 3 2.424 -6.119 -2.200
17 HB2 PRO 3 1HB PRO 3 4.908 -7.161 -1.862
18 HB3 PRO 3 2HB PRO 3 3.882 -7.554 -3.247
19 HG2 PRO 3 1HG PRO 3 6.144 -5.602 -3.058
20 HG3 PRO 3 2HG PRO 3 5.766 -6.754 -4.352
21 HD2 PRO 3 1HD PRO 3 5.151 -4.122 -4.519
22 HD3 PRO 3 2HD PRO 3 4.156 -5.385 -5.272
23 H ILE 4 H ILE 4 5.273 -4.027 -1.859
24 HA ILE 4 HA ILE 4 5.881 -4.312 0.785
25 HB ILE 4 HB ILE 4 5.736 -1.625 -0.579
26 HG12 ILE 4 1HG1 ILE 4 6.911 -3.084 -2.075
27 HG13 ILE 4 2HG1 ILE 4 8.117 -2.119 -1.232
28 HG21 ILE 4 1HG2 ILE 4 7.304 -2.711 1.741
29 HG22 ILE 4 2HG2 ILE 4 7.787 -1.253 0.877
30 HG23 ILE 4 3HG2 ILE 4 6.228 -1.314 1.699
31 HD11 ILE 4 3HD1 ILE 4 9.104 -4.136 -1.035
32 HD12 ILE 4 1HD1 ILE 4 8.071 -4.228 0.391
33 HD13 ILE 4 2HD1 ILE 4 7.578 -5.016 -1.108
34 H CYS 5 H CYS 5 5.334 -3.088 2.692
35 HA CYS 5 HA CYS 5 2.547 -2.127 2.685
36 HB2 CYS 5 1HB CYS 5 3.947 -4.046 4.460
37 HB3 CYS 5 2HB CYS 5 2.867 -2.901 5.249
38 H LYS 6 H LYS 6 2.094 -0.257 3.753
39 HA LYS 6 HA LYS 6 4.119 0.990 5.429
40 HB2 LYS 6 1HB LYS 6 3.365 1.942 2.716
41 HB3 LYS 6 2HB LYS 6 3.553 3.162 3.969
42 HG2 LYS 6 1HG LYS 6 5.713 3.150 3.455
43 HG3 LYS 6 2HG LYS 6 5.791 1.595 4.286
44 HD2 LYS 6 1HD LYS 6 5.393 0.429 2.190
45 HD3 LYS 6 2HD LYS 6 5.230 1.970 1.344
46 HE2 LYS 6 1HE LYS 6 7.720 1.222 2.853
47 HE3 LYS 6 2HE LYS 6 7.473 0.768 1.167
48 HZ1 LYS 6 3HZ LYS 6 8.164 2.770 0.577
49 HZ2 LYS 6 1HZ LYS 6 8.365 3.218 2.196
50 HZ3 LYS 6 2HZ LYS 6 6.885 3.486 1.423
51 H ARG 7 H ARG 7 3.254 2.218 7.014
52 HA ARG 7 HA ARG 7 0.409 2.177 7.358
53 HB2 ARG 7 1HB ARG 7 1.746 1.898 9.316
54 HB3 ARG 7 2HB ARG 7 2.659 3.363 8.979
55 HG2 ARG 7 1HG ARG 7 1.108 4.699 9.902
56 HG3 ARG 7 2HG ARG 7 -0.238 3.739 9.285
57 HD2 ARG 7 1HD ARG 7 -0.492 3.143 11.437
58 HD3 ARG 7 2HD ARG 7 0.826 2.025 11.090
59 HE ARG 7 HE ARG 7 2.187 3.265 12.448
60 HH11 ARG 7 1HH1 ARG 7 -0.643 5.133 11.659
61 HH12 ARG 7 2HH1 ARG 7 -0.266 6.413 12.764
62 HH21 ARG 7 1HH2 ARG 7 2.694 4.944 13.907
63 HH22 ARG 7 2HH2 ARG 7 1.633 6.304 14.042
64 H ASN 8 H ASN 8 2.566 4.979 7.736
65 HA ASN 8 HA ASN 8 0.471 6.661 6.565
66 HB2 ASN 8 1HB ASN 8 2.647 7.093 8.536
67 HB3 ASN 8 2HB ASN 8 2.266 8.449 7.479
68 HD21 ASN 8 2HD2 ASN 8 0.162 5.967 8.861
69 HD22 ASN 8 1HD2 ASN 8 -0.853 7.063 9.728
70 H GLY 9 H GLY 9 2.441 4.941 5.069
71 HA2 GLY 9 1HA GLY 9 3.161 5.306 2.849
72 HA3 GLY 9 2HA GLY 9 3.260 7.028 3.189
73 H LEU 10 H LEU 10 4.642 4.923 5.520
74 HA LEU 10 HA LEU 10 7.322 5.321 4.380
75 HB2 LEU 10 1HB LEU 10 6.603 5.718 7.279
76 HB3 LEU 10 2HB LEU 10 8.200 5.907 6.558
77 HG LEU 10 HG LEU 10 6.091 7.615 5.414
78 HD11 LEU 10 1HD1 LEU 10 5.896 7.409 8.074
79 HD12 LEU 10 2HD1 LEU 10 5.624 8.917 7.201
80 HD13 LEU 10 3HD1 LEU 10 7.181 8.613 7.971
81 HD21 LEU 10 3HD2 LEU 10 8.062 8.317 4.593
82 HD22 LEU 10 1HD2 LEU 10 8.982 7.640 5.937
83 HD23 LEU 10 2HD2 LEU 10 8.174 9.197 6.118
84 HA PRO 11 HA PRO 11 8.031 1.093 5.328
85 HB2 PRO 11 1HB PRO 11 10.704 1.112 5.800
86 HB3 PRO 11 2HB PRO 11 10.013 1.296 4.184
87 HG2 PRO 11 1HG PRO 11 11.031 3.395 6.059
88 HG3 PRO 11 2HG PRO 11 11.275 3.245 4.310
89 HD2 PRO 11 1HD PRO 11 9.454 4.935 5.386
90 HD3 PRO 11 2HD PRO 11 9.210 4.142 3.817
91 H VAL 12 H VAL 12 6.739 1.528 7.386
92 HA VAL 12 HA VAL 12 8.484 1.292 9.750
93 HB VAL 12 HB VAL 12 6.677 2.150 11.105
94 HG11 VAL 12 1HG1 VAL 12 8.094 3.841 10.224
95 HG12 VAL 12 2HG1 VAL 12 7.274 3.806 8.662
96 HG13 VAL 12 3HG1 VAL 12 6.440 4.435 10.083
97 HG21 VAL 12 3HG2 VAL 12 4.625 3.063 9.885
98 HG22 VAL 12 1HG2 VAL 12 5.114 2.027 8.544
99 HG23 VAL 12 2HG2 VAL 12 4.722 1.317 10.110
100 H CYS 13 H CYS 13 5.881 -0.124 7.932
101 HA CYS 13 HA CYS 13 5.087 -2.018 9.916
102 HB2 CYS 13 1HB CYS 13 4.682 -2.293 6.939
103 HB3 CYS 13 2HB CYS 13 3.697 -2.967 8.234
104 H GLY 14 H GLY 14 7.345 -2.035 7.210
105 HA2 GLY 14 1HA GLY 14 8.987 -3.520 6.605
106 HA3 GLY 14 2HA GLY 14 9.021 -3.981 8.301
107 H GLU 15 H GLU 15 6.552 -4.360 5.762
108 HA GLU 15 HA GLU 15 6.884 -7.249 5.845
109 HB2 GLU 15 1HB GLU 15 4.657 -7.758 6.477
110 HB3 GLU 15 2HB GLU 15 5.244 -6.597 7.659
111 HG2 GLU 15 1HG GLU 15 4.106 -4.810 6.300
112 HG3 GLU 15 2HG GLU 15 3.350 -6.110 5.381
113 H THR 16 H THR 16 5.429 -8.329 4.225
114 HA THR 16 HA THR 16 4.812 -6.543 1.968
115 HB THR 16 HB THR 16 5.571 -8.506 0.485
116 HG1 THR 16 HG1 THR 16 5.877 -10.046 2.129
117 HG21 THR 16 3HG2 THR 16 8.016 -7.475 1.728
118 HG22 THR 16 1HG2 THR 16 6.832 -6.231 1.331
119 HG23 THR 16 2HG2 THR 16 7.431 -7.312 0.073
120 H CYS 17 H CYS 17 2.695 -6.658 1.631
121 HA CYS 17 HA CYS 17 1.202 -9.043 2.337
122 HB2 CYS 17 1HB CYS 17 -0.781 -7.691 1.743
123 HB3 CYS 17 2HB CYS 17 0.251 -6.880 2.916
124 H THR 18 H THR 18 0.318 -10.479 0.952
125 HA THR 18 HA THR 18 0.709 -9.998 -1.931
126 HB THR 18 HB THR 18 0.761 -12.625 -1.976
127 HG1 THR 18 HG1 THR 18 1.048 -13.540 -0.092
128 HG21 THR 18 3HG2 THR 18 3.282 -11.475 -0.898
129 HG22 THR 18 1HG2 THR 18 2.618 -10.768 -2.370
130 HG23 THR 18 2HG2 THR 18 3.018 -12.485 -2.319
131 H LEU 19 H LEU 19 -1.632 -9.665 -0.015
132 HA LEU 19 HA LEU 19 -3.568 -11.094 -1.691
133 HB2 LEU 19 1HB LEU 19 -4.806 -11.043 0.756
134 HB3 LEU 19 2HB LEU 19 -4.053 -12.448 0.005
135 HG LEU 19 HG LEU 19 -1.956 -11.898 1.235
136 HD11 LEU 19 1HD1 LEU 19 -3.180 -10.295 3.277
137 HD12 LEU 19 2HD1 LEU 19 -3.274 -9.477 1.718
138 HD13 LEU 19 3HD1 LEU 19 -1.711 -9.996 2.347
139 HD21 LEU 19 3HD2 LEU 19 -3.481 -13.592 2.073
140 HD22 LEU 19 1HD2 LEU 19 -4.424 -12.357 2.907
141 HD23 LEU 19 2HD2 LEU 19 -2.768 -12.691 3.412
142 H GLY 20 H GLY 20 -2.471 -8.241 -1.109
143 HA2 GLY 20 1HA GLY 20 -3.396 -6.155 -1.478
144 HA3 GLY 20 2HA GLY 20 -4.973 -6.921 -1.600
145 H THR 21 H THR 21 -2.728 -7.095 1.121
146 HA THR 21 HA THR 21 -3.854 -5.094 2.714
147 HB THR 21 HB THR 21 -5.915 -6.311 2.743
148 HG1 THR 21 HG1 THR 21 -6.075 -6.690 4.979
149 HG21 THR 21 3HG2 THR 21 -6.094 -8.635 3.405
150 HG22 THR 21 1HG2 THR 21 -4.353 -8.725 3.670
151 HG23 THR 21 2HG2 THR 21 -4.987 -8.497 2.039
152 H CYS 22 H CYS 22 -2.549 -4.751 4.414
153 HA CYS 22 HA CYS 22 -0.225 -6.316 4.770
154 HB2 CYS 22 1HB CYS 22 -1.435 -4.149 6.497
155 HB3 CYS 22 2HB CYS 22 0.160 -4.846 6.762
156 H SER 23 H SER 23 0.430 -7.600 6.524
157 HA SER 23 HA SER 23 -1.531 -9.361 7.524
158 HB2 SER 23 1HB SER 23 0.995 -9.768 7.166
159 HB3 SER 23 2HB SER 23 1.196 -9.043 8.761
160 HG SER 23 HG SER 23 0.376 -11.531 8.105
161 H THR 24 H THR 24 -0.226 -6.393 8.722
162 HA THR 24 HA THR 24 -1.173 -6.822 11.430
163 HB THR 24 HB THR 24 0.915 -5.519 10.932
164 HG1 THR 24 HG1 THR 24 -0.359 -5.278 12.903
165 HG21 THR 24 3HG2 THR 24 -0.393 -3.000 10.466
166 HG22 THR 24 1HG2 THR 24 -0.785 -4.136 9.176
167 HG23 THR 24 2HG2 THR 24 0.900 -3.771 9.548
168 H GLN 25 H GLN 25 -2.361 -4.740 12.352
169 HA GLN 25 HA GLN 25 -4.667 -4.247 10.585
170 HB2 GLN 25 1HB GLN 25 -5.048 -5.673 12.652
171 HB3 GLN 25 2HB GLN 25 -4.729 -4.226 13.600
172 HG2 GLN 25 1HG GLN 25 -6.893 -3.785 13.454
173 HG3 GLN 25 2HG GLN 25 -6.618 -3.410 11.754
174 HE21 GLN 25 2HE2 GLN 25 -7.089 -4.981 10.188
175 HE22 GLN 25 1HE2 GLN 25 -8.152 -6.301 10.524
176 H GLY 26 H GLY 26 -2.443 -2.592 10.435
177 HA2 GLY 26 1HA GLY 26 -3.647 -0.054 11.016
178 HA3 GLY 26 2HA GLY 26 -2.267 -0.387 12.051
179 H CYS 27 H CYS 27 -2.357 -1.623 8.807
180 HA CYS 27 HA CYS 27 -0.547 0.513 7.915
181 HB2 CYS 27 1HB CYS 27 -0.076 -2.459 7.817
182 HB3 CYS 27 2HB CYS 27 0.732 -1.365 6.699
183 H THR 28 H THR 28 -0.246 0.503 5.522
184 HA THR 28 HA THR 28 -2.552 -0.620 4.088
185 HB THR 28 HB THR 28 -1.815 1.988 3.046
186 HG1 THR 28 HG1 THR 28 -1.736 3.026 4.883
187 HG21 THR 28 3HG2 THR 28 -4.300 2.325 3.333
188 HG22 THR 28 1HG2 THR 28 -4.364 0.699 4.012
189 HG23 THR 28 2HG2 THR 28 -3.835 0.939 2.347
190 H CYS 29 H CYS 29 -1.807 -1.847 2.498
191 HA CYS 29 HA CYS 29 0.801 -2.024 1.620
192 HB2 CYS 29 1HB CYS 29 -1.705 -2.637 0.040
193 HB3 CYS 29 2HB CYS 29 -0.090 -3.227 -0.338
Start of MODEL 4
1 H1 SER 1 H SER 1 1.855 -0.003 0.893
2 HA SER 1 HA SER 1 1.572 0.468 -1.969
3 HB2 SER 1 1HB SER 1 3.228 1.777 -0.671
4 HB3 SER 1 2HB SER 1 4.080 0.283 -0.281
5 HG SER 1 HG SER 1 4.074 1.754 -2.600
6 H TRP 2 H TRP 2 0.533 -1.842 -1.818
7 HA TRP 2 HA TRP 2 1.917 -4.170 -1.477
8 HB2 TRP 2 1HB TRP 2 -0.450 -4.130 -2.056
9 HB3 TRP 2 2HB TRP 2 -0.069 -3.537 -3.671
10 HD1 TRP 2 HD1 TRP 2 -0.446 -6.701 -1.699
11 HE1 TRP 2 HE1 TRP 2 0.054 -8.729 -3.202
12 HE3 TRP 2 HE3 TRP 2 1.546 -4.256 -5.723
13 HZ2 TRP 2 HZ2 TRP 2 1.149 -9.227 -5.756
14 HZ3 TRP 2 HZ3 TRP 2 2.296 -5.582 -7.655
15 HH2 TRP 2 HH2 TRP 2 2.101 -8.015 -7.669
16 HA PRO 3 HA PRO 3 2.464 -6.141 -2.133
17 HB2 PRO 3 1HB PRO 3 4.938 -7.192 -1.755
18 HB3 PRO 3 2HB PRO 3 3.934 -7.579 -3.158
19 HG2 PRO 3 1HG PRO 3 6.199 -5.635 -2.928
20 HG3 PRO 3 2HG PRO 3 5.839 -6.784 -4.229
21 HD2 PRO 3 1HD PRO 3 5.236 -4.150 -4.403
22 HD3 PRO 3 2HD PRO 3 4.249 -5.408 -5.174
23 H ILE 4 H ILE 4 5.323 -4.070 -1.738
24 HA ILE 4 HA ILE 4 5.875 -4.361 0.917
25 HB ILE 4 HB ILE 4 5.784 -1.671 -0.447
26 HG12 ILE 4 1HG1 ILE 4 6.968 -3.138 -1.926
27 HG13 ILE 4 2HG1 ILE 4 8.172 -2.191 -1.059
28 HG21 ILE 4 1HG2 ILE 4 7.832 -1.347 1.045
29 HG22 ILE 4 2HG2 ILE 4 6.251 -1.346 1.824
30 HG23 ILE 4 3HG2 ILE 4 7.275 -2.779 1.910
31 HD11 ILE 4 3HD1 ILE 4 7.437 -5.071 -0.684
32 HD12 ILE 4 1HD1 ILE 4 9.004 -4.375 -1.099
33 HD13 ILE 4 2HD1 ILE 4 8.348 -4.167 0.526
34 H CYS 5 H CYS 5 5.308 -3.117 2.811
35 HA CYS 5 HA CYS 5 2.523 -2.151 2.752
36 HB2 CYS 5 1HB CYS 5 3.920 -4.007 4.611
37 HB3 CYS 5 2HB CYS 5 2.761 -2.884 5.315
38 H LYS 6 H LYS 6 2.067 -0.249 3.743
39 HA LYS 6 HA LYS 6 4.084 1.027 5.419
40 HB2 LYS 6 1HB LYS 6 3.238 1.976 2.721
41 HB3 LYS 6 2HB LYS 6 3.521 3.181 3.970
42 HG2 LYS 6 1HG LYS 6 5.659 3.113 3.390
43 HG3 LYS 6 2HG LYS 6 5.725 1.516 4.139
44 HD2 LYS 6 1HD LYS 6 5.362 0.429 2.068
45 HD3 LYS 6 2HD LYS 6 4.892 1.935 1.277
46 HE2 LYS 6 1HE LYS 6 7.481 2.311 2.353
47 HE3 LYS 6 2HE LYS 6 7.482 0.762 1.512
48 HZ1 LYS 6 3HZ LYS 6 8.027 2.292 -0.124
49 HZ2 LYS 6 1HZ LYS 6 6.919 3.447 0.424
50 HZ3 LYS 6 2HZ LYS 6 6.370 2.059 -0.370
51 H ARG 7 H ARG 7 3.199 2.140 7.054
52 HA ARG 7 HA ARG 7 0.348 2.140 7.360
53 HB2 ARG 7 1HB ARG 7 1.807 1.749 9.279
54 HB3 ARG 7 2HB ARG 7 2.522 3.344 9.081
55 HG2 ARG 7 1HG ARG 7 1.028 4.027 10.579
56 HG3 ARG 7 2HG ARG 7 -0.159 3.899 9.279
57 HD2 ARG 7 1HD ARG 7 -0.357 1.434 9.995
58 HD3 ARG 7 2HD ARG 7 0.449 1.951 11.475
59 HE ARG 7 HE ARG 7 -2.264 2.503 10.692
60 HH11 ARG 7 1HH1 ARG 7 0.420 3.515 12.664
61 HH12 ARG 7 2HH1 ARG 7 -0.570 4.357 13.810
62 HH21 ARG 7 1HH2 ARG 7 -3.579 3.608 12.193
63 HH22 ARG 7 2HH2 ARG 7 -2.845 4.409 13.541
64 H ASN 8 H ASN 8 2.656 4.839 7.698
65 HA ASN 8 HA ASN 8 0.579 6.629 6.637
66 HB2 ASN 8 1HB ASN 8 2.924 7.096 8.470
67 HB3 ASN 8 2HB ASN 8 2.100 8.429 7.667
68 HD21 ASN 8 2HD2 ASN 8 1.582 5.667 9.795
69 HD22 ASN 8 1HD2 ASN 8 0.250 6.352 10.656
70 H GLY 9 H GLY 9 2.147 5.023 4.879
71 HA2 GLY 9 1HA GLY 9 3.074 5.380 2.788
72 HA3 GLY 9 2HA GLY 9 3.132 7.099 3.148
73 H LEU 10 H LEU 10 4.551 4.877 5.386
74 HA LEU 10 HA LEU 10 7.225 5.386 4.293
75 HB2 LEU 10 1HB LEU 10 6.494 5.738 7.195
76 HB3 LEU 10 2HB LEU 10 8.088 5.966 6.478
77 HG LEU 10 HG LEU 10 5.961 7.647 5.337
78 HD11 LEU 10 1HD1 LEU 10 5.712 7.397 7.986
79 HD12 LEU 10 2HD1 LEU 10 5.436 8.916 7.134
80 HD13 LEU 10 3HD1 LEU 10 6.980 8.623 7.934
81 HD21 LEU 10 3HD2 LEU 10 8.841 7.735 5.932
82 HD22 LEU 10 1HD2 LEU 10 7.986 9.270 6.093
83 HD23 LEU 10 2HD2 LEU 10 7.940 8.391 4.564
84 HA PRO 11 HA PRO 11 8.001 1.160 5.198
85 HB2 PRO 11 1HB PRO 11 10.673 1.218 5.674
86 HB3 PRO 11 2HB PRO 11 9.981 1.408 4.059
87 HG2 PRO 11 1HG PRO 11 10.962 3.504 5.958
88 HG3 PRO 11 2HG PRO 11 11.211 3.376 4.207
89 HD2 PRO 11 1HD PRO 11 9.361 5.025 5.298
90 HD3 PRO 11 2HD PRO 11 9.132 4.243 3.720
91 H VAL 12 H VAL 12 6.700 1.545 7.256
92 HA VAL 12 HA VAL 12 8.445 1.308 9.620
93 HB VAL 12 HB VAL 12 6.629 2.133 10.983
94 HG11 VAL 12 1HG1 VAL 12 6.389 4.429 10.016
95 HG12 VAL 12 2HG1 VAL 12 8.049 3.836 10.098
96 HG13 VAL 12 3HG1 VAL 12 7.186 3.834 8.559
97 HG21 VAL 12 3HG2 VAL 12 4.560 1.664 10.271
98 HG22 VAL 12 1HG2 VAL 12 4.699 3.137 9.311
99 HG23 VAL 12 2HG2 VAL 12 5.065 1.572 8.584
100 H CYS 13 H CYS 13 5.971 -0.170 7.720
101 HA CYS 13 HA CYS 13 5.099 -2.057 9.683
102 HB2 CYS 13 1HB CYS 13 4.869 -2.377 6.693
103 HB3 CYS 13 2HB CYS 13 3.824 -3.052 7.939
104 H GLY 14 H GLY 14 7.308 -2.217 6.901
105 HA2 GLY 14 1HA GLY 14 9.096 -3.605 6.496
106 HA3 GLY 14 2HA GLY 14 9.017 -4.087 8.184
107 H GLU 15 H GLU 15 6.242 -4.441 6.122
108 HA GLU 15 HA GLU 15 6.756 -7.335 5.944
109 HB2 GLU 15 1HB GLU 15 4.334 -7.712 6.322
110 HB3 GLU 15 2HB GLU 15 5.146 -7.005 7.712
111 HG2 GLU 15 1HG GLU 15 4.304 -4.772 6.462
112 HG3 GLU 15 2HG GLU 15 3.038 -5.903 5.986
113 H THR 16 H THR 16 5.392 -8.417 4.278
114 HA THR 16 HA THR 16 4.789 -6.618 2.025
115 HB THR 16 HB THR 16 5.570 -8.587 0.553
116 HG1 THR 16 HG1 THR 16 7.213 -9.853 1.592
117 HG21 THR 16 3HG2 THR 16 8.013 -7.576 1.782
118 HG22 THR 16 1HG2 THR 16 6.829 -6.309 1.463
119 HG23 THR 16 2HG2 THR 16 7.390 -7.344 0.149
120 H CYS 17 H CYS 17 2.675 -6.725 1.664
121 HA CYS 17 HA CYS 17 1.171 -9.117 2.322
122 HB2 CYS 17 1HB CYS 17 -0.803 -7.753 1.710
123 HB3 CYS 17 2HB CYS 17 0.208 -6.967 2.918
124 H THR 18 H THR 18 0.255 -10.511 0.903
125 HA THR 18 HA THR 18 0.785 -10.041 -1.959
126 HB THR 18 HB THR 18 0.584 -12.687 -1.962
127 HG1 THR 18 HG1 THR 18 0.516 -13.399 0.031
128 HG21 THR 18 3HG2 THR 18 2.989 -11.023 -1.256
129 HG22 THR 18 1HG2 THR 18 2.522 -11.660 -2.832
130 HG23 THR 18 2HG2 THR 18 3.104 -12.753 -1.576
131 H LEU 19 H LEU 19 -1.620 -9.573 -0.109
132 HA LEU 19 HA LEU 19 -3.578 -10.776 -1.928
133 HB2 LEU 19 1HB LEU 19 -4.914 -10.743 0.472
134 HB3 LEU 19 2HB LEU 19 -4.245 -12.165 -0.325
135 HG LEU 19 HG LEU 19 -2.161 -11.848 1.007
136 HD11 LEU 19 1HD1 LEU 19 -3.478 -10.187 3.011
137 HD12 LEU 19 2HD1 LEU 19 -3.148 -9.342 1.498
138 HD13 LEU 19 3HD1 LEU 19 -1.832 -10.118 2.379
139 HD21 LEU 19 3HD2 LEU 19 -4.020 -13.390 1.651
140 HD22 LEU 19 1HD2 LEU 19 -4.630 -12.119 2.711
141 HD23 LEU 19 2HD2 LEU 19 -3.039 -12.821 3.002
142 H GLY 20 H GLY 20 -2.312 -8.048 -1.244
143 HA2 GLY 20 1HA GLY 20 -3.038 -5.874 -1.455
144 HA3 GLY 20 2HA GLY 20 -4.642 -6.507 -1.794
145 H THR 21 H THR 21 -2.689 -6.993 1.115
146 HA THR 21 HA THR 21 -3.890 -5.039 2.720
147 HB THR 21 HB THR 21 -5.975 -6.218 2.456
148 HG1 THR 21 HG1 THR 21 -6.309 -6.800 4.700
149 HG21 THR 21 3HG2 THR 21 -4.880 -8.416 1.853
150 HG22 THR 21 1HG2 THR 21 -6.288 -8.530 2.908
151 HG23 THR 21 2HG2 THR 21 -4.665 -8.687 3.582
152 H CYS 22 H CYS 22 -2.401 -4.751 4.231
153 HA CYS 22 HA CYS 22 -0.322 -6.518 4.794
154 HB2 CYS 22 1HB CYS 22 -1.411 -4.321 6.566
155 HB3 CYS 22 2HB CYS 22 0.178 -5.064 6.707
156 H SER 23 H SER 23 0.146 -7.220 7.169
157 HA SER 23 HA SER 23 -2.252 -8.561 8.236
158 HB2 SER 23 1HB SER 23 -0.400 -9.959 6.967
159 HB3 SER 23 2HB SER 23 0.442 -9.833 8.512
160 HG SER 23 HG SER 23 -1.194 -10.918 9.498
161 H THR 24 H THR 24 -1.203 -6.052 9.092
162 HA THR 24 HA THR 24 -0.340 -6.768 11.817
163 HB THR 24 HB THR 24 1.491 -5.684 10.510
164 HG1 THR 24 HG1 THR 24 1.938 -5.160 12.513
165 HG21 THR 24 3HG2 THR 24 -0.585 -3.937 9.730
166 HG22 THR 24 1HG2 THR 24 1.117 -3.870 9.274
167 HG23 THR 24 2HG2 THR 24 0.549 -2.988 10.691
168 H GLN 25 H GLN 25 -2.825 -5.634 10.049
169 HA GLN 25 HA GLN 25 -4.666 -4.348 10.440
170 HB2 GLN 25 1HB GLN 25 -4.073 -4.740 13.367
171 HB3 GLN 25 2HB GLN 25 -5.641 -4.559 12.590
172 HG2 GLN 25 1HG GLN 25 -4.858 -6.765 11.350
173 HG3 GLN 25 2HG GLN 25 -3.892 -6.938 12.814
174 HE21 GLN 25 2HE2 GLN 25 -5.843 -8.756 12.172
175 HE22 GLN 25 1HE2 GLN 25 -7.146 -8.627 13.298
176 H GLY 26 H GLY 26 -3.841 -2.385 9.659
177 HA2 GLY 26 1HA GLY 26 -4.162 -0.082 10.826
178 HA3 GLY 26 2HA GLY 26 -2.682 -0.557 11.645
179 H CYS 27 H CYS 27 -1.636 -1.906 9.241
180 HA CYS 27 HA CYS 27 -0.454 0.433 8.024
181 HB2 CYS 27 1HB CYS 27 0.062 -2.513 7.928
182 HB3 CYS 27 2HB CYS 27 0.721 -1.489 6.657
183 H THR 28 H THR 28 -0.096 0.314 5.561
184 HA THR 28 HA THR 28 -2.471 -0.667 4.155
185 HB THR 28 HB THR 28 -1.757 1.922 3.109
186 HG1 THR 28 HG1 THR 28 -2.765 2.000 5.764
187 HG21 THR 28 3HG2 THR 28 -4.248 0.705 4.289
188 HG22 THR 28 1HG2 THR 28 -3.857 0.938 2.586
189 HG23 THR 28 2HG2 THR 28 -4.201 2.332 3.611
190 H CYS 29 H CYS 29 -1.732 -1.904 2.568
191 HA CYS 29 HA CYS 29 0.856 -2.067 1.637
192 HB2 CYS 29 1HB CYS 29 -1.670 -2.667 0.083
193 HB3 CYS 29 2HB CYS 29 -0.061 -3.268 -0.303
Start of MODEL 5
1 H1 SER 1 H SER 1 1.767 0.021 0.895
2 HA SER 1 HA SER 1 1.482 0.513 -1.961
3 HB2 SER 1 1HB SER 1 3.144 1.771 -0.541
4 HB3 SER 1 2HB SER 1 4.039 0.262 -0.365
5 HG SER 1 HG SER 1 3.463 1.625 -2.788
6 H TRP 2 H TRP 2 0.452 -1.812 -1.807
7 HA TRP 2 HA TRP 2 1.866 -4.129 -1.506
8 HB2 TRP 2 1HB TRP 2 -0.514 -4.108 -2.034
9 HB3 TRP 2 2HB TRP 2 -0.172 -3.504 -3.653
10 HD1 TRP 2 HD1 TRP 2 -0.475 -6.680 -1.687
11 HE1 TRP 2 HE1 TRP 2 0.011 -8.696 -3.211
12 HE3 TRP 2 HE3 TRP 2 1.401 -4.198 -5.744
13 HZ2 TRP 2 HZ2 TRP 2 1.053 -9.172 -5.791
14 HZ3 TRP 2 HZ3 TRP 2 2.121 -5.508 -7.698
15 HH2 TRP 2 HH2 TRP 2 1.951 -7.943 -7.719
16 HA PRO 3 HA PRO 3 2.420 -6.089 -2.187
17 HB2 PRO 3 1HB PRO 3 4.913 -7.116 -1.870
18 HB3 PRO 3 2HB PRO 3 3.883 -7.505 -3.252
19 HG2 PRO 3 1HG PRO 3 6.131 -5.538 -3.059
20 HG3 PRO 3 2HG PRO 3 5.755 -6.682 -4.360
21 HD2 PRO 3 1HD PRO 3 5.120 -4.054 -4.503
22 HD3 PRO 3 2HD PRO 3 4.130 -5.318 -5.261
23 H ILE 4 H ILE 4 5.247 -3.970 -1.844
24 HA ILE 4 HA ILE 4 5.878 -4.274 0.792
25 HB ILE 4 HB ILE 4 5.688 -1.570 -0.531
26 HG12 ILE 4 1HG1 ILE 4 6.851 -2.980 -2.077
27 HG13 ILE 4 2HG1 ILE 4 8.068 -2.035 -1.227
28 HG21 ILE 4 1HG2 ILE 4 7.312 -2.684 1.738
29 HG22 ILE 4 2HG2 ILE 4 7.760 -1.202 0.895
30 HG23 ILE 4 3HG2 ILE 4 6.218 -1.301 1.745
31 HD11 ILE 4 3HD1 ILE 4 8.482 -3.970 0.246
32 HD12 ILE 4 1HD1 ILE 4 7.339 -4.907 -0.716
33 HD13 ILE 4 2HD1 ILE 4 8.822 -4.298 -1.453
34 H CYS 5 H CYS 5 5.334 -3.063 2.713
35 HA CYS 5 HA CYS 5 2.534 -2.144 2.737
36 HB2 CYS 5 1HB CYS 5 3.974 -4.055 4.486
37 HB3 CYS 5 2HB CYS 5 2.887 -2.930 5.293
38 H LYS 6 H LYS 6 2.085 -0.257 3.750
39 HA LYS 6 HA LYS 6 4.101 0.999 5.440
40 HB2 LYS 6 1HB LYS 6 3.285 1.965 2.745
41 HB3 LYS 6 2HB LYS 6 3.511 3.171 4.006
42 HG2 LYS 6 1HG LYS 6 5.672 3.147 3.530
43 HG3 LYS 6 2HG LYS 6 5.741 1.510 4.188
44 HD2 LYS 6 1HD LYS 6 5.513 0.530 2.070
45 HD3 LYS 6 2HD LYS 6 4.928 2.029 1.344
46 HE2 LYS 6 1HE LYS 6 7.203 1.621 0.643
47 HE3 LYS 6 2HE LYS 6 7.154 3.032 1.698
48 HZ1 LYS 6 3HZ LYS 6 7.579 0.661 3.198
49 HZ2 LYS 6 1HZ LYS 6 8.535 2.053 3.107
50 HZ3 LYS 6 2HZ LYS 6 8.748 0.807 1.984
51 H ARG 7 H ARG 7 3.239 2.225 7.032
52 HA ARG 7 HA ARG 7 0.370 2.187 7.338
53 HB2 ARG 7 1HB ARG 7 1.804 1.734 9.263
54 HB3 ARG 7 2HB ARG 7 2.542 3.323 9.108
55 HG2 ARG 7 1HG ARG 7 1.045 3.971 10.623
56 HG3 ARG 7 2HG ARG 7 -0.117 3.934 9.295
57 HD2 ARG 7 1HD ARG 7 -0.803 1.714 9.874
58 HD3 ARG 7 2HD ARG 7 0.489 1.573 11.065
59 HE ARG 7 HE ARG 7 -0.860 2.634 12.563
60 HH11 ARG 7 1HH1 ARG 7 -1.981 3.368 9.350
61 HH12 ARG 7 2HH1 ARG 7 -3.379 4.234 9.895
62 HH21 ARG 7 1HH2 ARG 7 -2.697 3.772 13.293
63 HH22 ARG 7 2HH2 ARG 7 -3.784 4.464 12.138
64 H ASN 8 H ASN 8 2.718 4.843 7.747
