Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
492416 | 2k9o RC | 15992 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ALA 1 H1 ALA 1 -8.066 -10.980 3.707
2 H2 ALA 1 H2 ALA 1 -8.850 -9.684 3.035
3 H3 ALA 1 H3 ALA 1 -9.435 -10.407 4.400
4 HA ALA 1 HA ALA 1 -8.377 -8.317 4.884
5 HB1 ALA 1 HB1 ALA 1 -8.413 -10.054 6.627
6 HB2 ALA 1 HB2 ALA 1 -6.913 -10.750 5.970
7 HB3 ALA 1 HB3 ALA 1 -6.895 -9.141 6.689
8 H ALA 2 H ALA 2 -6.573 -6.962 4.846
9 HA ALA 2 HA ALA 2 -4.026 -7.982 3.914
10 HB1 ALA 2 HB1 ALA 2 -5.478 -7.257 1.794
11 HB2 ALA 2 HB2 ALA 2 -4.914 -5.643 2.290
12 HB3 ALA 2 HB3 ALA 2 -3.750 -6.920 1.916
13 H ALA 3 H ALA 3 -2.395 -5.983 3.759
14 HA ALA 3 HA ALA 3 -2.410 -5.272 6.489
15 HB1 ALA 3 HB1 ALA 3 -0.349 -4.669 4.331
16 HB2 ALA 3 HB2 ALA 3 -0.057 -4.619 6.083
17 HB3 ALA 3 HB3 ALA 3 -0.438 -6.158 5.302
18 H ILE 4 H ILE 4 -3.630 -3.281 4.102
19 HA ILE 4 HA ILE 4 -3.757 -1.082 6.015
20 HB ILE 4 HB ILE 4 -3.188 0.627 4.390
21 HG12 ILE 4 HG12 ILE 4 -1.631 -1.203 2.638
22 HG13 ILE 4 HG13 ILE 4 -3.359 -1.285 2.424
23 HG21 ILE 4 HG21 ILE 4 -0.781 0.562 4.502
24 HG22 ILE 4 HG22 ILE 4 -1.482 -0.017 6.022
25 HG23 ILE 4 HG23 ILE 4 -0.798 -1.175 4.855
26 HD11 ILE 4 HD11 ILE 4 -1.699 1.218 2.147
27 HD12 ILE 4 HD12 ILE 4 -2.572 0.332 0.876
28 HD13 ILE 4 HD13 ILE 4 -3.477 1.192 2.118
29 H SER 5 H SER 5 -5.362 0.515 5.456
30 HA SER 5 HA SER 5 -7.481 -0.345 3.586
31 HB2 SER 5 HB2 SER 5 -7.229 2.063 5.400
32 HB3 SER 5 HB3 SER 5 -8.590 1.765 4.288
33 HG SER 5 HG SER 5 -9.093 0.898 6.292
34 H CYS 6 H CYS 6 -7.391 0.048 1.508
35 HA CYS 6 HA CYS 6 -5.219 1.539 0.304
36 HB2 CYS 6 HB2 CYS 6 -6.320 -0.492 -0.585
37 HB3 CYS 6 HB3 CYS 6 -7.774 0.452 -0.914
38 H VAL 7 H VAL 7 -8.624 2.270 0.872
39 HA VAL 7 HA VAL 7 -9.048 4.569 -0.629
40 HB VAL 7 HB VAL 7 -10.898 5.009 0.996
41 HG11 VAL 7 HG11 VAL 7 -10.643 2.086 0.186
42 HG12 VAL 7 HG12 VAL 7 -12.134 2.990 0.538
43 HG13 VAL 7 HG13 VAL 7 -11.157 3.424 -0.869
44 HG21 VAL 7 HG21 VAL 7 -9.866 2.575 2.533
45 HG22 VAL 7 HG22 VAL 7 -9.804 4.258 3.120
46 HG23 VAL 7 HG23 VAL 7 -11.355 3.479 2.823
47 H GLY 8 H GLY 8 -7.077 4.551 2.192
48 HA2 GLY 8 HA2 GLY 8 -7.746 6.685 3.711
49 HA3 GLY 8 HA3 GLY 8 -6.088 6.216 3.365
50 H SER 9 H SER 9 -4.947 7.249 1.630
51 HA SER 9 HA SER 9 -6.049 9.716 0.461
52 HB2 SER 9 HB2 SER 9 -3.957 9.722 2.609
53 HB3 SER 9 HB3 SER 9 -3.761 10.848 1.229
54 HG SER 9 HG SER 9 -5.004 12.008 2.460
55 HA PRO 10 HA PRO 10 -2.341 8.192 -2.091
56 HB2 PRO 10 HB2 PRO 10 -0.380 6.634 -1.111
57 HB3 PRO 10 HB3 PRO 10 -0.393 8.393 -0.732
58 HG2 PRO 10 HG2 PRO 10 -1.473 6.106 0.937
59 HG3 PRO 10 HG3 PRO 10 -0.331 7.381 1.478
60 HD2 PRO 10 HD2 PRO 10 -3.045 7.522 1.906
61 HD3 PRO 10 HD3 PRO 10 -2.060 8.978 1.551
62 H GLU 11 H GLU 11 -1.923 5.966 -3.210
63 HA GLU 11 HA GLU 11 -4.083 4.097 -2.731
64 HB2 GLU 11 HB2 GLU 11 -1.569 3.827 -4.408
65 HB3 GLU 11 HB3 GLU 11 -2.857 2.631 -4.345
66 HG2 GLU 11 HG2 GLU 11 -4.468 4.131 -5.294
67 HG3 GLU 11 HG3 GLU 11 -3.401 5.521 -5.127
68 H CYS 12 H CYS 12 -0.507 3.369 -2.384
69 HA CYS 12 HA CYS 12 -1.222 1.816 0.024
70 HB2 CYS 12 HB2 CYS 12 -1.975 0.370 -1.697
71 HB3 CYS 12 HB3 CYS 12 -0.459 0.474 -2.567
72 HA PRO 13 HA PRO 13 3.293 0.742 -0.086
73 HB2 PRO 13 HB2 PRO 13 5.060 2.193 -1.721
74 HB3 PRO 13 HB3 PRO 13 4.464 0.532 -1.957
75 HG2 PRO 13 HG2 PRO 13 3.474 3.081 -3.211
76 HG3 PRO 13 HG3 PRO 13 3.585 1.446 -3.927
77 HD2 PRO 13 HD2 PRO 13 1.227 2.480 -3.044
78 HD3 PRO 13 HD3 PRO 13 1.618 0.755 -2.881
79 HA PRO 14 HA PRO 14 4.811 4.945 1.591
80 HB2 PRO 14 HB2 PRO 14 3.500 7.271 1.213
81 HB3 PRO 14 HB3 PRO 14 4.584 6.588 -0.036
82 HG2 PRO 14 HG2 PRO 14 1.574 6.296 0.163
83 HG3 PRO 14 HG3 PRO 14 2.523 6.856 -1.256
84 HD2 PRO 14 HD2 PRO 14 1.701 4.274 -0.988
85 HD3 PRO 14 HD3 PRO 14 3.298 4.683 -1.701
86 H LYS 15 H LYS 15 1.769 3.584 1.853
87 HA LYS 15 HA LYS 15 1.123 4.836 4.487
88 HB2 LYS 15 HB2 LYS 15 -0.535 4.681 2.539
89 HB3 LYS 15 HB3 LYS 15 -0.588 2.949 2.858
90 HG2 LYS 15 HG2 LYS 15 -1.294 3.513 5.244
91 HG3 LYS 15 HG3 LYS 15 -1.389 5.207 4.741
92 HD2 LYS 15 HD2 LYS 15 -3.030 2.873 3.673
93 HD3 LYS 15 HD3 LYS 15 -3.595 4.153 4.728
94 HE2 LYS 15 HE2 LYS 15 -4.127 5.457 3.029
95 HE3 LYS 15 HE3 LYS 15 -2.481 5.436 2.431
96 HZ1 LYS 15 HZ1 LYS 15 -4.528 3.371 1.797
97 HZ2 LYS 15 HZ2 LYS 15 -4.081 4.567 0.759
98 HZ3 LYS 15 HZ3 LYS 15 -3.021 3.432 1.129
99 H CYS 16 H CYS 16 2.265 1.829 3.049
100 HA CYS 16 HA CYS 16 1.791 0.092 5.291
101 HB2 CYS 16 HB2 CYS 16 3.826 0.039 3.028
102 HB3 CYS 16 HB3 CYS 16 3.618 -1.278 4.184
103 H ARG 17 H ARG 17 4.378 2.394 4.634
104 HA ARG 17 HA ARG 17 5.176 2.562 7.389
105 HB2 ARG 17 HB2 ARG 17 7.557 2.124 7.047
106 HB3 ARG 17 HB3 ARG 17 6.591 0.670 6.735
107 HG2 ARG 17 HG2 ARG 17 6.821 0.994 4.304
108 HG3 ARG 17 HG3 ARG 17 7.657 2.528 4.568
109 HD2 ARG 17 HD2 ARG 17 9.230 0.835 3.983
110 HD3 ARG 17 HD3 ARG 17 9.531 1.400 5.627
111 HE ARG 17 HE ARG 17 7.807 -0.917 5.666
112 HH11 ARG 17 HH11 ARG 17 11.243 -0.234 5.198
113 HH12 ARG 17 HH12 ARG 17 11.661 -1.613 6.217
114 HH21 ARG 17 HH21 ARG 17 8.418 -2.694 6.499
115 HH22 ARG 17 HH22 ARG 17 10.105 -3.185 6.584
116 H ALA 18 H ALA 18 6.819 4.277 7.656
117 HA ALA 18 HA ALA 18 5.882 6.671 6.521
118 HB1 ALA 18 HB1 ALA 18 6.881 6.426 8.753
119 HB2 ALA 18 HB2 ALA 18 8.454 6.034 8.028
120 HB3 ALA 18 HB3 ALA 18 7.756 7.664 7.826
121 H GLN 19 H GLN 19 9.027 5.072 5.856
122 HA GLN 19 HA GLN 19 9.695 6.950 3.698
123 HB2 GLN 19 HB2 GLN 19 11.710 5.708 3.435
124 HB3 GLN 19 HB3 GLN 19 11.468 6.209 5.099
125 HG2 GLN 19 HG2 GLN 19 10.645 3.420 4.197
126 HG3 GLN 19 HG3 GLN 19 12.318 3.829 4.538
127 HE21 GLN 19 HE22 GLN 19 12.963 4.330 6.760
128 HE22 GLN 19 HE21 GLN 19 11.866 3.968 8.088
129 H GLY 20 H GLY 20 7.484 4.616 3.753
130 HA2 GLY 20 HA2 GLY 20 6.293 3.516 2.245
131 HA3 GLY 20 HA3 GLY 20 7.196 4.281 0.929
132 H CYS 21 H CYS 21 6.068 1.604 1.259
133 HA CYS 21 HA CYS 21 8.358 -0.239 1.243
134 HB2 CYS 21 HB2 CYS 21 5.387 -0.504 0.766
135 HB3 CYS 21 HB3 CYS 21 6.475 -1.780 0.255
136 H LYS 22 H LYS 22 8.733 -1.645 -0.619
137 HA LYS 22 HA LYS 22 9.716 -0.060 -2.796
138 HB2 LYS 22 HB2 LYS 22 9.503 -3.041 -2.280
139 HB3 LYS 22 HB3 LYS 22 10.244 -2.390 -3.738
140 HG2 LYS 22 HG2 LYS 22 11.936 -3.022 -2.149
141 HG3 LYS 22 HG3 LYS 22 11.987 -1.284 -2.429
142 HD2 LYS 22 HD2 LYS 22 11.025 -0.816 -0.283
143 HD3 LYS 22 HD3 LYS 22 10.605 -2.519 -0.007
144 HE2 LYS 22 HE2 LYS 22 13.487 -1.700 -0.466
145 HE3 LYS 22 HE3 LYS 22 12.766 -1.398 1.113
146 HZ1 LYS 22 HZ1 LYS 22 12.531 -3.664 1.515
147 HZ2 LYS 22 HZ2 LYS 22 12.590 -4.086 -0.067
148 HZ3 LYS 22 HZ3 LYS 22 13.964 -3.594 0.709
149 H ASN 23 H ASN 23 7.022 -2.439 -2.680
150 HA ASN 23 HA ASN 23 5.530 -0.835 -4.617
151 HB2 ASN 23 HB2 ASN 23 6.988 -2.463 -5.979
152 HB3 ASN 23 HB3 ASN 23 6.085 -3.771 -5.245
153 HD21 ASN 23 HD22 ASN 23 5.874 -3.996 -7.782
154 HD22 ASN 23 HD21 ASN 23 4.283 -3.401 -8.298
155 H GLY 24 H GLY 24 3.277 -2.093 -4.975
156 HA2 GLY 24 HA2 GLY 24 2.441 -3.981 -2.978
157 HA3 GLY 24 HA3 GLY 24 1.746 -2.381 -2.676
158 H LYS 25 H LYS 25 0.024 -4.360 -3.132
159 HA LYS 25 HA LYS 25 -1.195 -3.637 -5.754
160 HB2 LYS 25 HB2 LYS 25 -0.035 -5.756 -6.087
161 HB3 LYS 25 HB3 LYS 25 -0.874 -6.456 -4.699
162 HG2 LYS 25 HG2 LYS 25 -1.836 -7.280 -6.716
163 HG3 LYS 25 HG3 LYS 25 -3.033 -6.265 -5.926
164 HD2 LYS 25 HD2 LYS 25 -2.787 -4.533 -7.546
165 HD3 LYS 25 HD3 LYS 25 -1.232 -5.170 -8.130
166 HE2 LYS 25 HE2 LYS 25 -2.243 -7.051 -9.174
167 HE3 LYS 25 HE3 LYS 25 -3.762 -6.843 -8.303
168 HZ1 LYS 25 HZ1 LYS 25 -2.808 -4.927 -10.358
169 HZ2 LYS 25 HZ2 LYS 25 -3.865 -6.157 -10.624
170 HZ3 LYS 25 HZ3 LYS 25 -4.273 -4.936 -9.596
171 H CYS 26 H CYS 26 -3.068 -2.817 -5.418
172 HA CYS 26 HA CYS 26 -4.732 -3.568 -3.079
173 HB2 CYS 26 HB2 CYS 26 -4.111 -1.288 -2.988
174 HB3 CYS 26 HB3 CYS 26 -4.365 -1.048 -4.707
175 H MET 27 H MET 27 -6.564 -4.676 -3.410
176 HA MET 27 HA MET 27 -7.519 -5.022 -6.233
177 HB2 MET 27 HB2 MET 27 -7.987 -6.845 -3.850
178 HB3 MET 27 HB3 MET 27 -8.538 -7.106 -5.493
179 HG2 MET 27 HG2 MET 27 -5.616 -6.880 -4.672
180 HG3 MET 27 HG3 MET 27 -6.482 -8.393 -4.864
181 HE1 MET 27 HE1 MET 27 -6.864 -9.639 -6.968
182 HE2 MET 27 HE2 MET 27 -8.119 -8.453 -7.391
183 HE3 MET 27 HE3 MET 27 -6.906 -8.934 -8.593
184 H ASN 28 H ASN 28 -8.976 -5.014 -2.936
185 HA ASN 28 HA ASN 28 -10.974 -3.040 -3.848
186 HB2 ASN 28 HB2 ASN 28 -11.917 -5.288 -4.393
187 HB3 ASN 28 HB3 ASN 28 -11.804 -5.713 -2.681
188 HD21 ASN 28 HD22 ASN 28 -14.226 -6.007 -3.498
189 HD22 ASN 28 HD21 ASN 28 -15.262 -4.615 -3.185
190 H ARG 29 H ARG 29 -10.966 -1.531 -2.376
191 HA ARG 29 HA ARG 29 -10.260 -0.244 -0.669
192 HB2 ARG 29 HB2 ARG 29 -11.423 -2.239 1.268
193 HB3 ARG 29 HB3 ARG 29 -11.405 -0.477 1.357
194 HG2 ARG 29 HG2 ARG 29 -13.077 -2.240 -0.407
195 HG3 ARG 29 HG3 ARG 29 -13.541 -1.295 0.997
196 HD2 ARG 29 HD2 ARG 29 -12.828 0.802 -0.332
197 HD3 ARG 29 HD3 ARG 29 -12.884 -0.254 -1.766
198 HE ARG 29 HE ARG 29 -15.164 0.595 -0.042
199 HH11 ARG 29 HH11 ARG 29 -14.369 -1.486 -2.773
200 HH12 ARG 29 HH12 ARG 29 -15.977 -1.317 -3.420
201 HH21 ARG 29 HH21 ARG 29 -17.113 0.372 -0.652
202 HH22 ARG 29 HH22 ARG 29 -17.554 -0.512 -2.116
203 H LYS 30 H LYS 30 -8.655 -3.198 -0.701
204 HA LYS 30 HA LYS 30 -6.937 -2.477 1.640
205 HB2 LYS 30 HB2 LYS 30 -8.076 -5.181 0.789
206 HB3 LYS 30 HB3 LYS 30 -6.912 -4.957 2.081
207 HG2 LYS 30 HG2 LYS 30 -9.736 -3.818 2.079
208 HG3 LYS 30 HG3 LYS 30 -9.180 -5.246 2.950
209 HD2 LYS 30 HD2 LYS 30 -7.574 -3.885 4.244
210 HD3 LYS 30 HD3 LYS 30 -8.112 -2.426 3.391
211 HE2 LYS 30 HE2 LYS 30 -10.380 -2.695 4.250
212 HE3 LYS 30 HE3 LYS 30 -9.884 -4.161 5.104
213 HZ1 LYS 30 HZ1 LYS 30 -9.777 -2.297 6.620
214 HZ2 LYS 30 HZ2 LYS 30 -8.226 -2.752 6.291
215 HZ3 LYS 30 HZ3 LYS 30 -8.875 -1.410 5.600
216 H CYS 31 H CYS 31 -4.781 -3.632 1.629
217 HA CYS 31 HA CYS 31 -3.818 -4.213 -1.113
218 HB2 CYS 31 HB2 CYS 31 -3.636 -1.715 -0.819
219 HB3 CYS 31 HB3 CYS 31 -2.602 -2.028 0.574
220 H LYS 32 H LYS 32 -2.000 -5.374 -1.267
221 HA LYS 32 HA LYS 32 -0.604 -6.332 1.208
222 HB2 LYS 32 HB2 LYS 32 -1.721 -8.073 -0.132
223 HB3 LYS 32 HB3 LYS 32 -0.805 -7.588 -1.566
224 HG2 LYS 32 HG2 LYS 32 1.310 -8.228 -0.496
225 HG3 LYS 32 HG3 LYS 32 0.473 -8.590 1.005
226 HD2 LYS 32 HD2 LYS 32 0.035 -10.097 -1.605
227 HD3 LYS 32 HD3 LYS 32 1.056 -10.626 -0.253
228 HE2 LYS 32 HE2 LYS 32 -1.069 -10.352 1.190
229 HE3 LYS 32 HE3 LYS 32 -1.952 -10.274 -0.347
230 HZ1 LYS 32 HZ1 LYS 32 -1.946 -12.523 0.440
231 HZ2 LYS 32 HZ2 LYS 32 -0.930 -12.508 -0.853
232 HZ3 LYS 32 HZ3 LYS 32 -0.342 -12.534 0.668
233 H CYS 33 H CYS 33 1.518 -5.806 1.450
234 HA CYS 33 HA CYS 33 2.735 -4.046 -0.644
235 HB2 CYS 33 HB2 CYS 33 2.716 -3.985 2.304
236 HB3 CYS 33 HB3 CYS 33 4.290 -3.691 1.574
237 H TYR 34 H TYR 34 4.682 -4.422 -1.562
238 HA TYR 34 HA TYR 34 5.727 -7.213 -1.286
239 HB2 TYR 34 HB2 TYR 34 5.557 -5.406 -3.712
240 HB3 TYR 34 HB3 TYR 34 6.211 -7.035 -3.697
241 HD1 TYR 34 HD1 TYR 34 3.992 -8.327 -1.903
242 HD2 TYR 34 HD2 TYR 34 3.949 -5.808 -5.427
243 HE1 TYR 34 HE1 TYR 34 1.852 -9.317 -2.599
244 HE2 TYR 34 HE2 TYR 34 1.820 -6.859 -6.128
245 HH TYR 34 HH TYR 34 0.203 -8.482 -5.626
246 H TYR 35 H TYR 35 7.793 -7.688 -1.858
247 HA TYR 35 HA TYR 35 10.005 -7.609 -1.402
248 HB2 TYR 35 HB2 TYR 35 9.908 -5.035 -2.971
249 HB3 TYR 35 HB3 TYR 35 11.254 -6.163 -2.872
250 HD1 TYR 35 HD2 TYR 35 10.772 -8.586 -3.833
251 HD2 TYR 35 HD1 TYR 35 8.448 -5.076 -4.742
252 HE1 TYR 35 HE2 TYR 35 9.895 -9.695 -5.891
253 HE2 TYR 35 HE1 TYR 35 7.558 -6.196 -6.796
254 HH TYR 35 HH TYR 35 7.594 -8.088 -8.114
255 H CYS 36 H CYS 36 8.480 -6.489 0.745
256 HA CYS 36 HA CYS 36 10.303 -4.428 1.920
257 HB2 CYS 36 HB2 CYS 36 8.385 -3.442 0.669
258 HB3 CYS 36 HB3 CYS 36 7.275 -4.326 1.704
Start of MODEL 2
1 H1 ALA 1 H1 ALA 1 4.524 -6.319 5.541
2 H2 ALA 1 H2 ALA 1 4.640 -6.066 7.170
3 H3 ALA 1 H3 ALA 1 5.476 -5.110 6.104
4 HA ALA 1 HA ALA 1 3.633 -3.923 6.980
5 HB1 ALA 1 HB1 ALA 1 2.618 -3.225 4.850
6 HB2 ALA 1 HB2 ALA 1 4.364 -3.447 4.683
7 HB3 ALA 1 HB3 ALA 1 3.255 -4.673 4.044
8 H ALA 2 H ALA 2 0.935 -3.991 5.696
9 HA ALA 2 HA ALA 2 -0.268 -6.479 6.687
10 HB1 ALA 2 HB1 ALA 2 -0.903 -3.684 7.780
11 HB2 ALA 2 HB2 ALA 2 -1.786 -5.181 8.179
12 HB3 ALA 2 HB3 ALA 2 -0.099 -4.976 8.687
13 H ALA 3 H ALA 3 -2.729 -6.371 6.090
14 HA ALA 3 HA ALA 3 -3.008 -4.982 3.509
15 HB1 ALA 3 HB1 ALA 3 -3.988 -7.174 3.728
16 HB2 ALA 3 HB2 ALA 3 -5.098 -6.536 4.979
17 HB3 ALA 3 HB3 ALA 3 -5.164 -5.889 3.331
18 H ILE 4 H ILE 4 -3.420 -2.999 3.352
19 HA ILE 4 HA ILE 4 -4.725 -1.407 5.483
20 HB ILE 4 HB ILE 4 -3.629 0.467 4.251
21 HG12 ILE 4 HG12 ILE 4 -2.217 -1.623 2.551
22 HG13 ILE 4 HG13 ILE 4 -3.693 -0.835 1.993
23 HG21 ILE 4 HG21 ILE 4 -1.359 -0.083 4.958
24 HG22 ILE 4 HG22 ILE 4 -2.506 -0.779 6.105
25 HG23 ILE 4 HG23 ILE 4 -1.731 -1.827 4.905
26 HD11 ILE 4 HD11 ILE 4 -1.251 0.704 2.806
27 HD12 ILE 4 HD12 ILE 4 -1.613 0.172 1.161
28 HD13 ILE 4 HD13 ILE 4 -2.708 1.328 1.964
29 H SER 5 H SER 5 -5.945 0.490 4.780
30 HA SER 5 HA SER 5 -8.037 -0.106 2.788
31 HB2 SER 5 HB2 SER 5 -7.488 2.435 4.383
32 HB3 SER 5 HB3 SER 5 -8.917 2.094 3.395
33 HG SER 5 HG SER 5 -9.268 0.244 4.751
34 H CYS 6 H CYS 6 -7.418 -0.006 0.683
35 HA CYS 6 HA CYS 6 -5.309 1.575 -0.465
36 HB2 CYS 6 HB2 CYS 6 -6.415 -0.415 -1.474
37 HB3 CYS 6 HB3 CYS 6 -7.879 0.522 -1.694
38 H VAL 7 H VAL 7 -8.797 2.170 -0.185
39 HA VAL 7 HA VAL 7 -9.155 4.645 -1.378
40 HB VAL 7 HB VAL 7 -11.079 4.863 0.259
41 HG11 VAL 7 HG11 VAL 7 -12.309 2.960 -0.617
42 HG12 VAL 7 HG12 VAL 7 -11.313 3.711 -1.880
43 HG13 VAL 7 HG13 VAL 7 -10.795 2.184 -1.129
44 HG21 VAL 7 HG21 VAL 7 -11.645 3.045 1.738
45 HG22 VAL 7 HG22 VAL 7 -10.188 2.142 1.299
46 HG23 VAL 7 HG23 VAL 7 -10.061 3.668 2.215
47 H GLY 8 H GLY 8 -7.499 4.164 1.598
48 HA2 GLY 8 HA2 GLY 8 -8.179 5.992 3.404
49 HA3 GLY 8 HA3 GLY 8 -6.493 5.626 3.046
50 H SER 9 H SER 9 -5.192 6.984 1.941
51 HA SER 9 HA SER 9 -6.261 9.665 1.194
52 HB2 SER 9 HB2 SER 9 -4.266 9.162 3.384
53 HB3 SER 9 HB3 SER 9 -4.301 10.698 2.466
54 HG SER 9 HG SER 9 -6.339 9.492 4.073
55 HA PRO 10 HA PRO 10 -2.371 8.725 -1.385
56 HB2 PRO 10 HB2 PRO 10 -0.405 7.098 -0.550
57 HB3 PRO 10 HB3 PRO 10 -0.526 8.761 0.127
58 HG2 PRO 10 HG2 PRO 10 -1.615 6.174 1.275
59 HG3 PRO 10 HG3 PRO 10 -0.558 7.365 2.117
60 HD2 PRO 10 HD2 PRO 10 -3.304 7.349 2.361
61 HD3 PRO 10 HD3 PRO 10 -2.344 8.871 2.347
62 H GLU 11 H GLU 11 -1.508 6.551 -2.629
63 HA GLU 11 HA GLU 11 -3.746 4.688 -2.728
64 HB2 GLU 11 HB2 GLU 11 -1.161 4.238 -4.217
65 HB3 GLU 11 HB3 GLU 11 -2.772 3.651 -4.545
66 HG2 GLU 11 HG2 GLU 11 -3.481 6.047 -4.977
67 HG3 GLU 11 HG3 GLU 11 -1.777 6.505 -4.847
68 H CYS 12 H CYS 12 -0.285 3.607 -2.419
69 HA CYS 12 HA CYS 12 -1.231 1.750 -0.294
70 HB2 CYS 12 HB2 CYS 12 -0.158 0.813 -2.956
71 HB3 CYS 12 HB3 CYS 12 -0.403 -0.190 -1.532
72 HA PRO 13 HA PRO 13 3.347 0.775 -0.136
73 HB2 PRO 13 HB2 PRO 13 5.215 2.377 -1.484
74 HB3 PRO 13 HB3 PRO 13 4.627 0.760 -1.958
75 HG2 PRO 13 HG2 PRO 13 3.720 3.452 -2.957
76 HG3 PRO 13 HG3 PRO 13 3.909 1.916 -3.855
77 HD2 PRO 13 HD2 PRO 13 1.472 2.811 -3.046
78 HD3 PRO 13 HD3 PRO 13 1.890 1.082 -3.084
79 HA PRO 14 HA PRO 14 4.544 4.829 2.034
80 HB2 PRO 14 HB2 PRO 14 3.134 7.113 1.823
81 HB3 PRO 14 HB3 PRO 14 4.292 6.611 0.549
82 HG2 PRO 14 HG2 PRO 14 1.304 6.142 0.593
83 HG3 PRO 14 HG3 PRO 14 2.270 6.927 -0.704
84 HD2 PRO 14 HD2 PRO 14 1.618 4.306 -0.778
85 HD3 PRO 14 HD3 PRO 14 3.223 4.875 -1.350
86 H LYS 15 H LYS 15 1.436 3.464 1.868
87 HA LYS 15 HA LYS 15 0.659 4.291 4.646
88 HB2 LYS 15 HB2 LYS 15 -0.909 4.709 2.774
89 HB3 LYS 15 HB3 LYS 15 -1.002 2.981 2.459
90 HG2 LYS 15 HG2 LYS 15 -1.853 2.713 4.869
91 HG3 LYS 15 HG3 LYS 15 -1.868 4.471 4.975
92 HD2 LYS 15 HD2 LYS 15 -3.659 2.641 3.359
93 HD3 LYS 15 HD3 LYS 15 -4.083 3.821 4.560
94 HE2 LYS 15 HE2 LYS 15 -4.507 5.305 3.001
95 HE3 LYS 15 HE3 LYS 15 -2.816 5.342 2.558
96 HZ1 LYS 15 HZ1 LYS 15 -4.841 3.493 1.405
97 HZ2 LYS 15 HZ2 LYS 15 -4.258 4.813 0.630
98 HZ3 LYS 15 HZ3 LYS 15 -3.282 3.580 0.889
99 H CYS 16 H CYS 16 1.550 1.505 2.663
100 HA CYS 16 HA CYS 16 1.018 -0.579 4.494
101 HB2 CYS 16 HB2 CYS 16 3.188 -0.140 2.424
102 HB3 CYS 16 HB3 CYS 16 3.003 -1.652 3.305
103 H ARG 17 H ARG 17 3.699 1.777 4.552
104 HA ARG 17 HA ARG 17 4.284 1.130 7.328
105 HB2 ARG 17 HB2 ARG 17 6.629 0.706 7.059
106 HB3 ARG 17 HB3 ARG 17 5.736 -0.461 6.083
107 HG2 ARG 17 HG2 ARG 17 6.169 1.016 4.051
108 HG3 ARG 17 HG3 ARG 17 7.214 2.014 5.073
109 HD2 ARG 17 HD2 ARG 17 7.579 -0.953 4.608
110 HD3 ARG 17 HD3 ARG 17 8.450 0.314 3.724
111 HE ARG 17 HE ARG 17 8.634 0.348 6.680
112 HH11 ARG 17 HH11 ARG 17 10.323 -0.603 3.735
113 HH12 ARG 17 HH12 ARG 17 11.776 -0.939 4.651
114 HH21 ARG 17 HH21 ARG 17 10.404 -0.073 7.665
115 HH22 ARG 17 HH22 ARG 17 11.921 -0.275 6.794
116 H ALA 18 H ALA 18 6.132 2.649 8.107
117 HA ALA 18 HA ALA 18 5.260 5.318 7.821
118 HB1 ALA 18 HB1 ALA 18 7.799 4.117 9.001
119 HB2 ALA 18 HB2 ALA 18 7.221 5.767 9.289
120 HB3 ALA 18 HB3 ALA 18 6.255 4.384 9.833
121 H GLN 19 H GLN 19 8.137 3.774 6.435
122 HA GLN 19 HA GLN 19 8.947 6.257 5.030
123 HB2 GLN 19 HB2 GLN 19 11.174 5.368 5.100
124 HB3 GLN 19 HB3 GLN 19 10.465 5.488 6.699
125 HG2 GLN 19 HG2 GLN 19 10.377 2.863 5.153
126 HG3 GLN 19 HG3 GLN 19 11.801 3.393 6.024
127 HE21 GLN 19 HE22 GLN 19 11.784 3.385 8.387
128 HE22 GLN 19 HE21 GLN 19 10.429 2.660 9.256
129 H GLY 20 H GLY 20 7.172 3.884 4.086
130 HA2 GLY 20 HA2 GLY 20 6.376 3.544 1.938
131 HA3 GLY 20 HA3 GLY 20 7.855 4.190 1.244
132 H CYS 21 H CYS 21 6.012 1.559 1.236
133 HA CYS 21 HA CYS 21 8.021 -0.566 1.367
134 HB2 CYS 21 HB2 CYS 21 5.128 -0.443 0.543
135 HB3 CYS 21 HB3 CYS 21 6.092 -1.868 0.226
136 H LYS 22 H LYS 22 8.310 -2.065 -0.457
137 HA LYS 22 HA LYS 22 9.654 -0.763 -2.619
138 HB2 LYS 22 HB2 LYS 22 8.910 -3.657 -2.039
139 HB3 LYS 22 HB3 LYS 22 9.980 -3.173 -3.370
140 HG2 LYS 22 HG2 LYS 22 11.763 -2.873 -2.022
141 HG3 LYS 22 HG3 LYS 22 10.844 -1.979 -0.814
142 HD2 LYS 22 HD2 LYS 22 9.936 -4.049 0.120
143 HD3 LYS 22 HD3 LYS 22 10.797 -5.002 -1.113
144 HE2 LYS 22 HE2 LYS 22 12.945 -4.393 -0.225
145 HE3 LYS 22 HE3 LYS 22 12.237 -3.181 0.852
146 HZ1 LYS 22 HZ1 LYS 22 11.219 -4.905 2.143
147 HZ2 LYS 22 HZ2 LYS 22 11.510 -6.049 1.061
148 HZ3 LYS 22 HZ3 LYS 22 12.773 -5.400 1.917
149 H ASN 23 H ASN 23 6.762 -2.877 -2.801
150 HA ASN 23 HA ASN 23 5.596 -1.063 -4.826
151 HB2 ASN 23 HB2 ASN 23 6.908 -3.220 -5.828
152 HB3 ASN 23 HB3 ASN 23 5.393 -4.002 -5.431
153 HD21 ASN 23 HD22 ASN 23 6.860 -3.048 -8.041
154 HD22 ASN 23 HD21 ASN 23 5.515 -2.313 -8.907
155 H GLY 24 H GLY 24 3.223 -1.891 -5.314
156 HA2 GLY 24 HA2 GLY 24 1.971 -3.497 -3.246
157 HA3 GLY 24 HA3 GLY 24 1.521 -1.790 -3.141
158 H LYS 25 H LYS 25 -0.331 -3.861 -3.585
159 HA LYS 25 HA LYS 25 -1.413 -3.050 -6.226
160 HB2 LYS 25 HB2 LYS 25 -0.144 -5.263 -6.378
161 HB3 LYS 25 HB3 LYS 25 -1.335 -5.949 -5.275
162 HG2 LYS 25 HG2 LYS 25 -1.964 -6.572 -7.486
163 HG3 LYS 25 HG3 LYS 25 -3.124 -5.330 -6.992
164 HD2 LYS 25 HD2 LYS 25 -1.715 -3.619 -8.238
165 HD3 LYS 25 HD3 LYS 25 -0.667 -4.948 -8.742
166 HE2 LYS 25 HE2 LYS 25 -2.656 -6.006 -9.880
167 HE3 LYS 25 HE3 LYS 25 -3.617 -4.586 -9.411
168 HZ1 LYS 25 HZ1 LYS 25 -1.212 -4.566 -11.129
169 HZ2 LYS 25 HZ2 LYS 25 -2.734 -4.296 -11.660
170 HZ3 LYS 25 HZ3 LYS 25 -2.023 -3.212 -10.661
171 H CYS 26 H CYS 26 -3.466 -2.546 -6.211
172 HA CYS 26 HA CYS 26 -4.958 -2.726 -3.689
173 HB2 CYS 26 HB2 CYS 26 -4.480 -0.585 -4.767
174 HB3 CYS 26 HB3 CYS 26 -5.328 -1.095 -6.205
175 H MET 27 H MET 27 -6.731 -3.780 -3.317
176 HA MET 27 HA MET 27 -7.983 -5.557 -5.320
177 HB2 MET 27 HB2 MET 27 -8.255 -5.368 -2.287
178 HB3 MET 27 HB3 MET 27 -9.076 -6.546 -3.314
179 HG2 MET 27 HG2 MET 27 -7.288 -7.749 -2.531
180 HG3 MET 27 HG3 MET 27 -6.770 -7.257 -4.136
181 HE1 MET 27 HE1 MET 27 -3.300 -7.210 -2.614
182 HE2 MET 27 HE2 MET 27 -4.570 -8.447 -2.463
183 HE3 MET 27 HE3 MET 27 -4.325 -7.594 -4.006
184 H ASN 28 H ASN 28 -10.616 -5.484 -3.732
185 HA ASN 28 HA ASN 28 -11.901 -3.461 -5.314
186 HB2 ASN 28 HB2 ASN 28 -13.053 -5.519 -4.719
187 HB3 ASN 28 HB3 ASN 28 -12.905 -5.148 -2.998
188 HD21 ASN 28 HD22 ASN 28 -14.436 -3.965 -6.050
189 HD22 ASN 28 HD21 ASN 28 -15.825 -3.317 -5.150
190 H ARG 29 H ARG 29 -10.941 -3.500 -1.938
191 HA ARG 29 HA ARG 29 -10.473 -0.594 -2.094
192 HB2 ARG 29 HB2 ARG 29 -11.572 -0.061 0.042
193 HB3 ARG 29 HB3 ARG 29 -12.691 -0.502 -1.211
194 HG2 ARG 29 HG2 ARG 29 -12.994 -2.755 -0.231
195 HG3 ARG 29 HG3 ARG 29 -11.713 -2.416 0.952
196 HD2 ARG 29 HD2 ARG 29 -13.070 -0.486 1.804
197 HD3 ARG 29 HD3 ARG 29 -14.392 -1.000 0.746
198 HE ARG 29 HE ARG 29 -13.210 -2.561 3.027
199 HH11 ARG 29 HH11 ARG 29 -16.040 -2.216 0.898
200 HH12 ARG 29 HH12 ARG 29 -17.005 -3.131 2.052
201 HH21 ARG 29 HH21 ARG 29 -14.507 -3.800 4.212
202 HH22 ARG 29 HH22 ARG 29 -16.219 -3.948 3.787
203 H LYS 30 H LYS 30 -9.530 -3.645 -0.935
204 HA LYS 30 HA LYS 30 -7.770 -2.549 1.177
205 HB2 LYS 30 HB2 LYS 30 -8.259 -5.387 0.205
206 HB3 LYS 30 HB3 LYS 30 -7.060 -4.943 1.442
207 HG2 LYS 30 HG2 LYS 30 -8.842 -3.894 2.813
208 HG3 LYS 30 HG3 LYS 30 -10.055 -4.401 1.633
209 HD2 LYS 30 HD2 LYS 30 -9.532 -6.767 2.051
210 HD3 LYS 30 HD3 LYS 30 -8.231 -6.290 3.178
211 HE2 LYS 30 HE2 LYS 30 -9.853 -5.124 4.599
212 HE3 LYS 30 HE3 LYS 30 -11.171 -5.543 3.490
213 HZ1 LYS 30 HZ1 LYS 30 -9.550 -7.503 5.026
214 HZ2 LYS 30 HZ2 LYS 30 -11.128 -7.073 5.329
215 HZ3 LYS 30 HZ3 LYS 30 -10.740 -7.899 3.987
216 H CYS 31 H CYS 31 -5.424 -3.163 1.145
217 HA CYS 31 HA CYS 31 -4.316 -3.606 -1.566
218 HB2 CYS 31 HB2 CYS 31 -4.443 -1.033 -0.810
219 HB3 CYS 31 HB3 CYS 31 -2.965 -1.466 0.034
220 H LYS 32 H LYS 32 -2.386 -4.671 -1.639
221 HA LYS 32 HA LYS 32 -1.007 -5.292 0.952
222 HB2 LYS 32 HB2 LYS 32 -2.268 -7.251 0.112
223 HB3 LYS 32 HB3 LYS 32 -1.369 -7.159 -1.417
224 HG2 LYS 32 HG2 LYS 32 0.741 -7.642 -0.250
225 HG3 LYS 32 HG3 LYS 32 -0.074 -7.565 1.315
226 HD2 LYS 32 HD2 LYS 32 0.352 -9.870 0.668
227 HD3 LYS 32 HD3 LYS 32 -1.387 -9.572 0.757
228 HE2 LYS 32 HE2 LYS 32 -1.541 -9.420 -1.679
229 HE3 LYS 32 HE3 LYS 32 0.224 -9.504 -1.836
230 HZ1 LYS 32 HZ1 LYS 32 -1.430 -11.698 -0.710
231 HZ2 LYS 32 HZ2 LYS 32 -0.882 -11.635 -2.262
232 HZ3 LYS 32 HZ3 LYS 32 0.192 -11.743 -1.056
233 H CYS 33 H CYS 33 1.134 -5.105 1.020
234 HA CYS 33 HA CYS 33 2.659 -4.325 -1.423
235 HB2 CYS 33 HB2 CYS 33 3.084 -3.762 1.525
236 HB3 CYS 33 HB3 CYS 33 4.289 -3.472 0.276
237 H TYR 34 H TYR 34 3.533 -6.046 -2.330
238 HA TYR 34 HA TYR 34 3.617 -8.585 -1.270
239 HB2 TYR 34 HB2 TYR 34 5.291 -7.530 -3.566
240 HB3 TYR 34 HB3 TYR 34 4.954 -9.211 -3.231
241 HD1 TYR 34 HD2 TYR 34 2.552 -10.074 -3.407
242 HD2 TYR 34 HD1 TYR 34 3.792 -6.217 -4.916
243 HE1 TYR 34 HE2 TYR 34 0.660 -10.082 -5.028
244 HE2 TYR 34 HE1 TYR 34 1.918 -6.242 -6.519
245 HH TYR 34 HH TYR 34 -0.354 -9.023 -6.769
246 H TYR 35 H TYR 35 6.707 -6.895 -2.052
247 HA TYR 35 HA TYR 35 8.174 -8.847 -0.420
248 HB2 TYR 35 HB2 TYR 35 9.098 -6.705 -2.351
249 HB3 TYR 35 HB3 TYR 35 10.135 -7.917 -1.616
250 HD1 TYR 35 HD1 TYR 35 9.263 -10.454 -1.872
251 HD2 TYR 35 HD2 TYR 35 8.299 -7.179 -4.491
252 HE1 TYR 35 HE1 TYR 35 8.602 -12.071 -3.635
253 HE2 TYR 35 HE2 TYR 35 7.598 -8.779 -6.258
254 HH TYR 35 HH TYR 35 7.993 -12.339 -5.806
255 H CYS 36 H CYS 36 6.665 -6.816 1.028
256 HA CYS 36 HA CYS 36 8.836 -5.251 2.336
257 HB2 CYS 36 HB2 CYS 36 7.251 -4.066 0.935
258 HB3 CYS 36 HB3 CYS 36 5.903 -4.640 1.945
Start of MODEL 3
1 H1 ALA 1 H1 ALA 1 0.243 -5.241 9.086
2 H2 ALA 1 H2 ALA 1 -1.067 -4.264 9.311
3 H3 ALA 1 H3 ALA 1 0.431 -3.768 9.796
4 HA ALA 1 HA ALA 1 -0.242 -2.655 7.809
5 HB1 ALA 1 HB1 ALA 1 2.077 -4.583 7.361
6 HB2 ALA 1 HB2 ALA 1 1.784 -3.074 6.478
7 HB3 ALA 1 HB3 ALA 1 2.167 -3.021 8.204
8 H ALA 2 H ALA 2 -0.615 -2.758 5.530
9 HA ALA 2 HA ALA 2 -1.530 -3.361 3.614
10 HB1 ALA 2 HB1 ALA 2 0.225 -5.073 3.523
11 HB2 ALA 2 HB2 ALA 2 -0.875 -6.244 4.287
12 HB3 ALA 2 HB3 ALA 2 -1.254 -5.576 2.690
13 H ALA 3 H ALA 3 -2.803 -4.933 6.409
14 HA ALA 3 HA ALA 3 -5.504 -5.351 5.415
15 HB1 ALA 3 HB1 ALA 3 -4.221 -5.260 8.165
16 HB2 ALA 3 HB2 ALA 3 -5.868 -5.831 7.814
17 HB3 ALA 3 HB3 ALA 3 -4.467 -6.715 7.166
18 H ILE 4 H ILE 4 -5.362 -3.055 4.460
19 HA ILE 4 HA ILE 4 -6.411 -0.987 6.335
20 HB ILE 4 HB ILE 4 -5.047 0.659 5.041
21 HG12 ILE 4 HG12 ILE 4 -3.439 -1.704 3.999
22 HG13 ILE 4 HG13 ILE 4 -4.699 -0.945 3.024
23 HG21 ILE 4 HG21 ILE 4 -3.005 0.282 6.276
24 HG22 ILE 4 HG22 ILE 4 -4.347 -0.306 7.259
25 HG23 ILE 4 HG23 ILE 4 -3.325 -1.463 6.379
26 HD11 ILE 4 HD11 ILE 4 -3.544 1.158 3.013
27 HD12 ILE 4 HD12 ILE 4 -2.312 0.522 4.153
28 HD13 ILE 4 HD13 ILE 4 -2.434 -0.130 2.512
29 H SER 5 H SER 5 -7.481 0.779 5.237
30 HA SER 5 HA SER 5 -9.127 -0.095 2.967
31 HB2 SER 5 HB2 SER 5 -9.018 2.513 4.514
32 HB3 SER 5 HB3 SER 5 -10.157 2.153 3.200
33 HG SER 5 HG SER 5 -11.056 1.653 5.261
34 H CYS 6 H CYS 6 -8.531 0.055 0.944
35 HA CYS 6 HA CYS 6 -6.200 1.465 -0.001
36 HB2 CYS 6 HB2 CYS 6 -7.084 -0.484 -1.102
37 HB3 CYS 6 HB3 CYS 6 -8.623 0.341 -1.417
38 H VAL 7 H VAL 7 -9.651 2.524 0.171
39 HA VAL 7 HA VAL 7 -9.385 4.766 -1.541
40 HB VAL 7 HB VAL 7 -11.277 5.790 -0.383
41 HG11 VAL 7 HG11 VAL 7 -11.654 2.823 -0.920
42 HG12 VAL 7 HG12 VAL 7 -12.910 4.074 -0.942
43 HG13 VAL 7 HG13 VAL 7 -11.607 4.108 -2.142
44 HG21 VAL 7 HG21 VAL 7 -10.978 5.204 1.961
45 HG22 VAL 7 HG22 VAL 7 -12.507 4.562 1.382
46 HG23 VAL 7 HG23 VAL 7 -11.130 3.472 1.586
47 H GLY 8 H GLY 8 -8.687 4.516 1.853
48 HA2 GLY 8 HA2 GLY 8 -7.925 6.201 3.392
49 HA3 GLY 8 HA3 GLY 8 -6.573 5.582 2.468
50 H SER 9 H SER 9 -5.211 6.937 1.748
51 HA SER 9 HA SER 9 -6.122 9.517 0.559
52 HB2 SER 9 HB2 SER 9 -5.399 10.258 2.664
53 HB3 SER 9 HB3 SER 9 -4.013 9.171 2.684
54 HG SER 9 HG SER 9 -4.437 11.471 1.079
55 HA PRO 10 HA PRO 10 -2.807 7.338 -1.998
56 HB2 PRO 10 HB2 PRO 10 -0.855 5.836 -0.992
57 HB3 PRO 10 HB3 PRO 10 -0.778 7.618 -0.748
58 HG2 PRO 10 HG2 PRO 10 -1.844 5.496 1.141
59 HG3 PRO 10 HG3 PRO 10 -0.641 6.766 1.535
60 HD2 PRO 10 HD2 PRO 10 -3.332 7.018 2.040
61 HD3 PRO 10 HD3 PRO 10 -2.301 8.412 1.579
62 H GLU 11 H GLU 11 -2.395 4.951 -2.787
63 HA GLU 11 HA GLU 11 -4.681 3.293 -2.015
64 HB2 GLU 11 HB2 GLU 11 -2.460 2.785 -4.026
65 HB3 GLU 11 HB3 GLU 11 -3.824 1.716 -3.708
66 HG2 GLU 11 HG2 GLU 11 -5.403 3.561 -4.296
67 HG3 GLU 11 HG3 GLU 11 -4.021 4.581 -4.706
68 H CYS 12 H CYS 12 -1.227 2.296 -2.257
69 HA CYS 12 HA CYS 12 -1.730 0.506 0.088
70 HB2 CYS 12 HB2 CYS 12 -2.380 -0.746 -1.817
71 HB3 CYS 12 HB3 CYS 12 -0.949 -0.361 -2.699
72 HA PRO 13 HA PRO 13 2.831 -0.077 -0.065
73 HB2 PRO 13 HB2 PRO 13 4.542 1.283 -1.794
74 HB3 PRO 13 HB3 PRO 13 3.850 -0.338 -2.021
75 HG2 PRO 13 HG2 PRO 13 2.908 2.274 -3.195
76 HG3 PRO 13 HG3 PRO 13 2.981 0.659 -3.953
77 HD2 PRO 13 HD2 PRO 13 0.644 1.680 -2.966
78 HD3 PRO 13 HD3 PRO 13 1.048 -0.049 -2.928
79 HA PRO 14 HA PRO 14 4.314 4.176 1.343
80 HB2 PRO 14 HB2 PRO 14 2.941 6.472 1.040
81 HB3 PRO 14 HB3 PRO 14 3.912 5.789 -0.306
82 HG2 PRO 14 HG2 PRO 14 0.955 5.417 0.228
83 HG3 PRO 14 HG3 PRO 14 1.709 5.991 -1.298
84 HD2 PRO 14 HD2 PRO 14 0.983 3.392 -0.910
85 HD3 PRO 14 HD3 PRO 14 2.485 3.833 -1.810
86 H LYS 15 H LYS 15 1.123 2.984 1.677
87 HA LYS 15 HA LYS 15 0.768 4.052 4.432
88 HB2 LYS 15 HB2 LYS 15 -1.063 4.007 2.529
89 HB3 LYS 15 HB3 LYS 15 -1.262 2.329 2.997
90 HG2 LYS 15 HG2 LYS 15 -1.609 3.176 5.392
91 HG3 LYS 15 HG3 LYS 15 -1.511 4.809 4.754
92 HD2 LYS 15 HD2 LYS 15 -3.737 2.785 4.413
93 HD3 LYS 15 HD3 LYS 15 -3.756 4.354 5.156
94 HE2 LYS 15 HE2 LYS 15 -4.661 5.123 3.320
95 HE3 LYS 15 HE3 LYS 15 -3.043 5.092 2.631
96 HZ1 LYS 15 HZ1 LYS 15 -4.571 4.006 1.146
97 HZ2 LYS 15 HZ2 LYS 15 -3.627 2.837 1.710
98 HZ3 LYS 15 HZ3 LYS 15 -5.164 3.027 2.322
99 H CYS 16 H CYS 16 2.629 1.766 3.291
100 HA CYS 16 HA CYS 16 1.678 -0.485 4.989
101 HB2 CYS 16 HB2 CYS 16 1.915 -0.574 2.455
102 HB3 CYS 16 HB3 CYS 16 3.662 -0.638 2.716
103 H ARG 17 H ARG 17 4.416 1.715 4.843
104 HA ARG 17 HA ARG 17 5.392 0.678 7.325
105 HB2 ARG 17 HB2 ARG 17 7.642 0.116 6.642
106 HB3 ARG 17 HB3 ARG 17 6.468 -0.914 5.810
107 HG2 ARG 17 HG2 ARG 17 6.684 0.505 3.773
108 HG3 ARG 17 HG3 ARG 17 7.912 1.476 4.606
109 HD2 ARG 17 HD2 ARG 17 8.087 -1.495 3.973
110 HD3 ARG 17 HD3 ARG 17 8.906 -0.138 3.153
111 HE ARG 17 HE ARG 17 9.699 0.252 5.678
112 HH11 ARG 17 HH11 ARG 17 9.845 -2.941 4.102
113 HH12 ARG 17 HH12 ARG 17 11.298 -3.292 4.981
114 HH21 ARG 17 HH21 ARG 17 11.544 -0.311 6.588
115 HH22 ARG 17 HH22 ARG 17 12.329 -1.816 6.211
116 H ALA 18 H ALA 18 7.270 1.869 8.104
117 HA ALA 18 HA ALA 18 6.484 4.527 8.444
118 HB1 ALA 18 HB1 ALA 18 9.142 3.146 9.038
119 HB2 ALA 18 HB2 ALA 18 8.584 4.660 9.786
120 HB3 ALA 18 HB3 ALA 18 7.706 3.143 10.074
121 H GLN 19 H GLN 19 9.258 3.365 6.566
122 HA GLN 19 HA GLN 19 9.986 6.086 5.644
123 HB2 GLN 19 HB2 GLN 19 12.062 5.161 4.997
124 HB3 GLN 19 HB3 GLN 19 11.716 4.743 6.665
125 HG2 GLN 19 HG2 GLN 19 11.153 2.809 4.368
126 HG3 GLN 19 HG3 GLN 19 12.726 2.997 5.101
127 HE21 GLN 19 HE22 GLN 19 13.135 1.933 7.163
128 HE22 GLN 19 HE21 GLN 19 11.819 1.207 8.081
129 H GLY 20 H GLY 20 7.845 3.949 4.610
130 HA2 GLY 20 HA2 GLY 20 6.690 3.649 2.691
