Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
568896 | 2md7 RC | 19472 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 10.307 -8.680 6.192
2 H2 GLY 1 HT2 GLY 1 9.548 -9.888 5.285
3 H3 GLY 1 HT3 GLY 1 11.185 -10.032 5.681
4 HA2 GLY 1 HA1 GLY 1 10.623 -10.185 8.034
5 HA3 GLY 1 HA2 GLY 1 8.924 -10.065 7.601
6 H ALA 2 HN ALA 2 9.644 -12.211 9.045
7 HA ALA 2 HA ALA 2 10.508 -14.462 7.579
8 HB1 ALA 2 HB1 ALA 2 8.768 -14.386 10.045
9 HB2 ALA 2 HB2 ALA 2 10.530 -14.375 10.033
10 HB3 ALA 2 HB3 ALA 2 9.653 -15.787 9.440
11 H MET 3 HN MET 3 7.276 -13.268 8.373
12 HA MET 3 HA MET 3 6.214 -14.936 6.192
13 HB2 MET 3 HB2 MET 3 5.602 -15.772 8.487
14 HB3 MET 3 HB1 MET 3 4.755 -14.257 8.754
15 HG2 MET 3 HG2 MET 3 3.283 -14.771 6.846
16 HG3 MET 3 HG1 MET 3 4.108 -16.316 6.653
17 HE1 MET 3 HE1 MET 3 1.669 -17.437 6.747
18 HE2 MET 3 HE2 MET 3 0.920 -15.867 7.047
19 HE3 MET 3 HE3 MET 3 0.558 -17.232 8.101
20 H GLY 4 HN GLY 4 7.184 -12.170 6.303
21 HA2 GLY 4 HA2 GLY 4 4.761 -10.872 5.275
22 HA3 GLY 4 HA1 GLY 4 5.721 -10.033 6.487
23 H MET 5 HN MET 5 5.101 -9.512 3.564
24 HA MET 5 HA MET 5 7.884 -9.285 2.636
25 HB2 MET 5 HB2 MET 5 5.362 -9.716 1.034
26 HB3 MET 5 HB1 MET 5 6.887 -9.225 0.312
27 HG2 MET 5 HG2 MET 5 6.414 -11.764 1.857
28 HG3 MET 5 HG1 MET 5 6.509 -11.625 0.103
29 HE1 MET 5 HE1 MET 5 8.703 -10.932 -1.205
30 HE2 MET 5 HE2 MET 5 10.248 -10.586 -0.430
31 HE3 MET 5 HE3 MET 5 8.891 -9.480 -0.222
32 H ARG 6 HN ARG 6 8.263 -7.257 3.451
33 HA ARG 6 HA ARG 6 6.588 -5.087 2.396
34 HB2 ARG 6 HB2 ARG 6 8.664 -5.060 4.595
35 HB3 ARG 6 HB1 ARG 6 7.817 -3.637 4.009
36 HG2 ARG 6 HG2 ARG 6 5.688 -4.620 4.728
37 HG3 ARG 6 HG1 ARG 6 6.560 -6.026 5.346
38 HD2 ARG 6 HD2 ARG 6 7.816 -4.546 6.863
39 HD3 ARG 6 HD1 ARG 6 6.891 -3.172 6.265
40 HE ARG 6 HE ARG 6 5.172 -5.207 7.242
41 HH11 ARG 6 HH11 ARG 6 7.326 -2.659 8.279
42 HH12 ARG 6 HH12 ARG 6 6.505 -2.399 9.783
43 HH21 ARG 6 HH21 ARG 6 4.078 -4.865 9.225
44 HH22 ARG 6 HH22 ARG 6 4.662 -3.659 10.325
45 H ASN 7 HN ASN 7 7.460 -5.348 0.287
46 HA ASN 7 HA ASN 7 10.268 -4.938 -0.183
47 HB2 ASN 7 HB2 ASN 7 9.553 -4.857 -2.604
48 HB3 ASN 7 HB1 ASN 7 9.167 -6.347 -1.756
49 HD21 ASN 7 HD21 ASN 7 7.985 -4.983 -4.158
50 HD22 ASN 7 HD22 ASN 7 6.296 -4.892 -3.820
51 H LEU 8 HN LEU 8 9.970 -2.932 1.214
52 HA LEU 8 HA LEU 8 8.912 -0.648 -0.233
53 HB2 LEU 8 HB2 LEU 8 9.482 0.545 1.967
54 HB3 LEU 8 HB1 LEU 8 8.142 -0.579 1.940
55 HG LEU 8 HG LEU 8 9.663 -2.309 2.934
56 HD11 LEU 8 HD11 LEU 8 11.510 0.031 3.372
57 HD12 LEU 8 HD12 LEU 8 11.800 -1.308 2.262
58 HD13 LEU 8 HD13 LEU 8 11.715 -1.604 3.999
59 HD21 LEU 8 HD21 LEU 8 9.231 0.229 4.495
60 HD22 LEU 8 HD22 LEU 8 9.551 -1.361 5.186
61 HD23 LEU 8 HD23 LEU 8 8.068 -1.078 4.277
62 H ASP 9 HN ASP 9 11.788 -2.185 -0.180
63 HA ASP 9 HA ASP 9 13.512 0.113 -0.017
64 HB2 ASP 9 HB2 ASP 9 14.372 -2.105 0.583
65 HB3 ASP 9 HB1 ASP 9 14.083 -2.671 -1.056
66 H GLU 10 HN GLU 10 11.903 -1.731 -2.494
67 HA GLU 10 HA GLU 10 12.968 -0.049 -4.621
68 HB2 GLU 10 HB2 GLU 10 11.040 -2.371 -4.609
69 HB3 GLU 10 HB1 GLU 10 11.422 -1.450 -6.053
70 HG2 GLU 10 HG2 GLU 10 13.445 -2.910 -4.386
71 HG3 GLU 10 HG1 GLU 10 12.694 -3.554 -5.847
72 H CYS 11 HN CYS 11 10.925 0.566 -2.329
73 HA CYS 11 HA CYS 11 8.777 1.685 -3.979
74 HB2 CYS 11 HB2 CYS 11 8.230 0.145 -2.087
75 HB3 CYS 11 HB1 CYS 11 8.898 1.336 -0.986
76 H GLU 12 HN GLU 12 9.706 3.546 -4.700
77 HA GLU 12 HA GLU 12 11.356 5.309 -3.369
78 HB2 GLU 12 HB2 GLU 12 9.239 6.231 -5.296
79 HB3 GLU 12 HB1 GLU 12 10.850 6.884 -5.060
80 HG2 GLU 12 HG2 GLU 12 10.182 4.230 -6.314
81 HG3 GLU 12 HG1 GLU 12 10.672 5.691 -7.166
82 H VAL 13 HN VAL 13 7.860 5.093 -3.396
83 HA VAL 13 HA VAL 13 7.421 7.615 -2.168
84 HB VAL 13 HB VAL 13 5.750 6.683 -3.637
85 HG11 VAL 13 HG11 VAL 13 6.083 4.327 -3.209
86 HG12 VAL 13 HG12 VAL 13 4.390 4.764 -3.001
87 HG13 VAL 13 HG13 VAL 13 5.412 4.510 -1.588
88 HG21 VAL 13 HG21 VAL 13 4.718 6.845 -0.815
89 HG22 VAL 13 HG22 VAL 13 3.753 7.016 -2.281
90 HG23 VAL 13 HG23 VAL 13 4.992 8.212 -1.893
91 H CYS 14 HN CYS 14 7.995 4.416 -0.891
92 HA CYS 14 HA CYS 14 6.860 4.908 1.682
93 HB2 CYS 14 HB2 CYS 14 8.452 2.788 0.455
94 HB3 CYS 14 HB1 CYS 14 8.854 3.067 2.145
95 H ARG 15 HN ARG 15 9.951 5.508 0.196
96 HA ARG 15 HA ARG 15 11.327 6.236 2.584
97 HB2 ARG 15 HB2 ARG 15 11.942 7.189 -0.207
98 HB3 ARG 15 HB1 ARG 15 13.050 7.094 1.154
99 HG2 ARG 15 HG2 ARG 15 12.905 4.658 1.108
100 HG3 ARG 15 HG1 ARG 15 11.791 4.756 -0.258
101 HD2 ARG 15 HD2 ARG 15 13.686 6.171 -1.338
102 HD3 ARG 15 HD1 ARG 15 14.707 5.383 -0.138
103 HE ARG 15 HE ARG 15 13.973 3.242 -1.119
104 HH11 ARG 15 HH11 ARG 15 13.750 6.191 -2.987
105 HH12 ARG 15 HH12 ARG 15 13.694 5.377 -4.522
106 HH21 ARG 15 HH21 ARG 15 13.922 2.154 -3.150
107 HH22 ARG 15 HH22 ARG 15 13.765 3.092 -4.609
108 H ASP 16 HN ASP 16 9.323 7.869 0.284
109 HA ASP 16 HA ASP 16 9.796 10.527 1.166
110 HB2 ASP 16 HB2 ASP 16 8.836 9.977 -1.043
111 HB3 ASP 16 HB1 ASP 16 7.392 9.354 -0.258
112 H GLY 17 HN GLY 17 8.265 7.933 2.612
113 HA2 GLY 17 HA2 GLY 17 7.282 7.923 4.738
114 HA3 GLY 17 HA1 GLY 17 7.039 9.661 4.610
115 H GLY 18 HN GLY 18 6.082 7.613 1.971
116 HA2 GLY 18 HA2 GLY 18 3.405 8.532 2.079
117 HA3 GLY 18 HA1 GLY 18 4.027 7.262 1.039
118 H GLU 19 HN GLU 19 1.560 7.561 2.700
119 HA GLU 19 HA GLU 19 1.840 5.433 4.655
120 HB2 GLU 19 HB2 GLU 19 -0.292 7.414 3.974
121 HB3 GLU 19 HB1 GLU 19 -0.732 5.954 4.853
122 HG2 GLU 19 HG2 GLU 19 1.364 7.937 5.729
123 HG3 GLU 19 HG1 GLU 19 -0.294 7.882 6.328
124 H LEU 20 HN LEU 20 0.686 3.538 4.626
125 HA LEU 20 HA LEU 20 -0.090 2.563 1.991
126 HB2 LEU 20 HB2 LEU 20 0.542 1.283 4.621
127 HB3 LEU 20 HB1 LEU 20 -0.413 0.405 3.443
128 HG LEU 20 HG LEU 20 2.313 1.528 2.803
129 HD11 LEU 20 HD11 LEU 20 1.572 -1.221 3.805
130 HD12 LEU 20 HD12 LEU 20 2.543 -0.023 4.662
131 HD13 LEU 20 HD13 LEU 20 3.150 -0.754 3.177
132 HD21 LEU 20 HD21 LEU 20 2.228 -0.164 1.020
133 HD22 LEU 20 HD22 LEU 20 0.910 0.997 0.876
134 HD23 LEU 20 HD23 LEU 20 0.600 -0.612 1.527
135 H PHE 21 HN PHE 21 -2.151 2.084 1.441
136 HA PHE 21 HA PHE 21 -4.186 2.342 3.551
137 HB2 PHE 21 HB2 PHE 21 -4.418 2.998 0.597
138 HB3 PHE 21 HB1 PHE 21 -5.755 3.057 1.748
139 HD1 PHE 21 HD1 PHE 21 -5.684 4.706 3.630
140 HD2 PHE 21 HD2 PHE 21 -2.860 4.787 0.434
141 HE1 PHE 21 HE1 PHE 21 -5.056 7.000 4.241
142 HE2 PHE 21 HE2 PHE 21 -2.238 7.081 1.049
143 HZ PHE 21 HZ PHE 21 -3.331 8.192 2.952
144 H CYS 22 HN CYS 22 -2.779 0.018 3.074
145 HA CYS 22 HA CYS 22 -4.936 -1.750 2.189
146 HB2 CYS 22 HB2 CYS 22 -2.050 -1.824 1.359
147 HB3 CYS 22 HB1 CYS 22 -3.000 -3.307 1.416
148 H CYS 23 HN CYS 23 -4.938 -3.800 3.166
149 HA CYS 23 HA CYS 23 -3.970 -3.807 5.877
150 HB2 CYS 23 HB2 CYS 23 -5.273 -5.802 6.143
151 HB3 CYS 23 HB1 CYS 23 -6.218 -4.721 5.122
152 H ASP 24 HN ASP 24 -2.874 -5.931 6.659
153 HA ASP 24 HA ASP 24 -0.325 -6.096 5.629
154 HB2 ASP 24 HB2 ASP 24 -1.930 -8.051 7.253
155 HB3 ASP 24 HB1 ASP 24 -0.298 -8.443 6.732
156 H THR 25 HN THR 25 -3.034 -8.280 4.966
157 HA THR 25 HA THR 25 -1.651 -10.128 3.414
158 HB THR 25 HB THR 25 -4.556 -9.359 3.115
159 HG1 THR 25 HG1 THR 25 -3.246 -11.129 4.931
160 HG21 THR 25 HG21 THR 25 -4.854 -11.677 2.406
161 HG22 THR 25 HG22 THR 25 -3.123 -11.963 2.585
162 HG23 THR 25 HG23 THR 25 -3.708 -10.847 1.352
163 H CYS 26 HN CYS 26 -3.482 -7.252 2.342
164 HA CYS 26 HA CYS 26 -2.894 -7.773 -0.412
165 HB2 CYS 26 HB2 CYS 26 -3.963 -5.259 0.866
166 HB3 CYS 26 HB1 CYS 26 -3.929 -5.590 -0.857
167 H SER 27 HN SER 27 -1.418 -5.773 2.102
168 HA SER 27 HA SER 27 0.104 -4.137 0.369
169 HB2 SER 27 HB2 SER 27 -0.271 -3.509 2.699
170 HB3 SER 27 HB1 SER 27 0.603 -4.936 3.250
171 HG SER 27 HG SER 27 2.249 -3.632 3.229
172 H ARG 28 HN ARG 28 0.686 -7.280 1.855
173 HA ARG 28 HA ARG 28 3.430 -7.431 1.157
174 HB2 ARG 28 HB2 ARG 28 1.439 -9.610 1.805
175 HB3 ARG 28 HB1 ARG 28 3.181 -9.842 1.697
176 HG2 ARG 28 HG2 ARG 28 3.555 -8.407 3.565
177 HG3 ARG 28 HG1 ARG 28 1.862 -7.924 3.600
178 HD2 ARG 28 HD2 ARG 28 1.291 -10.326 4.052
179 HD3 ARG 28 HD1 ARG 28 3.018 -10.629 4.241
180 HE ARG 28 HE ARG 28 2.372 -8.494 5.896
181 HH11 ARG 28 HH11 ARG 28 1.629 -11.908 5.629
182 HH12 ARG 28 HH12 ARG 28 1.301 -12.094 7.319
183 HH21 ARG 28 HH21 ARG 28 1.907 -8.734 8.113
184 HH22 ARG 28 HH22 ARG 28 1.467 -10.291 8.734
185 H VAL 29 HN VAL 29 0.553 -7.857 -0.644
186 HA VAL 29 HA VAL 29 1.955 -9.420 -2.686
187 HB VAL 29 HB VAL 29 -1.001 -8.846 -2.475
188 HG11 VAL 29 HG11 VAL 29 0.518 -10.771 -4.232
189 HG12 VAL 29 HG12 VAL 29 -0.269 -9.287 -4.764
190 HG13 VAL 29 HG13 VAL 29 -1.235 -10.624 -4.143
191 HG21 VAL 29 HG21 VAL 29 -1.195 -11.201 -1.779
192 HG22 VAL 29 HG22 VAL 29 -0.291 -10.224 -0.622
193 HG23 VAL 29 HG23 VAL 29 0.564 -11.307 -1.720
194 H PHE 30 HN PHE 30 0.131 -6.403 -2.242
195 HA PHE 30 HA PHE 30 1.018 -5.586 -4.935
196 HB2 PHE 30 HB2 PHE 30 -1.624 -4.869 -3.640
197 HB3 PHE 30 HB1 PHE 30 -1.078 -4.353 -5.232
198 HD1 PHE 30 HD1 PHE 30 -0.512 -6.338 -6.894
199 HD2 PHE 30 HD2 PHE 30 -3.030 -6.655 -3.472
200 HE1 PHE 30 HE1 PHE 30 -1.605 -8.305 -7.882
201 HE2 PHE 30 HE2 PHE 30 -4.120 -8.626 -4.452
202 HZ PHE 30 HZ PHE 30 -3.409 -9.455 -6.661
203 H HIS 31 HN HIS 31 2.464 -5.044 -2.612
204 HA HIS 31 HA HIS 31 1.977 -2.776 -1.167
205 HB2 HIS 31 HB2 HIS 31 3.894 -4.282 -0.830
206 HB3 HIS 31 HB1 HIS 31 4.641 -3.655 -2.292
207 HD1 HIS 31 HD1 HIS 31 3.600 -2.405 1.164
208 HD2 HIS 31 HD2 HIS 31 6.296 -1.573 -1.886
209 HE1 HIS 31 HE1 HIS 31 5.200 -0.648 2.076
210 H GLU 32 HN GLU 32 3.406 -2.938 -4.392
211 HA GLU 32 HA GLU 32 4.148 -0.196 -4.502
212 HB2 GLU 32 HB2 GLU 32 3.735 -2.215 -6.715
213 HB3 GLU 32 HB1 GLU 32 4.514 -0.652 -6.909
214 HG2 GLU 32 HG2 GLU 32 6.358 -1.292 -5.589
215 HG3 GLU 32 HG1 GLU 32 5.528 -2.726 -4.987
216 H ASP 33 HN ASP 33 1.330 -2.010 -5.544
217 HA ASP 33 HA ASP 33 0.137 0.219 -6.931
218 HB2 ASP 33 HB2 ASP 33 -0.203 -2.279 -7.445
219 HB3 ASP 33 HB1 ASP 33 -1.272 -2.300 -6.048
220 H CYS 34 HN CYS 34 0.123 -1.118 -3.745
221 HA CYS 34 HA CYS 34 -2.348 -0.004 -2.872
222 HB2 CYS 34 HB2 CYS 34 -0.035 -1.366 -1.555
223 HB3 CYS 34 HB1 CYS 34 -1.205 -0.508 -0.551
224 H HIS 35 HN HIS 35 0.632 1.434 -3.462
225 HA HIS 35 HA HIS 35 0.193 3.578 -1.528
226 HB2 HIS 35 HB2 HIS 35 2.400 2.996 -3.498
227 HB3 HIS 35 HB1 HIS 35 2.295 4.530 -2.633
228 HD1 HIS 35 HD1 HIS 35 2.790 4.461 -0.046
229 HD2 HIS 35 HD2 HIS 35 3.170 0.812 -1.996
230 HE1 HIS 35 HE1 HIS 35 4.013 2.927 1.547
231 H ILE 36 HN ILE 36 -0.952 2.763 -4.502
232 HA ILE 36 HA ILE 36 -1.245 5.570 -5.328
233 HB ILE 36 HB ILE 36 -1.077 3.154 -7.131
234 HG12 ILE 36 HG12 ILE 36 0.918 5.391 -6.702
235 HG13 ILE 36 HG11 ILE 36 1.089 3.749 -6.092
236 HG21 ILE 36 HG21 ILE 36 -1.267 6.091 -7.793
237 HG22 ILE 36 HG22 ILE 36 -2.528 4.882 -8.035
238 HG23 ILE 36 HG23 ILE 36 -1.029 4.788 -8.960
239 HD11 ILE 36 HD11 ILE 36 0.977 4.546 -8.992
240 HD12 ILE 36 HD12 ILE 36 1.170 2.904 -8.375
241 HD13 ILE 36 HD13 ILE 36 2.426 4.109 -8.089
242 HA PRO 37 HA PRO 37 -2.353 6.904 -5.305
243 HB2 PRO 37 HB2 PRO 37 -4.643 8.413 -5.254
244 HB3 PRO 37 HB1 PRO 37 -3.832 7.911 -6.746
245 HG2 PRO 37 HG2 PRO 37 -6.408 7.090 -5.749
246 HG3 PRO 37 HG1 PRO 37 -5.618 6.622 -7.264
247 HD2 PRO 37 HD2 PRO 37 -5.752 5.175 -4.678
248 HD3 PRO 37 HD1 PRO 37 -5.503 4.537 -6.319
249 HA PRO 38 HA PRO 38 -3.129 7.349 -0.886
250 HB2 PRO 38 HB2 PRO 38 -1.809 9.942 -0.975
251 HB3 PRO 38 HB1 PRO 38 -1.258 8.450 -0.211
252 HG2 PRO 38 HG2 PRO 38 -0.064 9.530 -2.410
253 HG3 PRO 38 HG1 PRO 38 -0.064 7.791 -2.056
254 HD2 PRO 38 HD2 PRO 38 -1.774 9.336 -3.977
255 HD3 PRO 38 HD1 PRO 38 -1.041 7.725 -4.159
256 H VAL 39 HN VAL 39 -4.936 8.126 0.050
257 HA VAL 39 HA VAL 39 -6.498 10.078 -1.352
258 HB VAL 39 HB VAL 39 -7.626 8.175 -0.356
259 HG11 VAL 39 HG11 VAL 39 -7.923 8.031 2.096
260 HG12 VAL 39 HG12 VAL 39 -6.697 9.286 2.280
261 HG13 VAL 39 HG13 VAL 39 -6.269 7.733 1.565
262 HG21 VAL 39 HG21 VAL 39 -8.400 10.786 0.927
263 HG22 VAL 39 HG22 VAL 39 -9.436 9.366 0.795
264 HG23 VAL 39 HG23 VAL 39 -8.902 10.205 -0.660
265 H GLU 40 HN GLU 40 -6.503 12.193 -1.034
266 HA GLU 40 HA GLU 40 -5.130 13.223 1.344
267 HB2 GLU 40 HB2 GLU 40 -4.231 13.845 -0.910
268 HB3 GLU 40 HB1 GLU 40 -5.738 14.696 -1.222
269 HG2 GLU 40 HG2 GLU 40 -4.002 16.229 -0.513
270 HG3 GLU 40 HG1 GLU 40 -5.311 16.167 0.665
271 H ALA 41 HN ALA 41 -7.330 12.544 2.245
272 HA ALA 41 HA ALA 41 -8.762 14.947 2.826
273 HB1 ALA 41 HB1 ALA 41 -10.229 12.732 1.395
274 HB2 ALA 41 HB2 ALA 41 -9.888 14.334 0.745
275 HB3 ALA 41 HB3 ALA 41 -10.971 14.155 2.123
276 H GLU 42 HN GLU 42 -9.856 11.600 2.830
277 HA GLU 42 HA GLU 42 -9.699 11.593 5.758
278 HB2 GLU 42 HB2 GLU 42 -11.290 9.797 3.918
279 HB3 GLU 42 HB1 GLU 42 -11.306 9.742 5.675
280 HG2 GLU 42 HG2 GLU 42 -12.233 12.028 3.960
281 HG3 GLU 42 HG1 GLU 42 -13.261 10.887 4.827
282 H ARG 43 HN ARG 43 -7.443 11.165 5.706
283 HA ARG 43 HA ARG 43 -6.361 8.897 4.359
284 HB2 ARG 43 HB2 ARG 43 -5.253 10.525 6.648
285 HB3 ARG 43 HB1 ARG 43 -4.356 9.308 5.756
286 HG2 ARG 43 HG2 ARG 43 -4.668 10.656 3.699
287 HG3 ARG 43 HG1 ARG 43 -5.434 11.909 4.684
288 HD2 ARG 43 HD2 ARG 43 -3.399 12.108 6.018
289 HD3 ARG 43 HD1 ARG 43 -2.641 10.838 5.063
290 HE ARG 43 HE ARG 43 -3.537 13.099 3.507
291 HH11 ARG 43 HH11 ARG 43 -0.920 11.745 5.401
292 HH12 ARG 43 HH12 ARG 43 0.306 12.704 4.634
293 HH21 ARG 43 HH21 ARG 43 -1.913 14.367 2.481
294 HH22 ARG 43 HH22 ARG 43 -0.252 14.176 2.970
295 H THR 44 HN THR 44 -7.550 7.118 4.928
296 HA THR 44 HA THR 44 -7.511 6.335 7.755
297 HB THR 44 HB THR 44 -9.302 4.707 7.058
298 HG1 THR 44 HG1 THR 44 -8.779 4.788 4.776
299 HG21 THR 44 HG21 THR 44 -9.872 6.822 8.140
300 HG22 THR 44 HG22 THR 44 -11.075 6.412 6.916
301 HG23 THR 44 HG23 THR 44 -9.853 7.639 6.578
302 HA PRO 45 HA PRO 45 -4.302 3.629 5.893
303 HB2 PRO 45 HB2 PRO 45 -3.396 3.408 8.678
304 HB3 PRO 45 HB1 PRO 45 -2.513 3.963 7.251
305 HG2 PRO 45 HG2 PRO 45 -3.282 5.661 9.192
306 HG3 PRO 45 HG1 PRO 45 -3.236 6.142 7.485
307 HD2 PRO 45 HD2 PRO 45 -5.592 5.348 9.168
308 HD3 PRO 45 HD1 PRO 45 -5.450 6.662 7.977
309 H TRP 46 HN TRP 46 -6.629 3.106 8.366
310 HA TRP 46 HA TRP 46 -6.027 0.276 8.612
311 HB2 TRP 46 HB2 TRP 46 -7.998 0.250 10.166
312 HB3 TRP 46 HB1 TRP 46 -6.723 1.364 10.649
313 HD1 TRP 46 HD1 TRP 46 -10.318 1.315 9.323
314 HE1 TRP 46 HE1 TRP 46 -11.360 3.638 9.671
315 HE3 TRP 46 HE3 TRP 46 -6.147 3.849 10.867
316 HZ2 TRP 46 HZ2 TRP 46 -10.524 6.204 10.487
317 HZ3 TRP 46 HZ3 TRP 46 -6.359 6.241 11.409
318 HH2 TRP 46 HH2 TRP 46 -8.497 7.391 11.220
319 H ASN 47 HN ASN 47 -7.840 2.279 6.614
320 HA ASN 47 HA ASN 47 -9.813 0.243 5.925
321 HB2 ASN 47 HB2 ASN 47 -10.514 2.632 5.991
322 HB3 ASN 47 HB1 ASN 47 -9.360 2.985 4.708
323 HD21 ASN 47 HD21 ASN 47 -12.397 1.471 5.490
324 HD22 ASN 47 HD22 ASN 47 -12.938 1.269 3.856
325 H CYS 48 HN CYS 48 -9.249 -1.311 4.517
326 HA CYS 48 HA CYS 48 -6.924 -0.882 2.837
327 HB2 CYS 48 HB2 CYS 48 -7.217 -3.021 4.092
328 HB3 CYS 48 HB1 CYS 48 -8.645 -3.363 3.121
329 H ILE 49 HN ILE 49 -7.046 -0.198 0.812
330 HA ILE 49 HA ILE 49 -9.607 0.098 -0.454
331 HB ILE 49 HB ILE 49 -8.320 1.067 -2.362
332 HG12 ILE 49 HG12 ILE 49 -5.933 0.755 -0.530
333 HG13 ILE 49 HG11 ILE 49 -6.214 -0.212 -1.973
334 HG21 ILE 49 HG21 ILE 49 -7.813 2.220 0.375
335 HG22 ILE 49 HG22 ILE 49 -9.222 2.498 -0.645
336 HG23 ILE 49 HG23 ILE 49 -7.642 3.101 -1.140
337 HD11 ILE 49 HD11 ILE 49 -6.090 1.816 -3.337
338 HD12 ILE 49 HD12 ILE 49 -4.617 1.560 -2.400
339 HD13 ILE 49 HD13 ILE 49 -5.794 2.768 -1.882
340 H PHE 50 HN PHE 50 -6.980 -2.175 -0.645
341 HA PHE 50 HA PHE 50 -7.800 -3.218 -3.199
342 HB2 PHE 50 HB2 PHE 50 -5.536 -3.605 -1.471
343 HB3 PHE 50 HB1 PHE 50 -6.227 -5.173 -1.897
344 HD1 PHE 50 HD1 PHE 50 -6.423 -5.836 -4.269
345 HD2 PHE 50 HD2 PHE 50 -4.427 -2.259 -3.098
346 HE1 PHE 50 HE1 PHE 50 -5.364 -5.706 -6.481
347 HE2 PHE 50 HE2 PHE 50 -3.370 -2.127 -5.310
348 HZ PHE 50 HZ PHE 50 -3.832 -3.850 -7.003
349 H CYS 51 HN CYS 51 -8.423 -3.975 0.171
350 HA CYS 51 HA CYS 51 -9.915 -6.346 -0.410
351 HB2 CYS 51 HB2 CYS 51 -9.720 -4.550 1.992
352 HB3 CYS 51 HB1 CYS 51 -10.986 -5.767 1.905
353 H ARG 52 HN ARG 52 -10.774 -2.943 0.145
354 HA ARG 52 HA ARG 52 -13.522 -3.192 -0.331
355 HB2 ARG 52 HB2 ARG 52 -12.187 -1.236 0.669
356 HB3 ARG 52 HB1 ARG 52 -11.879 -0.754 -0.988
357 HG2 ARG 52 HG2 ARG 52 -13.693 0.542 -0.237
358 HG3 ARG 52 HG1 ARG 52 -14.369 -0.673 -1.323
359 HD2 ARG 52 HD2 ARG 52 -14.303 -0.977 1.677
360 HD3 ARG 52 HD1 ARG 52 -15.658 -0.268 0.808
361 HE ARG 52 HE ARG 52 -16.009 -2.405 -0.270
362 HH11 ARG 52 HH11 ARG 52 -13.851 -2.411 2.506
363 HH12 ARG 52 HH12 ARG 52 -14.071 -4.100 2.831
364 HH21 ARG 52 HH21 ARG 52 -16.299 -4.617 0.155
365 HH22 ARG 52 HH22 ARG 52 -15.479 -5.356 1.503
366 H MET 53 HN MET 53 -10.899 -3.410 -2.455
367 HA MET 53 HA MET 53 -12.155 -2.450 -4.838
368 HB2 MET 53 HB2 MET 53 -9.726 -2.494 -4.655
369 HB3 MET 53 HB1 MET 53 -9.746 -4.232 -4.420
370 HG2 MET 53 HG2 MET 53 -10.815 -2.996 -6.924
371 HG3 MET 53 HG1 MET 53 -9.092 -3.285 -6.709
372 HE1 MET 53 HE1 MET 53 -8.949 -7.186 -6.355
373 HE2 MET 53 HE2 MET 53 -9.130 -6.055 -5.016
374 HE3 MET 53 HE3 MET 53 -8.033 -5.680 -6.343
375 H LYS 54 HN LYS 54 -11.970 -5.479 -3.149
376 HA LYS 54 HA LYS 54 -13.204 -6.944 -5.339
377 HB2 LYS 54 HB2 LYS 54 -11.347 -7.924 -3.926
378 HB3 LYS 54 HB1 LYS 54 -12.466 -7.929 -2.571
379 HG2 LYS 54 HG2 LYS 54 -13.945 -9.450 -3.815
380 HG3 LYS 54 HG1 LYS 54 -12.784 -9.464 -5.146
381 HD2 LYS 54 HD2 LYS 54 -11.078 -10.377 -3.620
382 HD3 LYS 54 HD1 LYS 54 -12.278 -10.410 -2.325
383 HE2 LYS 54 HE2 LYS 54 -13.637 -11.973 -3.592
384 HE3 LYS 54 HE1 LYS 54 -12.501 -11.902 -4.936
385 HZ1 LYS 54 HZ1 LYS 54 -12.191 -13.874 -3.557
386 HZ2 LYS 54 HZ2 LYS 54 -11.859 -12.902 -2.217
387 HZ3 LYS 54 HZ3 LYS 54 -10.814 -12.892 -3.549
388 H GLU 55 HN GLU 55 -14.946 -5.178 -4.905
389 HA GLU 55 HA GLU 55 -16.648 -5.642 -2.634
390 HB2 GLU 55 HB2 GLU 55 -16.208 -3.417 -3.882
391 HB3 GLU 55 HB1 GLU 55 -17.407 -4.000 -5.029
392 HG2 GLU 55 HG2 GLU 55 -18.521 -2.594 -3.482
393 HG3 GLU 55 HG1 GLU 55 -18.992 -4.253 -3.113
394 H SER 56 HN SER 56 -16.530 -6.561 -5.988
395 HA SER 56 HA SER 56 -19.079 -7.992 -5.664
396 HB2 SER 56 HB2 SER 56 -19.028 -6.259 -7.475
397 HB3 SER 56 HB1 SER 56 -17.743 -7.175 -8.259
398 HG SER 56 HG SER 56 -19.926 -7.592 -9.031
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 13.449 -6.083 -5.760
2 H2 GLY 1 HT2 GLY 1 14.336 -5.569 -4.417
3 H3 GLY 1 HT3 GLY 1 12.752 -5.025 -4.641
4 HA2 GLY 1 HA1 GLY 1 12.785 -6.708 -2.936
5 HA3 GLY 1 HA2 GLY 1 11.910 -7.274 -4.351
6 H ALA 2 HN ALA 2 12.301 -9.437 -3.656
7 HA ALA 2 HA ALA 2 13.400 -11.428 -3.567
8 HB1 ALA 2 HB1 ALA 2 15.049 -10.178 -5.763
9 HB2 ALA 2 HB2 ALA 2 13.494 -10.981 -5.978
10 HB3 ALA 2 HB3 ALA 2 14.894 -11.902 -5.428
11 H MET 3 HN MET 3 14.235 -9.804 -1.547
12 HA MET 3 HA MET 3 16.769 -10.875 -0.866
13 HB2 MET 3 HB2 MET 3 17.505 -9.087 -2.432
14 HB3 MET 3 HB1 MET 3 16.704 -7.897 -1.419
15 HG2 MET 3 HG2 MET 3 18.208 -8.494 0.434
16 HG3 MET 3 HG1 MET 3 19.033 -9.635 -0.628
17 HE1 MET 3 HE1 MET 3 21.352 -8.413 -0.034
18 HE2 MET 3 HE2 MET 3 20.478 -7.287 1.002
19 HE3 MET 3 HE3 MET 3 21.603 -6.678 -0.210
20 H GLY 4 HN GLY 4 15.213 -11.482 0.795
21 HA2 GLY 4 HA2 GLY 4 14.873 -11.161 3.129
22 HA3 GLY 4 HA1 GLY 4 15.017 -9.425 2.880
23 H MET 5 HN MET 5 12.994 -9.767 4.328
24 HA MET 5 HA MET 5 10.608 -10.405 2.780
25 HB2 MET 5 HB2 MET 5 11.023 -9.732 5.696
26 HB3 MET 5 HB1 MET 5 9.430 -9.918 4.979
27 HG2 MET 5 HG2 MET 5 11.563 -12.043 5.067
28 HG3 MET 5 HG1 MET 5 10.168 -11.940 6.139
29 HE1 MET 5 HE1 MET 5 7.668 -12.197 5.330
30 HE2 MET 5 HE2 MET 5 7.193 -12.546 3.669
31 HE3 MET 5 HE3 MET 5 7.881 -10.974 4.077
32 H ARG 6 HN ARG 6 11.426 -8.456 1.456
33 HA ARG 6 HA ARG 6 9.827 -6.163 2.226
34 HB2 ARG 6 HB2 ARG 6 11.773 -4.631 1.593
35 HB3 ARG 6 HB1 ARG 6 11.852 -5.419 3.162
36 HG2 ARG 6 HG2 ARG 6 13.406 -7.047 2.326
37 HG3 ARG 6 HG1 ARG 6 13.242 -6.414 0.690
38 HD2 ARG 6 HD2 ARG 6 14.273 -4.340 1.330
39 HD3 ARG 6 HD1 ARG 6 14.285 -4.824 3.027
40 HE ARG 6 HE ARG 6 15.749 -6.758 2.032
41 HH11 ARG 6 HH11 ARG 6 15.824 -3.381 1.111
42 HH12 ARG 6 HH12 ARG 6 17.523 -3.386 0.774
43 HH21 ARG 6 HH21 ARG 6 17.981 -6.759 1.579
44 HH22 ARG 6 HH22 ARG 6 18.742 -5.303 1.020
45 H ASN 7 HN ASN 7 8.875 -5.234 0.535
46 HA ASN 7 HA ASN 7 9.915 -5.807 -2.162
47 HB2 ASN 7 HB2 ASN 7 7.814 -7.091 -1.601
48 HB3 ASN 7 HB1 ASN 7 6.987 -5.547 -1.429
49 HD21 ASN 7 HD21 ASN 7 9.442 -6.306 -3.824
50 HD22 ASN 7 HD22 ASN 7 8.409 -6.159 -5.198
51 H LEU 8 HN LEU 8 10.117 -3.590 -0.147
52 HA LEU 8 HA LEU 8 8.677 -1.433 -1.477
53 HB2 LEU 8 HB2 LEU 8 9.368 -0.088 0.522
54 HB3 LEU 8 HB1 LEU 8 8.298 -1.435 0.852
55 HG LEU 8 HG LEU 8 10.563 -2.686 1.381
56 HD11 LEU 8 HD11 LEU 8 12.219 -1.240 2.400
57 HD12 LEU 8 HD12 LEU 8 11.279 0.185 1.954
58 HD13 LEU 8 HD13 LEU 8 12.006 -0.821 0.700
59 HD21 LEU 8 HD21 LEU 8 8.737 -2.361 2.944
60 HD22 LEU 8 HD22 LEU 8 9.258 -0.702 3.235
61 HD23 LEU 8 HD23 LEU 8 10.286 -2.048 3.728
62 H ASP 9 HN ASP 9 11.402 -2.826 -2.154
63 HA ASP 9 HA ASP 9 13.311 -0.718 -2.009
64 HB2 ASP 9 HB2 ASP 9 13.269 -3.236 -3.682
65 HB3 ASP 9 HB1 ASP 9 14.648 -2.147 -3.554
66 H GLU 10 HN GLU 10 10.977 -1.769 -4.370
67 HA GLU 10 HA GLU 10 11.853 0.214 -6.311
68 HB2 GLU 10 HB2 GLU 10 9.491 -1.677 -6.349
69 HB3 GLU 10 HB1 GLU 10 9.963 -0.623 -7.673
70 HG2 GLU 10 HG2 GLU 10 12.128 -1.815 -7.791
71 HG3 GLU 10 HG1 GLU 10 11.538 -2.925 -6.555
72 H CYS 11 HN CYS 11 10.271 0.383 -3.526
73 HA CYS 11 HA CYS 11 8.173 2.215 -4.441
74 HB2 CYS 11 HB2 CYS 11 7.506 0.274 -3.053
75 HB3 CYS 11 HB1 CYS 11 8.557 0.849 -1.770
76 H GLU 12 HN GLU 12 9.523 4.044 -4.743
77 HA GLU 12 HA GLU 12 11.210 5.060 -2.710
78 HB2 GLU 12 HB2 GLU 12 9.919 6.439 -5.056
79 HB3 GLU 12 HB1 GLU 12 11.058 7.220 -3.974
80 HG2 GLU 12 HG2 GLU 12 12.695 5.391 -4.588
81 HG3 GLU 12 HG1 GLU 12 11.571 4.954 -5.874
82 H VAL 13 HN VAL 13 7.812 5.307 -3.345
83 HA VAL 13 HA VAL 13 7.307 7.653 -1.908
84 HB VAL 13 HB VAL 13 5.689 6.717 -3.486
85 HG11 VAL 13 HG11 VAL 13 5.963 4.353 -2.962
86 HG12 VAL 13 HG12 VAL 13 4.274 4.850 -2.906
87 HG13 VAL 13 HG13 VAL 13 5.171 4.612 -1.407
88 HG21 VAL 13 HG21 VAL 13 4.590 6.960 -0.699
89 HG22 VAL 13 HG22 VAL 13 3.661 7.115 -2.189
90 HG23 VAL 13 HG23 VAL 13 4.915 8.296 -1.801
91 H CYS 14 HN CYS 14 7.700 4.328 -0.844
92 HA CYS 14 HA CYS 14 6.797 4.679 1.808
93 HB2 CYS 14 HB2 CYS 14 8.401 2.700 0.365
94 HB3 CYS 14 HB1 CYS 14 8.857 2.877 2.055
95 H ARG 15 HN ARG 15 9.865 5.267 0.248
96 HA ARG 15 HA ARG 15 11.298 5.930 2.627
97 HB2 ARG 15 HB2 ARG 15 11.888 6.625 -0.253
98 HB3 ARG 15 HB1 ARG 15 13.021 6.767 1.085
99 HG2 ARG 15 HG2 ARG 15 13.091 4.409 1.382
100 HG3 ARG 15 HG1 ARG 15 11.752 4.171 0.259
101 HD2 ARG 15 HD2 ARG 15 13.817 3.612 -0.841
102 HD3 ARG 15 HD1 ARG 15 13.164 5.086 -1.550
103 HE ARG 15 HE ARG 15 14.927 5.873 0.443
104 HH11 ARG 15 HH11 ARG 15 15.051 4.098 -2.568
105 HH12 ARG 15 HH12 ARG 15 16.687 4.552 -2.919
106 HH21 ARG 15 HH21 ARG 15 17.092 6.485 -0.021
107 HH22 ARG 15 HH22 ARG 15 17.846 5.915 -1.479
108 H ASP 16 HN ASP 16 9.484 7.670 0.236
109 HA ASP 16 HA ASP 16 10.029 10.289 1.155
110 HB2 ASP 16 HB2 ASP 16 9.123 9.744 -1.084
111 HB3 ASP 16 HB1 ASP 16 7.615 9.239 -0.340
112 H GLY 17 HN GLY 17 8.222 7.784 2.527
113 HA2 GLY 17 HA2 GLY 17 7.388 7.944 4.749
114 HA3 GLY 17 HA1 GLY 17 7.120 9.664 4.494
115 H GLY 18 HN GLY 18 6.098 7.634 1.952
116 HA2 GLY 18 HA2 GLY 18 3.400 8.446 2.186
117 HA3 GLY 18 HA1 GLY 18 4.013 7.217 1.097
118 H GLU 19 HN GLU 19 1.583 7.383 2.736
119 HA GLU 19 HA GLU 19 1.905 5.268 4.696
120 HB2 GLU 19 HB2 GLU 19 -0.358 7.085 3.924
121 HB3 GLU 19 HB1 GLU 19 -0.642 5.675 4.937
122 HG2 GLU 19 HG2 GLU 19 1.268 7.924 5.555
123 HG3 GLU 19 HG1 GLU 19 -0.339 7.724 6.253
124 H LEU 20 HN LEU 20 0.351 3.493 4.733
125 HA LEU 20 HA LEU 20 -0.009 2.371 2.048
126 HB2 LEU 20 HB2 LEU 20 0.477 1.184 4.746
127 HB3 LEU 20 HB1 LEU 20 -0.345 0.233 3.525
128 HG LEU 20 HG LEU 20 2.335 1.498 3.001
129 HD11 LEU 20 HD11 LEU 20 1.770 -1.246 4.118
130 HD12 LEU 20 HD12 LEU 20 2.556 0.080 4.977
131 HD13 LEU 20 HD13 LEU 20 3.341 -0.653 3.578
132 HD21 LEU 20 HD21 LEU 20 2.465 -0.313 1.333
133 HD22 LEU 20 HD22 LEU 20 1.094 0.758 1.046
134 HD23 LEU 20 HD23 LEU 20 0.840 -0.824 1.779
135 H PHE 21 HN PHE 21 -1.995 1.918 1.312
136 HA PHE 21 HA PHE 21 -4.229 2.199 3.204
137 HB2 PHE 21 HB2 PHE 21 -4.148 2.706 0.212
138 HB3 PHE 21 HB1 PHE 21 -5.599 2.821 1.212
139 HD1 PHE 21 HD1 PHE 21 -5.765 4.578 2.956
140 HD2 PHE 21 HD2 PHE 21 -2.515 4.457 0.197
141 HE1 PHE 21 HE1 PHE 21 -5.175 6.888 3.545
142 HE2 PHE 21 HE2 PHE 21 -1.926 6.766 0.791
143 HZ PHE 21 HZ PHE 21 -3.252 7.983 2.465
144 H CYS 22 HN CYS 22 -2.850 -0.129 3.104
145 HA CYS 22 HA CYS 22 -4.891 -1.960 2.086
146 HB2 CYS 22 HB2 CYS 22 -2.019 -1.858 1.334
147 HB3 CYS 22 HB1 CYS 22 -2.712 -3.454 1.601
148 H CYS 23 HN CYS 23 -4.788 -4.091 3.077
149 HA CYS 23 HA CYS 23 -4.110 -4.103 5.858
150 HB2 CYS 23 HB2 CYS 23 -4.663 -6.552 4.170
151 HB3 CYS 23 HB1 CYS 23 -4.968 -6.328 5.891
152 H ASP 24 HN ASP 24 -2.594 -5.880 6.754
153 HA ASP 24 HA ASP 24 -0.016 -5.528 5.768
154 HB2 ASP 24 HB2 ASP 24 -0.420 -6.324 8.041
155 HB3 ASP 24 HB1 ASP 24 -1.051 -7.845 7.415
156 H THR 25 HN THR 25 -2.218 -8.272 5.253
157 HA THR 25 HA THR 25 -0.482 -9.757 3.615
158 HB THR 25 HB THR 25 -3.491 -9.782 3.461
159 HG1 THR 25 HG1 THR 25 -1.713 -10.980 5.336
160 HG21 THR 25 HG21 THR 25 -3.171 -12.145 2.878
161 HG22 THR 25 HG22 THR 25 -1.422 -11.930 2.978
162 HG23 THR 25 HG23 THR 25 -2.346 -11.086 1.735
163 H CYS 26 HN CYS 26 -3.062 -7.438 2.811
164 HA CYS 26 HA CYS 26 -2.854 -7.680 0.019
165 HB2 CYS 26 HB2 CYS 26 -3.787 -5.295 1.640
166 HB3 CYS 26 HB1 CYS 26 -4.119 -5.568 -0.069
167 H SER 27 HN SER 27 -1.287 -5.490 2.301
168 HA SER 27 HA SER 27 0.144 -3.969 0.394
169 HB2 SER 27 HB2 SER 27 -0.188 -3.162 2.667
170 HB3 SER 27 HB1 SER 27 0.735 -4.518 3.310
171 HG SER 27 HG SER 27 2.152 -2.859 3.212
172 H ARG 28 HN ARG 28 0.696 -7.080 1.823
173 HA ARG 28 HA ARG 28 3.475 -7.210 1.161
174 HB2 ARG 28 HB2 ARG 28 2.609 -8.520 3.001
175 HB3 ARG 28 HB1 ARG 28 1.466 -9.325 1.941
176 HG2 ARG 28 HG2 ARG 28 3.292 -10.415 0.768
177 HG3 ARG 28 HG1 ARG 28 4.461 -9.585 1.799
178 HD2 ARG 28 HD2 ARG 28 3.643 -10.715 3.743
179 HD3 ARG 28 HD1 ARG 28 2.297 -11.404 2.839
180 HE ARG 28 HE ARG 28 4.479 -12.359 1.539
181 HH11 ARG 28 HH11 ARG 28 3.532 -12.314 4.909
182 HH12 ARG 28 HH12 ARG 28 4.276 -13.838 5.274
183 HH21 ARG 28 HH21 ARG 28 5.451 -14.369 2.007
184 HH22 ARG 28 HH22 ARG 28 5.366 -15.015 3.616
185 H VAL 29 HN VAL 29 0.486 -7.879 -0.465
186 HA VAL 29 HA VAL 29 1.847 -9.381 -2.561
187 HB VAL 29 HB VAL 29 -1.097 -8.750 -2.320
188 HG11 VAL 29 HG11 VAL 29 -0.384 -9.252 -4.607
189 HG12 VAL 29 HG12 VAL 29 -1.386 -10.547 -3.952
190 HG13 VAL 29 HG13 VAL 29 0.362 -10.748 -4.049
191 HG21 VAL 29 HG21 VAL 29 -0.415 -10.107 -0.448
192 HG22 VAL 29 HG22 VAL 29 0.443 -11.212 -1.520
193 HG23 VAL 29 HG23 VAL 29 -1.316 -11.102 -1.590
194 H PHE 30 HN PHE 30 -0.107 -6.417 -2.212
195 HA PHE 30 HA PHE 30 0.730 -5.659 -4.945
196 HB2 PHE 30 HB2 PHE 30 -1.728 -4.661 -3.489
197 HB3 PHE 30 HB1 PHE 30 -1.320 -4.411 -5.183
198 HD1 PHE 30 HD1 PHE 30 -1.132 -6.611 -6.623
199 HD2 PHE 30 HD2 PHE 30 -3.197 -6.311 -2.908
200 HE1 PHE 30 HE1 PHE 30 -2.473 -8.584 -7.209
201 HE2 PHE 30 HE2 PHE 30 -4.532 -8.288 -3.490
202 HZ PHE 30 HZ PHE 30 -4.174 -9.427 -5.641
203 H HIS 31 HN HIS 31 2.448 -5.104 -2.864
204 HA HIS 31 HA HIS 31 2.073 -2.914 -1.269
205 HB2 HIS 31 HB2 HIS 31 4.038 -4.402 -1.188
206 HB3 HIS 31 HB1 HIS 31 4.649 -3.659 -2.661
207 HD1 HIS 31 HD1 HIS 31 3.777 -2.607 0.913
208 HD2 HIS 31 HD2 HIS 31 6.301 -1.570 -2.229
209 HE1 HIS 31 HE1 HIS 31 5.382 -0.868 1.826
210 H GLU 32 HN GLU 32 3.258 -2.848 -4.618
211 HA GLU 32 HA GLU 32 3.943 -0.090 -4.553
212 HB2 GLU 32 HB2 GLU 32 3.454 -1.974 -6.860
213 HB3 GLU 32 HB1 GLU 32 4.042 -0.330 -7.051
214 HG2 GLU 32 HG2 GLU 32 6.055 -0.851 -5.850
215 HG3 GLU 32 HG1 GLU 32 5.449 -2.460 -5.455
216 H ASP 33 HN ASP 33 1.104 -1.871 -5.643
217 HA ASP 33 HA ASP 33 -0.186 0.472 -6.700
218 HB2 ASP 33 HB2 ASP 33 -0.506 -1.993 -7.431
219 HB3 ASP 33 HB1 ASP 33 -1.572 -2.116 -6.036
220 H CYS 34 HN CYS 34 0.009 -1.149 -3.663
221 HA CYS 34 HA CYS 34 -2.432 -0.193 -2.545
222 HB2 CYS 34 HB2 CYS 34 0.025 -1.509 -1.437
223 HB3 CYS 34 HB1 CYS 34 -1.186 -0.839 -0.346
224 H HIS 35 HN HIS 35 0.420 1.396 -3.262
225 HA HIS 35 HA HIS 35 0.034 3.413 -1.175
226 HB2 HIS 35 HB2 HIS 35 2.174 3.016 -3.260
227 HB3 HIS 35 HB1 HIS 35 2.070 4.475 -2.274
228 HD1 HIS 35 HD1 HIS 35 2.752 4.243 0.241
229 HD2 HIS 35 HD2 HIS 35 2.990 0.722 -1.950
230 HE1 HIS 35 HE1 HIS 35 4.098 2.624 1.641
231 H ILE 36 HN ILE 36 -1.054 2.722 -4.253
232 HA ILE 36 HA ILE 36 -1.237 5.551 -5.032
233 HB ILE 36 HB ILE 36 -1.275 3.108 -6.806
234 HG12 ILE 36 HG12 ILE 36 0.897 5.188 -6.456
235 HG13 ILE 36 HG11 ILE 36 0.935 3.570 -5.764
236 HG21 ILE 36 HG21 ILE 36 -1.236 6.039 -7.513
237 HG22 ILE 36 HG22 ILE 36 -2.587 4.929 -7.735
238 HG23 ILE 36 HG23 ILE 36 -1.102 4.707 -8.660
239 HD11 ILE 36 HD11 ILE 36 0.884 4.231 -8.700
240 HD12 ILE 36 HD12 ILE 36 0.926 2.609 -8.008
241 HD13 ILE 36 HD13 ILE 36 2.290 3.705 -7.775
242 HA PRO 37 HA PRO 37 -2.208 6.985 -5.444
243 HB2 PRO 37 HB2 PRO 37 -4.175 8.777 -5.409
244 HB3 PRO 37 HB1 PRO 37 -3.856 7.819 -6.868
245 HG2 PRO 37 HG2 PRO 37 -6.022 7.522 -4.836
246 HG3 PRO 37 HG1 PRO 37 -6.079 7.256 -6.589
247 HD2 PRO 37 HD2 PRO 37 -5.767 5.273 -4.607
248 HD3 PRO 37 HD1 PRO 37 -5.509 5.069 -6.352
249 HA PRO 38 HA PRO 38 -2.224 7.660 -1.005
250 HB2 PRO 38 HB2 PRO 38 -0.960 10.259 -1.622
251 HB3 PRO 38 HB1 PRO 38 -0.359 8.926 -0.630
252 HG2 PRO 38 HG2 PRO 38 0.696 9.457 -3.044
253 HG3 PRO 38 HG1 PRO 38 0.530 7.796 -2.440
254 HD2 PRO 38 HD2 PRO 38 -1.163 9.266 -4.436
255 HD3 PRO 38 HD1 PRO 38 -0.630 7.568 -4.439
256 H VAL 39 HN VAL 39 -3.867 8.440 0.185
257 HA VAL 39 HA VAL 39 -5.647 10.423 -0.898
258 HB VAL 39 HB VAL 39 -5.696 9.225 1.876
259 HG11 VAL 39 HG11 VAL 39 -8.037 9.857 1.879
260 HG12 VAL 39 HG12 VAL 39 -7.887 10.492 0.242
261 HG13 VAL 39 HG13 VAL 39 -7.029 11.269 1.569
262 HG21 VAL 39 HG21 VAL 39 -5.780 7.423 0.267
263 HG22 VAL 39 HG22 VAL 39 -7.034 8.258 -0.647
264 HG23 VAL 39 HG23 VAL 39 -7.380 7.655 0.973
265 H GLU 40 HN GLU 40 -4.561 12.330 -1.023
266 HA GLU 40 HA GLU 40 -2.921 13.261 1.149
267 HB2 GLU 40 HB2 GLU 40 -3.705 14.633 -1.422
268 HB3 GLU 40 HB1 GLU 40 -2.463 15.179 -0.304
269 HG2 GLU 40 HG2 GLU 40 -2.421 12.555 -1.775
270 HG3 GLU 40 HG1 GLU 40 -1.561 14.008 -2.275
271 H ALA 41 HN ALA 41 -4.668 13.231 2.678
272 HA ALA 41 HA ALA 41 -5.593 15.760 3.395
273 HB1 ALA 41 HB1 ALA 41 -7.171 15.543 1.543
274 HB2 ALA 41 HB2 ALA 41 -8.021 15.507 3.088
275 HB3 ALA 41 HB3 ALA 41 -7.744 14.011 2.197
276 H GLU 42 HN GLU 42 -6.194 12.321 3.443
277 HA GLU 42 HA GLU 42 -5.993 12.254 6.318
278 HB2 GLU 42 HB2 GLU 42 -8.117 10.813 6.410
279 HB3 GLU 42 HB1 GLU 42 -8.309 12.557 6.300
280 HG2 GLU 42 HG2 GLU 42 -8.797 12.406 3.953
281 HG3 GLU 42 HG1 GLU 42 -8.469 10.675 3.959
282 H ARG 43 HN ARG 43 -4.075 11.164 5.710
283 HA ARG 43 HA ARG 43 -4.153 8.740 4.194
284 HB2 ARG 43 HB2 ARG 43 -2.010 9.954 5.934
285 HB3 ARG 43 HB1 ARG 43 -1.798 8.475 5.013
286 HG2 ARG 43 HG2 ARG 43 -2.280 9.773 2.946
287 HG3 ARG 43 HG1 ARG 43 -2.292 11.238 3.931
288 HD2 ARG 43 HD2 ARG 43 -0.016 10.912 4.571
289 HD3 ARG 43 HD1 ARG 43 0.017 9.312 3.837
290 HE ARG 43 HE ARG 43 -0.595 11.283 1.886
291 HH11 ARG 43 HH11 ARG 43 2.048 10.090 3.849
292 HH12 ARG 43 HH12 ARG 43 3.266 10.498 2.684
293 HH21 ARG 43 HH21 ARG 43 1.002 11.822 0.347
294 HH22 ARG 43 HH22 ARG 43 2.673 11.460 0.677
295 H THR 44 HN THR 44 -5.849 7.722 5.409
296 HA THR 44 HA THR 44 -5.143 6.740 8.060
297 HB THR 44 HB THR 44 -7.492 5.886 8.071
298 HG1 THR 44 HG1 THR 44 -7.431 5.948 5.589
299 HG21 THR 44 HG21 THR 44 -7.145 8.819 7.431
300 HG22 THR 44 HG22 THR 44 -7.007 8.075 9.024
301 HG23 THR 44 HG23 THR 44 -8.565 8.111 8.199
302 HA PRO 45 HA PRO 45 -3.785 2.949 5.999
303 HB2 PRO 45 HB2 PRO 45 -3.304 1.994 8.734
304 HB3 PRO 45 HB1 PRO 45 -2.159 2.209 7.405
305 HG2 PRO 45 HG2 PRO 45 -2.157 3.825 9.558
306 HG3 PRO 45 HG1 PRO 45 -1.747 4.413 7.937
307 HD2 PRO 45 HD2 PRO 45 -4.311 4.707 9.466
308 HD3 PRO 45 HD1 PRO 45 -3.456 5.897 8.457
309 H TRP 46 HN TRP 46 -6.343 3.446 8.146
310 HA TRP 46 HA TRP 46 -7.195 0.663 8.210
311 HB2 TRP 46 HB2 TRP 46 -8.678 3.093 9.253
312 HB3 TRP 46 HB1 TRP 46 -9.000 1.409 9.648
313 HD1 TRP 46 HD1 TRP 46 -7.301 0.207 11.370
314 HE1 TRP 46 HE1 TRP 46 -5.699 1.178 13.129
315 HE3 TRP 46 HE3 TRP 46 -7.141 5.049 9.744
316 HZ2 TRP 46 HZ2 TRP 46 -4.524 3.661 13.748
317 HZ3 TRP 46 HZ3 TRP 46 -5.751 6.660 10.977
318 HH2 TRP 46 HH2 TRP 46 -4.470 5.981 12.934
319 H ASN 47 HN ASN 47 -6.980 1.684 5.653
320 HA ASN 47 HA ASN 47 -9.706 1.436 4.698
321 HB2 ASN 47 HB2 ASN 47 -9.501 3.860 4.953
322 HB3 ASN 47 HB1 ASN 47 -7.989 3.852 4.053
323 HD21 ASN 47 HD21 ASN 47 -8.779 5.280 2.513
324 HD22 ASN 47 HD22 ASN 47 -9.937 4.808 1.318
325 H CYS 48 HN CYS 48 -9.164 -0.459 3.673
326 HA CYS 48 HA CYS 48 -6.779 -0.539 1.998
327 HB2 CYS 48 HB2 CYS 48 -7.307 -2.460 3.489
328 HB3 CYS 48 HB1 CYS 48 -8.815 -2.702 2.621
329 H ILE 49 HN ILE 49 -6.872 -0.067 -0.084
330 HA ILE 49 HA ILE 49 -9.381 0.508 -1.323
331 HB ILE 49 HB ILE 49 -7.842 0.748 -3.426
332 HG12 ILE 49 HG12 ILE 49 -5.813 0.851 -1.189
333 HG13 ILE 49 HG11 ILE 49 -5.899 -0.403 -2.422
334 HG21 ILE 49 HG21 ILE 49 -8.918 2.600 -2.298
335 HG22 ILE 49 HG22 ILE 49 -7.258 3.026 -2.712
336 HG23 ILE 49 HG23 ILE 49 -7.669 2.596 -1.051
337 HD11 ILE 49 HD11 ILE 49 -5.376 1.222 -4.135
338 HD12 ILE 49 HD12 ILE 49 -4.154 1.262 -2.864
339 HD13 ILE 49 HD13 ILE 49 -5.388 2.516 -2.938