65 HA ASN 8 HA ASN 8 0.672 6.689 6.725
66 HB2 ASN 8 1HB ASN 8 2.926 6.976 8.668
67 HB3 ASN 8 2HB ASN 8 2.410 8.393 7.759
68 HD21 ASN 8 2HD2 ASN 8 0.509 5.698 9.026
69 HD22 ASN 8 1HD2 ASN 8 -0.493 6.659 10.055
70 H GLY 9 H GLY 9 2.319 5.043 4.994
71 HA2 GLY 9 1HA GLY 9 3.200 5.444 2.880
72 HA3 GLY 9 2HA GLY 9 3.303 7.153 3.278
73 H LEU 10 H LEU 10 4.664 4.852 5.470
74 HA LEU 10 HA LEU 10 7.349 5.292 4.378
75 HB2 LEU 10 1HB LEU 10 6.642 5.660 7.284
76 HB3 LEU 10 2HB LEU 10 8.236 5.846 6.557
77 HG LEU 10 HG LEU 10 6.162 7.588 5.421
78 HD11 LEU 10 1HD1 LEU 10 5.329 8.364 7.325
79 HD12 LEU 10 2HD1 LEU 10 6.938 8.970 7.714
80 HD13 LEU 10 3HD1 LEU 10 6.436 7.377 8.280
81 HD21 LEU 10 3HD2 LEU 10 8.187 8.249 4.671
82 HD22 LEU 10 1HD2 LEU 10 9.037 7.623 6.084
83 HD23 LEU 10 2HD2 LEU 10 8.198 9.171 6.175
84 HA PRO 11 HA PRO 11 7.994 1.042 5.276
85 HB2 PRO 11 1HB PRO 11 10.669 1.016 5.741
86 HB3 PRO 11 2HB PRO 11 9.976 1.229 4.129
87 HG2 PRO 11 1HG PRO 11 11.031 3.292 6.024
88 HG3 PRO 11 2HG PRO 11 11.268 3.157 4.272
89 HD2 PRO 11 1HD PRO 11 9.476 4.862 5.372
90 HD3 PRO 11 2HD PRO 11 9.215 4.089 3.795
91 H VAL 12 H VAL 12 6.715 1.469 7.341
92 HA VAL 12 HA VAL 12 8.461 1.194 9.700
93 HB VAL 12 HB VAL 12 6.660 2.045 11.065
94 HG11 VAL 12 1HG1 VAL 12 6.419 4.340 10.052
95 HG12 VAL 12 2HG1 VAL 12 8.074 3.747 10.207
96 HG13 VAL 12 3HG1 VAL 12 7.268 3.718 8.638
97 HG21 VAL 12 3HG2 VAL 12 4.555 2.832 10.084
98 HG22 VAL 12 1HG2 VAL 12 5.066 2.221 8.510
99 HG23 VAL 12 2HG2 VAL 12 4.778 1.100 9.840
100 H CYS 13 H CYS 13 5.883 -0.210 7.850
101 HA CYS 13 HA CYS 13 5.069 -2.117 9.820
102 HB2 CYS 13 1HB CYS 13 4.674 -2.371 6.841
103 HB3 CYS 13 2HB CYS 13 3.679 -3.043 8.129
104 H GLY 14 H GLY 14 7.439 -2.043 7.241
105 HA2 GLY 14 1HA GLY 14 9.045 -3.549 6.586
106 HA3 GLY 14 2HA GLY 14 9.072 -4.017 8.279
107 H GLU 15 H GLU 15 6.614 -4.394 5.731
108 HA GLU 15 HA GLU 15 6.967 -7.277 5.777
109 HB2 GLU 15 1HB GLU 15 4.399 -7.486 6.081
110 HB3 GLU 15 2HB GLU 15 5.411 -7.262 7.501
111 HG2 GLU 15 1HG GLU 15 4.535 -5.256 7.973
112 HG3 GLU 15 2HG GLU 15 4.445 -4.779 6.278
113 H THR 16 H THR 16 5.530 -8.353 4.153
114 HA THR 16 HA THR 16 4.848 -6.538 1.937
115 HB THR 16 HB THR 16 5.599 -8.485 0.420
116 HG1 THR 16 HG1 THR 16 7.424 -9.620 1.494
117 HG21 THR 16 3HG2 THR 16 7.409 -7.236 -0.029
118 HG22 THR 16 1HG2 THR 16 8.063 -7.441 1.595
119 HG23 THR 16 2HG2 THR 16 6.852 -6.197 1.282
120 H CYS 17 H CYS 17 2.729 -6.668 1.621
121 HA CYS 17 HA CYS 17 1.264 -9.071 2.322
122 HB2 CYS 17 1HB CYS 17 -0.737 -7.729 1.759
123 HB3 CYS 17 2HB CYS 17 0.301 -6.922 2.929
124 H THR 18 H THR 18 0.375 -10.503 0.936
125 HA THR 18 HA THR 18 0.727 -9.995 -1.947
126 HB THR 18 HB THR 18 0.819 -12.610 -2.033
127 HG1 THR 18 HG1 THR 18 0.589 -13.236 0.034
128 HG21 THR 18 3HG2 THR 18 2.680 -11.444 -2.834
129 HG22 THR 18 1HG2 THR 18 3.347 -12.450 -1.549
130 HG23 THR 18 2HG2 THR 18 3.035 -10.739 -1.257
131 H LEU 19 H LEU 19 -1.597 -9.672 -0.034
132 HA LEU 19 HA LEU 19 -3.536 -11.120 -1.685
133 HB2 LEU 19 1HB LEU 19 -4.742 -11.090 0.784
134 HB3 LEU 19 2HB LEU 19 -4.002 -12.487 0.005
135 HG LEU 19 HG LEU 19 -1.881 -11.941 1.202
136 HD11 LEU 19 1HD1 LEU 19 -1.628 -10.070 2.366
137 HD12 LEU 19 2HD1 LEU 19 -3.106 -10.370 3.279
138 HD13 LEU 19 3HD1 LEU 19 -3.183 -9.531 1.730
139 HD21 LEU 19 3HD2 LEU 19 -4.248 -12.375 3.018
140 HD22 LEU 19 1HD2 LEU 19 -2.581 -12.876 3.301
141 HD23 LEU 19 2HD2 LEU 19 -3.518 -13.624 2.008
142 H GLY 20 H GLY 20 -2.475 -8.270 -1.187
143 HA2 GLY 20 1HA GLY 20 -3.412 -6.185 -1.486
144 HA3 GLY 20 2HA GLY 20 -4.980 -6.966 -1.625
145 H THR 21 H THR 21 -2.742 -7.136 1.103
146 HA THR 21 HA THR 21 -3.917 -5.169 2.709
147 HB THR 21 HB THR 21 -5.942 -6.467 2.708
148 HG1 THR 21 HG1 THR 21 -5.553 -5.623 4.722
149 HG21 THR 21 3HG2 THR 21 -4.280 -8.795 3.679
150 HG22 THR 21 1HG2 THR 21 -4.947 -8.628 2.056
151 HG23 THR 21 2HG2 THR 21 -6.027 -8.785 3.441
152 H CYS 22 H CYS 22 -2.608 -4.796 4.397
153 HA CYS 22 HA CYS 22 -0.253 -6.322 4.748
154 HB2 CYS 22 1HB CYS 22 -1.495 -4.127 6.412
155 HB3 CYS 22 2HB CYS 22 0.080 -4.833 6.761
156 H SER 23 H SER 23 0.438 -7.542 6.550
157 HA SER 23 HA SER 23 -1.510 -9.322 7.576
158 HB2 SER 23 1HB SER 23 1.265 -9.306 7.354
159 HB3 SER 23 2HB SER 23 0.975 -9.298 9.094
160 HG SER 23 HG SER 23 0.885 -11.399 8.608
161 H THR 24 H THR 24 0.046 -6.455 8.851
162 HA THR 24 HA THR 24 -0.979 -6.834 11.521
163 HB THR 24 HB THR 24 1.173 -5.635 11.037
164 HG1 THR 24 HG1 THR 24 -0.187 -5.342 12.993
165 HG21 THR 24 3HG2 THR 24 -0.404 -4.179 9.262
166 HG22 THR 24 1HG2 THR 24 1.263 -3.833 9.720
167 HG23 THR 24 2HG2 THR 24 -0.067 -3.059 10.582
168 H GLN 25 H GLN 25 -2.070 -4.725 12.476
169 HA GLN 25 HA GLN 25 -4.378 -4.143 10.742
170 HB2 GLN 25 1HB GLN 25 -4.512 -5.395 13.091
171 HB3 GLN 25 2HB GLN 25 -4.533 -3.740 13.688
172 HG2 GLN 25 1HG GLN 25 -6.460 -3.286 12.190
173 HG3 GLN 25 2HG GLN 25 -6.477 -4.998 11.767
174 HE21 GLN 25 2HE2 GLN 25 -7.975 -6.079 12.805
175 HE22 GLN 25 1HE2 GLN 25 -8.512 -5.794 14.422
176 H GLY 26 H GLY 26 -3.985 -2.220 9.805
177 HA2 GLY 26 1HA GLY 26 -4.426 0.192 10.562
178 HA3 GLY 26 2HA GLY 26 -2.954 -0.038 11.494
179 H CYS 27 H CYS 27 -1.682 -1.649 9.401
180 HA CYS 27 HA CYS 27 -0.521 0.507 7.921
181 HB2 CYS 27 1HB CYS 27 -0.094 -2.467 8.000
182 HB3 CYS 27 2HB CYS 27 0.681 -1.484 6.762
183 H THR 28 H THR 28 -0.309 0.524 5.565
184 HA THR 28 HA THR 28 -2.582 -0.701 4.161
185 HB THR 28 HB THR 28 -1.977 1.896 3.050
186 HG1 THR 28 HG1 THR 28 -2.976 3.023 4.910
187 HG21 THR 28 3HG2 THR 28 -4.010 0.624 2.591
188 HG22 THR 28 1HG2 THR 28 -4.404 2.190 3.298
189 HG23 THR 28 2HG2 THR 28 -4.475 0.732 4.288
190 H CYS 29 H CYS 29 -1.822 -1.908 2.563
191 HA CYS 29 HA CYS 29 0.781 -2.026 1.666
192 HB2 CYS 29 1HB CYS 29 -1.720 -2.687 0.096
193 HB3 CYS 29 2HB CYS 29 -0.095 -3.244 -0.289
Start of MODEL 6
1 H1 SER 1 H SER 1 1.731 -0.003 0.697
2 HA SER 1 HA SER 1 1.505 0.456 -2.169
3 HB2 SER 1 1HB SER 1 3.159 1.654 -0.593
4 HB3 SER 1 2HB SER 1 4.086 0.155 -0.644
5 HG SER 1 HG SER 1 4.730 1.692 -2.247
6 H TRP 2 H TRP 2 0.468 -1.878 -1.979
7 HA TRP 2 HA TRP 2 1.884 -4.187 -1.646
8 HB2 TRP 2 1HB TRP 2 -0.491 -4.176 -2.199
9 HB3 TRP 2 2HB TRP 2 -0.133 -3.589 -3.821
10 HD1 TRP 2 HD1 TRP 2 -0.450 -6.744 -1.823
11 HE1 TRP 2 HE1 TRP 2 0.057 -8.776 -3.320
12 HE3 TRP 2 HE3 TRP 2 1.463 -4.303 -5.888
13 HZ2 TRP 2 HZ2 TRP 2 1.126 -9.278 -5.883
14 HZ3 TRP 2 HZ3 TRP 2 2.205 -5.633 -7.821
15 HH2 TRP 2 HH2 TRP 2 2.040 -8.069 -7.816
16 HA PRO 3 HA PRO 3 2.447 -6.154 -2.301
17 HB2 PRO 3 1HB PRO 3 4.939 -7.173 -1.948
18 HB3 PRO 3 2HB PRO 3 3.923 -7.577 -3.338
19 HG2 PRO 3 1HG PRO 3 6.167 -5.605 -3.141
20 HG3 PRO 3 2HG PRO 3 5.806 -6.764 -4.434
21 HD2 PRO 3 1HD PRO 3 5.169 -4.138 -4.610
22 HD3 PRO 3 2HD PRO 3 4.189 -5.411 -5.365
23 H ILE 4 H ILE 4 5.313 -4.080 -1.940
24 HA ILE 4 HA ILE 4 5.883 -4.346 0.710
25 HB ILE 4 HB ILE 4 5.770 -1.666 -0.673
26 HG12 ILE 4 1HG1 ILE 4 6.955 -3.143 -2.143
27 HG13 ILE 4 2HG1 ILE 4 8.156 -2.178 -1.291
28 HG21 ILE 4 1HG2 ILE 4 7.807 -1.298 0.807
29 HG22 ILE 4 2HG2 ILE 4 6.236 -1.338 1.606
30 HG23 ILE 4 3HG2 ILE 4 7.297 -2.744 1.678
31 HD11 ILE 4 3HD1 ILE 4 8.972 -4.387 -1.352
32 HD12 ILE 4 1HD1 ILE 4 8.411 -4.110 0.297
33 HD13 ILE 4 2HD1 ILE 4 7.425 -5.050 -0.823
34 H CYS 5 H CYS 5 5.324 -3.102 2.603
35 HA CYS 5 HA CYS 5 2.550 -2.108 2.557
36 HB2 CYS 5 1HB CYS 5 3.878 -4.072 4.335
37 HB3 CYS 5 2HB CYS 5 2.816 -2.908 5.122
38 H LYS 6 H LYS 6 2.050 -0.357 3.893
39 HA LYS 6 HA LYS 6 4.099 0.872 5.516
40 HB2 LYS 6 1HB LYS 6 3.373 1.897 2.823
41 HB3 LYS 6 2HB LYS 6 3.552 3.087 4.106
42 HG2 LYS 6 1HG LYS 6 5.721 3.076 3.646
43 HG3 LYS 6 2HG LYS 6 5.779 1.477 4.391
44 HD2 LYS 6 1HD LYS 6 5.521 0.400 2.281
45 HD3 LYS 6 2HD LYS 6 5.149 1.928 1.479
46 HE2 LYS 6 1HE LYS 6 7.704 1.974 2.872
47 HE3 LYS 6 2HE LYS 6 7.628 0.722 1.633
48 HZ1 LYS 6 3HZ LYS 6 8.248 3.283 1.156
49 HZ2 LYS 6 1HZ LYS 6 6.589 3.297 0.825
50 HZ3 LYS 6 2HZ LYS 6 7.608 2.231 -0.004
51 H ARG 7 H ARG 7 3.266 2.219 7.058
52 HA ARG 7 HA ARG 7 0.409 2.141 7.421
53 HB2 ARG 7 1HB ARG 7 1.766 1.824 9.370
54 HB3 ARG 7 2HB ARG 7 2.652 3.312 9.065
55 HG2 ARG 7 1HG ARG 7 1.097 4.587 10.048
56 HG3 ARG 7 2HG ARG 7 -0.240 3.665 9.356
57 HD2 ARG 7 1HD ARG 7 -0.351 2.239 11.122
58 HD3 ARG 7 2HD ARG 7 1.381 2.323 11.437
59 HE ARG 7 HE ARG 7 0.304 4.806 12.068
60 HH11 ARG 7 1HH1 ARG 7 0.059 1.509 13.158
61 HH12 ARG 7 2HH1 ARG 7 -0.310 1.940 14.795
62 HH21 ARG 7 1HH2 ARG 7 -0.180 5.386 14.220
63 HH22 ARG 7 2HH2 ARG 7 -0.446 4.145 15.398
64 H ASN 8 H ASN 8 2.589 4.920 7.840
65 HA ASN 8 HA ASN 8 0.510 6.634 6.690
66 HB2 ASN 8 1HB ASN 8 2.702 7.028 8.656
67 HB3 ASN 8 2HB ASN 8 2.308 8.400 7.624
68 HD21 ASN 8 2HD2 ASN 8 0.223 5.892 8.988
69 HD22 ASN 8 1HD2 ASN 8 -0.786 6.972 9.882
70 H GLY 9 H GLY 9 2.419 4.922 5.143
71 HA2 GLY 9 1HA GLY 9 3.165 5.297 2.943
72 HA3 GLY 9 2HA GLY 9 3.260 7.017 3.292
73 H LEU 10 H LEU 10 4.649 4.932 5.628
74 HA LEU 10 HA LEU 10 7.327 5.324 4.479
75 HB2 LEU 10 1HB LEU 10 6.610 5.729 7.378
76 HB3 LEU 10 2HB LEU 10 8.206 5.918 6.655
77 HG LEU 10 HG LEU 10 6.095 7.620 5.505
78 HD11 LEU 10 1HD1 LEU 10 7.176 8.621 8.066
79 HD12 LEU 10 2HD1 LEU 10 5.889 7.419 8.163
80 HD13 LEU 10 3HD1 LEU 10 5.623 8.927 7.288
81 HD21 LEU 10 3HD2 LEU 10 8.922 7.517 5.683
82 HD22 LEU 10 1HD2 LEU 10 8.384 9.008 6.458
83 HD23 LEU 10 2HD2 LEU 10 7.917 8.662 4.792
84 HA PRO 11 HA PRO 11 8.047 1.101 5.441
85 HB2 PRO 11 1HB PRO 11 10.719 1.128 5.918
86 HB3 PRO 11 2HB PRO 11 10.030 1.307 4.300
87 HG2 PRO 11 1HG PRO 11 11.040 3.413 6.172
88 HG3 PRO 11 2HG PRO 11 11.288 3.259 4.423
89 HD2 PRO 11 1HD PRO 11 9.461 4.948 5.492
90 HD3 PRO 11 2HD PRO 11 9.221 4.149 3.924
91 H VAL 12 H VAL 12 6.751 1.542 7.496
92 HA VAL 12 HA VAL 12 8.492 1.311 9.863
93 HB VAL 12 HB VAL 12 6.685 2.175 11.214
94 HG11 VAL 12 1HG1 VAL 12 7.282 3.826 8.767
95 HG12 VAL 12 2HG1 VAL 12 6.456 4.459 10.193
96 HG13 VAL 12 3HG1 VAL 12 8.110 3.859 10.324
97 HG21 VAL 12 3HG2 VAL 12 4.613 1.705 10.504
98 HG22 VAL 12 1HG2 VAL 12 4.762 3.173 9.538
99 HG23 VAL 12 2HG2 VAL 12 5.116 1.603 8.817
100 H CYS 13 H CYS 13 5.979 -0.154 7.995
101 HA CYS 13 HA CYS 13 5.212 -2.057 10.019
102 HB2 CYS 13 1HB CYS 13 4.629 -2.277 7.070
103 HB3 CYS 13 2HB CYS 13 3.702 -2.933 8.416
104 H GLY 14 H GLY 14 7.361 -1.969 7.240
105 HA2 GLY 14 1HA GLY 14 8.927 -3.461 6.467
106 HA3 GLY 14 2HA GLY 14 9.077 -3.950 8.148
107 H GLU 15 H GLU 15 6.474 -4.297 5.740
108 HA GLU 15 HA GLU 15 6.772 -7.199 5.868
109 HB2 GLU 15 1HB GLU 15 4.331 -7.488 6.232
110 HB3 GLU 15 2HB GLU 15 5.159 -6.772 7.608
111 HG2 GLU 15 1HG GLU 15 4.427 -4.522 6.496
112 HG3 GLU 15 2HG GLU 15 3.224 -5.543 5.710
113 H THR 16 H THR 16 5.335 -8.292 4.244
114 HA THR 16 HA THR 16 4.789 -6.561 1.929
115 HB THR 16 HB THR 16 5.577 -8.556 0.507
116 HG1 THR 16 HG1 THR 16 7.166 -9.124 2.786
117 HG21 THR 16 3HG2 THR 16 8.017 -7.550 1.743
118 HG22 THR 16 1HG2 THR 16 6.850 -6.276 1.396
119 HG23 THR 16 2HG2 THR 16 7.411 -7.334 0.102
120 H CYS 17 H CYS 17 2.679 -6.679 1.550
121 HA CYS 17 HA CYS 17 1.175 -9.058 2.262
122 HB2 CYS 17 1HB CYS 17 -0.802 -7.712 1.650
123 HB3 CYS 17 2HB CYS 17 0.223 -6.885 2.819
124 H THR 18 H THR 18 0.300 -10.495 0.871
125 HA THR 18 HA THR 18 0.754 -10.035 -2.007
126 HB THR 18 HB THR 18 0.714 -12.687 -1.988
127 HG1 THR 18 HG1 THR 18 2.005 -13.266 -0.016
128 HG21 THR 18 3HG2 THR 18 2.666 -12.032 -2.885
129 HG22 THR 18 1HG2 THR 18 3.333 -12.312 -1.278
130 HG23 THR 18 2HG2 THR 18 2.840 -10.688 -1.757
131 H LEU 19 H LEU 19 -1.621 -9.708 -0.079
132 HA LEU 19 HA LEU 19 -3.552 -11.079 -1.816
133 HB2 LEU 19 1HB LEU 19 -4.849 -11.009 0.590
134 HB3 LEU 19 2HB LEU 19 -4.073 -12.423 -0.119
135 HG LEU 19 HG LEU 19 -2.021 -11.876 1.176
136 HD11 LEU 19 1HD1 LEU 19 -1.791 -9.924 2.197
137 HD12 LEU 19 2HD1 LEU 19 -3.231 -10.232 3.167
138 HD13 LEU 19 3HD1 LEU 19 -3.377 -9.438 1.599
139 HD21 LEU 19 3HD2 LEU 19 -3.977 -13.392 1.929
140 HD22 LEU 19 1HD2 LEU 19 -4.321 -12.099 3.078
141 HD23 LEU 19 2HD2 LEU 19 -2.758 -12.916 3.112
142 H GLY 20 H GLY 20 -2.396 -8.231 -1.031
143 HA2 GLY 20 1HA GLY 20 -3.267 -6.125 -1.456
144 HA3 GLY 20 2HA GLY 20 -4.850 -6.858 -1.672
145 H THR 21 H THR 21 -2.727 -7.086 1.147
146 HA THR 21 HA THR 21 -3.905 -5.107 2.720
147 HB THR 21 HB THR 21 -5.986 -6.260 2.659
148 HG1 THR 21 HG1 THR 21 -6.188 -6.087 4.756
149 HG21 THR 21 3HG2 THR 21 -4.540 -8.767 3.518
150 HG22 THR 21 1HG2 THR 21 -5.081 -8.435 1.873
151 HG23 THR 21 2HG2 THR 21 -6.262 -8.605 3.173
152 H CYS 22 H CYS 22 -2.375 -4.733 4.171
153 HA CYS 22 HA CYS 22 -0.214 -6.382 4.704
154 HB2 CYS 22 1HB CYS 22 -1.394 -4.232 6.476
155 HB3 CYS 22 2HB CYS 22 0.221 -4.913 6.644
156 H SER 23 H SER 23 0.407 -7.393 6.766
157 HA SER 23 HA SER 23 -1.649 -9.196 7.644
158 HB2 SER 23 1HB SER 23 1.098 -9.347 7.449
159 HB3 SER 23 2HB SER 23 0.841 -9.216 9.188
160 HG SER 23 HG SER 23 -0.466 -11.025 9.109
161 H THR 24 H THR 24 0.167 -6.520 9.066
162 HA THR 24 HA THR 24 -0.968 -6.803 11.671
163 HB THR 24 HB THR 24 1.217 -5.666 11.209
164 HG1 THR 24 HG1 THR 24 0.681 -5.030 13.161
165 HG21 THR 24 3HG2 THR 24 1.392 -3.667 10.123
166 HG22 THR 24 1HG2 THR 24 -0.228 -3.147 10.587
167 HG23 THR 24 2HG2 THR 24 -0.016 -4.308 9.276
168 H GLN 25 H GLN 25 -2.030 -4.700 12.631
169 HA GLN 25 HA GLN 25 -4.301 -4.040 10.878
170 HB2 GLN 25 1HB GLN 25 -4.076 -4.628 13.780
171 HB3 GLN 25 2HB GLN 25 -5.246 -3.404 13.305
172 HG2 GLN 25 1HG GLN 25 -6.676 -5.037 12.892
173 HG3 GLN 25 2HG GLN 25 -5.654 -5.515 11.537
174 HE21 GLN 25 2HE2 GLN 25 -7.330 -7.062 13.455
175 HE22 GLN 25 1HE2 GLN 25 -6.270 -8.263 14.103
176 H GLY 26 H GLY 26 -3.842 -2.126 9.950
177 HA2 GLY 26 1HA GLY 26 -4.229 0.294 10.691
178 HA3 GLY 26 2HA GLY 26 -2.793 0.027 11.669
179 H CYS 27 H CYS 27 -1.841 -1.740 9.317
180 HA CYS 27 HA CYS 27 -0.538 0.459 7.909
181 HB2 CYS 27 1HB CYS 27 0.019 -2.493 8.132
182 HB3 CYS 27 2HB CYS 27 0.828 -1.492 6.930
183 H THR 28 H THR 28 -0.318 0.428 5.585
184 HA THR 28 HA THR 28 -2.474 -1.017 4.196
185 HB THR 28 HB THR 28 -3.174 1.323 4.546
186 HG1 THR 28 HG1 THR 28 -3.972 1.408 2.553
187 HG21 THR 28 3HG2 THR 28 -1.085 2.479 4.635
188 HG22 THR 28 1HG2 THR 28 -1.959 3.091 3.232
189 HG23 THR 28 2HG2 THR 28 -0.646 1.933 3.017
190 H CYS 29 H CYS 29 -2.027 -1.717 2.133
191 HA CYS 29 HA CYS 29 0.733 -2.044 1.471
192 HB2 CYS 29 1HB CYS 29 -1.729 -2.700 -0.162
193 HB3 CYS 29 2HB CYS 29 -0.097 -3.280 -0.478
Start of MODEL 7
1 H1 SER 1 H SER 1 1.689 0.033 0.745
2 HA SER 1 HA SER 1 1.427 0.488 -2.120
3 HB2 SER 1 1HB SER 1 3.019 1.809 -0.644
4 HB3 SER 1 2HB SER 1 3.988 0.341 -0.523
5 HG SER 1 HG SER 1 3.432 1.913 -2.800
6 H TRP 2 H TRP 2 0.494 -1.885 -1.933
7 HA TRP 2 HA TRP 2 1.996 -4.134 -1.595
8 HB2 TRP 2 1HB TRP 2 -0.373 -4.215 -2.169
9 HB3 TRP 2 2HB TRP 2 -0.023 -3.615 -3.788
10 HD1 TRP 2 HD1 TRP 2 -0.234 -6.779 -1.790
11 HE1 TRP 2 HE1 TRP 2 0.364 -8.791 -3.281
12 HE3 TRP 2 HE3 TRP 2 1.616 -4.267 -5.840
13 HZ2 TRP 2 HZ2 TRP 2 1.474 -9.252 -5.835
14 HZ3 TRP 2 HZ3 TRP 2 2.426 -5.568 -7.765
15 HH2 TRP 2 HH2 TRP 2 2.356 -8.008 -7.761
16 HA PRO 3 HA PRO 3 2.641 -6.077 -2.246
17 HB2 PRO 3 1HB PRO 3 5.167 -6.999 -1.871
18 HB3 PRO 3 2HB PRO 3 4.181 -7.441 -3.270
19 HG2 PRO 3 1HG PRO 3 6.344 -5.383 -3.053
20 HG3 PRO 3 2HG PRO 3 6.040 -6.554 -4.349
21 HD2 PRO 3 1HD PRO 3 5.302 -3.955 -4.530
22 HD3 PRO 3 2HD PRO 3 4.379 -5.265 -5.294
23 H ILE 4 H ILE 4 5.421 -3.894 -1.859
24 HA ILE 4 HA ILE 4 5.973 -4.141 0.798
25 HB ILE 4 HB ILE 4 5.781 -1.465 -0.583
26 HG12 ILE 4 1HG1 ILE 4 7.025 -2.893 -2.051
27 HG13 ILE 4 2HG1 ILE 4 8.189 -1.897 -1.185
28 HG21 ILE 4 1HG2 ILE 4 7.339 -2.498 1.768
29 HG22 ILE 4 2HG2 ILE 4 7.789 -1.025 0.910
30 HG23 ILE 4 3HG2 ILE 4 6.219 -1.137 1.705
31 HD11 ILE 4 3HD1 ILE 4 9.220 -3.894 -0.976
32 HD12 ILE 4 1HD1 ILE 4 8.174 -3.998 0.440
33 HD13 ILE 4 2HD1 ILE 4 7.714 -4.808 -1.058
34 H CYS 5 H CYS 5 5.348 -2.925 2.686
35 HA CYS 5 HA CYS 5 2.562 -1.972 2.601
36 HB2 CYS 5 1HB CYS 5 3.784 -4.076 4.236
37 HB3 CYS 5 2HB CYS 5 2.886 -2.889 5.175
38 H LYS 6 H LYS 6 2.053 -0.197 3.841
39 HA LYS 6 HA LYS 6 4.067 0.958 5.592
40 HB2 LYS 6 1HB LYS 6 3.079 2.302 3.079
41 HB3 LYS 6 2HB LYS 6 3.794 3.197 4.414
42 HG2 LYS 6 1HG LYS 6 5.701 2.899 3.282
43 HG3 LYS 6 2HG LYS 6 5.676 1.294 4.017
44 HD2 LYS 6 1HD LYS 6 4.876 0.285 2.072
45 HD3 LYS 6 2HD LYS 6 4.298 1.813 1.405
46 HE2 LYS 6 1HE LYS 6 7.215 1.269 1.882
47 HE3 LYS 6 2HE LYS 6 6.409 0.816 0.381
48 HZ1 LYS 6 3HZ LYS 6 5.673 3.252 0.334
49 HZ2 LYS 6 1HZ LYS 6 7.280 2.901 -0.062
50 HZ3 LYS 6 2HZ LYS 6 6.901 3.515 1.468
51 H ARG 7 H ARG 7 3.224 2.283 7.164
52 HA ARG 7 HA ARG 7 0.356 2.140 7.518
53 HB2 ARG 7 1HB ARG 7 1.817 1.708 9.424
54 HB3 ARG 7 2HB ARG 7 2.523 3.312 9.270
55 HG2 ARG 7 1HG ARG 7 1.012 4.017 10.726
56 HG3 ARG 7 2HG ARG 7 -0.210 3.765 9.479
57 HD2 ARG 7 1HD ARG 7 -1.147 2.316 10.894
58 HD3 ARG 7 2HD ARG 7 0.186 1.236 10.488
59 HE ARG 7 HE ARG 7 0.814 3.061 12.609
60 HH11 ARG 7 1HH1 ARG 7 -0.669 0.011 11.823
61 HH12 ARG 7 2HH1 ARG 7 -0.439 -0.657 13.405
62 HH21 ARG 7 1HH2 ARG 7 1.123 2.193 14.696
63 HH22 ARG 7 2HH2 ARG 7 0.580 0.585 15.039
64 H ASN 8 H ASN 8 2.694 4.826 7.791
65 HA ASN 8 HA ASN 8 0.564 6.657 6.931
66 HB2 ASN 8 1HB ASN 8 3.167 7.618 8.051
67 HB3 ASN 8 2HB ASN 8 1.565 8.340 8.169
68 HD21 ASN 8 2HD2 ASN 8 0.046 6.335 9.137
69 HD22 ASN 8 1HD2 ASN 8 0.593 5.866 10.708
70 H GLY 9 H GLY 9 2.427 4.914 5.261
71 HA2 GLY 9 1HA GLY 9 2.965 5.344 2.992
72 HA3 GLY 9 2HA GLY 9 3.148 7.047 3.385
73 H LEU 10 H LEU 10 4.615 4.712 5.465
74 HA LEU 10 HA LEU 10 7.214 5.070 4.156
75 HB2 LEU 10 1HB LEU 10 6.756 5.463 7.109
76 HB3 LEU 10 2HB LEU 10 8.291 5.603 6.253
77 HG LEU 10 HG LEU 10 6.185 7.401 5.278
78 HD11 LEU 10 1HD1 LEU 10 7.415 8.302 7.811
79 HD12 LEU 10 2HD1 LEU 10 6.084 7.153 7.934
80 HD13 LEU 10 3HD1 LEU 10 5.847 8.692 7.106
81 HD21 LEU 10 3HD2 LEU 10 8.988 7.194 5.257
82 HD22 LEU 10 1HD2 LEU 10 8.601 8.644 6.183
83 HD23 LEU 10 2HD2 LEU 10 7.990 8.459 4.539
84 HA PRO 11 HA PRO 11 7.807 0.805 5.018
85 HB2 PRO 11 1HB PRO 11 10.509 0.702 5.267
86 HB3 PRO 11 2HB PRO 11 9.695 0.932 3.714
87 HG2 PRO 11 1HG PRO 11 10.958 2.967 5.511
88 HG3 PRO 11 2HG PRO 11 11.050 2.822 3.746
89 HD2 PRO 11 1HD PRO 11 9.401 4.581 4.979
90 HD3 PRO 11 2HD PRO 11 8.993 3.813 3.432
91 H VAL 12 H VAL 12 6.710 1.249 7.173
92 HA VAL 12 HA VAL 12 8.633 0.912 9.383
93 HB VAL 12 HB VAL 12 6.999 1.853 10.891
94 HG11 VAL 12 1HG1 VAL 12 6.803 4.158 9.913
95 HG12 VAL 12 2HG1 VAL 12 8.429 3.472 9.891
96 HG13 VAL 12 3HG1 VAL 12 7.463 3.503 8.415
97 HG21 VAL 12 3HG2 VAL 12 4.921 1.146 10.076
98 HG22 VAL 12 1HG2 VAL 12 4.906 2.895 9.845
99 HG23 VAL 12 2HG2 VAL 12 5.215 1.827 8.476
100 H CYS 13 H CYS 13 5.892 -0.389 7.725
101 HA CYS 13 HA CYS 13 5.119 -2.239 9.771
102 HB2 CYS 13 1HB CYS 13 4.501 -2.495 6.831
103 HB3 CYS 13 2HB CYS 13 3.567 -3.102 8.195
104 H GLY 14 H GLY 14 7.099 -2.404 6.843
105 HA2 GLY 14 1HA GLY 14 8.618 -3.966 6.123
106 HA3 GLY 14 2HA GLY 14 8.810 -4.386 7.818
107 H GLU 15 H GLU 15 5.756 -4.666 6.137
108 HA GLU 15 HA GLU 15 6.085 -7.587 6.055
109 HB2 GLU 15 1HB GLU 15 3.615 -7.688 6.722
110 HB3 GLU 15 2HB GLU 15 4.777 -7.310 7.986
111 HG2 GLU 15 1HG GLU 15 4.250 -4.915 7.702
