Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
633957 | 6f61 RC | 34212 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 1.727 -0.819 -1.859
3 HA3 GLY 1 HA3 GLY 1 1.880 0.929 -1.766
4 H TYR 2 H TYR 2 3.765 1.841 -0.860
5 HA TYR 2 HA TYR 2 5.914 0.222 0.093
6 HB2 TYR 2 HB2 TYR 2 6.115 -0.334 -2.272
7 HB3 TYR 2 HB3 TYR 2 6.141 1.374 -2.696
8 HD1 TYR 2 HD1 TYR 2 7.948 -0.479 -0.008
9 HD2 TYR 2 HD2 TYR 2 8.240 1.797 -3.591
10 HE1 TYR 2 HE1 TYR 2 10.398 -0.469 0.205
11 HE2 TYR 2 HE2 TYR 2 10.691 1.812 -3.389
12 HH TYR 2 HH TYR 2 12.408 -0.190 -1.679
13 H CYS 3 H CYS 3 6.555 1.525 1.676
14 HA CYS 3 HA CYS 3 6.698 4.413 1.197
15 HB2 CYS 3 HB2 CYS 3 7.228 3.294 3.897
16 HB3 CYS 3 HB3 CYS 3 6.336 4.739 3.432
17 H ALA 4 H ALA 4 8.549 5.267 2.935
18 HA ALA 4 HA ALA 4 11.018 4.384 1.687
19 HB1 ALA 4 HB1 ALA 4 10.243 6.720 3.389
20 HB2 ALA 4 HB2 ALA 4 11.942 6.311 3.151
21 HB3 ALA 4 HB3 ALA 4 10.925 6.697 1.762
22 H THR 5 H THR 5 11.978 2.652 2.534
23 HA THR 5 HA THR 5 11.724 2.005 5.342
24 HB THR 5 HB THR 5 13.372 0.116 4.617
25 HG1 THR 5 HG1 THR 5 13.089 -0.287 2.303
26 HG21 THR 5 HG21 THR 5 11.075 -0.608 3.140
27 HG22 THR 5 HG22 THR 5 10.534 0.437 4.454
28 HG23 THR 5 HG23 THR 5 11.465 -1.018 4.810
29 H LYS 6 H LYS 6 13.828 1.211 6.443
30 HA LYS 6 HA LYS 6 15.415 3.342 7.101
31 HB2 LYS 6 HB2 LYS 6 16.796 1.850 8.262
32 HB3 LYS 6 HB3 LYS 6 15.245 1.022 8.199
33 HG2 LYS 6 HG2 LYS 6 16.046 -0.312 6.303
34 HG3 LYS 6 HG3 LYS 6 17.610 0.501 6.407
35 HD2 LYS 6 HD2 LYS 6 17.939 -0.377 8.652
36 HD3 LYS 6 HD3 LYS 6 16.348 -1.140 8.605
37 HE2 LYS 6 HE2 LYS 6 17.531 -2.099 6.328
38 HE3 LYS 6 HE3 LYS 6 18.890 -2.008 7.447
39 HZ1 LYS 6 HZ1 LYS 6 16.818 -3.104 8.888
40 HZ2 LYS 6 HZ2 LYS 6 18.175 -3.915 8.286
41 HZ3 LYS 6 HZ3 LYS 6 16.747 -3.869 7.380
42 H GLY 7 H GLY 7 17.251 4.288 6.358
43 HA2 GLY 7 HA2 GLY 7 19.199 4.513 5.077
44 HA3 GLY 7 HA3 GLY 7 18.785 3.030 4.229
45 H ILE 8 H ILE 8 15.980 4.449 4.033
46 HA ILE 8 HA ILE 8 16.574 5.642 1.438
47 HB ILE 8 HB ILE 8 13.872 5.088 2.664
48 HG12 ILE 8 HG12 ILE 8 15.225 3.026 2.404
49 HG13 ILE 8 HG13 ILE 8 13.827 3.053 1.335
50 HG21 ILE 8 HG21 ILE 8 14.805 6.199 0.101
51 HG22 ILE 8 HG22 ILE 8 13.517 4.999 -0.006
52 HG23 ILE 8 HG23 ILE 8 13.289 6.453 0.966
53 HD11 ILE 8 HD11 ILE 8 16.044 4.200 -0.030
54 HD12 ILE 8 HD12 ILE 8 16.529 2.653 0.666
55 HD13 ILE 8 HD13 ILE 8 15.136 2.737 -0.412
56 H LYS 9 H LYS 9 16.552 7.761 1.066
57 HA LYS 9 HA LYS 9 16.493 9.690 3.035
58 HB2 LYS 9 HB2 LYS 9 15.737 10.055 0.129
59 HB3 LYS 9 HB3 LYS 9 16.229 11.333 1.233
60 HG2 LYS 9 HG2 LYS 9 18.145 9.136 1.044
61 HG3 LYS 9 HG3 LYS 9 17.879 9.996 -0.474
62 HD2 LYS 9 HD2 LYS 9 18.456 12.091 0.538
63 HD3 LYS 9 HD3 LYS 9 18.512 11.356 2.142
64 HE2 LYS 9 HE2 LYS 9 20.322 9.820 1.073
65 HE3 LYS 9 HE3 LYS 9 20.435 11.099 -0.135
66 HZ1 LYS 9 HZ1 LYS 9 22.040 11.472 1.593
67 HZ2 LYS 9 HZ2 LYS 9 20.848 11.397 2.791
68 HZ3 LYS 9 HZ3 LYS 9 20.855 12.676 1.684
69 H CYS 10 H CYS 10 14.970 10.997 3.946
70 HA CYS 10 HA CYS 10 12.165 10.483 3.204
71 HB2 CYS 10 HB2 CYS 10 11.509 10.494 5.468
72 HB3 CYS 10 HB3 CYS 10 12.970 9.512 5.433
73 H ASN 11 H ASN 11 14.188 12.630 2.495
74 HA ASN 11 HA ASN 11 13.605 15.047 3.733
75 HB2 ASN 11 HB2 ASN 11 14.621 14.259 1.045
76 HB3 ASN 11 HB3 ASN 11 14.089 15.923 1.261
77 HD21 ASN 11 HD21 ASN 11 16.766 14.596 0.883
78 HD22 ASN 11 HD22 ASN 11 17.745 15.247 2.150
79 H ASP 12 H ASP 12 11.716 13.166 1.532
80 HA ASP 12 HA ASP 12 9.572 15.152 1.718
81 HB2 ASP 12 HB2 ASP 12 10.839 15.323 -0.501
82 HB3 ASP 12 HB3 ASP 12 10.155 13.746 -0.884
83 H ILE 13 H ILE 13 10.457 11.876 0.664
84 HA ILE 13 HA ILE 13 7.782 10.881 0.880
85 HB ILE 13 HB ILE 13 9.511 9.899 -0.635
86 HG12 ILE 13 HG12 ILE 13 8.791 7.597 1.045
87 HG13 ILE 13 HG13 ILE 13 7.446 8.678 0.694
88 HG21 ILE 13 HG21 ILE 13 10.619 8.666 1.881
89 HG22 ILE 13 HG22 ILE 13 11.204 8.439 0.233
90 HG23 ILE 13 HG23 ILE 13 11.366 10.010 1.017
91 HD11 ILE 13 HD11 ILE 13 7.219 7.541 -1.196
92 HD12 ILE 13 HD12 ILE 13 8.676 8.367 -1.750
93 HD13 ILE 13 HD13 ILE 13 8.794 6.769 -1.014
94 H HIS 14 H HIS 14 6.866 9.634 2.475
95 HA HIS 14 HA HIS 14 8.148 9.818 5.094
96 HB2 HIS 14 HB2 HIS 14 5.320 9.301 4.200
97 HB3 HIS 14 HB3 HIS 14 5.828 9.000 5.859
98 HD1 HIS 14 HD1 HIS 14 6.800 11.958 3.697
99 HD2 HIS 14 HD2 HIS 14 4.636 11.093 7.136
100 HE1 HIS 14 HE1 HIS 14 6.159 14.188 4.667
101 H CYS 15 H CYS 15 8.166 7.994 6.541
102 HA CYS 15 HA CYS 15 8.760 5.518 5.129
103 HB2 CYS 15 HB2 CYS 15 9.024 5.808 8.095
104 HB3 CYS 15 HB3 CYS 15 10.023 4.895 6.968
105 H CYS 16 H CYS 16 7.907 3.477 5.795
106 HA CYS 16 HA CYS 16 5.118 3.463 6.146
107 HB2 CYS 16 HB2 CYS 16 7.266 1.426 6.018
108 HB3 CYS 16 HB3 CYS 16 5.770 0.929 6.803
109 H SER 17 H SER 17 3.863 2.612 7.894
110 HA SER 17 HA SER 17 4.340 3.744 10.359
111 HB2 SER 17 HB2 SER 17 2.718 1.248 9.802
112 HB3 SER 17 HB3 SER 17 2.578 2.270 11.232
113 HG SER 17 HG SER 17 2.246 3.976 9.432
114 H GLY 18 H GLY 18 6.074 3.417 11.597
115 HA2 GLY 18 HA2 GLY 18 6.747 1.654 13.323
116 HA3 GLY 18 HA3 GLY 18 7.072 0.660 11.910
117 H LEU 19 H LEU 19 7.934 3.364 10.624
118 HA LEU 19 HA LEU 19 10.657 3.316 11.747
119 HB2 LEU 19 HB2 LEU 19 9.730 3.843 8.930
120 HB3 LEU 19 HB3 LEU 19 11.386 4.075 9.486
121 HG LEU 19 HG LEU 19 9.952 1.424 9.539
122 HD11 LEU 19 HD11 LEU 19 11.252 0.851 7.561
123 HD12 LEU 19 HD12 LEU 19 11.902 2.489 7.501
124 HD13 LEU 19 HD13 LEU 19 10.180 2.214 7.239
125 HD21 LEU 19 HD21 LEU 19 12.910 1.873 9.588
126 HD22 LEU 19 HD22 LEU 19 11.982 0.476 10.134
127 HD23 LEU 19 HD23 LEU 19 11.963 1.970 11.073
128 H LYS 20 H LYS 20 11.857 5.318 11.687
129 HA LYS 20 HA LYS 20 10.094 7.664 11.933
130 HB2 LYS 20 HB2 LYS 20 12.712 6.993 13.275
131 HB3 LYS 20 HB3 LYS 20 11.994 8.597 13.332
132 HG2 LYS 20 HG2 LYS 20 10.107 7.801 14.534
133 HG3 LYS 20 HG3 LYS 20 10.574 6.119 14.272
134 HD2 LYS 20 HD2 LYS 20 11.258 6.524 16.458
135 HD3 LYS 20 HD3 LYS 20 12.738 6.762 15.526
136 HE2 LYS 20 HE2 LYS 20 12.613 8.561 17.061
137 HE3 LYS 20 HE3 LYS 20 12.179 9.218 15.484
138 HZ1 LYS 20 HZ1 LYS 20 10.742 9.869 17.452
139 HZ2 LYS 20 HZ2 LYS 20 10.123 8.296 17.398
140 HZ3 LYS 20 HZ3 LYS 20 9.937 9.324 16.068
141 H CYS 21 H CYS 21 10.707 9.631 11.023
142 HA CYS 21 HA CYS 21 12.564 9.380 8.780
143 HB2 CYS 21 HB2 CYS 21 10.450 10.243 8.123
144 HB3 CYS 21 HB3 CYS 21 10.416 11.383 9.464
145 H ASP 22 H ASP 22 14.580 9.610 9.679
146 HA ASP 22 HA ASP 22 15.310 11.468 11.645
147 HB2 ASP 22 HB2 ASP 22 16.594 9.412 10.627
148 HB3 ASP 22 HB3 ASP 22 17.263 10.624 9.539
149 H SER 23 H SER 23 14.808 13.568 11.385
150 HA SER 23 HA SER 23 14.970 14.917 8.872
151 HB2 SER 23 HB2 SER 23 14.691 16.981 10.442
152 HB3 SER 23 HB3 SER 23 13.359 15.836 10.288
153 HG SER 23 HG SER 23 14.445 16.583 12.497
154 H LYS 24 H LYS 24 17.261 14.067 11.193
155 HA LYS 24 HA LYS 24 19.029 16.315 10.740
156 HB2 LYS 24 HB2 LYS 24 19.441 13.721 12.238
157 HB3 LYS 24 HB3 LYS 24 20.601 15.042 12.185
158 HG2 LYS 24 HG2 LYS 24 18.540 16.430 13.067
159 HG3 LYS 24 HG3 LYS 24 18.013 14.841 13.627
160 HD2 LYS 24 HD2 LYS 24 20.823 15.626 14.173
161 HD3 LYS 24 HD3 LYS 24 19.556 16.432 15.100
162 HE2 LYS 24 HE2 LYS 24 19.470 14.664 16.441
163 HE3 LYS 24 HE3 LYS 24 18.907 13.697 15.078
164 HZ1 LYS 24 HZ1 LYS 24 21.111 13.137 16.416
165 HZ2 LYS 24 HZ2 LYS 24 21.776 14.169 15.252
166 HZ3 LYS 24 HZ3 LYS 24 20.934 12.783 14.771
167 H ARG 25 H ARG 25 18.877 12.883 9.876
168 HA ARG 25 HA ARG 25 21.172 13.251 8.086
169 HB2 ARG 25 HB2 ARG 25 19.790 10.734 9.033
170 HB3 ARG 25 HB3 ARG 25 21.159 10.771 7.930
171 HG2 ARG 25 HG2 ARG 25 22.087 12.243 10.032
172 HG3 ARG 25 HG3 ARG 25 21.077 11.039 10.835
173 HD2 ARG 25 HD2 ARG 25 22.427 9.315 10.244
174 HD3 ARG 25 HD3 ARG 25 22.870 10.051 8.704
175 HE ARG 25 HE ARG 25 24.677 11.028 9.725
176 HH11 ARG 25 HH11 ARG 25 22.493 9.817 12.151
177 HH12 ARG 25 HH12 ARG 25 23.591 10.091 13.462
178 HH21 ARG 25 HH21 ARG 25 26.131 11.394 11.443
179 HH22 ARG 25 HH22 ARG 25 25.660 10.990 13.059
180 H LYS 26 H LYS 26 17.968 13.643 7.916
181 HA LYS 26 HA LYS 26 16.386 13.586 6.277
182 HB2 LYS 26 HB2 LYS 26 18.827 13.654 4.494
183 HB3 LYS 26 HB3 LYS 26 17.187 14.056 4.002
184 HG2 LYS 26 HG2 LYS 26 17.158 15.987 5.391
185 HG3 LYS 26 HG3 LYS 26 18.674 15.523 6.166
186 HD2 LYS 26 HD2 LYS 26 19.207 15.591 3.413
187 HD3 LYS 26 HD3 LYS 26 18.243 17.030 3.754
188 HE2 LYS 26 HE2 LYS 26 19.810 17.547 5.623
189 HE3 LYS 26 HE3 LYS 26 20.811 16.194 5.097
190 HZ1 LYS 26 HZ1 LYS 26 20.084 18.406 3.272
191 HZ2 LYS 26 HZ2 LYS 26 21.322 17.267 3.098
192 HZ3 LYS 26 HZ3 LYS 26 21.449 18.482 4.269
193 H VAL 27 H VAL 27 16.958 11.079 7.307
194 HA VAL 27 HA VAL 27 16.195 9.409 5.055
195 HB VAL 27 HB VAL 27 17.833 7.621 5.745
196 HG11 VAL 27 HG11 VAL 27 18.165 8.871 3.709
197 HG12 VAL 27 HG12 VAL 27 18.917 10.194 4.604
198 HG13 VAL 27 HG13 VAL 27 19.721 8.626 4.502
199 HG21 VAL 27 HG21 VAL 27 19.624 9.686 6.871
200 HG22 VAL 27 HG22 VAL 27 18.315 9.125 7.911
201 HG23 VAL 27 HG23 VAL 27 19.481 7.972 7.261
202 H CYS 28 H CYS 28 15.462 7.245 5.764
203 HA CYS 28 HA CYS 28 13.920 7.489 8.198
204 HB2 CYS 28 HB2 CYS 28 14.043 5.339 6.076
205 HB3 CYS 28 HB3 CYS 28 12.973 5.276 7.473
206 H VAL 29 H VAL 29 14.114 6.266 10.033
207 HA VAL 29 HA VAL 29 16.357 4.368 10.168
208 HB VAL 29 HB VAL 29 16.827 5.219 12.486
209 HG11 VAL 29 HG11 VAL 29 17.438 7.591 10.951
210 HG12 VAL 29 HG12 VAL 29 18.519 6.342 11.573
211 HG13 VAL 29 HG13 VAL 29 17.722 6.124 10.015
212 HG21 VAL 29 HG21 VAL 29 14.504 6.541 12.304
213 HG22 VAL 29 HG22 VAL 29 15.814 7.043 13.373
214 HG23 VAL 29 HG23 VAL 29 15.607 7.824 11.806
215 H LYS 30 H LYS 30 16.255 3.150 12.352
216 HA LYS 30 HA LYS 30 13.790 1.760 12.438
217 HB2 LYS 30 HB2 LYS 30 15.968 0.722 12.977
218 HB3 LYS 30 HB3 LYS 30 16.066 1.711 14.428
219 HG2 LYS 30 HG2 LYS 30 13.848 0.622 15.094
220 HG3 LYS 30 HG3 LYS 30 14.199 -0.553 13.825
221 HD2 LYS 30 HD2 LYS 30 15.252 -1.644 15.498
222 HD3 LYS 30 HD3 LYS 30 16.565 -0.525 15.123
223 HE2 LYS 30 HE2 LYS 30 16.394 0.462 17.112
224 HE3 LYS 30 HE3 LYS 30 14.652 0.665 16.932
225 HZ1 LYS 30 HZ1 LYS 30 16.148 -1.448 18.272
226 HZ2 LYS 30 HZ2 LYS 30 14.736 -1.912 17.465
227 HZ3 LYS 30 HZ3 LYS 30 14.667 -0.742 18.685
228 H GLY 31 H GLY 31 12.088 1.862 13.830
229 HA2 GLY 31 HA2 GLY 31 11.760 4.308 15.314
230 HA3 GLY 31 HA3 GLY 31 10.575 3.021 15.144
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.460 2.305 -2.418
2 HA2 GLY 1 HA2 GLY 1 1.762 1.635 0.301
3 HA3 GLY 1 HA3 GLY 1 1.890 0.169 -0.659
4 H TYR 2 H TYR 2 4.061 -0.119 -0.074
5 HA TYR 2 HA TYR 2 6.319 0.095 -0.255
6 HB2 TYR 2 HB2 TYR 2 5.936 -0.218 -2.606
7 HB3 TYR 2 HB3 TYR 2 5.462 1.465 -2.808
8 HD1 TYR 2 HD1 TYR 2 7.023 2.911 -3.696
9 HD2 TYR 2 HD2 TYR 2 8.385 -0.524 -1.587
10 HE1 TYR 2 HE1 TYR 2 9.346 3.504 -4.244
11 HE2 TYR 2 HE2 TYR 2 10.713 0.060 -2.128
12 HH TYR 2 HH TYR 2 11.708 2.962 -3.078
13 H CYS 3 H CYS 3 6.622 1.405 1.559
14 HA CYS 3 HA CYS 3 6.745 4.300 1.111
15 HB2 CYS 3 HB2 CYS 3 7.249 3.157 3.806
16 HB3 CYS 3 HB3 CYS 3 6.350 4.599 3.345
17 H ALA 4 H ALA 4 8.564 5.134 2.908
18 HA ALA 4 HA ALA 4 11.058 4.294 1.676
19 HB1 ALA 4 HB1 ALA 4 10.987 6.595 1.771
20 HB2 ALA 4 HB2 ALA 4 10.216 6.613 3.358
21 HB3 ALA 4 HB3 ALA 4 11.927 6.210 3.214
22 H THR 5 H THR 5 12.010 2.553 2.516
23 HA THR 5 HA THR 5 11.727 1.878 5.314
24 HB THR 5 HB THR 5 13.381 -0.002 4.599
25 HG1 THR 5 HG1 THR 5 13.625 -0.284 2.444
26 HG21 THR 5 HG21 THR 5 10.548 0.322 4.369
27 HG22 THR 5 HG22 THR 5 11.470 -1.137 4.732
28 HG23 THR 5 HG23 THR 5 11.121 -0.707 3.058
29 H LYS 6 H LYS 6 13.827 1.073 6.425
30 HA LYS 6 HA LYS 6 15.394 3.202 7.133
31 HB2 LYS 6 HB2 LYS 6 15.317 1.080 8.372
32 HB3 LYS 6 HB3 LYS 6 16.230 0.296 7.090
33 HG2 LYS 6 HG2 LYS 6 17.825 2.429 7.744
34 HG3 LYS 6 HG3 LYS 6 17.148 1.950 9.302
35 HD2 LYS 6 HD2 LYS 6 18.873 0.493 9.297
36 HD3 LYS 6 HD3 LYS 6 17.785 -0.469 8.294
37 HE2 LYS 6 HE2 LYS 6 18.856 0.896 6.340
38 HE3 LYS 6 HE3 LYS 6 20.154 1.169 7.502
39 HZ1 LYS 6 HZ1 LYS 6 20.643 -0.757 6.182
40 HZ2 LYS 6 HZ2 LYS 6 19.154 -1.464 6.561
41 HZ3 LYS 6 HZ3 LYS 6 20.323 -1.255 7.766
42 H GLY 7 H GLY 7 17.160 4.228 6.367
43 HA2 GLY 7 HA2 GLY 7 19.150 4.455 5.129
44 HA3 GLY 7 HA3 GLY 7 18.733 3.002 4.233
45 H ILE 8 H ILE 8 15.944 4.199 3.895
46 HA ILE 8 HA ILE 8 16.549 5.552 1.408
47 HB ILE 8 HB ILE 8 13.825 4.998 2.579
48 HG12 ILE 8 HG12 ILE 8 15.158 2.919 2.396
49 HG13 ILE 8 HG13 ILE 8 13.802 2.942 1.274
50 HG21 ILE 8 HG21 ILE 8 13.236 6.272 0.835
51 HG22 ILE 8 HG22 ILE 8 14.822 6.135 0.078
52 HG23 ILE 8 HG23 ILE 8 13.628 4.856 -0.140
53 HD11 ILE 8 HD11 ILE 8 15.778 2.046 0.212
54 HD12 ILE 8 HD12 ILE 8 15.329 3.582 -0.531
55 HD13 ILE 8 HD13 ILE 8 16.679 3.510 0.602
56 H LYS 9 H LYS 9 16.571 7.679 1.114
57 HA LYS 9 HA LYS 9 16.446 9.552 3.132
58 HB2 LYS 9 HB2 LYS 9 15.765 10.031 0.225
59 HB3 LYS 9 HB3 LYS 9 16.287 11.246 1.385
60 HG2 LYS 9 HG2 LYS 9 18.151 9.029 1.188
61 HG3 LYS 9 HG3 LYS 9 17.899 9.849 -0.355
62 HD2 LYS 9 HD2 LYS 9 18.306 12.019 0.864
63 HD3 LYS 9 HD3 LYS 9 18.815 11.053 2.251
64 HE2 LYS 9 HE2 LYS 9 20.853 10.984 1.369
65 HE3 LYS 9 HE3 LYS 9 20.198 10.002 0.060
66 HZ1 LYS 9 HZ1 LYS 9 19.896 11.887 -1.281
67 HZ2 LYS 9 HZ2 LYS 9 21.433 12.079 -0.603
68 HZ3 LYS 9 HZ3 LYS 9 20.125 12.961 0.006
69 H CYS 10 H CYS 10 14.898 10.887 3.986
70 HA CYS 10 HA CYS 10 12.117 10.375 3.155
71 HB2 CYS 10 HB2 CYS 10 11.390 10.387 5.406
72 HB3 CYS 10 HB3 CYS 10 12.824 9.366 5.389
73 H ASN 11 H ASN 11 14.124 12.519 2.488
74 HA ASN 11 HA ASN 11 13.523 14.928 3.749
75 HB2 ASN 11 HB2 ASN 11 14.621 14.155 1.093
76 HB3 ASN 11 HB3 ASN 11 14.058 15.813 1.281
77 HD21 ASN 11 HD21 ASN 11 16.765 14.576 0.970
78 HD22 ASN 11 HD22 ASN 11 17.694 15.228 2.273
79 H ASP 12 H ASP 12 11.669 13.051 1.529
80 HA ASP 12 HA ASP 12 9.529 15.042 1.664
81 HB2 ASP 12 HB2 ASP 12 9.011 14.619 -0.761
82 HB3 ASP 12 HB3 ASP 12 10.502 15.512 -0.474
83 H ILE 13 H ILE 13 10.471 11.762 0.704
84 HA ILE 13 HA ILE 13 7.779 10.767 0.827
85 HB ILE 13 HB ILE 13 9.533 9.793 -0.661
86 HG12 ILE 13 HG12 ILE 13 8.776 7.495 1.019
87 HG13 ILE 13 HG13 ILE 13 7.444 8.568 0.605
88 HG21 ILE 13 HG21 ILE 13 10.603 8.552 1.868
89 HG22 ILE 13 HG22 ILE 13 11.215 8.334 0.229
90 HG23 ILE 13 HG23 ILE 13 11.360 9.902 1.023
91 HD11 ILE 13 HD11 ILE 13 8.395 8.336 -1.812
92 HD12 ILE 13 HD12 ILE 13 9.130 6.870 -1.161
93 HD13 ILE 13 HD13 ILE 13 7.378 7.071 -1.122
94 H HIS 14 H HIS 14 6.845 9.491 2.396
95 HA HIS 14 HA HIS 14 8.071 9.682 5.042
96 HB2 HIS 14 HB2 HIS 14 5.289 9.349 4.024
97 HB3 HIS 14 HB3 HIS 14 5.668 8.685 5.610
98 HD1 HIS 14 HD1 HIS 14 7.104 10.656 7.114
99 HD2 HIS 14 HD2 HIS 14 4.326 11.849 4.265
100 HE1 HIS 14 HE1 HIS 14 6.468 13.007 7.739
101 H CYS 15 H CYS 15 8.104 7.858 6.477
102 HA CYS 15 HA CYS 15 8.739 5.391 5.069
103 HB2 CYS 15 HB2 CYS 15 8.964 5.688 8.039
104 HB3 CYS 15 HB3 CYS 15 9.980 4.774 6.928
105 H CYS 16 H CYS 16 7.891 3.343 5.699
106 HA CYS 16 HA CYS 16 5.101 3.298 6.025
107 HB2 CYS 16 HB2 CYS 16 7.273 1.282 5.919
108 HB3 CYS 16 HB3 CYS 16 5.770 0.768 6.679
109 H SER 17 H SER 17 3.829 2.452 7.753
110 HA SER 17 HA SER 17 4.277 3.571 10.230
111 HB2 SER 17 HB2 SER 17 2.488 2.137 11.068
112 HB3 SER 17 HB3 SER 17 2.085 2.715 9.452
113 HG SER 17 HG SER 17 2.774 0.699 8.637
114 H GLY 18 H GLY 18 5.988 3.236 11.495
115 HA2 GLY 18 HA2 GLY 18 6.643 1.469 13.219
116 HA3 GLY 18 HA3 GLY 18 6.980 0.476 11.808
117 H LEU 19 H LEU 19 7.860 3.188 10.542
118 HA LEU 19 HA LEU 19 10.572 3.129 11.693
119 HB2 LEU 19 HB2 LEU 19 9.674 3.642 8.864
120 HB3 LEU 19 HB3 LEU 19 11.323 3.893 9.434
121 HG LEU 19 HG LEU 19 9.911 1.229 9.484
122 HD11 LEU 19 HD11 LEU 19 11.232 0.655 7.527
123 HD12 LEU 19 HD12 LEU 19 11.897 2.288 7.476
124 HD13 LEU 19 HD13 LEU 19 10.177 2.027 7.183
125 HD21 LEU 19 HD21 LEU 19 11.866 1.760 11.062
126 HD22 LEU 19 HD22 LEU 19 12.863 1.746 9.607
127 HD23 LEU 19 HD23 LEU 19 11.967 0.301 10.077
128 H LYS 20 H LYS 20 11.739 5.102 11.794
129 HA LYS 20 HA LYS 20 9.990 7.458 11.970
130 HB2 LYS 20 HB2 LYS 20 12.388 6.546 13.477
131 HB3 LYS 20 HB3 LYS 20 12.177 8.279 13.265
132 HG2 LYS 20 HG2 LYS 20 9.759 7.794 14.126
133 HG3 LYS 20 HG3 LYS 20 10.507 6.337 14.785
134 HD2 LYS 20 HD2 LYS 20 12.276 7.936 15.753
135 HD3 LYS 20 HD3 LYS 20 11.105 9.211 15.412
136 HE2 LYS 20 HE2 LYS 20 9.492 8.222 16.858
137 HE3 LYS 20 HE3 LYS 20 10.455 6.755 17.029
138 HZ1 LYS 20 HZ1 LYS 20 11.928 9.065 17.802
139 HZ2 LYS 20 HZ2 LYS 20 11.598 7.660 18.684
140 HZ3 LYS 20 HZ3 LYS 20 10.491 8.940 18.687
141 H CYS 21 H CYS 21 10.569 9.405 11.028
142 HA CYS 21 HA CYS 21 12.490 9.174 8.837
143 HB2 CYS 21 HB2 CYS 21 10.383 9.985 8.108
144 HB3 CYS 21 HB3 CYS 21 10.272 11.124 9.446
145 H ASP 22 H ASP 22 14.483 9.478 9.744
146 HA ASP 22 HA ASP 22 15.119 11.368 11.721
147 HB2 ASP 22 HB2 ASP 22 16.471 9.326 10.726
148 HB3 ASP 22 HB3 ASP 22 17.160 10.570 9.687
149 H SER 23 H SER 23 14.588 13.454 11.425
150 HA SER 23 HA SER 23 14.771 14.776 8.900
151 HB2 SER 23 HB2 SER 23 13.189 15.333 10.846
152 HB3 SER 23 HB3 SER 23 14.567 16.161 11.571
153 HG SER 23 HG SER 23 14.672 17.273 9.427
154 H LYS 24 H LYS 24 17.034 14.000 11.273
155 HA LYS 24 HA LYS 24 18.768 16.276 10.823
156 HB2 LYS 24 HB2 LYS 24 18.974 13.769 12.472
157 HB3 LYS 24 HB3 LYS 24 20.371 14.809 12.225
158 HG2 LYS 24 HG2 LYS 24 18.661 16.667 13.027
159 HG3 LYS 24 HG3 LYS 24 17.911 15.274 13.810
160 HD2 LYS 24 HD2 LYS 24 20.010 14.747 14.923
161 HD3 LYS 24 HD3 LYS 24 20.802 16.093 14.101
162 HE2 LYS 24 HE2 LYS 24 19.538 17.691 15.291
163 HE3 LYS 24 HE3 LYS 24 18.397 16.475 15.863
164 HZ1 LYS 24 HZ1 LYS 24 19.641 16.526 17.704
165 HZ2 LYS 24 HZ2 LYS 24 20.968 17.233 16.931
166 HZ3 LYS 24 HZ3 LYS 24 20.728 15.562 16.837
167 H ARG 25 H ARG 25 18.682 12.836 9.987
168 HA ARG 25 HA ARG 25 21.012 13.218 8.246
169 HB2 ARG 25 HB2 ARG 25 19.648 10.717 9.251
170 HB3 ARG 25 HB3 ARG 25 20.967 10.711 8.088
171 HG2 ARG 25 HG2 ARG 25 22.151 12.138 9.975
172 HG3 ARG 25 HG3 ARG 25 21.000 11.274 10.997
173 HD2 ARG 25 HD2 ARG 25 22.447 9.638 9.017
174 HD3 ARG 25 HD3 ARG 25 23.428 10.317 10.315
175 HE ARG 25 HE ARG 25 21.486 8.218 10.533
176 HH11 ARG 25 HH11 ARG 25 23.117 10.776 12.240
177 HH12 ARG 25 HH12 ARG 25 22.903 10.049 13.798
178 HH21 ARG 25 HH21 ARG 25 21.198 7.251 12.578
179 HH22 ARG 25 HH22 ARG 25 21.812 8.044 13.989
180 H LYS 26 H LYS 26 17.803 13.558 8.007
181 HA LYS 26 HA LYS 26 16.261 13.477 6.332
182 HB2 LYS 26 HB2 LYS 26 18.733 13.545 4.592
183 HB3 LYS 26 HB3 LYS 26 17.100 13.944 4.075
184 HG2 LYS 26 HG2 LYS 26 17.914 16.034 4.450
185 HG3 LYS 26 HG3 LYS 26 17.263 15.678 6.052
186 HD2 LYS 26 HD2 LYS 26 19.332 15.447 6.992
187 HD3 LYS 26 HD3 LYS 26 20.071 14.887 5.490
188 HE2 LYS 26 HE2 LYS 26 19.202 17.721 6.050
189 HE3 LYS 26 HE3 LYS 26 20.857 17.126 6.172
190 HZ1 LYS 26 HZ1 LYS 26 20.996 17.788 4.056
191 HZ2 LYS 26 HZ2 LYS 26 19.320 17.821 3.832
192 HZ3 LYS 26 HZ3 LYS 26 20.162 16.361 3.691
193 H VAL 27 H VAL 27 16.871 10.980 7.400
194 HA VAL 27 HA VAL 27 16.142 9.282 5.159
195 HB VAL 27 HB VAL 27 17.808 7.531 5.830
196 HG11 VAL 27 HG11 VAL 27 18.153 8.830 3.826
197 HG12 VAL 27 HG12 VAL 27 18.876 10.141 4.761
198 HG13 VAL 27 HG13 VAL 27 19.699 8.585 4.637
199 HG21 VAL 27 HG21 VAL 27 19.511 9.632 7.049
200 HG22 VAL 27 HG22 VAL 27 18.231 8.937 8.045
201 HG23 VAL 27 HG23 VAL 27 19.470 7.894 7.346
202 H CYS 28 H CYS 28 15.436 7.116 5.878
203 HA CYS 28 HA CYS 28 13.897 7.348 8.315
204 HB2 CYS 28 HB2 CYS 28 14.045 5.164 6.227
205 HB3 CYS 28 HB3 CYS 28 12.947 5.149 7.604
206 H VAL 29 H VAL 29 14.190 6.246 10.185
207 HA VAL 29 HA VAL 29 16.370 4.276 10.307
208 HB VAL 29 HB VAL 29 17.047 5.211 12.513
209 HG11 VAL 29 HG11 VAL 29 18.221 7.209 11.568
210 HG12 VAL 29 HG12 VAL 29 18.398 5.734 10.615
211 HG13 VAL 29 HG13 VAL 29 17.277 6.993 10.094
212 HG21 VAL 29 HG21 VAL 29 14.702 6.585 12.418
213 HG22 VAL 29 HG22 VAL 29 16.051 6.976 13.485
214 HG23 VAL 29 HG23 VAL 29 15.858 7.835 11.956
215 H LYS 30 H LYS 30 16.281 2.897 12.232
216 HA LYS 30 HA LYS 30 13.604 2.006 12.722
217 HB2 LYS 30 HB2 LYS 30 15.688 0.549 12.522
218 HB3 LYS 30 HB3 LYS 30 16.086 1.069 14.154
219 HG2 LYS 30 HG2 LYS 30 14.122 0.050 15.038
220 HG3 LYS 30 HG3 LYS 30 13.501 -0.283 13.420
221 HD2 LYS 30 HD2 LYS 30 16.166 -1.382 14.145
222 HD3 LYS 30 HD3 LYS 30 14.739 -2.136 14.858
223 HE2 LYS 30 HE2 LYS 30 13.931 -1.981 12.307
224 HE3 LYS 30 HE3 LYS 30 15.672 -2.094 12.051
225 HZ1 LYS 30 HZ1 LYS 30 15.611 -4.247 12.503
226 HZ2 LYS 30 HZ2 LYS 30 13.923 -4.167 12.565
227 HZ3 LYS 30 HZ3 LYS 30 14.831 -3.987 13.981
228 H GLY 31 H GLY 31 12.967 4.153 13.668
229 HA2 GLY 31 HA2 GLY 31 11.996 4.936 15.663
230 HA3 GLY 31 HA3 GLY 31 13.122 3.942 16.575
Start of MODEL 3
1 H1 GLY 1 H GLY 1 0.730 1.458 0.323
2 HA2 GLY 1 HA2 GLY 1 2.113 0.108 1.759
3 HA3 GLY 1 HA3 GLY 1 2.103 -0.682 0.189
4 H TYR 2 H TYR 2 3.759 1.051 -1.237
5 HA TYR 2 HA TYR 2 6.330 0.230 -0.191
6 HB2 TYR 2 HB2 TYR 2 5.933 -0.090 -2.553
7 HB3 TYR 2 HB3 TYR 2 5.537 1.612 -2.761
8 HD1 TYR 2 HD1 TYR 2 8.357 -0.468 -1.446
9 HD2 TYR 2 HD2 TYR 2 7.169 2.953 -3.680
10 HE1 TYR 2 HE1 TYR 2 10.715 0.011 -1.956
11 HE2 TYR 2 HE2 TYR 2 9.523 3.440 -4.197
12 HH TYR 2 HH TYR 2 11.781 1.728 -4.285
13 H CYS 3 H CYS 3 6.645 1.548 1.607
14 HA CYS 3 HA CYS 3 6.774 4.440 1.147
15 HB2 CYS 3 HB2 CYS 3 7.278 3.308 3.847
16 HB3 CYS 3 HB3 CYS 3 6.381 4.749 3.379
17 H ALA 4 H ALA 4 8.597 5.278 2.939
18 HA ALA 4 HA ALA 4 11.087 4.435 1.706
19 HB1 ALA 4 HB1 ALA 4 10.258 6.745 3.410
20 HB2 ALA 4 HB2 ALA 4 11.967 6.345 3.237
21 HB3 ALA 4 HB3 ALA 4 11.006 6.739 1.812
22 H THR 5 H THR 5 12.036 2.688 2.538
23 HA THR 5 HA THR 5 11.758 2.006 5.335
24 HB THR 5 HB THR 5 13.405 0.123 4.608
25 HG1 THR 5 HG1 THR 5 13.951 0.141 2.569
26 HG21 THR 5 HG21 THR 5 11.492 -1.009 4.748
27 HG22 THR 5 HG22 THR 5 11.131 -0.570 3.079
28 HG23 THR 5 HG23 THR 5 10.572 0.454 4.401
29 H LYS 6 H LYS 6 13.845 1.207 6.453
30 HA LYS 6 HA LYS 6 15.429 3.331 7.141
31 HB2 LYS 6 HB2 LYS 6 15.305 1.182 8.373
32 HB3 LYS 6 HB3 LYS 6 16.293 0.433 7.126
33 HG2 LYS 6 HG2 LYS 6 18.172 1.783 7.696
34 HG3 LYS 6 HG3 LYS 6 17.197 2.777 8.781
35 HD2 LYS 6 HD2 LYS 6 17.114 1.156 10.411
36 HD3 LYS 6 HD3 LYS 6 17.352 -0.163 9.261
37 HE2 LYS 6 HE2 LYS 6 19.699 0.825 8.929
38 HE3 LYS 6 HE3 LYS 6 19.384 1.722 10.414
39 HZ1 LYS 6 HZ1 LYS 6 20.569 -0.439 10.707
40 HZ2 LYS 6 HZ2 LYS 6 19.156 -1.228 10.218
41 HZ3 LYS 6 HZ3 LYS 6 19.154 -0.284 11.622
42 H GLY 7 H GLY 7 17.206 4.331 6.366
43 HA2 GLY 7 HA2 GLY 7 19.199 4.529 5.129
44 HA3 GLY 7 HA3 GLY 7 18.777 3.063 4.257
45 H ILE 8 H ILE 8 15.994 4.287 3.902
46 HA ILE 8 HA ILE 8 16.615 5.587 1.388
47 HB ILE 8 HB ILE 8 13.885 5.072 2.563
48 HG12 ILE 8 HG12 ILE 8 15.203 2.981 2.417
49 HG13 ILE 8 HG13 ILE 8 13.850 2.995 1.292
50 HG21 ILE 8 HG21 ILE 8 14.882 5.701 -0.203
51 HG22 ILE 8 HG22 ILE 8 13.275 5.049 0.111
52 HG23 ILE 8 HG23 ILE 8 13.736 6.614 0.778
53 HD11 ILE 8 HD11 ILE 8 15.200 2.710 -0.438
54 HD12 ILE 8 HD12 ILE 8 16.235 4.048 0.065
55 HD13 ILE 8 HD13 ILE 8 16.502 2.432 0.718
56 H LYS 9 H LYS 9 16.636 7.708 1.049
57 HA LYS 9 HA LYS 9 16.517 9.615 3.043
58 HB2 LYS 9 HB2 LYS 9 15.971 9.949 0.088
59 HB3 LYS 9 HB3 LYS 9 16.263 11.277 1.204
60 HG2 LYS 9 HG2 LYS 9 18.332 9.227 1.291
61 HG3 LYS 9 HG3 LYS 9 18.161 9.990 -0.292
62 HD2 LYS 9 HD2 LYS 9 18.319 12.205 0.814
63 HD3 LYS 9 HD3 LYS 9 18.617 11.382 2.347
64 HE2 LYS 9 HE2 LYS 9 20.334 10.639 0.048
65 HE3 LYS 9 HE3 LYS 9 20.584 12.233 0.757
66 HZ1 LYS 9 HZ1 LYS 9 20.396 9.971 2.591
67 HZ2 LYS 9 HZ2 LYS 9 21.357 11.359 2.682
68 HZ3 LYS 9 HZ3 LYS 9 21.803 10.088 1.658
69 H CYS 10 H CYS 10 14.970 10.959 3.871
70 HA CYS 10 HA CYS 10 12.196 10.471 3.004
71 HB2 CYS 10 HB2 CYS 10 11.439 10.531 5.255
72 HB3 CYS 10 HB3 CYS 10 12.834 9.458 5.243
73 H ASN 11 H ASN 11 14.179 12.580 2.287
74 HA ASN 11 HA ASN 11 13.672 15.010 3.532
75 HB2 ASN 11 HB2 ASN 11 14.213 14.542 0.591
76 HB3 ASN 11 HB3 ASN 11 14.432 16.062 1.454
77 HD21 ASN 11 HD21 ASN 11 16.471 16.472 1.839
78 HD22 ASN 11 HD22 ASN 11 17.692 15.315 2.238
79 H ASP 12 H ASP 12 11.688 13.153 1.395
80 HA ASP 12 HA ASP 12 9.573 15.157 1.656
81 HB2 ASP 12 HB2 ASP 12 10.883 15.214 -0.627
82 HB3 ASP 12 HB3 ASP 12 9.897 13.802 -0.993
83 H ILE 13 H ILE 13 10.477 11.879 0.678
84 HA ILE 13 HA ILE 13 7.784 10.890 0.852
85 HB ILE 13 HB ILE 13 9.508 9.908 -0.666
86 HG12 ILE 13 HG12 ILE 13 8.633 7.731 1.188
87 HG13 ILE 13 HG13 ILE 13 7.406 8.722 0.406
88 HG21 ILE 13 HG21 ILE 13 11.191 8.426 0.210
89 HG22 ILE 13 HG22 ILE 13 11.376 10.014 0.954
90 HG23 ILE 13 HG23 ILE 13 10.625 8.699 1.858
91 HD11 ILE 13 HD11 ILE 13 8.952 8.093 -1.710
92 HD12 ILE 13 HD12 ILE 13 9.162 6.656 -0.708
93 HD13 ILE 13 HD13 ILE 13 7.544 7.164 -1.194
94 H HIS 14 H HIS 14 6.875 9.636 2.448
95 HA HIS 14 HA HIS 14 8.160 9.825 5.066
96 HB2 HIS 14 HB2 HIS 14 5.336 8.997 4.366
97 HB3 HIS 14 HB3 HIS 14 5.960 9.303 5.985
98 HD1 HIS 14 HD1 HIS 14 4.676 11.013 2.952
99 HD2 HIS 14 HD2 HIS 14 6.359 12.038 6.609
100 HE1 HIS 14 HE1 HIS 14 4.261 13.479 3.215
101 H CYS 15 H CYS 15 8.165 7.999 6.518
102 HA CYS 15 HA CYS 15 8.786 5.528 5.108
103 HB2 CYS 15 HB2 CYS 15 9.011 5.819 8.078
104 HB3 CYS 15 HB3 CYS 15 10.024 4.904 6.966
105 H CYS 16 H CYS 16 7.930 3.484 5.747
106 HA CYS 16 HA CYS 16 5.138 3.455 6.066
107 HB2 CYS 16 HB2 CYS 16 7.298 1.427 5.964
108 HB3 CYS 16 HB3 CYS 16 5.791 0.922 6.723
109 H SER 17 H SER 17 3.859 2.616 7.794
110 HA SER 17 HA SER 17 4.309 3.735 10.269
111 HB2 SER 17 HB2 SER 17 2.638 1.325 9.532
112 HB3 SER 17 HB3 SER 17 2.583 2.103 11.113
113 HG SER 17 HG SER 17 1.060 3.199 10.099
114 H GLY 18 H GLY 18 6.053 3.398 11.495
115 HA2 GLY 18 HA2 GLY 18 6.691 1.632 13.238
116 HA3 GLY 18 HA3 GLY 18 7.016 0.632 11.830
117 H LEU 19 H LEU 19 7.898 3.364 10.577
118 HA LEU 19 HA LEU 19 10.617 3.284 11.710