131 HA3 GLY 20 HA3 GLY 20 7.827 4.662 1.768
132 H CYS 21 H CYS 21 6.631 2.432 0.777
133 HA CYS 21 HA CYS 21 8.424 0.084 1.118
134 HB2 CYS 21 HB2 CYS 21 5.795 0.339 1.491
135 HB3 CYS 21 HB3 CYS 21 5.769 -0.127 -0.200
136 H LYS 22 H LYS 22 9.063 -1.108 -0.602
137 HA LYS 22 HA LYS 22 9.962 0.308 -2.939
138 HB2 LYS 22 HB2 LYS 22 9.949 -2.707 -2.480
139 HB3 LYS 22 HB3 LYS 22 10.815 -1.829 -3.748
140 HG2 LYS 22 HG2 LYS 22 11.929 -0.473 -1.878
141 HG3 LYS 22 HG3 LYS 22 11.288 -1.658 -0.751
142 HD2 LYS 22 HD2 LYS 22 13.099 -2.301 -3.104
143 HD3 LYS 22 HD3 LYS 22 13.677 -1.981 -1.471
144 HE2 LYS 22 HE2 LYS 22 11.735 -4.245 -2.073
145 HE3 LYS 22 HE3 LYS 22 13.484 -4.417 -2.222
146 HZ1 LYS 22 HZ1 LYS 22 12.113 -3.653 0.296
147 HZ2 LYS 22 HZ2 LYS 22 12.738 -5.127 -0.050
148 HZ3 LYS 22 HZ3 LYS 22 13.729 -3.826 0.096
149 H ASN 23 H ASN 23 7.471 -2.307 -2.769
150 HA ASN 23 HA ASN 23 5.828 -0.747 -4.527
151 HB2 ASN 23 HB2 ASN 23 7.527 -2.181 -6.022
152 HB3 ASN 23 HB3 ASN 23 6.373 -3.471 -5.719
153 HD21 ASN 23 HD22 ASN 23 6.886 -2.580 -8.285
154 HD22 ASN 23 HD21 ASN 23 5.450 -1.749 -8.880
155 H GLY 24 H GLY 24 3.741 -1.657 -4.912
156 HA2 GLY 24 HA2 GLY 24 2.660 -3.958 -3.585
157 HA3 GLY 24 HA3 GLY 24 2.281 -2.497 -2.638
158 H LYS 25 H LYS 25 0.270 -3.992 -3.727
159 HA LYS 25 HA LYS 25 -0.892 -2.048 -5.650
160 HB2 LYS 25 HB2 LYS 25 -0.716 -5.058 -5.994
161 HB3 LYS 25 HB3 LYS 25 -1.961 -4.131 -6.794
162 HG2 LYS 25 HG2 LYS 25 1.004 -3.739 -7.193
163 HG3 LYS 25 HG3 LYS 25 -0.101 -4.564 -8.286
164 HD2 LYS 25 HD2 LYS 25 -0.053 -1.632 -7.583
165 HD3 LYS 25 HD3 LYS 25 0.405 -2.357 -9.122
166 HE2 LYS 25 HE2 LYS 25 -2.003 -3.020 -9.463
167 HE3 LYS 25 HE3 LYS 25 -2.395 -2.224 -7.929
168 HZ1 LYS 25 HZ1 LYS 25 -2.793 -0.571 -9.482
169 HZ2 LYS 25 HZ2 LYS 25 -1.296 -0.193 -8.987
170 HZ3 LYS 25 HZ3 LYS 25 -1.492 -0.958 -10.436
171 H CYS 26 H CYS 26 -3.014 -1.737 -5.609
172 HA CYS 26 HA CYS 26 -4.482 -2.716 -3.233
173 HB2 CYS 26 HB2 CYS 26 -4.526 -0.418 -3.333
174 HB3 CYS 26 HB3 CYS 26 -4.738 -0.365 -5.083
175 H MET 27 H MET 27 -6.089 -4.043 -3.275
176 HA MET 27 HA MET 27 -7.320 -4.952 -5.850
177 HB2 MET 27 HB2 MET 27 -6.762 -6.521 -3.293
178 HB3 MET 27 HB3 MET 27 -7.740 -7.082 -4.646
179 HG2 MET 27 HG2 MET 27 -5.736 -8.082 -5.121
180 HG3 MET 27 HG3 MET 27 -5.627 -6.626 -6.102
181 HE1 MET 27 HE1 MET 27 -3.069 -6.820 -6.466
182 HE2 MET 27 HE2 MET 27 -1.900 -7.179 -5.177
183 HE3 MET 27 HE3 MET 27 -3.129 -8.384 -5.622
184 H ASN 28 H ASN 28 -9.140 -3.812 -5.952
185 HA ASN 28 HA ASN 28 -11.085 -2.886 -5.621
186 HB2 ASN 28 HB2 ASN 28 -11.610 -5.324 -5.364
187 HB3 ASN 28 HB3 ASN 28 -11.717 -5.081 -3.625
188 HD21 ASN 28 HD22 ASN 28 -13.922 -6.096 -4.649
189 HD22 ASN 28 HD21 ASN 28 -15.131 -4.894 -5.075
190 H ARG 29 H ARG 29 -10.573 -3.794 -2.189
191 HA ARG 29 HA ARG 29 -10.598 -0.882 -1.481
192 HB2 ARG 29 HB2 ARG 29 -11.906 -3.107 0.103
193 HB3 ARG 29 HB3 ARG 29 -12.057 -1.390 0.417
194 HG2 ARG 29 HG2 ARG 29 -13.101 -2.692 -2.118
195 HG3 ARG 29 HG3 ARG 29 -13.970 -2.662 -0.597
196 HD2 ARG 29 HD2 ARG 29 -14.855 -0.912 -1.910
197 HD3 ARG 29 HD3 ARG 29 -13.934 -0.169 -0.602
198 HE ARG 29 HE ARG 29 -12.191 -0.285 -2.808
199 HH11 ARG 29 HH21 ARG 29 -15.412 1.155 -2.405
200 HH12 ARG 29 HH22 ARG 29 -15.054 2.344 -3.649
201 HH21 ARG 29 HH11 ARG 29 -11.817 1.563 -4.095
202 HH22 ARG 29 HH12 ARG 29 -13.226 2.523 -4.538
203 H LYS 30 H LYS 30 -8.687 -3.551 -1.424
204 HA LYS 30 HA LYS 30 -7.442 -2.927 1.240
205 HB2 LYS 30 HB2 LYS 30 -7.990 -5.657 0.023
206 HB3 LYS 30 HB3 LYS 30 -7.181 -5.351 1.557
207 HG2 LYS 30 HG2 LYS 30 -10.113 -4.650 0.982
208 HG3 LYS 30 HG3 LYS 30 -9.528 -6.103 1.780
209 HD2 LYS 30 HD2 LYS 30 -8.369 -4.472 3.481
210 HD3 LYS 30 HD3 LYS 30 -9.481 -3.258 2.812
211 HE2 LYS 30 HE2 LYS 30 -11.371 -4.928 3.262
212 HE3 LYS 30 HE3 LYS 30 -10.178 -5.938 4.093
213 HZ1 LYS 30 HZ1 LYS 30 -9.782 -3.945 5.568
214 HZ2 LYS 30 HZ2 LYS 30 -11.093 -3.234 4.909
215 HZ3 LYS 30 HZ3 LYS 30 -11.221 -4.653 5.755
216 H CYS 31 H CYS 31 -5.197 -4.053 1.428
217 HA CYS 31 HA CYS 31 -3.675 -3.445 -1.091
218 HB2 CYS 31 HB2 CYS 31 -3.528 -1.611 0.359
219 HB3 CYS 31 HB3 CYS 31 -3.399 -2.623 1.777
220 H LYS 32 H LYS 32 -1.737 -4.468 -1.504
221 HA LYS 32 HA LYS 32 -0.677 -6.500 0.369
222 HB2 LYS 32 HB2 LYS 32 -2.069 -7.772 -1.192
223 HB3 LYS 32 HB3 LYS 32 -1.212 -7.081 -2.577
224 HG2 LYS 32 HG2 LYS 32 0.862 -8.152 -1.945
225 HG3 LYS 32 HG3 LYS 32 0.220 -8.633 -0.373
226 HD2 LYS 32 HD2 LYS 32 -0.791 -9.712 -3.042
227 HD3 LYS 32 HD3 LYS 32 0.403 -10.505 -1.994
228 HE2 LYS 32 HE2 LYS 32 -1.293 -10.435 -0.122
229 HE3 LYS 32 HE3 LYS 32 -2.488 -9.849 -1.284
230 HZ1 LYS 32 HZ1 LYS 32 -2.056 -11.897 -2.572
231 HZ2 LYS 32 HZ2 LYS 32 -1.104 -12.461 -1.312
232 HZ3 LYS 32 HZ3 LYS 32 -2.721 -12.171 -1.115
233 H CYS 33 H CYS 33 1.409 -6.217 0.649
234 HA CYS 33 HA CYS 33 2.906 -4.311 -1.090
235 HB2 CYS 33 HB2 CYS 33 3.451 -5.178 1.757
236 HB3 CYS 33 HB3 CYS 33 4.227 -3.855 0.879
237 H TYR 34 H TYR 34 4.127 -5.289 -2.569
238 HA TYR 34 HA TYR 34 4.478 -8.111 -2.502
239 HB2 TYR 34 HB2 TYR 34 5.615 -6.046 -4.407
240 HB3 TYR 34 HB3 TYR 34 5.631 -7.785 -4.666
241 HD1 TYR 34 HD1 TYR 34 2.754 -8.433 -3.716
242 HD2 TYR 34 HD2 TYR 34 4.406 -5.435 -6.356
243 HE1 TYR 34 HE1 TYR 34 0.680 -8.476 -5.079
244 HE2 TYR 34 HE2 TYR 34 2.322 -5.533 -7.731
245 HH TYR 34 HH TYR 34 0.483 -6.798 -8.203
246 H TYR 35 H TYR 35 7.064 -5.623 -2.486
247 HA TYR 35 HA TYR 35 9.027 -7.803 -1.838
248 HB2 TYR 35 HB2 TYR 35 9.683 -5.206 -3.205
249 HB3 TYR 35 HB3 TYR 35 10.571 -6.717 -3.242
250 HD1 TYR 35 HD2 TYR 35 8.676 -8.737 -4.194
251 HD2 TYR 35 HD1 TYR 35 9.106 -4.593 -5.347
252 HE1 TYR 35 HE2 TYR 35 7.704 -9.244 -6.428
253 HE2 TYR 35 HE1 TYR 35 8.136 -5.110 -7.564
254 HH TYR 35 HH TYR 35 7.418 -6.709 -8.976
255 H CYS 36 H CYS 36 7.609 -5.610 0.057
256 HA CYS 36 HA CYS 36 10.054 -4.796 1.499
257 HB2 CYS 36 HB2 CYS 36 9.178 -2.468 1.282
258 HB3 CYS 36 HB3 CYS 36 9.689 -3.191 -0.235
Start of MODEL 4
1 H1 ALA 1 H1 ALA 1 3.021 -4.627 7.132
2 H2 ALA 1 H2 ALA 1 3.050 -3.642 8.460
3 H3 ALA 1 H3 ALA 1 3.092 -2.995 6.938
4 HA ALA 1 HA ALA 1 0.886 -4.438 8.199
5 HB1 ALA 1 HB1 ALA 1 1.109 -2.123 8.980
6 HB2 ALA 1 HB2 ALA 1 1.082 -1.525 7.307
7 HB3 ALA 1 HB3 ALA 1 -0.355 -2.308 8.003
8 H ALA 2 H ALA 2 -1.014 -4.708 7.025
9 HA ALA 2 HA ALA 2 -1.140 -4.262 4.137
10 HB1 ALA 2 HB1 ALA 2 -1.521 -6.653 3.648
11 HB2 ALA 2 HB2 ALA 2 0.087 -6.426 4.346
12 HB3 ALA 2 HB3 ALA 2 -1.231 -7.068 5.350
13 H ALA 3 H ALA 3 -3.408 -5.340 3.440
14 HA ALA 3 HA ALA 3 -5.678 -5.114 3.583
15 HB1 ALA 3 HB1 ALA 3 -5.145 -7.159 4.812
16 HB2 ALA 3 HB2 ALA 3 -5.183 -6.224 6.332
17 HB3 ALA 3 HB3 ALA 3 -6.660 -6.393 5.360
18 H ILE 4 H ILE 4 -4.413 -2.751 4.182
19 HA ILE 4 HA ILE 4 -5.789 -1.167 6.214
20 HB ILE 4 HB ILE 4 -4.418 0.628 5.006
21 HG12 ILE 4 HG12 ILE 4 -3.016 -1.737 3.663
22 HG13 ILE 4 HG13 ILE 4 -4.310 -0.860 2.838
23 HG21 ILE 4 HG21 ILE 4 -2.831 -1.766 6.059
24 HG22 ILE 4 HG22 ILE 4 -2.290 -0.073 6.020
25 HG23 ILE 4 HG23 ILE 4 -3.630 -0.547 7.065
26 HD11 ILE 4 HD11 ILE 4 -3.087 1.151 2.834
27 HD12 ILE 4 HD12 ILE 4 -1.801 0.419 3.866
28 HD13 ILE 4 HD13 ILE 4 -2.071 -0.163 2.214
29 H SER 5 H SER 5 -6.944 0.765 5.526
30 HA SER 5 HA SER 5 -8.848 0.427 3.392
31 HB2 SER 5 HB2 SER 5 -7.997 2.948 4.869
32 HB3 SER 5 HB3 SER 5 -9.384 2.810 3.773
33 HG SER 5 HG SER 5 -8.935 1.502 6.248
34 H CYS 6 H CYS 6 -8.268 0.296 1.339
35 HA CYS 6 HA CYS 6 -6.019 1.558 0.098
36 HB2 CYS 6 HB2 CYS 6 -7.120 -0.347 -0.841
37 HB3 CYS 6 HB3 CYS 6 -8.646 0.532 -1.003
38 H VAL 7 H VAL 7 -9.341 2.821 0.586
39 HA VAL 7 HA VAL 7 -9.140 5.067 -1.179
40 HB VAL 7 HB VAL 7 -10.793 4.624 1.339
41 HG11 VAL 7 HG11 VAL 7 -10.732 7.064 0.946
42 HG12 VAL 7 HG12 VAL 7 -11.095 6.807 -0.781
43 HG13 VAL 7 HG13 VAL 7 -12.289 6.412 0.465
44 HG21 VAL 7 HG21 VAL 7 -12.597 4.232 -0.352
45 HG22 VAL 7 HG22 VAL 7 -11.429 4.463 -1.656
46 HG23 VAL 7 HG23 VAL 7 -11.276 3.079 -0.560
47 H GLY 8 H GLY 8 -8.132 4.692 2.149
48 HA2 GLY 8 HA2 GLY 8 -7.635 6.635 3.626
49 HA3 GLY 8 HA3 GLY 8 -6.193 5.864 2.935
50 H SER 9 H SER 9 -4.926 6.816 1.486
51 HA SER 9 HA SER 9 -5.763 9.309 0.186
52 HB2 SER 9 HB2 SER 9 -4.938 10.322 2.142
53 HB3 SER 9 HB3 SER 9 -3.496 9.327 2.193
54 HG SER 9 HG SER 9 -3.330 11.541 1.321
55 HA PRO 10 HA PRO 10 -2.233 7.207 -2.214
56 HB2 PRO 10 HB2 PRO 10 -0.483 5.546 -1.073
57 HB3 PRO 10 HB3 PRO 10 -0.242 7.322 -0.928
58 HG2 PRO 10 HG2 PRO 10 -1.563 5.429 1.023
59 HG3 PRO 10 HG3 PRO 10 -0.261 6.597 1.398
60 HD2 PRO 10 HD2 PRO 10 -2.928 7.130 1.805
61 HD3 PRO 10 HD3 PRO 10 -1.769 8.411 1.272
62 H GLU 11 H GLU 11 -2.232 4.896 -3.100
63 HA GLU 11 HA GLU 11 -4.568 3.384 -2.217
64 HB2 GLU 11 HB2 GLU 11 -2.418 2.828 -4.299
65 HB3 GLU 11 HB3 GLU 11 -3.764 1.735 -3.945
66 HG2 GLU 11 HG2 GLU 11 -5.439 3.429 -4.508
67 HG3 GLU 11 HG3 GLU 11 -4.134 4.642 -4.759
68 H CYS 12 H CYS 12 -1.110 2.309 -2.430
69 HA CYS 12 HA CYS 12 -1.653 0.564 -0.068
70 HB2 CYS 12 HB2 CYS 12 -2.487 -0.635 -1.921
71 HB3 CYS 12 HB3 CYS 12 -1.050 -0.385 -2.869
72 HA PRO 13 HA PRO 13 2.916 -0.274 -0.572
73 HB2 PRO 13 HB2 PRO 13 4.502 1.387 -2.201
74 HB3 PRO 13 HB3 PRO 13 3.956 -0.270 -2.512
75 HG2 PRO 13 HG2 PRO 13 2.792 2.296 -3.545
76 HG3 PRO 13 HG3 PRO 13 2.893 0.703 -4.336
77 HD2 PRO 13 HD2 PRO 13 0.576 1.618 -3.213
78 HD3 PRO 13 HD3 PRO 13 1.021 -0.094 -3.217
79 HA PRO 14 HA PRO 14 4.617 3.730 1.216
80 HB2 PRO 14 HB2 PRO 14 3.472 6.167 0.981
81 HB3 PRO 14 HB3 PRO 14 4.408 5.448 -0.374
82 HG2 PRO 14 HG2 PRO 14 1.421 5.332 0.088
83 HG3 PRO 14 HG3 PRO 14 2.261 5.917 -1.387
84 HD2 PRO 14 HD2 PRO 14 1.334 3.353 -1.198
85 HD3 PRO 14 HD3 PRO 14 2.917 3.726 -1.973
86 H LYS 15 H LYS 15 1.361 2.825 1.469
87 HA LYS 15 HA LYS 15 1.081 3.804 4.267
88 HB2 LYS 15 HB2 LYS 15 -0.727 4.033 2.402
89 HB3 LYS 15 HB3 LYS 15 -1.064 2.347 2.742
90 HG2 LYS 15 HG2 LYS 15 -1.294 3.121 5.231
91 HG3 LYS 15 HG3 LYS 15 -1.205 4.759 4.590
92 HD2 LYS 15 HD2 LYS 15 -3.445 2.746 4.246
93 HD3 LYS 15 HD3 LYS 15 -3.457 4.304 5.017
94 HE2 LYS 15 HE2 LYS 15 -4.384 5.058 3.157
95 HE3 LYS 15 HE3 LYS 15 -2.745 5.128 2.549
96 HZ1 LYS 15 HZ1 LYS 15 -4.750 2.982 2.065
97 HZ2 LYS 15 HZ2 LYS 15 -4.142 4.010 0.950
98 HZ3 LYS 15 HZ3 LYS 15 -3.178 2.863 1.539
99 H CYS 16 H CYS 16 2.173 1.050 2.532
100 HA CYS 16 HA CYS 16 1.256 -0.929 4.433
101 HB2 CYS 16 HB2 CYS 16 1.827 -2.440 2.932
102 HB3 CYS 16 HB3 CYS 16 1.832 -1.064 1.846
103 H ARG 17 H ARG 17 4.161 1.044 4.291
104 HA ARG 17 HA ARG 17 4.633 0.276 7.053
105 HB2 ARG 17 HB2 ARG 17 7.019 -0.000 6.857
106 HB3 ARG 17 HB3 ARG 17 6.132 -1.247 5.978
107 HG2 ARG 17 HG2 ARG 17 6.739 -0.322 3.847
108 HG3 ARG 17 HG3 ARG 17 7.378 1.154 4.605
109 HD2 ARG 17 HD2 ARG 17 9.194 -0.365 4.004
110 HD3 ARG 17 HD3 ARG 17 9.144 -0.093 5.721
111 HE ARG 17 HE ARG 17 8.302 -2.605 4.274
112 HH11 ARG 17 HH11 ARG 17 9.275 -1.181 7.369
113 HH12 ARG 17 HH12 ARG 17 9.410 -2.757 8.103
114 HH21 ARG 17 HH21 ARG 17 8.705 -4.467 5.171
115 HH22 ARG 17 HH22 ARG 17 9.217 -4.590 6.853
116 H ALA 18 H ALA 18 6.148 1.770 8.101
117 HA ALA 18 HA ALA 18 4.966 4.070 8.528
118 HB1 ALA 18 HB1 ALA 18 7.986 3.692 8.648
119 HB2 ALA 18 HB2 ALA 18 7.039 4.879 9.570
120 HB3 ALA 18 HB3 ALA 18 6.814 3.149 9.859
121 H GLN 19 H GLN 19 7.853 4.176 6.407
122 HA GLN 19 HA GLN 19 6.755 6.682 5.171
123 HB2 GLN 19 HB2 GLN 19 8.918 7.550 4.860
124 HB3 GLN 19 HB3 GLN 19 8.748 7.119 6.556
125 HG2 GLN 19 HG2 GLN 19 10.166 5.185 6.300
126 HG3 GLN 19 HG3 GLN 19 10.133 5.283 4.542
127 HE21 GLN 19 HE22 GLN 19 11.815 6.324 7.359
128 HE22 GLN 19 HE21 GLN 19 12.892 7.466 6.543
129 H GLY 20 H GLY 20 6.464 3.758 4.363
130 HA2 GLY 20 HA2 GLY 20 6.405 2.523 2.424
131 HA3 GLY 20 HA3 GLY 20 6.760 3.991 1.508
132 H CYS 21 H CYS 21 7.708 1.557 0.737
133 HA CYS 21 HA CYS 21 10.669 1.982 0.706
134 HB2 CYS 21 HB2 CYS 21 10.221 0.715 2.667
135 HB3 CYS 21 HB3 CYS 21 9.271 -0.463 1.755
136 H LYS 22 H LYS 22 8.446 -0.690 -0.252
137 HA LYS 22 HA LYS 22 9.125 -0.243 -3.128
138 HB2 LYS 22 HB2 LYS 22 9.363 -2.830 -1.552
139 HB3 LYS 22 HB3 LYS 22 9.469 -2.706 -3.310
140 HG2 LYS 22 HG2 LYS 22 11.453 -1.250 -3.143
141 HG3 LYS 22 HG3 LYS 22 11.377 -1.362 -1.373
142 HD2 LYS 22 HD2 LYS 22 11.522 -3.864 -1.590
143 HD3 LYS 22 HD3 LYS 22 11.800 -3.651 -3.324
144 HE2 LYS 22 HE2 LYS 22 13.915 -4.000 -2.240
145 HE3 LYS 22 HE3 LYS 22 13.857 -2.311 -2.772
146 HZ1 LYS 22 HZ1 LYS 22 13.063 -3.149 -0.048
147 HZ2 LYS 22 HZ2 LYS 22 14.627 -2.798 -0.409
148 HZ3 LYS 22 HZ3 LYS 22 13.512 -1.615 -0.581
149 H ASN 23 H ASN 23 7.872 -2.133 -4.363
150 HA ASN 23 HA ASN 23 5.381 -1.003 -4.632
151 HB2 ASN 23 HB2 ASN 23 6.882 -2.531 -6.227
152 HB3 ASN 23 HB3 ASN 23 5.785 -3.790 -5.700
153 HD21 ASN 23 HD22 ASN 23 5.798 -3.365 -8.334
154 HD22 ASN 23 HD21 ASN 23 4.382 -2.458 -8.821
155 H GLY 24 H GLY 24 3.295 -1.843 -4.796
156 HA2 GLY 24 HA2 GLY 24 2.302 -4.116 -3.376
157 HA3 GLY 24 HA3 GLY 24 1.957 -2.623 -2.487
158 H LYS 25 H LYS 25 -0.091 -4.166 -3.497
159 HA LYS 25 HA LYS 25 -1.281 -2.393 -5.593
160 HB2 LYS 25 HB2 LYS 25 -1.103 -5.436 -5.608
161 HB3 LYS 25 HB3 LYS 25 -2.419 -4.602 -6.432
162 HG2 LYS 25 HG2 LYS 25 0.545 -4.198 -7.034
163 HG3 LYS 25 HG3 LYS 25 -0.609 -5.176 -7.962
164 HD2 LYS 25 HD2 LYS 25 -1.992 -2.908 -8.056
165 HD3 LYS 25 HD3 LYS 25 -0.400 -2.182 -7.749
166 HE2 LYS 25 HE2 LYS 25 -1.081 -4.156 -9.989
167 HE3 LYS 25 HE3 LYS 25 -1.042 -2.399 -10.197
168 HZ1 LYS 25 HZ1 LYS 25 1.310 -4.011 -9.356
169 HZ2 LYS 25 HZ2 LYS 25 1.015 -3.525 -10.884
170 HZ3 LYS 25 HZ3 LYS 25 1.306 -2.414 -9.699
171 H CYS 26 H CYS 26 -3.269 -1.834 -5.341
172 HA CYS 26 HA CYS 26 -4.961 -3.069 -3.232
173 HB2 CYS 26 HB2 CYS 26 -4.807 -0.766 -2.810
174 HB3 CYS 26 HB3 CYS 26 -4.854 -0.347 -4.523
175 H MET 27 H MET 27 -6.997 -3.819 -3.702
176 HA MET 27 HA MET 27 -7.567 -4.308 -6.601
177 HB2 MET 27 HB2 MET 27 -8.843 -5.892 -4.383
178 HB3 MET 27 HB3 MET 27 -8.673 -6.274 -6.088
179 HG2 MET 27 HG2 MET 27 -6.510 -6.251 -3.961
180 HG3 MET 27 HG3 MET 27 -7.158 -7.648 -4.807
181 HE1 MET 27 HE1 MET 27 -3.279 -7.111 -5.749
182 HE2 MET 27 HE2 MET 27 -4.068 -6.555 -4.256
183 HE3 MET 27 HE3 MET 27 -4.416 -8.179 -4.901
184 H ASN 28 H ASN 28 -9.359 -3.612 -3.554
185 HA ASN 28 HA ASN 28 -10.825 -1.452 -4.940
186 HB2 ASN 28 HB2 ASN 28 -12.258 -3.369 -5.342
187 HB3 ASN 28 HB3 ASN 28 -12.205 -3.844 -3.660
188 HD21 ASN 28 HD22 ASN 28 -14.649 -3.745 -4.528
189 HD22 ASN 28 HD21 ASN 28 -15.458 -2.280 -3.998
190 H ARG 29 H ARG 29 -11.117 -3.128 -1.734
191 HA ARG 29 HA ARG 29 -10.751 -0.479 -0.383
192 HB2 ARG 29 HB2 ARG 29 -11.796 -3.111 0.719
193 HB3 ARG 29 HB3 ARG 29 -11.793 -1.568 1.559
194 HG2 ARG 29 HG2 ARG 29 -13.360 -2.156 -0.959
195 HG3 ARG 29 HG3 ARG 29 -13.961 -2.305 0.698
196 HD2 ARG 29 HD2 ARG 29 -13.620 0.092 1.082
197 HD3 ARG 29 HD3 ARG 29 -12.965 0.283 -0.556
198 HE ARG 29 HE ARG 29 -15.615 -0.905 -0.601
199 HH11 ARG 29 HH21 ARG 29 -14.177 2.248 -0.046
200 HH12 ARG 29 HH22 ARG 29 -15.573 3.066 -0.721
201 HH21 ARG 29 HH12 ARG 29 -17.235 0.163 -1.475
202 HH22 ARG 29 HH11 ARG 29 -17.199 1.899 -1.712
203 H LYS 30 H LYS 30 -9.010 -3.397 -0.895
204 HA LYS 30 HA LYS 30 -7.354 -2.993 1.565
205 HB2 LYS 30 HB2 LYS 30 -8.346 -5.565 0.283
206 HB3 LYS 30 HB3 LYS 30 -7.231 -5.509 1.640
207 HG2 LYS 30 HG2 LYS 30 -10.091 -4.391 1.701
208 HG3 LYS 30 HG3 LYS 30 -9.610 -5.988 2.263
209 HD2 LYS 30 HD2 LYS 30 -8.140 -5.043 3.955
210 HD3 LYS 30 HD3 LYS 30 -8.492 -3.388 3.406
211 HE2 LYS 30 HE2 LYS 30 -10.836 -3.634 4.017
212 HE3 LYS 30 HE3 LYS 30 -10.581 -5.335 4.450
213 HZ1 LYS 30 HZ1 LYS 30 -9.149 -3.123 5.832
214 HZ2 LYS 30 HZ2 LYS 30 -10.566 -3.779 6.372
215 HZ3 LYS 30 HZ3 LYS 30 -9.206 -4.690 6.266
216 H CYS 31 H CYS 31 -5.280 -4.326 1.425
217 HA CYS 31 HA CYS 31 -3.881 -3.782 -1.145
218 HB2 CYS 31 HB2 CYS 31 -3.668 -1.732 -0.032
219 HB3 CYS 31 HB3 CYS 31 -3.603 -2.502 1.536
220 H LYS 32 H LYS 32 -2.154 -4.984 -1.583
221 HA LYS 32 HA LYS 32 -0.944 -6.935 0.336
222 HB2 LYS 32 HB2 LYS 32 -2.126 -8.173 -1.327
223 HB3 LYS 32 HB3 LYS 32 -1.776 -6.990 -2.583
224 HG2 LYS 32 HG2 LYS 32 -0.596 -8.911 -3.133
225 HG3 LYS 32 HG3 LYS 32 0.580 -7.703 -2.665
226 HD2 LYS 32 HD2 LYS 32 0.762 -8.850 -0.405
227 HD3 LYS 32 HD3 LYS 32 -0.347 -10.108 -1.020
228 HE2 LYS 32 HE2 LYS 32 1.202 -10.369 -2.988
229 HE3 LYS 32 HE3 LYS 32 2.309 -9.225 -2.217
230 HZ1 LYS 32 HZ1 LYS 32 2.938 -11.546 -1.791
231 HZ2 LYS 32 HZ2 LYS 32 2.580 -10.792 -0.386
232 HZ3 LYS 32 HZ3 LYS 32 1.494 -11.844 -1.044
233 H CYS 33 H CYS 33 1.225 -6.602 0.660
234 HA CYS 33 HA CYS 33 2.685 -4.744 -1.175
235 HB2 CYS 33 HB2 CYS 33 2.217 -4.388 1.518
236 HB3 CYS 33 HB3 CYS 33 3.826 -5.078 1.504
237 H TYR 34 H TYR 34 4.826 -5.279 -1.823
238 HA TYR 34 HA TYR 34 5.083 -8.245 -1.976
239 HB2 TYR 34 HB2 TYR 34 5.759 -5.979 -3.865
240 HB3 TYR 34 HB3 TYR 34 6.316 -7.624 -4.118
241 HD1 TYR 34 HD2 TYR 34 4.607 -9.521 -4.045
242 HD2 TYR 34 HD1 TYR 34 3.623 -5.395 -4.821
243 HE1 TYR 34 HE2 TYR 34 2.502 -10.239 -5.167
244 HE2 TYR 34 HE1 TYR 34 1.500 -6.116 -5.923
245 HH TYR 34 HH TYR 34 0.127 -7.958 -6.534
246 H TYR 35 H TYR 35 7.427 -5.508 -1.898
247 HA TYR 35 HA TYR 35 9.628 -7.550 -1.641
248 HB2 TYR 35 HB2 TYR 35 9.708 -4.830 -2.860
249 HB3 TYR 35 HB3 TYR 35 10.930 -6.087 -2.983
250 HD1 TYR 35 HD1 TYR 35 9.973 -8.400 -4.034
251 HD2 TYR 35 HD2 TYR 35 8.354 -4.456 -4.700
252 HE1 TYR 35 HE1 TYR 35 8.935 -9.172 -6.151
253 HE2 TYR 35 HE2 TYR 35 7.313 -5.246 -6.822
254 HH TYR 35 HH TYR 35 7.615 -8.635 -7.923
255 H CYS 36 H CYS 36 8.321 -5.120 0.331
256 HA CYS 36 HA CYS 36 10.868 -5.164 1.905
257 HB2 CYS 36 HB2 CYS 36 10.626 -3.179 0.413
258 HB3 CYS 36 HB3 CYS 36 9.194 -2.713 1.336
Start of MODEL 5
1 H1 ALA 1 H1 ALA 1 3.051 -6.219 6.720
2 H2 ALA 1 H2 ALA 1 3.224 -5.486 5.249
3 H3 ALA 1 H3 ALA 1 2.237 -6.792 5.421
4 HA ALA 1 HA ALA 1 0.834 -5.564 6.956
5 HB1 ALA 1 HB1 ALA 1 2.481 -3.869 7.634
6 HB2 ALA 1 HB2 ALA 1 2.544 -3.248 5.974
7 HB3 ALA 1 HB3 ALA 1 1.048 -3.097 6.931
8 H ALA 2 H ALA 2 -1.110 -5.181 6.087
9 HA ALA 2 HA ALA 2 -1.455 -4.006 3.430
10 HB1 ALA 2 HB1 ALA 2 -2.740 -5.962 2.574
11 HB2 ALA 2 HB2 ALA 2 -1.066 -6.418 2.924
12 HB3 ALA 2 HB3 ALA 2 -2.358 -6.865 4.055
13 H ALA 3 H ALA 3 -2.668 -4.858 6.545
14 HA ALA 3 HA ALA 3 -5.453 -4.469 6.086
15 HB1 ALA 3 HB1 ALA 3 -4.521 -5.937 7.777
16 HB2 ALA 3 HB2 ALA 3 -3.791 -4.554 8.622
17 HB3 ALA 3 HB3 ALA 3 -5.562 -4.709 8.524
18 H ILE 4 H ILE 4 -4.927 -2.414 4.884
19 HA ILE 4 HA ILE 4 -6.014 -0.209 6.528
20 HB ILE 4 HB ILE 4 -4.722 1.449 5.121
21 HG12 ILE 4 HG12 ILE 4 -3.109 -1.011 4.344
22 HG13 ILE 4 HG13 ILE 4 -3.945 0.152 3.308
23 HG21 ILE 4 HG21 ILE 4 -2.873 1.535 6.615
24 HG22 ILE 4 HG22 ILE 4 -4.236 0.877 7.526
25 HG23 ILE 4 HG23 ILE 4 -2.957 -0.215 6.948
26 HD11 ILE 4 HD11 ILE 4 -1.621 0.633 3.192
27 HD12 ILE 4 HD12 ILE 4 -2.331 1.918 4.213
28 HD13 ILE 4 HD13 ILE 4 -1.431 0.571 4.942
29 H SER 5 H SER 5 -7.397 1.186 5.404
30 HA SER 5 HA SER 5 -8.872 0.201 3.147
31 HB2 SER 5 HB2 SER 5 -8.539 3.048 4.187
32 HB3 SER 5 HB3 SER 5 -9.775 2.502 3.053
33 HG SER 5 HG SER 5 -10.447 2.682 5.276
34 H CYS 6 H CYS 6 -8.075 0.000 1.124
35 HA CYS 6 HA CYS 6 -5.497 0.976 0.494
36 HB2 CYS 6 HB2 CYS 6 -6.674 -1.065 -0.352
37 HB3 CYS 6 HB3 CYS 6 -7.537 -0.010 -1.489
38 H VAL 7 H VAL 7 -8.568 2.631 0.022
39 HA VAL 7 HA VAL 7 -7.568 4.520 -1.942
40 HB VAL 7 HB VAL 7 -9.345 5.992 -1.261
41 HG11 VAL 7 HG11 VAL 7 -9.724 4.025 -2.769
42 HG12 VAL 7 HG12 VAL 7 -10.368 3.130 -1.378
43 HG13 VAL 7 HG13 VAL 7 -11.169 4.611 -1.936
44 HG21 VAL 7 HG21 VAL 7 -9.544 5.778 1.148
45 HG22 VAL 7 HG22 VAL 7 -11.060 5.293 0.409
46 HG23 VAL 7 HG23 VAL 7 -9.947 4.053 1.014
47 H GLY 8 H GLY 8 -7.460 4.442 1.571
48 HA2 GLY 8 HA2 GLY 8 -7.018 6.192 3.088
49 HA3 GLY 8 HA3 GLY 8 -5.423 5.751 2.525
50 H SER 9 H SER 9 -4.123 7.315 1.990
51 HA SER 9 HA SER 9 -5.344 9.767 0.745
52 HB2 SER 9 HB2 SER 9 -4.197 9.786 3.183
53 HB3 SER 9 HB3 SER 9 -2.802 10.213 2.189
54 HG SER 9 HG SER 9 -3.692 12.121 2.381
55 HA PRO 10 HA PRO 10 -1.448 9.004 -1.935
56 HB2 PRO 10 HB2 PRO 10 0.452 7.223 -1.265
57 HB3 PRO 10 HB3 PRO 10 0.402 8.834 -0.498
58 HG2 PRO 10 HG2 PRO 10 -0.810 6.252 0.584
59 HG3 PRO 10 HG3 PRO 10 0.359 7.341 1.413
60 HD2 PRO 10 HD2 PRO 10 -2.325 7.517 1.769
61 HD3 PRO 10 HD3 PRO 10 -1.281 8.980 1.696
62 H GLU 11 H GLU 11 -0.506 6.858 -3.263
63 HA GLU 11 HA GLU 11 -2.883 5.363 -3.932
64 HB2 GLU 11 HB2 GLU 11 -0.104 5.453 -5.059
65 HB3 GLU 11 HB3 GLU 11 -1.222 4.170 -5.526
66 HG2 GLU 11 HG2 GLU 11 -1.390 5.980 -7.114
67 HG3 GLU 11 HG3 GLU 11 -2.897 5.817 -6.218
68 H CYS 12 H CYS 12 0.290 3.734 -3.034
69 HA CYS 12 HA CYS 12 -1.159 2.287 -0.958
70 HB2 CYS 12 HB2 CYS 12 -2.008 0.989 -2.747
71 HB3 CYS 12 HB3 CYS 12 -0.427 0.742 -3.439
72 HA PRO 13 HA PRO 13 3.277 0.485 -0.700
73 HB2 PRO 13 HB2 PRO 13 5.281 1.970 -2.054
74 HB3 PRO 13 HB3 PRO 13 4.645 0.347 -2.434
75 HG2 PRO 13 HG2 PRO 13 3.895 3.012 -3.593
76 HG3 PRO 13 HG3 PRO 13 3.979 1.438 -4.426
77 HD2 PRO 13 HD2 PRO 13 1.629 2.546 -3.708
78 HD3 PRO 13 HD3 PRO 13 1.881 0.786 -3.610
79 HA PRO 14 HA PRO 14 5.039 4.453 1.315
80 HB2 PRO 14 HB2 PRO 14 3.715 6.834 1.167
81 HB3 PRO 14 HB3 PRO 14 4.933 6.319 -0.035
82 HG2 PRO 14 HG2 PRO 14 1.929 5.991 -0.177
83 HG3 PRO 14 HG3 PRO 14 3.010 6.721 -1.418
84 HD2 PRO 14 HD2 PRO 14 2.204 4.176 -1.611
85 HD3 PRO 14 HD3 PRO 14 3.915 4.592 -1.964
86 H LYS 15 H LYS 15 1.658 3.555 1.277
87 HA LYS 15 HA LYS 15 1.345 4.392 4.133
88 HB2 LYS 15 HB2 LYS 15 -0.979 4.055 3.962
89 HB3 LYS 15 HB3 LYS 15 -0.437 5.211 2.765
90 HG2 LYS 15 HG2 LYS 15 -0.795 3.701 0.950
91 HG3 LYS 15 HG3 LYS 15 -0.839 2.303 2.021
92 HD2 LYS 15 HD2 LYS 15 -3.110 2.485 1.716
93 HD3 LYS 15 HD3 LYS 15 -2.960 3.608 3.048
94 HE2 LYS 15 HE2 LYS 15 -4.106 4.942 1.710
95 HE3 LYS 15 HE3 LYS 15 -2.503 5.405 1.182
96 HZ1 LYS 15 HZ1 LYS 15 -3.866 5.016 -0.717
97 HZ2 LYS 15 HZ2 LYS 15 -2.856 3.765 -0.699
98 HZ3 LYS 15 HZ3 LYS 15 -4.400 3.564 -0.199
99 H CYS 16 H CYS 16 2.155 1.543 2.393
100 HA CYS 16 HA CYS 16 1.012 -0.445 4.011
101 HB2 CYS 16 HB2 CYS 16 3.709 -0.342 2.621
102 HB3 CYS 16 HB3 CYS 16 3.101 -1.784 3.431
103 H ARG 17 H ARG 17 3.857 1.567 4.799
104 HA ARG 17 HA ARG 17 3.754 0.678 7.638
105 HB2 ARG 17 HB2 ARG 17 6.415 1.150 6.258
106 HB3 ARG 17 HB3 ARG 17 6.093 0.431 7.828
107 HG2 ARG 17 HG2 ARG 17 5.112 -1.562 6.660
108 HG3 ARG 17 HG3 ARG 17 5.568 -0.805 5.100
109 HD2 ARG 17 HD2 ARG 17 7.902 -0.784 5.714
110 HD3 ARG 17 HD3 ARG 17 7.528 -1.380 7.348
111 HE ARG 17 HE ARG 17 6.554 -3.241 5.387
112 HH11 ARG 17 HH11 ARG 17 9.595 -2.276 6.954
113 HH12 ARG 17 HH12 ARG 17 10.310 -3.842 6.550
114 HH21 ARG 17 HH21 ARG 17 7.769 -5.137 4.819
115 HH22 ARG 17 HH22 ARG 17 9.340 -5.307 5.590
116 H ALA 18 H ALA 18 5.079 2.305 9.015
117 HA ALA 18 HA ALA 18 4.319 5.007 8.588
118 HB1 ALA 18 HB1 ALA 18 5.898 5.443 10.436
119 HB2 ALA 18 HB2 ALA 18 4.918 3.995 10.753
120 HB3 ALA 18 HB3 ALA 18 6.606 3.825 10.220
121 H GLN 19 H GLN 19 7.136 3.288 7.399
122 HA GLN 19 HA GLN 19 8.087 5.702 5.906
123 HB2 GLN 19 HB2 GLN 19 10.217 4.567 5.701
124 HB3 GLN 19 HB3 GLN 19 9.780 4.942 7.358
125 HG2 GLN 19 HG2 GLN 19 9.213 2.182 6.196
126 HG3 GLN 19 HG3 GLN 19 10.806 2.651 6.772
127 HE21 GLN 19 HE22 GLN 19 11.020 3.345 9.065
128 HE22 GLN 19 HE21 GLN 19 9.818 2.814 10.256
129 H GLY 20 H GLY 20 6.148 3.123 5.389
130 HA2 GLY 20 HA2 GLY 20 5.370 1.963 3.620
131 HA3 GLY 20 HA3 GLY 20 6.134 3.179 2.574
132 H CYS 21 H CYS 21 6.360 1.551 1.064
133 HA CYS 21 HA CYS 21 8.453 -0.562 1.420
134 HB2 CYS 21 HB2 CYS 21 5.478 -0.696 0.860
135 HB3 CYS 21 HB3 CYS 21 6.508 -1.917 0.170
136 H LYS 22 H LYS 22 8.821 -1.757 -0.676
137 HA LYS 22 HA LYS 22 9.652 -0.123 -2.788
138 HB2 LYS 22 HB2 LYS 22 8.936 -3.082 -2.811
139 HB3 LYS 22 HB3 LYS 22 9.756 -2.263 -4.146
140 HG2 LYS 22 HG2 LYS 22 11.687 -1.768 -2.801
141 HG3 LYS 22 HG3 LYS 22 10.847 -2.248 -1.330
142 HD2 LYS 22 HD2 LYS 22 10.687 -4.599 -2.259
143 HD3 LYS 22 HD3 LYS 22 11.714 -4.079 -3.591
144 HE2 LYS 22 HE2 LYS 22 13.070 -5.206 -1.921
145 HE3 LYS 22 HE3 LYS 22 13.503 -3.496 -1.983
146 HZ1 LYS 22 HZ1 LYS 22 11.813 -4.765 0.116
147 HZ2 LYS 22 HZ2 LYS 22 13.327 -4.204 0.296
148 HZ3 LYS 22 HZ3 LYS 22 12.126 -3.150 0.018
149 H ASN 23 H ASN 23 6.840 -2.323 -3.166
150 HA ASN 23 HA ASN 23 5.301 -0.278 -4.543
151 HB2 ASN 23 HB2 ASN 23 6.865 -1.360 -6.296
152 HB3 ASN 23 HB3 ASN 23 5.869 -2.804 -6.113
153 HD21 ASN 23 HD22 ASN 23 5.986 -1.761 -8.602
154 HD22 ASN 23 HD21 ASN 23 4.506 -0.877 -8.952
155 H GLY 24 H GLY 24 3.097 -1.170 -5.136
156 HA2 GLY 24 HA2 GLY 24 2.014 -3.517 -3.885
157 HA3 GLY 24 HA3 GLY 24 1.767 -2.105 -2.839
158 H LYS 25 H LYS 25 -0.406 -3.449 -3.705
159 HA LYS 25 HA LYS 25 -1.797 -1.652 -5.626
160 HB2 LYS 25 HB2 LYS 25 -0.533 -3.684 -6.702
161 HB3 LYS 25 HB3 LYS 25 -1.768 -4.683 -5.958
162 HG2 LYS 25 HG2 LYS 25 -2.408 -4.357 -8.205
163 HG3 LYS 25 HG3 LYS 25 -3.485 -3.305 -7.283
164 HD2 LYS 25 HD2 LYS 25 -1.928 -1.369 -7.827
165 HD3 LYS 25 HD3 LYS 25 -0.959 -2.488 -8.807
166 HE2 LYS 25 HE2 LYS 25 -3.038 -2.977 -10.155
167 HE3 LYS 25 HE3 LYS 25 -3.881 -1.728 -9.230
168 HZ1 LYS 25 HZ1 LYS 25 -1.554 -1.347 -11.027
169 HZ2 LYS 25 HZ2 LYS 25 -3.085 -0.746 -11.216
170 HZ3 LYS 25 HZ3 LYS 25 -2.132 -0.160 -10.029
171 H CYS 26 H CYS 26 -4.195 -2.056 -5.672
172 HA CYS 26 HA CYS 26 -5.163 -2.880 -3.024
173 HB2 CYS 26 HB2 CYS 26 -6.715 -1.830 -5.394
174 HB3 CYS 26 HB3 CYS 26 -7.326 -2.071 -3.773
175 H MET 27 H MET 27 -6.320 -4.636 -2.495
176 HA MET 27 HA MET 27 -7.609 -6.315 -4.573
177 HB2 MET 27 HB2 MET 27 -5.450 -7.403 -4.201
178 HB3 MET 27 HB3 MET 27 -5.685 -7.353 -2.443
179 HG2 MET 27 HG2 MET 27 -6.108 -9.580 -3.341
180 HG3 MET 27 HG3 MET 27 -7.548 -8.918 -2.608
181 HE1 MET 27 HE1 MET 27 -7.562 -11.506 -4.397
182 HE2 MET 27 HE2 MET 27 -8.998 -10.793 -3.637
183 HE3 MET 27 HE3 MET 27 -9.023 -11.217 -5.353
184 H ASN 28 H ASN 28 -9.706 -6.428 -4.019
185 HA ASN 28 HA ASN 28 -11.611 -5.992 -2.874
186 HB2 ASN 28 HB2 ASN 28 -10.313 -8.004 -1.012
187 HB3 ASN 28 HB3 ASN 28 -12.003 -7.514 -0.911
188 HD21 ASN 28 HD22 ASN 28 -11.043 -10.266 -1.509
189 HD22 ASN 28 HD21 ASN 28 -11.830 -10.587 -3.034
190 H ARG 29 H ARG 29 -10.168 -3.951 -2.787
191 HA ARG 29 HA ARG 29 -9.055 -2.269 -1.994
192 HB2 ARG 29 HB2 ARG 29 -10.415 -0.604 -0.935
193 HB3 ARG 29 HB3 ARG 29 -11.229 -1.445 -2.247
194 HG2 ARG 29 HG2 ARG 29 -12.502 -2.783 -0.721
195 HG3 ARG 29 HG3 ARG 29 -11.606 -2.164 0.688
196 HD2 ARG 29 HD2 ARG 29 -12.466 0.121 0.177
197 HD3 ARG 29 HD3 ARG 29 -13.354 -0.525 -1.217
198 HE ARG 29 HE ARG 29 -14.218 -2.129 0.781
199 HH11 ARG 29 HH11 ARG 29 -14.067 1.420 0.729
200 HH12 ARG 29 HH12 ARG 29 -15.579 1.570 1.590
201 HH21 ARG 29 HH21 ARG 29 -15.820 -1.771 2.303
202 HH22 ARG 29 HH22 ARG 29 -16.273 -0.148 2.754
203 H LYS 30 H LYS 30 -8.100 -4.464 -0.512
204 HA LYS 30 HA LYS 30 -6.938 -2.921 1.789
205 HB2 LYS 30 HB2 LYS 30 -6.662 -5.895 1.288
206 HB3 LYS 30 HB3 LYS 30 -6.230 -5.000 2.745
207 HG2 LYS 30 HG2 LYS 30 -9.039 -5.499 1.663
208 HG3 LYS 30 HG3 LYS 30 -8.319 -6.292 3.045
209 HD2 LYS 30 HD2 LYS 30 -8.864 -3.284 2.920
210 HD3 LYS 30 HD3 LYS 30 -10.025 -4.446 3.511
211 HE2 LYS 30 HE2 LYS 30 -7.247 -4.046 4.702
212 HE3 LYS 30 HE3 LYS 30 -8.724 -3.271 5.282
213 HZ1 LYS 30 HZ1 LYS 30 -8.093 -6.165 5.372
214 HZ2 LYS 30 HZ2 LYS 30 -8.467 -5.144 6.605
215 HZ3 LYS 30 HZ3 LYS 30 -9.637 -5.603 5.539
216 H CYS 31 H CYS 31 -4.543 -2.951 1.974
217 HA CYS 31 HA CYS 31 -3.514 -2.434 -0.804
218 HB2 CYS 31 HB2 CYS 31 -3.689 -0.499 0.548
219 HB3 CYS 31 HB3 CYS 31 -2.887 -1.288 1.890
220 H LYS 32 H LYS 32 -2.925 -4.590 -1.332
221 HA LYS 32 HA LYS 32 -1.029 -6.141 0.183
222 HB2 LYS 32 HB2 LYS 32 -2.806 -6.998 -1.377
223 HB3 LYS 32 HB3 LYS 32 -2.002 -6.200 -2.720
224 HG2 LYS 32 HG2 LYS 32 -1.475 -8.508 -2.806
225 HG3 LYS 32 HG3 LYS 32 0.007 -7.660 -2.348
226 HD2 LYS 32 HD2 LYS 32 -0.283 -8.338 -0.004
227 HD3 LYS 32 HD3 LYS 32 -1.877 -9.047 -0.373
228 HE2 LYS 32 HE2 LYS 32 -0.833 -10.567 -1.994
229 HE3 LYS 32 HE3 LYS 32 0.755 -9.872 -1.639
230 HZ1 LYS 32 HZ1 LYS 32 0.561 -10.678 0.621
231 HZ2 LYS 32 HZ2 LYS 32 -0.941 -11.301 0.350
232 HZ3 LYS 32 HZ3 LYS 32 0.380 -11.967 -0.384
233 H CYS 33 H CYS 33 0.982 -5.315 0.501
234 HA CYS 33 HA CYS 33 2.423 -3.917 -1.665
235 HB2 CYS 33 HB2 CYS 33 2.851 -4.299 1.248
236 HB3 CYS 33 HB3 CYS 33 4.293 -4.369 0.244
237 H TYR 34 H TYR 34 3.949 -4.833 -2.990
238 HA TYR 34 HA TYR 34 3.569 -7.702 -3.408
239 HB2 TYR 34 HB2 TYR 34 5.228 -5.617 -4.873
240 HB3 TYR 34 HB3 TYR 34 4.989 -7.262 -5.423
241 HD1 TYR 34 HD1 TYR 34 1.942 -7.514 -4.875
242 HD2 TYR 34 HD2 TYR 34 4.406 -4.512 -6.754
243 HE1 TYR 34 HE1 TYR 34 0.136 -7.045 -6.514
244 HE2 TYR 34 HE2 TYR 34 2.583 -4.026 -8.372
245 HH TYR 34 HH TYR 34 0.622 -4.819 -9.254
246 H TYR 35 H TYR 35 6.325 -5.711 -2.501
247 HA TYR 35 HA TYR 35 8.053 -8.120 -2.121
248 HB2 TYR 35 HB2 TYR 35 8.800 -5.541 -3.526
249 HB3 TYR 35 HB3 TYR 35 9.908 -6.863 -3.158
250 HD1 TYR 35 HD1 TYR 35 9.371 -9.210 -4.096
251 HD2 TYR 35 HD2 TYR 35 7.691 -5.552 -5.644
252 HE1 TYR 35 HE1 TYR 35 8.820 -10.357 -6.236
253 HE2 TYR 35 HE2 TYR 35 7.089 -6.717 -7.754
254 HH TYR 35 HH TYR 35 6.993 -8.751 -8.851
255 H CYS 36 H CYS 36 6.607 -6.512 -0.103