112 HG3 GLU 15 2HG GLU 15 3.018 -5.356 6.522
113 H THR 16 H THR 16 6.493 -7.266 3.794
114 HA THR 16 HA THR 16 4.816 -5.971 1.993
115 HB THR 16 HB THR 16 5.796 -7.366 0.248
116 HG1 THR 16 HG1 THR 16 6.972 -9.180 0.743
117 HG21 THR 16 3HG2 THR 16 8.115 -7.025 2.061
118 HG22 THR 16 1HG2 THR 16 7.134 -5.595 1.743
119 HG23 THR 16 2HG2 THR 16 7.881 -6.467 0.405
120 H CYS 17 H CYS 17 2.704 -6.280 1.748
121 HA CYS 17 HA CYS 17 1.434 -8.778 2.373
122 HB2 CYS 17 1HB CYS 17 -0.640 -7.626 1.660
123 HB3 CYS 17 2HB CYS 17 0.275 -6.694 2.841
124 H THR 18 H THR 18 0.580 -10.281 1.003
125 HA THR 18 HA THR 18 1.108 -9.909 -1.873
126 HB THR 18 HB THR 18 1.283 -12.526 -1.814
127 HG1 THR 18 HG1 THR 18 2.234 -13.229 0.166
128 HG21 THR 18 3HG2 THR 18 3.807 -11.984 -0.892
129 HG22 THR 18 1HG2 THR 18 3.249 -10.395 -1.414
130 HG23 THR 18 2HG2 THR 18 3.256 -11.744 -2.550
131 H LEU 19 H LEU 19 -1.329 -9.646 -0.037
132 HA LEU 19 HA LEU 19 -3.128 -11.183 -1.768
133 HB2 LEU 19 1HB LEU 19 -4.454 -11.179 0.636
134 HB3 LEU 19 2HB LEU 19 -3.612 -12.551 -0.082
135 HG LEU 19 HG LEU 19 -1.583 -11.896 1.213
136 HD11 LEU 19 1HD1 LEU 19 -1.470 -9.990 2.341
137 HD12 LEU 19 2HD1 LEU 19 -2.965 -10.351 3.204
138 HD13 LEU 19 3HD1 LEU 19 -3.024 -9.540 1.639
139 HD21 LEU 19 3HD2 LEU 19 -3.367 -13.577 1.938
140 HD22 LEU 19 1HD2 LEU 19 -3.917 -12.325 3.052
141 HD23 LEU 19 2HD2 LEU 19 -2.276 -12.960 3.180
142 H GLY 20 H GLY 20 -2.204 -8.283 -1.227
143 HA2 GLY 20 1HA GLY 20 -3.219 -6.248 -1.630
144 HA3 GLY 20 2HA GLY 20 -4.750 -7.094 -1.792
145 H THR 21 H THR 21 -2.594 -7.140 1.003
146 HA THR 21 HA THR 21 -3.866 -5.178 2.535
147 HB THR 21 HB THR 21 -5.864 -6.508 2.500
148 HG1 THR 21 HG1 THR 21 -5.857 -5.836 4.522
149 HG21 THR 21 3HG2 THR 21 -5.937 -8.823 3.225
150 HG22 THR 21 1HG2 THR 21 -4.203 -8.807 3.539
151 HG23 THR 21 2HG2 THR 21 -4.801 -8.655 1.887
152 H CYS 22 H CYS 22 -2.673 -4.772 4.310
153 HA CYS 22 HA CYS 22 -0.282 -6.233 4.752
154 HB2 CYS 22 1HB CYS 22 -1.615 -4.068 6.389
155 HB3 CYS 22 2HB CYS 22 -0.001 -4.698 6.705
156 H SER 23 H SER 23 0.374 -7.082 6.906
157 HA SER 23 HA SER 23 -1.576 -9.001 7.803
158 HB2 SER 23 1HB SER 23 1.169 -9.006 7.630
159 HB3 SER 23 2HB SER 23 0.904 -8.799 9.362
160 HG SER 23 HG SER 23 0.291 -10.952 7.706
161 H THR 24 H THR 24 0.381 -6.525 9.466
162 HA THR 24 HA THR 24 -0.894 -6.693 11.942
163 HB THR 24 HB THR 24 1.259 -5.471 11.448
164 HG1 THR 24 HG1 THR 24 0.677 -4.977 13.441
165 HG21 THR 24 3HG2 THR 24 1.318 -3.610 10.207
166 HG22 THR 24 1HG2 THR 24 -0.076 -2.919 11.036
167 HG23 THR 24 2HG2 THR 24 -0.313 -4.030 9.686
168 H GLN 25 H GLN 25 -1.945 -4.469 12.816
169 HA GLN 25 HA GLN 25 -4.277 -3.992 11.082
170 HB2 GLN 25 1HB GLN 25 -4.365 -5.111 13.514
171 HB3 GLN 25 2HB GLN 25 -4.434 -3.420 13.993
172 HG2 GLN 25 1HG GLN 25 -6.642 -3.720 13.755
173 HG3 GLN 25 2HG GLN 25 -6.290 -3.425 12.053
174 HE21 GLN 25 2HE2 GLN 25 -7.902 -5.388 14.092
175 HE22 GLN 25 1HE2 GLN 25 -7.985 -6.821 13.131
176 H GLY 26 H GLY 26 -3.914 -2.115 10.051
177 HA2 GLY 26 1HA GLY 26 -4.342 0.325 10.630
178 HA3 GLY 26 2HA GLY 26 -2.916 0.160 11.644
179 H CYS 27 H CYS 27 -1.874 -1.716 9.418
180 HA CYS 27 HA CYS 27 -0.535 0.406 7.954
181 HB2 CYS 27 1HB CYS 27 -0.088 -2.537 8.305
182 HB3 CYS 27 2HB CYS 27 0.672 -1.697 6.958
183 H THR 28 H THR 28 -0.361 0.424 5.648
184 HA THR 28 HA THR 28 -2.533 -0.981 4.244
185 HB THR 28 HB THR 28 -3.211 1.358 4.631
186 HG1 THR 28 HG1 THR 28 -3.827 0.265 2.677
187 HG21 THR 28 3HG2 THR 28 -0.672 1.965 3.124
188 HG22 THR 28 1HG2 THR 28 -1.126 2.506 4.740
189 HG23 THR 28 2HG2 THR 28 -1.978 3.131 3.328
190 H CYS 29 H CYS 29 -2.105 -1.637 2.158
191 HA CYS 29 HA CYS 29 0.649 -1.992 1.485
192 HB2 CYS 29 1HB CYS 29 -1.839 -2.588 -0.131
193 HB3 CYS 29 2HB CYS 29 -0.215 -3.157 -0.506
Start of MODEL 8
1 H1 SER 1 H SER 1 1.568 -0.043 0.749
2 HA SER 1 HA SER 1 1.176 0.362 -2.110
3 HB2 SER 1 1HB SER 1 2.821 1.720 -0.724
4 HB3 SER 1 2HB SER 1 3.809 0.262 -0.632
5 HG SER 1 HG SER 1 4.484 0.663 -2.571
6 H TRP 2 H TRP 2 0.271 -2.004 -1.872
7 HA TRP 2 HA TRP 2 1.802 -4.241 -1.546
8 HB2 TRP 2 1HB TRP 2 -0.587 -4.347 -2.022
9 HB3 TRP 2 2HB TRP 2 -0.308 -3.772 -3.664
10 HD1 TRP 2 HD1 TRP 2 -0.414 -6.904 -1.607
11 HE1 TRP 2 HE1 TRP 2 0.138 -8.936 -3.087
12 HE3 TRP 2 HE3 TRP 2 1.253 -4.447 -5.770
13 HZ2 TRP 2 HZ2 TRP 2 1.147 -9.432 -5.676
14 HZ3 TRP 2 HZ3 TRP 2 1.994 -5.775 -7.704
15 HH2 TRP 2 HH2 TRP 2 1.942 -8.215 -7.657
16 HA PRO 3 HA PRO 3 2.438 -6.189 -2.187
17 HB2 PRO 3 1HB PRO 3 4.985 -7.083 -1.898
18 HB3 PRO 3 2HB PRO 3 3.947 -7.559 -3.247
19 HG2 PRO 3 1HG PRO 3 6.099 -5.480 -3.154
20 HG3 PRO 3 2HG PRO 3 5.753 -6.677 -4.416
21 HD2 PRO 3 1HD PRO 3 4.986 -4.087 -4.614
22 HD3 PRO 3 2HD PRO 3 4.045 -5.418 -5.317
23 H ILE 4 H ILE 4 5.165 -3.927 -1.961
24 HA ILE 4 HA ILE 4 5.863 -4.128 0.668
25 HB ILE 4 HB ILE 4 5.517 -1.477 -0.730
26 HG12 ILE 4 1HG1 ILE 4 6.728 -2.883 -2.245
27 HG13 ILE 4 2HG1 ILE 4 7.904 -1.842 -1.451
28 HG21 ILE 4 1HG2 ILE 4 7.225 -2.434 1.549
29 HG22 ILE 4 2HG2 ILE 4 7.586 -0.960 0.653
30 HG23 ILE 4 3HG2 ILE 4 6.063 -1.108 1.529
31 HD11 ILE 4 3HD1 ILE 4 7.423 -4.766 -1.086
32 HD12 ILE 4 1HD1 ILE 4 8.926 -3.913 -1.439
33 HD13 ILE 4 2HD1 ILE 4 8.215 -3.817 0.172
34 H CYS 5 H CYS 5 5.298 -2.900 2.570
35 HA CYS 5 HA CYS 5 2.480 -2.044 2.617
36 HB2 CYS 5 1HB CYS 5 3.858 -4.078 4.213
37 HB3 CYS 5 2HB CYS 5 2.981 -2.903 5.187
38 H LYS 6 H LYS 6 2.050 -0.147 3.591
39 HA LYS 6 HA LYS 6 3.994 1.053 5.394
40 HB2 LYS 6 1HB LYS 6 3.479 1.976 2.635
41 HB3 LYS 6 2HB LYS 6 3.473 3.232 3.866
42 HG2 LYS 6 1HG LYS 6 5.678 3.300 3.663
43 HG3 LYS 6 2HG LYS 6 5.725 1.716 4.442
44 HD2 LYS 6 1HD LYS 6 5.483 0.674 2.195
45 HD3 LYS 6 2HD LYS 6 5.610 2.283 1.481
46 HE2 LYS 6 1HE LYS 6 7.709 1.146 3.311
47 HE3 LYS 6 2HE LYS 6 7.737 0.900 1.565
48 HZ1 LYS 6 3HZ LYS 6 7.719 3.343 1.316
49 HZ2 LYS 6 1HZ LYS 6 9.098 2.770 2.110
50 HZ3 LYS 6 2HZ LYS 6 7.854 3.499 2.995
51 H ARG 7 H ARG 7 3.127 2.619 6.759
52 HA ARG 7 HA ARG 7 0.212 2.593 6.907
53 HB2 ARG 7 1HB ARG 7 1.266 2.037 8.967
54 HB3 ARG 7 2HB ARG 7 2.367 3.403 8.852
55 HG2 ARG 7 1HG ARG 7 0.666 3.828 10.513
56 HG3 ARG 7 2HG ARG 7 0.479 4.938 9.153
57 HD2 ARG 7 1HD ARG 7 -1.037 2.513 8.746
58 HD3 ARG 7 2HD ARG 7 -1.474 3.290 10.267
59 HE ARG 7 HE ARG 7 -1.990 4.263 7.606
60 HH11 ARG 7 1HH1 ARG 7 -1.647 5.110 10.966
61 HH12 ARG 7 2HH1 ARG 7 -2.591 6.556 10.832
62 HH21 ARG 7 1HH2 ARG 7 -3.235 6.165 7.417
63 HH22 ARG 7 2HH2 ARG 7 -3.494 7.155 8.813
64 H ASN 8 H ASN 8 2.551 5.135 7.754
65 HA ASN 8 HA ASN 8 0.740 7.112 6.589
66 HB2 ASN 8 1HB ASN 8 2.869 7.161 8.662
67 HB3 ASN 8 2HB ASN 8 2.649 8.628 7.712
68 HD21 ASN 8 2HD2 ASN 8 1.193 6.435 9.984
69 HD22 ASN 8 1HD2 ASN 8 -0.101 7.474 10.464
70 H GLY 9 H GLY 9 2.559 5.306 5.026
71 HA2 GLY 9 1HA GLY 9 3.453 5.723 2.892
72 HA3 GLY 9 2HA GLY 9 3.668 7.409 3.335
73 H LEU 10 H LEU 10 4.770 5.203 5.678
74 HA LEU 10 HA LEU 10 7.522 5.377 4.654
75 HB2 LEU 10 1HB LEU 10 6.724 5.737 7.536
76 HB3 LEU 10 2HB LEU 10 8.348 5.862 6.863
77 HG LEU 10 HG LEU 10 6.397 7.724 5.700
78 HD11 LEU 10 1HD1 LEU 10 6.569 7.443 8.563
79 HD12 LEU 10 2HD1 LEU 10 5.531 8.490 7.595
80 HD13 LEU 10 3HD1 LEU 10 7.150 9.026 8.044
81 HD21 LEU 10 3HD2 LEU 10 8.478 8.299 5.034
82 HD22 LEU 10 1HD2 LEU 10 9.246 7.612 6.466
83 HD23 LEU 10 2HD2 LEU 10 8.474 9.196 6.554
84 HA PRO 11 HA PRO 11 7.844 1.083 5.515
85 HB2 PRO 11 1HB PRO 11 10.485 0.874 6.107
86 HB3 PRO 11 2HB PRO 11 9.887 1.152 4.467
87 HG2 PRO 11 1HG PRO 11 10.981 3.116 6.444
88 HG3 PRO 11 2HG PRO 11 11.295 2.988 4.704
89 HD2 PRO 11 1HD PRO 11 9.566 4.795 5.744
90 HD3 PRO 11 2HD PRO 11 9.333 4.062 4.144
91 H VAL 12 H VAL 12 6.494 1.540 7.517
92 HA VAL 12 HA VAL 12 8.102 1.045 9.940
93 HB VAL 12 HB VAL 12 6.395 2.122 11.266
94 HG11 VAL 12 1HG1 VAL 12 6.592 4.434 10.423
95 HG12 VAL 12 2HG1 VAL 12 8.127 3.564 10.390
96 HG13 VAL 12 3HG1 VAL 12 7.214 3.802 8.899
97 HG21 VAL 12 3HG2 VAL 12 4.466 3.232 10.233
98 HG22 VAL 12 1HG2 VAL 12 4.939 2.580 8.664
99 HG23 VAL 12 2HG2 VAL 12 4.440 1.490 9.958
100 H CYS 13 H CYS 13 6.891 -0.836 7.948
101 HA CYS 13 HA CYS 13 5.368 -2.439 9.884
102 HB2 CYS 13 1HB CYS 13 4.706 -2.427 6.945
103 HB3 CYS 13 2HB CYS 13 3.759 -3.088 8.274
104 H GLY 14 H GLY 14 7.301 -2.398 6.919
105 HA2 GLY 14 1HA GLY 14 8.674 -3.979 5.974
106 HA3 GLY 14 2HA GLY 14 9.029 -4.430 7.634
107 H GLU 15 H GLU 15 5.894 -4.689 6.043
108 HA GLU 15 HA GLU 15 6.183 -7.615 6.033
109 HB2 GLU 15 1HB GLU 15 3.735 -7.687 6.752
110 HB3 GLU 15 2HB GLU 15 4.915 -7.265 7.985
111 HG2 GLU 15 1HG GLU 15 4.376 -4.896 7.680
112 HG3 GLU 15 2HG GLU 15 3.172 -5.335 6.469
113 H THR 16 H THR 16 6.542 -7.387 3.763
114 HA THR 16 HA THR 16 4.842 -6.099 1.966
115 HB THR 16 HB THR 16 5.766 -7.591 0.237
116 HG1 THR 16 HG1 THR 16 6.895 -9.373 0.766
117 HG21 THR 16 3HG2 THR 16 7.798 -6.580 0.249
118 HG22 THR 16 1HG2 THR 16 8.148 -7.059 1.909
119 HG23 THR 16 2HG2 THR 16 7.090 -5.684 1.592
120 H CYS 17 H CYS 17 2.722 -6.407 1.785
121 HA CYS 17 HA CYS 17 1.475 -8.909 2.455
122 HB2 CYS 17 1HB CYS 17 -0.624 -7.756 1.816
123 HB3 CYS 17 2HB CYS 17 0.328 -6.832 2.974
124 H THR 18 H THR 18 0.619 -10.424 1.112
125 HA THR 18 HA THR 18 1.063 -10.040 -1.778
126 HB THR 18 HB THR 18 1.156 -12.678 -1.693
127 HG1 THR 18 HG1 THR 18 2.212 -13.347 0.253
128 HG21 THR 18 3HG2 THR 18 3.499 -10.981 -0.826
129 HG22 THR 18 1HG2 THR 18 2.946 -11.171 -2.489
130 HG23 THR 18 2HG2 THR 18 3.579 -12.560 -1.606
131 H LEU 19 H LEU 19 -1.335 -9.717 0.092
132 HA LEU 19 HA LEU 19 -3.198 -11.214 -1.604
133 HB2 LEU 19 1HB LEU 19 -4.480 -11.179 0.825
134 HB3 LEU 19 2HB LEU 19 -3.688 -12.570 0.087
135 HG LEU 19 HG LEU 19 -1.618 -11.971 1.344
136 HD11 LEU 19 1HD1 LEU 19 -2.838 -9.555 1.728
137 HD12 LEU 19 2HD1 LEU 19 -1.441 -10.149 2.624
138 HD13 LEU 19 3HD1 LEU 19 -3.063 -10.344 3.289
139 HD21 LEU 19 3HD2 LEU 19 -3.807 -12.299 3.340
140 HD22 LEU 19 1HD2 LEU 19 -2.265 -13.143 3.207
141 HD23 LEU 19 2HD2 LEU 19 -3.582 -13.535 2.102
142 H GLY 20 H GLY 20 -2.204 -8.340 -1.115
143 HA2 GLY 20 1HA GLY 20 -3.149 -6.264 -1.415
144 HA3 GLY 20 2HA GLY 20 -4.686 -7.073 -1.685
145 H THR 21 H THR 21 -2.644 -7.194 1.201
146 HA THR 21 HA THR 21 -4.017 -5.290 2.727
147 HB THR 21 HB THR 21 -5.969 -6.696 2.572
148 HG1 THR 21 HG1 THR 21 -6.177 -7.212 4.866
149 HG21 THR 21 3HG2 THR 21 -4.387 -8.943 3.807
150 HG22 THR 21 1HG2 THR 21 -4.653 -8.798 2.071
151 HG23 THR 21 2HG2 THR 21 -6.027 -8.997 3.160
152 H CYS 22 H CYS 22 -2.545 -4.765 4.191
153 HA CYS 22 HA CYS 22 -0.265 -6.226 4.790
154 HB2 CYS 22 1HB CYS 22 -1.670 -4.064 6.364
155 HB3 CYS 22 2HB CYS 22 -0.089 -4.705 6.801
156 H SER 23 H SER 23 0.348 -7.578 6.448
157 HA SER 23 HA SER 23 -1.614 -9.311 7.494
158 HB2 SER 23 1HB SER 23 0.995 -9.607 7.101
159 HB3 SER 23 2HB SER 23 1.068 -9.130 8.797
160 HG SER 23 HG SER 23 0.509 -11.509 7.823
161 H THR 24 H THR 24 -0.330 -6.331 8.623
162 HA THR 24 HA THR 24 -1.243 -6.776 11.358
163 HB THR 24 HB THR 24 0.929 -5.612 10.922
164 HG1 THR 24 HG1 THR 24 0.306 -3.770 12.377
165 HG21 THR 24 3HG2 THR 24 1.060 -3.894 9.511
166 HG22 THR 24 1HG2 THR 24 -0.146 -3.001 10.437
167 HG23 THR 24 2HG2 THR 24 -0.654 -4.093 9.148
168 H GLN 25 H GLN 25 -2.353 -4.721 12.336
169 HA GLN 25 HA GLN 25 -4.614 -4.064 10.569
170 HB2 GLN 25 1HB GLN 25 -4.434 -4.394 13.557
171 HB3 GLN 25 2HB GLN 25 -5.795 -3.587 12.790
172 HG2 GLN 25 1HG GLN 25 -6.717 -5.612 12.727
173 HG3 GLN 25 2HG GLN 25 -5.641 -5.900 11.361
174 HE21 GLN 25 2HE2 GLN 25 -5.995 -6.288 14.835
175 HE22 GLN 25 1HE2 GLN 25 -4.929 -7.639 14.981
176 H GLY 26 H GLY 26 -2.034 -2.638 10.748
177 HA2 GLY 26 1HA GLY 26 -3.157 0.022 11.196
178 HA3 GLY 26 2HA GLY 26 -1.734 -0.408 12.133
179 H CYS 27 H CYS 27 -2.208 -1.560 8.874
180 HA CYS 27 HA CYS 27 -0.408 0.477 7.804
181 HB2 CYS 27 1HB CYS 27 0.154 -2.491 7.775
182 HB3 CYS 27 2HB CYS 27 0.958 -1.347 6.705
183 H THR 28 H THR 28 -0.414 0.611 5.503
184 HA THR 28 HA THR 28 -2.637 -0.825 4.208
185 HB THR 28 HB THR 28 -2.152 1.797 3.050
186 HG1 THR 28 HG1 THR 28 -3.251 1.792 5.672
187 HG21 THR 28 3HG2 THR 28 -4.584 0.452 4.230
188 HG22 THR 28 1HG2 THR 28 -4.107 0.459 2.533
189 HG23 THR 28 2HG2 THR 28 -4.607 1.959 3.314
190 H CYS 29 H CYS 29 -1.958 -1.994 2.547
191 HA CYS 29 HA CYS 29 0.610 -2.094 1.555
192 HB2 CYS 29 1HB CYS 29 -1.943 -2.756 0.071
193 HB3 CYS 29 2HB CYS 29 -0.330 -3.305 -0.374
Start of MODEL 9
1 H1 SER 1 H SER 1 1.696 0.105 0.935
2 HA SER 1 HA SER 1 1.295 0.573 -1.914
3 HB2 SER 1 1HB SER 1 2.977 1.840 -0.405
4 HB3 SER 1 2HB SER 1 3.974 0.393 -0.555
5 HG SER 1 HG SER 1 4.103 2.275 -2.180
6 H TRP 2 H TRP 2 0.381 -1.787 -1.739
7 HA TRP 2 HA TRP 2 1.888 -4.043 -1.451
8 HB2 TRP 2 1HB TRP 2 -0.495 -4.116 -1.962
9 HB3 TRP 2 2HB TRP 2 -0.188 -3.506 -3.586
10 HD1 TRP 2 HD1 TRP 2 -0.352 -6.684 -1.606
11 HE1 TRP 2 HE1 TRP 2 0.204 -8.685 -3.126
12 HE3 TRP 2 HE3 TRP 2 1.397 -4.146 -5.685
13 HZ2 TRP 2 HZ2 TRP 2 1.246 -9.130 -5.711
14 HZ3 TRP 2 HZ3 TRP 2 2.155 -5.434 -7.640
15 HH2 TRP 2 HH2 TRP 2 2.080 -7.874 -7.650
16 HA PRO 3 HA PRO 3 2.515 -5.981 -2.128
17 HB2 PRO 3 1HB PRO 3 5.049 -6.907 -1.826
18 HB3 PRO 3 2HB PRO 3 4.026 -7.341 -3.200
19 HG2 PRO 3 1HG PRO 3 6.196 -5.286 -3.029
20 HG3 PRO 3 2HG PRO 3 5.856 -6.449 -4.324
21 HD2 PRO 3 1HD PRO 3 5.116 -3.848 -4.471
22 HD3 PRO 3 2HD PRO 3 4.172 -5.154 -5.217
23 H ILE 4 H ILE 4 5.280 -3.774 -1.809
24 HA ILE 4 HA ILE 4 5.921 -4.041 0.829
25 HB ILE 4 HB ILE 4 5.661 -1.355 -0.520
26 HG12 ILE 4 1HG1 ILE 4 6.867 -2.755 -2.044
27 HG13 ILE 4 2HG1 ILE 4 8.053 -1.761 -1.205
28 HG21 ILE 4 1HG2 ILE 4 7.718 -0.916 0.909
29 HG22 ILE 4 2HG2 ILE 4 6.174 -1.042 1.752
30 HG23 ILE 4 3HG2 ILE 4 7.301 -2.398 1.770
31 HD11 ILE 4 3HD1 ILE 4 7.527 -4.682 -0.982
32 HD12 ILE 4 1HD1 ILE 4 9.055 -3.820 -1.167
33 HD13 ILE 4 2HD1 ILE 4 8.222 -3.814 0.388
34 H CYS 5 H CYS 5 5.346 -2.835 2.743
35 HA CYS 5 HA CYS 5 2.522 -1.988 2.762
36 HB2 CYS 5 1HB CYS 5 3.974 -3.912 4.445
37 HB3 CYS 5 2HB CYS 5 3.011 -2.748 5.348
38 H LYS 6 H LYS 6 2.030 -0.097 3.737
39 HA LYS 6 HA LYS 6 4.031 1.233 5.397
40 HB2 LYS 6 1HB LYS 6 2.991 2.248 2.773
41 HB3 LYS 6 2HB LYS 6 3.450 3.383 4.036
42 HG2 LYS 6 1HG LYS 6 5.473 3.272 3.094
43 HG3 LYS 6 2HG LYS 6 5.619 1.753 3.980
44 HD2 LYS 6 1HD LYS 6 4.942 0.492 2.060
45 HD3 LYS 6 2HD LYS 6 4.533 1.964 1.175
46 HE2 LYS 6 1HE LYS 6 7.300 1.219 2.120
47 HE3 LYS 6 2HE LYS 6 6.694 0.982 0.481
48 HZ1 LYS 6 3HZ LYS 6 6.174 3.569 0.842
49 HZ2 LYS 6 1HZ LYS 6 7.613 2.992 0.164
50 HZ3 LYS 6 2HZ LYS 6 7.559 3.415 1.801
51 H ARG 7 H ARG 7 3.157 2.357 7.042
52 HA ARG 7 HA ARG 7 0.295 2.252 7.388
53 HB2 ARG 7 1HB ARG 7 1.538 1.769 9.340
54 HB3 ARG 7 2HB ARG 7 2.578 3.170 9.121
55 HG2 ARG 7 1HG ARG 7 0.963 3.440 10.959
56 HG3 ARG 7 2HG ARG 7 0.778 4.659 9.697
57 HD2 ARG 7 1HD ARG 7 -1.225 3.812 8.981
58 HD3 ARG 7 2HD ARG 7 -0.841 2.173 9.505
59 HE ARG 7 HE ARG 7 -1.059 3.478 11.841
60 HH11 ARG 7 1HH1 ARG 7 -3.110 3.359 9.030
61 HH12 ARG 7 2HH1 ARG 7 -4.573 3.603 9.927
62 HH21 ARG 7 1HH2 ARG 7 -2.977 3.799 13.032
63 HH22 ARG 7 2HH2 ARG 7 -4.496 3.854 12.203
64 H ASN 8 H ASN 8 2.756 4.818 7.234
65 HA ASN 8 HA ASN 8 0.604 6.704 6.529
66 HB2 ASN 8 1HB ASN 8 2.779 6.908 8.503
67 HB3 ASN 8 2HB ASN 8 2.597 8.321 7.468
68 HD21 ASN 8 2HD2 ASN 8 0.165 6.084 8.720
69 HD22 ASN 8 1HD2 ASN 8 -0.740 7.276 9.585
70 H GLY 9 H GLY 9 2.478 4.982 4.897
71 HA2 GLY 9 1HA GLY 9 3.106 5.456 2.659
72 HA3 GLY 9 2HA GLY 9 3.340 7.139 3.109
73 H LEU 10 H LEU 10 4.663 4.918 5.318
74 HA LEU 10 HA LEU 10 7.303 5.058 4.040
75 HB2 LEU 10 1HB LEU 10 6.807 5.606 6.960
76 HB3 LEU 10 2HB LEU 10 8.353 5.674 6.117
77 HG LEU 10 HG LEU 10 6.329 7.476 5.013
78 HD11 LEU 10 1HD1 LEU 10 6.082 7.332 7.662
79 HD12 LEU 10 2HD1 LEU 10 5.936 8.847 6.773
80 HD13 LEU 10 3HD1 LEU 10 7.452 8.439 7.576
81 HD21 LEU 10 3HD2 LEU 10 9.101 7.212 5.066
82 HD22 LEU 10 1HD2 LEU 10 8.761 8.654 6.025
83 HD23 LEU 10 2HD2 LEU 10 8.171 8.538 4.366
84 HA PRO 11 HA PRO 11 7.695 0.824 5.136
85 HB2 PRO 11 1HB PRO 11 10.382 0.625 5.471
86 HB3 PRO 11 2HB PRO 11 9.622 0.807 3.885
87 HG2 PRO 11 1HG PRO 11 10.918 2.879 5.613
88 HG3 PRO 11 2HG PRO 11 11.053 2.640 3.862
89 HD2 PRO 11 1HD PRO 11 9.446 4.525 4.954
90 HD3 PRO 11 2HD PRO 11 9.049 3.695 3.435
91 H VAL 12 H VAL 12 6.556 1.397 7.229
92 HA VAL 12 HA VAL 12 8.399 1.026 9.501
93 HB VAL 12 HB VAL 12 6.865 2.230 10.927
94 HG11 VAL 12 1HG1 VAL 12 7.047 4.478 9.951
95 HG12 VAL 12 2HG1 VAL 12 8.537 3.552 9.763
96 HG13 VAL 12 3HG1 VAL 12 7.446 3.758 8.392
97 HG21 VAL 12 3HG2 VAL 12 4.773 1.576 9.856
98 HG22 VAL 12 1HG2 VAL 12 4.865 3.328 10.041
99 HG23 VAL 12 2HG2 VAL 12 5.157 2.591 8.466
100 H CYS 13 H CYS 13 6.846 -0.885 7.728
101 HA CYS 13 HA CYS 13 5.460 -2.303 9.907
102 HB2 CYS 13 1HB CYS 13 4.690 -2.487 6.994
103 HB3 CYS 13 2HB CYS 13 3.807 -3.111 8.383
104 H GLY 14 H GLY 14 7.397 -2.533 6.974
105 HA2 GLY 14 1HA GLY 14 8.729 -4.212 6.148
106 HA3 GLY 14 2HA GLY 14 9.013 -4.604 7.837
107 H GLU 15 H GLU 15 6.027 -4.827 5.932
108 HA GLU 15 HA GLU 15 6.152 -7.746 6.113
109 HB2 GLU 15 1HB GLU 15 3.676 -7.690 6.767
110 HB3 GLU 15 2HB GLU 15 4.852 -7.321 8.020
111 HG2 GLU 15 1HG GLU 15 4.455 -4.911 7.619
112 HG3 GLU 15 2HG GLU 15 3.191 -5.348 6.470
113 H THR 16 H THR 16 6.591 -7.529 3.839
114 HA THR 16 HA THR 16 4.977 -6.245 1.976
115 HB THR 16 HB THR 16 5.877 -7.819 0.305
116 HG1 THR 16 HG1 THR 16 6.742 -9.679 0.896
117 HG21 THR 16 3HG2 THR 16 7.225 -5.900 1.523
118 HG22 THR 16 1HG2 THR 16 8.010 -6.973 0.365
119 HG23 THR 16 2HG2 THR 16 8.192 -7.259 2.096
120 H CYS 17 H CYS 17 2.853 -6.473 1.740
121 HA CYS 17 HA CYS 17 1.520 -8.951 2.394
122 HB2 CYS 17 1HB CYS 17 -0.546 -7.710 1.831
123 HB3 CYS 17 2HB CYS 17 0.452 -6.852 3.000
124 H THR 18 H THR 18 0.658 -10.411 1.009
125 HA THR 18 HA THR 18 1.054 -9.919 -1.871
126 HB THR 18 HB THR 18 1.115 -12.547 -1.911
127 HG1 THR 18 HG1 THR 18 2.115 -13.356 -0.000
128 HG21 THR 18 3HG2 THR 18 3.253 -10.565 -1.357
129 HG22 THR 18 1HG2 THR 18 3.031 -11.632 -2.742
130 HG23 THR 18 2HG2 THR 18 3.679 -12.271 -1.232
131 H LEU 19 H LEU 19 -1.312 -9.589 0.010
132 HA LEU 19 HA LEU 19 -3.224 -11.012 -1.694
133 HB2 LEU 19 1HB LEU 19 -4.481 -11.001 0.748
134 HB3 LEU 19 2HB LEU 19 -3.728 -12.394 -0.027
135 HG LEU 19 HG LEU 19 -1.633 -11.868 1.221
136 HD11 LEU 19 1HD1 LEU 19 -2.792 -9.433 1.667
137 HD12 LEU 19 2HD1 LEU 19 -1.402 -10.079 2.539
138 HD13 LEU 19 3HD1 LEU 19 -3.023 -10.249 3.214
139 HD21 LEU 19 3HD2 LEU 19 -2.317 -12.950 3.179
140 HD22 LEU 19 1HD2 LEU 19 -3.478 -13.477 1.961
141 HD23 LEU 19 2HD2 LEU 19 -3.927 -12.229 3.123
142 H GLY 20 H GLY 20 -2.164 -8.174 -1.165
143 HA2 GLY 20 1HA GLY 20 -3.057 -6.067 -1.385
144 HA3 GLY 20 2HA GLY 20 -4.607 -6.834 -1.698
145 H THR 21 H THR 21 -2.589 -7.061 1.202
146 HA THR 21 HA THR 21 -3.963 -5.188 2.766
147 HB THR 21 HB THR 21 -5.918 -6.588 2.558
148 HG1 THR 21 HG1 THR 21 -5.833 -5.785 4.594
149 HG21 THR 21 3HG2 THR 21 -4.346 -8.859 3.764
150 HG22 THR 21 1HG2 THR 21 -4.607 -8.684 2.029
151 HG23 THR 21 2HG2 THR 21 -5.983 -8.901 3.110
152 H CYS 22 H CYS 22 -2.521 -4.712 4.277
153 HA CYS 22 HA CYS 22 -0.249 -6.217 4.848
154 HB2 CYS 22 1HB CYS 22 -1.620 -4.047 6.442
155 HB3 CYS 22 2HB CYS 22 -0.050 -4.718 6.871