119 HB2 LEU 19 HB2 LEU 19 9.714 3.779 8.880
120 HB3 LEU 19 HB3 LEU 19 11.364 4.036 9.444
121 HG LEU 19 HG LEU 19 9.954 1.372 9.515
122 HD11 LEU 19 HD11 LEU 19 11.288 0.786 7.565
123 HD12 LEU 19 HD12 LEU 19 11.929 2.428 7.496
124 HD13 LEU 19 HD13 LEU 19 10.213 2.138 7.210
125 HD21 LEU 19 HD21 LEU 19 11.893 1.888 11.097
126 HD22 LEU 19 HD22 LEU 19 12.903 1.916 9.651
127 HD23 LEU 19 HD23 LEU 19 12.027 0.448 10.088
128 H LYS 20 H LYS 20 11.806 5.259 11.754
129 HA LYS 20 HA LYS 20 10.066 7.625 11.920
130 HB2 LYS 20 HB2 LYS 20 12.477 6.737 13.439
131 HB3 LYS 20 HB3 LYS 20 12.199 8.464 13.250
132 HG2 LYS 20 HG2 LYS 20 10.014 6.685 14.247
133 HG3 LYS 20 HG3 LYS 20 11.283 7.249 15.337
134 HD2 LYS 20 HD2 LYS 20 10.047 9.315 13.636
135 HD3 LYS 20 HD3 LYS 20 8.992 8.599 14.857
136 HE2 LYS 20 HE2 LYS 20 11.551 9.156 16.012
137 HE3 LYS 20 HE3 LYS 20 10.948 10.601 15.201
138 HZ1 LYS 20 HZ1 LYS 20 8.780 9.625 16.538
139 HZ2 LYS 20 HZ2 LYS 20 9.745 10.926 17.024
140 HZ3 LYS 20 HZ3 LYS 20 10.054 9.374 17.622
141 H CYS 21 H CYS 21 10.615 9.521 10.904
142 HA CYS 21 HA CYS 21 12.587 9.269 8.768
143 HB2 CYS 21 HB2 CYS 21 10.498 10.061 7.982
144 HB3 CYS 21 HB3 CYS 21 10.348 11.213 9.305
145 H ASP 22 H ASP 22 14.569 9.607 9.677
146 HA ASP 22 HA ASP 22 15.169 11.527 11.639
147 HB2 ASP 22 HB2 ASP 22 16.543 9.476 10.685
148 HB3 ASP 22 HB3 ASP 22 17.244 10.716 9.649
149 H SER 23 H SER 23 14.640 13.608 11.308
150 HA SER 23 HA SER 23 14.838 14.892 8.766
151 HB2 SER 23 HB2 SER 23 13.167 15.619 10.386
152 HB3 SER 23 HB3 SER 23 14.433 16.046 11.537
153 HG SER 23 HG SER 23 14.481 17.912 10.597
154 H LYS 24 H LYS 24 17.091 14.152 11.160
155 HA LYS 24 HA LYS 24 18.825 16.422 10.687
156 HB2 LYS 24 HB2 LYS 24 19.334 13.867 12.223
157 HB3 LYS 24 HB3 LYS 24 20.364 15.292 12.229
158 HG2 LYS 24 HG2 LYS 24 18.117 16.456 13.012
159 HG3 LYS 24 HG3 LYS 24 17.765 14.819 13.571
160 HD2 LYS 24 HD2 LYS 24 19.617 14.793 15.010
161 HD3 LYS 24 HD3 LYS 24 20.370 16.173 14.207
162 HE2 LYS 24 HE2 LYS 24 18.867 17.692 15.165
163 HE3 LYS 24 HE3 LYS 24 17.725 16.422 15.604
164 HZ1 LYS 24 HZ1 LYS 24 20.061 15.785 16.904
165 HZ2 LYS 24 HZ2 LYS 24 18.664 16.439 17.598
166 HZ3 LYS 24 HZ3 LYS 24 19.914 17.460 17.091
167 H ARG 25 H ARG 25 18.747 12.972 9.893
168 HA ARG 25 HA ARG 25 21.081 13.336 8.154
169 HB2 ARG 25 HB2 ARG 25 19.713 10.827 9.138
170 HB3 ARG 25 HB3 ARG 25 21.086 10.846 8.041
171 HG2 ARG 25 HG2 ARG 25 21.807 12.423 10.257
172 HG3 ARG 25 HG3 ARG 25 21.053 10.959 10.891
173 HD2 ARG 25 HD2 ARG 25 22.587 9.795 9.096
174 HD3 ARG 25 HD3 ARG 25 23.527 11.277 9.261
175 HE ARG 25 HE ARG 25 23.299 9.148 11.174
176 HH11 ARG 25 HH11 ARG 25 23.954 12.540 10.742
177 HH12 ARG 25 HH12 ARG 25 24.886 12.678 12.195
178 HH21 ARG 25 HH21 ARG 25 24.524 9.318 13.090
179 HH22 ARG 25 HH22 ARG 25 25.210 10.845 13.530
180 H LYS 26 H LYS 26 17.874 13.673 7.900
181 HA LYS 26 HA LYS 26 16.337 13.569 6.222
182 HB2 LYS 26 HB2 LYS 26 18.692 13.500 4.342
183 HB3 LYS 26 HB3 LYS 26 17.097 14.184 4.055
184 HG2 LYS 26 HG2 LYS 26 19.102 15.244 6.036
185 HG3 LYS 26 HG3 LYS 26 18.820 15.896 4.421
186 HD2 LYS 26 HD2 LYS 26 16.303 15.912 5.365
187 HD3 LYS 26 HD3 LYS 26 17.190 16.123 6.877
188 HE2 LYS 26 HE2 LYS 26 18.419 18.010 5.815
189 HE3 LYS 26 HE3 LYS 26 17.374 17.841 4.405
190 HZ1 LYS 26 HZ1 LYS 26 15.598 18.000 6.418
191 HZ2 LYS 26 HZ2 LYS 26 16.093 19.310 5.470
192 HZ3 LYS 26 HZ3 LYS 26 16.820 19.031 6.972
193 H VAL 27 H VAL 27 16.957 11.085 7.328
194 HA VAL 27 HA VAL 27 16.219 9.356 5.113
195 HB VAL 27 HB VAL 27 17.894 7.617 5.799
196 HG11 VAL 27 HG11 VAL 27 18.951 10.211 4.682
197 HG12 VAL 27 HG12 VAL 27 19.769 8.651 4.568
198 HG13 VAL 27 HG13 VAL 27 18.213 8.893 3.772
199 HG21 VAL 27 HG21 VAL 27 19.505 7.979 7.343
200 HG22 VAL 27 HG22 VAL 27 19.661 9.688 6.938
201 HG23 VAL 27 HG23 VAL 27 18.338 9.144 7.969
202 H CYS 28 H CYS 28 15.479 7.224 5.848
203 HA CYS 28 HA CYS 28 13.980 7.477 8.305
204 HB2 CYS 28 HB2 CYS 28 14.086 5.285 6.224
205 HB3 CYS 28 HB3 CYS 28 13.010 5.277 7.618
206 H VAL 29 H VAL 29 14.201 6.263 10.145
207 HA VAL 29 HA VAL 29 16.475 4.400 10.267
208 HB VAL 29 HB VAL 29 16.977 5.242 12.556
209 HG11 VAL 29 HG11 VAL 29 18.242 5.959 10.541
210 HG12 VAL 29 HG12 VAL 29 17.193 7.375 10.436
211 HG13 VAL 29 HG13 VAL 29 18.241 7.155 11.837
212 HG21 VAL 29 HG21 VAL 29 14.558 6.627 12.204
213 HG22 VAL 29 HG22 VAL 29 15.650 6.697 13.587
214 HG23 VAL 29 HG23 VAL 29 15.826 7.852 12.267
215 H LYS 30 H LYS 30 16.393 2.990 12.223
216 HA LYS 30 HA LYS 30 14.033 1.546 12.351
217 HB2 LYS 30 HB2 LYS 30 16.307 0.768 13.076
218 HB3 LYS 30 HB3 LYS 30 16.102 1.708 14.548
219 HG2 LYS 30 HG2 LYS 30 15.061 0.001 15.488
220 HG3 LYS 30 HG3 LYS 30 13.805 0.083 14.250
221 HD2 LYS 30 HD2 LYS 30 14.686 -1.634 13.052
222 HD3 LYS 30 HD3 LYS 30 16.348 -1.222 13.482
223 HE2 LYS 30 HE2 LYS 30 16.235 -3.021 14.814
224 HE3 LYS 30 HE3 LYS 30 15.317 -1.971 15.893
225 HZ1 LYS 30 HZ1 LYS 30 13.276 -2.778 14.871
226 HZ2 LYS 30 HZ2 LYS 30 14.169 -4.055 15.527
227 HZ3 LYS 30 HZ3 LYS 30 14.164 -3.799 13.855
228 H GLY 31 H GLY 31 12.204 1.639 13.538
229 HA2 GLY 31 HA2 GLY 31 12.078 3.623 15.717
230 HA3 GLY 31 HA3 GLY 31 10.849 3.600 14.461
Start of MODEL 4
1 H1 GLY 1 H GLY 1 1.497 -0.557 0.083
2 HA2 GLY 1 HA2 GLY 1 1.965 -0.554 -2.695
3 HA3 GLY 1 HA3 GLY 1 2.027 1.103 -2.111
4 H TYR 2 H TYR 2 3.823 1.819 -1.094
5 HA TYR 2 HA TYR 2 5.697 0.161 0.223
6 HB2 TYR 2 HB2 TYR 2 6.232 -0.590 -2.039
7 HB3 TYR 2 HB3 TYR 2 6.466 1.076 -2.558
8 HD1 TYR 2 HD1 TYR 2 7.672 -0.940 0.357
9 HD2 TYR 2 HD2 TYR 2 8.686 1.531 -2.955
10 HE1 TYR 2 HE1 TYR 2 10.045 -1.085 0.984
11 HE2 TYR 2 HE2 TYR 2 11.063 1.391 -2.338
12 HH TYR 2 HH TYR 2 12.535 -0.258 -1.039
13 H CYS 3 H CYS 3 6.539 1.447 1.711
14 HA CYS 3 HA CYS 3 6.673 4.329 1.190
15 HB2 CYS 3 HB2 CYS 3 7.233 3.247 3.899
16 HB3 CYS 3 HB3 CYS 3 6.334 4.684 3.424
17 H ALA 4 H ALA 4 8.541 5.190 2.924
18 HA ALA 4 HA ALA 4 10.999 4.297 1.656
19 HB1 ALA 4 HB1 ALA 4 10.862 6.621 1.701
20 HB2 ALA 4 HB2 ALA 4 10.268 6.649 3.362
21 HB3 ALA 4 HB3 ALA 4 11.953 6.245 3.035
22 H THR 5 H THR 5 11.958 2.572 2.521
23 HA THR 5 HA THR 5 11.734 1.976 5.342
24 HB THR 5 HB THR 5 13.366 0.068 4.634
25 HG1 THR 5 HG1 THR 5 13.107 -0.377 2.344
26 HG21 THR 5 HG21 THR 5 10.526 0.399 4.484
27 HG22 THR 5 HG22 THR 5 11.454 -1.052 4.865
28 HG23 THR 5 HG23 THR 5 11.056 -0.675 3.189
29 H LYS 6 H LYS 6 13.865 1.169 6.410
30 HA LYS 6 HA LYS 6 15.457 3.302 7.044
31 HB2 LYS 6 HB2 LYS 6 15.448 1.256 8.355
32 HB3 LYS 6 HB3 LYS 6 16.209 0.374 7.037
33 HG2 LYS 6 HG2 LYS 6 17.713 2.723 7.902
34 HG3 LYS 6 HG3 LYS 6 17.512 1.495 9.154
35 HD2 LYS 6 HD2 LYS 6 18.240 0.454 6.504
36 HD3 LYS 6 HD3 LYS 6 19.467 1.469 7.267
37 HE2 LYS 6 HE2 LYS 6 19.725 0.030 9.061
38 HE3 LYS 6 HE3 LYS 6 18.134 -0.696 8.838
39 HZ1 LYS 6 HZ1 LYS 6 20.521 -1.725 7.990
40 HZ2 LYS 6 HZ2 LYS 6 19.823 -1.112 6.577
41 HZ3 LYS 6 HZ3 LYS 6 18.983 -2.243 7.512
42 H GLY 7 H GLY 7 17.160 4.341 6.182
43 HA2 GLY 7 HA2 GLY 7 19.150 4.500 4.903
44 HA3 GLY 7 HA3 GLY 7 18.654 3.075 4.002
45 H ILE 8 H ILE 8 15.894 4.324 3.763
46 HA ILE 8 HA ILE 8 16.454 5.730 1.293
47 HB ILE 8 HB ILE 8 13.752 5.185 2.518
48 HG12 ILE 8 HG12 ILE 8 15.048 3.091 2.266
49 HG13 ILE 8 HG13 ILE 8 13.671 3.156 1.172
50 HG21 ILE 8 HG21 ILE 8 13.087 5.249 0.076
51 HG22 ILE 8 HG22 ILE 8 13.561 6.787 0.796
52 HG23 ILE 8 HG23 ILE 8 14.688 5.916 -0.244
53 HD11 ILE 8 HD11 ILE 8 16.401 2.735 0.563
54 HD12 ILE 8 HD12 ILE 8 15.019 2.770 -0.531
55 HD13 ILE 8 HD13 ILE 8 15.902 4.255 -0.178
56 H LYS 9 H LYS 9 16.364 7.865 0.982
57 HA LYS 9 HA LYS 9 16.407 9.713 3.027
58 HB2 LYS 9 HB2 LYS 9 15.440 10.246 0.214
59 HB3 LYS 9 HB3 LYS 9 16.111 11.423 1.334
60 HG2 LYS 9 HG2 LYS 9 17.994 9.324 1.052
61 HG3 LYS 9 HG3 LYS 9 17.462 9.805 -0.561
62 HD2 LYS 9 HD2 LYS 9 18.280 11.827 1.506
63 HD3 LYS 9 HD3 LYS 9 19.461 11.046 0.451
64 HE2 LYS 9 HE2 LYS 9 17.165 12.050 -1.015
65 HE3 LYS 9 HE3 LYS 9 17.988 13.323 -0.114
66 HZ1 LYS 9 HZ1 LYS 9 20.098 12.356 -1.147
67 HZ2 LYS 9 HZ2 LYS 9 19.083 13.271 -2.143
68 HZ3 LYS 9 HZ3 LYS 9 19.065 11.582 -2.241
69 H CYS 10 H CYS 10 14.931 11.017 4.037
70 HA CYS 10 HA CYS 10 12.091 10.471 3.466
71 HB2 CYS 10 HB2 CYS 10 11.579 10.377 5.740
72 HB3 CYS 10 HB3 CYS 10 13.121 9.531 5.653
73 H ASN 11 H ASN 11 14.179 12.683 2.824
74 HA ASN 11 HA ASN 11 13.398 15.051 4.099
75 HB2 ASN 11 HB2 ASN 11 15.434 14.808 2.696
76 HB3 ASN 11 HB3 ASN 11 14.411 14.739 1.264
77 HD21 ASN 11 HD21 ASN 11 15.712 16.578 0.600
78 HD22 ASN 11 HD22 ASN 11 15.261 18.159 1.132
79 H ASP 12 H ASP 12 11.794 13.132 1.760
80 HA ASP 12 HA ASP 12 9.664 15.140 1.589
81 HB2 ASP 12 HB2 ASP 12 11.121 15.173 -0.488
82 HB3 ASP 12 HB3 ASP 12 10.550 13.539 -0.812
83 H ILE 13 H ILE 13 10.512 11.806 0.648
84 HA ILE 13 HA ILE 13 7.805 10.899 0.850
85 HB ILE 13 HB ILE 13 9.493 9.858 -0.660
86 HG12 ILE 13 HG12 ILE 13 8.393 7.864 1.323
87 HG13 ILE 13 HG13 ILE 13 7.380 8.717 0.164
88 HG21 ILE 13 HG21 ILE 13 11.355 9.934 0.998
89 HG22 ILE 13 HG22 ILE 13 10.586 8.594 1.847
90 HG23 ILE 13 HG23 ILE 13 11.165 8.375 0.196
91 HD11 ILE 13 HD11 ILE 13 9.551 6.723 -0.381
92 HD12 ILE 13 HD12 ILE 13 7.838 6.625 -0.790
93 HD13 ILE 13 HD13 ILE 13 8.883 7.768 -1.634
94 H HIS 14 H HIS 14 6.868 9.607 2.420
95 HA HIS 14 HA HIS 14 8.106 9.801 5.060
96 HB2 HIS 14 HB2 HIS 14 5.309 8.870 4.407
97 HB3 HIS 14 HB3 HIS 14 5.927 9.400 5.968
98 HD1 HIS 14 HD1 HIS 14 7.238 12.047 5.179
99 HD2 HIS 14 HD2 HIS 14 3.510 10.818 3.818
100 HE1 HIS 14 HE1 HIS 14 6.033 14.155 4.525
101 H CYS 15 H CYS 15 8.164 7.988 6.496
102 HA CYS 15 HA CYS 15 8.754 5.506 5.093
103 HB2 CYS 15 HB2 CYS 15 9.046 5.815 8.054
104 HB3 CYS 15 HB3 CYS 15 10.037 4.899 6.923
105 H CYS 16 H CYS 16 7.926 3.462 5.798
106 HA CYS 16 HA CYS 16 5.137 3.435 6.166
107 HB2 CYS 16 HB2 CYS 16 7.298 1.410 6.047
108 HB3 CYS 16 HB3 CYS 16 5.811 0.913 6.848
109 H SER 17 H SER 17 3.896 2.612 7.931
110 HA SER 17 HA SER 17 4.392 3.770 10.381
111 HB2 SER 17 HB2 SER 17 2.645 1.475 9.541
112 HB3 SER 17 HB3 SER 17 2.754 1.930 11.242
113 HG SER 17 HG SER 17 1.256 3.307 10.685
114 H GLY 18 H GLY 18 6.098 3.450 11.652
115 HA2 GLY 18 HA2 GLY 18 6.785 1.699 13.376
116 HA3 GLY 18 HA3 GLY 18 7.114 0.699 11.968
117 H LEU 19 H LEU 19 7.985 3.353 10.632
118 HA LEU 19 HA LEU 19 10.706 3.324 11.759
119 HB2 LEU 19 HB2 LEU 19 9.755 3.859 8.952
120 HB3 LEU 19 HB3 LEU 19 11.414 4.104 9.494
121 HG LEU 19 HG LEU 19 10.003 1.440 9.553
122 HD11 LEU 19 HD11 LEU 19 11.273 0.881 7.559
123 HD12 LEU 19 HD12 LEU 19 11.936 2.513 7.503
124 HD13 LEU 19 HD13 LEU 19 10.210 2.254 7.252
125 HD21 LEU 19 HD21 LEU 19 12.958 1.901 9.569
126 HD22 LEU 19 HD22 LEU 19 12.038 0.509 10.141
127 HD23 LEU 19 HD23 LEU 19 12.031 2.013 11.065
128 H LYS 20 H LYS 20 11.898 5.318 11.744
129 HA LYS 20 HA LYS 20 10.141 7.660 12.028
130 HB2 LYS 20 HB2 LYS 20 12.778 6.949 13.302
131 HB3 LYS 20 HB3 LYS 20 12.125 8.581 13.353
132 HG2 LYS 20 HG2 LYS 20 10.010 7.046 14.202
133 HG3 LYS 20 HG3 LYS 20 11.409 6.232 14.907
134 HD2 LYS 20 HD2 LYS 20 12.119 8.248 15.986
135 HD3 LYS 20 HD3 LYS 20 10.899 9.196 15.132
136 HE2 LYS 20 HE2 LYS 20 9.604 7.053 16.490
137 HE3 LYS 20 HE3 LYS 20 10.678 7.867 17.627
138 HZ1 LYS 20 HZ1 LYS 20 8.742 9.317 15.915
139 HZ2 LYS 20 HZ2 LYS 20 9.607 9.920 17.237
140 HZ3 LYS 20 HZ3 LYS 20 8.373 8.788 17.478
141 H CYS 21 H CYS 21 10.758 9.659 11.155
142 HA CYS 21 HA CYS 21 12.506 9.430 8.825
143 HB2 CYS 21 HB2 CYS 21 10.370 10.343 8.300
144 HB3 CYS 21 HB3 CYS 21 10.441 11.467 9.653
145 H ASP 22 H ASP 22 14.560 9.586 9.671
146 HA ASP 22 HA ASP 22 15.412 11.389 11.631
147 HB2 ASP 22 HB2 ASP 22 16.616 9.336 10.548
148 HB3 ASP 22 HB3 ASP 22 17.237 10.531 9.412
149 H SER 23 H SER 23 14.913 13.501 11.426
150 HA SER 23 HA SER 23 15.027 14.899 8.936
151 HB2 SER 23 HB2 SER 23 14.811 15.970 11.761
152 HB3 SER 23 HB3 SER 23 14.536 16.901 10.289
153 HG SER 23 HG SER 23 12.870 15.200 11.595
154 H LYS 24 H LYS 24 17.358 13.985 11.193
155 HA LYS 24 HA LYS 24 19.138 16.225 10.737
156 HB2 LYS 24 HB2 LYS 24 19.781 13.607 12.095
157 HB3 LYS 24 HB3 LYS 24 20.645 15.132 12.247
158 HG2 LYS 24 HG2 LYS 24 17.964 15.614 12.991
159 HG3 LYS 24 HG3 LYS 24 18.482 14.135 13.803
160 HD2 LYS 24 HD2 LYS 24 20.329 15.241 14.815
161 HD3 LYS 24 HD3 LYS 24 20.103 16.675 13.811
162 HE2 LYS 24 HE2 LYS 24 18.695 17.542 15.295
163 HE3 LYS 24 HE3 LYS 24 17.682 16.101 15.230
164 HZ1 LYS 24 HZ1 LYS 24 20.124 16.336 16.900
165 HZ2 LYS 24 HZ2 LYS 24 18.992 15.080 16.923
166 HZ3 LYS 24 HZ3 LYS 24 18.558 16.620 17.471
167 H ARG 25 H ARG 25 18.933 12.806 9.833
168 HA ARG 25 HA ARG 25 21.202 13.170 8.010
169 HB2 ARG 25 HB2 ARG 25 19.796 10.633 8.867
170 HB3 ARG 25 HB3 ARG 25 21.225 10.721 7.846
171 HG2 ARG 25 HG2 ARG 25 21.525 12.104 10.399
172 HG3 ARG 25 HG3 ARG 25 21.225 10.371 10.552
173 HD2 ARG 25 HD2 ARG 25 23.267 9.855 9.810
174 HD3 ARG 25 HD3 ARG 25 23.149 10.988 8.464
175 HE ARG 25 HE ARG 25 23.579 12.367 10.902
176 HH11 ARG 25 HH11 ARG 25 25.201 10.413 8.520
177 HH12 ARG 25 HH12 ARG 25 26.760 11.105 8.825
178 HH21 ARG 25 HH21 ARG 25 25.626 13.285 11.312
179 HH22 ARG 25 HH22 ARG 25 27.001 12.737 10.414
180 H LYS 26 H LYS 26 17.997 13.598 7.902
181 HA LYS 26 HA LYS 26 16.386 13.580 6.290
182 HB2 LYS 26 HB2 LYS 26 18.850 13.732 4.546
183 HB3 LYS 26 HB3 LYS 26 17.211 13.998 3.966
184 HG2 LYS 26 HG2 LYS 26 16.996 16.004 5.085
185 HG3 LYS 26 HG3 LYS 26 18.260 15.607 6.252
186 HD2 LYS 26 HD2 LYS 26 19.452 15.577 3.690
187 HD3 LYS 26 HD3 LYS 26 18.471 17.041 3.789
188 HE2 LYS 26 HE2 LYS 26 20.387 16.228 5.959
189 HE3 LYS 26 HE3 LYS 26 20.881 17.212 4.582
190 HZ1 LYS 26 HZ1 LYS 26 18.718 17.915 6.491
191 HZ2 LYS 26 HZ2 LYS 26 19.259 18.869 5.204
192 HZ3 LYS 26 HZ3 LYS 26 20.283 18.557 6.514
193 H VAL 27 H VAL 27 16.917 11.057 7.263
194 HA VAL 27 HA VAL 27 16.137 9.433 4.982
195 HB VAL 27 HB VAL 27 17.747 7.613 5.641
196 HG11 VAL 27 HG11 VAL 27 19.660 8.619 4.437
197 HG12 VAL 27 HG12 VAL 27 18.114 8.908 3.637
198 HG13 VAL 27 HG13 VAL 27 18.879 10.195 4.569
199 HG21 VAL 27 HG21 VAL 27 19.396 7.907 7.169
200 HG22 VAL 27 HG22 VAL 27 19.554 9.631 6.833
201 HG23 VAL 27 HG23 VAL 27 18.234 9.047 7.846
202 H CYS 28 H CYS 28 15.419 7.239 5.674
203 HA CYS 28 HA CYS 28 13.854 7.476 8.100
204 HB2 CYS 28 HB2 CYS 28 13.962 5.339 5.963
205 HB3 CYS 28 HB3 CYS 28 12.871 5.299 7.344
206 H VAL 29 H VAL 29 14.052 6.256 9.928
207 HA VAL 29 HA VAL 29 16.191 4.250 10.033
208 HB VAL 29 HB VAL 29 16.848 5.147 12.293
209 HG11 VAL 29 HG11 VAL 29 18.272 6.931 11.374
210 HG12 VAL 29 HG12 VAL 29 18.250 5.498 10.344
211 HG13 VAL 29 HG13 VAL 29 17.309 6.921 9.897
212 HG21 VAL 29 HG21 VAL 29 16.127 7.180 13.083
213 HG22 VAL 29 HG22 VAL 29 15.693 7.774 11.480
214 HG23 VAL 29 HG23 VAL 29 14.661 6.598 12.293
215 H LYS 30 H LYS 30 16.129 3.246 12.389
216 HA LYS 30 HA LYS 30 13.508 2.097 12.650
217 HB2 LYS 30 HB2 LYS 30 15.840 0.976 12.981
218 HB3 LYS 30 HB3 LYS 30 15.736 1.639 14.606
219 HG2 LYS 30 HG2 LYS 30 13.343 0.471 14.487
220 HG3 LYS 30 HG3 LYS 30 14.214 -0.561 13.350
221 HD2 LYS 30 HD2 LYS 30 14.567 -1.634 15.374
222 HD3 LYS 30 HD3 LYS 30 16.024 -0.650 15.207
223 HE2 LYS 30 HE2 LYS 30 15.457 0.718 16.921
224 HE3 LYS 30 HE3 LYS 30 13.732 0.618 16.573
225 HZ1 LYS 30 HZ1 LYS 30 15.238 -0.818 18.481
226 HZ2 LYS 30 HZ2 LYS 30 14.525 -1.905 17.399
227 HZ3 LYS 30 HZ3 LYS 30 13.562 -0.802 18.245
228 H GLY 31 H GLY 31 12.127 2.204 14.433
229 HA2 GLY 31 HA2 GLY 31 12.582 4.555 16.161
230 HA3 GLY 31 HA3 GLY 31 10.998 3.974 15.668
Start of MODEL 5
1 H1 GLY 1 H GLY 1 1.633 3.002 0.067
2 HA2 GLY 1 HA2 GLY 1 1.932 0.121 -0.487
3 HA3 GLY 1 HA3 GLY 1 1.503 1.239 -1.773
4 H TYR 2 H TYR 2 4.033 -0.184 -0.006
5 HA TYR 2 HA TYR 2 6.300 -0.050 -0.129
6 HB2 TYR 2 HB2 TYR 2 5.931 -0.418 -2.509
7 HB3 TYR 2 HB3 TYR 2 5.662 1.303 -2.759
8 HD1 TYR 2 HD1 TYR 2 7.426 2.576 -3.534
9 HD2 TYR 2 HD2 TYR 2 8.267 -1.006 -1.397
10 HE1 TYR 2 HE1 TYR 2 9.828 2.892 -3.961
11 HE2 TYR 2 HE2 TYR 2 10.671 -0.699 -1.817
12 HH TYR 2 HH TYR 2 12.224 0.534 -2.811
13 H CYS 3 H CYS 3 6.666 1.296 1.612
14 HA CYS 3 HA CYS 3 6.780 4.181 1.108
15 HB2 CYS 3 HB2 CYS 3 7.313 3.090 3.819
16 HB3 CYS 3 HB3 CYS 3 6.408 4.522 3.339
17 H ALA 4 H ALA 4 8.616 5.059 2.861
18 HA ALA 4 HA ALA 4 11.099 4.188 1.627
19 HB1 ALA 4 HB1 ALA 4 10.320 6.535 3.320
20 HB2 ALA 4 HB2 ALA 4 12.015 6.147 3.021
21 HB3 ALA 4 HB3 ALA 4 10.942 6.511 1.669
22 H THR 5 H THR 5 12.069 2.478 2.506
23 HA THR 5 HA THR 5 11.809 1.876 5.324
24 HB THR 5 HB THR 5 13.474 -0.010 4.641
25 HG1 THR 5 HG1 THR 5 13.934 1.043 2.574
26 HG21 THR 5 HG21 THR 5 11.196 -0.776 3.154
27 HG22 THR 5 HG22 THR 5 10.636 0.284 4.449
28 HG23 THR 5 HG23 THR 5 11.576 -1.158 4.833
29 H LYS 6 H LYS 6 13.932 1.098 6.426
30 HA LYS 6 HA LYS 6 15.486 3.250 7.085
31 HB2 LYS 6 HB2 LYS 6 15.466 1.177 8.377
32 HB3 LYS 6 HB3 LYS 6 16.309 0.340 7.080
33 HG2 LYS 6 HG2 LYS 6 17.604 2.753 8.208
34 HG3 LYS 6 HG3 LYS 6 17.561 1.301 9.212
35 HD2 LYS 6 HD2 LYS 6 18.376 0.936 6.392
36 HD3 LYS 6 HD3 LYS 6 19.507 1.804 7.434
37 HE2 LYS 6 HE2 LYS 6 20.221 -0.311 7.848
38 HE3 LYS 6 HE3 LYS 6 18.944 -0.225 9.061
39 HZ1 LYS 6 HZ1 LYS 6 17.695 -1.055 6.764
40 HZ2 LYS 6 HZ2 LYS 6 18.090 -2.015 8.099
41 HZ3 LYS 6 HZ3 LYS 6 19.150 -1.919 6.784
42 H GLY 7 H GLY 7 17.186 4.313 6.248
43 HA2 GLY 7 HA2 GLY 7 19.195 4.498 5.002
44 HA3 GLY 7 HA3 GLY 7 18.733 3.067 4.093
45 H ILE 8 H ILE 8 15.961 4.279 3.810
46 HA ILE 8 HA ILE 8 16.541 5.692 1.349
47 HB ILE 8 HB ILE 8 13.827 5.110 2.530
48 HG12 ILE 8 HG12 ILE 8 15.156 3.035 2.299
49 HG13 ILE 8 HG13 ILE 8 13.795 3.081 1.182
50 HG21 ILE 8 HG21 ILE 8 14.829 6.007 -0.138
51 HG22 ILE 8 HG22 ILE 8 13.327 5.092 -0.021
52 HG23 ILE 8 HG23 ILE 8 13.489 6.631 0.825
53 HD11 ILE 8 HD11 ILE 8 16.037 4.210 -0.128
54 HD12 ILE 8 HD12 ILE 8 16.537 2.690 0.616
55 HD13 ILE 8 HD13 ILE 8 15.173 2.719 -0.501
56 H LYS 9 H LYS 9 16.433 7.826 1.039
57 HA LYS 9 HA LYS 9 16.414 9.673 3.085
58 HB2 LYS 9 HB2 LYS 9 15.515 10.169 0.242
59 HB3 LYS 9 HB3 LYS 9 16.093 11.382 1.376
60 HG2 LYS 9 HG2 LYS 9 17.980 9.202 1.002
61 HG3 LYS 9 HG3 LYS 9 17.607 10.059 -0.495
62 HD2 LYS 9 HD2 LYS 9 18.189 12.176 0.547
63 HD3 LYS 9 HD3 LYS 9 18.491 11.359 2.082
64 HE2 LYS 9 HE2 LYS 9 20.070 9.956 0.330
65 HE3 LYS 9 HE3 LYS 9 20.184 11.603 -0.287
66 HZ1 LYS 9 HZ1 LYS 9 20.442 11.385 2.579
67 HZ2 LYS 9 HZ2 LYS 9 21.373 12.260 1.472
68 HZ3 LYS 9 HZ3 LYS 9 21.676 10.614 1.716
69 H CYS 10 H CYS 10 14.903 10.961 4.066
70 HA CYS 10 HA CYS 10 12.082 10.377 3.444
71 HB2 CYS 10 HB2 CYS 10 11.530 10.280 5.709
72 HB3 CYS 10 HB3 CYS 10 13.083 9.453 5.651
73 H ASN 11 H ASN 11 14.150 12.615 2.834
74 HA ASN 11 HA ASN 11 13.315 14.974 4.090
75 HB2 ASN 11 HB2 ASN 11 15.379 14.775 2.737
76 HB3 ASN 11 HB3 ASN 11 14.395 14.654 1.281
77 HD21 ASN 11 HD21 ASN 11 13.452 16.467 0.437
78 HD22 ASN 11 HD22 ASN 11 13.806 18.064 0.996
79 H ASP 12 H ASP 12 11.775 13.028 1.734
80 HA ASP 12 HA ASP 12 9.623 15.008 1.519
81 HB2 ASP 12 HB2 ASP 12 11.153 13.764 -0.723
82 HB3 ASP 12 HB3 ASP 12 9.427 14.040 -0.941
83 H ILE 13 H ILE 13 10.532 11.684 0.599
84 HA ILE 13 HA ILE 13 7.835 10.740 0.756
85 HB ILE 13 HB ILE 13 9.559 9.718 -0.724
86 HG12 ILE 13 HG12 ILE 13 8.730 7.497 1.062
87 HG13 ILE 13 HG13 ILE 13 7.448 8.547 0.467
88 HG21 ILE 13 HG21 ILE 13 10.635 8.479 1.802
89 HG22 ILE 13 HG22 ILE 13 11.241 8.264 0.161
90 HG23 ILE 13 HG23 ILE 13 11.396 9.829 0.960
91 HD11 ILE 13 HD11 ILE 13 9.424 7.038 -1.228
92 HD12 ILE 13 HD12 ILE 13 7.733 6.610 -0.962
93 HD13 ILE 13 HD13 ILE 13 8.142 8.092 -1.826
94 H HIS 14 H HIS 14 6.888 9.437 2.311
95 HA HIS 14 HA HIS 14 8.077 9.653 4.972
96 HB2 HIS 14 HB2 HIS 14 5.843 9.052 5.800
97 HB3 HIS 14 HB3 HIS 14 5.771 10.432 4.708
98 HD1 HIS 14 HD1 HIS 14 5.015 6.731 4.789
99 HD2 HIS 14 HD2 HIS 14 4.149 10.102 2.521
100 HE1 HIS 14 HE1 HIS 14 3.243 6.007 3.158
101 H CYS 15 H CYS 15 8.139 7.844 6.411
102 HA CYS 15 HA CYS 15 8.785 5.368 5.023
103 HB2 CYS 15 HB2 CYS 15 9.026 5.687 7.988
104 HB3 CYS 15 HB3 CYS 15 10.047 4.782 6.875
105 H CYS 16 H CYS 16 7.979 3.312 5.731
106 HA CYS 16 HA CYS 16 5.183 3.251 6.057
107 HB2 CYS 16 HB2 CYS 16 7.370 1.254 5.955
108 HB3 CYS 16 HB3 CYS 16 5.881 0.735 6.739
109 H SER 17 H SER 17 3.936 2.391 7.807
110 HA SER 17 HA SER 17 4.381 3.554 10.264
111 HB2 SER 17 HB2 SER 17 2.882 0.956 10.073
112 HB3 SER 17 HB3 SER 17 2.512 2.382 11.043
113 HG SER 17 HG SER 17 1.559 1.765 8.670
114 H GLY 18 H GLY 18 6.055 3.262 11.580
115 HA2 GLY 18 HA2 GLY 18 6.766 1.524 13.298
116 HA3 GLY 18 HA3 GLY 18 7.129 0.531 11.895
117 H LEU 19 H LEU 19 7.968 3.197 10.566
118 HA LEU 19 HA LEU 19 10.675 3.219 11.725
119 HB2 LEU 19 HB2 LEU 19 9.753 3.741 8.906
120 HB3 LEU 19 HB3 LEU 19 11.402 4.001 9.470
121 HG LEU 19 HG LEU 19 10.015 1.323 9.506
122 HD11 LEU 19 HD11 LEU 19 10.249 2.140 7.210
123 HD12 LEU 19 HD12 LEU 19 11.322 0.779 7.531
124 HD13 LEU 19 HD13 LEU 19 11.969 2.419 7.487
125 HD21 LEU 19 HD21 LEU 19 12.013 1.911 11.050
126 HD22 LEU 19 HD22 LEU 19 12.965 1.816 9.568
127 HD23 LEU 19 HD23 LEU 19 12.051 0.412 10.122
128 H LYS 20 H LYS 20 11.831 5.234 11.722
129 HA LYS 20 HA LYS 20 10.029 7.546 11.974
130 HB2 LYS 20 HB2 LYS 20 12.500 6.701 13.411
131 HB3 LYS 20 HB3 LYS 20 12.205 8.425 13.227
132 HG2 LYS 20 HG2 LYS 20 9.785 7.594 14.102
133 HG3 LYS 20 HG3 LYS 20 10.848 6.442 14.913
134 HD2 LYS 20 HD2 LYS 20 12.003 8.134 16.050
135 HD3 LYS 20 HD3 LYS 20 11.404 9.392 14.966
136 HE2 LYS 20 HE2 LYS 20 9.098 8.308 16.016
137 HE3 LYS 20 HE3 LYS 20 10.215 8.277 17.380
138 HZ1 LYS 20 HZ1 LYS 20 10.087 10.471 17.597
139 HZ2 LYS 20 HZ2 LYS 20 8.769 10.428 16.539
140 HZ3 LYS 20 HZ3 LYS 20 10.320 10.747 15.944
141 H CYS 21 H CYS 21 10.632 9.556 11.114
142 HA CYS 21 HA CYS 21 12.418 9.352 8.811
143 HB2 CYS 21 HB2 CYS 21 10.275 10.236 8.256
144 HB3 CYS 21 HB3 CYS 21 10.315 11.363 9.608
145 H ASP 22 H ASP 22 14.455 9.531 9.699
146 HA ASP 22 HA ASP 22 15.252 11.349 11.668
147 HB2 ASP 22 HB2 ASP 22 16.489 9.305 10.532
148 HB3 ASP 22 HB3 ASP 22 17.164 10.570 9.508
149 H SER 23 H SER 23 14.734 13.454 11.455
150 HA SER 23 HA SER 23 14.868 14.851 8.964
151 HB2 SER 23 HB2 SER 23 13.325 15.385 10.925
152 HB3 SER 23 HB3 SER 23 14.728 16.117 11.703
153 HG SER 23 HG SER 23 13.138 17.110 9.756
154 H LYS 24 H LYS 24 17.174 13.969 11.260
155 HA LYS 24 HA LYS 24 18.932 16.232 10.830
156 HB2 LYS 24 HB2 LYS 24 19.257 13.643 12.350
157 HB3 LYS 24 HB3 LYS 24 20.531 14.847 12.215
158 HG2 LYS 24 HG2 LYS 24 17.827 15.583 13.265
159 HG3 LYS 24 HG3 LYS 24 19.045 14.848 14.309
160 HD2 LYS 24 HD2 LYS 24 20.277 16.939 12.822
161 HD3 LYS 24 HD3 LYS 24 18.789 17.565 13.534
162 HE2 LYS 24 HE2 LYS 24 19.567 17.378 15.650
163 HE3 LYS 24 HE3 LYS 24 20.471 15.905 15.300
164 HZ1 LYS 24 HZ1 LYS 24 21.316 18.679 15.148
165 HZ2 LYS 24 HZ2 LYS 24 21.862 17.681 13.895
166 HZ3 LYS 24 HZ3 LYS 24 22.215 17.290 15.503
167 H ARG 25 H ARG 25 18.784 12.810 9.927
168 HA ARG 25 HA ARG 25 21.078 13.200 8.141
169 HB2 ARG 25 HB2 ARG 25 19.698 10.678 9.076
170 HB3 ARG 25 HB3 ARG 25 21.046 10.715 7.947
171 HG2 ARG 25 HG2 ARG 25 22.306 11.962 9.801
172 HG3 ARG 25 HG3 ARG 25 21.021 11.386 10.864
173 HD2 ARG 25 HD2 ARG 25 22.444 9.638 11.105
174 HD3 ARG 25 HD3 ARG 25 21.615 9.087 9.650
175 HE ARG 25 HE ARG 25 23.919 10.692 9.085
176 HH11 ARG 25 HH11 ARG 25 22.818 7.482 9.863
177 HH12 ARG 25 HH12 ARG 25 24.179 6.697 9.134
178 HH21 ARG 25 HH21 ARG 25 25.716 9.670 8.121
179 HH22 ARG 25 HH22 ARG 25 25.828 7.943 8.144
180 H LYS 26 H LYS 26 17.869 13.584 7.981
181 HA LYS 26 HA LYS 26 16.285 13.544 6.343
182 HB2 LYS 26 HB2 LYS 26 18.761 13.706 4.616
183 HB3 LYS 26 HB3 LYS 26 17.123 13.996 4.045
184 HG2 LYS 26 HG2 LYS 26 16.954 15.841 5.725
185 HG3 LYS 26 HG3 LYS 26 18.674 15.613 6.051
186 HD2 LYS 26 HD2 LYS 26 17.857 15.943 3.219
187 HD3 LYS 26 HD3 LYS 26 17.772 17.368 4.257
188 HE2 LYS 26 HE2 LYS 26 19.930 17.587 3.609
189 HE3 LYS 26 HE3 LYS 26 20.196 16.474 4.950
190 HZ1 LYS 26 HZ1 LYS 26 21.361 15.763 2.956
191 HZ2 LYS 26 HZ2 LYS 26 19.906 15.700 2.097
192 HZ3 LYS 26 HZ3 LYS 26 20.173 14.636 3.385
193 H VAL 27 H VAL 27 16.832 11.029 7.327
194 HA VAL 27 HA VAL 27 16.112 9.393 5.037
195 HB VAL 27 HB VAL 27 17.734 7.596 5.719
196 HG11 VAL 27 HG11 VAL 27 19.656 8.630 4.554
197 HG12 VAL 27 HG12 VAL 27 18.122 8.900 3.726
198 HG13 VAL 27 HG13 VAL 27 18.853 10.195 4.675
199 HG21 VAL 27 HG21 VAL 27 19.490 9.633 6.950
200 HG22 VAL 27 HG22 VAL 27 18.161 9.027 7.938
201 HG23 VAL 27 HG23 VAL 27 19.352 7.906 7.279
202 H CYS 28 H CYS 28 15.418 7.186 5.723
203 HA CYS 28 HA CYS 28 13.809 7.406 8.121
204 HB2 CYS 28 HB2 CYS 28 13.980 5.265 5.992
205 HB3 CYS 28 HB3 CYS 28 12.864 5.219 7.353
206 H VAL 29 H VAL 29 14.017 6.222 9.964
207 HA VAL 29 HA VAL 29 16.186 4.245 10.103
208 HB VAL 29 HB VAL 29 16.834 5.130 12.333
209 HG11 VAL 29 HG11 VAL 29 18.141 5.687 10.355
210 HG12 VAL 29 HG12 VAL 29 17.103 7.080 10.047
211 HG13 VAL 29 HG13 VAL 29 18.118 7.037 11.489
212 HG21 VAL 29 HG21 VAL 29 15.874 6.920 13.316
213 HG22 VAL 29 HG22 VAL 29 15.619 7.759 11.785
214 HG23 VAL 29 HG23 VAL 29 14.505 6.489 12.290
215 H LYS 30 H LYS 30 16.085 3.034 12.252
216 HA LYS 30 HA LYS 30 13.404 2.026 12.558
217 HB2 LYS 30 HB2 LYS 30 15.368 0.525 12.525
218 HB3 LYS 30 HB3 LYS 30 15.941 1.262 14.016
219 HG2 LYS 30 HG2 LYS 30 14.306 0.267 15.296
220 HG3 LYS 30 HG3 LYS 30 13.218 0.047 13.924
221 HD2 LYS 30 HD2 LYS 30 14.021 -2.107 14.433
222 HD3 LYS 30 HD3 LYS 30 14.943 -1.591 13.019
223 HE2 LYS 30 HE2 LYS 30 16.487 -2.578 14.529
224 HE3 LYS 30 HE3 LYS 30 16.745 -0.835 14.598
225 HZ1 LYS 30 HZ1 LYS 30 15.064 -1.012 16.563
226 HZ2 LYS 30 HZ2 LYS 30 16.700 -1.364 16.806
227 HZ3 LYS 30 HZ3 LYS 30 15.584 -2.621 16.615
228 H GLY 31 H GLY 31 12.024 3.225 13.721
229 HA2 GLY 31 HA2 GLY 31 11.137 4.432 15.463