256 HA CYS 36 HA CYS 36 8.673 -6.122 1.877
257 HB2 CYS 36 HB2 CYS 36 9.094 -4.104 0.694
258 HB3 CYS 36 HB3 CYS 36 7.377 -3.789 0.463
Start of MODEL 6
1 H1 ALA 1 H1 ALA 1 2.316 -3.472 8.453
2 H2 ALA 1 H2 ALA 1 1.913 -2.302 7.380
3 H3 ALA 1 H3 ALA 1 2.490 -3.757 6.848
4 HA ALA 1 HA ALA 1 0.599 -4.910 7.579
5 HB1 ALA 1 HB1 ALA 1 0.058 -3.551 9.561
6 HB2 ALA 1 HB2 ALA 1 -0.437 -2.195 8.517
7 HB3 ALA 1 HB3 ALA 1 -1.357 -3.724 8.511
8 H ALA 2 H ALA 2 -0.476 -5.485 5.787
9 HA ALA 2 HA ALA 2 -1.119 -3.477 3.701
10 HB1 ALA 2 HB1 ALA 2 0.234 -5.560 3.286
11 HB2 ALA 2 HB2 ALA 2 -1.227 -6.505 3.588
12 HB3 ALA 2 HB3 ALA 2 -1.164 -5.351 2.240
13 H ALA 3 H ALA 3 -2.676 -5.172 6.204
14 HA ALA 3 HA ALA 3 -5.387 -5.436 5.318
15 HB1 ALA 3 HB1 ALA 3 -4.313 -6.566 7.242
16 HB2 ALA 3 HB2 ALA 3 -4.104 -4.977 8.056
17 HB3 ALA 3 HB3 ALA 3 -5.723 -5.657 7.773
18 H ILE 4 H ILE 4 -4.353 -2.789 4.654
19 HA ILE 4 HA ILE 4 -5.675 -0.822 6.450
20 HB ILE 4 HB ILE 4 -4.231 0.793 5.212
21 HG12 ILE 4 HG12 ILE 4 -2.696 -1.579 4.093
22 HG13 ILE 4 HG13 ILE 4 -4.024 -0.882 3.171
23 HG21 ILE 4 HG21 ILE 4 -2.690 -1.496 6.518
24 HG22 ILE 4 HG22 ILE 4 -2.140 0.174 6.330
25 HG23 ILE 4 HG23 ILE 4 -3.522 -0.181 7.377
26 HD11 ILE 4 HD11 ILE 4 -2.978 1.232 3.061
27 HD12 ILE 4 HD12 ILE 4 -1.686 0.724 4.200
28 HD13 ILE 4 HD13 ILE 4 -1.801 0.015 2.566
29 H SER 5 H SER 5 -6.577 1.093 5.358
30 HA SER 5 HA SER 5 -8.394 0.266 3.188
31 HB2 SER 5 HB2 SER 5 -8.269 2.846 4.755
32 HB3 SER 5 HB3 SER 5 -9.477 2.396 3.526
33 HG SER 5 HG SER 5 -9.035 1.350 6.098
34 H CYS 6 H CYS 6 -7.577 0.232 1.271
35 HA CYS 6 HA CYS 6 -5.515 1.924 0.181
36 HB2 CYS 6 HB2 CYS 6 -5.653 -0.016 -0.957
37 HB3 CYS 6 HB3 CYS 6 -7.374 -0.185 -0.666
38 H VAL 7 H VAL 7 -9.007 2.331 0.361
39 HA VAL 7 HA VAL 7 -9.257 4.570 -1.413
40 HB VAL 7 HB VAL 7 -11.378 4.961 -0.197
41 HG11 VAL 7 HG11 VAL 7 -11.266 3.347 -2.034
42 HG12 VAL 7 HG12 VAL 7 -10.908 2.039 -0.891
43 HG13 VAL 7 HG13 VAL 7 -12.463 2.884 -0.821
44 HG21 VAL 7 HG21 VAL 7 -12.145 3.471 1.537
45 HG22 VAL 7 HG22 VAL 7 -10.623 2.577 1.555
46 HG23 VAL 7 HG23 VAL 7 -10.683 4.272 2.115
47 H GLY 8 H GLY 8 -7.580 4.435 1.448
48 HA2 GLY 8 HA2 GLY 8 -8.280 6.576 3.063
49 HA3 GLY 8 HA3 GLY 8 -6.671 5.861 2.830
50 H SER 9 H SER 9 -5.199 6.746 1.295
51 HA SER 9 HA SER 9 -6.047 9.182 -0.179
52 HB2 SER 9 HB2 SER 9 -5.409 10.310 1.774
53 HB3 SER 9 HB3 SER 9 -4.021 9.276 2.059
54 HG SER 9 HG SER 9 -2.937 10.742 1.066
55 HA PRO 10 HA PRO 10 -2.313 7.155 -2.236
56 HB2 PRO 10 HB2 PRO 10 -0.474 5.701 -0.946
57 HB3 PRO 10 HB3 PRO 10 -0.457 7.495 -0.782
58 HG2 PRO 10 HG2 PRO 10 -1.730 5.442 1.046
59 HG3 PRO 10 HG3 PRO 10 -0.590 6.739 1.539
60 HD2 PRO 10 HD2 PRO 10 -3.335 6.981 1.715
61 HD3 PRO 10 HD3 PRO 10 -2.262 8.362 1.295
62 H GLU 11 H GLU 11 -2.023 4.997 -3.178
63 HA GLU 11 HA GLU 11 -4.165 3.161 -2.753
64 HB2 GLU 11 HB2 GLU 11 -1.565 2.486 -4.170
65 HB3 GLU 11 HB3 GLU 11 -3.146 1.761 -4.366
66 HG2 GLU 11 HG2 GLU 11 -3.115 3.017 -6.249
67 HG3 GLU 11 HG3 GLU 11 -3.802 4.234 -5.176
68 H CYS 12 H CYS 12 -0.654 2.442 -2.238
69 HA CYS 12 HA CYS 12 -1.394 0.739 0.090
70 HB2 CYS 12 HB2 CYS 12 -2.015 -0.555 -1.800
71 HB3 CYS 12 HB3 CYS 12 -0.496 -0.294 -2.598
72 HA PRO 13 HA PRO 13 3.257 0.073 -0.016
73 HB2 PRO 13 HB2 PRO 13 4.874 1.818 -1.575
74 HB3 PRO 13 HB3 PRO 13 4.488 0.096 -1.869
75 HG2 PRO 13 HG2 PRO 13 3.222 2.555 -3.044
76 HG3 PRO 13 HG3 PRO 13 3.494 0.962 -3.792
77 HD2 PRO 13 HD2 PRO 13 1.052 1.744 -2.895
78 HD3 PRO 13 HD3 PRO 13 1.599 0.055 -2.796
79 HA PRO 14 HA PRO 14 4.644 4.275 1.746
80 HB2 PRO 14 HB2 PRO 14 3.218 6.565 1.443
81 HB3 PRO 14 HB3 PRO 14 4.353 5.970 0.188
82 HG2 PRO 14 HG2 PRO 14 1.362 5.536 0.346
83 HG3 PRO 14 HG3 PRO 14 2.296 6.188 -1.045
84 HD2 PRO 14 HD2 PRO 14 1.621 3.570 -0.936
85 HD3 PRO 14 HD3 PRO 14 3.250 4.076 -1.499
86 H LYS 15 H LYS 15 1.340 3.251 1.846
87 HA LYS 15 HA LYS 15 0.874 4.246 4.612
88 HB2 LYS 15 HB2 LYS 15 -0.797 4.303 2.603
89 HB3 LYS 15 HB3 LYS 15 -1.071 2.614 2.995
90 HG2 LYS 15 HG2 LYS 15 -1.531 3.500 5.425
91 HG3 LYS 15 HG3 LYS 15 -1.532 5.099 4.688
92 HD2 LYS 15 HD2 LYS 15 -3.561 2.874 4.338
93 HD3 LYS 15 HD3 LYS 15 -3.763 4.486 4.944
94 HE2 LYS 15 HE2 LYS 15 -4.644 4.873 2.917
95 HE3 LYS 15 HE3 LYS 15 -2.970 5.211 2.511
96 HZ1 LYS 15 HZ1 LYS 15 -2.894 2.826 1.690
97 HZ2 LYS 15 HZ2 LYS 15 -4.536 2.775 1.965
98 HZ3 LYS 15 HZ3 LYS 15 -3.906 3.790 0.851
99 H CYS 16 H CYS 16 2.093 1.492 3.023
100 HA CYS 16 HA CYS 16 1.198 -0.559 4.794
101 HB2 CYS 16 HB2 CYS 16 2.030 -0.760 2.428
102 HB3 CYS 16 HB3 CYS 16 3.675 -0.549 3.027
103 H ARG 17 H ARG 17 3.855 1.715 5.030
104 HA ARG 17 HA ARG 17 4.248 1.298 7.828
105 HB2 ARG 17 HB2 ARG 17 6.624 0.702 7.761
106 HB3 ARG 17 HB3 ARG 17 5.635 -0.555 7.029
107 HG2 ARG 17 HG2 ARG 17 6.216 0.425 4.742
108 HG3 ARG 17 HG3 ARG 17 7.319 1.524 5.584
109 HD2 ARG 17 HD2 ARG 17 8.550 -0.219 4.701
110 HD3 ARG 17 HD3 ARG 17 8.570 -0.440 6.456
111 HE ARG 17 HE ARG 17 6.517 -2.082 5.755
112 HH11 ARG 17 HH11 ARG 17 9.734 -1.968 4.279
113 HH12 ARG 17 HH12 ARG 17 9.657 -3.721 4.004
114 HH21 ARG 17 HH22 ARG 17 6.622 -4.245 5.360
115 HH22 ARG 17 HH21 ARG 17 8.015 -4.870 4.490
116 H ALA 18 H ALA 18 6.000 2.780 8.625
117 HA ALA 18 HA ALA 18 5.399 5.388 7.870
118 HB1 ALA 18 HB1 ALA 18 7.810 4.342 9.396
119 HB2 ALA 18 HB2 ALA 18 7.177 6.002 9.458
120 HB3 ALA 18 HB3 ALA 18 6.200 4.652 10.075
121 H GLN 19 H GLN 19 8.530 3.727 7.112
122 HA GLN 19 HA GLN 19 9.291 5.961 5.355
123 HB2 GLN 19 HB2 GLN 19 11.372 5.026 5.090
124 HB3 GLN 19 HB3 GLN 19 10.963 4.726 6.769
125 HG2 GLN 19 HG2 GLN 19 10.563 2.343 6.265
126 HG3 GLN 19 HG3 GLN 19 10.752 2.640 4.536
127 HE21 GLN 19 HE22 GLN 19 12.575 2.896 7.626
128 HE22 GLN 19 HE21 GLN 19 14.163 2.702 6.873
129 H GLY 20 H GLY 20 7.085 3.698 4.861
130 HA2 GLY 20 HA2 GLY 20 6.012 2.851 3.088
131 HA3 GLY 20 HA3 GLY 20 7.055 3.782 2.006
132 H CYS 21 H CYS 21 6.040 1.403 1.381
133 HA CYS 21 HA CYS 21 8.232 -0.632 1.351
134 HB2 CYS 21 HB2 CYS 21 5.949 -1.376 1.855
135 HB3 CYS 21 HB3 CYS 21 5.355 -0.561 0.412
136 H LYS 22 H LYS 22 8.822 -1.471 -0.729
137 HA LYS 22 HA LYS 22 9.587 0.456 -2.699
138 HB2 LYS 22 HB2 LYS 22 9.320 -2.568 -3.051
139 HB3 LYS 22 HB3 LYS 22 10.232 -1.458 -4.076
140 HG2 LYS 22 HG2 LYS 22 11.692 -0.902 -2.088
141 HG3 LYS 22 HG3 LYS 22 10.826 -2.166 -1.181
142 HD2 LYS 22 HD2 LYS 22 11.487 -3.845 -2.880
143 HD3 LYS 22 HD3 LYS 22 12.381 -2.582 -3.757
144 HE2 LYS 22 HE2 LYS 22 14.118 -3.467 -2.559
145 HE3 LYS 22 HE3 LYS 22 13.587 -2.233 -1.419
146 HZ1 LYS 22 HZ1 LYS 22 12.207 -4.073 -0.376
147 HZ2 LYS 22 HZ2 LYS 22 12.952 -5.138 -1.371
148 HZ3 LYS 22 HZ3 LYS 22 13.832 -4.305 -0.259
149 H ASN 23 H ASN 23 6.986 -2.007 -2.921
150 HA ASN 23 HA ASN 23 5.295 -0.266 -4.502
151 HB2 ASN 23 HB2 ASN 23 7.046 -1.204 -6.153
152 HB3 ASN 23 HB3 ASN 23 6.319 -2.780 -5.879
153 HD21 ASN 23 HD22 ASN 23 6.239 -2.350 -8.314
154 HD22 ASN 23 HD21 ASN 23 4.719 -1.659 -8.902
155 H GLY 24 H GLY 24 3.287 -1.534 -5.222
156 HA2 GLY 24 HA2 GLY 24 2.543 -4.005 -3.978
157 HA3 GLY 24 HA3 GLY 24 1.913 -2.644 -3.044
158 H LYS 25 H LYS 25 -0.114 -3.752 -3.683
159 HA LYS 25 HA LYS 25 -1.300 -2.236 -5.892
160 HB2 LYS 25 HB2 LYS 25 -0.552 -4.870 -6.427
161 HB3 LYS 25 HB3 LYS 25 -2.251 -5.047 -5.980
162 HG2 LYS 25 HG2 LYS 25 -2.724 -3.112 -7.601
163 HG3 LYS 25 HG3 LYS 25 -1.047 -3.251 -8.129
164 HD2 LYS 25 HD2 LYS 25 -1.516 -5.629 -8.804
165 HD3 LYS 25 HD3 LYS 25 -3.209 -5.395 -8.310
166 HE2 LYS 25 HE2 LYS 25 -3.285 -3.383 -9.881
167 HE3 LYS 25 HE3 LYS 25 -1.680 -3.847 -10.455
168 HZ1 LYS 25 HZ1 LYS 25 -3.435 -4.712 -11.888
169 HZ2 LYS 25 HZ2 LYS 25 -2.665 -5.988 -11.159
170 HZ3 LYS 25 HZ3 LYS 25 -4.139 -5.490 -10.644
171 H CYS 26 H CYS 26 -3.715 -2.378 -5.950
172 HA CYS 26 HA CYS 26 -4.908 -3.042 -3.292
173 HB2 CYS 26 HB2 CYS 26 -4.706 -0.686 -3.427
174 HB3 CYS 26 HB3 CYS 26 -5.328 -0.639 -5.077
175 H MET 27 H MET 27 -6.244 -4.715 -3.454
176 HA MET 27 HA MET 27 -7.244 -5.515 -6.087
177 HB2 MET 27 HB2 MET 27 -7.575 -6.922 -3.428
178 HB3 MET 27 HB3 MET 27 -7.811 -7.606 -5.036
179 HG2 MET 27 HG2 MET 27 -5.196 -6.717 -3.764
180 HG3 MET 27 HG3 MET 27 -5.703 -8.360 -4.170
181 HE1 MET 27 HE1 MET 27 -3.471 -8.946 -5.374
182 HE2 MET 27 HE2 MET 27 -2.688 -7.907 -6.593
183 HE3 MET 27 HE3 MET 27 -2.841 -7.340 -4.907
184 H ASN 28 H ASN 28 -8.681 -3.940 -3.386
185 HA ASN 28 HA ASN 28 -10.996 -3.315 -4.930
186 HB2 ASN 28 HB2 ASN 28 -12.771 -4.080 -3.457
187 HB3 ASN 28 HB3 ASN 28 -11.932 -5.420 -4.181
188 HD21 ASN 28 HD22 ASN 28 -13.627 -5.668 -1.952
189 HD22 ASN 28 HD21 ASN 28 -12.659 -6.052 -0.536
190 H ARG 29 H ARG 29 -10.834 -3.381 -1.372
191 HA ARG 29 HA ARG 29 -9.973 -0.536 -1.309
192 HB2 ARG 29 HB2 ARG 29 -11.326 -0.147 0.642
193 HB3 ARG 29 HB3 ARG 29 -12.344 -0.628 -0.697
194 HG2 ARG 29 HG2 ARG 29 -12.975 -2.627 0.264
195 HG3 ARG 29 HG3 ARG 29 -11.470 -2.842 1.152
196 HD2 ARG 29 HD2 ARG 29 -13.433 -0.640 1.846
197 HD3 ARG 29 HD3 ARG 29 -13.574 -2.264 2.525
198 HE ARG 29 HE ARG 29 -11.580 -0.221 3.170
199 HH11 ARG 29 HH11 ARG 29 -12.520 -3.577 3.694
200 HH12 ARG 29 HH12 ARG 29 -11.604 -3.638 5.158
201 HH21 ARG 29 HH21 ARG 29 -10.293 -0.526 4.991
202 HH22 ARG 29 HH22 ARG 29 -10.071 -2.160 5.596
203 H LYS 30 H LYS 30 -8.900 -3.551 -0.789
204 HA LYS 30 HA LYS 30 -7.172 -2.798 1.535
205 HB2 LYS 30 HB2 LYS 30 -8.199 -5.520 0.671
206 HB3 LYS 30 HB3 LYS 30 -6.940 -5.272 1.894
207 HG2 LYS 30 HG2 LYS 30 -8.502 -3.861 3.227
208 HG3 LYS 30 HG3 LYS 30 -9.787 -4.176 2.057
209 HD2 LYS 30 HD2 LYS 30 -8.371 -6.298 3.709
210 HD3 LYS 30 HD3 LYS 30 -9.947 -5.582 4.086
211 HE2 LYS 30 HE2 LYS 30 -10.819 -6.413 1.888
212 HE3 LYS 30 HE3 LYS 30 -9.271 -7.211 1.597
213 HZ1 LYS 30 HZ1 LYS 30 -10.783 -8.798 2.565
214 HZ2 LYS 30 HZ2 LYS 30 -9.665 -8.422 3.730
215 HZ3 LYS 30 HZ3 LYS 30 -11.165 -7.786 3.800
216 H CYS 31 H CYS 31 -5.027 -3.673 1.556
217 HA CYS 31 HA CYS 31 -3.727 -3.311 -1.111
218 HB2 CYS 31 HB2 CYS 31 -3.334 -1.422 0.184
219 HB3 CYS 31 HB3 CYS 31 -3.368 -2.319 1.671
220 H LYS 32 H LYS 32 -1.725 -4.217 -1.503
221 HA LYS 32 HA LYS 32 -0.787 -6.528 0.123
222 HB2 LYS 32 HB2 LYS 32 -1.389 -6.518 -2.872
223 HB3 LYS 32 HB3 LYS 32 -0.351 -7.699 -2.108
224 HG2 LYS 32 HG2 LYS 32 -3.306 -7.286 -1.511
225 HG3 LYS 32 HG3 LYS 32 -2.615 -8.575 -2.483
226 HD2 LYS 32 HD2 LYS 32 -2.150 -8.191 0.511
227 HD3 LYS 32 HD3 LYS 32 -3.235 -9.350 -0.248
228 HE2 LYS 32 HE2 LYS 32 -1.242 -10.370 -1.418
229 HE3 LYS 32 HE3 LYS 32 -0.201 -9.273 -0.502
230 HZ1 LYS 32 HZ1 LYS 32 -1.099 -10.288 1.552
231 HZ2 LYS 32 HZ2 LYS 32 -1.998 -11.333 0.651
232 HZ3 LYS 32 HZ3 LYS 32 -0.365 -11.403 0.577
233 H CYS 33 H CYS 33 1.287 -6.219 0.593
234 HA CYS 33 HA CYS 33 2.843 -4.197 -0.939
235 HB2 CYS 33 HB2 CYS 33 3.440 -5.415 1.771
236 HB3 CYS 33 HB3 CYS 33 4.171 -3.984 1.039
237 H TYR 34 H TYR 34 4.095 -4.939 -2.557
238 HA TYR 34 HA TYR 34 4.341 -7.724 -3.013
239 HB2 TYR 34 HB2 TYR 34 5.642 -5.358 -4.390
240 HB3 TYR 34 HB3 TYR 34 5.730 -7.008 -4.970
241 HD1 TYR 34 HD2 TYR 34 2.673 -7.736 -4.418
242 HD2 TYR 34 HD1 TYR 34 4.776 -4.525 -6.413
243 HE1 TYR 34 HE2 TYR 34 0.894 -7.613 -6.129
244 HE2 TYR 34 HE1 TYR 34 2.948 -4.368 -8.072
245 HH TYR 34 HH TYR 34 1.016 -5.259 -8.837
246 H TYR 35 H TYR 35 7.096 -5.480 -2.392
247 HA TYR 35 HA TYR 35 8.863 -7.890 -2.095
248 HB2 TYR 35 HB2 TYR 35 9.586 -5.366 -3.605
249 HB3 TYR 35 HB3 TYR 35 10.474 -6.881 -3.556
250 HD1 TYR 35 HD2 TYR 35 8.950 -9.014 -4.363
251 HD2 TYR 35 HD1 TYR 35 8.483 -4.902 -5.602
252 HE1 TYR 35 HE2 TYR 35 7.778 -9.765 -6.417
253 HE2 TYR 35 HE1 TYR 35 7.279 -5.658 -7.638
254 HH TYR 35 HH TYR 35 6.750 -9.133 -8.340
255 H CYS 36 H CYS 36 7.941 -6.472 0.206
256 HA CYS 36 HA CYS 36 10.444 -5.310 1.277
257 HB2 CYS 36 HB2 CYS 36 9.220 -3.293 1.758
258 HB3 CYS 36 HB3 CYS 36 9.023 -3.649 0.067
Start of MODEL 7
1 H1 ALA 1 H1 ALA 1 5.181 -5.988 4.192
2 H2 ALA 1 H2 ALA 1 4.601 -6.505 5.655
3 H3 ALA 1 H3 ALA 1 4.653 -4.908 5.316
4 HA ALA 1 HA ALA 1 3.027 -5.105 3.601
5 HB1 ALA 1 HB1 ALA 1 2.956 -8.041 4.431
6 HB2 ALA 1 HB2 ALA 1 1.854 -7.267 3.278
7 HB3 ALA 1 HB3 ALA 1 3.573 -7.414 2.889
8 H ALA 2 H ALA 2 0.968 -4.365 4.283
9 HA ALA 2 HA ALA 2 -0.083 -5.249 6.865
10 HB1 ALA 2 HB1 ALA 2 0.490 -2.317 6.272
11 HB2 ALA 2 HB2 ALA 2 -0.392 -2.954 7.677
12 HB3 ALA 2 HB3 ALA 2 1.333 -3.320 7.475
13 H ALA 3 H ALA 3 -2.376 -5.049 6.957
14 HA ALA 3 HA ALA 3 -3.606 -4.754 4.277
15 HB1 ALA 3 HB1 ALA 3 -5.536 -5.790 5.303
16 HB2 ALA 3 HB2 ALA 3 -4.065 -6.783 5.507
17 HB3 ALA 3 HB3 ALA 3 -4.700 -5.823 6.878
18 H ILE 4 H ILE 4 -3.565 -2.540 4.010
19 HA ILE 4 HA ILE 4 -4.886 -0.843 6.023
20 HB ILE 4 HB ILE 4 -3.788 1.004 4.967
21 HG12 ILE 4 HG12 ILE 4 -1.664 0.122 3.624
22 HG13 ILE 4 HG13 ILE 4 -2.756 -1.148 3.091
23 HG21 ILE 4 HG21 ILE 4 -1.638 0.557 5.784
24 HG22 ILE 4 HG22 ILE 4 -2.839 -0.147 6.896
25 HG23 ILE 4 HG23 ILE 4 -1.916 -1.209 5.798
26 HD11 ILE 4 HD11 ILE 4 -4.293 0.507 2.208
27 HD12 ILE 4 HD12 ILE 4 -3.322 1.809 2.943
28 HD13 ILE 4 HD13 ILE 4 -2.665 0.855 1.605
29 H SER 5 H SER 5 -6.291 0.782 5.445
30 HA SER 5 HA SER 5 -8.223 0.338 3.345
31 HB2 SER 5 HB2 SER 5 -7.571 2.827 4.958
32 HB3 SER 5 HB3 SER 5 -9.028 2.568 3.986
33 HG SER 5 HG SER 5 -9.288 2.125 6.211
34 H CYS 6 H CYS 6 -7.624 0.393 1.286
35 HA CYS 6 HA CYS 6 -5.537 1.930 0.095
36 HB2 CYS 6 HB2 CYS 6 -6.783 -0.078 -0.820
37 HB3 CYS 6 HB3 CYS 6 -8.127 1.003 -1.177
38 H VAL 7 H VAL 7 -8.898 2.762 0.783
39 HA VAL 7 HA VAL 7 -9.388 4.739 -1.089
40 HB VAL 7 HB VAL 7 -10.904 3.473 0.495
41 HG11 VAL 7 HG11 VAL 7 -10.491 5.824 2.385
42 HG12 VAL 7 HG12 VAL 7 -11.586 4.445 2.573
43 HG13 VAL 7 HG13 VAL 7 -9.844 4.187 2.645
44 HG21 VAL 7 HG21 VAL 7 -11.707 5.200 -1.077
45 HG22 VAL 7 HG22 VAL 7 -12.688 5.027 0.383
46 HG23 VAL 7 HG23 VAL 7 -11.580 6.401 0.230
47 H GLY 8 H GLY 8 -7.556 5.148 1.809
48 HA2 GLY 8 HA2 GLY 8 -7.957 7.593 2.820
49 HA3 GLY 8 HA3 GLY 8 -6.367 6.836 2.682
50 H SER 9 H SER 9 -4.805 7.728 1.570
51 HA SER 9 HA SER 9 -5.418 10.184 -0.066
52 HB2 SER 9 HB2 SER 9 -3.468 9.818 2.185
53 HB3 SER 9 HB3 SER 9 -3.156 10.998 0.882
54 HG SER 9 HG SER 9 -4.275 11.938 2.619
55 HA PRO 10 HA PRO 10 -2.021 7.755 -2.309
56 HB2 PRO 10 HB2 PRO 10 -0.383 6.042 -1.086
57 HB3 PRO 10 HB3 PRO 10 -0.100 7.813 -0.904
58 HG2 PRO 10 HG2 PRO 10 -1.572 5.924 0.960
59 HG3 PRO 10 HG3 PRO 10 -0.257 7.067 1.405
60 HD2 PRO 10 HD2 PRO 10 -2.940 7.650 1.685
61 HD3 PRO 10 HD3 PRO 10 -1.716 8.889 1.235
62 H GLU 11 H GLU 11 -1.694 5.314 -2.978
63 HA GLU 11 HA GLU 11 -4.179 3.815 -2.441
64 HB2 GLU 11 HB2 GLU 11 -1.808 3.213 -4.250
65 HB3 GLU 11 HB3 GLU 11 -3.230 2.189 -4.060
66 HG2 GLU 11 HG2 GLU 11 -4.681 4.020 -4.906
67 HG3 GLU 11 HG3 GLU 11 -3.236 5.023 -5.149
68 H CYS 12 H CYS 12 -0.902 2.412 -2.627
69 HA CYS 12 HA CYS 12 -1.575 0.855 -0.169
70 HB2 CYS 12 HB2 CYS 12 -2.299 -0.304 -2.064
71 HB3 CYS 12 HB3 CYS 12 -0.775 -0.153 -2.882
72 HA PRO 13 HA PRO 13 2.989 0.002 -0.118
73 HB2 PRO 13 HB2 PRO 13 4.760 1.474 -1.715
74 HB3 PRO 13 HB3 PRO 13 4.218 -0.204 -1.949
75 HG2 PRO 13 HG2 PRO 13 3.283 2.294 -3.314
76 HG3 PRO 13 HG3 PRO 13 3.336 0.626 -3.938
77 HD2 PRO 13 HD2 PRO 13 1.033 1.881 -3.070
78 HD3 PRO 13 HD3 PRO 13 1.283 0.112 -3.043
79 HA PRO 14 HA PRO 14 4.569 4.202 1.369
80 HB2 PRO 14 HB2 PRO 14 3.363 6.559 0.932
81 HB3 PRO 14 HB3 PRO 14 4.380 5.794 -0.336
82 HG2 PRO 14 HG2 PRO 14 1.389 5.573 0.017
83 HG3 PRO 14 HG3 PRO 14 2.258 6.117 -1.461
84 HD2 PRO 14 HD2 PRO 14 1.416 3.561 -1.158
85 HD3 PRO 14 HD3 PRO 14 3.018 3.914 -1.899
86 H LYS 15 H LYS 15 1.368 3.043 1.583
87 HA LYS 15 HA LYS 15 0.966 4.270 4.271
88 HB2 LYS 15 HB2 LYS 15 -0.813 4.316 2.299
89 HB3 LYS 15 HB3 LYS 15 -1.189 2.692 2.890
90 HG2 LYS 15 HG2 LYS 15 -1.435 3.744 5.206
91 HG3 LYS 15 HG3 LYS 15 -1.178 5.313 4.456
92 HD2 LYS 15 HD2 LYS 15 -3.600 3.495 4.187
93 HD3 LYS 15 HD3 LYS 15 -3.463 5.064 4.908
94 HE2 LYS 15 HE2 LYS 15 -4.424 5.758 3.030
95 HE3 LYS 15 HE3 LYS 15 -2.754 5.845 2.482
96 HZ1 LYS 15 HZ1 LYS 15 -4.167 4.736 0.833
97 HZ2 LYS 15 HZ2 LYS 15 -3.144 3.623 1.384
98 HZ3 LYS 15 HZ3 LYS 15 -4.694 3.649 1.949
99 H CYS 16 H CYS 16 2.182 1.403 2.902
100 HA CYS 16 HA CYS 16 1.245 -0.481 4.867
101 HB2 CYS 16 HB2 CYS 16 3.661 -0.505 3.020
102 HB3 CYS 16 HB3 CYS 16 3.152 -1.879 4.005
103 H ARG 17 H ARG 17 3.834 1.866 5.010
104 HA ARG 17 HA ARG 17 4.419 1.249 7.834
105 HB2 ARG 17 HB2 ARG 17 6.754 1.633 5.921
106 HB3 ARG 17 HB3 ARG 17 6.791 1.185 7.612
107 HG2 ARG 17 HG2 ARG 17 5.691 -0.978 6.980
108 HG3 ARG 17 HG3 ARG 17 5.899 -0.479 5.266
109 HD2 ARG 17 HD2 ARG 17 8.309 -0.368 5.584
110 HD3 ARG 17 HD3 ARG 17 8.142 -0.800 7.293
111 HE ARG 17 HE ARG 17 7.188 -2.594 5.098
112 HH11 ARG 17 HH11 ARG 17 9.043 -2.373 8.127
113 HH12 ARG 17 HH12 ARG 17 9.531 -4.051 7.963
114 HH21 ARG 17 HH21 ARG 17 7.874 -4.807 5.142
115 HH22 ARG 17 HH22 ARG 17 8.894 -5.263 6.487
116 H ALA 18 H ALA 18 5.974 3.140 8.676
117 HA ALA 18 HA ALA 18 5.035 5.735 7.799
118 HB1 ALA 18 HB1 ALA 18 5.935 5.266 10.062
119 HB2 ALA 18 HB2 ALA 18 7.544 4.978 9.364
120 HB3 ALA 18 HB3 ALA 18 6.799 6.589 9.260
121 H GLN 19 H GLN 19 7.980 3.822 7.076
122 HA GLN 19 HA GLN 19 8.861 5.725 4.998
123 HB2 GLN 19 HB2 GLN 19 10.815 4.417 4.806
124 HB3 GLN 19 HB3 GLN 19 10.531 4.829 6.487
125 HG2 GLN 19 HG2 GLN 19 9.622 2.128 5.385
126 HG3 GLN 19 HG3 GLN 19 11.294 2.448 5.762
127 HE21 GLN 19 HE22 GLN 19 10.818 0.525 7.263
128 HE22 GLN 19 HE21 GLN 19 10.327 1.002 8.893
129 H GLY 20 H GLY 20 6.510 3.569 4.957
130 HA2 GLY 20 HA2 GLY 20 5.475 2.140 3.545
131 HA3 GLY 20 HA3 GLY 20 6.122 3.169 2.239
132 H CYS 21 H CYS 21 6.256 1.470 0.839
133 HA CYS 21 HA CYS 21 8.237 -0.692 1.318
134 HB2 CYS 21 HB2 CYS 21 5.241 -0.868 0.904
135 HB3 CYS 21 HB3 CYS 21 6.257 -2.139 0.262
136 H LYS 22 H LYS 22 8.771 -1.959 -0.515
137 HA LYS 22 HA LYS 22 9.670 -0.391 -2.650
138 HB2 LYS 22 HB2 LYS 22 9.290 -3.418 -2.682
139 HB3 LYS 22 HB3 LYS 22 10.399 -2.476 -3.686
140 HG2 LYS 22 HG2 LYS 22 11.595 -1.742 -1.583
141 HG3 LYS 22 HG3 LYS 22 10.505 -2.807 -0.667
142 HD2 LYS 22 HD2 LYS 22 11.348 -4.747 -2.018
143 HD3 LYS 22 HD3 LYS 22 12.505 -3.671 -2.791
144 HE2 LYS 22 HE2 LYS 22 13.564 -4.950 -1.015
145 HE3 LYS 22 HE3 LYS 22 13.584 -3.227 -0.611
146 HZ1 LYS 22 HZ1 LYS 22 11.517 -5.085 0.427
147 HZ2 LYS 22 HZ2 LYS 22 12.921 -4.817 1.236
148 HZ3 LYS 22 HZ3 LYS 22 11.876 -3.576 0.985
149 H ASN 23 H ASN 23 6.838 -2.616 -2.731
150 HA ASN 23 HA ASN 23 5.491 -0.778 -4.520
151 HB2 ASN 23 HB2 ASN 23 6.972 -2.465 -5.939
152 HB3 ASN 23 HB3 ASN 23 5.689 -3.606 -5.607
153 HD21 ASN 23 HD22 ASN 23 6.606 -2.419 -8.157
154 HD22 ASN 23 HD21 ASN 23 5.136 -1.711 -8.842
155 H GLY 24 H GLY 24 3.199 -1.829 -5.068
156 HA2 GLY 24 HA2 GLY 24 2.028 -3.864 -3.526
157 HA3 GLY 24 HA3 GLY 24 1.839 -2.373 -2.597
158 H LYS 25 H LYS 25 -0.331 -3.869 -3.671
159 HA LYS 25 HA LYS 25 -1.581 -1.884 -5.518
160 HB2 LYS 25 HB2 LYS 25 -0.466 -3.716 -6.848
161 HB3 LYS 25 HB3 LYS 25 -1.463 -4.889 -5.995
162 HG2 LYS 25 HG2 LYS 25 -2.495 -4.599 -8.068
163 HG3 LYS 25 HG3 LYS 25 -3.503 -3.695 -6.957
164 HD2 LYS 25 HD2 LYS 25 -2.251 -1.592 -7.735
165 HD3 LYS 25 HD3 LYS 25 -1.458 -2.612 -8.947
166 HE2 LYS 25 HE2 LYS 25 -3.711 -3.323 -9.778
167 HE3 LYS 25 HE3 LYS 25 -4.485 -2.260 -8.594
168 HZ1 LYS 25 HZ1 LYS 25 -4.385 -1.299 -10.813
169 HZ2 LYS 25 HZ2 LYS 25 -3.552 -0.354 -9.761
170 HZ3 LYS 25 HZ3 LYS 25 -2.734 -1.323 -10.803
171 H CYS 26 H CYS 26 -3.849 -1.763 -5.354
172 HA CYS 26 HA CYS 26 -5.044 -3.147 -3.025
173 HB2 CYS 26 HB2 CYS 26 -6.214 -0.972 -4.758
174 HB3 CYS 26 HB3 CYS 26 -6.845 -1.573 -3.229
175 H MET 27 H MET 27 -6.759 -4.560 -3.105
176 HA MET 27 HA MET 27 -7.257 -5.842 -5.745
177 HB2 MET 27 HB2 MET 27 -8.145 -6.707 -2.991
178 HB3 MET 27 HB3 MET 27 -8.285 -7.639 -4.481
179 HG2 MET 27 HG2 MET 27 -5.659 -6.816 -3.162
180 HG3 MET 27 HG3 MET 27 -6.456 -8.362 -3.005
181 HE1 MET 27 HE1 MET 27 -4.992 -6.005 -6.045
182 HE2 MET 27 HE2 MET 27 -3.815 -6.399 -4.765
183 HE3 MET 27 HE3 MET 27 -3.656 -7.114 -6.384
184 H ASN 28 H ASN 28 -9.394 -4.826 -3.001
185 HA ASN 28 HA ASN 28 -11.133 -3.521 -5.037
186 HB2 ASN 28 HB2 ASN 28 -12.142 -5.657 -4.137
187 HB3 ASN 28 HB3 ASN 28 -12.254 -4.877 -2.566
188 HD21 ASN 28 HD22 ASN 28 -13.373 -4.768 -5.941
189 HD22 ASN 28 HD21 ASN 28 -14.849 -3.882 -5.558
190 H ARG 29 H ARG 29 -10.957 -3.477 -1.464
191 HA ARG 29 HA ARG 29 -10.108 -0.619 -1.627
192 HB2 ARG 29 HB2 ARG 29 -11.517 0.019 0.215
193 HB3 ARG 29 HB3 ARG 29 -12.452 -0.560 -1.151
194 HG2 ARG 29 HG2 ARG 29 -12.808 -2.748 0.000
195 HG3 ARG 29 HG3 ARG 29 -11.795 -2.197 1.345
196 HD2 ARG 29 HD2 ARG 29 -14.087 -1.944 1.969
197 HD3 ARG 29 HD3 ARG 29 -13.374 -0.331 1.766
198 HE ARG 29 HE ARG 29 -14.476 -0.714 -0.691
199 HH11 ARG 29 HH11 ARG 29 -16.028 -1.239 2.437
200 HH12 ARG 29 HH12 ARG 29 -17.598 -0.859 1.784
201 HH21 ARG 29 HH21 ARG 29 -16.386 -0.354 -1.428
202 HH22 ARG 29 HH22 ARG 29 -17.820 -0.377 -0.395
203 H LYS 30 H LYS 30 -9.337 -3.655 -0.436
204 HA LYS 30 HA LYS 30 -7.392 -2.403 1.486
205 HB2 LYS 30 HB2 LYS 30 -8.345 -5.276 1.390
206 HB3 LYS 30 HB3 LYS 30 -7.081 -4.656 2.450
207 HG2 LYS 30 HG2 LYS 30 -10.009 -3.802 2.487
208 HG3 LYS 30 HG3 LYS 30 -9.227 -4.903 3.615
209 HD2 LYS 30 HD2 LYS 30 -7.741 -3.055 4.397
210 HD3 LYS 30 HD3 LYS 30 -8.593 -1.936 3.298
211 HE2 LYS 30 HE2 LYS 30 -10.724 -2.426 4.434
212 HE3 LYS 30 HE3 LYS 30 -9.905 -3.549 5.518
213 HZ1 LYS 30 HZ1 LYS 30 -9.450 -0.608 5.418
214 HZ2 LYS 30 HZ2 LYS 30 -10.213 -1.432 6.590
215 HZ3 LYS 30 HZ3 LYS 30 -8.610 -1.660 6.381
216 H CYS 31 H CYS 31 -5.342 -3.269 1.590
217 HA CYS 31 HA CYS 31 -4.138 -3.323 -1.128
218 HB2 CYS 31 HB2 CYS 31 -3.667 -1.285 -0.169
219 HB3 CYS 31 HB3 CYS 31 -3.724 -1.934 1.444
220 H LYS 32 H LYS 32 -2.608 -4.690 -1.720
221 HA LYS 32 HA LYS 32 -1.420 -6.628 0.235
222 HB2 LYS 32 HB2 LYS 32 -2.773 -7.816 -1.391
223 HB3 LYS 32 HB3 LYS 32 -2.008 -6.962 -2.739
224 HG2 LYS 32 HG2 LYS 32 0.150 -7.990 -2.271
225 HG3 LYS 32 HG3 LYS 32 -0.461 -8.736 -0.795
226 HD2 LYS 32 HD2 LYS 32 -1.516 -9.375 -3.587
227 HD3 LYS 32 HD3 LYS 32 -0.236 -10.286 -2.766
228 HE2 LYS 32 HE2 LYS 32 -1.755 -10.741 -0.873
229 HE3 LYS 32 HE3 LYS 32 -3.060 -9.894 -1.714
230 HZ1 LYS 32 HZ1 LYS 32 -3.250 -12.287 -2.141
231 HZ2 LYS 32 HZ2 LYS 32 -2.811 -11.549 -3.546
232 HZ3 LYS 32 HZ3 LYS 32 -1.706 -12.369 -2.683
233 H CYS 33 H CYS 33 0.511 -6.006 0.743
234 HA CYS 33 HA CYS 33 2.048 -4.202 -1.035
235 HB2 CYS 33 HB2 CYS 33 1.809 -4.442 1.786
236 HB3 CYS 33 HB3 CYS 33 3.491 -4.800 1.367
237 H TYR 34 H TYR 34 4.094 -4.609 -1.876
238 HA TYR 34 HA TYR 34 4.758 -7.508 -2.153
239 HB2 TYR 34 HB2 TYR 34 5.000 -5.319 -4.216
240 HB3 TYR 34 HB3 TYR 34 5.446 -6.995 -4.432
241 HD1 TYR 34 HD1 TYR 34 3.277 -8.605 -3.489
242 HD2 TYR 34 HD2 TYR 34 3.128 -4.851 -5.640
243 HE1 TYR 34 HE1 TYR 34 1.117 -9.276 -4.555
244 HE2 TYR 34 HE2 TYR 34 1.014 -5.523 -6.660
245 HH TYR 34 HH TYR 34 -0.415 -7.204 -7.038
246 H TYR 35 H TYR 35 6.780 -8.123 -2.288
247 HA TYR 35 HA TYR 35 8.910 -8.320 -1.535
248 HB2 TYR 35 HB2 TYR 35 9.164 -5.705 -3.033
249 HB3 TYR 35 HB3 TYR 35 10.500 -6.786 -2.621
250 HD1 TYR 35 HD2 TYR 35 10.766 -8.970 -3.743
251 HD2 TYR 35 HD1 TYR 35 7.690 -6.176 -4.893
252 HE1 TYR 35 HE2 TYR 35 10.488 -10.166 -5.902
253 HE2 TYR 35 HE1 TYR 35 7.367 -7.422 -7.035
254 HH TYR 35 HH TYR 35 9.300 -10.326 -7.827
255 H CYS 36 H CYS 36 7.097 -6.844 0.338
256 HA CYS 36 HA CYS 36 8.975 -5.864 2.338
257 HB2 CYS 36 HB2 CYS 36 8.944 -4.020 0.734
258 HB3 CYS 36 HB3 CYS 36 7.186 -4.011 0.740
Start of MODEL 8
1 H1 ALA 1 H1 ALA 1 4.236 -7.614 4.102
2 H2 ALA 1 H2 ALA 1 4.060 -6.403 3.019
3 H3 ALA 1 H3 ALA 1 3.927 -7.960 2.519
4 HA ALA 1 HA ALA 1 1.773 -6.956 2.659
5 HB1 ALA 1 HB1 ALA 1 0.722 -8.698 4.075
6 HB2 ALA 1 HB2 ALA 1 1.981 -9.378 3.018
7 HB3 ALA 1 HB3 ALA 1 2.308 -9.115 4.747
8 H ALA 2 H ALA 2 0.302 -5.582 3.704
9 HA ALA 2 HA ALA 2 0.258 -5.341 6.558
10 HB1 ALA 2 HB1 ALA 2 1.128 -2.911 4.908
11 HB2 ALA 2 HB2 ALA 2 0.642 -2.877 6.616
12 HB3 ALA 2 HB3 ALA 2 2.115 -3.735 6.131
13 H ALA 3 H ALA 3 -1.974 -5.409 6.837
14 HA ALA 3 HA ALA 3 -3.672 -4.660 4.580
15 HB1 ALA 3 HB1 ALA 3 -5.521 -5.313 5.979
16 HB2 ALA 3 HB2 ALA 3 -4.275 -6.574 5.847
17 HB3 ALA 3 HB3 ALA 3 -4.412 -5.600 7.348
18 H ILE 4 H ILE 4 -3.764 -2.672 4.134
19 HA ILE 4 HA ILE 4 -4.745 -0.655 6.107
20 HB ILE 4 HB ILE 4 -3.475 1.019 4.852
21 HG12 ILE 4 HG12 ILE 4 -1.362 -0.454 3.789
22 HG13 ILE 4 HG13 ILE 4 -2.751 -1.334 3.195
23 HG21 ILE 4 HG21 ILE 4 -1.746 -1.122 6.100
24 HG22 ILE 4 HG22 ILE 4 -1.357 0.601 5.848
25 HG23 ILE 4 HG23 ILE 4 -2.651 0.141 6.982
26 HD11 ILE 4 HD11 ILE 4 -2.077 0.463 1.652
27 HD12 ILE 4 HD12 ILE 4 -3.722 0.711 2.294
28 HD13 ILE 4 HD13 ILE 4 -2.347 1.637 2.955
29 H SER 5 H SER 5 -6.025 1.056 5.226
30 HA SER 5 HA SER 5 -7.867 0.375 3.108
31 HB2 SER 5 HB2 SER 5 -7.262 2.930 4.627
32 HB3 SER 5 HB3 SER 5 -8.440 2.857 3.301
33 HG SER 5 HG SER 5 -8.896 2.249 5.776
34 H CYS 6 H CYS 6 -7.409 0.335 1.050
35 HA CYS 6 HA CYS 6 -5.234 1.801 -0.255
36 HB2 CYS 6 HB2 CYS 6 -6.901 -0.367 -0.916
37 HB3 CYS 6 HB3 CYS 6 -7.426 0.925 -1.983
38 H VAL 7 H VAL 7 -8.690 2.265 0.264
39 HA VAL 7 HA VAL 7 -9.196 4.564 -1.320
40 HB VAL 7 HB VAL 7 -11.170 4.833 0.188
41 HG11 VAL 7 HG11 VAL 7 -10.634 2.018 -0.809
42 HG12 VAL 7 HG12 VAL 7 -12.221 2.719 -0.447
43 HG13 VAL 7 HG13 VAL 7 -11.244 3.380 -1.767
44 HG21 VAL 7 HG21 VAL 7 -10.180 4.037 2.335
45 HG22 VAL 7 HG22 VAL 7 -11.660 3.195 1.892
46 HG23 VAL 7 HG23 VAL 7 -10.110 2.380 1.668
47 H GLY 8 H GLY 8 -7.160 4.535 1.307
48 HA2 GLY 8 HA2 GLY 8 -7.899 6.627 3.022
49 HA3 GLY 8 HA3 GLY 8 -6.250 6.119 2.596
50 H SER 9 H SER 9 -5.055 7.111 1.038
51 HA SER 9 HA SER 9 -6.168 9.397 -0.454
52 HB2 SER 9 HB2 SER 9 -4.118 9.682 1.731
53 HB3 SER 9 HB3 SER 9 -4.121 10.799 0.338
54 HG SER 9 HG SER 9 -5.916 10.456 2.452
55 HA PRO 10 HA PRO 10 -2.236 7.802 -2.625
56 HB2 PRO 10 HB2 PRO 10 -0.259 6.516 -1.343
57 HB3 PRO 10 HB3 PRO 10 -0.381 8.304 -1.201
58 HG2 PRO 10 HG2 PRO 10 -1.474 6.195 0.682
59 HG3 PRO 10 HG3 PRO 10 -0.403 7.556 1.130
60 HD2 PRO 10 HD2 PRO 10 -3.138 7.661 1.367
61 HD3 PRO 10 HD3 PRO 10 -2.177 9.105 0.860
62 H GLU 11 H GLU 11 -1.589 5.495 -3.359
63 HA GLU 11 HA GLU 11 -3.812 3.698 -2.874
64 HB2 GLU 11 HB2 GLU 11 -1.295 3.140 -4.503
65 HB3 GLU 11 HB3 GLU 11 -2.786 2.234 -4.502
66 HG2 GLU 11 HG2 GLU 11 -2.641 3.580 -6.491
67 HG3 GLU 11 HG3 GLU 11 -3.982 4.109 -5.481
68 H CYS 12 H CYS 12 -0.328 2.840 -2.734
69 HA CYS 12 HA CYS 12 -0.927 1.077 -0.389
70 HB2 CYS 12 HB2 CYS 12 -0.205 0.272 -3.181
71 HB3 CYS 12 HB3 CYS 12 0.418 -0.666 -1.818
72 HA PRO 13 HA PRO 13 3.714 0.493 -0.530
73 HB2 PRO 13 HB2 PRO 13 5.255 2.237 -2.171
74 HB3 PRO 13 HB3 PRO 13 4.927 0.496 -2.385
75 HG2 PRO 13 HG2 PRO 13 3.615 2.850 -3.680
76 HG3 PRO 13 HG3 PRO 13 3.871 1.197 -4.316
77 HD2 PRO 13 HD2 PRO 13 1.449 2.075 -3.416
78 HD3 PRO 13 HD3 PRO 13 1.989 0.386 -3.279
79 HA PRO 14 HA PRO 14 4.963 4.732 1.161
80 HB2 PRO 14 HB2 PRO 14 3.528 7.006 0.793
81 HB3 PRO 14 HB3 PRO 14 4.678 6.391 -0.439
82 HG2 PRO 14 HG2 PRO 14 1.680 5.944 -0.319
83 HG3 PRO 14 HG3 PRO 14 2.637 6.568 -1.706
84 HD2 PRO 14 HD2 PRO 14 1.959 3.945 -1.508
85 HD3 PRO 14 HD3 PRO 14 3.570 4.443 -2.127
86 H LYS 15 H LYS 15 1.690 3.566 1.274
87 HA LYS 15 HA LYS 15 1.167 4.788 3.939
88 HB2 LYS 15 HB2 LYS 15 -0.544 4.747 2.027
89 HB3 LYS 15 HB3 LYS 15 -0.750 3.029 2.403
90 HG2 LYS 15 HG2 LYS 15 -1.193 3.804 4.836
91 HG3 LYS 15 HG3 LYS 15 -1.167 5.444 4.209
92 HD2 LYS 15 HD2 LYS 15 -3.303 3.348 3.846
93 HD3 LYS 15 HD3 LYS 15 -3.386 4.957 4.505
94 HE2 LYS 15 HE2 LYS 15 -4.366 5.353 2.512
95 HE3 LYS 15 HE3 LYS 15 -2.704 5.759 2.107
96 HZ1 LYS 15 HZ1 LYS 15 -4.123 3.218 1.520
97 HZ2 LYS 15 HZ2 LYS 15 -3.683 4.326 0.408
98 HZ3 LYS 15 HZ3 LYS 15 -2.533 3.450 1.136
99 H CYS 16 H CYS 16 1.887 1.658 2.453
100 HA CYS 16 HA CYS 16 0.952 -0.088 4.381
101 HB2 CYS 16 HB2 CYS 16 3.286 -0.275 2.465
102 HB3 CYS 16 HB3 CYS 16 2.806 -1.632 3.487
103 H ARG 17 H ARG 17 4.019 1.724 4.694
104 HA ARG 17 HA ARG 17 3.971 1.112 7.547
105 HB2 ARG 17 HB2 ARG 17 6.205 0.379 7.771
106 HB3 ARG 17 HB3 ARG 17 5.404 -0.707 6.613
107 HG2 ARG 17 HG2 ARG 17 6.467 0.569 4.741
108 HG3 ARG 17 HG3 ARG 17 7.340 1.548 5.934
109 HD2 ARG 17 HD2 ARG 17 7.605 -1.449 5.600
110 HD3 ARG 17 HD3 ARG 17 8.722 -0.214 4.987
111 HE ARG 17 HE ARG 17 8.242 0.006 7.844
112 HH11 ARG 17 HH21 ARG 17 10.508 -1.392 5.525
113 HH12 ARG 17 HH22 ARG 17 11.471 -2.064 6.841
114 HH21 ARG 17 HH11 ARG 17 9.540 -0.909 9.377
115 HH22 ARG 17 HH12 ARG 17 11.028 -1.700 8.865
116 H ALA 18 H ALA 18 5.635 2.419 8.723
117 HA ALA 18 HA ALA 18 5.066 5.088 8.228
118 HB1 ALA 18 HB1 ALA 18 7.245 3.824 9.932
119 HB2 ALA 18 HB2 ALA 18 6.657 5.494 10.110
120 HB3 ALA 18 HB3 ALA 18 5.573 4.118 10.414
121 H GLN 19 H GLN 19 8.095 3.399 7.372
122 HA GLN 19 HA GLN 19 9.030 5.805 5.879
123 HB2 GLN 19 HB2 GLN 19 11.206 4.807 5.831
124 HB3 GLN 19 HB3 GLN 19 10.579 4.843 7.476
125 HG2 GLN 19 HG2 GLN 19 9.939 2.390 7.194
126 HG3 GLN 19 HG3 GLN 19 10.777 2.413 5.642
127 HE21 GLN 19 HE22 GLN 19 11.256 2.867 9.209
128 HE22 GLN 19 HE21 GLN 19 12.971 2.510 9.126
129 H GLY 20 H GLY 20 6.909 3.689 5.104
130 HA2 GLY 20 HA2 GLY 20 6.017 2.777 3.286
131 HA3 GLY 20 HA3 GLY 20 7.035 3.821 2.313