156 H SER 23 H SER 23 0.361 -7.499 6.602
157 HA SER 23 HA SER 23 -1.637 -9.251 7.584
158 HB2 SER 23 1HB SER 23 1.246 -9.094 7.608
159 HB3 SER 23 2HB SER 23 0.647 -9.557 9.201
160 HG SER 23 HG SER 23 1.024 -11.283 7.563
161 H THR 24 H THR 24 0.001 -6.456 8.925
162 HA THR 24 HA THR 24 -1.045 -6.844 11.580
163 HB THR 24 HB THR 24 1.121 -5.676 11.136
164 HG1 THR 24 HG1 THR 24 0.776 -4.720 12.991
165 HG21 THR 24 3HG2 THR 24 1.261 -3.905 9.787
166 HG22 THR 24 1HG2 THR 24 -0.026 -3.072 10.658
167 HG23 THR 24 2HG2 THR 24 -0.423 -4.182 9.345
168 H GLN 25 H GLN 25 -2.156 -4.812 12.590
169 HA GLN 25 HA GLN 25 -4.450 -4.166 10.868
170 HB2 GLN 25 1HB GLN 25 -4.294 -4.101 13.885
171 HB3 GLN 25 2HB GLN 25 -5.735 -3.857 12.907
172 HG2 GLN 25 1HG GLN 25 -6.097 -6.021 13.341
173 HG3 GLN 25 2HG GLN 25 -4.953 -6.281 12.025
174 HE21 GLN 25 2HE2 GLN 25 -5.305 -8.231 13.859
175 HE22 GLN 25 1HE2 GLN 25 -3.915 -8.364 14.875
176 H GLY 26 H GLY 26 -3.731 -2.314 9.865
177 HA2 GLY 26 1HA GLY 26 -4.241 0.140 10.655
178 HA3 GLY 26 2HA GLY 26 -2.741 -0.121 11.533
179 H CYS 27 H CYS 27 -1.405 -1.657 9.552
180 HA CYS 27 HA CYS 27 -0.359 0.450 7.954
181 HB2 CYS 27 1HB CYS 27 0.122 -2.525 8.023
182 HB3 CYS 27 2HB CYS 27 0.930 -1.475 6.864
183 H THR 28 H THR 28 -0.355 0.645 5.679
184 HA THR 28 HA THR 28 -2.550 -0.766 4.311
185 HB THR 28 HB THR 28 -2.060 1.846 3.170
186 HG1 THR 28 HG1 THR 28 -2.732 3.094 4.906
187 HG21 THR 28 3HG2 THR 28 -4.048 0.566 2.696
188 HG22 THR 28 1HG2 THR 28 -4.514 2.047 3.529
189 HG23 THR 28 2HG2 THR 28 -4.473 0.517 4.406
190 H CYS 29 H CYS 29 -1.827 -1.925 2.662
191 HA CYS 29 HA CYS 29 0.762 -1.998 1.718
192 HB2 CYS 29 1HB CYS 29 -1.760 -2.685 0.194
193 HB3 CYS 29 2HB CYS 29 -0.135 -3.210 -0.233
Start of MODEL 10
1 H1 SER 1 H SER 1 1.639 0.037 0.679
2 HA SER 1 HA SER 1 1.261 0.481 -2.176
3 HB2 SER 1 1HB SER 1 2.941 1.737 -0.641
4 HB3 SER 1 2HB SER 1 3.936 0.292 -0.816
5 HG SER 1 HG SER 1 3.606 2.314 -2.535
6 H TRP 2 H TRP 2 0.340 -1.891 -1.947
7 HA TRP 2 HA TRP 2 1.857 -4.137 -1.656
8 HB2 TRP 2 1HB TRP 2 -0.532 -4.223 -2.139
9 HB3 TRP 2 2HB TRP 2 -0.245 -3.630 -3.773
10 HD1 TRP 2 HD1 TRP 2 -0.375 -6.785 -1.754
11 HE1 TRP 2 HE1 TRP 2 0.168 -8.803 -3.257
12 HE3 TRP 2 HE3 TRP 2 1.315 -4.290 -5.884
13 HZ2 TRP 2 HZ2 TRP 2 1.179 -9.274 -5.850
14 HZ3 TRP 2 HZ3 TRP 2 2.051 -5.598 -7.833
15 HH2 TRP 2 HH2 TRP 2 1.985 -8.039 -7.814
16 HA PRO 3 HA PRO 3 2.481 -6.082 -2.323
17 HB2 PRO 3 1HB PRO 3 5.021 -6.998 -2.041
18 HB3 PRO 3 2HB PRO 3 3.982 -7.448 -3.398
19 HG2 PRO 3 1HG PRO 3 6.149 -5.386 -3.273
20 HG3 PRO 3 2HG PRO 3 5.797 -6.563 -4.552
21 HD2 PRO 3 1HD PRO 3 5.048 -3.966 -4.716
22 HD3 PRO 3 2HD PRO 3 4.099 -5.281 -5.439
23 H ILE 4 H ILE 4 5.275 -3.900 -2.050
24 HA ILE 4 HA ILE 4 5.927 -4.132 0.584
25 HB ILE 4 HB ILE 4 5.679 -1.468 -0.813
26 HG12 ILE 4 1HG1 ILE 4 6.889 -2.921 -2.292
27 HG13 ILE 4 2HG1 ILE 4 8.066 -1.891 -1.485
28 HG21 ILE 4 1HG2 ILE 4 7.303 -2.463 1.510
29 HG22 ILE 4 2HG2 ILE 4 7.728 -1.003 0.619
30 HG23 ILE 4 3HG2 ILE 4 6.179 -1.105 1.456
31 HD11 ILE 4 3HD1 ILE 4 8.086 -3.982 0.184
32 HD12 ILE 4 1HD1 ILE 4 7.659 -4.802 -1.317
33 HD13 ILE 4 2HD1 ILE 4 9.140 -3.848 -1.223
34 H CYS 5 H CYS 5 5.372 -2.913 2.490
35 HA CYS 5 HA CYS 5 2.572 -1.993 2.513
36 HB2 CYS 5 1HB CYS 5 3.930 -4.015 4.155
37 HB3 CYS 5 2HB CYS 5 3.018 -2.831 5.086
38 H LYS 6 H LYS 6 2.080 -0.212 3.763
39 HA LYS 6 HA LYS 6 4.135 1.029 5.392
40 HB2 LYS 6 1HB LYS 6 3.318 2.042 2.727
41 HB3 LYS 6 2HB LYS 6 3.463 3.237 4.009
42 HG2 LYS 6 1HG LYS 6 5.626 3.320 3.527
43 HG3 LYS 6 2HG LYS 6 5.762 1.717 4.253
44 HD2 LYS 6 1HD LYS 6 5.522 0.652 2.136
45 HD3 LYS 6 2HD LYS 6 5.067 2.169 1.356
46 HE2 LYS 6 1HE LYS 6 7.657 2.245 2.722
47 HE3 LYS 6 2HE LYS 6 7.581 1.098 1.386
48 HZ1 LYS 6 3HZ LYS 6 6.481 3.153 0.201
49 HZ2 LYS 6 1HZ LYS 6 8.162 2.970 0.266
50 HZ3 LYS 6 2HZ LYS 6 7.383 4.015 1.344
51 H ARG 7 H ARG 7 3.320 2.392 6.945
52 HA ARG 7 HA ARG 7 0.490 2.197 7.435
53 HB2 ARG 7 1HB ARG 7 1.914 1.985 9.337
54 HB3 ARG 7 2HB ARG 7 2.762 3.476 8.950
55 HG2 ARG 7 1HG ARG 7 1.324 4.677 10.131
56 HG3 ARG 7 2HG ARG 7 -0.050 3.975 9.274
57 HD2 ARG 7 1HD ARG 7 -0.451 3.334 11.460
58 HD3 ARG 7 2HD ARG 7 0.369 1.921 10.797
59 HE ARG 7 HE ARG 7 2.206 3.741 11.990
60 HH11 ARG 7 1HH1 ARG 7 -0.129 1.261 12.709
61 HH12 ARG 7 2HH1 ARG 7 0.618 0.808 14.205
62 HH21 ARG 7 1HH2 ARG 7 3.200 3.154 13.957
63 HH22 ARG 7 2HH2 ARG 7 2.511 1.886 14.914
64 H ASN 8 H ASN 8 2.574 5.073 7.661
65 HA ASN 8 HA ASN 8 0.390 6.633 6.455
66 HB2 ASN 8 1HB ASN 8 1.443 8.594 7.569
67 HB3 ASN 8 2HB ASN 8 0.913 7.358 8.706
68 HD21 ASN 8 2HD2 ASN 8 2.573 5.839 9.459
69 HD22 ASN 8 1HD2 ASN 8 4.181 6.429 9.685
70 H GLY 9 H GLY 9 2.548 5.096 5.066
71 HA2 GLY 9 1HA GLY 9 3.339 5.637 2.883
72 HA3 GLY 9 2HA GLY 9 3.465 7.318 3.379
73 H LEU 10 H LEU 10 4.652 4.864 5.505
74 HA LEU 10 HA LEU 10 7.395 5.237 4.556
75 HB2 LEU 10 1HB LEU 10 6.636 5.569 7.450
76 HB3 LEU 10 2HB LEU 10 8.226 5.799 6.727
77 HG LEU 10 HG LEU 10 5.952 7.527 5.850
78 HD11 LEU 10 1HD1 LEU 10 7.641 8.406 8.134
79 HD12 LEU 10 2HD1 LEU 10 6.264 7.353 8.459
80 HD13 LEU 10 3HD1 LEU 10 6.016 8.909 7.667
81 HD21 LEU 10 3HD2 LEU 10 8.681 7.339 5.270
82 HD22 LEU 10 1HD2 LEU 10 8.508 8.776 6.278
83 HD23 LEU 10 2HD2 LEU 10 7.568 8.623 4.793
84 HA PRO 11 HA PRO 11 7.831 0.959 5.449
85 HB2 PRO 11 1HB PRO 11 10.482 0.823 6.021
86 HB3 PRO 11 2HB PRO 11 9.864 1.072 4.384
87 HG2 PRO 11 1HG PRO 11 10.922 3.081 6.335
88 HG3 PRO 11 2HG PRO 11 11.225 2.946 4.593
89 HD2 PRO 11 1HD PRO 11 9.459 4.716 5.631
90 HD3 PRO 11 2HD PRO 11 9.232 3.963 4.040
91 H VAL 12 H VAL 12 6.488 1.447 7.468
92 HA VAL 12 HA VAL 12 8.126 0.950 9.869
93 HB VAL 12 HB VAL 12 6.463 2.071 11.218
94 HG11 VAL 12 1HG1 VAL 12 6.752 4.362 10.428
95 HG12 VAL 12 2HG1 VAL 12 8.244 3.437 10.247
96 HG13 VAL 12 3HG1 VAL 12 7.230 3.762 8.840
97 HG21 VAL 12 3HG2 VAL 12 4.477 1.486 9.930
98 HG22 VAL 12 1HG2 VAL 12 4.551 3.226 10.210
99 HG23 VAL 12 2HG2 VAL 12 4.986 2.567 8.633
100 H CYS 13 H CYS 13 6.843 -0.917 7.912
101 HA CYS 13 HA CYS 13 5.285 -2.455 9.876
102 HB2 CYS 13 1HB CYS 13 4.657 -2.502 6.930
103 HB3 CYS 13 2HB CYS 13 3.679 -3.103 8.266
104 H GLY 14 H GLY 14 7.244 -2.524 6.927
105 HA2 GLY 14 1HA GLY 14 8.594 -4.155 6.035
106 HA3 GLY 14 2HA GLY 14 8.927 -4.571 7.709
107 H GLU 15 H GLU 15 5.898 -4.832 5.881
108 HA GLU 15 HA GLU 15 6.097 -7.752 6.023
109 HB2 GLU 15 1HB GLU 15 3.651 -7.791 6.709
110 HB3 GLU 15 2HB GLU 15 4.801 -7.310 7.949
111 HG2 GLU 15 1HG GLU 15 4.268 -4.931 7.403
112 HG3 GLU 15 2HG GLU 15 2.982 -5.526 6.355
113 H THR 16 H THR 16 6.533 -7.490 3.745
114 HA THR 16 HA THR 16 4.908 -6.235 1.887
115 HB THR 16 HB THR 16 5.805 -7.808 0.217
116 HG1 THR 16 HG1 THR 16 6.160 -9.757 0.974
117 HG21 THR 16 3HG2 THR 16 7.961 -7.045 2.181
118 HG22 THR 16 1HG2 THR 16 7.160 -5.888 1.119
119 HG23 THR 16 2HG2 THR 16 8.106 -7.209 0.431
120 H CYS 17 H CYS 17 2.784 -6.461 1.651
121 HA CYS 17 HA CYS 17 1.438 -8.921 2.328
122 HB2 CYS 17 1HB CYS 17 -0.617 -7.689 1.736
123 HB3 CYS 17 2HB CYS 17 0.383 -6.791 2.873
124 H THR 18 H THR 18 0.597 -10.413 0.969
125 HA THR 18 HA THR 18 0.981 -9.970 -1.921
126 HB THR 18 HB THR 18 1.123 -12.593 -1.920
127 HG1 THR 18 HG1 THR 18 2.403 -13.120 0.095
128 HG21 THR 18 3HG2 THR 18 3.577 -12.442 -1.708
129 HG22 THR 18 1HG2 THR 18 3.404 -10.826 -1.025
130 HG23 THR 18 2HG2 THR 18 2.912 -11.137 -2.689
131 H LEU 19 H LEU 19 -1.380 -9.677 -0.027
132 HA LEU 19 HA LEU 19 -3.260 -11.195 -1.687
133 HB2 LEU 19 1HB LEU 19 -4.500 -11.157 0.765
134 HB3 LEU 19 2HB LEU 19 -3.716 -12.547 0.018
135 HG LEU 19 HG LEU 19 -1.625 -11.933 1.234
136 HD11 LEU 19 1HD1 LEU 19 -2.910 -10.357 3.270
137 HD12 LEU 19 2HD1 LEU 19 -2.992 -9.546 1.707
138 HD13 LEU 19 3HD1 LEU 19 -1.431 -10.034 2.365
139 HD21 LEU 19 3HD2 LEU 19 -3.867 -12.303 3.189
140 HD22 LEU 19 1HD2 LEU 19 -2.253 -13.014 3.198
141 HD23 LEU 19 2HD2 LEU 19 -3.452 -13.562 2.026
142 H GLY 20 H GLY 20 -2.279 -8.312 -1.223
143 HA2 GLY 20 1HA GLY 20 -3.263 -6.256 -1.566
144 HA3 GLY 20 2HA GLY 20 -4.808 -7.079 -1.716
145 H THR 21 H THR 21 -2.606 -7.146 1.047
146 HA THR 21 HA THR 21 -3.858 -5.187 2.604
147 HB THR 21 HB THR 21 -5.846 -6.542 2.595
148 HG1 THR 21 HG1 THR 21 -5.866 -7.102 4.926
149 HG21 THR 21 3HG2 THR 21 -4.783 -8.684 1.993
150 HG22 THR 21 1HG2 THR 21 -5.878 -8.849 3.365
151 HG23 THR 21 2HG2 THR 21 -4.135 -8.806 3.628
152 H CYS 22 H CYS 22 -2.563 -4.742 4.280
153 HA CYS 22 HA CYS 22 -0.174 -6.181 4.692
154 HB2 CYS 22 1HB CYS 22 -1.532 -4.029 6.321
155 HB3 CYS 22 2HB CYS 22 0.056 -4.679 6.717
156 H SER 23 H SER 23 0.508 -6.875 6.973
157 HA SER 23 HA SER 23 -1.342 -8.932 7.821
158 HB2 SER 23 1HB SER 23 1.363 -8.888 7.621
159 HB3 SER 23 2HB SER 23 1.167 -8.539 9.339
160 HG SER 23 HG SER 23 1.156 -10.704 9.262
161 H THR 24 H THR 24 0.496 -6.378 9.505
162 HA THR 24 HA THR 24 -0.819 -6.601 11.961
163 HB THR 24 HB THR 24 1.311 -5.338 11.557
164 HG1 THR 24 HG1 THR 24 0.028 -5.082 13.491
165 HG21 THR 24 3HG2 THR 24 -0.243 -3.930 9.721
166 HG22 THR 24 1HG2 THR 24 1.398 -3.541 10.233
167 HG23 THR 24 2HG2 THR 24 0.020 -2.799 11.047
168 H GLN 25 H GLN 25 -2.016 -4.541 12.878
169 HA GLN 25 HA GLN 25 -4.314 -4.092 11.101
170 HB2 GLN 25 1HB GLN 25 -4.815 -5.242 13.214
171 HB3 GLN 25 2HB GLN 25 -4.136 -3.892 14.113
172 HG2 GLN 25 1HG GLN 25 -6.042 -2.754 12.431
173 HG3 GLN 25 2HG GLN 25 -6.780 -4.237 13.036
174 HE21 GLN 25 2HE2 GLN 25 -6.261 -4.549 15.489
175 HE22 GLN 25 1HE2 GLN 25 -6.593 -3.167 16.471
176 H GLY 26 H GLY 26 -3.679 -2.284 9.975
177 HA2 GLY 26 1HA GLY 26 -4.287 0.194 10.579
178 HA3 GLY 26 2HA GLY 26 -2.793 0.059 11.495
179 H CYS 27 H CYS 27 -1.366 -1.560 9.644
180 HA CYS 27 HA CYS 27 -0.356 0.464 7.930
181 HB2 CYS 27 1HB CYS 27 0.189 -2.483 8.214
182 HB3 CYS 27 2HB CYS 27 0.959 -1.526 6.952
183 H THR 28 H THR 28 -0.275 0.462 5.625
184 HA THR 28 HA THR 28 -2.437 -1.052 4.322
185 HB THR 28 HB THR 28 -3.179 1.273 4.692
186 HG1 THR 28 HG1 THR 28 -3.901 0.184 2.818
187 HG21 THR 28 3HG2 THR 28 -0.732 1.935 3.058
188 HG22 THR 28 1HG2 THR 28 -1.116 2.478 4.691
189 HG23 THR 28 2HG2 THR 28 -2.063 3.062 3.323
190 H CYS 29 H CYS 29 -2.051 -1.750 2.244
191 HA CYS 29 HA CYS 29 0.683 -2.028 1.480
192 HB2 CYS 29 1HB CYS 29 -1.830 -2.704 -0.065
193 HB3 CYS 29 2HB CYS 29 -0.204 -3.252 -0.457
Start of MODEL 11
1 H1 SER 1 H SER 1 1.785 0.045 0.873
2 HA SER 1 HA SER 1 1.500 0.543 -1.982
3 HB2 SER 1 1HB SER 1 3.180 1.732 -0.430
4 HB3 SER 1 2HB SER 1 4.110 0.236 -0.508
5 HG SER 1 HG SER 1 4.678 0.693 -2.488
6 H TRP 2 H TRP 2 0.475 -1.791 -1.820
7 HA TRP 2 HA TRP 2 1.893 -4.103 -1.533
8 HB2 TRP 2 1HB TRP 2 -0.486 -4.086 -2.067
9 HB3 TRP 2 2HB TRP 2 -0.142 -3.473 -3.682
10 HD1 TRP 2 HD1 TRP 2 -0.442 -6.660 -1.734
11 HE1 TRP 2 HE1 TRP 2 0.052 -8.667 -3.267
12 HE3 TRP 2 HE3 TRP 2 1.439 -4.153 -5.772
13 HZ2 TRP 2 HZ2 TRP 2 1.102 -9.127 -5.846
14 HZ3 TRP 2 HZ3 TRP 2 2.166 -5.451 -7.732
15 HH2 TRP 2 HH2 TRP 2 2.001 -7.886 -7.766
16 HA PRO 3 HA PRO 3 2.449 -6.061 -2.221
17 HB2 PRO 3 1HB PRO 3 4.942 -7.087 -1.902
18 HB3 PRO 3 2HB PRO 3 3.916 -7.470 -3.290
19 HG2 PRO 3 1HG PRO 3 6.163 -5.503 -3.081
20 HG3 PRO 3 2HG PRO 3 5.791 -6.642 -4.388
21 HD2 PRO 3 1HD PRO 3 5.154 -4.013 -4.521
22 HD3 PRO 3 2HD PRO 3 4.167 -5.275 -5.288
23 H ILE 4 H ILE 4 5.309 -3.982 -1.854
24 HA ILE 4 HA ILE 4 5.903 -4.290 0.788
25 HB ILE 4 HB ILE 4 5.777 -1.591 -0.556
26 HG12 ILE 4 1HG1 ILE 4 6.954 -3.048 -2.054
27 HG13 ILE 4 2HG1 ILE 4 8.159 -2.091 -1.200
28 HG21 ILE 4 1HG2 ILE 4 7.326 -2.700 1.766
29 HG22 ILE 4 2HG2 ILE 4 7.823 -1.239 0.914
30 HG23 ILE 4 3HG2 ILE 4 6.259 -1.297 1.726
31 HD11 ILE 4 3HD1 ILE 4 7.984 -4.276 0.397
32 HD12 ILE 4 1HD1 ILE 4 7.690 -4.977 -1.194
33 HD13 ILE 4 2HD1 ILE 4 9.166 -4.059 -0.893
34 H CYS 5 H CYS 5 5.357 -3.079 2.704
35 HA CYS 5 HA CYS 5 2.566 -2.130 2.701
36 HB2 CYS 5 1HB CYS 5 4.019 -3.974 4.531
37 HB3 CYS 5 2HB CYS 5 2.851 -2.872 5.254
38 H LYS 6 H LYS 6 2.094 -0.260 3.766
39 HA LYS 6 HA LYS 6 4.124 1.032 5.401
40 HB2 LYS 6 1HB LYS 6 3.259 1.990 2.712
41 HB3 LYS 6 2HB LYS 6 3.546 3.189 3.965
42 HG2 LYS 6 1HG LYS 6 5.673 3.134 3.329
43 HG3 LYS 6 2HG LYS 6 5.762 1.567 4.136
44 HD2 LYS 6 1HD LYS 6 5.298 0.416 2.082
45 HD3 LYS 6 2HD LYS 6 4.975 1.938 1.248
46 HE2 LYS 6 1HE LYS 6 7.632 1.360 2.522
47 HE3 LYS 6 2HE LYS 6 7.256 0.836 0.881
48 HZ1 LYS 6 3HZ LYS 6 7.724 2.857 0.153
49 HZ2 LYS 6 1HZ LYS 6 8.130 3.345 1.721
50 HZ3 LYS 6 2HZ LYS 6 6.546 3.538 1.159
51 H ARG 7 H ARG 7 3.274 2.302 6.972
52 HA ARG 7 HA ARG 7 0.449 2.177 7.411
53 HB2 ARG 7 1HB ARG 7 1.848 2.032 9.334
54 HB3 ARG 7 2HB ARG 7 2.708 3.503 8.902
55 HG2 ARG 7 1HG ARG 7 1.261 4.760 10.012
56 HG3 ARG 7 2HG ARG 7 -0.111 4.015 9.187
57 HD2 ARG 7 1HD ARG 7 -0.542 2.624 10.901
58 HD3 ARG 7 2HD ARG 7 1.167 2.320 11.211
59 HE ARG 7 HE ARG 7 1.098 3.914 12.841
60 HH11 ARG 7 1HH1 ARG 7 -1.604 4.393 10.699
61 HH12 ARG 7 2HH1 ARG 7 -2.312 5.648 11.661
62 HH21 ARG 7 1HH2 ARG 7 0.177 5.565 14.116
63 HH22 ARG 7 2HH2 ARG 7 -1.297 6.315 13.604
64 H ASN 8 H ASN 8 2.499 5.075 7.603
65 HA ASN 8 HA ASN 8 0.327 6.587 6.322
66 HB2 ASN 8 1HB ASN 8 1.363 8.583 7.378
67 HB3 ASN 8 2HB ASN 8 0.851 7.377 8.555
68 HD21 ASN 8 2HD2 ASN 8 2.535 5.889 9.331
69 HD22 ASN 8 1HD2 ASN 8 4.137 6.505 9.536
70 H GLY 9 H GLY 9 2.459 5.013 4.964
71 HA2 GLY 9 1HA GLY 9 3.279 5.469 2.783
72 HA3 GLY 9 2HA GLY 9 3.367 7.174 3.202
73 H LEU 10 H LEU 10 4.603 4.727 5.350
74 HA LEU 10 HA LEU 10 7.341 5.207 4.443
75 HB2 LEU 10 1HB LEU 10 6.474 5.547 7.309
76 HB3 LEU 10 2HB LEU 10 8.115 5.704 6.686
77 HG LEU 10 HG LEU 10 5.968 7.505 5.648
78 HD11 LEU 10 1HD1 LEU 10 6.149 7.348 8.284
79 HD12 LEU 10 2HD1 LEU 10 5.946 8.889 7.453
80 HD13 LEU 10 3HD1 LEU 10 7.545 8.388 8.001
81 HD21 LEU 10 3HD2 LEU 10 8.946 7.516 5.890
82 HD22 LEU 10 1HD2 LEU 10 8.067 9.039 5.759
83 HD23 LEU 10 2HD2 LEU 10 7.932 7.831 4.481
84 HA PRO 11 HA PRO 11 7.905 0.938 5.303
85 HB2 PRO 11 1HB PRO 11 10.551 0.881 5.906
86 HB3 PRO 11 2HB PRO 11 9.945 1.126 4.264
87 HG2 PRO 11 1HG PRO 11 10.916 3.148 6.246
88 HG3 PRO 11 2HG PRO 11 11.244 3.039 4.507
89 HD2 PRO 11 1HD PRO 11 9.410 4.743 5.540
90 HD3 PRO 11 2HD PRO 11 9.226 3.998 3.939
91 H VAL 12 H VAL 12 6.523 1.425 7.321
92 HA VAL 12 HA VAL 12 8.138 1.090 9.761
93 HB VAL 12 HB VAL 12 6.250 1.903 11.032
94 HG11 VAL 12 1HG1 VAL 12 6.996 3.614 8.671
95 HG12 VAL 12 2HG1 VAL 12 6.052 4.212 10.037
96 HG13 VAL 12 3HG1 VAL 12 7.698 3.627 10.289
97 HG21 VAL 12 3HG2 VAL 12 4.198 2.679 9.949
98 HG22 VAL 12 1HG2 VAL 12 4.809 2.124 8.390
99 HG23 VAL 12 2HG2 VAL 12 4.458 0.958 9.665
100 H CYS 13 H CYS 13 5.773 -0.365 7.711
101 HA CYS 13 HA CYS 13 4.831 -2.287 9.623
102 HB2 CYS 13 1HB CYS 13 4.635 -2.541 6.626
103 HB3 CYS 13 2HB CYS 13 3.556 -3.205 7.849
104 H GLY 14 H GLY 14 7.374 -2.143 7.221
105 HA2 GLY 14 1HA GLY 14 9.045 -3.616 6.660
106 HA3 GLY 14 2HA GLY 14 8.957 -4.111 8.344
107 H GLU 15 H GLU 15 6.441 -4.465 5.890
108 HA GLU 15 HA GLU 15 6.934 -7.343 5.771
109 HB2 GLU 15 1HB GLU 15 4.705 -7.948 6.359
110 HB3 GLU 15 2HB GLU 15 5.292 -6.872 7.619
111 HG2 GLU 15 1HG GLU 15 4.119 -5.005 6.374
112 HG3 GLU 15 2HG GLU 15 3.338 -6.269 5.425
113 H THR 16 H THR 16 5.510 -8.399 4.107
114 HA THR 16 HA THR 16 4.842 -6.531 1.930
115 HB THR 16 HB THR 16 5.651 -8.305 0.328
116 HG1 THR 16 HG1 THR 16 5.887 -10.114 1.536
117 HG21 THR 16 3HG2 THR 16 7.704 -7.327 0.200
118 HG22 THR 16 1HG2 THR 16 8.021 -7.509 1.925
119 HG23 THR 16 2HG2 THR 16 6.964 -6.218 1.354
120 H CYS 17 H CYS 17 2.716 -6.651 1.641
121 HA CYS 17 HA CYS 17 1.248 -9.066 2.261
122 HB2 CYS 17 1HB CYS 17 -0.744 -7.718 1.682
123 HB3 CYS 17 2HB CYS 17 0.276 -6.924 2.877
124 H THR 18 H THR 18 0.359 -10.473 0.845
125 HA THR 18 HA THR 18 0.805 -9.957 -2.024
126 HB THR 18 HB THR 18 0.731 -12.614 -2.044
127 HG1 THR 18 HG1 THR 18 0.471 -12.649 0.301
128 HG21 THR 18 3HG2 THR 18 2.842 -12.366 -2.734
129 HG22 THR 18 1HG2 THR 18 3.373 -11.838 -1.139
130 HG23 THR 18 2HG2 THR 18 2.704 -10.669 -2.277
131 H LEU 19 H LEU 19 -1.565 -9.636 -0.096
132 HA LEU 19 HA LEU 19 -3.512 -10.930 -1.867
133 HB2 LEU 19 1HB LEU 19 -4.789 -10.959 0.558
134 HB3 LEU 19 2HB LEU 19 -4.052 -12.347 -0.239
135 HG LEU 19 HG LEU 19 -1.968 -11.897 1.051
136 HD11 LEU 19 1HD1 LEU 19 -3.248 -9.469 1.616
137 HD12 LEU 19 2HD1 LEU 19 -1.701 -10.044 2.237
138 HD13 LEU 19 3HD1 LEU 19 -3.184 -10.355 3.140
139 HD21 LEU 19 3HD2 LEU 19 -2.752 -12.893 3.074
140 HD22 LEU 19 1HD2 LEU 19 -3.723 -13.534 1.748
141 HD23 LEU 19 2HD2 LEU 19 -4.387 -12.287 2.804
142 H GLY 20 H GLY 20 -2.344 -8.134 -1.096
143 HA2 GLY 20 1HA GLY 20 -3.216 -6.012 -1.410
144 HA3 GLY 20 2HA GLY 20 -4.813 -6.730 -1.568
145 H THR 21 H THR 21 -2.590 -7.087 1.151
146 HA THR 21 HA THR 21 -3.653 -5.120 2.824
147 HB THR 21 HB THR 21 -5.760 -6.245 2.798
148 HG1 THR 21 HG1 THR 21 -4.721 -5.640 4.915
149 HG21 THR 21 3HG2 THR 21 -4.914 -8.427 1.973
150 HG22 THR 21 1HG2 THR 21 -6.049 -8.590 3.312
151 HG23 THR 21 2HG2 THR 21 -4.319 -8.775 3.596
152 H CYS 22 H CYS 22 -2.386 -4.920 4.583
153 HA CYS 22 HA CYS 22 -0.157 -6.678 4.890
154 HB2 CYS 22 1HB CYS 22 -1.057 -4.455 6.732
155 HB3 CYS 22 2HB CYS 22 0.546 -5.179 6.662
156 H SER 23 H SER 23 0.417 -7.873 6.773
157 HA SER 23 HA SER 23 -1.725 -9.407 7.835
158 HB2 SER 23 1HB SER 23 -0.095 -10.844 8.440
159 HB3 SER 23 2HB SER 23 0.995 -9.773 7.560
160 HG SER 23 HG SER 23 1.280 -10.367 9.994
161 H THR 24 H THR 24 -0.048 -6.574 8.891
162 HA THR 24 HA THR 24 -0.918 -6.792 11.641
163 HB THR 24 HB THR 24 1.238 -5.689 10.997
164 HG1 THR 24 HG1 THR 24 0.836 -3.856 12.444
165 HG21 THR 24 3HG2 THR 24 1.354 -3.801 9.748
166 HG22 THR 24 1HG2 THR 24 -0.175 -3.173 10.360
167 HG23 THR 24 2HG2 THR 24 -0.169 -4.402 9.095
168 H GLN 25 H GLN 25 -1.920 -4.632 12.544
169 HA GLN 25 HA GLN 25 -4.239 -3.986 10.846
170 HB2 GLN 25 1HB GLN 25 -4.086 -4.142 13.861
171 HB3 GLN 25 2HB GLN 25 -5.502 -3.643 12.945
172 HG2 GLN 25 1HG GLN 25 -5.581 -5.859 11.891
173 HG3 GLN 25 2HG GLN 25 -4.195 -6.353 12.863
174 HE21 GLN 25 2HE2 GLN 25 -4.475 -6.210 15.225
175 HE22 GLN 25 1HE2 GLN 25 -6.025 -6.587 15.888
176 H GLY 26 H GLY 26 -3.865 -2.033 9.988
177 HA2 GLY 26 1HA GLY 26 -4.213 0.359 10.792
178 HA3 GLY 26 2HA GLY 26 -2.769 0.065 11.750
179 H CYS 27 H CYS 27 -1.932 -1.647 9.267
180 HA CYS 27 HA CYS 27 -0.475 0.532 8.017
181 HB2 CYS 27 1HB CYS 27 -0.256 -2.449 8.026
182 HB3 CYS 27 2HB CYS 27 0.468 -1.554 6.694
183 H THR 28 H THR 28 -0.121 0.161 5.526
184 HA THR 28 HA THR 28 -2.539 -0.649 4.138
185 HB THR 28 HB THR 28 -1.813 1.965 3.147
186 HG1 THR 28 HG1 THR 28 -2.695 3.080 5.042
187 HG21 THR 28 3HG2 THR 28 -3.902 1.299 2.492
188 HG22 THR 28 1HG2 THR 28 -4.338 2.255 3.907
189 HG23 THR 28 2HG2 THR 28 -4.247 0.497 4.024
190 H CYS 29 H CYS 29 -1.765 -1.891 2.569
191 HA CYS 29 HA CYS 29 0.819 -2.004 1.625
192 HB2 CYS 29 1HB CYS 29 -1.706 -2.651 0.086
193 HB3 CYS 29 2HB CYS 29 -0.087 -3.214 -0.318
Start of MODEL 12
1 H1 SER 1 H SER 1 1.551 0.033 0.792
2 HA SER 1 HA SER 1 1.365 0.575 -2.057
3 HB2 SER 1 1HB SER 1 2.944 1.741 -0.342
4 HB3 SER 1 2HB SER 1 3.951 0.309 -0.550
5 HG SER 1 HG SER 1 3.569 2.423 -2.224
6 H TRP 2 H TRP 2 0.433 -1.844 -1.888
7 HA TRP 2 HA TRP 2 1.964 -4.078 -1.650
8 HB2 TRP 2 1HB TRP 2 -0.406 -4.174 -2.210