230 HA3 GLY 31 HA3 GLY 31 12.144 3.412 16.479
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.678 0.707 -2.441
2 HA2 GLY 1 HA2 GLY 1 1.513 2.199 -0.070
3 HA3 GLY 1 HA3 GLY 1 2.042 0.575 0.344
4 H TYR 2 H TYR 2 4.131 0.021 0.045
5 HA TYR 2 HA TYR 2 6.365 0.276 -0.300
6 HB2 TYR 2 HB2 TYR 2 5.819 0.056 -2.638
7 HB3 TYR 2 HB3 TYR 2 5.336 1.746 -2.733
8 HD1 TYR 2 HD1 TYR 2 6.863 3.314 -3.499
9 HD2 TYR 2 HD2 TYR 2 8.304 -0.372 -1.936
10 HE1 TYR 2 HE1 TYR 2 9.149 3.934 -4.161
11 HE2 TYR 2 HE2 TYR 2 10.594 0.238 -2.593
12 HH TYR 2 HH TYR 2 11.259 3.015 -4.573
13 H CYS 3 H CYS 3 6.647 1.537 1.583
14 HA CYS 3 HA CYS 3 6.762 4.442 1.206
15 HB2 CYS 3 HB2 CYS 3 7.300 3.232 3.865
16 HB3 CYS 3 HB3 CYS 3 6.396 4.685 3.451
17 H ALA 4 H ALA 4 8.603 5.214 3.027
18 HA ALA 4 HA ALA 4 11.083 4.418 1.734
19 HB1 ALA 4 HB1 ALA 4 10.932 6.733 1.908
20 HB2 ALA 4 HB2 ALA 4 10.307 6.666 3.556
21 HB3 ALA 4 HB3 ALA 4 12.001 6.292 3.240
22 H THR 5 H THR 5 12.036 2.648 2.512
23 HA THR 5 HA THR 5 11.792 1.900 5.295
24 HB THR 5 HB THR 5 13.427 0.033 4.503
25 HG1 THR 5 HG1 THR 5 13.219 -0.287 2.195
26 HG21 THR 5 HG21 THR 5 11.136 -0.627 2.987
27 HG22 THR 5 HG22 THR 5 10.591 0.373 4.334
28 HG23 THR 5 HG23 THR 5 11.513 -1.097 4.644
29 H LYS 6 H LYS 6 13.900 1.062 6.357
30 HA LYS 6 HA LYS 6 15.491 3.165 7.089
31 HB2 LYS 6 HB2 LYS 6 15.434 1.048 8.308
32 HB3 LYS 6 HB3 LYS 6 16.265 0.243 6.983
33 HG2 LYS 6 HG2 LYS 6 18.286 1.281 7.449
34 HG3 LYS 6 HG3 LYS 6 17.519 2.578 8.370
35 HD2 LYS 6 HD2 LYS 6 16.769 0.511 9.878
36 HD3 LYS 6 HD3 LYS 6 18.246 -0.177 9.198
37 HE2 LYS 6 HE2 LYS 6 18.218 2.565 10.413
38 HE3 LYS 6 HE3 LYS 6 18.400 1.126 11.415
39 HZ1 LYS 6 HZ1 LYS 6 20.221 0.644 9.548
40 HZ2 LYS 6 HZ2 LYS 6 20.566 1.477 10.979
41 HZ3 LYS 6 HZ3 LYS 6 20.272 2.336 9.551
42 H GLY 7 H GLY 7 17.222 4.216 6.297
43 HA2 GLY 7 HA2 GLY 7 19.196 4.473 5.038
44 HA3 GLY 7 HA3 GLY 7 18.788 3.017 4.143
45 H ILE 8 H ILE 8 15.978 4.209 3.858
46 HA ILE 8 HA ILE 8 16.538 5.553 1.353
47 HB ILE 8 HB ILE 8 13.838 4.992 2.577
48 HG12 ILE 8 HG12 ILE 8 15.170 2.917 2.362
49 HG13 ILE 8 HG13 ILE 8 13.796 2.941 1.262
50 HG21 ILE 8 HG21 ILE 8 13.312 4.926 0.026
51 HG22 ILE 8 HG22 ILE 8 13.458 6.475 0.854
52 HG23 ILE 8 HG23 ILE 8 14.800 5.863 -0.112
53 HD11 ILE 8 HD11 ILE 8 15.145 2.583 -0.446
54 HD12 ILE 8 HD12 ILE 8 16.043 4.055 -0.073
55 HD13 ILE 8 HD13 ILE 8 16.515 2.523 0.662
56 H LYS 9 H LYS 9 16.568 7.679 1.064
57 HA LYS 9 HA LYS 9 16.453 9.552 3.087
58 HB2 LYS 9 HB2 LYS 9 15.885 9.926 0.142
59 HB3 LYS 9 HB3 LYS 9 16.166 11.241 1.275
60 HG2 LYS 9 HG2 LYS 9 18.238 9.154 1.221
61 HG3 LYS 9 HG3 LYS 9 18.081 10.119 -0.249
62 HD2 LYS 9 HD2 LYS 9 17.950 11.998 1.769
63 HD3 LYS 9 HD3 LYS 9 19.152 10.847 2.359
64 HE2 LYS 9 HE2 LYS 9 20.600 11.265 0.626
65 HE3 LYS 9 HE3 LYS 9 19.314 11.770 -0.469
66 HZ1 LYS 9 HZ1 LYS 9 20.695 13.316 1.611
67 HZ2 LYS 9 HZ2 LYS 9 19.101 13.721 1.215
68 HZ3 LYS 9 HZ3 LYS 9 20.304 13.758 0.025
69 H CYS 10 H CYS 10 14.910 10.936 3.899
70 HA CYS 10 HA CYS 10 12.129 10.418 3.075
71 HB2 CYS 10 HB2 CYS 10 11.395 10.460 5.330
72 HB3 CYS 10 HB3 CYS 10 12.805 9.406 5.307
73 H ASN 11 H ASN 11 14.104 12.541 2.353
74 HA ASN 11 HA ASN 11 13.594 14.964 3.606
75 HB2 ASN 11 HB2 ASN 11 14.112 14.500 0.659
76 HB3 ASN 11 HB3 ASN 11 14.320 16.024 1.515
77 HD21 ASN 11 HD21 ASN 11 16.349 16.462 1.929
78 HD22 ASN 11 HD22 ASN 11 17.588 15.319 2.304
79 H ASP 12 H ASP 12 11.600 13.107 1.475
80 HA ASP 12 HA ASP 12 9.478 15.102 1.764
81 HB2 ASP 12 HB2 ASP 12 10.745 15.198 -0.524
82 HB3 ASP 12 HB3 ASP 12 9.820 13.743 -0.887
83 H ILE 13 H ILE 13 10.355 11.833 0.708
84 HA ILE 13 HA ILE 13 7.673 10.840 0.949
85 HB ILE 13 HB ILE 13 9.362 9.871 -0.616
86 HG12 ILE 13 HG12 ILE 13 8.728 7.522 0.996
87 HG13 ILE 13 HG13 ILE 13 7.359 8.616 0.833
88 HG21 ILE 13 HG21 ILE 13 10.546 8.691 1.894
89 HG22 ILE 13 HG22 ILE 13 11.045 8.345 0.239
90 HG23 ILE 13 HG23 ILE 13 11.283 9.957 0.913
91 HD11 ILE 13 HD11 ILE 13 7.312 6.946 -0.904
92 HD12 ILE 13 HD12 ILE 13 7.619 8.535 -1.607
93 HD13 ILE 13 HD13 ILE 13 8.943 7.387 -1.410
94 H HIS 14 H HIS 14 6.804 9.552 2.546
95 HA HIS 14 HA HIS 14 8.137 9.729 5.141
96 HB2 HIS 14 HB2 HIS 14 5.626 10.346 4.566
97 HB3 HIS 14 HB3 HIS 14 5.381 8.622 4.828
98 HD1 HIS 14 HD1 HIS 14 4.387 8.405 7.081
99 HD2 HIS 14 HD2 HIS 14 7.493 11.163 7.019
100 HE1 HIS 14 HE1 HIS 14 4.687 9.133 9.469
101 H CYS 15 H CYS 15 8.148 7.883 6.585
102 HA CYS 15 HA CYS 15 8.793 5.437 5.143
103 HB2 CYS 15 HB2 CYS 15 9.021 5.690 8.115
104 HB3 CYS 15 HB3 CYS 15 10.043 4.803 6.988
105 H CYS 16 H CYS 16 7.972 3.370 5.785
106 HA CYS 16 HA CYS 16 5.174 3.319 6.114
107 HB2 CYS 16 HB2 CYS 16 7.346 1.310 5.935
108 HB3 CYS 16 HB3 CYS 16 5.852 0.776 6.700
109 H SER 17 H SER 17 3.935 2.373 7.836
110 HA SER 17 HA SER 17 4.378 3.456 10.329
111 HB2 SER 17 HB2 SER 17 2.848 0.902 9.780
112 HB3 SER 17 HB3 SER 17 2.629 1.986 11.154
113 HG SER 17 HG SER 17 1.523 3.319 9.937
114 H GLY 18 H GLY 18 6.156 3.153 11.517
115 HA2 GLY 18 HA2 GLY 18 6.884 1.393 13.221
116 HA3 GLY 18 HA3 GLY 18 7.196 0.408 11.800
117 H LEU 19 H LEU 19 7.967 3.222 10.594
118 HA LEU 19 HA LEU 19 10.712 3.200 11.665
119 HB2 LEU 19 HB2 LEU 19 9.785 3.647 8.833
120 HB3 LEU 19 HB3 LEU 19 11.438 3.900 9.391
121 HG LEU 19 HG LEU 19 10.013 1.244 9.481
122 HD11 LEU 19 HD11 LEU 19 11.985 2.288 7.454
123 HD12 LEU 19 HD12 LEU 19 10.273 1.977 7.172
124 HD13 LEU 19 HD13 LEU 19 11.363 0.640 7.539
125 HD21 LEU 19 HD21 LEU 19 11.966 1.779 11.056
126 HD22 LEU 19 HD22 LEU 19 12.967 1.752 9.604
127 HD23 LEU 19 HD23 LEU 19 12.067 0.312 10.082
128 H LYS 20 H LYS 20 11.796 5.182 11.821
129 HA LYS 20 HA LYS 20 10.006 7.509 11.890
130 HB2 LYS 20 HB2 LYS 20 11.601 8.502 13.442
131 HB3 LYS 20 HB3 LYS 20 11.104 6.913 14.010
132 HG2 LYS 20 HG2 LYS 20 13.162 5.979 13.629
133 HG3 LYS 20 HG3 LYS 20 13.581 7.148 12.375
134 HD2 LYS 20 HD2 LYS 20 14.902 7.524 14.390
135 HD3 LYS 20 HD3 LYS 20 13.824 8.888 14.082
136 HE2 LYS 20 HE2 LYS 20 12.735 8.587 16.009
137 HE3 LYS 20 HE3 LYS 20 12.597 6.849 15.752
138 HZ1 LYS 20 HZ1 LYS 20 15.220 7.899 16.495
139 HZ2 LYS 20 HZ2 LYS 20 14.488 6.432 16.907
140 HZ3 LYS 20 HZ3 LYS 20 14.032 7.855 17.699
141 H CYS 21 H CYS 21 10.595 9.470 10.957
142 HA CYS 21 HA CYS 21 12.516 9.227 8.771
143 HB2 CYS 21 HB2 CYS 21 10.415 10.049 8.041
144 HB3 CYS 21 HB3 CYS 21 10.310 11.190 9.378
145 H ASP 22 H ASP 22 14.512 9.519 9.674
146 HA ASP 22 HA ASP 22 15.165 11.406 11.647
147 HB2 ASP 22 HB2 ASP 22 16.502 9.357 10.636
148 HB3 ASP 22 HB3 ASP 22 17.200 10.608 9.610
149 H SER 23 H SER 23 14.637 13.494 11.352
150 HA SER 23 HA SER 23 14.821 14.817 8.828
151 HB2 SER 23 HB2 SER 23 14.463 16.895 10.335
152 HB3 SER 23 HB3 SER 23 13.170 15.700 10.240
153 HG SER 23 HG SER 23 14.885 16.313 12.348
154 H LYS 24 H LYS 24 17.089 14.026 11.189
155 HA LYS 24 HA LYS 24 18.831 16.295 10.743
156 HB2 LYS 24 HB2 LYS 24 19.319 13.710 12.236
157 HB3 LYS 24 HB3 LYS 24 20.385 15.109 12.240
158 HG2 LYS 24 HG2 LYS 24 18.109 16.279 13.043
159 HG3 LYS 24 HG3 LYS 24 17.851 14.650 13.672
160 HD2 LYS 24 HD2 LYS 24 19.265 15.029 15.347
161 HD3 LYS 24 HD3 LYS 24 20.541 15.479 14.213
162 HE2 LYS 24 HE2 LYS 24 18.355 17.374 15.036
163 HE3 LYS 24 HE3 LYS 24 19.870 17.227 15.926
164 HZ1 LYS 24 HZ1 LYS 24 19.370 18.364 13.282
165 HZ2 LYS 24 HZ2 LYS 24 20.845 17.571 13.518
166 HZ3 LYS 24 HZ3 LYS 24 20.423 18.883 14.500
167 H ARG 25 H ARG 25 18.742 12.855 9.898
168 HA ARG 25 HA ARG 25 21.052 13.248 8.134
169 HB2 ARG 25 HB2 ARG 25 19.699 10.683 8.993
170 HB3 ARG 25 HB3 ARG 25 21.167 10.804 8.031
171 HG2 ARG 25 HG2 ARG 25 21.057 12.062 10.735
172 HG3 ARG 25 HG3 ARG 25 21.317 10.324 10.575
173 HD2 ARG 25 HD2 ARG 25 23.468 10.712 10.189
174 HD3 ARG 25 HD3 ARG 25 23.023 11.573 8.716
175 HE ARG 25 HE ARG 25 23.595 13.509 9.764
176 HH11 ARG 25 HH11 ARG 25 22.854 11.126 12.190
177 HH12 ARG 25 HH12 ARG 25 23.281 12.154 13.518
178 HH21 ARG 25 HH21 ARG 25 24.160 14.873 11.503
179 HH22 ARG 25 HH22 ARG 25 24.023 14.286 13.125
180 H LYS 26 H LYS 26 17.847 13.589 7.922
181 HA LYS 26 HA LYS 26 16.286 13.496 6.265
182 HB2 LYS 26 HB2 LYS 26 18.617 13.462 4.355
183 HB3 LYS 26 HB3 LYS 26 17.017 14.143 4.097
184 HG2 LYS 26 HG2 LYS 26 17.894 16.102 4.656
185 HG3 LYS 26 HG3 LYS 26 17.958 15.498 6.314
186 HD2 LYS 26 HD2 LYS 26 20.219 14.420 5.408
187 HD3 LYS 26 HD3 LYS 26 20.125 15.797 4.308
188 HE2 LYS 26 HE2 LYS 26 19.558 16.512 7.073
189 HE3 LYS 26 HE3 LYS 26 21.165 15.818 6.862
190 HZ1 LYS 26 HZ1 LYS 26 21.336 17.461 4.920
191 HZ2 LYS 26 HZ2 LYS 26 21.493 18.063 6.492
192 HZ3 LYS 26 HZ3 LYS 26 20.037 18.259 5.653
193 H VAL 27 H VAL 27 16.904 11.003 7.328
194 HA VAL 27 HA VAL 27 16.167 9.301 5.092
195 HB VAL 27 HB VAL 27 17.838 7.554 5.754
196 HG11 VAL 27 HG11 VAL 27 19.727 8.617 4.560
197 HG12 VAL 27 HG12 VAL 27 18.177 8.854 3.750
198 HG13 VAL 27 HG13 VAL 27 18.896 10.167 4.684
199 HG21 VAL 27 HG21 VAL 27 18.271 9.030 7.954
200 HG22 VAL 27 HG22 VAL 27 19.449 7.888 7.308
201 HG23 VAL 27 HG23 VAL 27 19.596 9.607 6.944
202 H CYS 28 H CYS 28 15.506 7.112 5.833
203 HA CYS 28 HA CYS 28 13.990 7.352 8.294
204 HB2 CYS 28 HB2 CYS 28 14.050 5.217 6.154
205 HB3 CYS 28 HB3 CYS 28 13.000 5.168 7.566
206 H VAL 29 H VAL 29 14.173 6.026 10.080
207 HA VAL 29 HA VAL 29 16.229 3.972 10.142
208 HB VAL 29 HB VAL 29 17.365 4.890 12.098
209 HG11 VAL 29 HG11 VAL 29 17.298 6.905 9.855
210 HG12 VAL 29 HG12 VAL 29 18.615 6.637 10.999
211 HG13 VAL 29 HG13 VAL 29 18.199 5.390 9.823
212 HG21 VAL 29 HG21 VAL 29 15.569 6.180 13.068
213 HG22 VAL 29 HG22 VAL 29 16.955 7.231 12.780
214 HG23 VAL 29 HG23 VAL 29 15.570 7.280 11.689
215 H LYS 30 H LYS 30 16.225 2.781 12.223
216 HA LYS 30 HA LYS 30 13.583 2.094 12.972
217 HB2 LYS 30 HB2 LYS 30 15.833 0.724 13.043
218 HB3 LYS 30 HB3 LYS 30 15.929 1.366 14.677
219 HG2 LYS 30 HG2 LYS 30 14.228 0.084 15.431
220 HG3 LYS 30 HG3 LYS 30 13.359 0.139 13.895
221 HD2 LYS 30 HD2 LYS 30 15.909 -1.286 13.754
222 HD3 LYS 30 HD3 LYS 30 14.748 -2.018 14.864
223 HE2 LYS 30 HE2 LYS 30 14.286 -3.037 12.818
224 HE3 LYS 30 HE3 LYS 30 13.063 -1.774 12.944
225 HZ1 LYS 30 HZ1 LYS 30 15.533 -1.003 11.634
226 HZ2 LYS 30 HZ2 LYS 30 13.932 -0.641 11.227
227 HZ3 LYS 30 HZ3 LYS 30 14.596 -2.137 10.799
228 H GLY 31 H GLY 31 12.291 2.891 14.504
229 HA2 GLY 31 HA2 GLY 31 12.675 3.619 17.031
230 HA3 GLY 31 HA3 GLY 31 13.309 5.032 16.201
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.023 1.101 1.431
2 HA2 GLY 1 HA2 GLY 1 1.801 0.294 -0.631
3 HA3 GLY 1 HA3 GLY 1 1.288 1.919 -1.060
4 H TYR 2 H TYR 2 4.059 -0.033 -0.085
5 HA TYR 2 HA TYR 2 6.298 0.210 -0.417
6 HB2 TYR 2 HB2 TYR 2 5.719 0.001 -2.747
7 HB3 TYR 2 HB3 TYR 2 5.258 1.698 -2.834
8 HD1 TYR 2 HD1 TYR 2 6.736 2.972 -4.049
9 HD2 TYR 2 HD2 TYR 2 8.268 -0.190 -1.649
10 HE1 TYR 2 HE1 TYR 2 9.021 3.560 -4.743
11 HE2 TYR 2 HE2 TYR 2 10.557 0.391 -2.335
12 HH TYR 2 HH TYR 2 11.837 1.838 -3.442
13 H CYS 3 H CYS 3 6.630 1.463 1.462
14 HA CYS 3 HA CYS 3 6.781 4.367 1.089
15 HB2 CYS 3 HB2 CYS 3 7.342 3.142 3.737
16 HB3 CYS 3 HB3 CYS 3 6.456 4.610 3.340
17 H ALA 4 H ALA 4 8.662 5.107 2.882
18 HA ALA 4 HA ALA 4 11.112 4.232 1.568
19 HB1 ALA 4 HB1 ALA 4 12.079 6.155 2.986
20 HB2 ALA 4 HB2 ALA 4 11.014 6.553 1.637
21 HB3 ALA 4 HB3 ALA 4 10.393 6.577 3.287
22 H THR 5 H THR 5 12.083 2.509 2.416
23 HA THR 5 HA THR 5 11.829 1.859 5.222
24 HB THR 5 HB THR 5 13.478 -0.026 4.506
25 HG1 THR 5 HG1 THR 5 13.607 -0.369 2.318
26 HG21 THR 5 HG21 THR 5 10.642 0.294 4.303
27 HG22 THR 5 HG22 THR 5 11.568 -1.161 4.668
28 HG23 THR 5 HG23 THR 5 11.202 -0.745 2.994
29 H LYS 6 H LYS 6 13.953 1.046 6.302
30 HA LYS 6 HA LYS 6 15.518 3.175 7.004
31 HB2 LYS 6 HB2 LYS 6 15.408 0.880 8.089
32 HB3 LYS 6 HB3 LYS 6 16.577 0.352 6.885
33 HG2 LYS 6 HG2 LYS 6 18.222 1.871 7.713
34 HG3 LYS 6 HG3 LYS 6 17.048 2.636 8.787
35 HD2 LYS 6 HD2 LYS 6 17.833 1.234 10.348
36 HD3 LYS 6 HD3 LYS 6 16.887 -0.002 9.516
37 HE2 LYS 6 HE2 LYS 6 19.155 0.010 8.028
38 HE3 LYS 6 HE3 LYS 6 19.797 0.411 9.620
39 HZ1 LYS 6 HZ1 LYS 6 18.656 -2.069 8.658
40 HZ2 LYS 6 HZ2 LYS 6 18.150 -1.612 10.206
41 HZ3 LYS 6 HZ3 LYS 6 19.798 -1.803 9.878
42 H GLY 7 H GLY 7 17.186 4.273 6.162
43 HA2 GLY 7 HA2 GLY 7 19.191 4.497 4.915
44 HA3 GLY 7 HA3 GLY 7 18.745 3.070 3.991
45 H ILE 8 H ILE 8 15.956 4.269 3.741
46 HA ILE 8 HA ILE 8 16.510 5.702 1.286
47 HB ILE 8 HB ILE 8 13.819 5.072 2.499
48 HG12 ILE 8 HG12 ILE 8 15.169 3.025 2.160
49 HG13 ILE 8 HG13 ILE 8 13.782 3.093 1.079
50 HG21 ILE 8 HG21 ILE 8 13.207 5.165 0.002
51 HG22 ILE 8 HG22 ILE 8 13.479 6.684 0.855
52 HG23 ILE 8 HG23 ILE 8 14.736 6.023 -0.190
53 HD11 ILE 8 HD11 ILE 8 16.046 4.294 -0.187
54 HD12 ILE 8 HD12 ILE 8 16.468 2.689 0.410
55 HD13 ILE 8 HD13 ILE 8 15.098 2.892 -0.682
56 H LYS 9 H LYS 9 16.437 7.837 1.014
57 HA LYS 9 HA LYS 9 16.400 9.661 3.081
58 HB2 LYS 9 HB2 LYS 9 15.501 10.243 0.255
59 HB3 LYS 9 HB3 LYS 9 16.175 11.388 1.408
60 HG2 LYS 9 HG2 LYS 9 18.006 9.227 1.071
61 HG3 LYS 9 HG3 LYS 9 17.533 9.844 -0.514
62 HD2 LYS 9 HD2 LYS 9 18.014 12.161 0.407
63 HD3 LYS 9 HD3 LYS 9 18.776 11.350 1.777
64 HE2 LYS 9 HE2 LYS 9 20.024 10.058 -0.178
65 HE3 LYS 9 HE3 LYS 9 19.651 11.542 -1.055
66 HZ1 LYS 9 HZ1 LYS 9 21.435 12.413 -0.101
67 HZ2 LYS 9 HZ2 LYS 9 21.638 11.080 0.920
68 HZ3 LYS 9 HZ3 LYS 9 20.627 12.354 1.384
69 H CYS 10 H CYS 10 14.881 10.973 4.032
70 HA CYS 10 HA CYS 10 12.066 10.392 3.381
71 HB2 CYS 10 HB2 CYS 10 11.487 10.306 5.642
72 HB3 CYS 10 HB3 CYS 10 13.034 9.466 5.598
73 H ASN 11 H ASN 11 14.137 12.622 2.779
74 HA ASN 11 HA ASN 11 13.299 14.987 4.027
75 HB2 ASN 11 HB2 ASN 11 15.342 15.059 2.829
76 HB3 ASN 11 HB3 ASN 11 14.592 14.446 1.358
77 HD21 ASN 11 HD21 ASN 11 14.242 15.896 -0.146
78 HD22 ASN 11 HD22 ASN 11 13.996 17.588 0.102
79 H ASP 12 H ASP 12 11.771 13.036 1.669
80 HA ASP 12 HA ASP 12 9.626 15.020 1.429
81 HB2 ASP 12 HB2 ASP 12 11.181 15.013 -0.610
82 HB3 ASP 12 HB3 ASP 12 10.527 13.414 -0.957
83 H ILE 13 H ILE 13 10.543 11.694 0.525
84 HA ILE 13 HA ILE 13 7.843 10.752 0.652
85 HB ILE 13 HB ILE 13 9.572 9.722 -0.807
86 HG12 ILE 13 HG12 ILE 13 8.913 7.381 -0.350
87 HG13 ILE 13 HG13 ILE 13 8.302 7.873 1.225
88 HG21 ILE 13 HG21 ILE 13 11.258 8.280 0.094
89 HG22 ILE 13 HG22 ILE 13 11.406 9.855 0.872
90 HG23 ILE 13 HG23 ILE 13 10.651 8.515 1.733
91 HD11 ILE 13 HD11 ILE 13 7.151 9.479 -0.866
92 HD12 ILE 13 HD12 ILE 13 6.896 7.760 -1.166
93 HD13 ILE 13 HD13 ILE 13 6.362 8.478 0.353
94 H HIS 14 H HIS 14 6.887 9.429 2.192
95 HA HIS 14 HA HIS 14 8.029 9.671 4.871
96 HB2 HIS 14 HB2 HIS 14 5.783 9.016 5.656
97 HB3 HIS 14 HB3 HIS 14 5.723 10.417 4.591
98 HD1 HIS 14 HD1 HIS 14 4.956 6.723 4.616
99 HD2 HIS 14 HD2 HIS 14 4.189 10.106 2.329
100 HE1 HIS 14 HE1 HIS 14 3.235 6.016 2.924
101 H CYS 15 H CYS 15 8.144 7.878 6.306
102 HA CYS 15 HA CYS 15 8.811 5.398 4.936
103 HB2 CYS 15 HB2 CYS 15 9.066 5.759 7.897
104 HB3 CYS 15 HB3 CYS 15 10.084 4.839 6.794
105 H CYS 16 H CYS 16 8.019 3.344 5.627
106 HA CYS 16 HA CYS 16 5.225 3.276 6.021
107 HB2 CYS 16 HB2 CYS 16 7.407 1.282 5.796
108 HB3 CYS 16 HB3 CYS 16 5.940 0.742 6.607
109 H SER 17 H SER 17 4.060 2.266 7.784
110 HA SER 17 HA SER 17 4.525 3.396 10.253
111 HB2 SER 17 HB2 SER 17 2.457 2.067 9.257
112 HB3 SER 17 HB3 SER 17 3.169 0.735 10.168
113 HG SER 17 HG SER 17 2.345 1.597 11.884
114 H GLY 18 H GLY 18 6.028 3.083 11.748
115 HA2 GLY 18 HA2 GLY 18 6.958 1.404 13.323
116 HA3 GLY 18 HA3 GLY 18 7.296 0.417 11.908
117 H LEU 19 H LEU 19 8.019 3.098 10.544
118 HA LEU 19 HA LEU 19 10.760 3.203 11.617
119 HB2 LEU 19 HB2 LEU 19 9.754 3.692 8.818
120 HB3 LEU 19 HB3 LEU 19 11.417 3.948 9.342
121 HG LEU 19 HG LEU 19 10.013 1.279 9.390
122 HD11 LEU 19 HD11 LEU 19 11.999 2.345 7.388
123 HD12 LEU 19 HD12 LEU 19 10.274 2.126 7.098
124 HD13 LEU 19 HD13 LEU 19 11.298 0.726 7.415
125 HD21 LEU 19 HD21 LEU 19 11.950 1.746 10.976
126 HD22 LEU 19 HD22 LEU 19 12.961 1.838 9.533
127 HD23 LEU 19 HD23 LEU 19 12.101 0.345 9.915
128 H LYS 20 H LYS 20 11.823 5.220 11.712
129 HA LYS 20 HA LYS 20 9.976 7.501 11.890
130 HB2 LYS 20 HB2 LYS 20 11.586 8.506 13.416
131 HB3 LYS 20 HB3 LYS 20 11.142 6.897 13.972
132 HG2 LYS 20 HG2 LYS 20 13.219 6.066 13.666
133 HG3 LYS 20 HG3 LYS 20 13.533 7.073 12.251
134 HD2 LYS 20 HD2 LYS 20 14.699 8.484 13.512
135 HD3 LYS 20 HD3 LYS 20 13.272 8.781 14.507
136 HE2 LYS 20 HE2 LYS 20 14.003 6.440 15.543
137 HE3 LYS 20 HE3 LYS 20 15.583 6.978 14.973
138 HZ1 LYS 20 HZ1 LYS 20 14.390 7.683 17.324
139 HZ2 LYS 20 HZ2 LYS 20 14.166 9.045 16.347
140 HZ3 LYS 20 HZ3 LYS 20 15.724 8.446 16.618
141 H CYS 21 H CYS 21 10.589 9.538 11.064
142 HA CYS 21 HA CYS 21 12.380 9.350 8.763
143 HB2 CYS 21 HB2 CYS 21 10.233 10.240 8.220
144 HB3 CYS 21 HB3 CYS 21 10.284 11.365 9.573
145 H ASP 22 H ASP 22 14.411 9.507 9.679
146 HA ASP 22 HA ASP 22 15.206 11.316 11.654
147 HB2 ASP 22 HB2 ASP 22 16.450 9.276 10.578
148 HB3 ASP 22 HB3 ASP 22 17.094 10.492 9.478
149 H SER 23 H SER 23 14.694 13.423 11.446
150 HA SER 23 HA SER 23 14.848 14.831 8.963
151 HB2 SER 23 HB2 SER 23 14.240 16.799 10.258
152 HB3 SER 23 HB3 SER 23 13.251 15.433 10.773
153 HG SER 23 HG SER 23 13.970 16.348 12.625
154 H LYS 24 H LYS 24 17.139 13.929 11.265
155 HA LYS 24 HA LYS 24 18.908 16.187 10.859
156 HB2 LYS 24 HB2 LYS 24 19.330 13.563 12.302
157 HB3 LYS 24 HB3 LYS 24 20.474 14.898 12.287
158 HG2 LYS 24 HG2 LYS 24 17.954 15.913 13.103
159 HG3 LYS 24 HG3 LYS 24 18.294 14.455 14.038
160 HD2 LYS 24 HD2 LYS 24 19.285 16.134 15.303
161 HD3 LYS 24 HD3 LYS 24 20.638 15.494 14.367
162 HE2 LYS 24 HE2 LYS 24 19.180 17.656 13.039
163 HE3 LYS 24 HE3 LYS 24 19.947 18.134 14.552
164 HZ1 LYS 24 HZ1 LYS 24 21.780 16.589 13.137
165 HZ2 LYS 24 HZ2 LYS 24 21.862 18.244 13.476
166 HZ3 LYS 24 HZ3 LYS 24 21.140 17.710 12.043
167 H ARG 25 H ARG 25 18.763 12.769 9.935
168 HA ARG 25 HA ARG 25 21.056 13.173 8.152
169 HB2 ARG 25 HB2 ARG 25 19.682 10.641 9.070
170 HB3 ARG 25 HB3 ARG 25 21.036 10.691 7.949
171 HG2 ARG 25 HG2 ARG 25 21.504 12.114 10.464
172 HG3 ARG 25 HG3 ARG 25 21.243 10.377 10.639
173 HD2 ARG 25 HD2 ARG 25 23.106 9.837 9.387
174 HD3 ARG 25 HD3 ARG 25 23.111 11.383 8.539
175 HE ARG 25 HE ARG 25 23.618 11.772 11.292
176 HH11 ARG 25 HH11 ARG 25 25.108 10.591 8.376
177 HH12 ARG 25 HH12 ARG 25 26.719 10.969 8.891
178 HH21 ARG 25 HH21 ARG 25 25.734 12.274 11.982
179 HH22 ARG 25 HH22 ARG 25 27.074 11.925 10.942
180 H LYS 26 H LYS 26 17.850 13.559 7.989
181 HA LYS 26 HA LYS 26 16.266 13.520 6.351
182 HB2 LYS 26 HB2 LYS 26 18.610 13.556 4.449
183 HB3 LYS 26 HB3 LYS 26 16.992 14.184 4.166
184 HG2 LYS 26 HG2 LYS 26 17.831 15.551 6.411
185 HG3 LYS 26 HG3 LYS 26 19.284 15.443 5.415
186 HD2 LYS 26 HD2 LYS 26 17.418 16.109 3.556
187 HD3 LYS 26 HD3 LYS 26 16.795 16.947 4.979
188 HE2 LYS 26 HE2 LYS 26 19.575 17.390 4.935
189 HE3 LYS 26 HE3 LYS 26 19.003 17.638 3.286
190 HZ1 LYS 26 HZ1 LYS 26 18.292 19.099 5.735
191 HZ2 LYS 26 HZ2 LYS 26 17.176 19.024 4.466
192 HZ3 LYS 26 HZ3 LYS 26 18.705 19.701 4.209
193 H VAL 27 H VAL 27 16.817 11.002 7.328
194 HA VAL 27 HA VAL 27 16.095 9.373 5.033
195 HB VAL 27 HB VAL 27 17.722 7.579 5.683
196 HG11 VAL 27 HG11 VAL 27 18.846 10.199 4.702
197 HG12 VAL 27 HG12 VAL 27 19.653 8.637 4.553
198 HG13 VAL 27 HG13 VAL 27 18.124 8.925 3.722
199 HG21 VAL 27 HG21 VAL 27 19.324 7.853 7.263
200 HG22 VAL 27 HG22 VAL 27 19.475 9.586 6.969
201 HG23 VAL 27 HG23 VAL 27 18.134 8.968 7.934
202 H CYS 28 H CYS 28 15.490 7.116 5.749
203 HA CYS 28 HA CYS 28 13.871 7.337 8.154
204 HB2 CYS 28 HB2 CYS 28 14.003 5.179 6.037
205 HB3 CYS 28 HB3 CYS 28 12.861 5.209 7.376
206 H VAL 29 H VAL 29 14.125 6.159 9.987
207 HA VAL 29 HA VAL 29 16.109 4.023 10.074
208 HB VAL 29 HB VAL 29 17.230 4.963 12.049
209 HG11 VAL 29 HG11 VAL 29 17.334 6.927 9.769
210 HG12 VAL 29 HG12 VAL 29 18.625 6.510 10.898
211 HG13 VAL 29 HG13 VAL 29 18.072 5.327 9.712
212 HG21 VAL 29 HG21 VAL 29 15.388 7.277 11.526
213 HG22 VAL 29 HG22 VAL 29 15.642 6.388 13.028
214 HG23 VAL 29 HG23 VAL 29 16.896 7.469 12.421
215 H LYS 30 H LYS 30 16.141 2.997 12.306
216 HA LYS 30 HA LYS 30 13.492 2.266 13.008
217 HB2 LYS 30 HB2 LYS 30 15.511 0.789 13.195
218 HB3 LYS 30 HB3 LYS 30 16.020 1.744 14.581
219 HG2 LYS 30 HG2 LYS 30 14.631 0.680 15.955
220 HG3 LYS 30 HG3 LYS 30 13.283 0.795 14.820
221 HD2 LYS 30 HD2 LYS 30 14.222 -1.108 13.560
222 HD3 LYS 30 HD3 LYS 30 15.511 -1.241 14.758
223 HE2 LYS 30 HE2 LYS 30 14.144 -2.687 15.785
224 HE3 LYS 30 HE3 LYS 30 13.275 -1.252 16.326
225 HZ1 LYS 30 HZ1 LYS 30 12.519 -2.172 13.700
226 HZ2 LYS 30 HZ2 LYS 30 11.549 -1.710 15.006
227 HZ3 LYS 30 HZ3 LYS 30 12.180 -3.278 14.935
228 H GLY 31 H GLY 31 12.155 3.005 14.552
229 HA2 GLY 31 HA2 GLY 31 13.198 4.612 16.748
230 HA3 GLY 31 HA3 GLY 31 12.114 5.434 15.635
Start of MODEL 8
1 H1 GLY 1 H GLY 1 0.759 -0.266 -0.919
2 HA2 GLY 1 HA2 GLY 1 1.500 2.069 -0.519
3 HA3 GLY 1 HA3 GLY 1 2.051 0.995 0.758
4 H TYR 2 H TYR 2 4.215 -0.121 0.210
5 HA TYR 2 HA TYR 2 6.467 0.167 0.031
6 HB2 TYR 2 HB2 TYR 2 6.007 -0.141 -2.328
7 HB3 TYR 2 HB3 TYR 2 5.582 1.558 -2.505
8 HD1 TYR 2 HD1 TYR 2 7.175 2.958 -3.406
9 HD2 TYR 2 HD2 TYR 2 8.458 -0.522 -1.321
10 HE1 TYR 2 HE1 TYR 2 9.509 3.488 -3.971
11 HE2 TYR 2 HE2 TYR 2 10.796 -0.001 -1.879
12 HH TYR 2 HH TYR 2 11.687 3.010 -3.437
13 H CYS 3 H CYS 3 6.740 1.486 1.848
14 HA CYS 3 HA CYS 3 6.799 4.382 1.393
15 HB2 CYS 3 HB2 CYS 3 7.336 3.255 4.089
16 HB3 CYS 3 HB3 CYS 3 6.406 4.677 3.628
17 H ALA 4 H ALA 4 8.605 5.324 3.085
18 HA ALA 4 HA ALA 4 11.108 4.527 1.872
19 HB1 ALA 4 HB1 ALA 4 11.997 6.453 3.283
20 HB2 ALA 4 HB2 ALA 4 10.835 6.853 2.018
21 HB3 ALA 4 HB3 ALA 4 10.314 6.773 3.701
22 H THR 5 H THR 5 12.054 2.762 2.685
23 HA THR 5 HA THR 5 11.845 2.086 5.488
24 HB THR 5 HB THR 5 13.505 0.222 4.721
25 HG1 THR 5 HG1 THR 5 13.762 0.001 2.589
26 HG21 THR 5 HG21 THR 5 11.195 -0.512 3.269
27 HG22 THR 5 HG22 THR 5 10.661 0.514 4.601
28 HG23 THR 5 HG23 THR 5 11.613 -0.934 4.929
29 H LYS 6 H LYS 6 13.937 1.338 6.596
30 HA LYS 6 HA LYS 6 15.526 3.481 7.215
31 HB2 LYS 6 HB2 LYS 6 15.473 1.471 8.578
32 HB3 LYS 6 HB3 LYS 6 16.255 0.549 7.301
33 HG2 LYS 6 HG2 LYS 6 18.312 1.553 7.656
34 HG3 LYS 6 HG3 LYS 6 17.602 2.941 8.485
35 HD2 LYS 6 HD2 LYS 6 18.133 1.916 10.394
36 HD3 LYS 6 HD3 LYS 6 16.838 0.772 10.031
37 HE2 LYS 6 HE2 LYS 6 18.323 -0.795 9.127
38 HE3 LYS 6 HE3 LYS 6 19.605 0.400 8.931
39 HZ1 LYS 6 HZ1 LYS 6 19.369 0.514 11.528
40 HZ2 LYS 6 HZ2 LYS 6 20.327 -0.668 10.788
41 HZ3 LYS 6 HZ3 LYS 6 18.772 -1.056 11.329
42 H GLY 7 H GLY 7 17.321 4.441 6.420
43 HA2 GLY 7 HA2 GLY 7 19.286 4.627 5.150
44 HA3 GLY 7 HA3 GLY 7 18.876 3.123 4.337
45 H ILE 8 H ILE 8 16.068 4.437 4.041
46 HA ILE 8 HA ILE 8 16.663 5.595 1.440
47 HB ILE 8 HB ILE 8 13.952 5.099 2.668
48 HG12 ILE 8 HG12 ILE 8 15.302 3.020 2.535
49 HG13 ILE 8 HG13 ILE 8 13.909 2.994 1.459
50 HG21 ILE 8 HG21 ILE 8 13.568 6.504 0.887
51 HG22 ILE 8 HG22 ILE 8 14.931 5.877 -0.039
52 HG23 ILE 8 HG23 ILE 8 13.453 4.926 0.110
53 HD11 ILE 8 HD11 ILE 8 15.227 2.577 -0.261
54 HD12 ILE 8 HD12 ILE 8 16.143 4.052 0.048
55 HD13 ILE 8 HD13 ILE 8 16.612 2.542 0.829
56 H LYS 9 H LYS 9 16.890 7.705 1.171
57 HA LYS 9 HA LYS 9 16.602 9.642 3.121
58 HB2 LYS 9 HB2 LYS 9 16.307 10.083 0.145
59 HB3 LYS 9 HB3 LYS 9 16.773 11.285 1.342
60 HG2 LYS 9 HG2 LYS 9 18.517 8.990 1.444
61 HG3 LYS 9 HG3 LYS 9 18.460 9.685 -0.178
62 HD2 LYS 9 HD2 LYS 9 18.709 11.585 2.078
63 HD3 LYS 9 HD3 LYS 9 20.113 10.571 1.735
64 HE2 LYS 9 HE2 LYS 9 19.208 11.483 -0.753
65 HE3 LYS 9 HE3 LYS 9 19.126 12.878 0.321
66 HZ1 LYS 9 HZ1 LYS 9 21.301 13.100 0.086
67 HZ2 LYS 9 HZ2 LYS 9 21.395 11.697 -0.855
68 HZ3 LYS 9 HZ3 LYS 9 21.539 11.598 0.828
69 H CYS 10 H CYS 10 15.002 10.989 3.795
70 HA CYS 10 HA CYS 10 12.338 10.593 2.596
71 HB2 CYS 10 HB2 CYS 10 11.411 11.023 4.875
72 HB3 CYS 10 HB3 CYS 10 12.364 9.546 4.767
73 H ASN 11 H ASN 11 13.577 12.497 1.380
74 HA ASN 11 HA ASN 11 13.427 15.042 2.718
75 HB2 ASN 11 HB2 ASN 11 14.113 14.167 -0.076
76 HB3 ASN 11 HB3 ASN 11 13.877 15.871 0.302
77 HD21 ASN 11 HD21 ASN 11 15.344 16.925 1.625
78 HD22 ASN 11 HD22 ASN 11 16.897 16.262 1.992
79 H ASP 12 H ASP 12 11.365 13.102 0.729
80 HA ASP 12 HA ASP 12 9.215 15.024 1.075
81 HB2 ASP 12 HB2 ASP 12 10.490 15.410 -1.174
82 HB3 ASP 12 HB3 ASP 12 9.635 13.962 -1.699
83 H ILE 13 H ILE 13 10.077 12.183 1.783
84 HA ILE 13 HA ILE 13 7.474 10.966 1.209
85 HB ILE 13 HB ILE 13 9.140 10.056 -0.412
86 HG12 ILE 13 HG12 ILE 13 8.569 7.716 1.282
87 HG13 ILE 13 HG13 ILE 13 7.182 8.758 0.983
88 HG21 ILE 13 HG21 ILE 13 10.428 8.864 2.039
89 HG22 ILE 13 HG22 ILE 13 10.899 8.589 0.363
90 HG23 ILE 13 HG23 ILE 13 11.096 10.187 1.084
91 HD11 ILE 13 HD11 ILE 13 8.136 8.556 -1.510
92 HD12 ILE 13 HD12 ILE 13 8.671 7.008 -0.854
93 HD13 ILE 13 HD13 ILE 13 6.961 7.437 -0.820
94 H HIS 14 H HIS 14 6.666 9.679 2.827
95 HA HIS 14 HA HIS 14 8.082 9.834 5.378
96 HB2 HIS 14 HB2 HIS 14 5.922 9.208 6.380
97 HB3 HIS 14 HB3 HIS 14 5.768 10.623 5.343
98 HD1 HIS 14 HD1 HIS 14 3.985 10.523 3.614
99 HD2 HIS 14 HD2 HIS 14 4.981 6.755 5.054
100 HE1 HIS 14 HE1 HIS 14 2.334 8.944 2.563
101 H CYS 15 H CYS 15 8.124 7.967 6.807
102 HA CYS 15 HA CYS 15 8.756 5.546 5.319
103 HB2 CYS 15 HB2 CYS 15 9.039 5.750 8.289
104 HB3 CYS 15 HB3 CYS 15 10.050 4.898 7.126
105 H CYS 16 H CYS 16 7.979 3.457 5.990
106 HA CYS 16 HA CYS 16 5.189 3.356 6.315
107 HB2 CYS 16 HB2 CYS 16 7.401 1.385 6.211
108 HB3 CYS 16 HB3 CYS 16 5.909 0.843 6.975
109 H SER 17 H SER 17 3.933 2.508 8.049
110 HA SER 17 HA SER 17 4.378 3.635 10.523
111 HB2 SER 17 HB2 SER 17 2.860 1.056 10.347
112 HB3 SER 17 HB3 SER 17 2.473 2.520 11.252
113 HG SER 17 HG SER 17 1.276 1.979 9.184
114 H GLY 18 H GLY 18 6.219 3.324 11.635
115 HA2 GLY 18 HA2 GLY 18 6.865 1.569 13.414
116 HA3 GLY 18 HA3 GLY 18 7.182 0.568 12.005
117 H LEU 19 H LEU 19 7.998 3.366 10.787
118 HA LEU 19 HA LEU 19 10.741 3.292 11.862