340 H PHE 50 HN PHE 50 -7.370 -2.287 -1.200
341 HA PHE 50 HA PHE 50 -8.481 -3.416 -3.623
342 HB2 PHE 50 HB2 PHE 50 -6.481 -4.407 -1.613
343 HB3 PHE 50 HB1 PHE 50 -7.240 -5.532 -2.741
344 HD1 PHE 50 HD2 PHE 50 -5.218 -2.443 -2.531
345 HD2 PHE 50 HD1 PHE 50 -6.536 -5.664 -4.976
346 HE1 PHE 50 HE2 PHE 50 -3.584 -1.801 -4.252
347 HE2 PHE 50 HE1 PHE 50 -4.901 -5.035 -6.693
348 HZ PHE 50 HZ PHE 50 -3.518 -3.038 -6.401
349 H CYS 51 HN CYS 51 -8.888 -3.762 -0.140
350 HA CYS 51 HA CYS 51 -10.705 -5.959 -0.378
351 HB2 CYS 51 HB2 CYS 51 -9.869 -4.220 1.919
352 HB3 CYS 51 HB1 CYS 51 -11.206 -5.351 2.085
353 H ARG 52 HN ARG 52 -11.141 -2.565 -0.770
354 HA ARG 52 HA ARG 52 -13.954 -2.804 0.042
355 HB2 ARG 52 HB2 ARG 52 -12.270 -0.307 -0.271
356 HB3 ARG 52 HB1 ARG 52 -13.982 -0.328 0.132
357 HG2 ARG 52 HG2 ARG 52 -13.416 -1.617 2.185
358 HG3 ARG 52 HG1 ARG 52 -11.710 -1.393 1.793
359 HD2 ARG 52 HD2 ARG 52 -11.991 1.025 1.907
360 HD3 ARG 52 HD1 ARG 52 -13.708 0.817 2.258
361 HE ARG 52 HE ARG 52 -12.053 -0.575 4.117
362 HH11 ARG 52 HH11 ARG 52 -13.364 2.568 3.333
363 HH12 ARG 52 HH12 ARG 52 -13.265 3.162 4.958
364 HH21 ARG 52 HH21 ARG 52 -11.914 0.193 6.256
365 HH22 ARG 52 HH22 ARG 52 -12.430 1.807 6.624
366 H MET 53 HN MET 53 -11.923 -2.876 -2.487
367 HA MET 53 HA MET 53 -14.066 -2.298 -4.398
368 HB2 MET 53 HB2 MET 53 -11.157 -1.565 -4.846
369 HB3 MET 53 HB1 MET 53 -12.491 -1.285 -5.956
370 HG2 MET 53 HG2 MET 53 -13.481 0.286 -4.374
371 HG3 MET 53 HG1 MET 53 -12.152 -0.005 -3.255
372 HE1 MET 53 HE1 MET 53 -12.952 2.900 -4.073
373 HE2 MET 53 HE2 MET 53 -11.376 3.617 -4.407
374 HE3 MET 53 HE3 MET 53 -11.575 2.526 -3.036
375 H LYS 54 HN LYS 54 -13.576 -4.673 -3.293
376 HA LYS 54 HA LYS 54 -11.481 -6.151 -4.586
377 HB2 LYS 54 HB2 LYS 54 -12.195 -6.477 -2.202
378 HB3 LYS 54 HB1 LYS 54 -13.712 -7.132 -2.793
379 HG2 LYS 54 HG2 LYS 54 -12.576 -9.000 -3.800
380 HG3 LYS 54 HG1 LYS 54 -11.002 -8.320 -3.368
381 HD2 LYS 54 HD2 LYS 54 -11.601 -8.475 -0.993
382 HD3 LYS 54 HD1 LYS 54 -13.154 -9.181 -1.434
383 HE2 LYS 54 HE2 LYS 54 -11.998 -11.076 -2.458
384 HE3 LYS 54 HE1 LYS 54 -10.443 -10.366 -2.016
385 HZ1 LYS 54 HZ1 LYS 54 -12.554 -11.233 -0.116
386 HZ2 LYS 54 HZ2 LYS 54 -11.070 -10.543 0.309
387 HZ3 LYS 54 HZ3 LYS 54 -11.113 -12.057 -0.437
388 H GLU 55 HN GLU 55 -12.190 -5.831 -6.747
389 HA GLU 55 HA GLU 55 -14.199 -7.797 -7.569
390 HB2 GLU 55 HB2 GLU 55 -13.998 -4.948 -8.545
391 HB3 GLU 55 HB1 GLU 55 -14.933 -6.194 -9.353
392 HG2 GLU 55 HG2 GLU 55 -16.351 -6.437 -7.405
393 HG3 GLU 55 HG1 GLU 55 -15.382 -5.254 -6.530
394 H SER 56 HN SER 56 -12.468 -9.143 -8.063
395 HA SER 56 HA SER 56 -10.904 -10.130 -9.357
396 HB2 SER 56 HB2 SER 56 -11.875 -8.187 -11.463
397 HB3 SER 56 HB1 SER 56 -10.989 -9.684 -11.755
398 HG SER 56 HG SER 56 -13.655 -9.284 -11.104
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 16.737 -8.747 2.355
2 H2 GLY 1 HT2 GLY 1 17.059 -8.077 3.873
3 H3 GLY 1 HT3 GLY 1 17.825 -7.461 2.498
4 HA2 GLY 1 HA1 GLY 1 14.923 -7.331 3.074
5 HA3 GLY 1 HA2 GLY 1 16.059 -5.997 3.219
6 H ALA 2 HN ALA 2 13.882 -5.672 1.674
7 HA ALA 2 HA ALA 2 13.287 -4.787 -0.320
8 HB1 ALA 2 HB1 ALA 2 16.187 -5.069 -1.084
9 HB2 ALA 2 HB2 ALA 2 15.484 -3.695 -0.233
10 HB3 ALA 2 HB3 ALA 2 14.982 -4.061 -1.884
11 H MET 3 HN MET 3 13.696 -7.825 0.133
12 HA MET 3 HA MET 3 13.005 -8.547 -2.620
13 HB2 MET 3 HB2 MET 3 15.099 -9.971 -0.955
14 HB3 MET 3 HB1 MET 3 14.364 -10.661 -2.392
15 HG2 MET 3 HG2 MET 3 15.294 -8.912 -3.767
16 HG3 MET 3 HG1 MET 3 15.935 -8.091 -2.344
17 HE1 MET 3 HE1 MET 3 17.678 -8.824 -4.916
18 HE2 MET 3 HE2 MET 3 19.155 -9.412 -4.153
19 HE3 MET 3 HE3 MET 3 18.329 -7.996 -3.504
20 H GLY 4 HN GLY 4 11.059 -8.192 -0.983
21 HA2 GLY 4 HA2 GLY 4 9.180 -9.587 -0.438
22 HA3 GLY 4 HA1 GLY 4 10.305 -10.874 -0.026
23 H MET 5 HN MET 5 12.058 -9.642 1.632
24 HA MET 5 HA MET 5 10.397 -9.059 3.966
25 HB2 MET 5 HB2 MET 5 13.393 -9.474 3.775
26 HB3 MET 5 HB1 MET 5 12.475 -9.302 5.260
27 HG2 MET 5 HG2 MET 5 11.334 -11.380 4.861
28 HG3 MET 5 HG1 MET 5 12.094 -11.536 3.278
29 HE1 MET 5 HE1 MET 5 13.025 -13.950 3.742
30 HE2 MET 5 HE2 MET 5 12.137 -13.895 5.264
31 HE3 MET 5 HE3 MET 5 13.824 -14.404 5.246
32 H ARG 6 HN ARG 6 9.910 -7.000 4.341
33 HA ARG 6 HA ARG 6 9.872 -4.734 4.150
34 HB2 ARG 6 HB2 ARG 6 12.859 -5.048 4.505
35 HB3 ARG 6 HB1 ARG 6 11.961 -3.551 4.701
36 HG2 ARG 6 HG2 ARG 6 10.718 -4.575 6.566
37 HG3 ARG 6 HG1 ARG 6 11.704 -6.029 6.388
38 HD2 ARG 6 HD2 ARG 6 12.665 -3.260 7.098
39 HD3 ARG 6 HD1 ARG 6 12.599 -4.662 8.163
40 HE ARG 6 HE ARG 6 14.283 -4.731 5.755
41 HH11 ARG 6 HH11 ARG 6 13.971 -4.837 9.240
42 HH12 ARG 6 HH12 ARG 6 15.626 -5.280 9.501
43 HH21 ARG 6 HH21 ARG 6 16.460 -5.319 6.096
44 HH22 ARG 6 HH22 ARG 6 17.039 -5.560 7.715
45 H ASN 7 HN ASN 7 9.370 -5.473 1.831
46 HA ASN 7 HA ASN 7 11.420 -5.003 -0.137
47 HB2 ASN 7 HB2 ASN 7 9.391 -6.624 -0.279
48 HB3 ASN 7 HB1 ASN 7 8.492 -5.191 -0.767
49 HD21 ASN 7 HD21 ASN 7 8.926 -4.247 -2.776
50 HD22 ASN 7 HD22 ASN 7 9.855 -5.055 -3.986
51 H LEU 8 HN LEU 8 9.577 -3.073 1.721
52 HA LEU 8 HA LEU 8 8.820 -1.003 -0.050
53 HB2 LEU 8 HB2 LEU 8 8.632 0.325 2.116
54 HB3 LEU 8 HB1 LEU 8 7.614 -1.089 1.940
55 HG LEU 8 HG LEU 8 9.503 -2.300 3.276
56 HD11 LEU 8 HD11 LEU 8 11.097 -0.426 3.200
57 HD12 LEU 8 HD12 LEU 8 10.695 -0.916 4.845
58 HD13 LEU 8 HD13 LEU 8 9.973 0.537 4.158
59 HD21 LEU 8 HD21 LEU 8 7.621 -0.336 4.567
60 HD22 LEU 8 HD22 LEU 8 8.396 -1.699 5.374
61 HD23 LEU 8 HD23 LEU 8 7.238 -1.985 4.076
62 H ASP 9 HN ASP 9 11.838 -1.965 0.594
63 HA ASP 9 HA ASP 9 13.113 0.533 1.174
64 HB2 ASP 9 HB2 ASP 9 14.138 -1.621 1.801
65 HB3 ASP 9 HB1 ASP 9 14.302 -2.033 0.100
66 H GLU 10 HN GLU 10 12.537 -1.384 -1.727
67 HA GLU 10 HA GLU 10 13.851 0.454 -3.487
68 HB2 GLU 10 HB2 GLU 10 11.879 -1.773 -4.031
69 HB3 GLU 10 HB1 GLU 10 12.670 -0.835 -5.289
70 HG2 GLU 10 HG2 GLU 10 14.135 -2.457 -3.227
71 HG3 GLU 10 HG1 GLU 10 13.712 -3.040 -4.836
72 H CYS 11 HN CYS 11 10.693 0.147 -2.151
73 HA CYS 11 HA CYS 11 9.270 1.845 -3.896
74 HB2 CYS 11 HB2 CYS 11 8.176 0.268 -2.420
75 HB3 CYS 11 HB1 CYS 11 8.855 1.057 -1.012
76 H GLU 12 HN GLU 12 10.239 3.764 -4.281
77 HA GLU 12 HA GLU 12 11.545 5.400 -2.421
78 HB2 GLU 12 HB2 GLU 12 10.154 6.127 -4.995
79 HB3 GLU 12 HB1 GLU 12 11.192 7.216 -4.087
80 HG2 GLU 12 HG2 GLU 12 12.026 4.615 -5.343
81 HG3 GLU 12 HG1 GLU 12 12.391 6.230 -5.947
82 H VAL 13 HN VAL 13 8.218 4.876 -3.063
83 HA VAL 13 HA VAL 13 7.189 7.300 -2.048
84 HB VAL 13 HB VAL 13 5.861 4.593 -2.108
85 HG11 VAL 13 HG11 VAL 13 4.630 6.052 -0.702
86 HG12 VAL 13 HG12 VAL 13 3.782 5.991 -2.244
87 HG13 VAL 13 HG13 VAL 13 4.779 7.385 -1.844
88 HG21 VAL 13 HG21 VAL 13 5.915 6.775 -4.178
89 HG22 VAL 13 HG22 VAL 13 4.879 5.349 -4.237
90 HG23 VAL 13 HG23 VAL 13 6.632 5.171 -4.315
91 H CYS 14 HN CYS 14 7.718 4.098 -0.618
92 HA CYS 14 HA CYS 14 6.847 4.768 1.978
93 HB2 CYS 14 HB2 CYS 14 8.486 2.584 0.802
94 HB3 CYS 14 HB1 CYS 14 8.562 2.818 2.544
95 H ARG 15 HN ARG 15 9.928 5.077 0.354
96 HA ARG 15 HA ARG 15 11.450 5.775 2.644
97 HB2 ARG 15 HB2 ARG 15 11.904 6.491 -0.256
98 HB3 ARG 15 HB1 ARG 15 13.083 6.700 1.030
99 HG2 ARG 15 HG2 ARG 15 13.158 4.302 1.384
100 HG3 ARG 15 HG1 ARG 15 11.926 4.068 0.143
101 HD2 ARG 15 HD2 ARG 15 14.057 3.610 -0.839
102 HD3 ARG 15 HD1 ARG 15 13.481 5.144 -1.489
103 HE ARG 15 HE ARG 15 15.139 5.544 0.789
104 HH11 ARG 15 HH11 ARG 15 15.201 4.888 -2.654
105 HH12 ARG 15 HH12 ARG 15 16.838 5.443 -2.852
106 HH21 ARG 15 HH21 ARG 15 17.295 6.287 0.516
107 HH22 ARG 15 HH22 ARG 15 18.021 6.237 -1.058
108 H ASP 16 HN ASP 16 9.641 7.621 0.275
109 HA ASP 16 HA ASP 16 10.219 10.168 1.355
110 HB2 ASP 16 HB2 ASP 16 9.416 9.834 -0.933
111 HB3 ASP 16 HB1 ASP 16 7.873 9.258 -0.324
112 H GLY 17 HN GLY 17 8.224 7.669 2.489
113 HA2 GLY 17 HA2 GLY 17 7.307 7.791 4.698
114 HA3 GLY 17 HA1 GLY 17 7.071 9.517 4.467
115 H GLY 18 HN GLY 18 6.178 7.653 1.779
116 HA2 GLY 18 HA2 GLY 18 3.465 8.373 1.885
117 HA3 GLY 18 HA1 GLY 18 4.149 7.143 0.841
118 H GLU 19 HN GLU 19 1.605 7.199 2.260
119 HA GLU 19 HA GLU 19 1.931 5.187 4.351
120 HB2 GLU 19 HB2 GLU 19 -0.456 6.830 3.502
121 HB3 GLU 19 HB1 GLU 19 -0.484 5.649 4.804
122 HG2 GLU 19 HG2 GLU 19 1.332 6.998 5.916
123 HG3 GLU 19 HG1 GLU 19 1.062 8.229 4.683
124 H LEU 20 HN LEU 20 0.269 3.452 4.424
125 HA LEU 20 HA LEU 20 -0.112 2.308 1.741
126 HB2 LEU 20 HB2 LEU 20 0.440 1.096 4.423
127 HB3 LEU 20 HB1 LEU 20 -0.351 0.150 3.179
128 HG LEU 20 HG LEU 20 2.300 1.500 2.720
129 HD11 LEU 20 HD11 LEU 20 3.288 -0.744 3.157
130 HD12 LEU 20 HD12 LEU 20 1.730 -1.249 3.813
131 HD13 LEU 20 HD13 LEU 20 2.636 0.045 4.592
132 HD21 LEU 20 HD21 LEU 20 1.179 0.862 0.696
133 HD22 LEU 20 HD22 LEU 20 0.796 -0.727 1.351
134 HD23 LEU 20 HD23 LEU 20 2.469 -0.303 0.995
135 H PHE 21 HN PHE 21 -2.115 1.795 1.078
136 HA PHE 21 HA PHE 21 -4.313 2.258 2.986
137 HB2 PHE 21 HB2 PHE 21 -4.486 2.279 -0.041
138 HB3 PHE 21 HB1 PHE 21 -5.662 2.928 1.107
139 HD1 PHE 21 HD1 PHE 21 -4.755 4.816 2.677
140 HD2 PHE 21 HD2 PHE 21 -2.964 3.716 -1.026
141 HE1 PHE 21 HE1 PHE 21 -3.714 7.037 2.521
142 HE2 PHE 21 HE2 PHE 21 -1.919 5.930 -1.181
143 HZ PHE 21 HZ PHE 21 -2.129 7.520 0.669
144 H CYS 22 HN CYS 22 -2.969 -0.181 3.005
145 HA CYS 22 HA CYS 22 -5.081 -2.011 2.135
146 HB2 CYS 22 HB2 CYS 22 -2.180 -2.100 1.361
147 HB3 CYS 22 HB1 CYS 22 -3.148 -3.568 1.385
148 H CYS 23 HN CYS 23 -4.821 -4.220 3.090
149 HA CYS 23 HA CYS 23 -4.173 -4.172 5.876
150 HB2 CYS 23 HB2 CYS 23 -4.557 -6.659 4.191
151 HB3 CYS 23 HB1 CYS 23 -4.857 -6.469 5.917
152 H ASP 24 HN ASP 24 -2.602 -5.825 6.846
153 HA ASP 24 HA ASP 24 0.001 -5.501 6.041
154 HB2 ASP 24 HB2 ASP 24 -1.261 -7.816 7.511
155 HB3 ASP 24 HB1 ASP 24 0.473 -7.697 7.246
156 H THR 25 HN THR 25 -2.007 -8.350 5.325
157 HA THR 25 HA THR 25 -0.155 -9.606 3.643
158 HB THR 25 HB THR 25 -3.166 -9.845 3.574
159 HG1 THR 25 HG1 THR 25 -1.224 -10.733 5.344
160 HG21 THR 25 HG21 THR 25 -2.076 -10.846 1.619
161 HG22 THR 25 HG22 THR 25 -2.750 -12.086 2.677
162 HG23 THR 25 HG23 THR 25 -1.015 -11.768 2.682
163 H CYS 26 HN CYS 26 -2.915 -7.505 2.860
164 HA CYS 26 HA CYS 26 -2.705 -7.721 0.074
165 HB2 CYS 26 HB2 CYS 26 -3.835 -5.432 1.696
166 HB3 CYS 26 HB1 CYS 26 -4.172 -5.754 -0.002
167 H SER 27 HN SER 27 -1.311 -5.396 2.336
168 HA SER 27 HA SER 27 -0.176 -3.664 0.419
169 HB2 SER 27 HB2 SER 27 0.577 -4.209 3.291
170 HB3 SER 27 HB1 SER 27 1.282 -2.921 2.321
171 HG SER 27 HG SER 27 -0.518 -2.274 3.650
172 H ARG 28 HN ARG 28 0.921 -6.687 1.746
173 HA ARG 28 HA ARG 28 3.616 -6.246 0.795
174 HB2 ARG 28 HB2 ARG 28 2.321 -8.532 2.268
175 HB3 ARG 28 HB1 ARG 28 4.002 -8.560 1.735
176 HG2 ARG 28 HG2 ARG 28 4.543 -6.679 3.103
177 HG3 ARG 28 HG1 ARG 28 2.848 -6.407 3.495
178 HD2 ARG 28 HD2 ARG 28 2.821 -8.609 4.641
179 HD3 ARG 28 HD1 ARG 28 4.556 -8.739 4.345
180 HE ARG 28 HE ARG 28 4.439 -6.390 5.579
181 HH11 ARG 28 HH11 ARG 28 2.925 -9.437 6.384
182 HH12 ARG 28 HH12 ARG 28 2.823 -9.089 8.079
183 HH21 ARG 28 HH21 ARG 28 4.324 -5.924 7.813
184 HH22 ARG 28 HH22 ARG 28 3.625 -7.087 8.892
185 H VAL 29 HN VAL 29 0.712 -7.668 -0.364
186 HA VAL 29 HA VAL 29 2.116 -9.105 -2.464
187 HB VAL 29 HB VAL 29 -0.856 -8.763 -2.026
188 HG11 VAL 29 HG11 VAL 29 0.656 -10.611 -3.871
189 HG12 VAL 29 HG12 VAL 29 -0.326 -9.229 -4.358
190 HG13 VAL 29 HG13 VAL 29 -1.086 -10.629 -3.601
191 HG21 VAL 29 HG21 VAL 29 0.972 -11.070 -1.372
192 HG22 VAL 29 HG22 VAL 29 -0.786 -11.082 -1.223
193 HG23 VAL 29 HG23 VAL 29 0.179 -10.006 -0.212
194 H PHE 30 HN PHE 30 -0.082 -6.309 -2.150
195 HA PHE 30 HA PHE 30 0.593 -5.588 -4.936
196 HB2 PHE 30 HB2 PHE 30 -1.821 -4.640 -3.369
197 HB3 PHE 30 HB1 PHE 30 -1.514 -4.416 -5.087
198 HD1 PHE 30 HD1 PHE 30 -1.224 -6.702 -6.434
199 HD2 PHE 30 HD2 PHE 30 -3.284 -6.271 -2.733
200 HE1 PHE 30 HE1 PHE 30 -2.511 -8.739 -6.915
201 HE2 PHE 30 HE2 PHE 30 -4.566 -8.314 -3.204
202 HZ PHE 30 HZ PHE 30 -4.183 -9.552 -5.301
203 H HIS 31 HN HIS 31 2.456 -4.888 -3.111
204 HA HIS 31 HA HIS 31 2.064 -2.708 -1.467
205 HB2 HIS 31 HB2 HIS 31 4.066 -4.201 -1.548
206 HB3 HIS 31 HB1 HIS 31 4.605 -3.325 -2.975
207 HD1 HIS 31 HD1 HIS 31 3.677 -2.466 0.635
208 HD2 HIS 31 HD2 HIS 31 6.323 -1.352 -2.369
209 HE1 HIS 31 HE1 HIS 31 5.263 -0.779 1.671
210 H GLU 32 HN GLU 32 3.160 -2.659 -4.843
211 HA GLU 32 HA GLU 32 3.678 0.138 -4.856
212 HB2 GLU 32 HB2 GLU 32 3.289 -1.822 -7.119
213 HB3 GLU 32 HB1 GLU 32 3.846 -0.167 -7.323
214 HG2 GLU 32 HG2 GLU 32 5.864 -0.601 -6.183
215 HG3 GLU 32 HG1 GLU 32 5.281 -2.153 -5.589
216 H ASP 33 HN ASP 33 0.947 -1.856 -5.710
217 HA ASP 33 HA ASP 33 -0.538 0.308 -6.892
218 HB2 ASP 33 HB2 ASP 33 -1.390 -2.474 -6.050
219 HB3 ASP 33 HB1 ASP 33 -2.440 -1.324 -6.871
220 H CYS 34 HN CYS 34 -0.082 -1.026 -3.748
221 HA CYS 34 HA CYS 34 -2.484 0.096 -2.621
222 HB2 CYS 34 HB2 CYS 34 -0.101 -1.350 -1.484
223 HB3 CYS 34 HB1 CYS 34 -1.310 -0.613 -0.432
224 H HIS 35 HN HIS 35 0.303 1.515 -3.621
225 HA HIS 35 HA HIS 35 0.190 3.596 -1.557
226 HB2 HIS 35 HB2 HIS 35 2.188 2.998 -3.737
227 HB3 HIS 35 HB1 HIS 35 2.184 4.536 -2.873
228 HD1 HIS 35 HD1 HIS 35 2.587 4.346 -0.200
229 HD2 HIS 35 HD2 HIS 35 3.292 0.901 -2.411
230 HE1 HIS 35 HE1 HIS 35 3.872 2.782 1.313
231 H ILE 36 HN ILE 36 -1.476 2.871 -4.184
232 HA ILE 36 HA ILE 36 -1.819 5.680 -5.013
233 HB ILE 36 HB ILE 36 -2.350 3.233 -6.715
234 HG12 ILE 36 HG12 ILE 36 -0.014 5.154 -6.838
235 HG13 ILE 36 HG11 ILE 36 0.063 3.491 -6.269
236 HG21 ILE 36 HG21 ILE 36 -2.551 4.820 -8.554
237 HG22 ILE 36 HG22 ILE 36 -2.238 6.156 -7.449
238 HG23 ILE 36 HG23 ILE 36 -3.705 5.195 -7.274
239 HD11 ILE 36 HD11 ILE 36 0.912 3.659 -8.522
240 HD12 ILE 36 HD12 ILE 36 -0.599 4.391 -9.062
241 HD13 ILE 36 HD13 ILE 36 -0.580 2.718 -8.506
242 HA PRO 37 HA PRO 37 -3.326 7.000 -5.890
243 HB2 PRO 37 HB2 PRO 37 -5.229 8.469 -4.220
244 HB3 PRO 37 HB1 PRO 37 -5.144 8.375 -5.986
245 HG2 PRO 37 HG2 PRO 37 -7.145 7.234 -4.561
246 HG3 PRO 37 HG1 PRO 37 -6.542 6.548 -6.085
247 HD2 PRO 37 HD2 PRO 37 -5.915 5.737 -3.260
248 HD3 PRO 37 HD1 PRO 37 -6.270 4.711 -4.671
249 HA PRO 38 HA PRO 38 -0.399 7.936 -2.753
250 HB2 PRO 38 HB2 PRO 38 0.302 10.466 -3.626
251 HB3 PRO 38 HB1 PRO 38 0.966 8.954 -4.253
252 HG2 PRO 38 HG2 PRO 38 -1.201 10.687 -5.359
253 HG3 PRO 38 HG1 PRO 38 0.071 9.796 -6.219
254 HD2 PRO 38 HD2 PRO 38 -2.469 8.899 -6.127
255 HD3 PRO 38 HD1 PRO 38 -1.085 7.780 -6.098
256 H VAL 39 HN VAL 39 0.041 9.342 -1.002
257 HA VAL 39 HA VAL 39 -2.215 10.210 0.403
258 HB VAL 39 HB VAL 39 0.687 10.911 0.848
259 HG11 VAL 39 HG11 VAL 39 -0.750 12.523 1.968
260 HG12 VAL 39 HG12 VAL 39 0.037 11.466 3.140
261 HG13 VAL 39 HG13 VAL 39 -1.656 11.209 2.718
262 HG21 VAL 39 HG21 VAL 39 0.623 9.157 2.544
263 HG22 VAL 39 HG22 VAL 39 0.235 8.515 0.950
264 HG23 VAL 39 HG23 VAL 39 -1.051 8.804 2.122
265 H GLU 40 HN GLU 40 -3.386 11.980 0.230
266 HA GLU 40 HA GLU 40 -2.264 14.526 -0.505
267 HB2 GLU 40 HB2 GLU 40 -2.621 13.411 -2.705
268 HB3 GLU 40 HB1 GLU 40 -4.321 13.227 -2.305
269 HG2 GLU 40 HG2 GLU 40 -3.988 15.113 -3.781
270 HG3 GLU 40 HG1 GLU 40 -4.561 15.651 -2.203
271 H ALA 41 HN ALA 41 -5.478 13.050 -0.789
272 HA ALA 41 HA ALA 41 -6.408 14.249 1.650
273 HB1 ALA 41 HB1 ALA 41 -7.488 15.204 -1.001
274 HB2 ALA 41 HB2 ALA 41 -6.595 16.167 0.174
275 HB3 ALA 41 HB3 ALA 41 -8.200 15.559 0.572
276 H GLU 42 HN GLU 42 -8.324 13.290 2.366
277 HA GLU 42 HA GLU 42 -9.981 11.753 2.541
278 HB2 GLU 42 HB2 GLU 42 -9.959 12.013 -0.460
279 HB3 GLU 42 HB1 GLU 42 -11.175 11.114 0.435
280 HG2 GLU 42 HG2 GLU 42 -10.592 14.028 0.873
281 HG3 GLU 42 HG1 GLU 42 -11.837 13.428 -0.224
282 H ARG 43 HN ARG 43 -7.093 10.920 2.041
283 HA ARG 43 HA ARG 43 -7.439 8.254 0.931
284 HB2 ARG 43 HB2 ARG 43 -4.978 9.441 2.219
285 HB3 ARG 43 HB1 ARG 43 -5.054 8.000 1.221
286 HG2 ARG 43 HG2 ARG 43 -5.531 10.830 0.309
287 HG3 ARG 43 HG1 ARG 43 -4.105 9.846 -0.005
288 HD2 ARG 43 HD2 ARG 43 -5.574 8.227 -1.209
289 HD3 ARG 43 HD1 ARG 43 -6.900 9.375 -1.018
290 HE ARG 43 HE ARG 43 -4.401 10.090 -2.419
291 HH11 ARG 43 HH11 ARG 43 -7.912 9.904 -2.332
292 HH12 ARG 43 HH12 ARG 43 -8.115 10.785 -3.812
293 HH21 ARG 43 HH21 ARG 43 -4.679 11.255 -4.359
294 HH22 ARG 43 HH22 ARG 43 -6.280 11.555 -4.960
295 H THR 44 HN THR 44 -7.341 6.364 2.121
296 HA THR 44 HA THR 44 -7.539 6.730 5.037
297 HB THR 44 HB THR 44 -9.069 4.742 5.006
298 HG1 THR 44 HG1 THR 44 -8.435 3.950 2.921
299 HG21 THR 44 HG21 THR 44 -9.955 7.135 3.386
300 HG22 THR 44 HG22 THR 44 -9.971 7.011 5.144
301 HG23 THR 44 HG23 THR 44 -11.027 5.979 4.179
302 HA PRO 45 HA PRO 45 -3.966 3.887 4.444
303 HB2 PRO 45 HB2 PRO 45 -3.162 4.939 7.063
304 HB3 PRO 45 HB1 PRO 45 -2.282 4.957 5.531
305 HG2 PRO 45 HG2 PRO 45 -3.304 7.203 6.611
306 HG3 PRO 45 HG1 PRO 45 -3.219 6.951 4.858
307 HD2 PRO 45 HD2 PRO 45 -5.566 6.657 6.705
308 HD3 PRO 45 HD1 PRO 45 -5.495 7.387 5.083
309 H TRP 46 HN TRP 46 -6.255 4.323 6.990
310 HA TRP 46 HA TRP 46 -5.556 1.772 8.233
311 HB2 TRP 46 HB2 TRP 46 -7.354 2.419 9.888
312 HB3 TRP 46 HB1 TRP 46 -5.987 3.529 9.818
313 HD1 TRP 46 HD1 TRP 46 -9.707 3.294 8.893
314 HE1 TRP 46 HE1 TRP 46 -10.606 5.668 8.487
315 HE3 TRP 46 HE3 TRP 46 -5.305 5.887 9.155
316 HZ2 TRP 46 HZ2 TRP 46 -9.586 8.287 8.305
317 HZ3 TRP 46 HZ3 TRP 46 -5.358 8.329 8.853
318 HH2 TRP 46 HH2 TRP 46 -7.452 9.500 8.436
319 H ASN 47 HN ASN 47 -6.903 2.242 5.525
320 HA ASN 47 HA ASN 47 -8.982 0.238 5.903
321 HB2 ASN 47 HB2 ASN 47 -10.137 2.452 5.966
322 HB3 ASN 47 HB1 ASN 47 -9.478 2.807 4.374
323 HD21 ASN 47 HD21 ASN 47 -11.735 0.805 6.151
324 HD22 ASN 47 HD22 ASN 47 -12.649 0.290 4.773
325 H CYS 48 HN CYS 48 -9.204 -1.119 4.147
326 HA CYS 48 HA CYS 48 -7.027 -0.912 2.205
327 HB2 CYS 48 HB2 CYS 48 -7.292 -2.934 3.639
328 HB3 CYS 48 HB1 CYS 48 -8.846 -3.229 2.881
329 H ILE 49 HN ILE 49 -7.432 -0.279 0.206
330 HA ILE 49 HA ILE 49 -10.107 0.131 -0.713
331 HB ILE 49 HB ILE 49 -8.915 0.744 -2.908
332 HG12 ILE 49 HG12 ILE 49 -6.519 0.674 -1.071
333 HG13 ILE 49 HG11 ILE 49 -6.807 -0.463 -2.383
334 HG21 ILE 49 HG21 ILE 49 -9.801 2.406 -1.397
335 HG22 ILE 49 HG22 ILE 49 -8.224 2.931 -1.987
336 HG23 ILE 49 HG23 ILE 49 -8.380 2.268 -0.362
337 HD11 ILE 49 HD11 ILE 49 -6.688 1.387 -3.985
338 HD12 ILE 49 HD12 ILE 49 -5.210 1.235 -3.034
339 HD13 ILE 49 HD13 ILE 49 -6.375 2.503 -2.655
340 H PHE 50 HN PHE 50 -7.824 -2.454 -1.063
341 HA PHE 50 HA PHE 50 -9.022 -3.470 -3.500
342 HB2 PHE 50 HB2 PHE 50 -6.837 -4.506 -1.690
343 HB3 PHE 50 HB1 PHE 50 -7.505 -5.489 -2.995
344 HD1 PHE 50 HD2 PHE 50 -5.630 -2.421 -2.209
345 HD2 PHE 50 HD1 PHE 50 -6.973 -5.058 -5.264
346 HE1 PHE 50 HE2 PHE 50 -4.128 -1.321 -3.813
347 HE2 PHE 50 HE1 PHE 50 -5.474 -3.963 -6.875
348 HZ PHE 50 HZ PHE 50 -4.052 -2.090 -6.151
349 H CYS 51 HN CYS 51 -8.920 -4.332 -0.072
350 HA CYS 51 HA CYS 51 -10.826 -6.408 -0.197
351 HB2 CYS 51 HB2 CYS 51 -9.902 -4.627 2.047
352 HB3 CYS 51 HB1 CYS 51 -11.211 -5.778 2.284
353 H ARG 52 HN ARG 52 -11.174 -3.108 -0.738
354 HA ARG 52 HA ARG 52 -13.943 -3.024 0.217
355 HB2 ARG 52 HB2 ARG 52 -12.483 -1.082 0.802
356 HB3 ARG 52 HB1 ARG 52 -12.254 -0.772 -0.914
357 HG2 ARG 52 HG2 ARG 52 -14.830 -0.622 -0.998
358 HG3 ARG 52 HG1 ARG 52 -14.713 -0.425 0.751
359 HD2 ARG 52 HD2 ARG 52 -13.344 1.297 -1.310
360 HD3 ARG 52 HD1 ARG 52 -14.803 1.724 -0.424
361 HE ARG 52 HE ARG 52 -12.547 1.090 1.253
362 HH11 ARG 52 HH11 ARG 52 -14.278 3.598 -0.465
363 HH12 ARG 52 HH12 ARG 52 -13.572 4.892 0.448
364 HH21 ARG 52 HH21 ARG 52 -11.618 2.781 2.463
365 HH22 ARG 52 HH22 ARG 52 -12.069 4.427 2.131
366 H MET 53 HN MET 53 -11.982 -3.542 -2.441
367 HA MET 53 HA MET 53 -12.206 -3.705 -4.691
368 HB2 MET 53 HB2 MET 53 -15.031 -4.362 -3.861
369 HB3 MET 53 HB1 MET 53 -14.409 -4.586 -5.492
370 HG2 MET 53 HG2 MET 53 -12.741 -6.146 -4.653
371 HG3 MET 53 HG1 MET 53 -13.336 -5.909 -3.011
372 HE1 MET 53 HE1 MET 53 -12.991 -8.756 -4.438
373 HE2 MET 53 HE2 MET 53 -14.464 -9.561 -3.902
374 HE3 MET 53 HE3 MET 53 -13.550 -8.554 -2.779
375 H LYS 54 HN LYS 54 -12.683 -1.091 -3.445
376 HA LYS 54 HA LYS 54 -13.786 0.189 -5.825
377 HB2 LYS 54 HB2 LYS 54 -15.592 0.064 -4.090
378 HB3 LYS 54 HB1 LYS 54 -14.566 1.010 -3.022
379 HG2 LYS 54 HG2 LYS 54 -16.163 2.473 -4.025
380 HG3 LYS 54 HG1 LYS 54 -14.581 2.833 -4.718
381 HD2 LYS 54 HD2 LYS 54 -15.130 1.543 -6.698
382 HD3 LYS 54 HD1 LYS 54 -16.682 1.087 -5.995
383 HE2 LYS 54 HE2 LYS 54 -17.041 2.870 -7.561
384 HE3 LYS 54 HE1 LYS 54 -17.303 3.484 -5.931
385 HZ1 LYS 54 HZ1 LYS 54 -16.028 5.018 -7.310
386 HZ2 LYS 54 HZ2 LYS 54 -14.822 3.856 -7.520
387 HZ3 LYS 54 HZ3 LYS 54 -15.117 4.499 -5.979
388 H GLU 55 HN GLU 55 -11.959 1.150 -6.517
389 HA GLU 55 HA GLU 55 -10.026 2.261 -4.703
390 HB2 GLU 55 HB2 GLU 55 -9.411 1.242 -6.885
391 HB3 GLU 55 HB1 GLU 55 -10.219 2.572 -7.701
392 HG2 GLU 55 HG2 GLU 55 -8.644 4.108 -6.451
393 HG3 GLU 55 HG1 GLU 55 -7.737 2.658 -6.018
394 H SER 56 HN SER 56 -11.318 3.756 -3.576
395 HA SER 56 HA SER 56 -12.401 5.690 -3.110
396 HB2 SER 56 HB2 SER 56 -11.260 7.737 -4.088
397 HB3 SER 56 HB1 SER 56 -10.211 6.611 -3.233
398 HG SER 56 HG SER 56 -10.420 6.011 -5.879
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 15.951 -13.283 1.502
2 H2 GLY 1 HT2 GLY 1 17.135 -13.623 2.658
3 H3 GLY 1 HT3 GLY 1 17.093 -12.108 1.914
4 HA2 GLY 1 HA1 GLY 1 16.206 -11.981 4.150
5 HA3 GLY 1 HA2 GLY 1 14.986 -11.601 2.943
6 H ALA 2 HN ALA 2 15.467 -13.209 5.735
7 HA ALA 2 HA ALA 2 13.162 -14.937 5.257
8 HB1 ALA 2 HB1 ALA 2 15.074 -16.397 4.850
9 HB2 ALA 2 HB2 ALA 2 14.236 -16.864 6.329
10 HB3 ALA 2 HB3 ALA 2 15.750 -15.967 6.421
11 H MET 3 HN MET 3 13.137 -12.560 6.588
12 HA MET 3 HA MET 3 12.432 -13.450 9.270
13 HB2 MET 3 HB2 MET 3 14.825 -12.579 9.304
14 HB3 MET 3 HB1 MET 3 14.168 -11.000 8.895
15 HG2 MET 3 HG2 MET 3 12.870 -10.990 10.955
16 HG3 MET 3 HG1 MET 3 13.478 -12.594 11.359
17 HE1 MET 3 HE1 MET 3 16.560 -12.356 10.435
18 HE2 MET 3 HE2 MET 3 15.991 -13.124 11.916
19 HE3 MET 3 HE3 MET 3 17.275 -11.916 11.986
20 H GLY 4 HN GLY 4 11.003 -12.707 6.899
21 HA2 GLY 4 HA2 GLY 4 8.791 -11.578 7.325
22 HA3 GLY 4 HA1 GLY 4 9.755 -10.170 7.746
23 H MET 5 HN MET 5 7.879 -9.890 5.823
24 HA MET 5 HA MET 5 9.324 -10.027 3.276
25 HB2 MET 5 HB2 MET 5 7.079 -10.941 3.190
26 HB3 MET 5 HB1 MET 5 6.412 -9.471 3.885
27 HG2 MET 5 HG2 MET 5 6.013 -9.625 1.476
28 HG3 MET 5 HG1 MET 5 6.987 -8.220 1.900
29 HE1 MET 5 HE1 MET 5 6.971 -11.811 0.317
30 HE2 MET 5 HE2 MET 5 8.121 -11.992 1.641
31 HE3 MET 5 HE3 MET 5 8.683 -12.062 -0.027
32 H ARG 6 HN ARG 6 10.747 -8.340 3.472
33 HA ARG 6 HA ARG 6 9.543 -5.662 3.718
34 HB2 ARG 6 HB2 ARG 6 12.343 -6.573 4.402
35 HB3 ARG 6 HB1 ARG 6 11.824 -4.895 4.396
36 HG2 ARG 6 HG2 ARG 6 10.174 -5.433 6.153
37 HG3 ARG 6 HG1 ARG 6 10.796 -7.086 6.189
38 HD2 ARG 6 HD2 ARG 6 12.986 -6.280 6.836
39 HD3 ARG 6 HD1 ARG 6 12.441 -4.612 6.703
40 HE ARG 6 HE ARG 6 10.854 -6.094 8.549
41 HH11 ARG 6 HH11 ARG 6 13.930 -4.475 8.167
42 HH12 ARG 6 HH12 ARG 6 14.089 -4.092 9.849
43 HH21 ARG 6 HH21 ARG 6 11.067 -5.598 10.784
44 HH22 ARG 6 HH22 ARG 6 12.471 -4.748 11.341
45 H ASN 7 HN ASN 7 9.218 -5.010 1.652
46 HA ASN 7 HA ASN 7 11.642 -4.726 0.041
47 HB2 ASN 7 HB2 ASN 7 10.200 -6.676 -0.783
48 HB3 ASN 7 HB1 ASN 7 9.025 -5.453 -1.262
49 HD21 ASN 7 HD21 ASN 7 10.514 -7.293 -2.969
50 HD22 ASN 7 HD22 ASN 7 11.432 -6.312 -4.060
51 H LEU 8 HN LEU 8 10.885 -2.751 1.542
52 HA LEU 8 HA LEU 8 9.327 -0.938 -0.128
53 HB2 LEU 8 HB2 LEU 8 9.582 0.667 1.779
54 HB3 LEU 8 HB1 LEU 8 8.680 -0.787 2.150
55 HG LEU 8 HG LEU 8 10.964 -1.644 3.090
56 HD11 LEU 8 HD11 LEU 8 12.367 0.106 4.026
57 HD12 LEU 8 HD12 LEU 8 11.369 1.339 3.258
58 HD13 LEU 8 HD13 LEU 8 12.314 0.229 2.267
59 HD21 LEU 8 HD21 LEU 8 10.393 -0.706 5.275
60 HD22 LEU 8 HD22 LEU 8 8.961 -1.271 4.414
61 HD23 LEU 8 HD23 LEU 8 9.319 0.455 4.495
62 H ASP 9 HN ASP 9 12.250 -2.072 -0.173
63 HA ASP 9 HA ASP 9 13.896 0.256 -0.250
64 HB2 ASP 9 HB2 ASP 9 14.351 -2.546 -1.286
65 HB3 ASP 9 HB1 ASP 9 15.569 -1.277 -1.330
66 H GLU 10 HN GLU 10 12.101 -1.627 -2.578
67 HA GLU 10 HA GLU 10 13.023 0.051 -4.777
68 HB2 GLU 10 HB2 GLU 10 11.086 -2.271 -4.755
69 HB3 GLU 10 HB1 GLU 10 11.649 -1.429 -6.194
70 HG2 GLU 10 HG2 GLU 10 13.936 -2.137 -5.713
71 HG3 GLU 10 HG1 GLU 10 13.367 -2.978 -4.271
72 H CYS 11 HN CYS 11 10.992 0.491 -2.394
73 HA CYS 11 HA CYS 11 8.828 1.686 -3.969
74 HB2 CYS 11 HB2 CYS 11 8.238 0.012 -2.226
75 HB3 CYS 11 HB1 CYS 11 8.956 1.060 -1.015
76 H GLU 12 HN GLU 12 9.795 3.599 -4.547
77 HA GLU 12 HA GLU 12 11.407 5.200 -2.913
78 HB2 GLU 12 HB2 GLU 12 9.679 5.989 -5.261
79 HB3 GLU 12 HB1 GLU 12 10.956 6.977 -4.566
80 HG2 GLU 12 HG2 GLU 12 11.366 4.261 -5.789
81 HG3 GLU 12 HG1 GLU 12 11.643 5.793 -6.615
82 H VAL 13 HN VAL 13 7.955 5.094 -3.403
83 HA VAL 13 HA VAL 13 7.366 7.542 -2.152
84 HB VAL 13 HB VAL 13 5.781 6.561 -3.668
85 HG11 VAL 13 HG11 VAL 13 6.317 4.202 -3.174
86 HG12 VAL 13 HG12 VAL 13 4.592 4.535 -3.245
87 HG13 VAL 13 HG13 VAL 13 5.386 4.340 -1.684
88 HG21 VAL 13 HG21 VAL 13 3.742 6.778 -2.389
89 HG22 VAL 13 HG22 VAL 13 4.915 7.980 -1.847
90 HG23 VAL 13 HG23 VAL 13 4.629 6.527 -0.888
91 H CYS 14 HN CYS 14 7.972 4.338 -0.901
92 HA CYS 14 HA CYS 14 6.896 4.754 1.694
93 HB2 CYS 14 HB2 CYS 14 8.561 2.752 0.396
94 HB3 CYS 14 HB1 CYS 14 9.074 3.066 2.048
95 H ARG 15 HN ARG 15 10.039 5.354 0.239
96 HA ARG 15 HA ARG 15 11.261 6.173 2.684
97 HB2 ARG 15 HB2 ARG 15 12.120 6.608 -0.175
98 HB3 ARG 15 HB1 ARG 15 13.106 6.985 1.234
99 HG2 ARG 15 HG2 ARG 15 12.847 4.544 1.886
100 HG3 ARG 15 HG1 ARG 15 12.206 4.293 0.264
101 HD2 ARG 15 HD2 ARG 15 14.892 5.523 0.839
102 HD3 ARG 15 HD1 ARG 15 14.646 3.809 0.533
103 HE ARG 15 HE ARG 15 13.550 4.896 -1.648
104 HH11 ARG 15 HH11 ARG 15 16.576 5.573 -0.026
105 HH12 ARG 15 HH12 ARG 15 17.428 5.946 -1.492
106 HH21 ARG 15 HH21 ARG 15 14.669 5.356 -3.592
107 HH22 ARG 15 HH22 ARG 15 16.340 5.844 -3.515
108 H ASP 16 HN ASP 16 9.470 7.761 0.179
109 HA ASP 16 HA ASP 16 9.962 10.402 1.186
110 HB2 ASP 16 HB2 ASP 16 8.085 9.255 -0.847
111 HB3 ASP 16 HB1 ASP 16 7.861 10.904 -0.275
112 H GLY 17 HN GLY 17 8.457 7.964 2.636
113 HA2 GLY 17 HA2 GLY 17 7.307 8.051 4.647
114 HA3 GLY 17 HA1 GLY 17 7.096 9.779 4.414
115 H GLY 18 HN GLY 18 6.175 7.553 1.924
116 HA2 GLY 18 HA2 GLY 18 3.499 8.461 1.861
117 HA3 GLY 18 HA1 GLY 18 4.140 7.080 0.989
118 H GLU 19 HN GLU 19 1.590 7.118 2.013
119 HA GLU 19 HA GLU 19 1.736 5.413 4.401
120 HB2 GLU 19 HB2 GLU 19 -0.554 7.020 3.270
121 HB3 GLU 19 HB1 GLU 19 -0.692 5.953 4.660
122 HG2 GLU 19 HG2 GLU 19 1.164 7.382 5.699
123 HG3 GLU 19 HG1 GLU 19 0.821 8.533 4.409
124 H LEU 20 HN LEU 20 0.415 3.567 4.523
125 HA LEU 20 HA LEU 20 -0.087 2.302 1.932
126 HB2 LEU 20 HB2 LEU 20 0.335 1.260 4.713
127 HB3 LEU 20 HB1 LEU 20 -0.436 0.260 3.498
128 HG LEU 20 HG LEU 20 2.296 1.479 3.111
129 HD11 LEU 20 HD11 LEU 20 2.341 0.032 5.080
130 HD12 LEU 20 HD12 LEU 20 3.196 -0.715 3.730
131 HD13 LEU 20 HD13 LEU 20 1.574 -1.261 4.157
132 HD21 LEU 20 HD21 LEU 20 1.164 0.791 1.064
133 HD22 LEU 20 HD22 LEU 20 0.838 -0.796 1.758
134 HD23 LEU 20 HD23 LEU 20 2.496 -0.305 1.427
135 H PHE 21 HN PHE 21 -2.111 1.935 1.235
136 HA PHE 21 HA PHE 21 -4.299 2.455 3.136
137 HB2 PHE 21 HB2 PHE 21 -4.381 2.569 0.106
138 HB3 PHE 21 HB1 PHE 21 -5.665 3.065 1.209
139 HD1 PHE 21 HD1 PHE 21 -5.116 4.986 2.851
140 HD2 PHE 21 HD2 PHE 21 -2.806 4.121 -0.627
141 HE1 PHE 21 HE1 PHE 21 -4.218 7.267 2.877
142 HE2 PHE 21 HE2 PHE 21 -1.907 6.403 -0.594
143 HZ PHE 21 HZ PHE 21 -2.532 7.948 1.221
144 H CYS 22 HN CYS 22 -2.879 -0.001 2.951
145 HA CYS 22 HA CYS 22 -5.039 -1.801 2.117
146 HB2 CYS 22 HB2 CYS 22 -2.133 -1.923 1.379
147 HB3 CYS 22 HB1 CYS 22 -3.069 -3.411 1.511
148 H CYS 23 HN CYS 23 -5.019 -3.845 3.178
149 HA CYS 23 HA CYS 23 -4.010 -3.754 5.883
150 HB2 CYS 23 HB2 CYS 23 -5.298 -5.731 6.259
151 HB3 CYS 23 HB1 CYS 23 -6.275 -4.733 5.181
152 H ASP 24 HN ASP 24 -2.861 -5.874 6.649
153 HA ASP 24 HA ASP 24 -0.313 -5.837 5.599
154 HB2 ASP 24 HB2 ASP 24 -1.640 -8.093 7.106
155 HB3 ASP 24 HB1 ASP 24 0.094 -7.938 6.847
156 H THR 25 HN THR 25 -2.833 -8.239 4.961
157 HA THR 25 HA THR 25 -1.267 -9.974 3.431
158 HB THR 25 HB THR 25 -4.252 -9.553 3.241
159 HG1 THR 25 HG1 THR 25 -2.598 -10.974 5.061
160 HG21 THR 25 HG21 THR 25 -3.338 -10.952 1.442
161 HG22 THR 25 HG22 THR 25 -4.302 -11.908 2.567
162 HG23 THR 25 HG23 THR 25 -2.542 -11.970 2.642
163 H CYS 26 HN CYS 26 -3.445 -7.353 2.362
164 HA CYS 26 HA CYS 26 -2.913 -7.833 -0.400
165 HB2 CYS 26 HB2 CYS 26 -4.074 -5.373 0.913
166 HB3 CYS 26 HB1 CYS 26 -4.107 -5.721 -0.807
167 H SER 27 HN SER 27 -1.512 -5.723 2.046
168 HA SER 27 HA SER 27 -0.109 -4.015 0.286
169 HB2 SER 27 HB2 SER 27 -0.528 -3.414 2.622
170 HB3 SER 27 HB1 SER 27 0.473 -4.758 3.164
171 HG SER 27 HG SER 27 1.986 -3.297 3.131
172 H ARG 28 HN ARG 28 0.658 -7.122 1.736
173 HA ARG 28 HA ARG 28 3.403 -7.047 0.947
174 HB2 ARG 28 HB2 ARG 28 1.647 -9.289 1.948
175 HB3 ARG 28 HB1 ARG 28 3.367 -9.472 1.619
176 HG2 ARG 28 HG2 ARG 28 3.924 -7.869 3.312
177 HG3 ARG 28 HG1 ARG 28 2.226 -7.472 3.559
178 HD2 ARG 28 HD2 ARG 28 1.863 -9.842 4.269
179 HD3 ARG 28 HD1 ARG 28 3.612 -10.069 4.200
180 HE ARG 28 HE ARG 28 2.902 -7.822 5.798
181 HH11 ARG 28 HH11 ARG 28 3.064 -11.321 5.850
182 HH12 ARG 28 HH12 ARG 28 3.256 -11.411 7.572
183 HH21 ARG 28 HH21 ARG 28 3.143 -7.935 8.057
184 HH22 ARG 28 HH22 ARG 28 3.304 -9.483 8.828
185 H VAL 29 HN VAL 29 0.481 -7.837 -0.646
186 HA VAL 29 HA VAL 29 1.874 -9.357 -2.714
187 HB VAL 29 HB VAL 29 -1.072 -8.730 -2.486
188 HG11 VAL 29 HG11 VAL 29 -0.370 -9.145 -4.791
189 HG12 VAL 29 HG12 VAL 29 -1.360 -10.472 -4.182
190 HG13 VAL 29 HG13 VAL 29 0.391 -10.655 -4.291
191 HG21 VAL 29 HG21 VAL 29 0.457 -11.232 -1.798
192 HG22 VAL 29 HG22 VAL 29 -1.301 -11.090 -1.827
193 HG23 VAL 29 HG23 VAL 29 -0.360 -10.154 -0.665
194 H PHE 30 HN PHE 30 0.119 -6.307 -2.284
195 HA PHE 30 HA PHE 30 1.070 -5.478 -4.953
196 HB2 PHE 30 HB2 PHE 30 -1.513 -4.584 -3.645
197 HB3 PHE 30 HB1 PHE 30 -0.949 -4.158 -5.256
198 HD1 PHE 30 HD1 PHE 30 -0.602 -6.187 -6.894
199 HD2 PHE 30 HD2 PHE 30 -3.020 -6.287 -3.388
200 HE1 PHE 30 HE1 PHE 30 -1.866 -8.079 -7.818
201 HE2 PHE 30 HE2 PHE 30 -4.280 -8.187 -4.306
202 HZ PHE 30 HZ PHE 30 -3.704 -9.085 -6.526
203 H HIS 31 HN HIS 31 2.750 -4.974 -2.969
204 HA HIS 31 HA HIS 31 2.261 -2.908 -1.196
205 HB2 HIS 31 HB2 HIS 31 4.235 -4.397 -1.126
206 HB3 HIS 31 HB1 HIS 31 4.903 -3.552 -2.519
207 HD1 HIS 31 HD1 HIS 31 3.729 -2.593 1.004
208 HD2 HIS 31 HD2 HIS 31 6.633 -1.630 -1.810
209 HE1 HIS 31 HE1 HIS 31 5.251 -0.888 2.100
210 H GLU 32 HN GLU 32 3.570 -2.676 -4.485
211 HA GLU 32 HA GLU 32 4.198 0.090 -4.300
212 HB2 GLU 32 HB2 GLU 32 3.736 -1.630 -6.742
213 HB3 GLU 32 HB1 GLU 32 4.459 -0.029 -6.752
214 HG2 GLU 32 HG2 GLU 32 6.337 -0.833 -5.459
215 HG3 GLU 32 HG1 GLU 32 5.603 -2.431 -5.343
216 H ASP 33 HN ASP 33 1.419 -1.701 -5.463
217 HA ASP 33 HA ASP 33 0.090 0.631 -6.500
218 HB2 ASP 33 HB2 ASP 33 -0.757 -2.236 -6.135
219 HB3 ASP 33 HB1 ASP 33 -1.883 -1.000 -6.683
220 H CYS 34 HN CYS 34 0.214 -1.040 -3.482
221 HA CYS 34 HA CYS 34 -2.263 -0.013 -2.470
222 HB2 CYS 34 HB2 CYS 34 0.031 -1.559 -1.318
223 HB3 CYS 34 HB1 CYS 34 -1.150 -0.816 -0.236
224 H HIS 35 HN HIS 35 0.636 1.462 -3.060
225 HA HIS 35 HA HIS 35 0.288 3.454 -0.947
226 HB2 HIS 35 HB2 HIS 35 2.379 3.048 -3.078
227 HB3 HIS 35 HB1 HIS 35 2.293 4.525 -2.116
228 HD1 HIS 35 HD1 HIS 35 2.994 4.334 0.397
229 HD2 HIS 35 HD2 HIS 35 3.223 0.781 -1.737
230 HE1 HIS 35 HE1 HIS 35 4.281 2.713 1.853
231 H ILE 36 HN ILE 36 -1.004 2.763 -3.868
232 HA ILE 36 HA ILE 36 -1.388 5.582 -4.617
233 HB ILE 36 HB ILE 36 -1.378 3.170 -6.445
234 HG12 ILE 36 HG12 ILE 36 0.690 5.360 -6.132
235 HG13 ILE 36 HG11 ILE 36 0.865 3.705 -5.562
236 HG21 ILE 36 HG21 ILE 36 -1.511 6.110 -7.112
237 HG22 ILE 36 HG22 ILE 36 -2.848 4.966 -7.220
238 HG23 ILE 36 HG23 ILE 36 -1.444 4.784 -8.270
239 HD11 ILE 36 HD11 ILE 36 2.075 4.046 -7.629
240 HD12 ILE 36 HD12 ILE 36 0.594 4.565 -8.433
241 HD13 ILE 36 HD13 ILE 36 0.756 2.903 -7.867
242 HA PRO 37 HA PRO 37 -2.592 6.804 -5.579
243 HB2 PRO 37 HB2 PRO 37 -4.978 8.270 -4.974
244 HB3 PRO 37 HB1 PRO 37 -4.355 7.836 -6.571
245 HG2 PRO 37 HG2 PRO 37 -6.690 6.845 -5.473
246 HG3 PRO 37 HG1 PRO 37 -5.758 6.043 -6.753
247 HD2 PRO 37 HD2 PRO 37 -5.771 5.512 -3.796
248 HD3 PRO 37 HD1 PRO 37 -5.735 4.354 -5.151
249 HA PRO 38 HA PRO 38 -1.440 8.132 -1.464
250 HB2 PRO 38 HB2 PRO 38 -0.268 10.499 -2.263
251 HB3 PRO 38 HB1 PRO 38 0.543 8.931 -2.261
252 HG2 PRO 38 HG2 PRO 38 -0.739 10.405 -4.524
253 HG3 PRO 38 HG1 PRO 38 0.757 9.449 -4.513
254 HD2 PRO 38 HD2 PRO 38 -1.547 8.479 -5.532
255 HD3 PRO 38 HD1 PRO 38 -0.387 7.431 -4.682
256 H VAL 39 HN VAL 39 -2.166 9.648 0.060
257 HA VAL 39 HA VAL 39 -4.760 10.604 -0.443
258 HB VAL 39 HB VAL 39 -4.089 9.925 1.790
259 HG11 VAL 39 HG11 VAL 39 -2.335 12.368 1.757
260 HG12 VAL 39 HG12 VAL 39 -1.830 10.688 1.919
261 HG13 VAL 39 HG13 VAL 39 -2.747 11.457 3.209
262 HG21 VAL 39 HG21 VAL 39 -4.924 12.818 1.683
263 HG22 VAL 39 HG22 VAL 39 -5.154 11.722 3.046
264 HG23 VAL 39 HG23 VAL 39 -5.994 11.425 1.523
265 H GLU 40 HN GLU 40 -5.379 12.307 -1.505
266 HA GLU 40 HA GLU 40 -3.750 14.747 -1.381
267 HB2 GLU 40 HB2 GLU 40 -3.502 13.605 -3.575
268 HB3 GLU 40 HB1 GLU 40 -5.240 13.722 -3.809
269 HG2 GLU 40 HG2 GLU 40 -5.090 16.150 -3.795
270 HG3 GLU 40 HG1 GLU 40 -3.349 16.048 -3.534
271 H ALA 41 HN ALA 41 -6.925 13.279 -1.658
272 HA ALA 41 HA ALA 41 -8.097 15.835 -0.789
273 HB1 ALA 41 HB1 ALA 41 -10.135 15.263 -2.020
274 HB2 ALA 41 HB2 ALA 41 -9.360 13.796 -2.618
275 HB3 ALA 41 HB3 ALA 41 -8.739 15.376 -3.091
276 H GLU 42 HN GLU 42 -8.534 12.313 -0.798
277 HA GLU 42 HA GLU 42 -9.128 12.213 1.968
278 HB2 GLU 42 HB2 GLU 42 -11.469 11.306 1.673
279 HB3 GLU 42 HB1 GLU 42 -11.282 13.037 1.427
280 HG2 GLU 42 HG2 GLU 42 -11.218 12.646 -1.006