9 HB3 TRP 2 2HB TRP 2 -0.079 -3.510 -3.809
10 HD1 TRP 2 HD1 TRP 2 -0.235 -6.749 -1.931
11 HE1 TRP 2 HE1 TRP 2 0.380 -8.695 -3.499
12 HE3 TRP 2 HE3 TRP 2 1.560 -4.063 -5.893
13 HZ2 TRP 2 HZ2 TRP 2 1.482 -9.046 -6.074
14 HZ3 TRP 2 HZ3 TRP 2 2.376 -5.280 -7.870
15 HH2 TRP 2 HH2 TRP 2 2.337 -7.720 -7.956
16 HA PRO 3 HA PRO 3 2.622 -5.994 -2.374
17 HB2 PRO 3 1HB PRO 3 5.159 -6.903 -2.047
18 HB3 PRO 3 2HB PRO 3 4.167 -7.307 -3.454
19 HG2 PRO 3 1HG PRO 3 6.312 -5.237 -3.178
20 HG3 PRO 3 2HG PRO 3 6.010 -6.364 -4.513
21 HD2 PRO 3 1HD PRO 3 5.247 -3.768 -4.599
22 HD3 PRO 3 2HD PRO 3 4.332 -5.059 -5.403
23 H ILE 4 H ILE 4 5.457 -3.887 -1.911
24 HA ILE 4 HA ILE 4 5.961 -4.208 0.745
25 HB ILE 4 HB ILE 4 5.881 -1.502 -0.589
26 HG12 ILE 4 1HG1 ILE 4 7.114 -2.959 -2.043
27 HG13 ILE 4 2HG1 ILE 4 8.284 -1.997 -1.147
28 HG21 ILE 4 1HG2 ILE 4 6.273 -1.216 1.712
29 HG22 ILE 4 2HG2 ILE 4 7.343 -2.615 1.787
30 HG23 ILE 4 3HG2 ILE 4 7.866 -1.148 0.959
31 HD11 ILE 4 3HD1 ILE 4 9.291 -3.949 -0.779
32 HD12 ILE 4 1HD1 ILE 4 8.040 -4.193 0.440
33 HD13 ILE 4 2HD1 ILE 4 7.846 -4.880 -1.173
34 H CYS 5 H CYS 5 5.350 -3.024 2.655
35 HA CYS 5 HA CYS 5 2.578 -2.026 2.563
36 HB2 CYS 5 1HB CYS 5 3.585 -4.258 3.967
37 HB3 CYS 5 2HB CYS 5 3.285 -3.010 5.173
38 H LYS 6 H LYS 6 2.071 -0.238 3.791
39 HA LYS 6 HA LYS 6 4.099 0.955 5.498
40 HB2 LYS 6 1HB LYS 6 3.152 2.169 2.918
41 HB3 LYS 6 2HB LYS 6 3.689 3.189 4.246
42 HG2 LYS 6 1HG LYS 6 5.699 2.992 3.290
43 HG3 LYS 6 2HG LYS 6 5.737 1.418 4.087
44 HD2 LYS 6 1HD LYS 6 5.041 0.303 2.112
45 HD3 LYS 6 2HD LYS 6 4.621 1.823 1.320
46 HE2 LYS 6 1HE LYS 6 7.422 1.147 2.188
47 HE3 LYS 6 2HE LYS 6 6.790 0.739 0.593
48 HZ1 LYS 6 3HZ LYS 6 7.645 3.285 1.632
49 HZ2 LYS 6 1HZ LYS 6 6.161 3.350 0.823
50 HZ3 LYS 6 2HZ LYS 6 7.531 2.753 0.030
51 H ARG 7 H ARG 7 3.263 2.275 7.070
52 HA ARG 7 HA ARG 7 0.419 2.107 7.492
53 HB2 ARG 7 1HB ARG 7 1.948 1.829 9.373
54 HB3 ARG 7 2HB ARG 7 2.594 3.443 9.111
55 HG2 ARG 7 1HG ARG 7 1.121 4.114 10.635
56 HG3 ARG 7 2HG ARG 7 -0.102 3.897 9.381
57 HD2 ARG 7 1HD ARG 7 -1.028 2.594 10.998
58 HD3 ARG 7 2HD ARG 7 0.016 1.389 10.245
59 HE ARG 7 HE ARG 7 1.190 1.281 12.194
60 HH11 ARG 7 1HH1 ARG 7 -0.523 4.310 12.102
61 HH12 ARG 7 2HH1 ARG 7 -0.056 4.772 13.705
62 HH21 ARG 7 1HH2 ARG 7 1.811 1.877 14.306
63 HH22 ARG 7 2HH2 ARG 7 1.272 3.388 14.958
64 H ASN 8 H ASN 8 2.633 4.902 7.644
65 HA ASN 8 HA ASN 8 0.441 6.574 6.617
66 HB2 ASN 8 1HB ASN 8 2.805 7.192 8.379
67 HB3 ASN 8 2HB ASN 8 1.906 8.466 7.561
68 HD21 ASN 8 2HD2 ASN 8 1.570 5.754 9.784
69 HD22 ASN 8 1HD2 ASN 8 0.224 6.401 10.654
70 H GLY 9 H GLY 9 2.248 4.937 4.977
71 HA2 GLY 9 1HA GLY 9 2.966 5.360 2.781
72 HA3 GLY 9 2HA GLY 9 3.102 7.067 3.177
73 H LEU 10 H LEU 10 4.504 4.870 5.407
74 HA LEU 10 HA LEU 10 7.158 5.215 4.199
75 HB2 LEU 10 1HB LEU 10 6.572 5.640 7.123
76 HB3 LEU 10 2HB LEU 10 8.124 5.837 6.312
77 HG LEU 10 HG LEU 10 6.002 7.535 5.227
78 HD11 LEU 10 1HD1 LEU 10 5.724 7.290 7.866
79 HD12 LEU 10 2HD1 LEU 10 5.489 8.820 7.021
80 HD13 LEU 10 3HD1 LEU 10 7.017 8.490 7.838
81 HD21 LEU 10 3HD2 LEU 10 7.786 8.719 4.635
82 HD22 LEU 10 1HD2 LEU 10 8.791 7.455 5.344
83 HD23 LEU 10 2HD2 LEU 10 8.322 8.855 6.310
84 HA PRO 11 HA PRO 11 7.786 0.982 5.184
85 HB2 PRO 11 1HB PRO 11 10.472 0.937 5.576
86 HB3 PRO 11 2HB PRO 11 9.737 1.119 3.979
87 HG2 PRO 11 1HG PRO 11 10.865 3.215 5.796
88 HG3 PRO 11 2HG PRO 11 11.053 3.036 4.041
89 HD2 PRO 11 1HD PRO 11 9.309 4.787 5.148
90 HD3 PRO 11 2HD PRO 11 8.998 3.980 3.598
91 H VAL 12 H VAL 12 6.568 1.418 7.264
92 HA VAL 12 HA VAL 12 8.379 1.042 9.560
93 HB VAL 12 HB VAL 12 6.804 2.182 10.997
94 HG11 VAL 12 1HG1 VAL 12 7.319 3.861 8.545
95 HG12 VAL 12 2HG1 VAL 12 7.065 4.442 10.192
96 HG13 VAL 12 3HG1 VAL 12 8.511 3.511 9.797
97 HG21 VAL 12 3HG2 VAL 12 4.737 1.550 9.872
98 HG22 VAL 12 1HG2 VAL 12 4.814 3.297 10.099
99 HG23 VAL 12 2HG2 VAL 12 5.141 2.599 8.513
100 H CYS 13 H CYS 13 6.996 -0.891 7.753
101 HA CYS 13 HA CYS 13 5.581 -2.385 9.855
102 HB2 CYS 13 1HB CYS 13 4.779 -2.492 6.949
103 HB3 CYS 13 2HB CYS 13 3.904 -3.124 8.341
104 H GLY 14 H GLY 14 7.381 -2.513 6.811
105 HA2 GLY 14 1HA GLY 14 8.737 -4.133 5.912
106 HA3 GLY 14 2HA GLY 14 9.090 -4.563 7.579
107 H GLU 15 H GLU 15 5.959 -4.771 5.958
108 HA GLU 15 HA GLU 15 6.161 -7.702 6.033
109 HB2 GLU 15 1HB GLU 15 3.583 -7.476 6.627
110 HB3 GLU 15 2HB GLU 15 4.822 -7.507 7.874
111 HG2 GLU 15 1HG GLU 15 4.784 -5.077 7.993
112 HG3 GLU 15 2HG GLU 15 3.565 -5.028 6.720
113 H THR 16 H THR 16 6.597 -7.382 3.741
114 HA THR 16 HA THR 16 4.920 -6.146 1.915
115 HB THR 16 HB THR 16 5.797 -7.837 0.251
116 HG1 THR 16 HG1 THR 16 7.132 -9.412 0.951
117 HG21 THR 16 3HG2 THR 16 7.056 -5.704 1.502
118 HG22 THR 16 1HG2 THR 16 7.554 -6.478 -0.001
119 HG23 THR 16 2HG2 THR 16 8.260 -6.991 1.531
120 H CYS 17 H CYS 17 2.912 -6.517 1.253
121 HA CYS 17 HA CYS 17 1.605 -9.012 2.038
122 HB2 CYS 17 1HB CYS 17 -0.495 -7.827 1.477
123 HB3 CYS 17 2HB CYS 17 0.464 -6.962 2.674
124 H THR 18 H THR 18 0.669 -10.416 0.607
125 HA THR 18 HA THR 18 1.226 -9.924 -2.246
126 HB THR 18 HB THR 18 1.058 -12.568 -2.269
127 HG1 THR 18 HG1 THR 18 1.554 -13.505 -0.381
128 HG21 THR 18 3HG2 THR 18 3.010 -11.551 -3.087
129 HG22 THR 18 1HG2 THR 18 3.576 -12.600 -1.788
130 HG23 THR 18 2HG2 THR 18 3.417 -10.865 -1.514
131 H LEU 19 H LEU 19 -1.210 -9.945 -0.106
132 HA LEU 19 HA LEU 19 -3.129 -11.116 -2.011
133 HB2 LEU 19 1HB LEU 19 -4.548 -10.915 0.281
134 HB3 LEU 19 2HB LEU 19 -3.685 -12.361 -0.237
135 HG LEU 19 HG LEU 19 -1.757 -11.640 1.163
136 HD11 LEU 19 1HD1 LEU 19 -3.040 -9.912 2.961
137 HD12 LEU 19 2HD1 LEU 19 -3.329 -9.251 1.353
138 HD13 LEU 19 3HD1 LEU 19 -1.679 -9.551 1.899
139 HD21 LEU 19 3HD2 LEU 19 -4.358 -11.927 2.663
140 HD22 LEU 19 1HD2 LEU 19 -2.744 -12.308 3.264
141 HD23 LEU 19 2HD2 LEU 19 -3.444 -13.259 1.954
142 H GLY 20 H GLY 20 -2.006 -8.255 -0.643
143 HA2 GLY 20 1HA GLY 20 -2.714 -6.115 -1.331
144 HA3 GLY 20 2HA GLY 20 -4.268 -6.799 -1.782
145 H THR 21 H THR 21 -2.544 -7.090 1.297
146 HA THR 21 HA THR 21 -3.901 -5.121 2.725
147 HB THR 21 HB THR 21 -5.978 -6.199 2.406
148 HG1 THR 21 HG1 THR 21 -5.446 -5.673 4.634
149 HG21 THR 21 3HG2 THR 21 -4.672 -8.796 3.227
150 HG22 THR 21 1HG2 THR 21 -5.093 -8.345 1.575
151 HG23 THR 21 2HG2 THR 21 -6.363 -8.573 2.778
152 H CYS 22 H CYS 22 -2.479 -4.786 4.291
153 HA CYS 22 HA CYS 22 -0.515 -6.570 5.123
154 HB2 CYS 22 1HB CYS 22 -1.379 -3.924 5.817
155 HB3 CYS 22 2HB CYS 22 -1.039 -4.825 7.291
156 H SER 23 H SER 23 -0.313 -6.993 7.670
157 HA SER 23 HA SER 23 -2.816 -8.137 8.673
158 HB2 SER 23 1HB SER 23 -1.051 -9.756 7.405
159 HB3 SER 23 2HB SER 23 -0.425 -9.840 9.051
160 HG SER 23 HG SER 23 -1.997 -11.437 8.706
161 H THR 24 H THR 24 -1.661 -5.813 9.576
162 HA THR 24 HA THR 24 -0.787 -6.617 12.264
163 HB THR 24 HB THR 24 1.180 -5.837 10.911
164 HG1 THR 24 HG1 THR 24 1.139 -5.627 13.205
165 HG21 THR 24 3HG2 THR 24 0.633 -3.024 11.167
166 HG22 THR 24 1HG2 THR 24 -0.589 -3.794 10.156
167 HG23 THR 24 2HG2 THR 24 1.119 -3.941 9.741
168 H GLN 25 H GLN 25 -3.166 -5.290 10.609
169 HA GLN 25 HA GLN 25 -4.813 -3.762 10.993
170 HB2 GLN 25 1HB GLN 25 -4.696 -5.277 13.140
171 HB3 GLN 25 2HB GLN 25 -4.132 -3.798 13.906
172 HG2 GLN 25 1HG GLN 25 -6.143 -2.699 13.563
173 HG3 GLN 25 2HG GLN 25 -6.642 -3.806 12.285
174 HE21 GLN 25 2HE2 GLN 25 -6.997 -6.084 12.993
175 HE22 GLN 25 1HE2 GLN 25 -7.762 -6.330 14.523
176 H GLY 26 H GLY 26 -3.831 -1.993 9.968
177 HA2 GLY 26 1HA GLY 26 -3.799 0.431 10.874
178 HA3 GLY 26 2HA GLY 26 -2.355 -0.132 11.703
179 H CYS 27 H CYS 27 -1.454 -1.814 9.524
180 HA CYS 27 HA CYS 27 -0.210 0.264 7.926
181 HB2 CYS 27 1HB CYS 27 0.270 -2.689 8.265
182 HB3 CYS 27 2HB CYS 27 1.056 -1.775 6.982
183 H THR 28 H THR 28 -0.283 0.399 5.682
184 HA THR 28 HA THR 28 -2.385 -1.193 4.368
185 HB THR 28 HB THR 28 -3.204 1.093 4.795
186 HG1 THR 28 HG1 THR 28 -3.931 1.400 2.703
187 HG21 THR 28 3HG2 THR 28 -0.802 1.882 3.150
188 HG22 THR 28 1HG2 THR 28 -1.180 2.367 4.802
189 HG23 THR 28 2HG2 THR 28 -2.167 2.954 3.463
190 H CYS 29 H CYS 29 -2.003 -1.849 2.281
191 HA CYS 29 HA CYS 29 0.729 -1.994 1.465
192 HB2 CYS 29 1HB CYS 29 -1.778 -2.781 -0.035
193 HB3 CYS 29 2HB CYS 29 -0.135 -3.246 -0.465
Start of MODEL 13
1 H1 SER 1 H SER 1 1.822 0.067 0.849
2 HA SER 1 HA SER 1 1.535 0.548 -2.008
3 HB2 SER 1 1HB SER 1 3.204 1.803 -0.595
4 HB3 SER 1 2HB SER 1 4.093 0.291 -0.415
5 HG SER 1 HG SER 1 5.022 1.087 -2.166
6 H TRP 2 H TRP 2 0.494 -1.775 -1.836
7 HA TRP 2 HA TRP 2 1.892 -4.098 -1.530
8 HB2 TRP 2 1HB TRP 2 -0.485 -4.064 -2.070
9 HB3 TRP 2 2HB TRP 2 -0.132 -3.464 -3.688
10 HD1 TRP 2 HD1 TRP 2 -0.464 -6.636 -1.721
11 HE1 TRP 2 HE1 TRP 2 0.018 -8.657 -3.240
12 HE3 TRP 2 HE3 TRP 2 1.449 -4.170 -5.770
13 HZ2 TRP 2 HZ2 TRP 2 1.071 -9.141 -5.814
14 HZ3 TRP 2 HZ3 TRP 2 2.171 -5.486 -7.720
15 HH2 TRP 2 HH2 TRP 2 1.986 -7.920 -7.739
16 HA PRO 3 HA PRO 3 2.435 -6.064 -2.205
17 HB2 PRO 3 1HB PRO 3 4.918 -7.108 -1.873
18 HB3 PRO 3 2HB PRO 3 3.892 -7.492 -3.260
19 HG2 PRO 3 1HG PRO 3 6.154 -5.542 -3.060
20 HG3 PRO 3 2HG PRO 3 5.776 -6.686 -4.360
21 HD2 PRO 3 1HD PRO 3 5.161 -4.054 -4.512
22 HD3 PRO 3 2HD PRO 3 4.166 -5.312 -5.272
23 H ILE 4 H ILE 4 5.303 -3.997 -1.846
24 HA ILE 4 HA ILE 4 5.893 -4.296 0.799
25 HB ILE 4 HB ILE 4 5.785 -1.601 -0.555
26 HG12 ILE 4 1HG1 ILE 4 6.946 -3.065 -2.056
27 HG13 ILE 4 2HG1 ILE 4 8.164 -2.123 -1.202
28 HG21 ILE 4 1HG2 ILE 4 7.335 -2.719 1.763
29 HG22 ILE 4 2HG2 ILE 4 7.838 -1.262 0.907
30 HG23 ILE 4 3HG2 ILE 4 6.277 -1.308 1.726
31 HD11 ILE 4 3HD1 ILE 4 9.098 -4.189 -1.078
32 HD12 ILE 4 1HD1 ILE 4 8.145 -4.209 0.406
33 HD13 ILE 4 2HD1 ILE 4 7.541 -5.016 -1.042
34 H CYS 5 H CYS 5 5.352 -3.065 2.706
35 HA CYS 5 HA CYS 5 2.567 -2.100 2.693
36 HB2 CYS 5 1HB CYS 5 4.002 -3.948 4.529
37 HB3 CYS 5 2HB CYS 5 2.852 -2.828 5.253
38 H LYS 6 H LYS 6 2.093 -0.240 3.795
39 HA LYS 6 HA LYS 6 4.131 1.053 5.412
40 HB2 LYS 6 1HB LYS 6 3.282 2.010 2.717
41 HB3 LYS 6 2HB LYS 6 3.581 3.209 3.968
42 HG2 LYS 6 1HG LYS 6 5.705 3.128 3.313
43 HG3 LYS 6 2HG LYS 6 5.781 1.578 4.154
44 HD2 LYS 6 1HD LYS 6 5.308 0.387 2.125
45 HD3 LYS 6 2HD LYS 6 4.996 1.894 1.259
46 HE2 LYS 6 1HE LYS 6 7.523 2.277 2.269
47 HE3 LYS 6 2HE LYS 6 7.522 0.561 1.864
48 HZ1 LYS 6 3HZ LYS 6 6.978 1.045 -0.370
49 HZ2 LYS 6 1HZ LYS 6 8.241 2.093 0.043
50 HZ3 LYS 6 2HZ LYS 6 6.652 2.669 -0.029
51 H ARG 7 H ARG 7 3.276 2.292 6.994
52 HA ARG 7 HA ARG 7 0.461 2.190 7.435
53 HB2 ARG 7 1HB ARG 7 1.864 2.100 9.355
54 HB3 ARG 7 2HB ARG 7 2.722 3.561 8.882
55 HG2 ARG 7 1HG ARG 7 1.257 4.866 9.921
56 HG3 ARG 7 2HG ARG 7 -0.117 4.032 9.191
57 HD2 ARG 7 1HD ARG 7 -0.526 3.400 11.315
58 HD3 ARG 7 2HD ARG 7 0.687 2.169 10.964
59 HE ARG 7 HE ARG 7 2.112 3.206 12.426
60 HH11 ARG 7 1HH1 ARG 7 -0.499 5.372 11.645
61 HH12 ARG 7 2HH1 ARG 7 -0.049 6.552 12.831
62 HH21 ARG 7 1HH2 ARG 7 2.715 4.752 13.991
63 HH22 ARG 7 2HH2 ARG 7 1.780 6.198 14.164
64 H ASN 8 H ASN 8 2.489 5.109 7.546
65 HA ASN 8 HA ASN 8 0.293 6.574 6.250
66 HB2 ASN 8 1HB ASN 8 1.317 8.602 7.250
67 HB3 ASN 8 2HB ASN 8 0.840 7.416 8.462
68 HD21 ASN 8 2HD2 ASN 8 2.557 5.964 9.240
69 HD22 ASN 8 1HD2 ASN 8 4.152 6.605 9.409
70 H GLY 9 H GLY 9 2.504 4.983 4.965
71 HA2 GLY 9 1HA GLY 9 3.269 5.397 2.743
72 HA3 GLY 9 2HA GLY 9 3.354 7.110 3.126
73 H LEU 10 H LEU 10 4.613 4.727 5.326
74 HA LEU 10 HA LEU 10 7.343 5.190 4.385
75 HB2 LEU 10 1HB LEU 10 6.480 5.607 7.243
76 HB3 LEU 10 2HB LEU 10 8.126 5.727 6.624
77 HG LEU 10 HG LEU 10 6.037 7.521 5.483
78 HD11 LEU 10 1HD1 LEU 10 6.093 7.413 8.136
79 HD12 LEU 10 2HD1 LEU 10 5.906 8.931 7.258
80 HD13 LEU 10 3HD1 LEU 10 7.486 8.466 7.889
81 HD21 LEU 10 3HD2 LEU 10 8.997 7.632 5.985
82 HD22 LEU 10 1HD2 LEU 10 8.061 9.063 5.554
83 HD23 LEU 10 2HD2 LEU 10 8.137 7.693 4.445
84 HA PRO 11 HA PRO 11 7.928 0.944 5.340
85 HB2 PRO 11 1HB PRO 11 10.578 0.910 5.926
86 HB3 PRO 11 2HB PRO 11 9.961 1.115 4.283
87 HG2 PRO 11 1HG PRO 11 10.938 3.186 6.211
88 HG3 PRO 11 2HG PRO 11 11.254 3.038 4.472
89 HD2 PRO 11 1HD PRO 11 9.421 4.759 5.479
90 HD3 PRO 11 2HD PRO 11 9.229 3.977 3.896
91 H VAL 12 H VAL 12 6.559 1.469 7.355
92 HA VAL 12 HA VAL 12 8.192 1.193 9.790
93 HB VAL 12 HB VAL 12 6.241 1.981 11.045
94 HG11 VAL 12 1HG1 VAL 12 7.842 3.636 10.360
95 HG12 VAL 12 2HG1 VAL 12 7.090 3.768 8.769
96 HG13 VAL 12 3HG1 VAL 12 6.224 4.319 10.204
97 HG21 VAL 12 3HG2 VAL 12 4.198 1.902 10.178
98 HG22 VAL 12 1HG2 VAL 12 4.663 3.088 8.959
99 HG23 VAL 12 2HG2 VAL 12 4.869 1.367 8.638
100 H CYS 13 H CYS 13 5.883 -0.342 7.763
101 HA CYS 13 HA CYS 13 4.960 -2.223 9.745
102 HB2 CYS 13 1HB CYS 13 4.651 -2.531 6.766
103 HB3 CYS 13 2HB CYS 13 3.601 -3.134 8.045
104 H GLY 14 H GLY 14 7.373 -2.122 7.200
105 HA2 GLY 14 1HA GLY 14 9.041 -3.585 6.611
106 HA3 GLY 14 2HA GLY 14 9.008 -4.081 8.296
107 H GLU 15 H GLU 15 6.449 -4.428 5.877
108 HA GLU 15 HA GLU 15 6.907 -7.313 5.791
109 HB2 GLU 15 1HB GLU 15 4.505 -7.759 6.213
110 HB3 GLU 15 2HB GLU 15 5.329 -7.067 7.603
111 HG2 GLU 15 1HG GLU 15 4.428 -4.813 6.554
112 HG3 GLU 15 2HG GLU 15 3.226 -5.905 5.868
113 H THR 16 H THR 16 5.491 -8.375 4.137
114 HA THR 16 HA THR 16 4.827 -6.526 1.942
115 HB THR 16 HB THR 16 5.621 -8.326 0.359
116 HG1 THR 16 HG1 THR 16 6.903 -9.308 2.711
117 HG21 THR 16 3HG2 THR 16 7.995 -7.519 1.947
118 HG22 THR 16 1HG2 THR 16 6.947 -6.232 1.349
119 HG23 THR 16 2HG2 THR 16 7.685 -7.366 0.218
120 H CYS 17 H CYS 17 2.701 -6.635 1.654
121 HA CYS 17 HA CYS 17 1.218 -9.034 2.302
122 HB2 CYS 17 1HB CYS 17 -0.767 -7.679 1.715
123 HB3 CYS 17 2HB CYS 17 0.261 -6.880 2.901
124 H THR 18 H THR 18 0.332 -10.456 0.902
125 HA THR 18 HA THR 18 0.739 -9.953 -1.975
126 HB THR 18 HB THR 18 0.741 -12.600 -2.003
127 HG1 THR 18 HG1 THR 18 0.461 -12.714 0.315
128 HG21 THR 18 3HG2 THR 18 3.129 -10.935 -1.200
129 HG22 THR 18 1HG2 THR 18 2.552 -11.203 -2.844
130 HG23 THR 18 2HG2 THR 18 3.200 -12.549 -1.906
131 H LEU 19 H LEU 19 -1.609 -9.655 -0.031
132 HA LEU 19 HA LEU 19 -3.550 -11.030 -1.748
133 HB2 LEU 19 1HB LEU 19 -4.801 -11.024 0.689
134 HB3 LEU 19 2HB LEU 19 -4.036 -12.416 -0.075
135 HG LEU 19 HG LEU 19 -1.954 -11.883 1.183
136 HD11 LEU 19 1HD1 LEU 19 -3.173 -10.307 3.239
137 HD12 LEU 19 2HD1 LEU 19 -3.292 -9.469 1.692
138 HD13 LEU 19 3HD1 LEU 19 -1.717 -9.983 2.297
139 HD21 LEU 19 3HD2 LEU 19 -2.663 -12.908 3.179
140 HD22 LEU 19 1HD2 LEU 19 -3.765 -13.497 1.934
141 HD23 LEU 19 2HD2 LEU 19 -4.287 -12.231 3.046
142 H GLY 20 H GLY 20 -2.426 -8.190 -1.024
143 HA2 GLY 20 1HA GLY 20 -3.351 -6.097 -1.406
144 HA3 GLY 20 2HA GLY 20 -4.936 -6.851 -1.506
145 H THR 21 H THR 21 -2.649 -7.090 1.172
146 HA THR 21 HA THR 21 -3.702 -5.093 2.812
147 HB THR 21 HB THR 21 -5.798 -6.228 2.869
148 HG1 THR 21 HG1 THR 21 -5.643 -5.730 4.928
149 HG21 THR 21 3HG2 THR 21 -6.065 -8.564 3.416
150 HG22 THR 21 1HG2 THR 21 -4.331 -8.740 3.678
151 HG23 THR 21 2HG2 THR 21 -4.950 -8.420 2.058
152 H CYS 22 H CYS 22 -2.386 -4.823 4.520
153 HA CYS 22 HA CYS 22 -0.112 -6.493 4.823
154 HB2 CYS 22 1HB CYS 22 -1.129 -4.327 6.675
155 HB3 CYS 22 2HB CYS 22 0.496 -5.005 6.664
156 H SER 23 H SER 23 0.542 -7.668 6.705
157 HA SER 23 HA SER 23 -1.460 -9.393 7.705
158 HB2 SER 23 1HB SER 23 1.436 -9.135 7.907
159 HB3 SER 23 2HB SER 23 0.710 -9.684 9.417
160 HG SER 23 HG SER 23 1.286 -11.224 7.511
161 H THR 24 H THR 24 -0.174 -6.389 8.823
162 HA THR 24 HA THR 24 -1.185 -6.721 11.523
163 HB THR 24 HB THR 24 0.929 -5.458 11.043
164 HG1 THR 24 HG1 THR 24 -0.863 -3.646 12.229
165 HG21 THR 24 3HG2 THR 24 -0.325 -2.943 10.444
166 HG22 THR 24 1HG2 THR 24 -0.706 -4.120 9.189
167 HG23 THR 24 2HG2 THR 24 0.976 -3.771 9.588
168 H GLN 25 H GLN 25 -2.458 -4.747 12.400
169 HA GLN 25 HA GLN 25 -4.662 -4.203 10.523
170 HB2 GLN 25 1HB GLN 25 -5.040 -5.636 12.651
171 HB3 GLN 25 2HB GLN 25 -4.949 -4.105 13.510
172 HG2 GLN 25 1HG GLN 25 -6.722 -3.486 11.566
173 HG3 GLN 25 2HG GLN 25 -7.073 -5.196 11.807
174 HE21 GLN 25 2HE2 GLN 25 -6.639 -5.497 14.477
175 HE22 GLN 25 1HE2 GLN 25 -7.779 -4.555 15.371
176 H GLY 26 H GLY 26 -2.426 -2.551 10.501
177 HA2 GLY 26 1HA GLY 26 -3.661 -0.020 11.100
178 HA3 GLY 26 2HA GLY 26 -2.276 -0.370 12.124
179 H CYS 27 H CYS 27 -2.333 -1.577 8.878
180 HA CYS 27 HA CYS 27 -0.478 0.557 8.053
181 HB2 CYS 27 1HB CYS 27 -0.177 -2.419 7.852
182 HB3 CYS 27 2HB CYS 27 0.582 -1.382 6.649
183 H THR 28 H THR 28 -0.066 0.150 5.513
184 HA THR 28 HA THR 28 -2.505 -0.563 4.116
185 HB THR 28 HB THR 28 -1.663 2.063 3.200
186 HG1 THR 28 HG1 THR 28 -1.961 3.208 4.988
187 HG21 THR 28 3HG2 THR 28 -4.349 1.331 4.318
188 HG22 THR 28 1HG2 THR 28 -3.811 0.689 2.767
189 HG23 THR 28 2HG2 THR 28 -3.958 2.431 2.996
190 H CYS 29 H CYS 29 -1.737 -1.834 2.564
191 HA CYS 29 HA CYS 29 0.843 -1.977 1.613
192 HB2 CYS 29 1HB CYS 29 -1.692 -2.610 0.087
193 HB3 CYS 29 2HB CYS 29 -0.081 -3.190 -0.320
Start of MODEL 14
1 H1 SER 1 H SER 1 1.854 0.015 0.879
2 HA SER 1 HA SER 1 1.543 0.465 -1.984
3 HB2 SER 1 1HB SER 1 3.232 1.712 -0.534
4 HB3 SER 1 2HB SER 1 4.143 0.204 -0.473
5 HG SER 1 HG SER 1 3.920 2.024 -2.492
6 H TRP 2 H TRP 2 0.507 -1.845 -1.803
7 HA TRP 2 HA TRP 2 1.892 -4.169 -1.455
8 HB2 TRP 2 1HB TRP 2 -0.478 -4.136 -2.018
9 HB3 TRP 2 2HB TRP 2 -0.108 -3.552 -3.639
10 HD1 TRP 2 HD1 TRP 2 -0.473 -6.704 -1.647
11 HE1 TRP 2 HE1 TRP 2 0.019 -8.741 -3.142
12 HE3 TRP 2 HE3 TRP 2 1.496 -4.282 -5.697
13 HZ2 TRP 2 HZ2 TRP 2 1.100 -9.253 -5.699
14 HZ3 TRP 2 HZ3 TRP 2 2.235 -5.619 -7.626
15 HH2 TRP 2 HH2 TRP 2 2.041 -8.053 -7.625
16 HA PRO 3 HA PRO 3 2.434 -6.146 -2.099
17 HB2 PRO 3 1HB PRO 3 4.910 -7.196 -1.728
18 HB3 PRO 3 2HB PRO 3 3.897 -7.592 -3.121
19 HG2 PRO 3 1HG PRO 3 6.164 -5.648 -2.921
20 HG3 PRO 3 2HG PRO 3 5.795 -6.807 -4.211
21 HD2 PRO 3 1HD PRO 3 5.192 -4.174 -4.402
22 HD3 PRO 3 2HD PRO 3 4.200 -5.438 -5.157
23 H ILE 4 H ILE 4 5.313 -4.094 -1.734
24 HA ILE 4 HA ILE 4 5.867 -4.361 0.922
25 HB ILE 4 HB ILE 4 5.801 -1.687 -0.474
26 HG12 ILE 4 1HG1 ILE 4 6.974 -3.188 -1.930
27 HG13 ILE 4 2HG1 ILE 4 8.184 -2.236 -1.076
28 HG21 ILE 4 1HG2 ILE 4 7.293 -2.775 1.893
29 HG22 ILE 4 2HG2 ILE 4 7.839 -1.347 1.016
30 HG23 ILE 4 3HG2 ILE 4 6.261 -1.349 1.803
31 HD11 ILE 4 3HD1 ILE 4 8.417 -4.155 0.519
32 HD12 ILE 4 1HD1 ILE 4 7.402 -5.091 -0.577
33 HD13 ILE 4 2HD1 ILE 4 8.956 -4.467 -1.131
34 H CYS 5 H CYS 5 5.317 -3.092 2.804
35 HA CYS 5 HA CYS 5 2.535 -2.117 2.745
36 HB2 CYS 5 1HB CYS 5 3.910 -4.002 4.552
37 HB3 CYS 5 2HB CYS 5 2.910 -2.795 5.354
38 H LYS 6 H LYS 6 2.030 -0.279 3.919
39 HA LYS 6 HA LYS 6 4.046 1.052 5.505
40 HB2 LYS 6 1HB LYS 6 3.300 1.959 2.763
41 HB3 LYS 6 2HB LYS 6 3.569 3.183 3.996
42 HG2 LYS 6 1HG LYS 6 5.726 3.061 3.505
43 HG3 LYS 6 2HG LYS 6 5.731 1.461 4.250
44 HD2 LYS 6 1HD LYS 6 5.352 0.400 2.146
45 HD3 LYS 6 2HD LYS 6 5.040 1.948 1.357
46 HE2 LYS 6 1HE LYS 6 7.671 1.389 2.681
47 HE3 LYS 6 2HE LYS 6 7.346 0.829 1.041
48 HZ1 LYS 6 3HZ LYS 6 7.765 3.534 2.030
49 HZ2 LYS 6 1HZ LYS 6 6.594 3.354 0.822
50 HZ3 LYS 6 2HZ LYS 6 8.183 2.848 0.541
51 H ARG 7 H ARG 7 3.145 2.291 7.052
52 HA ARG 7 HA ARG 7 0.266 2.346 7.236
53 HB2 ARG 7 1HB ARG 7 1.389 1.877 9.269
54 HB3 ARG 7 2HB ARG 7 2.487 3.236 9.064
55 HG2 ARG 7 1HG ARG 7 0.842 3.695 10.787
56 HG3 ARG 7 2HG ARG 7 0.640 4.790 9.418