119 HB2 LEU 19 HB2 LEU 19 9.775 3.755 9.050
120 HB3 LEU 19 HB3 LEU 19 11.422 4.098 9.576
121 HG LEU 19 HG LEU 19 10.145 1.368 9.692
122 HD11 LEU 19 HD11 LEU 19 12.050 2.480 7.638
123 HD12 LEU 19 HD12 LEU 19 10.336 2.161 7.377
124 HD13 LEU 19 HD13 LEU 19 11.439 0.827 7.716
125 HD21 LEU 19 HD21 LEU 19 13.060 2.100 9.804
126 HD22 LEU 19 HD22 LEU 19 12.304 0.553 10.184
127 HD23 LEU 19 HD23 LEU 19 12.061 1.939 11.249
128 H LYS 20 H LYS 20 11.950 5.325 11.659
129 HA LYS 20 HA LYS 20 10.177 7.672 11.850
130 HB2 LYS 20 HB2 LYS 20 12.532 6.847 13.514
131 HB3 LYS 20 HB3 LYS 20 12.122 8.550 13.355
132 HG2 LYS 20 HG2 LYS 20 9.786 7.904 14.113
133 HG3 LYS 20 HG3 LYS 20 10.483 6.347 14.564
134 HD2 LYS 20 HD2 LYS 20 11.024 7.277 16.517
135 HD3 LYS 20 HD3 LYS 20 12.227 8.224 15.640
136 HE2 LYS 20 HE2 LYS 20 9.383 9.144 15.791
137 HE3 LYS 20 HE3 LYS 20 10.487 9.437 17.134
138 HZ1 LYS 20 HZ1 LYS 20 10.242 10.879 14.750
139 HZ2 LYS 20 HZ2 LYS 20 11.776 10.168 14.760
140 HZ3 LYS 20 HZ3 LYS 20 11.298 11.164 16.041
141 H CYS 21 H CYS 21 10.648 9.384 10.607
142 HA CYS 21 HA CYS 21 12.821 9.151 8.713
143 HB2 CYS 21 HB2 CYS 21 10.797 9.935 7.771
144 HB3 CYS 21 HB3 CYS 21 10.555 11.105 9.064
145 H ASP 22 H ASP 22 14.749 9.515 9.708
146 HA ASP 22 HA ASP 22 15.267 11.412 11.695
147 HB2 ASP 22 HB2 ASP 22 16.712 9.424 10.738
148 HB3 ASP 22 HB3 ASP 22 17.394 10.689 9.720
149 H SER 23 H SER 23 14.762 13.501 11.447
150 HA SER 23 HA SER 23 14.915 14.868 8.947
151 HB2 SER 23 HB2 SER 23 14.498 15.856 11.775
152 HB3 SER 23 HB3 SER 23 14.443 16.906 10.359
153 HG SER 23 HG SER 23 12.398 15.869 11.227
154 H LYS 24 H LYS 24 17.219 14.047 11.261
155 HA LYS 24 HA LYS 24 18.939 16.338 10.844
156 HB2 LYS 24 HB2 LYS 24 19.319 13.740 12.336
157 HB3 LYS 24 HB3 LYS 24 20.559 14.982 12.224
158 HG2 LYS 24 HG2 LYS 24 17.899 15.851 13.170
159 HG3 LYS 24 HG3 LYS 24 18.834 14.816 14.252
160 HD2 LYS 24 HD2 LYS 24 20.056 16.568 14.864
161 HD3 LYS 24 HD3 LYS 24 20.591 16.777 13.195
162 HE2 LYS 24 HE2 LYS 24 19.597 18.792 13.434
163 HE3 LYS 24 HE3 LYS 24 18.147 17.875 13.027
164 HZ1 LYS 24 HZ1 LYS 24 17.297 18.309 15.011
165 HZ2 LYS 24 HZ2 LYS 24 18.595 19.350 15.313
166 HZ3 LYS 24 HZ3 LYS 24 18.673 17.735 15.810
167 H ARG 25 H ARG 25 18.893 12.907 9.946
168 HA ARG 25 HA ARG 25 21.152 13.376 8.134
169 HB2 ARG 25 HB2 ARG 25 19.887 10.802 9.090
170 HB3 ARG 25 HB3 ARG 25 21.235 10.896 7.966
171 HG2 ARG 25 HG2 ARG 25 21.424 12.183 10.656
172 HG3 ARG 25 HG3 ARG 25 21.694 10.450 10.467
173 HD2 ARG 25 HD2 ARG 25 23.106 12.221 8.569
174 HD3 ARG 25 HD3 ARG 25 23.641 12.285 10.247
175 HE ARG 25 HE ARG 25 23.405 9.606 9.288
176 HH11 ARG 25 HH11 ARG 25 25.461 12.415 9.311
177 HH12 ARG 25 HH12 ARG 25 26.919 11.511 9.067
178 HH21 ARG 25 HH21 ARG 25 25.317 8.405 8.967
179 HH22 ARG 25 HH22 ARG 25 26.836 9.230 8.870
180 H LYS 26 H LYS 26 17.953 13.682 7.984
181 HA LYS 26 HA LYS 26 16.354 13.567 6.364
182 HB2 LYS 26 HB2 LYS 26 18.778 13.698 4.560
183 HB3 LYS 26 HB3 LYS 26 17.123 14.044 4.076
184 HG2 LYS 26 HG2 LYS 26 17.387 16.154 4.677
185 HG3 LYS 26 HG3 LYS 26 17.718 15.649 6.335
186 HD2 LYS 26 HD2 LYS 26 20.100 15.244 5.613
187 HD3 LYS 26 HD3 LYS 26 19.691 16.042 4.093
188 HE2 LYS 26 HE2 LYS 26 19.009 17.448 6.616
189 HE3 LYS 26 HE3 LYS 26 20.711 17.358 6.167
190 HZ1 LYS 26 HZ1 LYS 26 19.323 18.072 3.879
191 HZ2 LYS 26 HZ2 LYS 26 20.353 19.045 4.801
192 HZ3 LYS 26 HZ3 LYS 26 18.692 19.031 5.121
193 H VAL 27 H VAL 27 17.040 11.076 7.398
194 HA VAL 27 HA VAL 27 16.283 9.376 5.165
195 HB VAL 27 HB VAL 27 17.983 7.648 5.786
196 HG11 VAL 27 HG11 VAL 27 19.866 8.779 4.612
197 HG12 VAL 27 HG12 VAL 27 18.311 8.943 3.794
198 HG13 VAL 27 HG13 VAL 27 18.967 10.292 4.723
199 HG21 VAL 27 HG21 VAL 27 19.577 9.822 7.076
200 HG22 VAL 27 HG22 VAL 27 18.422 8.894 8.032
201 HG23 VAL 27 HG23 VAL 27 19.751 8.072 7.213
202 H CYS 28 H CYS 28 15.293 7.421 5.795
203 HA CYS 28 HA CYS 28 13.957 7.559 8.325
204 HB2 CYS 28 HB2 CYS 28 13.926 5.466 6.143
205 HB3 CYS 28 HB3 CYS 28 12.901 5.414 7.574
206 H VAL 29 H VAL 29 13.951 5.898 9.944
207 HA VAL 29 HA VAL 29 16.162 4.010 9.960
208 HB VAL 29 HB VAL 29 16.857 4.778 12.266
209 HG11 VAL 29 HG11 VAL 29 17.478 6.994 10.393
210 HG12 VAL 29 HG12 VAL 29 18.557 6.011 11.385
211 HG13 VAL 29 HG13 VAL 29 17.891 5.356 9.888
212 HG21 VAL 29 HG21 VAL 29 16.269 6.881 13.081
213 HG22 VAL 29 HG22 VAL 29 15.661 7.425 11.518
214 HG23 VAL 29 HG23 VAL 29 14.749 6.243 12.457
215 H LYS 30 H LYS 30 16.133 2.821 12.197
216 HA LYS 30 HA LYS 30 13.779 1.395 12.408
217 HB2 LYS 30 HB2 LYS 30 16.069 0.811 13.351
218 HB3 LYS 30 HB3 LYS 30 15.665 1.836 14.721
219 HG2 LYS 30 HG2 LYS 30 13.618 0.396 15.039
220 HG3 LYS 30 HG3 LYS 30 14.323 -0.709 13.856
221 HD2 LYS 30 HD2 LYS 30 15.861 0.196 16.271
222 HD3 LYS 30 HD3 LYS 30 14.749 -1.173 16.346
223 HE2 LYS 30 HE2 LYS 30 16.847 -1.042 14.216
224 HE3 LYS 30 HE3 LYS 30 17.264 -1.586 15.841
225 HZ1 LYS 30 HZ1 LYS 30 16.475 -3.571 15.323
226 HZ2 LYS 30 HZ2 LYS 30 16.028 -3.036 13.782
227 HZ3 LYS 30 HZ3 LYS 30 14.937 -2.915 15.068
228 H GLY 31 H GLY 31 12.083 1.355 13.943
229 HA2 GLY 31 HA2 GLY 31 11.752 3.784 15.567
230 HA3 GLY 31 HA3 GLY 31 10.498 3.354 14.413
Start of MODEL 9
1 H1 GLY 1 H GLY 1 2.129 0.274 2.985
2 HA2 GLY 1 HA2 GLY 1 4.089 -1.080 2.836
3 HA3 GLY 1 HA3 GLY 1 3.208 -1.394 1.348
4 H TYR 2 H TYR 2 3.661 0.761 -0.186
5 HA TYR 2 HA TYR 2 6.466 0.447 -0.832
6 HB2 TYR 2 HB2 TYR 2 4.362 0.566 -2.438
7 HB3 TYR 2 HB3 TYR 2 4.680 2.295 -2.352
8 HD1 TYR 2 HD1 TYR 2 6.519 -0.908 -2.937
9 HD2 TYR 2 HD2 TYR 2 6.102 3.210 -3.923
10 HE1 TYR 2 HE1 TYR 2 8.260 -1.150 -4.658
11 HE2 TYR 2 HE2 TYR 2 7.840 2.979 -5.647
12 HH TYR 2 HH TYR 2 9.173 1.574 -6.742
13 H CYS 3 H CYS 3 6.511 1.670 1.497
14 HA CYS 3 HA CYS 3 6.705 4.556 1.020
15 HB2 CYS 3 HB2 CYS 3 7.206 3.424 3.721
16 HB3 CYS 3 HB3 CYS 3 6.342 4.886 3.255
17 H ALA 4 H ALA 4 8.564 5.357 2.793
18 HA ALA 4 HA ALA 4 11.023 4.437 1.545
19 HB1 ALA 4 HB1 ALA 4 10.932 6.761 1.621
20 HB2 ALA 4 HB2 ALA 4 10.307 6.780 3.270
21 HB3 ALA 4 HB3 ALA 4 11.990 6.348 2.971
22 H THR 5 H THR 5 11.952 2.693 2.399
23 HA THR 5 HA THR 5 11.670 2.053 5.206
24 HB THR 5 HB THR 5 13.292 0.137 4.493
25 HG1 THR 5 HG1 THR 5 12.255 0.758 1.930
26 HG21 THR 5 HG21 THR 5 11.364 -0.963 4.682
27 HG22 THR 5 HG22 THR 5 10.994 -0.557 3.006
28 HG23 THR 5 HG23 THR 5 10.459 0.504 4.309
29 H LYS 6 H LYS 6 13.783 1.187 6.283
30 HA LYS 6 HA LYS 6 15.385 3.287 6.992
31 HB2 LYS 6 HB2 LYS 6 15.707 0.329 7.104
32 HB3 LYS 6 HB3 LYS 6 17.125 1.315 7.435
33 HG2 LYS 6 HG2 LYS 6 15.483 2.568 9.054
34 HG3 LYS 6 HG3 LYS 6 14.601 1.040 8.982
35 HD2 LYS 6 HD2 LYS 6 16.030 0.789 10.816
36 HD3 LYS 6 HD3 LYS 6 16.856 -0.063 9.509
37 HE2 LYS 6 HE2 LYS 6 17.537 2.774 9.687
38 HE3 LYS 6 HE3 LYS 6 17.971 1.851 11.124
39 HZ1 LYS 6 HZ1 LYS 6 19.669 0.950 10.051
40 HZ2 LYS 6 HZ2 LYS 6 19.362 1.982 8.746
41 HZ3 LYS 6 HZ3 LYS 6 18.683 0.433 8.777
42 H GLY 7 H GLY 7 17.127 4.319 6.194
43 HA2 GLY 7 HA2 GLY 7 19.120 4.515 4.938
44 HA3 GLY 7 HA3 GLY 7 18.647 3.098 4.012
45 H ILE 8 H ILE 8 15.886 4.347 3.744
46 HA ILE 8 HA ILE 8 16.482 5.775 1.296
47 HB ILE 8 HB ILE 8 13.762 5.220 2.474
48 HG12 ILE 8 HG12 ILE 8 15.060 3.128 2.226
49 HG13 ILE 8 HG13 ILE 8 13.701 3.203 1.110
50 HG21 ILE 8 HG21 ILE 8 13.767 6.893 0.724
51 HG22 ILE 8 HG22 ILE 8 14.680 5.819 -0.334
52 HG23 ILE 8 HG23 ILE 8 13.030 5.405 0.130
53 HD11 ILE 8 HD11 ILE 8 15.251 3.901 -0.673
54 HD12 ILE 8 HD12 ILE 8 16.592 3.710 0.457
55 HD13 ILE 8 HD13 ILE 8 15.626 2.310 -0.010
56 H LYS 9 H LYS 9 16.364 7.913 0.986
57 HA LYS 9 HA LYS 9 16.403 9.749 3.041
58 HB2 LYS 9 HB2 LYS 9 15.550 10.152 0.170
59 HB3 LYS 9 HB3 LYS 9 15.897 11.461 1.293
60 HG2 LYS 9 HG2 LYS 9 18.005 9.423 0.991
61 HG3 LYS 9 HG3 LYS 9 17.698 10.446 -0.414
62 HD2 LYS 9 HD2 LYS 9 17.741 12.061 1.949
63 HD3 LYS 9 HD3 LYS 9 19.197 11.065 1.894
64 HE2 LYS 9 HE2 LYS 9 19.966 12.055 -0.018
65 HE3 LYS 9 HE3 LYS 9 18.347 12.436 -0.602
66 HZ1 LYS 9 HZ1 LYS 9 19.107 13.815 1.819
67 HZ2 LYS 9 HZ2 LYS 9 18.356 14.409 0.425
68 HZ3 LYS 9 HZ3 LYS 9 20.037 14.223 0.467
69 H CYS 10 H CYS 10 14.924 11.008 4.090
70 HA CYS 10 HA CYS 10 12.086 10.437 3.536
71 HB2 CYS 10 HB2 CYS 10 11.603 10.348 5.810
72 HB3 CYS 10 HB3 CYS 10 13.176 9.561 5.732
73 H ASN 11 H ASN 11 14.166 12.681 2.885
74 HA ASN 11 HA ASN 11 13.299 15.046 4.118
75 HB2 ASN 11 HB2 ASN 11 14.592 16.185 2.545
76 HB3 ASN 11 HB3 ASN 11 15.364 14.603 2.602
77 HD21 ASN 11 HD21 ASN 11 13.921 16.932 0.652
78 HD22 ASN 11 HD22 ASN 11 13.835 16.018 -0.811
79 H ASP 12 H ASP 12 12.044 13.235 1.401
80 HA ASP 12 HA ASP 12 9.849 15.190 1.178
81 HB2 ASP 12 HB2 ASP 12 11.343 15.083 -0.832
82 HB3 ASP 12 HB3 ASP 12 10.868 13.398 -1.034
83 H ILE 13 H ILE 13 10.564 11.793 0.340
84 HA ILE 13 HA ILE 13 7.830 11.007 0.651
85 HB ILE 13 HB ILE 13 9.362 9.864 -0.916
86 HG12 ILE 13 HG12 ILE 13 8.399 7.939 1.201
87 HG13 ILE 13 HG13 ILE 13 7.304 8.780 0.110
88 HG21 ILE 13 HG21 ILE 13 10.645 8.735 1.568
89 HG22 ILE 13 HG22 ILE 13 11.038 8.316 -0.098
90 HG23 ILE 13 HG23 ILE 13 11.370 9.940 0.503
91 HD11 ILE 13 HD11 ILE 13 9.203 7.664 -1.564
92 HD12 ILE 13 HD12 ILE 13 8.913 6.430 -0.338
93 HD13 ILE 13 HD13 ILE 13 7.566 7.074 -1.275
94 H HIS 14 H HIS 14 6.909 9.733 2.257
95 HA HIS 14 HA HIS 14 8.232 9.928 4.856
96 HB2 HIS 14 HB2 HIS 14 5.741 10.600 4.250
97 HB3 HIS 14 HB3 HIS 14 5.448 8.890 4.552
98 HD1 HIS 14 HD1 HIS 14 6.790 11.963 6.308
99 HD2 HIS 14 HD2 HIS 14 5.255 8.205 7.192
100 HE1 HIS 14 HE1 HIS 14 6.499 11.926 8.806
101 H CYS 15 H CYS 15 8.191 8.114 6.337
102 HA CYS 15 HA CYS 15 8.767 5.620 4.951
103 HB2 CYS 15 HB2 CYS 15 9.000 5.928 7.917
104 HB3 CYS 15 HB3 CYS 15 9.999 4.993 6.809
105 H CYS 16 H CYS 16 7.887 3.592 5.638
106 HA CYS 16 HA CYS 16 5.089 3.626 5.960
107 HB2 CYS 16 HB2 CYS 16 7.205 1.554 5.840
108 HB3 CYS 16 HB3 CYS 16 5.698 1.081 6.617
109 H SER 17 H SER 17 3.808 2.807 7.700
110 HA SER 17 HA SER 17 4.299 3.924 10.169
111 HB2 SER 17 HB2 SER 17 2.551 1.598 9.371
112 HB3 SER 17 HB3 SER 17 2.580 2.226 11.018
113 HG SER 17 HG SER 17 1.395 3.248 8.783
114 H GLY 18 H GLY 18 5.953 3.550 11.489
115 HA2 GLY 18 HA2 GLY 18 6.587 1.759 13.186
116 HA3 GLY 18 HA3 GLY 18 6.923 0.777 11.767
117 H LEU 19 H LEU 19 7.877 3.402 10.465
118 HA LEU 19 HA LEU 19 10.573 3.312 11.642
119 HB2 LEU 19 HB2 LEU 19 9.674 3.932 8.835
120 HB3 LEU 19 HB3 LEU 19 11.330 4.125 9.405
121 HG LEU 19 HG LEU 19 9.858 1.494 9.382
122 HD11 LEU 19 HD11 LEU 19 11.835 2.581 7.383
123 HD12 LEU 19 HD12 LEU 19 10.111 2.342 7.104
124 HD13 LEU 19 HD13 LEU 19 11.158 0.953 7.396
125 HD21 LEU 19 HD21 LEU 19 11.866 0.503 9.969
126 HD22 LEU 19 HD22 LEU 19 11.871 1.977 10.939
127 HD23 LEU 19 HD23 LEU 19 12.822 1.894 9.455
128 H LYS 20 H LYS 20 11.810 5.285 11.670
129 HA LYS 20 HA LYS 20 10.095 7.650 12.009
130 HB2 LYS 20 HB2 LYS 20 12.858 7.160 13.133
131 HB3 LYS 20 HB3 LYS 20 11.803 8.517 13.505
132 HG2 LYS 20 HG2 LYS 20 10.158 6.847 14.419
133 HG3 LYS 20 HG3 LYS 20 11.428 5.632 14.256
134 HD2 LYS 20 HD2 LYS 20 12.511 6.368 16.074
135 HD3 LYS 20 HD3 LYS 20 12.319 8.060 15.609
136 HE2 LYS 20 HE2 LYS 20 11.187 7.573 17.723
137 HE3 LYS 20 HE3 LYS 20 10.042 8.053 16.471
138 HZ1 LYS 20 HZ1 LYS 20 9.810 5.862 18.023
139 HZ2 LYS 20 HZ2 LYS 20 10.492 5.212 16.619
140 HZ3 LYS 20 HZ3 LYS 20 9.039 6.074 16.531
141 H CYS 21 H CYS 21 10.702 9.641 11.143
142 HA CYS 21 HA CYS 21 12.467 9.441 8.823
143 HB2 CYS 21 HB2 CYS 21 10.333 10.354 8.289
144 HB3 CYS 21 HB3 CYS 21 10.385 11.460 9.657
145 H ASP 22 H ASP 22 14.515 9.600 9.675
146 HA ASP 22 HA ASP 22 15.342 11.396 11.659
147 HB2 ASP 22 HB2 ASP 22 16.549 9.339 10.527
148 HB3 ASP 22 HB3 ASP 22 17.228 10.586 9.485
149 H SER 23 H SER 23 14.846 13.508 11.449
150 HA SER 23 HA SER 23 14.988 14.908 8.963
151 HB2 SER 23 HB2 SER 23 14.504 15.727 11.815
152 HB3 SER 23 HB3 SER 23 14.733 16.943 10.559
153 HG SER 23 HG SER 23 12.530 15.598 11.143
154 H LYS 24 H LYS 24 17.296 13.989 11.240
155 HA LYS 24 HA LYS 24 19.083 16.227 10.805
156 HB2 LYS 24 HB2 LYS 24 19.584 13.600 12.215
157 HB3 LYS 24 HB3 LYS 24 20.625 15.016 12.264
158 HG2 LYS 24 HG2 LYS 24 17.958 15.719 13.060
159 HG3 LYS 24 HG3 LYS 24 18.551 14.359 14.016
160 HD2 LYS 24 HD2 LYS 24 20.119 15.609 15.053
161 HD3 LYS 24 HD3 LYS 24 20.478 16.547 13.602
162 HE2 LYS 24 HE2 LYS 24 17.835 17.171 14.459
163 HE3 LYS 24 HE3 LYS 24 18.915 17.292 15.847
164 HZ1 LYS 24 HZ1 LYS 24 20.264 18.849 14.711
165 HZ2 LYS 24 HZ2 LYS 24 18.667 19.368 14.510
166 HZ3 LYS 24 HZ3 LYS 24 19.469 18.591 13.240
167 H ARG 25 H ARG 25 18.880 12.812 9.889
168 HA ARG 25 HA ARG 25 21.166 13.175 8.088
169 HB2 ARG 25 HB2 ARG 25 19.760 10.585 8.733
170 HB3 ARG 25 HB3 ARG 25 21.348 10.798 8.009
171 HG2 ARG 25 HG2 ARG 25 22.001 11.931 10.203
172 HG3 ARG 25 HG3 ARG 25 20.516 11.232 10.853
173 HD2 ARG 25 HD2 ARG 25 21.318 8.998 10.106
174 HD3 ARG 25 HD3 ARG 25 22.842 9.750 9.636
175 HE ARG 25 HE ARG 25 22.473 10.453 12.261
176 HH11 ARG 25 HH11 ARG 25 22.690 7.469 10.480
177 HH12 ARG 25 HH12 ARG 25 23.368 6.578 11.802
178 HH21 ARG 25 HH21 ARG 25 23.365 9.290 14.009
179 HH22 ARG 25 HH22 ARG 25 23.751 7.615 13.809
180 H LYS 26 H LYS 26 17.964 13.612 7.951
181 HA LYS 26 HA LYS 26 16.369 13.605 6.324
182 HB2 LYS 26 HB2 LYS 26 18.864 13.771 4.628
183 HB3 LYS 26 HB3 LYS 26 17.238 13.995 3.996
184 HG2 LYS 26 HG2 LYS 26 16.939 15.884 5.570
185 HG3 LYS 26 HG3 LYS 26 18.624 15.695 6.058
186 HD2 LYS 26 HD2 LYS 26 19.191 15.954 3.583
187 HD3 LYS 26 HD3 LYS 26 17.530 16.518 3.381
188 HE2 LYS 26 HE2 LYS 26 18.955 17.796 5.592
189 HE3 LYS 26 HE3 LYS 26 19.685 18.089 4.015
190 HZ1 LYS 26 HZ1 LYS 26 17.099 18.494 3.482
191 HZ2 LYS 26 HZ2 LYS 26 18.173 19.723 3.921
192 HZ3 LYS 26 HZ3 LYS 26 17.165 19.026 5.086
193 H VAL 27 H VAL 27 16.898 11.075 7.298
194 HA VAL 27 HA VAL 27 16.120 9.458 5.013
195 HB VAL 27 HB VAL 27 17.726 7.634 5.675
196 HG11 VAL 27 HG11 VAL 27 18.857 10.212 4.595
197 HG12 VAL 27 HG12 VAL 27 19.638 8.635 4.466
198 HG13 VAL 27 HG13 VAL 27 18.091 8.922 3.668
199 HG21 VAL 27 HG21 VAL 27 19.536 9.651 6.859
200 HG22 VAL 27 HG22 VAL 27 18.215 9.076 7.877
201 HG23 VAL 27 HG23 VAL 27 19.375 7.929 7.204
202 H CYS 28 H CYS 28 15.406 7.258 5.702
203 HA CYS 28 HA CYS 28 13.837 7.492 8.126
204 HB2 CYS 28 HB2 CYS 28 13.939 5.327 6.016
205 HB3 CYS 28 HB3 CYS 28 12.809 5.362 7.365
206 H VAL 29 H VAL 29 14.042 6.277 9.953
207 HA VAL 29 HA VAL 29 16.278 4.362 10.056
208 HB VAL 29 HB VAL 29 16.629 5.138 12.445
209 HG11 VAL 29 HG11 VAL 29 17.892 5.826 10.225
210 HG12 VAL 29 HG12 VAL 29 17.257 7.418 10.646
211 HG13 VAL 29 HG13 VAL 29 18.293 6.552 11.781
212 HG21 VAL 29 HG21 VAL 29 15.384 6.757 13.326
213 HG22 VAL 29 HG22 VAL 29 15.704 7.823 11.958
214 HG23 VAL 29 HG23 VAL 29 14.365 6.677 11.888
215 H LYS 30 H LYS 30 16.144 2.986 12.097
216 HA LYS 30 HA LYS 30 13.739 1.546 12.086
217 HB2 LYS 30 HB2 LYS 30 16.151 0.885 12.868
218 HB3 LYS 30 HB3 LYS 30 15.596 1.457 14.436
219 HG2 LYS 30 HG2 LYS 30 13.679 -0.327 13.203
220 HG3 LYS 30 HG3 LYS 30 15.266 -1.079 13.388
221 HD2 LYS 30 HD2 LYS 30 15.228 -0.258 15.782
222 HD3 LYS 30 HD3 LYS 30 13.528 0.140 15.523
223 HE2 LYS 30 HE2 LYS 30 13.144 -1.956 16.219
224 HE3 LYS 30 HE3 LYS 30 13.644 -2.418 14.593
225 HZ1 LYS 30 HZ1 LYS 30 14.885 -3.735 16.074
226 HZ2 LYS 30 HZ2 LYS 30 15.278 -2.421 17.063
227 HZ3 LYS 30 HZ3 LYS 30 15.960 -2.552 15.521
228 H GLY 31 H GLY 31 12.048 1.387 13.563
229 HA2 GLY 31 HA2 GLY 31 11.949 3.207 15.826
230 HA3 GLY 31 HA3 GLY 31 10.812 3.555 14.531
Start of MODEL 10
1 H1 GLY 1 H GLY 1 3.549 -1.671 2.236
2 HA2 GLY 1 HA2 GLY 1 2.208 -0.114 1.182
3 HA3 GLY 1 HA3 GLY 1 2.784 0.923 2.479
4 H TYR 2 H TYR 2 5.021 -0.327 0.141
5 HA TYR 2 HA TYR 2 6.407 0.730 -1.326
6 HB2 TYR 2 HB2 TYR 2 4.181 0.715 -2.546
7 HB3 TYR 2 HB3 TYR 2 3.989 2.390 -2.041
8 HD1 TYR 2 HD1 TYR 2 4.656 4.030 -3.517
9 HD2 TYR 2 HD2 TYR 2 6.531 0.216 -3.714
10 HE1 TYR 2 HE1 TYR 2 5.948 4.773 -5.473
11 HE2 TYR 2 HE2 TYR 2 7.830 0.949 -5.670
12 HH TYR 2 HH TYR 2 7.821 2.576 -7.380
13 H CYS 3 H CYS 3 6.444 1.781 1.295
14 HA CYS 3 HA CYS 3 6.689 4.676 0.908
15 HB2 CYS 3 HB2 CYS 3 7.175 3.451 3.571
16 HB3 CYS 3 HB3 CYS 3 6.337 4.943 3.153
17 H ALA 4 H ALA 4 8.564 5.361 2.737
18 HA ALA 4 HA ALA 4 11.006 4.422 1.455
19 HB1 ALA 4 HB1 ALA 4 12.011 6.305 2.893
20 HB2 ALA 4 HB2 ALA 4 10.967 6.746 1.542
21 HB3 ALA 4 HB3 ALA 4 10.336 6.771 3.189
22 H THR 5 H THR 5 11.939 2.680 2.303
23 HA THR 5 HA THR 5 11.615 2.004 5.096
24 HB THR 5 HB THR 5 13.238 0.092 4.387
25 HG1 THR 5 HG1 THR 5 13.590 1.365 2.301
26 HG21 THR 5 HG21 THR 5 10.413 0.472 4.154
27 HG22 THR 5 HG22 THR 5 11.306 -1.008 4.509
28 HG23 THR 5 HG23 THR 5 10.966 -0.561 2.837
29 H LYS 6 H LYS 6 13.703 1.129 6.201
30 HA LYS 6 HA LYS 6 15.300 3.215 6.958
31 HB2 LYS 6 HB2 LYS 6 15.120 0.901 8.002
32 HB3 LYS 6 HB3 LYS 6 16.313 0.377 6.821
33 HG2 LYS 6 HG2 LYS 6 17.491 2.601 7.899
34 HG3 LYS 6 HG3 LYS 6 16.654 1.895 9.284
35 HD2 LYS 6 HD2 LYS 6 17.718 -0.291 8.720
36 HD3 LYS 6 HD3 LYS 6 18.658 0.544 7.480
37 HE2 LYS 6 HE2 LYS 6 20.055 1.454 8.984
38 HE3 LYS 6 HE3 LYS 6 18.756 1.804 10.123
39 HZ1 LYS 6 HZ1 LYS 6 20.631 -0.267 10.224
40 HZ2 LYS 6 HZ2 LYS 6 19.108 -0.970 10.010
41 HZ3 LYS 6 HZ3 LYS 6 19.384 0.068 11.317
42 H GLY 7 H GLY 7 17.080 4.236 6.220
43 HA2 GLY 7 HA2 GLY 7 19.082 4.451 4.992
44 HA3 GLY 7 HA3 GLY 7 18.626 3.044 4.043
45 H ILE 8 H ILE 8 15.871 4.293 3.735
46 HA ILE 8 HA ILE 8 16.512 5.749 1.315
47 HB ILE 8 HB ILE 8 13.769 5.180 2.434
48 HG12 ILE 8 HG12 ILE 8 15.074 3.091 2.194
49 HG13 ILE 8 HG13 ILE 8 13.737 3.174 1.051
50 HG21 ILE 8 HG21 ILE 8 13.687 6.830 0.726
51 HG22 ILE 8 HG22 ILE 8 14.789 5.914 -0.300
52 HG23 ILE 8 HG23 ILE 8 13.160 5.312 0.001
53 HD11 ILE 8 HD11 ILE 8 16.478 2.746 0.530
54 HD12 ILE 8 HD12 ILE 8 15.141 2.835 -0.617
55 HD13 ILE 8 HD13 ILE 8 16.031 4.295 -0.184
56 H LYS 9 H LYS 9 16.378 7.889 1.017
57 HA LYS 9 HA LYS 9 16.387 9.707 3.090
58 HB2 LYS 9 HB2 LYS 9 15.484 10.207 0.247
59 HB3 LYS 9 HB3 LYS 9 15.995 11.440 1.393
60 HG2 LYS 9 HG2 LYS 9 17.983 9.356 1.082
61 HG3 LYS 9 HG3 LYS 9 17.588 10.141 -0.449
62 HD2 LYS 9 HD2 LYS 9 18.052 12.319 0.520
63 HD3 LYS 9 HD3 LYS 9 18.366 11.576 2.090
64 HE2 LYS 9 HE2 LYS 9 20.093 10.175 0.615
65 HE3 LYS 9 HE3 LYS 9 20.037 11.645 -0.357
66 HZ1 LYS 9 HZ1 LYS 9 21.794 11.635 1.369
67 HZ2 LYS 9 HZ2 LYS 9 20.591 11.610 2.558
68 HZ3 LYS 9 HZ3 LYS 9 20.718 12.933 1.511
69 H CYS 10 H CYS 10 14.891 10.964 4.123
70 HA CYS 10 HA CYS 10 12.062 10.376 3.542
71 HB2 CYS 10 HB2 CYS 10 11.559 10.268 5.810
72 HB3 CYS 10 HB3 CYS 10 13.141 9.499 5.746
73 H ASN 11 H ASN 11 14.146 12.637 2.937
74 HA ASN 11 HA ASN 11 13.205 14.986 4.169
75 HB2 ASN 11 HB2 ASN 11 14.358 16.175 2.352
76 HB3 ASN 11 HB3 ASN 11 15.361 14.883 3.006
77 HD21 ASN 11 HD21 ASN 11 14.929 16.331 0.296
78 HD22 ASN 11 HD22 ASN 11 14.960 15.028 -0.838
79 H ASP 12 H ASP 12 12.134 13.204 1.350
80 HA ASP 12 HA ASP 12 9.955 15.159 0.999
81 HB2 ASP 12 HB2 ASP 12 9.863 13.981 -1.356
82 HB3 ASP 12 HB3 ASP 12 11.024 15.269 -1.043
83 H ILE 13 H ILE 13 10.628 11.734 0.248
84 HA ILE 13 HA ILE 13 7.866 11.018 0.518
85 HB ILE 13 HB ILE 13 9.366 9.833 -1.038
86 HG12 ILE 13 HG12 ILE 13 8.499 7.824 1.017
87 HG13 ILE 13 HG13 ILE 13 7.299 8.802 0.179
88 HG21 ILE 13 HG21 ILE 13 10.650 8.718 1.452
89 HG22 ILE 13 HG22 ILE 13 11.014 8.250 -0.208
90 HG23 ILE 13 HG23 ILE 13 11.386 9.881 0.350
91 HD11 ILE 13 HD11 ILE 13 7.320 7.084 -1.262
92 HD12 ILE 13 HD12 ILE 13 8.732 7.914 -1.915
93 HD13 ILE 13 HD13 ILE 13 8.940 6.568 -0.794
94 H HIS 14 H HIS 14 6.916 9.717 2.102
95 HA HIS 14 HA HIS 14 8.195 9.917 4.722
96 HB2 HIS 14 HB2 HIS 14 5.712 10.579 4.073
97 HB3 HIS 14 HB3 HIS 14 5.420 8.869 4.373
98 HD1 HIS 14 HD1 HIS 14 4.161 9.037 6.541
99 HD2 HIS 14 HD2 HIS 14 7.759 11.113 6.614
100 HE1 HIS 14 HE1 HIS 14 4.481 9.744 8.933
101 H CYS 15 H CYS 15 8.151 8.107 6.200
102 HA CYS 15 HA CYS 15 8.746 5.610 4.825
103 HB2 CYS 15 HB2 CYS 15 8.954 5.936 7.792
104 HB3 CYS 15 HB3 CYS 15 9.957 4.987 6.701
105 H CYS 16 H CYS 16 7.857 3.585 5.492
106 HA CYS 16 HA CYS 16 5.054 3.632 5.825
107 HB2 CYS 16 HB2 CYS 16 7.155 1.551 5.629
108 HB3 CYS 16 HB3 CYS 16 5.653 1.067 6.410
109 H SER 17 H SER 17 3.801 2.707 7.556
110 HA SER 17 HA SER 17 4.284 3.785 10.044
111 HB2 SER 17 HB2 SER 17 2.160 2.593 8.995
112 HB3 SER 17 HB3 SER 17 2.769 1.214 9.909
113 HG SER 17 HG SER 17 1.856 3.705 10.842
114 H GLY 18 H GLY 18 5.738 3.371 11.563
115 HA2 GLY 18 HA2 GLY 18 6.519 1.611 13.139
116 HA3 GLY 18 HA3 GLY 18 6.849 0.635 11.714
117 H LEU 19 H LEU 19 7.768 3.251 10.391
118 HA LEU 19 HA LEU 19 10.480 3.182 11.529
119 HB2 LEU 19 HB2 LEU 19 9.519 3.835 8.750
120 HB3 LEU 19 HB3 LEU 19 11.184 4.042 9.290
121 HG LEU 19 HG LEU 19 9.733 1.398 9.227
122 HD11 LEU 19 HD11 LEU 19 11.023 0.902 7.239
123 HD12 LEU 19 HD12 LEU 19 11.752 2.506 7.281
124 HD13 LEU 19 HD13 LEU 19 10.024 2.331 6.971
125 HD21 LEU 19 HD21 LEU 19 11.837 0.413 9.677
126 HD22 LEU 19 HD22 LEU 19 11.637 1.714 10.852
127 HD23 LEU 19 HD23 LEU 19 12.684 1.944 9.450
128 H LYS 20 H LYS 20 11.704 5.165 11.559
129 HA LYS 20 HA LYS 20 9.978 7.518 11.943
130 HB2 LYS 20 HB2 LYS 20 12.494 6.589 13.272
131 HB3 LYS 20 HB3 LYS 20 12.131 8.309 13.228
132 HG2 LYS 20 HG2 LYS 20 9.864 7.680 14.216
133 HG3 LYS 20 HG3 LYS 20 10.589 6.106 14.553
134 HD2 LYS 20 HD2 LYS 20 11.668 6.907 16.329
135 HD3 LYS 20 HD3 LYS 20 12.333 8.247 15.392
136 HE2 LYS 20 HE2 LYS 20 10.569 9.653 15.913
137 HE3 LYS 20 HE3 LYS 20 9.480 8.317 16.283
138 HZ1 LYS 20 HZ1 LYS 20 11.829 8.578 17.980
139 HZ2 LYS 20 HZ2 LYS 20 10.241 8.159 18.385
140 HZ3 LYS 20 HZ3 LYS 20 10.652 9.782 18.147
141 H CYS 21 H CYS 21 10.588 9.519 11.107
142 HA CYS 21 HA CYS 21 12.379 9.354 8.803
143 HB2 CYS 21 HB2 CYS 21 10.245 10.266 8.262
144 HB3 CYS 21 HB3 CYS 21 10.287 11.361 9.641
145 H ASP 22 H ASP 22 14.415 9.499 9.696
146 HA ASP 22 HA ASP 22 15.213 11.280 11.705
147 HB2 ASP 22 HB2 ASP 22 16.434 9.232 10.556
148 HB3 ASP 22 HB3 ASP 22 17.140 10.501 9.560
149 H SER 23 H SER 23 14.722 13.393 11.508
150 HA SER 23 HA SER 23 14.898 14.815 9.035
151 HB2 SER 23 HB2 SER 23 14.508 16.832 10.514
152 HB3 SER 23 HB3 SER 23 13.277 15.573 10.625
153 HG SER 23 HG SER 23 14.651 16.607 12.592
154 H LYS 24 H LYS 24 17.175 13.874 11.335
155 HA LYS 24 HA LYS 24 18.969 16.115 10.944
156 HB2 LYS 24 HB2 LYS 24 19.260 13.499 12.424
157 HB3 LYS 24 HB3 LYS 24 20.539 14.702 12.324
158 HG2 LYS 24 HG2 LYS 24 18.648 16.292 13.240
159 HG3 LYS 24 HG3 LYS 24 17.981 14.768 13.831
160 HD2 LYS 24 HD2 LYS 24 19.449 14.725 15.502
161 HD3 LYS 24 HD3 LYS 24 20.796 14.866 14.370
162 HE2 LYS 24 HE2 LYS 24 21.001 17.099 14.686
163 HE3 LYS 24 HE3 LYS 24 19.267 17.337 14.897
164 HZ1 LYS 24 HZ1 LYS 24 21.247 17.149 16.870
165 HZ2 LYS 24 HZ2 LYS 24 20.205 15.830 17.056
166 HZ3 LYS 24 HZ3 LYS 24 19.587 17.405 17.072
167 H ARG 25 H ARG 25 18.776 12.708 9.994
168 HA ARG 25 HA ARG 25 21.086 13.088 8.225
169 HB2 ARG 25 HB2 ARG 25 19.658 10.550 9.040
170 HB3 ARG 25 HB3 ARG 25 21.092 10.635 8.026
171 HG2 ARG 25 HG2 ARG 25 22.175 11.839 10.025
172 HG3 ARG 25 HG3 ARG 25 20.823 11.186 10.953
173 HD2 ARG 25 HD2 ARG 25 21.741 9.158 11.011
174 HD3 ARG 25 HD3 ARG 25 22.015 9.165 9.270
175 HE ARG 25 HE ARG 25 24.201 9.665 9.676
176 HH11 ARG 25 HH11 ARG 25 22.326 10.524 12.481
177 HH12 ARG 25 HH12 ARG 25 23.709 10.945 13.437
178 HH21 ARG 25 HH21 ARG 25 26.028 10.216 10.924
179 HH22 ARG 25 HH22 ARG 25 25.814 10.770 12.550
180 H LYS 26 H LYS 26 17.885 13.526 8.052
181 HA LYS 26 HA LYS 26 16.311 13.532 6.405
182 HB2 LYS 26 HB2 LYS 26 18.738 13.601 4.603
183 HB3 LYS 26 HB3 LYS 26 17.108 14.097 4.168
184 HG2 LYS 26 HG2 LYS 26 18.819 15.399 6.277
185 HG3 LYS 26 HG3 LYS 26 18.571 16.003 4.637
186 HD2 LYS 26 HD2 LYS 26 16.118 16.090 5.131
187 HD3 LYS 26 HD3 LYS 26 16.501 15.692 6.808
188 HE2 LYS 26 HE2 LYS 26 16.239 18.076 6.603
189 HE3 LYS 26 HE3 LYS 26 17.935 17.707 6.912
190 HZ1 LYS 26 HZ1 LYS 26 16.883 19.188 4.819
191 HZ2 LYS 26 HZ2 LYS 26 17.453 17.752 4.131
192 HZ3 LYS 26 HZ3 LYS 26 18.495 18.725 5.043
193 H VAL 27 H VAL 27 16.830 10.994 7.364
194 HA VAL 27 HA VAL 27 16.080 9.397 5.055
195 HB VAL 27 HB VAL 27 17.678 7.566 5.729
196 HG11 VAL 27 HG11 VAL 27 18.818 10.149 4.668
197 HG12 VAL 27 HG12 VAL 27 19.601 8.572 4.540
198 HG13 VAL 27 HG13 VAL 27 18.061 8.862 3.729
199 HG21 VAL 27 HG21 VAL 27 19.314 7.858 7.271
200 HG22 VAL 27 HG22 VAL 27 19.475 9.582 6.938
201 HG23 VAL 27 HG23 VAL 27 18.146 8.999 7.939
202 H CYS 28 H CYS 28 15.361 7.189 5.717
203 HA CYS 28 HA CYS 28 13.760 7.403 8.123
204 HB2 CYS 28 HB2 CYS 28 13.888 5.230 6.022
205 HB3 CYS 28 HB3 CYS 28 12.716 5.308 7.333
206 H VAL 29 H VAL 29 13.931 6.156 9.936
207 HA VAL 29 HA VAL 29 15.976 4.071 10.039
208 HB VAL 29 HB VAL 29 16.906 4.965 12.146
209 HG11 VAL 29 HG11 VAL 29 18.345 6.577 11.148
210 HG12 VAL 29 HG12 VAL 29 17.921 5.412 9.892
211 HG13 VAL 29 HG13 VAL 29 17.139 6.993 9.932
212 HG21 VAL 29 HG21 VAL 29 16.029 6.701 13.230
213 HG22 VAL 29 HG22 VAL 29 16.030 7.699 11.776
214 HG23 VAL 29 HG23 VAL 29 14.675 6.619 12.102
215 H LYS 30 H LYS 30 15.618 2.499 11.589
216 HA LYS 30 HA LYS 30 12.914 2.265 12.518
217 HB2 LYS 30 HB2 LYS 30 14.311 0.348 11.692
218 HB3 LYS 30 HB3 LYS 30 15.266 0.481 13.163
219 HG2 LYS 30 HG2 LYS 30 12.631 0.348 14.042
220 HG3 LYS 30 HG3 LYS 30 12.732 -0.820 12.722
221 HD2 LYS 30 HD2 LYS 30 14.452 -2.026 13.782
222 HD3 LYS 30 HD3 LYS 30 14.782 -0.716 14.918
223 HE2 LYS 30 HE2 LYS 30 12.076 -1.404 15.256
224 HE3 LYS 30 HE3 LYS 30 12.966 -2.923 15.165
225 HZ1 LYS 30 HZ1 LYS 30 13.932 -2.559 17.132
226 HZ2 LYS 30 HZ2 LYS 30 12.696 -1.434 17.387
227 HZ3 LYS 30 HZ3 LYS 30 14.206 -0.918 16.827
228 H GLY 31 H GLY 31 12.404 3.670 14.124
229 HA2 GLY 31 HA2 GLY 31 14.225 3.979 16.390
230 HA3 GLY 31 HA3 GLY 31 12.783 4.934 16.078