281 HG3 GLU 42 HG1 GLU 42 -11.522 10.935 -0.711
282 H ARG 43 HN ARG 43 -8.098 10.416 2.490
283 HA ARG 43 HA ARG 43 -8.674 7.956 1.042
284 HB2 ARG 43 HB2 ARG 43 -5.933 9.150 1.381
285 HB3 ARG 43 HB1 ARG 43 -6.149 7.415 1.196
286 HG2 ARG 43 HG2 ARG 43 -7.152 9.456 -0.772
287 HG3 ARG 43 HG1 ARG 43 -5.598 8.629 -0.908
288 HD2 ARG 43 HD2 ARG 43 -6.654 6.512 -1.152
289 HD3 ARG 43 HD1 ARG 43 -8.219 7.167 -0.683
290 HE ARG 43 HE ARG 43 -7.177 8.415 -3.034
291 HH11 ARG 43 HH11 ARG 43 -8.848 5.577 -1.846
292 HH12 ARG 43 HH12 ARG 43 -9.678 5.269 -3.345
293 HH21 ARG 43 HH21 ARG 43 -8.286 8.025 -5.012
294 HH22 ARG 43 HH22 ARG 43 -9.341 6.656 -5.142
295 H THR 44 HN THR 44 -8.478 6.102 2.301
296 HA THR 44 HA THR 44 -8.269 6.664 5.176
297 HB THR 44 HB THR 44 -9.666 4.590 5.434
298 HG1 THR 44 HG1 THR 44 -9.171 3.732 3.318
299 HG21 THR 44 HG21 THR 44 -11.770 5.664 4.733
300 HG22 THR 44 HG22 THR 44 -10.850 6.828 3.780
301 HG23 THR 44 HG23 THR 44 -10.692 6.805 5.535
302 HA PRO 45 HA PRO 45 -4.660 3.910 4.689
303 HB2 PRO 45 HB2 PRO 45 -3.859 4.977 7.285
304 HB3 PRO 45 HB1 PRO 45 -3.028 5.087 5.730
305 HG2 PRO 45 HG2 PRO 45 -4.176 7.230 6.939
306 HG3 PRO 45 HG1 PRO 45 -4.043 7.068 5.176
307 HD2 PRO 45 HD2 PRO 45 -6.411 6.582 6.953
308 HD3 PRO 45 HD1 PRO 45 -6.342 7.357 5.351
309 H TRP 46 HN TRP 46 -6.956 4.317 7.255
310 HA TRP 46 HA TRP 46 -6.151 1.822 8.545
311 HB2 TRP 46 HB2 TRP 46 -7.950 2.445 10.217
312 HB3 TRP 46 HB1 TRP 46 -6.602 3.572 10.112
313 HD1 TRP 46 HD1 TRP 46 -10.327 3.269 9.204
314 HE1 TRP 46 HE1 TRP 46 -11.268 5.631 8.821
315 HE3 TRP 46 HE3 TRP 46 -5.967 5.938 9.476
316 HZ2 TRP 46 HZ2 TRP 46 -10.292 8.271 8.653
317 HZ3 TRP 46 HZ3 TRP 46 -6.064 8.382 9.190
318 HH2 TRP 46 HH2 TRP 46 -8.178 9.519 8.785
319 H ASN 47 HN ASN 47 -7.532 2.123 5.867
320 HA ASN 47 HA ASN 47 -9.388 -0.067 6.313
321 HB2 ASN 47 HB2 ASN 47 -10.821 1.973 6.327
322 HB3 ASN 47 HB1 ASN 47 -10.190 2.401 4.742
323 HD21 ASN 47 HD21 ASN 47 -12.146 0.063 6.498
324 HD22 ASN 47 HD22 ASN 47 -12.992 -0.537 5.111
325 H CYS 48 HN CYS 48 -9.317 -1.533 4.618
326 HA CYS 48 HA CYS 48 -7.063 -1.071 2.854
327 HB2 CYS 48 HB2 CYS 48 -7.326 -3.204 4.152
328 HB3 CYS 48 HB1 CYS 48 -8.741 -3.575 3.173
329 H ILE 49 HN ILE 49 -7.279 -0.378 0.833
330 HA ILE 49 HA ILE 49 -9.899 -0.105 -0.307
331 HB ILE 49 HB ILE 49 -8.701 0.907 -2.258
332 HG12 ILE 49 HG12 ILE 49 -6.254 0.714 -0.505
333 HG13 ILE 49 HG11 ILE 49 -6.544 -0.334 -1.890
334 HG21 ILE 49 HG21 ILE 49 -8.032 2.949 -1.023
335 HG22 ILE 49 HG22 ILE 49 -8.175 2.044 0.483
336 HG23 ILE 49 HG23 ILE 49 -9.597 2.310 -0.523
337 HD11 ILE 49 HD11 ILE 49 -6.528 1.613 -3.361
338 HD12 ILE 49 HD12 ILE 49 -5.028 1.494 -2.438
339 HD13 ILE 49 HD13 ILE 49 -6.262 2.664 -1.971
340 H PHE 50 HN PHE 50 -7.269 -2.338 -0.654
341 HA PHE 50 HA PHE 50 -8.181 -3.350 -3.193
342 HB2 PHE 50 HB2 PHE 50 -5.913 -3.989 -1.383
343 HB3 PHE 50 HB1 PHE 50 -6.498 -5.292 -2.420
344 HD1 PHE 50 HD2 PHE 50 -5.270 -1.794 -2.480
345 HD2 PHE 50 HD1 PHE 50 -5.917 -5.378 -4.675
346 HE1 PHE 50 HE2 PHE 50 -4.033 -0.844 -4.377
347 HE2 PHE 50 HE1 PHE 50 -4.678 -4.437 -6.581
348 HZ PHE 50 HZ PHE 50 -3.736 -2.167 -6.438
349 H CYS 51 HN CYS 51 -8.653 -4.148 0.184
350 HA CYS 51 HA CYS 51 -9.761 -6.717 -0.216
351 HB2 CYS 51 HB2 CYS 51 -9.758 -4.726 1.986
352 HB3 CYS 51 HB1 CYS 51 -11.034 -5.936 2.022
353 H ARG 52 HN ARG 52 -11.214 -3.475 -0.173
354 HA ARG 52 HA ARG 52 -13.865 -4.413 -0.590
355 HB2 ARG 52 HB2 ARG 52 -12.890 -1.681 -1.397
356 HB3 ARG 52 HB1 ARG 52 -14.488 -2.150 -0.837
357 HG2 ARG 52 HG2 ARG 52 -13.510 -2.597 1.405
358 HG3 ARG 52 HG1 ARG 52 -11.975 -1.964 0.814
359 HD2 ARG 52 HD2 ARG 52 -14.560 -0.520 1.282
360 HD3 ARG 52 HD1 ARG 52 -12.955 -0.149 1.906
361 HE ARG 52 HE ARG 52 -13.689 0.194 -0.932
362 HH11 ARG 52 HH11 ARG 52 -12.063 1.340 1.967
363 HH12 ARG 52 HH12 ARG 52 -11.594 2.847 1.240
364 HH21 ARG 52 HH21 ARG 52 -13.059 2.163 -1.867
365 HH22 ARG 52 HH22 ARG 52 -12.152 3.311 -0.936
366 H MET 53 HN MET 53 -11.180 -4.250 -2.531
367 HA MET 53 HA MET 53 -10.700 -4.334 -4.759
368 HB2 MET 53 HB2 MET 53 -13.285 -5.888 -4.670
369 HB3 MET 53 HB1 MET 53 -12.224 -5.840 -6.071
370 HG2 MET 53 HG2 MET 53 -10.420 -6.813 -4.721
371 HG3 MET 53 HG1 MET 53 -11.511 -6.886 -3.339
372 HE1 MET 53 HE1 MET 53 -13.606 -8.447 -3.175
373 HE2 MET 53 HE2 MET 53 -14.157 -9.509 -4.470
374 HE3 MET 53 HE3 MET 53 -14.267 -7.760 -4.658
375 H LYS 54 HN LYS 54 -12.132 -1.953 -3.964
376 HA LYS 54 HA LYS 54 -13.745 -1.454 -6.369
377 HB2 LYS 54 HB2 LYS 54 -14.907 -1.175 -4.176
378 HB3 LYS 54 HB1 LYS 54 -13.777 0.113 -3.782
379 HG2 LYS 54 HG2 LYS 54 -15.850 1.057 -4.568
380 HG3 LYS 54 HG1 LYS 54 -14.574 1.376 -5.745
381 HD2 LYS 54 HD2 LYS 54 -15.357 -0.545 -7.077
382 HD3 LYS 54 HD1 LYS 54 -16.665 -0.792 -5.919
383 HE2 LYS 54 HE2 LYS 54 -16.228 1.707 -7.545
384 HE3 LYS 54 HE1 LYS 54 -17.376 0.431 -7.936
385 HZ1 LYS 54 HZ1 LYS 54 -17.424 2.133 -5.507
386 HZ2 LYS 54 HZ2 LYS 54 -18.505 0.876 -5.835
387 HZ3 LYS 54 HZ3 LYS 54 -18.475 2.244 -6.827
388 H GLU 55 HN GLU 55 -10.858 -0.619 -4.730
389 HA GLU 55 HA GLU 55 -10.483 1.698 -6.497
390 HB2 GLU 55 HB2 GLU 55 -8.683 0.918 -4.216
391 HB3 GLU 55 HB1 GLU 55 -8.796 2.471 -5.024
392 HG2 GLU 55 HG2 GLU 55 -10.925 1.268 -3.269
393 HG3 GLU 55 HG1 GLU 55 -9.767 2.498 -2.774
394 H SER 56 HN SER 56 -10.372 -1.177 -7.116
395 HA SER 56 HA SER 56 -7.549 -1.457 -7.889
396 HB2 SER 56 HB2 SER 56 -9.488 -3.729 -7.404
397 HB3 SER 56 HB1 SER 56 -7.737 -3.824 -7.582
398 HG SER 56 HG SER 56 -7.499 -3.289 -5.552
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 7.280 -14.475 -5.578
2 H2 GLY 1 HT2 GLY 1 7.381 -13.927 -7.172
3 H3 GLY 1 HT3 GLY 1 7.644 -15.559 -6.823
4 HA2 GLY 1 HA1 GLY 1 5.455 -15.213 -7.795
5 HA3 GLY 1 HA2 GLY 1 5.365 -15.846 -6.158
6 H ALA 2 HN ALA 2 4.840 -14.393 -4.437
7 HA ALA 2 HA ALA 2 3.881 -11.744 -5.111
8 HB1 ALA 2 HB1 ALA 2 1.605 -12.153 -4.294
9 HB2 ALA 2 HB2 ALA 2 1.980 -13.864 -4.101
10 HB3 ALA 2 HB3 ALA 2 1.966 -13.139 -5.709
11 H MET 3 HN MET 3 5.874 -13.079 -3.343
12 HA MET 3 HA MET 3 4.915 -11.980 -0.791
13 HB2 MET 3 HB2 MET 3 6.289 -14.598 -1.289
14 HB3 MET 3 HB1 MET 3 6.488 -13.774 0.251
15 HG2 MET 3 HG2 MET 3 4.078 -13.813 0.604
16 HG3 MET 3 HG1 MET 3 3.853 -14.600 -0.957
17 HE1 MET 3 HE1 MET 3 3.039 -17.332 1.808
18 HE2 MET 3 HE2 MET 3 2.375 -16.392 0.472
19 HE3 MET 3 HE3 MET 3 2.808 -15.593 1.983
20 H GLY 4 HN GLY 4 6.076 -10.183 -2.076
21 HA2 GLY 4 HA2 GLY 4 8.936 -10.177 -1.961
22 HA3 GLY 4 HA1 GLY 4 7.904 -8.781 -2.239
23 H MET 5 HN MET 5 9.294 -10.860 0.225
24 HA MET 5 HA MET 5 8.470 -9.310 2.448
25 HB2 MET 5 HB2 MET 5 10.269 -10.545 3.673
26 HB3 MET 5 HB1 MET 5 9.126 -11.578 2.828
27 HG2 MET 5 HG2 MET 5 10.742 -11.898 1.026
28 HG3 MET 5 HG1 MET 5 11.883 -10.846 1.859
29 HE1 MET 5 HE1 MET 5 10.473 -14.918 3.510
30 HE2 MET 5 HE2 MET 5 9.839 -14.165 2.048
31 HE3 MET 5 HE3 MET 5 9.489 -13.460 3.625
32 H ARG 6 HN ARG 6 9.160 -7.413 3.126
33 HA ARG 6 HA ARG 6 10.290 -5.455 3.249
34 HB2 ARG 6 HB2 ARG 6 12.612 -7.356 2.991
35 HB3 ARG 6 HB1 ARG 6 12.813 -5.638 3.289
36 HG2 ARG 6 HG2 ARG 6 11.262 -7.495 5.076
37 HG3 ARG 6 HG1 ARG 6 12.953 -7.061 5.318
38 HD2 ARG 6 HD2 ARG 6 11.764 -5.615 6.724
39 HD3 ARG 6 HD1 ARG 6 12.157 -4.639 5.314
40 HE ARG 6 HE ARG 6 9.558 -5.923 5.272
41 HH11 ARG 6 HH11 ARG 6 11.398 -3.030 5.998
42 HH12 ARG 6 HH12 ARG 6 10.006 -1.999 6.018
43 HH21 ARG 6 HH21 ARG 6 7.723 -4.562 5.311
44 HH22 ARG 6 HH22 ARG 6 7.918 -2.868 5.626
45 H ASN 7 HN ASN 7 9.429 -6.406 0.604
46 HA ASN 7 HA ASN 7 11.507 -5.422 -1.174
47 HB2 ASN 7 HB2 ASN 7 10.220 -7.449 -1.810
48 HB3 ASN 7 HB1 ASN 7 8.762 -6.465 -1.884
49 HD21 ASN 7 HD21 ASN 7 11.941 -5.405 -2.918
50 HD22 ASN 7 HD22 ASN 7 11.549 -5.258 -4.597
51 H LEU 8 HN LEU 8 11.382 -3.322 -0.194
52 HA LEU 8 HA LEU 8 9.486 -1.646 -1.644
53 HB2 LEU 8 HB2 LEU 8 9.451 -0.206 0.532
54 HB3 LEU 8 HB1 LEU 8 8.360 -1.564 0.354
55 HG LEU 8 HG LEU 8 10.083 -2.928 1.652
56 HD11 LEU 8 HD11 LEU 8 11.077 -0.178 2.374
57 HD12 LEU 8 HD12 LEU 8 11.960 -1.380 1.434
58 HD13 LEU 8 HD13 LEU 8 11.569 -1.696 3.124
59 HD21 LEU 8 HD21 LEU 8 9.229 -2.120 3.799
60 HD22 LEU 8 HD22 LEU 8 7.956 -2.220 2.583
61 HD23 LEU 8 HD23 LEU 8 8.647 -0.654 3.010
62 H ASP 9 HN ASP 9 12.300 -2.337 -1.916
63 HA ASP 9 HA ASP 9 13.794 -0.004 -1.065
64 HB2 ASP 9 HB2 ASP 9 14.738 -2.373 -1.237
65 HB3 ASP 9 HB1 ASP 9 14.751 -2.128 -2.978
66 H GLU 10 HN GLU 10 12.254 -1.263 -3.899
67 HA GLU 10 HA GLU 10 13.121 1.011 -5.506
68 HB2 GLU 10 HB2 GLU 10 11.983 -0.104 -7.371
69 HB3 GLU 10 HB1 GLU 10 13.137 -1.175 -6.595
70 HG2 GLU 10 HG2 GLU 10 10.183 -1.231 -6.043
71 HG3 GLU 10 HG1 GLU 10 10.973 -2.229 -7.258
72 H CYS 11 HN CYS 11 11.115 0.820 -3.156
73 HA CYS 11 HA CYS 11 8.873 2.197 -4.455
74 HB2 CYS 11 HB2 CYS 11 8.349 0.256 -2.983
75 HB3 CYS 11 HB1 CYS 11 9.081 1.112 -1.635
76 H GLU 12 HN GLU 12 9.772 4.203 -4.734
77 HA GLU 12 HA GLU 12 11.412 5.496 -2.841
78 HB2 GLU 12 HB2 GLU 12 9.853 6.580 -5.180
79 HB3 GLU 12 HB1 GLU 12 10.973 7.538 -4.224
80 HG2 GLU 12 HG2 GLU 12 11.684 5.071 -5.796
81 HG3 GLU 12 HG1 GLU 12 11.988 6.733 -6.290
82 H VAL 13 HN VAL 13 7.971 5.406 -3.326
83 HA VAL 13 HA VAL 13 7.373 7.692 -1.777
84 HB VAL 13 HB VAL 13 5.806 6.820 -3.426
85 HG11 VAL 13 HG11 VAL 13 6.218 4.441 -3.142
86 HG12 VAL 13 HG12 VAL 13 4.503 4.818 -3.017
87 HG13 VAL 13 HG13 VAL 13 5.439 4.491 -1.560
88 HG21 VAL 13 HG21 VAL 13 3.762 6.990 -2.123
89 HG22 VAL 13 HG22 VAL 13 4.952 8.179 -1.586
90 HG23 VAL 13 HG23 VAL 13 4.678 6.715 -0.642
91 H CYS 14 HN CYS 14 8.010 4.349 -0.967
92 HA CYS 14 HA CYS 14 6.980 4.442 1.683
93 HB2 CYS 14 HB2 CYS 14 8.632 2.609 0.117
94 HB3 CYS 14 HB1 CYS 14 9.107 2.686 1.810
95 H ARG 15 HN ARG 15 10.020 5.241 0.203
96 HA ARG 15 HA ARG 15 11.456 5.736 2.606
97 HB2 ARG 15 HB2 ARG 15 11.988 6.788 -0.173
98 HB3 ARG 15 HB1 ARG 15 13.147 6.699 1.148
99 HG2 ARG 15 HG2 ARG 15 13.154 4.324 1.090
100 HG3 ARG 15 HG1 ARG 15 11.793 4.290 -0.031
101 HD2 ARG 15 HD2 ARG 15 13.779 3.847 -1.275
102 HD3 ARG 15 HD1 ARG 15 13.234 5.471 -1.690
103 HE ARG 15 HE ARG 15 15.094 5.599 0.421
104 HH11 ARG 15 HH11 ARG 15 14.898 5.031 -3.031
105 HH12 ARG 15 HH12 ARG 15 16.558 5.475 -3.317
106 HH21 ARG 15 HH21 ARG 15 17.259 6.216 0.032
107 HH22 ARG 15 HH22 ARG 15 17.892 6.143 -1.582
108 H ASP 16 HN ASP 16 9.460 7.618 0.483
109 HA ASP 16 HA ASP 16 9.953 10.162 1.626
110 HB2 ASP 16 HB2 ASP 16 8.963 9.990 -0.570
111 HB3 ASP 16 HB1 ASP 16 7.602 9.074 0.061
112 H GLY 17 HN GLY 17 8.347 7.458 2.835
113 HA2 GLY 17 HA2 GLY 17 7.353 7.270 4.955
114 HA3 GLY 17 HA1 GLY 17 7.181 9.021 5.004
115 H GLY 18 HN GLY 18 6.193 7.259 2.203
116 HA2 GLY 18 HA2 GLY 18 3.599 8.314 2.204
117 HA3 GLY 18 HA1 GLY 18 4.165 6.996 1.200
118 H GLU 19 HN GLU 19 1.606 7.411 2.508
119 HA GLU 19 HA GLU 19 1.548 5.360 4.573
120 HB2 GLU 19 HB2 GLU 19 -0.606 7.213 3.547
121 HB3 GLU 19 HB1 GLU 19 -0.799 6.097 4.893
122 HG2 GLU 19 HG2 GLU 19 1.011 7.302 6.081
123 HG3 GLU 19 HG1 GLU 19 1.070 8.452 4.749
124 H LEU 20 HN LEU 20 0.656 3.418 4.326
125 HA LEU 20 HA LEU 20 -0.024 2.543 1.656
126 HB2 LEU 20 HB2 LEU 20 0.422 1.200 4.292
127 HB3 LEU 20 HB1 LEU 20 -0.407 0.335 3.013
128 HG LEU 20 HG LEU 20 2.308 1.574 2.591
129 HD11 LEU 20 HD11 LEU 20 1.619 -1.157 3.658
130 HD12 LEU 20 HD12 LEU 20 2.620 0.076 4.423
131 HD13 LEU 20 HD13 LEU 20 3.186 -0.739 2.966
132 HD21 LEU 20 HD21 LEU 20 1.111 0.987 0.571
133 HD22 LEU 20 HD22 LEU 20 0.764 -0.619 1.207
134 HD23 LEU 20 HD23 LEU 20 2.421 -0.164 0.831
135 H PHE 21 HN PHE 21 -2.037 2.034 0.924
136 HA PHE 21 HA PHE 21 -4.260 2.629 2.763
137 HB2 PHE 21 HB2 PHE 21 -4.343 2.594 -0.270
138 HB3 PHE 21 HB1 PHE 21 -5.554 3.268 0.827
139 HD1 PHE 21 HD1 PHE 21 -4.627 5.141 2.452
140 HD2 PHE 21 HD2 PHE 21 -2.831 4.039 -1.252
141 HE1 PHE 21 HE1 PHE 21 -3.554 7.349 2.313
142 HE2 PHE 21 HE2 PHE 21 -1.752 6.238 -1.386
143 HZ PHE 21 HZ PHE 21 -1.966 7.828 0.479
144 H CYS 22 HN CYS 22 -2.892 0.171 2.744
145 HA CYS 22 HA CYS 22 -5.064 -1.646 2.017
146 HB2 CYS 22 HB2 CYS 22 -2.162 -1.892 1.253
147 HB3 CYS 22 HB1 CYS 22 -3.189 -3.315 1.397
148 H CYS 23 HN CYS 23 -4.874 -3.729 3.148
149 HA CYS 23 HA CYS 23 -3.918 -3.350 5.862
150 HB2 CYS 23 HB2 CYS 23 -5.180 -5.293 6.417
151 HB3 CYS 23 HB1 CYS 23 -6.162 -4.424 5.238
152 H ASP 24 HN ASP 24 -2.780 -5.394 6.822
153 HA ASP 24 HA ASP 24 -0.209 -5.424 5.847
154 HB2 ASP 24 HB2 ASP 24 -1.698 -7.202 7.708
155 HB3 ASP 24 HB1 ASP 24 -0.139 -7.760 7.114
156 H THR 25 HN THR 25 -2.637 -7.973 5.330
157 HA THR 25 HA THR 25 -1.001 -9.698 3.873
158 HB THR 25 HB THR 25 -3.987 -9.349 3.590
159 HG1 THR 25 HG1 THR 25 -2.856 -11.352 5.183
160 HG21 THR 25 HG21 THR 25 -3.021 -10.736 1.820
161 HG22 THR 25 HG22 THR 25 -3.968 -11.718 2.937
162 HG23 THR 25 HG23 THR 25 -2.207 -11.726 3.030
163 H CYS 26 HN CYS 26 -3.235 -7.188 2.652
164 HA CYS 26 HA CYS 26 -2.664 -7.815 -0.072
165 HB2 CYS 26 HB2 CYS 26 -3.972 -5.347 1.070
166 HB3 CYS 26 HB1 CYS 26 -3.997 -5.829 -0.617
167 H SER 27 HN SER 27 -1.420 -5.439 2.214
168 HA SER 27 HA SER 27 -0.133 -3.752 0.371
169 HB2 SER 27 HB2 SER 27 0.573 -4.352 3.249
170 HB3 SER 27 HB1 SER 27 1.218 -3.010 2.309
171 HG SER 27 HG SER 27 -0.759 -2.733 3.753
172 H ARG 28 HN ARG 28 0.799 -6.812 1.744
173 HA ARG 28 HA ARG 28 3.537 -6.574 0.898
174 HB2 ARG 28 HB2 ARG 28 2.003 -8.964 1.926
175 HB3 ARG 28 HB1 ARG 28 3.753 -8.854 1.765
176 HG2 ARG 28 HG2 ARG 28 3.853 -7.139 3.440
177 HG3 ARG 28 HG1 ARG 28 2.094 -7.059 3.517
178 HD2 ARG 28 HD2 ARG 28 2.140 -9.484 4.228
179 HD3 ARG 28 HD1 ARG 28 3.886 -9.310 4.402
180 HE ARG 28 HE ARG 28 2.230 -7.387 5.828
181 HH11 ARG 28 HH11 ARG 28 4.167 -10.293 5.945
182 HH12 ARG 28 HH12 ARG 28 4.287 -10.303 7.671
183 HH21 ARG 28 HH21 ARG 28 2.365 -7.391 8.113
184 HH22 ARG 28 HH22 ARG 28 3.276 -8.642 8.906
185 H VAL 29 HN VAL 29 0.577 -7.694 -0.449
186 HA VAL 29 HA VAL 29 1.902 -9.317 -2.467
187 HB VAL 29 HB VAL 29 -1.040 -8.796 -2.014
188 HG11 VAL 29 HG11 VAL 29 -0.599 -9.329 -4.345
189 HG12 VAL 29 HG12 VAL 29 -1.405 -10.678 -3.544
190 HG13 VAL 29 HG13 VAL 29 0.327 -10.746 -3.857
191 HG21 VAL 29 HG21 VAL 29 0.690 -11.166 -1.336
192 HG22 VAL 29 HG22 VAL 29 -1.069 -11.125 -1.204
193 HG23 VAL 29 HG23 VAL 29 -0.084 -10.064 -0.198
194 H PHE 30 HN PHE 30 -0.083 -6.372 -2.260
195 HA PHE 30 HA PHE 30 0.704 -5.754 -5.043
196 HB2 PHE 30 HB2 PHE 30 -1.785 -4.767 -3.618
197 HB3 PHE 30 HB1 PHE 30 -1.366 -4.507 -5.308
198 HD1 PHE 30 HD1 PHE 30 -1.194 -6.631 -6.796
199 HD2 PHE 30 HD2 PHE 30 -3.130 -6.519 -3.006
200 HE1 PHE 30 HE1 PHE 30 -2.478 -8.640 -7.393
201 HE2 PHE 30 HE2 PHE 30 -4.410 -8.530 -3.592
202 HZ PHE 30 HZ PHE 30 -4.088 -9.593 -5.789
203 H HIS 31 HN HIS 31 2.514 -5.078 -3.273
204 HA HIS 31 HA HIS 31 2.175 -2.944 -1.560
205 HB2 HIS 31 HB2 HIS 31 4.149 -4.446 -1.679
206 HB3 HIS 31 HB1 HIS 31 4.668 -3.600 -3.131
207 HD1 HIS 31 HD1 HIS 31 3.927 -2.734 0.518
208 HD2 HIS 31 HD2 HIS 31 6.388 -1.606 -2.632
209 HE1 HIS 31 HE1 HIS 31 5.575 -1.059 1.468
210 H GLU 32 HN GLU 32 3.149 -2.823 -4.977
211 HA GLU 32 HA GLU 32 3.737 -0.033 -4.900
212 HB2 GLU 32 HB2 GLU 32 3.291 -1.901 -7.226
213 HB3 GLU 32 HB1 GLU 32 3.820 -0.235 -7.389
214 HG2 GLU 32 HG2 GLU 32 5.836 -0.749 -6.108
215 HG3 GLU 32 HG1 GLU 32 5.306 -2.424 -5.954
216 H ASP 33 HN ASP 33 0.963 -1.954 -5.849
217 HA ASP 33 HA ASP 33 -0.513 0.261 -6.909
218 HB2 ASP 33 HB2 ASP 33 -1.300 -2.547 -6.144
219 HB3 ASP 33 HB1 ASP 33 -2.468 -1.373 -6.739
220 H CYS 34 HN CYS 34 -0.004 -1.103 -3.794
221 HA CYS 34 HA CYS 34 -2.367 0.044 -2.613
222 HB2 CYS 34 HB2 CYS 34 -0.004 -1.485 -1.561
223 HB3 CYS 34 HB1 CYS 34 -1.146 -0.711 -0.458
224 H HIS 35 HN HIS 35 0.546 1.332 -3.556
225 HA HIS 35 HA HIS 35 0.383 3.513 -1.595
226 HB2 HIS 35 HB2 HIS 35 2.431 2.815 -3.699
227 HB3 HIS 35 HB1 HIS 35 2.449 4.348 -2.831
228 HD1 HIS 35 HD1 HIS 35 3.030 4.233 -0.248
229 HD2 HIS 35 HD2 HIS 35 3.305 0.624 -2.298
230 HE1 HIS 35 HE1 HIS 35 4.324 2.652 1.251
231 H ILE 36 HN ILE 36 -1.256 2.698 -4.156
232 HA ILE 36 HA ILE 36 -1.419 5.415 -5.271
233 HB ILE 36 HB ILE 36 -1.787 2.806 -6.760
234 HG12 ILE 36 HG12 ILE 36 0.415 4.874 -6.956
235 HG13 ILE 36 HG11 ILE 36 0.568 3.279 -6.230
236 HG21 ILE 36 HG21 ILE 36 -3.251 4.580 -7.592
237 HG22 ILE 36 HG22 ILE 36 -2.000 4.170 -8.764
238 HG23 ILE 36 HG23 ILE 36 -1.854 5.637 -7.796
239 HD11 ILE 36 HD11 ILE 36 0.153 2.249 -8.402
240 HD12 ILE 36 HD12 ILE 36 1.536 3.340 -8.456
241 HD13 ILE 36 HD13 ILE 36 -0.013 3.846 -9.127
242 HA PRO 37 HA PRO 37 -2.630 6.689 -6.198
243 HB2 PRO 37 HB2 PRO 37 -4.754 8.427 -5.340
244 HB3 PRO 37 HB1 PRO 37 -4.400 7.880 -6.986
245 HG2 PRO 37 HG2 PRO 37 -6.648 7.166 -5.549
246 HG3 PRO 37 HG1 PRO 37 -5.975 6.229 -6.896
247 HD2 PRO 37 HD2 PRO 37 -5.667 5.803 -3.943
248 HD3 PRO 37 HD1 PRO 37 -5.895 4.604 -5.240
249 HA PRO 38 HA PRO 38 -0.802 8.188 -2.413
250 HB2 PRO 38 HB2 PRO 38 0.351 10.449 -3.490
251 HB3 PRO 38 HB1 PRO 38 1.073 8.838 -3.540
252 HG2 PRO 38 HG2 PRO 38 -0.456 10.305 -5.647
253 HG3 PRO 38 HG1 PRO 38 0.961 9.250 -5.820
254 HD2 PRO 38 HD2 PRO 38 -1.543 8.409 -6.420
255 HD3 PRO 38 HD1 PRO 38 -0.317 7.312 -5.746
256 H VAL 39 HN VAL 39 -1.409 9.598 -0.845
257 HA VAL 39 HA VAL 39 -3.950 10.658 -0.970
258 HB VAL 39 HB VAL 39 -2.906 10.068 1.132
259 HG11 VAL 39 HG11 VAL 39 -1.305 11.566 2.234
260 HG12 VAL 39 HG12 VAL 39 -1.204 12.521 0.755
261 HG13 VAL 39 HG13 VAL 39 -0.650 10.847 0.764
262 HG21 VAL 39 HG21 VAL 39 -3.704 11.946 2.482
263 HG22 VAL 39 HG22 VAL 39 -4.820 11.558 1.173
264 HG23 VAL 39 HG23 VAL 39 -3.754 12.955 1.037
265 H GLU 40 HN GLU 40 -4.764 12.306 -1.983
266 HA GLU 40 HA GLU 40 -3.342 14.851 -2.042
267 HB2 GLU 40 HB2 GLU 40 -2.850 13.543 -4.165
268 HB3 GLU 40 HB1 GLU 40 -4.558 13.695 -4.553
269 HG2 GLU 40 HG2 GLU 40 -3.321 15.388 -5.713
270 HG3 GLU 40 HG1 GLU 40 -4.327 16.144 -4.475
271 H ALA 41 HN ALA 41 -6.293 13.064 -2.859
272 HA ALA 41 HA ALA 41 -7.878 15.465 -2.301
273 HB1 ALA 41 HB1 ALA 41 -8.716 12.846 -3.543
274 HB2 ALA 41 HB2 ALA 41 -8.362 14.338 -4.414
275 HB3 ALA 41 HB3 ALA 41 -9.747 14.260 -3.324
276 H GLU 42 HN GLU 42 -8.410 11.993 -1.764
277 HA GLU 42 HA GLU 42 -8.532 12.361 1.087
278 HB2 GLU 42 HB2 GLU 42 -10.828 11.374 1.255
279 HB3 GLU 42 HB1 GLU 42 -10.778 13.006 0.604
280 HG2 GLU 42 HG2 GLU 42 -11.117 12.203 -1.616
281 HG3 GLU 42 HG1 GLU 42 -10.947 10.529 -1.087
282 H ARG 43 HN ARG 43 -7.739 10.603 2.045
283 HA ARG 43 HA ARG 43 -8.017 7.985 0.767
284 HB2 ARG 43 HB2 ARG 43 -5.404 9.284 1.537
285 HB3 ARG 43 HB1 ARG 43 -5.571 7.555 1.295
286 HG2 ARG 43 HG2 ARG 43 -6.244 9.566 -0.829
287 HG3 ARG 43 HG1 ARG 43 -4.631 8.884 -0.628
288 HD2 ARG 43 HD2 ARG 43 -5.640 7.554 -2.276
289 HD3 ARG 43 HD1 ARG 43 -5.758 6.601 -0.799
290 HE ARG 43 HE ARG 43 -8.084 8.211 -1.265
291 HH11 ARG 43 HH11 ARG 43 -6.503 5.189 -2.063
292 HH12 ARG 43 HH12 ARG 43 -7.965 4.403 -2.564
293 HH21 ARG 43 HH21 ARG 43 -10.014 7.175 -1.918
294 HH22 ARG 43 HH22 ARG 43 -9.969 5.528 -2.458
295 H THR 44 HN THR 44 -8.156 6.318 2.219
296 HA THR 44 HA THR 44 -7.881 7.035 5.061
297 HB THR 44 HB THR 44 -9.418 5.096 5.487
298 HG1 THR 44 HG1 THR 44 -9.019 4.099 3.389
299 HG21 THR 44 HG21 THR 44 -11.464 6.264 4.768
300 HG22 THR 44 HG22 THR 44 -10.495 7.292 3.713
301 HG23 THR 44 HG23 THR 44 -10.286 7.378 5.462
302 HA PRO 45 HA PRO 45 -4.393 4.180 4.395
303 HB2 PRO 45 HB2 PRO 45 -3.465 5.186 6.984
304 HB3 PRO 45 HB1 PRO 45 -2.682 5.272 5.404
305 HG2 PRO 45 HG2 PRO 45 -3.715 7.451 6.634
306 HG3 PRO 45 HG1 PRO 45 -3.682 7.275 4.869
307 HD2 PRO 45 HD2 PRO 45 -5.962 6.872 6.777
308 HD3 PRO 45 HD1 PRO 45 -5.958 7.623 5.164
309 H TRP 46 HN TRP 46 -6.544 4.471 7.111
310 HA TRP 46 HA TRP 46 -5.633 1.932 8.238
311 HB2 TRP 46 HB2 TRP 46 -7.277 2.435 10.059
312 HB3 TRP 46 HB1 TRP 46 -6.049 3.682 9.862
313 HD1 TRP 46 HD1 TRP 46 -9.790 3.051 9.322
314 HE1 TRP 46 HE1 TRP 46 -10.978 5.309 9.034
315 HE3 TRP 46 HE3 TRP 46 -5.692 6.113 9.145
316 HZ2 TRP 46 HZ2 TRP 46 -10.278 8.024 8.774
317 HZ3 TRP 46 HZ3 TRP 46 -6.047 8.534 8.875
318 HH2 TRP 46 HH2 TRP 46 -8.287 9.465 8.691
319 H ASN 47 HN ASN 47 -7.081 2.243 5.641
320 HA ASN 47 HA ASN 47 -9.164 0.254 6.135
321 HB2 ASN 47 HB2 ASN 47 -10.204 2.572 6.037
322 HB3 ASN 47 HB1 ASN 47 -9.634 2.676 4.376
323 HD21 ASN 47 HD21 ASN 47 -10.946 -0.185 5.983
324 HD22 ASN 47 HD22 ASN 47 -12.360 -0.306 4.992
325 H CYS 48 HN CYS 48 -9.202 -1.300 4.505
326 HA CYS 48 HA CYS 48 -6.982 -1.044 2.634
327 HB2 CYS 48 HB2 CYS 48 -7.214 -3.070 4.121
328 HB3 CYS 48 HB1 CYS 48 -8.657 -3.503 3.208
329 H ILE 49 HN ILE 49 -7.299 -0.514 0.582
330 HA ILE 49 HA ILE 49 -9.970 -0.479 -0.509
331 HB ILE 49 HB ILE 49 -8.858 0.435 -2.575
332 HG12 ILE 49 HG12 ILE 49 -6.407 0.576 -0.816
333 HG13 ILE 49 HG11 ILE 49 -6.614 -0.581 -2.127
334 HG21 ILE 49 HG21 ILE 49 -9.864 1.910 -0.942
335 HG22 ILE 49 HG22 ILE 49 -8.384 2.633 -1.569
336 HG23 ILE 49 HG23 ILE 49 -8.392 1.886 0.027
337 HD11 ILE 49 HD11 ILE 49 -6.739 1.257 -3.724
338 HD12 ILE 49 HD12 ILE 49 -5.237 1.313 -2.799
339 HD13 ILE 49 HD13 ILE 49 -6.557 2.417 -2.410
340 H PHE 50 HN PHE 50 -7.212 -2.556 -0.673
341 HA PHE 50 HA PHE 50 -7.987 -3.714 -3.196
342 HB2 PHE 50 HB2 PHE 50 -5.618 -3.908 -1.494
343 HB3 PHE 50 HB1 PHE 50 -6.095 -5.441 -2.233
344 HD1 PHE 50 HD1 PHE 50 -6.084 -5.733 -4.623
345 HD2 PHE 50 HD2 PHE 50 -4.930 -2.025 -2.882
346 HE1 PHE 50 HE1 PHE 50 -5.150 -5.013 -6.779
347 HE2 PHE 50 HE2 PHE 50 -3.995 -1.302 -5.031
348 HZ PHE 50 HZ PHE 50 -4.104 -2.795 -6.986
349 H CYS 51 HN CYS 51 -8.496 -4.429 0.166
350 HA CYS 51 HA CYS 51 -9.142 -7.146 -0.029
351 HB2 CYS 51 HB2 CYS 51 -9.691 -4.976 1.887
352 HB3 CYS 51 HB1 CYS 51 -10.843 -6.306 1.917
353 H ARG 52 HN ARG 52 -10.965 -4.333 -0.989
354 HA ARG 52 HA ARG 52 -13.390 -5.910 -1.313
355 HB2 ARG 52 HB2 ARG 52 -14.499 -3.853 -1.874
356 HB3 ARG 52 HB1 ARG 52 -13.513 -3.580 -0.445
357 HG2 ARG 52 HG2 ARG 52 -11.752 -2.645 -1.994
358 HG3 ARG 52 HG1 ARG 52 -12.982 -2.680 -3.258
359 HD2 ARG 52 HD2 ARG 52 -12.881 -0.478 -2.246
360 HD3 ARG 52 HD1 ARG 52 -14.422 -1.249 -1.868
361 HE ARG 52 HE ARG 52 -13.271 -1.860 0.323
362 HH11 ARG 52 HH11 ARG 52 -12.584 1.063 -1.477
363 HH12 ARG 52 HH12 ARG 52 -12.090 1.954 -0.073
364 HH21 ARG 52 HH21 ARG 52 -12.634 -0.678 2.163
365 HH22 ARG 52 HH22 ARG 52 -12.107 0.966 1.992
366 H MET 53 HN MET 53 -10.648 -5.667 -2.960
367 HA MET 53 HA MET 53 -11.915 -5.725 -5.618
368 HB2 MET 53 HB2 MET 53 -9.021 -5.227 -4.878
369 HB3 MET 53 HB1 MET 53 -9.666 -5.248 -6.510
370 HG2 MET 53 HG2 MET 53 -11.030 -3.304 -6.022
371 HG3 MET 53 HG1 MET 53 -10.447 -3.294 -4.358
372 HE1 MET 53 HE1 MET 53 -9.683 -0.779 -4.511
373 HE2 MET 53 HE2 MET 53 -10.327 -0.711 -6.153
374 HE3 MET 53 HE3 MET 53 -8.694 -0.133 -5.820
375 H LYS 54 HN LYS 54 -11.884 -7.885 -3.707
376 HA LYS 54 HA LYS 54 -9.845 -9.750 -4.185
377 HB2 LYS 54 HB2 LYS 54 -11.396 -9.873 -2.257
378 HB3 LYS 54 HB1 LYS 54 -12.715 -10.245 -3.357
379 HG2 LYS 54 HG2 LYS 54 -11.583 -12.321 -4.007
380 HG3 LYS 54 HG1 LYS 54 -10.288 -11.962 -2.865
381 HD2 LYS 54 HD2 LYS 54 -11.929 -11.975 -1.031
382 HD3 LYS 54 HD1 LYS 54 -13.195 -12.392 -2.185
383 HE2 LYS 54 HE2 LYS 54 -10.752 -14.050 -1.565
384 HE3 LYS 54 HE1 LYS 54 -12.384 -14.360 -0.979
385 HZ1 LYS 54 HZ1 LYS 54 -11.992 -15.758 -2.840
386 HZ2 LYS 54 HZ2 LYS 54 -11.433 -14.478 -3.790
387 HZ3 LYS 54 HZ3 LYS 54 -13.066 -14.558 -3.353
388 H GLU 55 HN GLU 55 -9.447 -11.045 -5.850
389 HA GLU 55 HA GLU 55 -11.607 -11.734 -7.701
390 HB2 GLU 55 HB2 GLU 55 -10.474 -9.797 -8.673
391 HB3 GLU 55 HB1 GLU 55 -8.925 -10.614 -8.531
392 HG2 GLU 55 HG2 GLU 55 -9.649 -12.298 -10.124
393 HG3 GLU 55 HG1 GLU 55 -11.230 -11.527 -10.235
394 H SER 56 HN SER 56 -11.665 -13.857 -7.295
395 HA SER 56 HA SER 56 -9.133 -15.347 -7.427
396 HB2 SER 56 HB2 SER 56 -11.590 -16.115 -5.830
397 HB3 SER 56 HB1 SER 56 -10.014 -16.906 -5.803
398 HG SER 56 HG SER 56 -9.133 -15.045 -4.879
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 11.046 -10.553 -1.301
2 H2 GLY 1 HT2 GLY 1 10.254 -9.352 -0.414
3 H3 GLY 1 HT3 GLY 1 10.629 -10.829 0.312
4 HA2 GLY 1 HA1 GLY 1 12.614 -8.858 -0.664
5 HA3 GLY 1 HA2 GLY 1 12.146 -9.070 1.019
6 H ALA 2 HN ALA 2 14.782 -9.325 0.221
7 HA ALA 2 HA ALA 2 15.547 -11.993 -0.330
8 HB1 ALA 2 HB1 ALA 2 17.052 -10.124 -0.737
9 HB2 ALA 2 HB2 ALA 2 17.789 -11.277 0.376
10 HB3 ALA 2 HB3 ALA 2 17.106 -9.773 0.990
11 H MET 3 HN MET 3 15.016 -10.183 2.623
12 HA MET 3 HA MET 3 14.650 -12.625 4.103
13 HB2 MET 3 HB2 MET 3 17.128 -12.228 4.185
14 HB3 MET 3 HB1 MET 3 16.806 -10.705 5.002
15 HG2 MET 3 HG2 MET 3 17.414 -12.443 6.586
16 HG3 MET 3 HG1 MET 3 15.757 -11.900 6.849
17 HE1 MET 3 HE1 MET 3 15.253 -14.026 8.331
18 HE2 MET 3 HE2 MET 3 16.912 -14.582 8.101
19 HE3 MET 3 HE3 MET 3 15.564 -15.682 7.812
20 H GLY 4 HN GLY 4 12.540 -11.680 4.188
21 HA2 GLY 4 HA2 GLY 4 11.682 -10.561 6.453
22 HA3 GLY 4 HA1 GLY 4 12.224 -9.144 5.565
23 H MET 5 HN MET 5 9.686 -9.046 6.174
24 HA MET 5 HA MET 5 8.280 -9.828 3.708
25 HB2 MET 5 HB2 MET 5 7.214 -9.803 6.538
26 HB3 MET 5 HB1 MET 5 6.199 -9.982 5.112
27 HG2 MET 5 HG2 MET 5 7.364 -12.043 4.528
28 HG3 MET 5 HG1 MET 5 8.410 -11.860 5.933
29 HE1 MET 5 HE1 MET 5 6.447 -10.852 8.191
30 HE2 MET 5 HE2 MET 5 7.625 -12.143 8.422
31 HE3 MET 5 HE3 MET 5 5.947 -12.383 8.906
32 H ARG 6 HN ARG 6 9.675 -7.411 4.162
33 HA ARG 6 HA ARG 6 7.462 -5.518 3.866
34 HB2 ARG 6 HB2 ARG 6 8.355 -5.465 6.240
35 HB3 ARG 6 HB1 ARG 6 9.881 -4.913 5.568
36 HG2 ARG 6 HG2 ARG 6 8.664 -3.029 6.400
37 HG3 ARG 6 HG1 ARG 6 8.718 -2.941 4.640
38 HD2 ARG 6 HD2 ARG 6 6.451 -3.743 4.479
39 HD3 ARG 6 HD1 ARG 6 6.389 -4.031 6.217
40 HE ARG 6 HE ARG 6 6.991 -1.307 5.606
41 HH11 ARG 6 HH11 ARG 6 4.357 -3.608 5.846
42 HH12 ARG 6 HH12 ARG 6 3.177 -2.400 6.223
43 HH21 ARG 6 HH21 ARG 6 5.430 0.280 6.077
44 HH22 ARG 6 HH22 ARG 6 3.777 -0.182 6.334
45 H ASN 7 HN ASN 7 8.386 -6.241 1.668
46 HA ASN 7 HA ASN 7 10.904 -5.101 0.883
47 HB2 ASN 7 HB2 ASN 7 10.057 -7.135 -0.201
48 HB3 ASN 7 HB1 ASN 7 8.669 -6.241 -0.810
49 HD21 ASN 7 HD21 ASN 7 11.973 -4.999 -0.710
50 HD22 ASN 7 HD22 ASN 7 12.188 -4.966 -2.427
51 H LEU 8 HN LEU 8 10.748 -2.943 1.349
52 HA LEU 8 HA LEU 8 8.984 -1.399 -0.426
53 HB2 LEU 8 HB2 LEU 8 9.360 0.467 1.278
54 HB3 LEU 8 HB1 LEU 8 8.280 -0.837 1.726
55 HG LEU 8 HG LEU 8 10.247 -1.859 2.978
56 HD11 LEU 8 HD11 LEU 8 12.034 -0.573 1.918
57 HD12 LEU 8 HD12 LEU 8 12.025 -0.352 3.667
58 HD13 LEU 8 HD13 LEU 8 11.381 0.908 2.616
59 HD21 LEU 8 HD21 LEU 8 9.190 0.810 3.890
60 HD22 LEU 8 HD22 LEU 8 9.895 -0.436 4.921
61 HD23 LEU 8 HD23 LEU 8 8.377 -0.744 4.074
62 H ASP 9 HN ASP 9 11.771 -2.559 -0.606
63 HA ASP 9 HA ASP 9 13.655 -0.448 -0.485
64 HB2 ASP 9 HB2 ASP 9 13.879 -3.020 -2.056
65 HB3 ASP 9 HB1 ASP 9 15.198 -2.029 -1.442
66 H GLU 10 HN GLU 10 11.681 -1.812 -3.014
67 HA GLU 10 HA GLU 10 12.809 0.009 -4.999
68 HB2 GLU 10 HB2 GLU 10 10.719 -2.154 -5.269
69 HB3 GLU 10 HB1 GLU 10 11.374 -1.208 -6.599
70 HG2 GLU 10 HG2 GLU 10 13.563 -2.133 -6.246
71 HG3 GLU 10 HG1 GLU 10 13.008 -2.984 -4.806
72 H CYS 11 HN CYS 11 10.773 0.420 -2.633
73 HA CYS 11 HA CYS 11 8.705 1.854 -4.142
74 HB2 CYS 11 HB2 CYS 11 8.011 0.104 -2.514
75 HB3 CYS 11 HB1 CYS 11 8.777 1.030 -1.236
76 H GLU 12 HN GLU 12 9.814 3.749 -4.583
77 HA GLU 12 HA GLU 12 11.402 5.151 -2.718
78 HB2 GLU 12 HB2 GLU 12 10.071 6.000 -5.280
79 HB3 GLU 12 HB1 GLU 12 11.078 7.082 -4.330
80 HG2 GLU 12 HG2 GLU 12 11.997 4.460 -5.484
81 HG3 GLU 12 HG1 GLU 12 12.275 6.039 -6.210
82 H VAL 13 HN VAL 13 7.991 5.065 -3.277
83 HA VAL 13 HA VAL 13 7.432 7.530 -1.985
84 HB VAL 13 HB VAL 13 5.801 6.687 -3.510
85 HG11 VAL 13 HG11 VAL 13 4.546 4.662 -3.174
86 HG12 VAL 13 HG12 VAL 13 5.452 4.313 -1.704
87 HG13 VAL 13 HG13 VAL 13 6.266 4.303 -3.269
88 HG21 VAL 13 HG21 VAL 13 4.981 7.971 -1.575
89 HG22 VAL 13 HG22 VAL 13 4.675 6.451 -0.731
90 HG23 VAL 13 HG23 VAL 13 3.782 6.837 -2.202
91 H CYS 14 HN CYS 14 7.816 4.208 -0.864
92 HA CYS 14 HA CYS 14 7.059 4.717 1.829
93 HB2 CYS 14 HB2 CYS 14 8.466 2.568 0.392
94 HB3 CYS 14 HB1 CYS 14 8.903 2.745 2.087
95 H ARG 15 HN ARG 15 9.943 5.206 -0.010
96 HA ARG 15 HA ARG 15 11.753 5.711 2.092
97 HB2 ARG 15 HB2 ARG 15 12.363 5.297 -0.278
98 HB3 ARG 15 HB1 ARG 15 11.698 6.865 -0.699
99 HG2 ARG 15 HG2 ARG 15 13.399 7.939 0.708
100 HG3 ARG 15 HG1 ARG 15 14.083 6.350 1.065
101 HD2 ARG 15 HD2 ARG 15 14.428 5.993 -1.351
102 HD3 ARG 15 HD1 ARG 15 13.828 7.619 -1.656
103 HE ARG 15 HE ARG 15 15.963 7.759 0.162
104 HH11 ARG 15 HH11 ARG 15 15.318 7.035 -3.207
105 HH12 ARG 15 HH12 ARG 15 16.905 7.506 -3.738
106 HH21 ARG 15 HH21 ARG 15 18.043 8.382 -0.534
107 HH22 ARG 15 HH22 ARG 15 18.461 8.266 -2.213
108 H ASP 16 HN ASP 16 9.529 7.734 0.294
109 HA ASP 16 HA ASP 16 10.082 10.129 1.741
110 HB2 ASP 16 HB2 ASP 16 9.151 10.229 -0.498
111 HB3 ASP 16 HB1 ASP 16 7.733 9.322 0.011
112 H GLY 17 HN GLY 17 8.520 7.321 2.643
113 HA2 GLY 17 HA2 GLY 17 7.486 6.860 4.681
114 HA3 GLY 17 HA1 GLY 17 7.391 8.590 4.992
115 H GLY 18 HN GLY 18 6.263 7.232 2.011
116 HA2 GLY 18 HA2 GLY 18 3.733 8.397 2.146
117 HA3 GLY 18 HA1 GLY 18 4.197 7.109 1.052
118 H GLU 19 HN GLU 19 1.666 7.431 2.184
119 HA GLU 19 HA GLU 19 1.474 5.580 4.418
120 HB2 GLU 19 HB2 GLU 19 -0.571 7.326 3.049
121 HB3 GLU 19 HB1 GLU 19 -0.920 6.297 4.432
122 HG2 GLU 19 HG2 GLU 19 0.741 7.579 5.750
123 HG3 GLU 19 HG1 GLU 19 0.985 8.636 4.361
124 H LEU 20 HN LEU 20 0.075 3.800 4.412
125 HA LEU 20 HA LEU 20 -0.285 2.571 1.772
126 HB2 LEU 20 HB2 LEU 20 0.090 1.481 4.535
127 HB3 LEU 20 HB1 LEU 20 -0.666 0.496 3.300
128 HG LEU 20 HG LEU 20 2.054 1.739 2.921
129 HD11 LEU 20 HD11 LEU 20 1.359 -0.974 4.035
130 HD12 LEU 20 HD12 LEU 20 2.169 0.335 4.895
131 HD13 LEU 20 HD13 LEU 20 2.970 -0.461 3.539
132 HD21 LEU 20 HD21 LEU 20 2.273 -0.084 1.268
133 HD22 LEU 20 HD22 LEU 20 0.946 1.011 0.883
134 HD23 LEU 20 HD23 LEU 20 0.610 -0.564 1.601
135 H PHE 21 HN PHE 21 -2.274 1.980 1.056
136 HA PHE 21 HA PHE 21 -4.547 2.574 2.840
137 HB2 PHE 21 HB2 PHE 21 -4.539 2.531 -0.195
138 HB3 PHE 21 HB1 PHE 21 -5.833 3.119 0.854
139 HD1 PHE 21 HD1 PHE 21 -5.351 5.137 2.331
140 HD2 PHE 21 HD2 PHE 21 -2.823 3.963 -0.894
141 HE1 PHE 21 HE1 PHE 21 -4.418 7.404 2.237
142 HE2 PHE 21 HE2 PHE 21 -1.881 6.226 -0.974
143 HZ PHE 21 HZ PHE 21 -2.525 7.886 0.742
144 H CYS 22 HN CYS 22 -3.106 0.164 2.870
145 HA CYS 22 HA CYS 22 -5.195 -1.722 2.075
146 HB2 CYS 22 HB2 CYS 22 -2.268 -1.858 1.395
147 HB3 CYS 22 HB1 CYS 22 -3.230 -3.327 1.533
148 H CYS 23 HN CYS 23 -4.958 -3.812 3.180
149 HA CYS 23 HA CYS 23 -4.029 -3.508 5.906
150 HB2 CYS 23 HB2 CYS 23 -5.152 -5.570 6.345
151 HB3 CYS 23 HB1 CYS 23 -6.194 -4.695 5.224
152 H ASP 24 HN ASP 24 -2.666 -5.458 6.782
153 HA ASP 24 HA ASP 24 -0.168 -5.156 5.566
154 HB2 ASP 24 HB2 ASP 24 -1.136 -7.126 7.622
155 HB3 ASP 24 HB1 ASP 24 0.529 -7.118 7.050
156 H THR 25 HN THR 25 -2.489 -7.794 5.277
157 HA THR 25 HA THR 25 -0.842 -9.593 3.897
158 HB THR 25 HB THR 25 -3.831 -9.272 3.622
159 HG1 THR 25 HG1 THR 25 -2.398 -9.893 5.753
160 HG21 THR 25 HG21 THR 25 -2.826 -10.703 1.897
161 HG22 THR 25 HG22 THR 25 -3.813 -11.638 3.022
162 HG23 THR 25 HG23 THR 25 -2.054 -11.669 3.154
163 H CYS 26 HN CYS 26 -3.101 -7.133 2.625
164 HA CYS 26 HA CYS 26 -2.471 -7.790 -0.091
165 HB2 CYS 26 HB2 CYS 26 -3.873 -5.349 0.997
166 HB3 CYS 26 HB1 CYS 26 -3.820 -5.824 -0.690
167 H SER 27 HN SER 27 -1.267 -5.459 2.254
168 HA SER 27 HA SER 27 0.053 -3.786 0.395
169 HB2 SER 27 HB2 SER 27 1.390 -3.030 2.393
170 HB3 SER 27 HB1 SER 27 -0.357 -2.922 2.593
171 HG SER 27 HG SER 27 0.994 -5.235 3.443
172 H ARG 28 HN ARG 28 0.839 -6.892 1.678
173 HA ARG 28 HA ARG 28 3.599 -6.751 0.875
174 HB2 ARG 28 HB2 ARG 28 1.834 -9.015 1.784
175 HB3 ARG 28 HB1 ARG 28 3.509 -9.249 1.305
176 HG2 ARG 28 HG2 ARG 28 4.228 -7.739 3.093
177 HG3 ARG 28 HG1 ARG 28 2.542 -7.515 3.573
178 HD2 ARG 28 HD2 ARG 28 3.718 -9.183 4.964
179 HD3 ARG 28 HD1 ARG 28 2.342 -9.867 4.099
180 HE ARG 28 HE ARG 28 4.920 -10.132 2.795
181 HH11 ARG 28 HH11 ARG 28 2.531 -11.607 4.884
182 HH12 ARG 28 HH12 ARG 28 3.071 -13.222 4.565
183 HH21 ARG 28 HH21 ARG 28 5.627 -12.248 2.364
184 HH22 ARG 28 HH22 ARG 28 4.841 -13.590 3.133
185 H VAL 29 HN VAL 29 0.585 -7.687 -0.565
186 HA VAL 29 HA VAL 29 1.906 -9.207 -2.664
187 HB VAL 29 HB VAL 29 -1.044 -8.663 -2.324
188 HG11 VAL 29 HG11 VAL 29 0.412 -10.681 -4.025
189 HG12 VAL 29 HG12 VAL 29 -0.435 -9.250 -4.611
190 HG13 VAL 29 HG13 VAL 29 -1.337 -10.559 -3.844
191 HG21 VAL 29 HG21 VAL 29 -1.150 -10.979 -1.467
192 HG22 VAL 29 HG22 VAL 29 -0.234 -9.899 -0.418
193 HG23 VAL 29 HG23 VAL 29 0.612 -11.032 -1.473
194 H PHE 30 HN PHE 30 -0.055 -6.261 -2.342
195 HA PHE 30 HA PHE 30 0.804 -5.510 -5.069
196 HB2 PHE 30 HB2 PHE 30 -1.768 -4.665 -3.703
197 HB3 PHE 30 HB1 PHE 30 -1.285 -4.296 -5.356
198 HD1 PHE 30 HD1 PHE 30 -0.938 -6.347 -6.930
199 HD2 PHE 30 HD2 PHE 30 -3.114 -6.466 -3.274
200 HE1 PHE 30 HE1 PHE 30 -2.121 -8.361 -7.697
201 HE2 PHE 30 HE2 PHE 30 -4.293 -8.480 -4.032
202 HZ PHE 30 HZ PHE 30 -3.797 -9.430 -6.248
203 H HIS 31 HN HIS 31 2.493 -4.917 -3.146
204 HA HIS 31 HA HIS 31 2.049 -2.873 -1.362
205 HB2 HIS 31 HB2 HIS 31 4.057 -4.326 -1.432
206 HB3 HIS 31 HB1 HIS 31 4.635 -3.420 -2.827
207 HD1 HIS 31 HD1 HIS 31 3.551 -2.547 0.742
208 HD2 HIS 31 HD2 HIS 31 6.394 -1.542 -2.113
209 HE1 HIS 31 HE1 HIS 31 5.092 -0.859 1.835
210 H GLU 32 HN GLU 32 3.236 -2.547 -4.699
211 HA GLU 32 HA GLU 32 3.718 0.242 -4.464
212 HB2 GLU 32 HB2 GLU 32 3.376 -1.487 -6.913
213 HB3 GLU 32 HB1 GLU 32 3.892 0.192 -6.950
214 HG2 GLU 32 HG2 GLU 32 5.830 -0.474 -5.498
215 HG3 GLU 32 HG1 GLU 32 5.355 -2.151 -5.760
216 H ASP 33 HN ASP 33 0.995 -1.651 -5.636
217 HA ASP 33 HA ASP 33 -0.485 0.580 -6.620
218 HB2 ASP 33 HB2 ASP 33 -1.284 -2.239 -5.898
219 HB3 ASP 33 HB1 ASP 33 -2.434 -1.058 -6.509
220 H CYS 34 HN CYS 34 -0.051 -0.922 -3.549
221 HA CYS 34 HA CYS 34 -2.461 0.089 -2.371