132 H CYS 21 H CYS 21 6.261 1.655 1.248
133 HA CYS 21 HA CYS 21 8.324 -0.492 1.431
134 HB2 CYS 21 HB2 CYS 21 5.310 -0.503 1.142
135 HB3 CYS 21 HB3 CYS 21 6.244 -1.835 0.509
136 H LYS 22 H LYS 22 8.629 -1.781 -0.462
137 HA LYS 22 HA LYS 22 9.374 -0.299 -2.698
138 HB2 LYS 22 HB2 LYS 22 8.983 -3.316 -2.543
139 HB3 LYS 22 HB3 LYS 22 9.985 -2.442 -3.709
140 HG2 LYS 22 HG2 LYS 22 11.381 -1.603 -1.756
141 HG3 LYS 22 HG3 LYS 22 10.447 -2.685 -0.699
142 HD2 LYS 22 HD2 LYS 22 11.159 -4.613 -2.191
143 HD3 LYS 22 HD3 LYS 22 12.165 -3.476 -3.078
144 HE2 LYS 22 HE2 LYS 22 13.670 -4.495 -1.643
145 HE3 LYS 22 HE3 LYS 22 13.339 -2.953 -0.847
146 HZ1 LYS 22 HZ1 LYS 22 11.893 -4.135 0.702
147 HZ2 LYS 22 HZ2 LYS 22 12.040 -5.534 -0.146
148 HZ3 LYS 22 HZ3 LYS 22 13.337 -4.929 0.651
149 H ASN 23 H ASN 23 6.491 -2.441 -2.531
150 HA ASN 23 HA ASN 23 5.205 -1.022 -4.761
151 HB2 ASN 23 HB2 ASN 23 6.698 -2.829 -5.811
152 HB3 ASN 23 HB3 ASN 23 5.692 -4.015 -4.945
153 HD21 ASN 23 HD22 ASN 23 5.456 -1.364 -7.381
154 HD22 ASN 23 HD21 ASN 23 4.082 -2.124 -8.177
155 H GLY 24 H GLY 24 3.012 -1.694 -5.076
156 HA2 GLY 24 HA2 GLY 24 1.695 -3.730 -3.639
157 HA3 GLY 24 HA3 GLY 24 1.480 -2.254 -2.708
158 H LYS 25 H LYS 25 -0.615 -3.772 -3.823
159 HA LYS 25 HA LYS 25 -1.891 -1.864 -5.736
160 HB2 LYS 25 HB2 LYS 25 -1.341 -4.798 -6.185
161 HB3 LYS 25 HB3 LYS 25 -2.894 -4.148 -6.725
162 HG2 LYS 25 HG2 LYS 25 -1.711 -2.400 -8.034
163 HG3 LYS 25 HG3 LYS 25 -0.156 -3.144 -7.607
164 HD2 LYS 25 HD2 LYS 25 -0.818 -5.243 -8.699
165 HD3 LYS 25 HD3 LYS 25 -2.436 -4.618 -9.017
166 HE2 LYS 25 HE2 LYS 25 0.150 -3.561 -10.247
167 HE3 LYS 25 HE3 LYS 25 -1.031 -4.616 -11.028
168 HZ1 LYS 25 HZ1 LYS 25 -1.432 -1.817 -10.216
169 HZ2 LYS 25 HZ2 LYS 25 -1.503 -2.438 -11.726
170 HZ3 LYS 25 HZ3 LYS 25 -2.696 -2.799 -10.637
171 H CYS 26 H CYS 26 -4.184 -1.830 -5.678
172 HA CYS 26 HA CYS 26 -5.363 -2.602 -3.121
173 HB2 CYS 26 HB2 CYS 26 -6.773 -1.629 -5.614
174 HB3 CYS 26 HB3 CYS 26 -7.395 -1.649 -3.972
175 H MET 27 H MET 27 -6.988 -4.168 -2.743
176 HA MET 27 HA MET 27 -7.376 -6.265 -4.888
177 HB2 MET 27 HB2 MET 27 -7.581 -6.542 -1.861
178 HB3 MET 27 HB3 MET 27 -7.951 -7.797 -3.050
179 HG2 MET 27 HG2 MET 27 -5.579 -7.631 -3.875
180 HG3 MET 27 HG3 MET 27 -5.228 -6.568 -2.507
181 HE1 MET 27 HE1 MET 27 -5.217 -7.341 0.038
182 HE2 MET 27 HE2 MET 27 -6.917 -7.855 -0.078
183 HE3 MET 27 HE3 MET 27 -5.702 -8.962 0.578
184 H ASN 28 H ASN 28 -8.784 -4.118 -2.600
185 HA ASN 28 HA ASN 28 -11.258 -3.786 -3.964
186 HB2 ASN 28 HB2 ASN 28 -12.710 -4.431 -1.986
187 HB3 ASN 28 HB3 ASN 28 -11.982 -5.773 -2.821
188 HD21 ASN 28 HD22 ASN 28 -11.288 -7.359 -1.426
189 HD22 ASN 28 HD21 ASN 28 -10.530 -7.027 0.132
190 H ARG 29 H ARG 29 -12.125 -2.673 -1.096
191 HA ARG 29 HA ARG 29 -10.690 -0.153 -1.183
192 HB2 ARG 29 HB2 ARG 29 -11.691 0.294 1.031
193 HB3 ARG 29 HB3 ARG 29 -12.853 -0.134 -0.204
194 HG2 ARG 29 HG2 ARG 29 -13.148 -2.369 0.735
195 HG3 ARG 29 HG3 ARG 29 -11.762 -2.150 1.822
196 HD2 ARG 29 HD2 ARG 29 -12.901 -0.374 3.021
197 HD3 ARG 29 HD3 ARG 29 -14.277 -0.453 1.913
198 HE ARG 29 HE ARG 29 -15.014 -2.475 2.874
199 HH11 ARG 29 HH11 ARG 29 -12.045 -1.430 4.544
200 HH12 ARG 29 HH12 ARG 29 -12.401 -2.510 5.877
201 HH21 ARG 29 HH21 ARG 29 -15.070 -4.040 4.431
202 HH22 ARG 29 HH22 ARG 29 -13.996 -3.912 5.818
203 H LYS 30 H LYS 30 -9.818 -3.202 0.209
204 HA LYS 30 HA LYS 30 -7.609 -2.038 1.837
205 HB2 LYS 30 HB2 LYS 30 -8.560 -4.903 1.424
206 HB3 LYS 30 HB3 LYS 30 -7.135 -4.440 2.363
207 HG2 LYS 30 HG2 LYS 30 -8.592 -2.989 3.806
208 HG3 LYS 30 HG3 LYS 30 -10.008 -3.630 2.957
209 HD2 LYS 30 HD2 LYS 30 -9.277 -5.964 3.652
210 HD3 LYS 30 HD3 LYS 30 -7.947 -5.218 4.558
211 HE2 LYS 30 HE2 LYS 30 -9.468 -5.359 6.261
212 HE3 LYS 30 HE3 LYS 30 -9.879 -3.763 5.620
213 HZ1 LYS 30 HZ1 LYS 30 -11.279 -6.335 5.061
214 HZ2 LYS 30 HZ2 LYS 30 -11.895 -5.065 5.887
215 HZ3 LYS 30 HZ3 LYS 30 -11.627 -4.974 4.253
216 H CYS 31 H CYS 31 -5.552 -2.592 1.630
217 HA CYS 31 HA CYS 31 -4.540 -2.828 -1.174
218 HB2 CYS 31 HB2 CYS 31 -3.993 -0.790 0.089
219 HB3 CYS 31 HB3 CYS 31 -3.495 -1.790 1.431
220 H LYS 32 H LYS 32 -2.757 -4.119 -1.679
221 HA LYS 32 HA LYS 32 -1.710 -6.051 0.334
222 HB2 LYS 32 HB2 LYS 32 -3.058 -7.298 -1.219
223 HB3 LYS 32 HB3 LYS 32 -2.313 -6.500 -2.611
224 HG2 LYS 32 HG2 LYS 32 -0.171 -7.564 -2.151
225 HG3 LYS 32 HG3 LYS 32 -0.786 -8.285 -0.660
226 HD2 LYS 32 HD2 LYS 32 -2.040 -8.859 -3.380
227 HD3 LYS 32 HD3 LYS 32 -0.641 -9.752 -2.770
228 HE2 LYS 32 HE2 LYS 32 -1.861 -10.483 -0.795
229 HE3 LYS 32 HE3 LYS 32 -3.279 -9.561 -1.268
230 HZ1 LYS 32 HZ1 LYS 32 -3.385 -11.942 -1.865
231 HZ2 LYS 32 HZ2 LYS 32 -3.499 -10.997 -3.229
232 HZ3 LYS 32 HZ3 LYS 32 -2.088 -11.770 -2.844
233 H CYS 33 H CYS 33 0.398 -5.803 0.708
234 HA CYS 33 HA CYS 33 2.109 -4.339 -1.280
235 HB2 CYS 33 HB2 CYS 33 1.892 -4.028 1.685
236 HB3 CYS 33 HB3 CYS 33 3.496 -3.951 0.970
237 H TYR 34 H TYR 34 3.707 -5.431 -2.130
238 HA TYR 34 HA TYR 34 3.869 -8.263 -1.457
239 HB2 TYR 34 HB2 TYR 34 5.058 -6.739 -3.792
240 HB3 TYR 34 HB3 TYR 34 4.929 -8.483 -3.640
241 HD1 TYR 34 HD2 TYR 34 2.660 -9.581 -3.649
242 HD2 TYR 34 HD1 TYR 34 3.207 -5.398 -4.573
243 HE1 TYR 34 HE2 TYR 34 0.459 -9.530 -4.821
244 HE2 TYR 34 HE1 TYR 34 1.030 -5.350 -5.707
245 HH TYR 34 HH TYR 34 -0.809 -6.611 -6.383
246 H TYR 35 H TYR 35 6.561 -6.146 -2.480
247 HA TYR 35 HA TYR 35 8.453 -8.009 -1.269
248 HB2 TYR 35 HB2 TYR 35 8.915 -5.638 -3.093
249 HB3 TYR 35 HB3 TYR 35 10.091 -6.882 -2.667
250 HD1 TYR 35 HD2 TYR 35 9.303 -9.372 -3.057
251 HD2 TYR 35 HD1 TYR 35 7.703 -5.956 -5.144
252 HE1 TYR 35 HE2 TYR 35 8.368 -10.879 -4.808
253 HE2 TYR 35 HE1 TYR 35 6.770 -7.466 -6.890
254 HH TYR 35 HH TYR 35 6.580 -9.645 -7.636
255 H CYS 36 H CYS 36 7.051 -6.536 0.679
256 HA CYS 36 HA CYS 36 9.164 -5.604 2.398
257 HB2 CYS 36 HB2 CYS 36 9.062 -3.630 1.058
258 HB3 CYS 36 HB3 CYS 36 7.303 -3.666 1.003
Start of MODEL 9
1 H1 ALA 1 H1 ALA 1 5.116 -3.733 7.152
2 H2 ALA 1 H2 ALA 1 4.634 -5.294 7.167
3 H3 ALA 1 H3 ALA 1 4.160 -4.285 8.371
4 HA ALA 1 HA ALA 1 2.920 -2.948 6.798
5 HB1 ALA 1 HB1 ALA 1 3.621 -5.181 4.830
6 HB2 ALA 1 HB2 ALA 1 2.597 -3.775 4.508
7 HB3 ALA 1 HB3 ALA 1 4.325 -3.550 4.815
8 H ALA 2 H ALA 2 0.639 -3.656 5.926
9 HA ALA 2 HA ALA 2 -0.352 -6.235 6.832
10 HB1 ALA 2 HB1 ALA 2 -2.031 -5.170 8.348
11 HB2 ALA 2 HB2 ALA 2 -0.377 -4.927 8.937
12 HB3 ALA 2 HB3 ALA 2 -1.233 -3.597 8.114
13 H ALA 3 H ALA 3 -2.895 -6.177 6.352
14 HA ALA 3 HA ALA 3 -3.267 -4.879 3.728
15 HB1 ALA 3 HB1 ALA 3 -5.414 -5.967 3.709
16 HB2 ALA 3 HB2 ALA 3 -4.084 -7.121 4.007
17 HB3 ALA 3 HB3 ALA 3 -5.131 -6.598 5.361
18 H ILE 4 H ILE 4 -3.719 -2.868 3.657
19 HA ILE 4 HA ILE 4 -4.957 -1.347 5.846
20 HB ILE 4 HB ILE 4 -3.894 0.540 4.543
21 HG12 ILE 4 HG12 ILE 4 -2.464 -1.641 2.955
22 HG13 ILE 4 HG13 ILE 4 -3.928 -0.887 2.327
23 HG21 ILE 4 HG21 ILE 4 -1.585 -0.072 5.251
24 HG22 ILE 4 HG22 ILE 4 -2.789 -0.547 6.459
25 HG23 ILE 4 HG23 ILE 4 -2.088 -1.772 5.393
26 HD11 ILE 4 HD11 ILE 4 -1.834 0.035 1.425
27 HD12 ILE 4 HD12 ILE 4 -2.900 1.249 2.154
28 HD13 ILE 4 HD13 ILE 4 -1.452 0.666 3.036
29 H SER 5 H SER 5 -6.248 0.554 5.242
30 HA SER 5 HA SER 5 -8.385 0.018 3.317
31 HB2 SER 5 HB2 SER 5 -7.605 2.564 4.794
32 HB3 SER 5 HB3 SER 5 -9.036 2.358 3.768
33 HG SER 5 HG SER 5 -8.643 1.587 6.361
34 H CYS 6 H CYS 6 -7.939 0.038 1.167
35 HA CYS 6 HA CYS 6 -5.648 1.292 -0.011
36 HB2 CYS 6 HB2 CYS 6 -6.766 -0.562 -1.049
37 HB3 CYS 6 HB3 CYS 6 -8.260 0.373 -1.225
38 H VAL 7 H VAL 7 -9.082 2.518 0.135
39 HA VAL 7 HA VAL 7 -8.501 4.750 -1.543
40 HB VAL 7 HB VAL 7 -10.574 5.704 -0.944
41 HG11 VAL 7 HG11 VAL 7 -10.547 3.688 -2.400
42 HG12 VAL 7 HG12 VAL 7 -10.957 2.696 -0.985
43 HG13 VAL 7 HG13 VAL 7 -12.077 3.948 -1.548
44 HG21 VAL 7 HG21 VAL 7 -10.775 5.614 1.425
45 HG22 VAL 7 HG22 VAL 7 -12.103 4.660 0.766
46 HG23 VAL 7 HG23 VAL 7 -10.688 3.842 1.439
47 H GLY 8 H GLY 8 -8.388 4.449 1.922
48 HA2 GLY 8 HA2 GLY 8 -7.799 6.054 3.618
49 HA3 GLY 8 HA3 GLY 8 -6.327 5.584 2.753
50 H SER 9 H SER 9 -5.102 6.949 1.863
51 HA SER 9 HA SER 9 -6.143 9.536 0.868
52 HB2 SER 9 HB2 SER 9 -5.316 10.282 2.933
53 HB3 SER 9 HB3 SER 9 -3.870 9.280 2.830
54 HG SER 9 HG SER 9 -3.517 11.531 2.234
55 HA PRO 10 HA PRO 10 -2.562 8.050 -1.913
56 HB2 PRO 10 HB2 PRO 10 -0.613 6.416 -1.104
57 HB3 PRO 10 HB3 PRO 10 -0.597 8.129 -0.549
58 HG2 PRO 10 HG2 PRO 10 -1.788 5.714 0.857
59 HG3 PRO 10 HG3 PRO 10 -0.543 6.798 1.520
60 HD2 PRO 10 HD2 PRO 10 -3.184 7.191 2.052
61 HD3 PRO 10 HD3 PRO 10 -2.104 8.589 1.716
62 H GLU 11 H GLU 11 -2.032 5.775 -3.060
63 HA GLU 11 HA GLU 11 -4.169 3.907 -2.734
64 HB2 GLU 11 HB2 GLU 11 -3.066 4.715 -4.860
65 HB3 GLU 11 HB3 GLU 11 -1.613 3.813 -4.398
66 HG2 GLU 11 HG2 GLU 11 -3.001 1.774 -4.236
67 HG3 GLU 11 HG3 GLU 11 -4.383 2.721 -4.829
68 H CYS 12 H CYS 12 -0.644 3.121 -2.759
69 HA CYS 12 HA CYS 12 -1.215 1.021 -0.694
70 HB2 CYS 12 HB2 CYS 12 -0.461 0.678 -3.546
71 HB3 CYS 12 HB3 CYS 12 0.301 -0.393 -2.378
72 HA PRO 13 HA PRO 13 3.362 0.606 -0.533
73 HB2 PRO 13 HB2 PRO 13 5.119 2.337 -1.898
74 HB3 PRO 13 HB3 PRO 13 4.658 0.671 -2.333
75 HG2 PRO 13 HG2 PRO 13 3.586 3.257 -3.405
76 HG3 PRO 13 HG3 PRO 13 3.819 1.694 -4.246
77 HD2 PRO 13 HD2 PRO 13 1.357 2.563 -3.403
78 HD3 PRO 13 HD3 PRO 13 1.820 0.853 -3.472
79 HA PRO 14 HA PRO 14 4.539 4.701 1.556
80 HB2 PRO 14 HB2 PRO 14 3.072 6.965 1.379
81 HB3 PRO 14 HB3 PRO 14 4.219 6.482 0.088
82 HG2 PRO 14 HG2 PRO 14 1.239 5.959 0.213
83 HG3 PRO 14 HG3 PRO 14 2.148 6.724 -1.130
84 HD2 PRO 14 HD2 PRO 14 1.510 4.076 -1.120
85 HD3 PRO 14 HD3 PRO 14 3.080 4.659 -1.776
86 H LYS 15 H LYS 15 1.394 3.378 1.490
87 HA LYS 15 HA LYS 15 0.815 4.024 4.354
88 HB2 LYS 15 HB2 LYS 15 -0.861 4.576 2.590
89 HB3 LYS 15 HB3 LYS 15 -1.037 2.856 2.238
90 HG2 LYS 15 HG2 LYS 15 -1.703 2.581 4.725
91 HG3 LYS 15 HG3 LYS 15 -1.648 4.330 4.828
92 HD2 LYS 15 HD2 LYS 15 -3.735 2.590 3.609
93 HD3 LYS 15 HD3 LYS 15 -3.864 3.986 4.625
94 HE2 LYS 15 HE2 LYS 15 -4.497 5.097 2.837
95 HE3 LYS 15 HE3 LYS 15 -2.813 5.150 2.376
96 HZ1 LYS 15 HZ1 LYS 15 -4.296 4.305 0.569
97 HZ2 LYS 15 HZ2 LYS 15 -3.233 3.163 0.948
98 HZ3 LYS 15 HZ3 LYS 15 -4.785 3.082 1.524
99 H CYS 16 H CYS 16 1.550 1.369 2.142
100 HA CYS 16 HA CYS 16 1.088 -0.885 3.723
101 HB2 CYS 16 HB2 CYS 16 3.237 -0.118 1.746
102 HB3 CYS 16 HB3 CYS 16 3.356 -1.651 2.604
103 H ARG 17 H ARG 17 3.770 1.470 4.094
104 HA ARG 17 HA ARG 17 3.999 0.739 6.885
105 HB2 ARG 17 HB2 ARG 17 6.314 0.231 6.949
106 HB3 ARG 17 HB3 ARG 17 5.561 -0.889 5.801
107 HG2 ARG 17 HG2 ARG 17 6.336 0.668 3.936
108 HG3 ARG 17 HG3 ARG 17 7.240 1.573 5.161
109 HD2 ARG 17 HD2 ARG 17 7.667 -1.281 4.295
110 HD3 ARG 17 HD3 ARG 17 8.739 0.120 4.054
111 HE ARG 17 HE ARG 17 8.218 -0.280 6.858
112 HH11 ARG 17 HH11 ARG 17 10.371 -1.598 4.373
113 HH12 ARG 17 HH12 ARG 17 11.103 -2.671 5.540
114 HH21 ARG 17 HH21 ARG 17 9.292 -1.424 8.207
115 HH22 ARG 17 HH22 ARG 17 10.743 -2.313 7.754
116 H ALA 18 H ALA 18 5.532 2.161 8.019
117 HA ALA 18 HA ALA 18 4.771 4.834 7.633
118 HB1 ALA 18 HB1 ALA 18 6.383 5.229 9.514
119 HB2 ALA 18 HB2 ALA 18 5.328 3.827 9.785
120 HB3 ALA 18 HB3 ALA 18 7.008 3.572 9.279
121 H GLN 19 H GLN 19 7.927 3.361 6.978
122 HA GLN 19 HA GLN 19 9.075 5.752 5.724
123 HB2 GLN 19 HB2 GLN 19 11.076 4.436 5.542
124 HB3 GLN 19 HB3 GLN 19 10.464 4.495 7.189
125 HG2 GLN 19 HG2 GLN 19 9.781 2.147 5.375
126 HG3 GLN 19 HG3 GLN 19 11.342 2.292 6.154
127 HE21 GLN 19 HE22 GLN 19 11.532 1.802 8.418
128 HE22 GLN 19 HE21 GLN 19 10.112 1.362 9.368
129 H GLY 20 H GLY 20 6.853 3.785 4.553
130 HA2 GLY 20 HA2 GLY 20 6.058 3.255 2.539
131 HA3 GLY 20 HA3 GLY 20 7.287 4.254 1.765
132 H CYS 21 H CYS 21 6.002 1.663 1.188
133 HA CYS 21 HA CYS 21 7.926 -0.526 1.534
134 HB2 CYS 21 HB2 CYS 21 5.394 -0.579 1.718
135 HB3 CYS 21 HB3 CYS 21 5.334 -0.310 -0.024
136 H LYS 22 H LYS 22 8.527 -1.881 -0.278
137 HA LYS 22 HA LYS 22 9.877 -0.495 -2.400
138 HB2 LYS 22 HB2 LYS 22 9.249 -3.461 -2.058
139 HB3 LYS 22 HB3 LYS 22 10.398 -2.782 -3.233
140 HG2 LYS 22 HG2 LYS 22 11.710 -1.808 -1.320
141 HG3 LYS 22 HG3 LYS 22 10.553 -2.562 -0.203
142 HD2 LYS 22 HD2 LYS 22 11.158 -4.793 -1.173
143 HD3 LYS 22 HD3 LYS 22 12.419 -4.006 -2.112
144 HE2 LYS 22 HE2 LYS 22 13.392 -4.999 -0.120
145 HE3 LYS 22 HE3 LYS 22 13.505 -3.232 -0.009
146 HZ1 LYS 22 HZ1 LYS 22 11.405 -4.870 1.326
147 HZ2 LYS 22 HZ2 LYS 22 12.758 -4.301 2.076
148 HZ3 LYS 22 HZ3 LYS 22 11.666 -3.239 1.523
149 H ASN 23 H ASN 23 6.949 -2.559 -2.531
150 HA ASN 23 HA ASN 23 5.724 -0.814 -4.489
151 HB2 ASN 23 HB2 ASN 23 7.249 -2.395 -5.845
152 HB3 ASN 23 HB3 ASN 23 6.192 -3.705 -5.324
153 HD21 ASN 23 HD22 ASN 23 6.309 -3.636 -7.899
154 HD22 ASN 23 HD21 ASN 23 4.833 -2.938 -8.557
155 H GLY 24 H GLY 24 3.460 -1.755 -5.077
156 HA2 GLY 24 HA2 GLY 24 2.199 -3.687 -3.391
157 HA3 GLY 24 HA3 GLY 24 1.925 -2.074 -2.708
158 H LYS 25 H LYS 25 0.078 -4.077 -3.896
159 HA LYS 25 HA LYS 25 -1.161 -2.532 -6.135
160 HB2 LYS 25 HB2 LYS 25 -0.038 -4.452 -7.046
161 HB3 LYS 25 HB3 LYS 25 -0.744 -5.520 -5.799
162 HG2 LYS 25 HG2 LYS 25 -2.896 -5.360 -6.711
163 HG3 LYS 25 HG3 LYS 25 -2.459 -4.026 -7.789
164 HD2 LYS 25 HD2 LYS 25 -1.027 -5.560 -9.106
165 HD3 LYS 25 HD3 LYS 25 -1.456 -6.904 -8.010
166 HE2 LYS 25 HE2 LYS 25 -3.853 -6.607 -8.601
167 HE3 LYS 25 HE3 LYS 25 -3.437 -5.277 -9.689
168 HZ1 LYS 25 HZ1 LYS 25 -2.520 -8.087 -10.061
169 HZ2 LYS 25 HZ2 LYS 25 -3.772 -7.407 -10.841
170 HZ3 LYS 25 HZ3 LYS 25 -2.266 -6.845 -11.116
171 H CYS 26 H CYS 26 -3.279 -2.080 -5.992
172 HA CYS 26 HA CYS 26 -4.726 -2.854 -3.535
173 HB2 CYS 26 HB2 CYS 26 -4.464 -0.533 -3.851
174 HB3 CYS 26 HB3 CYS 26 -4.967 -0.610 -5.531
175 H MET 27 H MET 27 -6.747 -3.672 -3.409
176 HA MET 27 HA MET 27 -8.285 -4.355 -5.850
177 HB2 MET 27 HB2 MET 27 -8.796 -6.583 -4.932
178 HB3 MET 27 HB3 MET 27 -7.122 -6.388 -5.435
179 HG2 MET 27 HG2 MET 27 -8.035 -6.269 -2.534
180 HG3 MET 27 HG3 MET 27 -7.491 -7.718 -3.356
181 HE1 MET 27 HE1 MET 27 -5.908 -8.265 -1.489
182 HE2 MET 27 HE2 MET 27 -4.600 -7.232 -0.885
183 HE3 MET 27 HE3 MET 27 -6.297 -6.798 -0.573
184 H ASN 28 H ASN 28 -10.076 -3.255 -5.666
185 HA ASN 28 HA ASN 28 -11.697 -2.024 -5.040
186 HB2 ASN 28 HB2 ASN 28 -12.667 -4.308 -4.922
187 HB3 ASN 28 HB3 ASN 28 -12.482 -4.278 -3.175
188 HD21 ASN 28 HD22 ASN 28 -14.985 -4.656 -3.660
189 HD22 ASN 28 HD21 ASN 28 -15.897 -3.158 -3.518
190 H ARG 29 H ARG 29 -10.984 -3.266 -1.755
191 HA ARG 29 HA ARG 29 -10.685 -0.422 -0.869
192 HB2 ARG 29 HB2 ARG 29 -11.875 -2.711 0.756
193 HB3 ARG 29 HB3 ARG 29 -11.819 -1.018 1.242
194 HG2 ARG 29 HG2 ARG 29 -13.313 -2.108 -1.135
195 HG3 ARG 29 HG3 ARG 29 -13.996 -1.856 0.477
196 HD2 ARG 29 HD2 ARG 29 -14.411 0.327 0.061
197 HD3 ARG 29 HD3 ARG 29 -12.728 0.614 -0.395
198 HE ARG 29 HE ARG 29 -14.017 -0.703 -2.553
199 HH11 ARG 29 HH21 ARG 29 -14.350 2.481 -1.109
200 HH12 ARG 29 HH22 ARG 29 -14.480 3.236 -2.681
201 HH21 ARG 29 HH11 ARG 29 -14.313 0.220 -4.369
202 HH22 ARG 29 HH12 ARG 29 -14.492 1.966 -4.536
203 H LYS 30 H LYS 30 -9.019 -3.265 -1.198
204 HA LYS 30 HA LYS 30 -7.340 -2.795 1.236
205 HB2 LYS 30 HB2 LYS 30 -8.254 -5.442 0.052
206 HB3 LYS 30 HB3 LYS 30 -7.146 -5.255 1.416
207 HG2 LYS 30 HG2 LYS 30 -10.082 -4.336 1.391
208 HG3 LYS 30 HG3 LYS 30 -9.443 -5.808 2.126
209 HD2 LYS 30 HD2 LYS 30 -7.937 -4.337 3.588
210 HD3 LYS 30 HD3 LYS 30 -8.850 -2.951 2.976
211 HE2 LYS 30 HE2 LYS 30 -10.979 -4.159 3.722
212 HE3 LYS 30 HE3 LYS 30 -9.912 -5.331 4.535
213 HZ1 LYS 30 HZ1 LYS 30 -10.163 -2.436 5.143
214 HZ2 LYS 30 HZ2 LYS 30 -10.565 -3.735 6.109
215 HZ3 LYS 30 HZ3 LYS 30 -8.998 -3.359 5.784
216 H CYS 31 H CYS 31 -5.198 -4.034 1.037
217 HA CYS 31 HA CYS 31 -4.063 -3.694 -1.700
218 HB2 CYS 31 HB2 CYS 31 -3.819 -1.537 -0.458
219 HB3 CYS 31 HB3 CYS 31 -2.982 -2.424 0.827
220 H LYS 32 H LYS 32 -2.592 -5.166 -2.248
221 HA LYS 32 HA LYS 32 -1.384 -6.975 -0.258
222 HB2 LYS 32 HB2 LYS 32 -2.596 -7.939 -2.244
223 HB3 LYS 32 HB3 LYS 32 -1.516 -7.037 -3.310
224 HG2 LYS 32 HG2 LYS 32 -0.682 -9.268 -3.214
225 HG3 LYS 32 HG3 LYS 32 0.429 -8.273 -2.275
226 HD2 LYS 32 HD2 LYS 32 -0.968 -9.042 -0.183
227 HD3 LYS 32 HD3 LYS 32 -1.664 -10.250 -1.276
228 HE2 LYS 32 HE2 LYS 32 0.630 -10.998 -1.850
229 HE3 LYS 32 HE3 LYS 32 1.279 -9.732 -0.779
230 HZ1 LYS 32 HZ1 LYS 32 0.215 -10.844 1.096
231 HZ2 LYS 32 HZ2 LYS 32 -0.418 -12.017 0.140
232 HZ3 LYS 32 HZ3 LYS 32 1.208 -11.906 0.347
233 H CYS 33 H CYS 33 0.364 -6.100 0.598
234 HA CYS 33 HA CYS 33 2.135 -4.252 -0.868
235 HB2 CYS 33 HB2 CYS 33 2.414 -5.542 1.857
236 HB3 CYS 33 HB3 CYS 33 3.391 -4.214 1.235
237 H TYR 34 H TYR 34 4.219 -4.854 -1.675
238 HA TYR 34 HA TYR 34 4.192 -7.682 -2.493
239 HB2 TYR 34 HB2 TYR 34 5.578 -5.230 -3.534
240 HB3 TYR 34 HB3 TYR 34 6.080 -6.836 -4.001
241 HD1 TYR 34 HD2 TYR 34 2.383 -6.581 -3.570
242 HD2 TYR 34 HD1 TYR 34 5.713 -6.028 -6.286
243 HE1 TYR 34 HE2 TYR 34 0.906 -6.956 -5.477
244 HE2 TYR 34 HE1 TYR 34 4.162 -6.270 -8.207
245 HH TYR 34 HH TYR 34 1.990 -6.657 -8.875
246 H TYR 35 H TYR 35 7.043 -5.696 -1.624
247 HA TYR 35 HA TYR 35 8.245 -8.157 -0.418
248 HB2 TYR 35 HB2 TYR 35 9.590 -6.209 -2.295
249 HB3 TYR 35 HB3 TYR 35 10.316 -7.645 -1.576
250 HD1 TYR 35 HD1 TYR 35 8.798 -9.911 -2.003
251 HD2 TYR 35 HD2 TYR 35 8.997 -6.426 -4.532
252 HE1 TYR 35 HE1 TYR 35 8.061 -11.276 -3.957
253 HE2 TYR 35 HE2 TYR 35 8.249 -7.784 -6.475
254 HH TYR 35 HH TYR 35 7.689 -9.882 -7.232
255 H CYS 36 H CYS 36 7.077 -6.031 1.195
256 HA CYS 36 HA CYS 36 9.511 -5.214 2.685
257 HB2 CYS 36 HB2 CYS 36 8.634 -3.103 2.987
258 HB3 CYS 36 HB3 CYS 36 8.489 -3.414 1.272
Start of MODEL 10
1 H1 ALA 1 H1 ALA 1 1.328 -8.891 3.461
2 H2 ALA 1 H2 ALA 1 1.988 -8.872 4.947
3 H3 ALA 1 H3 ALA 1 2.127 -7.546 3.983
4 HA ALA 1 HA ALA 1 -0.381 -8.626 5.087
5 HB1 ALA 1 HB1 ALA 1 -0.447 -6.631 6.521
6 HB2 ALA 1 HB2 ALA 1 1.003 -7.599 6.824
7 HB3 ALA 1 HB3 ALA 1 1.121 -6.105 5.873
8 H ALA 2 H ALA 2 -2.219 -6.976 4.921
9 HA ALA 2 HA ALA 2 -2.096 -5.088 2.710
10 HB1 ALA 2 HB1 ALA 2 -2.764 -7.267 1.646
11 HB2 ALA 2 HB2 ALA 2 -4.127 -7.369 2.774
12 HB3 ALA 2 HB3 ALA 2 -4.064 -6.059 1.577
13 H ALA 3 H ALA 3 -2.238 -4.845 5.521
14 HA ALA 3 HA ALA 3 -4.898 -4.782 6.607
15 HB1 ALA 3 HB1 ALA 3 -2.891 -5.596 7.754
16 HB2 ALA 3 HB2 ALA 3 -2.173 -3.968 7.651
17 HB3 ALA 3 HB3 ALA 3 -3.620 -4.239 8.647
18 H ILE 4 H ILE 4 -4.631 -2.741 4.497
19 HA ILE 4 HA ILE 4 -5.407 -0.356 6.057
20 HB ILE 4 HB ILE 4 -3.938 1.057 4.482
21 HG12 ILE 4 HG12 ILE 4 -2.324 -1.539 4.345
22 HG13 ILE 4 HG13 ILE 4 -3.119 -0.691 3.012
23 HG21 ILE 4 HG21 ILE 4 -2.496 -0.397 6.724
24 HG22 ILE 4 HG22 ILE 4 -2.221 1.257 6.127
25 HG23 ILE 4 HG23 ILE 4 -3.717 0.872 6.973
26 HD11 ILE 4 HD11 ILE 4 -0.698 0.139 4.624
27 HD12 ILE 4 HD12 ILE 4 -0.868 -0.022 2.862
28 HD13 ILE 4 HD13 ILE 4 -1.654 1.330 3.733
29 H SER 5 H SER 5 -6.508 1.205 4.951
30 HA SER 5 HA SER 5 -8.330 0.272 3.047
31 HB2 SER 5 HB2 SER 5 -7.617 3.108 3.844
32 HB3 SER 5 HB3 SER 5 -9.057 2.633 2.910
33 HG SER 5 HG SER 5 -9.500 2.762 5.171
34 H CYS 6 H CYS 6 -8.192 -0.093 1.047
35 HA CYS 6 HA CYS 6 -6.278 0.423 -0.934
36 HB2 CYS 6 HB2 CYS 6 -8.191 -1.048 -1.191
37 HB3 CYS 6 HB3 CYS 6 -9.306 0.320 -1.072
38 H VAL 7 H VAL 7 -9.093 2.483 -0.067
39 HA VAL 7 HA VAL 7 -8.207 4.703 -1.725
40 HB VAL 7 HB VAL 7 -10.548 4.338 -1.139
41 HG11 VAL 7 HG11 VAL 7 -10.081 5.572 1.594
42 HG12 VAL 7 HG12 VAL 7 -11.561 4.908 0.895
43 HG13 VAL 7 HG13 VAL 7 -10.260 3.816 1.352
44 HG21 VAL 7 HG21 VAL 7 -9.444 7.032 -0.262
45 HG22 VAL 7 HG22 VAL 7 -9.725 6.507 -1.937
46 HG23 VAL 7 HG23 VAL 7 -11.093 6.699 -0.833
47 H GLY 8 H GLY 8 -8.321 4.481 1.865
48 HA2 GLY 8 HA2 GLY 8 -6.798 5.194 3.481
49 HA3 GLY 8 HA3 GLY 8 -5.550 4.993 2.249
50 H SER 9 H SER 9 -4.302 6.627 2.487
51 HA SER 9 HA SER 9 -5.447 9.371 2.014
52 HB2 SER 9 HB2 SER 9 -4.633 9.417 4.160
53 HB3 SER 9 HB3 SER 9 -3.246 8.407 3.795
54 HG SER 9 HG SER 9 -2.732 10.628 4.086
55 HA PRO 10 HA PRO 10 -2.052 8.917 -1.272
56 HB2 PRO 10 HB2 PRO 10 0.046 7.269 -1.037
57 HB3 PRO 10 HB3 PRO 10 -0.056 8.757 -0.048
58 HG2 PRO 10 HG2 PRO 10 -0.921 5.955 0.795
59 HG3 PRO 10 HG3 PRO 10 0.229 7.046 1.647
60 HD2 PRO 10 HD2 PRO 10 -2.428 6.841 2.232
61 HD3 PRO 10 HD3 PRO 10 -1.522 8.392 2.364
62 H GLU 11 H GLU 11 -1.027 6.792 -2.842
63 HA GLU 11 HA GLU 11 -3.473 5.378 -3.470
64 HB2 GLU 11 HB2 GLU 11 -0.826 5.005 -4.860
65 HB3 GLU 11 HB3 GLU 11 -2.408 4.548 -5.416
66 HG2 GLU 11 HG2 GLU 11 -1.486 7.409 -4.945
67 HG3 GLU 11 HG3 GLU 11 -1.573 6.598 -6.500
68 H CYS 12 H CYS 12 -0.189 3.811 -2.970
69 HA CYS 12 HA CYS 12 -1.518 1.929 -1.170
70 HB2 CYS 12 HB2 CYS 12 -2.096 1.197 -3.566
71 HB3 CYS 12 HB3 CYS 12 -0.463 0.592 -3.658
72 HA PRO 13 HA PRO 13 2.940 0.369 -1.026
73 HB2 PRO 13 HB2 PRO 13 4.972 1.778 -2.330
74 HB3 PRO 13 HB3 PRO 13 4.188 0.276 -2.884
75 HG2 PRO 13 HG2 PRO 13 3.652 3.107 -3.740
76 HG3 PRO 13 HG3 PRO 13 3.643 1.610 -4.715
77 HD2 PRO 13 HD2 PRO 13 1.347 2.814 -3.826
78 HD3 PRO 13 HD3 PRO 13 1.497 1.060 -4.047
79 HA PRO 14 HA PRO 14 4.849 4.305 0.840
80 HB2 PRO 14 HB2 PRO 14 3.475 6.649 1.033
81 HB3 PRO 14 HB3 PRO 14 4.426 6.190 -0.415
82 HG2 PRO 14 HG2 PRO 14 1.450 5.801 0.039
83 HG3 PRO 14 HG3 PRO 14 2.256 6.581 -1.367
84 HD2 PRO 14 HD2 PRO 14 1.427 4.035 -1.413
85 HD3 PRO 14 HD3 PRO 14 3.012 4.487 -2.148
86 H LYS 15 H LYS 15 1.373 3.913 1.309
87 HA LYS 15 HA LYS 15 1.315 4.578 4.135
88 HB2 LYS 15 HB2 LYS 15 -1.019 3.639 3.997
89 HB3 LYS 15 HB3 LYS 15 -0.673 4.984 2.926
90 HG2 LYS 15 HG2 LYS 15 -0.492 3.541 0.991
91 HG3 LYS 15 HG3 LYS 15 -0.495 2.112 2.004
92 HD2 LYS 15 HD2 LYS 15 -2.627 2.045 1.188
93 HD3 LYS 15 HD3 LYS 15 -2.928 2.894 2.696
94 HE2 LYS 15 HE2 LYS 15 -3.286 4.942 1.681
95 HE3 LYS 15 HE3 LYS 15 -2.237 4.576 0.307
96 HZ1 LYS 15 HZ1 LYS 15 -4.860 3.266 0.624
97 HZ2 LYS 15 HZ2 LYS 15 -4.594 4.655 -0.252
98 HZ3 LYS 15 HZ3 LYS 15 -3.844 3.300 -0.701
99 H CYS 16 H CYS 16 2.285 1.703 2.531
100 HA CYS 16 HA CYS 16 1.567 -0.339 4.308
101 HB2 CYS 16 HB2 CYS 16 4.053 0.170 2.644
102 HB3 CYS 16 HB3 CYS 16 3.768 -1.357 3.477
103 H ARG 17 H ARG 17 4.197 2.034 4.717
104 HA ARG 17 HA ARG 17 4.796 1.158 7.442
105 HB2 ARG 17 HB2 ARG 17 7.146 0.600 6.881
106 HB3 ARG 17 HB3 ARG 17 5.962 -0.516 6.203
107 HG2 ARG 17 HG2 ARG 17 6.238 0.317 3.995
108 HG3 ARG 17 HG3 ARG 17 7.263 1.640 4.566
109 HD2 ARG 17 HD2 ARG 17 8.384 -0.383 3.479
110 HD3 ARG 17 HD3 ARG 17 9.105 0.243 4.928
111 HE ARG 17 HE ARG 17 7.614 -2.330 4.658
112 HH11 ARG 17 HH11 ARG 17 9.240 -0.183 6.942
113 HH12 ARG 17 HH12 ARG 17 9.597 -1.524 8.014
114 HH21 ARG 17 HH21 ARG 17 8.121 -3.905 6.040
115 HH22 ARG 17 HH22 ARG 17 8.827 -3.529 7.615
116 H ALA 18 H ALA 18 6.935 2.328 8.136
117 HA ALA 18 HA ALA 18 6.194 5.106 8.212
118 HB1 ALA 18 HB1 ALA 18 7.165 3.905 10.104
119 HB2 ALA 18 HB2 ALA 18 8.666 3.617 9.195
120 HB3 ALA 18 HB3 ALA 18 8.206 5.272 9.668
121 H GLN 19 H GLN 19 8.545 3.415 6.278
122 HA GLN 19 HA GLN 19 9.630 5.948 5.121
123 HB2 GLN 19 HB2 GLN 19 11.657 4.734 4.689
124 HB3 GLN 19 HB3 GLN 19 11.262 4.816 6.400
125 HG2 GLN 19 HG2 GLN 19 10.643 2.388 4.668
126 HG3 GLN 19 HG3 GLN 19 12.157 2.644 5.511
127 HE21 GLN 19 HE22 GLN 19 12.077 2.695 8.022
128 HE22 GLN 19 HE21 GLN 19 10.715 1.898 8.777
129 H GLY 20 H GLY 20 7.405 3.838 4.383
130 HA2 GLY 20 HA2 GLY 20 6.223 3.309 2.501
131 HA3 GLY 20 HA3 GLY 20 7.353 4.228 1.526
132 H CYS 21 H CYS 21 6.168 1.957 0.619
133 HA CYS 21 HA CYS 21 8.079 -0.302 0.816
134 HB2 CYS 21 HB2 CYS 21 5.541 -0.413 1.223
135 HB3 CYS 21 HB3 CYS 21 5.366 -0.212 -0.514
136 H LYS 22 H LYS 22 8.622 -1.540 -0.996
137 HA LYS 22 HA LYS 22 9.482 -0.322 -3.450
138 HB2 LYS 22 HB2 LYS 22 8.996 -3.189 -2.550
139 HB3 LYS 22 HB3 LYS 22 9.632 -2.804 -4.161
140 HG2 LYS 22 HG2 LYS 22 11.614 -1.786 -3.251
141 HG3 LYS 22 HG3 LYS 22 10.950 -1.826 -1.616
142 HD2 LYS 22 HD2 LYS 22 10.869 -4.356 -1.776
143 HD3 LYS 22 HD3 LYS 22 11.739 -4.215 -3.322
144 HE2 LYS 22 HE2 LYS 22 13.560 -4.459 -1.952
145 HE3 LYS 22 HE3 LYS 22 13.371 -2.717 -1.804
146 HZ1 LYS 22 HZ1 LYS 22 11.910 -3.313 0.213
147 HZ2 LYS 22 HZ2 LYS 22 12.527 -4.838 0.074
148 HZ3 LYS 22 HZ3 LYS 22 13.541 -3.562 0.351
149 H ASN 23 H ASN 23 6.641 -2.454 -2.848
150 HA ASN 23 HA ASN 23 5.158 -1.138 -4.990
151 HB2 ASN 23 HB2 ASN 23 6.559 -2.985 -6.108
152 HB3 ASN 23 HB3 ASN 23 5.580 -4.142 -5.196
153 HD21 ASN 23 HD22 ASN 23 5.315 -4.754 -7.685
154 HD22 ASN 23 HD21 ASN 23 3.839 -4.065 -8.353
155 H GLY 24 H GLY 24 2.976 -1.874 -5.068
156 HA2 GLY 24 HA2 GLY 24 1.736 -3.522 -3.130
157 HA3 GLY 24 HA3 GLY 24 1.606 -1.833 -2.589
158 H LYS 25 H LYS 25 -0.529 -3.741 -3.455
159 HA LYS 25 HA LYS 25 -1.845 -2.057 -5.488
160 HB2 LYS 25 HB2 LYS 25 -2.378 -3.785 -6.919
161 HB3 LYS 25 HB3 LYS 25 -0.670 -4.018 -6.633
162 HG2 LYS 25 HG2 LYS 25 -1.145 -5.873 -5.091
163 HG3 LYS 25 HG3 LYS 25 -2.884 -5.605 -5.218
164 HD2 LYS 25 HD2 LYS 25 -1.124 -6.398 -7.565
165 HD3 LYS 25 HD3 LYS 25 -2.092 -7.502 -6.572
166 HE2 LYS 25 HE2 LYS 25 -4.140 -6.131 -7.195
167 HE3 LYS 25 HE3 LYS 25 -3.127 -5.271 -8.371
168 HZ1 LYS 25 HZ1 LYS 25 -3.554 -8.207 -8.323
169 HZ2 LYS 25 HZ2 LYS 25 -4.295 -7.165 -9.354
170 HZ3 LYS 25 HZ3 LYS 25 -2.669 -7.394 -9.446
171 H CYS 26 H CYS 26 -4.177 -2.518 -5.700
172 HA CYS 26 HA CYS 26 -5.368 -3.400 -3.106
173 HB2 CYS 26 HB2 CYS 26 -5.721 -1.110 -3.354
174 HB3 CYS 26 HB3 CYS 26 -6.050 -1.234 -5.076
175 H MET 27 H MET 27 -7.039 -4.809 -3.038
176 HA MET 27 HA MET 27 -7.817 -6.201 -5.554
177 HB2 MET 27 HB2 MET 27 -8.256 -6.974 -2.657
178 HB3 MET 27 HB3 MET 27 -8.868 -7.856 -4.048
179 HG2 MET 27 HG2 MET 27 -6.913 -8.977 -3.367
180 HG3 MET 27 HG3 MET 27 -6.536 -8.153 -4.872
181 HE1 MET 27 HE1 MET 27 -4.910 -6.986 -0.669
182 HE2 MET 27 HE2 MET 27 -6.594 -6.673 -1.115
183 HE3 MET 27 HE3 MET 27 -6.006 -8.343 -0.998
184 H ASN 28 H ASN 28 -9.501 -4.778 -2.700
185 HA ASN 28 HA ASN 28 -11.284 -3.311 -4.509
186 HB2 ASN 28 HB2 ASN 28 -12.449 -5.526 -4.109
187 HB3 ASN 28 HB3 ASN 28 -12.474 -5.161 -2.384
188 HD21 ASN 28 HD22 ASN 28 -13.699 -4.142 -5.576
189 HD22 ASN 28 HD21 ASN 28 -15.071 -3.257 -4.896
190 H ARG 29 H ARG 29 -10.603 -4.059 -1.086
191 HA ARG 29 HA ARG 29 -10.726 -1.155 -0.356
192 HB2 ARG 29 HB2 ARG 29 -11.684 -3.508 1.322
193 HB3 ARG 29 HB3 ARG 29 -11.719 -1.812 1.796
194 HG2 ARG 29 HG2 ARG 29 -13.238 -3.038 -0.491
195 HG3 ARG 29 HG3 ARG 29 -13.885 -2.698 1.099
196 HD2 ARG 29 HD2 ARG 29 -13.394 -0.242 0.769
197 HD3 ARG 29 HD3 ARG 29 -12.782 -0.576 -0.829
198 HE ARG 29 HE ARG 29 -14.943 -0.895 -1.667
199 HH11 ARG 29 HH11 ARG 29 -15.215 -0.413 1.812
200 HH12 ARG 29 HH12 ARG 29 -16.874 0.131 1.668
201 HH21 ARG 29 HH21 ARG 29 -16.911 -0.158 -1.771
202 HH22 ARG 29 HH22 ARG 29 -17.717 0.542 -0.377
203 H LYS 30 H LYS 30 -8.845 -3.967 -0.315
204 HA LYS 30 HA LYS 30 -7.251 -3.073 2.062
205 HB2 LYS 30 HB2 LYS 30 -7.686 -5.849 0.897
206 HB3 LYS 30 HB3 LYS 30 -6.744 -5.487 2.329
207 HG2 LYS 30 HG2 LYS 30 -9.756 -4.873 2.063
208 HG3 LYS 30 HG3 LYS 30 -9.106 -6.347 2.748
209 HD2 LYS 30 HD2 LYS 30 -8.377 -3.608 3.881
210 HD3 LYS 30 HD3 LYS 30 -9.793 -4.523 4.378
211 HE2 LYS 30 HE2 LYS 30 -8.290 -6.479 4.922
212 HE3 LYS 30 HE3 LYS 30 -6.893 -5.428 4.632
213 HZ1 LYS 30 HZ1 LYS 30 -9.043 -4.847 6.613
214 HZ2 LYS 30 HZ2 LYS 30 -7.609 -5.501 7.030
215 HZ3 LYS 30 HZ3 LYS 30 -7.711 -3.973 6.422
216 H CYS 31 H CYS 31 -5.069 -2.787 1.882
217 HA CYS 31 HA CYS 31 -4.121 -2.720 -0.970
218 HB2 CYS 31 HB2 CYS 31 -4.558 -0.597 0.785
219 HB3 CYS 31 HB3 CYS 31 -2.808 -0.808 0.792
220 H LYS 32 H LYS 32 -2.861 -4.407 -1.285
221 HA LYS 32 HA LYS 32 -1.360 -5.721 0.745
222 HB2 LYS 32 HB2 LYS 32 -2.513 -6.697 -1.273
223 HB3 LYS 32 HB3 LYS 32 -1.233 -6.010 -2.289
224 HG2 LYS 32 HG2 LYS 32 0.456 -7.365 -1.154
225 HG3 LYS 32 HG3 LYS 32 -0.729 -7.861 0.077
226 HD2 LYS 32 HD2 LYS 32 -2.086 -8.947 -1.775
227 HD3 LYS 32 HD3 LYS 32 -0.714 -8.629 -2.882
228 HE2 LYS 32 HE2 LYS 32 0.790 -9.871 -1.410
229 HE3 LYS 32 HE3 LYS 32 -0.489 -10.007 -0.189
230 HZ1 LYS 32 HZ1 LYS 32 -0.266 -12.063 -1.499
231 HZ2 LYS 32 HZ2 LYS 32 -1.757 -11.398 -1.739
232 HZ3 LYS 32 HZ3 LYS 32 -0.615 -11.235 -2.886
233 H CYS 33 H CYS 33 0.651 -5.696 1.283
234 HA CYS 33 HA CYS 33 2.616 -3.860 -0.025
235 HB2 CYS 33 HB2 CYS 33 2.354 -4.867 2.830
236 HB3 CYS 33 HB3 CYS 33 3.576 -3.730 2.257
237 H TYR 34 H TYR 34 4.066 -4.989 -1.203
238 HA TYR 34 HA TYR 34 4.050 -7.895 -0.995
239 HB2 TYR 34 HB2 TYR 34 5.174 -5.886 -2.956
240 HB3 TYR 34 HB3 TYR 34 5.538 -7.591 -3.061
241 HD1 TYR 34 HD2 TYR 34 3.706 -9.312 -3.217
242 HD2 TYR 34 HD1 TYR 34 3.155 -5.110 -4.017
243 HE1 TYR 34 HE2 TYR 34 1.841 -9.855 -4.761
244 HE2 TYR 34 HE1 TYR 34 1.256 -5.657 -5.553
245 HH TYR 34 HH TYR 34 0.407 -9.043 -6.345
246 H TYR 35 H TYR 35 6.821 -5.614 -1.074
247 HA TYR 35 HA TYR 35 8.596 -7.847 -0.159
248 HB2 TYR 35 HB2 TYR 35 9.236 -5.763 -2.240
249 HB3 TYR 35 HB3 TYR 35 10.166 -7.211 -1.859
250 HD1 TYR 35 HD2 TYR 35 8.310 -9.411 -1.904
251 HD2 TYR 35 HD1 TYR 35 8.366 -5.889 -4.406
252 HE1 TYR 35 HE2 TYR 35 6.968 -10.593 -3.620
253 HE2 TYR 35 HE1 TYR 35 7.057 -7.113 -6.140
254 HH TYR 35 HH TYR 35 6.082 -10.540 -5.650
255 H CYS 36 H CYS 36 7.556 -5.641 1.556
256 HA CYS 36 HA CYS 36 10.134 -4.386 2.359