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.580 2.052 -2.604
2 HA2 GLY 1 HA2 GLY 1 1.734 2.026 0.235
3 HA3 GLY 1 HA3 GLY 1 1.968 0.407 -0.408
4 H TYR 2 H TYR 2 4.095 0.097 -0.008
5 HA TYR 2 HA TYR 2 6.355 0.295 -0.180
6 HB2 TYR 2 HB2 TYR 2 5.909 0.075 -2.562
7 HB3 TYR 2 HB3 TYR 2 5.590 1.801 -2.691
8 HD1 TYR 2 HD1 TYR 2 7.287 3.140 -3.493
9 HD2 TYR 2 HD2 TYR 2 8.306 -0.494 -1.531
10 HE1 TYR 2 HE1 TYR 2 9.661 3.547 -3.987
11 HE2 TYR 2 HE2 TYR 2 10.684 -0.097 -2.018
12 HH TYR 2 HH TYR 2 11.916 1.424 -4.047
13 H CYS 3 H CYS 3 6.692 1.543 1.657
14 HA CYS 3 HA CYS 3 6.796 4.452 1.311
15 HB2 CYS 3 HB2 CYS 3 7.340 3.213 3.956
16 HB3 CYS 3 HB3 CYS 3 6.433 4.670 3.560
17 H ALA 4 H ALA 4 8.635 5.272 3.058
18 HA ALA 4 HA ALA 4 11.117 4.451 1.792
19 HB1 ALA 4 HB1 ALA 4 10.387 6.711 3.633
20 HB2 ALA 4 HB2 ALA 4 12.056 6.362 3.180
21 HB3 ALA 4 HB3 ALA 4 10.876 6.786 1.940
22 H THR 5 H THR 5 12.063 2.691 2.604
23 HA THR 5 HA THR 5 11.827 1.997 5.400
24 HB THR 5 HB THR 5 13.476 0.127 4.646
25 HG1 THR 5 HG1 THR 5 14.125 0.881 2.668
26 HG21 THR 5 HG21 THR 5 11.569 -1.012 4.799
27 HG22 THR 5 HG22 THR 5 11.197 -0.573 3.132
28 HG23 THR 5 HG23 THR 5 10.639 0.446 4.458
29 H LYS 6 H LYS 6 13.907 1.233 6.522
30 HA LYS 6 HA LYS 6 15.494 3.361 7.182
31 HB2 LYS 6 HB2 LYS 6 15.440 1.334 8.514
32 HB3 LYS 6 HB3 LYS 6 16.218 0.427 7.224
33 HG2 LYS 6 HG2 LYS 6 18.278 1.459 7.575
34 HG3 LYS 6 HG3 LYS 6 17.558 2.789 8.486
35 HD2 LYS 6 HD2 LYS 6 17.221 1.458 10.383
36 HD3 LYS 6 HD3 LYS 6 17.415 -0.043 9.473
37 HE2 LYS 6 HE2 LYS 6 19.796 0.561 9.099
38 HE3 LYS 6 HE3 LYS 6 19.565 1.963 10.143
39 HZ1 LYS 6 HZ1 LYS 6 18.721 -0.545 11.298
40 HZ2 LYS 6 HZ2 LYS 6 19.635 0.706 11.976
41 HZ3 LYS 6 HZ3 LYS 6 20.382 -0.448 10.990
42 H GLY 7 H GLY 7 17.290 4.339 6.411
43 HA2 GLY 7 HA2 GLY 7 19.263 4.547 5.157
44 HA3 GLY 7 HA3 GLY 7 18.861 3.057 4.317
45 H ILE 8 H ILE 8 16.053 4.365 4.022
46 HA ILE 8 HA ILE 8 16.660 5.566 1.444
47 HB ILE 8 HB ILE 8 13.947 5.041 2.657
48 HG12 ILE 8 HG12 ILE 8 15.299 2.969 2.470
49 HG13 ILE 8 HG13 ILE 8 13.910 2.969 1.388
50 HG21 ILE 8 HG21 ILE 8 13.886 6.641 0.851
51 HG22 ILE 8 HG22 ILE 8 14.837 5.567 -0.174
52 HG23 ILE 8 HG23 ILE 8 13.202 5.110 0.303
53 HD11 ILE 8 HD11 ILE 8 16.540 2.432 0.722
54 HD12 ILE 8 HD12 ILE 8 15.206 2.730 -0.393
55 HD13 ILE 8 HD13 ILE 8 16.255 4.058 0.103
56 H LYS 9 H LYS 9 16.798 7.681 1.140
57 HA LYS 9 HA LYS 9 16.527 9.592 3.141
58 HB2 LYS 9 HB2 LYS 9 16.287 10.036 0.160
59 HB3 LYS 9 HB3 LYS 9 16.674 11.260 1.362
60 HG2 LYS 9 HG2 LYS 9 18.460 8.951 1.422
61 HG3 LYS 9 HG3 LYS 9 18.488 9.842 -0.101
62 HD2 LYS 9 HD2 LYS 9 18.499 11.601 2.213
63 HD3 LYS 9 HD3 LYS 9 19.870 10.489 2.207
64 HE2 LYS 9 HE2 LYS 9 20.846 11.534 0.484
65 HE3 LYS 9 HE3 LYS 9 19.330 11.668 -0.405
66 HZ1 LYS 9 HZ1 LYS 9 20.103 13.438 1.849
67 HZ2 LYS 9 HZ2 LYS 9 18.754 13.608 0.844
68 HZ3 LYS 9 HZ3 LYS 9 20.309 13.831 0.217
69 H CYS 10 H CYS 10 14.917 10.933 3.810
70 HA CYS 10 HA CYS 10 12.264 10.532 2.588
71 HB2 CYS 10 HB2 CYS 10 11.310 10.934 4.849
72 HB3 CYS 10 HB3 CYS 10 12.305 9.484 4.769
73 H ASN 11 H ASN 11 13.614 12.455 1.431
74 HA ASN 11 HA ASN 11 13.356 14.991 2.767
75 HB2 ASN 11 HB2 ASN 11 14.354 14.051 0.122
76 HB3 ASN 11 HB3 ASN 11 13.850 15.734 0.253
77 HD21 ASN 11 HD21 ASN 11 16.384 15.343 -0.354
78 HD22 ASN 11 HD22 ASN 11 17.422 15.653 0.992
79 H ASP 12 H ASP 12 11.417 13.033 0.689
80 HA ASP 12 HA ASP 12 9.250 14.957 0.885
81 HB2 ASP 12 HB2 ASP 12 8.757 14.840 -1.545
82 HB3 ASP 12 HB3 ASP 12 10.290 15.635 -1.199
83 H ILE 13 H ILE 13 10.080 12.126 1.682
84 HA ILE 13 HA ILE 13 7.505 10.902 1.017
85 HB ILE 13 HB ILE 13 9.226 9.982 -0.541
86 HG12 ILE 13 HG12 ILE 13 8.658 7.597 1.026
87 HG13 ILE 13 HG13 ILE 13 7.259 8.661 0.923
88 HG21 ILE 13 HG21 ILE 13 10.939 8.491 0.319
89 HG22 ILE 13 HG22 ILE 13 11.136 10.108 0.993
90 HG23 ILE 13 HG23 ILE 13 10.425 8.826 1.972
91 HD11 ILE 13 HD11 ILE 13 7.015 7.250 -0.895
92 HD12 ILE 13 HD12 ILE 13 7.742 8.695 -1.599
93 HD13 ILE 13 HD13 ILE 13 8.738 7.277 -1.273
94 H HIS 14 H HIS 14 6.655 9.588 2.602
95 HA HIS 14 HA HIS 14 7.965 9.783 5.207
96 HB2 HIS 14 HB2 HIS 14 5.442 10.339 4.613
97 HB3 HIS 14 HB3 HIS 14 5.240 8.609 4.873
98 HD1 HIS 14 HD1 HIS 14 7.202 11.236 6.817
99 HD2 HIS 14 HD2 HIS 14 4.295 8.322 7.382
100 HE1 HIS 14 HE1 HIS 14 6.714 11.243 9.284
101 H CYS 15 H CYS 15 8.059 7.940 6.630
102 HA CYS 15 HA CYS 15 8.732 5.509 5.177
103 HB2 CYS 15 HB2 CYS 15 9.011 5.777 8.145
104 HB3 CYS 15 HB3 CYS 15 10.025 4.900 7.004
105 H CYS 16 H CYS 16 7.972 3.424 5.840
106 HA CYS 16 HA CYS 16 5.182 3.307 6.213
107 HB2 CYS 16 HB2 CYS 16 7.400 1.348 6.017
108 HB3 CYS 16 HB3 CYS 16 5.930 0.784 6.805
109 H SER 17 H SER 17 3.989 2.353 7.959
110 HA SER 17 HA SER 17 4.437 3.460 10.437
111 HB2 SER 17 HB2 SER 17 2.369 2.155 9.410
112 HB3 SER 17 HB3 SER 17 3.054 0.814 10.329
113 HG SER 17 HG SER 17 2.941 2.143 12.191
114 H GLY 18 H GLY 18 6.001 3.158 11.870
115 HA2 GLY 18 HA2 GLY 18 6.880 1.473 13.484
116 HA3 GLY 18 HA3 GLY 18 7.193 0.461 12.082
117 H LEU 19 H LEU 19 7.930 3.206 10.760
118 HA LEU 19 HA LEU 19 10.696 3.216 11.775
119 HB2 LEU 19 HB2 LEU 19 9.622 3.671 9.001
120 HB3 LEU 19 HB3 LEU 19 11.277 4.056 9.470
121 HG LEU 19 HG LEU 19 10.058 1.297 9.573
122 HD11 LEU 19 HD11 LEU 19 12.002 2.429 7.568
123 HD12 LEU 19 HD12 LEU 19 10.280 2.190 7.273
124 HD13 LEU 19 HD13 LEU 19 11.321 0.803 7.591
125 HD21 LEU 19 HD21 LEU 19 11.897 1.750 11.178
126 HD22 LEU 19 HD22 LEU 19 12.934 2.174 9.815
127 HD23 LEU 19 HD23 LEU 19 12.303 0.533 9.967
128 H LYS 20 H LYS 20 11.856 5.267 11.580
129 HA LYS 20 HA LYS 20 10.051 7.587 11.800
130 HB2 LYS 20 HB2 LYS 20 11.794 8.525 13.380
131 HB3 LYS 20 HB3 LYS 20 10.854 7.170 13.992
132 HG2 LYS 20 HG2 LYS 20 12.635 5.729 13.940
133 HG3 LYS 20 HG3 LYS 20 13.467 6.630 12.671
134 HD2 LYS 20 HD2 LYS 20 14.391 8.114 14.141
135 HD3 LYS 20 HD3 LYS 20 13.051 7.982 15.283
136 HE2 LYS 20 HE2 LYS 20 14.314 5.447 15.122
137 HE3 LYS 20 HE3 LYS 20 15.573 6.664 15.329
138 HZ1 LYS 20 HZ1 LYS 20 13.161 6.495 17.047
139 HZ2 LYS 20 HZ2 LYS 20 14.536 7.447 17.299
140 HZ3 LYS 20 HZ3 LYS 20 14.637 5.764 17.434
141 H CYS 21 H CYS 21 10.511 9.322 10.581
142 HA CYS 21 HA CYS 21 12.683 9.126 8.683
143 HB2 CYS 21 HB2 CYS 21 10.635 9.906 7.771
144 HB3 CYS 21 HB3 CYS 21 10.422 11.084 9.062
145 H ASP 22 H ASP 22 14.595 9.458 9.747
146 HA ASP 22 HA ASP 22 15.095 11.363 11.726
147 HB2 ASP 22 HB2 ASP 22 16.543 9.362 10.772
148 HB3 ASP 22 HB3 ASP 22 17.260 10.643 9.800
149 H SER 23 H SER 23 14.602 13.453 11.461
150 HA SER 23 HA SER 23 14.802 14.810 8.960
151 HB2 SER 23 HB2 SER 23 14.244 16.835 10.283
152 HB3 SER 23 HB3 SER 23 13.142 15.497 10.608
153 HG SER 23 HG SER 23 14.448 16.849 12.377
154 H LYS 24 H LYS 24 17.068 13.983 11.309
155 HA LYS 24 HA LYS 24 18.807 16.262 10.916
156 HB2 LYS 24 HB2 LYS 24 19.264 13.641 12.353
157 HB3 LYS 24 HB3 LYS 24 20.377 15.002 12.360
158 HG2 LYS 24 HG2 LYS 24 17.910 16.049 13.155
159 HG3 LYS 24 HG3 LYS 24 18.079 14.513 14.008
160 HD2 LYS 24 HD2 LYS 24 20.286 15.210 14.815
161 HD3 LYS 24 HD3 LYS 24 20.108 16.748 13.967
162 HE2 LYS 24 HE2 LYS 24 19.530 17.183 16.210
163 HE3 LYS 24 HE3 LYS 24 18.003 17.097 15.332
164 HZ1 LYS 24 HZ1 LYS 24 19.129 14.754 16.743
165 HZ2 LYS 24 HZ2 LYS 24 17.542 14.995 16.211
166 HZ3 LYS 24 HZ3 LYS 24 18.135 15.875 17.528
167 H ARG 25 H ARG 25 18.758 12.833 10.011
168 HA ARG 25 HA ARG 25 21.037 13.300 8.223
169 HB2 ARG 25 HB2 ARG 25 19.764 10.735 9.191
170 HB3 ARG 25 HB3 ARG 25 21.097 10.811 8.047
171 HG2 ARG 25 HG2 ARG 25 21.555 12.291 10.531
172 HG3 ARG 25 HG3 ARG 25 21.359 10.549 10.736
173 HD2 ARG 25 HD2 ARG 25 23.281 11.879 8.829
174 HD3 ARG 25 HD3 ARG 25 23.710 11.203 10.400
175 HE ARG 25 HE ARG 25 23.303 9.767 7.966
176 HH11 ARG 25 HH11 ARG 25 23.041 9.559 11.431
177 HH12 ARG 25 HH12 ARG 25 23.207 7.835 11.471
178 HH21 ARG 25 HH21 ARG 25 23.522 7.497 8.005
179 HH22 ARG 25 HH22 ARG 25 23.481 6.663 9.522
180 H LYS 26 H LYS 26 17.842 13.613 8.040
181 HA LYS 26 HA LYS 26 16.259 13.501 6.404
182 HB2 LYS 26 HB2 LYS 26 18.807 13.829 4.838
183 HB3 LYS 26 HB3 LYS 26 17.247 13.738 4.031
184 HG2 LYS 26 HG2 LYS 26 16.486 15.719 5.078
185 HG3 LYS 26 HG3 LYS 26 17.852 15.732 6.196
186 HD2 LYS 26 HD2 LYS 26 18.704 15.698 3.421
187 HD3 LYS 26 HD3 LYS 26 17.679 17.087 3.785
188 HE2 LYS 26 HE2 LYS 26 19.984 17.675 4.171
189 HE3 LYS 26 HE3 LYS 26 19.135 17.605 5.715
190 HZ1 LYS 26 HZ1 LYS 26 20.039 15.340 6.002
191 HZ2 LYS 26 HZ2 LYS 26 21.239 16.530 5.940
192 HZ3 LYS 26 HZ3 LYS 26 20.954 15.546 4.594
193 H VAL 27 H VAL 27 16.940 11.008 7.450
194 HA VAL 27 HA VAL 27 16.185 9.307 5.217
195 HB VAL 27 HB VAL 27 17.884 7.578 5.838
196 HG11 VAL 27 HG11 VAL 27 18.214 8.879 3.849
197 HG12 VAL 27 HG12 VAL 27 18.876 10.222 4.782
198 HG13 VAL 27 HG13 VAL 27 19.767 8.704 4.666
199 HG21 VAL 27 HG21 VAL 27 18.327 9.118 8.037
200 HG22 VAL 27 HG22 VAL 27 19.431 7.878 7.441
201 HG23 VAL 27 HG23 VAL 27 19.690 9.569 7.012
202 H CYS 28 H CYS 28 15.261 7.301 5.863
203 HA CYS 28 HA CYS 28 13.902 7.457 8.391
204 HB2 CYS 28 HB2 CYS 28 13.872 5.290 6.279
205 HB3 CYS 28 HB3 CYS 28 12.775 5.391 7.653
206 H VAL 29 H VAL 29 14.027 5.999 10.109
207 HA VAL 29 HA VAL 29 16.099 3.961 10.090
208 HB VAL 29 HB VAL 29 17.085 4.817 12.226
209 HG11 VAL 29 HG11 VAL 29 18.620 6.275 11.165
210 HG12 VAL 29 HG12 VAL 29 18.081 5.138 9.927
211 HG13 VAL 29 HG13 VAL 29 17.427 6.776 9.968
212 HG21 VAL 29 HG21 VAL 29 16.803 7.293 12.617
213 HG22 VAL 29 HG22 VAL 29 15.420 7.225 11.524
214 HG23 VAL 29 HG23 VAL 29 15.407 6.293 13.021
215 H LYS 30 H LYS 30 16.038 2.599 12.025
216 HA LYS 30 HA LYS 30 13.342 2.034 12.795
217 HB2 LYS 30 HB2 LYS 30 15.313 0.389 12.443
218 HB3 LYS 30 HB3 LYS 30 15.767 0.815 14.088
219 HG2 LYS 30 HG2 LYS 30 14.055 -0.332 15.005
220 HG3 LYS 30 HG3 LYS 30 12.952 0.036 13.677
221 HD2 LYS 30 HD2 LYS 30 14.796 -1.556 12.447
222 HD3 LYS 30 HD3 LYS 30 14.741 -2.255 14.067
223 HE2 LYS 30 HE2 LYS 30 12.315 -2.473 13.895
224 HE3 LYS 30 HE3 LYS 30 12.356 -1.747 12.289
225 HZ1 LYS 30 HZ1 LYS 30 13.827 -3.629 11.622
226 HZ2 LYS 30 HZ2 LYS 30 12.246 -4.083 12.015
227 HZ3 LYS 30 HZ3 LYS 30 13.501 -4.355 13.115
228 H GLY 31 H GLY 31 12.265 2.640 14.571
229 HA2 GLY 31 HA2 GLY 31 13.806 3.793 16.807
230 HA3 GLY 31 HA3 GLY 31 12.411 4.638 16.151
Start of MODEL 12
1 H1 GLY 1 H GLY 1 0.432 -0.998 -0.154
2 HA2 GLY 1 HA2 GLY 1 1.743 -0.642 -2.073
3 HA3 GLY 1 HA3 GLY 1 1.811 0.928 -1.286
4 H TYR 2 H TYR 2 3.746 1.716 -0.743
5 HA TYR 2 HA TYR 2 5.946 0.125 0.071
6 HB2 TYR 2 HB2 TYR 2 5.815 -0.284 -2.458
7 HB3 TYR 2 HB3 TYR 2 6.337 1.387 -2.637
8 HD1 TYR 2 HD1 TYR 2 7.318 -1.847 -1.076
9 HD2 TYR 2 HD2 TYR 2 8.610 1.920 -2.575
10 HE1 TYR 2 HE1 TYR 2 9.659 -2.561 -0.835
11 HE2 TYR 2 HE2 TYR 2 10.955 1.216 -2.338
12 HH TYR 2 HH TYR 2 12.338 -0.424 -1.777
13 H CYS 3 H CYS 3 6.574 1.470 1.632
14 HA CYS 3 HA CYS 3 6.745 4.343 1.071
15 HB2 CYS 3 HB2 CYS 3 7.280 3.294 3.798
16 HB3 CYS 3 HB3 CYS 3 6.399 4.735 3.298
17 H ALA 4 H ALA 4 8.615 5.185 2.832
18 HA ALA 4 HA ALA 4 11.070 4.236 1.586
19 HB1 ALA 4 HB1 ALA 4 11.008 6.551 1.552
20 HB2 ALA 4 HB2 ALA 4 10.333 6.659 3.178
21 HB3 ALA 4 HB3 ALA 4 12.025 6.215 2.954
22 H THR 5 H THR 5 11.999 2.527 2.511
23 HA THR 5 HA THR 5 11.743 2.017 5.346
24 HB THR 5 HB THR 5 13.357 0.071 4.715
25 HG1 THR 5 HG1 THR 5 12.330 0.601 2.126
26 HG21 THR 5 HG21 THR 5 11.058 -0.680 3.252
27 HG22 THR 5 HG22 THR 5 10.526 0.430 4.516
28 HG23 THR 5 HG23 THR 5 11.431 -1.023 4.941
29 H LYS 6 H LYS 6 13.879 1.186 6.427
30 HA LYS 6 HA LYS 6 15.474 3.315 7.055
31 HB2 LYS 6 HB2 LYS 6 15.473 1.278 8.372
32 HB3 LYS 6 HB3 LYS 6 16.214 0.384 7.051
33 HG2 LYS 6 HG2 LYS 6 18.285 1.288 7.414
34 HG3 LYS 6 HG3 LYS 6 17.637 2.757 8.147
35 HD2 LYS 6 HD2 LYS 6 17.291 1.730 10.202
36 HD3 LYS 6 HD3 LYS 6 17.293 0.109 9.502
37 HE2 LYS 6 HE2 LYS 6 19.781 0.842 8.868
38 HE3 LYS 6 HE3 LYS 6 19.558 1.847 10.299
39 HZ1 LYS 6 HZ1 LYS 6 20.491 -0.210 10.984
40 HZ2 LYS 6 HZ2 LYS 6 19.339 -1.106 10.131
41 HZ3 LYS 6 HZ3 LYS 6 18.877 -0.211 11.490
42 H GLY 7 H GLY 7 17.123 4.387 6.150
43 HA2 GLY 7 HA2 GLY 7 19.128 4.539 4.880
44 HA3 GLY 7 HA3 GLY 7 18.635 3.111 3.983
45 H ILE 8 H ILE 8 15.863 4.477 3.857
46 HA ILE 8 HA ILE 8 16.422 5.865 1.357
47 HB ILE 8 HB ILE 8 13.722 5.239 2.546
48 HG12 ILE 8 HG12 ILE 8 15.072 3.182 2.259
49 HG13 ILE 8 HG13 ILE 8 13.695 3.236 1.164
50 HG21 ILE 8 HG21 ILE 8 13.570 6.898 0.844
51 HG22 ILE 8 HG22 ILE 8 14.647 5.993 -0.218
52 HG23 ILE 8 HG23 ILE 8 13.035 5.373 0.139
53 HD11 ILE 8 HD11 ILE 8 15.883 4.414 -0.175
54 HD12 ILE 8 HD12 ILE 8 16.446 2.910 0.555
55 HD13 ILE 8 HD13 ILE 8 15.060 2.896 -0.535
56 H LYS 9 H LYS 9 16.058 7.993 0.981
57 HA LYS 9 HA LYS 9 16.205 9.856 3.008
58 HB2 LYS 9 HB2 LYS 9 15.074 10.146 0.222
59 HB3 LYS 9 HB3 LYS 9 15.383 11.505 1.295
60 HG2 LYS 9 HG2 LYS 9 17.655 9.685 0.907
61 HG3 LYS 9 HG3 LYS 9 17.137 10.566 -0.532
62 HD2 LYS 9 HD2 LYS 9 17.331 12.676 0.682
63 HD3 LYS 9 HD3 LYS 9 17.819 11.803 2.137
64 HE2 LYS 9 HE2 LYS 9 19.914 11.423 1.366
65 HE3 LYS 9 HE3 LYS 9 19.383 11.252 -0.307
66 HZ1 LYS 9 HZ1 LYS 9 18.918 13.862 0.209
67 HZ2 LYS 9 HZ2 LYS 9 20.288 13.257 -0.577
68 HZ3 LYS 9 HZ3 LYS 9 20.340 13.581 1.082
69 H CYS 10 H CYS 10 14.759 11.108 4.140
70 HA CYS 10 HA CYS 10 11.917 10.369 3.889
71 HB2 CYS 10 HB2 CYS 10 11.660 10.232 6.194
72 HB3 CYS 10 HB3 CYS 10 13.262 9.539 5.964
73 H ASN 11 H ASN 11 13.837 12.713 3.082
74 HA ASN 11 HA ASN 11 12.645 14.977 4.403
75 HB2 ASN 11 HB2 ASN 11 13.950 16.265 2.631
76 HB3 ASN 11 HB3 ASN 11 14.901 15.280 3.738
77 HD21 ASN 11 HD21 ASN 11 13.624 15.525 0.497
78 HD22 ASN 11 HD22 ASN 11 14.712 14.393 -0.225
79 H ASP 12 H ASP 12 12.152 13.189 1.452
80 HA ASP 12 HA ASP 12 10.037 15.087 0.675
81 HB2 ASP 12 HB2 ASP 12 10.338 13.672 -1.572
82 HB3 ASP 12 HB3 ASP 12 11.327 15.085 -1.212
83 H ILE 13 H ILE 13 10.853 11.620 0.645
84 HA ILE 13 HA ILE 13 8.017 10.950 0.490
85 HB ILE 13 HB ILE 13 9.610 9.728 -0.947
86 HG12 ILE 13 HG12 ILE 13 8.663 7.654 0.963
87 HG13 ILE 13 HG13 ILE 13 7.453 8.745 0.296
88 HG21 ILE 13 HG21 ILE 13 10.667 8.522 1.603
89 HG22 ILE 13 HG22 ILE 13 11.212 8.196 -0.042
90 HG23 ILE 13 HG23 ILE 13 11.493 9.779 0.682
91 HD11 ILE 13 HD11 ILE 13 7.356 7.449 -1.488
92 HD12 ILE 13 HD12 ILE 13 9.018 7.903 -1.868
93 HD13 ILE 13 HD13 ILE 13 8.696 6.467 -0.897
94 H HIS 14 H HIS 14 6.968 9.627 2.011
95 HA HIS 14 HA HIS 14 8.035 9.897 4.716
96 HB2 HIS 14 HB2 HIS 14 5.301 9.317 3.603
97 HB3 HIS 14 HB3 HIS 14 5.669 9.040 5.303
98 HD1 HIS 14 HD1 HIS 14 7.446 11.607 5.697
99 HD2 HIS 14 HD2 HIS 14 3.682 11.513 3.942
100 HE1 HIS 14 HE1 HIS 14 6.529 13.935 5.948
101 H CYS 15 H CYS 15 8.129 8.146 6.181
102 HA CYS 15 HA CYS 15 8.750 5.614 4.884
103 HB2 CYS 15 HB2 CYS 15 9.007 6.052 7.833
104 HB3 CYS 15 HB3 CYS 15 10.009 5.084 6.757
105 H CYS 16 H CYS 16 7.953 3.587 5.718
106 HA CYS 16 HA CYS 16 5.148 3.565 6.050
107 HB2 CYS 16 HB2 CYS 16 7.316 1.544 5.991
108 HB3 CYS 16 HB3 CYS 16 5.828 1.066 6.802
109 H SER 17 H SER 17 3.900 2.838 7.836
110 HA SER 17 HA SER 17 4.432 4.045 10.258
111 HB2 SER 17 HB2 SER 17 2.631 2.652 11.191
112 HB3 SER 17 HB3 SER 17 2.195 3.269 9.598
113 HG SER 17 HG SER 17 2.073 0.815 10.309
114 H GLY 18 H GLY 18 5.970 3.681 11.704
115 HA2 GLY 18 HA2 GLY 18 6.641 1.949 13.406
116 HA3 GLY 18 HA3 GLY 18 6.961 0.915 12.021
117 H LEU 19 H LEU 19 7.970 3.397 10.571
118 HA LEU 19 HA LEU 19 10.666 3.319 11.738
119 HB2 LEU 19 HB2 LEU 19 9.698 3.878 8.945
120 HB3 LEU 19 HB3 LEU 19 11.360 4.156 9.461
121 HG LEU 19 HG LEU 19 9.992 1.469 9.534
122 HD11 LEU 19 HD11 LEU 19 10.221 2.341 7.233
123 HD12 LEU 19 HD12 LEU 19 11.218 0.919 7.537
124 HD13 LEU 19 HD13 LEU 19 11.954 2.521 7.503
125 HD21 LEU 19 HD21 LEU 19 11.916 1.914 11.101
126 HD22 LEU 19 HD22 LEU 19 12.927 2.123 9.671
127 HD23 LEU 19 HD23 LEU 19 12.140 0.574 9.977
128 H LYS 20 H LYS 20 11.871 5.217 11.987
129 HA LYS 20 HA LYS 20 10.232 7.626 12.280
130 HB2 LYS 20 HB2 LYS 20 12.978 6.948 13.350
131 HB3 LYS 20 HB3 LYS 20 12.142 8.468 13.635
132 HG2 LYS 20 HG2 LYS 20 10.328 6.487 14.386
133 HG3 LYS 20 HG3 LYS 20 11.892 5.953 15.006
134 HD2 LYS 20 HD2 LYS 20 12.203 8.118 16.097
135 HD3 LYS 20 HD3 LYS 20 10.649 8.665 15.465
136 HE2 LYS 20 HE2 LYS 20 9.808 7.926 17.403
137 HE3 LYS 20 HE3 LYS 20 9.979 6.319 16.700
138 HZ1 LYS 20 HZ1 LYS 20 12.340 6.442 17.670
139 HZ2 LYS 20 HZ2 LYS 20 11.052 6.127 18.719
140 HZ3 LYS 20 HZ3 LYS 20 11.724 7.678 18.646
141 H CYS 21 H CYS 21 10.827 9.613 11.401
142 HA CYS 21 HA CYS 21 12.510 9.410 9.021
143 HB2 CYS 21 HB2 CYS 21 10.378 10.347 8.551
144 HB3 CYS 21 HB3 CYS 21 10.466 11.429 9.937
145 H ASP 22 H ASP 22 14.593 9.570 9.754
146 HA ASP 22 HA ASP 22 15.513 11.323 11.739
147 HB2 ASP 22 HB2 ASP 22 16.667 9.287 10.541
148 HB3 ASP 22 HB3 ASP 22 17.282 10.532 9.457
149 H SER 23 H SER 23 15.008 13.439 11.590
150 HA SER 23 HA SER 23 15.044 14.885 9.126
151 HB2 SER 23 HB2 SER 23 14.593 15.576 12.001
152 HB3 SER 23 HB3 SER 23 14.937 16.878 10.862
153 HG SER 23 HG SER 23 12.695 16.474 11.034
154 H LYS 24 H LYS 24 17.448 13.921 11.283
155 HA LYS 24 HA LYS 24 19.217 16.167 10.814
156 HB2 LYS 24 HB2 LYS 24 19.754 13.513 12.162
157 HB3 LYS 24 HB3 LYS 24 20.826 14.907 12.171
158 HG2 LYS 24 HG2 LYS 24 18.982 16.183 13.308
159 HG3 LYS 24 HG3 LYS 24 18.136 14.644 13.485
160 HD2 LYS 24 HD2 LYS 24 19.407 14.054 15.220
161 HD3 LYS 24 HD3 LYS 24 20.892 14.452 14.352
162 HE2 LYS 24 HE2 LYS 24 19.112 16.454 15.737
163 HE3 LYS 24 HE3 LYS 24 20.582 15.769 16.427
164 HZ1 LYS 24 HZ1 LYS 24 21.218 17.809 15.515
165 HZ2 LYS 24 HZ2 LYS 24 20.324 17.574 14.099
166 HZ3 LYS 24 HZ3 LYS 24 21.727 16.669 14.373
167 H ARG 25 H ARG 25 18.969 12.770 9.843
168 HA ARG 25 HA ARG 25 21.176 13.166 7.952
169 HB2 ARG 25 HB2 ARG 25 19.806 10.648 8.912
170 HB3 ARG 25 HB3 ARG 25 21.081 10.683 7.702
171 HG2 ARG 25 HG2 ARG 25 22.603 11.669 9.365
172 HG3 ARG 25 HG3 ARG 25 21.323 11.549 10.574
173 HD2 ARG 25 HD2 ARG 25 21.277 9.129 10.305
174 HD3 ARG 25 HD3 ARG 25 22.517 9.233 9.056
175 HE ARG 25 HE ARG 25 24.095 9.406 10.699
176 HH11 ARG 25 HH11 ARG 25 20.969 10.116 12.058
177 HH12 ARG 25 HH12 ARG 25 21.550 10.191 13.688
178 HH21 ARG 25 HH21 ARG 25 24.872 9.502 12.841
179 HH22 ARG 25 HH22 ARG 25 23.770 9.842 14.133
180 H LYS 26 H LYS 26 17.972 13.607 7.962
181 HA LYS 26 HA LYS 26 16.308 13.630 6.405
182 HB2 LYS 26 HB2 LYS 26 18.657 13.742 4.504
183 HB3 LYS 26 HB3 LYS 26 16.999 14.179 4.111
184 HG2 LYS 26 HG2 LYS 26 17.067 16.041 5.614
185 HG3 LYS 26 HG3 LYS 26 18.647 15.547 6.226
186 HD2 LYS 26 HD2 LYS 26 18.287 16.091 3.309
187 HD3 LYS 26 HD3 LYS 26 18.470 17.438 4.436
188 HE2 LYS 26 HE2 LYS 26 20.485 15.802 5.234
189 HE3 LYS 26 HE3 LYS 26 20.438 15.462 3.505
190 HZ1 LYS 26 HZ1 LYS 26 20.633 17.842 3.081
191 HZ2 LYS 26 HZ2 LYS 26 21.946 17.273 3.983
192 HZ3 LYS 26 HZ3 LYS 26 20.714 18.148 4.743
193 H VAL 27 H VAL 27 16.871 11.083 7.308
194 HA VAL 27 HA VAL 27 15.998 9.510 5.026
195 HB VAL 27 HB VAL 27 17.631 7.665 5.645
196 HG11 VAL 27 HG11 VAL 27 18.683 10.216 4.429
197 HG12 VAL 27 HG12 VAL 27 19.449 8.633 4.281
198 HG13 VAL 27 HG13 VAL 27 17.851 8.910 3.585
199 HG21 VAL 27 HG21 VAL 27 19.388 8.013 7.040
200 HG22 VAL 27 HG22 VAL 27 19.492 9.733 6.661
201 HG23 VAL 27 HG23 VAL 27 18.255 9.149 7.774
202 H CYS 28 H CYS 28 15.293 7.307 5.698
203 HA CYS 28 HA CYS 28 13.816 7.498 8.179
204 HB2 CYS 28 HB2 CYS 28 13.863 5.268 6.134
205 HB3 CYS 28 HB3 CYS 28 12.693 5.464 7.435
206 H VAL 29 H VAL 29 14.043 6.204 9.966
207 HA VAL 29 HA VAL 29 16.202 4.220 9.973
208 HB VAL 29 HB VAL 29 17.003 5.055 12.164
209 HG11 VAL 29 HG11 VAL 29 18.000 5.701 9.919
210 HG12 VAL 29 HG12 VAL 29 17.180 7.250 10.119
211 HG13 VAL 29 HG13 VAL 29 18.397 6.737 11.289
212 HG21 VAL 29 HG21 VAL 29 16.354 7.195 13.006
213 HG22 VAL 29 HG22 VAL 29 15.357 7.513 11.586
214 HG23 VAL 29 HG23 VAL 29 14.885 6.259 12.733
215 H LYS 30 H LYS 30 16.190 2.982 12.111
216 HA LYS 30 HA LYS 30 13.578 1.906 12.492
217 HB2 LYS 30 HB2 LYS 30 15.918 0.758 12.683
218 HB3 LYS 30 HB3 LYS 30 15.870 1.340 14.342
219 HG2 LYS 30 HG2 LYS 30 14.659 -0.417 14.913
220 HG3 LYS 30 HG3 LYS 30 13.383 0.107 13.811
221 HD2 LYS 30 HD2 LYS 30 14.451 -1.096 11.980
222 HD3 LYS 30 HD3 LYS 30 15.764 -1.587 13.053
223 HE2 LYS 30 HE2 LYS 30 13.519 -2.395 14.418
224 HE3 LYS 30 HE3 LYS 30 13.081 -2.693 12.736
225 HZ1 LYS 30 HZ1 LYS 30 15.432 -3.768 12.662
226 HZ2 LYS 30 HZ2 LYS 30 14.124 -4.637 13.289
227 HZ3 LYS 30 HZ3 LYS 30 15.227 -3.898 14.337
228 H GLY 31 H GLY 31 12.213 2.030 14.251
229 HA2 GLY 31 HA2 GLY 31 12.774 4.267 16.090
230 HA3 GLY 31 HA3 GLY 31 11.168 3.719 15.630
Start of MODEL 13
1 H1 GLY 1 H GLY 1 1.095 1.194 0.025
2 HA2 GLY 1 HA2 GLY 1 1.809 -0.599 -2.173
3 HA3 GLY 1 HA3 GLY 1 2.030 1.144 -2.143
4 H TYR 2 H TYR 2 3.851 2.025 -1.120
5 HA TYR 2 HA TYR 2 5.799 0.362 0.160
6 HB2 TYR 2 HB2 TYR 2 6.122 -0.186 -2.269
7 HB3 TYR 2 HB3 TYR 2 6.546 1.501 -2.538
8 HD1 TYR 2 HD1 TYR 2 7.489 -1.090 -0.004
9 HD2 TYR 2 HD2 TYR 2 8.807 1.805 -2.830
10 HE1 TYR 2 HE1 TYR 2 9.824 -1.591 0.581
11 HE2 TYR 2 HE2 TYR 2 11.146 1.312 -2.253
12 HH TYR 2 HH TYR 2 11.999 -1.349 -0.153
13 H CYS 3 H CYS 3 6.553 1.635 1.704
14 HA CYS 3 HA CYS 3 6.679 4.528 1.243
15 HB2 CYS 3 HB2 CYS 3 7.213 3.394 3.937
16 HB3 CYS 3 HB3 CYS 3 6.312 4.836 3.480
17 H ALA 4 H ALA 4 8.524 5.333 3.054
18 HA ALA 4 HA ALA 4 10.999 4.506 1.775
19 HB1 ALA 4 HB1 ALA 4 11.887 6.396 3.347
20 HB2 ALA 4 HB2 ALA 4 10.955 6.802 1.905
21 HB3 ALA 4 HB3 ALA 4 10.177 6.806 3.488
22 H THR 5 H THR 5 11.957 2.751 2.577
23 HA THR 5 HA THR 5 11.707 2.036 5.369
24 HB THR 5 HB THR 5 13.343 0.159 4.603
25 HG1 THR 5 HG1 THR 5 14.012 0.819 2.631
26 HG21 THR 5 HG21 THR 5 10.509 0.497 4.427
27 HG22 THR 5 HG22 THR 5 11.431 -0.973 4.745
28 HG23 THR 5 HG23 THR 5 11.054 -0.510 3.086
29 H LYS 6 H LYS 6 13.787 1.246 6.479
30 HA LYS 6 HA LYS 6 15.391 3.368 7.140
31 HB2 LYS 6 HB2 LYS 6 16.749 1.864 8.323
32 HB3 LYS 6 HB3 LYS 6 15.179 1.073 8.270
33 HG2 LYS 6 HG2 LYS 6 15.949 -0.312 6.401
34 HG3 LYS 6 HG3 LYS 6 17.529 0.470 6.484
35 HD2 LYS 6 HD2 LYS 6 17.657 -0.312 8.880
36 HD3 LYS 6 HD3 LYS 6 16.221 -1.287 8.553
37 HE2 LYS 6 HE2 LYS 6 18.896 -1.479 7.172
38 HE3 LYS 6 HE3 LYS 6 18.203 -2.645 8.299
39 HZ1 LYS 6 HZ1 LYS 6 17.479 -3.647 6.455
40 HZ2 LYS 6 HZ2 LYS 6 17.688 -2.277 5.487
41 HZ3 LYS 6 HZ3 LYS 6 16.286 -2.448 6.418
42 H GLY 7 H GLY 7 17.277 4.257 6.433
43 HA2 GLY 7 HA2 GLY 7 19.211 4.488 5.153
44 HA3 GLY 7 HA3 GLY 7 18.839 2.964 4.361
45 H ILE 8 H ILE 8 16.029 4.508 4.153
46 HA ILE 8 HA ILE 8 16.646 5.525 1.477
47 HB ILE 8 HB ILE 8 13.935 5.024 2.707
48 HG12 ILE 8 HG12 ILE 8 15.300 2.956 2.515
49 HG13 ILE 8 HG13 ILE 8 13.891 2.943 1.459
50 HG21 ILE 8 HG21 ILE 8 14.886 5.897 0.025
51 HG22 ILE 8 HG22 ILE 8 13.443 4.889 0.130
52 HG23 ILE 8 HG23 ILE 8 13.495 6.443 0.963
53 HD11 ILE 8 HD11 ILE 8 16.584 2.518 0.777
54 HD12 ILE 8 HD12 ILE 8 15.183 2.580 -0.293
55 HD13 ILE 8 HD13 ILE 8 16.103 4.047 0.042
56 H LYS 9 H LYS 9 16.579 7.623 0.983
57 HA LYS 9 HA LYS 9 16.504 9.632 2.895
58 HB2 LYS 9 HB2 LYS 9 15.934 9.811 -0.069
59 HB3 LYS 9 HB3 LYS 9 16.231 11.195 0.974
60 HG2 LYS 9 HG2 LYS 9 18.281 9.082 1.034
61 HG3 LYS 9 HG3 LYS 9 18.132 9.978 -0.479
62 HD2 LYS 9 HD2 LYS 9 18.143 12.067 1.081
63 HD3 LYS 9 HD3 LYS 9 18.875 10.961 2.247
64 HE2 LYS 9 HE2 LYS 9 20.222 10.534 -0.175
65 HE3 LYS 9 HE3 LYS 9 20.062 12.283 -0.015
66 HZ1 LYS 9 HZ1 LYS 9 21.396 12.334 1.794
67 HZ2 LYS 9 HZ2 LYS 9 22.038 10.940 1.085
68 HZ3 LYS 9 HZ3 LYS 9 20.923 10.808 2.350
69 H CYS 10 H CYS 10 14.949 10.877 3.787
70 HA CYS 10 HA CYS 10 12.179 10.448 2.876
71 HB2 CYS 10 HB2 CYS 10 11.406 10.480 5.133
72 HB3 CYS 10 HB3 CYS 10 12.757 9.353 5.079
73 H ASN 11 H ASN 11 14.139 12.549 2.181
74 HA ASN 11 HA ASN 11 13.667 14.952 3.509
75 HB2 ASN 11 HB2 ASN 11 14.193 14.582 0.551
76 HB3 ASN 11 HB3 ASN 11 14.462 16.053 1.483
77 HD21 ASN 11 HD21 ASN 11 16.502 16.387 1.934
78 HD22 ASN 11 HD22 ASN 11 17.695 15.176 2.244
79 H ASP 12 H ASP 12 11.648 13.148 1.380
80 HA ASP 12 HA ASP 12 9.578 15.202 1.635
81 HB2 ASP 12 HB2 ASP 12 8.941 14.523 -0.815
82 HB3 ASP 12 HB3 ASP 12 10.191 15.733 -0.535
83 H ILE 13 H ILE 13 10.395 11.883 0.727
84 HA ILE 13 HA ILE 13 7.670 10.977 0.996
85 HB ILE 13 HB ILE 13 9.277 9.946 -0.611
86 HG12 ILE 13 HG12 ILE 13 8.624 7.592 -0.091
87 HG13 ILE 13 HG13 ILE 13 8.058 8.136 1.485
88 HG21 ILE 13 HG21 ILE 13 11.247 9.997 0.862
89 HG22 ILE 13 HG22 ILE 13 10.511 8.748 1.865
90 HG23 ILE 13 HG23 ILE 13 10.953 8.392 0.196
91 HD11 ILE 13 HD11 ILE 13 6.820 9.797 -0.400
92 HD12 ILE 13 HD12 ILE 13 6.706 8.153 -1.030
93 HD13 ILE 13 HD13 ILE 13 6.085 8.526 0.577
94 H HIS 14 H HIS 14 6.815 9.715 2.625
95 HA HIS 14 HA HIS 14 8.224 9.879 5.181
96 HB2 HIS 14 HB2 HIS 14 5.713 10.552 4.671
97 HB3 HIS 14 HB3 HIS 14 5.434 8.836 4.952
98 HD1 HIS 14 HD1 HIS 14 5.047 8.207 7.313
99 HD2 HIS 14 HD2 HIS 14 7.118 11.794 6.986
100 HE1 HIS 14 HE1 HIS 14 5.292 9.059 9.666
101 H CYS 15 H CYS 15 8.195 8.037 6.647
102 HA CYS 15 HA CYS 15 8.774 5.573 5.209
103 HB2 CYS 15 HB2 CYS 15 9.027 5.838 8.180
104 HB3 CYS 15 HB3 CYS 15 10.015 4.912 7.054
105 H CYS 16 H CYS 16 7.902 3.531 5.843
106 HA CYS 16 HA CYS 16 5.112 3.530 6.178
107 HB2 CYS 16 HB2 CYS 16 7.249 1.479 6.052
108 HB3 CYS 16 HB3 CYS 16 5.741 0.987 6.816
109 H SER 17 H SER 17 3.830 2.711 7.908
110 HA SER 17 HA SER 17 4.317 3.804 10.389
111 HB2 SER 17 HB2 SER 17 2.488 2.439 11.222
112 HB3 SER 17 HB3 SER 17 2.105 2.983 9.589
113 HG SER 17 HG SER 17 1.810 0.940 9.209
114 H GLY 18 H GLY 18 6.064 3.425 11.599
115 HA2 GLY 18 HA2 GLY 18 6.675 1.629 13.325
116 HA3 GLY 18 HA3 GLY 18 6.980 0.640 11.904
117 H LEU 19 H LEU 19 7.906 3.358 10.667
118 HA LEU 19 HA LEU 19 10.630 3.213 11.782
119 HB2 LEU 19 HB2 LEU 19 9.692 3.787 8.980