222 HB2 CYS 34 HB2 CYS 34 -0.049 -1.376 -1.348
223 HB3 CYS 34 HB1 CYS 34 -1.229 -0.697 -0.225
224 H HIS 35 HN HIS 35 0.307 1.619 -3.250
225 HA HIS 35 HA HIS 35 0.128 3.593 -1.090
226 HB2 HIS 35 HB2 HIS 35 2.132 3.167 -3.301
227 HB3 HIS 35 HB1 HIS 35 2.107 4.636 -2.324
228 HD1 HIS 35 HD1 HIS 35 2.841 4.395 0.187
229 HD2 HIS 35 HD2 HIS 35 3.014 0.880 -2.017
230 HE1 HIS 35 HE1 HIS 35 4.109 2.730 1.607
231 H ILE 36 HN ILE 36 -1.337 2.932 -3.927
232 HA ILE 36 HA ILE 36 -1.774 5.766 -4.606
233 HB ILE 36 HB ILE 36 -1.907 3.402 -6.490
234 HG12 ILE 36 HG12 ILE 36 0.247 5.517 -6.274
235 HG13 ILE 36 HG11 ILE 36 0.402 3.862 -5.702
236 HG21 ILE 36 HG21 ILE 36 -3.357 5.263 -7.123
237 HG22 ILE 36 HG22 ILE 36 -2.021 5.076 -8.257
238 HG23 ILE 36 HG23 ILE 36 -1.980 6.363 -7.054
239 HD11 ILE 36 HD11 ILE 36 0.167 3.038 -7.979
240 HD12 ILE 36 HD12 ILE 36 1.501 4.184 -7.850
241 HD13 ILE 36 HD13 ILE 36 -0.031 4.691 -8.564
242 HA PRO 37 HA PRO 37 -3.079 7.039 -5.389
243 HB2 PRO 37 HB2 PRO 37 -5.458 8.418 -4.608
244 HB3 PRO 37 HB1 PRO 37 -4.930 8.034 -6.253
245 HG2 PRO 37 HG2 PRO 37 -7.166 6.966 -5.007
246 HG3 PRO 37 HG1 PRO 37 -6.335 6.247 -6.401
247 HD2 PRO 37 HD2 PRO 37 -6.108 5.559 -3.490
248 HD3 PRO 37 HD1 PRO 37 -6.132 4.481 -4.906
249 HA PRO 38 HA PRO 38 -1.773 8.297 -1.282
250 HB2 PRO 38 HB2 PRO 38 -1.078 10.818 -2.683
251 HB3 PRO 38 HB1 PRO 38 -0.062 9.760 -1.697
252 HG2 PRO 38 HG2 PRO 38 0.205 9.813 -4.353
253 HG3 PRO 38 HG1 PRO 38 0.345 8.291 -3.449
254 HD2 PRO 38 HD2 PRO 38 -1.958 9.325 -5.072
255 HD3 PRO 38 HD1 PRO 38 -1.315 7.671 -4.950
256 H VAL 39 HN VAL 39 -2.241 9.998 0.262
257 HA VAL 39 HA VAL 39 -4.965 10.738 0.225
258 HB VAL 39 HB VAL 39 -2.770 11.659 2.081
259 HG11 VAL 39 HG11 VAL 39 -4.559 12.283 3.616
260 HG12 VAL 39 HG12 VAL 39 -5.760 11.827 2.407
261 HG13 VAL 39 HG13 VAL 39 -4.680 13.187 2.105
262 HG21 VAL 39 HG21 VAL 39 -3.069 9.262 2.169
263 HG22 VAL 39 HG22 VAL 39 -4.809 9.458 2.353
264 HG23 VAL 39 HG23 VAL 39 -3.722 9.997 3.629
265 H GLU 40 HN GLU 40 -5.354 12.028 -1.549
266 HA GLU 40 HA GLU 40 -4.375 14.791 -1.268
267 HB2 GLU 40 HB2 GLU 40 -5.433 13.496 -3.792
268 HB3 GLU 40 HB1 GLU 40 -4.726 15.098 -3.648
269 HG2 GLU 40 HG2 GLU 40 -2.572 14.091 -3.064
270 HG3 GLU 40 HG1 GLU 40 -3.286 12.488 -3.232
271 H ALA 41 HN ALA 41 -7.115 12.678 -1.854
272 HA ALA 41 HA ALA 41 -8.881 14.519 -0.547
273 HB1 ALA 41 HB1 ALA 41 -10.457 14.775 -2.386
274 HB2 ALA 41 HB2 ALA 41 -9.373 13.885 -3.453
275 HB3 ALA 41 HB3 ALA 41 -8.886 15.453 -2.812
276 H GLU 42 HN GLU 42 -9.980 13.250 0.739
277 HA GLU 42 HA GLU 42 -11.217 11.555 1.586
278 HB2 GLU 42 HB2 GLU 42 -12.067 11.218 -1.291
279 HB3 GLU 42 HB1 GLU 42 -12.926 10.607 0.119
280 HG2 GLU 42 HG2 GLU 42 -13.216 12.927 0.903
281 HG3 GLU 42 HG1 GLU 42 -12.433 13.494 -0.570
282 H ARG 43 HN ARG 43 -8.799 10.700 1.603
283 HA ARG 43 HA ARG 43 -8.938 7.935 0.581
284 HB2 ARG 43 HB2 ARG 43 -6.521 9.658 1.142
285 HB3 ARG 43 HB1 ARG 43 -6.432 7.931 0.835
286 HG2 ARG 43 HG2 ARG 43 -7.601 9.914 -1.101
287 HG3 ARG 43 HG1 ARG 43 -5.918 9.387 -1.128
288 HD2 ARG 43 HD2 ARG 43 -7.075 8.063 -2.724
289 HD3 ARG 43 HD1 ARG 43 -6.781 7.028 -1.329
290 HE ARG 43 HE ARG 43 -9.347 8.318 -1.252
291 HH11 ARG 43 HH11 ARG 43 -7.579 5.569 -2.498
292 HH12 ARG 43 HH12 ARG 43 -8.996 4.601 -2.745
293 HH21 ARG 43 HH21 ARG 43 -11.210 7.041 -1.531
294 HH22 ARG 43 HH22 ARG 43 -11.066 5.434 -2.173
295 H THR 44 HN THR 44 -8.849 6.313 2.051
296 HA THR 44 HA THR 44 -8.478 7.121 4.858
297 HB THR 44 HB THR 44 -10.147 5.386 5.464
298 HG1 THR 44 HG1 THR 44 -9.789 4.378 3.202
299 HG21 THR 44 HG21 THR 44 -11.145 7.465 3.509
300 HG22 THR 44 HG22 THR 44 -10.838 7.726 5.224
301 HG23 THR 44 HG23 THR 44 -12.125 6.633 4.715
302 HA PRO 45 HA PRO 45 -5.233 3.979 4.327
303 HB2 PRO 45 HB2 PRO 45 -4.438 4.931 6.999
304 HB3 PRO 45 HB1 PRO 45 -3.500 4.863 5.504
305 HG2 PRO 45 HG2 PRO 45 -4.357 7.196 6.527
306 HG3 PRO 45 HG1 PRO 45 -4.252 6.920 4.777
307 HD2 PRO 45 HD2 PRO 45 -6.660 6.870 6.565
308 HD3 PRO 45 HD1 PRO 45 -6.488 7.539 4.925
309 H TRP 46 HN TRP 46 -7.583 4.402 6.844
310 HA TRP 46 HA TRP 46 -6.905 1.857 8.092
311 HB2 TRP 46 HB2 TRP 46 -8.723 2.419 9.703
312 HB3 TRP 46 HB1 TRP 46 -7.463 3.644 9.623
313 HD1 TRP 46 HD1 TRP 46 -11.155 3.086 8.876
314 HE1 TRP 46 HE1 TRP 46 -12.266 5.355 8.412
315 HE3 TRP 46 HE3 TRP 46 -6.969 6.015 8.681
316 HZ2 TRP 46 HZ2 TRP 46 -11.476 8.030 8.007
317 HZ3 TRP 46 HZ3 TRP 46 -7.237 8.421 8.239
318 HH2 TRP 46 HH2 TRP 46 -9.436 9.403 7.906
319 H ASN 47 HN ASN 47 -8.033 2.157 5.341
320 HA ASN 47 HA ASN 47 -9.958 -0.012 5.630
321 HB2 ASN 47 HB2 ASN 47 -11.379 1.967 5.307
322 HB3 ASN 47 HB1 ASN 47 -10.436 2.433 3.897
323 HD21 ASN 47 HD21 ASN 47 -12.666 0.009 5.157
324 HD22 ASN 47 HD22 ASN 47 -13.213 -0.547 3.609
325 H CYS 48 HN CYS 48 -9.601 -1.611 4.108
326 HA CYS 48 HA CYS 48 -7.218 -1.158 2.499
327 HB2 CYS 48 HB2 CYS 48 -7.412 -3.183 3.986
328 HB3 CYS 48 HB1 CYS 48 -8.716 -3.757 2.954
329 H ILE 49 HN ILE 49 -7.346 -0.685 0.412
330 HA ILE 49 HA ILE 49 -9.907 -0.625 -0.864
331 HB ILE 49 HB ILE 49 -8.614 0.195 -2.880
332 HG12 ILE 49 HG12 ILE 49 -6.336 0.364 -0.904
333 HG13 ILE 49 HG11 ILE 49 -6.427 -0.815 -2.209
334 HG21 ILE 49 HG21 ILE 49 -8.413 1.695 -0.273
335 HG22 ILE 49 HG22 ILE 49 -9.755 1.727 -1.415
336 HG23 ILE 49 HG23 ILE 49 -8.196 2.417 -1.866
337 HD11 ILE 49 HD11 ILE 49 -4.985 1.060 -2.785
338 HD12 ILE 49 HD12 ILE 49 -6.325 2.178 -2.533
339 HD13 ILE 49 HD13 ILE 49 -6.395 0.999 -3.842
340 H PHE 50 HN PHE 50 -7.207 -2.801 -0.906
341 HA PHE 50 HA PHE 50 -8.061 -4.026 -3.383
342 HB2 PHE 50 HB2 PHE 50 -5.722 -4.428 -1.587
343 HB3 PHE 50 HB1 PHE 50 -6.238 -5.788 -2.591
344 HD1 PHE 50 HD2 PHE 50 -4.973 -2.334 -2.638
345 HD2 PHE 50 HD1 PHE 50 -6.015 -5.739 -4.964
346 HE1 PHE 50 HE2 PHE 50 -3.899 -1.318 -4.597
347 HE2 PHE 50 HE1 PHE 50 -4.942 -4.729 -6.933
348 HZ PHE 50 HZ PHE 50 -3.884 -2.515 -6.752
349 H CYS 51 HN CYS 51 -8.409 -4.599 0.047
350 HA CYS 51 HA CYS 51 -9.481 -7.206 -0.141
351 HB2 CYS 51 HB2 CYS 51 -9.589 -5.047 1.914
352 HB3 CYS 51 HB1 CYS 51 -10.774 -6.339 2.024
353 H ARG 52 HN ARG 52 -10.991 -4.001 -0.346
354 HA ARG 52 HA ARG 52 -13.617 -5.089 -0.646
355 HB2 ARG 52 HB2 ARG 52 -14.322 -2.797 -1.036
356 HB3 ARG 52 HB1 ARG 52 -13.241 -2.873 0.345
357 HG2 ARG 52 HG2 ARG 52 -11.389 -2.191 -1.228
358 HG3 ARG 52 HG1 ARG 52 -12.650 -1.850 -2.413
359 HD2 ARG 52 HD2 ARG 52 -12.409 -0.612 0.327
360 HD3 ARG 52 HD1 ARG 52 -11.997 0.167 -1.200
361 HE ARG 52 HE ARG 52 -14.577 -0.525 -1.566
362 HH11 ARG 52 HH11 ARG 52 -12.924 1.156 1.022
363 HH12 ARG 52 HH12 ARG 52 -14.286 2.157 1.411
364 HH21 ARG 52 HH21 ARG 52 -16.381 0.787 -1.046
365 HH22 ARG 52 HH22 ARG 52 -16.252 1.943 0.243
366 H MET 53 HN MET 53 -11.121 -5.324 -2.633
367 HA MET 53 HA MET 53 -12.655 -4.915 -5.099
368 HB2 MET 53 HB2 MET 53 -9.723 -5.424 -4.599
369 HB3 MET 53 HB1 MET 53 -10.435 -5.541 -6.203
370 HG2 MET 53 HG2 MET 53 -11.082 -3.226 -6.141
371 HG3 MET 53 HG1 MET 53 -10.532 -3.082 -4.473
372 HE1 MET 53 HE1 MET 53 -7.712 -3.734 -8.076
373 HE2 MET 53 HE2 MET 53 -9.467 -3.619 -8.204
374 HE3 MET 53 HE3 MET 53 -8.729 -5.018 -7.425
375 H LYS 54 HN LYS 54 -11.882 -7.247 -2.833
376 HA LYS 54 HA LYS 54 -11.805 -9.628 -4.241
377 HB2 LYS 54 HB2 LYS 54 -11.650 -9.345 -1.733
378 HB3 LYS 54 HB1 LYS 54 -13.398 -9.158 -1.711
379 HG2 LYS 54 HG2 LYS 54 -12.975 -11.394 -1.130
380 HG3 LYS 54 HG1 LYS 54 -13.530 -11.433 -2.803
381 HD2 LYS 54 HD2 LYS 54 -11.656 -12.916 -2.597
382 HD3 LYS 54 HD1 LYS 54 -11.141 -11.504 -3.522
383 HE2 LYS 54 HE2 LYS 54 -10.130 -10.557 -1.500
384 HE3 LYS 54 HE1 LYS 54 -10.645 -11.969 -0.580
385 HZ1 LYS 54 HZ1 LYS 54 -8.355 -12.198 -1.202
386 HZ2 LYS 54 HZ2 LYS 54 -8.714 -11.938 -2.832
387 HZ3 LYS 54 HZ3 LYS 54 -9.264 -13.336 -2.060
388 H GLU 55 HN GLU 55 -14.627 -7.761 -3.182
389 HA GLU 55 HA GLU 55 -16.515 -9.368 -4.583
390 HB2 GLU 55 HB2 GLU 55 -17.144 -8.009 -2.633
391 HB3 GLU 55 HB1 GLU 55 -16.770 -6.546 -3.530
392 HG2 GLU 55 HG2 GLU 55 -18.542 -7.104 -5.137
393 HG3 GLU 55 HG1 GLU 55 -18.935 -8.531 -4.179
394 H SER 56 HN SER 56 -15.624 -9.505 -6.664
395 HA SER 56 HA SER 56 -15.434 -7.059 -8.233
396 HB2 SER 56 HB2 SER 56 -14.903 -9.918 -9.083
397 HB3 SER 56 HB1 SER 56 -14.449 -8.453 -9.955
398 HG SER 56 HG SER 56 -13.571 -8.666 -7.323
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 9.485 -1.545 13.521
2 H2 GLY 1 HT2 GLY 1 8.473 -2.589 14.382
3 H3 GLY 1 HT3 GLY 1 8.411 -2.553 12.693
4 HA2 GLY 1 HA1 GLY 1 10.709 -3.462 14.326
5 HA3 GLY 1 HA2 GLY 1 9.594 -4.505 13.456
6 H ALA 2 HN ALA 2 12.490 -2.803 13.307
7 HA ALA 2 HA ALA 2 12.532 -2.303 10.488
8 HB1 ALA 2 HB1 ALA 2 13.851 -0.980 12.109
9 HB2 ALA 2 HB2 ALA 2 14.834 -1.655 10.809
10 HB3 ALA 2 HB3 ALA 2 14.855 -2.399 12.408
11 H MET 3 HN MET 3 13.263 -5.003 12.504
12 HA MET 3 HA MET 3 14.741 -6.330 10.351
13 HB2 MET 3 HB2 MET 3 14.325 -7.068 13.251
14 HB3 MET 3 HB1 MET 3 15.123 -8.119 12.090
15 HG2 MET 3 HG2 MET 3 16.842 -6.439 11.722
16 HG3 MET 3 HG1 MET 3 16.032 -5.351 12.846
17 HE1 MET 3 HE1 MET 3 16.485 -9.268 13.207
18 HE2 MET 3 HE2 MET 3 18.014 -9.334 14.082
19 HE3 MET 3 HE3 MET 3 17.971 -8.725 12.427
20 H GLY 4 HN GLY 4 12.464 -6.157 9.310
21 HA2 GLY 4 HA2 GLY 4 11.218 -8.784 9.683
22 HA3 GLY 4 HA1 GLY 4 10.192 -7.357 9.745
23 H MET 5 HN MET 5 9.258 -8.758 7.932
24 HA MET 5 HA MET 5 10.636 -8.716 5.414
25 HB2 MET 5 HB2 MET 5 9.064 -10.523 5.982
26 HB3 MET 5 HB1 MET 5 7.753 -9.358 6.076
27 HG2 MET 5 HG2 MET 5 8.065 -8.847 3.690
28 HG3 MET 5 HG1 MET 5 9.324 -10.077 3.610
29 HE1 MET 5 HE1 MET 5 5.521 -9.381 4.280
30 HE2 MET 5 HE2 MET 5 6.006 -10.278 5.719
31 HE3 MET 5 HE3 MET 5 4.904 -11.010 4.555
32 H ARG 6 HN ARG 6 11.059 -6.485 5.149
33 HA ARG 6 HA ARG 6 8.722 -4.988 4.166
34 HB2 ARG 6 HB2 ARG 6 11.038 -3.685 5.591
35 HB3 ARG 6 HB1 ARG 6 9.515 -2.951 5.121
36 HG2 ARG 6 HG2 ARG 6 8.346 -4.288 6.793
37 HG3 ARG 6 HG1 ARG 6 9.876 -5.044 7.254
38 HD2 ARG 6 HD2 ARG 6 9.091 -2.148 7.531
39 HD3 ARG 6 HD1 ARG 6 9.447 -3.297 8.823
40 HE ARG 6 HE ARG 6 11.722 -3.164 7.253
41 HH11 ARG 6 HH11 ARG 6 9.836 -0.967 9.213
42 HH12 ARG 6 HH12 ARG 6 11.187 0.051 9.589
43 HH21 ARG 6 HH21 ARG 6 13.490 -1.806 7.713
44 HH22 ARG 6 HH22 ARG 6 13.256 -0.415 8.725
45 H ASN 7 HN ASN 7 9.181 -5.281 1.996
46 HA ASN 7 HA ASN 7 11.852 -4.554 1.064
47 HB2 ASN 7 HB2 ASN 7 10.736 -6.539 0.063
48 HB3 ASN 7 HB1 ASN 7 9.482 -5.476 -0.572
49 HD21 ASN 7 HD21 ASN 7 9.955 -5.965 -2.722
50 HD22 ASN 7 HD22 ASN 7 11.396 -5.405 -3.504
51 H LEU 8 HN LEU 8 11.368 -2.390 1.974
52 HA LEU 8 HA LEU 8 9.724 -0.759 0.185
53 HB2 LEU 8 HB2 LEU 8 9.596 0.894 1.880
54 HB3 LEU 8 HB1 LEU 8 9.301 -0.646 2.656
55 HG LEU 8 HG LEU 8 11.920 0.863 2.755
56 HD11 LEU 8 HD11 LEU 8 10.199 2.073 3.943
57 HD12 LEU 8 HD12 LEU 8 11.301 1.317 5.094
58 HD13 LEU 8 HD13 LEU 8 9.715 0.606 4.793
59 HD21 LEU 8 HD21 LEU 8 12.430 -0.711 4.604
60 HD22 LEU 8 HD22 LEU 8 12.294 -1.495 3.031
61 HD23 LEU 8 HD23 LEU 8 10.971 -1.612 4.191
62 H ASP 9 HN ASP 9 12.675 -1.816 0.167
63 HA ASP 9 HA ASP 9 14.258 0.552 -0.035
64 HB2 ASP 9 HB2 ASP 9 14.778 -2.278 -0.966
65 HB3 ASP 9 HB1 ASP 9 15.970 -0.983 -1.013
66 H GLU 10 HN GLU 10 12.389 -1.395 -2.209
67 HA GLU 10 HA GLU 10 13.275 0.109 -4.540
68 HB2 GLU 10 HB2 GLU 10 11.208 -2.086 -4.304
69 HB3 GLU 10 HB1 GLU 10 11.776 -1.376 -5.807
70 HG2 GLU 10 HG2 GLU 10 14.015 -2.224 -5.384
71 HG3 GLU 10 HG1 GLU 10 13.474 -2.910 -3.852
72 H CYS 11 HN CYS 11 11.251 0.694 -2.091
73 HA CYS 11 HA CYS 11 9.147 1.891 -3.741
74 HB2 CYS 11 HB2 CYS 11 8.443 0.256 -2.006
75 HB3 CYS 11 HB1 CYS 11 9.107 1.325 -0.780
76 H GLU 12 HN GLU 12 10.032 3.840 -4.274
77 HA GLU 12 HA GLU 12 11.431 5.520 -2.485
78 HB2 GLU 12 HB2 GLU 12 10.027 6.033 -5.093
79 HB3 GLU 12 HB1 GLU 12 10.769 7.335 -4.174
80 HG2 GLU 12 HG2 GLU 12 12.188 4.901 -5.228
81 HG3 GLU 12 HG1 GLU 12 12.244 6.519 -5.926
82 H VAL 13 HN VAL 13 8.065 4.915 -2.991
83 HA VAL 13 HA VAL 13 7.141 7.379 -1.923
84 HB VAL 13 HB VAL 13 5.703 4.744 -2.189
85 HG11 VAL 13 HG11 VAL 13 4.750 7.513 -1.510
86 HG12 VAL 13 HG12 VAL 13 4.506 6.015 -0.608
87 HG13 VAL 13 HG13 VAL 13 3.675 6.267 -2.140
88 HG21 VAL 13 HG21 VAL 13 5.735 7.177 -3.966
89 HG22 VAL 13 HG22 VAL 13 4.731 5.746 -4.199
90 HG23 VAL 13 HG23 VAL 13 6.486 5.622 -4.319
91 H CYS 14 HN CYS 14 7.462 4.096 -0.538
92 HA CYS 14 HA CYS 14 6.717 4.811 2.090
93 HB2 CYS 14 HB2 CYS 14 8.346 2.596 0.929
94 HB3 CYS 14 HB1 CYS 14 8.389 2.852 2.668
95 H ARG 15 HN ARG 15 9.663 5.095 0.301
96 HA ARG 15 HA ARG 15 11.410 5.678 2.448
97 HB2 ARG 15 HB2 ARG 15 12.143 4.921 0.222
98 HB3 ARG 15 HB1 ARG 15 11.580 6.432 -0.470
99 HG2 ARG 15 HG2 ARG 15 13.243 7.654 0.804
100 HG3 ARG 15 HG1 ARG 15 13.801 6.147 1.539
101 HD2 ARG 15 HD2 ARG 15 14.386 5.289 -0.673
102 HD3 ARG 15 HD1 ARG 15 13.824 6.789 -1.407
103 HE ARG 15 HE ARG 15 15.764 7.393 0.523
104 HH11 ARG 15 HH11 ARG 15 15.469 5.910 -2.644
105 HH12 ARG 15 HH12 ARG 15 17.111 6.275 -3.093
106 HH21 ARG 15 HH21 ARG 15 17.897 7.880 -0.074
107 HH22 ARG 15 HH22 ARG 15 18.484 7.406 -1.639
108 H ASP 16 HN ASP 16 9.508 7.706 0.260
109 HA ASP 16 HA ASP 16 10.231 10.137 1.587
110 HB2 ASP 16 HB2 ASP 16 8.232 9.418 -0.528
111 HB3 ASP 16 HB1 ASP 16 8.157 10.996 0.249
112 H GLY 17 HN GLY 17 8.474 7.685 2.749
113 HA2 GLY 17 HA2 GLY 17 7.264 7.649 4.743
114 HA3 GLY 17 HA1 GLY 17 7.176 9.404 4.687
115 H GLY 18 HN GLY 18 6.224 7.480 1.969
116 HA2 GLY 18 HA2 GLY 18 3.645 8.534 1.762
117 HA3 GLY 18 HA1 GLY 18 4.204 7.076 0.969
118 H GLU 19 HN GLU 19 1.611 7.377 1.807
119 HA GLU 19 HA GLU 19 1.371 5.884 4.317
120 HB2 GLU 19 HB2 GLU 19 -0.576 7.529 2.712
121 HB3 GLU 19 HB1 GLU 19 -1.074 6.534 4.074
122 HG2 GLU 19 HG2 GLU 19 1.081 8.589 4.383
123 HG3 GLU 19 HG1 GLU 19 -0.621 9.047 4.447
124 H LEU 20 HN LEU 20 0.220 3.985 4.452
125 HA LEU 20 HA LEU 20 -0.282 2.612 1.906
126 HB2 LEU 20 HB2 LEU 20 0.418 1.638 4.654
127 HB3 LEU 20 HB1 LEU 20 -0.337 0.565 3.494
128 HG LEU 20 HG LEU 20 2.254 2.015 2.940
129 HD11 LEU 20 HD11 LEU 20 2.538 0.559 4.883
130 HD12 LEU 20 HD12 LEU 20 3.375 -0.092 3.473
131 HD13 LEU 20 HD13 LEU 20 1.836 -0.786 3.984
132 HD21 LEU 20 HD21 LEU 20 2.502 0.230 1.243
133 HD22 LEU 20 HD22 LEU 20 1.102 1.260 0.946
134 HD23 LEU 20 HD23 LEU 20 0.884 -0.345 1.643
135 H PHE 21 HN PHE 21 -2.312 2.141 1.340
136 HA PHE 21 HA PHE 21 -4.415 2.451 3.386
137 HB2 PHE 21 HB2 PHE 21 -4.728 2.637 0.375
138 HB3 PHE 21 HB1 PHE 21 -5.945 3.033 1.588
139 HD1 PHE 21 HD1 PHE 21 -5.232 4.908 3.301
140 HD2 PHE 21 HD2 PHE 21 -3.477 4.351 -0.546
141 HE1 PHE 21 HE1 PHE 21 -4.466 7.242 3.312
142 HE2 PHE 21 HE2 PHE 21 -2.712 6.684 -0.532
143 HZ PHE 21 HZ PHE 21 -3.178 8.126 1.401
144 H CYS 22 HN CYS 22 -2.879 0.089 3.048
145 HA CYS 22 HA CYS 22 -4.916 -1.784 2.055
146 HB2 CYS 22 HB2 CYS 22 -1.912 -2.046 1.707
147 HB3 CYS 22 HB1 CYS 22 -3.126 -3.189 1.131
148 H CYS 23 HN CYS 23 -4.871 -3.879 3.099
149 HA CYS 23 HA CYS 23 -3.982 -3.747 5.844
150 HB2 CYS 23 HB2 CYS 23 -5.196 -5.771 6.191
151 HB3 CYS 23 HB1 CYS 23 -6.172 -4.825 5.071
152 H ASP 24 HN ASP 24 -2.776 -5.722 6.729
153 HA ASP 24 HA ASP 24 -0.197 -5.649 5.776
154 HB2 ASP 24 HB2 ASP 24 -1.518 -7.871 7.335
155 HB3 ASP 24 HB1 ASP 24 0.221 -7.684 7.137
156 H THR 25 HN THR 25 -2.678 -8.031 5.011
157 HA THR 25 HA THR 25 -1.030 -9.782 3.542
158 HB THR 25 HB THR 25 -3.998 -9.368 3.199
159 HG1 THR 25 HG1 THR 25 -2.581 -11.029 5.039
160 HG21 THR 25 HG21 THR 25 -2.969 -10.784 1.487
161 HG22 THR 25 HG22 THR 25 -3.997 -11.734 2.560
162 HG23 THR 25 HG23 THR 25 -2.244 -11.784 2.746
163 H CYS 26 HN CYS 26 -3.262 -7.206 2.447
164 HA CYS 26 HA CYS 26 -2.671 -7.678 -0.302
165 HB2 CYS 26 HB2 CYS 26 -3.989 -5.298 1.004
166 HB3 CYS 26 HB1 CYS 26 -3.921 -5.582 -0.728
167 H SER 27 HN SER 27 -1.352 -5.503 2.136
168 HA SER 27 HA SER 27 0.117 -3.850 0.374
169 HB2 SER 27 HB2 SER 27 0.759 -4.614 3.233
170 HB3 SER 27 HB1 SER 27 1.423 -3.237 2.354
171 HG SER 27 HG SER 27 -0.270 -2.499 3.584
172 H ARG 28 HN ARG 28 0.696 -7.006 1.746
173 HA ARG 28 HA ARG 28 3.437 -7.204 1.041
174 HB2 ARG 28 HB2 ARG 28 2.459 -8.621 2.759
175 HB3 ARG 28 HB1 ARG 28 1.351 -9.323 1.590
176 HG2 ARG 28 HG2 ARG 28 3.282 -10.271 0.383
177 HG3 ARG 28 HG1 ARG 28 4.343 -9.640 1.643
178 HD2 ARG 28 HD2 ARG 28 3.116 -10.974 3.311
179 HD3 ARG 28 HD1 ARG 28 2.113 -11.636 2.022
180 HE ARG 28 HE ARG 28 4.622 -12.216 1.200
181 HH11 ARG 28 HH11 ARG 28 2.886 -12.793 4.184
182 HH12 ARG 28 HH12 ARG 28 3.793 -14.217 4.587
183 HH21 ARG 28 HH21 ARG 28 5.820 -14.089 1.725
184 HH22 ARG 28 HH22 ARG 28 5.457 -14.960 3.180
185 H VAL 29 HN VAL 29 0.436 -7.885 -0.632
186 HA VAL 29 HA VAL 29 1.840 -9.253 -2.787
187 HB VAL 29 HB VAL 29 -1.121 -8.721 -2.513
188 HG11 VAL 29 HG11 VAL 29 -1.370 -10.470 -4.198
189 HG12 VAL 29 HG12 VAL 29 0.381 -10.626 -4.305
190 HG13 VAL 29 HG13 VAL 29 -0.402 -9.132 -4.817
191 HG21 VAL 29 HG21 VAL 29 -1.249 -11.115 -1.864
192 HG22 VAL 29 HG22 VAL 29 -0.414 -10.108 -0.683
193 HG23 VAL 29 HG23 VAL 29 0.512 -11.143 -1.771
194 H PHE 30 HN PHE 30 -0.103 -6.331 -2.277
195 HA PHE 30 HA PHE 30 0.657 -5.447 -4.983
196 HB2 PHE 30 HB2 PHE 30 -1.824 -4.677 -3.422
197 HB3 PHE 30 HB1 PHE 30 -1.406 -4.119 -5.035
198 HD1 PHE 30 HD1 PHE 30 -1.055 -6.026 -6.803
199 HD2 PHE 30 HD2 PHE 30 -3.287 -6.456 -3.202
200 HE1 PHE 30 HE1 PHE 30 -2.270 -7.919 -7.788
201 HE2 PHE 30 HE2 PHE 30 -4.501 -8.353 -4.182
202 HZ PHE 30 HZ PHE 30 -4.046 -9.076 -6.432
203 H HIS 31 HN HIS 31 2.475 -4.944 -3.059
204 HA HIS 31 HA HIS 31 2.103 -2.639 -1.513
205 HB2 HIS 31 HB2 HIS 31 3.982 -4.293 -1.292
206 HB3 HIS 31 HB1 HIS 31 4.710 -3.573 -2.722
207 HD1 HIS 31 HD1 HIS 31 3.772 -2.613 0.841
208 HD2 HIS 31 HD2 HIS 31 6.295 -1.435 -2.239
209 HE1 HIS 31 HE1 HIS 31 5.341 -0.871 1.829
210 H GLU 32 HN GLU 32 3.469 -3.015 -4.765
211 HA GLU 32 HA GLU 32 4.169 -0.315 -5.149
212 HB2 GLU 32 HB2 GLU 32 3.500 -2.483 -7.143
213 HB3 GLU 32 HB1 GLU 32 4.156 -0.915 -7.584
214 HG2 GLU 32 HG2 GLU 32 5.563 -2.728 -5.661
215 HG3 GLU 32 HG1 GLU 32 5.772 -2.876 -7.404
216 H ASP 33 HN ASP 33 1.288 -2.156 -5.966
217 HA ASP 33 HA ASP 33 -0.067 -0.019 -7.272
218 HB2 ASP 33 HB2 ASP 33 -0.951 -2.686 -6.214
219 HB3 ASP 33 HB1 ASP 33 -2.124 -1.526 -6.825
220 H CYS 34 HN CYS 34 0.293 -0.971 -3.974
221 HA CYS 34 HA CYS 34 -1.994 0.367 -2.940
222 HB2 CYS 34 HB2 CYS 34 -0.507 -1.413 -1.767
223 HB3 CYS 34 HB1 CYS 34 0.560 -0.062 -1.392
224 H HIS 35 HN HIS 35 1.090 1.418 -4.034
225 HA HIS 35 HA HIS 35 0.740 4.043 -2.767
226 HB2 HIS 35 HB2 HIS 35 3.138 2.874 -4.189
227 HB3 HIS 35 HB1 HIS 35 3.079 4.459 -3.427
228 HD1 HIS 35 HD1 HIS 35 3.007 4.461 -0.747
229 HD2 HIS 35 HD2 HIS 35 3.536 0.755 -2.549
230 HE1 HIS 35 HE1 HIS 35 3.872 2.906 1.056
231 H ILE 36 HN ILE 36 0.621 2.377 -5.766
232 HA ILE 36 HA ILE 36 0.166 4.903 -7.189
233 HB ILE 36 HB ILE 36 1.706 2.564 -8.319
234 HG12 ILE 36 HG12 ILE 36 2.760 5.252 -7.413
235 HG13 ILE 36 HG11 ILE 36 2.963 3.742 -6.533
236 HG21 ILE 36 HG21 ILE 36 2.214 4.086 -10.165
237 HG22 ILE 36 HG22 ILE 36 1.234 5.340 -9.405
238 HG23 ILE 36 HG23 ILE 36 0.475 3.858 -9.984
239 HD11 ILE 36 HD11 ILE 36 4.270 2.832 -8.374
240 HD12 ILE 36 HD12 ILE 36 4.968 4.342 -7.785
241 HD13 ILE 36 HD13 ILE 36 4.040 4.325 -9.285
242 HA PRO 37 HA PRO 37 -1.265 5.799 -7.756
243 HB2 PRO 37 HB2 PRO 37 -4.003 6.188 -8.374
244 HB3 PRO 37 HB1 PRO 37 -2.626 6.477 -9.448
245 HG2 PRO 37 HG2 PRO 37 -4.590 4.528 -9.812
246 HG3 PRO 37 HG1 PRO 37 -2.999 4.548 -10.597
247 HD2 PRO 37 HD2 PRO 37 -3.903 3.031 -8.172
248 HD3 PRO 37 HD1 PRO 37 -2.836 2.507 -9.498
249 HA PRO 38 HA PRO 38 -3.088 5.677 -3.671
250 HB2 PRO 38 HB2 PRO 38 -2.651 8.522 -3.400
251 HB3 PRO 38 HB1 PRO 38 -1.781 7.195 -2.628
252 HG2 PRO 38 HG2 PRO 38 -0.682 8.837 -4.529
253 HG3 PRO 38 HG1 PRO 38 -0.137 7.179 -4.210
254 HD2 PRO 38 HD2 PRO 38 -1.893 8.211 -6.411
255 HD3 PRO 38 HD1 PRO 38 -0.646 6.943 -6.454
256 H VAL 39 HN VAL 39 -5.159 5.854 -3.017
257 HA VAL 39 HA VAL 39 -7.029 7.491 -4.470
258 HB VAL 39 HB VAL 39 -8.723 6.623 -2.939
259 HG11 VAL 39 HG11 VAL 39 -8.553 4.250 -3.485
260 HG12 VAL 39 HG12 VAL 39 -6.857 4.475 -3.913
261 HG13 VAL 39 HG13 VAL 39 -8.116 5.268 -4.858
262 HG21 VAL 39 HG21 VAL 39 -7.465 6.601 -0.880
263 HG22 VAL 39 HG22 VAL 39 -6.425 5.317 -1.499
264 HG23 VAL 39 HG23 VAL 39 -8.134 5.000 -1.191
265 H GLU 40 HN GLU 40 -8.215 9.275 -3.594
266 HA GLU 40 HA GLU 40 -6.832 10.546 -1.330
267 HB2 GLU 40 HB2 GLU 40 -7.940 11.940 -3.768
268 HB3 GLU 40 HB1 GLU 40 -7.112 12.709 -2.421
269 HG2 GLU 40 HG2 GLU 40 -5.096 11.338 -2.997
270 HG3 GLU 40 HG1 GLU 40 -5.946 10.819 -4.451
271 H ALA 41 HN ALA 41 -9.879 9.836 -2.810
272 HA ALA 41 HA ALA 41 -11.363 11.693 -1.184
273 HB1 ALA 41 HB1 ALA 41 -12.393 9.431 -2.889
274 HB2 ALA 41 HB2 ALA 41 -12.141 11.088 -3.435
275 HB3 ALA 41 HB3 ALA 41 -13.348 10.741 -2.196
276 H GLU 42 HN GLU 42 -10.648 8.259 -1.172
277 HA GLU 42 HA GLU 42 -11.807 8.097 1.530
278 HB2 GLU 42 HB2 GLU 42 -11.760 5.939 -0.589
279 HB3 GLU 42 HB1 GLU 42 -12.345 5.735 1.055
280 HG2 GLU 42 HG2 GLU 42 -14.106 7.355 0.653
281 HG3 GLU 42 HG1 GLU 42 -13.508 7.611 -0.986
282 H ARG 43 HN ARG 43 -9.270 8.891 1.242
283 HA ARG 43 HA ARG 43 -7.433 6.680 1.229
284 HB2 ARG 43 HB2 ARG 43 -5.741 8.445 1.803
285 HB3 ARG 43 HB1 ARG 43 -6.605 8.689 0.294
286 HG2 ARG 43 HG2 ARG 43 -7.885 10.442 1.183
287 HG3 ARG 43 HG1 ARG 43 -7.446 10.029 2.842
288 HD2 ARG 43 HD2 ARG 43 -5.515 11.008 0.742
289 HD3 ARG 43 HD1 ARG 43 -6.259 12.030 1.971
290 HE ARG 43 HE ARG 43 -5.100 10.068 3.425
291 HH11 ARG 43 HH11 ARG 43 -3.890 12.209 0.930
292 HH12 ARG 43 HH12 ARG 43 -2.278 12.245 1.570
293 HH21 ARG 43 HH21 ARG 43 -2.974 10.127 4.273
294 HH22 ARG 43 HH22 ARG 43 -1.757 11.060 3.457
295 H THR 44 HN THR 44 -8.549 5.569 2.975
296 HA THR 44 HA THR 44 -7.863 6.603 5.638
297 HB THR 44 HB THR 44 -9.530 4.961 6.485
298 HG1 THR 44 HG1 THR 44 -9.306 3.621 4.485
299 HG21 THR 44 HG21 THR 44 -11.521 6.155 5.698
300 HG22 THR 44 HG22 THR 44 -10.589 6.838 4.365
301 HG23 THR 44 HG23 THR 44 -10.202 7.279 6.028
302 HA PRO 45 HA PRO 45 -4.649 3.419 5.267
303 HB2 PRO 45 HB2 PRO 45 -3.834 4.481 7.895
304 HB3 PRO 45 HB1 PRO 45 -2.904 4.346 6.397
305 HG2 PRO 45 HG2 PRO 45 -3.748 6.724 7.305
306 HG3 PRO 45 HG1 PRO 45 -3.692 6.357 5.570
307 HD2 PRO 45 HD2 PRO 45 -6.051 6.374 7.428
308 HD3 PRO 45 HD1 PRO 45 -5.924 6.987 5.762
309 H TRP 46 HN TRP 46 -6.931 3.930 7.836
310 HA TRP 46 HA TRP 46 -6.236 1.423 9.150
311 HB2 TRP 46 HB2 TRP 46 -8.038 2.031 10.761
312 HB3 TRP 46 HB1 TRP 46 -6.786 3.258 10.628
313 HD1 TRP 46 HD1 TRP 46 -10.485 2.659 9.894
314 HE1 TRP 46 HE1 TRP 46 -11.609 4.917 9.393
315 HE3 TRP 46 HE3 TRP 46 -6.311 5.610 9.671
316 HZ2 TRP 46 HZ2 TRP 46 -10.830 7.593 8.963
317 HZ3 TRP 46 HZ3 TRP 46 -6.593 8.012 9.209
318 HH2 TRP 46 HH2 TRP 46 -8.799 8.978 8.859
319 H ASN 47 HN ASN 47 -7.459 1.700 6.399
320 HA ASN 47 HA ASN 47 -9.385 -0.454 6.725
321 HB2 ASN 47 HB2 ASN 47 -10.785 1.593 6.702
322 HB3 ASN 47 HB1 ASN 47 -10.035 2.083 5.190
323 HD21 ASN 47 HD21 ASN 47 -12.248 -0.161 6.692
324 HD22 ASN 47 HD22 ASN 47 -12.978 -0.719 5.224
325 H CYS 48 HN CYS 48 -9.305 -1.881 4.973
326 HA CYS 48 HA CYS 48 -7.155 -1.315 3.090
327 HB2 CYS 48 HB2 CYS 48 -7.199 -3.504 4.274
328 HB3 CYS 48 HB1 CYS 48 -8.723 -3.881 3.478
329 H ILE 49 HN ILE 49 -7.565 -0.539 1.144
330 HA ILE 49 HA ILE 49 -10.262 -0.490 0.136
331 HB ILE 49 HB ILE 49 -9.231 0.648 -1.868
332 HG12 ILE 49 HG12 ILE 49 -6.763 0.750 -0.135
333 HG13 ILE 49 HG11 ILE 49 -6.939 -0.326 -1.519
334 HG21 ILE 49 HG21 ILE 49 -8.789 1.856 0.860
335 HG22 ILE 49 HG22 ILE 49 -10.268 1.925 -0.098
336 HG23 ILE 49 HG23 ILE 49 -8.817 2.759 -0.653
337 HD11 ILE 49 HD11 ILE 49 -5.658 1.658 -2.092
338 HD12 ILE 49 HD12 ILE 49 -7.003 2.684 -1.591
339 HD13 ILE 49 HD13 ILE 49 -7.180 1.617 -2.983
340 H PHE 50 HN PHE 50 -7.487 -2.507 -0.296
341 HA PHE 50 HA PHE 50 -8.276 -3.444 -2.904
342 HB2 PHE 50 HB2 PHE 50 -6.061 -4.162 -1.024
343 HB3 PHE 50 HB1 PHE 50 -6.491 -5.278 -2.320
344 HD1 PHE 50 HD2 PHE 50 -5.272 -1.894 -1.556
345 HD2 PHE 50 HD1 PHE 50 -5.959 -4.799 -4.586
346 HE1 PHE 50 HE2 PHE 50 -3.923 -0.569 -3.125
347 HE2 PHE 50 HE1 PHE 50 -4.607 -3.480 -6.161
348 HZ PHE 50 HZ PHE 50 -3.644 -1.353 -5.469
349 H CYS 51 HN CYS 51 -8.649 -4.558 0.414
350 HA CYS 51 HA CYS 51 -9.703 -7.106 -0.222
351 HB2 CYS 51 HB2 CYS 51 -9.843 -5.330 2.193
352 HB3 CYS 51 HB1 CYS 51 -10.914 -6.720 2.095
353 H ARG 52 HN ARG 52 -11.240 -3.980 0.396
354 HA ARG 52 HA ARG 52 -13.860 -4.918 -0.215
355 HB2 ARG 52 HB2 ARG 52 -13.683 -3.145 1.336
356 HB3 ARG 52 HB1 ARG 52 -12.633 -2.218 0.282
357 HG2 ARG 52 HG2 ARG 52 -14.437 -1.634 -1.138
358 HG3 ARG 52 HG1 ARG 52 -15.520 -2.779 -0.338
359 HD2 ARG 52 HD2 ARG 52 -15.727 -0.300 0.288
360 HD3 ARG 52 HD1 ARG 52 -15.656 -1.477 1.597
361 HE ARG 52 HE ARG 52 -13.522 -0.724 2.153
362 HH11 ARG 52 HH11 ARG 52 -14.746 0.953 -0.668
363 HH12 ARG 52 HH12 ARG 52 -13.580 2.231 -0.566
364 HH21 ARG 52 HH21 ARG 52 -11.996 0.956 2.296
365 HH22 ARG 52 HH22 ARG 52 -12.023 2.240 1.124
366 H MET 53 HN MET 53 -11.223 -4.065 -2.117
367 HA MET 53 HA MET 53 -12.622 -2.907 -4.339
368 HB2 MET 53 HB2 MET 53 -10.175 -2.561 -3.905
369 HB3 MET 53 HB1 MET 53 -9.906 -4.237 -4.364
370 HG2 MET 53 HG2 MET 53 -9.404 -2.699 -6.187
371 HG3 MET 53 HG1 MET 53 -10.728 -3.791 -6.593
372 HE1 MET 53 HE1 MET 53 -11.583 -0.422 -8.457
373 HE2 MET 53 HE2 MET 53 -11.259 -2.143 -8.655
374 HE3 MET 53 HE3 MET 53 -9.971 -1.056 -8.138
375 H LYS 54 HN LYS 54 -11.620 -6.100 -3.372
376 HA LYS 54 HA LYS 54 -12.938 -7.228 -5.745
377 HB2 LYS 54 HB2 LYS 54 -10.839 -8.370 -3.897
378 HB3 LYS 54 HB1 LYS 54 -11.756 -9.377 -5.007
379 HG2 LYS 54 HG2 LYS 54 -10.006 -7.056 -5.821
380 HG3 LYS 54 HG1 LYS 54 -9.555 -8.761 -5.894
381 HD2 LYS 54 HD2 LYS 54 -11.352 -9.191 -7.475
382 HD3 LYS 54 HD1 LYS 54 -11.880 -7.513 -7.359
383 HE2 LYS 54 HE2 LYS 54 -10.579 -7.879 -9.382
384 HE3 LYS 54 HE1 LYS 54 -9.754 -6.771 -8.290
385 HZ1 LYS 54 HZ1 LYS 54 -8.315 -8.551 -7.584
386 HZ2 LYS 54 HZ2 LYS 54 -8.255 -8.413 -9.266
387 HZ3 LYS 54 HZ3 LYS 54 -9.142 -9.662 -8.557
388 H GLU 55 HN GLU 55 -14.639 -6.242 -4.042
389 HA GLU 55 HA GLU 55 -15.648 -8.529 -2.490
390 HB2 GLU 55 HB2 GLU 55 -14.812 -6.725 -1.025
391 HB3 GLU 55 HB1 GLU 55 -15.890 -5.588 -1.818
392 HG2 GLU 55 HG2 GLU 55 -16.880 -6.201 0.240
393 HG3 GLU 55 HG1 GLU 55 -17.802 -6.990 -1.041
394 H SER 56 HN SER 56 -17.670 -9.154 -3.042
395 HA SER 56 HA SER 56 -19.078 -7.591 -5.045
396 HB2 SER 56 HB2 SER 56 -18.833 -10.098 -5.230
397 HB3 SER 56 HB1 SER 56 -19.889 -10.245 -3.830
398 HG SER 56 HG SER 56 -21.303 -8.781 -5.286
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 13.473 -3.174 13.885
2 H2 GLY 1 HT2 GLY 1 14.921 -3.334 13.029
3 H3 GLY 1 HT3 GLY 1 13.838 -4.631 13.106
4 HA2 GLY 1 HA1 GLY 1 12.201 -3.387 11.852
5 HA3 GLY 1 HA2 GLY 1 13.316 -2.029 11.781
6 H ALA 2 HN ALA 2 12.069 -3.728 9.677
7 HA ALA 2 HA ALA 2 12.574 -4.660 7.676
8 HB1 ALA 2 HB1 ALA 2 13.676 -2.498 7.382
9 HB2 ALA 2 HB2 ALA 2 14.528 -3.779 6.520
10 HB3 ALA 2 HB3 ALA 2 15.167 -3.169 8.047
11 H MET 3 HN MET 3 12.655 -6.680 9.136
12 HA MET 3 HA MET 3 15.142 -8.091 8.487
13 HB2 MET 3 HB2 MET 3 13.819 -8.046 11.205
14 HB3 MET 3 HB1 MET 3 14.960 -9.290 10.720
15 HG2 MET 3 HG2 MET 3 16.706 -7.641 10.452
16 HG3 MET 3 HG1 MET 3 15.573 -6.340 10.811
17 HE1 MET 3 HE1 MET 3 16.882 -9.519 13.895
18 HE2 MET 3 HE2 MET 3 17.418 -9.500 12.215
19 HE3 MET 3 HE3 MET 3 15.737 -9.863 12.601
20 H GLY 4 HN GLY 4 12.747 -8.139 7.080
21 HA2 GLY 4 HA2 GLY 4 12.255 -10.908 6.915
22 HA3 GLY 4 HA1 GLY 4 10.948 -10.154 7.813
23 H MET 5 HN MET 5 9.403 -9.016 6.737
24 HA MET 5 HA MET 5 9.736 -8.815 3.821
25 HB2 MET 5 HB2 MET 5 7.237 -9.436 5.405
26 HB3 MET 5 HB1 MET 5 7.243 -9.069 3.686
27 HG2 MET 5 HG2 MET 5 8.620 -11.024 3.253
28 HG3 MET 5 HG1 MET 5 8.680 -11.381 4.978
29 HE1 MET 5 HE1 MET 5 6.405 -14.230 3.527
30 HE2 MET 5 HE2 MET 5 7.856 -13.863 4.460
31 HE3 MET 5 HE3 MET 5 7.792 -13.477 2.740
32 H ARG 6 HN ARG 6 10.697 -6.740 4.819
33 HA ARG 6 HA ARG 6 8.564 -4.706 4.908
34 HB2 ARG 6 HB2 ARG 6 10.043 -5.032 6.990
35 HB3 ARG 6 HB1 ARG 6 11.344 -4.357 6.024
36 HG2 ARG 6 HG2 ARG 6 10.629 -2.472 7.062
37 HG3 ARG 6 HG1 ARG 6 9.595 -2.425 5.635
38 HD2 ARG 6 HD2 ARG 6 8.857 -3.416 8.385
39 HD3 ARG 6 HD1 ARG 6 8.268 -1.962 7.592
40 HE ARG 6 HE ARG 6 7.658 -4.685 6.631
41 HH11 ARG 6 HH11 ARG 6 6.697 -1.380 7.316
42 HH12 ARG 6 HH12 ARG 6 5.045 -1.637 6.859
43 HH21 ARG 6 HH21 ARG 6 5.474 -5.019 6.043
44 HH22 ARG 6 HH22 ARG 6 4.350 -3.700 6.134
45 H ASN 7 HN ASN 7 9.221 -5.505 2.468
46 HA ASN 7 HA ASN 7 11.529 -4.196 1.392
47 HB2 ASN 7 HB2 ASN 7 10.671 -6.228 0.349
48 HB3 ASN 7 HB1 ASN 7 9.159 -5.412 -0.028
49 HD21 ASN 7 HD21 ASN 7 9.285 -5.588 -2.231
50 HD22 ASN 7 HD22 ASN 7 10.494 -4.805 -3.184
51 H LEU 8 HN LEU 8 11.181 -2.062 2.126
52 HA LEU 8 HA LEU 8 9.444 -0.568 0.291
53 HB2 LEU 8 HB2 LEU 8 9.358 1.209 2.078
54 HB3 LEU 8 HB1 LEU 8 8.462 -0.256 2.412
55 HG LEU 8 HG LEU 8 10.532 -0.979 3.771
56 HD11 LEU 8 HD11 LEU 8 11.870 0.807 4.696
57 HD12 LEU 8 HD12 LEU 8 11.016 1.993 3.710
58 HD13 LEU 8 HD13 LEU 8 12.033 0.777 2.940
59 HD21 LEU 8 HD21 LEU 8 8.802 1.301 4.713
60 HD22 LEU 8 HD22 LEU 8 9.696 0.184 5.744
61 HD23 LEU 8 HD23 LEU 8 8.372 -0.409 4.742
62 H ASP 9 HN ASP 9 12.348 -1.494 0.501
63 HA ASP 9 HA ASP 9 13.877 0.942 0.592
64 HB2 ASP 9 HB2 ASP 9 14.827 -1.226 1.312
65 HB3 ASP 9 HB1 ASP 9 14.697 -1.817 -0.338
66 H GLU 10 HN GLU 10 12.418 -1.078 -1.806
67 HA GLU 10 HA GLU 10 13.578 0.404 -4.028
68 HB2 GLU 10 HB2 GLU 10 11.552 -1.842 -3.992
69 HB3 GLU 10 HB1 GLU 10 12.310 -1.175 -5.430
70 HG2 GLU 10 HG2 GLU 10 13.874 -2.422 -3.196
71 HG3 GLU 10 HG1 GLU 10 13.262 -3.338 -4.571
72 H CYS 11 HN CYS 11 11.241 1.002 -1.912
73 HA CYS 11 HA CYS 11 9.296 2.051 -3.842
74 HB2 CYS 11 HB2 CYS 11 8.558 0.383 -2.100
75 HB3 CYS 11 HB1 CYS 11 8.918 1.597 -0.886
76 H GLU 12 HN GLU 12 10.152 4.029 -4.320
77 HA GLU 12 HA GLU 12 11.526 5.649 -2.461
78 HB2 GLU 12 HB2 GLU 12 10.342 6.275 -5.157
79 HB3 GLU 12 HB1 GLU 12 11.286 7.426 -4.223
80 HG2 GLU 12 HG2 GLU 12 12.248 4.763 -5.248
81 HG3 GLU 12 HG1 GLU 12 12.655 6.348 -5.903
82 H VAL 13 HN VAL 13 8.156 5.357 -3.274
83 HA VAL 13 HA VAL 13 7.399 7.826 -2.083
84 HB VAL 13 HB VAL 13 5.930 6.774 -3.698
85 HG11 VAL 13 HG11 VAL 13 4.649 4.777 -3.151
86 HG12 VAL 13 HG12 VAL 13 5.576 4.594 -1.663
87 HG13 VAL 13 HG13 VAL 13 6.377 4.449 -3.227
88 HG21 VAL 13 HG21 VAL 13 4.674 6.877 -0.963
89 HG22 VAL 13 HG22 VAL 13 3.816 6.977 -2.501
90 HG23 VAL 13 HG23 VAL 13 4.939 8.255 -2.032
91 H CYS 14 HN CYS 14 7.566 4.470 -0.900
92 HA CYS 14 HA CYS 14 6.740 5.038 1.741
93 HB2 CYS 14 HB2 CYS 14 8.239 2.834 0.438
94 HB3 CYS 14 HB1 CYS 14 8.390 2.986 2.182
95 H ARG 15 HN ARG 15 9.777 5.303 0.078
96 HA ARG 15 HA ARG 15 11.465 5.826 2.275
97 HB2 ARG 15 HB2 ARG 15 12.287 5.277 0.027
98 HB3 ARG 15 HB1 ARG 15 11.630 6.785 -0.585
99 HG2 ARG 15 HG2 ARG 15 13.188 8.034 0.811
100 HG3 ARG 15 HG1 ARG 15 13.854 6.520 1.426
101 HD2 ARG 15 HD2 ARG 15 14.468 5.894 -0.883
102 HD3 ARG 15 HD1 ARG 15 13.872 7.456 -1.438
103 HE ARG 15 HE ARG 15 15.760 7.937 0.554
104 HH11 ARG 15 HH11 ARG 15 15.617 6.609 -2.688
105 HH12 ARG 15 HH12 ARG 15 17.272 7.011 -3.055
106 HH21 ARG 15 HH21 ARG 15 17.913 8.499 0.058
107 HH22 ARG 15 HH22 ARG 15 18.573 8.089 -1.497
108 H ASP 16 HN ASP 16 9.501 7.892 0.229
109 HA ASP 16 HA ASP 16 10.125 10.322 1.549
110 HB2 ASP 16 HB2 ASP 16 9.258 10.292 -0.716
111 HB3 ASP 16 HB1 ASP 16 7.766 9.538 -0.173
112 H GLY 17 HN GLY 17 8.244 7.688 2.487
113 HA2 GLY 17 HA2 GLY 17 7.367 7.526 4.692
114 HA3 GLY 17 HA1 GLY 17 7.121 9.268 4.689
115 H GLY 18 HN GLY 18 6.165 7.461 1.909
116 HA2 GLY 18 HA2 GLY 18 3.535 8.320 1.872
117 HA3 GLY 18 HA1 GLY 18 4.131 6.907 1.023
118 H GLU 19 HN GLU 19 1.559 7.282 2.166
119 HA GLU 19 HA GLU 19 1.552 5.584 4.553
120 HB2 GLU 19 HB2 GLU 19 -0.641 7.234 3.286
121 HB3 GLU 19 HB1 GLU 19 -0.814 6.304 4.768
122 HG2 GLU 19 HG2 GLU 19 0.939 7.720 5.802
123 HG3 GLU 19 HG1 GLU 19 0.987 8.681 4.326
124 H LEU 20 HN LEU 20 0.453 3.660 4.636
125 HA LEU 20 HA LEU 20 -0.253 2.498 2.038
126 HB2 LEU 20 HB2 LEU 20 0.630 1.329 4.649
127 HB3 LEU 20 HB1 LEU 20 -0.215 0.340 3.475
128 HG LEU 20 HG LEU 20 2.324 1.836 2.817
129 HD11 LEU 20 HD11 LEU 20 2.784 0.280 4.633
130 HD12 LEU 20 HD12 LEU 20 3.475 -0.308 3.122
131 HD13 LEU 20 HD13 LEU 20 1.984 -1.015 3.743
132 HD21 LEU 20 HD21 LEU 20 1.014 1.193 0.881
133 HD22 LEU 20 HD22 LEU 20 0.858 -0.452 1.495
134 HD23 LEU 20 HD23 LEU 20 2.435 0.157 0.999
135 H PHE 21 HN PHE 21 -2.309 2.222 1.540
136 HA PHE 21 HA PHE 21 -4.290 2.242 3.719
137 HB2 PHE 21 HB2 PHE 21 -4.648 2.908 0.783
138 HB3 PHE 21 HB1 PHE 21 -5.925 2.957 2.000
139 HD1 PHE 21 HD1 PHE 21 -5.612 4.545 3.981
140 HD2 PHE 21 HD2 PHE 21 -3.289 4.778 0.414
141 HE1 PHE 21 HE1 PHE 21 -4.993 6.854 4.534
142 HE2 PHE 21 HE2 PHE 21 -2.675 7.088 0.968
143 HZ PHE 21 HZ PHE 21 -3.525 8.131 3.032
144 H CYS 22 HN CYS 22 -2.866 -0.050 3.179
145 HA CYS 22 HA CYS 22 -4.947 -1.824 2.113
146 HB2 CYS 22 HB2 CYS 22 -1.948 -2.061 1.713
147 HB3 CYS 22 HB1 CYS 22 -3.128 -3.273 1.216
148 H CYS 23 HN CYS 23 -4.977 -3.927 3.119
149 HA CYS 23 HA CYS 23 -4.145 -3.854 5.883
150 HB2 CYS 23 HB2 CYS 23 -5.412 -5.860 6.176
151 HB3 CYS 23 HB1 CYS 23 -6.348 -4.855 5.075
152 H ASP 24 HN ASP 24 -2.982 -5.866 6.772
153 HA ASP 24 HA ASP 24 -0.384 -5.766 5.859
154 HB2 ASP 24 HB2 ASP 24 -1.695 -8.015 7.398
155 HB3 ASP 24 HB1 ASP 24 0.041 -7.797 7.219
156 H THR 25 HN THR 25 -2.844 -8.165 5.068
157 HA THR 25 HA THR 25 -1.197 -9.897 3.598
158 HB THR 25 HB THR 25 -4.150 -9.425 3.184
159 HG1 THR 25 HG1 THR 25 -3.145 -11.483 4.808
160 HG21 THR 25 HG21 THR 25 -4.164 -11.766 2.457
161 HG22 THR 25 HG22 THR 25 -2.417 -11.849 2.682
162 HG23 THR 25 HG23 THR 25 -3.098 -10.794 1.443