57 HD2 ARG 7 1HD ARG 7 -1.309 3.752 8.712
58 HD3 ARG 7 2HD ARG 7 -0.932 2.251 9.556
59 HE ARG 7 HE ARG 7 -1.243 3.980 11.585
60 HH11 ARG 7 1HH1 ARG 7 -3.191 3.291 8.784
61 HH12 ARG 7 2HH1 ARG 7 -4.687 3.683 9.565
62 HH21 ARG 7 1HH2 ARG 7 -3.206 4.500 12.626
63 HH22 ARG 7 2HH2 ARG 7 -4.694 4.371 11.750
64 H ASN 8 H ASN 8 2.602 4.960 7.856
65 HA ASN 8 HA ASN 8 0.669 6.872 6.786
66 HB2 ASN 8 1HB ASN 8 2.960 7.013 8.671
67 HB3 ASN 8 2HB ASN 8 2.651 8.445 7.693
68 HD21 ASN 8 2HD2 ASN 8 1.398 6.318 10.143
69 HD22 ASN 8 1HD2 ASN 8 0.138 7.366 10.692
70 H GLY 9 H GLY 9 2.397 5.038 5.139
71 HA2 GLY 9 1HA GLY 9 3.134 5.358 2.940
72 HA3 GLY 9 2HA GLY 9 3.264 7.081 3.257
73 H LEU 10 H LEU 10 4.685 4.961 5.559
74 HA LEU 10 HA LEU 10 7.338 5.350 4.353
75 HB2 LEU 10 1HB LEU 10 6.704 5.695 7.278
76 HB3 LEU 10 2HB LEU 10 8.276 5.903 6.509
77 HG LEU 10 HG LEU 10 6.133 7.628 5.462
78 HD11 LEU 10 1HD1 LEU 10 5.708 8.893 7.287
79 HD12 LEU 10 2HD1 LEU 10 7.276 8.563 8.022
80 HD13 LEU 10 3HD1 LEU 10 5.989 7.362 8.116
81 HD21 LEU 10 3HD2 LEU 10 8.442 8.999 6.391
82 HD22 LEU 10 1HD2 LEU 10 7.936 8.689 4.730
83 HD23 LEU 10 2HD2 LEU 10 8.964 7.527 5.569
84 HA PRO 11 HA PRO 11 8.043 1.102 5.214
85 HB2 PRO 11 1HB PRO 11 10.726 1.098 5.626
86 HB3 PRO 11 2HB PRO 11 10.000 1.314 4.029
87 HG2 PRO 11 1HG PRO 11 11.073 3.375 5.917
88 HG3 PRO 11 2HG PRO 11 11.278 3.253 4.160
89 HD2 PRO 11 1HD PRO 11 9.492 4.935 5.306
90 HD3 PRO 11 2HD PRO 11 9.207 4.170 3.729
91 H VAL 12 H VAL 12 6.801 1.499 7.305
92 HA VAL 12 HA VAL 12 8.600 1.176 9.619
93 HB VAL 12 HB VAL 12 6.872 2.085 11.042
94 HG11 VAL 12 1HG1 VAL 12 7.405 3.792 8.615
95 HG12 VAL 12 2HG1 VAL 12 6.752 4.397 10.139
96 HG13 VAL 12 3HG1 VAL 12 8.372 3.701 10.086
97 HG21 VAL 12 3HG2 VAL 12 5.231 1.922 8.557
98 HG22 VAL 12 1HG2 VAL 12 4.819 1.471 10.211
99 HG23 VAL 12 2HG2 VAL 12 4.868 3.172 9.746
100 H CYS 13 H CYS 13 5.991 -0.149 7.786
101 HA CYS 13 HA CYS 13 5.085 -2.007 9.762
102 HB2 CYS 13 1HB CYS 13 4.730 -2.283 6.780
103 HB3 CYS 13 2HB CYS 13 3.693 -2.907 8.059
104 H GLY 14 H GLY 14 7.477 -2.049 7.196
105 HA2 GLY 14 1HA GLY 14 9.043 -3.614 6.582
106 HA3 GLY 14 2HA GLY 14 9.046 -4.050 8.284
107 H GLU 15 H GLU 15 6.564 -4.396 5.757
108 HA GLU 15 HA GLU 15 6.839 -7.290 5.848
109 HB2 GLU 15 1HB GLU 15 4.231 -7.354 6.119
110 HB3 GLU 15 2HB GLU 15 5.269 -7.260 7.534
111 HG2 GLU 15 1HG GLU 15 4.628 -5.152 8.043
112 HG3 GLU 15 2HG GLU 15 4.387 -4.698 6.356
113 H THR 16 H THR 16 5.478 -8.365 4.208
114 HA THR 16 HA THR 16 4.796 -6.570 1.974
115 HB THR 16 HB THR 16 5.588 -8.414 0.436
116 HG1 THR 16 HG1 THR 16 6.452 -10.151 1.288
117 HG21 THR 16 3HG2 THR 16 7.643 -7.443 0.252
118 HG22 THR 16 1HG2 THR 16 7.965 -7.537 1.983
119 HG23 THR 16 2HG2 THR 16 6.902 -6.280 1.351
120 H CYS 17 H CYS 17 2.672 -6.693 1.680
121 HA CYS 17 HA CYS 17 1.200 -9.087 2.383
122 HB2 CYS 17 1HB CYS 17 -0.794 -7.743 1.781
123 HB3 CYS 17 2HB CYS 17 0.231 -6.939 2.965
124 H THR 18 H THR 18 0.271 -10.511 1.004
125 HA THR 18 HA THR 18 0.698 -10.061 -1.878
126 HB THR 18 HB THR 18 0.672 -12.683 -1.912
127 HG1 THR 18 HG1 THR 18 0.654 -13.505 0.032
128 HG21 THR 18 3HG2 THR 18 2.601 -10.883 -2.252
129 HG22 THR 18 1HG2 THR 18 2.935 -12.613 -2.215
130 HG23 THR 18 2HG2 THR 18 3.208 -11.632 -0.775
131 H LEU 19 H LEU 19 -1.654 -9.612 -0.020
132 HA LEU 19 HA LEU 19 -3.617 -10.982 -1.708
133 HB2 LEU 19 1HB LEU 19 -4.874 -10.911 0.733
134 HB3 LEU 19 2HB LEU 19 -4.171 -12.335 -0.033
135 HG LEU 19 HG LEU 19 -2.060 -11.878 1.214
136 HD11 LEU 19 1HD1 LEU 19 -3.129 -9.400 1.645
137 HD12 LEU 19 2HD1 LEU 19 -1.767 -10.092 2.526
138 HD13 LEU 19 3HD1 LEU 19 -3.395 -10.199 3.196
139 HD21 LEU 19 3HD2 LEU 19 -3.352 -13.568 2.147
140 HD22 LEU 19 1HD2 LEU 19 -4.644 -12.461 2.611
141 HD23 LEU 19 2HD2 LEU 19 -3.118 -12.456 3.496
142 H GLY 20 H GLY 20 -2.454 -8.183 -1.203
143 HA2 GLY 20 1HA GLY 20 -3.272 -6.047 -1.445
144 HA3 GLY 20 2HA GLY 20 -4.853 -6.759 -1.731
145 H THR 21 H THR 21 -2.820 -7.048 1.151
146 HA THR 21 HA THR 21 -4.088 -5.100 2.712
147 HB THR 21 HB THR 21 -6.112 -6.397 2.536
148 HG1 THR 21 HG1 THR 21 -6.294 -5.848 4.569
149 HG21 THR 21 3HG2 THR 21 -4.905 -8.557 1.999
150 HG22 THR 21 1HG2 THR 21 -6.293 -8.701 3.076
151 HG23 THR 21 2HG2 THR 21 -4.657 -8.747 3.734
152 H CYS 22 H CYS 22 -2.576 -4.678 4.169
153 HA CYS 22 HA CYS 22 -0.367 -6.232 4.736
154 HB2 CYS 22 1HB CYS 22 -1.726 -4.085 6.363
155 HB3 CYS 22 2HB CYS 22 -0.200 -4.818 6.848
156 H SER 23 H SER 23 0.229 -7.070 6.973
157 HA SER 23 HA SER 23 -2.013 -8.656 8.044
158 HB2 SER 23 1HB SER 23 0.065 -9.738 6.744
159 HB3 SER 23 2HB SER 23 0.772 -9.655 8.358
160 HG SER 23 HG SER 23 -1.215 -11.280 7.389
161 H THR 24 H THR 24 -0.968 -6.020 8.896
162 HA THR 24 HA THR 24 -0.178 -6.743 11.643
163 HB THR 24 HB THR 24 1.603 -5.533 10.363
164 HG1 THR 24 HG1 THR 24 1.418 -5.379 12.674
165 HG21 THR 24 3HG2 THR 24 -0.469 -3.963 9.463
166 HG22 THR 24 1HG2 THR 24 1.246 -3.581 9.315
167 HG23 THR 24 2HG2 THR 24 0.311 -2.931 10.662
168 H GLN 25 H GLN 25 -2.701 -5.728 9.864
169 HA GLN 25 HA GLN 25 -4.616 -4.555 10.249
170 HB2 GLN 25 1HB GLN 25 -4.032 -4.943 13.178
171 HB3 GLN 25 2HB GLN 25 -5.599 -4.845 12.386
172 HG2 GLN 25 1HG GLN 25 -4.860 -6.986 11.157
173 HG3 GLN 25 2HG GLN 25 -3.651 -7.111 12.434
174 HE21 GLN 25 2HE2 GLN 25 -6.336 -8.468 11.599
175 HE22 GLN 25 1HE2 GLN 25 -7.133 -8.676 13.118
176 H GLY 26 H GLY 26 -3.903 -2.538 9.499
177 HA2 GLY 26 1HA GLY 26 -4.366 -0.271 10.688
178 HA3 GLY 26 2HA GLY 26 -2.867 -0.669 11.514
179 H CYS 27 H CYS 27 -1.614 -1.883 9.206
180 HA CYS 27 HA CYS 27 -0.620 0.526 7.983
181 HB2 CYS 27 1HB CYS 27 0.113 -2.379 7.860
182 HB3 CYS 27 2HB CYS 27 0.752 -1.265 6.655
183 H THR 28 H THR 28 -0.250 0.533 5.556
184 HA THR 28 HA THR 28 -2.543 -0.607 4.113
185 HB THR 28 HB THR 28 -1.816 1.977 3.036
186 HG1 THR 28 HG1 THR 28 -2.032 3.223 4.753
187 HG21 THR 28 3HG2 THR 28 -3.879 0.780 2.508
188 HG22 THR 28 1HG2 THR 28 -4.236 2.353 3.219
189 HG23 THR 28 2HG2 THR 28 -4.387 0.890 4.193
190 H CYS 29 H CYS 29 -1.778 -1.864 2.556
191 HA CYS 29 HA CYS 29 0.827 -2.041 1.678
192 HB2 CYS 29 1HB CYS 29 -1.677 -2.674 0.101
193 HB3 CYS 29 2HB CYS 29 -0.060 -3.262 -0.272
Start of MODEL 15
1 H1 SER 1 H SER 1 1.442 0.014 0.752
2 HA SER 1 HA SER 1 1.309 0.418 -2.119
3 HB2 SER 1 1HB SER 1 2.844 1.719 -0.564
4 HB3 SER 1 2HB SER 1 3.802 0.245 -0.421
5 HG SER 1 HG SER 1 4.671 1.454 -2.069
6 H TRP 2 H TRP 2 0.353 -1.980 -1.886
7 HA TRP 2 HA TRP 2 1.889 -4.210 -1.538
8 HB2 TRP 2 1HB TRP 2 -0.487 -4.330 -2.070
9 HB3 TRP 2 2HB TRP 2 -0.175 -3.738 -3.699
10 HD1 TRP 2 HD1 TRP 2 -0.310 -6.889 -1.677
11 HE1 TRP 2 HE1 TRP 2 0.289 -8.904 -3.163
12 HE3 TRP 2 HE3 TRP 2 1.440 -4.383 -5.775
13 HZ2 TRP 2 HZ2 TRP 2 1.362 -9.369 -5.732
14 HZ3 TRP 2 HZ3 TRP 2 2.235 -5.687 -7.704
15 HH2 TRP 2 HH2 TRP 2 2.196 -8.128 -7.681
16 HA PRO 3 HA PRO 3 2.545 -6.153 -2.181
17 HB2 PRO 3 1HB PRO 3 5.087 -7.043 -1.840
18 HB3 PRO 3 2HB PRO 3 4.082 -7.511 -3.217
19 HG2 PRO 3 1HG PRO 3 6.225 -5.426 -3.057
20 HG3 PRO 3 2HG PRO 3 5.912 -6.613 -4.336
21 HD2 PRO 3 1HD PRO 3 5.142 -4.025 -4.530
22 HD3 PRO 3 2HD PRO 3 4.222 -5.353 -5.266
23 H ILE 4 H ILE 4 5.320 -3.953 -1.859
24 HA ILE 4 HA ILE 4 5.916 -4.161 0.788
25 HB ILE 4 HB ILE 4 5.666 -1.500 -0.612
26 HG12 ILE 4 1HG1 ILE 4 6.901 -2.923 -2.091
27 HG13 ILE 4 2HG1 ILE 4 8.070 -1.909 -1.253
28 HG21 ILE 4 1HG2 ILE 4 7.699 -1.027 0.840
29 HG22 ILE 4 2HG2 ILE 4 6.143 -1.142 1.661
30 HG23 ILE 4 3HG2 ILE 4 7.274 -2.494 1.723
31 HD11 ILE 4 3HD1 ILE 4 8.056 -4.029 0.384
32 HD12 ILE 4 1HD1 ILE 4 7.659 -4.820 -1.141
33 HD13 ILE 4 2HD1 ILE 4 9.138 -3.869 -0.999
34 H CYS 5 H CYS 5 5.314 -2.924 2.674
35 HA CYS 5 HA CYS 5 2.507 -2.028 2.634
36 HB2 CYS 5 1HB CYS 5 3.812 -4.073 4.274
37 HB3 CYS 5 2HB CYS 5 2.933 -2.878 5.223
38 H LYS 6 H LYS 6 2.096 -0.097 3.529
39 HA LYS 6 HA LYS 6 4.029 1.092 5.368
40 HB2 LYS 6 1HB LYS 6 3.439 2.040 2.623
41 HB3 LYS 6 2HB LYS 6 3.506 3.275 3.874
42 HG2 LYS 6 1HG LYS 6 5.703 3.303 3.598
43 HG3 LYS 6 2HG LYS 6 5.747 1.696 4.328
44 HD2 LYS 6 1HD LYS 6 5.491 0.683 2.116
45 HD3 LYS 6 2HD LYS 6 5.431 2.288 1.384
46 HE2 LYS 6 1HE LYS 6 7.759 1.735 3.110
47 HE3 LYS 6 2HE LYS 6 7.680 0.819 1.606
48 HZ1 LYS 6 3HZ LYS 6 8.064 2.642 0.377
49 HZ2 LYS 6 1HZ LYS 6 8.725 3.263 1.805
50 HZ3 LYS 6 2HZ LYS 6 7.140 3.657 1.366
51 H ARG 7 H ARG 7 3.076 2.200 6.969
52 HA ARG 7 HA ARG 7 0.202 2.287 7.074
53 HB2 ARG 7 1HB ARG 7 1.325 1.726 9.102
54 HB3 ARG 7 2HB ARG 7 2.363 3.141 8.996
55 HG2 ARG 7 1HG ARG 7 0.862 4.458 9.990
56 HG3 ARG 7 2HG ARG 7 -0.479 3.789 9.058
57 HD2 ARG 7 1HD ARG 7 -1.092 2.472 10.745
58 HD3 ARG 7 2HD ARG 7 0.549 1.858 10.941
59 HE ARG 7 HE ARG 7 -0.739 3.811 12.552
60 HH11 ARG 7 1HH1 ARG 7 2.351 2.912 11.225
61 HH12 ARG 7 2HH1 ARG 7 3.261 3.674 12.487
62 HH21 ARG 7 1HH2 ARG 7 0.448 4.818 14.219
63 HH22 ARG 7 2HH2 ARG 7 2.178 4.757 14.190
64 H ASN 8 H ASN 8 2.518 4.870 7.874
65 HA ASN 8 HA ASN 8 0.619 6.826 6.825
66 HB2 ASN 8 1HB ASN 8 2.834 6.878 8.797
67 HB3 ASN 8 2HB ASN 8 2.587 8.349 7.861
68 HD21 ASN 8 2HD2 ASN 8 0.248 5.982 9.051
69 HD22 ASN 8 1HD2 ASN 8 -0.651 7.095 10.019
70 H GLY 9 H GLY 9 2.395 5.066 5.154
71 HA2 GLY 9 1HA GLY 9 3.189 5.494 2.989
72 HA3 GLY 9 2HA GLY 9 3.341 7.195 3.405
73 H LEU 10 H LEU 10 4.657 5.024 5.687
74 HA LEU 10 HA LEU 10 7.348 5.349 4.544
75 HB2 LEU 10 1HB LEU 10 6.678 5.653 7.465
76 HB3 LEU 10 2HB LEU 10 8.251 5.883 6.705
77 HG LEU 10 HG LEU 10 6.148 7.627 5.648
78 HD11 LEU 10 1HD1 LEU 10 5.621 8.845 7.486
79 HD12 LEU 10 2HD1 LEU 10 7.135 8.468 8.309
80 HD13 LEU 10 3HD1 LEU 10 5.834 7.278 8.269
81 HD21 LEU 10 3HD2 LEU 10 8.943 7.537 5.821
82 HD22 LEU 10 1HD2 LEU 10 8.441 8.917 6.798
83 HD23 LEU 10 2HD2 LEU 10 7.948 8.808 5.108
84 HA PRO 11 HA PRO 11 7.923 1.075 5.371
85 HB2 PRO 11 1HB PRO 11 10.596 0.997 5.841
86 HB3 PRO 11 2HB PRO 11 9.911 1.249 4.231
87 HG2 PRO 11 1HG PRO 11 10.994 3.261 6.165
88 HG3 PRO 11 2HG PRO 11 11.234 3.153 4.411
89 HD2 PRO 11 1HD PRO 11 9.467 4.868 5.537
90 HD3 PRO 11 2HD PRO 11 9.197 4.127 3.946
91 H VAL 12 H VAL 12 6.647 1.436 7.431
92 HA VAL 12 HA VAL 12 8.386 0.952 9.762
93 HB VAL 12 HB VAL 12 6.778 2.046 11.198
94 HG11 VAL 12 1HG1 VAL 12 7.041 4.347 10.450
95 HG12 VAL 12 2HG1 VAL 12 8.518 3.427 10.160
96 HG13 VAL 12 3HG1 VAL 12 7.425 3.789 8.823
97 HG21 VAL 12 3HG2 VAL 12 4.739 1.481 9.995
98 HG22 VAL 12 1HG2 VAL 12 4.826 3.219 10.283
99 HG23 VAL 12 2HG2 VAL 12 5.192 2.571 8.684
100 H CYS 13 H CYS 13 6.919 -0.827 7.787
101 HA CYS 13 HA CYS 13 5.453 -2.405 9.796
102 HB2 CYS 13 1HB CYS 13 4.789 -2.429 6.856
103 HB3 CYS 13 2HB CYS 13 3.834 -3.060 8.193
104 H GLY 14 H GLY 14 7.416 -2.450 6.857
105 HA2 GLY 14 1HA GLY 14 8.760 -4.076 5.945
106 HA3 GLY 14 2HA GLY 14 9.077 -4.522 7.615
107 H GLU 15 H GLU 15 5.943 -4.708 6.025
108 HA GLU 15 HA GLU 15 6.165 -7.638 5.989
109 HB2 GLU 15 1HB GLU 15 3.750 -7.694 6.766
110 HB3 GLU 15 2HB GLU 15 4.944 -7.247 7.976
111 HG2 GLU 15 1HG GLU 15 4.393 -4.851 7.502
112 HG3 GLU 15 2HG GLU 15 3.060 -5.427 6.503
113 H THR 16 H THR 16 6.521 -7.299 3.705
114 HA THR 16 HA THR 16 4.774 -5.992 1.972
115 HB THR 16 HB THR 16 5.701 -7.390 0.185
116 HG1 THR 16 HG1 THR 16 5.846 -9.395 1.152
117 HG21 THR 16 3HG2 THR 16 8.105 -6.972 1.847
118 HG22 THR 16 1HG2 THR 16 7.051 -5.572 1.650
119 HG23 THR 16 2HG2 THR 16 7.725 -6.375 0.232
120 H CYS 17 H CYS 17 2.656 -6.323 1.815
121 HA CYS 17 HA CYS 17 1.426 -8.824 2.470
122 HB2 CYS 17 1HB CYS 17 -0.672 -7.698 1.765
123 HB3 CYS 17 2HB CYS 17 0.249 -6.756 2.934
124 H THR 18 H THR 18 0.526 -10.342 1.136
125 HA THR 18 HA THR 18 1.020 -10.019 -1.753
126 HB THR 18 HB THR 18 1.203 -12.618 -1.685
127 HG1 THR 18 HG1 THR 18 1.827 -13.465 0.249
128 HG21 THR 18 3HG2 THR 18 3.684 -12.366 -1.036
129 HG22 THR 18 1HG2 THR 18 3.312 -10.653 -0.845
130 HG23 THR 18 2HG2 THR 18 3.086 -11.436 -2.410
131 H LEU 19 H LEU 19 -1.390 -9.723 0.124
132 HA LEU 19 HA LEU 19 -3.222 -11.265 -1.567
133 HB2 LEU 19 1HB LEU 19 -4.509 -11.222 0.861
134 HB3 LEU 19 2HB LEU 19 -3.700 -12.610 0.137
135 HG LEU 19 HG LEU 19 -1.636 -11.968 1.386
136 HD11 LEU 19 1HD1 LEU 19 -1.483 -10.065 2.517
137 HD12 LEU 19 2HD1 LEU 19 -2.978 -10.397 3.391
138 HD13 LEU 19 3HD1 LEU 19 -3.034 -9.593 1.822
139 HD21 LEU 19 3HD2 LEU 19 -3.230 -13.691 2.180
140 HD22 LEU 19 1HD2 LEU 19 -4.050 -12.450 3.127
141 HD23 LEU 19 2HD2 LEU 19 -2.376 -12.874 3.490
142 H GLY 20 H GLY 20 -2.281 -8.371 -1.117
143 HA2 GLY 20 1HA GLY 20 -3.280 -6.328 -1.494
144 HA3 GLY 20 2HA GLY 20 -4.815 -7.168 -1.658
145 H THR 21 H THR 21 -2.660 -7.200 1.140
146 HA THR 21 HA THR 21 -3.948 -5.234 2.660
147 HB THR 21 HB THR 21 -5.926 -6.606 2.626
148 HG1 THR 21 HG1 THR 21 -5.274 -5.629 4.662
149 HG21 THR 21 3HG2 THR 21 -4.208 -8.840 3.712
150 HG22 THR 21 1HG2 THR 21 -4.846 -8.747 2.071
151 HG23 THR 21 2HG2 THR 21 -5.949 -8.903 3.439
152 H CYS 22 H CYS 22 -2.681 -4.765 4.351
153 HA CYS 22 HA CYS 22 -0.291 -6.185 4.814
154 HB2 CYS 22 1HB CYS 22 -1.687 -4.031 6.407
155 HB3 CYS 22 2HB CYS 22 -0.098 -4.664 6.826
156 H SER 23 H SER 23 0.363 -7.508 6.491
157 HA SER 23 HA SER 23 -1.575 -9.264 7.555
158 HB2 SER 23 1HB SER 23 1.271 -9.134 7.409
159 HB3 SER 23 2HB SER 23 0.824 -9.442 9.087
160 HG SER 23 HG SER 23 0.914 -11.411 8.114
161 H THR 24 H THR 24 -0.213 -6.304 8.701
162 HA THR 24 HA THR 24 -1.094 -6.742 11.439
163 HB THR 24 HB THR 24 1.043 -5.533 10.934
164 HG1 THR 24 HG1 THR 24 0.709 -4.617 12.808
165 HG21 THR 24 3HG2 THR 24 1.099 -3.791 9.546
166 HG22 THR 24 1HG2 THR 24 -0.130 -2.949 10.489
167 HG23 THR 24 2HG2 THR 24 -0.610 -4.057 9.203
168 H GLN 25 H GLN 25 -2.204 -4.681 12.431
169 HA GLN 25 HA GLN 25 -4.509 -4.050 10.709
170 HB2 GLN 25 1HB GLN 25 -4.386 -4.233 13.724
171 HB3 GLN 25 2HB GLN 25 -5.812 -3.807 12.787
172 HG2 GLN 25 1HG GLN 25 -5.236 -6.142 11.633
173 HG3 GLN 25 2HG GLN 25 -4.543 -6.435 13.228
174 HE21 GLN 25 2HE2 GLN 25 -7.471 -4.971 11.848
175 HE22 GLN 25 1HE2 GLN 25 -8.572 -5.737 12.936
176 H GLY 26 H GLY 26 -3.104 -2.269 9.915
177 HA2 GLY 26 1HA GLY 26 -3.900 0.202 10.834
178 HA3 GLY 26 2HA GLY 26 -2.395 -0.133 11.677
179 H CYS 27 H CYS 27 -1.369 -1.686 9.357
180 HA CYS 27 HA CYS 27 -0.207 0.549 7.958
181 HB2 CYS 27 1HB CYS 27 0.196 -2.436 7.806
182 HB3 CYS 27 2HB CYS 27 1.007 -1.323 6.709
183 H THR 28 H THR 28 -0.012 0.481 5.542
184 HA THR 28 HA THR 28 -2.461 -0.535 4.268
185 HB THR 28 HB THR 28 -3.005 1.465 3.266
186 HG1 THR 28 HG1 THR 28 -0.554 2.733 3.828
187 HG21 THR 28 3HG2 THR 28 -3.168 3.097 4.934
188 HG22 THR 28 1HG2 THR 28 -1.618 2.654 5.649
189 HG23 THR 28 2HG2 THR 28 -3.012 1.591 5.839
190 H CYS 29 H CYS 29 -2.138 -1.568 2.396
191 HA CYS 29 HA CYS 29 0.485 -2.106 1.476
192 HB2 CYS 29 1HB CYS 29 -2.240 -2.666 0.304
193 HB3 CYS 29 2HB CYS 29 -0.747 -3.188 -0.470
Start of MODEL 16
1 H1 SER 1 H SER 1 1.427 0.072 0.854
2 HA SER 1 HA SER 1 1.336 0.514 -2.009
3 HB2 SER 1 1HB SER 1 2.850 1.755 -0.333
4 HB3 SER 1 2HB SER 1 3.843 0.298 -0.351
5 HG SER 1 HG SER 1 3.387 2.176 -2.369
6 H TRP 2 H TRP 2 0.395 -1.906 -1.797
7 HA TRP 2 HA TRP 2 1.945 -4.125 -1.477
8 HB2 TRP 2 1HB TRP 2 -0.424 -4.255 -2.037
9 HB3 TRP 2 2HB TRP 2 -0.099 -3.637 -3.654
10 HD1 TRP 2 HD1 TRP 2 -0.229 -6.818 -1.677
11 HE1 TRP 2 HE1 TRP 2 0.402 -8.807 -3.184
12 HE3 TRP 2 HE3 TRP 2 1.542 -4.241 -5.721
13 HZ2 TRP 2 HZ2 TRP 2 1.505 -9.227 -5.748
14 HZ3 TRP 2 HZ3 TRP 2 2.367 -5.511 -7.660
15 HH2 TRP 2 HH2 TRP 2 2.349 -7.953 -7.671
16 HA PRO 3 HA PRO 3 2.622 -6.054 -2.145
17 HB2 PRO 3 1HB PRO 3 5.166 -6.930 -1.791
18 HB3 PRO 3 2HB PRO 3 4.180 -7.383 -3.186
19 HG2 PRO 3 1HG PRO 3 6.306 -5.286 -2.969
20 HG3 PRO 3 2HG PRO 3 6.015 -6.455 -4.271
21 HD2 PRO 3 1HD PRO 3 5.228 -3.869 -4.432
22 HD3 PRO 3 2HD PRO 3 4.325 -5.191 -5.199
23 H ILE 4 H ILE 4 5.428 -3.897 -1.744
24 HA ILE 4 HA ILE 4 5.954 -4.134 0.912
25 HB ILE 4 HB ILE 4 5.787 -1.458 -0.470
26 HG12 ILE 4 1HG1 ILE 4 7.031 -2.892 -1.930
27 HG13 ILE 4 2HG1 ILE 4 8.198 -1.906 -1.055
28 HG21 ILE 4 1HG2 ILE 4 7.321 -2.499 1.893
29 HG22 ILE 4 2HG2 ILE 4 7.791 -1.033 1.035
30 HG23 ILE 4 3HG2 ILE 4 6.214 -1.128 1.819
31 HD11 ILE 4 3HD1 ILE 4 7.611 -4.816 -0.806
32 HD12 ILE 4 1HD1 ILE 4 9.160 -3.988 -0.968
33 HD13 ILE 4 2HD1 ILE 4 8.287 -3.935 0.564
34 H CYS 5 H CYS 5 5.330 -2.912 2.797
35 HA CYS 5 HA CYS 5 2.538 -1.972 2.704
36 HB2 CYS 5 1HB CYS 5 3.811 -4.008 4.397
37 HB3 CYS 5 2HB CYS 5 2.868 -2.819 5.292
38 H LYS 6 H LYS 6 2.060 -0.110 3.762
39 HA LYS 6 HA LYS 6 4.037 1.091 5.537
40 HB2 LYS 6 1HB LYS 6 3.074 2.354 2.972
41 HB3 LYS 6 2HB LYS 6 3.797 3.282 4.279
42 HG2 LYS 6 1HG LYS 6 5.704 2.926 3.167
43 HG3 LYS 6 2HG LYS 6 5.656 1.341 3.942
44 HD2 LYS 6 1HD LYS 6 4.838 0.296 2.021
45 HD3 LYS 6 2HD LYS 6 4.298 1.819 1.310
46 HE2 LYS 6 1HE LYS 6 7.191 1.131 1.793
47 HE3 LYS 6 2HE LYS 6 6.356 0.820 0.272
48 HZ1 LYS 6 3HZ LYS 6 5.771 3.343 0.494
49 HZ2 LYS 6 1HZ LYS 6 7.261 2.856 -0.143
50 HZ3 LYS 6 2HZ LYS 6 7.157 3.375 1.464
51 H ARG 7 H ARG 7 3.134 2.234 7.158
52 HA ARG 7 HA ARG 7 0.249 2.254 7.344
53 HB2 ARG 7 1HB ARG 7 1.512 1.614 9.306
54 HB3 ARG 7 2HB ARG 7 2.405 3.128 9.271
55 HG2 ARG 7 1HG ARG 7 0.900 3.986 10.646
56 HG3 ARG 7 2HG ARG 7 -0.302 3.840 9.363
57 HD2 ARG 7 1HD ARG 7 -1.127 2.739 11.335
58 HD3 ARG 7 2HD ARG 7 -0.754 1.523 10.114
59 HE ARG 7 HE ARG 7 1.512 1.602 11.559
60 HH11 ARG 7 1HH1 ARG 7 -1.839 1.317 12.461
61 HH12 ARG 7 2HH1 ARG 7 -1.512 0.382 13.882
62 HH21 ARG 7 1HH2 ARG 7 1.955 0.372 13.428
63 HH22 ARG 7 2HH2 ARG 7 0.647 -0.154 14.432
64 H ASN 8 H ASN 8 2.809 4.721 7.648
65 HA ASN 8 HA ASN 8 0.806 6.764 6.965
66 HB2 ASN 8 1HB ASN 8 3.512 7.417 8.083
67 HB3 ASN 8 2HB ASN 8 2.007 8.323 8.214
68 HD21 ASN 8 2HD2 ASN 8 0.278 6.391 9.086
69 HD22 ASN 8 1HD2 ASN 8 0.747 5.863 10.663
70 H GLY 9 H GLY 9 2.443 4.955 5.161
71 HA2 GLY 9 1HA GLY 9 3.029 5.378 2.924
72 HA3 GLY 9 2HA GLY 9 3.243 7.076 3.324
73 H LEU 10 H LEU 10 4.706 4.726 5.383
74 HA LEU 10 HA LEU 10 7.290 5.037 4.032
75 HB2 LEU 10 1HB LEU 10 6.892 5.438 6.991
76 HB3 LEU 10 2HB LEU 10 8.409 5.567 6.103
77 HG LEU 10 HG LEU 10 6.303 7.383 5.168
78 HD11 LEU 10 1HD1 LEU 10 6.834 7.161 7.995
79 HD12 LEU 10 2HD1 LEU 10 5.656 8.160 7.145
80 HD13 LEU 10 3HD1 LEU 10 7.303 8.745 7.376
81 HD21 LEU 10 3HD2 LEU 10 8.446 8.896 5.743
82 HD22 LEU 10 1HD2 LEU 10 8.278 7.976 4.247
83 HD23 LEU 10 2HD2 LEU 10 9.224 7.320 5.583
84 HA PRO 11 HA PRO 11 7.825 0.765 4.893
85 HB2 PRO 11 1HB PRO 11 10.529 0.618 5.091
86 HB3 PRO 11 2HB PRO 11 9.690 0.857 3.554
87 HG2 PRO 11 1HG PRO 11 11.020 2.875 5.319
88 HG3 PRO 11 2HG PRO 11 11.076 2.724 3.553
89 HD2 PRO 11 1HD PRO 11 9.480 4.513 4.812
90 HD3 PRO 11 2HD PRO 11 9.030 3.748 3.275
91 H VAL 12 H VAL 12 6.777 1.235 7.068
92 HA VAL 12 HA VAL 12 8.736 0.867 9.241
93 HB VAL 12 HB VAL 12 7.154 1.848 10.778
94 HG11 VAL 12 1HG1 VAL 12 7.584 3.489 8.289
95 HG12 VAL 12 2HG1 VAL 12 7.004 4.153 9.817
96 HG13 VAL 12 3HG1 VAL 12 8.607 3.422 9.723
97 HG21 VAL 12 3HG2 VAL 12 5.091 1.042 9.760
98 HG22 VAL 12 1HG2 VAL 12 5.022 2.785 10.017
99 HG23 VAL 12 2HG2 VAL 12 5.318 2.143 8.401
100 H CYS 13 H CYS 13 5.942 -0.384 7.637
101 HA CYS 13 HA CYS 13 5.142 -2.197 9.700
102 HB2 CYS 13 1HB CYS 13 4.534 -2.479 6.759
103 HB3 CYS 13 2HB CYS 13 3.588 -3.065 8.124
104 H GLY 14 H GLY 14 7.299 -2.346 6.934