120 HB3 LEU 19 HB3 LEU 19 11.350 4.040 9.522
121 HG LEU 19 HG LEU 19 9.953 1.367 9.560
122 HD11 LEU 19 HD11 LEU 19 11.904 2.453 7.534
123 HD12 LEU 19 HD12 LEU 19 10.178 2.212 7.266
124 HD13 LEU 19 HD13 LEU 19 11.225 0.826 7.569
125 HD21 LEU 19 HD21 LEU 19 12.900 1.944 9.669
126 HD22 LEU 19 HD22 LEU 19 12.057 0.443 10.051
127 HD23 LEU 19 HD23 LEU 19 11.907 1.837 11.123
128 H LYS 20 H LYS 20 11.892 5.198 11.698
129 HA LYS 20 HA LYS 20 10.187 7.582 12.001
130 HB2 LYS 20 HB2 LYS 20 12.751 6.796 13.383
131 HB3 LYS 20 HB3 LYS 20 12.102 8.430 13.445
132 HG2 LYS 20 HG2 LYS 20 10.162 6.362 14.149
133 HG3 LYS 20 HG3 LYS 20 11.557 6.442 15.228
134 HD2 LYS 20 HD2 LYS 20 10.470 9.063 14.542
135 HD3 LYS 20 HD3 LYS 20 9.315 8.024 15.380
136 HE2 LYS 20 HE2 LYS 20 11.936 7.884 16.590
137 HE3 LYS 20 HE3 LYS 20 11.350 9.545 16.523
138 HZ1 LYS 20 HZ1 LYS 20 9.823 9.136 18.074
139 HZ2 LYS 20 HZ2 LYS 20 10.694 7.728 18.416
140 HZ3 LYS 20 HZ3 LYS 20 9.356 7.664 17.383
141 H CYS 21 H CYS 21 10.605 9.344 10.802
142 HA CYS 21 HA CYS 21 12.665 9.140 8.766
143 HB2 CYS 21 HB2 CYS 21 10.576 9.875 7.927
144 HB3 CYS 21 HB3 CYS 21 10.374 11.041 9.229
145 H ASP 22 H ASP 22 14.623 9.539 9.697
146 HA ASP 22 HA ASP 22 15.147 11.500 11.642
147 HB2 ASP 22 HB2 ASP 22 16.582 9.467 10.746
148 HB3 ASP 22 HB3 ASP 22 17.271 10.703 9.697
149 H SER 23 H SER 23 14.607 13.569 11.286
150 HA SER 23 HA SER 23 14.789 14.823 8.729
151 HB2 SER 23 HB2 SER 23 13.105 15.645 10.197
152 HB3 SER 23 HB3 SER 23 14.262 15.880 11.508
153 HG SER 23 HG SER 23 13.600 17.806 10.262
154 H LYS 24 H LYS 24 17.054 14.142 11.129
155 HA LYS 24 HA LYS 24 18.759 16.426 10.626
156 HB2 LYS 24 HB2 LYS 24 19.327 13.897 12.183
157 HB3 LYS 24 HB3 LYS 24 20.304 15.359 12.190
158 HG2 LYS 24 HG2 LYS 24 17.873 16.338 12.907
159 HG3 LYS 24 HG3 LYS 24 17.838 14.730 13.635
160 HD2 LYS 24 HD2 LYS 24 18.997 15.616 15.325
161 HD3 LYS 24 HD3 LYS 24 20.375 15.660 14.223
162 HE2 LYS 24 HE2 LYS 24 20.107 17.834 15.201
163 HE3 LYS 24 HE3 LYS 24 19.652 17.923 13.500
164 HZ1 LYS 24 HZ1 LYS 24 17.592 17.450 15.550
165 HZ2 LYS 24 HZ2 LYS 24 17.432 18.141 14.015
166 HZ3 LYS 24 HZ3 LYS 24 18.153 19.021 15.267
167 H ARG 25 H ARG 25 18.712 12.970 9.865
168 HA ARG 25 HA ARG 25 21.047 13.336 8.127
169 HB2 ARG 25 HB2 ARG 25 19.699 10.842 9.173
170 HB3 ARG 25 HB3 ARG 25 21.028 10.827 8.022
171 HG2 ARG 25 HG2 ARG 25 22.444 11.974 9.676
172 HG3 ARG 25 HG3 ARG 25 21.112 11.906 10.832
173 HD2 ARG 25 HD2 ARG 25 21.258 9.312 10.077
174 HD3 ARG 25 HD3 ARG 25 22.947 9.792 9.923
175 HE ARG 25 HE ARG 25 21.436 9.506 12.359
176 HH11 ARG 25 HH11 ARG 25 24.214 10.956 10.843
177 HH12 ARG 25 HH12 ARG 25 25.085 11.153 12.328
178 HH21 ARG 25 HH21 ARG 25 22.571 9.760 14.320
179 HH22 ARG 25 HH22 ARG 25 24.150 10.472 14.305
180 H LYS 26 H LYS 26 17.835 13.640 7.867
181 HA LYS 26 HA LYS 26 16.304 13.519 6.185
182 HB2 LYS 26 HB2 LYS 26 18.774 13.532 4.439
183 HB3 LYS 26 HB3 LYS 26 17.143 13.947 3.929
184 HG2 LYS 26 HG2 LYS 26 17.463 16.050 4.529
185 HG3 LYS 26 HG3 LYS 26 17.827 15.549 6.182
186 HD2 LYS 26 HD2 LYS 26 20.170 15.070 5.418
187 HD3 LYS 26 HD3 LYS 26 19.752 15.823 3.878
188 HE2 LYS 26 HE2 LYS 26 19.041 17.438 6.206
189 HE3 LYS 26 HE3 LYS 26 20.769 17.119 6.072
190 HZ1 LYS 26 HZ1 LYS 26 19.008 18.602 4.252
191 HZ2 LYS 26 HZ2 LYS 26 20.359 17.813 3.610
192 HZ3 LYS 26 HZ3 LYS 26 20.558 18.994 4.805
193 H VAL 27 H VAL 27 16.966 11.045 7.323
194 HA VAL 27 HA VAL 27 16.195 9.288 5.146
195 HB VAL 27 HB VAL 27 17.912 7.573 5.808
196 HG11 VAL 27 HG11 VAL 27 18.932 10.151 4.619
197 HG12 VAL 27 HG12 VAL 27 19.705 8.573 4.465
198 HG13 VAL 27 HG13 VAL 27 18.118 8.852 3.748
199 HG21 VAL 27 HG21 VAL 27 19.553 7.980 7.300
200 HG22 VAL 27 HG22 VAL 27 19.711 9.671 6.828
201 HG23 VAL 27 HG23 VAL 27 18.418 9.178 7.921
202 H CYS 28 H CYS 28 15.437 7.195 5.898
203 HA CYS 28 HA CYS 28 14.049 7.438 8.416
204 HB2 CYS 28 HB2 CYS 28 14.073 5.212 6.367
205 HB3 CYS 28 HB3 CYS 28 13.010 5.280 7.768
206 H VAL 29 H VAL 29 14.290 6.154 10.224
207 HA VAL 29 HA VAL 29 16.522 4.250 10.259
208 HB VAL 29 HB VAL 29 17.254 5.138 12.465
209 HG11 VAL 29 HG11 VAL 29 18.586 6.900 11.581
210 HG12 VAL 29 HG12 VAL 29 18.334 5.738 10.277
211 HG13 VAL 29 HG13 VAL 29 17.408 7.239 10.314
212 HG21 VAL 29 HG21 VAL 29 16.437 7.085 13.397
213 HG22 VAL 29 HG22 VAL 29 15.786 7.671 11.866
214 HG23 VAL 29 HG23 VAL 29 14.971 6.367 12.730
215 H LYS 30 H LYS 30 16.538 2.981 12.352
216 HA LYS 30 HA LYS 30 14.179 1.589 12.685
217 HB2 LYS 30 HB2 LYS 30 16.485 0.885 13.423
218 HB3 LYS 30 HB3 LYS 30 16.281 1.923 14.828
219 HG2 LYS 30 HG2 LYS 30 13.994 0.323 14.755
220 HG3 LYS 30 HG3 LYS 30 15.341 -0.754 14.379
221 HD2 LYS 30 HD2 LYS 30 16.357 -0.414 16.418
222 HD3 LYS 30 HD3 LYS 30 15.605 1.166 16.648
223 HE2 LYS 30 HE2 LYS 30 13.531 0.198 17.235
224 HE3 LYS 30 HE3 LYS 30 14.026 -1.393 16.659
225 HZ1 LYS 30 HZ1 LYS 30 14.041 -0.966 19.159
226 HZ2 LYS 30 HZ2 LYS 30 15.446 -0.068 18.882
227 HZ3 LYS 30 HZ3 LYS 30 15.402 -1.712 18.486
228 H GLY 31 H GLY 31 12.417 1.729 13.993
229 HA2 GLY 31 HA2 GLY 31 12.030 4.284 15.357
230 HA3 GLY 31 HA3 GLY 31 10.778 3.114 14.964
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.540 2.816 0.514
2 HA2 GLY 1 HA2 GLY 1 2.025 0.357 0.429
3 HA3 GLY 1 HA3 GLY 1 1.580 0.458 -1.268
4 H TYR 2 H TYR 2 4.115 -0.321 0.132
5 HA TYR 2 HA TYR 2 6.363 -0.090 -0.135
6 HB2 TYR 2 HB2 TYR 2 5.858 -0.454 -2.474
7 HB3 TYR 2 HB3 TYR 2 5.440 1.242 -2.688
8 HD1 TYR 2 HD1 TYR 2 8.350 -0.645 -1.274
9 HD2 TYR 2 HD2 TYR 2 7.000 2.427 -3.890
10 HE1 TYR 2 HE1 TYR 2 10.680 -0.156 -1.892
11 HE2 TYR 2 HE2 TYR 2 9.326 2.924 -4.516
12 HH TYR 2 HH TYR 2 11.459 2.376 -4.261
13 H CYS 3 H CYS 3 6.668 1.276 1.648
14 HA CYS 3 HA CYS 3 6.773 4.156 1.108
15 HB2 CYS 3 HB2 CYS 3 7.318 3.101 3.831
16 HB3 CYS 3 HB3 CYS 3 6.406 4.523 3.336
17 H ALA 4 H ALA 4 8.612 5.071 2.826
18 HA ALA 4 HA ALA 4 11.093 4.191 1.599
19 HB1 ALA 4 HB1 ALA 4 10.310 6.551 3.272
20 HB2 ALA 4 HB2 ALA 4 12.006 6.165 2.977
21 HB3 ALA 4 HB3 ALA 4 10.932 6.513 1.622
22 H THR 5 H THR 5 12.087 2.502 2.488
23 HA THR 5 HA THR 5 11.834 1.914 5.309
24 HB THR 5 HB THR 5 13.518 0.040 4.633
25 HG1 THR 5 HG1 THR 5 13.485 -0.405 2.406
26 HG21 THR 5 HG21 THR 5 11.633 -1.127 4.842
27 HG22 THR 5 HG22 THR 5 11.239 -0.757 3.163
28 HG23 THR 5 HG23 THR 5 10.677 0.303 4.456
29 H LYS 6 H LYS 6 13.970 1.154 6.407
30 HA LYS 6 HA LYS 6 15.504 3.327 7.053
31 HB2 LYS 6 HB2 LYS 6 16.928 1.874 8.212
32 HB3 LYS 6 HB3 LYS 6 15.400 1.005 8.156
33 HG2 LYS 6 HG2 LYS 6 16.228 -0.310 6.259
34 HG3 LYS 6 HG3 LYS 6 17.770 0.544 6.357
35 HD2 LYS 6 HD2 LYS 6 18.419 -1.089 7.738
36 HD3 LYS 6 HD3 LYS 6 17.367 -0.337 8.939
37 HE2 LYS 6 HE2 LYS 6 15.676 -1.871 8.611
38 HE3 LYS 6 HE3 LYS 6 16.212 -2.269 6.980
39 HZ1 LYS 6 HZ1 LYS 6 18.297 -3.123 8.343
40 HZ2 LYS 6 HZ2 LYS 6 16.949 -4.102 8.049
41 HZ3 LYS 6 HZ3 LYS 6 17.119 -3.324 9.542
42 H GLY 7 H GLY 7 17.308 4.321 6.298
43 HA2 GLY 7 HA2 GLY 7 19.264 4.558 5.016
44 HA3 GLY 7 HA3 GLY 7 18.837 3.098 4.136
45 H ILE 8 H ILE 8 16.031 4.388 3.911
46 HA ILE 8 HA ILE 8 16.603 5.704 1.382
47 HB ILE 8 HB ILE 8 13.903 5.103 2.588
48 HG12 ILE 8 HG12 ILE 8 15.270 3.051 2.332
49 HG13 ILE 8 HG13 ILE 8 13.884 3.074 1.248
50 HG21 ILE 8 HG21 ILE 8 14.851 5.969 -0.118
51 HG22 ILE 8 HG22 ILE 8 13.327 5.104 0.078
52 HG23 ILE 8 HG23 ILE 8 13.572 6.653 0.886
53 HD11 ILE 8 HD11 ILE 8 16.084 4.242 -0.106
54 HD12 ILE 8 HD12 ILE 8 16.612 2.721 0.615
55 HD13 ILE 8 HD13 ILE 8 15.224 2.747 -0.473
56 H LYS 9 H LYS 9 16.460 7.829 1.018
57 HA LYS 9 HA LYS 9 16.441 9.721 3.024
58 HB2 LYS 9 HB2 LYS 9 15.551 10.107 0.160
59 HB3 LYS 9 HB3 LYS 9 16.039 11.387 1.262
60 HG2 LYS 9 HG2 LYS 9 17.913 9.143 0.647
61 HG3 LYS 9 HG3 LYS 9 17.723 10.486 -0.483
62 HD2 LYS 9 HD2 LYS 9 18.009 11.776 1.916
63 HD3 LYS 9 HD3 LYS 9 19.074 10.383 2.111
64 HE2 LYS 9 HE2 LYS 9 20.356 12.178 1.185
65 HE3 LYS 9 HE3 LYS 9 20.121 10.966 -0.074
66 HZ1 LYS 9 HZ1 LYS 9 18.004 12.793 -0.201
67 HZ2 LYS 9 HZ2 LYS 9 19.216 12.513 -1.347
68 HZ3 LYS 9 HZ3 LYS 9 19.445 13.677 -0.141
69 H CYS 10 H CYS 10 14.926 10.985 4.014
70 HA CYS 10 HA CYS 10 12.105 10.389 3.403
71 HB2 CYS 10 HB2 CYS 10 11.561 10.291 5.670
72 HB3 CYS 10 HB3 CYS 10 13.117 9.468 5.606
73 H ASN 11 H ASN 11 14.160 12.634 2.783
74 HA ASN 11 HA ASN 11 13.333 14.992 4.043
75 HB2 ASN 11 HB2 ASN 11 15.378 14.835 2.687
76 HB3 ASN 11 HB3 ASN 11 14.403 14.637 1.234
77 HD21 ASN 11 HD21 ASN 11 15.242 16.464 0.267
78 HD22 ASN 11 HD22 ASN 11 14.842 18.060 0.793
79 H ASP 12 H ASP 12 11.777 13.046 1.690
80 HA ASP 12 HA ASP 12 9.612 15.015 1.511
81 HB2 ASP 12 HB2 ASP 12 11.180 14.941 -0.565
82 HB3 ASP 12 HB3 ASP 12 10.373 13.414 -0.913
83 H ILE 13 H ILE 13 10.528 11.697 0.583
84 HA ILE 13 HA ILE 13 7.837 10.740 0.759
85 HB ILE 13 HB ILE 13 9.560 9.726 -0.730
86 HG12 ILE 13 HG12 ILE 13 8.746 7.500 1.055
87 HG13 ILE 13 HG13 ILE 13 7.457 8.548 0.473
88 HG21 ILE 13 HG21 ILE 13 10.650 8.503 1.799
89 HG22 ILE 13 HG22 ILE 13 11.241 8.264 0.156
90 HG23 ILE 13 HG23 ILE 13 11.408 9.838 0.931
91 HD11 ILE 13 HD11 ILE 13 7.587 7.752 -1.617
92 HD12 ILE 13 HD12 ILE 13 9.347 7.635 -1.578
93 HD13 ILE 13 HD13 ILE 13 8.362 6.375 -0.834
94 H HIS 14 H HIS 14 6.901 9.449 2.326
95 HA HIS 14 HA HIS 14 8.115 9.663 4.976
96 HB2 HIS 14 HB2 HIS 14 5.862 8.995 5.795
97 HB3 HIS 14 HB3 HIS 14 5.834 10.456 4.812
98 HD1 HIS 14 HD1 HIS 14 4.025 10.491 3.138
99 HD2 HIS 14 HD2 HIS 14 5.179 6.610 4.071
100 HE1 HIS 14 HE1 HIS 14 2.490 8.998 1.820
101 H CYS 15 H CYS 15 8.178 7.854 6.417
102 HA CYS 15 HA CYS 15 8.809 5.376 5.026
103 HB2 CYS 15 HB2 CYS 15 9.069 5.695 7.989
104 HB3 CYS 15 HB3 CYS 15 10.081 4.787 6.870
105 H CYS 16 H CYS 16 8.003 3.322 5.740
106 HA CYS 16 HA CYS 16 5.209 3.265 6.077
107 HB2 CYS 16 HB2 CYS 16 7.394 1.265 5.980
108 HB3 CYS 16 HB3 CYS 16 5.907 0.752 6.772
109 H SER 17 H SER 17 3.964 2.422 7.834
110 HA SER 17 HA SER 17 4.417 3.595 10.284
111 HB2 SER 17 HB2 SER 17 2.633 2.220 11.152
112 HB3 SER 17 HB3 SER 17 2.241 2.638 9.484
113 HG SER 17 HG SER 17 3.119 0.177 10.540
114 H GLY 18 H GLY 18 6.118 3.309 11.570
115 HA2 GLY 18 HA2 GLY 18 6.822 1.581 13.307
116 HA3 GLY 18 HA3 GLY 18 7.174 0.576 11.909
117 H LEU 19 H LEU 19 8.008 3.250 10.573
118 HA LEU 19 HA LEU 19 10.725 3.260 11.710
119 HB2 LEU 19 HB2 LEU 19 9.782 3.763 8.894
120 HB3 LEU 19 HB3 LEU 19 11.434 4.040 9.444
121 HG LEU 19 HG LEU 19 10.067 1.353 9.509
122 HD11 LEU 19 HD11 LEU 19 12.001 2.447 7.471
123 HD12 LEU 19 HD12 LEU 19 10.282 2.155 7.206
124 HD13 LEU 19 HD13 LEU 19 11.366 0.802 7.531
125 HD21 LEU 19 HD21 LEU 19 12.139 0.458 10.078
126 HD22 LEU 19 HD22 LEU 19 12.044 1.925 11.054
127 HD23 LEU 19 HD23 LEU 19 13.012 1.907 9.579
128 H LYS 20 H LYS 20 11.880 5.266 11.724
129 HA LYS 20 HA LYS 20 10.089 7.586 11.968
130 HB2 LYS 20 HB2 LYS 20 12.740 6.946 13.258
131 HB3 LYS 20 HB3 LYS 20 12.015 8.547 13.325
132 HG2 LYS 20 HG2 LYS 20 10.614 6.070 14.291
133 HG3 LYS 20 HG3 LYS 20 11.625 7.081 15.326
134 HD2 LYS 20 HD2 LYS 20 9.828 8.339 15.710
135 HD3 LYS 20 HD3 LYS 20 9.908 8.855 14.023
136 HE2 LYS 20 HE2 LYS 20 7.782 8.042 14.050
137 HE3 LYS 20 HE3 LYS 20 8.641 6.554 13.655
138 HZ1 LYS 20 HZ1 LYS 20 8.139 5.648 15.626
139 HZ2 LYS 20 HZ2 LYS 20 6.907 6.805 15.678
140 HZ3 LYS 20 HZ3 LYS 20 8.367 7.088 16.484
141 H CYS 21 H CYS 21 10.682 9.587 11.088
142 HA CYS 21 HA CYS 21 12.462 9.373 8.781
143 HB2 CYS 21 HB2 CYS 21 10.316 10.248 8.226
144 HB3 CYS 21 HB3 CYS 21 10.354 11.382 9.572
145 H ASP 22 H ASP 22 14.501 9.566 9.655
146 HA ASP 22 HA ASP 22 15.304 11.388 11.615
147 HB2 ASP 22 HB2 ASP 22 16.544 9.355 10.462
148 HB3 ASP 22 HB3 ASP 22 17.204 10.627 9.438
149 H SER 23 H SER 23 14.768 13.490 11.409
150 HA SER 23 HA SER 23 14.875 14.892 8.919
151 HB2 SER 23 HB2 SER 23 13.265 15.566 10.607
152 HB3 SER 23 HB3 SER 23 14.559 15.893 11.759
153 HG SER 23 HG SER 23 14.183 17.844 10.926
154 H LYS 24 H LYS 24 17.201 14.025 11.200
155 HA LYS 24 HA LYS 24 18.939 16.302 10.763
156 HB2 LYS 24 HB2 LYS 24 19.179 13.752 12.341
157 HB3 LYS 24 HB3 LYS 24 20.567 14.803 12.091
158 HG2 LYS 24 HG2 LYS 24 19.505 16.602 13.241
159 HG3 LYS 24 HG3 LYS 24 17.976 15.723 13.313
160 HD2 LYS 24 HD2 LYS 24 18.885 15.447 15.447
161 HD3 LYS 24 HD3 LYS 24 19.292 13.943 14.617
162 HE2 LYS 24 HE2 LYS 24 21.251 14.613 15.754
163 HE3 LYS 24 HE3 LYS 24 21.516 15.007 14.056
164 HZ1 LYS 24 HZ1 LYS 24 22.062 17.013 14.820
165 HZ2 LYS 24 HZ2 LYS 24 21.362 16.749 16.336
166 HZ3 LYS 24 HZ3 LYS 24 20.404 17.267 15.042
167 H ARG 25 H ARG 25 18.816 12.878 9.861
168 HA ARG 25 HA ARG 25 21.095 13.289 8.060
169 HB2 ARG 25 HB2 ARG 25 19.739 10.741 8.962
170 HB3 ARG 25 HB3 ARG 25 21.123 10.820 7.880
171 HG2 ARG 25 HG2 ARG 25 21.704 12.297 10.253
172 HG3 ARG 25 HG3 ARG 25 21.115 10.692 10.688
173 HD2 ARG 25 HD2 ARG 25 22.757 9.773 9.001
174 HD3 ARG 25 HD3 ARG 25 23.443 11.395 8.916
175 HE ARG 25 HE ARG 25 23.280 10.463 11.601
176 HH11 ARG 25 HH11 ARG 25 25.136 10.204 8.667
177 HH12 ARG 25 HH12 ARG 25 26.607 9.784 9.481
178 HH21 ARG 25 HH21 ARG 25 25.210 9.912 12.684
179 HH22 ARG 25 HH22 ARG 25 26.648 9.618 11.765
180 H LYS 26 H LYS 26 17.881 13.645 7.920
181 HA LYS 26 HA LYS 26 16.288 13.589 6.292
182 HB2 LYS 26 HB2 LYS 26 18.733 13.752 4.520
183 HB3 LYS 26 HB3 LYS 26 17.085 14.083 4.004
184 HG2 LYS 26 HG2 LYS 26 18.164 15.602 6.318
185 HG3 LYS 26 HG3 LYS 26 18.733 16.014 4.699
186 HD2 LYS 26 HD2 LYS 26 16.611 16.646 3.980
187 HD3 LYS 26 HD3 LYS 26 15.803 15.744 5.264
188 HE2 LYS 26 HE2 LYS 26 16.099 17.398 6.797
189 HE3 LYS 26 HE3 LYS 26 17.625 17.928 6.091
190 HZ1 LYS 26 HZ1 LYS 26 16.188 18.772 4.183
191 HZ2 LYS 26 HZ2 LYS 26 16.144 19.643 5.633
192 HZ3 LYS 26 HZ3 LYS 26 14.877 18.594 5.237
193 H VAL 27 H VAL 27 16.852 11.081 7.270
194 HA VAL 27 HA VAL 27 16.147 9.439 4.979
195 HB VAL 27 HB VAL 27 17.780 7.650 5.692
196 HG11 VAL 27 HG11 VAL 27 19.681 8.673 4.485
197 HG12 VAL 27 HG12 VAL 27 18.137 8.916 3.667
198 HG13 VAL 27 HG13 VAL 27 18.869 10.235 4.583
199 HG21 VAL 27 HG21 VAL 27 19.529 9.730 6.862
200 HG22 VAL 27 HG22 VAL 27 18.214 9.135 7.875
201 HG23 VAL 27 HG23 VAL 27 19.408 8.009 7.231
202 H CYS 28 H CYS 28 15.448 7.239 5.657
203 HA CYS 28 HA CYS 28 13.834 7.447 8.050
204 HB2 CYS 28 HB2 CYS 28 14.030 5.323 5.908
205 HB3 CYS 28 HB3 CYS 28 12.930 5.232 7.279
206 H VAL 29 H VAL 29 13.967 6.159 9.859
207 HA VAL 29 HA VAL 29 16.145 4.210 10.024
208 HB VAL 29 HB VAL 29 16.757 5.139 12.293
209 HG11 VAL 29 HG11 VAL 29 17.351 7.167 10.178
210 HG12 VAL 29 HG12 VAL 29 18.417 6.485 11.408
211 HG13 VAL 29 HG13 VAL 29 17.944 5.515 10.013
212 HG21 VAL 29 HG21 VAL 29 15.199 7.510 11.268
213 HG22 VAL 29 HG22 VAL 29 14.808 6.525 12.677
214 HG23 VAL 29 HG23 VAL 29 16.260 7.525 12.677
215 H LYS 30 H LYS 30 16.061 3.176 12.339
216 HA LYS 30 HA LYS 30 13.430 2.059 12.607
217 HB2 LYS 30 HB2 LYS 30 15.800 0.958 12.952
218 HB3 LYS 30 HB3 LYS 30 15.605 1.551 14.596
219 HG2 LYS 30 HG2 LYS 30 13.886 0.116 15.060
220 HG3 LYS 30 HG3 LYS 30 13.384 -0.004 13.372
221 HD2 LYS 30 HD2 LYS 30 15.201 -1.450 12.851
222 HD3 LYS 30 HD3 LYS 30 15.971 -1.148 14.411
223 HE2 LYS 30 HE2 LYS 30 14.521 -2.515 15.543
224 HE3 LYS 30 HE3 LYS 30 13.216 -2.272 14.383
225 HZ1 LYS 30 HZ1 LYS 30 15.212 -3.530 12.977
226 HZ2 LYS 30 HZ2 LYS 30 13.775 -4.228 13.533
227 HZ3 LYS 30 HZ3 LYS 30 15.181 -4.325 14.470
228 H GLY 31 H GLY 31 11.898 2.505 14.085
229 HA2 GLY 31 HA2 GLY 31 12.347 4.793 15.832
230 HA3 GLY 31 HA3 GLY 31 10.800 4.038 15.479
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.757 -1.292 -3.035
2 HA2 GLY 1 HA2 GLY 1 1.785 1.195 -1.449
3 HA3 GLY 1 HA3 GLY 1 1.381 -0.394 -0.816
4 H TYR 2 H TYR 2 3.779 1.916 -1.088
5 HA TYR 2 HA TYR 2 5.684 0.249 0.258
6 HB2 TYR 2 HB2 TYR 2 5.907 -0.149 -2.322
7 HB3 TYR 2 HB3 TYR 2 6.715 1.415 -2.303
8 HD1 TYR 2 HD1 TYR 2 6.792 -1.773 -0.341
9 HD2 TYR 2 HD2 TYR 2 9.010 1.369 -2.162
10 HE1 TYR 2 HE1 TYR 2 8.888 -2.870 0.332
11 HE2 TYR 2 HE2 TYR 2 11.112 0.279 -1.496
12 HH TYR 2 HH TYR 2 11.944 -1.893 -0.875
13 H CYS 3 H CYS 3 6.483 1.524 1.777
14 HA CYS 3 HA CYS 3 6.610 4.414 1.299
15 HB2 CYS 3 HB2 CYS 3 7.171 3.294 3.992
16 HB3 CYS 3 HB3 CYS 3 6.269 4.736 3.538
17 H ALA 4 H ALA 4 8.476 5.271 3.021
18 HA ALA 4 HA ALA 4 10.935 4.404 1.746
19 HB1 ALA 4 HB1 ALA 4 10.141 6.737 3.429
20 HB2 ALA 4 HB2 ALA 4 11.847 6.326 3.255
21 HB3 ALA 4 HB3 ALA 4 10.882 6.704 1.829
22 H THR 5 H THR 5 11.891 2.658 2.573
23 HA THR 5 HA THR 5 11.679 2.006 5.383
24 HB THR 5 HB THR 5 13.307 0.113 4.632
25 HG1 THR 5 HG1 THR 5 13.403 -0.223 2.449
26 HG21 THR 5 HG21 THR 5 10.996 -0.605 3.178
27 HG22 THR 5 HG22 THR 5 10.467 0.448 4.491
28 HG23 THR 5 HG23 THR 5 11.395 -1.009 4.847
29 H LYS 6 H LYS 6 13.789 1.212 6.461
30 HA LYS 6 HA LYS 6 15.394 3.337 7.092
31 HB2 LYS 6 HB2 LYS 6 16.779 1.844 8.244
32 HB3 LYS 6 HB3 LYS 6 15.225 1.022 8.200
33 HG2 LYS 6 HG2 LYS 6 16.002 -0.321 6.300
34 HG3 LYS 6 HG3 LYS 6 17.569 0.485 6.387
35 HD2 LYS 6 HD2 LYS 6 18.250 -0.863 8.025
36 HD3 LYS 6 HD3 LYS 6 16.791 -0.550 8.968
37 HE2 LYS 6 HE2 LYS 6 15.797 -2.170 7.051
38 HE3 LYS 6 HE3 LYS 6 17.445 -2.786 7.160
39 HZ1 LYS 6 HZ1 LYS 6 16.761 -2.569 9.746
40 HZ2 LYS 6 HZ2 LYS 6 16.618 -3.989 8.838
41 HZ3 LYS 6 HZ3 LYS 6 15.274 -2.984 9.055
42 H GLY 7 H GLY 7 17.221 4.276 6.320
43 HA2 GLY 7 HA2 GLY 7 19.157 4.482 5.017
44 HA3 GLY 7 HA3 GLY 7 18.724 3.000 4.178
45 H ILE 8 H ILE 8 15.924 4.409 3.994
46 HA ILE 8 HA ILE 8 16.497 5.605 1.397
47 HB ILE 8 HB ILE 8 13.802 5.071 2.646
48 HG12 ILE 8 HG12 ILE 8 15.149 3.000 2.401
49 HG13 ILE 8 HG13 ILE 8 13.737 3.019 1.350
50 HG21 ILE 8 HG21 ILE 8 14.735 6.078 0.023
51 HG22 ILE 8 HG22 ILE 8 13.365 4.969 0.021
52 HG23 ILE 8 HG23 ILE 8 13.280 6.473 0.938
53 HD11 ILE 8 HD11 ILE 8 15.025 2.669 -0.407
54 HD12 ILE 8 HD12 ILE 8 15.938 4.138 -0.061
55 HD13 ILE 8 HD13 ILE 8 16.433 2.604 0.654
56 H LYS 9 H LYS 9 16.481 7.723 1.023
57 HA LYS 9 HA LYS 9 16.441 9.654 2.991
58 HB2 LYS 9 HB2 LYS 9 15.736 9.953 0.066
59 HB3 LYS 9 HB3 LYS 9 16.089 11.291 1.151
60 HG2 LYS 9 HG2 LYS 9 18.175 9.279 1.190
61 HG3 LYS 9 HG3 LYS 9 17.898 9.931 -0.427
62 HD2 LYS 9 HD2 LYS 9 17.955 12.234 0.744
63 HD3 LYS 9 HD3 LYS 9 18.724 11.364 2.073
64 HE2 LYS 9 HE2 LYS 9 20.237 10.441 0.109
65 HE3 LYS 9 HE3 LYS 9 19.730 11.941 -0.666
66 HZ1 LYS 9 HZ1 LYS 9 21.854 11.905 0.781
67 HZ2 LYS 9 HZ2 LYS 9 20.778 12.001 2.082
68 HZ3 LYS 9 HZ3 LYS 9 20.791 13.216 0.906
69 H CYS 10 H CYS 10 14.928 10.973 3.905
70 HA CYS 10 HA CYS 10 12.117 10.475 3.172
71 HB2 CYS 10 HB2 CYS 10 11.469 10.503 5.447
72 HB3 CYS 10 HB3 CYS 10 12.896 9.474 5.385
73 H ASN 11 H ASN 11 14.107 12.603 2.417
74 HA ASN 11 HA ASN 11 13.586 15.023 3.681
75 HB2 ASN 11 HB2 ASN 11 14.531 14.223 0.976
76 HB3 ASN 11 HB3 ASN 11 13.989 15.886 1.180
77 HD21 ASN 11 HD21 ASN 11 14.818 16.603 3.593
78 HD22 ASN 11 HD22 ASN 11 16.538 16.496 3.728
79 H ASP 12 H ASP 12 11.610 13.158 1.548
80 HA ASP 12 HA ASP 12 9.484 15.149 1.813
81 HB2 ASP 12 HB2 ASP 12 10.783 15.210 -0.474
82 HB3 ASP 12 HB3 ASP 12 9.808 13.788 -0.832
83 H ILE 13 H ILE 13 10.362 11.885 0.739
84 HA ILE 13 HA ILE 13 7.690 10.880 0.957
85 HB ILE 13 HB ILE 13 9.420 9.904 -0.560
86 HG12 ILE 13 HG12 ILE 13 8.307 7.918 1.431
87 HG13 ILE 13 HG13 ILE 13 7.349 8.690 0.171
88 HG21 ILE 13 HG21 ILE 13 10.536 8.669 1.952
89 HG22 ILE 13 HG22 ILE 13 11.122 8.455 0.303
90 HG23 ILE 13 HG23 ILE 13 11.275 10.022 1.097
91 HD11 ILE 13 HD11 ILE 13 7.860 6.844 -0.986
92 HD12 ILE 13 HD12 ILE 13 9.382 7.682 -1.291
93 HD13 ILE 13 HD13 ILE 13 9.277 6.488 0.003
94 H HIS 14 H HIS 14 6.782 9.628 2.553
95 HA HIS 14 HA HIS 14 8.067 9.820 5.171
96 HB2 HIS 14 HB2 HIS 14 5.848 9.236 6.070
97 HB3 HIS 14 HB3 HIS 14 5.771 10.637 5.007
98 HD1 HIS 14 HD1 HIS 14 3.829 10.567 3.497
99 HD2 HIS 14 HD2 HIS 14 5.191 6.751 4.419
100 HE1 HIS 14 HE1 HIS 14 2.275 8.991 2.303
101 H CYS 15 H CYS 15 8.126 8.003 6.611
102 HA CYS 15 HA CYS 15 8.707 5.524 5.199
103 HB2 CYS 15 HB2 CYS 15 9.012 5.831 8.160
104 HB3 CYS 15 HB3 CYS 15 9.993 4.908 7.027
105 H CYS 16 H CYS 16 7.863 3.485 5.865
106 HA CYS 16 HA CYS 16 5.083 3.460 6.258
107 HB2 CYS 16 HB2 CYS 16 7.238 1.430 6.115
108 HB3 CYS 16 HB3 CYS 16 5.751 0.931 6.916
109 H SER 17 H SER 17 3.846 2.638 8.023
110 HA SER 17 HA SER 17 4.363 3.771 10.480
111 HB2 SER 17 HB2 SER 17 2.800 1.217 10.364
112 HB3 SER 17 HB3 SER 17 2.452 2.701 11.252
113 HG SER 17 HG SER 17 1.361 2.021 9.042
114 H GLY 18 H GLY 18 6.124 3.434 11.679
115 HA2 GLY 18 HA2 GLY 18 6.802 1.675 13.410
116 HA3 GLY 18 HA3 GLY 18 7.090 0.667 12.000
117 H LEU 19 H LEU 19 7.954 3.379 10.702
118 HA LEU 19 HA LEU 19 10.698 3.298 11.774
119 HB2 LEU 19 HB2 LEU 19 9.726 3.785 8.965
120 HB3 LEU 19 HB3 LEU 19 11.390 4.041 9.486
121 HG LEU 19 HG LEU 19 9.977 1.380 9.605
122 HD11 LEU 19 HD11 LEU 19 10.182 2.146 7.290
123 HD12 LEU 19 HD12 LEU 19 11.249 0.782 7.621
124 HD13 LEU 19 HD13 LEU 19 11.908 2.415 7.533
125 HD21 LEU 19 HD21 LEU 19 12.060 0.454 10.131
126 HD22 LEU 19 HD22 LEU 19 11.961 1.903 11.133
127 HD23 LEU 19 HD23 LEU 19 12.930 1.914 9.659
128 H LYS 20 H LYS 20 11.882 5.259 11.836
129 HA LYS 20 HA LYS 20 10.159 7.634 12.021
130 HB2 LYS 20 HB2 LYS 20 12.819 7.014 13.316
131 HB3 LYS 20 HB3 LYS 20 11.994 8.562 13.447
132 HG2 LYS 20 HG2 LYS 20 10.594 6.047 14.245
133 HG3 LYS 20 HG3 LYS 20 11.749 6.814 15.339
134 HD2 LYS 20 HD2 LYS 20 10.464 8.772 15.499
135 HD3 LYS 20 HD3 LYS 20 9.508 8.363 14.072
136 HE2 LYS 20 HE2 LYS 20 8.004 7.326 15.336
137 HE3 LYS 20 HE3 LYS 20 9.251 6.279 16.013
138 HZ1 LYS 20 HZ1 LYS 20 8.405 7.357 17.855
139 HZ2 LYS 20 HZ2 LYS 20 8.220 8.836 17.055
140 HZ3 LYS 20 HZ3 LYS 20 9.764 8.298 17.492
141 H CYS 21 H CYS 21 10.758 9.574 11.068
142 HA CYS 21 HA CYS 21 12.628 9.301 8.840
143 HB2 CYS 21 HB2 CYS 21 10.523 10.149 8.149
144 HB3 CYS 21 HB3 CYS 21 10.459 11.292 9.486
145 H ASP 22 H ASP 22 14.645 9.571 9.703
146 HA ASP 22 HA ASP 22 15.360 11.449 11.662
147 HB2 ASP 22 HB2 ASP 22 16.654 9.388 10.626
148 HB3 ASP 22 HB3 ASP 22 17.339 10.627 9.578
149 H SER 23 H SER 23 14.860 13.545 11.385
150 HA SER 23 HA SER 23 14.996 14.870 8.859
151 HB2 SER 23 HB2 SER 23 14.820 16.935 10.544
152 HB3 SER 23 HB3 SER 23 13.431 15.914 10.172
153 HG SER 23 HG SER 23 13.371 15.507 12.222
154 H LYS 24 H LYS 24 17.310 14.049 11.167
155 HA LYS 24 HA LYS 24 19.070 16.295 10.675
156 HB2 LYS 24 HB2 LYS 24 19.434 13.729 12.227
157 HB3 LYS 24 HB3 LYS 24 20.672 14.971 12.089
158 HG2 LYS 24 HG2 LYS 24 18.354 16.300 12.920
159 HG3 LYS 24 HG3 LYS 24 18.434 14.818 13.874
160 HD2 LYS 24 HD2 LYS 24 19.630 16.487 15.076
161 HD3 LYS 24 HD3 LYS 24 20.829 15.396 14.379
162 HE2 LYS 24 HE2 LYS 24 21.817 17.226 13.571
163 HE3 LYS 24 HE3 LYS 24 20.486 17.302 12.417
164 HZ1 LYS 24 HZ1 LYS 24 19.320 18.570 14.340
165 HZ2 LYS 24 HZ2 LYS 24 20.421 19.381 13.343
166 HZ3 LYS 24 HZ3 LYS 24 20.900 18.853 14.877
167 H ARG 25 H ARG 25 18.904 12.859 9.835
168 HA ARG 25 HA ARG 25 21.190 13.207 8.029
169 HB2 ARG 25 HB2 ARG 25 19.807 10.627 8.768
170 HB3 ARG 25 HB3 ARG 25 21.369 10.816 7.983
171 HG2 ARG 25 HG2 ARG 25 21.533 12.227 10.404
172 HG3 ARG 25 HG3 ARG 25 20.745 10.691 10.770
173 HD2 ARG 25 HD2 ARG 25 23.116 10.605 8.997
174 HD3 ARG 25 HD3 ARG 25 23.400 10.982 10.695
175 HE ARG 25 HE ARG 25 21.720 8.718 10.449
176 HH11 ARG 25 HH11 ARG 25 25.033 9.729 10.098
177 HH12 ARG 25 HH12 ARG 25 25.685 8.160 10.438
178 HH21 ARG 25 HH21 ARG 25 22.566 6.647 10.898
179 HH22 ARG 25 HH22 ARG 25 24.281 6.408 10.892
180 H LYS 26 H LYS 26 17.982 13.603 7.881
181 HA LYS 26 HA LYS 26 16.391 13.549 6.250
182 HB2 LYS 26 HB2 LYS 26 18.755 13.524 4.368
183 HB3 LYS 26 HB3 LYS 26 17.129 14.097 4.018
184 HG2 LYS 26 HG2 LYS 26 17.387 15.984 5.406
185 HG3 LYS 26 HG3 LYS 26 18.854 15.335 6.142
186 HD2 LYS 26 HD2 LYS 26 19.773 15.385 3.707
187 HD3 LYS 26 HD3 LYS 26 18.462 16.534 3.429
188 HE2 LYS 26 HE2 LYS 26 19.962 17.106 5.854
189 HE3 LYS 26 HE3 LYS 26 20.976 17.122 4.412
190 HZ1 LYS 26 HZ1 LYS 26 18.425 18.618 4.627
191 HZ2 LYS 26 HZ2 LYS 26 19.601 18.758 3.420
192 HZ3 LYS 26 HZ3 LYS 26 19.933 19.294 4.989
193 H VAL 27 H VAL 27 16.990 11.040 7.296
194 HA VAL 27 HA VAL 27 16.171 9.359 5.074
195 HB VAL 27 HB VAL 27 17.828 7.578 5.708
196 HG11 VAL 27 HG11 VAL 27 19.689 8.589 4.436
197 HG12 VAL 27 HG12 VAL 27 18.117 8.858 3.679
198 HG13 VAL 27 HG13 VAL 27 18.900 10.160 4.577
199 HG21 VAL 27 HG21 VAL 27 19.485 7.902 7.210
200 HG22 VAL 27 HG22 VAL 27 19.662 9.611 6.810
201 HG23 VAL 27 HG23 VAL 27 18.356 9.084 7.873
202 H CYS 28 H CYS 28 15.440 7.209 5.805
203 HA CYS 28 HA CYS 28 13.975 7.459 8.283
204 HB2 CYS 28 HB2 CYS 28 14.038 5.282 6.185
205 HB3 CYS 28 HB3 CYS 28 12.986 5.265 7.597
206 H VAL 29 H VAL 29 14.241 6.273 10.125
207 HA VAL 29 HA VAL 29 16.438 4.323 10.198
208 HB VAL 29 HB VAL 29 17.027 5.241 12.489
209 HG11 VAL 29 HG11 VAL 29 18.508 5.572 10.631
210 HG12 VAL 29 HG12 VAL 29 17.526 6.908 10.027
211 HG13 VAL 29 HG13 VAL 29 18.413 7.079 11.542
212 HG21 VAL 29 HG21 VAL 29 16.321 7.348 13.168
213 HG22 VAL 29 HG22 VAL 29 15.778 7.798 11.551
214 HG23 VAL 29 HG23 VAL 29 14.851 6.637 12.501
215 H LYS 30 H LYS 30 16.411 3.063 12.296
216 HA LYS 30 HA LYS 30 13.802 1.960 12.660
217 HB2 LYS 30 HB2 LYS 30 16.085 0.763 12.777
218 HB3 LYS 30 HB3 LYS 30 16.170 1.379 14.422
219 HG2 LYS 30 HG2 LYS 30 13.846 0.280 14.700
220 HG3 LYS 30 HG3 LYS 30 14.290 -0.627 13.252
221 HD2 LYS 30 HD2 LYS 30 16.529 -0.732 14.934
222 HD3 LYS 30 HD3 LYS 30 15.132 -1.008 15.978
223 HE2 LYS 30 HE2 LYS 30 14.642 -2.992 15.015
224 HE3 LYS 30 HE3 LYS 30 15.118 -2.449 13.407
225 HZ1 LYS 30 HZ1 LYS 30 17.129 -3.329 13.653
226 HZ2 LYS 30 HZ2 LYS 30 16.533 -4.132 15.017
227 HZ3 LYS 30 HZ3 LYS 30 17.343 -2.657 15.190
228 H GLY 31 H GLY 31 12.303 2.443 14.136
229 HA2 GLY 31 HA2 GLY 31 12.893 3.351 16.761
230 HA3 GLY 31 HA3 GLY 31 12.410 4.701 15.746