163 H CYS 26 HN CYS 26 -3.329 -7.253 2.467
164 HA CYS 26 HA CYS 26 -2.661 -7.707 -0.271
165 HB2 CYS 26 HB2 CYS 26 -3.989 -5.318 1.005
166 HB3 CYS 26 HB1 CYS 26 -3.890 -5.614 -0.723
167 H SER 27 HN SER 27 -1.410 -5.576 2.234
168 HA SER 27 HA SER 27 0.021 -3.824 0.549
169 HB2 SER 27 HB2 SER 27 0.665 -4.668 3.386
170 HB3 SER 27 HB1 SER 27 1.302 -3.248 2.559
171 HG SER 27 HG SER 27 -0.434 -2.639 3.839
172 H ARG 28 HN ARG 28 0.694 -7.027 1.741
173 HA ARG 28 HA ARG 28 3.441 -7.018 0.908
174 HB2 ARG 28 HB2 ARG 28 1.548 -9.170 1.823
175 HB3 ARG 28 HB1 ARG 28 3.181 -9.532 1.281
176 HG2 ARG 28 HG2 ARG 28 4.128 -8.258 3.062
177 HG3 ARG 28 HG1 ARG 28 2.543 -7.636 3.528
178 HD2 ARG 28 HD2 ARG 28 3.391 -9.484 4.974
179 HD3 ARG 28 HD1 ARG 28 1.822 -9.799 4.234
180 HE ARG 28 HE ARG 28 4.049 -10.820 2.723
181 HH11 ARG 28 HH11 ARG 28 1.824 -11.487 5.341
182 HH12 ARG 28 HH12 ARG 28 1.944 -13.210 5.164
183 HH21 ARG 28 HH21 ARG 28 4.196 -13.074 2.487
184 HH22 ARG 28 HH22 ARG 28 3.288 -14.112 3.542
185 H VAL 29 HN VAL 29 0.373 -8.058 -0.450
186 HA VAL 29 HA VAL 29 1.629 -9.464 -2.628
187 HB VAL 29 HB VAL 29 -1.284 -8.728 -2.295
188 HG11 VAL 29 HG11 VAL 29 0.042 -10.756 -4.090
189 HG12 VAL 29 HG12 VAL 29 -0.695 -9.241 -4.606
190 HG13 VAL 29 HG13 VAL 29 -1.695 -10.518 -3.914
191 HG21 VAL 29 HG21 VAL 29 -0.556 -10.123 -0.454
192 HG22 VAL 29 HG22 VAL 29 0.176 -11.264 -1.579
193 HG23 VAL 29 HG23 VAL 29 -1.573 -11.055 -1.549
194 H PHE 30 HN PHE 30 -0.134 -6.416 -2.217
195 HA PHE 30 HA PHE 30 0.736 -5.647 -4.928
196 HB2 PHE 30 HB2 PHE 30 -1.803 -4.763 -3.528
197 HB3 PHE 30 HB1 PHE 30 -1.307 -4.331 -5.157
198 HD1 PHE 30 HD1 PHE 30 -0.891 -6.428 -6.749
199 HD2 PHE 30 HD2 PHE 30 -3.344 -6.416 -3.271
200 HE1 PHE 30 HE1 PHE 30 -2.141 -8.352 -7.627
201 HE2 PHE 30 HE2 PHE 30 -4.593 -8.343 -4.138
202 HZ PHE 30 HZ PHE 30 -3.995 -9.315 -6.322
203 H HIS 31 HN HIS 31 2.508 -5.059 -3.013
204 HA HIS 31 HA HIS 31 2.055 -2.757 -1.486
205 HB2 HIS 31 HB2 HIS 31 3.962 -4.309 -1.157
206 HB3 HIS 31 HB1 HIS 31 4.690 -3.691 -2.637
207 HD1 HIS 31 HD1 HIS 31 3.743 -2.482 0.847
208 HD2 HIS 31 HD2 HIS 31 6.246 -1.487 -2.313
209 HE1 HIS 31 HE1 HIS 31 5.259 -0.632 1.692
210 H GLU 32 HN GLU 32 3.486 -3.087 -4.723
211 HA GLU 32 HA GLU 32 4.148 -0.340 -4.991
212 HB2 GLU 32 HB2 GLU 32 3.754 -2.510 -7.053
213 HB3 GLU 32 HB1 GLU 32 4.329 -0.895 -7.438
214 HG2 GLU 32 HG2 GLU 32 6.303 -1.226 -6.101
215 HG3 GLU 32 HG1 GLU 32 5.711 -2.795 -5.555
216 H ASP 33 HN ASP 33 1.369 -2.270 -5.814
217 HA ASP 33 HA ASP 33 0.046 -0.245 -7.337
218 HB2 ASP 33 HB2 ASP 33 -1.113 -2.724 -6.048
219 HB3 ASP 33 HB1 ASP 33 -1.880 -1.759 -7.300
220 H CYS 34 HN CYS 34 0.307 -1.036 -3.993
221 HA CYS 34 HA CYS 34 -2.127 0.146 -3.093
222 HB2 CYS 34 HB2 CYS 34 -0.690 -1.544 -1.812
223 HB3 CYS 34 HB1 CYS 34 0.395 -0.200 -1.461
224 H HIS 35 HN HIS 35 0.795 1.474 -4.198
225 HA HIS 35 HA HIS 35 0.393 3.965 -2.702
226 HB2 HIS 35 HB2 HIS 35 2.722 3.025 -4.382
227 HB3 HIS 35 HB1 HIS 35 2.648 4.575 -3.545
228 HD1 HIS 35 HD1 HIS 35 2.721 4.451 -0.862
229 HD2 HIS 35 HD2 HIS 35 3.372 0.860 -2.851
230 HE1 HIS 35 HE1 HIS 35 3.727 2.868 0.833
231 H ILE 36 HN ILE 36 -0.786 2.718 -5.402
232 HA ILE 36 HA ILE 36 -0.701 5.265 -6.873
233 HB ILE 36 HB ILE 36 -0.753 2.500 -8.097
234 HG12 ILE 36 HG12 ILE 36 1.468 4.559 -8.053
235 HG13 ILE 36 HG11 ILE 36 1.436 3.073 -7.111
236 HG21 ILE 36 HG21 ILE 36 -0.475 3.670 -10.234
237 HG22 ILE 36 HG22 ILE 36 -0.593 5.218 -9.395
238 HG23 ILE 36 HG23 ILE 36 -1.976 4.124 -9.427
239 HD11 ILE 36 HD11 ILE 36 1.503 3.250 -10.115
240 HD12 ILE 36 HD12 ILE 36 1.482 1.762 -9.167
241 HD13 ILE 36 HD13 ILE 36 2.863 2.854 -9.063
242 HA PRO 37 HA PRO 37 -1.702 6.526 -7.917
243 HB2 PRO 37 HB2 PRO 37 -3.919 8.286 -7.614
244 HB3 PRO 37 HB1 PRO 37 -3.308 7.597 -9.123
245 HG2 PRO 37 HG2 PRO 37 -5.777 7.035 -7.952
246 HG3 PRO 37 HG1 PRO 37 -4.984 6.072 -9.209
247 HD2 PRO 37 HD2 PRO 37 -5.107 5.617 -6.258
248 HD3 PRO 37 HD1 PRO 37 -5.102 4.433 -7.586
249 HA PRO 38 HA PRO 38 -0.766 8.786 -4.151
250 HB2 PRO 38 HB2 PRO 38 -1.497 11.292 -5.581
251 HB3 PRO 38 HB1 PRO 38 -0.024 10.894 -4.691
252 HG2 PRO 38 HG2 PRO 38 -0.044 10.935 -7.365
253 HG3 PRO 38 HG1 PRO 38 0.901 9.731 -6.466
254 HD2 PRO 38 HD2 PRO 38 -1.682 9.405 -7.936
255 HD3 PRO 38 HD1 PRO 38 -0.347 8.249 -7.726
256 H VAL 39 HN VAL 39 -1.994 9.175 -2.399
257 HA VAL 39 HA VAL 39 -4.812 9.125 -2.699
258 HB VAL 39 HB VAL 39 -3.771 7.969 -0.849
259 HG11 VAL 39 HG11 VAL 39 -2.937 10.703 0.082
260 HG12 VAL 39 HG12 VAL 39 -1.901 9.330 -0.310
261 HG13 VAL 39 HG13 VAL 39 -2.935 9.276 1.114
262 HG21 VAL 39 HG21 VAL 39 -5.528 10.206 0.136
263 HG22 VAL 39 HG22 VAL 39 -5.274 8.648 0.921
264 HG23 VAL 39 HG23 VAL 39 -6.092 8.726 -0.639
265 H GLU 40 HN GLU 40 -6.050 10.748 -3.153
266 HA GLU 40 HA GLU 40 -5.764 13.272 -1.750
267 HB2 GLU 40 HB2 GLU 40 -4.478 13.502 -3.892
268 HB3 GLU 40 HB1 GLU 40 -5.960 13.159 -4.769
269 HG2 GLU 40 HG2 GLU 40 -6.979 15.155 -3.684
270 HG3 GLU 40 HG1 GLU 40 -5.393 15.531 -3.012
271 H ALA 41 HN ALA 41 -7.623 12.061 -0.813
272 HA ALA 41 HA ALA 41 -10.108 12.994 -1.790
273 HB1 ALA 41 HB1 ALA 41 -11.155 10.840 -2.325
274 HB2 ALA 41 HB2 ALA 41 -9.597 10.038 -2.123
275 HB3 ALA 41 HB3 ALA 41 -9.825 11.204 -3.425
276 H GLU 42 HN GLU 42 -8.935 10.099 -0.115
277 HA GLU 42 HA GLU 42 -9.882 11.074 2.428
278 HB2 GLU 42 HB2 GLU 42 -11.228 8.974 2.803
279 HB3 GLU 42 HB1 GLU 42 -11.927 10.124 1.673
280 HG2 GLU 42 HG2 GLU 42 -11.011 8.776 -0.189
281 HG3 GLU 42 HG1 GLU 42 -10.469 7.585 0.991
282 H ARG 43 HN ARG 43 -8.452 10.458 3.951
283 HA ARG 43 HA ARG 43 -6.645 8.239 3.275
284 HB2 ARG 43 HB2 ARG 43 -6.195 10.481 5.251
285 HB3 ARG 43 HB1 ARG 43 -5.038 9.233 4.813
286 HG2 ARG 43 HG2 ARG 43 -5.265 10.123 2.426
287 HG3 ARG 43 HG1 ARG 43 -6.031 11.528 3.167
288 HD2 ARG 43 HD2 ARG 43 -4.021 11.815 4.589
289 HD3 ARG 43 HD1 ARG 43 -3.261 10.478 3.726
290 HE ARG 43 HE ARG 43 -4.208 12.733 2.143
291 HH11 ARG 43 HH11 ARG 43 -1.490 11.018 3.561
292 HH12 ARG 43 HH12 ARG 43 -0.317 11.861 2.593
293 HH21 ARG 43 HH21 ARG 43 -2.665 13.822 0.873
294 HH22 ARG 43 HH22 ARG 43 -0.979 13.452 1.071
295 H THR 44 HN THR 44 -7.584 6.467 4.093
296 HA THR 44 HA THR 44 -8.064 6.450 6.992
297 HB THR 44 HB THR 44 -9.759 4.639 6.558
298 HG1 THR 44 HG1 THR 44 -9.029 4.160 4.393
299 HG21 THR 44 HG21 THR 44 -11.543 6.165 5.887
300 HG22 THR 44 HG22 THR 44 -10.348 7.311 5.276
301 HG23 THR 44 HG23 THR 44 -10.434 6.964 7.003
302 HA PRO 45 HA PRO 45 -4.622 3.545 6.014
303 HB2 PRO 45 HB2 PRO 45 -3.930 4.052 8.836
304 HB3 PRO 45 HB1 PRO 45 -2.937 4.231 7.383
305 HG2 PRO 45 HG2 PRO 45 -3.848 6.367 8.729
306 HG3 PRO 45 HG1 PRO 45 -3.705 6.369 6.960
307 HD2 PRO 45 HD2 PRO 45 -6.149 5.998 8.663
308 HD3 PRO 45 HD1 PRO 45 -5.954 6.945 7.169
309 H TRP 46 HN TRP 46 -7.079 3.531 8.433
310 HA TRP 46 HA TRP 46 -6.455 0.801 9.256
311 HB2 TRP 46 HB2 TRP 46 -8.351 1.104 10.855
312 HB3 TRP 46 HB1 TRP 46 -7.080 2.305 11.051
313 HD1 TRP 46 HD1 TRP 46 -10.720 1.950 9.931
314 HE1 TRP 46 HE1 TRP 46 -11.786 4.288 9.833
315 HE3 TRP 46 HE3 TRP 46 -6.532 4.787 10.701
316 HZ2 TRP 46 HZ2 TRP 46 -10.963 6.973 10.054
317 HZ3 TRP 46 HZ3 TRP 46 -6.765 7.238 10.743
318 HH2 TRP 46 HH2 TRP 46 -8.925 8.302 10.423
319 H ASN 47 HN ASN 47 -7.469 1.610 6.546
320 HA ASN 47 HA ASN 47 -9.635 -0.345 6.407
321 HB2 ASN 47 HB2 ASN 47 -10.708 1.898 6.514
322 HB3 ASN 47 HB1 ASN 47 -9.769 2.397 5.112
323 HD21 ASN 47 HD21 ASN 47 -11.248 -0.767 5.555
324 HD22 ASN 47 HD22 ASN 47 -12.383 -0.610 4.262
325 H CYS 48 HN CYS 48 -9.307 -1.731 4.734
326 HA CYS 48 HA CYS 48 -7.023 -1.190 3.023
327 HB2 CYS 48 HB2 CYS 48 -7.253 -3.395 4.153
328 HB3 CYS 48 HB1 CYS 48 -8.728 -3.689 3.237
329 H ILE 49 HN ILE 49 -7.225 -0.381 1.051
330 HA ILE 49 HA ILE 49 -9.814 -0.038 -0.122
331 HB ILE 49 HB ILE 49 -8.561 0.963 -2.060
332 HG12 ILE 49 HG12 ILE 49 -6.165 0.699 -0.238
333 HG13 ILE 49 HG11 ILE 49 -6.431 -0.300 -1.663
334 HG21 ILE 49 HG21 ILE 49 -8.027 2.097 0.682
335 HG22 ILE 49 HG22 ILE 49 -9.489 2.320 -0.272
336 HG23 ILE 49 HG23 ILE 49 -7.960 2.996 -0.830
337 HD11 ILE 49 HD11 ILE 49 -4.875 1.504 -2.129
338 HD12 ILE 49 HD12 ILE 49 -6.080 2.690 -1.630
339 HD13 ILE 49 HD13 ILE 49 -6.356 1.705 -3.065
340 H PHE 50 HN PHE 50 -7.259 -2.359 -0.497
341 HA PHE 50 HA PHE 50 -8.146 -3.206 -3.110
342 HB2 PHE 50 HB2 PHE 50 -5.951 -4.058 -1.278
343 HB3 PHE 50 HB1 PHE 50 -6.520 -5.208 -2.491
344 HD1 PHE 50 HD2 PHE 50 -5.046 -1.868 -1.989
345 HD2 PHE 50 HD1 PHE 50 -6.007 -4.922 -4.787
346 HE1 PHE 50 HE2 PHE 50 -3.648 -0.756 -3.675
347 HE2 PHE 50 HE1 PHE 50 -4.605 -3.820 -6.476
348 HZ PHE 50 HZ PHE 50 -3.534 -1.685 -5.979
349 H CYS 51 HN CYS 51 -8.712 -4.174 0.201
350 HA CYS 51 HA CYS 51 -9.791 -6.727 -0.421
351 HB2 CYS 51 HB2 CYS 51 -9.726 -4.981 1.985
352 HB3 CYS 51 HB1 CYS 51 -10.955 -6.238 1.933
353 H ARG 52 HN ARG 52 -11.351 -3.582 0.280
354 HA ARG 52 HA ARG 52 -13.884 -4.744 -0.542
355 HB2 ARG 52 HB2 ARG 52 -14.876 -2.610 0.227
356 HB3 ARG 52 HB1 ARG 52 -13.978 -3.455 1.475
357 HG2 ARG 52 HG2 ARG 52 -12.103 -1.949 1.190
358 HG3 ARG 52 HG1 ARG 52 -12.945 -1.122 -0.125
359 HD2 ARG 52 HD2 ARG 52 -13.094 0.097 2.007
360 HD3 ARG 52 HD1 ARG 52 -14.677 -0.389 1.401
361 HE ARG 52 HE ARG 52 -13.564 -2.282 3.245
362 HH11 ARG 52 HH11 ARG 52 -15.309 0.738 2.996
363 HH12 ARG 52 HH12 ARG 52 -16.091 0.568 4.534
364 HH21 ARG 52 HH21 ARG 52 -14.575 -2.504 5.291
365 HH22 ARG 52 HH22 ARG 52 -15.657 -1.265 5.846
366 H MET 53 HN MET 53 -11.397 -3.508 -2.130
367 HA MET 53 HA MET 53 -11.025 -2.637 -4.175
368 HB2 MET 53 HB2 MET 53 -13.801 -3.726 -4.597
369 HB3 MET 53 HB1 MET 53 -12.826 -3.052 -5.895
370 HG2 MET 53 HG2 MET 53 -12.114 -5.424 -4.186
371 HG3 MET 53 HG1 MET 53 -12.681 -5.472 -5.854
372 HE1 MET 53 HE1 MET 53 -11.284 -4.433 -7.902
373 HE2 MET 53 HE2 MET 53 -9.680 -3.725 -7.728
374 HE3 MET 53 HE3 MET 53 -11.083 -2.904 -7.046
375 H LYS 54 HN LYS 54 -11.485 -0.648 -2.499
376 HA LYS 54 HA LYS 54 -13.489 1.173 -3.340
377 HB2 LYS 54 HB2 LYS 54 -12.343 1.467 -1.189
378 HB3 LYS 54 HB1 LYS 54 -10.815 1.719 -2.022
379 HG2 LYS 54 HG2 LYS 54 -11.751 3.753 -3.071
380 HG3 LYS 54 HG1 LYS 54 -13.231 3.523 -2.143
381 HD2 LYS 54 HD2 LYS 54 -10.504 3.843 -0.901
382 HD3 LYS 54 HD1 LYS 54 -11.623 5.178 -1.169
383 HE2 LYS 54 HE2 LYS 54 -12.362 2.726 0.404
384 HE3 LYS 54 HE1 LYS 54 -11.621 4.141 1.146
385 HZ1 LYS 54 HZ1 LYS 54 -14.138 4.245 -0.423
386 HZ2 LYS 54 HZ2 LYS 54 -13.472 5.471 0.544
387 HZ3 LYS 54 HZ3 LYS 54 -14.090 4.069 1.256
388 H GLU 55 HN GLU 55 -13.551 1.362 -5.522
389 HA GLU 55 HA GLU 55 -11.252 2.693 -6.770
390 HB2 GLU 55 HB2 GLU 55 -11.350 0.302 -7.446
391 HB3 GLU 55 HB1 GLU 55 -12.965 0.574 -8.081
392 HG2 GLU 55 HG2 GLU 55 -11.324 0.580 -9.859
393 HG3 GLU 55 HG1 GLU 55 -12.064 2.172 -9.689
394 H SER 56 HN SER 56 -11.960 4.695 -7.105
395 HA SER 56 HA SER 56 -14.512 5.037 -8.489
396 HB2 SER 56 HB2 SER 56 -14.899 7.083 -7.033
397 HB3 SER 56 HB1 SER 56 -15.087 5.526 -6.227
398 HG SER 56 HG SER 56 -12.665 6.997 -6.201
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 4.913 -12.189 -4.760
2 H2 GLY 1 HT2 GLY 1 4.052 -11.268 -5.884
3 H3 GLY 1 HT3 GLY 1 3.399 -12.710 -5.298
4 HA2 GLY 1 HA1 GLY 1 3.901 -10.252 -3.720
5 HA3 GLY 1 HA2 GLY 1 2.329 -10.833 -4.250
6 H ALA 2 HN ALA 2 3.968 -10.481 -1.588
7 HA ALA 2 HA ALA 2 3.937 -11.388 0.486
8 HB1 ALA 2 HB1 ALA 2 1.711 -13.113 -0.593
9 HB2 ALA 2 HB2 ALA 2 1.517 -11.514 0.123
10 HB3 ALA 2 HB3 ALA 2 2.094 -12.858 1.109
11 H MET 3 HN MET 3 5.856 -12.340 -1.235
12 HA MET 3 HA MET 3 6.450 -14.859 0.065
13 HB2 MET 3 HB2 MET 3 5.200 -15.431 -2.050
14 HB3 MET 3 HB1 MET 3 6.504 -14.680 -2.957
15 HG2 MET 3 HG2 MET 3 8.075 -16.319 -2.131
16 HG3 MET 3 HG1 MET 3 6.833 -17.032 -1.103
17 HE1 MET 3 HE1 MET 3 4.841 -18.495 -1.960
18 HE2 MET 3 HE2 MET 3 4.405 -18.659 -3.660
19 HE3 MET 3 HE3 MET 3 4.268 -17.094 -2.862
20 H GLY 4 HN GLY 4 7.332 -11.926 -0.415
21 HA2 GLY 4 HA2 GLY 4 10.123 -12.492 -1.186
22 HA3 GLY 4 HA1 GLY 4 9.346 -10.923 -1.336
23 H MET 5 HN MET 5 11.210 -10.117 -0.149
24 HA MET 5 HA MET 5 10.908 -10.541 2.748
25 HB2 MET 5 HB2 MET 5 13.465 -10.112 1.190
26 HB3 MET 5 HB1 MET 5 13.360 -10.066 2.944
27 HG2 MET 5 HG2 MET 5 12.635 -12.392 2.974
28 HG3 MET 5 HG1 MET 5 12.703 -12.445 1.214
29 HE1 MET 5 HE1 MET 5 14.158 -14.560 3.066
30 HE2 MET 5 HE2 MET 5 15.732 -14.690 2.282
31 HE3 MET 5 HE3 MET 5 14.267 -14.597 1.307
32 H ARG 6 HN ARG 6 9.355 -8.730 2.173
33 HA ARG 6 HA ARG 6 8.720 -6.566 2.279
34 HB2 ARG 6 HB2 ARG 6 11.380 -6.374 3.668
35 HB3 ARG 6 HB1 ARG 6 10.305 -4.995 3.504
36 HG2 ARG 6 HG2 ARG 6 8.566 -6.220 4.731
37 HG3 ARG 6 HG1 ARG 6 9.674 -7.582 4.914
38 HD2 ARG 6 HD2 ARG 6 11.194 -6.233 6.205
39 HD3 ARG 6 HD1 ARG 6 10.223 -4.794 5.913
40 HE ARG 6 HE ARG 6 8.501 -6.507 7.136
41 HH11 ARG 6 HH11 ARG 6 11.667 -5.243 7.922
42 HH12 ARG 6 HH12 ARG 6 11.409 -5.298 9.635
43 HH21 ARG 6 HH21 ARG 6 8.150 -6.566 9.403
44 HH22 ARG 6 HH22 ARG 6 9.408 -6.050 10.477
45 H ASN 7 HN ASN 7 8.570 -6.072 0.153
46 HA ASN 7 HA ASN 7 10.908 -5.372 -1.405
47 HB2 ASN 7 HB2 ASN 7 8.873 -6.639 -2.283
48 HB3 ASN 7 HB1 ASN 7 8.016 -5.105 -2.238
49 HD21 ASN 7 HD21 ASN 7 10.649 -6.866 -3.723
50 HD22 ASN 7 HD22 ASN 7 10.781 -5.870 -5.128
51 H LEU 8 HN LEU 8 9.477 -3.795 0.921
52 HA LEU 8 HA LEU 8 8.784 -1.289 -0.181
53 HB2 LEU 8 HB2 LEU 8 8.901 -0.465 2.150
54 HB3 LEU 8 HB1 LEU 8 7.903 -1.890 1.949
55 HG LEU 8 HG LEU 8 10.146 -3.119 2.675
56 HD11 LEU 8 HD11 LEU 8 10.370 -0.433 4.025
57 HD12 LEU 8 HD12 LEU 8 11.467 -1.058 2.796
58 HD13 LEU 8 HD13 LEU 8 11.352 -1.859 4.364
59 HD21 LEU 8 HD21 LEU 8 8.244 -1.744 4.566
60 HD22 LEU 8 HD22 LEU 8 9.289 -3.104 4.971
61 HD23 LEU 8 HD23 LEU 8 7.997 -3.306 3.789
62 H ASP 9 HN ASP 9 11.787 -2.745 0.233
63 HA ASP 9 HA ASP 9 13.364 -0.394 0.642
64 HB2 ASP 9 HB2 ASP 9 14.284 -2.638 1.082
65 HB3 ASP 9 HB1 ASP 9 14.140 -3.033 -0.627
66 H GLU 10 HN GLU 10 12.079 -2.115 -2.088
67 HA GLU 10 HA GLU 10 13.221 -0.225 -3.979
68 HB2 GLU 10 HB2 GLU 10 11.455 -2.635 -4.415
69 HB3 GLU 10 HB1 GLU 10 12.182 -1.664 -5.689
70 HG2 GLU 10 HG2 GLU 10 14.401 -2.275 -4.926
71 HG3 GLU 10 HG1 GLU 10 13.705 -3.202 -3.599
72 H CYS 11 HN CYS 11 10.977 0.132 -1.906
73 HA CYS 11 HA CYS 11 8.961 1.324 -3.679
74 HB2 CYS 11 HB2 CYS 11 8.139 -0.292 -1.991
75 HB3 CYS 11 HB1 CYS 11 8.822 0.709 -0.721
76 H GLU 12 HN GLU 12 9.948 3.224 -4.187
77 HA GLU 12 HA GLU 12 11.558 4.712 -2.422
78 HB2 GLU 12 HB2 GLU 12 10.139 5.734 -4.880
79 HB3 GLU 12 HB1 GLU 12 11.601 6.386 -4.146
80 HG2 GLU 12 HG2 GLU 12 12.759 4.260 -4.675
81 HG3 GLU 12 HG1 GLU 12 11.308 3.722 -5.517
82 H VAL 13 HN VAL 13 8.148 4.730 -3.113
83 HA VAL 13 HA VAL 13 7.604 7.239 -1.929
84 HB VAL 13 HB VAL 13 6.046 6.317 -3.516
85 HG11 VAL 13 HG11 VAL 13 5.546 4.113 -1.535
86 HG12 VAL 13 HG12 VAL 13 6.397 3.952 -3.071
87 HG13 VAL 13 HG13 VAL 13 4.685 4.367 -3.052
88 HG21 VAL 13 HG21 VAL 13 4.748 6.344 -0.804
89 HG22 VAL 13 HG22 VAL 13 3.973 6.674 -2.354
90 HG23 VAL 13 HG23 VAL 13 5.186 7.785 -1.720
91 H CYS 14 HN CYS 14 8.024 4.015 -0.650
92 HA CYS 14 HA CYS 14 6.876 4.521 1.911
93 HB2 CYS 14 HB2 CYS 14 8.457 2.388 0.689
94 HB3 CYS 14 HB1 CYS 14 8.867 2.663 2.376
95 H ARG 15 HN ARG 15 9.961 5.114 0.440
96 HA ARG 15 HA ARG 15 11.363 5.772 2.834
97 HB2 ARG 15 HB2 ARG 15 11.911 6.418 -0.060
98 HB3 ARG 15 HB1 ARG 15 13.003 6.836 1.254
99 HG2 ARG 15 HG2 ARG 15 13.357 4.526 1.778
100 HG3 ARG 15 HG1 ARG 15 12.121 4.032 0.620
101 HD2 ARG 15 HD2 ARG 15 13.445 4.811 -1.214
102 HD3 ARG 15 HD1 ARG 15 14.619 5.537 -0.121
103 HE ARG 15 HE ARG 15 14.573 2.865 0.525
104 HH11 ARG 15 HH11 ARG 15 15.189 4.721 -2.381
105 HH12 ARG 15 HH12 ARG 15 16.371 3.609 -2.996
106 HH21 ARG 15 HH21 ARG 15 16.140 1.401 -0.280
107 HH22 ARG 15 HH22 ARG 15 16.914 1.721 -1.798
108 H ASP 16 HN ASP 16 9.472 7.555 0.500
109 HA ASP 16 HA ASP 16 9.999 10.116 1.687
110 HB2 ASP 16 HB2 ASP 16 8.075 9.135 -0.401
111 HB3 ASP 16 HB1 ASP 16 7.929 10.761 0.258
112 H GLY 17 HN GLY 17 8.434 7.580 2.913
113 HA2 GLY 17 HA2 GLY 17 7.031 7.376 4.729
114 HA3 GLY 17 HA1 GLY 17 7.056 9.132 4.867
115 H GLY 18 HN GLY 18 6.133 7.528 1.928
116 HA2 GLY 18 HA2 GLY 18 3.734 8.931 1.639
117 HA3 GLY 18 HA1 GLY 18 4.176 7.487 0.750
118 H GLU 19 HN GLU 19 1.582 8.158 1.546
119 HA GLU 19 HA GLU 19 0.901 6.674 3.912
120 HB2 GLU 19 HB2 GLU 19 -0.762 8.051 1.801
121 HB3 GLU 19 HB1 GLU 19 -1.469 7.169 3.146
122 HG2 GLU 19 HG2 GLU 19 -1.455 9.527 3.625
123 HG3 GLU 19 HG1 GLU 19 -0.354 8.693 4.716
124 H LEU 20 HN LEU 20 -0.498 4.847 3.942
125 HA LEU 20 HA LEU 20 -0.416 3.200 1.506
126 HB2 LEU 20 HB2 LEU 20 1.407 2.552 3.018
127 HB3 LEU 20 HB1 LEU 20 0.258 2.318 4.317
128 HG LEU 20 HG LEU 20 -0.795 0.486 2.961
129 HD11 LEU 20 HD11 LEU 20 1.657 0.855 1.239
130 HD12 LEU 20 HD12 LEU 20 -0.004 1.183 0.750
131 HD13 LEU 20 HD13 LEU 20 0.499 -0.466 1.122
132 HD21 LEU 20 HD21 LEU 20 0.778 0.008 4.762
133 HD22 LEU 20 HD22 LEU 20 2.128 0.175 3.637
134 HD23 LEU 20 HD23 LEU 20 0.971 -1.139 3.435
135 H PHE 21 HN PHE 21 -2.351 2.245 1.043
136 HA PHE 21 HA PHE 21 -4.442 2.491 3.119
137 HB2 PHE 21 HB2 PHE 21 -4.758 2.648 0.109
138 HB3 PHE 21 HB1 PHE 21 -6.070 2.765 1.280
139 HD1 PHE 21 HD1 PHE 21 -6.025 4.696 2.939
140 HD2 PHE 21 HD2 PHE 21 -3.538 4.555 -0.524
141 HE1 PHE 21 HE1 PHE 21 -5.678 7.122 3.086
142 HE2 PHE 21 HE2 PHE 21 -3.198 6.983 -0.374
143 HZ PHE 21 HZ PHE 21 -4.267 8.268 1.430
144 H CYS 22 HN CYS 22 -2.839 0.194 2.961
145 HA CYS 22 HA CYS 22 -4.874 -1.778 2.230
146 HB2 CYS 22 HB2 CYS 22 -1.997 -1.778 1.336
147 HB3 CYS 22 HB1 CYS 22 -2.932 -3.269 1.432
148 H CYS 23 HN CYS 23 -4.605 -3.837 3.239
149 HA CYS 23 HA CYS 23 -3.580 -3.646 5.936
150 HB2 CYS 23 HB2 CYS 23 -4.707 -5.724 6.328
151 HB3 CYS 23 HB1 CYS 23 -5.775 -4.779 5.289
152 H ASP 24 HN ASP 24 -2.334 -5.707 6.713
153 HA ASP 24 HA ASP 24 0.189 -5.673 5.564
154 HB2 ASP 24 HB2 ASP 24 -0.238 -6.460 7.857
155 HB3 ASP 24 HB1 ASP 24 -1.032 -7.895 7.216
156 H THR 25 HN THR 25 -2.432 -8.006 5.068
157 HA THR 25 HA THR 25 -0.969 -9.859 3.562
158 HB THR 25 HB THR 25 -3.936 -9.333 3.434
159 HG1 THR 25 HG1 THR 25 -2.288 -10.483 5.384
160 HG21 THR 25 HG21 THR 25 -3.118 -10.851 1.693
161 HG22 THR 25 HG22 THR 25 -4.081 -11.722 2.886
162 HG23 THR 25 HG23 THR 25 -2.321 -11.836 2.919
163 H CYS 26 HN CYS 26 -3.167 -7.244 2.458
164 HA CYS 26 HA CYS 26 -2.659 -7.814 -0.296
165 HB2 CYS 26 HB2 CYS 26 -3.835 -5.314 0.927
166 HB3 CYS 26 HB1 CYS 26 -3.875 -5.734 -0.777
167 H SER 27 HN SER 27 -1.231 -5.641 2.072
168 HA SER 27 HA SER 27 0.199 -4.005 0.275
169 HB2 SER 27 HB2 SER 27 -0.102 -3.409 2.644
170 HB3 SER 27 HB1 SER 27 0.892 -4.781 3.123
171 HG SER 27 HG SER 27 2.485 -3.425 2.964
172 H ARG 28 HN ARG 28 0.805 -7.194 1.578
173 HA ARG 28 HA ARG 28 3.522 -7.346 0.753
174 HB2 ARG 28 HB2 ARG 28 1.479 -9.480 1.361
175 HB3 ARG 28 HB1 ARG 28 3.153 -9.828 0.975
176 HG2 ARG 28 HG2 ARG 28 3.865 -8.573 2.951
177 HG3 ARG 28 HG1 ARG 28 2.173 -8.255 3.347
178 HD2 ARG 28 HD2 ARG 28 1.803 -10.723 3.399
179 HD3 ARG 28 HD1 ARG 28 3.539 -10.935 3.196
180 HE ARG 28 HE ARG 28 2.329 -9.560 5.518
181 HH11 ARG 28 HH11 ARG 28 4.705 -11.748 4.123
182 HH12 ARG 28 HH12 ARG 28 5.418 -12.142 5.655
183 HH21 ARG 28 HH21 ARG 28 3.288 -10.058 7.510
184 HH22 ARG 28 HH22 ARG 28 4.619 -11.172 7.582
185 H VAL 29 HN VAL 29 0.469 -7.829 -0.842
186 HA VAL 29 HA VAL 29 1.715 -9.287 -3.032
187 HB VAL 29 HB VAL 29 -1.201 -8.593 -2.682
188 HG11 VAL 29 HG11 VAL 29 -1.581 -10.379 -4.308
189 HG12 VAL 29 HG12 VAL 29 0.160 -10.610 -4.462
190 HG13 VAL 29 HG13 VAL 29 -0.577 -9.097 -4.988
191 HG21 VAL 29 HG21 VAL 29 -0.511 -9.974 -0.832
192 HG22 VAL 29 HG22 VAL 29 0.298 -11.094 -1.927
193 HG23 VAL 29 HG23 VAL 29 -1.458 -10.945 -1.958
194 H PHE 30 HN PHE 30 -0.075 -6.257 -2.497
195 HA PHE 30 HA PHE 30 0.782 -5.396 -5.190
196 HB2 PHE 30 HB2 PHE 30 -1.787 -4.608 -3.790
197 HB3 PHE 30 HB1 PHE 30 -1.276 -4.096 -5.392
198 HD1 PHE 30 HD1 PHE 30 -0.865 -6.060 -7.108
199 HD2 PHE 30 HD2 PHE 30 -3.241 -6.355 -3.583
200 HE1 PHE 30 HE1 PHE 30 -2.066 -7.973 -8.078
201 HE2 PHE 30 HE2 PHE 30 -4.442 -8.268 -4.549
202 HZ PHE 30 HZ PHE 30 -3.854 -9.081 -6.801
203 H HIS 31 HN HIS 31 2.422 -4.941 -3.095
204 HA HIS 31 HA HIS 31 1.978 -2.881 -1.345
205 HB2 HIS 31 HB2 HIS 31 3.958 -4.418 -1.403
206 HB3 HIS 31 HB1 HIS 31 4.620 -3.427 -2.700
207 HD1 HIS 31 HD1 HIS 31 3.190 -2.587 0.758
208 HD2 HIS 31 HD2 HIS 31 6.468 -1.804 -1.679
209 HE1 HIS 31 HE1 HIS 31 4.686 -0.993 2.056
210 H GLU 32 HN GLU 32 3.286 -2.596 -4.625
211 HA GLU 32 HA GLU 32 3.895 0.172 -4.419
212 HB2 GLU 32 HB2 GLU 32 3.340 -1.373 -6.947
213 HB3 GLU 32 HB1 GLU 32 4.338 0.063 -6.769
214 HG2 GLU 32 HG2 GLU 32 6.063 -1.118 -5.745
215 HG3 GLU 32 HG1 GLU 32 5.019 -2.486 -5.356
216 H ASP 33 HN ASP 33 1.234 -1.668 -5.791
217 HA ASP 33 HA ASP 33 -0.202 0.512 -6.875
218 HB2 ASP 33 HB2 ASP 33 -1.163 -2.232 -6.026
219 HB3 ASP 33 HB1 ASP 33 -2.075 -1.109 -7.025
220 H CYS 34 HN CYS 34 0.044 -0.892 -3.736
221 HA CYS 34 HA CYS 34 -2.359 0.258 -2.680
222 HB2 CYS 34 HB2 CYS 34 -0.015 -1.215 -1.502
223 HB3 CYS 34 HB1 CYS 34 -1.206 -0.440 -0.460
224 H HIS 35 HN HIS 35 0.636 1.554 -3.453
225 HA HIS 35 HA HIS 35 0.337 3.721 -1.487
226 HB2 HIS 35 HB2 HIS 35 2.634 2.967 -3.295
227 HB3 HIS 35 HB1 HIS 35 2.575 4.483 -2.404
228 HD1 HIS 35 HD1 HIS 35 2.939 4.339 0.194
229 HD2 HIS 35 HD2 HIS 35 3.139 0.708 -1.812
230 HE1 HIS 35 HE1 HIS 35 4.043 2.705 1.782
231 H ILE 36 HN ILE 36 0.468 3.037 -4.944
232 HA ILE 36 HA ILE 36 -0.603 5.701 -5.464
233 HB ILE 36 HB ILE 36 0.919 5.745 -7.558
234 HG12 ILE 36 HG12 ILE 36 3.251 4.767 -6.822
235 HG13 ILE 36 HG11 ILE 36 2.268 3.671 -5.865
236 HG21 ILE 36 HG21 ILE 36 1.985 6.301 -4.797
237 HG22 ILE 36 HG22 ILE 36 1.060 7.396 -5.826
238 HG23 ILE 36 HG23 ILE 36 2.690 6.916 -6.292
239 HD11 ILE 36 HD11 ILE 36 2.167 4.008 -8.854
240 HD12 ILE 36 HD12 ILE 36 1.120 2.944 -7.913
241 HD13 ILE 36 HD13 ILE 36 2.860 2.651 -7.967
242 HA PRO 37 HA PRO 37 -1.420 6.858 -6.871
243 HB2 PRO 37 HB2 PRO 37 -4.221 6.943 -7.648
244 HB3 PRO 37 HB1 PRO 37 -2.840 7.731 -8.426
245 HG2 PRO 37 HG2 PRO 37 -4.241 5.682 -9.561
246 HG3 PRO 37 HG1 PRO 37 -2.530 6.006 -9.903
247 HD2 PRO 37 HD2 PRO 37 -3.748 3.957 -8.080
248 HD3 PRO 37 HD1 PRO 37 -2.355 3.807 -9.178
249 HA PRO 38 HA PRO 38 -3.360 6.227 -2.901
250 HB2 PRO 38 HB2 PRO 38 -3.170 8.772 -1.965
251 HB3 PRO 38 HB1 PRO 38 -1.799 7.657 -2.006
252 HG2 PRO 38 HG2 PRO 38 -2.510 9.866 -3.898
253 HG3 PRO 38 HG1 PRO 38 -0.917 9.399 -3.271
254 HD2 PRO 38 HD2 PRO 38 -1.791 8.704 -5.758
255 HD3 PRO 38 HD1 PRO 38 -0.669 7.698 -4.815
256 H VAL 39 HN VAL 39 -5.477 6.175 -2.408
257 HA VAL 39 HA VAL 39 -7.363 7.545 -4.035
258 HB VAL 39 HB VAL 39 -9.074 6.579 -2.471
259 HG11 VAL 39 HG11 VAL 39 -7.035 4.682 -3.624
260 HG12 VAL 39 HG12 VAL 39 -8.417 5.382 -4.468
261 HG13 VAL 39 HG13 VAL 39 -8.674 4.244 -3.145
262 HG21 VAL 39 HG21 VAL 39 -6.665 5.320 -1.168
263 HG22 VAL 39 HG22 VAL 39 -8.351 4.938 -0.819
264 HG23 VAL 39 HG23 VAL 39 -7.713 6.539 -0.445
265 H GLU 40 HN GLU 40 -8.194 9.499 -3.783
266 HA GLU 40 HA GLU 40 -7.328 11.075 -1.511
267 HB2 GLU 40 HB2 GLU 40 -8.881 11.883 -3.976
268 HB3 GLU 40 HB1 GLU 40 -8.210 12.983 -2.785
269 HG2 GLU 40 HG2 GLU 40 -5.976 12.381 -3.388
270 HG3 GLU 40 HG1 GLU 40 -6.561 11.094 -4.445
271 H ALA 41 HN ALA 41 -10.307 9.764 -2.800
272 HA ALA 41 HA ALA 41 -11.921 11.298 -0.938
273 HB1 ALA 41 HB1 ALA 41 -12.762 9.224 -2.959
274 HB2 ALA 41 HB2 ALA 41 -12.753 10.968 -3.211
275 HB3 ALA 41 HB3 ALA 41 -13.841 10.256 -2.021
276 H GLU 42 HN GLU 42 -10.976 7.958 -1.519
277 HA GLU 42 HA GLU 42 -12.352 7.142 0.936
278 HB2 GLU 42 HB2 GLU 42 -11.144 5.476 -1.280
279 HB3 GLU 42 HB1 GLU 42 -12.003 4.841 0.115
280 HG2 GLU 42 HG2 GLU 42 -14.041 5.943 -0.603
281 HG3 GLU 42 HG1 GLU 42 -13.188 6.663 -1.969
282 H ARG 43 HN ARG 43 -10.055 8.692 1.170
283 HA ARG 43 HA ARG 43 -7.770 7.050 1.659
284 HB2 ARG 43 HB2 ARG 43 -6.856 9.145 2.728
285 HB3 ARG 43 HB1 ARG 43 -7.314 9.282 1.038
286 HG2 ARG 43 HG2 ARG 43 -9.366 10.405 1.648
287 HG3 ARG 43 HG1 ARG 43 -8.993 10.204 3.362
288 HD2 ARG 43 HD2 ARG 43 -6.972 11.568 3.068
289 HD3 ARG 43 HD1 ARG 43 -7.365 11.768 1.362
290 HE ARG 43 HE ARG 43 -9.567 12.649 2.799
291 HH11 ARG 43 HH11 ARG 43 -6.199 13.530 2.409
292 HH12 ARG 43 HH12 ARG 43 -6.464 15.210 2.744
293 HH21 ARG 43 HH21 ARG 43 -9.920 14.872 3.250
294 HH22 ARG 43 HH22 ARG 43 -8.580 15.977 3.217
295 H THR 44 HN THR 44 -8.956 5.517 2.988
296 HA THR 44 HA THR 44 -9.105 6.381 5.795
297 HB THR 44 HB THR 44 -10.602 4.368 6.089
298 HG1 THR 44 HG1 THR 44 -9.909 3.411 4.018
299 HG21 THR 44 HG21 THR 44 -11.524 6.622 5.949
300 HG22 THR 44 HG22 THR 44 -12.578 5.482 5.114
301 HG23 THR 44 HG23 THR 44 -11.511 6.536 4.188
302 HA PRO 45 HA PRO 45 -5.411 3.747 5.778
303 HB2 PRO 45 HB2 PRO 45 -5.162 4.725 8.547
304 HB3 PRO 45 HB1 PRO 45 -4.018 4.842 7.205
305 HG2 PRO 45 HG2 PRO 45 -5.350 6.993 8.092
306 HG3 PRO 45 HG1 PRO 45 -4.986 6.767 6.371
307 HD2 PRO 45 HD2 PRO 45 -7.560 6.295 7.839
308 HD3 PRO 45 HD1 PRO 45 -7.292 7.043 6.245
309 H TRP 46 HN TRP 46 -8.048 3.770 8.068
310 HA TRP 46 HA TRP 46 -7.162 1.295 9.312
311 HB2 TRP 46 HB2 TRP 46 -9.129 1.536 10.762
312 HB3 TRP 46 HB1 TRP 46 -8.188 3.022 10.733
313 HD1 TRP 46 HD1 TRP 46 -11.565 1.586 9.685
314 HE1 TRP 46 HE1 TRP 46 -13.144 3.519 9.072
315 HE3 TRP 46 HE3 TRP 46 -8.217 5.451 9.822
316 HZ2 TRP 46 HZ2 TRP 46 -13.000 6.303 8.701
317 HZ3 TRP 46 HZ3 TRP 46 -9.028 7.723 9.321
318 HH2 TRP 46 HH2 TRP 46 -11.363 8.137 8.771
319 H ASN 47 HN ASN 47 -8.402 1.853 6.445
320 HA ASN 47 HA ASN 47 -10.002 -0.612 6.455
321 HB2 ASN 47 HB2 ASN 47 -11.544 1.320 6.288
322 HB3 ASN 47 HB1 ASN 47 -10.654 1.904 4.889
323 HD21 ASN 47 HD21 ASN 47 -12.893 -0.493 6.063
324 HD22 ASN 47 HD22 ASN 47 -13.366 -1.094 4.508
325 H CYS 48 HN CYS 48 -9.520 -2.004 4.788
326 HA CYS 48 HA CYS 48 -7.288 -1.188 3.084
327 HB2 CYS 48 HB2 CYS 48 -7.117 -3.296 4.397
328 HB3 CYS 48 HB1 CYS 48 -8.500 -3.935 3.518
329 H ILE 49 HN ILE 49 -7.645 -0.601 1.032
330 HA ILE 49 HA ILE 49 -10.319 -0.755 -0.010
331 HB ILE 49 HB ILE 49 -9.372 0.412 -2.020
332 HG12 ILE 49 HG12 ILE 49 -6.873 0.650 -0.343
333 HG13 ILE 49 HG11 ILE 49 -7.029 -0.448 -1.711
334 HG21 ILE 49 HG21 ILE 49 -8.919 1.677 0.681
335 HG22 ILE 49 HG22 ILE 49 -10.426 1.658 -0.234
336 HG23 ILE 49 HG23 ILE 49 -9.034 2.554 -0.843
337 HD11 ILE 49 HD11 ILE 49 -7.264 2.552 -1.827
338 HD12 ILE 49 HD12 ILE 49 -7.376 1.447 -3.197
339 HD13 ILE 49 HD13 ILE 49 -5.858 1.606 -2.314
340 H PHE 50 HN PHE 50 -7.427 -2.586 -0.388
341 HA PHE 50 HA PHE 50 -8.242 -3.735 -2.907
342 HB2 PHE 50 HB2 PHE 50 -5.859 -4.061 -1.157
343 HB3 PHE 50 HB1 PHE 50 -6.289 -5.408 -2.215
344 HD1 PHE 50 HD2 PHE 50 -5.454 -1.807 -2.165
345 HD2 PHE 50 HD1 PHE 50 -5.861 -5.316 -4.534
346 HE1 PHE 50 HE2 PHE 50 -4.363 -0.660 -4.047
347 HE2 PHE 50 HE1 PHE 50 -4.767 -4.178 -6.418
348 HZ PHE 50 HZ PHE 50 -4.100 -1.841 -6.221
349 H CYS 51 HN CYS 51 -8.545 -4.491 0.475
350 HA CYS 51 HA CYS 51 -9.273 -7.203 0.231
351 HB2 CYS 51 HB2 CYS 51 -9.557 -5.105 2.303
352 HB3 CYS 51 HB1 CYS 51 -10.658 -6.469 2.420
353 H ARG 52 HN ARG 52 -11.066 -4.252 -0.316
354 HA ARG 52 HA ARG 52 -13.515 -5.814 -0.661
355 HB2 ARG 52 HB2 ARG 52 -14.724 -3.729 -0.734
356 HB3 ARG 52 HB1 ARG 52 -13.667 -3.724 0.667
357 HG2 ARG 52 HG2 ARG 52 -12.145 -2.227 -0.384
358 HG3 ARG 52 HG1 ARG 52 -12.968 -2.390 -1.936
359 HD2 ARG 52 HD2 ARG 52 -14.136 -1.179 0.568
360 HD3 ARG 52 HD1 ARG 52 -13.548 -0.286 -0.833
361 HE ARG 52 HE ARG 52 -15.498 -2.142 -1.661
362 HH11 ARG 52 HH11 ARG 52 -15.188 0.864 0.094
363 HH12 ARG 52 HH12 ARG 52 -16.800 1.393 -0.271
364 HH21 ARG 52 HH21 ARG 52 -17.613 -1.455 -2.158
365 HH22 ARG 52 HH22 ARG 52 -18.183 0.069 -1.555
366 H MET 53 HN MET 53 -10.935 -5.148 -2.412
367 HA MET 53 HA MET 53 -12.288 -4.436 -4.893
368 HB2 MET 53 HB2 MET 53 -10.197 -3.300 -4.471
369 HB3 MET 53 HB1 MET 53 -9.372 -4.829 -4.211
370 HG2 MET 53 HG2 MET 53 -8.872 -3.801 -6.391
371 HG3 MET 53 HG1 MET 53 -9.582 -5.408 -6.524
372 HE1 MET 53 HE1 MET 53 -11.682 -2.259 -5.559
373 HE2 MET 53 HE2 MET 53 -12.118 -1.600 -7.135
374 HE3 MET 53 HE3 MET 53 -10.441 -1.544 -6.590
375 H LYS 54 HN LYS 54 -10.481 -7.094 -3.446
376 HA LYS 54 HA LYS 54 -10.174 -9.258 -4.014
377 HB2 LYS 54 HB2 LYS 54 -12.623 -9.327 -3.821
378 HB3 LYS 54 HB1 LYS 54 -12.771 -8.861 -5.507
379 HG2 LYS 54 HG2 LYS 54 -11.695 -10.933 -6.193
380 HG3 LYS 54 HG1 LYS 54 -11.517 -11.410 -4.502
381 HD2 LYS 54 HD2 LYS 54 -13.938 -11.418 -4.240
382 HD3 LYS 54 HD1 LYS 54 -14.132 -10.896 -5.914
383 HE2 LYS 54 HE2 LYS 54 -12.866 -13.475 -5.000
384 HE3 LYS 54 HE1 LYS 54 -14.485 -13.303 -5.676
385 HZ1 LYS 54 HZ1 LYS 54 -12.873 -14.042 -7.330
386 HZ2 LYS 54 HZ2 LYS 54 -11.964 -12.639 -7.097
387 HZ3 LYS 54 HZ3 LYS 54 -13.522 -12.538 -7.741
388 H GLU 55 HN GLU 55 -8.313 -8.974 -5.198
389 HA GLU 55 HA GLU 55 -8.639 -9.259 -8.089
390 HB2 GLU 55 HB2 GLU 55 -8.199 -6.874 -7.649
391 HB3 GLU 55 HB1 GLU 55 -6.729 -7.310 -6.790
392 HG2 GLU 55 HG2 GLU 55 -6.261 -6.522 -9.045
393 HG3 GLU 55 HG1 GLU 55 -5.773 -8.204 -8.832
394 H SER 56 HN SER 56 -7.660 -11.055 -8.646
395 HA SER 56 HA SER 56 -4.974 -11.620 -7.753
396 HB2 SER 56 HB2 SER 56 -6.436 -12.679 -6.021
397 HB3 SER 56 HB1 SER 56 -7.181 -13.646 -7.290
398 HG SER 56 HG SER 56 -5.599 -14.980 -7.022
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 4.531 -13.174 12.393
2 H2 GLY 1 HT2 GLY 1 3.821 -12.519 13.777
3 H3 GLY 1 HT3 GLY 1 4.806 -11.557 12.794
4 HA2 GLY 1 HA1 GLY 1 2.194 -12.722 12.018
5 HA3 GLY 1 HA2 GLY 1 2.476 -11.040 12.439
6 H ALA 2 HN ALA 2 2.894 -9.681 10.824
7 HA ALA 2 HA ALA 2 4.052 -10.751 8.347
8 HB1 ALA 2 HB1 ALA 2 1.581 -9.022 8.493
9 HB2 ALA 2 HB2 ALA 2 1.645 -10.717 8.006
10 HB3 ALA 2 HB3 ALA 2 2.421 -9.484 7.017
11 H MET 3 HN MET 3 4.864 -8.973 10.687
12 HA MET 3 HA MET 3 5.307 -6.423 9.320
13 HB2 MET 3 HB2 MET 3 4.436 -6.493 11.678
14 HB3 MET 3 HB1 MET 3 5.977 -7.176 12.173
15 HG2 MET 3 HG2 MET 3 6.032 -4.859 12.671
16 HG3 MET 3 HG1 MET 3 7.083 -5.119 11.280
17 HE1 MET 3 HE1 MET 3 7.087 -2.532 10.728
18 HE2 MET 3 HE2 MET 3 6.063 -2.238 12.133
19 HE3 MET 3 HE3 MET 3 5.621 -1.563 10.565
20 H GLY 4 HN GLY 4 6.832 -9.344 9.654
21 HA2 GLY 4 HA2 GLY 4 9.514 -8.408 10.150
22 HA3 GLY 4 HA1 GLY 4 9.044 -10.046 9.724
23 H MET 5 HN MET 5 7.935 -9.915 7.332
24 HA MET 5 HA MET 5 10.138 -8.920 5.680
25 HB2 MET 5 HB2 MET 5 9.673 -11.309 5.475
26 HB3 MET 5 HB1 MET 5 8.001 -10.966 5.052
27 HG2 MET 5 HG2 MET 5 9.382 -11.544 3.104
28 HG3 MET 5 HG1 MET 5 8.677 -9.934 2.988
29 HE1 MET 5 HE1 MET 5 11.813 -11.090 5.116
30 HE2 MET 5 HE2 MET 5 13.110 -10.774 3.965
31 HE3 MET 5 HE3 MET 5 11.916 -12.024 3.626
32 H ARG 6 HN ARG 6 9.415 -6.772 5.717
33 HA ARG 6 HA ARG 6 7.107 -6.254 3.966
34 HB2 ARG 6 HB2 ARG 6 8.404 -4.486 6.052
35 HB3 ARG 6 HB1 ARG 6 7.152 -3.947 4.942
36 HG2 ARG 6 HG2 ARG 6 5.565 -5.470 5.900
37 HG3 ARG 6 HG1 ARG 6 6.814 -6.198 6.912
38 HD2 ARG 6 HD2 ARG 6 5.390 -4.623 8.158
39 HD3 ARG 6 HD1 ARG 6 7.079 -4.128 8.134
40 HE ARG 6 HE ARG 6 6.467 -2.487 6.434
41 HH11 ARG 6 HH11 ARG 6 3.855 -3.898 8.299
42 HH12 ARG 6 HH12 ARG 6 2.816 -2.520 8.111
43 HH21 ARG 6 HH21 ARG 6 5.097 -0.675 6.195
44 HH22 ARG 6 HH22 ARG 6 3.518 -0.698 6.916
45 H ASN 7 HN ASN 7 8.376 -6.639 2.110
46 HA ASN 7 HA ASN 7 10.827 -5.291 1.621
47 HB2 ASN 7 HB2 ASN 7 10.109 -7.426 0.503
48 HB3 ASN 7 HB1 ASN 7 8.962 -6.479 -0.441
49 HD21 ASN 7 HD21 ASN 7 9.730 -5.135 -2.088
50 HD22 ASN 7 HD22 ASN 7 11.364 -5.220 -2.658
51 H LEU 8 HN LEU 8 10.674 -3.138 1.837
52 HA LEU 8 HA LEU 8 8.931 -1.724 -0.058
53 HB2 LEU 8 HB2 LEU 8 8.890 0.121 1.720
54 HB3 LEU 8 HB1 LEU 8 7.906 -1.299 2.001
55 HG LEU 8 HG LEU 8 9.889 -2.141 3.423
56 HD11 LEU 8 HD11 LEU 8 10.511 0.806 3.371
57 HD12 LEU 8 HD12 LEU 8 11.520 -0.482 2.711
58 HD13 LEU 8 HD13 LEU 8 11.234 -0.387 4.449
59 HD21 LEU 8 HD21 LEU 8 9.031 -0.963 5.384
60 HD22 LEU 8 HD22 LEU 8 7.725 -1.502 4.330
61 HD23 LEU 8 HD23 LEU 8 8.211 0.192 4.332
62 H ASP 9 HN ASP 9 11.724 -2.622 -0.144
63 HA ASP 9 HA ASP 9 13.400 -0.333 0.254
64 HB2 ASP 9 HB2 ASP 9 14.258 -2.598 0.589
65 HB3 ASP 9 HB1 ASP 9 13.966 -2.973 -1.104
66 H GLU 10 HN GLU 10 11.930 -1.931 -2.516
67 HA GLU 10 HA GLU 10 13.089 -0.004 -4.363
68 HB2 GLU 10 HB2 GLU 10 11.255 -2.364 -4.770
69 HB3 GLU 10 HB1 GLU 10 11.734 -1.285 -6.069
70 HG2 GLU 10 HG2 GLU 10 13.738 -2.720 -4.370
71 HG3 GLU 10 HG1 GLU 10 13.034 -3.443 -5.816
72 H CYS 11 HN CYS 11 10.910 0.419 -2.213
73 HA CYS 11 HA CYS 11 8.826 1.594 -3.907
74 HB2 CYS 11 HB2 CYS 11 8.090 -0.013 -2.210
75 HB3 CYS 11 HB1 CYS 11 8.853 0.949 -0.958
76 H GLU 12 HN GLU 12 9.726 3.513 -4.479
77 HA GLU 12 HA GLU 12 11.315 5.144 -2.859
78 HB2 GLU 12 HB2 GLU 12 9.585 5.935 -5.202
79 HB3 GLU 12 HB1 GLU 12 10.905 6.886 -4.535
80 HG2 GLU 12 HG2 GLU 12 11.220 4.144 -5.731
81 HG3 GLU 12 HG1 GLU 12 11.494 5.652 -6.600
82 H VAL 13 HN VAL 13 7.848 4.955 -3.277
83 HA VAL 13 HA VAL 13 7.281 7.432 -2.050
84 HB VAL 13 HB VAL 13 5.641 6.488 -3.506
85 HG11 VAL 13 HG11 VAL 13 5.394 4.207 -1.568
86 HG12 VAL 13 HG12 VAL 13 6.121 4.130 -3.174
87 HG13 VAL 13 HG13 VAL 13 4.400 4.466 -2.998
88 HG21 VAL 13 HG21 VAL 13 3.649 6.712 -2.184
89 HG22 VAL 13 HG22 VAL 13 4.856 7.863 -1.605
90 HG23 VAL 13 HG23 VAL 13 4.552 6.373 -0.710
91 H CYS 14 HN CYS 14 7.747 4.182 -0.764
92 HA CYS 14 HA CYS 14 6.868 4.730 1.870
93 HB2 CYS 14 HB2 CYS 14 8.500 2.656 0.576
94 HB3 CYS 14 HB1 CYS 14 8.912 2.958 2.258
95 H ARG 15 HN ARG 15 9.821 5.315 0.155
96 HA ARG 15 HA ARG 15 11.374 6.111 2.412
97 HB2 ARG 15 HB2 ARG 15 11.771 6.801 -0.501
98 HB3 ARG 15 HB1 ARG 15 12.983 6.907 0.769
99 HG2 ARG 15 HG2 ARG 15 12.994 4.519 1.035
100 HG3 ARG 15 HG1 ARG 15 11.655 4.352 -0.100
101 HD2 ARG 15 HD2 ARG 15 13.714 3.808 -1.220