257 HB2 CYS 36 HB2 CYS 36 8.929 -2.306 2.453
258 HB3 CYS 36 HB3 CYS 36 8.827 -2.992 0.845
Start of MODEL 11
1 H1 ALA 1 H1 ALA 1 4.339 -7.010 4.925
2 H2 ALA 1 H2 ALA 1 4.242 -6.138 3.526
3 H3 ALA 1 H3 ALA 1 3.190 -7.378 3.814
4 HA ALA 1 HA ALA 1 2.409 -6.162 5.818
5 HB1 ALA 1 HB1 ALA 1 3.882 -3.885 4.419
6 HB2 ALA 1 HB2 ALA 1 2.804 -3.725 5.828
7 HB3 ALA 1 HB3 ALA 1 4.323 -4.632 5.973
8 H ALA 2 H ALA 2 0.338 -5.164 5.634
9 HA ALA 2 HA ALA 2 -0.798 -4.537 3.033
10 HB1 ALA 2 HB1 ALA 2 -2.134 -6.619 2.904
11 HB2 ALA 2 HB2 ALA 2 -0.426 -7.032 2.947
12 HB3 ALA 2 HB3 ALA 2 -1.394 -7.195 4.420
13 H ALA 3 H ALA 3 -3.427 -5.582 3.879
14 HA ALA 3 HA ALA 3 -5.262 -5.185 5.056
15 HB1 ALA 3 HB1 ALA 3 -3.795 -6.051 6.910
16 HB2 ALA 3 HB2 ALA 3 -3.458 -4.344 7.335
17 HB3 ALA 3 HB3 ALA 3 -5.110 -4.979 7.459
18 H ILE 4 H ILE 4 -3.564 -2.637 4.031
19 HA ILE 4 HA ILE 4 -4.635 -0.560 5.759
20 HB ILE 4 HB ILE 4 -3.473 0.990 4.272
21 HG12 ILE 4 HG12 ILE 4 -2.471 -1.438 2.716
22 HG13 ILE 4 HG13 ILE 4 -3.768 -0.383 2.141
23 HG21 ILE 4 HG21 ILE 4 -1.261 0.469 4.979
24 HG22 ILE 4 HG22 ILE 4 -2.342 -0.213 6.194
25 HG23 ILE 4 HG23 ILE 4 -1.593 -1.276 4.980
26 HD11 ILE 4 HD11 ILE 4 -2.311 1.536 2.078
27 HD12 ILE 4 HD12 ILE 4 -0.969 0.551 2.756
28 HD13 ILE 4 HD13 ILE 4 -1.617 0.181 1.152
29 H SER 5 H SER 5 -5.841 1.190 5.084
30 HA SER 5 HA SER 5 -8.080 0.700 3.368
31 HB2 SER 5 HB2 SER 5 -6.928 3.369 4.265
32 HB3 SER 5 HB3 SER 5 -8.529 3.094 3.527
33 HG SER 5 HG SER 5 -8.707 3.171 5.749
34 H CYS 6 H CYS 6 -7.753 0.196 1.309
35 HA CYS 6 HA CYS 6 -5.791 1.257 -0.489
36 HB2 CYS 6 HB2 CYS 6 -6.952 -0.823 -0.873
37 HB3 CYS 6 HB3 CYS 6 -8.514 0.008 -0.939
38 H VAL 7 H VAL 7 -9.074 2.555 0.326
39 HA VAL 7 HA VAL 7 -8.892 4.639 -1.718
40 HB VAL 7 HB VAL 7 -10.687 5.763 -0.653
41 HG11 VAL 7 HG11 VAL 7 -11.230 2.777 -0.495
42 HG12 VAL 7 HG12 VAL 7 -12.391 4.092 -0.782
43 HG13 VAL 7 HG13 VAL 7 -11.158 3.733 -1.994
44 HG21 VAL 7 HG21 VAL 7 -10.380 3.918 1.747
45 HG22 VAL 7 HG22 VAL 7 -10.313 5.695 1.714
46 HG23 VAL 7 HG23 VAL 7 -11.829 4.870 1.398
47 H GLY 8 H GLY 8 -8.092 4.441 1.675
48 HA2 GLY 8 HA2 GLY 8 -7.016 5.892 3.132
49 HA3 GLY 8 HA3 GLY 8 -5.775 5.554 1.925
50 H SER 9 H SER 9 -4.718 7.076 1.170
51 HA SER 9 HA SER 9 -5.981 9.514 0.201
52 HB2 SER 9 HB2 SER 9 -5.582 10.211 2.474
53 HB3 SER 9 HB3 SER 9 -3.911 9.684 2.400
54 HG SER 9 HG SER 9 -3.937 11.833 2.028
55 HA PRO 10 HA PRO 10 -1.892 8.513 -1.971
56 HB2 PRO 10 HB2 PRO 10 0.040 6.989 -0.915
57 HB3 PRO 10 HB3 PRO 10 -0.053 8.742 -0.495
58 HG2 PRO 10 HG2 PRO 10 -1.130 6.379 1.047
59 HG3 PRO 10 HG3 PRO 10 -0.110 7.689 1.701
60 HD2 PRO 10 HD2 PRO 10 -2.862 7.672 1.904
61 HD3 PRO 10 HD3 PRO 10 -1.934 9.197 1.693
62 H GLU 11 H GLU 11 -1.397 6.388 -3.113
63 HA GLU 11 HA GLU 11 -3.696 4.675 -2.984
64 HB2 GLU 11 HB2 GLU 11 -1.125 4.266 -4.570
65 HB3 GLU 11 HB3 GLU 11 -2.635 3.403 -4.769
66 HG2 GLU 11 HG2 GLU 11 -2.473 5.050 -6.502
67 HG3 GLU 11 HG3 GLU 11 -3.788 5.479 -5.410
68 H CYS 12 H CYS 12 -0.295 3.439 -2.736
69 HA CYS 12 HA CYS 12 -1.140 1.829 -0.403
70 HB2 CYS 12 HB2 CYS 12 -0.458 0.537 -3.050
71 HB3 CYS 12 HB3 CYS 12 -0.421 -0.279 -1.499
72 HA PRO 13 HA PRO 13 3.454 0.606 -0.930
73 HB2 PRO 13 HB2 PRO 13 4.769 2.814 -2.409
74 HB3 PRO 13 HB3 PRO 13 4.979 1.054 -2.547
75 HG2 PRO 13 HG2 PRO 13 3.543 2.664 -4.342
76 HG3 PRO 13 HG3 PRO 13 3.382 0.890 -4.168
77 HD2 PRO 13 HD2 PRO 13 1.524 3.012 -3.340
78 HD3 PRO 13 HD3 PRO 13 1.270 1.274 -3.567
79 HA PRO 14 HA PRO 14 5.169 4.442 1.255
80 HB2 PRO 14 HB2 PRO 14 3.913 6.853 1.328
81 HB3 PRO 14 HB3 PRO 14 4.960 6.346 -0.035
82 HG2 PRO 14 HG2 PRO 14 1.940 6.157 0.160
83 HG3 PRO 14 HG3 PRO 14 2.917 6.849 -1.177
84 HD2 PRO 14 HD2 PRO 14 1.952 4.317 -1.267
85 HD3 PRO 14 HD3 PRO 14 3.565 4.721 -1.934
86 H LYS 15 H LYS 15 1.768 3.709 1.391
87 HA LYS 15 HA LYS 15 1.393 4.610 4.171
88 HB2 LYS 15 HB2 LYS 15 -0.324 4.791 2.286
89 HB3 LYS 15 HB3 LYS 15 -0.552 3.047 2.438
90 HG2 LYS 15 HG2 LYS 15 -1.054 3.545 4.953
91 HG3 LYS 15 HG3 LYS 15 -1.083 5.241 4.474
92 HD2 LYS 15 HD2 LYS 15 -2.977 3.023 3.615
93 HD3 LYS 15 HD3 LYS 15 -3.320 4.410 4.619
94 HE2 LYS 15 HE2 LYS 15 -4.043 5.474 2.829
95 HE3 LYS 15 HE3 LYS 15 -2.377 5.605 2.310
96 HZ1 LYS 15 HZ1 LYS 15 -4.306 3.472 1.499
97 HZ2 LYS 15 HZ2 LYS 15 -3.655 4.617 0.520
98 HZ3 LYS 15 HZ3 LYS 15 -2.716 3.457 1.065
99 H CYS 16 H CYS 16 2.133 1.573 2.519
100 HA CYS 16 HA CYS 16 1.211 -0.322 4.346
101 HB2 CYS 16 HB2 CYS 16 3.672 -0.249 2.586
102 HB3 CYS 16 HB3 CYS 16 3.249 -1.676 3.524
103 H ARG 17 H ARG 17 3.972 1.815 4.882
104 HA ARG 17 HA ARG 17 3.984 1.149 7.681
105 HB2 ARG 17 HB2 ARG 17 6.261 0.549 7.954
106 HB3 ARG 17 HB3 ARG 17 5.443 -0.571 6.845
107 HG2 ARG 17 HG2 ARG 17 6.535 0.515 4.916
108 HG3 ARG 17 HG3 ARG 17 7.337 1.646 6.014
109 HD2 ARG 17 HD2 ARG 17 8.817 -0.116 5.285
110 HD3 ARG 17 HD3 ARG 17 8.625 -0.122 7.043
111 HE ARG 17 HE ARG 17 7.634 -2.143 5.112
112 HH11 ARG 17 HH11 ARG 17 7.686 -1.336 8.587
113 HH12 ARG 17 HH12 ARG 17 6.668 -2.707 8.907
114 HH21 ARG 17 HH21 ARG 17 6.860 -4.106 5.797
115 HH22 ARG 17 HH22 ARG 17 6.187 -4.130 7.427
116 H ALA 18 H ALA 18 5.746 2.598 8.823
117 HA ALA 18 HA ALA 18 5.194 5.291 8.321
118 HB1 ALA 18 HB1 ALA 18 6.902 5.735 9.994
119 HB2 ALA 18 HB2 ALA 18 5.981 4.286 10.454
120 HB3 ALA 18 HB3 ALA 18 7.598 4.114 9.771
121 H GLN 19 H GLN 19 8.363 3.707 7.601
122 HA GLN 19 HA GLN 19 9.218 5.983 5.993
123 HB2 GLN 19 HB2 GLN 19 11.270 4.879 5.690
124 HB3 GLN 19 HB3 GLN 19 10.768 4.591 7.348
125 HG2 GLN 19 HG2 GLN 19 9.998 2.280 6.623
126 HG3 GLN 19 HG3 GLN 19 10.621 2.618 5.023
127 HE21 GLN 19 HE22 GLN 19 11.749 2.580 8.499
128 HE22 GLN 19 HE21 GLN 19 13.366 2.071 8.064
129 H GLY 20 H GLY 20 7.165 3.483 5.329
130 HA2 GLY 20 HA2 GLY 20 6.027 2.810 3.524
131 HA3 GLY 20 HA3 GLY 20 6.900 3.975 2.505
132 H CYS 21 H CYS 21 6.163 1.796 1.393
133 HA CYS 21 HA CYS 21 8.357 -0.216 1.381
134 HB2 CYS 21 HB2 CYS 21 5.333 -0.355 1.174
135 HB3 CYS 21 HB3 CYS 21 6.305 -1.645 0.531
136 H LYS 22 H LYS 22 8.531 -1.536 -0.505
137 HA LYS 22 HA LYS 22 9.313 -0.105 -2.756
138 HB2 LYS 22 HB2 LYS 22 8.710 -3.092 -2.618
139 HB3 LYS 22 HB3 LYS 22 9.739 -2.268 -3.801
140 HG2 LYS 22 HG2 LYS 22 11.218 -1.552 -1.845
141 HG3 LYS 22 HG3 LYS 22 10.231 -2.607 -0.820
142 HD2 LYS 22 HD2 LYS 22 10.832 -4.551 -2.292
143 HD3 LYS 22 HD3 LYS 22 11.834 -3.472 -3.259
144 HE2 LYS 22 HE2 LYS 22 13.303 -4.638 -1.806
145 HE3 LYS 22 HE3 LYS 22 13.202 -2.985 -1.207
146 HZ1 LYS 22 HZ1 LYS 22 11.690 -3.733 0.503
147 HZ2 LYS 22 HZ2 LYS 22 11.689 -5.275 -0.052
148 HZ3 LYS 22 HZ3 LYS 22 13.068 -4.592 0.584
149 H ASN 23 H ASN 23 6.628 -2.493 -2.931
150 HA ASN 23 HA ASN 23 4.964 -0.724 -4.528
151 HB2 ASN 23 HB2 ASN 23 6.705 -1.862 -6.135
152 HB3 ASN 23 HB3 ASN 23 5.807 -3.339 -5.842
153 HD21 ASN 23 HD22 ASN 23 5.554 -3.088 -8.312
154 HD22 ASN 23 HD21 ASN 23 4.218 -2.072 -8.839
155 H GLY 24 H GLY 24 2.880 -1.968 -5.213
156 HA2 GLY 24 HA2 GLY 24 2.157 -4.352 -3.698
157 HA3 GLY 24 HA3 GLY 24 1.458 -2.876 -3.035
158 H LYS 25 H LYS 25 -0.407 -4.305 -3.467
159 HA LYS 25 HA LYS 25 -1.793 -3.635 -6.010
160 HB2 LYS 25 HB2 LYS 25 -0.596 -5.736 -6.359
161 HB3 LYS 25 HB3 LYS 25 -1.287 -6.434 -4.903
162 HG2 LYS 25 HG2 LYS 25 -2.478 -7.407 -6.671
163 HG3 LYS 25 HG3 LYS 25 -3.588 -6.193 -6.037
164 HD2 LYS 25 HD2 LYS 25 -2.843 -4.635 -7.892
165 HD3 LYS 25 HD3 LYS 25 -1.755 -5.903 -8.456
166 HE2 LYS 25 HE2 LYS 25 -3.695 -6.032 -9.844
167 HE3 LYS 25 HE3 LYS 25 -3.752 -7.425 -8.766
168 HZ1 LYS 25 HZ1 LYS 25 -5.364 -6.105 -7.373
169 HZ2 LYS 25 HZ2 LYS 25 -5.298 -4.903 -8.437
170 HZ3 LYS 25 HZ3 LYS 25 -5.930 -6.353 -8.899
171 H CYS 26 H CYS 26 -3.771 -2.971 -5.578
172 HA CYS 26 HA CYS 26 -5.204 -3.671 -3.081
173 HB2 CYS 26 HB2 CYS 26 -5.060 -1.341 -3.694
174 HB3 CYS 26 HB3 CYS 26 -5.699 -1.669 -5.298
175 H MET 27 H MET 27 -7.388 -4.435 -3.130
176 HA MET 27 HA MET 27 -8.315 -5.703 -5.689
177 HB2 MET 27 HB2 MET 27 -8.334 -7.037 -2.965
178 HB3 MET 27 HB3 MET 27 -9.067 -7.691 -4.426
179 HG2 MET 27 HG2 MET 27 -6.097 -7.174 -4.011
180 HG3 MET 27 HG3 MET 27 -6.884 -8.728 -3.862
181 HE1 MET 27 HE1 MET 27 -7.676 -9.812 -7.483
182 HE2 MET 27 HE2 MET 27 -7.559 -10.296 -5.777
183 HE3 MET 27 HE3 MET 27 -8.786 -9.113 -6.288
184 H ASN 28 H ASN 28 -9.266 -4.287 -2.537
185 HA ASN 28 HA ASN 28 -11.797 -3.414 -3.708
186 HB2 ASN 28 HB2 ASN 28 -13.161 -4.373 -1.894
187 HB3 ASN 28 HB3 ASN 28 -12.433 -5.602 -2.898
188 HD21 ASN 28 HD22 ASN 28 -13.394 -6.514 -0.655
189 HD22 ASN 28 HD21 ASN 28 -12.127 -6.839 0.534
190 H ARG 29 H ARG 29 -11.816 -3.393 -0.322
191 HA ARG 29 HA ARG 29 -10.965 -0.581 0.004
192 HB2 ARG 29 HB2 ARG 29 -11.560 -2.735 2.080
193 HB3 ARG 29 HB3 ARG 29 -11.431 -1.012 2.397
194 HG2 ARG 29 HG2 ARG 29 -13.527 -2.176 0.594
195 HG3 ARG 29 HG3 ARG 29 -13.666 -2.110 2.359
196 HD2 ARG 29 HD2 ARG 29 -14.849 -0.213 1.723
197 HD3 ARG 29 HD3 ARG 29 -13.265 0.428 2.172
198 HE ARG 29 HE ARG 29 -13.476 -0.199 -0.677
199 HH11 ARG 29 HH11 ARG 29 -14.545 2.275 1.631
200 HH12 ARG 29 HH12 ARG 29 -14.909 3.390 0.359
201 HH21 ARG 29 HH21 ARG 29 -13.443 1.461 -2.103
202 HH22 ARG 29 HH22 ARG 29 -14.244 2.955 -1.734
203 H LYS 30 H LYS 30 -9.497 -3.725 0.032
204 HA LYS 30 HA LYS 30 -7.326 -2.862 1.866
205 HB2 LYS 30 HB2 LYS 30 -8.318 -5.626 1.076
206 HB3 LYS 30 HB3 LYS 30 -6.987 -5.293 2.177
207 HG2 LYS 30 HG2 LYS 30 -9.908 -4.483 2.647
208 HG3 LYS 30 HG3 LYS 30 -9.048 -5.823 3.409
209 HD2 LYS 30 HD2 LYS 30 -7.333 -4.046 4.207
210 HD3 LYS 30 HD3 LYS 30 -8.559 -2.854 3.754
211 HE2 LYS 30 HE2 LYS 30 -10.173 -4.144 5.284
212 HE3 LYS 30 HE3 LYS 30 -8.753 -5.054 5.851
213 HZ1 LYS 30 HZ1 LYS 30 -9.003 -3.209 7.316
214 HZ2 LYS 30 HZ2 LYS 30 -7.761 -2.807 6.352
215 HZ3 LYS 30 HZ3 LYS 30 -9.238 -2.141 6.053
216 H CYS 31 H CYS 31 -5.218 -3.429 1.548
217 HA CYS 31 HA CYS 31 -4.324 -3.988 -1.210
218 HB2 CYS 31 HB2 CYS 31 -4.591 -1.415 -0.582
219 HB3 CYS 31 HB3 CYS 31 -3.107 -1.682 0.312
220 H LYS 32 H LYS 32 -2.390 -5.035 -1.364
221 HA LYS 32 HA LYS 32 -0.820 -5.598 1.104
222 HB2 LYS 32 HB2 LYS 32 -2.135 -7.487 0.363
223 HB3 LYS 32 HB3 LYS 32 -1.633 -7.244 -1.316
224 HG2 LYS 32 HG2 LYS 32 0.659 -7.870 -0.787
225 HG3 LYS 32 HG3 LYS 32 0.239 -8.071 0.930
226 HD2 LYS 32 HD2 LYS 32 -1.244 -9.934 0.437
227 HD3 LYS 32 HD3 LYS 32 -1.134 -9.623 -1.318
228 HE2 LYS 32 HE2 LYS 32 1.256 -9.993 -1.285
229 HE3 LYS 32 HE3 LYS 32 1.230 -10.283 0.462
230 HZ1 LYS 32 HZ1 LYS 32 -0.145 -12.255 0.044
231 HZ2 LYS 32 HZ2 LYS 32 -0.091 -11.970 -1.601
232 HZ3 LYS 32 HZ3 LYS 32 1.263 -12.368 -0.768
233 H CYS 33 H CYS 33 1.308 -5.130 1.058
234 HA CYS 33 HA CYS 33 2.565 -4.155 -1.443
235 HB2 CYS 33 HB2 CYS 33 3.335 -3.989 1.475
236 HB3 CYS 33 HB3 CYS 33 4.523 -3.816 0.201
237 H TYR 34 H TYR 34 4.010 -5.345 -2.592
238 HA TYR 34 HA TYR 34 3.866 -8.204 -2.213
239 HB2 TYR 34 HB2 TYR 34 5.395 -6.452 -4.176
240 HB3 TYR 34 HB3 TYR 34 5.352 -8.199 -4.264
241 HD1 TYR 34 HD1 TYR 34 2.802 -9.218 -4.126
242 HD2 TYR 34 HD2 TYR 34 3.974 -5.381 -5.740
243 HE1 TYR 34 HE1 TYR 34 0.947 -9.324 -5.765
244 HE2 TYR 34 HE2 TYR 34 2.120 -5.509 -7.371
245 HH TYR 34 HH TYR 34 0.078 -8.444 -7.649
246 H TYR 35 H TYR 35 6.541 -5.915 -1.880
247 HA TYR 35 HA TYR 35 8.369 -8.068 -0.859
248 HB2 TYR 35 HB2 TYR 35 9.058 -5.809 -2.746
249 HB3 TYR 35 HB3 TYR 35 10.134 -7.097 -2.208
250 HD1 TYR 35 HD1 TYR 35 9.151 -9.590 -2.725
251 HD2 TYR 35 HD2 TYR 35 8.230 -5.983 -4.913
252 HE1 TYR 35 HE1 TYR 35 8.544 -10.943 -4.721
253 HE2 TYR 35 HE2 TYR 35 7.585 -7.336 -6.880
254 HH TYR 35 HH TYR 35 7.819 -10.919 -6.855
255 H CYS 36 H CYS 36 6.844 -6.290 0.849
256 HA CYS 36 HA CYS 36 8.952 -5.403 2.558
257 HB2 CYS 36 HB2 CYS 36 9.152 -3.566 1.075
258 HB3 CYS 36 HB3 CYS 36 7.408 -3.380 0.941
Start of MODEL 12
1 H1 ALA 1 H1 ALA 1 4.519 -6.513 5.606
2 H2 ALA 1 H2 ALA 1 4.431 -4.896 5.289
3 H3 ALA 1 H3 ALA 1 4.949 -5.950 4.119
4 HA ALA 1 HA ALA 1 2.717 -5.286 3.631
5 HB1 ALA 1 HB1 ALA 1 1.650 -7.562 3.659
6 HB2 ALA 1 HB2 ALA 1 3.287 -7.567 3.028
7 HB3 ALA 1 HB3 ALA 1 2.970 -8.144 4.664
8 H ALA 2 H ALA 2 0.531 -4.795 4.371
9 HA ALA 2 HA ALA 2 -0.228 -5.392 7.094
10 HB1 ALA 2 HB1 ALA 2 -0.421 -3.012 7.792
11 HB2 ALA 2 HB2 ALA 2 1.268 -3.453 7.518
12 HB3 ALA 2 HB3 ALA 2 0.396 -2.500 6.299
13 H ALA 3 H ALA 3 -2.490 -5.170 7.289
14 HA ALA 3 HA ALA 3 -3.931 -4.653 4.767
15 HB1 ALA 3 HB1 ALA 3 -5.924 -5.281 5.978
16 HB2 ALA 3 HB2 ALA 3 -4.654 -6.514 6.126
17 HB3 ALA 3 HB3 ALA 3 -5.002 -5.426 7.493
18 H ILE 4 H ILE 4 -3.977 -2.643 4.184
19 HA ILE 4 HA ILE 4 -4.865 -0.526 6.087
20 HB ILE 4 HB ILE 4 -3.629 1.080 4.860
21 HG12 ILE 4 HG12 ILE 4 -1.596 -0.012 3.600
22 HG13 ILE 4 HG13 ILE 4 -2.710 -1.309 3.229
23 HG21 ILE 4 HG21 ILE 4 -2.716 -0.010 6.879
24 HG22 ILE 4 HG22 ILE 4 -1.880 -1.180 5.823
25 HG23 ILE 4 HG23 ILE 4 -1.508 0.565 5.723
26 HD11 ILE 4 HD11 ILE 4 -3.109 1.669 2.762
27 HD12 ILE 4 HD12 ILE 4 -2.619 0.504 1.500
28 HD13 ILE 4 HD13 ILE 4 -4.241 0.392 2.217
29 H SER 5 H SER 5 -5.994 1.259 5.239
30 HA SER 5 HA SER 5 -8.177 0.452 3.508
31 HB2 SER 5 HB2 SER 5 -7.532 3.172 4.717
32 HB3 SER 5 HB3 SER 5 -9.044 2.692 3.937
33 HG SER 5 HG SER 5 -9.309 2.462 6.132
34 H CYS 6 H CYS 6 -7.892 0.339 1.363
35 HA CYS 6 HA CYS 6 -6.013 1.890 -0.174
36 HB2 CYS 6 HB2 CYS 6 -6.947 -0.247 -0.841
37 HB3 CYS 6 HB3 CYS 6 -8.554 0.460 -0.973
38 H VAL 7 H VAL 7 -9.239 2.790 0.974
39 HA VAL 7 HA VAL 7 -9.740 4.881 -0.935
40 HB VAL 7 HB VAL 7 -11.449 5.666 0.633
41 HG11 VAL 7 HG11 VAL 7 -12.855 3.726 0.572
42 HG12 VAL 7 HG12 VAL 7 -11.867 3.775 -0.892
43 HG13 VAL 7 HG13 VAL 7 -11.464 2.639 0.409
44 HG21 VAL 7 HG21 VAL 7 -11.931 4.562 2.736
45 HG22 VAL 7 HG22 VAL 7 -10.508 3.525 2.575
46 HG23 VAL 7 HG23 VAL 7 -10.321 5.279 2.821
47 H GLY 8 H GLY 8 -7.552 4.919 1.653
48 HA2 GLY 8 HA2 GLY 8 -7.850 7.247 3.030
49 HA3 GLY 8 HA3 GLY 8 -6.294 6.513 2.633
50 H SER 9 H SER 9 -4.949 7.394 1.162
51 HA SER 9 HA SER 9 -5.814 9.757 -0.445
52 HB2 SER 9 HB2 SER 9 -3.896 9.811 1.832
53 HB3 SER 9 HB3 SER 9 -3.404 10.675 0.357
54 HG SER 9 HG SER 9 -5.136 11.941 0.438
55 HA PRO 10 HA PRO 10 -2.271 7.487 -2.639
56 HB2 PRO 10 HB2 PRO 10 -0.460 5.986 -1.351
57 HB3 PRO 10 HB3 PRO 10 -0.314 7.780 -1.298
58 HG2 PRO 10 HG2 PRO 10 -1.588 5.932 0.734
59 HG3 PRO 10 HG3 PRO 10 -0.349 7.194 1.050
60 HD2 PRO 10 HD2 PRO 10 -3.054 7.600 1.377
61 HD3 PRO 10 HD3 PRO 10 -1.943 8.904 0.810
62 H GLU 11 H GLU 11 -1.917 5.021 -3.218
63 HA GLU 11 HA GLU 11 -4.363 3.568 -2.464
64 HB2 GLU 11 HB2 GLU 11 -2.132 2.703 -4.323
65 HB3 GLU 11 HB3 GLU 11 -3.728 1.973 -4.147
66 HG2 GLU 11 HG2 GLU 11 -4.766 4.068 -4.997
67 HG3 GLU 11 HG3 GLU 11 -3.149 4.767 -5.228
68 H CYS 12 H CYS 12 -0.934 2.462 -2.642
69 HA CYS 12 HA CYS 12 -1.417 0.795 -0.220
70 HB2 CYS 12 HB2 CYS 12 -2.262 -0.447 -2.059
71 HB3 CYS 12 HB3 CYS 12 -0.805 -0.245 -2.990
72 HA PRO 13 HA PRO 13 3.164 0.051 -0.761
73 HB2 PRO 13 HB2 PRO 13 4.712 1.704 -2.443
74 HB3 PRO 13 HB3 PRO 13 4.179 0.027 -2.722
75 HG2 PRO 13 HG2 PRO 13 2.975 2.573 -3.769
76 HG3 PRO 13 HG3 PRO 13 3.079 0.973 -4.553
77 HD2 PRO 13 HD2 PRO 13 0.780 1.909 -3.397
78 HD3 PRO 13 HD3 PRO 13 1.210 0.185 -3.426
79 HA PRO 14 HA PRO 14 4.730 4.163 0.949
80 HB2 PRO 14 HB2 PRO 14 3.395 6.508 0.797
81 HB3 PRO 14 HB3 PRO 14 4.400 5.903 -0.558
82 HG2 PRO 14 HG2 PRO 14 1.409 5.601 -0.175
83 HG3 PRO 14 HG3 PRO 14 2.265 6.217 -1.629
84 HD2 PRO 14 HD2 PRO 14 1.439 3.621 -1.435
85 HD3 PRO 14 HD3 PRO 14 2.999 4.062 -2.216
86 H LYS 15 H LYS 15 1.267 3.483 1.155
87 HA LYS 15 HA LYS 15 1.049 4.454 3.927
88 HB2 LYS 15 HB2 LYS 15 -0.785 4.442 2.040
89 HB3 LYS 15 HB3 LYS 15 -1.079 2.782 2.585
90 HG2 LYS 15 HG2 LYS 15 -1.291 3.782 4.964
91 HG3 LYS 15 HG3 LYS 15 -1.184 5.366 4.199
92 HD2 LYS 15 HD2 LYS 15 -3.457 3.365 4.038
93 HD3 LYS 15 HD3 LYS 15 -3.424 4.973 4.701
94 HE2 LYS 15 HE2 LYS 15 -4.470 5.502 2.801
95 HE3 LYS 15 HE3 LYS 15 -2.816 5.705 2.229
96 HZ1 LYS 15 HZ1 LYS 15 -4.076 4.417 0.643
97 HZ2 LYS 15 HZ2 LYS 15 -3.043 3.361 1.309
98 HZ3 LYS 15 HZ3 LYS 15 -4.618 3.384 1.793
99 H CYS 16 H CYS 16 2.060 1.520 2.465
100 HA CYS 16 HA CYS 16 1.042 -0.415 4.192
101 HB2 CYS 16 HB2 CYS 16 2.228 -0.634 1.976
102 HB3 CYS 16 HB3 CYS 16 3.759 -0.473 2.829
103 H ARG 17 H ARG 17 3.690 1.775 4.913
104 HA ARG 17 HA ARG 17 3.736 1.086 7.710
105 HB2 ARG 17 HB2 ARG 17 6.099 0.495 7.860
106 HB3 ARG 17 HB3 ARG 17 5.211 -0.678 6.862
107 HG2 ARG 17 HG2 ARG 17 6.098 0.335 4.804
108 HG3 ARG 17 HG3 ARG 17 6.956 1.534 5.788
109 HD2 ARG 17 HD2 ARG 17 8.458 -0.157 5.069
110 HD3 ARG 17 HD3 ARG 17 8.330 -0.176 6.818
111 HE ARG 17 HE ARG 17 7.096 -2.187 4.943
112 HH11 ARG 17 HH11 ARG 17 8.211 -1.533 8.235
113 HH12 ARG 17 HH12 ARG 17 8.524 -3.215 8.510
114 HH21 ARG 17 HH21 ARG 17 7.295 -4.349 5.503
115 HH22 ARG 17 HH22 ARG 17 7.659 -4.706 7.181
116 H ALA 18 H ALA 18 5.397 2.533 8.858
117 HA ALA 18 HA ALA 18 4.835 5.204 8.315
118 HB1 ALA 18 HB1 ALA 18 7.124 3.901 9.851
119 HB2 ALA 18 HB2 ALA 18 6.696 5.637 9.965
120 HB3 ALA 18 HB3 ALA 18 5.535 4.398 10.488
121 H GLN 19 H GLN 19 7.786 3.449 7.347
122 HA GLN 19 HA GLN 19 8.813 5.793 5.824
123 HB2 GLN 19 HB2 GLN 19 10.839 4.517 5.574
124 HB3 GLN 19 HB3 GLN 19 10.378 4.728 7.263
125 HG2 GLN 19 HG2 GLN 19 9.621 2.179 5.775
126 HG3 GLN 19 HG3 GLN 19 11.232 2.441 6.393
127 HE21 GLN 19 HE22 GLN 19 11.561 2.616 8.746
128 HE22 GLN 19 HE21 GLN 19 10.265 2.112 9.848
129 H GLY 20 H GLY 20 6.562 3.649 5.080
130 HA2 GLY 20 HA2 GLY 20 5.676 2.688 3.257
131 HA3 GLY 20 HA3 GLY 20 6.664 3.772 2.259
132 H CYS 21 H CYS 21 6.007 1.461 1.266
133 HA CYS 21 HA CYS 21 8.294 -0.445 1.521
134 HB2 CYS 21 HB2 CYS 21 5.317 -0.676 0.969
135 HB3 CYS 21 HB3 CYS 21 6.390 -1.901 0.342
136 H LYS 22 H LYS 22 8.859 -1.739 -0.322
137 HA LYS 22 HA LYS 22 9.812 -0.274 -2.490
138 HB2 LYS 22 HB2 LYS 22 9.223 -3.273 -2.482
139 HB3 LYS 22 HB3 LYS 22 10.301 -2.398 -3.596
140 HG2 LYS 22 HG2 LYS 22 11.695 -1.728 -1.562
141 HG3 LYS 22 HG3 LYS 22 10.697 -2.846 -0.597
142 HD2 LYS 22 HD2 LYS 22 11.376 -4.716 -2.183
143 HD3 LYS 22 HD3 LYS 22 12.397 -3.557 -3.044
144 HE2 LYS 22 HE2 LYS 22 13.913 -4.640 -1.668
145 HE3 LYS 22 HE3 LYS 22 13.569 -3.167 -0.765
146 HZ1 LYS 22 HZ1 LYS 22 11.981 -4.502 0.588
147 HZ2 LYS 22 HZ2 LYS 22 12.403 -5.863 -0.245
148 HZ3 LYS 22 HZ3 LYS 22 13.506 -5.106 0.672
149 H ASN 23 H ASN 23 7.100 -2.607 -2.847
150 HA ASN 23 HA ASN 23 5.595 -0.720 -4.488
151 HB2 ASN 23 HB2 ASN 23 7.256 -2.000 -6.024
152 HB3 ASN 23 HB3 ASN 23 6.255 -3.413 -5.731
153 HD21 ASN 23 HD22 ASN 23 6.497 -2.781 -8.279
154 HD22 ASN 23 HD21 ASN 23 5.106 -1.873 -8.881
155 H GLY 24 H GLY 24 3.429 -1.820 -5.133
156 HA2 GLY 24 HA2 GLY 24 2.351 -4.062 -3.807
157 HA3 GLY 24 HA3 GLY 24 2.052 -2.664 -2.759
158 H LYS 25 H LYS 25 -0.046 -4.101 -3.791
159 HA LYS 25 HA LYS 25 -1.323 -2.228 -5.746
160 HB2 LYS 25 HB2 LYS 25 -1.269 -5.265 -5.780
161 HB3 LYS 25 HB3 LYS 25 -2.440 -4.344 -6.700
162 HG2 LYS 25 HG2 LYS 25 0.521 -3.846 -7.117
163 HG3 LYS 25 HG3 LYS 25 -0.268 -5.263 -7.792
164 HD2 LYS 25 HD2 LYS 25 -0.033 -3.437 -9.399
165 HD3 LYS 25 HD3 LYS 25 -1.696 -4.001 -9.190
166 HE2 LYS 25 HE2 LYS 25 -2.296 -2.061 -7.897
167 HE3 LYS 25 HE3 LYS 25 -0.604 -1.537 -7.784
168 HZ1 LYS 25 HZ1 LYS 25 -0.596 -1.085 -10.120
169 HZ2 LYS 25 HZ2 LYS 25 -2.113 -1.687 -10.354
170 HZ3 LYS 25 HZ3 LYS 25 -1.867 -0.319 -9.474
171 H CYS 26 H CYS 26 -3.543 -2.068 -5.666
172 HA CYS 26 HA CYS 26 -4.832 -2.884 -3.121
173 HB2 CYS 26 HB2 CYS 26 -4.811 -0.554 -3.359
174 HB3 CYS 26 HB3 CYS 26 -5.248 -0.615 -5.059
175 H MET 27 H MET 27 -6.779 -3.856 -3.016
176 HA MET 27 HA MET 27 -8.262 -4.599 -5.486
177 HB2 MET 27 HB2 MET 27 -7.118 -6.633 -4.843
178 HB3 MET 27 HB3 MET 27 -7.637 -6.459 -3.155
179 HG2 MET 27 HG2 MET 27 -9.968 -6.779 -3.769
180 HG3 MET 27 HG3 MET 27 -9.577 -6.696 -5.487
181 HE1 MET 27 HE1 MET 27 -9.400 -8.706 -2.181
182 HE2 MET 27 HE2 MET 27 -8.673 -10.259 -2.656
183 HE3 MET 27 HE3 MET 27 -7.671 -8.795 -2.601
184 H ASN 28 H ASN 28 -9.890 -3.276 -5.301
185 HA ASN 28 HA ASN 28 -11.541 -1.997 -4.701
186 HB2 ASN 28 HB2 ASN 28 -12.569 -4.291 -4.527
187 HB3 ASN 28 HB3 ASN 28 -12.370 -4.180 -2.773
188 HD21 ASN 28 HD22 ASN 28 -14.655 -4.191 -2.336
189 HD22 ASN 28 HD21 ASN 28 -15.673 -2.824 -2.828
190 H ARG 29 H ARG 29 -10.616 -3.270 -1.564
191 HA ARG 29 HA ARG 29 -10.582 -0.511 -0.423
192 HB2 ARG 29 HB2 ARG 29 -11.520 -3.092 0.921
193 HB3 ARG 29 HB3 ARG 29 -11.564 -1.499 1.663
194 HG2 ARG 29 HG2 ARG 29 -13.098 -2.097 -0.866
195 HG3 ARG 29 HG3 ARG 29 -13.689 -2.588 0.734
196 HD2 ARG 29 HD2 ARG 29 -13.628 -0.247 1.479
197 HD3 ARG 29 HD3 ARG 29 -13.089 0.261 -0.132
198 HE ARG 29 HE ARG 29 -15.515 -1.298 -0.332
199 HH11 ARG 29 HH21 ARG 29 -14.643 1.815 1.025
200 HH12 ARG 29 HH22 ARG 29 -16.106 2.564 0.449
201 HH21 ARG 29 HH11 ARG 29 -17.425 -0.306 -0.908
202 HH22 ARG 29 HH12 ARG 29 -17.683 1.375 -0.516
203 H LYS 30 H LYS 30 -8.851 -3.448 -0.805
204 HA LYS 30 HA LYS 30 -7.149 -2.941 1.648
205 HB2 LYS 30 HB2 LYS 30 -8.114 -5.573 0.475
206 HB3 LYS 30 HB3 LYS 30 -7.015 -5.418 1.834
207 HG2 LYS 30 HG2 LYS 30 -9.917 -4.523 1.778
208 HG3 LYS 30 HG3 LYS 30 -9.283 -5.968 2.545
209 HD2 LYS 30 HD2 LYS 30 -8.022 -4.637 4.178
210 HD3 LYS 30 HD3 LYS 30 -8.483 -3.140 3.354
211 HE2 LYS 30 HE2 LYS 30 -9.915 -3.299 5.206
212 HE3 LYS 30 HE3 LYS 30 -10.889 -3.661 3.787
213 HZ1 LYS 30 HZ1 LYS 30 -9.787 -5.619 5.731
214 HZ2 LYS 30 HZ2 LYS 30 -11.364 -5.228 5.540
215 HZ3 LYS 30 HZ3 LYS 30 -10.617 -6.050 4.352
216 H CYS 31 H CYS 31 -4.982 -3.922 1.629
217 HA CYS 31 HA CYS 31 -3.744 -3.520 -1.085
218 HB2 CYS 31 HB2 CYS 31 -3.514 -1.475 -0.043
219 HB3 CYS 31 HB3 CYS 31 -3.415 -2.199 1.536
220 H LYS 32 H LYS 32 -2.262 -4.864 -1.744
221 HA LYS 32 HA LYS 32 -0.898 -6.754 0.158
222 HB2 LYS 32 HB2 LYS 32 -2.407 -7.788 -1.537
223 HB3 LYS 32 HB3 LYS 32 -1.442 -7.046 -2.815
224 HG2 LYS 32 HG2 LYS 32 0.587 -8.336 -1.776
225 HG3 LYS 32 HG3 LYS 32 -0.616 -9.182 -0.793
226 HD2 LYS 32 HD2 LYS 32 -0.193 -10.587 -2.682
227 HD3 LYS 32 HD3 LYS 32 -1.774 -9.835 -2.984
228 HE2 LYS 32 HE2 LYS 32 -0.471 -8.024 -4.280
229 HE3 LYS 32 HE3 LYS 32 0.943 -9.077 -4.167
230 HZ1 LYS 32 HZ1 LYS 32 -0.406 -9.336 -6.247
231 HZ2 LYS 32 HZ2 LYS 32 -0.320 -10.770 -5.404
232 HZ3 LYS 32 HZ3 LYS 32 -1.666 -9.843 -5.376
233 H CYS 33 H CYS 33 1.045 -6.046 0.635
234 HA CYS 33 HA CYS 33 2.580 -4.313 -1.190
235 HB2 CYS 33 HB2 CYS 33 3.298 -5.300 1.572
236 HB3 CYS 33 HB3 CYS 33 4.057 -3.975 0.690
237 H TYR 34 H TYR 34 4.044 -5.020 -2.602
238 HA TYR 34 HA TYR 34 4.171 -7.756 -3.274
239 HB2 TYR 34 HB2 TYR 34 5.788 -5.334 -4.124
240 HB3 TYR 34 HB3 TYR 34 6.138 -6.933 -4.722
241 HD1 TYR 34 HD1 TYR 34 2.552 -6.713 -4.454
242 HD2 TYR 34 HD2 TYR 34 5.974 -5.604 -6.851
243 HE1 TYR 34 HE1 TYR 34 1.126 -6.615 -6.477
244 HE2 TYR 34 HE2 TYR 34 4.531 -5.465 -8.857
245 HH TYR 34 HH TYR 34 2.444 -5.669 -9.681
246 H TYR 35 H TYR 35 6.897 -5.784 -2.134
247 HA TYR 35 HA TYR 35 8.382 -8.247 -1.340
248 HB2 TYR 35 HB2 TYR 35 9.513 -5.763 -2.593
249 HB3 TYR 35 HB3 TYR 35 10.318 -7.292 -2.411
250 HD1 TYR 35 HD1 TYR 35 8.457 -9.255 -3.635
251 HD2 TYR 35 HD2 TYR 35 9.392 -5.204 -4.820
252 HE1 TYR 35 HE1 TYR 35 7.701 -9.744 -5.952
253 HE2 TYR 35 HE2 TYR 35 8.621 -5.713 -7.116
254 HH TYR 35 HH TYR 35 7.256 -8.857 -8.103
255 H CYS 36 H CYS 36 6.848 -6.516 0.467
256 HA CYS 36 HA CYS 36 8.824 -5.760 2.479
257 HB2 CYS 36 HB2 CYS 36 9.121 -3.926 0.963
258 HB3 CYS 36 HB3 CYS 36 7.385 -3.719 0.760
Start of MODEL 13
1 H1 ALA 1 H1 ALA 1 3.254 -7.627 4.973
2 H2 ALA 1 H2 ALA 1 2.858 -7.087 6.486
3 H3 ALA 1 H3 ALA 1 3.549 -6.067 5.408
4 HA ALA 1 HA ALA 1 1.680 -6.107 3.978
5 HB1 ALA 1 HB1 ALA 1 0.486 -7.988 6.061
6 HB2 ALA 1 HB2 ALA 1 -0.329 -7.385 4.601
7 HB3 ALA 1 HB3 ALA 1 1.069 -8.456 4.445
8 H ALA 2 H ALA 2 -0.588 -5.065 4.588
9 HA ALA 2 HA ALA 2 -0.862 -4.046 7.279
10 HB1 ALA 2 HB1 ALA 2 0.676 -2.328 6.363
11 HB2 ALA 2 HB2 ALA 2 -0.431 -2.073 4.990
12 HB3 ALA 2 HB3 ALA 2 -0.941 -1.656 6.646
13 H ALA 3 H ALA 3 -2.973 -4.224 7.711
14 HA ALA 3 HA ALA 3 -4.923 -4.542 5.561
15 HB1 ALA 3 HB1 ALA 3 -6.408 -5.216 7.320
16 HB2 ALA 3 HB2 ALA 3 -4.851 -6.047 7.480
17 HB3 ALA 3 HB3 ALA 3 -5.243 -4.690 8.569
18 H ILE 4 H ILE 4 -4.635 -2.396 4.705
19 HA ILE 4 HA ILE 4 -6.175 -0.270 6.110
20 HB ILE 4 HB ILE 4 -4.694 1.370 4.950
21 HG12 ILE 4 HG12 ILE 4 -3.079 -1.105 4.266
22 HG13 ILE 4 HG13 ILE 4 -3.656 0.202 3.229
23 HG21 ILE 4 HG21 ILE 4 -2.994 1.387 6.649
24 HG22 ILE 4 HG22 ILE 4 -4.502 0.812 7.371
25 HG23 ILE 4 HG23 ILE 4 -3.218 -0.356 6.968
26 HD11 ILE 4 HD11 ILE 4 -1.275 0.374 3.538
27 HD12 ILE 4 HD12 ILE 4 -2.043 1.721 4.442
28 HD13 ILE 4 HD13 ILE 4 -1.414 0.298 5.294
29 H SER 5 H SER 5 -7.369 1.133 4.802
30 HA SER 5 HA SER 5 -8.340 -0.164 2.437
31 HB2 SER 5 HB2 SER 5 -10.007 1.329 2.248
32 HB3 SER 5 HB3 SER 5 -9.700 1.340 3.983
33 HG SER 5 HG SER 5 -9.997 3.395 3.120
34 H CYS 6 H CYS 6 -7.769 -0.085 0.519
35 HA CYS 6 HA CYS 6 -5.628 1.173 -0.775
36 HB2 CYS 6 HB2 CYS 6 -7.301 -0.590 -1.638
37 HB3 CYS 6 HB3 CYS 6 -8.341 0.785 -2.062
38 H VAL 7 H VAL 7 -8.889 2.538 -0.154
39 HA VAL 7 HA VAL 7 -8.680 4.994 -1.541
40 HB VAL 7 HB VAL 7 -10.057 4.583 1.145
41 HG11 VAL 7 HG11 VAL 7 -11.614 6.294 0.310
42 HG12 VAL 7 HG12 VAL 7 -9.974 6.930 0.410
43 HG13 VAL 7 HG13 VAL 7 -10.657 6.466 -1.170
44 HG21 VAL 7 HG21 VAL 7 -12.091 4.021 -0.153
45 HG22 VAL 7 HG22 VAL 7 -11.113 3.966 -1.633
46 HG23 VAL 7 HG23 VAL 7 -10.844 2.792 -0.325
47 H GLY 8 H GLY 8 -7.964 4.332 1.902
48 HA2 GLY 8 HA2 GLY 8 -6.888 5.635 3.516
49 HA3 GLY 8 HA3 GLY 8 -5.564 5.329 2.401
50 H SER 9 H SER 9 -4.338 6.955 2.294
51 HA SER 9 HA SER 9 -5.516 9.605 1.459
52 HB2 SER 9 HB2 SER 9 -4.648 10.067 3.537
53 HB3 SER 9 HB3 SER 9 -3.292 8.975 3.354
54 HG SER 9 HG SER 9 -3.686 11.515 2.110
55 HA PRO 10 HA PRO 10 -2.053 8.549 -1.705
56 HB2 PRO 10 HB2 PRO 10 -0.070 6.840 -1.154
57 HB3 PRO 10 HB3 PRO 10 -0.060 8.500 -0.497
58 HG2 PRO 10 HG2 PRO 10 -0.982 5.971 0.912
59 HG3 PRO 10 HG3 PRO 10 0.155 7.216 1.526
60 HD2 PRO 10 HD2 PRO 10 -2.506 7.159 2.114
61 HD3 PRO 10 HD3 PRO 10 -1.564 8.681 1.964
62 H GLU 11 H GLU 11 -1.224 6.042 -2.841
63 HA GLU 11 HA GLU 11 -3.847 4.689 -2.986
64 HB2 GLU 11 HB2 GLU 11 -1.407 4.326 -4.713
65 HB3 GLU 11 HB3 GLU 11 -2.968 3.535 -4.904
66 HG2 GLU 11 HG2 GLU 11 -4.037 5.838 -5.079
67 HG3 GLU 11 HG3 GLU 11 -2.410 6.513 -5.161
68 H CYS 12 H CYS 12 -0.472 3.326 -2.659
69 HA CYS 12 HA CYS 12 -1.514 1.597 -0.525
70 HB2 CYS 12 HB2 CYS 12 -2.376 0.443 -2.432
71 HB3 CYS 12 HB3 CYS 12 -0.814 0.377 -3.201
72 HA PRO 13 HA PRO 13 3.031 0.290 -0.814
73 HB2 PRO 13 HB2 PRO 13 4.807 1.989 -2.192
74 HB3 PRO 13 HB3 PRO 13 4.222 0.379 -2.676
75 HG2 PRO 13 HG2 PRO 13 3.304 3.076 -3.593
76 HG3 PRO 13 HG3 PRO 13 3.310 1.532 -4.486
77 HD2 PRO 13 HD2 PRO 13 1.057 2.684 -3.372
78 HD3 PRO 13 HD3 PRO 13 1.236 0.940 -3.627
79 HA PRO 14 HA PRO 14 4.819 4.196 1.138
80 HB2 PRO 14 HB2 PRO 14 3.538 6.579 1.279
81 HB3 PRO 14 HB3 PRO 14 4.421 6.051 -0.189
82 HG2 PRO 14 HG2 PRO 14 1.455 5.735 0.394
83 HG3 PRO 14 HG3 PRO 14 2.211 6.496 -1.049
84 HD2 PRO 14 HD2 PRO 14 1.334 3.947 -1.037
85 HD3 PRO 14 HD3 PRO 14 2.875 4.388 -1.869
86 H LYS 15 H LYS 15 1.449 3.469 1.648
87 HA LYS 15 HA LYS 15 1.365 4.452 4.450
88 HB2 LYS 15 HB2 LYS 15 -0.999 3.747 4.344
89 HB3 LYS 15 HB3 LYS 15 -0.533 4.979 3.182
90 HG2 LYS 15 HG2 LYS 15 -0.511 3.442 1.347
91 HG3 LYS 15 HG3 LYS 15 -0.609 2.062 2.420
92 HD2 LYS 15 HD2 LYS 15 -2.761 2.108 1.678
93 HD3 LYS 15 HD3 LYS 15 -2.975 3.142 3.090
94 HE2 LYS 15 HE2 LYS 15 -3.021 5.117 1.852
95 HE3 LYS 15 HE3 LYS 15 -2.170 4.397 0.477
96 HZ1 LYS 15 HZ1 LYS 15 -4.926 3.591 1.179
97 HZ2 LYS 15 HZ2 LYS 15 -4.500 4.739 0.029
98 HZ3 LYS 15 HZ3 LYS 15 -4.024 3.229 -0.168
99 H CYS 16 H CYS 16 2.102 1.438 2.922
100 HA CYS 16 HA CYS 16 1.232 -0.393 4.851
101 HB2 CYS 16 HB2 CYS 16 3.567 -0.381 2.916
102 HB3 CYS 16 HB3 CYS 16 3.216 -1.781 3.936
103 H ARG 17 H ARG 17 4.110 1.658 5.077
104 HA ARG 17 HA ARG 17 4.452 1.070 7.897
105 HB2 ARG 17 HB2 ARG 17 6.818 0.432 7.736
106 HB3 ARG 17 HB3 ARG 17 5.762 -0.758 6.941
107 HG2 ARG 17 HG2 ARG 17 6.370 0.112 4.732
108 HG3 ARG 17 HG3 ARG 17 7.332 1.393 5.483
109 HD2 ARG 17 HD2 ARG 17 8.739 -0.317 4.643
110 HD3 ARG 17 HD3 ARG 17 8.891 -0.217 6.401
111 HE ARG 17 HE ARG 17 7.121 -2.239 6.253
112 HH11 ARG 17 HH11 ARG 17 10.221 -1.904 4.643
113 HH12 ARG 17 HH12 ARG 17 10.231 -3.625 4.233
114 HH21 ARG 17 HH21 ARG 17 7.366 -4.361 5.861
115 HH22 ARG 17 HH22 ARG 17 8.753 -4.932 4.918
116 H ALA 18 H ALA 18 6.318 2.491 8.764
117 HA ALA 18 HA ALA 18 5.671 5.149 8.329
118 HB1 ALA 18 HB1 ALA 18 8.240 3.914 9.410
119 HB2 ALA 18 HB2 ALA 18 7.743 5.611 9.645
120 HB3 ALA 18 HB3 ALA 18 6.765 4.298 10.328
121 H GLN 19 H GLN 19 8.650 3.593 7.073
122 HA GLN 19 HA GLN 19 9.292 5.830 5.305
123 HB2 GLN 19 HB2 GLN 19 11.238 4.597 4.713
124 HB3 GLN 19 HB3 GLN 19 11.084 4.700 6.450
125 HG2 GLN 19 HG2 GLN 19 10.090 2.235 4.952
126 HG3 GLN 19 HG3 GLN 19 11.784 2.494 5.290
127 HE21 GLN 19 HE22 GLN 19 12.589 1.984 7.358
128 HE22 GLN 19 HE21 GLN 19 11.536 1.482 8.672
129 H GLY 20 H GLY 20 6.966 3.601 4.932
130 HA2 GLY 20 HA2 GLY 20 5.836 2.649 3.239
131 HA3 GLY 20 HA3 GLY 20 6.694 3.729 2.115