Start of MODEL 16
1 H1 GLY 1 H GLY 1 0.346 0.021 -1.088
2 HA2 GLY 1 HA2 GLY 1 1.402 1.911 -0.074
3 HA3 GLY 1 HA3 GLY 1 2.008 0.517 0.807
4 H TYR 2 H TYR 2 4.093 -0.317 0.275
5 HA TYR 2 HA TYR 2 6.327 -0.050 -0.074
6 HB2 TYR 2 HB2 TYR 2 5.751 -0.407 -2.386
7 HB3 TYR 2 HB3 TYR 2 5.253 1.271 -2.572
8 HD1 TYR 2 HD1 TYR 2 8.314 -0.338 -1.144
9 HD2 TYR 2 HD2 TYR 2 6.693 2.364 -4.003
10 HE1 TYR 2 HE1 TYR 2 10.589 0.249 -1.870
11 HE2 TYR 2 HE2 TYR 2 8.964 2.958 -4.738
12 HH TYR 2 HH TYR 2 11.204 2.890 -4.032
13 H CYS 3 H CYS 3 6.625 1.320 1.731
14 HA CYS 3 HA CYS 3 6.731 4.198 1.181
15 HB2 CYS 3 HB2 CYS 3 7.300 3.150 3.901
16 HB3 CYS 3 HB3 CYS 3 6.388 4.574 3.411
17 H ALA 4 H ALA 4 8.590 5.110 2.884
18 HA ALA 4 HA ALA 4 11.056 4.223 1.633
19 HB1 ALA 4 HB1 ALA 4 10.294 6.587 3.308
20 HB2 ALA 4 HB2 ALA 4 11.987 6.196 3.002
21 HB3 ALA 4 HB3 ALA 4 10.905 6.544 1.654
22 H THR 5 H THR 5 12.048 2.528 2.515
23 HA THR 5 HA THR 5 11.824 1.947 5.339
24 HB THR 5 HB THR 5 13.493 0.065 4.651
25 HG1 THR 5 HG1 THR 5 12.409 0.460 2.086
26 HG21 THR 5 HG21 THR 5 11.198 -0.725 3.202
27 HG22 THR 5 HG22 THR 5 10.650 0.341 4.496
28 HG23 THR 5 HG23 THR 5 11.604 -1.092 4.878
29 H LYS 6 H LYS 6 13.975 1.173 6.408
30 HA LYS 6 HA LYS 6 15.522 3.341 7.041
31 HB2 LYS 6 HB2 LYS 6 16.957 1.881 8.177
32 HB3 LYS 6 HB3 LYS 6 15.426 1.017 8.140
33 HG2 LYS 6 HG2 LYS 6 16.228 -0.294 6.226
34 HG3 LYS 6 HG3 LYS 6 17.774 0.554 6.311
35 HD2 LYS 6 HD2 LYS 6 18.367 -0.465 8.310
36 HD3 LYS 6 HD3 LYS 6 16.696 -0.857 8.721
37 HE2 LYS 6 HE2 LYS 6 17.505 -2.111 6.242
38 HE3 LYS 6 HE3 LYS 6 18.583 -2.548 7.567
39 HZ1 LYS 6 HZ1 LYS 6 16.795 -3.403 8.810
40 HZ2 LYS 6 HZ2 LYS 6 16.588 -4.012 7.245
41 HZ3 LYS 6 HZ3 LYS 6 15.634 -2.722 7.783
42 H GLY 7 H GLY 7 17.318 4.334 6.265
43 HA2 GLY 7 HA2 GLY 7 19.258 4.570 4.960
44 HA3 GLY 7 HA3 GLY 7 18.817 3.113 4.081
45 H ILE 8 H ILE 8 16.011 4.412 3.898
46 HA ILE 8 HA ILE 8 16.553 5.731 1.363
47 HB ILE 8 HB ILE 8 13.867 5.139 2.605
48 HG12 ILE 8 HG12 ILE 8 15.229 3.083 2.328
49 HG13 ILE 8 HG13 ILE 8 13.821 3.109 1.272
50 HG21 ILE 8 HG21 ILE 8 13.818 6.810 0.836
51 HG22 ILE 8 HG22 ILE 8 14.686 5.715 -0.239
52 HG23 ILE 8 HG23 ILE 8 13.056 5.313 0.300
53 HD11 ILE 8 HD11 ILE 8 16.649 3.746 0.467
54 HD12 ILE 8 HD12 ILE 8 15.767 2.261 0.109
55 HD13 ILE 8 HD13 ILE 8 15.241 3.790 -0.594
56 H LYS 9 H LYS 9 16.422 7.857 1.009
57 HA LYS 9 HA LYS 9 16.434 9.745 3.019
58 HB2 LYS 9 HB2 LYS 9 15.461 10.199 0.193
59 HB3 LYS 9 HB3 LYS 9 16.096 11.417 1.290
60 HG2 LYS 9 HG2 LYS 9 17.979 9.264 0.963
61 HG3 LYS 9 HG3 LYS 9 17.510 9.938 -0.599
62 HD2 LYS 9 HD2 LYS 9 18.139 11.847 1.585
63 HD3 LYS 9 HD3 LYS 9 19.485 10.964 0.862
64 HE2 LYS 9 HE2 LYS 9 17.493 12.248 -0.939
65 HE3 LYS 9 HE3 LYS 9 18.663 13.276 -0.114
66 HZ1 LYS 9 HZ1 LYS 9 20.447 12.128 -1.123
67 HZ2 LYS 9 HZ2 LYS 9 19.345 12.463 -2.362
68 HZ3 LYS 9 HZ3 LYS 9 19.440 10.904 -1.713
69 H CYS 10 H CYS 10 14.937 11.004 4.037
70 HA CYS 10 HA CYS 10 12.106 10.424 3.456
71 HB2 CYS 10 HB2 CYS 10 11.590 10.326 5.730
72 HB3 CYS 10 HB3 CYS 10 13.142 9.499 5.646
73 H ASN 11 H ASN 11 14.164 12.662 2.814
74 HA ASN 11 HA ASN 11 13.342 15.021 4.086
75 HB2 ASN 11 HB2 ASN 11 15.378 15.024 2.821
76 HB3 ASN 11 HB3 ASN 11 14.535 14.544 1.351
77 HD21 ASN 11 HD21 ASN 11 14.233 17.082 3.818
78 HD22 ASN 11 HD22 ASN 11 14.052 18.384 2.696
79 H ASP 12 H ASP 12 11.780 13.074 1.746
80 HA ASP 12 HA ASP 12 9.629 15.057 1.546
81 HB2 ASP 12 HB2 ASP 12 9.379 14.151 -0.902
82 HB3 ASP 12 HB3 ASP 12 10.539 15.429 -0.550
83 H ILE 13 H ILE 13 10.518 11.728 0.623
84 HA ILE 13 HA ILE 13 7.820 10.792 0.818
85 HB ILE 13 HB ILE 13 9.521 9.763 -0.684
86 HG12 ILE 13 HG12 ILE 13 8.747 7.518 1.074
87 HG13 ILE 13 HG13 ILE 13 7.435 8.591 0.600
88 HG21 ILE 13 HG21 ILE 13 11.385 9.870 0.962
89 HG22 ILE 13 HG22 ILE 13 10.630 8.538 1.835
90 HG23 ILE 13 HG23 ILE 13 11.206 8.297 0.186
91 HD11 ILE 13 HD11 ILE 13 9.261 7.621 -1.521
92 HD12 ILE 13 HD12 ILE 13 8.104 6.483 -0.830
93 HD13 ILE 13 HD13 ILE 13 7.534 7.973 -1.581
94 H HIS 14 H HIS 14 6.890 9.497 2.388
95 HA HIS 14 HA HIS 14 8.117 9.712 5.032
96 HB2 HIS 14 HB2 HIS 14 5.327 8.780 4.341
97 HB3 HIS 14 HB3 HIS 14 5.928 9.253 5.927
98 HD1 HIS 14 HD1 HIS 14 4.075 10.540 3.147
99 HD2 HIS 14 HD2 HIS 14 6.733 12.141 5.910
100 HE1 HIS 14 HE1 HIS 14 3.690 13.024 3.089
101 H CYS 15 H CYS 15 8.200 7.907 6.471
102 HA CYS 15 HA CYS 15 8.809 5.424 5.078
103 HB2 CYS 15 HB2 CYS 15 9.105 5.752 8.037
104 HB3 CYS 15 HB3 CYS 15 10.100 4.836 6.910
105 H CYS 16 H CYS 16 8.002 3.376 5.795
106 HA CYS 16 HA CYS 16 5.215 3.325 6.168
107 HB2 CYS 16 HB2 CYS 16 7.394 1.320 6.051
108 HB3 CYS 16 HB3 CYS 16 5.915 0.812 6.859
109 H SER 17 H SER 17 3.986 2.495 7.940
110 HA SER 17 HA SER 17 4.475 3.668 10.383
111 HB2 SER 17 HB2 SER 17 2.760 1.333 9.578
112 HB3 SER 17 HB3 SER 17 2.851 1.842 11.264
113 HG SER 17 HG SER 17 1.548 2.995 9.164
114 H GLY 18 H GLY 18 6.172 3.370 11.669
115 HA2 GLY 18 HA2 GLY 18 6.887 1.635 13.392
116 HA3 GLY 18 HA3 GLY 18 7.223 0.632 11.989
117 H LEU 19 H LEU 19 8.067 3.281 10.634
118 HA LEU 19 HA LEU 19 10.790 3.285 11.755
119 HB2 LEU 19 HB2 LEU 19 9.824 3.802 8.950
120 HB3 LEU 19 HB3 LEU 19 11.482 4.068 9.485
121 HG LEU 19 HG LEU 19 10.102 1.389 9.556
122 HD11 LEU 19 HD11 LEU 19 12.020 2.477 7.500
123 HD12 LEU 19 HD12 LEU 19 10.297 2.198 7.253
124 HD13 LEU 19 HD13 LEU 19 11.374 0.837 7.561
125 HD21 LEU 19 HD21 LEU 19 13.051 1.898 9.574
126 HD22 LEU 19 HD22 LEU 19 12.158 0.482 10.129
127 HD23 LEU 19 HD23 LEU 19 12.118 1.975 11.068
128 H LYS 20 H LYS 20 11.957 5.285 11.763
129 HA LYS 20 HA LYS 20 10.181 7.613 12.037
130 HB2 LYS 20 HB2 LYS 20 12.701 6.773 13.403
131 HB3 LYS 20 HB3 LYS 20 12.353 8.491 13.263
132 HG2 LYS 20 HG2 LYS 20 10.252 6.664 14.322
133 HG3 LYS 20 HG3 LYS 20 11.593 7.144 15.364
134 HD2 LYS 20 HD2 LYS 20 10.978 9.374 15.348
135 HD3 LYS 20 HD3 LYS 20 10.085 9.222 13.832
136 HE2 LYS 20 HE2 LYS 20 8.193 8.840 14.932
137 HE3 LYS 20 HE3 LYS 20 8.931 7.507 15.819
138 HZ1 LYS 20 HZ1 LYS 20 8.975 10.379 16.564
139 HZ2 LYS 20 HZ2 LYS 20 9.855 9.179 17.367
140 HZ3 LYS 20 HZ3 LYS 20 8.164 9.131 17.369
141 H CYS 21 H CYS 21 10.769 9.613 11.154
142 HA CYS 21 HA CYS 21 12.519 9.399 8.824
143 HB2 CYS 21 HB2 CYS 21 10.371 10.285 8.298
144 HB3 CYS 21 HB3 CYS 21 10.430 11.414 9.648
145 H ASP 22 H ASP 22 14.570 9.580 9.673
146 HA ASP 22 HA ASP 22 15.406 11.393 11.628
147 HB2 ASP 22 HB2 ASP 22 16.626 9.359 10.472
148 HB3 ASP 22 HB3 ASP 22 17.264 10.617 9.417
149 H SER 23 H SER 23 14.869 13.496 11.432
150 HA SER 23 HA SER 23 14.953 14.907 8.948
151 HB2 SER 23 HB2 SER 23 13.359 15.658 10.557
152 HB3 SER 23 HB3 SER 23 14.592 15.806 11.809
153 HG SER 23 HG SER 23 15.307 17.633 10.919
154 H LYS 24 H LYS 24 17.304 14.024 11.197
155 HA LYS 24 HA LYS 24 19.045 16.295 10.742
156 HB2 LYS 24 HB2 LYS 24 19.213 13.782 12.365
157 HB3 LYS 24 HB3 LYS 24 20.678 14.691 12.018
158 HG2 LYS 24 HG2 LYS 24 18.423 16.277 13.042
159 HG3 LYS 24 HG3 LYS 24 19.110 15.104 14.169
160 HD2 LYS 24 HD2 LYS 24 21.102 16.197 14.304
161 HD3 LYS 24 HD3 LYS 24 21.014 16.788 12.642
162 HE2 LYS 24 HE2 LYS 24 20.620 18.757 13.683
163 HE3 LYS 24 HE3 LYS 24 18.965 18.150 13.703
164 HZ1 LYS 24 HZ1 LYS 24 19.712 17.122 15.949
165 HZ2 LYS 24 HZ2 LYS 24 19.273 18.754 15.879
166 HZ3 LYS 24 HZ3 LYS 24 20.907 18.318 15.902
167 H ARG 25 H ARG 25 18.896 12.874 9.837
168 HA ARG 25 HA ARG 25 21.156 13.276 8.011
169 HB2 ARG 25 HB2 ARG 25 19.798 10.735 8.930
170 HB3 ARG 25 HB3 ARG 25 21.164 10.805 7.825
171 HG2 ARG 25 HG2 ARG 25 22.172 12.206 9.881
172 HG3 ARG 25 HG3 ARG 25 21.071 11.133 10.749
173 HD2 ARG 25 HD2 ARG 25 22.117 9.217 9.516
174 HD3 ARG 25 HD3 ARG 25 23.314 10.353 8.895
175 HE ARG 25 HE ARG 25 23.199 9.230 11.533
176 HH11 ARG 25 HH11 ARG 25 24.289 11.937 9.633
177 HH12 ARG 25 HH12 ARG 25 25.554 12.368 10.736
178 HH21 ARG 25 HH21 ARG 25 24.861 9.788 12.992
179 HH22 ARG 25 HH22 ARG 25 25.879 11.145 12.645
180 H LYS 26 H LYS 26 17.946 13.654 7.906
181 HA LYS 26 HA LYS 26 16.333 13.607 6.297
182 HB2 LYS 26 HB2 LYS 26 18.841 13.908 4.655
183 HB3 LYS 26 HB3 LYS 26 17.241 13.935 3.927
184 HG2 LYS 26 HG2 LYS 26 16.636 15.890 5.149
185 HG3 LYS 26 HG3 LYS 26 18.104 15.799 6.125
186 HD2 LYS 26 HD2 LYS 26 18.924 15.817 3.429
187 HD3 LYS 26 HD3 LYS 26 17.691 17.070 3.591
188 HE2 LYS 26 HE2 LYS 26 19.724 16.948 5.730
189 HE3 LYS 26 HE3 LYS 26 20.295 17.459 4.142
190 HZ1 LYS 26 HZ1 LYS 26 19.008 19.334 4.181
191 HZ2 LYS 26 HZ2 LYS 26 19.371 19.190 5.827
192 HZ3 LYS 26 HZ3 LYS 26 17.865 18.684 5.246
193 H VAL 27 H VAL 27 16.896 11.094 7.262
194 HA VAL 27 HA VAL 27 16.158 9.461 4.975
195 HB VAL 27 HB VAL 27 17.791 7.664 5.653
196 HG11 VAL 27 HG11 VAL 27 19.689 8.691 4.444
197 HG12 VAL 27 HG12 VAL 27 18.139 8.952 3.640
198 HG13 VAL 27 HG13 VAL 27 18.885 10.256 4.566
199 HG21 VAL 27 HG21 VAL 27 18.248 9.130 7.846
200 HG22 VAL 27 HG22 VAL 27 19.425 7.993 7.189
201 HG23 VAL 27 HG23 VAL 27 19.567 9.714 6.831
202 H CYS 28 H CYS 28 15.462 7.259 5.657
203 HA CYS 28 HA CYS 28 13.877 7.468 8.070
204 HB2 CYS 28 HB2 CYS 28 14.039 5.339 5.929
205 HB3 CYS 28 HB3 CYS 28 12.944 5.268 7.305
206 H VAL 29 H VAL 29 14.028 6.178 9.875
207 HA VAL 29 HA VAL 29 16.211 4.229 10.007
208 HB VAL 29 HB VAL 29 16.816 5.142 12.290
209 HG11 VAL 29 HG11 VAL 29 18.495 6.448 11.410
210 HG12 VAL 29 HG12 VAL 29 17.986 5.539 9.985
211 HG13 VAL 29 HG13 VAL 29 17.434 7.198 10.218
212 HG21 VAL 29 HG21 VAL 29 14.741 6.548 12.463
213 HG22 VAL 29 HG22 VAL 29 16.244 7.381 12.859
214 HG23 VAL 29 HG23 VAL 29 15.474 7.648 11.295
215 H LYS 30 H LYS 30 16.143 3.167 12.308
216 HA LYS 30 HA LYS 30 13.617 1.903 12.542
217 HB2 LYS 30 HB2 LYS 30 15.936 0.964 13.119
218 HB3 LYS 30 HB3 LYS 30 15.775 1.829 14.642
219 HG2 LYS 30 HG2 LYS 30 14.340 0.334 15.481
220 HG3 LYS 30 HG3 LYS 30 13.466 0.167 13.957
221 HD2 LYS 30 HD2 LYS 30 15.481 -1.163 13.138
222 HD3 LYS 30 HD3 LYS 30 15.990 -1.217 14.827
223 HE2 LYS 30 HE2 LYS 30 14.801 -3.184 14.626
224 HE3 LYS 30 HE3 LYS 30 13.573 -2.082 15.246
225 HZ1 LYS 30 HZ1 LYS 30 13.934 -2.594 12.352
226 HZ2 LYS 30 HZ2 LYS 30 12.617 -1.865 13.124
227 HZ3 LYS 30 HZ3 LYS 30 12.898 -3.522 13.316
228 H GLY 31 H GLY 31 11.957 2.197 13.948
229 HA2 GLY 31 HA2 GLY 31 12.116 3.653 16.364
230 HA3 GLY 31 HA3 GLY 31 11.515 4.706 15.091
Start of MODEL 17
1 H1 GLY 1 H GLY 1 2.149 -1.999 -0.273
2 HA2 GLY 1 HA2 GLY 1 3.211 -0.563 1.781
3 HA3 GLY 1 HA3 GLY 1 4.228 -1.995 1.720
4 H TYR 2 H TYR 2 4.402 1.039 0.960
5 HA TYR 2 HA TYR 2 6.324 0.660 -1.112
6 HB2 TYR 2 HB2 TYR 2 3.960 0.672 -2.236
7 HB3 TYR 2 HB3 TYR 2 4.043 2.409 -1.964
8 HD1 TYR 2 HD1 TYR 2 5.285 3.798 -3.403
9 HD2 TYR 2 HD2 TYR 2 5.781 -0.423 -3.614
10 HE1 TYR 2 HE1 TYR 2 6.608 4.062 -5.459
11 HE2 TYR 2 HE2 TYR 2 7.107 -0.170 -5.670
12 HH TYR 2 HH TYR 2 7.980 3.014 -6.914
13 H CYS 3 H CYS 3 6.367 1.767 1.469
14 HA CYS 3 HA CYS 3 6.567 4.658 1.026
15 HB2 CYS 3 HB2 CYS 3 7.089 3.493 3.708
16 HB3 CYS 3 HB3 CYS 3 6.224 4.961 3.268
17 H ALA 4 H ALA 4 8.445 5.442 2.776
18 HA ALA 4 HA ALA 4 10.888 4.532 1.497
19 HB1 ALA 4 HB1 ALA 4 10.194 6.845 3.271
20 HB2 ALA 4 HB2 ALA 4 11.874 6.414 2.949
21 HB3 ALA 4 HB3 ALA 4 10.806 6.854 1.617
22 H THR 5 H THR 5 11.822 2.770 2.310
23 HA THR 5 HA THR 5 11.567 2.079 5.107
24 HB THR 5 HB THR 5 13.178 0.174 4.342
25 HG1 THR 5 HG1 THR 5 13.811 0.512 2.342
26 HG21 THR 5 HG21 THR 5 10.859 -0.482 2.864
27 HG22 THR 5 HG22 THR 5 10.346 0.546 4.202
28 HG23 THR 5 HG23 THR 5 11.254 -0.932 4.522
29 H LYS 6 H LYS 6 13.678 1.203 6.160
30 HA LYS 6 HA LYS 6 15.298 3.292 6.872
31 HB2 LYS 6 HB2 LYS 6 16.670 1.745 7.971
32 HB3 LYS 6 HB3 LYS 6 15.109 0.939 7.895
33 HG2 LYS 6 HG2 LYS 6 15.877 -0.342 5.950
34 HG3 LYS 6 HG3 LYS 6 17.450 0.450 6.065
35 HD2 LYS 6 HD2 LYS 6 18.024 -0.676 7.994
36 HD3 LYS 6 HD3 LYS 6 16.343 -0.957 8.454
37 HE2 LYS 6 HE2 LYS 6 16.135 -2.564 6.596
38 HE3 LYS 6 HE3 LYS 6 17.836 -2.312 6.209
39 HZ1 LYS 6 HZ1 LYS 6 18.366 -3.093 8.480
40 HZ2 LYS 6 HZ2 LYS 6 17.631 -4.277 7.522
41 HZ3 LYS 6 HZ3 LYS 6 16.733 -3.473 8.708
42 H GLY 7 H GLY 7 17.135 4.242 6.139
43 HA2 GLY 7 HA2 GLY 7 19.089 4.453 4.853
44 HA3 GLY 7 HA3 GLY 7 18.609 3.035 3.932
45 H ILE 8 H ILE 8 15.848 4.444 3.774
46 HA ILE 8 HA ILE 8 16.454 5.808 1.276
47 HB ILE 8 HB ILE 8 13.740 5.270 2.482
48 HG12 ILE 8 HG12 ILE 8 15.032 3.178 2.156
49 HG13 ILE 8 HG13 ILE 8 13.640 3.282 1.085
50 HG21 ILE 8 HG21 ILE 8 13.498 6.900 0.823
51 HG22 ILE 8 HG22 ILE 8 14.696 6.142 -0.224
52 HG23 ILE 8 HG23 ILE 8 13.119 5.386 0.002
53 HD11 ILE 8 HD11 ILE 8 16.350 2.851 0.419
54 HD12 ILE 8 HD12 ILE 8 14.956 2.959 -0.656
55 HD13 ILE 8 HD13 ILE 8 15.872 4.411 -0.251
56 H LYS 9 H LYS 9 16.400 7.946 0.983
57 HA LYS 9 HA LYS 9 16.451 9.774 3.048
58 HB2 LYS 9 HB2 LYS 9 15.518 10.361 0.234
59 HB3 LYS 9 HB3 LYS 9 16.219 11.504 1.372
60 HG2 LYS 9 HG2 LYS 9 18.011 9.307 1.015
61 HG3 LYS 9 HG3 LYS 9 17.538 9.948 -0.560
62 HD2 LYS 9 HD2 LYS 9 17.989 12.249 0.756
63 HD3 LYS 9 HD3 LYS 9 19.120 11.193 1.603
64 HE2 LYS 9 HE2 LYS 9 20.171 10.583 -0.487
65 HE3 LYS 9 HE3 LYS 9 18.981 11.517 -1.392
66 HZ1 LYS 9 HZ1 LYS 9 21.077 12.551 0.432
67 HZ2 LYS 9 HZ2 LYS 9 19.811 13.507 -0.157
68 HZ3 LYS 9 HZ3 LYS 9 20.927 12.826 -1.231
69 H CYS 10 H CYS 10 14.985 11.049 4.089
70 HA CYS 10 HA CYS 10 12.144 10.581 3.458
71 HB2 CYS 10 HB2 CYS 10 11.598 10.453 5.725
72 HB3 CYS 10 HB3 CYS 10 13.117 9.567 5.633
73 H ASN 11 H ASN 11 14.268 12.764 2.878
74 HA ASN 11 HA ASN 11 13.524 15.118 4.203
75 HB2 ASN 11 HB2 ASN 11 15.541 15.195 2.982
76 HB3 ASN 11 HB3 ASN 11 14.776 14.590 1.516
77 HD21 ASN 11 HD21 ASN 11 14.532 17.309 3.780
78 HD22 ASN 11 HD22 ASN 11 14.266 18.513 2.570
79 H ASP 12 H ASP 12 11.898 13.278 1.821
80 HA ASP 12 HA ASP 12 9.827 15.350 1.649
81 HB2 ASP 12 HB2 ASP 12 11.315 15.287 -0.425
82 HB3 ASP 12 HB3 ASP 12 10.623 13.699 -0.746
83 H ILE 13 H ILE 13 10.521 12.000 0.630
84 HA ILE 13 HA ILE 13 7.788 11.200 0.916
85 HB ILE 13 HB ILE 13 9.335 10.126 -0.697
86 HG12 ILE 13 HG12 ILE 13 8.609 7.805 -0.249
87 HG13 ILE 13 HG13 ILE 13 8.160 8.272 1.388
88 HG21 ILE 13 HG21 ILE 13 10.572 8.834 1.730
89 HG22 ILE 13 HG22 ILE 13 11.007 8.560 0.044
90 HG23 ILE 13 HG23 ILE 13 11.317 10.127 0.790
91 HD11 ILE 13 HD11 ILE 13 6.173 8.946 0.698
92 HD12 ILE 13 HD12 ILE 13 6.898 10.006 -0.512
93 HD13 ILE 13 HD13 ILE 13 6.567 8.318 -0.903
94 H HIS 14 H HIS 14 6.864 9.887 2.480
95 HA HIS 14 HA HIS 14 8.205 9.962 5.076
96 HB2 HIS 14 HB2 HIS 14 5.719 10.688 4.513
97 HB3 HIS 14 HB3 HIS 14 5.407 8.971 4.750
98 HD1 HIS 14 HD1 HIS 14 5.419 8.094 7.130
99 HD2 HIS 14 HD2 HIS 14 6.607 12.065 6.844
100 HE1 HIS 14 HE1 HIS 14 5.494 8.946 9.495
101 H CYS 15 H CYS 15 8.164 8.094 6.481
102 HA CYS 15 HA CYS 15 8.688 5.648 4.991
103 HB2 CYS 15 HB2 CYS 15 8.969 5.836 7.963
104 HB3 CYS 15 HB3 CYS 15 9.942 4.937 6.803
105 H CYS 16 H CYS 16 7.797 3.604 5.625
106 HA CYS 16 HA CYS 16 5.005 3.650 5.972
107 HB2 CYS 16 HB2 CYS 16 7.105 1.566 5.794
108 HB3 CYS 16 HB3 CYS 16 5.599 1.086 6.570
109 H SER 17 H SER 17 3.729 2.792 7.699
110 HA SER 17 HA SER 17 4.233 3.853 10.190
111 HB2 SER 17 HB2 SER 17 2.575 1.376 9.671
112 HB3 SER 17 HB3 SER 17 2.402 2.502 11.016
113 HG SER 17 HG SER 17 2.057 4.113 9.229
114 H GLY 18 H GLY 18 5.967 3.457 11.409
115 HA2 GLY 18 HA2 GLY 18 6.590 1.634 13.096
116 HA3 GLY 18 HA3 GLY 18 6.898 0.671 11.659
117 H LEU 19 H LEU 19 7.824 3.380 10.439
118 HA LEU 19 HA LEU 19 10.545 3.237 11.560
119 HB2 LEU 19 HB2 LEU 19 9.618 3.879 8.766
120 HB3 LEU 19 HB3 LEU 19 11.280 4.069 9.321
121 HG LEU 19 HG LEU 19 9.809 1.438 9.296
122 HD11 LEU 19 HD11 LEU 19 10.035 2.299 7.022
123 HD12 LEU 19 HD12 LEU 19 11.088 0.911 7.292
124 HD13 LEU 19 HD13 LEU 19 11.763 2.540 7.282
125 HD21 LEU 19 HD21 LEU 19 11.819 0.445 9.863
126 HD22 LEU 19 HD22 LEU 19 11.845 1.920 10.830
127 HD23 LEU 19 HD23 LEU 19 12.773 1.829 9.332
128 H LYS 20 H LYS 20 11.784 5.205 11.601
129 HA LYS 20 HA LYS 20 10.079 7.578 11.949
130 HB2 LYS 20 HB2 LYS 20 12.517 6.579 13.337
131 HB3 LYS 20 HB3 LYS 20 12.316 8.320 13.198
132 HG2 LYS 20 HG2 LYS 20 10.063 6.657 14.223
133 HG3 LYS 20 HG3 LYS 20 11.415 7.058 15.284
134 HD2 LYS 20 HD2 LYS 20 10.530 9.390 13.845
135 HD3 LYS 20 HD3 LYS 20 9.179 8.640 14.700
136 HE2 LYS 20 HE2 LYS 20 11.667 8.834 16.248
137 HE3 LYS 20 HE3 LYS 20 10.949 10.383 15.810
138 HZ1 LYS 20 HZ1 LYS 20 10.238 8.949 17.951
139 HZ2 LYS 20 HZ2 LYS 20 9.088 8.416 16.830
140 HZ3 LYS 20 HZ3 LYS 20 9.224 10.065 17.183
141 H CYS 21 H CYS 21 10.736 9.581 11.129
142 HA CYS 21 HA CYS 21 12.506 9.381 8.812
143 HB2 CYS 21 HB2 CYS 21 10.393 10.345 8.285
144 HB3 CYS 21 HB3 CYS 21 10.463 11.429 9.670
145 H ASP 22 H ASP 22 14.553 9.484 9.674
146 HA ASP 22 HA ASP 22 15.417 11.217 11.692
147 HB2 ASP 22 HB2 ASP 22 16.598 9.176 10.554
148 HB3 ASP 22 HB3 ASP 22 17.250 10.398 9.465
149 H SER 23 H SER 23 14.950 13.340 11.544
150 HA SER 23 HA SER 23 15.105 14.808 9.097
151 HB2 SER 23 HB2 SER 23 13.540 15.428 10.904
152 HB3 SER 23 HB3 SER 23 14.908 15.825 11.944
153 HG SER 23 HG SER 23 14.047 17.124 9.587
154 H LYS 24 H LYS 24 17.406 13.792 11.341
155 HA LYS 24 HA LYS 24 19.224 16.016 10.962
156 HB2 LYS 24 HB2 LYS 24 19.269 13.471 12.532
157 HB3 LYS 24 HB3 LYS 24 20.789 14.289 12.190
158 HG2 LYS 24 HG2 LYS 24 20.437 15.677 13.872
159 HG3 LYS 24 HG3 LYS 24 18.930 16.221 13.131
160 HD2 LYS 24 HD2 LYS 24 17.751 14.337 14.182
161 HD3 LYS 24 HD3 LYS 24 19.260 13.830 14.945
162 HE2 LYS 24 HE2 LYS 24 19.288 16.256 15.881
163 HE3 LYS 24 HE3 LYS 24 17.568 16.236 15.495
164 HZ1 LYS 24 HZ1 LYS 24 19.014 14.836 17.582
165 HZ2 LYS 24 HZ2 LYS 24 17.827 13.924 16.795
166 HZ3 LYS 24 HZ3 LYS 24 17.412 15.380 17.551
167 H ARG 25 H ARG 25 18.972 12.629 9.958
168 HA ARG 25 HA ARG 25 21.257 13.010 8.159
169 HB2 ARG 25 HB2 ARG 25 19.810 10.478 8.960
170 HB3 ARG 25 HB3 ARG 25 21.223 10.558 7.917
171 HG2 ARG 25 HG2 ARG 25 22.105 11.888 10.116
172 HG3 ARG 25 HG3 ARG 25 21.022 10.693 10.832
173 HD2 ARG 25 HD2 ARG 25 23.200 10.036 8.856
174 HD3 ARG 25 HD3 ARG 25 23.393 9.941 10.606
175 HE ARG 25 HE ARG 25 22.060 8.059 8.917
176 HH11 ARG 25 HH11 ARG 25 22.130 9.418 12.122
177 HH12 ARG 25 HH12 ARG 25 21.420 8.025 12.869
178 HH21 ARG 25 HH21 ARG 25 21.125 6.220 9.889
179 HH22 ARG 25 HH22 ARG 25 20.850 6.206 11.598
180 H LYS 26 H LYS 26 18.063 13.495 8.043
181 HA LYS 26 HA LYS 26 16.461 13.546 6.422
182 HB2 LYS 26 HB2 LYS 26 18.957 13.737 4.733
183 HB3 LYS 26 HB3 LYS 26 17.335 13.979 4.099
184 HG2 LYS 26 HG2 LYS 26 17.026 15.840 5.690
185 HG3 LYS 26 HG3 LYS 26 18.696 15.626 6.221
186 HD2 LYS 26 HD2 LYS 26 19.502 16.132 3.991
187 HD3 LYS 26 HD3 LYS 26 17.846 16.247 3.392
188 HE2 LYS 26 HE2 LYS 26 18.059 17.966 5.628
189 HE3 LYS 26 HE3 LYS 26 19.463 18.262 4.604
190 HZ1 LYS 26 HZ1 LYS 26 16.603 18.558 3.945
191 HZ2 LYS 26 HZ2 LYS 26 17.750 18.347 2.720
192 HZ3 LYS 26 HZ3 LYS 26 17.858 19.678 3.758
193 H VAL 27 H VAL 27 16.950 10.987 7.326
194 HA VAL 27 HA VAL 27 16.160 9.441 4.995
195 HB VAL 27 HB VAL 27 17.736 7.575 5.633
196 HG11 VAL 27 HG11 VAL 27 18.901 10.154 4.591
197 HG12 VAL 27 HG12 VAL 27 19.662 8.569 4.438
198 HG13 VAL 27 HG13 VAL 27 18.118 8.888 3.645
199 HG21 VAL 27 HG21 VAL 27 19.383 7.823 7.169
200 HG22 VAL 27 HG22 VAL 27 19.579 9.546 6.844
201 HG23 VAL 27 HG23 VAL 27 18.247 8.985 7.854
202 H CYS 28 H CYS 28 15.390 7.248 5.616
203 HA CYS 28 HA CYS 28 13.813 7.440 8.035
204 HB2 CYS 28 HB2 CYS 28 13.905 5.382 5.823
205 HB3 CYS 28 HB3 CYS 28 12.822 5.281 7.207
206 H VAL 29 H VAL 29 13.927 6.103 9.806
207 HA VAL 29 HA VAL 29 16.045 4.081 9.882
208 HB VAL 29 HB VAL 29 16.720 4.894 12.158
209 HG11 VAL 29 HG11 VAL 29 17.838 5.429 9.869
210 HG12 VAL 29 HG12 VAL 29 17.259 7.067 10.179
211 HG13 VAL 29 HG13 VAL 29 18.357 6.288 11.319
212 HG21 VAL 29 HG21 VAL 29 16.054 6.942 13.005
213 HG22 VAL 29 HG22 VAL 29 15.524 7.538 11.433
214 HG23 VAL 29 HG23 VAL 29 14.561 6.334 12.289
215 H LYS 30 H LYS 30 15.940 2.951 12.146
216 HA LYS 30 HA LYS 30 13.264 1.923 12.391
217 HB2 LYS 30 HB2 LYS 30 15.280 0.474 12.514
218 HB3 LYS 30 HB3 LYS 30 15.725 1.265 14.021
219 HG2 LYS 30 HG2 LYS 30 14.384 -0.052 15.194
220 HG3 LYS 30 HG3 LYS 30 13.015 0.288 14.132
221 HD2 LYS 30 HD2 LYS 30 14.244 -1.351 12.508
222 HD3 LYS 30 HD3 LYS 30 15.037 -1.908 13.984
223 HE2 LYS 30 HE2 LYS 30 12.735 -2.182 14.975
224 HE3 LYS 30 HE3 LYS 30 12.090 -1.890 13.361
225 HZ1 LYS 30 HZ1 LYS 30 14.148 -3.888 13.402
226 HZ2 LYS 30 HZ2 LYS 30 12.600 -3.947 12.722
227 HZ3 LYS 30 HZ3 LYS 30 12.818 -4.305 14.361
228 H GLY 31 H GLY 31 11.918 3.416 13.309
229 HA2 GLY 31 HA2 GLY 31 12.550 5.134 15.431
230 HA3 GLY 31 HA3 GLY 31 10.925 4.644 14.973
Start of MODEL 18
1 H1 GLY 1 H GLY 1 0.419 0.859 -0.254
2 HA2 GLY 1 HA2 GLY 1 1.560 -0.910 -1.341
3 HA3 GLY 1 HA3 GLY 1 1.937 0.492 -2.331
4 H TYR 2 H TYR 2 3.799 1.847 -1.015
5 HA TYR 2 HA TYR 2 5.834 0.178 0.117
6 HB2 TYR 2 HB2 TYR 2 5.907 -0.240 -2.420
7 HB3 TYR 2 HB3 TYR 2 6.527 1.402 -2.546
8 HD1 TYR 2 HD1 TYR 2 8.588 1.927 -0.981
9 HD2 TYR 2 HD2 TYR 2 7.416 -1.978 -2.198
10 HE1 TYR 2 HE1 TYR 2 10.861 1.109 -0.523
11 HE2 TYR 2 HE2 TYR 2 9.686 -2.807 -1.743
12 HH TYR 2 HH TYR 2 12.230 -1.235 -1.629
13 H CYS 3 H CYS 3 6.574 1.462 1.662
14 HA CYS 3 HA CYS 3 6.743 4.349 1.177
15 HB2 CYS 3 HB2 CYS 3 7.296 3.224 3.871
16 HB3 CYS 3 HB3 CYS 3 6.416 4.680 3.417
17 H ALA 4 H ALA 4 8.626 5.181 2.893
18 HA ALA 4 HA ALA 4 11.070 4.238 1.627
19 HB1 ALA 4 HB1 ALA 4 10.981 6.560 1.625
20 HB2 ALA 4 HB2 ALA 4 10.363 6.636 3.275
21 HB3 ALA 4 HB3 ALA 4 12.047 6.200 2.984
22 H THR 5 H THR 5 12.016 2.524 2.524
23 HA THR 5 HA THR 5 11.778 1.971 5.352
24 HB THR 5 HB THR 5 13.402 0.046 4.686
25 HG1 THR 5 HG1 THR 5 14.071 0.517 2.681
26 HG21 THR 5 HG21 THR 5 11.107 -0.703 3.220
27 HG22 THR 5 HG22 THR 5 10.567 0.391 4.493
28 HG23 THR 5 HG23 THR 5 11.481 -1.059 4.906
29 H LYS 6 H LYS 6 13.921 1.143 6.416
30 HA LYS 6 HA LYS 6 15.504 3.272 7.069
31 HB2 LYS 6 HB2 LYS 6 15.463 1.116 8.282
32 HB3 LYS 6 HB3 LYS 6 16.394 0.383 6.982
33 HG2 LYS 6 HG2 LYS 6 18.294 1.726 7.478
34 HG3 LYS 6 HG3 LYS 6 17.368 2.720 8.606
35 HD2 LYS 6 HD2 LYS 6 18.693 1.196 9.887
36 HD3 LYS 6 HD3 LYS 6 17.011 0.671 9.994
37 HE2 LYS 6 HE2 LYS 6 18.268 -1.289 9.635
38 HE3 LYS 6 HE3 LYS 6 17.529 -0.907 8.080
39 HZ1 LYS 6 HZ1 LYS 6 19.718 -1.400 7.554
40 HZ2 LYS 6 HZ2 LYS 6 20.345 -0.602 8.906
41 HZ3 LYS 6 HZ3 LYS 6 19.723 0.291 7.611
42 H GLY 7 H GLY 7 17.235 4.311 6.246
43 HA2 GLY 7 HA2 GLY 7 19.196 4.528 4.948
44 HA3 GLY 7 HA3 GLY 7 18.724 3.099 4.039
45 H ILE 8 H ILE 8 15.943 4.311 3.813
46 HA ILE 8 HA ILE 8 16.481 5.741 1.351
47 HB ILE 8 HB ILE 8 13.787 5.134 2.565
48 HG12 ILE 8 HG12 ILE 8 15.124 3.068 2.301
49 HG13 ILE 8 HG13 ILE 8 13.748 3.114 1.204
50 HG21 ILE 8 HG21 ILE 8 13.603 6.760 0.847
51 HG22 ILE 8 HG22 ILE 8 14.707 5.873 -0.203
52 HG23 ILE 8 HG23 ILE 8 13.105 5.222 0.143
53 HD11 ILE 8 HD11 ILE 8 15.966 4.265 -0.129
54 HD12 ILE 8 HD12 ILE 8 16.484 2.743 0.596
55 HD13 ILE 8 HD13 ILE 8 15.104 2.772 -0.502
56 H LYS 9 H LYS 9 16.208 7.871 0.992
57 HA LYS 9 HA LYS 9 16.311 9.734 3.022
58 HB2 LYS 9 HB2 LYS 9 15.130 10.193 0.277
59 HB3 LYS 9 HB3 LYS 9 15.804 11.417 1.344
60 HG2 LYS 9 HG2 LYS 9 17.313 9.172 0.022
61 HG3 LYS 9 HG3 LYS 9 17.369 10.882 -0.414
62 HD2 LYS 9 HD2 LYS 9 17.998 11.029 2.207
63 HD3 LYS 9 HD3 LYS 9 18.667 9.444 1.812
64 HE2 LYS 9 HE2 LYS 9 20.118 10.334 0.204
65 HE3 LYS 9 HE3 LYS 9 19.222 11.849 0.105
66 HZ1 LYS 9 HZ1 LYS 9 21.438 11.300 1.675
67 HZ2 LYS 9 HZ2 LYS 9 20.137 11.447 2.745
68 HZ3 LYS 9 HZ3 LYS 9 20.500 12.708 1.677
69 H CYS 10 H CYS 10 14.842 11.041 4.074
70 HA CYS 10 HA CYS 10 12.001 10.342 3.728
71 HB2 CYS 10 HB2 CYS 10 11.661 10.168 6.008
72 HB3 CYS 10 HB3 CYS 10 13.290 9.516 5.863
73 H ASN 11 H ASN 11 14.081 12.672 3.118
74 HA ASN 11 HA ASN 11 13.045 14.973 4.377
75 HB2 ASN 11 HB2 ASN 11 14.104 16.151 2.348
76 HB3 ASN 11 HB3 ASN 11 15.169 15.224 3.400
77 HD21 ASN 11 HD21 ASN 11 13.209 14.895 0.471
78 HD22 ASN 11 HD22 ASN 11 14.302 13.838 -0.350
79 H ASP 12 H ASP 12 12.004 13.121 1.631
80 HA ASP 12 HA ASP 12 9.818 15.051 1.203
81 HB2 ASP 12 HB2 ASP 12 11.433 13.481 -0.785
82 HB3 ASP 12 HB3 ASP 12 9.794 13.995 -1.174
83 H ILE 13 H ILE 13 10.641 11.655 0.468
84 HA ILE 13 HA ILE 13 7.903 10.830 0.595
85 HB ILE 13 HB ILE 13 9.553 9.688 -0.844
86 HG12 ILE 13 HG12 ILE 13 8.710 7.585 1.089
87 HG13 ILE 13 HG13 ILE 13 7.452 8.600 0.394
88 HG21 ILE 13 HG21 ILE 13 10.678 8.531 1.699
89 HG22 ILE 13 HG22 ILE 13 11.244 8.259 0.052
90 HG23 ILE 13 HG23 ILE 13 11.431 9.846 0.796
91 HD11 ILE 13 HD11 ILE 13 7.510 7.477 -1.512
92 HD12 ILE 13 HD12 ILE 13 9.260 7.657 -1.639
93 HD13 ILE 13 HD13 ILE 13 8.575 6.320 -0.715
94 H HIS 14 H HIS 14 6.911 9.508 2.137
95 HA HIS 14 HA HIS 14 8.012 9.800 4.829
96 HB2 HIS 14 HB2 HIS 14 5.282 9.349 3.705
97 HB3 HIS 14 HB3 HIS 14 5.615 8.799 5.345
98 HD1 HIS 14 HD1 HIS 14 6.641 10.786 6.953
99 HD2 HIS 14 HD2 HIS 14 4.540 11.948 3.562
100 HE1 HIS 14 HE1 HIS 14 5.993 13.183 7.352
101 H CYS 15 H CYS 15 8.137 8.045 6.292
102 HA CYS 15 HA CYS 15 8.773 5.524 4.982
103 HB2 CYS 15 HB2 CYS 15 9.056 5.954 7.930
104 HB3 CYS 15 HB3 CYS 15 10.061 5.006 6.838
105 H CYS 16 H CYS 16 7.975 3.494 5.748
106 HA CYS 16 HA CYS 16 5.183 3.453 6.149
107 HB2 CYS 16 HB2 CYS 16 7.357 1.443 6.002
108 HB3 CYS 16 HB3 CYS 16 5.888 0.941 6.834
109 H SER 17 H SER 17 3.984 2.637 7.945
110 HA SER 17 HA SER 17 4.522 3.815 10.376
111 HB2 SER 17 HB2 SER 17 2.374 2.585 9.424
112 HB3 SER 17 HB3 SER 17 3.003 1.243 10.379
113 HG SER 17 HG SER 17 1.917 3.656 11.199
114 H GLY 18 H GLY 18 5.994 3.456 11.892
115 HA2 GLY 18 HA2 GLY 18 6.806 1.752 13.515
116 HA3 GLY 18 HA3 GLY 18 7.118 0.731 12.119
117 H LEU 19 H LEU 19 8.022 3.258 10.664
118 HA LEU 19 HA LEU 19 10.749 3.241 11.761
119 HB2 LEU 19 HB2 LEU 19 9.706 3.793 8.993