102 HD3 ARG 15 HD1 ARG 15 13.087 5.325 -1.864
103 HE ARG 15 HE ARG 15 14.958 5.715 0.264
104 HH11 ARG 15 HH11 ARG 15 14.609 5.190 -3.183
105 HH12 ARG 15 HH12 ARG 15 16.182 5.831 -3.559
106 HH21 ARG 15 HH21 ARG 15 17.017 6.563 -0.232
107 HH22 ARG 15 HH22 ARG 15 17.553 6.600 -1.882
108 H ASP 16 HN ASP 16 9.392 7.765 0.034
109 HA ASP 16 HA ASP 16 9.903 10.390 1.040
110 HB2 ASP 16 HB2 ASP 16 7.817 9.262 -0.813
111 HB3 ASP 16 HB1 ASP 16 7.778 10.945 -0.302
112 H GLY 17 HN GLY 17 8.444 7.934 2.553
113 HA2 GLY 17 HA2 GLY 17 7.348 7.991 4.597
114 HA3 GLY 17 HA1 GLY 17 7.159 9.728 4.411
115 H GLY 18 HN GLY 18 6.130 7.671 1.836
116 HA2 GLY 18 HA2 GLY 18 3.452 8.594 1.963
117 HA3 GLY 18 HA1 GLY 18 4.052 7.304 0.938
118 H GLU 19 HN GLU 19 1.547 7.370 2.259
119 HA GLU 19 HA GLU 19 1.868 5.465 4.465
120 HB2 GLU 19 HB2 GLU 19 -0.473 7.173 3.620
121 HB3 GLU 19 HB1 GLU 19 -0.537 6.008 4.938
122 HG2 GLU 19 HG2 GLU 19 1.331 7.273 6.028
123 HG3 GLU 19 HG1 GLU 19 1.164 8.488 4.764
124 H LEU 20 HN LEU 20 0.508 3.631 4.607
125 HA LEU 20 HA LEU 20 -0.021 2.423 2.004
126 HB2 LEU 20 HB2 LEU 20 0.393 1.363 4.769
127 HB3 LEU 20 HB1 LEU 20 -0.458 0.384 3.591
128 HG LEU 20 HG LEU 20 2.311 1.483 3.105
129 HD11 LEU 20 HD11 LEU 20 3.131 -0.745 3.705
130 HD12 LEU 20 HD12 LEU 20 1.502 -1.216 4.190
131 HD13 LEU 20 HD13 LEU 20 2.358 0.045 5.078
132 HD21 LEU 20 HD21 LEU 20 2.381 -0.301 1.421
133 HD22 LEU 20 HD22 LEU 20 1.066 0.829 1.105
134 HD23 LEU 20 HD23 LEU 20 0.724 -0.746 1.821
135 H PHE 21 HN PHE 21 -2.022 1.911 1.293
136 HA PHE 21 HA PHE 21 -4.269 2.400 3.138
137 HB2 PHE 21 HB2 PHE 21 -4.156 2.684 0.115
138 HB3 PHE 21 HB1 PHE 21 -5.615 2.877 1.087
139 HD1 PHE 21 HD2 PHE 21 -2.357 4.326 0.241
140 HD2 PHE 21 HD1 PHE 21 -5.979 4.854 2.415
141 HE1 PHE 21 HE2 PHE 21 -1.823 6.702 0.558
142 HE2 PHE 21 HE1 PHE 21 -5.453 7.229 2.723
143 HZ PHE 21 HZ PHE 21 -3.333 8.128 1.929
144 H CYS 22 HN CYS 22 -2.797 -0.005 2.975
145 HA CYS 22 HA CYS 22 -4.914 -1.830 2.099
146 HB2 CYS 22 HB2 CYS 22 -2.017 -1.899 1.367
147 HB3 CYS 22 HB1 CYS 22 -2.880 -3.420 1.576
148 H CYS 23 HN CYS 23 -4.931 -3.846 3.172
149 HA CYS 23 HA CYS 23 -3.970 -3.744 5.895
150 HB2 CYS 23 HB2 CYS 23 -5.328 -5.680 6.259
151 HB3 CYS 23 HB1 CYS 23 -6.251 -4.641 5.176
152 H ASP 24 HN ASP 24 -2.885 -5.875 6.714
153 HA ASP 24 HA ASP 24 -0.323 -5.931 5.681
154 HB2 ASP 24 HB2 ASP 24 -1.799 -7.933 7.376
155 HB3 ASP 24 HB1 ASP 24 -0.119 -8.177 6.913
156 H THR 25 HN THR 25 -2.920 -8.270 5.078
157 HA THR 25 HA THR 25 -1.409 -10.088 3.588
158 HB THR 25 HB THR 25 -4.366 -9.548 3.325
159 HG1 THR 25 HG1 THR 25 -4.459 -10.245 5.313
160 HG21 THR 25 HG21 THR 25 -4.491 -11.922 2.716
161 HG22 THR 25 HG22 THR 25 -2.735 -12.042 2.822
162 HG23 THR 25 HG23 THR 25 -3.476 -11.022 1.590
163 H CYS 26 HN CYS 26 -3.418 -7.356 2.458
164 HA CYS 26 HA CYS 26 -2.856 -7.908 -0.292
165 HB2 CYS 26 HB2 CYS 26 -3.962 -5.394 0.966
166 HB3 CYS 26 HB1 CYS 26 -3.953 -5.750 -0.753
167 H SER 27 HN SER 27 -1.442 -5.784 2.137
168 HA SER 27 HA SER 27 -0.038 -4.083 0.388
169 HB2 SER 27 HB2 SER 27 -0.425 -3.491 2.720
170 HB3 SER 27 HB1 SER 27 0.553 -4.855 3.255
171 HG SER 27 HG SER 27 2.138 -3.492 3.187
172 H ARG 28 HN ARG 28 0.735 -7.225 1.740
173 HA ARG 28 HA ARG 28 3.491 -7.149 1.024
174 HB2 ARG 28 HB2 ARG 28 1.658 -9.428 1.769
175 HB3 ARG 28 HB1 ARG 28 3.385 -9.622 1.489
176 HG2 ARG 28 HG2 ARG 28 3.913 -8.210 3.345
177 HG3 ARG 28 HG1 ARG 28 2.219 -7.770 3.556
178 HD2 ARG 28 HD2 ARG 28 2.791 -9.390 5.216
179 HD3 ARG 28 HD1 ARG 28 1.721 -10.158 4.048
180 HE ARG 28 HE ARG 28 4.441 -10.595 3.367
181 HH11 ARG 28 HH11 ARG 28 1.936 -11.629 5.583
182 HH12 ARG 28 HH12 ARG 28 2.662 -13.176 5.882
183 HH21 ARG 28 HH21 ARG 28 5.394 -12.633 3.753
184 HH22 ARG 28 HH22 ARG 28 4.623 -13.753 4.835
185 H VAL 29 HN VAL 29 0.625 -7.747 -0.733
186 HA VAL 29 HA VAL 29 2.076 -9.236 -2.800
187 HB VAL 29 HB VAL 29 -0.901 -8.810 -2.528
188 HG11 VAL 29 HG11 VAL 29 -1.091 -10.566 -4.221
189 HG12 VAL 29 HG12 VAL 29 0.666 -10.631 -4.353
190 HG13 VAL 29 HG13 VAL 29 -0.200 -9.175 -4.843
191 HG21 VAL 29 HG21 VAL 29 -0.948 -11.188 -1.872
192 HG22 VAL 29 HG22 VAL 29 -0.076 -10.180 -0.718
193 HG23 VAL 29 HG23 VAL 29 0.815 -11.195 -1.853
194 H PHE 30 HN PHE 30 0.110 -6.320 -2.333
195 HA PHE 30 HA PHE 30 0.919 -5.452 -5.038
196 HB2 PHE 30 HB2 PHE 30 -1.632 -4.678 -3.596
197 HB3 PHE 30 HB1 PHE 30 -1.170 -4.210 -5.228
198 HD1 PHE 30 HD1 PHE 30 -0.815 -6.159 -6.907
199 HD2 PHE 30 HD2 PHE 30 -3.011 -6.522 -3.275
200 HE1 PHE 30 HE1 PHE 30 -1.978 -8.124 -7.812
201 HE2 PHE 30 HE2 PHE 30 -4.173 -8.490 -4.176
202 HZ PHE 30 HZ PHE 30 -3.717 -9.279 -6.405
203 H HIS 31 HN HIS 31 2.566 -4.958 -2.924
204 HA HIS 31 HA HIS 31 2.106 -2.855 -1.227
205 HB2 HIS 31 HB2 HIS 31 4.074 -4.356 -1.177
206 HB3 HIS 31 HB1 HIS 31 4.736 -3.501 -2.564
207 HD1 HIS 31 HD1 HIS 31 3.589 -2.586 0.975
208 HD2 HIS 31 HD2 HIS 31 6.470 -1.594 -1.852
209 HE1 HIS 31 HE1 HIS 31 5.138 -0.912 2.087
210 H GLU 32 HN GLU 32 3.440 -2.636 -4.514
211 HA GLU 32 HA GLU 32 4.012 0.133 -4.398
212 HB2 GLU 32 HB2 GLU 32 3.610 -1.759 -6.705
213 HB3 GLU 32 HB1 GLU 32 4.024 -0.066 -6.931
214 HG2 GLU 32 HG2 GLU 32 5.665 -2.057 -5.388
215 HG3 GLU 32 HG1 GLU 32 5.979 -1.546 -7.045
216 H ASP 33 HN ASP 33 1.211 -1.687 -5.451
217 HA ASP 33 HA ASP 33 -0.163 0.607 -6.505
218 HB2 ASP 33 HB2 ASP 33 -1.049 -2.225 -5.935
219 HB3 ASP 33 HB1 ASP 33 -2.114 -1.003 -6.620
220 H CYS 34 HN CYS 34 0.146 -0.965 -3.470
221 HA CYS 34 HA CYS 34 -2.299 0.027 -2.343
222 HB2 CYS 34 HB2 CYS 34 0.094 -1.435 -1.262
223 HB3 CYS 34 HB1 CYS 34 -1.137 -0.788 -0.176
224 H HIS 35 HN HIS 35 0.462 1.580 -3.157
225 HA HIS 35 HA HIS 35 0.202 3.559 -1.002
226 HB2 HIS 35 HB2 HIS 35 2.309 3.114 -3.110
227 HB3 HIS 35 HB1 HIS 35 2.244 4.583 -2.137
228 HD1 HIS 35 HD1 HIS 35 2.868 4.341 0.403
229 HD2 HIS 35 HD2 HIS 35 3.133 0.830 -1.798
230 HE1 HIS 35 HE1 HIS 35 4.140 2.696 1.841
231 H ILE 36 HN ILE 36 -1.302 2.909 -3.751
232 HA ILE 36 HA ILE 36 -1.591 5.729 -4.533
233 HB ILE 36 HB ILE 36 -1.576 3.351 -6.399
234 HG12 ILE 36 HG12 ILE 36 0.449 5.583 -6.111
235 HG13 ILE 36 HG11 ILE 36 0.664 3.944 -5.508
236 HG21 ILE 36 HG21 ILE 36 -1.821 6.300 -6.984
237 HG22 ILE 36 HG22 ILE 36 -3.090 5.089 -7.160
238 HG23 ILE 36 HG23 ILE 36 -1.663 5.028 -8.194
239 HD11 ILE 36 HD11 ILE 36 0.328 4.721 -8.395
240 HD12 ILE 36 HD12 ILE 36 0.577 3.087 -7.781
241 HD13 ILE 36 HD13 ILE 36 1.847 4.296 -7.603
242 HA PRO 37 HA PRO 37 -2.770 7.064 -5.158
243 HB2 PRO 37 HB2 PRO 37 -4.813 8.707 -4.664
244 HB3 PRO 37 HB1 PRO 37 -4.763 7.742 -6.153
245 HG2 PRO 37 HG2 PRO 37 -6.333 7.288 -3.646
246 HG3 PRO 37 HG1 PRO 37 -6.821 7.046 -5.335
247 HD2 PRO 37 HD2 PRO 37 -5.935 5.042 -3.606
248 HD3 PRO 37 HD1 PRO 37 -5.981 4.926 -5.378
249 HA PRO 38 HA PRO 38 -1.755 8.013 -0.914
250 HB2 PRO 38 HB2 PRO 38 -0.605 10.445 -1.300
251 HB3 PRO 38 HB1 PRO 38 0.209 8.925 -1.688
252 HG2 PRO 38 HG2 PRO 38 -1.225 10.830 -3.501
253 HG3 PRO 38 HG1 PRO 38 0.301 9.965 -3.769
254 HD2 PRO 38 HD2 PRO 38 -2.059 9.142 -4.842
255 HD3 PRO 38 HD1 PRO 38 -0.770 8.006 -4.381
256 H VAL 39 HN VAL 39 -2.442 9.405 0.779
257 HA VAL 39 HA VAL 39 -5.013 10.528 0.351
258 HB VAL 39 HB VAL 39 -4.624 9.501 2.469
259 HG11 VAL 39 HG11 VAL 39 -2.251 9.809 2.735
260 HG12 VAL 39 HG12 VAL 39 -3.088 10.457 4.144
261 HG13 VAL 39 HG13 VAL 39 -2.466 11.550 2.909
262 HG21 VAL 39 HG21 VAL 39 -5.417 11.223 3.975
263 HG22 VAL 39 HG22 VAL 39 -6.178 11.395 2.392
264 HG23 VAL 39 HG23 VAL 39 -4.867 12.476 2.862
265 H GLU 40 HN GLU 40 -5.268 12.298 -0.724
266 HA GLU 40 HA GLU 40 -3.853 14.711 0.119
267 HB2 GLU 40 HB2 GLU 40 -4.199 13.848 -2.767
268 HB3 GLU 40 HB1 GLU 40 -3.615 15.424 -2.253
269 HG2 GLU 40 HG2 GLU 40 -1.664 14.402 -1.241
270 HG3 GLU 40 HG1 GLU 40 -2.262 12.799 -1.664
271 H ALA 41 HN ALA 41 -6.415 13.413 -1.986
272 HA ALA 41 HA ALA 41 -8.062 15.752 -1.423
273 HB1 ALA 41 HB1 ALA 41 -7.965 14.946 -3.735
274 HB2 ALA 41 HB2 ALA 41 -9.601 14.839 -3.084
275 HB3 ALA 41 HB3 ALA 41 -8.609 13.388 -3.218
276 H GLU 42 HN GLU 42 -7.887 12.313 -0.820
277 HA GLU 42 HA GLU 42 -9.492 12.465 1.509
278 HB2 GLU 42 HB2 GLU 42 -11.353 11.046 0.748
279 HB3 GLU 42 HB1 GLU 42 -11.309 12.574 -0.117
280 HG2 GLU 42 HG2 GLU 42 -10.335 11.513 -2.042
281 HG3 GLU 42 HG1 GLU 42 -10.224 9.979 -1.177
282 H ARG 43 HN ARG 43 -10.371 9.685 1.281
283 HA ARG 43 HA ARG 43 -9.687 7.545 1.449
284 HB2 ARG 43 HB2 ARG 43 -7.275 8.658 0.104
285 HB3 ARG 43 HB1 ARG 43 -7.178 7.065 0.845
286 HG2 ARG 43 HG2 ARG 43 -9.250 7.853 -1.192
287 HG3 ARG 43 HG1 ARG 43 -7.728 7.052 -1.583
288 HD2 ARG 43 HD2 ARG 43 -9.420 5.364 -1.452
289 HD3 ARG 43 HD1 ARG 43 -8.397 5.202 -0.027
290 HE ARG 43 HE ARG 43 -10.810 6.791 0.302
291 HH11 ARG 43 HH11 ARG 43 -9.293 3.650 0.671
292 HH12 ARG 43 HH12 ARG 43 -10.460 3.087 1.829
293 HH21 ARG 43 HH21 ARG 43 -12.321 6.056 1.834
294 HH22 ARG 43 HH22 ARG 43 -12.169 4.460 2.501
295 H THR 44 HN THR 44 -9.234 6.454 3.173
296 HA THR 44 HA THR 44 -7.703 7.782 5.287
297 HB THR 44 HB THR 44 -9.057 6.334 6.824
298 HG1 THR 44 HG1 THR 44 -11.038 5.495 5.682
299 HG21 THR 44 HG21 THR 44 -11.178 7.581 6.514
300 HG22 THR 44 HG22 THR 44 -10.597 8.135 4.945
301 HG23 THR 44 HG23 THR 44 -9.762 8.628 6.418
302 HA PRO 45 HA PRO 45 -4.675 4.591 4.627
303 HB2 PRO 45 HB2 PRO 45 -3.709 5.276 7.330
304 HB3 PRO 45 HB1 PRO 45 -2.866 5.349 5.778
305 HG2 PRO 45 HG2 PRO 45 -3.654 7.575 7.049
306 HG3 PRO 45 HG1 PRO 45 -3.679 7.453 5.280
307 HD2 PRO 45 HD2 PRO 45 -5.946 7.245 7.230
308 HD3 PRO 45 HD1 PRO 45 -5.891 8.033 5.636
309 H TRP 46 HN TRP 46 -6.865 4.611 7.316
310 HA TRP 46 HA TRP 46 -5.966 1.966 8.177
311 HB2 TRP 46 HB2 TRP 46 -7.605 2.237 10.034
312 HB3 TRP 46 HB1 TRP 46 -6.385 3.502 9.989
313 HD1 TRP 46 HD1 TRP 46 -10.131 2.936 9.644
314 HE1 TRP 46 HE1 TRP 46 -11.324 5.213 9.627
315 HE3 TRP 46 HE3 TRP 46 -6.047 5.993 9.278
316 HZ2 TRP 46 HZ2 TRP 46 -10.628 7.938 9.480
317 HZ3 TRP 46 HZ3 TRP 46 -6.402 8.426 9.200
318 HH2 TRP 46 HH2 TRP 46 -8.639 9.374 9.296
319 H ASN 47 HN ASN 47 -7.316 2.488 5.618
320 HA ASN 47 HA ASN 47 -9.385 0.427 5.894
321 HB2 ASN 47 HB2 ASN 47 -10.590 2.543 5.674
322 HB3 ASN 47 HB1 ASN 47 -9.618 2.981 4.276
323 HD21 ASN 47 HD21 ASN 47 -11.082 -0.172 4.983
324 HD22 ASN 47 HD22 ASN 47 -12.123 -0.177 3.601
325 H CYS 48 HN CYS 48 -9.153 -1.186 4.376
326 HA CYS 48 HA CYS 48 -6.848 -0.928 2.629
327 HB2 CYS 48 HB2 CYS 48 -7.232 -2.992 4.028
328 HB3 CYS 48 HB1 CYS 48 -8.643 -3.341 3.035
329 H ILE 49 HN ILE 49 -7.026 -0.306 0.581
330 HA ILE 49 HA ILE 49 -9.634 -0.018 -0.600
331 HB ILE 49 HB ILE 49 -8.362 0.844 -2.606
332 HG12 ILE 49 HG12 ILE 49 -6.009 0.772 -0.717
333 HG13 ILE 49 HG11 ILE 49 -6.220 -0.332 -2.072
334 HG21 ILE 49 HG21 ILE 49 -9.351 2.361 -1.037
335 HG22 ILE 49 HG22 ILE 49 -7.757 2.971 -1.481
336 HG23 ILE 49 HG23 ILE 49 -7.994 2.170 0.071
337 HD11 ILE 49 HD11 ILE 49 -5.950 2.663 -2.258
338 HD12 ILE 49 HD12 ILE 49 -6.140 1.554 -3.616
339 HD13 ILE 49 HD13 ILE 49 -4.689 1.482 -2.615
340 H PHE 50 HN PHE 50 -7.046 -2.314 -0.822
341 HA PHE 50 HA PHE 50 -7.945 -3.357 -3.352
342 HB2 PHE 50 HB2 PHE 50 -5.679 -3.964 -1.542
343 HB3 PHE 50 HB1 PHE 50 -6.291 -5.311 -2.507
344 HD1 PHE 50 HD2 PHE 50 -4.957 -1.861 -2.727
345 HD2 PHE 50 HD1 PHE 50 -5.843 -5.464 -4.803
346 HE1 PHE 50 HE2 PHE 50 -3.782 -1.004 -4.705
347 HE2 PHE 50 HE1 PHE 50 -4.673 -4.614 -6.789
348 HZ PHE 50 HZ PHE 50 -3.641 -2.382 -6.745
349 H CYS 51 HN CYS 51 -8.447 -4.083 0.031
350 HA CYS 51 HA CYS 51 -9.786 -6.550 -0.381
351 HB2 CYS 51 HB2 CYS 51 -9.685 -4.570 1.852
352 HB3 CYS 51 HB1 CYS 51 -10.991 -5.748 1.848
353 H ARG 52 HN ARG 52 -10.955 -3.188 -0.190
354 HA ARG 52 HA ARG 52 -13.653 -3.891 -0.758
355 HB2 ARG 52 HB2 ARG 52 -12.220 -1.237 -0.990
356 HB3 ARG 52 HB1 ARG 52 -13.953 -1.447 -1.149
357 HG2 ARG 52 HG2 ARG 52 -12.390 -2.127 1.337
358 HG3 ARG 52 HG1 ARG 52 -13.209 -0.592 1.063
359 HD2 ARG 52 HD2 ARG 52 -14.695 -1.869 2.364
360 HD3 ARG 52 HD1 ARG 52 -15.331 -1.949 0.725
361 HE ARG 52 HE ARG 52 -13.677 -4.120 1.824
362 HH11 ARG 52 HH11 ARG 52 -16.678 -2.999 0.405
363 HH12 ARG 52 HH12 ARG 52 -17.306 -4.599 0.170
364 HH21 ARG 52 HH21 ARG 52 -14.524 -6.224 1.535
365 HH22 ARG 52 HH22 ARG 52 -16.081 -6.428 0.799
366 H MET 53 HN MET 53 -10.915 -3.781 -2.685
367 HA MET 53 HA MET 53 -12.526 -3.397 -5.125
368 HB2 MET 53 HB2 MET 53 -10.659 -1.722 -4.668
369 HB3 MET 53 HB1 MET 53 -9.534 -3.046 -4.929
370 HG2 MET 53 HG2 MET 53 -9.728 -1.741 -6.932
371 HG3 MET 53 HG1 MET 53 -10.435 -3.334 -7.195
372 HE1 MET 53 HE1 MET 53 -11.524 -2.279 -9.422
373 HE2 MET 53 HE2 MET 53 -10.886 -0.681 -9.030
374 HE3 MET 53 HE3 MET 53 -12.597 -0.880 -9.408
375 H LYS 54 HN LYS 54 -12.315 -5.803 -3.640
376 HA LYS 54 HA LYS 54 -10.686 -7.493 -5.406
377 HB2 LYS 54 HB2 LYS 54 -10.059 -7.640 -3.029
378 HB3 LYS 54 HB1 LYS 54 -11.715 -8.050 -2.615
379 HG2 LYS 54 HG2 LYS 54 -11.537 -10.130 -3.868
380 HG3 LYS 54 HG1 LYS 54 -9.882 -9.727 -4.320
381 HD2 LYS 54 HD2 LYS 54 -9.954 -11.306 -2.449
382 HD3 LYS 54 HD1 LYS 54 -9.212 -9.778 -1.981
383 HE2 LYS 54 HE2 LYS 54 -10.747 -10.638 -0.264
384 HE3 LYS 54 HE1 LYS 54 -11.261 -9.076 -0.897
385 HZ1 LYS 54 HZ1 LYS 54 -12.885 -10.196 -2.276
386 HZ2 LYS 54 HZ2 LYS 54 -13.111 -10.621 -0.655
387 HZ3 LYS 54 HZ3 LYS 54 -12.370 -11.708 -1.719
388 H GLU 55 HN GLU 55 -12.347 -7.398 -6.994
389 HA GLU 55 HA GLU 55 -14.522 -9.279 -6.491
390 HB2 GLU 55 HB2 GLU 55 -15.413 -7.013 -6.091
391 HB3 GLU 55 HB1 GLU 55 -14.919 -6.546 -7.708
392 HG2 GLU 55 HG2 GLU 55 -16.465 -8.201 -8.644
393 HG3 GLU 55 HG1 GLU 55 -16.972 -8.630 -7.010
394 H SER 56 HN SER 56 -13.041 -10.583 -7.763
395 HA SER 56 HA SER 56 -13.733 -10.409 -10.561
396 HB2 SER 56 HB2 SER 56 -11.553 -9.113 -10.246
397 HB3 SER 56 HB1 SER 56 -10.811 -10.654 -9.820
398 HG SER 56 HG SER 56 -11.041 -11.359 -11.850
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 17.473 -6.203 5.721
2 H2 GLY 1 HT2 GLY 1 17.936 -6.741 7.254
3 H3 GLY 1 HT3 GLY 1 17.566 -7.859 6.043
4 HA2 GLY 1 HA1 GLY 1 19.847 -5.970 5.996
5 HA3 GLY 1 HA2 GLY 1 19.956 -7.684 6.374
6 H ALA 2 HN ALA 2 19.488 -5.312 3.874
7 HA ALA 2 HA ALA 2 20.101 -7.361 1.872
8 HB1 ALA 2 HB1 ALA 2 17.659 -7.114 1.869
9 HB2 ALA 2 HB2 ALA 2 18.371 -6.537 0.362
10 HB3 ALA 2 HB3 ALA 2 17.838 -5.383 1.584
11 H MET 3 HN MET 3 22.003 -5.775 2.777
12 HA MET 3 HA MET 3 23.684 -4.433 2.077
13 HB2 MET 3 HB2 MET 3 23.310 -5.541 -0.120
14 HB3 MET 3 HB1 MET 3 22.174 -4.270 -0.541
15 HG2 MET 3 HG2 MET 3 23.912 -2.626 -0.553
16 HG3 MET 3 HG1 MET 3 25.074 -3.778 0.103
17 HE1 MET 3 HE1 MET 3 22.370 -4.534 -2.692
18 HE2 MET 3 HE2 MET 3 23.274 -4.095 -4.143
19 HE3 MET 3 HE3 MET 3 22.826 -2.855 -2.974
20 H GLY 4 HN GLY 4 22.342 -3.163 3.744
21 HA2 GLY 4 HA2 GLY 4 22.627 -0.513 3.481
22 HA3 GLY 4 HA1 GLY 4 21.067 -0.773 2.707
23 H MET 5 HN MET 5 20.171 0.570 4.416
24 HA MET 5 HA MET 5 19.758 -0.982 6.888
25 HB2 MET 5 HB2 MET 5 19.872 2.000 6.472
26 HB3 MET 5 HB1 MET 5 19.083 1.296 7.877
27 HG2 MET 5 HG2 MET 5 21.153 0.257 8.566
28 HG3 MET 5 HG1 MET 5 21.961 0.838 7.113
29 HE1 MET 5 HE1 MET 5 20.263 1.870 10.512
30 HE2 MET 5 HE2 MET 5 19.349 2.808 9.332
31 HE3 MET 5 HE3 MET 5 20.423 3.626 10.466
32 H ARG 6 HN ARG 6 18.064 1.740 5.337
33 HA ARG 6 HA ARG 6 15.638 0.072 5.327
34 HB2 ARG 6 HB2 ARG 6 15.896 3.087 5.402
35 HB3 ARG 6 HB1 ARG 6 14.378 2.219 5.228
36 HG2 ARG 6 HG2 ARG 6 14.751 1.169 7.422
37 HG3 ARG 6 HG1 ARG 6 16.235 2.108 7.595
38 HD2 ARG 6 HD2 ARG 6 14.971 4.173 7.513
39 HD3 ARG 6 HD1 ARG 6 13.480 3.278 7.223
40 HE ARG 6 HE ARG 6 14.779 2.471 9.635
41 HH11 ARG 6 HH11 ARG 6 12.704 4.917 8.241
42 HH12 ARG 6 HH12 ARG 6 11.953 5.320 9.749
43 HH21 ARG 6 HH21 ARG 6 13.779 2.975 11.614
44 HH22 ARG 6 HH22 ARG 6 12.558 4.209 11.674
45 H ASN 7 HN ASN 7 16.869 -0.726 3.347
46 HA ASN 7 HA ASN 7 16.792 1.028 1.051
47 HB2 ASN 7 HB2 ASN 7 18.558 -0.785 1.464
48 HB3 ASN 7 HB1 ASN 7 17.325 -1.944 0.980
49 HD21 ASN 7 HD21 ASN 7 16.708 -2.050 -1.180
50 HD22 ASN 7 HD22 ASN 7 17.578 -1.249 -2.436
51 H LEU 8 HN LEU 8 14.756 -1.194 2.618
52 HA LEU 8 HA LEU 8 12.524 -1.560 2.399
53 HB2 LEU 8 HB2 LEU 8 12.683 0.472 0.180
54 HB3 LEU 8 HB1 LEU 8 11.215 -0.083 0.957
55 HG LEU 8 HG LEU 8 13.422 1.439 2.353
56 HD11 LEU 8 HD11 LEU 8 11.812 3.306 2.355
57 HD12 LEU 8 HD12 LEU 8 10.748 2.361 1.314
58 HD13 LEU 8 HD13 LEU 8 12.335 2.858 0.732
59 HD21 LEU 8 HD21 LEU 8 11.687 1.720 4.118
60 HD22 LEU 8 HD22 LEU 8 12.236 0.059 3.919
61 HD23 LEU 8 HD23 LEU 8 10.681 0.557 3.254
62 H ASP 9 HN ASP 9 10.803 -1.817 0.390
63 HA ASP 9 HA ASP 9 11.752 -4.198 -0.956
64 HB2 ASP 9 HB2 ASP 9 9.564 -4.167 0.213
65 HB3 ASP 9 HB1 ASP 9 8.996 -2.946 -0.917
66 H GLU 10 HN GLU 10 12.544 -1.384 -1.721
67 HA GLU 10 HA GLU 10 13.075 -0.221 -3.593
68 HB2 GLU 10 HB2 GLU 10 11.537 -2.323 -5.123
69 HB3 GLU 10 HB1 GLU 10 12.547 -1.073 -5.834
70 HG2 GLU 10 HG2 GLU 10 13.530 -3.214 -3.965
71 HG3 GLU 10 HG1 GLU 10 13.625 -3.296 -5.723
72 H CYS 11 HN CYS 11 10.846 0.229 -1.954
73 HA CYS 11 HA CYS 11 8.884 1.425 -3.768
74 HB2 CYS 11 HB2 CYS 11 8.042 -0.102 -2.039
75 HB3 CYS 11 HB1 CYS 11 8.785 0.890 -0.802
76 H GLU 12 HN GLU 12 9.986 3.284 -4.355
77 HA GLU 12 HA GLU 12 11.461 4.874 -2.553
78 HB2 GLU 12 HB2 GLU 12 10.369 5.415 -5.296
79 HB3 GLU 12 HB1 GLU 12 11.255 6.633 -4.389
80 HG2 GLU 12 HG2 GLU 12 12.306 3.922 -5.173
81 HG3 GLU 12 HG1 GLU 12 12.703 5.452 -5.949
82 H VAL 13 HN VAL 13 8.079 4.752 -3.270
83 HA VAL 13 HA VAL 13 7.505 7.340 -2.248
84 HB VAL 13 HB VAL 13 5.914 6.317 -3.737
85 HG11 VAL 13 HG11 VAL 13 4.605 4.391 -3.189
86 HG12 VAL 13 HG12 VAL 13 5.401 4.244 -1.625
87 HG13 VAL 13 HG13 VAL 13 6.312 3.974 -3.110
88 HG21 VAL 13 HG21 VAL 13 3.864 6.708 -2.521
89 HG22 VAL 13 HG22 VAL 13 5.081 7.890 -2.036
90 HG23 VAL 13 HG23 VAL 13 4.712 6.521 -0.987
91 H CYS 14 HN CYS 14 7.832 4.140 -0.798
92 HA CYS 14 HA CYS 14 7.006 4.878 1.811
93 HB2 CYS 14 HB2 CYS 14 8.526 2.657 0.620
94 HB3 CYS 14 HB1 CYS 14 8.935 3.019 2.292
95 H ARG 15 HN ARG 15 9.959 5.243 0.026
96 HA ARG 15 HA ARG 15 11.644 6.122 2.113
97 HB2 ARG 15 HB2 ARG 15 12.471 5.422 -0.091
98 HB3 ARG 15 HB1 ARG 15 11.668 6.795 -0.834
99 HG2 ARG 15 HG2 ARG 15 13.136 8.304 0.455
100 HG3 ARG 15 HG1 ARG 15 13.985 6.888 1.085
101 HD2 ARG 15 HD2 ARG 15 14.494 6.214 -1.240
102 HD3 ARG 15 HD1 ARG 15 13.729 7.695 -1.809
103 HE ARG 15 HE ARG 15 15.654 8.519 -0.035
104 HH11 ARG 15 HH11 ARG 15 15.586 6.641 -2.996
105 HH12 ARG 15 HH12 ARG 15 17.197 7.099 -3.466
106 HH21 ARG 15 HH21 ARG 15 17.754 9.145 -0.669
107 HH22 ARG 15 HH22 ARG 15 18.425 8.535 -2.147
108 H ASP 16 HN ASP 16 9.413 7.757 -0.038
109 HA ASP 16 HA ASP 16 9.830 10.370 1.001
110 HB2 ASP 16 HB2 ASP 16 7.469 9.226 -0.507
111 HB3 ASP 16 HB1 ASP 16 7.722 10.938 -0.183
112 H GLY 17 HN GLY 17 8.440 7.699 2.401
113 HA2 GLY 17 HA2 GLY 17 7.471 7.572 4.521
114 HA3 GLY 17 HA1 GLY 17 7.212 9.312 4.480
115 H GLY 18 HN GLY 18 6.208 7.436 1.768
116 HA2 GLY 18 HA2 GLY 18 3.576 8.350 1.821
117 HA3 GLY 18 HA1 GLY 18 4.157 6.992 0.878
118 H GLU 19 HN GLU 19 1.639 7.418 2.275
119 HA GLU 19 HA GLU 19 1.711 5.540 4.497
120 HB2 GLU 19 HB2 GLU 19 -0.380 7.385 3.389
121 HB3 GLU 19 HB1 GLU 19 -0.785 6.159 4.586
122 HG2 GLU 19 HG2 GLU 19 1.272 8.334 4.945
123 HG3 GLU 19 HG1 GLU 19 -0.376 8.382 5.571
124 H LEU 20 HN LEU 20 0.176 3.798 4.645
125 HA LEU 20 HA LEU 20 -0.227 2.481 2.054
126 HB2 LEU 20 HB2 LEU 20 0.178 1.468 4.843
127 HB3 LEU 20 HB1 LEU 20 -0.593 0.455 3.639
128 HG LEU 20 HG LEU 20 2.146 1.662 3.255
129 HD11 LEU 20 HD11 LEU 20 3.044 -0.510 3.894
130 HD12 LEU 20 HD12 LEU 20 1.419 -1.094 4.253
131 HD13 LEU 20 HD13 LEU 20 2.131 0.193 5.229
132 HD21 LEU 20 HD21 LEU 20 0.669 -0.592 1.887
133 HD22 LEU 20 HD22 LEU 20 2.338 -0.130 1.570
134 HD23 LEU 20 HD23 LEU 20 1.029 0.990 1.197
135 H PHE 21 HN PHE 21 -2.221 1.906 1.384
136 HA PHE 21 HA PHE 21 -4.459 2.427 3.236
137 HB2 PHE 21 HB2 PHE 21 -4.490 2.687 0.212
138 HB3 PHE 21 HB1 PHE 21 -5.779 3.149 1.326
139 HD1 PHE 21 HD1 PHE 21 -5.403 5.056 2.912
140 HD2 PHE 21 HD2 PHE 21 -2.696 4.162 -0.258
141 HE1 PHE 21 HE1 PHE 21 -4.484 7.324 3.059
142 HE2 PHE 21 HE2 PHE 21 -1.771 6.432 -0.100
143 HZ PHE 21 HZ PHE 21 -2.541 7.955 1.655
144 H CYS 22 HN CYS 22 -3.068 -0.009 3.042
145 HA CYS 22 HA CYS 22 -5.178 -1.771 2.031
146 HB2 CYS 22 HB2 CYS 22 -2.242 -1.881 1.414
147 HB3 CYS 22 HB1 CYS 22 -3.182 -3.369 1.473
148 H CYS 23 HN CYS 23 -5.091 -3.931 2.978
149 HA CYS 23 HA CYS 23 -4.322 -3.884 5.752
150 HB2 CYS 23 HB2 CYS 23 -5.418 -6.007 5.927
151 HB3 CYS 23 HB1 CYS 23 -6.402 -5.045 4.827
152 H ASP 24 HN ASP 24 -2.955 -5.771 6.606
153 HA ASP 24 HA ASP 24 -0.391 -5.492 5.559
154 HB2 ASP 24 HB2 ASP 24 -1.532 -7.581 7.404
155 HB3 ASP 24 HB1 ASP 24 0.172 -7.537 6.967
156 H THR 25 HN THR 25 -2.749 -8.047 5.045
157 HA THR 25 HA THR 25 -1.155 -9.864 3.666
158 HB THR 25 HB THR 25 -4.095 -9.359 3.203
159 HG1 THR 25 HG1 THR 25 -2.677 -10.549 5.324
160 HG21 THR 25 HG21 THR 25 -3.079 -10.915 1.611
161 HG22 THR 25 HG22 THR 25 -4.162 -11.762 2.714
162 HG23 THR 25 HG23 THR 25 -2.418 -11.857 2.947
163 H CYS 26 HN CYS 26 -3.207 -7.235 2.360
164 HA CYS 26 HA CYS 26 -2.470 -7.826 -0.347
165 HB2 CYS 26 HB2 CYS 26 -3.831 -5.400 0.823
166 HB3 CYS 26 HB1 CYS 26 -3.605 -5.670 -0.896
167 H SER 27 HN SER 27 -1.266 -5.669 2.140
168 HA SER 27 HA SER 27 0.200 -3.940 0.458
169 HB2 SER 27 HB2 SER 27 -0.316 -3.357 2.779
170 HB3 SER 27 HB1 SER 27 0.695 -4.684 3.347
171 HG SER 27 HG SER 27 2.277 -3.321 3.265
172 H ARG 28 HN ARG 28 0.845 -7.131 1.689
173 HA ARG 28 HA ARG 28 3.634 -7.040 1.003
174 HB2 ARG 28 HB2 ARG 28 1.813 -9.303 1.818
175 HB3 ARG 28 HB1 ARG 28 3.527 -9.514 1.479
176 HG2 ARG 28 HG2 ARG 28 4.096 -8.003 3.292
177 HG3 ARG 28 HG1 ARG 28 2.384 -7.711 3.607
178 HD2 ARG 28 HD2 ARG 28 3.229 -9.304 5.200
179 HD3 ARG 28 HD1 ARG 28 2.106 -10.113 4.109
180 HE ARG 28 HE ARG 28 4.714 -10.407 3.110
181 HH11 ARG 28 HH11 ARG 28 2.716 -11.478 5.771
182 HH12 ARG 28 HH12 ARG 28 3.588 -12.961 6.000
183 HH21 ARG 28 HH21 ARG 28 5.875 -12.357 3.399
184 HH22 ARG 28 HH22 ARG 28 5.387 -13.466 4.643
185 H VAL 29 HN VAL 29 0.723 -7.629 -0.682
186 HA VAL 29 HA VAL 29 2.104 -9.133 -2.780
187 HB VAL 29 HB VAL 29 -0.853 -8.577 -2.554
188 HG11 VAL 29 HG11 VAL 29 0.686 -10.550 -4.235
189 HG12 VAL 29 HG12 VAL 29 -0.102 -9.084 -4.818
190 HG13 VAL 29 HG13 VAL 29 -1.069 -10.405 -4.164
191 HG21 VAL 29 HG21 VAL 29 -0.149 -9.893 -0.650
192 HG22 VAL 29 HG22 VAL 29 0.716 -11.007 -1.708
193 HG23 VAL 29 HG23 VAL 29 -1.043 -10.908 -1.781
194 H PHE 30 HN PHE 30 0.073 -6.233 -2.363
195 HA PHE 30 HA PHE 30 0.989 -5.332 -5.024
196 HB2 PHE 30 HB2 PHE 30 -1.614 -4.549 -3.685
197 HB3 PHE 30 HB1 PHE 30 -1.105 -4.156 -5.322
198 HD1 PHE 30 HD1 PHE 30 -0.638 -6.274 -6.859
199 HD2 PHE 30 HD2 PHE 30 -3.077 -6.272 -3.371
200 HE1 PHE 30 HE1 PHE 30 -1.816 -8.267 -7.684
201 HE2 PHE 30 HE2 PHE 30 -4.254 -8.269 -4.185
202 HZ PHE 30 HZ PHE 30 -3.626 -9.269 -6.347
203 H HIS 31 HN HIS 31 2.524 -4.860 -2.820
204 HA HIS 31 HA HIS 31 2.037 -2.774 -1.133
205 HB2 HIS 31 HB2 HIS 31 4.028 -4.255 -1.088
206 HB3 HIS 31 HB1 HIS 31 4.691 -3.361 -2.452
207 HD1 HIS 31 HD1 HIS 31 3.398 -2.407 1.036
208 HD2 HIS 31 HD2 HIS 31 6.471 -1.559 -1.634
209 HE1 HIS 31 HE1 HIS 31 4.928 -0.742 2.203
210 H GLU 32 HN GLU 32 3.321 -2.523 -4.418
211 HA GLU 32 HA GLU 32 3.983 0.228 -4.232
212 HB2 GLU 32 HB2 GLU 32 3.519 -1.532 -6.642
213 HB3 GLU 32 HB1 GLU 32 4.199 0.089 -6.706
214 HG2 GLU 32 HG2 GLU 32 6.142 -0.580 -5.529
215 HG3 GLU 32 HG1 GLU 32 5.431 -2.136 -5.104
216 H ASP 33 HN ASP 33 1.170 -1.490 -5.527
217 HA ASP 33 HA ASP 33 -0.104 0.923 -6.428
218 HB2 ASP 33 HB2 ASP 33 -1.058 -1.925 -6.171
219 HB3 ASP 33 HB1 ASP 33 -2.136 -0.622 -6.654
220 H CYS 34 HN CYS 34 0.042 -0.868 -3.503
221 HA CYS 34 HA CYS 34 -2.392 0.098 -2.357
222 HB2 CYS 34 HB2 CYS 34 -0.002 -1.399 -1.333
223 HB3 CYS 34 HB1 CYS 34 -1.173 -0.729 -0.195
224 H HIS 35 HN HIS 35 0.433 1.667 -3.045
225 HA HIS 35 HA HIS 35 0.209 3.532 -0.814
226 HB2 HIS 35 HB2 HIS 35 2.184 3.181 -3.047
227 HB3 HIS 35 HB1 HIS 35 2.138 4.676 -2.107
228 HD1 HIS 35 HD1 HIS 35 2.867 4.510 0.408
229 HD2 HIS 35 HD2 HIS 35 3.089 0.940 -1.702
230 HE1 HIS 35 HE1 HIS 35 4.114 2.883 1.892
231 H ILE 36 HN ILE 36 -1.304 3.029 -3.657
232 HA ILE 36 HA ILE 36 -1.803 5.889 -4.141
233 HB ILE 36 HB ILE 36 -2.271 3.565 -6.023
234 HG12 ILE 36 HG12 ILE 36 -0.063 5.638 -6.035
235 HG13 ILE 36 HG11 ILE 36 0.128 3.937 -5.626
236 HG21 ILE 36 HG21 ILE 36 -2.373 6.534 -6.540
237 HG22 ILE 36 HG22 ILE 36 -3.771 5.471 -6.393
238 HG23 ILE 36 HG23 ILE 36 -2.639 5.261 -7.728
239 HD11 ILE 36 HD11 ILE 36 -0.715 5.009 -8.308
240 HD12 ILE 36 HD12 ILE 36 -0.488 3.311 -7.897
241 HD13 ILE 36 HD13 ILE 36 0.888 4.412 -7.890
242 HA PRO 37 HA PRO 37 -3.147 7.226 -4.717
243 HB2 PRO 37 HB2 PRO 37 -5.328 8.681 -3.580
244 HB3 PRO 37 HB1 PRO 37 -5.064 8.310 -5.291
245 HG2 PRO 37 HG2 PRO 37 -7.135 7.308 -3.746
246 HG3 PRO 37 HG1 PRO 37 -6.546 6.582 -5.253
247 HD2 PRO 37 HD2 PRO 37 -5.929 5.830 -2.416
248 HD3 PRO 37 HD1 PRO 37 -6.208 4.781 -3.827
249 HA PRO 38 HA PRO 38 -1.089 8.175 -0.869
250 HB2 PRO 38 HB2 PRO 38 -0.661 10.802 -2.204
251 HB3 PRO 38 HB1 PRO 38 0.512 9.713 -1.454
252 HG2 PRO 38 HG2 PRO 38 0.337 9.877 -4.104
253 HG3 PRO 38 HG1 PRO 38 0.600 8.311 -3.306
254 HD2 PRO 38 HD2 PRO 38 -1.910 9.434 -4.505
255 HD3 PRO 38 HD1 PRO 38 -1.296 7.765 -4.525
256 H VAL 39 HN VAL 39 -1.244 9.646 0.918
257 HA VAL 39 HA VAL 39 -3.939 10.548 1.267
258 HB VAL 39 HB VAL 39 -2.988 9.429 3.127
259 HG11 VAL 39 HG11 VAL 39 -1.070 10.419 4.406
260 HG12 VAL 39 HG12 VAL 39 -0.776 11.458 3.010
261 HG13 VAL 39 HG13 VAL 39 -0.657 9.707 2.850
262 HG21 VAL 39 HG21 VAL 39 -3.275 11.077 4.924
263 HG22 VAL 39 HG22 VAL 39 -4.524 11.213 3.687
264 HG23 VAL 39 HG23 VAL 39 -3.196 12.372 3.729
265 H GLU 40 HN GLU 40 -4.306 12.320 0.032
266 HA GLU 40 HA GLU 40 -2.770 14.732 0.651
267 HB2 GLU 40 HB2 GLU 40 -4.677 13.996 -1.532
268 HB3 GLU 40 HB1 GLU 40 -4.534 15.686 -1.086
269 HG2 GLU 40 HG2 GLU 40 -3.107 15.238 -2.945
270 HG3 GLU 40 HG1 GLU 40 -2.114 15.571 -1.534
271 H ALA 41 HN ALA 41 -5.659 13.109 1.394
272 HA ALA 41 HA ALA 41 -6.610 15.459 2.883
273 HB1 ALA 41 HB1 ALA 41 -8.347 13.355 1.604
274 HB2 ALA 41 HB2 ALA 41 -8.067 14.972 0.963
275 HB3 ALA 41 HB3 ALA 41 -8.896 14.767 2.504
276 H GLU 42 HN GLU 42 -7.335 11.958 2.770
277 HA GLU 42 HA GLU 42 -6.910 11.879 5.679
278 HB2 GLU 42 HB2 GLU 42 -9.239 10.677 4.176
279 HB3 GLU 42 HB1 GLU 42 -8.882 10.373 5.869
280 HG2 GLU 42 HG2 GLU 42 -9.188 12.752 6.352
281 HG3 GLU 42 HG1 GLU 42 -9.568 13.036 4.653
282 H ARG 43 HN ARG 43 -6.252 9.897 6.542
283 HA ARG 43 HA ARG 43 -5.544 7.823 4.586
284 HB2 ARG 43 HB2 ARG 43 -3.522 7.337 5.939
285 HB3 ARG 43 HB1 ARG 43 -3.493 8.935 5.212
286 HG2 ARG 43 HG2 ARG 43 -4.089 9.947 7.331
287 HG3 ARG 43 HG1 ARG 43 -4.226 8.353 8.074
288 HD2 ARG 43 HD2 ARG 43 -1.855 7.949 7.683
289 HD3 ARG 43 HD1 ARG 43 -1.705 9.521 6.897
290 HE ARG 43 HE ARG 43 -2.691 10.165 9.322
291 HH11 ARG 43 HH11 ARG 43 0.037 8.159 8.377
292 HH12 ARG 43 HH12 ARG 43 0.960 8.556 9.797
293 HH21 ARG 43 HH21 ARG 43 -1.465 10.668 11.172
294 HH22 ARG 43 HH22 ARG 43 0.113 9.973 11.373
295 H THR 44 HN THR 44 -6.493 5.947 5.003
296 HA THR 44 HA THR 44 -7.208 5.351 7.795
297 HB THR 44 HB THR 44 -9.166 4.084 6.890
298 HG1 THR 44 HG1 THR 44 -8.300 3.908 4.710
299 HG21 THR 44 HG21 THR 44 -9.081 7.020 6.180
300 HG22 THR 44 HG22 THR 44 -9.447 6.354 7.771
301 HG23 THR 44 HG23 THR 44 -10.542 6.062 6.418
302 HA PRO 45 HA PRO 45 -4.381 2.011 6.251
303 HB2 PRO 45 HB2 PRO 45 -3.534 1.963 9.068
304 HB3 PRO 45 HB1 PRO 45 -2.559 2.159 7.605
305 HG2 PRO 45 HG2 PRO 45 -2.989 4.202 9.300
306 HG3 PRO 45 HG1 PRO 45 -2.867 4.448 7.547
307 HD2 PRO 45 HD2 PRO 45 -5.321 4.312 9.277
308 HD3 PRO 45 HD1 PRO 45 -4.949 5.428 7.942
309 H TRP 46 HN TRP 46 -6.822 2.223 8.625
310 HA TRP 46 HA TRP 46 -6.787 -0.620 9.237
311 HB2 TRP 46 HB2 TRP 46 -8.783 -0.075 10.654
312 HB3 TRP 46 HB1 TRP 46 -7.344 0.848 11.082
313 HD1 TRP 46 HD1 TRP 46 -10.836 1.263 9.569
314 HE1 TRP 46 HE1 TRP 46 -11.431 3.766 9.532
315 HE3 TRP 46 HE3 TRP 46 -6.310 3.197 10.970
316 HZ2 TRP 46 HZ2 TRP 46 -10.154 6.227 10.024
317 HZ3 TRP 46 HZ3 TRP 46 -6.087 5.642 11.161
318 HH2 TRP 46 HH2 TRP 46 -7.963 7.119 10.695
319 H ASN 47 HN ASN 47 -7.677 1.024 6.633
320 HA ASN 47 HA ASN 47 -9.938 -0.771 6.067
321 HB2 ASN 47 HB2 ASN 47 -10.754 1.568 6.390
322 HB3 ASN 47 HB1 ASN 47 -9.689 2.090 5.087
323 HD21 ASN 47 HD21 ASN 47 -11.336 2.800 3.770
324 HD22 ASN 47 HD22 ASN 47 -12.453 1.724 2.998
325 H CYS 48 HN CYS 48 -9.549 -2.035 4.342
326 HA CYS 48 HA CYS 48 -7.229 -1.371 2.698
327 HB2 CYS 48 HB2 CYS 48 -7.358 -3.596 3.840
328 HB3 CYS 48 HB1 CYS 48 -8.777 -3.972 2.870
329 H ILE 49 HN ILE 49 -7.511 -0.538 0.731
330 HA ILE 49 HA ILE 49 -10.132 -0.411 -0.442
331 HB ILE 49 HB ILE 49 -8.964 0.733 -2.361
332 HG12 ILE 49 HG12 ILE 49 -6.566 0.690 -0.529
333 HG13 ILE 49 HG11 ILE 49 -6.732 -0.342 -1.947
334 HG21 ILE 49 HG21 ILE 49 -10.018 2.007 -0.590
335 HG22 ILE 49 HG22 ILE 49 -8.527 2.800 -1.101
336 HG23 ILE 49 HG23 ILE 49 -8.564 1.877 0.400
337 HD11 ILE 49 HD11 ILE 49 -6.823 1.640 -3.369
338 HD12 ILE 49 HD12 ILE 49 -5.343 1.603 -2.407
339 HD13 ILE 49 HD13 ILE 49 -6.671 2.669 -1.944
340 H PHE 50 HN PHE 50 -7.399 -2.481 -0.742
341 HA PHE 50 HA PHE 50 -8.128 -3.438 -3.367
342 HB2 PHE 50 HB2 PHE 50 -5.882 -3.990 -1.505
343 HB3 PHE 50 HB1 PHE 50 -6.356 -5.299 -2.594
344 HD1 PHE 50 HD2 PHE 50 -5.294 -1.757 -2.493
345 HD2 PHE 50 HD1 PHE 50 -5.790 -5.252 -4.862
346 HE1 PHE 50 HE2 PHE 50 -4.090 -0.669 -4.336
347 HE2 PHE 50 HE1 PHE 50 -4.589 -4.173 -6.716
348 HZ PHE 50 HZ PHE 50 -3.738 -1.876 -6.456
349 H CYS 51 HN CYS 51 -8.627 -4.398 -0.037
350 HA CYS 51 HA CYS 51 -9.762 -6.928 -0.722
351 HB2 CYS 51 HB2 CYS 51 -9.713 -5.274 1.775
352 HB3 CYS 51 HB1 CYS 51 -10.853 -6.606 1.650
353 H ARG 52 HN ARG 52 -11.068 -3.659 -0.280
354 HA ARG 52 HA ARG 52 -13.771 -4.495 -0.579
355 HB2 ARG 52 HB2 ARG 52 -12.444 -1.795 -0.695
356 HB3 ARG 52 HB1 ARG 52 -14.165 -2.005 -0.963
357 HG2 ARG 52 HG2 ARG 52 -12.704 -2.809 1.548
358 HG3 ARG 52 HG1 ARG 52 -13.604 -1.308 1.335
359 HD2 ARG 52 HD2 ARG 52 -15.082 -2.749 2.459
360 HD3 ARG 52 HD1 ARG 52 -15.616 -2.775 0.781
361 HE ARG 52 HE ARG 52 -13.796 -4.886 1.651
362 HH11 ARG 52 HH11 ARG 52 -17.060 -3.925 0.800
363 HH12 ARG 52 HH12 ARG 52 -17.646 -5.556 0.703
364 HH21 ARG 52 HH21 ARG 52 -14.558 -7.029 1.492
365 HH22 ARG 52 HH22 ARG 52 -16.218 -7.321 1.078
366 H MET 53 HN MET 53 -11.571 -4.909 -2.818
367 HA MET 53 HA MET 53 -13.069 -3.800 -5.049
368 HB2 MET 53 HB2 MET 53 -11.361 -4.544 -6.472
369 HB3 MET 53 HB1 MET 53 -10.509 -4.091 -5.006
370 HG2 MET 53 HG2 MET 53 -10.397 -6.440 -4.341
371 HG3 MET 53 HG1 MET 53 -11.263 -6.894 -5.807
372 HE1 MET 53 HE1 MET 53 -9.272 -8.637 -6.302
373 HE2 MET 53 HE2 MET 53 -8.422 -8.094 -4.855
374 HE3 MET 53 HE3 MET 53 -7.575 -8.165 -6.400
375 H LYS 54 HN LYS 54 -13.457 -6.309 -3.021
376 HA LYS 54 HA LYS 54 -14.701 -8.038 -5.043
377 HB2 LYS 54 HB2 LYS 54 -12.877 -9.011 -3.599
378 HB3 LYS 54 HB1 LYS 54 -13.903 -8.729 -2.203
379 HG2 LYS 54 HG2 LYS 54 -15.598 -10.246 -3.224
380 HG3 LYS 54 HG1 LYS 54 -14.431 -10.605 -4.501
381 HD2 LYS 54 HD2 LYS 54 -12.856 -11.440 -2.833
382 HD3 LYS 54 HD1 LYS 54 -14.002 -11.059 -1.547
383 HE2 LYS 54 HE2 LYS 54 -14.102 -13.417 -2.053
384 HE3 LYS 54 HE1 LYS 54 -15.604 -12.642 -2.544
385 HZ1 LYS 54 HZ1 LYS 54 -14.767 -14.223 -4.196
386 HZ2 LYS 54 HZ2 LYS 54 -13.360 -13.304 -4.374
387 HZ3 LYS 54 HZ3 LYS 54 -14.855 -12.655 -4.818
388 H GLU 55 HN GLU 55 -16.287 -6.045 -4.726
389 HA GLU 55 HA GLU 55 -18.177 -6.727 -2.575
390 HB2 GLU 55 HB2 GLU 55 -18.005 -4.152 -4.143
391 HB3 GLU 55 HB1 GLU 55 -19.088 -4.486 -2.799
392 HG2 GLU 55 HG2 GLU 55 -17.063 -4.808 -1.366
393 HG3 GLU 55 HG1 GLU 55 -16.098 -4.215 -2.716
394 H SER 56 HN SER 56 -18.434 -8.492 -4.370
395 HA SER 56 HA SER 56 -20.660 -7.657 -6.098
396 HB2 SER 56 HB2 SER 56 -18.627 -9.811 -6.738
397 HB3 SER 56 HB1 SER 56 -19.922 -9.235 -7.786
398 HG SER 56 HG SER 56 -18.853 -7.123 -7.627
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 11.924 -13.067 6.973
2 H2 GLY 1 HT2 GLY 1 10.477 -12.965 7.836
3 H3 GLY 1 HT3 GLY 1 11.450 -14.341 7.976
4 HA2 GLY 1 HA1 GLY 1 11.686 -12.954 9.920
5 HA3 GLY 1 HA2 GLY 1 13.191 -13.049 9.015
6 H ALA 2 HN ALA 2 14.130 -11.125 9.416
7 HA ALA 2 HA ALA 2 12.475 -8.709 9.298
8 HB1 ALA 2 HB1 ALA 2 15.296 -9.038 10.311
9 HB2 ALA 2 HB2 ALA 2 13.843 -9.064 11.310
10 HB3 ALA 2 HB3 ALA 2 14.296 -7.593 10.449
11 H MET 3 HN MET 3 13.869 -10.394 7.046
12 HA MET 3 HA MET 3 14.526 -8.043 5.469
13 HB2 MET 3 HB2 MET 3 16.677 -8.798 6.497
14 HB3 MET 3 HB1 MET 3 16.480 -10.344 5.685
15 HG2 MET 3 HG2 MET 3 18.024 -8.888 4.485
16 HG3 MET 3 HG1 MET 3 16.597 -9.253 3.518
17 HE1 MET 3 HE1 MET 3 17.580 -5.602 2.435
18 HE2 MET 3 HE2 MET 3 17.229 -7.234 1.864
19 HE3 MET 3 HE3 MET 3 18.655 -6.934 2.856
20 H GLY 4 HN GLY 4 12.283 -9.338 5.156
21 HA2 GLY 4 HA2 GLY 4 12.730 -11.070 2.802
22 HA3 GLY 4 HA1 GLY 4 11.367 -11.262 3.895
23 H MET 5 HN MET 5 10.243 -8.954 4.216
24 HA MET 5 HA MET 5 9.264 -8.291 1.573
25 HB2 MET 5 HB2 MET 5 8.386 -7.278 4.286
26 HB3 MET 5 HB1 MET 5 7.566 -6.960 2.766
27 HG2 MET 5 HG2 MET 5 6.344 -8.664 3.831
28 HG3 MET 5 HG1 MET 5 7.252 -9.451 2.543
29 HE1 MET 5 HE1 MET 5 7.192 -12.230 5.284
30 HE2 MET 5 HE2 MET 5 6.870 -11.838 3.594
31 HE3 MET 5 HE3 MET 5 5.899 -11.105 4.871
32 H ARG 6 HN ARG 6 11.716 -7.496 1.468
33 HA ARG 6 HA ARG 6 11.978 -4.742 2.393
34 HB2 ARG 6 HB2 ARG 6 13.850 -6.424 2.582
35 HB3 ARG 6 HB1 ARG 6 13.964 -6.400 0.831
36 HG2 ARG 6 HG2 ARG 6 15.665 -4.998 1.848
37 HG3 ARG 6 HG1 ARG 6 14.544 -4.037 0.884
38 HD2 ARG 6 HD2 ARG 6 15.088 -2.951 3.016
39 HD3 ARG 6 HD1 ARG 6 13.374 -3.340 2.893