132 H CYS 21 H CYS 21 5.874 1.344 1.302
133 HA CYS 21 HA CYS 21 8.146 -0.552 1.345
134 HB2 CYS 21 HB2 CYS 21 5.203 -0.795 0.855
135 HB3 CYS 21 HB3 CYS 21 6.298 -2.025 0.246
136 H LYS 22 H LYS 22 8.973 -1.463 -0.471
137 HA LYS 22 HA LYS 22 9.576 -0.079 -2.736
138 HB2 LYS 22 HB2 LYS 22 9.174 -3.098 -2.729
139 HB3 LYS 22 HB3 LYS 22 10.204 -2.163 -3.810
140 HG2 LYS 22 HG2 LYS 22 11.488 -1.429 -1.680
141 HG3 LYS 22 HG3 LYS 22 10.586 -2.742 -0.864
142 HD2 LYS 22 HD2 LYS 22 11.468 -4.373 -2.436
143 HD3 LYS 22 HD3 LYS 22 12.336 -3.095 -3.304
144 HE2 LYS 22 HE2 LYS 22 14.013 -4.020 -2.002
145 HE3 LYS 22 HE3 LYS 22 13.525 -2.601 -1.074
146 HZ1 LYS 22 HZ1 LYS 22 12.097 -4.189 0.246
147 HZ2 LYS 22 HZ2 LYS 22 12.803 -5.444 -0.533
148 HZ3 LYS 22 HZ3 LYS 22 13.717 -4.443 0.397
149 H ASN 23 H ASN 23 6.766 -2.313 -2.657
150 HA ASN 23 HA ASN 23 5.385 -0.710 -4.644
151 HB2 ASN 23 HB2 ASN 23 6.891 -2.413 -5.951
152 HB3 ASN 23 HB3 ASN 23 5.762 -3.636 -5.360
153 HD21 ASN 23 HD22 ASN 23 6.024 -0.624 -7.302
154 HD22 ASN 23 HD21 ASN 23 4.654 -1.051 -8.318
155 H GLY 24 H GLY 24 3.164 -1.540 -5.018
156 HA2 GLY 24 HA2 GLY 24 1.945 -3.569 -3.567
157 HA3 GLY 24 HA3 GLY 24 1.762 -2.126 -2.561
158 H LYS 25 H LYS 25 -0.283 -3.714 -3.789
159 HA LYS 25 HA LYS 25 -1.770 -1.801 -5.528
160 HB2 LYS 25 HB2 LYS 25 -0.806 -4.581 -6.273
161 HB3 LYS 25 HB3 LYS 25 -2.202 -3.878 -7.064
162 HG2 LYS 25 HG2 LYS 25 -0.785 -1.876 -7.687
163 HG3 LYS 25 HG3 LYS 25 0.614 -2.736 -7.018
164 HD2 LYS 25 HD2 LYS 25 0.349 -4.526 -8.679
165 HD3 LYS 25 HD3 LYS 25 -1.078 -3.713 -9.342
166 HE2 LYS 25 HE2 LYS 25 0.851 -3.204 -10.731
167 HE3 LYS 25 HE3 LYS 25 0.311 -1.730 -9.907
168 HZ1 LYS 25 HZ1 LYS 25 2.139 -2.035 -8.315
169 HZ2 LYS 25 HZ2 LYS 25 2.608 -3.432 -9.074
170 HZ3 LYS 25 HZ3 LYS 25 2.752 -2.001 -9.816
171 H CYS 26 H CYS 26 -3.991 -2.918 -6.089
172 HA CYS 26 HA CYS 26 -5.104 -4.017 -3.527
173 HB2 CYS 26 HB2 CYS 26 -6.321 -1.883 -5.300
174 HB3 CYS 26 HB3 CYS 26 -6.947 -2.467 -3.764
175 H MET 27 H MET 27 -7.330 -4.877 -3.711
176 HA MET 27 HA MET 27 -8.088 -6.095 -6.329
177 HB2 MET 27 HB2 MET 27 -8.049 -7.606 -3.675
178 HB3 MET 27 HB3 MET 27 -8.522 -8.227 -5.250
179 HG2 MET 27 HG2 MET 27 -6.179 -7.919 -6.044
180 HG3 MET 27 HG3 MET 27 -5.741 -7.318 -4.431
181 HE1 MET 27 HE1 MET 27 -7.938 -10.458 -5.656
182 HE2 MET 27 HE2 MET 27 -6.468 -10.434 -6.660
183 HE3 MET 27 HE3 MET 27 -6.712 -11.729 -5.472
184 H ASN 28 H ASN 28 -9.064 -5.635 -2.931
185 HA ASN 28 HA ASN 28 -11.906 -5.106 -3.666
186 HB2 ASN 28 HB2 ASN 28 -11.436 -7.476 -2.974
187 HB3 ASN 28 HB3 ASN 28 -10.782 -6.866 -1.449
188 HD21 ASN 28 HD22 ASN 28 -12.467 -8.493 -0.779
189 HD22 ASN 28 HD21 ASN 28 -14.083 -7.874 -0.465
190 H ARG 29 H ARG 29 -10.801 -2.882 -3.486
191 HA ARG 29 HA ARG 29 -9.665 -1.197 -2.495
192 HB2 ARG 29 HB2 ARG 29 -11.267 0.145 -1.208
193 HB3 ARG 29 HB3 ARG 29 -11.850 -0.509 -2.710
194 HG2 ARG 29 HG2 ARG 29 -13.142 -2.260 -1.552
195 HG3 ARG 29 HG3 ARG 29 -12.463 -1.720 0.004
196 HD2 ARG 29 HD2 ARG 29 -14.611 -0.754 -0.164
197 HD3 ARG 29 HD3 ARG 29 -13.436 0.535 -0.444
198 HE ARG 29 HE ARG 29 -14.059 0.684 -2.713
199 HH11 ARG 29 HH11 ARG 29 -16.106 -1.721 -1.088
200 HH12 ARG 29 HH12 ARG 29 -17.187 -1.788 -2.456
201 HH21 ARG 29 HH21 ARG 29 -15.627 0.641 -4.307
202 HH22 ARG 29 HH22 ARG 29 -16.958 -0.468 -4.175
203 H LYS 30 H LYS 30 -8.613 -3.494 -1.250
204 HA LYS 30 HA LYS 30 -7.556 -2.274 1.301
205 HB2 LYS 30 HB2 LYS 30 -8.257 -5.136 0.577
206 HB3 LYS 30 HB3 LYS 30 -7.058 -4.772 1.817
207 HG2 LYS 30 HG2 LYS 30 -8.641 -3.604 3.181
208 HG3 LYS 30 HG3 LYS 30 -9.849 -3.568 1.886
209 HD2 LYS 30 HD2 LYS 30 -10.370 -5.227 3.622
210 HD3 LYS 30 HD3 LYS 30 -10.212 -5.931 2.008
211 HE2 LYS 30 HE2 LYS 30 -7.925 -6.724 2.564
212 HE3 LYS 30 HE3 LYS 30 -8.059 -6.002 4.179
213 HZ1 LYS 30 HZ1 LYS 30 -9.908 -7.493 4.625
214 HZ2 LYS 30 HZ2 LYS 30 -9.839 -8.145 3.136
215 HZ3 LYS 30 HZ3 LYS 30 -8.594 -8.379 4.185
216 H CYS 31 H CYS 31 -5.307 -2.521 1.714
217 HA CYS 31 HA CYS 31 -3.792 -2.530 -0.861
218 HB2 CYS 31 HB2 CYS 31 -3.712 -0.531 0.498
219 HB3 CYS 31 HB3 CYS 31 -3.254 -1.484 1.908
220 H LYS 32 H LYS 32 -2.451 -3.963 -1.512
221 HA LYS 32 HA LYS 32 -1.222 -5.904 0.403
222 HB2 LYS 32 HB2 LYS 32 -2.062 -6.321 -2.480
223 HB3 LYS 32 HB3 LYS 32 -1.066 -7.410 -1.517
224 HG2 LYS 32 HG2 LYS 32 -3.006 -7.358 0.226
225 HG3 LYS 32 HG3 LYS 32 -3.969 -6.637 -1.064
226 HD2 LYS 32 HD2 LYS 32 -4.431 -8.988 -1.004
227 HD3 LYS 32 HD3 LYS 32 -3.490 -8.679 -2.474
228 HE2 LYS 32 HE2 LYS 32 -1.449 -9.509 -1.390
229 HE3 LYS 32 HE3 LYS 32 -2.275 -9.622 0.169
230 HZ1 LYS 32 HZ1 LYS 32 -3.644 -11.383 -0.701
231 HZ2 LYS 32 HZ2 LYS 32 -2.983 -11.222 -2.221
232 HZ3 LYS 32 HZ3 LYS 32 -2.066 -11.768 -0.978
233 H CYS 33 H CYS 33 0.710 -5.065 0.875
234 HA CYS 33 HA CYS 33 2.451 -3.971 -1.246
235 HB2 CYS 33 HB2 CYS 33 2.681 -4.186 1.747
236 HB3 CYS 33 HB3 CYS 33 4.109 -3.935 0.739
237 H TYR 34 H TYR 34 4.096 -4.958 -2.222
238 HA TYR 34 HA TYR 34 3.896 -7.906 -2.201
239 HB2 TYR 34 HB2 TYR 34 5.113 -5.936 -4.165
240 HB3 TYR 34 HB3 TYR 34 5.031 -7.672 -4.393
241 HD1 TYR 34 HD1 TYR 34 1.870 -7.309 -3.096
242 HD2 TYR 34 HD2 TYR 34 4.223 -6.044 -6.488
243 HE1 TYR 34 HE1 TYR 34 -0.173 -7.284 -4.524
244 HE2 TYR 34 HE2 TYR 34 2.190 -6.134 -7.921
245 HH TYR 34 HH TYR 34 0.041 -6.798 -8.073
246 H TYR 35 H TYR 35 6.641 -5.594 -2.292
247 HA TYR 35 HA TYR 35 8.531 -7.887 -1.937
248 HB2 TYR 35 HB2 TYR 35 9.132 -5.298 -3.343
249 HB3 TYR 35 HB3 TYR 35 10.016 -6.806 -3.428
250 HD1 TYR 35 HD2 TYR 35 8.104 -8.864 -4.143
251 HD2 TYR 35 HD1 TYR 35 8.295 -4.745 -5.437
252 HE1 TYR 35 HE2 TYR 35 6.828 -9.440 -6.193
253 HE2 TYR 35 HE1 TYR 35 7.017 -5.327 -7.480
254 HH TYR 35 HH TYR 35 5.968 -6.977 -8.667
255 H CYS 36 H CYS 36 7.531 -6.253 0.397
256 HA CYS 36 HA CYS 36 10.142 -5.131 1.309
257 HB2 CYS 36 HB2 CYS 36 9.007 -3.293 2.104
258 HB3 CYS 36 HB3 CYS 36 8.384 -3.512 0.509
Start of MODEL 14
1 H1 ALA 1 H1 ALA 1 5.142 -6.565 4.842
2 H2 ALA 1 H2 ALA 1 4.220 -6.998 6.145
3 H3 ALA 1 H3 ALA 1 4.705 -5.424 5.930
4 HA ALA 1 HA ALA 1 3.422 -5.213 3.955
5 HB1 ALA 1 HB1 ALA 1 1.915 -6.967 3.235
6 HB2 ALA 1 HB2 ALA 1 3.516 -7.694 3.419
7 HB3 ALA 1 HB3 ALA 1 2.282 -7.946 4.666
8 H ALA 2 H ALA 2 0.963 -4.701 4.048
9 HA ALA 2 HA ALA 2 -0.251 -4.831 6.703
10 HB1 ALA 2 HB1 ALA 2 -0.430 -2.395 6.964
11 HB2 ALA 2 HB2 ALA 2 1.271 -2.866 6.903
12 HB3 ALA 2 HB3 ALA 2 0.498 -2.147 5.474
13 H ALA 3 H ALA 3 -2.355 -5.157 6.437
14 HA ALA 3 HA ALA 3 -3.605 -4.885 3.811
15 HB1 ALA 3 HB1 ALA 3 -3.773 -6.882 5.273
16 HB2 ALA 3 HB2 ALA 3 -4.673 -5.889 6.455
17 HB3 ALA 3 HB3 ALA 3 -5.346 -6.182 4.828
18 H ILE 4 H ILE 4 -3.315 -2.444 4.020
19 HA ILE 4 HA ILE 4 -5.006 -1.056 5.938
20 HB ILE 4 HB ILE 4 -3.905 0.971 5.081
21 HG12 ILE 4 HG12 ILE 4 -1.559 0.228 4.056
22 HG13 ILE 4 HG13 ILE 4 -2.490 -1.057 3.312
23 HG21 ILE 4 HG21 ILE 4 -2.127 -1.205 6.141
24 HG22 ILE 4 HG22 ILE 4 -1.867 0.573 6.190
25 HG23 ILE 4 HG23 ILE 4 -3.208 -0.161 7.100
26 HD11 ILE 4 HD11 ILE 4 -3.964 0.545 2.275
27 HD12 ILE 4 HD12 ILE 4 -3.160 1.853 3.178
28 HD13 ILE 4 HD13 ILE 4 -2.272 0.966 1.915
29 H SER 5 H SER 5 -6.395 0.596 5.438
30 HA SER 5 HA SER 5 -8.256 0.365 3.307
31 HB2 SER 5 HB2 SER 5 -7.464 2.831 4.898
32 HB3 SER 5 HB3 SER 5 -8.958 2.614 3.971
33 HG SER 5 HG SER 5 -8.689 2.146 6.443
34 H CYS 6 H CYS 6 -7.478 0.338 1.250
35 HA CYS 6 HA CYS 6 -5.495 1.976 0.067
36 HB2 CYS 6 HB2 CYS 6 -6.604 -0.131 -0.776
37 HB3 CYS 6 HB3 CYS 6 -7.987 0.862 -1.238
38 H VAL 7 H VAL 7 -8.773 2.826 0.905
39 HA VAL 7 HA VAL 7 -9.187 4.983 -0.954
40 HB VAL 7 HB VAL 7 -11.120 5.519 0.539
41 HG11 VAL 7 HG11 VAL 7 -12.359 3.484 0.053
42 HG12 VAL 7 HG12 VAL 7 -11.298 3.892 -1.302
43 HG13 VAL 7 HG13 VAL 7 -10.856 2.573 -0.193
44 HG21 VAL 7 HG21 VAL 7 -10.161 4.782 2.747
45 HG22 VAL 7 HG22 VAL 7 -11.733 4.077 2.376
46 HG23 VAL 7 HG23 VAL 7 -10.281 3.091 2.188
47 H GLY 8 H GLY 8 -7.485 4.955 2.036
48 HA2 GLY 8 HA2 GLY 8 -8.076 7.152 3.444
49 HA3 GLY 8 HA3 GLY 8 -6.433 6.570 3.196
50 H SER 9 H SER 9 -5.107 7.527 1.618
51 HA SER 9 HA SER 9 -6.015 9.976 0.228
52 HB2 SER 9 HB2 SER 9 -5.215 10.954 2.245
53 HB3 SER 9 HB3 SER 9 -3.779 9.931 2.270
54 HG SER 9 HG SER 9 -3.390 12.066 1.460
55 HA PRO 10 HA PRO 10 -2.460 7.883 -2.144
56 HB2 PRO 10 HB2 PRO 10 -0.677 6.239 -0.988
57 HB3 PRO 10 HB3 PRO 10 -0.480 8.022 -0.826
58 HG2 PRO 10 HG2 PRO 10 -1.759 6.078 1.097
59 HG3 PRO 10 HG3 PRO 10 -0.501 7.289 1.497
60 HD2 PRO 10 HD2 PRO 10 -3.198 7.727 1.890
61 HD3 PRO 10 HD3 PRO 10 -2.074 9.036 1.379
62 H GLU 11 H GLU 11 -2.159 5.519 -2.946
63 HA GLU 11 HA GLU 11 -4.411 3.838 -2.099
64 HB2 GLU 11 HB2 GLU 11 -2.343 3.591 -4.301
65 HB3 GLU 11 HB3 GLU 11 -3.410 2.273 -3.843
66 HG2 GLU 11 HG2 GLU 11 -4.587 3.263 -5.569
67 HG3 GLU 11 HG3 GLU 11 -5.397 3.840 -4.124
68 H CYS 12 H CYS 12 -1.105 2.654 -2.680
69 HA CYS 12 HA CYS 12 -1.502 0.979 -0.234
70 HB2 CYS 12 HB2 CYS 12 -2.212 -0.173 -2.160
71 HB3 CYS 12 HB3 CYS 12 -0.746 0.125 -3.027
72 HA PRO 13 HA PRO 13 3.079 0.371 -0.518
73 HB2 PRO 13 HB2 PRO 13 4.690 2.041 -2.119
74 HB3 PRO 13 HB3 PRO 13 4.185 0.368 -2.444
75 HG2 PRO 13 HG2 PRO 13 3.014 2.912 -3.521
76 HG3 PRO 13 HG3 PRO 13 3.164 1.311 -4.301
77 HD2 PRO 13 HD2 PRO 13 0.789 2.225 -3.256
78 HD3 PRO 13 HD3 PRO 13 1.258 0.513 -3.285
79 HA PRO 14 HA PRO 14 4.534 4.512 1.246
80 HB2 PRO 14 HB2 PRO 14 3.204 6.846 1.029
81 HB3 PRO 14 HB3 PRO 14 4.201 6.204 -0.315
82 HG2 PRO 14 HG2 PRO 14 1.219 5.870 0.108
83 HG3 PRO 14 HG3 PRO 14 2.037 6.506 -1.358
84 HD2 PRO 14 HD2 PRO 14 1.286 3.898 -1.181
85 HD3 PRO 14 HD3 PRO 14 2.843 4.356 -1.932
86 H LYS 15 H LYS 15 1.229 3.486 1.555
87 HA LYS 15 HA LYS 15 1.003 4.553 4.336
88 HB2 LYS 15 HB2 LYS 15 -0.844 4.671 2.458
89 HB3 LYS 15 HB3 LYS 15 -1.177 3.007 2.954
90 HG2 LYS 15 HG2 LYS 15 -1.325 3.973 5.364
91 HG3 LYS 15 HG3 LYS 15 -1.248 5.561 4.605
92 HD2 LYS 15 HD2 LYS 15 -3.496 3.529 4.438
93 HD3 LYS 15 HD3 LYS 15 -3.471 5.118 5.137
94 HE2 LYS 15 HE2 LYS 15 -4.551 5.673 3.261
95 HE3 LYS 15 HE3 LYS 15 -2.908 5.930 2.688
96 HZ1 LYS 15 HZ1 LYS 15 -4.645 3.579 2.173
97 HZ2 LYS 15 HZ2 LYS 15 -4.163 4.678 1.059
98 HZ3 LYS 15 HZ3 LYS 15 -3.085 3.638 1.652
99 H CYS 16 H CYS 16 2.000 1.771 2.730
100 HA CYS 16 HA CYS 16 1.003 -0.252 4.484
101 HB2 CYS 16 HB2 CYS 16 1.461 -0.444 2.095
102 HB3 CYS 16 HB3 CYS 16 3.180 -0.237 2.371
103 H ARG 17 H ARG 17 3.725 1.829 4.896
104 HA ARG 17 HA ARG 17 4.436 0.650 7.418
105 HB2 ARG 17 HB2 ARG 17 6.815 0.230 6.882
106 HB3 ARG 17 HB3 ARG 17 5.690 -0.851 6.068
107 HG2 ARG 17 HG2 ARG 17 6.053 0.107 3.947
108 HG3 ARG 17 HG3 ARG 17 6.845 1.536 4.637
109 HD2 ARG 17 HD2 ARG 17 8.459 -0.063 3.622
110 HD3 ARG 17 HD3 ARG 17 8.749 0.281 5.321
111 HE ARG 17 HE ARG 17 7.178 -2.169 4.791
112 HH11 ARG 17 HH11 ARG 17 10.446 -0.933 5.538
113 HH12 ARG 17 HH12 ARG 17 10.806 -2.447 6.335
114 HH21 ARG 17 HH21 ARG 17 8.029 -4.131 5.548
115 HH22 ARG 17 HH22 ARG 17 9.592 -4.069 6.328
116 H ALA 18 H ALA 18 6.536 1.873 8.233
117 HA ALA 18 HA ALA 18 5.735 4.387 8.874
118 HB1 ALA 18 HB1 ALA 18 8.027 4.696 9.733
119 HB2 ALA 18 HB2 ALA 18 7.442 3.057 10.040
120 HB3 ALA 18 HB3 ALA 18 8.601 3.355 8.728
121 H GLN 19 H GLN 19 8.104 3.802 6.236
122 HA GLN 19 HA GLN 19 7.772 6.638 5.348
123 HB2 GLN 19 HB2 GLN 19 10.045 6.349 4.317
124 HB3 GLN 19 HB3 GLN 19 9.869 6.695 6.028
125 HG2 GLN 19 HG2 GLN 19 11.615 5.047 5.525
126 HG3 GLN 19 HG3 GLN 19 10.420 4.460 6.673
127 HE21 GLN 19 HE22 GLN 19 11.480 4.192 3.249
128 HE22 GLN 19 HE21 GLN 19 10.590 2.691 2.965
129 H GLY 20 H GLY 20 7.993 3.305 4.139
130 HA2 GLY 20 HA2 GLY 20 6.026 3.323 2.324
131 HA3 GLY 20 HA3 GLY 20 7.301 4.148 1.414
132 H CYS 21 H CYS 21 5.847 1.531 1.194
133 HA CYS 21 HA CYS 21 7.630 -0.679 1.684
134 HB2 CYS 21 HB2 CYS 21 5.126 -0.701 1.543
135 HB3 CYS 21 HB3 CYS 21 5.266 -0.406 -0.191
136 H LYS 22 H LYS 22 8.409 -2.137 0.032
137 HA LYS 22 HA LYS 22 9.884 -1.002 -2.139
138 HB2 LYS 22 HB2 LYS 22 9.099 -3.887 -1.693
139 HB3 LYS 22 HB3 LYS 22 10.328 -3.300 -2.827
140 HG2 LYS 22 HG2 LYS 22 11.445 -2.220 -0.717
141 HG3 LYS 22 HG3 LYS 22 10.387 -3.310 0.202
142 HD2 LYS 22 HD2 LYS 22 11.361 -5.249 -1.019
143 HD3 LYS 22 HD3 LYS 22 12.426 -4.139 -1.885
144 HE2 LYS 22 HE2 LYS 22 13.780 -5.009 -0.181
145 HE3 LYS 22 HE3 LYS 22 13.320 -3.403 0.392
146 HZ1 LYS 22 HZ1 LYS 22 11.541 -4.574 1.721
147 HZ2 LYS 22 HZ2 LYS 22 12.177 -6.012 1.291
148 HZ3 LYS 22 HZ3 LYS 22 13.052 -4.943 2.183
149 H ASN 23 H ASN 23 6.899 -3.030 -2.388
150 HA ASN 23 HA ASN 23 5.785 -1.240 -4.344
151 HB2 ASN 23 HB2 ASN 23 7.443 -2.750 -5.687
152 HB3 ASN 23 HB3 ASN 23 6.272 -4.041 -5.425
153 HD21 ASN 23 HD22 ASN 23 6.934 -3.340 -8.008
154 HD22 ASN 23 HD21 ASN 23 5.512 -2.544 -8.702
155 H GLY 24 H GLY 24 3.590 -2.116 -5.096
156 HA2 GLY 24 HA2 GLY 24 2.181 -4.183 -3.767
157 HA3 GLY 24 HA3 GLY 24 1.935 -2.690 -2.850
158 H LYS 25 H LYS 25 -0.203 -3.948 -3.889
159 HA LYS 25 HA LYS 25 -1.349 -1.963 -5.764
160 HB2 LYS 25 HB2 LYS 25 -1.124 -4.955 -6.293
161 HB3 LYS 25 HB3 LYS 25 -2.485 -4.036 -6.913
162 HG2 LYS 25 HG2 LYS 25 -0.775 -2.400 -7.924
163 HG3 LYS 25 HG3 LYS 25 0.449 -3.639 -7.577
164 HD2 LYS 25 HD2 LYS 25 -0.803 -5.266 -8.962
165 HD3 LYS 25 HD3 LYS 25 -2.075 -4.057 -9.242
166 HE2 LYS 25 HE2 LYS 25 -0.310 -2.527 -10.210
167 HE3 LYS 25 HE3 LYS 25 0.838 -3.870 -10.113
168 HZ1 LYS 25 HZ1 LYS 25 -1.686 -3.840 -11.689
169 HZ2 LYS 25 HZ2 LYS 25 -0.163 -3.713 -12.298
170 HZ3 LYS 25 HZ3 LYS 25 -0.653 -5.123 -11.620
171 H CYS 26 H CYS 26 -3.754 -2.088 -5.849
172 HA CYS 26 HA CYS 26 -4.928 -3.289 -3.378
173 HB2 CYS 26 HB2 CYS 26 -5.909 -0.940 -5.022
174 HB3 CYS 26 HB3 CYS 26 -6.726 -1.628 -3.618
175 H MET 27 H MET 27 -6.881 -4.395 -3.417
176 HA MET 27 HA MET 27 -7.573 -5.592 -6.079
177 HB2 MET 27 HB2 MET 27 -8.058 -6.854 -3.371
178 HB3 MET 27 HB3 MET 27 -8.195 -7.590 -4.959
179 HG2 MET 27 HG2 MET 27 -5.633 -6.661 -3.604
180 HG3 MET 27 HG3 MET 27 -6.177 -8.320 -3.816
181 HE1 MET 27 HE1 MET 27 -3.200 -7.316 -4.660
182 HE2 MET 27 HE2 MET 27 -3.843 -8.974 -4.693
183 HE3 MET 27 HE3 MET 27 -3.060 -8.292 -6.134
184 H ASN 28 H ASN 28 -9.224 -4.775 -3.002
185 HA ASN 28 HA ASN 28 -11.683 -4.010 -4.537
186 HB2 ASN 28 HB2 ASN 28 -12.242 -6.066 -3.520
187 HB3 ASN 28 HB3 ASN 28 -11.366 -5.693 -2.050
188 HD21 ASN 28 HD22 ASN 28 -12.706 -5.304 -0.353
189 HD22 ASN 28 HD21 ASN 28 -14.249 -4.467 -0.464
190 H ARG 29 H ARG 29 -10.741 -3.633 -1.102
191 HA ARG 29 HA ARG 29 -10.288 -0.738 -1.575
192 HB2 ARG 29 HB2 ARG 29 -11.498 -0.048 0.416
193 HB3 ARG 29 HB3 ARG 29 -12.551 -0.732 -0.792
194 HG2 ARG 29 HG2 ARG 29 -12.785 -2.810 0.498
195 HG3 ARG 29 HG3 ARG 29 -11.491 -2.318 1.583
196 HD2 ARG 29 HD2 ARG 29 -13.481 -1.933 2.782
197 HD3 ARG 29 HD3 ARG 29 -12.914 -0.336 2.261
198 HE ARG 29 HE ARG 29 -14.799 -1.480 0.370
199 HH11 ARG 29 HH11 ARG 29 -14.688 0.279 3.424
200 HH12 ARG 29 HH12 ARG 29 -16.304 0.912 3.217
201 HH21 ARG 29 HH21 ARG 29 -16.935 -0.999 0.395
202 HH22 ARG 29 HH22 ARG 29 -17.593 0.103 1.567
203 H LYS 30 H LYS 30 -8.872 -3.459 -0.609
204 HA LYS 30 HA LYS 30 -7.136 -2.043 1.367
205 HB2 LYS 30 HB2 LYS 30 -7.913 -4.965 1.191
206 HB3 LYS 30 HB3 LYS 30 -6.458 -4.410 2.030
207 HG2 LYS 30 HG2 LYS 30 -7.853 -2.886 3.423
208 HG3 LYS 30 HG3 LYS 30 -9.311 -3.553 2.656
209 HD2 LYS 30 HD2 LYS 30 -8.803 -5.786 3.526
210 HD3 LYS 30 HD3 LYS 30 -7.207 -5.245 4.054
211 HE2 LYS 30 HE2 LYS 30 -8.858 -3.440 5.346
212 HE3 LYS 30 HE3 LYS 30 -9.853 -4.907 5.352
213 HZ1 LYS 30 HZ1 LYS 30 -7.839 -6.058 6.286
214 HZ2 LYS 30 HZ2 LYS 30 -7.103 -4.584 6.417
215 HZ3 LYS 30 HZ3 LYS 30 -8.450 -4.919 7.287
216 H CYS 31 H CYS 31 -5.035 -2.630 1.434
217 HA CYS 31 HA CYS 31 -3.698 -2.703 -1.223
218 HB2 CYS 31 HB2 CYS 31 -3.227 -0.756 0.031
219 HB3 CYS 31 HB3 CYS 31 -3.196 -1.655 1.524
220 H LYS 32 H LYS 32 -2.425 -4.353 -1.804
221 HA LYS 32 HA LYS 32 -1.450 -6.329 0.178
222 HB2 LYS 32 HB2 LYS 32 -3.097 -7.380 -1.197
223 HB3 LYS 32 HB3 LYS 32 -2.499 -6.598 -2.657
224 HG2 LYS 32 HG2 LYS 32 -1.919 -8.998 -2.561
225 HG3 LYS 32 HG3 LYS 32 -0.519 -7.933 -2.691
226 HD2 LYS 32 HD2 LYS 32 -0.266 -8.165 -0.128
227 HD3 LYS 32 HD3 LYS 32 -1.468 -9.469 -0.229
228 HE2 LYS 32 HE2 LYS 32 -0.056 -10.784 -1.593
229 HE3 LYS 32 HE3 LYS 32 0.897 -9.366 -2.097
230 HZ1 LYS 32 HZ1 LYS 32 1.926 -9.240 -0.034
231 HZ2 LYS 32 HZ2 LYS 32 0.911 -10.315 0.704
232 HZ3 LYS 32 HZ3 LYS 32 2.028 -10.828 -0.401
233 H CYS 33 H CYS 33 0.494 -5.618 0.614
234 HA CYS 33 HA CYS 33 2.339 -4.486 -1.340
235 HB2 CYS 33 HB2 CYS 33 2.490 -5.230 1.583
236 HB3 CYS 33 HB3 CYS 33 3.884 -4.628 0.688
237 H TYR 34 H TYR 34 4.246 -5.358 -2.078
238 HA TYR 34 HA TYR 34 4.050 -8.263 -2.595
239 HB2 TYR 34 HB2 TYR 34 5.636 -6.017 -3.884
240 HB3 TYR 34 HB3 TYR 34 5.760 -7.707 -4.335
241 HD1 TYR 34 HD1 TYR 34 2.243 -6.952 -3.719
242 HD2 TYR 34 HD2 TYR 34 5.479 -6.561 -6.554
243 HE1 TYR 34 HE1 TYR 34 0.608 -6.744 -5.573
244 HE2 TYR 34 HE2 TYR 34 3.838 -6.380 -8.393
245 HH TYR 34 HH TYR 34 1.664 -6.546 -8.990
246 H TYR 35 H TYR 35 6.644 -5.974 -1.652
247 HA TYR 35 HA TYR 35 8.304 -8.307 -0.763
248 HB2 TYR 35 HB2 TYR 35 9.441 -5.942 -2.226
249 HB3 TYR 35 HB3 TYR 35 10.203 -7.481 -1.876
250 HD1 TYR 35 HD2 TYR 35 8.772 -9.583 -2.882
251 HD2 TYR 35 HD1 TYR 35 8.862 -5.577 -4.465
252 HE1 TYR 35 HE2 TYR 35 8.007 -10.437 -5.096
253 HE2 TYR 35 HE1 TYR 35 8.118 -6.429 -6.674
254 HH TYR 35 HH TYR 35 7.451 -8.226 -7.865
255 H CYS 36 H CYS 36 6.745 -6.316 0.956
256 HA CYS 36 HA CYS 36 8.979 -5.698 2.786
257 HB2 CYS 36 HB2 CYS 36 8.384 -3.513 2.916
258 HB3 CYS 36 HB3 CYS 36 8.244 -3.787 1.216
Start of MODEL 15
1 H1 ALA 1 H1 ALA 1 3.519 -7.012 5.105
2 H2 ALA 1 H2 ALA 1 3.183 -6.243 6.512
3 H3 ALA 1 H3 ALA 1 3.436 -5.388 5.116
4 HA ALA 1 HA ALA 1 1.400 -5.934 4.209
5 HB1 ALA 1 HB1 ALA 1 1.692 -8.355 4.524
6 HB2 ALA 1 HB2 ALA 1 1.313 -8.193 6.246
7 HB3 ALA 1 HB3 ALA 1 0.070 -7.849 5.035
8 H ALA 2 H ALA 2 -0.638 -4.855 4.872
9 HA ALA 2 HA ALA 2 -1.027 -4.350 7.708
10 HB1 ALA 2 HB1 ALA 2 -0.559 -2.037 5.769
11 HB2 ALA 2 HB2 ALA 2 -1.049 -1.904 7.474
12 HB3 ALA 2 HB3 ALA 2 0.565 -2.519 7.063
13 H ALA 3 H ALA 3 -3.174 -4.272 8.078
14 HA ALA 3 HA ALA 3 -4.979 -4.586 5.759
15 HB1 ALA 3 HB1 ALA 3 -6.602 -5.183 7.428
16 HB2 ALA 3 HB2 ALA 3 -5.108 -6.158 7.549
17 HB3 ALA 3 HB3 ALA 3 -5.412 -4.838 8.716
18 H ILE 4 H ILE 4 -5.192 -2.636 4.837
19 HA ILE 4 HA ILE 4 -6.295 -0.359 6.450
20 HB ILE 4 HB ILE 4 -4.850 1.094 5.054
21 HG12 ILE 4 HG12 ILE 4 -3.494 -1.473 4.103
22 HG13 ILE 4 HG13 ILE 4 -4.642 -0.568 3.121
23 HG21 ILE 4 HG21 ILE 4 -4.136 0.234 7.322
24 HG22 ILE 4 HG22 ILE 4 -3.170 -1.001 6.481
25 HG23 ILE 4 HG23 ILE 4 -2.812 0.727 6.281
26 HD11 ILE 4 HD11 ILE 4 -3.236 1.369 3.076
27 HD12 ILE 4 HD12 ILE 4 -2.085 0.575 4.214
28 HD13 ILE 4 HD13 ILE 4 -2.300 -0.070 2.599
29 H SER 5 H SER 5 -7.096 1.422 4.925
30 HA SER 5 HA SER 5 -8.718 0.223 2.744
31 HB2 SER 5 HB2 SER 5 -9.819 1.937 4.104
32 HB3 SER 5 HB3 SER 5 -8.571 3.112 3.595
33 HG SER 5 HG SER 5 -10.696 2.860 2.375
34 H CYS 6 H CYS 6 -7.949 0.150 0.777
35 HA CYS 6 HA CYS 6 -5.564 1.410 -0.237
36 HB2 CYS 6 HB2 CYS 6 -6.781 -0.414 -1.359
37 HB3 CYS 6 HB3 CYS 6 -8.147 0.695 -1.610
38 H VAL 7 H VAL 7 -8.916 2.625 0.115
39 HA VAL 7 HA VAL 7 -8.708 4.877 -1.644
40 HB VAL 7 HB VAL 7 -10.533 4.610 0.777
41 HG11 VAL 7 HG11 VAL 7 -10.792 6.178 -1.825
42 HG12 VAL 7 HG12 VAL 7 -12.028 6.063 -0.552
43 HG13 VAL 7 HG13 VAL 7 -10.495 6.866 -0.209
44 HG21 VAL 7 HG21 VAL 7 -10.958 3.629 -2.086
45 HG22 VAL 7 HG22 VAL 7 -10.843 2.611 -0.632
46 HG23 VAL 7 HG23 VAL 7 -12.210 3.703 -0.825
47 H GLY 8 H GLY 8 -8.497 4.623 1.885
48 HA2 GLY 8 HA2 GLY 8 -7.778 6.244 3.501
49 HA3 GLY 8 HA3 GLY 8 -6.296 5.733 2.679
50 H SER 9 H SER 9 -5.042 7.079 1.789
51 HA SER 9 HA SER 9 -6.097 9.582 0.617
52 HB2 SER 9 HB2 SER 9 -5.439 10.366 2.744
53 HB3 SER 9 HB3 SER 9 -3.878 9.576 2.676
54 HG SER 9 HG SER 9 -3.263 11.014 1.006
55 HA PRO 10 HA PRO 10 -2.360 7.985 -1.861
56 HB2 PRO 10 HB2 PRO 10 -0.426 6.464 -0.823
57 HB3 PRO 10 HB3 PRO 10 -0.432 8.228 -0.468
58 HG2 PRO 10 HG2 PRO 10 -1.557 5.964 1.213
59 HG3 PRO 10 HG3 PRO 10 -0.411 7.224 1.766
60 HD2 PRO 10 HD2 PRO 10 -3.131 7.423 2.125
61 HD3 PRO 10 HD3 PRO 10 -2.111 8.860 1.756
62 H GLU 11 H GLU 11 -1.828 5.663 -2.813
63 HA GLU 11 HA GLU 11 -4.169 4.011 -2.351
64 HB2 GLU 11 HB2 GLU 11 -1.913 3.475 -4.294
65 HB3 GLU 11 HB3 GLU 11 -3.496 2.688 -4.208
66 HG2 GLU 11 HG2 GLU 11 -4.522 5.034 -4.447
67 HG3 GLU 11 HG3 GLU 11 -2.909 5.595 -4.892
68 H CYS 12 H CYS 12 -0.736 2.829 -2.364
69 HA CYS 12 HA CYS 12 -1.518 1.035 -0.107
70 HB2 CYS 12 HB2 CYS 12 -2.341 -0.107 -1.983
71 HB3 CYS 12 HB3 CYS 12 -0.871 0.103 -2.892
72 HA PRO 13 HA PRO 13 3.093 0.065 -0.379
73 HB2 PRO 13 HB2 PRO 13 4.727 1.805 -1.923
74 HB3 PRO 13 HB3 PRO 13 4.279 0.114 -2.258
75 HG2 PRO 13 HG2 PRO 13 3.059 2.639 -3.338
76 HG3 PRO 13 HG3 PRO 13 3.256 1.058 -4.140
77 HD2 PRO 13 HD2 PRO 13 0.856 1.880 -3.152
78 HD3 PRO 13 HD3 PRO 13 1.355 0.184 -3.090
79 HA PRO 14 HA PRO 14 4.501 4.172 1.564
80 HB2 PRO 14 HB2 PRO 14 3.153 6.496 1.348
81 HB3 PRO 14 HB3 PRO 14 4.245 5.913 0.054
82 HG2 PRO 14 HG2 PRO 14 1.244 5.545 0.257
83 HG3 PRO 14 HG3 PRO 14 2.161 6.225 -1.135
84 HD2 PRO 14 HD2 PRO 14 1.400 3.612 -1.034
85 HD3 PRO 14 HD3 PRO 14 2.983 4.097 -1.722
86 H LYS 15 H LYS 15 1.206 3.084 1.617
87 HA LYS 15 HA LYS 15 0.746 4.106 4.374
88 HB2 LYS 15 HB2 LYS 15 -0.978 4.295 2.522
89 HB3 LYS 15 HB3 LYS 15 -1.251 2.559 2.722
90 HG2 LYS 15 HG2 LYS 15 -1.738 3.019 5.183
91 HG3 LYS 15 HG3 LYS 15 -1.457 4.725 4.863
92 HD2 LYS 15 HD2 LYS 15 -3.865 3.066 4.189
93 HD3 LYS 15 HD3 LYS 15 -3.716 4.606 4.963
94 HE2 LYS 15 HE2 LYS 15 -4.497 5.387 3.032
95 HE3 LYS 15 HE3 LYS 15 -2.804 5.391 2.587
96 HZ1 LYS 15 HZ1 LYS 15 -4.168 4.347 0.855
97 HZ2 LYS 15 HZ2 LYS 15 -3.203 3.212 1.448
98 HZ3 LYS 15 HZ3 LYS 15 -4.786 3.258 1.909
99 H CYS 16 H CYS 16 1.681 1.178 2.721
100 HA CYS 16 HA CYS 16 0.953 -0.632 4.826
101 HB2 CYS 16 HB2 CYS 16 1.304 -1.147 2.393
102 HB3 CYS 16 HB3 CYS 16 3.049 -1.085 2.674
103 H ARG 17 H ARG 17 3.641 1.524 4.632
104 HA ARG 17 HA ARG 17 4.344 0.998 7.341
105 HB2 ARG 17 HB2 ARG 17 6.719 0.558 7.035
106 HB3 ARG 17 HB3 ARG 17 5.721 -0.746 6.387
107 HG2 ARG 17 HG2 ARG 17 6.093 0.122 4.081
108 HG3 ARG 17 HG3 ARG 17 7.057 1.450 4.748
109 HD2 ARG 17 HD2 ARG 17 8.489 -0.242 3.877
110 HD3 ARG 17 HD3 ARG 17 8.706 -0.123 5.625
111 HE ARG 17 HE ARG 17 6.762 -2.112 5.261
112 HH11 ARG 17 HH11 ARG 17 10.097 -1.865 4.182
113 HH12 ARG 17 HH12 ARG 17 10.313 -3.600 4.255
114 HH21 ARG 17 HH21 ARG 17 7.267 -4.161 5.705
115 HH22 ARG 17 HH22 ARG 17 8.598 -4.898 4.845
116 H ALA 18 H ALA 18 5.983 2.503 8.099
117 HA ALA 18 HA ALA 18 5.084 5.096 7.579
118 HB1 ALA 18 HB1 ALA 18 7.631 4.105 8.937
119 HB2 ALA 18 HB2 ALA 18 6.955 5.746 9.113
120 HB3 ALA 18 HB3 ALA 18 6.042 4.336 9.692
121 H GLN 19 H GLN 19 8.198 3.714 6.603
122 HA GLN 19 HA GLN 19 8.974 6.032 4.948
123 HB2 GLN 19 HB2 GLN 19 11.126 4.985 4.827
124 HB3 GLN 19 HB3 GLN 19 10.593 5.196 6.489
125 HG2 GLN 19 HG2 GLN 19 10.250 2.550 5.010
126 HG3 GLN 19 HG3 GLN 19 11.726 3.021 5.833
127 HE21 GLN 19 HE22 GLN 19 11.572 3.484 8.265
128 HE22 GLN 19 HE21 GLN 19 10.251 2.749 9.140
129 H GLY 20 H GLY 20 6.984 3.682 4.297
130 HA2 GLY 20 HA2 GLY 20 6.011 2.955 2.406
131 HA3 GLY 20 HA3 GLY 20 7.169 3.868 1.433
132 H CYS 21 H CYS 21 5.859 1.122 1.403
133 HA CYS 21 HA CYS 21 7.990 -0.854 1.312
134 HB2 CYS 21 HB2 CYS 21 5.134 -0.671 0.470
135 HB3 CYS 21 HB3 CYS 21 6.123 -1.863 -0.334
136 H LYS 22 H LYS 22 8.989 -1.683 -0.489
137 HA LYS 22 HA LYS 22 9.902 0.033 -2.529
138 HB2 LYS 22 HB2 LYS 22 9.695 -3.000 -2.725
139 HB3 LYS 22 HB3 LYS 22 10.767 -1.953 -3.660
140 HG2 LYS 22 HG2 LYS 22 11.954 -1.296 -1.566
141 HG3 LYS 22 HG3 LYS 22 10.865 -2.371 -0.653
142 HD2 LYS 22 HD2 LYS 22 11.614 -4.266 -2.086
143 HD3 LYS 22 HD3 LYS 22 12.817 -3.199 -2.809
144 HE2 LYS 22 HE2 LYS 22 13.806 -4.649 -1.112
145 HE3 LYS 22 HE3 LYS 22 13.951 -2.947 -0.659
146 HZ1 LYS 22 HZ1 LYS 22 11.830 -4.734 0.391
147 HZ2 LYS 22 HZ2 LYS 22 13.259 -4.446 1.168
148 HZ3 LYS 22 HZ3 LYS 22 12.252 -3.191 0.912
149 H ASN 23 H ASN 23 7.183 -2.247 -2.705
150 HA ASN 23 HA ASN 23 5.757 -0.526 -4.462
151 HB2 ASN 23 HB2 ASN 23 7.336 -1.967 -6.033
152 HB3 ASN 23 HB3 ASN 23 6.196 -3.261 -5.716
153 HD21 ASN 23 HD22 ASN 23 6.530 -2.418 -8.287
154 HD22 ASN 23 HD21 ASN 23 5.092 -1.533 -8.784
155 H GLY 24 H GLY 24 3.566 -1.483 -5.002
156 HA2 GLY 24 HA2 GLY 24 2.556 -3.760 -3.521
157 HA3 GLY 24 HA3 GLY 24 2.016 -2.226 -2.820
158 H LYS 25 H LYS 25 0.005 -3.650 -3.600
159 HA LYS 25 HA LYS 25 -0.980 -2.307 -6.058
160 HB2 LYS 25 HB2 LYS 25 -0.011 -4.666 -6.502
161 HB3 LYS 25 HB3 LYS 25 -1.452 -5.288 -5.696
162 HG2 LYS 25 HG2 LYS 25 -2.867 -4.114 -7.364
163 HG3 LYS 25 HG3 LYS 25 -1.405 -3.389 -8.075
164 HD2 LYS 25 HD2 LYS 25 -0.566 -5.637 -8.651
165 HD3 LYS 25 HD3 LYS 25 -2.057 -6.367 -8.034
166 HE2 LYS 25 HE2 LYS 25 -1.891 -4.334 -10.311
167 HE3 LYS 25 HE3 LYS 25 -1.876 -6.082 -10.544
168 HZ1 LYS 25 HZ1 LYS 25 -4.081 -6.139 -9.440
169 HZ2 LYS 25 HZ2 LYS 25 -4.114 -4.493 -9.428
170 HZ3 LYS 25 HZ3 LYS 25 -4.068 -5.309 -10.856
171 H CYS 26 H CYS 26 -3.100 -1.822 -6.113
172 HA CYS 26 HA CYS 26 -4.600 -1.994 -3.599
173 HB2 CYS 26 HB2 CYS 26 -4.463 0.053 -4.968
174 HB3 CYS 26 HB3 CYS 26 -5.300 -0.785 -6.271
175 H MET 27 H MET 27 -6.010 -3.426 -3.110
176 HA MET 27 HA MET 27 -7.146 -5.449 -4.960
177 HB2 MET 27 HB2 MET 27 -7.362 -5.084 -1.955
178 HB3 MET 27 HB3 MET 27 -7.815 -6.523 -2.847
179 HG2 MET 27 HG2 MET 27 -5.511 -7.066 -3.316
180 HG3 MET 27 HG3 MET 27 -4.951 -5.490 -2.737
181 HE1 MET 27 HE1 MET 27 -6.366 -8.953 -0.019
182 HE2 MET 27 HE2 MET 27 -7.526 -8.111 -1.066
183 HE3 MET 27 HE3 MET 27 -6.191 -9.036 -1.784
184 H ASN 28 H ASN 28 -9.612 -5.861 -3.645
185 HA ASN 28 HA ASN 28 -11.254 -3.558 -4.387
186 HB2 ASN 28 HB2 ASN 28 -11.932 -5.983 -4.636
187 HB3 ASN 28 HB3 ASN 28 -12.079 -6.068 -2.878
188 HD21 ASN 28 HD22 ASN 28 -14.263 -6.628 -4.370
189 HD22 ASN 28 HD21 ASN 28 -15.407 -5.279 -4.373
190 H ARG 29 H ARG 29 -10.865 -1.867 -3.238
191 HA ARG 29 HA ARG 29 -9.942 -0.548 -1.751
192 HB2 ARG 29 HB2 ARG 29 -11.530 -0.008 0.153
193 HB3 ARG 29 HB3 ARG 29 -12.135 0.017 -1.493
194 HG2 ARG 29 HG2 ARG 29 -13.291 -2.065 -1.248
195 HG3 ARG 29 HG3 ARG 29 -12.569 -2.368 0.345
196 HD2 ARG 29 HD2 ARG 29 -13.804 -0.636 1.374
197 HD3 ARG 29 HD3 ARG 29 -14.143 0.158 -0.174
198 HE ARG 29 HE ARG 29 -15.451 -2.101 -0.632
199 HH11 ARG 29 HH11 ARG 29 -15.545 -0.505 2.528
200 HH12 ARG 29 HH12 ARG 29 -17.289 -0.782 2.614
201 HH21 ARG 29 HH21 ARG 29 -17.660 -2.240 -0.386
202 HH22 ARG 29 HH22 ARG 29 -18.337 -1.746 1.171
203 H LYS 30 H LYS 30 -8.595 -3.071 -1.366
204 HA LYS 30 HA LYS 30 -7.375 -2.456 1.314
205 HB2 LYS 30 HB2 LYS 30 -8.031 -5.201 0.180
206 HB3 LYS 30 HB3 LYS 30 -6.924 -4.931 1.532
207 HG2 LYS 30 HG2 LYS 30 -8.713 -3.814 2.808
208 HG3 LYS 30 HG3 LYS 30 -9.851 -4.076 1.471
209 HD2 LYS 30 HD2 LYS 30 -9.609 -6.508 1.696
210 HD3 LYS 30 HD3 LYS 30 -8.418 -6.286 2.998
211 HE2 LYS 30 HE2 LYS 30 -10.122 -5.051 4.329
212 HE3 LYS 30 HE3 LYS 30 -11.296 -5.276 3.021
213 HZ1 LYS 30 HZ1 LYS 30 -10.114 -7.414 4.714
214 HZ2 LYS 30 HZ2 LYS 30 -11.663 -6.929 4.661
215 HZ3 LYS 30 HZ3 LYS 30 -10.995 -7.718 3.358
216 H CYS 31 H CYS 31 -5.106 -3.541 1.503
217 HA CYS 31 HA CYS 31 -3.615 -2.897 -1.034
218 HB2 CYS 31 HB2 CYS 31 -3.425 -1.139 0.545
219 HB3 CYS 31 HB3 CYS 31 -3.114 -2.267 1.861
220 H LYS 32 H LYS 32 -2.196 -4.249 -1.829
221 HA LYS 32 HA LYS 32 -1.194 -6.567 -0.233
222 HB2 LYS 32 HB2 LYS 32 -2.510 -7.070 -2.338
223 HB3 LYS 32 HB3 LYS 32 -1.313 -6.157 -3.257
224 HG2 LYS 32 HG2 LYS 32 -0.715 -8.442 -3.510
225 HG3 LYS 32 HG3 LYS 32 0.462 -7.765 -2.391
226 HD2 LYS 32 HD2 LYS 32 -1.513 -8.684 -0.644
227 HD3 LYS 32 HD3 LYS 32 -1.645 -9.831 -1.977
228 HE2 LYS 32 HE2 LYS 32 0.891 -10.143 -1.801
229 HE3 LYS 32 HE3 LYS 32 0.833 -9.133 -0.343
230 HZ1 LYS 32 HZ1 LYS 32 0.723 -11.479 0.205
231 HZ2 LYS 32 HZ2 LYS 32 -0.730 -10.775 0.603
232 HZ3 LYS 32 HZ3 LYS 32 -0.557 -11.703 -0.771
233 H CYS 33 H CYS 33 0.892 -6.526 0.378
234 HA CYS 33 HA CYS 33 2.679 -4.420 -0.767
235 HB2 CYS 33 HB2 CYS 33 2.954 -5.760 1.923
236 HB3 CYS 33 HB3 CYS 33 3.629 -4.229 1.364
237 H TYR 34 H TYR 34 4.128 -5.208 -2.201
238 HA TYR 34 HA TYR 34 4.509 -8.066 -2.365
239 HB2 TYR 34 HB2 TYR 34 5.512 -5.796 -4.098
240 HB3 TYR 34 HB3 TYR 34 5.810 -7.496 -4.427
241 HD1 TYR 34 HD1 TYR 34 3.404 -8.942 -4.028
242 HD2 TYR 34 HD2 TYR 34 3.974 -5.000 -5.722
243 HE1 TYR 34 HE1 TYR 34 1.323 -9.206 -5.354
244 HE2 TYR 34 HE2 TYR 34 1.969 -5.340 -7.132
245 HH TYR 34 HH TYR 34 -0.095 -8.267 -6.882
246 H TYR 35 H TYR 35 7.238 -5.870 -2.858
247 HA TYR 35 HA TYR 35 8.987 -8.040 -1.997
248 HB2 TYR 35 HB2 TYR 35 9.807 -5.413 -3.220
249 HB3 TYR 35 HB3 TYR 35 10.619 -6.975 -3.335
250 HD1 TYR 35 HD2 TYR 35 8.860 -8.880 -4.425
251 HD2 TYR 35 HD1 TYR 35 8.883 -4.627 -5.167
252 HE1 TYR 35 HE2 TYR 35 7.552 -9.232 -6.515
253 HE2 TYR 35 HE1 TYR 35 7.576 -4.989 -7.256
254 HH TYR 35 HH TYR 35 6.448 -8.220 -8.274
255 H CYS 36 H CYS 36 7.666 -6.688 0.205
256 HA CYS 36 HA CYS 36 9.927 -5.439 1.632
257 HB2 CYS 36 HB2 CYS 36 8.545 -3.546 2.037