105 HA2 GLY 14 1HA GLY 14 8.748 -3.973 6.204
106 HA3 GLY 14 2HA GLY 14 8.902 -4.376 7.908
107 H GLU 15 H GLU 15 5.876 -4.634 6.173
108 HA GLU 15 HA GLU 15 6.176 -7.556 6.085
109 HB2 GLU 15 1HB GLU 15 3.714 -7.649 6.789
110 HB3 GLU 15 2HB GLU 15 4.901 -7.301 8.038
111 HG2 GLU 15 1HG GLU 15 4.377 -4.938 7.916
112 HG3 GLU 15 2HG GLU 15 3.233 -5.243 6.610
113 H THR 16 H THR 16 6.550 -7.207 3.820
114 HA THR 16 HA THR 16 4.821 -5.889 2.074
115 HB THR 16 HB THR 16 5.814 -7.193 0.282
116 HG1 THR 16 HG1 THR 16 6.501 -9.159 0.641
117 HG21 THR 16 3HG2 THR 16 7.928 -6.341 0.473
118 HG22 THR 16 1HG2 THR 16 8.123 -6.898 2.134
119 HG23 THR 16 2HG2 THR 16 7.151 -5.467 1.792
120 H CYS 17 H CYS 17 2.713 -6.241 1.852
121 HA CYS 17 HA CYS 17 1.499 -8.766 2.457
122 HB2 CYS 17 1HB CYS 17 -0.600 -7.654 1.752
123 HB3 CYS 17 2HB CYS 17 0.298 -6.712 2.938
124 H THR 18 H THR 18 0.655 -10.277 1.085
125 HA THR 18 HA THR 18 1.194 -9.897 -1.789
126 HB THR 18 HB THR 18 1.361 -12.512 -1.736
127 HG1 THR 18 HG1 THR 18 2.128 -13.308 0.217
128 HG21 THR 18 3HG2 THR 18 3.840 -12.270 -1.150
129 HG22 THR 18 1HG2 THR 18 3.488 -10.563 -0.884
130 HG23 THR 18 2HG2 THR 18 3.225 -11.281 -2.474
131 H LEU 19 H LEU 19 -1.256 -9.645 0.047
132 HA LEU 19 HA LEU 19 -3.049 -11.156 -1.713
133 HB2 LEU 19 1HB LEU 19 -4.386 -11.176 0.685
134 HB3 LEU 19 2HB LEU 19 -3.548 -12.542 -0.049
135 HG LEU 19 HG LEU 19 -1.522 -11.918 1.263
136 HD11 LEU 19 1HD1 LEU 19 -1.406 -10.098 2.550
137 HD12 LEU 19 2HD1 LEU 19 -3.029 -10.337 3.195
138 HD13 LEU 19 3HD1 LEU 19 -2.807 -9.528 1.643
139 HD21 LEU 19 3HD2 LEU 19 -3.865 -12.350 3.089
140 HD22 LEU 19 1HD2 LEU 19 -2.229 -12.998 3.216
141 HD23 LEU 19 2HD2 LEU 19 -3.319 -13.594 1.963
142 H GLY 20 H GLY 20 -2.125 -8.267 -1.156
143 HA2 GLY 20 1HA GLY 20 -3.112 -6.211 -1.474
144 HA3 GLY 20 2HA GLY 20 -4.630 -7.049 -1.761
145 H THR 21 H THR 21 -2.619 -7.161 1.145
146 HA THR 21 HA THR 21 -4.030 -5.283 2.669
147 HB THR 21 HB THR 21 -5.966 -6.706 2.482
148 HG1 THR 21 HG1 THR 21 -6.191 -7.251 4.770
149 HG21 THR 21 3HG2 THR 21 -4.369 -8.950 3.706
150 HG22 THR 21 1HG2 THR 21 -4.632 -8.791 1.970
151 HG23 THR 21 2HG2 THR 21 -6.006 -9.015 3.053
152 H CYS 22 H CYS 22 -2.588 -4.756 4.162
153 HA CYS 22 HA CYS 22 -0.301 -6.209 4.776
154 HB2 CYS 22 1HB CYS 22 -1.728 -4.061 6.352
155 HB3 CYS 22 2HB CYS 22 -0.137 -4.685 6.777
156 H SER 23 H SER 23 0.342 -7.357 6.652
157 HA SER 23 HA SER 23 -1.617 -9.190 7.601
158 HB2 SER 23 1HB SER 23 1.272 -8.896 7.728
159 HB3 SER 23 2HB SER 23 0.608 -9.444 9.267
160 HG SER 23 HG SER 23 0.556 -10.686 6.755
161 H THR 24 H THR 24 0.109 -6.467 9.062
162 HA THR 24 HA THR 24 -1.020 -6.795 11.653
163 HB THR 24 HB THR 24 1.098 -5.534 11.163
164 HG1 THR 24 HG1 THR 24 -0.362 -5.277 13.105
165 HG21 THR 24 3HG2 THR 24 -0.565 -4.095 9.428
166 HG22 THR 24 1HG2 THR 24 1.119 -3.753 9.820
167 HG23 THR 24 2HG2 THR 24 -0.174 -2.983 10.740
168 H GLN 25 H GLN 25 -2.157 -4.696 12.601
169 HA GLN 25 HA GLN 25 -4.485 -4.186 10.871
170 HB2 GLN 25 1HB GLN 25 -5.681 -3.743 13.063
171 HB3 GLN 25 2HB GLN 25 -5.219 -5.413 12.759
172 HG2 GLN 25 1HG GLN 25 -3.988 -5.489 14.597
173 HG3 GLN 25 2HG GLN 25 -3.135 -4.008 14.166
174 HE21 GLN 25 2HE2 GLN 25 -3.129 -3.354 16.332
175 HE22 GLN 25 1HE2 GLN 25 -4.549 -2.732 17.095
176 H GLY 26 H GLY 26 -3.831 -2.303 9.885
177 HA2 GLY 26 1HA GLY 26 -4.438 0.127 10.667
178 HA3 GLY 26 2HA GLY 26 -2.950 -0.081 11.578
179 H CYS 27 H CYS 27 -1.519 -1.565 9.620
180 HA CYS 27 HA CYS 27 -0.408 0.537 8.117
181 HB2 CYS 27 1HB CYS 27 -0.102 -2.448 8.080
182 HB3 CYS 27 2HB CYS 27 0.664 -1.469 6.833
183 H THR 28 H THR 28 -0.085 0.291 5.657
184 HA THR 28 HA THR 28 -2.542 -0.576 4.318
185 HB THR 28 HB THR 28 -3.050 1.446 3.344
186 HG1 THR 28 HG1 THR 28 -0.567 2.633 3.995
187 HG21 THR 28 3HG2 THR 28 -1.726 2.614 5.767
188 HG22 THR 28 1HG2 THR 28 -3.093 1.513 5.934
189 HG23 THR 28 2HG2 THR 28 -3.280 3.023 5.042
190 H CYS 29 H CYS 29 -2.193 -1.512 2.390
191 HA CYS 29 HA CYS 29 0.473 -2.041 1.547
192 HB2 CYS 29 1HB CYS 29 -2.218 -2.628 0.313
193 HB3 CYS 29 2HB CYS 29 -0.701 -3.122 -0.432
Start of MODEL 17
1 H1 SER 1 H SER 1 1.820 0.171 0.292
2 HA SER 1 HA SER 1 1.384 0.907 -2.434
3 HB2 SER 1 1HB SER 1 3.395 1.537 -1.012
4 HB3 SER 1 2HB SER 1 3.969 -0.113 -1.249
5 HG SER 1 HG SER 1 3.564 1.904 -3.189
6 H TRP 2 H TRP 2 2.455 -2.055 -0.805
7 HA TRP 2 HA TRP 2 2.467 -4.233 -1.463
8 HB2 TRP 2 1HB TRP 2 0.122 -3.819 -2.074
9 HB3 TRP 2 2HB TRP 2 0.633 -3.249 -3.660
10 HD1 TRP 2 HD1 TRP 2 -0.174 -6.388 -1.756
11 HE1 TRP 2 HE1 TRP 2 0.074 -8.426 -3.307
12 HE3 TRP 2 HE3 TRP 2 2.120 -4.116 -5.720
13 HZ2 TRP 2 HZ2 TRP 2 1.106 -8.996 -5.872
14 HZ3 TRP 2 HZ3 TRP 2 2.705 -5.479 -7.683
15 HH2 TRP 2 HH2 TRP 2 2.208 -7.869 -7.756
16 HA PRO 3 HA PRO 3 2.883 -6.177 -2.182
17 HB2 PRO 3 1HB PRO 3 5.258 -7.445 -1.831
18 HB3 PRO 3 2HB PRO 3 4.242 -7.685 -3.257
19 HG2 PRO 3 1HG PRO 3 6.657 -5.947 -2.922
20 HG3 PRO 3 2HG PRO 3 6.218 -7.004 -4.277
21 HD2 PRO 3 1HD PRO 3 5.836 -4.325 -4.338
22 HD3 PRO 3 2HD PRO 3 4.758 -5.462 -5.172
23 H ILE 4 H ILE 4 5.366 -3.826 -1.706
24 HA ILE 4 HA ILE 4 6.059 -4.435 0.969
25 HB ILE 4 HB ILE 4 6.152 -1.750 -0.411
26 HG12 ILE 4 1HG1 ILE 4 7.426 -3.335 -1.698
27 HG13 ILE 4 2HG1 ILE 4 8.560 -2.347 -0.782
28 HG21 ILE 4 1HG2 ILE 4 6.498 -1.191 1.777
29 HG22 ILE 4 2HG2 ILE 4 7.166 -2.769 2.190
30 HG23 ILE 4 3HG2 ILE 4 8.148 -1.601 1.306
31 HD11 ILE 4 3HD1 ILE 4 9.488 -4.266 -0.166
32 HD12 ILE 4 1HD1 ILE 4 8.092 -4.475 0.891
33 HD13 ILE 4 2HD1 ILE 4 8.102 -5.208 -0.714
34 H CYS 5 H CYS 5 5.413 -3.431 2.908
35 HA CYS 5 HA CYS 5 2.646 -2.455 2.848
36 HB2 CYS 5 1HB CYS 5 4.201 -4.128 4.684
37 HB3 CYS 5 2HB CYS 5 3.259 -2.884 5.499
38 H LYS 6 H LYS 6 2.047 -0.537 3.780
39 HA LYS 6 HA LYS 6 4.054 1.085 5.133
40 HB2 LYS 6 1HB LYS 6 2.880 1.698 2.458
41 HB3 LYS 6 2HB LYS 6 3.164 3.031 3.569
42 HG2 LYS 6 1HG LYS 6 5.193 3.079 2.632
43 HG3 LYS 6 2HG LYS 6 5.535 1.726 3.713
44 HD2 LYS 6 1HD LYS 6 5.036 0.141 1.974
45 HD3 LYS 6 2HD LYS 6 4.492 1.431 0.898
46 HE2 LYS 6 1HE LYS 6 6.743 0.679 0.320
47 HE3 LYS 6 2HE LYS 6 6.746 2.359 0.855
48 HZ1 LYS 6 3HZ LYS 6 7.153 0.580 3.036
49 HZ2 LYS 6 1HZ LYS 6 8.122 1.860 2.503
50 HZ3 LYS 6 2HZ LYS 6 8.309 0.321 1.828
51 H ARG 7 H ARG 7 3.163 2.013 6.851
52 HA ARG 7 HA ARG 7 0.406 1.815 7.422
53 HB2 ARG 7 1HB ARG 7 1.946 1.857 9.246
54 HB3 ARG 7 2HB ARG 7 2.633 3.386 8.712
55 HG2 ARG 7 1HG ARG 7 0.963 4.615 9.620
56 HG3 ARG 7 2HG ARG 7 -0.255 3.368 9.344
57 HD2 ARG 7 1HD ARG 7 -0.067 3.272 11.626
58 HD3 ARG 7 2HD ARG 7 1.129 2.065 11.152
59 HE ARG 7 HE ARG 7 2.758 3.401 12.032
60 HH11 ARG 7 1HH1 ARG 7 -0.106 5.312 11.515
61 HH12 ARG 7 2HH1 ARG 7 0.533 6.719 12.299
62 HH21 ARG 7 1HH2 ARG 7 3.611 5.247 13.066
63 HH22 ARG 7 2HH2 ARG 7 2.648 6.681 13.180
64 H ASN 8 H ASN 8 2.331 4.805 7.117
65 HA ASN 8 HA ASN 8 -0.076 6.123 6.047
66 HB2 ASN 8 1HB ASN 8 2.055 7.019 7.920
67 HB3 ASN 8 2HB ASN 8 1.412 8.219 6.803
68 HD21 ASN 8 2HD2 ASN 8 -0.189 5.513 8.418
69 HD22 ASN 8 1HD2 ASN 8 -1.348 6.475 9.263
70 H GLY 9 H GLY 9 2.082 4.602 4.619
71 HA2 GLY 9 1HA GLY 9 2.620 4.994 2.322
72 HA3 GLY 9 2HA GLY 9 2.692 6.715 2.668
73 H LEU 10 H LEU 10 4.203 4.697 4.974
74 HA LEU 10 HA LEU 10 6.825 5.027 3.701
75 HB2 LEU 10 1HB LEU 10 6.272 5.707 6.583
76 HB3 LEU 10 2HB LEU 10 7.808 5.864 5.732
77 HG LEU 10 HG LEU 10 5.634 7.401 4.522
78 HD11 LEU 10 1HD1 LEU 10 6.639 8.617 7.026
79 HD12 LEU 10 2HD1 LEU 10 5.378 7.393 7.174
80 HD13 LEU 10 3HD1 LEU 10 5.098 8.832 6.195
81 HD21 LEU 10 3HD2 LEU 10 7.597 9.144 5.074
82 HD22 LEU 10 1HD2 LEU 10 7.620 8.068 3.677
83 HD23 LEU 10 2HD2 LEU 10 8.513 7.637 5.136
84 HA PRO 11 HA PRO 11 7.597 0.923 5.059
85 HB2 PRO 11 1HB PRO 11 10.288 0.992 5.410
86 HB3 PRO 11 2HB PRO 11 9.527 1.006 3.815
87 HG2 PRO 11 1HG PRO 11 10.615 3.290 5.414
88 HG3 PRO 11 2HG PRO 11 10.785 2.957 3.681
89 HD2 PRO 11 1HD PRO 11 9.004 4.751 4.652
90 HD3 PRO 11 2HD PRO 11 8.696 3.797 3.186
91 H VAL 12 H VAL 12 6.396 1.514 7.110
92 HA VAL 12 HA VAL 12 8.248 1.424 9.403
93 HB VAL 12 HB VAL 12 6.642 2.618 10.752
94 HG11 VAL 12 1HG1 VAL 12 6.689 4.806 9.649
95 HG12 VAL 12 2HG1 VAL 12 8.229 3.960 9.481
96 HG13 VAL 12 3HG1 VAL 12 7.104 4.024 8.124
97 HG21 VAL 12 3HG2 VAL 12 4.784 3.586 8.849
98 HG22 VAL 12 1HG2 VAL 12 4.822 1.828 8.711
99 HG23 VAL 12 2HG2 VAL 12 4.475 2.583 10.267
100 H CYS 13 H CYS 13 6.732 -0.645 7.717
101 HA CYS 13 HA CYS 13 5.354 -1.979 9.956
102 HB2 CYS 13 1HB CYS 13 4.913 -2.560 7.027
103 HB3 CYS 13 2HB CYS 13 3.928 -3.079 8.392
104 H GLY 14 H GLY 14 7.543 -2.410 7.217
105 HA2 GLY 14 1HA GLY 14 9.254 -3.916 6.905
106 HA3 GLY 14 2HA GLY 14 9.064 -4.384 8.588
107 H GLU 15 H GLU 15 6.456 -4.547 6.258
108 HA GLU 15 HA GLU 15 6.752 -7.468 6.138
109 HB2 GLU 15 1HB GLU 15 3.992 -6.959 6.147
110 HB3 GLU 15 2HB GLU 15 4.936 -7.750 7.401
111 HG2 GLU 15 1HG GLU 15 5.356 -5.551 8.431
112 HG3 GLU 15 2HG GLU 15 4.324 -4.810 7.209
113 H THR 16 H THR 16 5.127 -8.384 4.477
114 HA THR 16 HA THR 16 4.786 -6.551 2.211
115 HB THR 16 HB THR 16 5.479 -8.684 0.800
116 HG1 THR 16 HG1 THR 16 5.919 -9.969 2.664
117 HG21 THR 16 3HG2 THR 16 6.758 -6.283 1.605
118 HG22 THR 16 1HG2 THR 16 7.034 -7.231 0.144
119 HG23 THR 16 2HG2 THR 16 7.973 -7.561 1.600
120 H CYS 17 H CYS 17 2.704 -6.579 1.703
121 HA CYS 17 HA CYS 17 1.074 -8.912 2.308
122 HB2 CYS 17 1HB CYS 17 -0.826 -7.458 1.687
123 HB3 CYS 17 2HB CYS 17 0.193 -6.727 2.923
124 H THR 18 H THR 18 0.025 -10.168 0.818
125 HA THR 18 HA THR 18 0.748 -9.715 -2.004
126 HB THR 18 HB THR 18 0.235 -12.347 -2.016
127 HG1 THR 18 HG1 THR 18 -0.105 -12.543 0.203
128 HG21 THR 18 3HG2 THR 18 2.313 -11.073 -2.726
129 HG22 THR 18 1HG2 THR 18 2.572 -12.711 -2.127
130 HG23 THR 18 2HG2 THR 18 2.912 -11.328 -1.087
131 H LEU 19 H LEU 19 -1.698 -9.081 -0.220
132 HA LEU 19 HA LEU 19 -3.668 -10.003 -2.184
133 HB2 LEU 19 1HB LEU 19 -5.114 -9.954 0.148
134 HB3 LEU 19 2HB LEU 19 -4.536 -11.396 -0.684
135 HG LEU 19 HG LEU 19 -2.507 -11.337 0.760
136 HD11 LEU 19 1HD1 LEU 19 -3.449 -8.773 1.391
137 HD12 LEU 19 2HD1 LEU 19 -2.050 -9.607 2.067
138 HD13 LEU 19 3HD1 LEU 19 -3.621 -9.735 2.859
139 HD21 LEU 19 3HD2 LEU 19 -3.568 -12.316 2.653
140 HD22 LEU 19 1HD2 LEU 19 -4.550 -12.707 1.242
141 HD23 LEU 19 2HD2 LEU 19 -5.065 -11.433 2.348
142 H GLY 20 H GLY 20 -2.181 -7.445 -1.237
143 HA2 GLY 20 1HA GLY 20 -2.707 -5.206 -1.447
144 HA3 GLY 20 2HA GLY 20 -4.365 -5.673 -1.795
145 H THR 21 H THR 21 -2.482 -6.474 1.085
146 HA THR 21 HA THR 21 -3.442 -4.462 2.772
147 HB THR 21 HB THR 21 -5.659 -5.328 2.480
148 HG1 THR 21 HG1 THR 21 -6.056 -6.049 4.684
149 HG21 THR 21 3HG2 THR 21 -5.021 -7.568 1.657
150 HG22 THR 21 1HG2 THR 21 -6.255 -7.643 2.914
151 HG23 THR 21 2HG2 THR 21 -4.578 -8.027 3.301
152 H CYS 22 H CYS 22 -2.334 -4.507 4.646
153 HA CYS 22 HA CYS 22 -0.315 -6.456 5.032
154 HB2 CYS 22 1HB CYS 22 -0.927 -3.893 6.048
155 HB3 CYS 22 2HB CYS 22 -0.829 -4.968 7.438
156 H SER 23 H SER 23 -0.187 -7.032 7.672
157 HA SER 23 HA SER 23 -2.686 -8.398 8.363
158 HB2 SER 23 1HB SER 23 -0.921 -9.872 7.100
159 HB3 SER 23 2HB SER 23 -0.099 -9.886 8.660
160 HG SER 23 HG SER 23 -2.524 -11.035 7.908
161 H THR 24 H THR 24 -1.280 -6.050 9.410
162 HA THR 24 HA THR 24 -0.639 -7.023 12.118
163 HB THR 24 HB THR 24 1.220 -5.836 10.925
164 HG1 THR 24 HG1 THR 24 0.338 -4.326 13.159
165 HG21 THR 24 3HG2 THR 24 -0.428 -3.349 11.338
166 HG22 THR 24 1HG2 THR 24 -0.343 -4.193 9.793
167 HG23 THR 24 2HG2 THR 24 1.117 -3.504 10.503
168 H GLN 25 H GLN 25 -3.007 -5.558 10.344
169 HA GLN 25 HA GLN 25 -4.916 -4.442 10.877
170 HB2 GLN 25 1HB GLN 25 -4.668 -6.121 12.877
171 HB3 GLN 25 2HB GLN 25 -4.297 -4.670 13.797
172 HG2 GLN 25 1HG GLN 25 -6.591 -4.053 12.331
173 HG3 GLN 25 2HG GLN 25 -6.838 -5.691 12.934
174 HE21 GLN 25 2HE2 GLN 25 -5.636 -5.684 15.331
175 HE22 GLN 25 1HE2 GLN 25 -6.382 -4.543 16.391
176 H GLY 26 H GLY 26 -2.364 -3.034 10.590
177 HA2 GLY 26 1HA GLY 26 -3.247 -0.448 11.418
178 HA3 GLY 26 2HA GLY 26 -1.905 -1.010 12.404
179 H CYS 27 H CYS 27 -2.191 -1.929 9.057
180 HA CYS 27 HA CYS 27 -0.305 0.127 8.214
181 HB2 CYS 27 1HB CYS 27 0.317 -2.786 8.426
182 HB3 CYS 27 2HB CYS 27 0.980 -1.886 7.066
183 H THR 28 H THR 28 -0.063 0.255 5.894
184 HA THR 28 HA THR 28 -2.362 -0.915 4.467
185 HB THR 28 HB THR 28 -1.182 1.415 3.177
186 HG1 THR 28 HG1 THR 28 -1.713 2.916 4.721
187 HG21 THR 28 3HG2 THR 28 -3.472 2.074 2.942
188 HG22 THR 28 1HG2 THR 28 -3.980 0.961 4.211
189 HG23 THR 28 2HG2 THR 28 -3.387 0.334 2.673
190 H CYS 29 H CYS 29 -1.729 -0.354 1.896
191 HA CYS 29 HA CYS 29 0.923 -1.510 1.414
192 HB2 CYS 29 1HB CYS 29 -1.677 -2.547 0.269
193 HB3 CYS 29 2HB CYS 29 -0.082 -3.021 -0.308
Start of MODEL 18
1 H1 SER 1 H SER 1 1.493 0.006 0.752
2 HA SER 1 HA SER 1 1.475 0.447 -2.110
3 HB2 SER 1 1HB SER 1 3.031 1.572 -0.363
4 HB3 SER 1 2HB SER 1 3.958 0.074 -0.453
5 HG SER 1 HG SER 1 3.417 1.933 -2.515
6 H TRP 2 H TRP 2 0.400 -1.933 -1.876
7 HA TRP 2 HA TRP 2 1.857 -4.220 -1.564
8 HB2 TRP 2 1HB TRP 2 -0.523 -4.253 -2.081
9 HB3 TRP 2 2HB TRP 2 -0.204 -3.648 -3.704
10 HD1 TRP 2 HD1 TRP 2 -0.437 -6.822 -1.729
11 HE1 TRP 2 HE1 TRP 2 0.084 -8.834 -3.247
12 HE3 TRP 2 HE3 TRP 2 1.381 -4.318 -5.798
13 HZ2 TRP 2 HZ2 TRP 2 1.128 -9.298 -5.828
14 HZ3 TRP 2 HZ3 TRP 2 2.121 -5.620 -7.750
15 HH2 TRP 2 HH2 TRP 2 1.996 -8.058 -7.763
16 HA PRO 3 HA PRO 3 2.439 -6.178 -2.232
17 HB2 PRO 3 1HB PRO 3 4.950 -7.161 -1.916
18 HB3 PRO 3 2HB PRO 3 3.921 -7.578 -3.292
19 HG2 PRO 3 1HG PRO 3 6.138 -5.573 -3.122
20 HG3 PRO 3 2HG PRO 3 5.776 -6.734 -4.413
21 HD2 PRO 3 1HD PRO 3 5.097 -4.117 -4.574
22 HD3 PRO 3 2HD PRO 3 4.126 -5.403 -5.318
23 H ILE 4 H ILE 4 5.315 -4.107 -1.897
24 HA ILE 4 HA ILE 4 5.899 -4.361 0.747
25 HB ILE 4 HB ILE 4 5.776 -1.684 -0.639
26 HG12 ILE 4 1HG1 ILE 4 6.950 -3.162 -2.116
27 HG13 ILE 4 2HG1 ILE 4 8.158 -2.198 -1.274
28 HG21 ILE 4 1HG2 ILE 4 6.261 -1.345 1.632
29 HG22 ILE 4 2HG2 ILE 4 7.313 -2.758 1.705
30 HG23 ILE 4 3HG2 ILE 4 7.829 -1.319 0.826
31 HD11 ILE 4 3HD1 ILE 4 9.174 -4.121 -0.842
32 HD12 ILE 4 1HD1 ILE 4 7.889 -4.417 0.329
33 HD13 ILE 4 2HD1 ILE 4 7.758 -5.065 -1.306
34 H CYS 5 H CYS 5 5.360 -3.103 2.640
35 HA CYS 5 HA CYS 5 2.580 -2.124 2.618
36 HB2 CYS 5 1HB CYS 5 3.944 -4.060 4.398
37 HB3 CYS 5 2HB CYS 5 2.887 -2.895 5.189
38 H LYS 6 H LYS 6 2.098 -0.324 3.859
39 HA LYS 6 HA LYS 6 4.146 0.925 5.478
40 HB2 LYS 6 1HB LYS 6 3.405 1.903 2.771
41 HB3 LYS 6 2HB LYS 6 3.594 3.114 4.032
42 HG2 LYS 6 1HG LYS 6 5.753 3.096 3.503
43 HG3 LYS 6 2HG LYS 6 5.826 1.554 4.359
44 HD2 LYS 6 1HD LYS 6 5.444 0.353 2.286
45 HD3 LYS 6 2HD LYS 6 5.265 1.875 1.411
46 HE2 LYS 6 1HE LYS 6 7.765 1.311 2.952
47 HE3 LYS 6 2HE LYS 6 7.536 0.607 1.352
48 HZ1 LYS 6 3HZ LYS 6 8.695 2.890 1.592
49 HZ2 LYS 6 1HZ LYS 6 7.121 3.493 1.746
50 HZ3 LYS 6 2HZ LYS 6 7.574 2.659 0.346
51 H ARG 7 H ARG 7 3.286 2.138 7.075
52 HA ARG 7 HA ARG 7 0.433 2.130 7.393
53 HB2 ARG 7 1HB ARG 7 1.880 1.774 9.320
54 HB3 ARG 7 2HB ARG 7 2.620 3.352 9.085
55 HG2 ARG 7 1HG ARG 7 1.137 4.109 10.555
56 HG3 ARG 7 2HG ARG 7 -0.064 3.936 9.274
57 HD2 ARG 7 1HD ARG 7 -0.466 1.609 10.043
58 HD3 ARG 7 2HD ARG 7 0.636 1.903 11.387
59 HE ARG 7 HE ARG 7 -1.538 3.788 11.183
60 HH11 ARG 7 1HH1 ARG 7 -0.451 0.758 12.508
61 HH12 ARG 7 2HH1 ARG 7 -1.594 0.768 13.810
62 HH21 ARG 7 1HH2 ARG 7 -3.047 3.813 12.893
63 HH22 ARG 7 2HH2 ARG 7 -3.071 2.506 14.028
64 H ASN 8 H ASN 8 2.759 4.826 7.636
65 HA ASN 8 HA ASN 8 0.679 6.591 6.531
66 HB2 ASN 8 1HB ASN 8 2.963 7.099 8.428
67 HB3 ASN 8 2HB ASN 8 2.171 8.418 7.571
68 HD21 ASN 8 2HD2 ASN 8 1.641 5.754 9.801
69 HD22 ASN 8 1HD2 ASN 8 0.254 6.436 10.575
70 H GLY 9 H GLY 9 2.292 4.976 4.834
71 HA2 GLY 9 1HA GLY 9 3.260 5.320 2.758
72 HA3 GLY 9 2HA GLY 9 3.331 7.040 3.114
73 H LEU 10 H LEU 10 4.668 4.890 5.444
74 HA LEU 10 HA LEU 10 7.373 5.304 4.383
75 HB2 LEU 10 1HB LEU 10 6.594 5.767 7.257
76 HB3 LEU 10 2HB LEU 10 8.201 5.955 6.558
77 HG LEU 10 HG LEU 10 6.125 7.618 5.313
78 HD11 LEU 10 1HD1 LEU 10 5.758 7.451 7.946
79 HD12 LEU 10 2HD1 LEU 10 5.560 8.957 7.051
80 HD13 LEU 10 3HD1 LEU 10 7.057 8.643 7.928
81 HD21 LEU 10 3HD2 LEU 10 8.147 8.307 4.592
82 HD22 LEU 10 1HD2 LEU 10 8.981 7.719 6.031
83 HD23 LEU 10 2HD2 LEU 10 8.121 9.258 6.078
84 HA PRO 11 HA PRO 11 8.053 1.100 5.452
85 HB2 PRO 11 1HB PRO 11 10.718 1.129 5.970
86 HB3 PRO 11 2HB PRO 11 10.055 1.271 4.338
87 HG2 PRO 11 1HG PRO 11 11.044 3.418 6.174
88 HG3 PRO 11 2HG PRO 11 11.318 3.221 4.434
89 HD2 PRO 11 1HD PRO 11 9.482 4.941 5.433
90 HD3 PRO 11 2HD PRO 11 9.263 4.106 3.881
91 H VAL 12 H VAL 12 6.727 1.578 7.473
92 HA VAL 12 HA VAL 12 8.426 1.429 9.876
93 HB VAL 12 HB VAL 12 6.578 2.288 11.169
94 HG11 VAL 12 1HG1 VAL 12 6.292 4.534 10.040
95 HG12 VAL 12 2HG1 VAL 12 7.955 3.999 10.292
96 HG13 VAL 12 3HG1 VAL 12 7.218 3.872 8.693
97 HG21 VAL 12 3HG2 VAL 12 4.525 1.769 10.447
98 HG22 VAL 12 1HG2 VAL 12 4.666 3.192 9.415
99 HG23 VAL 12 2HG2 VAL 12 5.062 1.597 8.776
100 H CYS 13 H CYS 13 5.966 -0.128 8.005
101 HA CYS 13 HA CYS 13 5.197 -1.996 10.055
102 HB2 CYS 13 1HB CYS 13 4.701 -2.302 7.097
103 HB3 CYS 13 2HB CYS 13 3.758 -2.958 8.432
104 H GLY 14 H GLY 14 7.302 -2.024 7.214
105 HA2 GLY 14 1HA GLY 14 8.988 -3.453 6.596
106 HA3 GLY 14 2HA GLY 14 9.053 -3.948 8.281
107 H GLU 15 H GLU 15 6.516 -4.292 5.808
108 HA GLU 15 HA GLU 15 6.872 -7.187 5.849
109 HB2 GLU 15 1HB GLU 15 4.442 -7.547 6.229
110 HB3 GLU 15 2HB GLU 15 5.268 -6.858 7.619
111 HG2 GLU 15 1HG GLU 15 4.445 -4.607 6.398
112 HG3 GLU 15 2HG GLU 15 3.168 -5.719 5.906
113 H THR 16 H THR 16 5.345 -8.242 4.233
114 HA THR 16 HA THR 16 4.771 -6.451 1.973
115 HB THR 16 HB THR 16 5.629 -8.194 0.412
116 HG1 THR 16 HG1 THR 16 5.615 -9.765 2.390
117 HG21 THR 16 3HG2 THR 16 8.013 -7.696 0.756
118 HG22 THR 16 1HG2 THR 16 7.649 -7.097 2.373
119 HG23 THR 16 2HG2 THR 16 7.011 -6.260 0.958
120 H CYS 17 H CYS 17 2.646 -6.583 1.675
121 HA CYS 17 HA CYS 17 1.172 -8.973 2.356
122 HB2 CYS 17 1HB CYS 17 -0.810 -7.652 1.678
123 HB3 CYS 17 2HB CYS 17 0.185 -6.812 2.863
124 H THR 18 H THR 18 0.263 -10.421 0.982
125 HA THR 18 HA THR 18 0.775 -10.037 -1.896
126 HB THR 18 HB THR 18 0.757 -12.653 -1.885
127 HG1 THR 18 HG1 THR 18 0.246 -12.823 0.364
128 HG21 THR 18 3HG2 THR 18 3.214 -11.447 -0.672
129 HG22 THR 18 1HG2 THR 18 2.688 -10.951 -2.280
130 HG23 THR 18 2HG2 THR 18 3.075 -12.642 -1.961
131 H LEU 19 H LEU 19 -1.624 -9.699 0.044
132 HA LEU 19 HA LEU 19 -3.546 -11.048 -1.721
133 HB2 LEU 19 1HB LEU 19 -4.866 -10.967 0.672
134 HB3 LEU 19 2HB LEU 19 -4.092 -12.387 -0.027
135 HG LEU 19 HG LEU 19 -2.050 -11.850 1.286
136 HD11 LEU 19 1HD1 LEU 19 -3.273 -10.197 3.262
137 HD12 LEU 19 2HD1 LEU 19 -3.390 -9.403 1.692
138 HD13 LEU 19 3HD1 LEU 19 -1.816 -9.902 2.313
139 HD21 LEU 19 3HD2 LEU 19 -2.800 -12.937 3.167
140 HD22 LEU 19 1HD2 LEU 19 -4.084 -13.320 2.020
141 HD23 LEU 19 2HD2 LEU 19 -4.320 -12.042 3.213
142 H GLY 20 H GLY 20 -2.381 -8.208 -0.949
143 HA2 GLY 20 1HA GLY 20 -3.239 -6.098 -1.389
144 HA3 GLY 20 2HA GLY 20 -4.826 -6.823 -1.598
145 H THR 21 H THR 21 -2.710 -7.060 1.223
146 HA THR 21 HA THR 21 -3.862 -5.056 2.784
147 HB THR 21 HB THR 21 -5.959 -6.180 2.726
148 HG1 THR 21 HG1 THR 21 -6.221 -6.635 4.930