40 HE ARG 6 HE ARG 6 14.399 -5.478 4.196
41 HH11 ARG 6 HH11 ARG 6 14.609 -2.024 4.735
42 HH12 ARG 6 HH12 ARG 6 14.754 -2.173 6.458
43 HH21 ARG 6 HH21 ARG 6 14.589 -5.681 6.462
44 HH22 ARG 6 HH22 ARG 6 14.753 -4.255 7.439
45 H ASN 7 HN ASN 7 9.995 -5.342 0.449
46 HA ASN 7 HA ASN 7 10.948 -4.482 -2.130
47 HB2 ASN 7 HB2 ASN 7 8.980 -6.048 -1.771
48 HB3 ASN 7 HB1 ASN 7 8.070 -4.651 -1.208
49 HD21 ASN 7 HD21 ASN 7 10.414 -4.726 -3.842
50 HD22 ASN 7 HD22 ASN 7 9.284 -4.333 -5.090
51 H LEU 8 HN LEU 8 10.031 -3.024 0.756
52 HA LEU 8 HA LEU 8 9.018 -0.573 -0.339
53 HB2 LEU 8 HB2 LEU 8 9.088 0.227 2.000
54 HB3 LEU 8 HB1 LEU 8 8.208 -1.274 1.804
55 HG LEU 8 HG LEU 8 10.589 -2.291 2.485
56 HD11 LEU 8 HD11 LEU 8 11.676 -0.114 2.682
57 HD12 LEU 8 HD12 LEU 8 11.615 -0.943 4.237
58 HD13 LEU 8 HD13 LEU 8 10.492 0.372 3.894
59 HD21 LEU 8 HD21 LEU 8 9.730 -2.453 4.770
60 HD22 LEU 8 HD22 LEU 8 8.466 -2.756 3.578
61 HD23 LEU 8 HD23 LEU 8 8.539 -1.203 4.409
62 H ASP 9 HN ASP 9 12.042 -1.862 -0.150
63 HA ASP 9 HA ASP 9 13.513 0.525 0.526
64 HB2 ASP 9 HB2 ASP 9 14.446 -1.723 0.969
65 HB3 ASP 9 HB1 ASP 9 14.498 -2.031 -0.763
66 H GLU 10 HN GLU 10 12.462 -1.135 -2.338
67 HA GLU 10 HA GLU 10 13.635 0.918 -4.064
68 HB2 GLU 10 HB2 GLU 10 12.195 -1.629 -4.827
69 HB3 GLU 10 HB1 GLU 10 13.108 -0.578 -5.904
70 HG2 GLU 10 HG2 GLU 10 15.162 -1.122 -4.790
71 HG3 GLU 10 HG1 GLU 10 14.298 -2.051 -3.567
72 H CYS 11 HN CYS 11 11.246 1.038 -2.233
73 HA CYS 11 HA CYS 11 9.162 1.849 -4.133
74 HB2 CYS 11 HB2 CYS 11 8.556 0.209 -2.375
75 HB3 CYS 11 HB1 CYS 11 9.030 1.363 -1.147
76 H GLU 12 HN GLU 12 9.714 3.853 -4.728
77 HA GLU 12 HA GLU 12 11.226 5.718 -3.376
78 HB2 GLU 12 HB2 GLU 12 9.005 6.309 -5.329
79 HB3 GLU 12 HB1 GLU 12 10.338 7.375 -4.921
80 HG2 GLU 12 HG2 GLU 12 11.913 5.789 -5.902
81 HG3 GLU 12 HG1 GLU 12 10.572 4.717 -6.312
82 H VAL 13 HN VAL 13 7.730 5.346 -3.420
83 HA VAL 13 HA VAL 13 7.219 7.719 -1.971
84 HB VAL 13 HB VAL 13 5.546 6.773 -3.435
85 HG11 VAL 13 HG11 VAL 13 4.369 4.728 -2.932
86 HG12 VAL 13 HG12 VAL 13 5.373 4.474 -1.507
87 HG13 VAL 13 HG13 VAL 13 6.091 4.411 -3.116
88 HG21 VAL 13 HG21 VAL 13 3.602 6.920 -2.000
89 HG22 VAL 13 HG22 VAL 13 4.800 8.128 -1.527
90 HG23 VAL 13 HG23 VAL 13 4.611 6.651 -0.582
91 H CYS 14 HN CYS 14 7.885 4.416 -1.005
92 HA CYS 14 HA CYS 14 7.105 4.726 1.717
93 HB2 CYS 14 HB2 CYS 14 8.559 2.717 0.150
94 HB3 CYS 14 HB1 CYS 14 9.072 2.840 1.827
95 H ARG 15 HN ARG 15 9.933 5.509 -0.116
96 HA ARG 15 HA ARG 15 11.692 5.939 2.075
97 HB2 ARG 15 HB2 ARG 15 11.777 7.236 -0.651
98 HB3 ARG 15 HB1 ARG 15 13.105 7.137 0.496
99 HG2 ARG 15 HG2 ARG 15 13.129 4.709 0.267
100 HG3 ARG 15 HG1 ARG 15 11.793 4.804 -0.879
101 HD2 ARG 15 HD2 ARG 15 14.587 5.885 -1.214
102 HD3 ARG 15 HD1 ARG 15 13.826 4.583 -2.126
103 HE ARG 15 HE ARG 15 12.453 7.105 -2.345
104 HH11 ARG 15 HH11 ARG 15 14.987 5.083 -3.669
105 HH12 ARG 15 HH12 ARG 15 15.034 5.920 -5.187
106 HH21 ARG 15 HH21 ARG 15 12.503 8.196 -4.352
107 HH22 ARG 15 HH22 ARG 15 13.620 7.688 -5.577
108 H ASP 16 HN ASP 16 9.425 7.927 0.312
109 HA ASP 16 HA ASP 16 10.009 10.315 1.790
110 HB2 ASP 16 HB2 ASP 16 7.784 9.569 -0.105
111 HB3 ASP 16 HB1 ASP 16 7.876 11.142 0.681
112 H GLY 17 HN GLY 17 8.577 7.547 2.746
113 HA2 GLY 17 HA2 GLY 17 7.498 7.086 4.744
114 HA3 GLY 17 HA1 GLY 17 7.389 8.818 5.039
115 H GLY 18 HN GLY 18 6.221 7.301 2.112
116 HA2 GLY 18 HA2 GLY 18 3.665 8.427 2.257
117 HA3 GLY 18 HA1 GLY 18 4.122 7.083 1.230
118 H GLU 19 HN GLU 19 1.613 7.202 2.211
119 HA GLU 19 HA GLU 19 1.575 5.371 4.507
120 HB2 GLU 19 HB2 GLU 19 -0.599 7.156 3.411
121 HB3 GLU 19 HB1 GLU 19 -0.800 6.058 4.771
122 HG2 GLU 19 HG2 GLU 19 1.118 7.354 5.862
123 HG3 GLU 19 HG1 GLU 19 0.856 8.555 4.600
124 H LEU 20 HN LEU 20 0.581 3.448 4.400
125 HA LEU 20 HA LEU 20 -0.072 2.415 1.769
126 HB2 LEU 20 HB2 LEU 20 0.307 1.201 4.488
127 HB3 LEU 20 HB1 LEU 20 -0.414 0.278 3.184
128 HG LEU 20 HG LEU 20 2.291 1.579 2.912
129 HD11 LEU 20 HD11 LEU 20 3.260 -0.600 3.464
130 HD12 LEU 20 HD12 LEU 20 1.654 -1.210 3.866
131 HD13 LEU 20 HD13 LEU 20 2.375 0.079 4.830
132 HD21 LEU 20 HD21 LEU 20 1.203 0.917 0.834
133 HD22 LEU 20 HD22 LEU 20 0.928 -0.701 1.475
134 HD23 LEU 20 HD23 LEU 20 2.571 -0.140 1.176
135 H PHE 21 HN PHE 21 -2.084 1.735 1.118
136 HA PHE 21 HA PHE 21 -4.314 2.343 2.955
137 HB2 PHE 21 HB2 PHE 21 -4.431 2.252 -0.075
138 HB3 PHE 21 HB1 PHE 21 -5.653 2.901 1.020
139 HD1 PHE 21 HD1 PHE 21 -4.958 4.906 2.468
140 HD2 PHE 21 HD2 PHE 21 -2.819 3.665 -1.000
141 HE1 PHE 21 HE1 PHE 21 -3.984 7.151 2.268
142 HE2 PHE 21 HE2 PHE 21 -1.838 5.908 -1.196
143 HZ PHE 21 HZ PHE 21 -2.264 7.584 0.479
144 H CYS 22 HN CYS 22 -2.889 -0.085 2.994
145 HA CYS 22 HA CYS 22 -4.981 -1.962 2.183
146 HB2 CYS 22 HB2 CYS 22 -2.088 -1.998 1.384
147 HB3 CYS 22 HB1 CYS 22 -2.996 -3.504 1.491
148 H CYS 23 HN CYS 23 -4.861 -4.027 3.244
149 HA CYS 23 HA CYS 23 -4.047 -3.989 5.975
150 HB2 CYS 23 HB2 CYS 23 -4.657 -6.472 4.356
151 HB3 CYS 23 HB1 CYS 23 -4.887 -6.224 6.086
152 H ASP 24 HN ASP 24 -2.484 -5.683 6.888
153 HA ASP 24 HA ASP 24 0.063 -5.436 5.836
154 HB2 ASP 24 HB2 ASP 24 -1.042 -7.664 7.557
155 HB3 ASP 24 HB1 ASP 24 0.669 -7.436 7.222
156 H THR 25 HN THR 25 -2.177 -8.152 5.412
157 HA THR 25 HA THR 25 -0.497 -9.663 3.726
158 HB THR 25 HB THR 25 -3.513 -9.722 3.855
159 HG1 THR 25 HG1 THR 25 -1.521 -11.073 5.388
160 HG21 THR 25 HG21 THR 25 -3.266 -12.043 3.126
161 HG22 THR 25 HG22 THR 25 -1.517 -11.839 3.042
162 HG23 THR 25 HG23 THR 25 -2.562 -10.942 1.942
163 H CYS 26 HN CYS 26 -3.158 -7.410 2.981
164 HA CYS 26 HA CYS 26 -3.086 -7.780 0.189
165 HB2 CYS 26 HB2 CYS 26 -4.009 -5.343 1.733
166 HB3 CYS 26 HB1 CYS 26 -4.423 -5.724 0.063
167 H SER 27 HN SER 27 -1.445 -5.502 2.311
168 HA SER 27 HA SER 27 -0.168 -3.993 0.283
169 HB2 SER 27 HB2 SER 27 -0.408 -3.163 2.575
170 HB3 SER 27 HB1 SER 27 0.633 -4.454 3.166
171 HG SER 27 HG SER 27 2.176 -3.083 2.834
172 H ARG 28 HN ARG 28 0.565 -7.032 1.822
173 HA ARG 28 HA ARG 28 3.301 -7.115 1.012
174 HB2 ARG 28 HB2 ARG 28 2.415 -8.371 2.950
175 HB3 ARG 28 HB1 ARG 28 1.462 -9.360 1.856
176 HG2 ARG 28 HG2 ARG 28 3.491 -10.236 0.850
177 HG3 ARG 28 HG1 ARG 28 4.468 -9.212 1.907
178 HD2 ARG 28 HD2 ARG 28 2.571 -11.377 2.804
179 HD3 ARG 28 HD1 ARG 28 4.328 -11.507 2.750
180 HE ARG 28 HE ARG 28 3.772 -9.296 4.305
181 HH11 ARG 28 HH11 ARG 28 3.014 -12.706 4.412
182 HH12 ARG 28 HH12 ARG 28 3.000 -12.776 6.144
183 HH21 ARG 28 HH21 ARG 28 3.756 -9.380 6.577
184 HH22 ARG 28 HH22 ARG 28 3.430 -10.884 7.379
185 H VAL 29 HN VAL 29 0.296 -7.777 -0.510
186 HA VAL 29 HA VAL 29 1.575 -9.322 -2.628
187 HB VAL 29 HB VAL 29 -1.346 -8.637 -2.272
188 HG11 VAL 29 HG11 VAL 29 -0.749 -9.058 -4.608
189 HG12 VAL 29 HG12 VAL 29 -1.744 -10.361 -3.962
190 HG13 VAL 29 HG13 VAL 29 -0.006 -10.587 -4.146
191 HG21 VAL 29 HG21 VAL 29 0.161 -11.173 -1.657
192 HG22 VAL 29 HG22 VAL 29 -1.593 -10.997 -1.610
193 HG23 VAL 29 HG23 VAL 29 -0.585 -10.083 -0.488
194 H PHE 30 HN PHE 30 -0.187 -6.265 -2.161
195 HA PHE 30 HA PHE 30 0.604 -5.512 -4.908
196 HB2 PHE 30 HB2 PHE 30 -1.814 -4.483 -3.405
197 HB3 PHE 30 HB1 PHE 30 -1.394 -4.159 -5.082
198 HD1 PHE 30 HD1 PHE 30 -1.398 -6.161 -6.705
199 HD2 PHE 30 HD2 PHE 30 -3.205 -6.236 -2.848
200 HE1 PHE 30 HE1 PHE 30 -2.802 -8.052 -7.401
201 HE2 PHE 30 HE2 PHE 30 -4.604 -8.136 -3.537
202 HZ PHE 30 HZ PHE 30 -4.405 -9.047 -5.815
203 H HIS 31 HN HIS 31 2.366 -5.031 -2.822
204 HA HIS 31 HA HIS 31 2.058 -2.813 -1.241
205 HB2 HIS 31 HB2 HIS 31 3.969 -4.371 -1.122
206 HB3 HIS 31 HB1 HIS 31 4.612 -3.682 -2.609
207 HD1 HIS 31 HD1 HIS 31 3.712 -2.451 0.901
208 HD2 HIS 31 HD2 HIS 31 6.420 -1.742 -2.171
209 HE1 HIS 31 HE1 HIS 31 5.363 -0.745 1.785
210 H GLU 32 HN GLU 32 3.327 -2.872 -4.553
211 HA GLU 32 HA GLU 32 4.066 -0.157 -4.636
212 HB2 GLU 32 HB2 GLU 32 3.235 -1.864 -6.987
213 HB3 GLU 32 HB1 GLU 32 4.275 -0.448 -7.026
214 HG2 GLU 32 HG2 GLU 32 5.875 -2.043 -7.113
215 HG3 GLU 32 HG1 GLU 32 5.708 -1.949 -5.364
216 H ASP 33 HN ASP 33 1.101 -1.807 -5.592
217 HA ASP 33 HA ASP 33 -0.102 0.592 -6.632
218 HB2 ASP 33 HB2 ASP 33 -1.211 -2.173 -6.135
219 HB3 ASP 33 HB1 ASP 33 -2.167 -0.850 -6.793
220 H CYS 34 HN CYS 34 0.038 -1.029 -3.592
221 HA CYS 34 HA CYS 34 -2.336 0.123 -2.484
222 HB2 CYS 34 HB2 CYS 34 -0.002 -1.395 -1.336
223 HB3 CYS 34 HB1 CYS 34 -1.224 -0.677 -0.288
224 H HIS 35 HN HIS 35 0.410 1.583 -3.396
225 HA HIS 35 HA HIS 35 0.331 3.569 -1.241
226 HB2 HIS 35 HB2 HIS 35 2.283 3.041 -3.472
227 HB3 HIS 35 HB1 HIS 35 2.309 4.548 -2.551
228 HD1 HIS 35 HD1 HIS 35 2.967 4.343 0.014
229 HD2 HIS 35 HD2 HIS 35 3.232 0.826 -2.181
230 HE1 HIS 35 HE1 HIS 35 4.245 2.700 1.455
231 H ILE 36 HN ILE 36 -1.141 2.927 -4.108
232 HA ILE 36 HA ILE 36 -1.542 5.769 -4.767
233 HB ILE 36 HB ILE 36 -1.585 3.322 -6.541
234 HG12 ILE 36 HG12 ILE 36 -0.078 4.873 -7.945
235 HG13 ILE 36 HG11 ILE 36 0.030 5.869 -6.503
236 HG21 ILE 36 HG21 ILE 36 -2.453 4.623 -8.361
237 HG22 ILE 36 HG22 ILE 36 -2.502 6.069 -7.357
238 HG23 ILE 36 HG23 ILE 36 -3.574 4.717 -7.002
239 HD11 ILE 36 HD11 ILE 36 0.968 3.950 -5.284
240 HD12 ILE 36 HD12 ILE 36 1.950 4.438 -6.664
241 HD13 ILE 36 HD13 ILE 36 0.923 3.010 -6.775
242 HA PRO 37 HA PRO 37 -2.980 7.067 -5.741
243 HB2 PRO 37 HB2 PRO 37 -5.016 8.552 -4.305
244 HB3 PRO 37 HB1 PRO 37 -4.812 8.356 -6.053
245 HG2 PRO 37 HG2 PRO 37 -6.881 7.267 -4.652
246 HG3 PRO 37 HG1 PRO 37 -6.231 6.562 -6.141
247 HD2 PRO 37 HD2 PRO 37 -5.728 5.775 -3.295
248 HD3 PRO 37 HD1 PRO 37 -5.984 4.745 -4.721
249 HA PRO 38 HA PRO 38 -0.402 7.913 -2.224
250 HB2 PRO 38 HB2 PRO 38 0.152 10.414 -3.741
251 HB3 PRO 38 HB1 PRO 38 1.279 9.226 -3.074
252 HG2 PRO 38 HG2 PRO 38 0.805 9.299 -5.695
253 HG3 PRO 38 HG1 PRO 38 0.987 7.749 -4.844
254 HD2 PRO 38 HD2 PRO 38 -1.512 9.106 -5.799
255 HD3 PRO 38 HD1 PRO 38 -1.093 7.380 -5.805
256 H VAL 39 HN VAL 39 -0.726 8.942 -0.343
257 HA VAL 39 HA VAL 39 -3.071 10.502 -0.039
258 HB VAL 39 HB VAL 39 -2.438 9.007 1.737
259 HG11 VAL 39 HG11 VAL 39 -0.063 8.968 1.595
260 HG12 VAL 39 HG12 VAL 39 -0.493 9.539 3.205
261 HG13 VAL 39 HG13 VAL 39 0.043 10.685 1.979
262 HG21 VAL 39 HG21 VAL 39 -3.723 10.967 2.359
263 HG22 VAL 39 HG22 VAL 39 -2.238 11.877 2.625
264 HG23 VAL 39 HG23 VAL 39 -2.629 10.504 3.660
265 H GLU 40 HN GLU 40 -3.295 12.548 -0.409
266 HA GLU 40 HA GLU 40 -1.022 14.365 -0.033
267 HB2 GLU 40 HB2 GLU 40 -2.043 14.457 -2.256
268 HB3 GLU 40 HB1 GLU 40 -3.621 14.735 -1.542
269 HG2 GLU 40 HG2 GLU 40 -2.704 16.855 -0.579
270 HG3 GLU 40 HG1 GLU 40 -1.266 16.593 -1.569
271 H ALA 41 HN ALA 41 -4.391 13.773 0.753
272 HA ALA 41 HA ALA 41 -4.182 14.695 3.393
273 HB1 ALA 41 HB1 ALA 41 -5.621 16.602 1.550
274 HB2 ALA 41 HB2 ALA 41 -4.085 16.914 2.355
275 HB3 ALA 41 HB3 ALA 41 -5.554 16.709 3.309
276 H GLU 42 HN GLU 42 -6.203 14.034 0.615
277 HA GLU 42 HA GLU 42 -8.523 13.515 2.328
278 HB2 GLU 42 HB2 GLU 42 -8.352 13.695 -0.682
279 HB3 GLU 42 HB1 GLU 42 -9.823 13.602 0.276
280 HG2 GLU 42 HG2 GLU 42 -9.466 15.768 1.184
281 HG3 GLU 42 HG1 GLU 42 -7.843 15.851 0.501
282 H ARG 43 HN ARG 43 -6.614 11.560 2.579
283 HA ARG 43 HA ARG 43 -7.947 9.298 1.278
284 HB2 ARG 43 HB2 ARG 43 -4.952 9.669 1.469
285 HB3 ARG 43 HB1 ARG 43 -5.738 8.172 0.993
286 HG2 ARG 43 HG2 ARG 43 -6.045 10.781 -0.471
287 HG3 ARG 43 HG1 ARG 43 -4.885 9.526 -0.905
288 HD2 ARG 43 HD2 ARG 43 -6.655 7.973 -1.371
289 HD3 ARG 43 HD1 ARG 43 -7.864 9.088 -0.739
290 HE ARG 43 HE ARG 43 -6.510 10.369 -2.820
291 HH11 ARG 43 HH11 ARG 43 -8.633 7.623 -2.377
292 HH12 ARG 43 HH12 ARG 43 -9.375 7.785 -3.937
293 HH21 ARG 43 HH21 ARG 43 -7.492 10.583 -4.882
294 HH22 ARG 43 HH22 ARG 43 -8.719 9.450 -5.362
295 H THR 44 HN THR 44 -8.272 7.569 2.578
296 HA THR 44 HA THR 44 -7.493 7.928 5.373
297 HB THR 44 HB THR 44 -9.314 6.229 5.809
298 HG1 THR 44 HG1 THR 44 -10.613 5.617 4.152
299 HG21 THR 44 HG21 THR 44 -9.708 8.617 6.115
300 HG22 THR 44 HG22 THR 44 -11.144 7.849 5.440
301 HG23 THR 44 HG23 THR 44 -10.076 8.793 4.401
302 HA PRO 45 HA PRO 45 -4.529 4.656 4.469
303 HB2 PRO 45 HB2 PRO 45 -3.791 4.949 7.298
304 HB3 PRO 45 HB1 PRO 45 -2.809 5.190 5.848
305 HG2 PRO 45 HG2 PRO 45 -3.630 7.249 7.389
306 HG3 PRO 45 HG1 PRO 45 -3.421 7.398 5.634
307 HD2 PRO 45 HD2 PRO 45 -5.939 7.073 7.228
308 HD3 PRO 45 HD1 PRO 45 -5.630 8.077 5.791
309 H TRP 46 HN TRP 46 -6.899 4.700 7.020
310 HA TRP 46 HA TRP 46 -6.426 1.899 7.674
311 HB2 TRP 46 HB2 TRP 46 -8.232 2.235 9.367
312 HB3 TRP 46 HB1 TRP 46 -6.880 3.344 9.562
313 HD1 TRP 46 HD1 TRP 46 -10.583 3.261 8.631
314 HE1 TRP 46 HE1 TRP 46 -11.511 5.659 8.682
315 HE3 TRP 46 HE3 TRP 46 -6.200 5.814 9.246
316 HZ2 TRP 46 HZ2 TRP 46 -10.521 8.278 8.948
317 HZ3 TRP 46 HZ3 TRP 46 -6.280 8.271 9.385
318 HH2 TRP 46 HH2 TRP 46 -8.390 9.473 9.235
319 H ASN 47 HN ASN 47 -7.452 2.820 5.048
320 HA ASN 47 HA ASN 47 -9.842 1.117 4.977
321 HB2 ASN 47 HB2 ASN 47 -10.569 3.451 4.727
322 HB3 ASN 47 HB1 ASN 47 -9.421 3.678 3.414
323 HD21 ASN 47 HD21 ASN 47 -11.414 0.809 3.914
324 HD22 ASN 47 HD22 ASN 47 -12.366 1.011 2.482
325 H CYS 48 HN CYS 48 -9.433 -0.609 3.773
326 HA CYS 48 HA CYS 48 -7.129 -0.605 2.002
327 HB2 CYS 48 HB2 CYS 48 -7.450 -2.456 3.619
328 HB3 CYS 48 HB1 CYS 48 -8.983 -2.847 2.855
329 H ILE 49 HN ILE 49 -7.348 -0.264 -0.091
330 HA ILE 49 HA ILE 49 -9.978 -0.141 -1.273
331 HB ILE 49 HB ILE 49 -8.650 0.466 -3.380
332 HG12 ILE 49 HG12 ILE 49 -6.418 0.739 -1.358
333 HG13 ILE 49 HG11 ILE 49 -6.491 -0.505 -2.602
334 HG21 ILE 49 HG21 ILE 49 -8.266 2.759 -2.589
335 HG22 ILE 49 HG22 ILE 49 -8.411 2.204 -0.922
336 HG23 ILE 49 HG23 ILE 49 -9.801 2.116 -2.006
337 HD11 ILE 49 HD11 ILE 49 -6.379 1.220 -4.322
338 HD12 ILE 49 HD12 ILE 49 -5.002 1.318 -3.223
339 HD13 ILE 49 HD13 ILE 49 -6.333 2.464 -3.075
340 H PHE 50 HN PHE 50 -7.346 -2.378 -1.173
341 HA PHE 50 HA PHE 50 -8.125 -3.736 -3.585
342 HB2 PHE 50 HB2 PHE 50 -5.927 -4.158 -1.604
343 HB3 PHE 50 HB1 PHE 50 -6.371 -5.463 -2.711
344 HD1 PHE 50 HD1 PHE 50 -6.034 -5.257 -5.082
345 HD2 PHE 50 HD2 PHE 50 -4.986 -2.086 -2.454
346 HE1 PHE 50 HE1 PHE 50 -4.796 -4.168 -6.901
347 HE2 PHE 50 HE2 PHE 50 -3.745 -0.988 -4.263
348 HZ PHE 50 HZ PHE 50 -3.651 -2.029 -6.497
349 H CYS 51 HN CYS 51 -8.729 -4.125 -0.163
350 HA CYS 51 HA CYS 51 -9.820 -6.716 -0.281
351 HB2 CYS 51 HB2 CYS 51 -10.021 -4.418 1.575
352 HB3 CYS 51 HB1 CYS 51 -11.341 -5.581 1.644
353 H ARG 52 HN ARG 52 -11.171 -3.569 -1.121
354 HA ARG 52 HA ARG 52 -13.758 -4.734 -1.688
355 HB2 ARG 52 HB2 ARG 52 -12.732 -1.940 -2.229
356 HB3 ARG 52 HB1 ARG 52 -14.400 -2.471 -2.383
357 HG2 ARG 52 HG2 ARG 52 -14.446 -2.954 0.031
358 HG3 ARG 52 HG1 ARG 52 -12.793 -2.352 0.160
359 HD2 ARG 52 HD2 ARG 52 -15.193 -0.769 -0.748
360 HD3 ARG 52 HD1 ARG 52 -14.413 -0.655 0.828
361 HE ARG 52 HE ARG 52 -12.813 -0.094 -1.557
362 HH11 ARG 52 HH11 ARG 52 -14.483 1.091 1.284
363 HH12 ARG 52 HH12 ARG 52 -13.701 2.638 1.249
364 HH21 ARG 52 HH21 ARG 52 -11.789 1.940 -1.605
365 HH22 ARG 52 HH22 ARG 52 -12.155 3.118 -0.383
366 H MET 53 HN MET 53 -10.824 -4.402 -3.264
367 HA MET 53 HA MET 53 -12.090 -4.688 -5.907
368 HB2 MET 53 HB2 MET 53 -9.360 -3.631 -5.164
369 HB3 MET 53 HB1 MET 53 -9.824 -4.025 -6.811
370 HG2 MET 53 HG2 MET 53 -11.580 -2.353 -6.739
371 HG3 MET 53 HG1 MET 53 -11.175 -1.981 -5.065
372 HE1 MET 53 HE1 MET 53 -11.360 0.168 -7.489
373 HE2 MET 53 HE2 MET 53 -9.976 1.186 -7.094
374 HE3 MET 53 HE3 MET 53 -11.035 0.604 -5.812
375 H LYS 54 HN LYS 54 -11.626 -6.734 -3.858
376 HA LYS 54 HA LYS 54 -9.492 -8.379 -4.824
377 HB2 LYS 54 HB2 LYS 54 -10.333 -10.070 -3.258
378 HB3 LYS 54 HB1 LYS 54 -10.181 -8.503 -2.475
379 HG2 LYS 54 HG2 LYS 54 -12.588 -8.147 -2.718
380 HG3 LYS 54 HG1 LYS 54 -12.742 -9.734 -3.477
381 HD2 LYS 54 HD2 LYS 54 -11.906 -10.793 -1.437
382 HD3 LYS 54 HD1 LYS 54 -11.732 -9.207 -0.682
383 HE2 LYS 54 HE2 LYS 54 -14.311 -10.467 -1.614
384 HE3 LYS 54 HE1 LYS 54 -13.777 -10.302 0.057
385 HZ1 LYS 54 HZ1 LYS 54 -13.809 -7.878 -0.249
386 HZ2 LYS 54 HZ2 LYS 54 -15.335 -8.575 -0.459
387 HZ3 LYS 54 HZ3 LYS 54 -14.438 -8.089 -1.807
388 H GLU 55 HN GLU 55 -9.623 -10.226 -6.054
389 HA GLU 55 HA GLU 55 -11.856 -10.270 -7.905
390 HB2 GLU 55 HB2 GLU 55 -9.511 -10.332 -8.696
391 HB3 GLU 55 HB1 GLU 55 -9.300 -11.879 -7.892
392 HG2 GLU 55 HG2 GLU 55 -10.988 -12.870 -9.346
393 HG3 GLU 55 HG1 GLU 55 -11.206 -11.314 -10.150
394 H SER 56 HN SER 56 -13.490 -11.123 -6.582
395 HA SER 56 HA SER 56 -13.334 -14.016 -6.220
396 HB2 SER 56 HB2 SER 56 -12.713 -12.929 -4.037
397 HB3 SER 56 HB1 SER 56 -14.304 -12.174 -4.015
398 HG SER 56 HG SER 56 -13.733 -14.961 -3.990
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 17.662 -9.453 11.549
2 H2 GLY 1 HT2 GLY 1 17.486 -11.121 11.747
3 H3 GLY 1 HT3 GLY 1 16.341 -10.249 10.860
4 HA2 GLY 1 HA1 GLY 1 19.173 -10.686 10.114
5 HA3 GLY 1 HA2 GLY 1 17.778 -11.451 9.369
6 H ALA 2 HN ALA 2 18.651 -10.518 7.368
7 HA ALA 2 HA ALA 2 18.153 -7.623 7.161
8 HB1 ALA 2 HB1 ALA 2 20.464 -8.293 6.685
9 HB2 ALA 2 HB2 ALA 2 19.678 -7.612 5.260
10 HB3 ALA 2 HB3 ALA 2 19.889 -9.357 5.402
11 H MET 3 HN MET 3 16.370 -10.160 6.787
12 HA MET 3 HA MET 3 15.034 -9.090 4.427
13 HB2 MET 3 HB2 MET 3 16.099 -11.880 4.648
14 HB3 MET 3 HB1 MET 3 14.598 -11.600 3.775
15 HG2 MET 3 HG2 MET 3 17.238 -10.274 3.177
16 HG3 MET 3 HG1 MET 3 16.540 -11.627 2.286
17 HE1 MET 3 HE1 MET 3 16.878 -10.216 0.062
18 HE2 MET 3 HE2 MET 3 17.497 -8.835 0.964
19 HE3 MET 3 HE3 MET 3 16.195 -8.614 -0.205
20 H GLY 4 HN GLY 4 12.871 -10.207 4.110
21 HA2 GLY 4 HA2 GLY 4 11.222 -11.582 5.499
22 HA3 GLY 4 HA1 GLY 4 11.601 -10.409 6.758
23 H MET 5 HN MET 5 11.024 -8.209 6.431
24 HA MET 5 HA MET 5 9.093 -7.766 4.257
25 HB2 MET 5 HB2 MET 5 8.057 -7.885 6.550
26 HB3 MET 5 HB1 MET 5 9.006 -6.473 6.992
27 HG2 MET 5 HG2 MET 5 6.706 -5.890 6.407
28 HG3 MET 5 HG1 MET 5 7.873 -5.143 5.318
29 HE1 MET 5 HE1 MET 5 5.270 -8.795 4.215
30 HE2 MET 5 HE2 MET 5 5.204 -7.971 5.772
31 HE3 MET 5 HE3 MET 5 6.635 -8.901 5.327
32 H ARG 6 HN ARG 6 11.605 -7.353 3.645
33 HA ARG 6 HA ARG 6 11.977 -4.444 3.873
34 HB2 ARG 6 HB2 ARG 6 14.119 -6.561 3.626
35 HB3 ARG 6 HB1 ARG 6 14.402 -4.826 3.630
36 HG2 ARG 6 HG2 ARG 6 13.443 -4.725 5.912
37 HG3 ARG 6 HG1 ARG 6 13.316 -6.485 5.889
38 HD2 ARG 6 HD2 ARG 6 15.751 -6.622 5.511
39 HD3 ARG 6 HD1 ARG 6 15.846 -4.866 5.639
40 HE ARG 6 HE ARG 6 14.644 -6.223 7.896
41 HH11 ARG 6 HH11 ARG 6 17.570 -4.932 6.481
42 HH12 ARG 6 HH12 ARG 6 18.390 -4.778 8.003
43 HH21 ARG 6 HH21 ARG 6 15.710 -5.995 9.904
44 HH22 ARG 6 HH22 ARG 6 17.324 -5.365 9.954
45 H ASN 7 HN ASN 7 10.449 -4.754 1.954
46 HA ASN 7 HA ASN 7 12.167 -4.722 -0.438
47 HB2 ASN 7 HB2 ASN 7 10.400 -6.584 -0.350
48 HB3 ASN 7 HB1 ASN 7 9.207 -5.302 -0.521
49 HD21 ASN 7 HD21 ASN 7 9.137 -4.114 -2.491
50 HD22 ASN 7 HD22 ASN 7 9.853 -4.737 -3.935
51 H LEU 8 HN LEU 8 12.253 -2.559 0.898
52 HA LEU 8 HA LEU 8 10.172 -0.744 -0.129
53 HB2 LEU 8 HB2 LEU 8 11.905 -0.252 2.275
54 HB3 LEU 8 HB1 LEU 8 10.439 0.590 1.821
55 HG LEU 8 HG LEU 8 10.549 -2.282 2.736
56 HD11 LEU 8 HD11 LEU 8 9.744 0.213 4.224
57 HD12 LEU 8 HD12 LEU 8 11.168 -0.777 4.539
58 HD13 LEU 8 HD13 LEU 8 9.559 -1.438 4.812
59 HD21 LEU 8 HD21 LEU 8 8.118 -2.047 2.941
60 HD22 LEU 8 HD22 LEU 8 8.659 -1.827 1.278
61 HD23 LEU 8 HD23 LEU 8 8.221 -0.426 2.256
62 H ASP 9 HN ASP 9 12.954 -1.673 -1.095
63 HA ASP 9 HA ASP 9 14.469 0.812 -0.986
64 HB2 ASP 9 HB2 ASP 9 15.153 -1.873 -2.187
65 HB3 ASP 9 HB1 ASP 9 16.233 -0.483 -2.177
66 H GLU 10 HN GLU 10 12.367 -0.855 -3.085
67 HA GLU 10 HA GLU 10 13.137 0.815 -5.371
68 HB2 GLU 10 HB2 GLU 10 11.174 -1.482 -5.249
69 HB3 GLU 10 HB1 GLU 10 11.727 -0.663 -6.702
70 HG2 GLU 10 HG2 GLU 10 13.886 -1.564 -6.515
71 HG3 GLU 10 HG1 GLU 10 13.605 -2.098 -4.859
72 H CYS 11 HN CYS 11 11.105 0.871 -2.788
73 HA CYS 11 HA CYS 11 8.895 2.156 -4.218
74 HB2 CYS 11 HB2 CYS 11 8.448 0.291 -2.575
75 HB3 CYS 11 HB1 CYS 11 9.023 1.359 -1.308
76 H GLU 12 HN GLU 12 9.738 4.145 -4.626
77 HA GLU 12 HA GLU 12 11.358 5.629 -2.894
78 HB2 GLU 12 HB2 GLU 12 10.974 5.879 -5.419
79 HB3 GLU 12 HB1 GLU 12 9.561 6.829 -4.982
80 HG2 GLU 12 HG2 GLU 12 11.443 8.268 -5.460
81 HG3 GLU 12 HG1 GLU 12 10.988 8.389 -3.761
82 H VAL 13 HN VAL 13 7.902 5.382 -3.220
83 HA VAL 13 HA VAL 13 7.312 7.724 -1.730
84 HB VAL 13 HB VAL 13 5.700 6.849 -3.311
85 HG11 VAL 13 HG11 VAL 13 4.460 4.821 -2.933
86 HG12 VAL 13 HG12 VAL 13 5.381 4.501 -1.466
87 HG13 VAL 13 HG13 VAL 13 6.183 4.469 -3.037
88 HG21 VAL 13 HG21 VAL 13 3.692 6.983 -1.955
89 HG22 VAL 13 HG22 VAL 13 4.883 8.167 -1.413
90 HG23 VAL 13 HG23 VAL 13 4.639 6.676 -0.503
91 H CYS 14 HN CYS 14 7.751 4.318 -0.871
92 HA CYS 14 HA CYS 14 6.983 4.550 1.844
93 HB2 CYS 14 HB2 CYS 14 8.496 2.622 0.220
94 HB3 CYS 14 HB1 CYS 14 8.962 2.671 1.915
95 H ARG 15 HN ARG 15 9.966 5.099 0.132
96 HA ARG 15 HA ARG 15 11.629 5.606 2.361
97 HB2 ARG 15 HB2 ARG 15 12.395 5.080 0.051
98 HB3 ARG 15 HB1 ARG 15 11.848 6.667 -0.460
99 HG2 ARG 15 HG2 ARG 15 13.469 7.679 1.112
100 HG3 ARG 15 HG1 ARG 15 14.068 6.056 1.479
101 HD2 ARG 15 HD2 ARG 15 14.514 5.752 -0.952
102 HD3 ARG 15 HD1 ARG 15 14.075 7.439 -1.196
103 HE ARG 15 HE ARG 15 16.189 6.947 0.724
104 HH11 ARG 15 HH11 ARG 15 15.297 7.804 -2.550
105 HH12 ARG 15 HH12 ARG 15 16.876 8.400 -2.958
106 HH21 ARG 15 HH21 ARG 15 18.273 7.745 0.196
107 HH22 ARG 15 HH22 ARG 15 18.569 8.370 -1.396
108 H ASP 16 HN ASP 16 9.596 7.609 0.344
109 HA ASP 16 HA ASP 16 10.240 10.101 1.503
110 HB2 ASP 16 HB2 ASP 16 9.155 9.769 -0.717
111 HB3 ASP 16 HB1 ASP 16 7.686 9.270 0.106
112 H GLY 17 HN GLY 17 8.423 7.486 2.693
113 HA2 GLY 17 HA2 GLY 17 7.597 7.369 4.905
114 HA3 GLY 17 HA1 GLY 17 7.502 9.124 4.938
115 H GLY 18 HN GLY 18 6.273 7.500 2.186
116 HA2 GLY 18 HA2 GLY 18 3.691 8.565 2.394
117 HA3 GLY 18 HA1 GLY 18 4.164 7.260 1.326
118 H GLU 19 HN GLU 19 1.683 7.204 2.231
119 HA GLU 19 HA GLU 19 1.652 5.377 4.527
120 HB2 GLU 19 HB2 GLU 19 -0.476 7.188 3.385
121 HB3 GLU 19 HB1 GLU 19 -0.813 5.979 4.618
122 HG2 GLU 19 HG2 GLU 19 0.836 7.095 6.097
123 HG3 GLU 19 HG1 GLU 19 1.060 8.331 4.864
124 H LEU 20 HN LEU 20 0.134 3.611 4.471
125 HA LEU 20 HA LEU 20 -0.135 2.473 1.768
126 HB2 LEU 20 HB2 LEU 20 0.318 1.266 4.469
127 HB3 LEU 20 HB1 LEU 20 -0.418 0.311 3.202
128 HG LEU 20 HG LEU 20 2.250 1.668 2.848
129 HD11 LEU 20 HD11 LEU 20 3.261 -0.507 3.365
130 HD12 LEU 20 HD12 LEU 20 1.673 -1.131 3.813
131 HD13 LEU 20 HD13 LEU 20 2.410 0.162 4.758
132 HD21 LEU 20 HD21 LEU 20 1.122 0.994 0.800
133 HD22 LEU 20 HD22 LEU 20 0.881 -0.627 1.448
134 HD23 LEU 20 HD23 LEU 20 2.509 -0.051 1.105
135 H PHE 21 HN PHE 21 -2.134 1.997 1.005
136 HA PHE 21 HA PHE 21 -4.366 2.459 2.862
137 HB2 PHE 21 HB2 PHE 21 -4.330 2.655 -0.166
138 HB3 PHE 21 HB1 PHE 21 -5.697 3.048 0.879
139 HD1 PHE 21 HD1 PHE 21 -5.215 4.833 2.732
140 HD2 PHE 21 HD2 PHE 21 -2.883 4.365 -0.806
141 HE1 PHE 21 HE1 PHE 21 -4.359 7.113 2.992
142 HE2 PHE 21 HE2 PHE 21 -2.034 6.656 -0.544
143 HZ PHE 21 HZ PHE 21 -2.772 8.031 1.359
144 H CYS 22 HN CYS 22 -3.115 -0.039 2.871
145 HA CYS 22 HA CYS 22 -5.474 -1.620 2.384
146 HB2 CYS 22 HB2 CYS 22 -4.389 -3.327 1.050
147 HB3 CYS 22 HB1 CYS 22 -4.208 -1.767 0.246
148 H CYS 23 HN CYS 23 -4.905 -4.028 3.060
149 HA CYS 23 HA CYS 23 -4.144 -3.870 5.807
150 HB2 CYS 23 HB2 CYS 23 -4.474 -6.438 4.257
151 HB3 CYS 23 HB1 CYS 23 -4.789 -6.145 5.966
152 H ASP 24 HN ASP 24 -2.473 -5.344 6.773
153 HA ASP 24 HA ASP 24 0.069 -4.908 5.769
154 HB2 ASP 24 HB2 ASP 24 -0.917 -7.085 7.620
155 HB3 ASP 24 HB1 ASP 24 0.783 -6.779 7.298
156 H THR 25 HN THR 25 -1.863 -7.883 5.538
157 HA THR 25 HA THR 25 0.004 -9.338 4.016
158 HB THR 25 HB THR 25 -2.993 -9.696 4.107
159 HG1 THR 25 HG1 THR 25 -0.892 -10.524 5.831
160 HG21 THR 25 HG21 THR 25 -0.767 -11.635 3.468
161 HG22 THR 25 HG22 THR 25 -1.939 -10.983 2.323
162 HG23 THR 25 HG23 THR 25 -2.474 -12.052 3.620
163 H CYS 26 HN CYS 26 -2.802 -7.383 3.036
164 HA CYS 26 HA CYS 26 -2.612 -7.917 0.280
165 HB2 CYS 26 HB2 CYS 26 -3.706 -5.436 1.632
166 HB3 CYS 26 HB1 CYS 26 -4.062 -5.964 -0.013
167 H SER 27 HN SER 27 -1.086 -5.531 2.341
168 HA SER 27 HA SER 27 0.171 -4.007 0.323
169 HB2 SER 27 HB2 SER 27 -0.075 -3.203 2.626
170 HB3 SER 27 HB1 SER 27 1.015 -4.466 3.193
171 HG SER 27 HG SER 27 1.634 -2.058 2.281
172 H ARG 28 HN ARG 28 0.927 -7.094 1.713
173 HA ARG 28 HA ARG 28 3.654 -7.099 0.844
174 HB2 ARG 28 HB2 ARG 28 2.926 -8.506 2.720
175 HB3 ARG 28 HB1 ARG 28 1.860 -9.398 1.644
176 HG2 ARG 28 HG2 ARG 28 3.813 -10.153 0.365
177 HG3 ARG 28 HG1 ARG 28 4.864 -9.302 1.496
178 HD2 ARG 28 HD2 ARG 28 4.057 -10.698 3.317
179 HD3 ARG 28 HD1 ARG 28 2.960 -11.527 2.213
180 HE ARG 28 HE ARG 28 5.673 -11.648 1.332
181 HH11 ARG 28 HH11 ARG 28 3.396 -13.093 3.561
182 HH12 ARG 28 HH12 ARG 28 4.201 -14.628 3.578
183 HH21 ARG 28 HH21 ARG 28 6.734 -13.654 1.352
184 HH22 ARG 28 HH22 ARG 28 6.099 -14.952 2.313
185 H VAL 29 HN VAL 29 0.568 -8.017 -0.474
186 HA VAL 29 HA VAL 29 1.761 -9.400 -2.719
187 HB VAL 29 HB VAL 29 -1.146 -8.775 -2.184
188 HG11 VAL 29 HG11 VAL 29 0.108 -10.702 -4.135
189 HG12 VAL 29 HG12 VAL 29 -0.655 -9.170 -4.555
190 HG13 VAL 29 HG13 VAL 29 -1.619 -10.473 -3.863
191 HG21 VAL 29 HG21 VAL 29 0.470 -11.264 -1.649
192 HG22 VAL 29 HG22 VAL 29 -1.288 -11.165 -1.543
193 HG23 VAL 29 HG23 VAL 29 -0.285 -10.212 -0.451
194 H PHE 30 HN PHE 30 -0.199 -6.463 -2.203
195 HA PHE 30 HA PHE 30 0.532 -5.637 -4.943
196 HB2 PHE 30 HB2 PHE 30 -1.942 -4.860 -3.376
197 HB3 PHE 30 HB1 PHE 30 -1.545 -4.328 -5.005
198 HD1 PHE 30 HD1 PHE 30 -1.167 -6.313 -6.733
199 HD2 PHE 30 HD2 PHE 30 -3.405 -6.589 -3.118
200 HE1 PHE 30 HE1 PHE 30 -2.402 -8.231 -7.644
201 HE2 PHE 30 HE2 PHE 30 -4.636 -8.513 -4.025
202 HZ PHE 30 HZ PHE 30 -4.136 -9.337 -6.291
203 H HIS 31 HN HIS 31 2.370 -5.062 -3.117
204 HA HIS 31 HA HIS 31 2.064 -2.907 -1.413
205 HB2 HIS 31 HB2 HIS 31 4.029 -4.429 -1.514
206 HB3 HIS 31 HB1 HIS 31 4.554 -3.601 -2.976
207 HD1 HIS 31 HD1 HIS 31 3.783 -2.673 0.657
208 HD2 HIS 31 HD2 HIS 31 6.285 -1.618 -2.493
209 HE1 HIS 31 HE1 HIS 31 5.444 -0.990 1.592
210 H GLU 32 HN GLU 32 3.072 -2.860 -4.814
211 HA GLU 32 HA GLU 32 3.691 -0.102 -4.873
212 HB2 GLU 32 HB2 GLU 32 3.077 -2.089 -7.052
213 HB3 GLU 32 HB1 GLU 32 3.506 -0.417 -7.386
214 HG2 GLU 32 HG2 GLU 32 5.221 -2.375 -5.882
215 HG3 GLU 32 HG1 GLU 32 5.422 -1.936 -7.578
216 H ASP 33 HN ASP 33 0.805 -1.940 -5.584
217 HA ASP 33 HA ASP 33 -0.643 0.311 -6.619
218 HB2 ASP 33 HB2 ASP 33 -1.643 -2.400 -5.733
219 HB3 ASP 33 HB1 ASP 33 -2.583 -1.205 -6.622
220 H CYS 34 HN CYS 34 -0.091 -1.114 -3.530
221 HA CYS 34 HA CYS 34 -2.347 -0.010 -2.187
222 HB2 CYS 34 HB2 CYS 34 0.258 -1.207 -1.291
223 HB3 CYS 34 HB1 CYS 34 -0.821 -0.440 -0.128
224 H HIS 35 HN HIS 35 0.474 1.386 -3.392
225 HA HIS 35 HA HIS 35 0.289 3.674 -1.566
226 HB2 HIS 35 HB2 HIS 35 2.351 2.926 -3.642
227 HB3 HIS 35 HB1 HIS 35 2.375 4.442 -2.743
228 HD1 HIS 35 HD1 HIS 35 2.910 4.243 -0.139
229 HD2 HIS 35 HD2 HIS 35 3.218 0.709 -2.303
230 HE1 HIS 35 HE1 HIS 35 4.182 2.621 1.325
231 H ILE 36 HN ILE 36 -1.304 2.702 -4.123
232 HA ILE 36 HA ILE 36 -1.508 5.384 -5.326
233 HB ILE 36 HB ILE 36 -1.923 2.731 -6.728
234 HG12 ILE 36 HG12 ILE 36 0.305 4.760 -7.032
235 HG13 ILE 36 HG11 ILE 36 0.452 3.184 -6.265
236 HG21 ILE 36 HG21 ILE 36 -3.383 4.473 -7.589
237 HG22 ILE 36 HG22 ILE 36 -2.131 4.075 -8.766
238 HG23 ILE 36 HG23 ILE 36 -2.000 5.546 -7.804
239 HD11 ILE 36 HD11 ILE 36 1.367 3.140 -8.503
240 HD12 ILE 36 HD12 ILE 36 -0.171 3.692 -9.165
241 HD13 ILE 36 HD13 ILE 36 -0.058 2.107 -8.404
242 HA PRO 37 HA PRO 37 -2.919 6.759 -6.181
243 HB2 PRO 37 HB2 PRO 37 -4.441 8.633 -4.953
244 HB3 PRO 37 HB1 PRO 37 -5.027 7.704 -6.347
245 HG2 PRO 37 HG2 PRO 37 -5.537 7.267 -3.415
246 HG3 PRO 37 HG1 PRO 37 -6.691 7.231 -4.765
247 HD2 PRO 37 HD2 PRO 37 -5.650 4.974 -3.686
248 HD3 PRO 37 HD1 PRO 37 -6.065 5.100 -5.409
249 HA PRO 38 HA PRO 38 -0.007 7.832 -3.018
250 HB2 PRO 38 HB2 PRO 38 0.617 10.372 -3.887
251 HB3 PRO 38 HB1 PRO 38 1.313 8.889 -4.552
252 HG2 PRO 38 HG2 PRO 38 -0.937 10.566 -5.592
253 HG3 PRO 38 HG1 PRO 38 0.371 9.763 -6.485
254 HD2 PRO 38 HD2 PRO 38 -2.120 8.732 -6.391
255 HD3 PRO 38 HD1 PRO 38 -0.681 7.688 -6.406
256 H VAL 39 HN VAL 39 -0.132 8.715 -1.054
257 HA VAL 39 HA VAL 39 -2.509 9.705 -0.075
258 HB VAL 39 HB VAL 39 -0.864 8.642 1.358
259 HG11 VAL 39 HG11 VAL 39 1.092 9.915 2.186
260 HG12 VAL 39 HG12 VAL 39 0.777 11.129 0.945
261 HG13 VAL 39 HG13 VAL 39 1.197 9.481 0.482
262 HG21 VAL 39 HG21 VAL 39 -2.548 10.047 2.393
263 HG22 VAL 39 HG22 VAL 39 -1.492 11.452 2.241
264 HG23 VAL 39 HG23 VAL 39 -1.037 10.116 3.298
265 H GLU 40 HN GLU 40 -3.459 11.605 -0.023
266 HA GLU 40 HA GLU 40 -1.892 14.054 -0.302
267 HB2 GLU 40 HB2 GLU 40 -2.602 13.419 -2.580
268 HB3 GLU 40 HB1 GLU 40 -4.275 13.380 -2.044
269 HG2 GLU 40 HG2 GLU 40 -3.985 15.430 -3.152
270 HG3 GLU 40 HG1 GLU 40 -4.022 15.799 -1.430
271 H ALA 41 HN ALA 41 -5.152 12.674 0.147
272 HA ALA 41 HA ALA 41 -5.580 14.568 2.329
273 HB1 ALA 41 HB1 ALA 41 -7.577 14.204 0.097
274 HB2 ALA 41 HB2 ALA 41 -6.555 15.621 0.337
275 HB3 ALA 41 HB3 ALA 41 -7.783 15.207 1.534
276 H GLU 42 HN GLU 42 -6.924 11.829 0.516
277 HA GLU 42 HA GLU 42 -8.475 10.920 2.760
278 HB2 GLU 42 HB2 GLU 42 -7.843 9.657 0.091
279 HB3 GLU 42 HB1 GLU 42 -8.861 8.901 1.307
280 HG2 GLU 42 HG2 GLU 42 -9.399 11.580 0.053
281 HG3 GLU 42 HG1 GLU 42 -10.130 10.060 -0.462
282 H ARG 43 HN ARG 43 -6.794 10.781 4.325
283 HA ARG 43 HA ARG 43 -4.755 8.743 3.916
284 HB2 ARG 43 HB2 ARG 43 -5.205 10.444 6.365
285 HB3 ARG 43 HB1 ARG 43 -3.759 9.536 5.946
286 HG2 ARG 43 HG2 ARG 43 -3.659 11.051 3.873
287 HG3 ARG 43 HG1 ARG 43 -4.797 12.076 4.751
288 HD2 ARG 43 HD2 ARG 43 -2.055 11.223 5.666
289 HD3 ARG 43 HD1 ARG 43 -2.525 12.833 5.132
290 HE ARG 43 HE ARG 43 -3.987 12.913 7.127
291 HH11 ARG 43 HH11 ARG 43 -1.371 10.581 7.055
292 HH12 ARG 43 HH12 ARG 43 -1.155 10.587 8.780
293 HH21 ARG 43 HH21 ARG 43 -3.712 12.912 9.397
294 HH22 ARG 43 HH22 ARG 43 -2.494 11.907 10.116
295 H THR 44 HN THR 44 -6.029 6.891 3.889
296 HA THR 44 HA THR 44 -7.257 6.198 6.470
297 HB THR 44 HB THR 44 -8.930 4.857 5.202
298 HG1 THR 44 HG1 THR 44 -7.639 4.715 3.250
299 HG21 THR 44 HG21 THR 44 -10.287 6.754 4.447
300 HG22 THR 44 HG22 THR 44 -8.860 7.791 4.477
301 HG23 THR 44 HG23 THR 44 -9.492 7.117 5.978
302 HA PRO 45 HA PRO 45 -4.053 2.987 5.471
303 HB2 PRO 45 HB2 PRO 45 -3.675 2.994 8.383
304 HB3 PRO 45 HB1 PRO 45 -2.487 3.243 7.099
305 HG2 PRO 45 HG2 PRO 45 -3.295 5.253 8.700
306 HG3 PRO 45 HG1 PRO 45 -2.873 5.516 6.997
307 HD2 PRO 45 HD2 PRO 45 -5.583 5.271 8.263
308 HD3 PRO 45 HD1 PRO 45 -5.026 6.403 7.007
309 H TRP 46 HN TRP 46 -6.839 3.182 7.423
310 HA TRP 46 HA TRP 46 -6.852 0.313 7.996
311 HB2 TRP 46 HB2 TRP 46 -8.914 0.873 9.329
312 HB3 TRP 46 HB1 TRP 46 -7.454 1.689 9.883
313 HD1 TRP 46 HD1 TRP 46 -10.773 2.388 8.090
314 HE1 TRP 46 HE1 TRP 46 -11.253 4.909 8.196
315 HE3 TRP 46 HE3 TRP 46 -6.357 3.968 10.131
316 HZ2 TRP 46 HZ2 TRP 46 -9.936 7.258 9.033
317 HZ3 TRP 46 HZ3 TRP 46 -6.051 6.374 10.549
318 HH2 TRP 46 HH2 TRP 46 -7.799 7.981 10.010
319 H ASN 47 HN ASN 47 -7.641 2.213 5.496
320 HA ASN 47 HA ASN 47 -10.029 0.640 4.795
321 HB2 ASN 47 HB2 ASN 47 -10.451 3.078 4.834
322 HB3 ASN 47 HB1 ASN 47 -9.155 3.313 3.667
323 HD21 ASN 47 HD21 ASN 47 -9.465 2.616 1.507
324 HD22 ASN 47 HD22 ASN 47 -11.050 2.304 0.879
325 H CYS 48 HN CYS 48 -9.384 -1.055 3.646
326 HA CYS 48 HA CYS 48 -7.065 -0.848 1.900
327 HB2 CYS 48 HB2 CYS 48 -7.369 -2.789 3.425
328 HB3 CYS 48 HB1 CYS 48 -8.855 -3.188 2.589
329 H ILE 49 HN ILE 49 -7.277 -0.374 -0.170
330 HA ILE 49 HA ILE 49 -9.826 0.064 -1.321
331 HB ILE 49 HB ILE 49 -8.445 0.338 -3.490
332 HG12 ILE 49 HG12 ILE 49 -6.208 0.340 -1.455
333 HG13 ILE 49 HG11 ILE 49 -6.461 -0.908 -2.672
334 HG21 ILE 49 HG21 ILE 49 -9.341 2.204 -2.246
335 HG22 ILE 49 HG22 ILE 49 -7.695 2.576 -2.763
336 HG23 ILE 49 HG23 ILE 49 -8.010 2.113 -1.091
337 HD11 ILE 49 HD11 ILE 49 -4.720 0.607 -3.368
338 HD12 ILE 49 HD12 ILE 49 -5.804 1.986 -3.174
339 HD13 ILE 49 HD13 ILE 49 -6.121 0.783 -4.426
340 H PHE 50 HN PHE 50 -7.717 -2.682 -1.301
341 HA PHE 50 HA PHE 50 -8.956 -3.869 -3.638
342 HB2 PHE 50 HB2 PHE 50 -6.801 -4.848 -1.764
343 HB3 PHE 50 HB1 PHE 50 -7.487 -5.856 -3.039
344 HD1 PHE 50 HD1 PHE 50 -7.068 -5.355 -5.375
345 HD2 PHE 50 HD2 PHE 50 -5.375 -2.969 -2.282
346 HE1 PHE 50 HE1 PHE 50 -5.486 -4.401 -6.983
347 HE2 PHE 50 HE2 PHE 50 -3.793 -2.000 -3.893
348 HZ PHE 50 HZ PHE 50 -3.929 -2.610 -6.261
349 H CYS 51 HN CYS 51 -9.002 -4.247 -0.131
350 HA CYS 51 HA CYS 51 -10.719 -6.520 -0.150
351 HB2 CYS 51 HB2 CYS 51 -9.831 -4.628 2.000
352 HB3 CYS 51 HB1 CYS 51 -11.122 -5.774 2.315
353 H ARG 52 HN ARG 52 -11.351 -3.205 -0.708
354 HA ARG 52 HA ARG 52 -14.090 -3.491 0.306
355 HB2 ARG 52 HB2 ARG 52 -12.525 -0.975 -0.308
356 HB3 ARG 52 HB1 ARG 52 -14.214 -1.008 0.174
357 HG2 ARG 52 HG2 ARG 52 -11.860 -1.899 1.822
358 HG3 ARG 52 HG1 ARG 52 -12.827 -0.441 2.056
359 HD2 ARG 52 HD2 ARG 52 -13.772 -3.295 2.330
360 HD3 ARG 52 HD1 ARG 52 -13.494 -2.153 3.642
361 HE ARG 52 HE ARG 52 -15.352 -1.022 1.880
362 HH11 ARG 52 HH11 ARG 52 -15.113 -3.708 4.116
363 HH12 ARG 52 HH12 ARG 52 -16.810 -3.728 4.473
364 HH21 ARG 52 HH21 ARG 52 -17.588 -1.048 2.345
365 HH22 ARG 52 HH22 ARG 52 -18.220 -2.217 3.460
366 H MET 53 HN MET 53 -12.294 -3.731 -2.442
367 HA MET 53 HA MET 53 -14.230 -2.490 -4.220
368 HB2 MET 53 HB2 MET 53 -12.741 -2.914 -5.999
369 HB3 MET 53 HB1 MET 53 -11.715 -2.475 -4.644
370 HG2 MET 53 HG2 MET 53 -11.243 -4.847 -4.247
371 HG3 MET 53 HG1 MET 53 -12.257 -5.266 -5.625
372 HE1 MET 53 HE1 MET 53 -9.339 -6.360 -5.427
373 HE2 MET 53 HE2 MET 53 -8.728 -6.045 -7.051
374 HE3 MET 53 HE3 MET 53 -10.377 -6.631 -6.828
375 H LYS 54 HN LYS 54 -14.302 -5.130 -2.475
376 HA LYS 54 HA LYS 54 -15.007 -7.232 -4.182