258 HB3 CYS 36 HB3 CYS 36 8.664 -3.784 0.337
Start of MODEL 16
1 H1 ALA 1 H1 ALA 1 3.276 -7.325 3.333
2 H2 ALA 1 H2 ALA 1 4.446 -6.811 4.362
3 H3 ALA 1 H3 ALA 1 4.117 -5.936 3.022
4 HA ALA 1 HA ALA 1 2.445 -6.312 5.407
5 HB1 ALA 1 HB1 ALA 1 4.190 -4.578 5.569
6 HB2 ALA 1 HB2 ALA 1 3.488 -3.774 4.147
7 HB3 ALA 1 HB3 ALA 1 2.553 -3.902 5.652
8 H ALA 2 H ALA 2 0.336 -5.314 5.433
9 HA ALA 2 HA ALA 2 -0.941 -4.749 2.875
10 HB1 ALA 2 HB1 ALA 2 -0.785 -7.283 3.049
11 HB2 ALA 2 HB2 ALA 2 -1.750 -7.198 4.531
12 HB3 ALA 2 HB3 ALA 2 -2.438 -6.680 2.972
13 H ALA 3 H ALA 3 -3.569 -5.530 4.285
14 HA ALA 3 HA ALA 3 -5.093 -4.815 5.737
15 HB1 ALA 3 HB1 ALA 3 -2.738 -4.125 7.511
16 HB2 ALA 3 HB2 ALA 3 -4.373 -4.585 8.032
17 HB3 ALA 3 HB3 ALA 3 -3.329 -5.787 7.237
18 H ILE 4 H ILE 4 -3.492 -2.451 4.254
19 HA ILE 4 HA ILE 4 -4.367 -0.175 5.901
20 HB ILE 4 HB ILE 4 -3.345 1.183 4.153
21 HG12 ILE 4 HG12 ILE 4 -2.508 -1.407 2.770
22 HG13 ILE 4 HG13 ILE 4 -3.883 -0.439 2.231
23 HG21 ILE 4 HG21 ILE 4 -1.084 0.688 4.653
24 HG22 ILE 4 HG22 ILE 4 -2.030 0.212 6.065
25 HG23 ILE 4 HG23 ILE 4 -1.435 -1.023 4.933
26 HD11 ILE 4 HD11 ILE 4 -2.462 1.493 1.823
27 HD12 ILE 4 HD12 ILE 4 -1.042 0.555 2.411
28 HD13 ILE 4 HD13 ILE 4 -1.893 0.057 0.945
29 H SER 5 H SER 5 -5.464 1.635 4.879
30 HA SER 5 HA SER 5 -7.795 0.846 3.275
31 HB2 SER 5 HB2 SER 5 -8.448 3.218 3.467
32 HB3 SER 5 HB3 SER 5 -8.221 2.394 5.013
33 HG SER 5 HG SER 5 -7.252 4.330 5.201
34 H CYS 6 H CYS 6 -7.306 0.344 1.222
35 HA CYS 6 HA CYS 6 -5.435 1.536 -0.554
36 HB2 CYS 6 HB2 CYS 6 -6.666 -0.529 -0.975
37 HB3 CYS 6 HB3 CYS 6 -8.186 0.363 -1.019
38 H VAL 7 H VAL 7 -8.635 2.809 0.486
39 HA VAL 7 HA VAL 7 -8.616 4.953 -1.509
40 HB VAL 7 HB VAL 7 -10.568 5.784 -0.498
41 HG11 VAL 7 HG11 VAL 7 -10.769 2.766 -0.335
42 HG12 VAL 7 HG12 VAL 7 -12.077 3.927 -0.609
43 HG13 VAL 7 HG13 VAL 7 -10.807 3.732 -1.826
44 HG21 VAL 7 HG21 VAL 7 -9.998 4.100 1.952
45 HG22 VAL 7 HG22 VAL 7 -10.197 5.853 1.845
46 HG23 VAL 7 HG23 VAL 7 -11.583 4.796 1.586
47 H GLY 8 H GLY 8 -7.072 4.633 1.509
48 HA2 GLY 8 HA2 GLY 8 -7.381 6.706 3.086
49 HA3 GLY 8 HA3 GLY 8 -5.770 6.128 2.660
50 H SER 9 H SER 9 -4.642 7.135 0.843
51 HA SER 9 HA SER 9 -5.620 9.665 -0.216
52 HB2 SER 9 HB2 SER 9 -3.610 9.688 2.016
53 HB3 SER 9 HB3 SER 9 -3.494 10.906 0.715
54 HG SER 9 HG SER 9 -5.950 10.371 1.962
55 HA PRO 10 HA PRO 10 -1.687 8.238 -2.507
56 HB2 PRO 10 HB2 PRO 10 0.127 6.581 -1.400
57 HB3 PRO 10 HB3 PRO 10 0.167 8.341 -1.009
58 HG2 PRO 10 HG2 PRO 10 -1.131 6.092 0.543
59 HG3 PRO 10 HG3 PRO 10 0.021 7.298 1.200
60 HD2 PRO 10 HD2 PRO 10 -2.687 7.611 1.429
61 HD3 PRO 10 HD3 PRO 10 -1.615 9.014 1.109
62 H GLU 11 H GLU 11 -1.078 5.944 -3.446
63 HA GLU 11 HA GLU 11 -3.321 4.096 -3.260
64 HB2 GLU 11 HB2 GLU 11 -0.589 3.699 -4.522
65 HB3 GLU 11 HB3 GLU 11 -2.002 2.650 -4.711
66 HG2 GLU 11 HG2 GLU 11 -3.236 4.477 -5.818
67 HG3 GLU 11 HG3 GLU 11 -1.845 5.545 -5.634
68 H CYS 12 H CYS 12 -0.013 2.848 -2.850
69 HA CYS 12 HA CYS 12 -0.821 1.691 -0.229
70 HB2 CYS 12 HB2 CYS 12 -0.036 0.010 -2.624
71 HB3 CYS 12 HB3 CYS 12 -0.356 -0.550 -0.995
72 HA PRO 13 HA PRO 13 3.925 0.550 -0.685
73 HB2 PRO 13 HB2 PRO 13 4.948 2.848 -2.274
74 HB3 PRO 13 HB3 PRO 13 5.374 1.129 -2.351
75 HG2 PRO 13 HG2 PRO 13 3.737 2.497 -4.163
76 HG3 PRO 13 HG3 PRO 13 3.823 0.734 -3.978
77 HD2 PRO 13 HD2 PRO 13 1.640 2.459 -3.243
78 HD3 PRO 13 HD3 PRO 13 1.738 0.697 -3.262
79 HA PRO 14 HA PRO 14 5.039 4.625 1.470
80 HB2 PRO 14 HB2 PRO 14 3.658 6.927 1.263
81 HB3 PRO 14 HB3 PRO 14 4.788 6.388 -0.017
82 HG2 PRO 14 HG2 PRO 14 1.789 5.976 0.100
83 HG3 PRO 14 HG3 PRO 14 2.735 6.683 -1.254
84 HD2 PRO 14 HD2 PRO 14 1.993 4.070 -1.215
85 HD3 PRO 14 HD3 PRO 14 3.585 4.578 -1.862
86 H LYS 15 H LYS 15 1.857 3.373 1.441
87 HA LYS 15 HA LYS 15 1.150 4.429 4.136
88 HB2 LYS 15 HB2 LYS 15 -0.384 4.587 2.094
89 HB3 LYS 15 HB3 LYS 15 -0.665 2.865 2.300
90 HG2 LYS 15 HG2 LYS 15 -1.366 3.396 4.716
91 HG3 LYS 15 HG3 LYS 15 -1.213 5.108 4.301
92 HD2 LYS 15 HD2 LYS 15 -3.201 3.121 3.134
93 HD3 LYS 15 HD3 LYS 15 -3.529 4.434 4.248
94 HE2 LYS 15 HE2 LYS 15 -3.887 5.809 2.569
95 HE3 LYS 15 HE3 LYS 15 -2.215 5.660 2.080
96 HZ1 LYS 15 HZ1 LYS 15 -3.732 5.040 0.238
97 HZ2 LYS 15 HZ2 LYS 15 -2.884 3.755 0.638
98 HZ3 LYS 15 HZ3 LYS 15 -4.428 3.884 1.180
99 H CYS 16 H CYS 16 2.014 1.438 2.482
100 HA CYS 16 HA CYS 16 1.120 -0.510 4.266
101 HB2 CYS 16 HB2 CYS 16 3.465 -0.318 2.367
102 HB3 CYS 16 HB3 CYS 16 3.268 -1.733 3.377
103 H ARG 17 H ARG 17 3.859 1.656 4.795
104 HA ARG 17 HA ARG 17 3.884 0.893 7.595
105 HB2 ARG 17 HB2 ARG 17 6.239 0.534 7.812
106 HB3 ARG 17 HB3 ARG 17 5.624 -0.598 6.594
107 HG2 ARG 17 HG2 ARG 17 6.418 1.026 4.809
108 HG3 ARG 17 HG3 ARG 17 7.191 1.967 6.085
109 HD2 ARG 17 HD2 ARG 17 7.803 -0.884 5.277
110 HD3 ARG 17 HD3 ARG 17 8.809 0.556 5.036
111 HE ARG 17 HE ARG 17 8.140 -0.125 7.831
112 HH11 ARG 17 HH11 ARG 17 10.791 -0.160 5.458
113 HH12 ARG 17 HH12 ARG 17 11.815 -0.970 6.633
114 HH21 ARG 17 HH21 ARG 17 9.578 -0.866 9.168
115 HH22 ARG 17 HH22 ARG 17 11.242 -1.174 8.660
116 H ALA 18 H ALA 18 5.294 2.366 8.868
117 HA ALA 18 HA ALA 18 4.275 4.977 8.624
118 HB1 ALA 18 HB1 ALA 18 4.918 3.774 10.699
119 HB2 ALA 18 HB2 ALA 18 6.628 3.900 10.247
120 HB3 ALA 18 HB3 ALA 18 5.692 5.371 10.615
121 H GLN 19 H GLN 19 7.281 3.765 7.379
122 HA GLN 19 HA GLN 19 8.193 6.460 6.479
123 HB2 GLN 19 HB2 GLN 19 10.428 5.538 6.463
124 HB3 GLN 19 HB3 GLN 19 9.704 5.536 8.061
125 HG2 GLN 19 HG2 GLN 19 9.595 3.047 6.305
126 HG3 GLN 19 HG3 GLN 19 11.021 3.484 7.219
127 HE21 GLN 19 HE22 GLN 19 10.953 3.395 9.602
128 HE22 GLN 19 HE21 GLN 19 9.647 2.466 10.363
129 H GLY 20 H GLY 20 6.450 4.119 5.237
130 HA2 GLY 20 HA2 GLY 20 5.947 3.323 3.177
131 HA3 GLY 20 HA3 GLY 20 7.031 4.536 2.467
132 H CYS 21 H CYS 21 6.602 1.986 1.382
133 HA CYS 21 HA CYS 21 9.344 0.899 1.363
134 HB2 CYS 21 HB2 CYS 21 7.590 -0.183 3.181
135 HB3 CYS 21 HB3 CYS 21 7.272 -1.183 1.792
136 H LYS 22 H LYS 22 8.786 -1.490 0.083
137 HA LYS 22 HA LYS 22 8.622 -0.584 -2.623
138 HB2 LYS 22 HB2 LYS 22 8.587 -3.461 -1.674
139 HB3 LYS 22 HB3 LYS 22 9.088 -2.842 -3.258
140 HG2 LYS 22 HG2 LYS 22 10.942 -1.551 -1.998
141 HG3 LYS 22 HG3 LYS 22 10.530 -2.566 -0.606
142 HD2 LYS 22 HD2 LYS 22 10.795 -4.550 -2.367
143 HD3 LYS 22 HD3 LYS 22 11.673 -3.352 -3.300
144 HE2 LYS 22 HE2 LYS 22 13.271 -4.613 -2.076
145 HE3 LYS 22 HE3 LYS 22 13.194 -3.034 -1.290
146 HZ1 LYS 22 HZ1 LYS 22 11.872 -3.990 0.457
147 HZ2 LYS 22 HZ2 LYS 22 11.701 -5.430 -0.322
148 HZ3 LYS 22 HZ3 LYS 22 13.173 -4.948 0.247
149 H ASN 23 H ASN 23 7.443 -2.089 -4.222
150 HA ASN 23 HA ASN 23 4.946 -0.860 -4.371
151 HB2 ASN 23 HB2 ASN 23 6.294 -2.938 -6.095
152 HB3 ASN 23 HB3 ASN 23 4.733 -2.239 -6.489
153 HD21 ASN 23 HD22 ASN 23 6.167 -1.778 -8.403
154 HD22 ASN 23 HD21 ASN 23 6.911 -0.158 -8.395
155 H GLY 24 H GLY 24 2.826 -1.637 -4.930
156 HA2 GLY 24 HA2 GLY 24 1.958 -4.243 -3.914
157 HA3 GLY 24 HA3 GLY 24 1.525 -2.870 -2.887
158 H LYS 25 H LYS 25 -0.373 -4.514 -3.817
159 HA LYS 25 HA LYS 25 -1.842 -3.082 -5.989
160 HB2 LYS 25 HB2 LYS 25 -0.660 -4.982 -6.885
161 HB3 LYS 25 HB3 LYS 25 -1.322 -6.056 -5.658
162 HG2 LYS 25 HG2 LYS 25 -3.248 -4.613 -7.478
163 HG3 LYS 25 HG3 LYS 25 -2.265 -5.898 -8.164
164 HD2 LYS 25 HD2 LYS 25 -3.104 -7.514 -6.502
165 HD3 LYS 25 HD3 LYS 25 -4.066 -6.244 -5.740
166 HE2 LYS 25 HE2 LYS 25 -5.043 -5.887 -8.168
167 HE3 LYS 25 HE3 LYS 25 -4.405 -7.508 -8.482
168 HZ1 LYS 25 HZ1 LYS 25 -6.695 -7.610 -7.751
169 HZ2 LYS 25 HZ2 LYS 25 -5.783 -8.274 -6.557
170 HZ3 LYS 25 HZ3 LYS 25 -6.371 -6.733 -6.409
171 H CYS 26 H CYS 26 -3.986 -2.915 -5.851
172 HA CYS 26 HA CYS 26 -5.175 -3.240 -3.178
173 HB2 CYS 26 HB2 CYS 26 -5.084 -1.076 -4.285
174 HB3 CYS 26 HB3 CYS 26 -6.006 -1.694 -5.645
175 H MET 27 H MET 27 -7.382 -3.918 -2.849
176 HA MET 27 HA MET 27 -8.598 -5.663 -4.909
177 HB2 MET 27 HB2 MET 27 -7.056 -7.034 -3.447
178 HB3 MET 27 HB3 MET 27 -8.090 -6.660 -2.070
179 HG2 MET 27 HG2 MET 27 -8.509 -8.888 -3.066
180 HG3 MET 27 HG3 MET 27 -9.945 -7.890 -3.122
181 HE1 MET 27 HE1 MET 27 -10.426 -10.044 -6.312
182 HE2 MET 27 HE2 MET 27 -9.818 -10.535 -4.718
183 HE3 MET 27 HE3 MET 27 -11.185 -9.405 -4.839
184 H ASN 28 H ASN 28 -10.250 -6.386 -2.171
185 HA ASN 28 HA ASN 28 -12.435 -4.530 -2.689
186 HB2 ASN 28 HB2 ASN 28 -13.569 -5.836 -0.967
187 HB3 ASN 28 HB3 ASN 28 -12.884 -6.881 -2.205
188 HD21 ASN 28 HD22 ASN 28 -13.706 -7.503 0.564
189 HD22 ASN 28 HD21 ASN 28 -12.270 -8.257 1.264
190 H ARG 29 H ARG 29 -11.441 -2.550 -2.228
191 HA ARG 29 HA ARG 29 -10.061 -1.030 -1.348
192 HB2 ARG 29 HB2 ARG 29 -11.235 0.183 0.433
193 HB3 ARG 29 HB3 ARG 29 -12.216 -0.266 -0.962
194 HG2 ARG 29 HG2 ARG 29 -13.362 -1.982 0.237
195 HG3 ARG 29 HG3 ARG 29 -12.158 -1.975 1.545
196 HD2 ARG 29 HD2 ARG 29 -14.137 -0.886 2.281
197 HD3 ARG 29 HD3 ARG 29 -12.772 0.263 2.145
198 HE ARG 29 HE ARG 29 -14.531 0.261 -0.196
199 HH11 ARG 29 HH11 ARG 29 -14.223 1.631 3.041
200 HH12 ARG 29 HH12 ARG 29 -15.240 2.994 2.605
201 HH21 ARG 29 HH21 ARG 29 -15.760 1.992 -0.617
202 HH22 ARG 29 HH22 ARG 29 -15.947 3.259 0.607
203 H LYS 30 H LYS 30 -9.523 -3.844 0.150
204 HA LYS 30 HA LYS 30 -7.455 -2.767 1.996
205 HB2 LYS 30 HB2 LYS 30 -8.016 -5.625 1.096
206 HB3 LYS 30 HB3 LYS 30 -6.841 -5.120 2.312
207 HG2 LYS 30 HG2 LYS 30 -8.813 -4.094 3.607
208 HG3 LYS 30 HG3 LYS 30 -9.869 -5.000 2.513
209 HD2 LYS 30 HD2 LYS 30 -7.759 -6.134 4.397
210 HD3 LYS 30 HD3 LYS 30 -9.510 -6.241 4.600
211 HE2 LYS 30 HE2 LYS 30 -9.681 -7.641 2.560
212 HE3 LYS 30 HE3 LYS 30 -7.941 -7.468 2.290
213 HZ1 LYS 30 HZ1 LYS 30 -7.571 -8.614 4.422
214 HZ2 LYS 30 HZ2 LYS 30 -9.192 -8.886 4.570
215 HZ3 LYS 30 HZ3 LYS 30 -8.328 -9.551 3.323
216 H CYS 31 H CYS 31 -5.133 -3.631 1.602
217 HA CYS 31 HA CYS 31 -4.436 -3.979 -1.239
218 HB2 CYS 31 HB2 CYS 31 -4.518 -1.436 -0.587
219 HB3 CYS 31 HB3 CYS 31 -3.047 -1.787 0.311
220 H LYS 32 H LYS 32 -2.403 -4.935 -1.597
221 HA LYS 32 HA LYS 32 -0.878 -5.915 0.754
222 HB2 LYS 32 HB2 LYS 32 -2.318 -7.579 -0.325
223 HB3 LYS 32 HB3 LYS 32 -1.754 -7.096 -1.930
224 HG2 LYS 32 HG2 LYS 32 -0.786 -9.192 -1.292
225 HG3 LYS 32 HG3 LYS 32 0.491 -7.979 -1.443
226 HD2 LYS 32 HD2 LYS 32 0.654 -7.755 1.002
227 HD3 LYS 32 HD3 LYS 32 -0.794 -8.793 1.198
228 HE2 LYS 32 HE2 LYS 32 0.346 -10.584 -0.033
229 HE3 LYS 32 HE3 LYS 32 1.793 -9.571 -0.149
230 HZ1 LYS 32 HZ1 LYS 32 2.009 -9.655 2.254
231 HZ2 LYS 32 HZ2 LYS 32 0.565 -10.430 2.419
232 HZ3 LYS 32 HZ3 LYS 32 1.858 -11.200 1.721
233 H CYS 33 H CYS 33 1.218 -5.275 0.776
234 HA CYS 33 HA CYS 33 2.575 -4.336 -1.680
235 HB2 CYS 33 HB2 CYS 33 3.291 -4.136 1.251
236 HB3 CYS 33 HB3 CYS 33 4.412 -3.783 -0.052
237 H TYR 34 H TYR 34 3.811 -5.601 -2.861
238 HA TYR 34 HA TYR 34 3.901 -8.456 -2.269
239 HB2 TYR 34 HB2 TYR 34 4.983 -6.776 -4.575
240 HB3 TYR 34 HB3 TYR 34 5.025 -8.526 -4.529
241 HD1 TYR 34 HD1 TYR 34 2.499 -9.509 -3.746
242 HD2 TYR 34 HD2 TYR 34 3.421 -6.042 -6.157
243 HE1 TYR 34 HE1 TYR 34 0.359 -9.782 -4.950
244 HE2 TYR 34 HE2 TYR 34 1.271 -6.341 -7.384
245 HH TYR 34 HH TYR 34 -0.946 -9.062 -6.614
246 H TYR 35 H TYR 35 6.314 -5.899 -2.437
247 HA TYR 35 HA TYR 35 8.516 -7.865 -1.896
248 HB2 TYR 35 HB2 TYR 35 8.751 -5.199 -3.260
249 HB3 TYR 35 HB3 TYR 35 9.936 -6.510 -3.218
250 HD1 TYR 35 HD1 TYR 35 8.591 -8.890 -4.046
251 HD2 TYR 35 HD2 TYR 35 7.958 -4.840 -5.405
252 HE1 TYR 35 HE1 TYR 35 7.585 -9.747 -6.144
253 HE2 TYR 35 HE2 TYR 35 6.951 -5.701 -7.505
254 HH TYR 35 HH TYR 35 6.608 -9.223 -8.112
255 H CYS 36 H CYS 36 6.787 -5.874 -0.087
256 HA CYS 36 HA CYS 36 8.918 -5.922 1.929
257 HB2 CYS 36 HB2 CYS 36 9.118 -3.724 0.840
258 HB3 CYS 36 HB3 CYS 36 7.433 -3.368 1.256
Start of MODEL 17
1 H1 ALA 1 H1 ALA 1 1.450 -2.841 6.599
2 H2 ALA 1 H2 ALA 1 1.498 -2.994 8.239
3 H3 ALA 1 H3 ALA 1 0.438 -1.944 7.534
4 HA ALA 1 HA ALA 1 0.402 -4.860 7.232
5 HB1 ALA 1 HB1 ALA 1 -1.696 -4.794 8.558
6 HB2 ALA 1 HB2 ALA 1 -0.306 -4.225 9.494
7 HB3 ALA 1 HB3 ALA 1 -1.466 -3.053 8.825
8 H ALA 2 H ALA 2 -1.212 -5.719 5.891
9 HA ALA 2 HA ALA 2 -2.003 -4.060 3.672
10 HB1 ALA 2 HB1 ALA 2 -2.730 -6.935 4.409
11 HB2 ALA 2 HB2 ALA 2 -2.962 -6.176 2.821
12 HB3 ALA 2 HB3 ALA 2 -1.322 -6.422 3.447
13 H ALA 3 H ALA 3 -3.664 -5.151 6.531
14 HA ALA 3 HA ALA 3 -6.333 -4.891 5.810
15 HB1 ALA 3 HB1 ALA 3 -6.716 -4.904 8.245
16 HB2 ALA 3 HB2 ALA 3 -5.478 -6.079 7.762
17 HB3 ALA 3 HB3 ALA 3 -4.996 -4.529 8.504
18 H ILE 4 H ILE 4 -4.512 -2.286 5.466
19 HA ILE 4 HA ILE 4 -6.048 -0.216 6.866
20 HB ILE 4 HB ILE 4 -4.632 1.338 5.584
21 HG12 ILE 4 HG12 ILE 4 -3.378 -1.200 4.436
22 HG13 ILE 4 HG13 ILE 4 -4.199 0.103 3.565
23 HG21 ILE 4 HG21 ILE 4 -2.661 0.991 6.894
24 HG22 ILE 4 HG22 ILE 4 -4.037 0.452 7.856
25 HG23 ILE 4 HG23 ILE 4 -2.989 -0.747 7.063
26 HD11 ILE 4 HD11 ILE 4 -1.895 0.462 3.263
27 HD12 ILE 4 HD12 ILE 4 -2.379 1.655 4.497
28 HD13 ILE 4 HD13 ILE 4 -1.516 0.170 4.968
29 H SER 5 H SER 5 -7.105 1.478 5.606
30 HA SER 5 HA SER 5 -8.745 0.500 3.408
31 HB2 SER 5 HB2 SER 5 -8.193 3.340 4.317
32 HB3 SER 5 HB3 SER 5 -9.421 2.830 3.137
33 HG SER 5 HG SER 5 -10.305 3.041 5.222
34 H CYS 6 H CYS 6 -7.798 -0.072 1.512
35 HA CYS 6 HA CYS 6 -5.456 1.245 0.505
36 HB2 CYS 6 HB2 CYS 6 -6.401 -1.063 0.014
37 HB3 CYS 6 HB3 CYS 6 -7.354 -0.267 -1.246
38 H VAL 7 H VAL 7 -8.910 2.056 0.154
39 HA VAL 7 HA VAL 7 -8.604 4.068 -1.889
40 HB VAL 7 HB VAL 7 -10.506 3.942 0.491
41 HG11 VAL 7 HG11 VAL 7 -11.961 5.411 -0.914
42 HG12 VAL 7 HG12 VAL 7 -10.493 6.227 -0.390
43 HG13 VAL 7 HG13 VAL 7 -10.620 5.619 -2.060
44 HG21 VAL 7 HG21 VAL 7 -10.886 3.116 -2.427
45 HG22 VAL 7 HG22 VAL 7 -10.728 1.996 -1.070
46 HG23 VAL 7 HG23 VAL 7 -12.128 3.064 -1.159
47 H GLY 8 H GLY 8 -8.276 4.162 1.622
48 HA2 GLY 8 HA2 GLY 8 -7.470 5.852 3.083
49 HA3 GLY 8 HA3 GLY 8 -6.063 5.317 2.168
50 H SER 9 H SER 9 -4.770 6.767 1.625
51 HA SER 9 HA SER 9 -5.852 9.239 0.295
52 HB2 SER 9 HB2 SER 9 -4.053 9.036 2.626
53 HB3 SER 9 HB3 SER 9 -3.564 10.216 1.372
54 HG SER 9 HG SER 9 -4.950 11.260 2.754
55 HA PRO 10 HA PRO 10 -1.941 8.228 -2.236
56 HB2 PRO 10 HB2 PRO 10 -0.098 6.429 -1.395
57 HB3 PRO 10 HB3 PRO 10 -0.098 8.101 -0.752
58 HG2 PRO 10 HG2 PRO 10 -1.402 5.638 0.454
59 HG3 PRO 10 HG3 PRO 10 -0.223 6.713 1.262
60 HD2 PRO 10 HD2 PRO 10 -2.911 7.018 1.565
61 HD3 PRO 10 HD3 PRO 10 -1.845 8.456 1.421
62 H GLU 11 H GLU 11 -1.207 5.927 -3.530
63 HA GLU 11 HA GLU 11 -3.483 4.223 -3.675
64 HB2 GLU 11 HB2 GLU 11 -2.158 4.863 -5.610
65 HB3 GLU 11 HB3 GLU 11 -0.709 4.098 -4.924
66 HG2 GLU 11 HG2 GLU 11 -1.770 1.951 -4.911
67 HG3 GLU 11 HG3 GLU 11 -3.305 2.690 -5.421
68 H CYS 12 H CYS 12 -0.035 3.261 -2.810
69 HA CYS 12 HA CYS 12 -1.103 1.670 -0.596
70 HB2 CYS 12 HB2 CYS 12 -1.878 0.309 -2.394
71 HB3 CYS 12 HB3 CYS 12 -0.289 0.225 -3.117
72 HA PRO 13 HA PRO 13 3.483 0.396 -0.631
73 HB2 PRO 13 HB2 PRO 13 5.299 2.010 -2.057
74 HB3 PRO 13 HB3 PRO 13 4.719 0.376 -2.459
75 HG2 PRO 13 HG2 PRO 13 3.759 3.031 -3.499
76 HG3 PRO 13 HG3 PRO 13 3.903 1.477 -4.363
77 HD2 PRO 13 HD2 PRO 13 1.516 2.416 -3.481
78 HD3 PRO 13 HD3 PRO 13 1.886 0.683 -3.466
79 HA PRO 14 HA PRO 14 4.973 4.394 1.445
80 HB2 PRO 14 HB2 PRO 14 3.612 6.733 1.332
81 HB3 PRO 14 HB3 PRO 14 4.747 6.230 0.038
82 HG2 PRO 14 HG2 PRO 14 1.736 5.888 0.105
83 HG3 PRO 14 HG3 PRO 14 2.727 6.600 -1.210
84 HD2 PRO 14 HD2 PRO 14 1.907 4.002 -1.241
85 HD3 PRO 14 HD3 PRO 14 3.519 4.487 -1.868
86 H LYS 15 H LYS 15 1.625 3.405 1.342
87 HA LYS 15 HA LYS 15 1.289 4.040 4.221
88 HB2 LYS 15 HB2 LYS 15 -0.984 3.650 4.097
89 HB3 LYS 15 HB3 LYS 15 -0.525 4.862 2.919
90 HG2 LYS 15 HG2 LYS 15 -1.002 3.420 1.072
91 HG3 LYS 15 HG3 LYS 15 -0.932 1.987 2.079
92 HD2 LYS 15 HD2 LYS 15 -3.226 2.110 2.044
93 HD3 LYS 15 HD3 LYS 15 -2.988 3.262 3.341
94 HE2 LYS 15 HE2 LYS 15 -4.410 4.423 2.140
95 HE3 LYS 15 HE3 LYS 15 -2.889 5.067 1.533
96 HZ1 LYS 15 HZ1 LYS 15 -3.193 3.309 -0.326
97 HZ2 LYS 15 HZ2 LYS 15 -4.740 3.180 0.185
98 HZ3 LYS 15 HZ3 LYS 15 -4.174 4.581 -0.380
99 H CYS 16 H CYS 16 2.340 1.359 2.364
100 HA CYS 16 HA CYS 16 1.320 -0.784 3.910
101 HB2 CYS 16 HB2 CYS 16 4.036 -0.494 2.578
102 HB3 CYS 16 HB3 CYS 16 3.397 -2.000 3.224
103 H ARG 17 H ARG 17 3.940 1.458 4.790
104 HA ARG 17 HA ARG 17 4.006 0.515 7.531
105 HB2 ARG 17 HB2 ARG 17 6.408 0.005 7.574
106 HB3 ARG 17 HB3 ARG 17 5.515 -1.117 6.536
107 HG2 ARG 17 HG2 ARG 17 6.325 -0.020 4.531
108 HG3 ARG 17 HG3 ARG 17 7.061 1.269 5.481
109 HD2 ARG 17 HD2 ARG 17 8.690 -0.343 4.648
110 HD3 ARG 17 HD3 ARG 17 8.714 -0.157 6.395
111 HE ARG 17 HE ARG 17 7.074 -2.430 5.519
112 HH11 ARG 17 HH11 ARG 17 10.391 -1.547 6.344
113 HH12 ARG 17 HH12 ARG 17 10.697 -3.126 7.019
114 HH21 ARG 17 HH21 ARG 17 7.636 -4.397 6.080
115 HH22 ARG 17 HH22 ARG 17 9.282 -4.767 6.622
116 H ALA 18 H ALA 18 5.638 1.748 8.826
117 HA ALA 18 HA ALA 18 4.877 4.440 8.704
118 HB1 ALA 18 HB1 ALA 18 5.443 3.185 10.735
119 HB2 ALA 18 HB2 ALA 18 7.143 3.083 10.226
120 HB3 ALA 18 HB3 ALA 18 6.426 4.661 10.636
121 H GLN 19 H GLN 19 7.770 3.042 7.309
122 HA GLN 19 HA GLN 19 8.768 5.720 6.430
123 HB2 GLN 19 HB2 GLN 19 10.940 4.747 6.279
124 HB3 GLN 19 HB3 GLN 19 10.296 4.578 7.908
125 HG2 GLN 19 HG2 GLN 19 10.035 2.295 5.901
126 HG3 GLN 19 HG3 GLN 19 11.526 2.619 6.746
127 HE21 GLN 19 HE22 GLN 19 11.746 1.982 8.941
128 HE22 GLN 19 HE21 GLN 19 10.458 1.151 9.799
129 H GLY 20 H GLY 20 6.859 3.478 5.204
130 HA2 GLY 20 HA2 GLY 20 6.158 2.912 3.142
131 HA3 GLY 20 HA3 GLY 20 7.327 4.027 2.423
132 H CYS 21 H CYS 21 6.454 1.685 1.338
133 HA CYS 21 HA CYS 21 8.692 -0.300 1.438
134 HB2 CYS 21 HB2 CYS 21 5.700 -0.425 1.037
135 HB3 CYS 21 HB3 CYS 21 6.682 -1.603 0.220
136 H LYS 22 H LYS 22 9.050 -1.479 -0.657
137 HA LYS 22 HA LYS 22 9.784 0.250 -2.737
138 HB2 LYS 22 HB2 LYS 22 9.248 -2.732 -3.041
139 HB3 LYS 22 HB3 LYS 22 10.250 -1.717 -4.083
140 HG2 LYS 22 HG2 LYS 22 11.771 -1.310 -2.093
141 HG3 LYS 22 HG3 LYS 22 10.781 -2.482 -1.197
142 HD2 LYS 22 HD2 LYS 22 11.293 -4.192 -2.982
143 HD3 LYS 22 HD3 LYS 22 12.377 -3.015 -3.729
144 HE2 LYS 22 HE2 LYS 22 13.799 -4.402 -2.486
145 HE3 LYS 22 HE3 LYS 22 13.646 -2.952 -1.491
146 HZ1 LYS 22 HZ1 LYS 22 12.013 -4.159 -0.146
147 HZ2 LYS 22 HZ2 LYS 22 12.124 -5.488 -1.117
148 HZ3 LYS 22 HZ3 LYS 22 13.396 -5.026 -0.197
149 H ASN 23 H ASN 23 7.044 -2.062 -2.956
150 HA ASN 23 HA ASN 23 5.528 -0.261 -4.709
151 HB2 ASN 23 HB2 ASN 23 7.288 -1.633 -6.058
152 HB3 ASN 23 HB3 ASN 23 6.232 -3.017 -5.770
153 HD21 ASN 23 HD22 ASN 23 6.941 -2.131 -8.302
154 HD22 ASN 23 HD21 ASN 23 5.470 -1.547 -9.086
155 H GLY 24 H GLY 24 3.416 -1.240 -5.270
156 HA2 GLY 24 HA2 GLY 24 2.224 -3.461 -4.058
157 HA3 GLY 24 HA3 GLY 24 2.053 -2.150 -2.887
158 H LYS 25 H LYS 25 -0.147 -3.395 -3.948
159 HA LYS 25 HA LYS 25 -1.484 -1.354 -5.662
160 HB2 LYS 25 HB2 LYS 25 -0.200 -3.336 -6.902
161 HB3 LYS 25 HB3 LYS 25 -1.527 -4.316 -6.321
162 HG2 LYS 25 HG2 LYS 25 -2.168 -3.864 -8.435
163 HG3 LYS 25 HG3 LYS 25 -3.041 -2.578 -7.604
164 HD2 LYS 25 HD2 LYS 25 -0.336 -2.277 -9.019
165 HD3 LYS 25 HD3 LYS 25 -1.895 -1.924 -9.767
166 HE2 LYS 25 HE2 LYS 25 -2.348 -0.163 -8.149
167 HE3 LYS 25 HE3 LYS 25 -0.841 -0.519 -7.283
168 HZ1 LYS 25 HZ1 LYS 25 0.400 0.206 -9.135
169 HZ2 LYS 25 HZ2 LYS 25 -0.937 0.451 -10.084
170 HZ3 LYS 25 HZ3 LYS 25 -0.682 1.391 -8.768
171 H CYS 26 H CYS 26 -3.844 -1.520 -5.637
172 HA CYS 26 HA CYS 26 -4.843 -2.630 -3.132
173 HB2 CYS 26 HB2 CYS 26 -6.320 -1.241 -5.377
174 HB3 CYS 26 HB3 CYS 26 -7.013 -1.705 -3.832
175 H MET 27 H MET 27 -5.877 -4.381 -2.720
176 HA MET 27 HA MET 27 -6.658 -6.295 -4.856
177 HB2 MET 27 HB2 MET 27 -5.147 -6.900 -2.858
178 HB3 MET 27 HB3 MET 27 -6.569 -6.756 -1.838
179 HG2 MET 27 HG2 MET 27 -6.032 -9.080 -2.519
180 HG3 MET 27 HG3 MET 27 -7.637 -8.605 -3.006
181 HE1 MET 27 HE1 MET 27 -4.123 -8.828 -6.047
182 HE2 MET 27 HE2 MET 27 -4.504 -7.321 -5.186
183 HE3 MET 27 HE3 MET 27 -3.917 -8.740 -4.279
184 H ASN 28 H ASN 28 -8.685 -7.190 -2.458
185 HA ASN 28 HA ASN 28 -10.946 -5.577 -3.416
186 HB2 ASN 28 HB2 ASN 28 -11.122 -8.011 -2.935
187 HB3 ASN 28 HB3 ASN 28 -10.808 -7.693 -1.225
188 HD21 ASN 28 HD22 ASN 28 -13.056 -8.959 -1.444
189 HD22 ASN 28 HD21 ASN 28 -14.422 -7.829 -1.347
190 H ARG 29 H ARG 29 -10.021 -3.564 -2.879
191 HA ARG 29 HA ARG 29 -9.123 -1.859 -1.785
192 HB2 ARG 29 HB2 ARG 29 -10.667 -0.692 -0.334
193 HB3 ARG 29 HB3 ARG 29 -11.412 -1.342 -1.804
194 HG2 ARG 29 HG2 ARG 29 -12.400 -3.188 -0.567
195 HG3 ARG 29 HG3 ARG 29 -11.542 -2.712 0.914
196 HD2 ARG 29 HD2 ARG 29 -12.763 -0.673 1.045
197 HD3 ARG 29 HD3 ARG 29 -13.459 -0.901 -0.581
198 HE ARG 29 HE ARG 29 -14.487 -3.043 0.436
199 HH11 ARG 29 HH11 ARG 29 -14.229 -0.044 2.276
200 HH12 ARG 29 HH12 ARG 29 -15.445 -0.584 3.422
201 HH21 ARG 29 HH21 ARG 29 -15.921 -3.611 1.834
202 HH22 ARG 29 HH22 ARG 29 -16.471 -2.574 3.136
203 H LYS 30 H LYS 30 -8.215 -4.443 -0.504
204 HA LYS 30 HA LYS 30 -6.885 -3.174 1.867
205 HB2 LYS 30 HB2 LYS 30 -6.893 -6.071 0.911
206 HB3 LYS 30 HB3 LYS 30 -5.992 -5.460 2.294
207 HG2 LYS 30 HG2 LYS 30 -9.033 -5.538 2.035
208 HG3 LYS 30 HG3 LYS 30 -8.015 -6.595 3.003
209 HD2 LYS 30 HD2 LYS 30 -8.407 -5.200 4.713
210 HD3 LYS 30 HD3 LYS 30 -7.240 -4.115 3.949
211 HE2 LYS 30 HE2 LYS 30 -9.192 -3.071 2.690
212 HE3 LYS 30 HE3 LYS 30 -10.270 -4.077 3.671
213 HZ1 LYS 30 HZ1 LYS 30 -8.359 -2.066 4.716
214 HZ2 LYS 30 HZ2 LYS 30 -9.988 -1.884 4.663
215 HZ3 LYS 30 HZ3 LYS 30 -9.347 -2.995 5.657
216 H CYS 31 H CYS 31 -4.555 -3.177 1.973
217 HA CYS 31 HA CYS 31 -3.464 -2.504 -0.737
218 HB2 CYS 31 HB2 CYS 31 -3.409 -0.689 0.740
219 HB3 CYS 31 HB3 CYS 31 -2.822 -1.667 2.072
220 H LYS 32 H LYS 32 -2.544 -4.168 -1.739
221 HA LYS 32 HA LYS 32 -1.026 -6.217 -0.223
222 HB2 LYS 32 HB2 LYS 32 -2.750 -6.844 -1.934
223 HB3 LYS 32 HB3 LYS 32 -1.817 -6.016 -3.167
224 HG2 LYS 32 HG2 LYS 32 -1.464 -8.359 -3.363
225 HG3 LYS 32 HG3 LYS 32 0.054 -7.635 -2.852
226 HD2 LYS 32 HD2 LYS 32 -1.798 -8.686 -0.708
227 HD3 LYS 32 HD3 LYS 32 -1.014 -9.876 -1.736
228 HE2 LYS 32 HE2 LYS 32 0.717 -7.702 -0.587
229 HE3 LYS 32 HE3 LYS 32 0.107 -8.927 0.534
230 HZ1 LYS 32 HZ1 LYS 32 2.280 -9.464 -0.481
231 HZ2 LYS 32 HZ2 LYS 32 1.146 -10.618 -0.715
232 HZ3 LYS 32 HZ3 LYS 32 1.553 -9.614 -1.955
233 H CYS 33 H CYS 33 0.955 -5.426 0.334
234 HA CYS 33 HA CYS 33 2.570 -3.932 -1.613
235 HB2 CYS 33 HB2 CYS 33 2.745 -4.424 1.233
236 HB3 CYS 33 HB3 CYS 33 4.253 -4.866 0.438
237 H TYR 34 H TYR 34 4.299 -4.663 -2.786
238 HA TYR 34 HA TYR 34 3.948 -7.479 -3.652
239 HB2 TYR 34 HB2 TYR 34 5.262 -5.014 -4.845
240 HB3 TYR 34 HB3 TYR 34 5.431 -6.605 -5.549
241 HD1 TYR 34 HD2 TYR 34 2.054 -6.446 -4.319
242 HD2 TYR 34 HD1 TYR 34 4.669 -5.046 -7.461
243 HE1 TYR 34 HE2 TYR 34 0.141 -6.352 -5.865
244 HE2 TYR 34 HE1 TYR 34 2.745 -4.914 -8.995
245 HH TYR 34 HH TYR 34 0.567 -5.476 -9.333
246 H TYR 35 H TYR 35 6.614 -5.361 -2.745
247 HA TYR 35 HA TYR 35 8.491 -7.680 -2.521
248 HB2 TYR 35 HB2 TYR 35 9.139 -4.980 -3.727
249 HB3 TYR 35 HB3 TYR 35 10.175 -6.400 -3.683
250 HD1 TYR 35 HD1 TYR 35 8.690 -8.598 -4.739
251 HD2 TYR 35 HD2 TYR 35 8.577 -4.448 -5.917
252 HE1 TYR 35 HE1 TYR 35 7.972 -9.260 -7.031
253 HE2 TYR 35 HE2 TYR 35 7.903 -5.114 -8.209
254 HH TYR 35 HH TYR 35 7.599 -6.862 -9.653
255 H CYS 36 H CYS 36 7.126 -6.354 -0.298
256 HA CYS 36 HA CYS 36 9.387 -5.710 1.395
257 HB2 CYS 36 HB2 CYS 36 9.256 -3.605 0.332
258 HB3 CYS 36 HB3 CYS 36 7.498 -3.579 0.397
Start of MODEL 18
1 H1 ALA 1 H1 ALA 1 3.624 -6.412 8.157
2 H2 ALA 1 H2 ALA 1 4.632 -6.762 6.887
3 H3 ALA 1 H3 ALA 1 3.482 -7.851 7.356
4 HA ALA 1 HA ALA 1 2.937 -5.196 6.273
5 HB1 ALA 1 HB1 ALA 1 3.855 -6.664 4.527
6 HB2 ALA 1 HB2 ALA 1 2.662 -7.922 4.937
7 HB3 ALA 1 HB3 ALA 1 2.127 -6.369 4.244
8 H ALA 2 H ALA 2 0.664 -4.794 5.777
9 HA ALA 2 HA ALA 2 -1.315 -6.485 7.230
10 HB1 ALA 2 HB1 ALA 2 -0.537 -4.631 8.744
11 HB2 ALA 2 HB2 ALA 2 -0.995 -3.456 7.489
12 HB3 ALA 2 HB3 ALA 2 -2.234 -4.459 8.263
13 H ALA 3 H ALA 3 -3.518 -6.207 6.328
14 HA ALA 3 HA ALA 3 -3.505 -5.125 3.585
15 HB1 ALA 3 HB1 ALA 3 -4.791 -7.141 4.113
16 HB2 ALA 3 HB2 ALA 3 -5.828 -6.151 5.186
17 HB3 ALA 3 HB3 ALA 3 -5.751 -5.790 3.446
18 H ILE 4 H ILE 4 -3.340 -3.008 3.494
19 HA ILE 4 HA ILE 4 -4.615 -1.210 5.404
20 HB ILE 4 HB ILE 4 -3.258 0.486 4.296
21 HG12 ILE 4 HG12 ILE 4 -1.419 -1.173 2.876
22 HG13 ILE 4 HG13 ILE 4 -2.985 -1.603 2.227
23 HG21 ILE 4 HG21 ILE 4 -2.431 -0.785 6.223
24 HG22 ILE 4 HG22 ILE 4 -1.764 -2.025 5.148
25 HG23 ILE 4 HG23 ILE 4 -1.122 -0.349 5.103
26 HD11 ILE 4 HD11 ILE 4 -3.500 0.797 1.835
27 HD12 ILE 4 HD12 ILE 4 -1.856 1.163 2.424
28 HD13 ILE 4 HD13 ILE 4 -2.075 0.208 0.936
29 H SER 5 H SER 5 -5.799 0.652 4.707
30 HA SER 5 HA SER 5 -7.777 0.119 2.624
31 HB2 SER 5 HB2 SER 5 -7.258 2.609 4.285
32 HB3 SER 5 HB3 SER 5 -8.575 2.406 3.128
33 HG SER 5 HG SER 5 -9.203 1.919 5.271
34 H CYS 6 H CYS 6 -7.068 0.102 0.618
35 HA CYS 6 HA CYS 6 -4.941 1.608 -0.625
36 HB2 CYS 6 HB2 CYS 6 -5.873 -0.445 -1.556
37 HB3 CYS 6 HB3 CYS 6 -7.473 0.298 -1.690
38 H VAL 7 H VAL 7 -8.354 2.331 -0.066
39 HA VAL 7 HA VAL 7 -8.570 4.741 -1.620
40 HB VAL 7 HB VAL 7 -10.600 5.098 -0.175
41 HG11 VAL 7 HG11 VAL 7 -10.696 3.850 -2.270
42 HG12 VAL 7 HG12 VAL 7 -10.325 2.337 -1.415
43 HG13 VAL 7 HG13 VAL 7 -11.840 3.205 -1.079
44 HG21 VAL 7 HG21 VAL 7 -9.865 2.418 1.100
45 HG22 VAL 7 HG22 VAL 7 -9.873 3.994 1.933
46 HG23 VAL 7 HG23 VAL 7 -11.374 3.312 1.304
47 H GLY 8 H GLY 8 -7.141 4.202 1.469
48 HA2 GLY 8 HA2 GLY 8 -7.764 6.033 3.236
49 HA3 GLY 8 HA3 GLY 8 -6.078 5.645 2.876
50 H SER 9 H SER 9 -5.042 6.941 1.138
51 HA SER 9 HA SER 9 -6.164 9.497 0.403
52 HB2 SER 9 HB2 SER 9 -5.513 10.356 2.471
53 HB3 SER 9 HB3 SER 9 -3.990 9.482 2.486
54 HG SER 9 HG SER 9 -4.070 11.842 1.934
55 HA PRO 10 HA PRO 10 -2.252 8.412 -2.157
56 HB2 PRO 10 HB2 PRO 10 -0.307 6.785 -1.209
57 HB3 PRO 10 HB3 PRO 10 -0.354 8.514 -0.692
58 HG2 PRO 10 HG2 PRO 10 -1.518 6.076 0.692
59 HG3 PRO 10 HG3 PRO 10 -0.396 7.250 1.419
60 HD2 PRO 10 HD2 PRO 10 -3.095 7.477 1.756
61 HD3 PRO 10 HD3 PRO 10 -2.083 8.934 1.498
62 H GLU 11 H GLU 11 -1.499 6.209 -3.216
63 HA GLU 11 HA GLU 11 -3.619 4.194 -3.109
64 HB2 GLU 11 HB2 GLU 11 -0.975 4.320 -4.530
65 HB3 GLU 11 HB3 GLU 11 -1.978 2.898 -4.557
66 HG2 GLU 11 HG2 GLU 11 -2.430 4.009 -6.578
67 HG3 GLU 11 HG3 GLU 11 -3.855 4.247 -5.487
68 H CYS 12 H CYS 12 -0.215 3.135 -2.840
69 HA CYS 12 HA CYS 12 -0.951 1.793 -0.274
70 HB2 CYS 12 HB2 CYS 12 -0.085 0.288 -2.756
71 HB3 CYS 12 HB3 CYS 12 -0.289 -0.358 -1.150
72 HA PRO 13 HA PRO 13 3.701 0.761 -0.650
73 HB2 PRO 13 HB2 PRO 13 5.033 2.883 -2.184
74 HB3 PRO 13 HB3 PRO 13 5.128 1.107 -2.336
75 HG2 PRO 13 HG2 PRO 13 3.713 2.901 -4.039
76 HG3 PRO 13 HG3 PRO 13 3.716 1.120 -4.096
77 HD2 PRO 13 HD2 PRO 13 1.577 2.865 -3.207
78 HD3 PRO 13 HD3 PRO 13 1.614 1.106 -3.347
79 HA PRO 14 HA PRO 14 4.975 4.768 1.558
80 HB2 PRO 14 HB2 PRO 14 3.585 7.084 1.445
81 HB3 PRO 14 HB3 PRO 14 4.724 6.593 0.154
82 HG2 PRO 14 HG2 PRO 14 1.709 6.243 0.207
83 HG3 PRO 14 HG3 PRO 14 2.713 6.936 -1.105
84 HD2 PRO 14 HD2 PRO 14 1.879 4.338 -1.096
85 HD3 PRO 14 HD3 PRO 14 3.474 4.814 -1.773
86 H LYS 15 H LYS 15 1.751 3.625 1.503
87 HA LYS 15 HA LYS 15 1.109 4.449 4.288
88 HB2 LYS 15 HB2 LYS 15 -0.477 4.676 2.271
89 HB3 LYS 15 HB3 LYS 15 -0.674 2.930 2.384
90 HG2 LYS 15 HG2 LYS 15 -1.333 3.335 4.863
91 HG3 LYS 15 HG3 LYS 15 -1.367 5.061 4.454
92 HD2 LYS 15 HD2 LYS 15 -3.130 2.886 3.263
93 HD3 LYS 15 HD3 LYS 15 -3.593 4.084 4.444
94 HE2 LYS 15 HE2 LYS 15 -4.110 5.531 2.853
95 HE3 LYS 15 HE3 LYS 15 -2.430 5.565 2.327
96 HZ1 LYS 15 HZ1 LYS 15 -3.919 4.910 0.466
97 HZ2 LYS 15 HZ2 LYS 15 -2.951 3.687 0.807
98 HZ3 LYS 15 HZ3 LYS 15 -4.478 3.635 1.354
99 H CYS 16 H CYS 16 2.063 1.629 2.401
100 HA CYS 16 HA CYS 16 1.328 -0.556 3.936
101 HB2 CYS 16 HB2 CYS 16 3.893 0.040 2.428
102 HB3 CYS 16 HB3 CYS 16 3.549 -1.540 3.117
103 H ARG 17 H ARG 17 4.002 1.670 4.649
104 HA ARG 17 HA ARG 17 3.889 1.055 7.449
105 HB2 ARG 17 HB2 ARG 17 6.151 0.517 7.813
106 HB3 ARG 17 HB3 ARG 17 5.516 -0.647 6.618
107 HG2 ARG 17 HG2 ARG 17 6.603 0.753 4.809
108 HG3 ARG 17 HG3 ARG 17 7.363 1.701 6.101
109 HD2 ARG 17 HD2 ARG 17 7.736 -1.250 5.550
110 HD3 ARG 17 HD3 ARG 17 8.896 0.066 5.274
111 HE ARG 17 HE ARG 17 7.866 -0.522 8.030
112 HH11 ARG 17 HH12 ARG 17 10.761 -0.305 6.024
113 HH12 ARG 17 HH11 ARG 17 11.771 -0.165 7.454
114 HH21 ARG 17 HH21 ARG 17 9.162 -0.550 9.665
115 HH22 ARG 17 HH22 ARG 17 10.921 -0.483 9.480
116 H ALA 18 H ALA 18 5.362 2.562 8.653
117 HA ALA 18 HA ALA 18 4.604 5.174 7.974
118 HB1 ALA 18 HB1 ALA 18 6.669 4.057 9.909
119 HB2 ALA 18 HB2 ALA 18 6.042 5.738 9.962
120 HB3 ALA 18 HB3 ALA 18 4.949 4.355 10.228
121 H GLN 19 H GLN 19 7.762 3.666 7.473
122 HA GLN 19 HA GLN 19 8.882 5.998 6.052
123 HB2 GLN 19 HB2 GLN 19 10.939 4.742 6.019
124 HB3 GLN 19 HB3 GLN 19 10.330 5.106 7.618
125 HG2 GLN 19 HG2 GLN 19 9.858 2.411 6.300
126 HG3 GLN 19 HG3 GLN 19 11.336 2.823 7.159
127 HE21 GLN 19 HE22 GLN 19 11.299 2.997 9.507
128 HE22 GLN 19 HE21 GLN 19 9.847 2.533 10.394
129 H GLY 20 H GLY 20 6.900 3.596 5.133
130 HA2 GLY 20 HA2 GLY 20 6.127 2.857 3.185
131 HA3 GLY 20 HA3 GLY 20 7.172 3.998 2.332
132 H CYS 21 H CYS 21 6.423 1.757 1.259