149 HG21 THR 21 3HG2 THR 21 -4.553 -8.703 3.603
150 HG22 THR 21 1HG2 THR 21 -5.079 -8.372 1.953
151 HG23 THR 21 2HG2 THR 21 -6.269 -8.517 3.246
152 H CYS 22 H CYS 22 -2.318 -4.695 4.223
153 HA CYS 22 HA CYS 22 -0.177 -6.354 4.768
154 HB2 CYS 22 1HB CYS 22 -1.367 -4.210 6.540
155 HB3 CYS 22 2HB CYS 22 0.238 -4.907 6.737
156 H SER 23 H SER 23 0.368 -7.752 6.435
157 HA SER 23 HA SER 23 -1.704 -9.396 7.420
158 HB2 SER 23 1HB SER 23 0.498 -10.321 7.038
159 HB3 SER 23 2HB SER 23 1.213 -9.209 8.205
160 HG SER 23 HG SER 23 0.922 -11.089 9.293
161 H THR 24 H THR 24 -0.135 -6.582 8.684
162 HA THR 24 HA THR 24 -1.071 -7.018 11.393
163 HB THR 24 HB THR 24 1.110 -5.872 10.887
164 HG1 THR 24 HG1 THR 24 0.870 -4.884 12.756
165 HG21 THR 24 3HG2 THR 24 -0.303 -4.403 9.099
166 HG22 THR 24 1HG2 THR 24 1.247 -3.909 9.779
167 HG23 THR 24 2HG2 THR 24 -0.255 -3.296 10.470
168 H GLN 25 H GLN 25 -2.058 -4.862 12.397
169 HA GLN 25 HA GLN 25 -4.368 -4.161 10.709
170 HB2 GLN 25 1HB GLN 25 -4.305 -4.146 13.725
171 HB3 GLN 25 2HB GLN 25 -5.713 -4.010 12.681
172 HG2 GLN 25 1HG GLN 25 -4.549 -6.414 11.946
173 HG3 GLN 25 2HG GLN 25 -4.386 -6.363 13.701
174 HE21 GLN 25 2HE2 GLN 25 -5.958 -7.469 14.602
175 HE22 GLN 25 1HE2 GLN 25 -7.620 -7.451 14.131
176 H GLY 26 H GLY 26 -3.914 -2.213 9.857
177 HA2 GLY 26 1HA GLY 26 -4.272 0.176 10.711
178 HA3 GLY 26 2HA GLY 26 -2.818 -0.141 11.645
179 H CYS 27 H CYS 27 -1.694 -1.752 9.393
180 HA CYS 27 HA CYS 27 -0.441 0.456 8.025
181 HB2 CYS 27 1HB CYS 27 -0.030 -2.527 8.001
182 HB3 CYS 27 2HB CYS 27 0.809 -1.473 6.867
183 H THR 28 H THR 28 -0.177 0.460 5.656
184 HA THR 28 HA THR 28 -2.518 -0.643 4.252
185 HB THR 28 HB THR 28 -3.096 1.340 3.275
186 HG1 THR 28 HG1 THR 28 -1.536 3.075 3.007
187 HG21 THR 28 3HG2 THR 28 -3.050 1.526 5.853
188 HG22 THR 28 1HG2 THR 28 -3.275 2.996 4.907
189 HG23 THR 28 2HG2 THR 28 -1.694 2.624 5.596
190 H CYS 29 H CYS 29 -2.168 -1.425 2.219
191 HA CYS 29 HA CYS 29 0.563 -1.944 1.480
192 HB2 CYS 29 1HB CYS 29 -2.059 -2.659 0.155
193 HB3 CYS 29 2HB CYS 29 -0.484 -3.185 -0.430
Start of MODEL 19
1 H1 SER 1 H SER 1 1.931 0.036 0.732
2 HA SER 1 HA SER 1 1.845 0.531 -2.134
3 HB2 SER 1 1HB SER 1 3.514 1.628 -0.539
4 HB3 SER 1 2HB SER 1 4.317 0.059 -0.468
5 HG SER 1 HG SER 1 5.169 0.467 -2.335
6 H TRP 2 H TRP 2 0.637 -1.740 -1.964
7 HA TRP 2 HA TRP 2 1.913 -4.133 -1.627
8 HB2 TRP 2 1HB TRP 2 -0.457 -3.978 -2.181
9 HB3 TRP 2 2HB TRP 2 -0.063 -3.410 -3.801
10 HD1 TRP 2 HD1 TRP 2 -0.572 -6.545 -1.812
11 HE1 TRP 2 HE1 TRP 2 -0.186 -8.600 -3.313
12 HE3 TRP 2 HE3 TRP 2 1.492 -4.213 -5.867
13 HZ2 TRP 2 HZ2 TRP 2 0.856 -9.158 -5.876
14 HZ3 TRP 2 HZ3 TRP 2 2.157 -5.580 -7.801
15 HH2 TRP 2 HH2 TRP 2 1.845 -8.001 -7.804
16 HA PRO 3 HA PRO 3 2.370 -6.123 -2.278
17 HB2 PRO 3 1HB PRO 3 4.802 -7.278 -1.924
18 HB3 PRO 3 2HB PRO 3 3.766 -7.627 -3.313
19 HG2 PRO 3 1HG PRO 3 6.114 -5.781 -3.118
20 HG3 PRO 3 2HG PRO 3 5.690 -6.919 -4.410
21 HD2 PRO 3 1HD PRO 3 5.198 -4.262 -4.588
22 HD3 PRO 3 2HD PRO 3 4.149 -5.480 -5.343
23 H ILE 4 H ILE 4 5.226 -4.060 -1.946
24 HA ILE 4 HA ILE 4 5.885 -4.383 0.685
25 HB ILE 4 HB ILE 4 5.710 -1.680 -0.644
26 HG12 ILE 4 1HG1 ILE 4 6.865 -3.121 -2.174
27 HG13 ILE 4 2HG1 ILE 4 8.081 -2.158 -1.341
28 HG21 ILE 4 1HG2 ILE 4 7.320 -2.788 1.637
29 HG22 ILE 4 2HG2 ILE 4 7.781 -1.316 0.784
30 HG23 ILE 4 3HG2 ILE 4 6.236 -1.397 1.631
31 HD11 ILE 4 3HD1 ILE 4 7.667 -5.040 -1.375
32 HD12 ILE 4 1HD1 ILE 4 9.118 -4.102 -1.025
33 HD13 ILE 4 2HD1 ILE 4 7.919 -4.377 0.239
34 H CYS 5 H CYS 5 5.365 -3.186 2.617
35 HA CYS 5 HA CYS 5 2.545 -2.330 2.685
36 HB2 CYS 5 1HB CYS 5 4.075 -4.170 4.361
37 HB3 CYS 5 2HB CYS 5 3.233 -2.939 5.297
38 H LYS 6 H LYS 6 2.011 -0.449 3.714
39 HA LYS 6 HA LYS 6 3.900 0.999 5.325
40 HB2 LYS 6 1HB LYS 6 3.538 1.635 2.466
41 HB3 LYS 6 2HB LYS 6 3.432 3.011 3.557
42 HG2 LYS 6 1HG LYS 6 5.643 3.111 3.491
43 HG3 LYS 6 2HG LYS 6 5.668 1.611 4.422
44 HD2 LYS 6 1HD LYS 6 5.546 0.372 2.241
45 HD3 LYS 6 2HD LYS 6 5.781 1.919 1.425
46 HE2 LYS 6 1HE LYS 6 7.684 0.960 3.537
47 HE3 LYS 6 2HE LYS 6 7.839 0.437 1.861
48 HZ1 LYS 6 3HZ LYS 6 9.186 2.428 2.493
49 HZ2 LYS 6 1HZ LYS 6 7.739 3.289 2.660
50 HZ3 LYS 6 2HZ LYS 6 8.175 2.653 1.155
51 H ARG 7 H ARG 7 2.920 2.517 6.600
52 HA ARG 7 HA ARG 7 0.009 2.550 6.521
53 HB2 ARG 7 1HB ARG 7 1.066 2.088 8.662
54 HB3 ARG 7 2HB ARG 7 1.968 3.595 8.571
55 HG2 ARG 7 1HG ARG 7 0.202 4.010 10.052
56 HG3 ARG 7 2HG ARG 7 -0.276 4.771 8.533
57 HD2 ARG 7 1HD ARG 7 -1.170 2.061 8.538
58 HD3 ARG 7 2HD ARG 7 -1.675 2.832 10.041
59 HE ARG 7 HE ARG 7 -2.686 3.349 7.419
60 HH11 ARG 7 1HH1 ARG 7 -2.097 4.764 10.545
61 HH12 ARG 7 2HH1 ARG 7 -3.338 5.962 10.381
62 HH21 ARG 7 1HH2 ARG 7 -4.323 4.922 7.191
63 HH22 ARG 7 2HH2 ARG 7 -4.604 6.050 8.474
64 H ASN 8 H ASN 8 2.329 5.114 7.361
65 HA ASN 8 HA ASN 8 0.606 7.043 6.000
66 HB2 ASN 8 1HB ASN 8 2.732 7.233 8.099
67 HB3 ASN 8 2HB ASN 8 2.369 8.651 7.120
68 HD21 ASN 8 2HD2 ASN 8 0.832 6.180 9.127
69 HD22 ASN 8 1HD2 ASN 8 -0.409 7.208 9.749
70 H GLY 9 H GLY 9 2.295 5.189 4.497
71 HA2 GLY 9 1HA GLY 9 3.385 5.416 2.458
72 HA3 GLY 9 2HA GLY 9 3.528 7.141 2.760
73 H LEU 10 H LEU 10 4.586 5.121 5.304
74 HA LEU 10 HA LEU 10 7.376 5.326 4.399
75 HB2 LEU 10 1HB LEU 10 6.438 5.890 7.206
76 HB3 LEU 10 2HB LEU 10 8.086 6.015 6.595
77 HG LEU 10 HG LEU 10 6.141 7.711 5.196
78 HD11 LEU 10 1HD1 LEU 10 5.500 9.095 6.868
79 HD12 LEU 10 2HD1 LEU 10 6.936 8.771 7.840
80 HD13 LEU 10 3HD1 LEU 10 5.612 7.607 7.808
81 HD21 LEU 10 3HD2 LEU 10 8.130 9.311 6.048
82 HD22 LEU 10 1HD2 LEU 10 8.227 8.321 4.592
83 HD23 LEU 10 2HD2 LEU 10 8.949 7.749 6.096
84 HA PRO 11 HA PRO 11 7.779 1.127 5.619
85 HB2 PRO 11 1HB PRO 11 10.399 1.049 6.328
86 HB3 PRO 11 2HB PRO 11 9.861 1.175 4.649
87 HG2 PRO 11 1HG PRO 11 10.818 3.326 6.498
88 HG3 PRO 11 2HG PRO 11 11.206 3.068 4.787
89 HD2 PRO 11 1HD PRO 11 9.386 4.897 5.608
90 HD3 PRO 11 2HD PRO 11 9.240 4.030 4.066
91 H VAL 12 H VAL 12 6.337 1.684 7.522
92 HA VAL 12 HA VAL 12 7.858 1.455 10.039
93 HB VAL 12 HB VAL 12 6.059 2.565 11.203
94 HG11 VAL 12 1HG1 VAL 12 6.920 4.066 8.733
95 HG12 VAL 12 2HG1 VAL 12 6.185 4.807 10.157
96 HG13 VAL 12 3HG1 VAL 12 7.755 4.012 10.286
97 HG21 VAL 12 3HG2 VAL 12 4.189 1.736 9.875
98 HG22 VAL 12 1HG2 VAL 12 4.127 3.493 10.019
99 HG23 VAL 12 2HG2 VAL 12 4.688 2.750 8.521
100 H CYS 13 H CYS 13 6.883 -0.664 8.211
101 HA CYS 13 HA CYS 13 5.309 -2.151 10.194
102 HB2 CYS 13 1HB CYS 13 4.802 -2.397 7.231
103 HB3 CYS 13 2HB CYS 13 3.833 -3.037 8.555
104 H GLY 14 H GLY 14 7.397 -2.272 7.340
105 HA2 GLY 14 1HA GLY 14 9.033 -3.766 6.733
106 HA3 GLY 14 2HA GLY 14 9.039 -4.303 8.407
107 H GLU 15 H GLU 15 6.326 -4.425 6.147
108 HA GLU 15 HA GLU 15 6.548 -7.358 6.122
109 HB2 GLU 15 1HB GLU 15 3.810 -6.760 5.990
110 HB3 GLU 15 2HB GLU 15 4.672 -7.524 7.318
111 HG2 GLU 15 1HG GLU 15 5.116 -5.304 8.278
112 HG3 GLU 15 2HG GLU 15 4.180 -4.575 6.974
113 H THR 16 H THR 16 4.907 -8.266 4.442
114 HA THR 16 HA THR 16 4.695 -6.524 2.099
115 HB THR 16 HB THR 16 5.542 -8.434 0.660
116 HG1 THR 16 HG1 THR 16 5.585 -10.133 2.089
117 HG21 THR 16 3HG2 THR 16 6.826 -6.311 1.514
118 HG22 THR 16 1HG2 THR 16 7.689 -7.594 0.668
119 HG23 THR 16 2HG2 THR 16 7.759 -7.496 2.428
120 H CYS 17 H CYS 17 2.601 -6.571 1.620
121 HA CYS 17 HA CYS 17 1.000 -8.927 2.180
122 HB2 CYS 17 1HB CYS 17 -0.904 -7.509 1.488
123 HB3 CYS 17 2HB CYS 17 0.068 -6.750 2.744
124 H THR 18 H THR 18 0.250 -10.343 0.715
125 HA THR 18 HA THR 18 0.791 -9.784 -2.129
126 HB THR 18 HB THR 18 0.824 -12.443 -2.179
127 HG1 THR 18 HG1 THR 18 2.110 -13.011 -0.193
128 HG21 THR 18 3HG2 THR 18 2.623 -10.930 -2.935
129 HG22 THR 18 1HG2 THR 18 3.250 -12.356 -2.109
130 HG23 THR 18 2HG2 THR 18 3.194 -10.805 -1.271
131 H LEU 19 H LEU 19 -1.653 -9.577 -0.281
132 HA LEU 19 HA LEU 19 -3.482 -10.970 -2.108
133 HB2 LEU 19 1HB LEU 19 -4.866 -10.975 0.249
134 HB3 LEU 19 2HB LEU 19 -4.019 -12.355 -0.447
135 HG LEU 19 HG LEU 19 -2.033 -11.752 0.929
136 HD11 LEU 19 1HD1 LEU 19 -3.373 -10.192 2.901
137 HD12 LEU 19 2HD1 LEU 19 -3.500 -9.376 1.343
138 HD13 LEU 19 3HD1 LEU 19 -1.915 -9.809 1.985
139 HD21 LEU 19 3HD2 LEU 19 -2.804 -12.849 2.822
140 HD22 LEU 19 1HD2 LEU 19 -3.951 -13.357 1.582
141 HD23 LEU 19 2HD2 LEU 19 -4.398 -12.098 2.733
142 H GLY 20 H GLY 20 -2.437 -8.101 -1.179
143 HA2 GLY 20 1HA GLY 20 -3.385 -6.032 -1.709
144 HA3 GLY 20 2HA GLY 20 -4.956 -6.809 -1.835
145 H THR 21 H THR 21 -2.754 -7.023 0.908
146 HA THR 21 HA THR 21 -3.833 -5.003 2.499
147 HB THR 21 HB THR 21 -5.948 -6.090 2.506
148 HG1 THR 21 HG1 THR 21 -5.603 -5.478 4.567
149 HG21 THR 21 3HG2 THR 21 -5.137 -8.292 1.697
150 HG22 THR 21 1HG2 THR 21 -6.280 -8.426 3.032
151 HG23 THR 21 2HG2 THR 21 -4.554 -8.641 3.324
152 H CYS 22 H CYS 22 -2.615 -4.759 4.292
153 HA CYS 22 HA CYS 22 -0.305 -6.311 4.655
154 HB2 CYS 22 1HB CYS 22 -1.256 -3.881 5.608
155 HB3 CYS 22 2HB CYS 22 -1.123 -4.875 7.055
156 H SER 23 H SER 23 0.158 -7.008 7.128
157 HA SER 23 HA SER 23 -1.817 -9.112 7.659
158 HB2 SER 23 1HB SER 23 0.976 -9.175 7.461
159 HB3 SER 23 2HB SER 23 0.637 -9.346 9.184
160 HG SER 23 HG SER 23 0.610 -11.374 8.230
161 H THR 24 H THR 24 0.110 -6.626 9.287
162 HA THR 24 HA THR 24 -0.890 -7.077 11.884
163 HB THR 24 HB THR 24 1.163 -5.714 11.258
164 HG1 THR 24 HG1 THR 24 1.011 -4.734 13.182
165 HG21 THR 24 3HG2 THR 24 -0.357 -3.225 11.250
166 HG22 THR 24 1HG2 THR 24 -0.645 -4.213 9.818
167 HG23 THR 24 2HG2 THR 24 0.998 -3.725 10.237
168 H GLN 25 H GLN 25 -1.855 -4.778 12.896
169 HA GLN 25 HA GLN 25 -4.379 -4.366 11.432
170 HB2 GLN 25 1HB GLN 25 -4.454 -5.680 13.631
171 HB3 GLN 25 2HB GLN 25 -4.089 -4.152 14.421
172 HG2 GLN 25 1HG GLN 25 -6.117 -3.184 13.705
173 HG3 GLN 25 2HG GLN 25 -6.426 -4.497 12.570
174 HE21 GLN 25 2HE2 GLN 25 -6.701 -3.400 15.805
175 HE22 GLN 25 1HE2 GLN 25 -7.552 -4.765 16.434
176 H GLY 26 H GLY 26 -2.303 -2.729 10.808
177 HA2 GLY 26 1HA GLY 26 -3.352 -0.167 11.287
178 HA3 GLY 26 2HA GLY 26 -2.001 -0.422 12.382
179 H CYS 27 H CYS 27 -2.172 -1.804 9.166
180 HA CYS 27 HA CYS 27 -0.308 0.206 8.148
181 HB2 CYS 27 1HB CYS 27 0.252 -2.737 8.414
182 HB3 CYS 27 2HB CYS 27 1.037 -1.776 7.164
183 H THR 28 H THR 28 -0.133 0.241 5.843
184 HA THR 28 HA THR 28 -2.385 -1.097 4.488
185 HB THR 28 HB THR 28 -1.403 1.259 3.099
186 HG1 THR 28 HG1 THR 28 -2.103 1.459 5.818
187 HG21 THR 28 3HG2 THR 28 -3.961 1.793 3.578
188 HG22 THR 28 1HG2 THR 28 -3.988 0.074 3.968
189 HG23 THR 28 2HG2 THR 28 -3.470 0.608 2.369
190 H CYS 29 H CYS 29 -1.817 -0.559 1.894
191 HA CYS 29 HA CYS 29 0.829 -1.785 1.468
192 HB2 CYS 29 1HB CYS 29 -1.777 -2.375 0.054
193 HB3 CYS 29 2HB CYS 29 -0.208 -2.940 -0.512
Start of MODEL 20
1 H1 SER 1 H SER 1 1.610 0.113 0.784
2 HA SER 1 HA SER 1 1.581 0.544 -2.082
3 HB2 SER 1 1HB SER 1 3.123 1.699 -0.334
4 HB3 SER 1 2HB SER 1 4.077 0.219 -0.437
5 HG SER 1 HG SER 1 3.980 2.292 -2.145
6 H TRP 2 H TRP 2 0.544 -1.834 -1.885
7 HA TRP 2 HA TRP 2 1.997 -4.112 -1.529
8 HB2 TRP 2 1HB TRP 2 -0.362 -4.152 -2.138
9 HB3 TRP 2 2HB TRP 2 0.019 -3.547 -3.748
10 HD1 TRP 2 HD1 TRP 2 -0.278 -6.721 -1.780
11 HE1 TRP 2 HE1 TRP 2 0.307 -8.732 -3.276
12 HE3 TRP 2 HE3 TRP 2 1.682 -4.213 -5.780
13 HZ2 TRP 2 HZ2 TRP 2 1.449 -9.194 -5.816
14 HZ3 TRP 2 HZ3 TRP 2 2.499 -5.513 -7.703
15 HH2 TRP 2 HH2 TRP 2 2.384 -7.952 -7.718
16 HA PRO 3 HA PRO 3 2.608 -6.070 -2.180
17 HB2 PRO 3 1HB PRO 3 5.107 -7.049 -1.769
18 HB3 PRO 3 2HB PRO 3 4.133 -7.464 -3.185
19 HG2 PRO 3 1HG PRO 3 6.337 -5.455 -2.924
20 HG3 PRO 3 2HG PRO 3 6.028 -6.613 -4.231
21 HD2 PRO 3 1HD PRO 3 5.350 -3.998 -4.412
22 HD3 PRO 3 2HD PRO 3 4.411 -5.284 -5.197
23 H ILE 4 H ILE 4 5.490 -4.027 -1.721
24 HA ILE 4 HA ILE 4 5.944 -4.282 0.949
25 HB ILE 4 HB ILE 4 5.931 -1.606 -0.445
26 HG12 ILE 4 1HG1 ILE 4 7.145 -3.104 -1.868
27 HG13 ILE 4 2HG1 ILE 4 8.331 -2.163 -0.970
28 HG21 ILE 4 1HG2 ILE 4 7.350 -2.704 1.963
29 HG22 ILE 4 2HG2 ILE 4 7.918 -1.270 1.109
30 HG23 ILE 4 3HG2 ILE 4 6.317 -1.279 1.849
31 HD11 ILE 4 3HD1 ILE 4 9.264 -4.186 -0.676
32 HD12 ILE 4 1HD1 ILE 4 8.114 -4.276 0.658
33 HD13 ILE 4 2HD1 ILE 4 7.737 -5.043 -0.885
34 H CYS 5 H CYS 5 5.334 -3.017 2.813
35 HA CYS 5 HA CYS 5 2.574 -1.994 2.657
36 HB2 CYS 5 1HB CYS 5 3.794 -3.992 4.438
37 HB3 CYS 5 2HB CYS 5 2.847 -2.762 5.270
38 H LYS 6 H LYS 6 2.086 -0.138 3.768
39 HA LYS 6 HA LYS 6 4.074 1.087 5.494
40 HB2 LYS 6 1HB LYS 6 3.259 2.226 2.831
41 HB3 LYS 6 2HB LYS 6 3.829 3.262 4.134
42 HG2 LYS 6 1HG LYS 6 5.858 2.912 3.288
43 HG3 LYS 6 2HG LYS 6 5.756 1.322 4.046
44 HD2 LYS 6 1HD LYS 6 5.099 0.289 2.037
45 HD3 LYS 6 2HD LYS 6 4.708 1.833 1.276
46 HE2 LYS 6 1HE LYS 6 7.202 2.375 1.575
47 HE3 LYS 6 2HE LYS 6 7.403 0.646 1.854
48 HZ1 LYS 6 3HZ LYS 6 6.396 1.979 -0.594
49 HZ2 LYS 6 1HZ LYS 6 6.247 0.314 -0.328
50 HZ3 LYS 6 2HZ LYS 6 7.780 1.021 -0.430
51 H ARG 7 H ARG 7 3.146 2.229 7.088
52 HA ARG 7 HA ARG 7 0.305 2.256 7.325
53 HB2 ARG 7 1HB ARG 7 1.566 1.991 9.328
54 HB3 ARG 7 2HB ARG 7 2.518 3.433 9.000
55 HG2 ARG 7 1HG ARG 7 0.978 4.805 9.877
56 HG3 ARG 7 2HG ARG 7 -0.371 3.890 9.202
57 HD2 ARG 7 1HD ARG 7 -0.717 2.864 11.143
58 HD3 ARG 7 2HD ARG 7 0.965 2.340 11.215
59 HE ARG 7 HE ARG 7 -0.219 4.584 12.580
60 HH11 ARG 7 1HH1 ARG 7 2.729 3.153 11.405
61 HH12 ARG 7 2HH1 ARG 7 3.743 4.013 12.516
62 HH21 ARG 7 1HH2 ARG 7 1.105 5.723 14.047
63 HH22 ARG 7 2HH2 ARG 7 2.818 5.474 14.019
64 H ASN 8 H ASN 8 2.461 5.054 7.740
65 HA ASN 8 HA ASN 8 0.398 6.746 6.543
66 HB2 ASN 8 1HB ASN 8 2.607 7.165 8.475
67 HB3 ASN 8 2HB ASN 8 2.255 8.509 7.393
68 HD21 ASN 8 2HD2 ASN 8 0.093 6.119 8.843
69 HD22 ASN 8 1HD2 ASN 8 -0.882 7.261 9.698
70 H GLY 9 H GLY 9 2.321 4.964 5.049
71 HA2 GLY 9 1HA GLY 9 2.985 5.294 2.799
72 HA3 GLY 9 2HA GLY 9 3.158 7.012 3.129
73 H LEU 10 H LEU 10 4.509 4.924 5.474
74 HA LEU 10 HA LEU 10 7.179 5.215 4.273
75 HB2 LEU 10 1HB LEU 10 6.556 5.557 7.200
76 HB3 LEU 10 2HB LEU 10 8.118 5.776 6.413
77 HG LEU 10 HG LEU 10 5.984 7.507 5.381
78 HD11 LEU 10 1HD1 LEU 10 5.522 8.751 7.216
79 HD12 LEU 10 2HD1 LEU 10 7.067 8.396 7.987
80 HD13 LEU 10 3HD1 LEU 10 5.770 7.202 8.021
81 HD21 LEU 10 3HD2 LEU 10 8.877 7.568 5.947
82 HD22 LEU 10 1HD2 LEU 10 8.024 9.103 6.108
83 HD23 LEU 10 2HD2 LEU 10 7.969 8.220 4.582
84 HA PRO 11 HA PRO 11 7.770 0.952 5.144
85 HB2 PRO 11 1HB PRO 11 10.450 0.881 5.571
86 HB3 PRO 11 2HB PRO 11 9.738 1.112 3.970
87 HG2 PRO 11 1HG PRO 11 10.852 3.149 5.860
88 HG3 PRO 11 2HG PRO 11 11.063 3.018 4.104
89 HD2 PRO 11 1HD PRO 11 9.314 4.747 5.237
90 HD3 PRO 11 2HD PRO 11 9.019 3.986 3.660
91 H VAL 12 H VAL 12 6.527 1.342 7.221
92 HA VAL 12 HA VAL 12 8.301 0.849 9.522
93 HB VAL 12 HB VAL 12 6.771 2.018 10.982
94 HG11 VAL 12 1HG1 VAL 12 7.166 4.273 10.276
95 HG12 VAL 12 2HG1 VAL 12 8.546 3.291 9.782
96 HG13 VAL 12 3HG1 VAL 12 7.332 3.769 8.595
97 HG21 VAL 12 3HG2 VAL 12 4.947 1.661 8.831
98 HG22 VAL 12 1HG2 VAL 12 4.631 2.279 10.453
99 HG23 VAL 12 2HG2 VAL 12 5.083 3.389 9.159
100 H CYS 13 H CYS 13 6.740 -0.904 7.606
101 HA CYS 13 HA CYS 13 5.181 -2.356 9.643
102 HB2 CYS 13 1HB CYS 13 4.679 -2.528 6.675
103 HB3 CYS 13 2HB CYS 13 3.638 -3.071 7.987
104 H GLY 14 H GLY 14 7.363 -2.592 6.886
105 HA2 GLY 14 1HA GLY 14 8.724 -4.293 6.154
106 HA3 GLY 14 2HA GLY 14 8.866 -4.697 7.858
107 H GLU 15 H GLU 15 5.838 -4.811 6.099
108 HA GLU 15 HA GLU 15 5.982 -7.746 6.055
109 HB2 GLU 15 1HB GLU 15 3.572 -7.780 6.780
110 HB3 GLU 15 2HB GLU 15 4.716 -7.285 8.019
111 HG2 GLU 15 1HG GLU 15 4.150 -4.890 7.313
112 HG3 GLU 15 2HG GLU 15 2.765 -5.606 6.492
113 H THR 16 H THR 16 6.416 -7.406 3.787
114 HA THR 16 HA THR 16 4.758 -6.040 2.011
115 HB THR 16 HB THR 16 5.733 -7.381 0.239
116 HG1 THR 16 HG1 THR 16 6.980 -9.212 0.741
117 HG21 THR 16 3HG2 THR 16 8.013 -7.157 2.139
118 HG22 THR 16 1HG2 THR 16 7.107 -5.696 1.749
119 HG23 THR 16 2HG2 THR 16 7.884 -6.622 0.464
120 H CYS 17 H CYS 17 2.638 -6.320 1.786
121 HA CYS 17 HA CYS 17 1.340 -8.809 2.367
122 HB2 CYS 17 1HB CYS 17 -0.718 -7.622 1.652
123 HB3 CYS 17 2HB CYS 17 0.199 -6.726 2.858
124 H THR 18 H THR 18 0.455 -10.281 0.979
125 HA THR 18 HA THR 18 1.021 -9.897 -1.889
126 HB THR 18 HB THR 18 1.099 -12.522 -1.846
127 HG1 THR 18 HG1 THR 18 2.167 -12.029 0.727
128 HG21 THR 18 3HG2 THR 18 3.293 -10.646 -1.001
129 HG22 THR 18 1HG2 THR 18 2.993 -11.337 -2.595
130 HG23 THR 18 2HG2 THR 18 3.587 -12.361 -1.287
131 H LEU 19 H LEU 19 -1.428 -9.614 -0.034
132 HA LEU 19 HA LEU 19 -3.259 -11.038 -1.827
133 HB2 LEU 19 1HB LEU 19 -4.608 -11.067 0.558
134 HB3 LEU 19 2HB LEU 19 -3.785 -12.439 -0.181
135 HG LEU 19 HG LEU 19 -1.765 -11.868 1.160
136 HD11 LEU 19 1HD1 LEU 19 -3.107 -10.327 3.170
137 HD12 LEU 19 2HD1 LEU 19 -3.166 -9.484 1.622
138 HD13 LEU 19 3HD1 LEU 19 -1.614 -9.974 2.300
139 HD21 LEU 19 3HD2 LEU 19 -2.616 -12.774 3.239
140 HD22 LEU 19 1HD2 LEU 19 -3.375 -13.587 1.871
141 HD23 LEU 19 2HD2 LEU 19 -4.266 -12.361 2.772
142 H GLY 20 H GLY 20 -2.244 -8.177 -1.124
143 HA2 GLY 20 1HA GLY 20 -3.205 -6.108 -1.521
144 HA3 GLY 20 2HA GLY 20 -4.764 -6.902 -1.680
145 H THR 21 H THR 21 -2.588 -7.096 1.089
146 HA THR 21 HA THR 21 -3.750 -5.118 2.681
147 HB THR 21 HB THR 21 -5.817 -6.321 2.641
148 HG1 THR 21 HG1 THR 21 -5.968 -6.011 4.722
149 HG21 THR 21 3HG2 THR 21 -6.029 -8.656 3.242
150 HG22 THR 21 1HG2 THR 21 -4.298 -8.765 3.557
151 HG23 THR 21 2HG2 THR 21 -4.880 -8.498 1.914
152 H CYS 22 H CYS 22 -2.551 -4.834 4.481
153 HA CYS 22 HA CYS 22 -0.217 -6.393 4.858
154 HB2 CYS 22 1HB CYS 22 -1.469 -4.325 6.678
155 HB3 CYS 22 2HB CYS 22 0.167 -4.958 6.828
156 H SER 23 H SER 23 0.201 -6.797 7.466
157 HA SER 23 HA SER 23 -1.986 -8.537 8.384
158 HB2 SER 23 1HB SER 23 0.926 -9.230 8.051
159 HB3 SER 23 2HB SER 23 -0.097 -10.100 9.194
160 HG SER 23 HG SER 23 -0.138 -10.090 6.408
161 H THR 24 H THR 24 -1.084 -5.839 9.171
162 HA THR 24 HA THR 24 -0.399 -6.413 11.981
163 HB THR 24 HB THR 24 1.411 -5.201 10.799
164 HG1 THR 24 HG1 THR 24 1.281 -4.774 12.973
165 HG21 THR 24 3HG2 THR 24 0.180 -2.613 10.707
166 HG22 THR 24 1HG2 THR 24 -0.732 -3.738 9.703
167 HG23 THR 24 2HG2 THR 24 0.993 -3.502 9.420
168 H GLN 25 H GLN 25 -2.839 -5.494 9.994
169 HA GLN 25 HA GLN 25 -4.806 -4.369 10.237
170 HB2 GLN 25 1HB GLN 25 -4.426 -4.735 13.202
171 HB3 GLN 25 2HB GLN 25 -5.933 -4.681 12.298
172 HG2 GLN 25 1HG GLN 25 -5.330 -6.813 11.221
173 HG3 GLN 25 2HG GLN 25 -3.873 -6.873 12.213
174 HE21 GLN 25 2HE2 GLN 25 -7.383 -6.879 12.300
175 HE22 GLN 25 1HE2 GLN 25 -7.531 -7.688 13.820
176 H GLY 26 H GLY 26 -2.332 -2.794 10.292
177 HA2 GLY 26 1HA GLY 26 -3.506 -0.309 11.171
178 HA3 GLY 26 2HA GLY 26 -2.110 -0.800 12.119
179 H CYS 27 H CYS 27 -2.238 -1.662 8.773
180 HA CYS 27 HA CYS 27 -0.475 0.581 8.077
181 HB2 CYS 27 1HB CYS 27 0.105 -2.344 7.883
182 HB3 CYS 27 2HB CYS 27 0.744 -1.273 6.640
183 H THR 28 H THR 28 -0.011 0.400 5.568
184 HA THR 28 HA THR 28 -2.457 -0.397 4.157
185 HB THR 28 HB THR 28 -2.889 1.655 3.222
186 HG1 THR 28 HG1 THR 28 -1.329 3.196 2.821
187 HG21 THR 28 3HG2 THR 28 -3.032 1.740 5.760
188 HG22 THR 28 1HG2 THR 28 -2.961 3.292 4.926
189 HG23 THR 28 2HG2 THR 28 -1.520 2.647 5.713
190 H CYS 29 H CYS 29 -2.058 -1.419 2.300
191 HA CYS 29 HA CYS 29 0.602 -1.968 1.480
192 HB2 CYS 29 1HB CYS 29 -2.073 -2.508 0.186
193 HB3 CYS 29 2HB CYS 29 -0.546 -3.052 -0.502