120 HB3 LEU 19 HB3 LEU 19 11.375 4.089 9.475
121 HG LEU 19 HG LEU 19 10.035 1.387 9.542
122 HD11 LEU 19 HD11 LEU 19 10.250 2.285 7.250
123 HD12 LEU 19 HD12 LEU 19 11.259 0.868 7.535
124 HD13 LEU 19 HD13 LEU 19 11.983 2.476 7.516
125 HD21 LEU 19 HD21 LEU 19 12.959 2.095 9.703
126 HD22 LEU 19 HD22 LEU 19 12.218 0.511 9.932
127 HD23 LEU 19 HD23 LEU 19 11.943 1.792 11.113
128 H LYS 20 H LYS 20 11.948 5.198 11.848
129 HA LYS 20 HA LYS 20 10.240 7.562 12.201
130 HB2 LYS 20 HB2 LYS 20 12.761 6.612 13.475
131 HB3 LYS 20 HB3 LYS 20 12.510 8.348 13.347
132 HG2 LYS 20 HG2 LYS 20 10.429 6.544 14.529
133 HG3 LYS 20 HG3 LYS 20 11.761 7.188 15.491
134 HD2 LYS 20 HD2 LYS 20 11.032 9.482 14.574
135 HD3 LYS 20 HD3 LYS 20 9.532 8.665 14.129
136 HE2 LYS 20 HE2 LYS 20 10.709 8.737 16.906
137 HE3 LYS 20 HE3 LYS 20 9.414 9.786 16.331
138 HZ1 LYS 20 HZ1 LYS 20 8.239 8.117 17.333
139 HZ2 LYS 20 HZ2 LYS 20 9.350 6.911 16.920
140 HZ3 LYS 20 HZ3 LYS 20 8.296 7.527 15.748
141 H CYS 21 H CYS 21 10.790 9.548 11.301
142 HA CYS 21 HA CYS 21 12.494 9.362 8.934
143 HB2 CYS 21 HB2 CYS 21 10.334 10.241 8.454
144 HB3 CYS 21 HB3 CYS 21 10.408 11.355 9.816
145 H ASP 22 H ASP 22 14.564 9.562 9.714
146 HA ASP 22 HA ASP 22 15.422 11.373 11.674
147 HB2 ASP 22 HB2 ASP 22 16.638 9.337 10.569
148 HB3 ASP 22 HB3 ASP 22 17.221 10.542 9.424
149 H SER 23 H SER 23 14.882 13.475 11.474
150 HA SER 23 HA SER 23 14.936 14.872 8.980
151 HB2 SER 23 HB2 SER 23 13.475 15.375 11.043
152 HB3 SER 23 HB3 SER 23 14.898 16.192 11.689
153 HG SER 23 HG SER 23 13.135 17.042 9.827
154 H LYS 24 H LYS 24 17.311 14.005 11.211
155 HA LYS 24 HA LYS 24 19.045 16.276 10.721
156 HB2 LYS 24 HB2 LYS 24 19.215 13.786 12.375
157 HB3 LYS 24 HB3 LYS 24 20.690 14.664 11.989
158 HG2 LYS 24 HG2 LYS 24 19.278 16.715 12.867
159 HG3 LYS 24 HG3 LYS 24 18.415 15.440 13.729
160 HD2 LYS 24 HD2 LYS 24 20.541 14.658 14.677
161 HD3 LYS 24 HD3 LYS 24 21.388 15.955 13.831
162 HE2 LYS 24 HE2 LYS 24 20.358 17.619 15.138
163 HE3 LYS 24 HE3 LYS 24 19.134 16.502 15.741
164 HZ1 LYS 24 HZ1 LYS 24 20.958 15.295 16.883
165 HZ2 LYS 24 HZ2 LYS 24 20.721 16.869 17.456
166 HZ3 LYS 24 HZ3 LYS 24 22.021 16.531 16.428
167 H ARG 25 H ARG 25 18.873 12.854 9.831
168 HA ARG 25 HA ARG 25 21.128 13.232 7.995
169 HB2 ARG 25 HB2 ARG 25 19.761 10.732 8.999
170 HB3 ARG 25 HB3 ARG 25 21.038 10.733 7.790
171 HG2 ARG 25 HG2 ARG 25 21.564 12.098 10.373
172 HG3 ARG 25 HG3 ARG 25 21.539 10.333 10.346
173 HD2 ARG 25 HD2 ARG 25 23.309 10.227 8.803
174 HD3 ARG 25 HD3 ARG 25 23.147 11.930 8.376
175 HE ARG 25 HE ARG 25 23.791 11.642 11.120
176 HH11 ARG 25 HH11 ARG 25 25.175 11.436 7.932
177 HH12 ARG 25 HH12 ARG 25 26.778 11.830 8.460
178 HH21 ARG 25 HH21 ARG 25 25.897 12.161 11.828
179 HH22 ARG 25 HH22 ARG 25 27.187 12.241 10.676
180 H LYS 26 H LYS 26 17.911 13.619 7.910
181 HA LYS 26 HA LYS 26 16.295 13.592 6.305
182 HB2 LYS 26 HB2 LYS 26 18.805 13.884 4.668
183 HB3 LYS 26 HB3 LYS 26 17.212 13.888 3.924
184 HG2 LYS 26 HG2 LYS 26 16.952 16.028 4.409
185 HG3 LYS 26 HG3 LYS 26 17.217 15.706 6.125
186 HD2 LYS 26 HD2 LYS 26 19.736 15.626 5.404
187 HD3 LYS 26 HD3 LYS 26 19.160 16.568 4.027
188 HE2 LYS 26 HE2 LYS 26 18.231 18.235 5.538
189 HE3 LYS 26 HE3 LYS 26 18.740 17.280 6.930
190 HZ1 LYS 26 HZ1 LYS 26 20.548 18.573 6.838
191 HZ2 LYS 26 HZ2 LYS 26 20.287 19.030 5.230
192 HZ3 LYS 26 HZ3 LYS 26 21.040 17.556 5.578
193 H VAL 27 H VAL 27 16.860 11.074 7.275
194 HA VAL 27 HA VAL 27 16.076 9.442 5.002
195 HB VAL 27 HB VAL 27 17.714 7.637 5.666
196 HG11 VAL 27 HG11 VAL 27 19.578 8.632 4.391
197 HG12 VAL 27 HG12 VAL 27 18.010 8.911 3.630
198 HG13 VAL 27 HG13 VAL 27 18.801 10.209 4.526
199 HG21 VAL 27 HG21 VAL 27 19.402 7.987 7.143
200 HG22 VAL 27 HG22 VAL 27 19.511 9.710 6.782
201 HG23 VAL 27 HG23 VAL 27 18.229 9.109 7.834
202 H CYS 28 H CYS 28 15.368 7.253 5.692
203 HA CYS 28 HA CYS 28 13.852 7.467 8.152
204 HB2 CYS 28 HB2 CYS 28 13.909 5.276 6.066
205 HB3 CYS 28 HB3 CYS 28 12.765 5.389 7.400
206 H VAL 29 H VAL 29 13.988 6.085 9.909
207 HA VAL 29 HA VAL 29 16.157 4.120 9.954
208 HB VAL 29 HB VAL 29 16.970 4.937 12.129
209 HG11 VAL 29 HG11 VAL 29 17.078 7.163 10.106
210 HG12 VAL 29 HG12 VAL 29 18.303 6.709 11.292
211 HG13 VAL 29 HG13 VAL 29 17.965 5.650 9.922
212 HG21 VAL 29 HG21 VAL 29 14.679 6.716 11.844
213 HG22 VAL 29 HG22 VAL 29 15.567 6.235 13.291
214 HG23 VAL 29 HG23 VAL 29 16.162 7.561 12.291
215 H LYS 30 H LYS 30 16.126 3.024 12.248
216 HA LYS 30 HA LYS 30 13.490 1.920 12.547
217 HB2 LYS 30 HB2 LYS 30 16.204 1.322 13.601
218 HB3 LYS 30 HB3 LYS 30 14.835 0.767 14.556
219 HG2 LYS 30 HG2 LYS 30 14.377 0.102 11.823
220 HG3 LYS 30 HG3 LYS 30 15.992 -0.440 12.286
221 HD2 LYS 30 HD2 LYS 30 15.198 -1.999 13.715
222 HD3 LYS 30 HD3 LYS 30 13.861 -0.978 14.249
223 HE2 LYS 30 HE2 LYS 30 12.846 -1.426 11.942
224 HE3 LYS 30 HE3 LYS 30 14.037 -2.718 11.807
225 HZ1 LYS 30 HZ1 LYS 30 13.137 -3.623 13.915
226 HZ2 LYS 30 HZ2 LYS 30 12.021 -3.634 12.644
227 HZ3 LYS 30 HZ3 LYS 30 11.908 -2.461 13.858
228 H GLY 31 H GLY 31 11.987 3.041 13.616
229 HA2 GLY 31 HA2 GLY 31 12.673 4.879 15.728
230 HA3 GLY 31 HA3 GLY 31 11.055 4.508 15.149
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.795 -2.255 0.836
2 HA2 GLY 1 HA2 GLY 1 3.789 -0.741 1.988
3 HA3 GLY 1 HA3 GLY 1 4.052 -2.321 1.265
4 H TYR 2 H TYR 2 4.278 1.121 0.815
5 HA TYR 2 HA TYR 2 6.293 0.750 -1.213
6 HB2 TYR 2 HB2 TYR 2 3.907 0.807 -2.310
7 HB3 TYR 2 HB3 TYR 2 4.033 2.539 -2.025
8 HD1 TYR 2 HD1 TYR 2 5.778 -0.313 -3.655
9 HD2 TYR 2 HD2 TYR 2 5.208 3.901 -3.521
10 HE1 TYR 2 HE1 TYR 2 7.089 -0.077 -5.722
11 HE2 TYR 2 HE2 TYR 2 6.517 4.149 -5.589
12 HH TYR 2 HH TYR 2 8.381 1.609 -6.899
13 H CYS 3 H CYS 3 6.360 1.802 1.389
14 HA CYS 3 HA CYS 3 6.566 4.702 1.006
15 HB2 CYS 3 HB2 CYS 3 7.105 3.476 3.658
16 HB3 CYS 3 HB3 CYS 3 6.244 4.958 3.257
17 H ALA 4 H ALA 4 8.460 5.429 2.775
18 HA ALA 4 HA ALA 4 10.891 4.529 1.458
19 HB1 ALA 4 HB1 ALA 4 10.833 6.847 1.594
20 HB2 ALA 4 HB2 ALA 4 10.213 6.834 3.245
21 HB3 ALA 4 HB3 ALA 4 11.892 6.395 2.930
22 H THR 5 H THR 5 11.816 2.753 2.250
23 HA THR 5 HA THR 5 11.576 2.041 5.043
24 HB THR 5 HB THR 5 13.174 0.135 4.254
25 HG1 THR 5 HG1 THR 5 13.812 0.821 2.269
26 HG21 THR 5 HG21 THR 5 11.242 -0.958 4.441
27 HG22 THR 5 HG22 THR 5 10.850 -0.504 2.782
28 HG23 THR 5 HG23 THR 5 10.342 0.524 4.122
29 H LYS 6 H LYS 6 13.691 1.143 6.075
30 HA LYS 6 HA LYS 6 15.321 3.215 6.806
31 HB2 LYS 6 HB2 LYS 6 16.701 1.648 7.866
32 HB3 LYS 6 HB3 LYS 6 15.138 0.844 7.789
33 HG2 LYS 6 HG2 LYS 6 15.897 -0.387 5.796
34 HG3 LYS 6 HG3 LYS 6 17.479 0.381 5.951
35 HD2 LYS 6 HD2 LYS 6 18.107 -1.168 7.416
36 HD3 LYS 6 HD3 LYS 6 16.757 -0.741 8.471
37 HE2 LYS 6 HE2 LYS 6 15.455 -2.450 7.722
38 HE3 LYS 6 HE3 LYS 6 16.148 -2.413 6.101
39 HZ1 LYS 6 HZ1 LYS 6 18.231 -3.326 7.233
40 HZ2 LYS 6 HZ2 LYS 6 16.932 -4.384 7.005
41 HZ3 LYS 6 HZ3 LYS 6 17.214 -3.708 8.530
42 H GLY 7 H GLY 7 17.156 4.174 6.077
43 HA2 GLY 7 HA2 GLY 7 19.088 4.427 4.775
44 HA3 GLY 7 HA3 GLY 7 18.626 3.005 3.852
45 H ILE 8 H ILE 8 15.847 4.464 3.778
46 HA ILE 8 HA ILE 8 16.417 5.803 1.251
47 HB ILE 8 HB ILE 8 13.729 5.224 2.498
48 HG12 ILE 8 HG12 ILE 8 15.031 3.158 2.084
49 HG13 ILE 8 HG13 ILE 8 13.621 3.279 1.037
50 HG21 ILE 8 HG21 ILE 8 13.131 5.359 -0.034
51 HG22 ILE 8 HG22 ILE 8 13.319 6.838 0.906
52 HG23 ILE 8 HG23 ILE 8 14.626 6.289 -0.142
53 HD11 ILE 8 HD11 ILE 8 16.292 2.849 0.302
54 HD12 ILE 8 HD12 ILE 8 14.897 3.079 -0.753
55 HD13 ILE 8 HD13 ILE 8 15.869 4.466 -0.261
56 H LYS 9 H LYS 9 16.359 7.942 0.965
57 HA LYS 9 HA LYS 9 16.421 9.766 3.033
58 HB2 LYS 9 HB2 LYS 9 15.536 10.271 0.186
59 HB3 LYS 9 HB3 LYS 9 16.061 11.502 1.326
60 HG2 LYS 9 HG2 LYS 9 18.014 9.379 1.036
61 HG3 LYS 9 HG3 LYS 9 17.642 10.168 -0.499
62 HD2 LYS 9 HD2 LYS 9 18.162 12.332 0.441
63 HD3 LYS 9 HD3 LYS 9 18.405 11.616 2.037
64 HE2 LYS 9 HE2 LYS 9 20.211 10.191 0.922
65 HE3 LYS 9 HE3 LYS 9 20.092 11.316 -0.431
66 HZ1 LYS 9 HZ1 LYS 9 21.386 11.649 2.090
67 HZ2 LYS 9 HZ2 LYS 9 20.309 12.914 1.776
68 HZ3 LYS 9 HZ3 LYS 9 21.542 12.561 0.674
69 H CYS 10 H CYS 10 14.959 11.046 4.078
70 HA CYS 10 HA CYS 10 12.115 10.572 3.468
71 HB2 CYS 10 HB2 CYS 10 11.583 10.425 5.735
72 HB3 CYS 10 HB3 CYS 10 13.110 9.553 5.636
73 H ASN 11 H ASN 11 14.248 12.762 2.904
74 HA ASN 11 HA ASN 11 13.507 15.108 4.237
75 HB2 ASN 11 HB2 ASN 11 15.514 15.194 3.002
76 HB3 ASN 11 HB3 ASN 11 14.740 14.592 1.539
77 HD21 ASN 11 HD21 ASN 11 14.966 17.342 3.712
78 HD22 ASN 11 HD22 ASN 11 14.512 18.535 2.547
79 H ASP 12 H ASP 12 11.877 13.289 1.833
80 HA ASP 12 HA ASP 12 9.792 15.349 1.707
81 HB2 ASP 12 HB2 ASP 12 9.489 14.500 -0.755
82 HB3 ASP 12 HB3 ASP 12 10.698 15.727 -0.390
83 H ILE 13 H ILE 13 10.524 12.017 0.661
84 HA ILE 13 HA ILE 13 7.796 11.187 0.905
85 HB ILE 13 HB ILE 13 9.387 10.140 -0.689
86 HG12 ILE 13 HG12 ILE 13 8.410 8.055 1.251
87 HG13 ILE 13 HG13 ILE 13 7.286 9.020 0.300
88 HG21 ILE 13 HG21 ILE 13 11.055 8.584 0.067
89 HG22 ILE 13 HG22 ILE 13 11.331 10.138 0.850
90 HG23 ILE 13 HG23 ILE 13 10.574 8.822 1.747
91 HD11 ILE 13 HD11 ILE 13 7.518 7.133 -0.986
92 HD12 ILE 13 HD12 ILE 13 8.714 8.208 -1.710
93 HD13 ILE 13 HD13 ILE 13 9.227 6.944 -0.593
94 H HIS 14 H HIS 14 6.863 9.861 2.451
95 HA HIS 14 HA HIS 14 8.169 9.933 5.064
96 HB2 HIS 14 HB2 HIS 14 5.340 9.636 4.136
97 HB3 HIS 14 HB3 HIS 14 5.786 9.040 5.731
98 HD1 HIS 14 HD1 HIS 14 5.968 12.271 3.739
99 HD2 HIS 14 HD2 HIS 14 5.730 10.939 7.667
100 HE1 HIS 14 HE1 HIS 14 5.707 14.345 5.138
101 H CYS 15 H CYS 15 8.162 8.063 6.451
102 HA CYS 15 HA CYS 15 8.696 5.624 4.953
103 HB2 CYS 15 HB2 CYS 15 8.989 5.809 7.924
104 HB3 CYS 15 HB3 CYS 15 9.962 4.917 6.759
105 H CYS 16 H CYS 16 7.811 3.578 5.562
106 HA CYS 16 HA CYS 16 5.023 3.609 5.938
107 HB2 CYS 16 HB2 CYS 16 7.128 1.534 5.712
108 HB3 CYS 16 HB3 CYS 16 5.630 1.039 6.494
109 H SER 17 H SER 17 3.780 2.665 7.667
110 HA SER 17 HA SER 17 4.278 3.718 10.164
111 HB2 SER 17 HB2 SER 17 2.711 1.172 9.738
112 HB3 SER 17 HB3 SER 17 2.457 2.407 10.971
113 HG SER 17 HG SER 17 1.476 2.277 8.464
114 H GLY 18 H GLY 18 5.989 3.352 11.414
115 HA2 GLY 18 HA2 GLY 18 6.706 1.550 13.061
116 HA3 GLY 18 HA3 GLY 18 7.004 0.588 11.621
117 H LEU 19 H LEU 19 7.849 3.338 10.401
118 HA LEU 19 HA LEU 19 10.590 3.254 11.480
119 HB2 LEU 19 HB2 LEU 19 9.641 3.839 8.680
120 HB3 LEU 19 HB3 LEU 19 11.306 4.027 9.227
121 HG LEU 19 HG LEU 19 9.817 1.405 9.233
122 HD11 LEU 19 HD11 LEU 19 11.101 0.846 7.241
123 HD12 LEU 19 HD12 LEU 19 11.787 2.470 7.215
124 HD13 LEU 19 HD13 LEU 19 10.059 2.240 6.950
125 HD21 LEU 19 HD21 LEU 19 12.785 1.789 9.286
126 HD22 LEU 19 HD22 LEU 19 11.827 0.402 9.805
127 HD23 LEU 19 HD23 LEU 19 11.843 1.876 10.774
128 H LYS 20 H LYS 20 11.732 5.207 11.677
129 HA LYS 20 HA LYS 20 9.996 7.564 11.898
130 HB2 LYS 20 HB2 LYS 20 11.486 8.413 13.526
131 HB3 LYS 20 HB3 LYS 20 11.304 6.704 13.901
132 HG2 LYS 20 HG2 LYS 20 13.522 6.627 13.962
133 HG3 LYS 20 HG3 LYS 20 13.469 6.745 12.202
134 HD2 LYS 20 HD2 LYS 20 14.606 8.651 12.363
135 HD3 LYS 20 HD3 LYS 20 13.195 9.368 13.146
136 HE2 LYS 20 HE2 LYS 20 15.184 7.767 14.716
137 HE3 LYS 20 HE3 LYS 20 15.480 9.465 14.349
138 HZ1 LYS 20 HZ1 LYS 20 14.339 9.813 16.225
139 HZ2 LYS 20 HZ2 LYS 20 13.622 8.281 16.215
140 HZ3 LYS 20 HZ3 LYS 20 12.964 9.528 15.280
141 H CYS 21 H CYS 21 10.680 9.594 11.114
142 HA CYS 21 HA CYS 21 12.430 9.392 8.782
143 HB2 CYS 21 HB2 CYS 21 10.316 10.381 8.289
144 HB3 CYS 21 HB3 CYS 21 10.426 11.466 9.672
145 H ASP 22 H ASP 22 14.480 9.451 9.658
146 HA ASP 22 HA ASP 22 15.381 11.161 11.673
147 HB2 ASP 22 HB2 ASP 22 16.522 9.121 10.449
148 HB3 ASP 22 HB3 ASP 22 17.217 10.388 9.442
149 H SER 23 H SER 23 14.925 13.289 11.547
150 HA SER 23 HA SER 23 15.086 14.781 9.114
151 HB2 SER 23 HB2 SER 23 13.608 15.256 11.177
152 HB3 SER 23 HB3 SER 23 15.050 16.002 11.867
153 HG SER 23 HG SER 23 13.754 17.525 10.764
154 H LYS 24 H LYS 24 17.380 13.728 11.348
155 HA LYS 24 HA LYS 24 19.211 15.945 10.994
156 HB2 LYS 24 HB2 LYS 24 19.579 13.263 12.341
157 HB3 LYS 24 HB3 LYS 24 20.753 14.572 12.362
158 HG2 LYS 24 HG2 LYS 24 19.302 15.959 13.641
159 HG3 LYS 24 HG3 LYS 24 17.958 14.832 13.441
160 HD2 LYS 24 HD2 LYS 24 18.620 13.617 15.190
161 HD3 LYS 24 HD3 LYS 24 20.271 13.519 14.575
162 HE2 LYS 24 HE2 LYS 24 19.189 15.956 15.970
163 HE3 LYS 24 HE3 LYS 24 19.969 14.631 16.832
164 HZ1 LYS 24 HZ1 LYS 24 21.136 16.715 15.227
165 HZ2 LYS 24 HZ2 LYS 24 21.727 15.174 14.858
166 HZ3 LYS 24 HZ3 LYS 24 21.835 15.765 16.439
167 H ARG 25 H ARG 25 18.950 12.565 9.963
168 HA ARG 25 HA ARG 25 21.231 12.958 8.162
169 HB2 ARG 25 HB2 ARG 25 19.784 10.419 8.940
170 HB3 ARG 25 HB3 ARG 25 21.202 10.511 7.904
171 HG2 ARG 25 HG2 ARG 25 22.516 11.386 9.757
172 HG3 ARG 25 HG3 ARG 25 21.093 11.331 10.799
173 HD2 ARG 25 HD2 ARG 25 21.146 9.057 10.986
174 HD3 ARG 25 HD3 ARG 25 21.880 8.836 9.398
175 HE ARG 25 HE ARG 25 23.732 10.093 11.089
176 HH11 ARG 25 HH11 ARG 25 22.144 7.023 10.672
177 HH12 ARG 25 HH12 ARG 25 23.439 6.110 11.373
178 HH21 ARG 25 HH21 ARG 25 25.444 8.902 12.014
179 HH22 ARG 25 HH22 ARG 25 25.316 7.180 12.137
180 H LYS 26 H LYS 26 18.038 13.447 8.055
181 HA LYS 26 HA LYS 26 16.432 13.509 6.439
182 HB2 LYS 26 HB2 LYS 26 18.944 13.748 4.784
183 HB3 LYS 26 HB3 LYS 26 17.333 13.921 4.099
184 HG2 LYS 26 HG2 LYS 26 16.932 15.909 5.202
185 HG3 LYS 26 HG3 LYS 26 18.143 15.584 6.444
186 HD2 LYS 26 HD2 LYS 26 19.390 15.655 3.861
187 HD3 LYS 26 HD3 LYS 26 18.437 17.121 4.106
188 HE2 LYS 26 HE2 LYS 26 20.004 16.327 6.442
189 HE3 LYS 26 HE3 LYS 26 20.985 16.698 5.026
190 HZ1 LYS 26 HZ1 LYS 26 20.477 18.619 6.527
191 HZ2 LYS 26 HZ2 LYS 26 18.864 18.506 6.032
192 HZ3 LYS 26 HZ3 LYS 26 20.073 18.856 4.901
193 H VAL 27 H VAL 27 16.903 10.948 7.321
194 HA VAL 27 HA VAL 27 16.122 9.419 4.976
195 HB VAL 27 HB VAL 27 17.689 7.547 5.596
196 HG11 VAL 27 HG11 VAL 27 18.879 10.137 4.612
197 HG12 VAL 27 HG12 VAL 27 19.629 8.550 4.436
198 HG13 VAL 27 HG13 VAL 27 18.096 8.896 3.635
199 HG21 VAL 27 HG21 VAL 27 19.521 9.493 6.862
200 HG22 VAL 27 HG22 VAL 27 18.181 8.908 7.847
201 HG23 VAL 27 HG23 VAL 27 19.327 7.764 7.150
202 H CYS 28 H CYS 28 15.450 7.157 5.624
203 HA CYS 28 HA CYS 28 13.839 7.356 8.037
204 HB2 CYS 28 HB2 CYS 28 13.896 5.317 5.805
205 HB3 CYS 28 HB3 CYS 28 12.807 5.236 7.185
206 H VAL 29 H VAL 29 14.015 6.061 9.813
207 HA VAL 29 HA VAL 29 15.917 3.863 9.835
208 HB VAL 29 HB VAL 29 17.109 4.705 11.820
209 HG11 VAL 29 HG11 VAL 29 17.252 6.559 9.444
210 HG12 VAL 29 HG12 VAL 29 18.507 6.342 10.666
211 HG13 VAL 29 HG13 VAL 29 18.077 5.007 9.596
212 HG21 VAL 29 HG21 VAL 29 15.345 7.082 11.369
213 HG22 VAL 29 HG22 VAL 29 15.686 6.215 12.867
214 HG23 VAL 29 HG23 VAL 29 16.914 7.261 12.154
215 H LYS 30 H LYS 30 15.937 2.800 12.057
216 HA LYS 30 HA LYS 30 13.265 2.188 12.786
217 HB2 LYS 30 HB2 LYS 30 15.459 0.759 12.942
218 HB3 LYS 30 HB3 LYS 30 15.598 1.496 14.533
219 HG2 LYS 30 HG2 LYS 30 13.631 0.490 15.299
220 HG3 LYS 30 HG3 LYS 30 13.094 0.095 13.665
221 HD2 LYS 30 HD2 LYS 30 13.893 -1.898 14.811
222 HD3 LYS 30 HD3 LYS 30 14.945 -1.501 13.450
223 HE2 LYS 30 HE2 LYS 30 15.707 -0.304 16.028
224 HE3 LYS 30 HE3 LYS 30 15.821 -2.062 15.952
225 HZ1 LYS 30 HZ1 LYS 30 17.596 -0.172 14.913
226 HZ2 LYS 30 HZ2 LYS 30 16.912 -0.994 13.602
227 HZ3 LYS 30 HZ3 LYS 30 17.699 -1.858 14.826
228 H GLY 31 H GLY 31 11.968 3.106 14.241
229 HA2 GLY 31 HA2 GLY 31 13.177 4.693 16.406
230 HA3 GLY 31 HA3 GLY 31 11.930 5.410 15.397
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.195 1.124 -0.090
2 HA2 GLY 1 HA2 GLY 1 1.809 -0.747 -2.285
3 HA3 GLY 1 HA3 GLY 1 2.099 0.986 -2.326
4 H TYR 2 H TYR 2 3.878 1.850 -1.181
5 HA TYR 2 HA TYR 2 5.695 0.175 0.251
6 HB2 TYR 2 HB2 TYR 2 6.121 -0.491 -2.137
7 HB3 TYR 2 HB3 TYR 2 6.641 1.162 -2.444
8 HD1 TYR 2 HD1 TYR 2 7.481 -1.997 -0.788
9 HD2 TYR 2 HD2 TYR 2 8.755 1.983 -1.587
10 HE1 TYR 2 HE1 TYR 2 9.753 -2.582 -0.050
11 HE2 TYR 2 HE2 TYR 2 11.031 1.409 -0.852
12 HH TYR 2 HH TYR 2 11.974 -1.871 -0.184
13 H CYS 3 H CYS 3 6.553 1.455 1.735
14 HA CYS 3 HA CYS 3 6.712 4.334 1.209
15 HB2 CYS 3 HB2 CYS 3 7.263 3.252 3.921
16 HB3 CYS 3 HB3 CYS 3 6.377 4.697 3.443
17 H ALA 4 H ALA 4 8.588 5.200 2.915
18 HA ALA 4 HA ALA 4 11.037 4.269 1.660
19 HB1 ALA 4 HB1 ALA 4 10.935 6.591 1.677
20 HB2 ALA 4 HB2 ALA 4 10.317 6.650 3.328
21 HB3 ALA 4 HB3 ALA 4 12.003 6.226 3.032
22 H THR 5 H THR 5 11.995 2.556 2.544
23 HA THR 5 HA THR 5 11.761 1.983 5.370
24 HB THR 5 HB THR 5 13.392 0.067 4.682
25 HG1 THR 5 HG1 THR 5 13.831 -0.075 2.614
26 HG21 THR 5 HG21 THR 5 11.080 -0.681 3.239
27 HG22 THR 5 HG22 THR 5 10.555 0.399 4.531
28 HG23 THR 5 HG23 THR 5 11.481 -1.052 4.916
29 H LYS 6 H LYS 6 13.903 1.159 6.429
30 HA LYS 6 HA LYS 6 15.489 3.292 7.075
31 HB2 LYS 6 HB2 LYS 6 15.446 1.159 8.314
32 HB3 LYS 6 HB3 LYS 6 16.350 0.393 7.015
33 HG2 LYS 6 HG2 LYS 6 17.797 2.687 7.806
34 HG3 LYS 6 HG3 LYS 6 17.325 1.821 9.270
35 HD2 LYS 6 HD2 LYS 6 18.265 -0.247 8.326
36 HD3 LYS 6 HD3 LYS 6 18.768 0.649 6.891
37 HE2 LYS 6 HE2 LYS 6 19.772 2.107 9.044
38 HE3 LYS 6 HE3 LYS 6 20.052 0.420 9.470
39 HZ1 LYS 6 HZ1 LYS 6 20.739 0.761 6.784
40 HZ2 LYS 6 HZ2 LYS 6 21.758 0.397 8.084
41 HZ3 LYS 6 HZ3 LYS 6 21.475 2.009 7.657
42 H GLY 7 H GLY 7 17.193 4.340 6.222
43 HA2 GLY 7 HA2 GLY 7 19.170 4.529 4.934
44 HA3 GLY 7 HA3 GLY 7 18.689 3.100 4.031
45 H ILE 8 H ILE 8 15.916 4.320 3.797
46 HA ILE 8 HA ILE 8 16.458 5.736 1.329
47 HB ILE 8 HB ILE 8 13.762 5.161 2.555
48 HG12 ILE 8 HG12 ILE 8 15.085 3.083 2.300
49 HG13 ILE 8 HG13 ILE 8 13.700 3.131 1.214
50 HG21 ILE 8 HG21 ILE 8 13.677 6.808 0.806
51 HG22 ILE 8 HG22 ILE 8 14.648 5.789 -0.255
52 HG23 ILE 8 HG23 ILE 8 13.017 5.291 0.193
53 HD11 ILE 8 HD11 ILE 8 16.041 2.344 0.371
54 HD12 ILE 8 HD12 ILE 8 15.004 3.337 -0.654
55 HD13 ILE 8 HD13 ILE 8 16.342 4.075 0.226
56 H LYS 9 H LYS 9 16.293 7.869 0.997
57 HA LYS 9 HA LYS 9 16.357 9.725 3.035
58 HB2 LYS 9 HB2 LYS 9 15.341 10.180 0.223
59 HB3 LYS 9 HB3 LYS 9 15.913 11.424 1.328
60 HG2 LYS 9 HG2 LYS 9 17.767 9.197 0.719
61 HG3 LYS 9 HG3 LYS 9 17.449 10.369 -0.562
62 HD2 LYS 9 HD2 LYS 9 17.963 12.161 1.178
63 HD3 LYS 9 HD3 LYS 9 18.612 10.852 2.169
64 HE2 LYS 9 HE2 LYS 9 20.487 10.745 0.964
65 HE3 LYS 9 HE3 LYS 9 19.601 10.766 -0.559
66 HZ1 LYS 9 HZ1 LYS 9 20.080 12.898 -0.844
67 HZ2 LYS 9 HZ2 LYS 9 21.140 12.790 0.469
68 HZ3 LYS 9 HZ3 LYS 9 19.549 13.313 0.708
69 H CYS 10 H CYS 10 14.884 10.994 4.091
70 HA CYS 10 HA CYS 10 12.042 10.377 3.611
71 HB2 CYS 10 HB2 CYS 10 11.610 10.289 5.894
72 HB3 CYS 10 HB3 CYS 10 13.193 9.526 5.787
73 H ASN 11 H ASN 11 14.091 12.642 2.915
74 HA ASN 11 HA ASN 11 13.222 15.003 4.154
75 HB2 ASN 11 HB2 ASN 11 14.473 16.148 2.553
76 HB3 ASN 11 HB3 ASN 11 15.260 14.573 2.596
77 HD21 ASN 11 HD21 ASN 11 14.591 13.010 0.953
78 HD22 ASN 11 HD22 ASN 11 14.160 13.594 -0.615
79 H ASP 12 H ASP 12 11.929 13.166 1.473
80 HA ASP 12 HA ASP 12 9.691 15.077 1.316
81 HB2 ASP 12 HB2 ASP 12 11.310 14.878 -0.714
82 HB3 ASP 12 HB3 ASP 12 10.485 13.349 -1.008
83 H ILE 13 H ILE 13 10.545 11.714 0.479
84 HA ILE 13 HA ILE 13 7.836 10.819 0.708
85 HB ILE 13 HB ILE 13 9.499 9.736 -0.788
86 HG12 ILE 13 HG12 ILE 13 8.825 7.411 -0.261
87 HG13 ILE 13 HG13 ILE 13 8.265 7.947 1.319
88 HG21 ILE 13 HG21 ILE 13 11.190 8.278 0.086
89 HG22 ILE 13 HG22 ILE 13 11.393 9.869 0.818
90 HG23 ILE 13 HG23 ILE 13 10.646 8.564 1.739
91 HD11 ILE 13 HD11 ILE 13 7.074 9.533 -0.756
92 HD12 ILE 13 HD12 ILE 13 6.803 7.815 -1.047
93 HD13 ILE 13 HD13 ILE 13 6.307 8.539 0.483
94 H HIS 14 H HIS 14 6.900 9.560 2.305
95 HA HIS 14 HA HIS 14 8.144 9.809 4.938
96 HB2 HIS 14 HB2 HIS 14 5.338 9.322 3.988
97 HB3 HIS 14 HB3 HIS 14 5.793 8.941 5.646
98 HD1 HIS 14 HD1 HIS 14 3.908 11.344 4.347
99 HD2 HIS 14 HD2 HIS 14 7.576 11.629 6.276
100 HE1 HIS 14 HE1 HIS 14 4.028 13.700 5.217
101 H CYS 15 H CYS 15 8.189 8.025 6.416
102 HA CYS 15 HA CYS 15 8.786 5.515 5.065
103 HB2 CYS 15 HB2 CYS 15 9.064 5.882 8.021
104 HB3 CYS 15 HB3 CYS 15 10.062 4.945 6.912
105 H CYS 16 H CYS 16 7.962 3.483 5.824
106 HA CYS 16 HA CYS 16 5.166 3.474 6.188
107 HB2 CYS 16 HB2 CYS 16 7.318 1.439 6.071
108 HB3 CYS 16 HB3 CYS 16 5.833 0.954 6.883
109 H SER 17 H SER 17 3.931 2.673 7.966
110 HA SER 17 HA SER 17 4.449 3.845 10.405
111 HB2 SER 17 HB2 SER 17 2.791 1.364 9.886
112 HB3 SER 17 HB3 SER 17 2.694 2.375 11.327
113 HG SER 17 HG SER 17 1.450 3.677 10.263
114 H GLY 18 H GLY 18 6.111 3.515 11.723
115 HA2 GLY 18 HA2 GLY 18 6.806 1.768 13.434
116 HA3 GLY 18 HA3 GLY 18 7.129 0.761 12.030
117 H LEU 19 H LEU 19 8.030 3.363 10.653
118 HA LEU 19 HA LEU 19 10.747 3.331 11.786
119 HB2 LEU 19 HB2 LEU 19 9.788 3.877 8.983
120 HB3 LEU 19 HB3 LEU 19 11.451 4.111 9.518
121 HG LEU 19 HG LEU 19 10.022 1.457 9.577
122 HD11 LEU 19 HD11 LEU 19 10.234 2.272 7.278
123 HD12 LEU 19 HD12 LEU 19 11.287 0.891 7.582
124 HD13 LEU 19 HD13 LEU 19 11.962 2.520 7.528
125 HD21 LEU 19 HD21 LEU 19 12.980 1.940 9.618
126 HD22 LEU 19 HD22 LEU 19 12.078 0.509 10.119
127 HD23 LEU 19 HD23 LEU 19 12.030 1.972 11.104
128 H LYS 20 H LYS 20 11.938 5.300 11.852
129 HA LYS 20 HA LYS 20 10.208 7.657 12.139
130 HB2 LYS 20 HB2 LYS 20 12.767 6.797 13.431
131 HB3 LYS 20 HB3 LYS 20 12.382 8.511 13.345
132 HG2 LYS 20 HG2 LYS 20 10.549 8.304 14.740
133 HG3 LYS 20 HG3 LYS 20 10.383 6.574 14.431
134 HD2 LYS 20 HD2 LYS 20 11.465 6.249 16.355
135 HD3 LYS 20 HD3 LYS 20 12.916 6.822 15.530
136 HE2 LYS 20 HE2 LYS 20 10.969 8.682 16.871
137 HE3 LYS 20 HE3 LYS 20 12.327 7.952 17.727
138 HZ1 LYS 20 HZ1 LYS 20 13.356 9.814 17.034
139 HZ2 LYS 20 HZ2 LYS 20 12.314 10.057 15.724
140 HZ3 LYS 20 HZ3 LYS 20 13.575 8.935 15.605
141 H CYS 21 H CYS 21 10.791 9.648 11.245
142 HA CYS 21 HA CYS 21 12.508 9.430 8.891
143 HB2 CYS 21 HB2 CYS 21 10.359 10.328 8.393
144 HB3 CYS 21 HB3 CYS 21 10.438 11.450 9.747
145 H ASP 22 H ASP 22 14.573 9.606 9.699
146 HA ASP 22 HA ASP 22 15.439 11.417 11.648
147 HB2 ASP 22 HB2 ASP 22 16.628 9.365 10.468
148 HB3 ASP 22 HB3 ASP 22 17.286 10.632 9.436
149 H SER 23 H SER 23 14.919 13.524 11.445
150 HA SER 23 HA SER 23 14.993 14.918 8.950
151 HB2 SER 23 HB2 SER 23 13.568 15.413 11.078
152 HB3 SER 23 HB3 SER 23 14.992 16.304 11.615
153 HG SER 23 HG SER 23 13.622 16.724 9.163
154 H LYS 24 H LYS 24 17.356 14.029 11.183
155 HA LYS 24 HA LYS 24 19.111 16.283 10.700
156 HB2 LYS 24 HB2 LYS 24 19.424 15.476 12.848
157 HB3 LYS 24 HB3 LYS 24 19.242 13.797 12.357
158 HG2 LYS 24 HG2 LYS 24 21.436 13.809 11.354
159 HG3 LYS 24 HG3 LYS 24 21.618 15.529 11.706
160 HD2 LYS 24 HD2 LYS 24 21.442 15.018 14.118
161 HD3 LYS 24 HD3 LYS 24 21.357 13.299 13.724
162 HE2 LYS 24 HE2 LYS 24 23.566 13.352 12.779
163 HE3 LYS 24 HE3 LYS 24 23.646 15.104 12.955
164 HZ1 LYS 24 HZ1 LYS 24 24.864 13.881 14.696
165 HZ2 LYS 24 HZ2 LYS 24 23.406 13.206 15.225
166 HZ3 LYS 24 HZ3 LYS 24 23.649 14.877 15.323
167 H ARG 25 H ARG 25 18.921 12.860 9.811
168 HA ARG 25 HA ARG 25 21.172 13.230 7.968
169 HB2 ARG 25 HB2 ARG 25 19.789 10.654 8.731
170 HB3 ARG 25 HB3 ARG 25 21.308 10.824 7.861
171 HG2 ARG 25 HG2 ARG 25 22.204 11.971 9.936
172 HG3 ARG 25 HG3 ARG 25 20.750 11.395 10.753
173 HD2 ARG 25 HD2 ARG 25 22.031 9.285 9.244
174 HD3 ARG 25 HD3 ARG 25 23.139 10.011 10.408
175 HE ARG 25 HE ARG 25 20.553 9.356 11.492
176 HH11 ARG 25 HH11 ARG 25 23.770 8.205 10.821
177 HH12 ARG 25 HH12 ARG 25 23.721 6.969 12.034
178 HH21 ARG 25 HH21 ARG 25 20.477 7.732 13.092
179 HH22 ARG 25 HH22 ARG 25 21.848 6.700 13.324
180 H LYS 26 H LYS 26 17.962 13.637 7.887
181 HA LYS 26 HA LYS 26 16.338 13.604 6.288
182 HB2 LYS 26 HB2 LYS 26 18.729 13.695 4.439
183 HB3 LYS 26 HB3 LYS 26 17.078 14.117 4.004
184 HG2 LYS 26 HG2 LYS 26 17.122 15.973 5.576
185 HG3 LYS 26 HG3 LYS 26 18.764 15.539 6.055
186 HD2 LYS 26 HD2 LYS 26 19.226 15.755 3.476
187 HD3 LYS 26 HD3 LYS 26 17.781 16.768 3.522
188 HE2 LYS 26 HE2 LYS 26 19.039 18.459 4.220
189 HE3 LYS 26 HE3 LYS 26 19.377 17.559 5.698
190 HZ1 LYS 26 HZ1 LYS 26 21.315 16.627 4.723
191 HZ2 LYS 26 HZ2 LYS 26 21.379 18.295 4.450
192 HZ3 LYS 26 HZ3 LYS 26 20.939 17.249 3.195
193 H VAL 27 H VAL 27 16.895 11.087 7.264
194 HA VAL 27 HA VAL 27 16.107 9.452 4.995
195 HB VAL 27 HB VAL 27 17.733 7.643 5.656
196 HG11 VAL 27 HG11 VAL 27 19.623 8.648 4.417
197 HG12 VAL 27 HG12 VAL 27 18.065 8.917 3.633
198 HG13 VAL 27 HG13 VAL 27 18.833 10.220 4.541
199 HG21 VAL 27 HG21 VAL 27 18.236 9.103 7.839
200 HG22 VAL 27 HG22 VAL 27 19.401 7.966 7.161
201 HG23 VAL 27 HG23 VAL 27 19.539 9.687 6.803
202 H CYS 28 H CYS 28 15.415 7.251 5.703
203 HA CYS 28 HA CYS 28 13.869 7.487 8.142
204 HB2 CYS 28 HB2 CYS 28 13.967 5.310 6.043
205 HB3 CYS 28 HB3 CYS 28 12.850 5.344 7.403
206 H VAL 29 H VAL 29 14.074 6.247 9.962
207 HA VAL 29 HA VAL 29 16.240 4.268 10.049
208 HB VAL 29 HB VAL 29 16.856 5.165 12.336
209 HG11 VAL 29 HG11 VAL 29 17.913 5.660 9.926
210 HG12 VAL 29 HG12 VAL 29 17.513 7.310 10.411
211 HG13 VAL 29 HG13 VAL 29 18.572 6.324 11.421
212 HG21 VAL 29 HG21 VAL 29 15.366 7.592 11.341
213 HG22 VAL 29 HG22 VAL 29 14.859 6.549 12.670
214 HG23 VAL 29 HG23 VAL 29 16.339 7.498 12.809
215 H LYS 30 H LYS 30 16.187 3.106 12.256
216 HA LYS 30 HA LYS 30 13.626 1.916 12.537
217 HB2 LYS 30 HB2 LYS 30 15.990 0.923 12.978
218 HB3 LYS 30 HB3 LYS 30 15.808 1.628 14.578
219 HG2 LYS 30 HG2 LYS 30 13.952 0.266 15.080
220 HG3 LYS 30 HG3 LYS 30 13.767 -0.229 13.396
221 HD2 LYS 30 HD2 LYS 30 16.343 -0.818 14.764
222 HD3 LYS 30 HD3 LYS 30 14.932 -1.793 15.183
223 HE2 LYS 30 HE2 LYS 30 14.841 -1.701 12.432
224 HE3 LYS 30 HE3 LYS 30 16.568 -1.798 12.770
225 HZ1 LYS 30 HZ1 LYS 30 15.207 -3.957 12.546
226 HZ2 LYS 30 HZ2 LYS 30 14.695 -3.624 14.124
227 HZ3 LYS 30 HZ3 LYS 30 16.341 -3.835 13.796
228 H GLY 31 H GLY 31 12.191 1.952 14.293
229 HA2 GLY 31 HA2 GLY 31 12.592 4.149 16.220
230 HA3 GLY 31 HA3 GLY 31 11.078 3.996 15.341