133 HA CYS 21 HA CYS 21 8.620 -0.275 1.332
134 HB2 CYS 21 HB2 CYS 21 5.605 -0.397 1.020
135 HB3 CYS 21 HB3 CYS 21 6.608 -1.699 0.460
136 H LYS 22 H LYS 22 8.913 -1.513 -0.634
137 HA LYS 22 HA LYS 22 9.391 0.014 -2.961
138 HB2 LYS 22 HB2 LYS 22 9.147 -3.000 -2.582
139 HB3 LYS 22 HB3 LYS 22 9.688 -2.233 -4.064
140 HG2 LYS 22 HG2 LYS 22 11.777 -2.342 -3.280
141 HG3 LYS 22 HG3 LYS 22 11.353 -1.033 -2.174
142 HD2 LYS 22 HD2 LYS 22 10.621 -2.715 -0.495
143 HD3 LYS 22 HD3 LYS 22 11.086 -4.020 -1.605
144 HE2 LYS 22 HE2 LYS 22 13.386 -3.556 -1.423
145 HE3 LYS 22 HE3 LYS 22 13.102 -1.932 -0.772
146 HZ1 LYS 22 HZ1 LYS 22 12.297 -4.366 0.732
147 HZ2 LYS 22 HZ2 LYS 22 13.751 -3.631 0.937
148 HZ3 LYS 22 HZ3 LYS 22 12.344 -2.837 1.260
149 H ASN 23 H ASN 23 6.720 -2.379 -2.562
150 HA ASN 23 HA ASN 23 5.194 -1.119 -4.784
151 HB2 ASN 23 HB2 ASN 23 6.400 -3.925 -4.790
152 HB3 ASN 23 HB3 ASN 23 5.053 -3.481 -5.822
153 HD21 ASN 23 HD22 ASN 23 5.365 -1.634 -7.316
154 HD22 ASN 23 HD21 ASN 23 6.991 -1.414 -7.993
155 H GLY 24 H GLY 24 3.029 -1.900 -5.015
156 HA2 GLY 24 HA2 GLY 24 1.904 -3.962 -3.403
157 HA3 GLY 24 HA3 GLY 24 1.487 -2.406 -2.680
158 H LYS 25 H LYS 25 -0.265 -4.409 -3.817
159 HA LYS 25 HA LYS 25 -1.400 -3.152 -6.305
160 HB2 LYS 25 HB2 LYS 25 -0.255 -5.223 -6.730
161 HB3 LYS 25 HB3 LYS 25 -1.103 -6.048 -5.438
162 HG2 LYS 25 HG2 LYS 25 -2.739 -4.880 -7.671
163 HG3 LYS 25 HG3 LYS 25 -1.747 -6.301 -8.017
164 HD2 LYS 25 HD2 LYS 25 -2.798 -7.546 -6.176
165 HD3 LYS 25 HD3 LYS 25 -3.856 -6.193 -5.809
166 HE2 LYS 25 HE2 LYS 25 -3.765 -7.624 -8.505
167 HE3 LYS 25 HE3 LYS 25 -4.868 -8.058 -7.193
168 HZ1 LYS 25 HZ1 LYS 25 -4.814 -5.423 -8.552
169 HZ2 LYS 25 HZ2 LYS 25 -5.976 -6.586 -8.727
170 HZ3 LYS 25 HZ3 LYS 25 -5.756 -5.777 -7.298
171 H CYS 26 H CYS 26 -3.480 -2.539 -6.290
172 HA CYS 26 HA CYS 26 -4.900 -2.547 -3.763
173 HB2 CYS 26 HB2 CYS 26 -4.617 -0.626 -5.360
174 HB3 CYS 26 HB3 CYS 26 -5.741 -1.448 -6.444
175 H MET 27 H MET 27 -7.160 -2.988 -3.527
176 HA MET 27 HA MET 27 -8.328 -5.277 -5.067
177 HB2 MET 27 HB2 MET 27 -7.774 -5.060 -2.063
178 HB3 MET 27 HB3 MET 27 -8.824 -6.286 -2.767
179 HG2 MET 27 HG2 MET 27 -7.020 -7.244 -4.021
180 HG3 MET 27 HG3 MET 27 -5.921 -5.966 -3.590
181 HE1 MET 27 HE1 MET 27 -4.283 -8.089 -3.146
182 HE2 MET 27 HE2 MET 27 -4.626 -9.305 -1.894
183 HE3 MET 27 HE3 MET 27 -5.636 -9.234 -3.350
184 H ASN 28 H ASN 28 -10.624 -5.540 -3.397
185 HA ASN 28 HA ASN 28 -12.160 -3.100 -3.893
186 HB2 ASN 28 HB2 ASN 28 -13.261 -5.298 -4.018
187 HB3 ASN 28 HB3 ASN 28 -12.828 -5.633 -2.338
188 HD21 ASN 28 HD22 ASN 28 -15.346 -5.981 -2.570
189 HD22 ASN 28 HD21 ASN 28 -16.186 -4.616 -1.831
190 H ARG 29 H ARG 29 -11.510 -1.470 -2.821
191 HA ARG 29 HA ARG 29 -10.230 -0.178 -1.664
192 HB2 ARG 29 HB2 ARG 29 -11.253 0.596 0.431
193 HB3 ARG 29 HB3 ARG 29 -12.402 0.369 -0.872
194 HG2 ARG 29 HG2 ARG 29 -13.170 -1.724 0.104
195 HG3 ARG 29 HG3 ARG 29 -11.867 -1.722 1.313
196 HD2 ARG 29 HD2 ARG 29 -12.746 0.233 2.362
197 HD3 ARG 29 HD3 ARG 29 -13.938 0.487 1.055
198 HE ARG 29 HE ARG 29 -14.383 -2.106 1.998
199 HH11 ARG 29 HH11 ARG 29 -14.824 1.104 3.403
200 HH12 ARG 29 HH12 ARG 29 -16.132 0.532 4.426
201 HH21 ARG 29 HH21 ARG 29 -15.883 -2.717 3.300
202 HH22 ARG 29 HH22 ARG 29 -16.773 -1.601 4.332
203 H LYS 30 H LYS 30 -9.778 -3.279 -0.397
204 HA LYS 30 HA LYS 30 -7.606 -2.371 1.386
205 HB2 LYS 30 HB2 LYS 30 -8.609 -5.106 0.541
206 HB3 LYS 30 HB3 LYS 30 -7.138 -4.904 1.484
207 HG2 LYS 30 HG2 LYS 30 -9.887 -3.945 2.355
208 HG3 LYS 30 HG3 LYS 30 -9.073 -5.423 2.889
209 HD2 LYS 30 HD2 LYS 30 -7.168 -3.934 3.736
210 HD3 LYS 30 HD3 LYS 30 -8.237 -2.539 3.475
211 HE2 LYS 30 HE2 LYS 30 -9.887 -3.438 5.001
212 HE3 LYS 30 HE3 LYS 30 -9.027 -4.965 5.115
213 HZ1 LYS 30 HZ1 LYS 30 -8.592 -3.587 7.045
214 HZ2 LYS 30 HZ2 LYS 30 -7.213 -3.845 6.256
215 HZ3 LYS 30 HZ3 LYS 30 -7.976 -2.377 6.150
216 H CYS 31 H CYS 31 -5.454 -3.609 1.049
217 HA CYS 31 HA CYS 31 -4.617 -3.766 -1.777
218 HB2 CYS 31 HB2 CYS 31 -4.244 -1.401 -0.612
219 HB3 CYS 31 HB3 CYS 31 -2.891 -2.218 0.157
220 H LYS 32 H LYS 32 -2.570 -4.866 -2.029
221 HA LYS 32 HA LYS 32 -1.544 -6.290 0.410
222 HB2 LYS 32 HB2 LYS 32 -2.651 -7.909 -1.018
223 HB3 LYS 32 HB3 LYS 32 -1.687 -7.395 -2.417
224 HG2 LYS 32 HG2 LYS 32 0.383 -8.121 -1.322
225 HG3 LYS 32 HG3 LYS 32 -0.483 -8.505 0.168
226 HD2 LYS 32 HD2 LYS 32 -1.008 -9.876 -2.504
227 HD3 LYS 32 HD3 LYS 32 0.148 -10.459 -1.298
228 HE2 LYS 32 HE2 LYS 32 -1.670 -10.614 0.390
229 HE3 LYS 32 HE3 LYS 32 -2.843 -10.071 -0.816
230 HZ1 LYS 32 HZ1 LYS 32 -1.202 -12.538 -1.025
231 HZ2 LYS 32 HZ2 LYS 32 -2.810 -12.491 -0.655
232 HZ3 LYS 32 HZ3 LYS 32 -2.297 -12.034 -2.149
233 H CYS 33 H CYS 33 0.369 -5.674 0.965
234 HA CYS 33 HA CYS 33 2.130 -4.113 -0.807
235 HB2 CYS 33 HB2 CYS 33 2.382 -4.977 2.087
236 HB3 CYS 33 HB3 CYS 33 3.450 -3.843 1.277
237 H TYR 34 H TYR 34 3.981 -4.899 -1.772
238 HA TYR 34 HA TYR 34 4.129 -7.857 -1.893
239 HB2 TYR 34 HB2 TYR 34 5.021 -5.681 -3.773
240 HB3 TYR 34 HB3 TYR 34 5.539 -7.360 -3.940
241 HD1 TYR 34 HD1 TYR 34 2.051 -7.037 -2.781
242 HD2 TYR 34 HD2 TYR 34 4.647 -7.213 -6.227
243 HE1 TYR 34 HE1 TYR 34 0.146 -7.698 -4.182
244 HE2 TYR 34 HE2 TYR 34 2.716 -7.900 -7.630
245 HH TYR 34 HH TYR 34 0.464 -8.472 -7.657
246 H TYR 35 H TYR 35 6.966 -6.182 -2.805
247 HA TYR 35 HA TYR 35 8.609 -7.959 -1.387
248 HB2 TYR 35 HB2 TYR 35 9.463 -5.405 -2.766
249 HB3 TYR 35 HB3 TYR 35 10.396 -6.877 -2.568
250 HD1 TYR 35 HD2 TYR 35 9.233 -9.072 -3.657
251 HD2 TYR 35 HD1 TYR 35 8.526 -4.991 -4.849
252 HE1 TYR 35 HE2 TYR 35 8.473 -9.846 -5.910
253 HE2 TYR 35 HE1 TYR 35 7.715 -5.769 -7.060
254 HH TYR 35 HH TYR 35 7.338 -7.533 -8.410
255 H CYS 36 H CYS 36 7.138 -6.292 0.559
256 HA CYS 36 HA CYS 36 9.281 -5.505 2.381
257 HB2 CYS 36 HB2 CYS 36 9.157 -3.577 0.943
258 HB3 CYS 36 HB3 CYS 36 7.393 -3.576 1.029
Start of MODEL 19
1 H1 ALA 1 H1 ALA 1 3.229 -4.563 5.341
2 H2 ALA 1 H2 ALA 1 3.599 -4.339 6.922
3 H3 ALA 1 H3 ALA 1 3.058 -3.064 6.024
4 HA ALA 1 HA ALA 1 1.521 -5.471 6.702
5 HB1 ALA 1 HB1 ALA 1 1.879 -4.044 8.679
6 HB2 ALA 1 HB2 ALA 1 1.264 -2.633 7.793
7 HB3 ALA 1 HB3 ALA 1 0.183 -3.996 8.161
8 H ALA 2 H ALA 2 0.201 -5.946 5.035
9 HA ALA 2 HA ALA 2 -0.545 -3.883 3.092
10 HB1 ALA 2 HB1 ALA 2 -1.115 -5.766 1.730
11 HB2 ALA 2 HB2 ALA 2 0.412 -6.126 2.524
12 HB3 ALA 2 HB3 ALA 2 -1.082 -6.877 3.124
13 H ALA 3 H ALA 3 -1.962 -5.090 5.876
14 HA ALA 3 HA ALA 3 -4.704 -5.131 5.640
15 HB1 ALA 3 HB1 ALA 3 -4.527 -4.551 8.068
16 HB2 ALA 3 HB2 ALA 3 -3.253 -5.688 7.594
17 HB3 ALA 3 HB3 ALA 3 -2.878 -3.946 7.767
18 H ILE 4 H ILE 4 -3.273 -2.538 4.432
19 HA ILE 4 HA ILE 4 -4.235 -0.338 6.032
20 HB ILE 4 HB ILE 4 -3.279 1.014 4.188
21 HG12 ILE 4 HG12 ILE 4 -2.185 -1.506 2.944
22 HG13 ILE 4 HG13 ILE 4 -3.741 -0.851 2.416
23 HG21 ILE 4 HG21 ILE 4 -0.942 0.437 4.692
24 HG22 ILE 4 HG22 ILE 4 -1.953 0.386 6.135
25 HG23 ILE 4 HG23 ILE 4 -1.460 -1.124 5.350
26 HD11 ILE 4 HD11 ILE 4 -2.023 0.015 1.004
27 HD12 ILE 4 HD12 ILE 4 -2.684 1.347 1.960
28 HD13 ILE 4 HD13 ILE 4 -1.107 0.618 2.407
29 H SER 5 H SER 5 -5.350 1.460 5.231
30 HA SER 5 HA SER 5 -7.831 0.887 3.764
31 HB2 SER 5 HB2 SER 5 -6.728 3.537 4.739
32 HB3 SER 5 HB3 SER 5 -8.377 3.190 4.170
33 HG SER 5 HG SER 5 -7.988 3.211 6.531
34 H CYS 6 H CYS 6 -7.200 0.297 1.667
35 HA CYS 6 HA CYS 6 -5.461 1.583 -0.133
36 HB2 CYS 6 HB2 CYS 6 -6.604 -0.500 -0.570
37 HB3 CYS 6 HB3 CYS 6 -8.170 0.310 -0.496
38 H VAL 7 H VAL 7 -8.772 2.581 0.730
39 HA VAL 7 HA VAL 7 -9.112 4.647 -1.203
40 HB VAL 7 HB VAL 7 -10.816 3.399 0.146
41 HG11 VAL 7 HG11 VAL 7 -9.856 3.663 2.424
42 HG12 VAL 7 HG12 VAL 7 -10.242 5.400 2.374
43 HG13 VAL 7 HG13 VAL 7 -11.534 4.194 2.315
44 HG21 VAL 7 HG21 VAL 7 -12.432 5.165 0.199
45 HG22 VAL 7 HG22 VAL 7 -11.164 6.405 0.232
46 HG23 VAL 7 HG23 VAL 7 -11.381 5.380 -1.205
47 H GLY 8 H GLY 8 -7.314 4.627 1.703
48 HA2 GLY 8 HA2 GLY 8 -7.559 6.818 3.140
49 HA3 GLY 8 HA3 GLY 8 -5.988 6.148 2.699
50 H SER 9 H SER 9 -4.715 7.103 1.082
51 HA SER 9 HA SER 9 -5.742 9.507 -0.256
52 HB2 SER 9 HB2 SER 9 -4.827 10.242 2.025
53 HB3 SER 9 HB3 SER 9 -3.224 9.963 1.376
54 HG SER 9 HG SER 9 -3.431 11.701 0.164
55 HA PRO 10 HA PRO 10 -1.957 7.916 -2.632
56 HB2 PRO 10 HB2 PRO 10 -0.078 6.323 -1.562
57 HB3 PRO 10 HB3 PRO 10 -0.083 8.081 -1.193
58 HG2 PRO 10 HG2 PRO 10 -1.318 5.829 0.421
59 HG3 PRO 10 HG3 PRO 10 -0.132 7.019 1.034
60 HD2 PRO 10 HD2 PRO 10 -2.815 7.391 1.362
61 HD3 PRO 10 HD3 PRO 10 -1.707 8.751 0.954
62 H GLU 11 H GLU 11 -1.423 5.655 -3.633
63 HA GLU 11 HA GLU 11 -3.577 3.770 -3.281
64 HB2 GLU 11 HB2 GLU 11 -0.922 3.132 -4.633
65 HB3 GLU 11 HB3 GLU 11 -2.483 2.365 -4.825
66 HG2 GLU 11 HG2 GLU 11 -2.555 3.601 -6.701
67 HG3 GLU 11 HG3 GLU 11 -3.191 4.842 -5.635
68 H CYS 12 H CYS 12 -0.079 2.944 -2.738
69 HA CYS 12 HA CYS 12 -0.806 1.644 -0.196
70 HB2 CYS 12 HB2 CYS 12 -1.698 0.101 -1.772
71 HB3 CYS 12 HB3 CYS 12 -0.199 -0.002 -2.661
72 HA PRO 13 HA PRO 13 3.934 0.625 -0.833
73 HB2 PRO 13 HB2 PRO 13 4.831 2.943 -2.476
74 HB3 PRO 13 HB3 PRO 13 5.347 1.252 -2.521
75 HG2 PRO 13 HG2 PRO 13 3.568 2.488 -4.319
76 HG3 PRO 13 HG3 PRO 13 3.758 0.733 -4.092
77 HD2 PRO 13 HD2 PRO 13 1.490 2.356 -3.376
78 HD3 PRO 13 HD3 PRO 13 1.694 0.610 -3.279
79 HA PRO 14 HA PRO 14 5.013 4.738 1.277
80 HB2 PRO 14 HB2 PRO 14 3.539 6.998 1.092
81 HB3 PRO 14 HB3 PRO 14 4.664 6.496 -0.200
82 HG2 PRO 14 HG2 PRO 14 1.687 5.996 -0.031
83 HG3 PRO 14 HG3 PRO 14 2.594 6.714 -1.409
84 HD2 PRO 14 HD2 PRO 14 1.912 4.073 -1.319
85 HD3 PRO 14 HD3 PRO 14 3.462 4.626 -2.024
86 H LYS 15 H LYS 15 1.879 3.373 1.349
87 HA LYS 15 HA LYS 15 1.233 4.362 4.086
88 HB2 LYS 15 HB2 LYS 15 -0.371 4.630 2.124
89 HB3 LYS 15 HB3 LYS 15 -0.626 2.884 2.204
90 HG2 LYS 15 HG2 LYS 15 -1.276 3.256 4.678
91 HG3 LYS 15 HG3 LYS 15 -1.180 4.980 4.340
92 HD2 LYS 15 HD2 LYS 15 -3.208 2.982 3.317
93 HD3 LYS 15 HD3 LYS 15 -3.452 4.400 4.298
94 HE2 LYS 15 HE2 LYS 15 -4.007 5.510 2.489
95 HE3 LYS 15 HE3 LYS 15 -2.326 5.468 1.997
96 HZ1 LYS 15 HZ1 LYS 15 -2.887 3.377 0.734
97 HZ2 LYS 15 HZ2 LYS 15 -4.449 3.515 1.264
98 HZ3 LYS 15 HZ3 LYS 15 -3.789 4.603 0.229
99 H CYS 16 H CYS 16 2.073 1.449 2.305
100 HA CYS 16 HA CYS 16 1.124 -0.555 4.009
101 HB2 CYS 16 HB2 CYS 16 1.947 -0.806 1.684
102 HB3 CYS 16 HB3 CYS 16 3.607 -0.659 2.249
103 H ARG 17 H ARG 17 3.753 1.578 4.708
104 HA ARG 17 HA ARG 17 3.768 0.552 7.392
105 HB2 ARG 17 HB2 ARG 17 6.065 0.259 7.720
106 HB3 ARG 17 HB3 ARG 17 5.622 -0.761 6.339
107 HG2 ARG 17 HG2 ARG 17 6.496 1.124 4.838
108 HG3 ARG 17 HG3 ARG 17 7.111 1.904 6.305
109 HD2 ARG 17 HD2 ARG 17 7.919 -0.768 5.127
110 HD3 ARG 17 HD3 ARG 17 8.890 0.706 5.294
111 HE ARG 17 HE ARG 17 7.857 -0.774 7.676
112 HH11 ARG 17 HH11 ARG 17 10.779 0.474 6.086
113 HH12 ARG 17 HH12 ARG 17 11.716 0.083 7.521
114 HH21 ARG 17 HH21 ARG 17 9.115 -1.320 9.231
115 HH22 ARG 17 HH22 ARG 17 10.864 -1.117 9.143
116 H ALA 18 H ALA 18 4.967 2.010 8.853
117 HA ALA 18 HA ALA 18 3.874 4.566 8.667
118 HB1 ALA 18 HB1 ALA 18 5.101 4.939 10.752
119 HB2 ALA 18 HB2 ALA 18 4.499 3.275 10.697
120 HB3 ALA 18 HB3 ALA 18 6.207 3.597 10.360
121 H GLN 19 H GLN 19 7.080 3.571 7.655
122 HA GLN 19 HA GLN 19 7.820 6.341 6.822
123 HB2 GLN 19 HB2 GLN 19 10.095 5.552 6.863
124 HB3 GLN 19 HB3 GLN 19 9.315 5.377 8.430
125 HG2 GLN 19 HG2 GLN 19 9.340 2.993 6.553
126 HG3 GLN 19 HG3 GLN 19 10.801 3.514 7.342
127 HE21 GLN 19 HE22 GLN 19 11.237 2.755 9.396
128 HE22 GLN 19 HE21 GLN 19 10.057 1.926 10.385
129 H GLY 20 H GLY 20 6.263 3.957 5.362
130 HA2 GLY 20 HA2 GLY 20 5.891 3.304 3.232
131 HA3 GLY 20 HA3 GLY 20 6.857 4.681 2.674
132 H CYS 21 H CYS 21 6.631 2.177 1.373
133 HA CYS 21 HA CYS 21 9.424 1.237 1.285
134 HB2 CYS 21 HB2 CYS 21 8.787 -1.080 1.842
135 HB3 CYS 21 HB3 CYS 21 8.562 0.021 3.163
136 H LYS 22 H LYS 22 8.872 -1.182 0.052
137 HA LYS 22 HA LYS 22 8.800 -0.528 -2.683
138 HB2 LYS 22 HB2 LYS 22 8.456 -3.322 -1.579
139 HB3 LYS 22 HB3 LYS 22 9.285 -2.804 -3.047
140 HG2 LYS 22 HG2 LYS 22 10.965 -1.598 -1.484
141 HG3 LYS 22 HG3 LYS 22 10.193 -2.528 -0.174
142 HD2 LYS 22 HD2 LYS 22 10.657 -4.598 -1.625
143 HD3 LYS 22 HD3 LYS 22 11.722 -3.562 -2.570
144 HE2 LYS 22 HE2 LYS 22 13.151 -4.593 -1.012
145 HE3 LYS 22 HE3 LYS 22 12.877 -2.983 -0.347
146 HZ1 LYS 22 HZ1 LYS 22 11.193 -4.005 1.144
147 HZ2 LYS 22 HZ2 LYS 22 11.522 -5.494 0.507
148 HZ3 LYS 22 HZ3 LYS 22 12.665 -4.660 1.359
149 H ASN 23 H ASN 23 7.566 -1.997 -4.310
150 HA ASN 23 HA ASN 23 5.028 -0.807 -4.314
151 HB2 ASN 23 HB2 ASN 23 6.422 -2.658 -6.219
152 HB3 ASN 23 HB3 ASN 23 4.717 -2.325 -6.446
153 HD21 ASN 23 HD22 ASN 23 5.582 -1.423 -8.526
154 HD22 ASN 23 HD21 ASN 23 6.074 0.268 -8.481
155 H GLY 24 H GLY 24 2.974 -1.523 -4.697
156 HA2 GLY 24 HA2 GLY 24 2.014 -4.125 -3.895
157 HA3 GLY 24 HA3 GLY 24 1.785 -2.917 -2.620
158 H LYS 25 H LYS 25 -0.219 -4.368 -4.203
159 HA LYS 25 HA LYS 25 -1.518 -2.181 -5.807
160 HB2 LYS 25 HB2 LYS 25 -0.412 -3.963 -7.088
161 HB3 LYS 25 HB3 LYS 25 -1.449 -5.181 -6.315
162 HG2 LYS 25 HG2 LYS 25 -3.414 -3.971 -7.362
163 HG3 LYS 25 HG3 LYS 25 -2.247 -2.930 -8.204
164 HD2 LYS 25 HD2 LYS 25 -2.429 -5.969 -8.430
165 HD3 LYS 25 HD3 LYS 25 -3.124 -4.847 -9.590
166 HE2 LYS 25 HE2 LYS 25 -0.144 -5.046 -8.959
167 HE3 LYS 25 HE3 LYS 25 -0.943 -5.896 -10.273
168 HZ1 LYS 25 HZ1 LYS 25 -0.775 -2.943 -10.016
169 HZ2 LYS 25 HZ2 LYS 25 0.030 -3.877 -11.090
170 HZ3 LYS 25 HZ3 LYS 25 -1.597 -3.751 -11.206
171 H CYS 26 H CYS 26 -3.800 -1.981 -5.731
172 HA CYS 26 HA CYS 26 -4.936 -2.882 -3.201
173 HB2 CYS 26 HB2 CYS 26 -5.180 -0.614 -4.107
174 HB3 CYS 26 HB3 CYS 26 -6.153 -1.249 -5.419
175 H MET 27 H MET 27 -6.514 -4.266 -2.798
176 HA MET 27 HA MET 27 -7.376 -6.190 -4.897
177 HB2 MET 27 HB2 MET 27 -6.238 -7.006 -2.877
178 HB3 MET 27 HB3 MET 27 -7.521 -6.386 -1.857
179 HG2 MET 27 HG2 MET 27 -8.162 -8.302 -4.110
180 HG3 MET 27 HG3 MET 27 -7.393 -8.918 -2.670
181 HE1 MET 27 HE1 MET 27 -10.021 -8.563 0.129
182 HE2 MET 27 HE2 MET 27 -8.519 -9.365 -0.386
183 HE3 MET 27 HE3 MET 27 -8.571 -7.598 -0.198
184 H ASN 28 H ASN 28 -9.452 -5.751 -2.138
185 HA ASN 28 HA ASN 28 -11.516 -4.398 -3.753
186 HB2 ASN 28 HB2 ASN 28 -13.009 -4.910 -1.886
187 HB3 ASN 28 HB3 ASN 28 -12.237 -6.344 -2.527
188 HD21 ASN 28 HD22 ASN 28 -13.470 -6.533 -0.125
189 HD22 ASN 28 HD21 ASN 28 -12.268 -6.626 1.168
190 H ARG 29 H ARG 29 -10.772 -3.847 -0.354
191 HA ARG 29 HA ARG 29 -9.906 -1.063 -0.893
192 HB2 ARG 29 HB2 ARG 29 -11.074 -0.257 1.045
193 HB3 ARG 29 HB3 ARG 29 -12.206 -0.982 -0.093
194 HG2 ARG 29 HG2 ARG 29 -12.323 -3.040 1.314
195 HG3 ARG 29 HG3 ARG 29 -11.140 -2.338 2.422
196 HD2 ARG 29 HD2 ARG 29 -13.217 -1.913 3.457
197 HD3 ARG 29 HD3 ARG 29 -12.753 -0.377 2.727
198 HE ARG 29 HE ARG 29 -14.504 -0.527 1.190
199 HH11 ARG 29 HH11 ARG 29 -14.377 -3.660 2.879
200 HH12 ARG 29 HH12 ARG 29 -16.050 -3.957 2.446
201 HH21 ARG 29 HH21 ARG 29 -16.429 -1.118 0.584
202 HH22 ARG 29 HH22 ARG 29 -17.072 -2.717 0.970
203 H LYS 30 H LYS 30 -8.918 -3.971 0.091
204 HA LYS 30 HA LYS 30 -6.841 -2.989 2.013
205 HB2 LYS 30 HB2 LYS 30 -7.508 -5.823 1.110
206 HB3 LYS 30 HB3 LYS 30 -6.325 -5.360 2.331
207 HG2 LYS 30 HG2 LYS 30 -8.244 -4.359 3.683
208 HG3 LYS 30 HG3 LYS 30 -9.356 -5.045 2.487
209 HD2 LYS 30 HD2 LYS 30 -9.312 -6.654 4.201
210 HD3 LYS 30 HD3 LYS 30 -8.240 -7.312 2.948
211 HE2 LYS 30 HE2 LYS 30 -6.308 -6.186 4.284
212 HE3 LYS 30 HE3 LYS 30 -7.501 -5.955 5.574
213 HZ1 LYS 30 HZ1 LYS 30 -7.832 -8.445 5.441
214 HZ2 LYS 30 HZ2 LYS 30 -6.541 -8.506 4.438
215 HZ3 LYS 30 HZ3 LYS 30 -6.338 -7.958 5.967
216 H CYS 31 H CYS 31 -4.591 -3.992 1.518
217 HA CYS 31 HA CYS 31 -4.026 -3.813 -1.418
218 HB2 CYS 31 HB2 CYS 31 -3.170 -1.900 -0.101
219 HB3 CYS 31 HB3 CYS 31 -2.267 -3.009 0.921
220 H LYS 32 H LYS 32 -2.260 -5.056 -2.210
221 HA LYS 32 HA LYS 32 -1.336 -7.387 -0.609
222 HB2 LYS 32 HB2 LYS 32 -2.806 -7.776 -2.743
223 HB3 LYS 32 HB3 LYS 32 -1.394 -7.274 -3.663
224 HG2 LYS 32 HG2 LYS 32 -1.555 -9.554 -1.651
225 HG3 LYS 32 HG3 LYS 32 -1.651 -9.739 -3.395
226 HD2 LYS 32 HD2 LYS 32 0.595 -9.639 -3.713
227 HD3 LYS 32 HD3 LYS 32 0.861 -8.430 -2.461
228 HE2 LYS 32 HE2 LYS 32 0.307 -10.198 -0.751
229 HE3 LYS 32 HE3 LYS 32 0.373 -11.399 -2.046
230 HZ1 LYS 32 HZ1 LYS 32 2.624 -9.600 -1.268
231 HZ2 LYS 32 HZ2 LYS 32 2.512 -11.139 -0.816
232 HZ3 LYS 32 HZ3 LYS 32 2.718 -10.814 -2.393
233 H CYS 33 H CYS 33 0.653 -6.693 0.162
234 HA CYS 33 HA CYS 33 2.280 -4.802 -1.473
235 HB2 CYS 33 HB2 CYS 33 2.732 -5.811 1.345
236 HB3 CYS 33 HB3 CYS 33 3.759 -4.674 0.476
237 H TYR 34 H TYR 34 3.774 -5.553 -2.880
238 HA TYR 34 HA TYR 34 4.031 -8.468 -3.132
239 HB2 TYR 34 HB2 TYR 34 4.941 -6.115 -4.823
240 HB3 TYR 34 HB3 TYR 34 5.291 -7.777 -5.229
241 HD1 TYR 34 HD1 TYR 34 3.144 -9.416 -5.101
242 HD2 TYR 34 HD2 TYR 34 3.074 -5.193 -5.994
243 HE1 TYR 34 HE1 TYR 34 0.975 -9.709 -6.304
244 HE2 TYR 34 HE2 TYR 34 0.988 -5.522 -7.265
245 HH TYR 34 HH TYR 34 -0.770 -8.632 -7.404
246 H TYR 35 H TYR 35 6.247 -5.781 -2.495
247 HA TYR 35 HA TYR 35 8.376 -7.779 -1.783
248 HB2 TYR 35 HB2 TYR 35 8.646 -5.198 -3.330
249 HB3 TYR 35 HB3 TYR 35 9.983 -6.245 -2.825
250 HD1 TYR 35 HD2 TYR 35 9.904 -8.734 -3.492
251 HD2 TYR 35 HD1 TYR 35 7.649 -5.632 -5.477
252 HE1 TYR 35 HE2 TYR 35 9.566 -10.231 -5.426
253 HE2 TYR 35 HE1 TYR 35 7.306 -7.142 -7.430
254 HH TYR 35 HH TYR 35 8.589 -10.509 -7.467
255 H CYS 36 H CYS 36 6.479 -5.630 -0.269
256 HA CYS 36 HA CYS 36 8.513 -5.080 1.850
257 HB2 CYS 36 HB2 CYS 36 7.924 -3.016 0.945
258 HB3 CYS 36 HB3 CYS 36 6.230 -3.444 0.743
Start of MODEL 20
1 H1 ALA 1 H1 ALA 1 4.317 -3.554 5.633
2 H2 ALA 1 H2 ALA 1 4.866 -4.537 4.414
3 H3 ALA 1 H3 ALA 1 4.493 -5.172 5.898
4 HA ALA 1 HA ALA 1 2.545 -3.907 4.097
5 HB1 ALA 1 HB1 ALA 1 2.970 -6.856 4.768
6 HB2 ALA 1 HB2 ALA 1 1.668 -6.193 3.760
7 HB3 ALA 1 HB3 ALA 1 3.350 -6.070 3.222
8 H ALA 2 H ALA 2 0.365 -3.749 4.957
9 HA ALA 2 HA ALA 2 -0.256 -4.881 7.541
10 HB1 ALA 2 HB1 ALA 2 -0.702 -2.697 8.646
11 HB2 ALA 2 HB2 ALA 2 1.023 -2.884 8.286
12 HB3 ALA 2 HB3 ALA 2 0.011 -1.843 7.258
13 H ALA 3 H ALA 3 -2.531 -4.859 7.874
14 HA ALA 3 HA ALA 3 -4.185 -4.581 5.561
15 HB1 ALA 3 HB1 ALA 3 -6.013 -5.025 7.150
16 HB2 ALA 3 HB2 ALA 3 -4.661 -6.166 7.323
17 HB3 ALA 3 HB3 ALA 3 -4.873 -4.847 8.501
18 H ILE 4 H ILE 4 -4.444 -2.578 4.621
19 HA ILE 4 HA ILE 4 -5.787 -0.470 6.244
20 HB ILE 4 HB ILE 4 -4.394 1.271 5.215
21 HG12 ILE 4 HG12 ILE 4 -2.853 -1.072 4.071
22 HG13 ILE 4 HG13 ILE 4 -3.629 0.281 3.231
23 HG21 ILE 4 HG21 ILE 4 -2.540 1.134 6.701
24 HG22 ILE 4 HG22 ILE 4 -3.924 0.375 7.510
25 HG23 ILE 4 HG23 ILE 4 -2.649 -0.639 6.781
26 HD11 ILE 4 HD11 ILE 4 -1.259 0.603 3.247
27 HD12 ILE 4 HD12 ILE 4 -1.955 1.788 4.382
28 HD13 ILE 4 HD13 ILE 4 -1.145 0.312 4.990
29 H SER 5 H SER 5 -6.747 1.236 5.052
30 HA SER 5 HA SER 5 -8.273 0.374 2.825
31 HB2 SER 5 HB2 SER 5 -9.038 2.767 2.759
32 HB3 SER 5 HB3 SER 5 -9.254 1.904 4.271
33 HG SER 5 HG SER 5 -8.493 3.893 4.722
34 H CYS 6 H CYS 6 -7.725 0.073 0.895
35 HA CYS 6 HA CYS 6 -5.645 0.851 -0.766
36 HB2 CYS 6 HB2 CYS 6 -7.394 -0.682 -1.450
37 HB3 CYS 6 HB3 CYS 6 -8.620 0.599 -1.301
38 H VAL 7 H VAL 7 -8.649 2.732 -0.181
39 HA VAL 7 HA VAL 7 -7.931 4.942 -1.890
40 HB VAL 7 HB VAL 7 -9.963 4.702 0.363
41 HG11 VAL 7 HG11 VAL 7 -11.021 6.714 -0.641
42 HG12 VAL 7 HG12 VAL 7 -9.434 7.091 0.020
43 HG13 VAL 7 HG13 VAL 7 -9.631 6.896 -1.733
44 HG21 VAL 7 HG21 VAL 7 -10.260 4.651 -2.681
45 HG22 VAL 7 HG22 VAL 7 -10.404 3.241 -1.624
46 HG23 VAL 7 HG23 VAL 7 -11.585 4.547 -1.502
47 H GLY 8 H GLY 8 -8.103 4.821 1.700
48 HA2 GLY 8 HA2 GLY 8 -7.046 6.148 3.312
49 HA3 GLY 8 HA3 GLY 8 -5.611 5.647 2.430
50 H SER 9 H SER 9 -4.253 7.170 2.125
51 HA SER 9 HA SER 9 -5.279 9.794 1.021
52 HB2 SER 9 HB2 SER 9 -4.569 10.353 3.141
53 HB3 SER 9 HB3 SER 9 -3.180 9.277 3.088
54 HG SER 9 HG SER 9 -3.289 11.865 2.413
55 HA PRO 10 HA PRO 10 -1.600 8.698 -1.776
56 HB2 PRO 10 HB2 PRO 10 0.293 6.943 -1.124
57 HB3 PRO 10 HB3 PRO 10 0.296 8.578 -0.384
58 HG2 PRO 10 HG2 PRO 10 -0.867 6.033 0.813
59 HG3 PRO 10 HG3 PRO 10 0.308 7.155 1.577
60 HD2 PRO 10 HD2 PRO 10 -2.397 7.269 1.989
61 HD3 PRO 10 HD3 PRO 10 -1.378 8.749 1.914
62 H GLU 11 H GLU 11 -0.773 6.501 -3.043
63 HA GLU 11 HA GLU 11 -3.151 4.916 -3.505
64 HB2 GLU 11 HB2 GLU 11 -0.376 4.944 -4.685
65 HB3 GLU 11 HB3 GLU 11 -1.564 3.730 -5.157
66 HG2 GLU 11 HG2 GLU 11 -2.914 5.200 -6.261
67 HG3 GLU 11 HG3 GLU 11 -2.608 6.521 -5.147
68 H CYS 12 H CYS 12 0.057 3.327 -2.849
69 HA CYS 12 HA CYS 12 -1.203 1.848 -0.637
70 HB2 CYS 12 HB2 CYS 12 -2.146 0.602 -2.414
71 HB3 CYS 12 HB3 CYS 12 -0.629 0.451 -3.249
72 HA PRO 13 HA PRO 13 3.223 0.197 -0.626
73 HB2 PRO 13 HB2 PRO 13 5.163 1.215 -2.292
74 HB3 PRO 13 HB3 PRO 13 4.128 -0.202 -2.612
75 HG2 PRO 13 HG2 PRO 13 3.761 2.591 -3.648
76 HG3 PRO 13 HG3 PRO 13 3.600 1.032 -4.503
77 HD2 PRO 13 HD2 PRO 13 1.456 2.383 -3.545
78 HD3 PRO 13 HD3 PRO 13 1.516 0.601 -3.594
79 HA PRO 14 HA PRO 14 5.002 4.229 0.954
80 HB2 PRO 14 HB2 PRO 14 3.882 6.658 0.692
81 HB3 PRO 14 HB3 PRO 14 4.807 5.918 -0.660
82 HG2 PRO 14 HG2 PRO 14 1.816 5.797 -0.174
83 HG3 PRO 14 HG3 PRO 14 2.642 6.375 -1.670
84 HD2 PRO 14 HD2 PRO 14 1.683 3.865 -1.390
85 HD3 PRO 14 HD3 PRO 14 3.224 4.168 -2.255
86 H LYS 15 H LYS 15 1.783 3.184 1.237
87 HA LYS 15 HA LYS 15 1.633 4.086 4.097
88 HB2 LYS 15 HB2 LYS 15 -0.716 3.754 4.054
89 HB3 LYS 15 HB3 LYS 15 -0.223 5.004 2.920
90 HG2 LYS 15 HG2 LYS 15 -0.785 3.674 1.017
91 HG3 LYS 15 HG3 LYS 15 -0.759 2.196 1.951
92 HD2 LYS 15 HD2 LYS 15 -3.022 2.384 1.887
93 HD3 LYS 15 HD3 LYS 15 -2.764 3.394 3.295
94 HE2 LYS 15 HE2 LYS 15 -3.933 4.920 2.327
95 HE3 LYS 15 HE3 LYS 15 -2.521 5.272 1.338
96 HZ1 LYS 15 HZ1 LYS 15 -3.435 3.653 -0.304
97 HZ2 LYS 15 HZ2 LYS 15 -4.804 3.522 0.612
98 HZ3 LYS 15 HZ3 LYS 15 -4.356 4.941 -0.129
99 H CYS 16 H CYS 16 2.180 1.336 2.149
100 HA CYS 16 HA CYS 16 1.065 -0.629 3.831
101 HB2 CYS 16 HB2 CYS 16 1.613 -1.977 2.202
102 HB3 CYS 16 HB3 CYS 16 2.184 -0.562 1.343
103 H ARG 17 H ARG 17 3.688 1.273 4.584
104 HA ARG 17 HA ARG 17 4.136 -0.218 7.081
105 HB2 ARG 17 HB2 ARG 17 6.476 1.140 5.658
106 HB3 ARG 17 HB3 ARG 17 6.488 0.206 7.156
107 HG2 ARG 17 HG2 ARG 17 5.657 -1.757 5.740
108 HG3 ARG 17 HG3 ARG 17 6.099 -0.759 4.321
109 HD2 ARG 17 HD2 ARG 17 8.403 -0.747 4.965
110 HD3 ARG 17 HD3 ARG 17 8.031 -1.358 6.585
111 HE ARG 17 HE ARG 17 7.239 -3.105 4.326
112 HH11 ARG 17 HH11 ARG 17 9.887 -2.610 6.608
113 HH12 ARG 17 HH12 ARG 17 9.959 -4.321 6.981
114 HH21 ARG 17 HH21 ARG 17 7.604 -5.167 4.609
115 HH22 ARG 17 HH22 ARG 17 8.772 -5.768 5.787
116 H ALA 18 H ALA 18 4.965 1.265 8.772
117 HA ALA 18 HA ALA 18 3.604 3.679 9.057
118 HB1 ALA 18 HB1 ALA 18 6.267 2.825 10.280
119 HB2 ALA 18 HB2 ALA 18 5.179 4.075 10.923
120 HB3 ALA 18 HB3 ALA 18 4.648 2.384 10.873
121 H GLN 19 H GLN 19 6.653 3.225 7.330
122 HA GLN 19 HA GLN 19 6.618 6.110 6.529
123 HB2 GLN 19 HB2 GLN 19 9.008 6.080 6.424
124 HB3 GLN 19 HB3 GLN 19 8.419 5.773 8.053
125 HG2 GLN 19 HG2 GLN 19 9.264 3.528 6.162
126 HG3 GLN 19 HG3 GLN 19 10.367 4.398 7.209
127 HE21 GLN 19 HE22 GLN 19 10.011 4.305 9.591
128 HE22 GLN 19 HE21 GLN 19 9.165 2.929 10.271
129 H GLY 20 H GLY 20 5.983 3.142 5.351
130 HA2 GLY 20 HA2 GLY 20 5.735 2.198 3.318
131 HA3 GLY 20 HA3 GLY 20 6.146 3.765 2.582
132 H CYS 21 H CYS 21 6.709 1.676 1.163
133 HA CYS 21 HA CYS 21 9.603 1.201 0.998
134 HB2 CYS 21 HB2 CYS 21 8.753 -0.135 2.978
135 HB3 CYS 21 HB3 CYS 21 7.814 -1.073 1.837
136 H LYS 22 H LYS 22 9.187 -1.374 -0.304
137 HA LYS 22 HA LYS 22 8.851 -0.530 -2.989
138 HB2 LYS 22 HB2 LYS 22 8.810 -3.421 -2.082
139 HB3 LYS 22 HB3 LYS 22 9.386 -2.766 -3.611
140 HG2 LYS 22 HG2 LYS 22 11.270 -1.637 -2.350
141 HG3 LYS 22 HG3 LYS 22 10.713 -2.489 -0.898
142 HD2 LYS 22 HD2 LYS 22 10.883 -4.642 -2.457
143 HD3 LYS 22 HD3 LYS 22 11.945 -3.610 -3.418
144 HE2 LYS 22 HE2 LYS 22 13.377 -4.798 -1.937
145 HE3 LYS 22 HE3 LYS 22 13.261 -3.169 -1.265
146 HZ1 LYS 22 HZ1 LYS 22 11.500 -4.095 0.241
147 HZ2 LYS 22 HZ2 LYS 22 11.855 -5.615 -0.337
148 HZ3 LYS 22 HZ3 LYS 22 12.998 -4.780 0.461
149 H ASN 23 H ASN 23 7.657 -2.135 -4.507
150 HA ASN 23 HA ASN 23 5.265 -1.019 -4.979
151 HB2 ASN 23 HB2 ASN 23 5.905 -3.873 -5.824
152 HB3 ASN 23 HB3 ASN 23 4.842 -2.745 -6.635
153 HD21 ASN 23 HD22 ASN 23 5.768 -2.363 -8.626
154 HD22 ASN 23 HD21 ASN 23 7.459 -1.929 -8.828
155 H GLY 24 H GLY 24 3.118 -1.401 -4.904
156 HA2 GLY 24 HA2 GLY 24 1.951 -3.856 -3.907
157 HA3 GLY 24 HA3 GLY 24 1.665 -2.494 -2.823
158 H LYS 25 H LYS 25 -0.443 -3.728 -3.864
159 HA LYS 25 HA LYS 25 -1.708 -1.824 -5.776
160 HB2 LYS 25 HB2 LYS 25 -1.449 -4.848 -6.096
161 HB3 LYS 25 HB3 LYS 25 -2.656 -3.924 -6.951
162 HG2 LYS 25 HG2 LYS 25 0.348 -3.590 -7.292
163 HG3 LYS 25 HG3 LYS 25 -0.766 -4.411 -8.391
164 HD2 LYS 25 HD2 LYS 25 -2.010 -2.221 -8.632
165 HD3 LYS 25 HD3 LYS 25 -0.675 -1.444 -7.752
166 HE2 LYS 25 HE2 LYS 25 0.905 -2.268 -9.485
167 HE3 LYS 25 HE3 LYS 25 -0.439 -3.006 -10.368
168 HZ1 LYS 25 HZ1 LYS 25 0.104 -0.808 -11.251
169 HZ2 LYS 25 HZ2 LYS 25 -1.414 -0.759 -10.571
170 HZ3 LYS 25 HZ3 LYS 25 -0.132 -0.106 -9.806
171 H CYS 26 H CYS 26 -4.064 -2.201 -5.922
172 HA CYS 26 HA CYS 26 -5.171 -2.953 -3.276
173 HB2 CYS 26 HB2 CYS 26 -6.399 -1.450 -5.598
174 HB3 CYS 26 HB3 CYS 26 -7.212 -1.856 -4.091
175 H MET 27 H MET 27 -6.535 -4.587 -2.936
176 HA MET 27 HA MET 27 -8.131 -5.685 -5.155
177 HB2 MET 27 HB2 MET 27 -6.132 -7.156 -5.094
178 HB3 MET 27 HB3 MET 27 -6.413 -7.485 -3.385
179 HG2 MET 27 HG2 MET 27 -7.249 -9.305 -4.837
180 HG3 MET 27 HG3 MET 27 -8.524 -8.580 -3.872
181 HE1 MET 27 HE1 MET 27 -6.930 -8.993 -7.412
182 HE2 MET 27 HE2 MET 27 -8.000 -8.039 -8.457
183 HE3 MET 27 HE3 MET 27 -6.916 -7.214 -7.321
184 H ASN 28 H ASN 28 -10.196 -5.948 -4.485
185 HA ASN 28 HA ASN 28 -12.002 -5.576 -3.190
186 HB2 ASN 28 HB2 ASN 28 -11.494 -7.937 -2.638
187 HB3 ASN 28 HB3 ASN 28 -10.549 -7.403 -1.248
188 HD21 ASN 28 HD22 ASN 28 -11.711 -8.060 0.498
189 HD22 ASN 28 HD21 ASN 28 -13.468 -7.906 0.633
190 H ARG 29 H ARG 29 -10.420 -3.477 -3.177
191 HA ARG 29 HA ARG 29 -9.400 -1.764 -2.251
192 HB2 ARG 29 HB2 ARG 29 -10.876 -0.276 -0.999
193 HB3 ARG 29 HB3 ARG 29 -11.557 -0.984 -2.453
194 HG2 ARG 29 HG2 ARG 29 -12.881 -2.574 -1.175
195 HG3 ARG 29 HG3 ARG 29 -12.134 -2.017 0.343
196 HD2 ARG 29 HD2 ARG 29 -13.127 0.190 0.078
197 HD3 ARG 29 HD3 ARG 29 -13.624 -0.185 -1.580
198 HE ARG 29 HE ARG 29 -14.824 -2.133 0.025
199 HH11 ARG 29 HH11 ARG 29 -15.177 1.283 -0.613
200 HH12 ARG 29 HH12 ARG 29 -16.916 1.195 -0.484
201 HH21 ARG 29 HH21 ARG 29 -16.977 -2.110 0.391
202 HH22 ARG 29 HH22 ARG 29 -17.846 -0.586 0.527
203 H LYS 30 H LYS 30 -8.542 -4.169 -0.770
204 HA LYS 30 HA LYS 30 -7.274 -2.698 1.520
205 HB2 LYS 30 HB2 LYS 30 -7.462 -5.635 0.753
206 HB3 LYS 30 HB3 LYS 30 -6.353 -5.054 1.983
207 HG2 LYS 30 HG2 LYS 30 -9.376 -4.657 2.082
208 HG3 LYS 30 HG3 LYS 30 -8.479 -5.952 2.900
209 HD2 LYS 30 HD2 LYS 30 -7.126 -4.147 4.082
210 HD3 LYS 30 HD3 LYS 30 -8.275 -2.955 3.461
211 HE2 LYS 30 HE2 LYS 30 -9.018 -5.390 5.126
212 HE3 LYS 30 HE3 LYS 30 -8.709 -3.777 5.790
213 HZ1 LYS 30 HZ1 LYS 30 -10.575 -2.970 4.361
214 HZ2 LYS 30 HZ2 LYS 30 -10.905 -4.533 3.959
215 HZ3 LYS 30 HZ3 LYS 30 -11.055 -4.031 5.504
216 H CYS 31 H CYS 31 -5.097 -2.444 1.640
217 HA CYS 31 HA CYS 31 -3.682 -2.263 -0.984
218 HB2 CYS 31 HB2 CYS 31 -3.590 -0.307 0.416
219 HB3 CYS 31 HB3 CYS 31 -3.185 -1.276 1.807
220 H LYS 32 H LYS 32 -2.877 -4.190 -1.619
221 HA LYS 32 HA LYS 32 -1.526 -6.008 0.317
222 HB2 LYS 32 HB2 LYS 32 -3.147 -6.972 -1.225
223 HB3 LYS 32 HB3 LYS 32 -2.264 -6.349 -2.618
224 HG2 LYS 32 HG2 LYS 32 -0.337 -7.737 -2.138
225 HG3 LYS 32 HG3 LYS 32 -1.024 -8.272 -0.595
226 HD2 LYS 32 HD2 LYS 32 -2.303 -8.828 -3.294
227 HD3 LYS 32 HD3 LYS 32 -1.193 -9.939 -2.491
228 HE2 LYS 32 HE2 LYS 32 -2.664 -10.190 -0.581
229 HE3 LYS 32 HE3 LYS 32 -3.736 -8.906 -1.171
230 HZ1 LYS 32 HZ1 LYS 32 -4.210 -10.305 -3.116
231 HZ2 LYS 32 HZ2 LYS 32 -3.318 -11.518 -2.511
232 HZ3 LYS 32 HZ3 LYS 32 -4.693 -11.019 -1.707
233 H CYS 33 H CYS 33 0.583 -5.868 0.612
234 HA CYS 33 HA CYS 33 2.216 -4.287 -1.327
235 HB2 CYS 33 HB2 CYS 33 2.155 -4.182 1.421
236 HB3 CYS 33 HB3 CYS 33 3.582 -5.180 1.105
237 H TYR 34 H TYR 34 3.654 -5.216 -2.644
238 HA TYR 34 HA TYR 34 3.492 -8.161 -2.874
239 HB2 TYR 34 HB2 TYR 34 4.651 -5.997 -4.683
240 HB3 TYR 34 HB3 TYR 34 4.636 -7.709 -5.047
241 HD1 TYR 34 HD2 TYR 34 1.551 -7.695 -3.650
242 HD2 TYR 34 HD1 TYR 34 3.613 -5.873 -6.987
243 HE1 TYR 34 HE2 TYR 34 -0.542 -7.702 -4.961
244 HE2 TYR 34 HE1 TYR 34 1.506 -5.932 -8.305
245 HH TYR 34 HH TYR 34 -0.652 -6.749 -8.414
246 H TYR 35 H TYR 35 6.062 -5.731 -2.658
247 HA TYR 35 HA TYR 35 8.057 -7.886 -2.019
248 HB2 TYR 35 HB2 TYR 35 8.670 -5.338 -3.505
249 HB3 TYR 35 HB3 TYR 35 9.635 -6.809 -3.405
250 HD1 TYR 35 HD2 TYR 35 7.963 -9.004 -4.231
251 HD2 TYR 35 HD1 TYR 35 7.971 -4.939 -5.670
252 HE1 TYR 35 HE2 TYR 35 6.789 -9.730 -6.304
253 HE2 TYR 35 HE1 TYR 35 6.784 -5.665 -7.730
254 HH TYR 35 HH TYR 35 5.752 -7.353 -8.796
255 H CYS 36 H CYS 36 6.488 -5.719 -0.335
256 HA CYS 36 HA CYS 36 8.551 -5.789 1.680
257 HB2 CYS 36 HB2 CYS 36 8.881 -3.683 0.166
258 HB3 CYS 36 HB3 CYS 36 7.528 -3.020 1.081