377 HB2 LYS 54 HB2 LYS 54 -14.572 -7.569 -1.794
378 HB3 LYS 54 HB1 LYS 54 -15.975 -6.594 -1.382
379 HG2 LYS 54 HG2 LYS 54 -16.480 -8.936 -1.115
380 HG3 LYS 54 HG1 LYS 54 -17.433 -8.265 -2.441
381 HD2 LYS 54 HD2 LYS 54 -15.760 -9.172 -4.031
382 HD3 LYS 54 HD1 LYS 54 -14.927 -9.929 -2.675
383 HE2 LYS 54 HE2 LYS 54 -16.922 -11.239 -2.168
384 HE3 LYS 54 HE1 LYS 54 -17.780 -10.461 -3.498
385 HZ1 LYS 54 HZ1 LYS 54 -16.197 -11.427 -5.042
386 HZ2 LYS 54 HZ2 LYS 54 -16.947 -12.637 -4.129
387 HZ3 LYS 54 HZ3 LYS 54 -15.363 -12.166 -3.768
388 H GLU 55 HN GLU 55 -16.834 -7.706 -5.277
389 HA GLU 55 HA GLU 55 -19.062 -5.799 -5.028
390 HB2 GLU 55 HB2 GLU 55 -17.960 -5.628 -7.191
391 HB3 GLU 55 HB1 GLU 55 -18.145 -7.356 -7.450
392 HG2 GLU 55 HG2 GLU 55 -20.549 -7.116 -7.536
393 HG3 GLU 55 HG1 GLU 55 -20.410 -5.394 -7.182
394 H SER 56 HN SER 56 -20.939 -6.592 -4.366
395 HA SER 56 HA SER 56 -21.724 -9.296 -5.011
396 HB2 SER 56 HB2 SER 56 -20.388 -9.493 -2.884
397 HB3 SER 56 HB1 SER 56 -21.573 -8.447 -2.105
398 HG SER 56 HG SER 56 -21.989 -11.027 -3.214
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 6.487 -11.086 -4.246
2 H2 GLY 1 HT2 GLY 1 8.127 -11.005 -4.637
3 H3 GLY 1 HT3 GLY 1 7.644 -11.004 -3.018
4 HA2 GLY 1 HA1 GLY 1 6.815 -13.246 -3.210
5 HA3 GLY 1 HA2 GLY 1 7.258 -13.252 -4.910
6 H ALA 2 HN ALA 2 8.325 -15.255 -3.782
7 HA ALA 2 HA ALA 2 10.237 -16.369 -3.305
8 HB1 ALA 2 HB1 ALA 2 12.343 -15.444 -4.106
9 HB2 ALA 2 HB2 ALA 2 11.598 -13.854 -4.273
10 HB3 ALA 2 HB3 ALA 2 11.065 -15.191 -5.294
11 H MET 3 HN MET 3 9.002 -15.210 -1.147
12 HA MET 3 HA MET 3 9.282 -14.638 1.032
13 HB2 MET 3 HB2 MET 3 10.841 -16.612 0.901
14 HB3 MET 3 HB1 MET 3 12.162 -15.480 0.643
15 HG2 MET 3 HG2 MET 3 11.621 -14.435 2.832
16 HG3 MET 3 HG1 MET 3 10.416 -15.697 3.089
17 HE1 MET 3 HE1 MET 3 12.625 -18.919 3.250
18 HE2 MET 3 HE2 MET 3 11.871 -18.244 1.807
19 HE3 MET 3 HE3 MET 3 10.992 -18.262 3.336
20 H GLY 4 HN GLY 4 9.209 -12.510 -0.481
21 HA2 GLY 4 HA2 GLY 4 11.499 -10.823 -0.385
22 HA3 GLY 4 HA1 GLY 4 9.856 -10.320 -0.753
23 H MET 5 HN MET 5 12.328 -10.422 1.590
24 HA MET 5 HA MET 5 10.648 -9.743 3.831
25 HB2 MET 5 HB2 MET 5 13.658 -9.648 3.503
26 HB3 MET 5 HB1 MET 5 12.809 -9.332 5.007
27 HG2 MET 5 HG2 MET 5 11.931 -11.613 4.990
28 HG3 MET 5 HG1 MET 5 12.796 -11.938 3.494
29 HE1 MET 5 HE1 MET 5 13.061 -13.729 6.161
30 HE2 MET 5 HE2 MET 5 14.799 -14.029 6.130
31 HE3 MET 5 HE3 MET 5 13.870 -14.071 4.631
32 H ARG 6 HN ARG 6 9.543 -7.903 3.299
33 HA ARG 6 HA ARG 6 9.097 -5.715 2.945
34 HB2 ARG 6 HB2 ARG 6 11.855 -5.327 4.117
35 HB3 ARG 6 HB1 ARG 6 10.656 -4.059 3.906
36 HG2 ARG 6 HG2 ARG 6 9.161 -5.217 5.458
37 HG3 ARG 6 HG1 ARG 6 10.368 -6.486 5.667
38 HD2 ARG 6 HD2 ARG 6 11.949 -4.756 6.504
39 HD3 ARG 6 HD1 ARG 6 10.638 -3.580 6.422
40 HE ARG 6 HE ARG 6 9.914 -5.878 7.943
41 HH11 ARG 6 HH11 ARG 6 11.634 -2.831 8.106
42 HH12 ARG 6 HH12 ARG 6 11.502 -2.707 9.830
43 HH21 ARG 6 HH21 ARG 6 9.741 -5.717 10.203
44 HH22 ARG 6 HH22 ARG 6 10.406 -4.341 11.023
45 H ASN 7 HN ASN 7 9.227 -6.368 0.653
46 HA ASN 7 HA ASN 7 11.544 -5.483 -0.842
47 HB2 ASN 7 HB2 ASN 7 10.158 -7.470 -1.530
48 HB3 ASN 7 HB1 ASN 7 8.850 -6.357 -1.915
49 HD21 ASN 7 HD21 ASN 7 9.052 -5.007 -3.737
50 HD22 ASN 7 HD22 ASN 7 10.246 -5.283 -4.960
51 H LEU 8 HN LEU 8 11.427 -3.313 0.022
52 HA LEU 8 HA LEU 8 9.555 -1.636 -1.485
53 HB2 LEU 8 HB2 LEU 8 9.498 -0.116 0.533
54 HB3 LEU 8 HB1 LEU 8 8.629 -1.628 0.677
55 HG LEU 8 HG LEU 8 10.772 -2.495 1.851
56 HD11 LEU 8 HD11 LEU 8 12.043 -0.806 3.047
57 HD12 LEU 8 HD12 LEU 8 11.141 0.472 2.233
58 HD13 LEU 8 HD13 LEU 8 12.200 -0.589 1.303
59 HD21 LEU 8 HD21 LEU 8 9.948 -1.646 4.009
60 HD22 LEU 8 HD22 LEU 8 8.648 -2.226 2.968
61 HD23 LEU 8 HD23 LEU 8 8.928 -0.494 3.147
62 H ASP 9 HN ASP 9 12.396 -2.453 -1.747
63 HA ASP 9 HA ASP 9 13.939 -0.072 -1.192
64 HB2 ASP 9 HB2 ASP 9 14.643 -2.598 -2.701
65 HB3 ASP 9 HB1 ASP 9 15.774 -1.287 -2.383
66 H GLU 10 HN GLU 10 12.155 -1.444 -3.778
67 HA GLU 10 HA GLU 10 13.075 0.544 -5.699
68 HB2 GLU 10 HB2 GLU 10 11.644 -0.648 -7.285
69 HB3 GLU 10 HB1 GLU 10 12.711 -1.770 -6.452
70 HG2 GLU 10 HG2 GLU 10 10.752 -2.167 -4.862
71 HG3 GLU 10 HG1 GLU 10 9.770 -1.365 -6.081
72 H CYS 11 HN CYS 11 11.130 0.612 -3.170
73 HA CYS 11 HA CYS 11 8.926 2.066 -4.440
74 HB2 CYS 11 HB2 CYS 11 8.415 0.121 -2.957
75 HB3 CYS 11 HB1 CYS 11 9.151 0.991 -1.625
76 H GLU 12 HN GLU 12 9.891 4.051 -4.729
77 HA GLU 12 HA GLU 12 11.478 5.393 -2.838
78 HB2 GLU 12 HB2 GLU 12 11.346 5.917 -5.274
79 HB3 GLU 12 HB1 GLU 12 9.752 6.601 -4.995
80 HG2 GLU 12 HG2 GLU 12 11.357 8.371 -5.115
81 HG3 GLU 12 HG1 GLU 12 10.760 8.245 -3.461
82 H VAL 13 HN VAL 13 8.033 5.198 -3.344
83 HA VAL 13 HA VAL 13 7.357 7.480 -1.829
84 HB VAL 13 HB VAL 13 5.838 6.622 -3.501
85 HG11 VAL 13 HG11 VAL 13 4.615 4.555 -3.224
86 HG12 VAL 13 HG12 VAL 13 5.511 4.206 -1.749
87 HG13 VAL 13 HG13 VAL 13 6.348 4.252 -3.300
88 HG21 VAL 13 HG21 VAL 13 3.769 6.713 -2.277
89 HG22 VAL 13 HG22 VAL 13 4.919 7.845 -1.561
90 HG23 VAL 13 HG23 VAL 13 4.601 6.294 -0.782
91 H CYS 14 HN CYS 14 8.115 4.194 -0.971
92 HA CYS 14 HA CYS 14 6.947 4.204 1.625
93 HB2 CYS 14 HB2 CYS 14 8.739 2.478 0.118
94 HB3 CYS 14 HB1 CYS 14 9.210 2.599 1.809
95 H ARG 15 HN ARG 15 9.987 5.261 0.294
96 HA ARG 15 HA ARG 15 11.214 5.834 2.816
97 HB2 ARG 15 HB2 ARG 15 11.928 6.753 0.032
98 HB3 ARG 15 HB1 ARG 15 12.943 6.947 1.453
99 HG2 ARG 15 HG2 ARG 15 13.140 4.539 1.673
100 HG3 ARG 15 HG1 ARG 15 12.062 4.312 0.296
101 HD2 ARG 15 HD2 ARG 15 13.655 5.417 -1.161
102 HD3 ARG 15 HD1 ARG 15 14.714 5.737 0.209
103 HE ARG 15 HE ARG 15 14.431 3.033 0.231
104 HH11 ARG 15 HH11 ARG 15 15.407 5.349 -2.204
105 HH12 ARG 15 HH12 ARG 15 16.483 4.252 -3.004
106 HH21 ARG 15 HH21 ARG 15 15.850 1.586 -0.817
107 HH22 ARG 15 HH22 ARG 15 16.734 2.106 -2.216
108 H ASP 16 HN ASP 16 9.274 7.536 0.510
109 HA ASP 16 HA ASP 16 9.633 10.135 1.640
110 HB2 ASP 16 HB2 ASP 16 8.907 9.735 -0.708
111 HB3 ASP 16 HB1 ASP 16 7.380 9.105 -0.104
112 H GLY 17 HN GLY 17 8.074 7.410 2.732
113 HA2 GLY 17 HA2 GLY 17 6.891 7.148 4.715
114 HA3 GLY 17 HA1 GLY 17 6.731 8.898 4.818
115 H GLY 18 HN GLY 18 5.843 7.103 1.954
116 HA2 GLY 18 HA2 GLY 18 3.202 8.155 1.981
117 HA3 GLY 18 HA1 GLY 18 3.822 6.944 0.876
118 H GLU 19 HN GLU 19 1.481 7.451 2.964
119 HA GLU 19 HA GLU 19 1.393 5.238 4.661
120 HB2 GLU 19 HB2 GLU 19 -0.524 7.227 3.638
121 HB3 GLU 19 HB1 GLU 19 -1.241 5.703 4.131
122 HG2 GLU 19 HG2 GLU 19 -1.203 7.455 5.890
123 HG3 GLU 19 HG1 GLU 19 -0.428 5.945 6.351
124 H LEU 20 HN LEU 20 0.717 3.201 4.441
125 HA LEU 20 HA LEU 20 0.153 2.172 1.792
126 HB2 LEU 20 HB2 LEU 20 0.647 0.969 4.487
127 HB3 LEU 20 HB1 LEU 20 -0.138 0.011 3.247
128 HG LEU 20 HG LEU 20 2.524 1.343 2.780
129 HD11 LEU 20 HD11 LEU 20 2.818 -0.089 4.699
130 HD12 LEU 20 HD12 LEU 20 3.529 -0.864 3.281
131 HD13 LEU 20 HD13 LEU 20 1.964 -1.402 3.891
132 HD21 LEU 20 HD21 LEU 20 2.722 -0.432 1.077
133 HD22 LEU 20 HD22 LEU 20 1.341 0.626 0.784
134 HD23 LEU 20 HD23 LEU 20 1.094 -0.975 1.479
135 H PHE 21 HN PHE 21 -1.865 2.012 1.012
136 HA PHE 21 HA PHE 21 -4.087 2.306 2.901
137 HB2 PHE 21 HB2 PHE 21 -3.968 2.618 -0.117
138 HB3 PHE 21 HB1 PHE 21 -5.449 2.755 0.833
139 HD1 PHE 21 HD1 PHE 21 -5.664 4.591 2.519
140 HD2 PHE 21 HD2 PHE 21 -2.428 4.434 -0.256
141 HE1 PHE 21 HE1 PHE 21 -5.175 6.959 2.951
142 HE2 PHE 21 HE2 PHE 21 -1.942 6.802 0.178
143 HZ PHE 21 HZ PHE 21 -3.314 8.068 1.785
144 H CYS 22 HN CYS 22 -2.786 -0.081 2.952
145 HA CYS 22 HA CYS 22 -4.903 -1.900 2.098
146 HB2 CYS 22 HB2 CYS 22 -2.023 -1.985 1.282
147 HB3 CYS 22 HB1 CYS 22 -2.918 -3.490 1.448
148 H CYS 23 HN CYS 23 -4.712 -4.040 3.152
149 HA CYS 23 HA CYS 23 -4.005 -3.857 5.921
150 HB2 CYS 23 HB2 CYS 23 -4.567 -6.411 4.403
151 HB3 CYS 23 HB1 CYS 23 -4.815 -6.100 6.120
152 H ASP 24 HN ASP 24 -2.453 -5.509 6.923
153 HA ASP 24 HA ASP 24 0.109 -5.127 5.949
154 HB2 ASP 24 HB2 ASP 24 -0.930 -7.330 7.737
155 HB3 ASP 24 HB1 ASP 24 0.779 -7.053 7.427
156 H THR 25 HN THR 25 -1.966 -7.966 5.506
157 HA THR 25 HA THR 25 -0.148 -9.399 3.887
158 HB THR 25 HB THR 25 -3.154 -9.639 4.024
159 HG1 THR 25 HG1 THR 25 -2.827 -10.856 5.773
160 HG21 THR 25 HG21 THR 25 -1.056 -11.597 3.076
161 HG22 THR 25 HG22 THR 25 -2.226 -10.761 2.058
162 HG23 THR 25 HG23 THR 25 -2.777 -11.943 3.246
163 H CYS 26 HN CYS 26 -2.927 -7.319 3.073
164 HA CYS 26 HA CYS 26 -2.807 -7.680 0.293
165 HB2 CYS 26 HB2 CYS 26 -3.793 -5.261 1.830
166 HB3 CYS 26 HB1 CYS 26 -4.172 -5.629 0.150
167 H SER 27 HN SER 27 -1.229 -5.358 2.414
168 HA SER 27 HA SER 27 -0.029 -3.779 0.404
169 HB2 SER 27 HB2 SER 27 0.843 -4.230 3.265
170 HB3 SER 27 HB1 SER 27 1.427 -2.945 2.211
171 HG SER 27 HG SER 27 -0.434 -2.555 3.756
172 H ARG 28 HN ARG 28 0.848 -6.869 1.713
173 HA ARG 28 HA ARG 28 3.580 -6.649 0.788
174 HB2 ARG 28 HB2 ARG 28 2.030 -8.902 2.056
175 HB3 ARG 28 HB1 ARG 28 3.684 -9.087 1.488
176 HG2 ARG 28 HG2 ARG 28 4.425 -7.358 3.034
177 HG3 ARG 28 HG1 ARG 28 2.765 -7.125 3.585
178 HD2 ARG 28 HD2 ARG 28 3.975 -8.502 5.164
179 HD3 ARG 28 HD1 ARG 28 2.728 -9.462 4.373
180 HE ARG 28 HE ARG 28 4.714 -10.153 2.860
181 HH11 ARG 28 HH11 ARG 28 4.859 -9.557 6.309
182 HH12 ARG 28 HH12 ARG 28 6.173 -10.660 6.568
183 HH21 ARG 28 HH21 ARG 28 6.451 -11.600 3.205
184 HH22 ARG 28 HH22 ARG 28 7.083 -11.810 4.807
185 H VAL 29 HN VAL 29 0.547 -7.670 -0.451
186 HA VAL 29 HA VAL 29 1.786 -9.201 -2.591
187 HB VAL 29 HB VAL 29 -1.140 -8.633 -2.087
188 HG11 VAL 29 HG11 VAL 29 -1.559 -10.443 -3.675
189 HG12 VAL 29 HG12 VAL 29 0.174 -10.599 -3.963
190 HG13 VAL 29 HG13 VAL 29 -0.669 -9.124 -4.437
191 HG21 VAL 29 HG21 VAL 29 0.527 -11.065 -1.459
192 HG22 VAL 29 HG22 VAL 29 -1.229 -10.974 -1.321
193 HG23 VAL 29 HG23 VAL 29 -0.212 -9.963 -0.295
194 H PHE 30 HN PHE 30 -0.275 -6.306 -2.223
195 HA PHE 30 HA PHE 30 0.401 -5.592 -5.009
196 HB2 PHE 30 HB2 PHE 30 -1.906 -4.524 -3.359
197 HB3 PHE 30 HB1 PHE 30 -1.627 -4.270 -5.077
198 HD1 PHE 30 HD1 PHE 30 -1.614 -6.402 -6.555
199 HD2 PHE 30 HD2 PHE 30 -3.333 -6.218 -2.662
200 HE1 PHE 30 HE1 PHE 30 -3.004 -8.357 -7.080
201 HE2 PHE 30 HE2 PHE 30 -4.723 -8.177 -3.182
202 HZ PHE 30 HZ PHE 30 -4.599 -9.236 -5.347
203 H HIS 31 HN HIS 31 2.331 -5.065 -3.212
204 HA HIS 31 HA HIS 31 2.157 -2.939 -1.487
205 HB2 HIS 31 HB2 HIS 31 4.048 -4.532 -1.662
206 HB3 HIS 31 HB1 HIS 31 4.574 -3.710 -3.125
207 HD1 HIS 31 HD1 HIS 31 4.053 -2.915 0.574
208 HD2 HIS 31 HD2 HIS 31 6.330 -1.719 -2.691
209 HE1 HIS 31 HE1 HIS 31 5.779 -1.286 1.465
210 H GLU 32 HN GLU 32 3.100 -2.784 -4.918
211 HA GLU 32 HA GLU 32 3.854 -0.034 -4.780
212 HB2 GLU 32 HB2 GLU 32 3.217 -1.794 -7.152
213 HB3 GLU 32 HB1 GLU 32 3.897 -0.179 -7.265
214 HG2 GLU 32 HG2 GLU 32 5.892 -0.902 -6.103
215 HG3 GLU 32 HG1 GLU 32 5.209 -2.513 -5.887
216 H ASP 33 HN ASP 33 0.969 -1.764 -5.694
217 HA ASP 33 HA ASP 33 -0.390 0.543 -6.733
218 HB2 ASP 33 HB2 ASP 33 -1.416 -2.212 -6.008
219 HB3 ASP 33 HB1 ASP 33 -2.353 -0.982 -6.850
220 H CYS 34 HN CYS 34 0.012 -0.978 -3.676
221 HA CYS 34 HA CYS 34 -2.334 0.158 -2.454
222 HB2 CYS 34 HB2 CYS 34 0.029 -1.398 -1.415
223 HB3 CYS 34 HB1 CYS 34 -1.184 -0.719 -0.329
224 H HIS 35 HN HIS 35 0.515 1.504 -3.390
225 HA HIS 35 HA HIS 35 0.525 3.489 -1.226
226 HB2 HIS 35 HB2 HIS 35 2.459 2.877 -3.449
227 HB3 HIS 35 HB1 HIS 35 2.562 4.365 -2.508
228 HD1 HIS 35 HD1 HIS 35 3.155 4.061 0.086
229 HD2 HIS 35 HD2 HIS 35 3.375 0.627 -2.238
230 HE1 HIS 35 HE1 HIS 35 4.478 2.377 1.430
231 H ILE 36 HN ILE 36 -1.230 3.022 -3.829
232 HA ILE 36 HA ILE 36 -1.236 5.852 -4.658
233 HB ILE 36 HB ILE 36 -2.054 3.461 -6.325
234 HG12 ILE 36 HG12 ILE 36 0.440 5.170 -6.499
235 HG13 ILE 36 HG11 ILE 36 0.377 3.512 -5.915
236 HG21 ILE 36 HG21 ILE 36 -1.704 6.358 -7.088
237 HG22 ILE 36 HG22 ILE 36 -3.244 5.523 -6.888
238 HG23 ILE 36 HG23 ILE 36 -2.141 5.043 -8.178
239 HD11 ILE 36 HD11 ILE 36 -0.355 2.775 -8.137
240 HD12 ILE 36 HD12 ILE 36 1.211 3.585 -8.180
241 HD13 ILE 36 HD13 ILE 36 -0.240 4.438 -8.711
242 HA PRO 37 HA PRO 37 -2.548 7.371 -5.492
243 HB2 PRO 37 HB2 PRO 37 -4.198 9.068 -3.767
244 HB3 PRO 37 HB1 PRO 37 -4.155 8.993 -5.535
245 HG2 PRO 37 HG2 PRO 37 -6.275 8.121 -4.107
246 HG3 PRO 37 HG1 PRO 37 -5.780 7.357 -5.634
247 HD2 PRO 37 HD2 PRO 37 -5.227 6.480 -2.810
248 HD3 PRO 37 HD1 PRO 37 -5.760 5.507 -4.204
249 HA PRO 38 HA PRO 38 0.495 8.340 -2.386
250 HB2 PRO 38 HB2 PRO 38 0.359 11.103 -3.487
251 HB3 PRO 38 HB1 PRO 38 1.762 10.054 -3.248
252 HG2 PRO 38 HG2 PRO 38 0.756 10.460 -5.695
253 HG3 PRO 38 HG1 PRO 38 1.389 8.875 -5.206
254 HD2 PRO 38 HD2 PRO 38 -1.451 9.773 -5.502
255 HD3 PRO 38 HD1 PRO 38 -0.727 8.182 -5.828
256 H VAL 39 HN VAL 39 0.287 8.933 -0.311
257 HA VAL 39 HA VAL 39 -2.187 9.831 0.633
258 HB VAL 39 HB VAL 39 -0.820 8.376 1.972
259 HG11 VAL 39 HG11 VAL 39 1.109 10.674 2.125
260 HG12 VAL 39 HG12 VAL 39 1.394 9.078 1.436
261 HG13 VAL 39 HG13 VAL 39 1.173 9.259 3.174
262 HG21 VAL 39 HG21 VAL 39 -1.203 11.037 3.324
263 HG22 VAL 39 HG22 VAL 39 -1.029 9.478 4.131
264 HG23 VAL 39 HG23 VAL 39 -2.435 9.793 3.113
265 H GLU 40 HN GLU 40 -3.003 11.758 0.578
266 HA GLU 40 HA GLU 40 -1.268 14.075 1.102
267 HB2 GLU 40 HB2 GLU 40 -3.583 13.876 -0.830
268 HB3 GLU 40 HB1 GLU 40 -2.860 15.397 -0.333
269 HG2 GLU 40 HG2 GLU 40 -1.460 13.168 -1.791
270 HG3 GLU 40 HG1 GLU 40 -2.029 14.676 -2.500
271 H ALA 41 HN ALA 41 -1.756 14.162 3.256
272 HA ALA 41 HA ALA 41 -2.807 14.959 5.085
273 HB1 ALA 41 HB1 ALA 41 -4.787 16.303 4.916
274 HB2 ALA 41 HB2 ALA 41 -5.101 15.697 3.289
275 HB3 ALA 41 HB3 ALA 41 -3.689 16.709 3.596
276 H GLU 42 HN GLU 42 -4.351 12.629 3.091
277 HA GLU 42 HA GLU 42 -6.120 11.797 5.271
278 HB2 GLU 42 HB2 GLU 42 -5.961 10.722 2.451
279 HB3 GLU 42 HB1 GLU 42 -7.204 10.364 3.640
280 HG2 GLU 42 HG2 GLU 42 -8.008 12.618 3.567
281 HG3 GLU 42 HG1 GLU 42 -6.673 13.105 2.521
282 H ARG 43 HN ARG 43 -4.158 11.161 6.481
283 HA ARG 43 HA ARG 43 -2.660 8.910 5.456
284 HB2 ARG 43 HB2 ARG 43 -2.538 10.192 8.187
285 HB3 ARG 43 HB1 ARG 43 -1.385 9.045 7.523
286 HG2 ARG 43 HG2 ARG 43 -1.090 10.820 5.651
287 HG3 ARG 43 HG1 ARG 43 -1.803 11.918 6.837
288 HD2 ARG 43 HD2 ARG 43 -0.078 11.175 8.464
289 HD3 ARG 43 HD1 ARG 43 0.669 10.230 7.179
290 HE ARG 43 HE ARG 43 0.568 13.158 7.353
291 HH11 ARG 43 HH11 ARG 43 1.713 10.269 5.705
292 HH12 ARG 43 HH12 ARG 43 3.011 11.113 4.907
293 HH21 ARG 43 HH21 ARG 43 2.264 14.239 6.298
294 HH22 ARG 43 HH22 ARG 43 3.317 13.361 5.234
295 H THR 44 HN THR 44 -4.596 7.598 5.246
296 HA THR 44 HA THR 44 -5.456 6.416 7.795
297 HB THR 44 HB THR 44 -7.422 5.566 6.477
298 HG1 THR 44 HG1 THR 44 -6.328 5.852 4.393
299 HG21 THR 44 HG21 THR 44 -7.608 7.575 7.860
300 HG22 THR 44 HG22 THR 44 -8.584 7.727 6.399
301 HG23 THR 44 HG23 THR 44 -7.034 8.562 6.516
302 HA PRO 45 HA PRO 45 -3.016 2.999 5.893
303 HB2 PRO 45 HB2 PRO 45 -2.455 2.268 8.664
304 HB3 PRO 45 HB1 PRO 45 -1.321 2.692 7.376
305 HG2 PRO 45 HG2 PRO 45 -1.768 4.296 9.515
306 HG3 PRO 45 HG1 PRO 45 -1.348 4.930 7.912
307 HD2 PRO 45 HD2 PRO 45 -4.037 4.747 9.236
308 HD3 PRO 45 HD1 PRO 45 -3.342 6.079 8.280
309 H TRP 46 HN TRP 46 -5.641 3.296 7.977
310 HA TRP 46 HA TRP 46 -6.224 0.425 8.002
311 HB2 TRP 46 HB2 TRP 46 -8.201 1.328 9.479
312 HB3 TRP 46 HB1 TRP 46 -6.581 1.227 10.166
313 HD1 TRP 46 HD1 TRP 46 -9.061 3.830 8.765
314 HE1 TRP 46 HE1 TRP 46 -8.422 6.144 9.696
315 HE3 TRP 46 HE3 TRP 46 -4.720 2.573 11.173
316 HZ2 TRP 46 HZ2 TRP 46 -6.359 7.280 11.240
317 HZ3 TRP 46 HZ3 TRP 46 -3.477 4.340 12.352
318 HH2 TRP 46 HH2 TRP 46 -4.278 6.640 12.381
319 H ASN 47 HN ASN 47 -6.336 1.958 5.588
320 HA ASN 47 HA ASN 47 -9.186 1.623 4.931
321 HB2 ASN 47 HB2 ASN 47 -8.711 4.044 5.051
322 HB3 ASN 47 HB1 ASN 47 -7.367 3.841 3.934
323 HD21 ASN 47 HD21 ASN 47 -10.548 2.319 3.751
324 HD22 ASN 47 HD22 ASN 47 -11.015 3.061 2.258
325 H CYS 48 HN CYS 48 -8.943 -0.336 3.862
326 HA CYS 48 HA CYS 48 -6.711 -0.597 1.994
327 HB2 CYS 48 HB2 CYS 48 -7.198 -2.433 3.633
328 HB3 CYS 48 HB1 CYS 48 -8.751 -2.671 2.844
329 H ILE 49 HN ILE 49 -6.994 -0.213 -0.075
330 HA ILE 49 HA ILE 49 -9.620 0.332 -1.104
331 HB ILE 49 HB ILE 49 -8.271 0.670 -3.296
332 HG12 ILE 49 HG12 ILE 49 -6.030 0.713 -1.267
333 HG13 ILE 49 HG11 ILE 49 -6.240 -0.512 -2.515
334 HG21 ILE 49 HG21 ILE 49 -7.585 2.922 -2.544
335 HG22 ILE 49 HG22 ILE 49 -7.886 2.428 -0.878
336 HG23 ILE 49 HG23 ILE 49 -9.218 2.493 -2.032
337 HD11 ILE 49 HD11 ILE 49 -5.699 2.415 -2.947
338 HD12 ILE 49 HD12 ILE 49 -5.950 1.225 -4.223
339 HD13 ILE 49 HD13 ILE 49 -4.552 1.093 -3.156
340 H PHE 50 HN PHE 50 -7.488 -2.390 -1.145
341 HA PHE 50 HA PHE 50 -8.651 -3.498 -3.560
342 HB2 PHE 50 HB2 PHE 50 -6.492 -4.466 -1.694
343 HB3 PHE 50 HB1 PHE 50 -7.201 -5.531 -2.912
344 HD1 PHE 50 HD2 PHE 50 -5.324 -2.401 -2.407
345 HD2 PHE 50 HD1 PHE 50 -6.655 -5.317 -5.201
346 HE1 PHE 50 HE2 PHE 50 -3.865 -1.416 -4.117
347 HE2 PHE 50 HE1 PHE 50 -5.198 -4.341 -6.924
348 HZ PHE 50 HZ PHE 50 -3.800 -2.384 -6.385
349 H CYS 51 HN CYS 51 -8.848 -3.939 -0.092
350 HA CYS 51 HA CYS 51 -10.435 -6.270 -0.135
351 HB2 CYS 51 HB2 CYS 51 -9.806 -4.223 1.939
352 HB3 CYS 51 HB1 CYS 51 -11.176 -5.292 2.216
353 H ARG 52 HN ARG 52 -11.260 -3.059 -1.005
354 HA ARG 52 HA ARG 52 -14.060 -3.542 -0.291
355 HB2 ARG 52 HB2 ARG 52 -12.651 -0.944 -0.940
356 HB3 ARG 52 HB1 ARG 52 -14.377 -1.098 -0.639
357 HG2 ARG 52 HG2 ARG 52 -13.880 -1.931 1.629
358 HG3 ARG 52 HG1 ARG 52 -12.161 -1.684 1.313
359 HD2 ARG 52 HD2 ARG 52 -12.519 0.695 1.048
360 HD3 ARG 52 HD1 ARG 52 -14.261 0.483 1.238
361 HE ARG 52 HE ARG 52 -12.883 -0.572 3.471
362 HH11 ARG 52 HH11 ARG 52 -13.768 2.491 2.034
363 HH12 ARG 52 HH12 ARG 52 -13.860 3.317 3.555
364 HH21 ARG 52 HH21 ARG 52 -12.991 0.512 5.466
365 HH22 ARG 52 HH22 ARG 52 -13.415 2.193 5.508
366 H MET 53 HN MET 53 -12.055 -4.071 -2.731
367 HA MET 53 HA MET 53 -14.145 -3.580 -4.746
368 HB2 MET 53 HB2 MET 53 -11.151 -3.478 -5.133
369 HB3 MET 53 HB1 MET 53 -12.324 -3.423 -6.440
370 HG2 MET 53 HG2 MET 53 -13.237 -1.352 -5.549
371 HG3 MET 53 HG1 MET 53 -12.084 -1.414 -4.218
372 HE1 MET 53 HE1 MET 53 -11.496 -2.316 -8.029
373 HE2 MET 53 HE2 MET 53 -10.937 -0.760 -8.643
374 HE3 MET 53 HE3 MET 53 -12.592 -0.936 -8.061
375 H LYS 54 HN LYS 54 -12.374 -5.805 -3.056
376 HA LYS 54 HA LYS 54 -11.894 -7.869 -4.868
377 HB2 LYS 54 HB2 LYS 54 -11.015 -7.859 -2.576
378 HB3 LYS 54 HB1 LYS 54 -12.643 -8.027 -1.940
379 HG2 LYS 54 HG2 LYS 54 -11.572 -10.150 -1.831
380 HG3 LYS 54 HG1 LYS 54 -12.803 -10.226 -3.093
381 HD2 LYS 54 HD2 LYS 54 -11.086 -9.893 -4.797
382 HD3 LYS 54 HD1 LYS 54 -9.851 -9.793 -3.541
383 HE2 LYS 54 HE2 LYS 54 -10.436 -12.088 -2.838
384 HE3 LYS 54 HE1 LYS 54 -11.589 -12.175 -4.166
385 HZ1 LYS 54 HZ1 LYS 54 -8.658 -11.801 -4.446
386 HZ2 LYS 54 HZ2 LYS 54 -9.765 -11.876 -5.721
387 HZ3 LYS 54 HZ3 LYS 54 -9.509 -13.231 -4.747
388 H GLU 55 HN GLU 55 -14.603 -7.762 -2.549
389 HA GLU 55 HA GLU 55 -16.429 -8.619 -4.630
390 HB2 GLU 55 HB2 GLU 55 -17.298 -10.460 -3.152
391 HB3 GLU 55 HB1 GLU 55 -15.722 -10.751 -3.867
392 HG2 GLU 55 HG2 GLU 55 -14.632 -10.209 -1.787
393 HG3 GLU 55 HG1 GLU 55 -16.178 -9.781 -1.057
394 H SER 56 HN SER 56 -16.776 -6.268 -3.948
395 HA SER 56 HA SER 56 -18.985 -6.252 -2.052
396 HB2 SER 56 HB2 SER 56 -16.807 -5.592 -0.876
397 HB3 SER 56 HB1 SER 56 -16.833 -4.141 -1.875
398 HG SER 56 HG SER 56 -19.010 -3.801 -0.985
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 10.997 -7.626 14.745
2 H2 GLY 1 HT2 GLY 1 9.950 -8.069 13.496
3 H3 GLY 1 HT3 GLY 1 9.405 -7.053 14.733
4 HA2 GLY 1 HA1 GLY 1 9.824 -5.761 12.764
5 HA3 GLY 1 HA2 GLY 1 10.958 -5.336 14.037
6 H ALA 2 HN ALA 2 10.788 -5.713 10.873
7 HA ALA 2 HA ALA 2 12.257 -6.035 9.179
8 HB1 ALA 2 HB1 ALA 2 13.527 -4.343 10.388
9 HB2 ALA 2 HB2 ALA 2 14.608 -5.506 9.620
10 HB3 ALA 2 HB3 ALA 2 14.302 -5.598 11.353
11 H MET 3 HN MET 3 11.255 -8.393 10.071
12 HA MET 3 HA MET 3 13.513 -10.178 9.527
13 HB2 MET 3 HB2 MET 3 11.491 -10.594 11.739
14 HB3 MET 3 HB1 MET 3 12.529 -11.869 11.120
15 HG2 MET 3 HG2 MET 3 14.501 -10.511 11.762
16 HG3 MET 3 HG1 MET 3 13.409 -9.337 12.492
17 HE1 MET 3 HE1 MET 3 13.134 -13.292 12.475
18 HE2 MET 3 HE2 MET 3 13.991 -13.668 13.967
19 HE3 MET 3 HE3 MET 3 14.857 -12.944 12.612
20 H GLY 4 HN GLY 4 11.663 -9.168 7.739
21 HA2 GLY 4 HA2 GLY 4 10.380 -11.658 6.888
22 HA3 GLY 4 HA1 GLY 4 9.366 -10.229 7.044
23 H MET 5 HN MET 5 8.869 -9.891 4.918
24 HA MET 5 HA MET 5 11.148 -9.254 3.166
25 HB2 MET 5 HB2 MET 5 8.506 -10.512 2.406
26 HB3 MET 5 HB1 MET 5 9.671 -9.898 1.242
27 HG2 MET 5 HG2 MET 5 11.331 -11.506 2.115
28 HG3 MET 5 HG1 MET 5 10.095 -12.158 3.186
29 HE1 MET 5 HE1 MET 5 7.852 -13.329 2.291
30 HE2 MET 5 HE2 MET 5 7.507 -13.597 0.584
31 HE3 MET 5 HE3 MET 5 7.506 -11.959 1.235
32 H ARG 6 HN ARG 6 10.856 -7.115 4.162
33 HA ARG 6 HA ARG 6 8.597 -5.643 2.998
34 HB2 ARG 6 HB2 ARG 6 10.542 -4.765 5.145
35 HB3 ARG 6 HB1 ARG 6 9.193 -3.817 4.539
36 HG2 ARG 6 HG2 ARG 6 7.665 -5.621 5.352
37 HG3 ARG 6 HG1 ARG 6 9.064 -6.376 6.118
38 HD2 ARG 6 HD2 ARG 6 7.918 -5.046 7.760
39 HD3 ARG 6 HD1 ARG 6 9.448 -4.261 7.367
40 HE ARG 6 HE ARG 6 7.195 -3.312 5.836
41 HH11 ARG 6 HH11 ARG 6 9.059 -2.899 8.778
42 HH12 ARG 6 HH12 ARG 6 8.573 -1.249 8.997
43 HH21 ARG 6 HH21 ARG 6 6.547 -1.152 6.142
44 HH22 ARG 6 HH22 ARG 6 7.155 -0.251 7.495
45 H ASN 7 HN ASN 7 9.605 -5.814 0.905
46 HA ASN 7 HA ASN 7 12.152 -4.494 0.511
47 HB2 ASN 7 HB2 ASN 7 11.429 -6.531 -0.813
48 HB3 ASN 7 HB1 ASN 7 10.272 -5.488 -1.635
49 HD21 ASN 7 HD21 ASN 7 12.539 -6.958 -2.755
50 HD22 ASN 7 HD22 ASN 7 13.551 -5.775 -3.507
51 H LEU 8 HN LEU 8 11.170 -2.535 1.506
52 HA LEU 8 HA LEU 8 9.664 -0.952 -0.425
53 HB2 LEU 8 HB2 LEU 8 9.474 0.711 1.420
54 HB3 LEU 8 HB1 LEU 8 8.749 -0.842 1.774
55 HG LEU 8 HG LEU 8 11.021 -1.326 2.980
56 HD11 LEU 8 HD11 LEU 8 10.965 1.686 3.060
57 HD12 LEU 8 HD12 LEU 8 12.156 0.704 2.208
58 HD13 LEU 8 HD13 LEU 8 12.049 0.633 3.967
59 HD21 LEU 8 HD21 LEU 8 8.896 0.507 4.070
60 HD22 LEU 8 HD22 LEU 8 10.081 -0.354 5.047
61 HD23 LEU 8 HD23 LEU 8 8.895 -1.256 4.105
62 H ASP 9 HN ASP 9 12.599 -1.802 -0.297
63 HA ASP 9 HA ASP 9 14.117 0.615 -0.158
64 HB2 ASP 9 HB2 ASP 9 15.073 -1.670 0.216
65 HB3 ASP 9 HB1 ASP 9 14.862 -1.994 -1.499
66 H GLU 10 HN GLU 10 12.515 -1.226 -2.648
67 HA GLU 10 HA GLU 10 13.348 0.652 -4.718
68 HB2 GLU 10 HB2 GLU 10 11.776 -1.919 -4.790
69 HB3 GLU 10 HB1 GLU 10 11.917 -0.862 -6.188
70 HG2 GLU 10 HG2 GLU 10 14.199 -2.163 -4.726
71 HG3 GLU 10 HG1 GLU 10 13.522 -2.688 -6.269
72 H CYS 11 HN CYS 11 11.246 0.824 -2.361
73 HA CYS 11 HA CYS 11 9.026 1.889 -3.957
74 HB2 CYS 11 HB2 CYS 11 8.561 0.156 -2.193
75 HB3 CYS 11 HB1 CYS 11 9.112 1.308 -0.992
76 H GLU 12 HN GLU 12 9.867 3.855 -4.510
77 HA GLU 12 HA GLU 12 11.350 5.537 -2.823
78 HB2 GLU 12 HB2 GLU 12 11.330 5.679 -5.291
79 HB3 GLU 12 HB1 GLU 12 9.673 6.264 -5.226
80 HG2 GLU 12 HG2 GLU 12 10.441 8.225 -3.963
81 HG3 GLU 12 HG1 GLU 12 12.100 7.648 -4.114
82 H VAL 13 HN VAL 13 7.929 5.113 -3.297
83 HA VAL 13 HA VAL 13 7.187 7.547 -2.058
84 HB VAL 13 HB VAL 13 5.621 6.550 -3.547
85 HG11 VAL 13 HG11 VAL 13 6.268 4.235 -3.347
86 HG12 VAL 13 HG12 VAL 13 4.533 4.410 -3.099
87 HG13 VAL 13 HG13 VAL 13 5.599 4.167 -1.717
88 HG21 VAL 13 HG21 VAL 13 3.619 6.617 -2.252
89 HG22 VAL 13 HG22 VAL 13 4.755 7.765 -1.543
90 HG23 VAL 13 HG23 VAL 13 4.495 6.195 -0.783
91 H CYS 14 HN CYS 14 7.665 4.237 -0.859
92 HA CYS 14 HA CYS 14 6.970 4.762 1.831
93 HB2 CYS 14 HB2 CYS 14 8.549 2.705 0.425
94 HB3 CYS 14 HB1 CYS 14 8.986 2.964 2.107
95 H ARG 15 HN ARG 15 9.797 5.376 -0.064
96 HA ARG 15 HA ARG 15 11.581 6.073 2.017
97 HB2 ARG 15 HB2 ARG 15 12.203 5.487 -0.318
98 HB3 ARG 15 HB1 ARG 15 11.515 7.009 -0.853
99 HG2 ARG 15 HG2 ARG 15 13.178 8.221 0.437
100 HG3 ARG 15 HG1 ARG 15 13.868 6.692 0.990
101 HD2 ARG 15 HD2 ARG 15 13.732 7.722 -1.838
102 HD3 ARG 15 HD1 ARG 15 15.180 7.486 -0.860
103 HE ARG 15 HE ARG 15 14.163 5.009 -0.924
104 HH11 ARG 15 HH11 ARG 15 14.764 7.327 -3.470
105 HH12 ARG 15 HH12 ARG 15 14.962 6.117 -4.697
106 HH21 ARG 15 HH21 ARG 15 14.429 3.408 -2.532
107 HH22 ARG 15 HH22 ARG 15 14.761 3.890 -4.169
108 H ASP 16 HN ASP 16 9.349 7.908 0.008
109 HA ASP 16 HA ASP 16 9.841 10.404 1.314
110 HB2 ASP 16 HB2 ASP 16 7.743 9.438 -0.610
111 HB3 ASP 16 HB1 ASP 16 7.629 11.029 0.133
112 H GLY 17 HN GLY 17 8.547 7.748 2.596
113 HA2 GLY 17 HA2 GLY 17 7.424 7.474 4.601
114 HA3 GLY 17 HA1 GLY 17 7.234 9.221 4.685
115 H GLY 18 HN GLY 18 6.197 7.478 1.883
116 HA2 GLY 18 HA2 GLY 18 3.563 8.435 1.963
117 HA3 GLY 18 HA1 GLY 18 4.133 7.108 0.967
118 H GLU 19 HN GLU 19 1.593 7.332 2.209
119 HA GLU 19 HA GLU 19 1.689 5.509 4.491
120 HB2 GLU 19 HB2 GLU 19 -0.537 7.189 3.331
121 HB3 GLU 19 HB1 GLU 19 -0.722 6.137 4.729
122 HG2 GLU 19 HG2 GLU 19 0.972 7.463 5.927
123 HG3 GLU 19 HG1 GLU 19 1.119 8.518 4.523
124 H LEU 20 HN LEU 20 0.226 3.716 4.596
125 HA LEU 20 HA LEU 20 -0.269 2.506 1.965
126 HB2 LEU 20 HB2 LEU 20 0.375 1.363 4.657
127 HB3 LEU 20 HB1 LEU 20 -0.466 0.388 3.471
128 HG LEU 20 HG LEU 20 2.193 1.693 2.907
129 HD11 LEU 20 HD11 LEU 20 2.424 0.185 4.820
130 HD12 LEU 20 HD12 LEU 20 3.203 -0.477 3.382
131 HD13 LEU 20 HD13 LEU 20 1.636 -1.100 3.902
132 HD21 LEU 20 HD21 LEU 20 0.931 1.042 0.935
133 HD22 LEU 20 HD22 LEU 20 0.673 -0.568 1.605
134 HD23 LEU 20 HD23 LEU 20 2.297 -0.050 1.163
135 H PHE 21 HN PHE 21 -2.295 2.070 1.363
136 HA PHE 21 HA PHE 21 -4.407 2.341 3.399
137 HB2 PHE 21 HB2 PHE 21 -4.588 2.776 0.402
138 HB3 PHE 21 HB1 PHE 21 -5.913 2.989 1.551
139 HD1 PHE 21 HD1 PHE 21 -5.583 4.729 3.408
140 HD2 PHE 21 HD2 PHE 21 -3.145 4.532 -0.081
141 HE1 PHE 21 HE1 PHE 21 -4.853 7.040 3.791
142 HE2 PHE 21 HE2 PHE 21 -2.414 6.846 0.299
143 HZ PHE 21 HZ PHE 21 -3.267 8.102 2.240
144 H CYS 22 HN CYS 22 -2.940 -0.005 3.032
145 HA CYS 22 HA CYS 22 -5.040 -1.825 2.103
146 HB2 CYS 22 HB2 CYS 22 -2.096 -1.907 1.472
147 HB3 CYS 22 HB1 CYS 22 -3.092 -3.359 1.400
148 H CYS 23 HN CYS 23 -5.077 -3.844 3.154
149 HA CYS 23 HA CYS 23 -4.144 -3.811 5.876
150 HB2 CYS 23 HB2 CYS 23 -5.356 -5.863 6.152
151 HB3 CYS 23 HB1 CYS 23 -6.344 -4.854 5.098
152 H ASP 24 HN ASP 24 -2.915 -5.851 6.674
153 HA ASP 24 HA ASP 24 -0.375 -5.741 5.564
154 HB2 ASP 24 HB2 ASP 24 -1.626 -7.837 7.333
155 HB3 ASP 24 HB1 ASP 24 0.069 -7.881 6.860
156 H THR 25 HN THR 25 -2.930 -8.116 4.967
157 HA THR 25 HA THR 25 -1.407 -9.939 3.497
158 HB THR 25 HB THR 25 -4.336 -9.364 3.077
159 HG1 THR 25 HG1 THR 25 -3.084 -10.980 5.073
160 HG21 THR 25 HG21 THR 25 -3.306 -10.953 1.506
161 HG22 THR 25 HG22 THR 25 -4.460 -11.750 2.574
162 HG23 THR 25 HG23 THR 25 -2.731 -11.915 2.868
163 H CYS 26 HN CYS 26 -3.515 -7.292 2.310
164 HA CYS 26 HA CYS 26 -2.876 -7.815 -0.419
165 HB2 CYS 26 HB2 CYS 26 -4.071 -5.323 0.800
166 HB3 CYS 26 HB1 CYS 26 -4.035 -5.701 -0.913
167 H SER 27 HN SER 27 -1.533 -5.680 2.037
168 HA SER 27 HA SER 27 -0.095 -4.001 0.267
169 HB2 SER 27 HB2 SER 27 -0.590 -3.386 2.613
170 HB3 SER 27 HB1 SER 27 0.496 -4.658 3.163
171 HG SER 27 HG SER 27 1.180 -2.362 1.638
172 H ARG 28 HN ARG 28 0.597 -7.088 1.776
173 HA ARG 28 HA ARG 28 3.360 -7.073 1.039
174 HB2 ARG 28 HB2 ARG 28 1.526 -9.246 2.044
175 HB3 ARG 28 HB1 ARG 28 3.231 -9.512 1.699
176 HG2 ARG 28 HG2 ARG 28 3.876 -7.935 3.394
177 HG3 ARG 28 HG1 ARG 28 2.197 -7.469 3.660
178 HD2 ARG 28 HD2 ARG 28 1.703 -9.751 4.423
179 HD3 ARG 28 HD1 ARG 28 3.395 -10.187 4.189
180 HE ARG 28 HE ARG 28 3.777 -8.264 5.869
181 HH11 ARG 28 HH11 ARG 28 1.077 -10.496 5.920
182 HH12 ARG 28 HH12 ARG 28 0.851 -10.380 7.636
183 HH21 ARG 28 HH21 ARG 28 3.491 -8.124 8.131
184 HH22 ARG 28 HH22 ARG 28 2.229 -9.041 8.894
185 H VAL 29 HN VAL 29 0.438 -7.869 -0.596
186 HA VAL 29 HA VAL 29 1.862 -9.441 -2.596
187 HB VAL 29 HB VAL 29 -1.082 -8.775 -2.469
188 HG11 VAL 29 HG11 VAL 29 -0.325 -9.319 -4.725
189 HG12 VAL 29 HG12 VAL 29 -1.335 -10.610 -4.075
190 HG13 VAL 29 HG13 VAL 29 0.417 -10.803 -4.127
191 HG21 VAL 29 HG21 VAL 29 0.401 -11.243 -1.586
192 HG22 VAL 29 HG22 VAL 29 -1.352 -11.106 -1.702
193 HG23 VAL 29 HG23 VAL 29 -0.464 -10.106 -0.554
194 H PHE 30 HN PHE 30 0.110 -6.372 -2.301
195 HA PHE 30 HA PHE 30 1.157 -5.624 -4.958
196 HB2 PHE 30 HB2 PHE 30 -1.488 -4.721 -3.783
197 HB3 PHE 30 HB1 PHE 30 -0.858 -4.315 -5.375
198 HD1 PHE 30 HD1 PHE 30 -0.392 -6.382 -6.946
199 HD2 PHE 30 HD2 PHE 30 -2.993 -6.426 -3.572
200 HE1 PHE 30 HE1 PHE 30 -1.577 -8.317 -7.886
201 HE2 PHE 30 HE2 PHE 30 -4.174 -8.369 -4.505
202 HZ PHE 30 HZ PHE 30 -3.470 -9.318 -6.667
203 H HIS 31 HN HIS 31 2.770 -5.070 -2.972
204 HA HIS 31 HA HIS 31 2.278 -2.992 -1.227
205 HB2 HIS 31 HB2 HIS 31 4.253 -4.464 -1.142
206 HB3 HIS 31 HB1 HIS 31 4.906 -3.659 -2.563
207 HD1 HIS 31 HD1 HIS 31 3.832 -2.647 0.973
208 HD2 HIS 31 HD2 HIS 31 6.628 -1.704 -1.950
209 HE1 HIS 31 HE1 HIS 31 5.363 -0.901 1.990
210 H GLU 32 HN GLU 32 3.586 -2.757 -4.519
211 HA GLU 32 HA GLU 32 4.185 0.011 -4.389
212 HB2 GLU 32 HB2 GLU 32 3.618 -1.742 -6.787
213 HB3 GLU 32 HB1 GLU 32 4.312 -0.130 -6.859
214 HG2 GLU 32 HG2 GLU 32 6.318 -0.831 -5.869
215 HG3 GLU 32 HG1 GLU 32 5.616 -2.358 -5.334
216 H ASP 33 HN ASP 33 1.485 -1.796 -5.744
217 HA ASP 33 HA ASP 33 0.072 0.434 -6.753
218 HB2 ASP 33 HB2 ASP 33 -0.859 -2.363 -6.073
219 HB3 ASP 33 HB1 ASP 33 -1.831 -1.178 -6.937
220 H CYS 34 HN CYS 34 0.291 -1.018 -3.638
221 HA CYS 34 HA CYS 34 -2.149 0.093 -2.617
222 HB2 CYS 34 HB2 CYS 34 0.165 -1.398 -1.434
223 HB3 CYS 34 HB1 CYS 34 -0.978 -0.574 -0.373
224 H HIS 35 HN HIS 35 0.744 1.504 -3.408
225 HA HIS 35 HA HIS 35 0.369 3.666 -1.439
226 HB2 HIS 35 HB2 HIS 35 2.659 3.074 -3.321
227 HB3 HIS 35 HB1 HIS 35 2.550 4.523 -2.329
228 HD1 HIS 35 HD1 HIS 35 2.962 4.215 0.249
229 HD2 HIS 35 HD2 HIS 35 3.355 0.767 -2.025
230 HE1 HIS 35 HE1 HIS 35 4.214 2.555 1.687
231 H ILE 36 HN ILE 36 0.759 2.985 -4.873
232 HA ILE 36 HA ILE 36 -0.668 5.451 -5.510
233 HB ILE 36 HB ILE 36 0.968 5.536 -7.576
234 HG12 ILE 36 HG12 ILE 36 3.354 5.091 -6.607
235 HG13 ILE 36 HG11 ILE 36 2.522 3.992 -5.519
236 HG21 ILE 36 HG21 ILE 36 2.417 7.122 -6.306
237 HG22 ILE 36 HG22 ILE 36 1.603 6.596 -4.831
238 HG23 ILE 36 HG23 ILE 36 0.687 7.388 -6.111
239 HD11 ILE 36 HD11 ILE 36 1.668 2.751 -7.452
240 HD12 ILE 36 HD12 ILE 36 3.430 2.800 -7.409
241 HD13 ILE 36 HD13 ILE 36 2.544 3.843 -8.523
242 HA PRO 37 HA PRO 37 -1.622 6.421 -7.071
243 HB2 PRO 37 HB2 PRO 37 -4.205 6.566 -7.832
244 HB3 PRO 37 HB1 PRO 37 -2.889 6.471 -9.022
245 HG2 PRO 37 HG2 PRO 37 -4.684 4.288 -7.986
246 HG3 PRO 37 HG1 PRO 37 -4.194 4.628 -9.659
247 HD2 PRO 37 HD2 PRO 37 -3.011 2.707 -8.134
248 HD3 PRO 37 HD1 PRO 37 -2.144 3.603 -9.401
249 HA PRO 38 HA PRO 38 -3.421 5.858 -3.037
250 HB2 PRO 38 HB2 PRO 38 -3.414 8.438 -2.235
251 HB3 PRO 38 HB1 PRO 38 -1.940 7.467 -2.328
252 HG2 PRO 38 HG2 PRO 38 -2.994 9.507 -4.245
253 HG3 PRO 38 HG1 PRO 38 -1.324 9.225 -3.717
254 HD2 PRO 38 HD2 PRO 38 -2.335 8.329 -6.107
255 HD3 PRO 38 HD1 PRO 38 -1.000 7.538 -5.243
256 H VAL 39 HN VAL 39 -5.432 5.956 -2.133
257 HA VAL 39 HA VAL 39 -7.585 6.949 -3.746
258 HB VAL 39 HB VAL 39 -7.850 4.839 -2.577
259 HG11 VAL 39 HG11 VAL 39 -8.186 4.824 -0.096
260 HG12 VAL 39 HG12 VAL 39 -7.504 6.448 -0.063
261 HG13 VAL 39 HG13 VAL 39 -6.530 5.092 -0.627
262 HG21 VAL 39 HG21 VAL 39 -9.846 6.163 -3.054
263 HG22 VAL 39 HG22 VAL 39 -9.722 6.918 -1.467
264 HG23 VAL 39 HG23 VAL 39 -10.042 5.191 -1.596
265 H GLU 40 HN GLU 40 -6.959 9.188 -3.736
266 HA GLU 40 HA GLU 40 -6.775 10.598 -1.240
267 HB2 GLU 40 HB2 GLU 40 -6.774 11.644 -4.072
268 HB3 GLU 40 HB1 GLU 40 -6.406 12.596 -2.641
269 HG2 GLU 40 HG2 GLU 40 -4.510 11.052 -2.176
270 HG3 GLU 40 HG1 GLU 40 -4.844 10.264 -3.718
271 H ALA 41 HN ALA 41 -9.339 9.760 -3.260
272 HA ALA 41 HA ALA 41 -11.052 11.974 -2.753
273 HB1 ALA 41 HB1 ALA 41 -12.861 10.501 -3.502
274 HB2 ALA 41 HB2 ALA 41 -11.755 9.127 -3.461
275 HB3 ALA 41 HB3 ALA 41 -11.483 10.446 -4.599
276 H GLU 42 HN GLU 42 -10.181 9.117 -1.027
277 HA GLU 42 HA GLU 42 -11.331 10.106 1.384
278 HB2 GLU 42 HB2 GLU 42 -12.635 7.939 1.790
279 HB3 GLU 42 HB1 GLU 42 -13.357 9.133 0.723
280 HG2 GLU 42 HG2 GLU 42 -12.578 7.855 -1.216
281 HG3 GLU 42 HG1 GLU 42 -11.892 6.648 -0.131
282 H ARG 43 HN ARG 43 -9.065 10.052 1.807
283 HA ARG 43 HA ARG 43 -7.587 7.617 1.722
284 HB2 ARG 43 HB2 ARG 43 -6.945 10.158 3.224
285 HB3 ARG 43 HB1 ARG 43 -5.830 8.840 2.901
286 HG2 ARG 43 HG2 ARG 43 -6.349 9.323 0.415
287 HG3 ARG 43 HG1 ARG 43 -6.950 10.870 1.017
288 HD2 ARG 43 HD2 ARG 43 -4.182 9.741 1.386
289 HD3 ARG 43 HD1 ARG 43 -4.636 11.094 0.355
290 HE ARG 43 HE ARG 43 -5.300 12.233 2.497
291 HH11 ARG 43 HH11 ARG 43 -2.784 9.798 2.374
292 HH12 ARG 43 HH12 ARG 43 -1.994 10.343 3.825
293 HH21 ARG 43 HH21 ARG 43 -4.222 13.018 4.352
294 HH22 ARG 43 HH22 ARG 43 -2.797 12.209 4.924
295 H THR 44 HN THR 44 -8.099 5.981 2.978
296 HA THR 44 HA THR 44 -8.506 6.498 5.842
297 HB THR 44 HB THR 44 -10.014 4.514 5.876
298 HG1 THR 44 HG1 THR 44 -9.162 3.670 3.819
299 HG21 THR 44 HG21 THR 44 -10.958 6.777 5.755
300 HG22 THR 44 HG22 THR 44 -11.951 5.625 4.860
301 HG23 THR 44 HG23 THR 44 -10.871 6.721 3.993
302 HA PRO 45 HA PRO 45 -4.820 3.811 5.502
303 HB2 PRO 45 HB2 PRO 45 -4.394 4.680 8.281
304 HB3 PRO 45 HB1 PRO 45 -3.326 4.829 6.881
305 HG2 PRO 45 HG2 PRO 45 -4.565 6.966 7.957
306 HG3 PRO 45 HG1 PRO 45 -4.248 6.834 6.217
307 HD2 PRO 45 HD2 PRO 45 -6.805 6.371 7.720
308 HD3 PRO 45 HD1 PRO 45 -6.547 7.170 6.150
309 H TRP 46 HN TRP 46 -7.340 3.950 7.901
310 HA TRP 46 HA TRP 46 -6.605 1.395 9.062
311 HB2 TRP 46 HB2 TRP 46 -8.723 1.802 10.438
312 HB3 TRP 46 HB1 TRP 46 -7.405 2.950 10.663
313 HD1 TRP 46 HD1 TRP 46 -10.911 2.689 9.116
314 HE1 TRP 46 HE1 TRP 46 -11.822 5.062 8.739
315 HE3 TRP 46 HE3 TRP 46 -6.719 5.371 10.301
316 HZ2 TRP 46 HZ2 TRP 46 -10.895 7.713 8.919
317 HZ3 TRP 46 HZ3 TRP 46 -6.820 7.829 10.169
318 HH2 TRP 46 HH2 TRP 46 -8.862 8.971 9.491
319 H ASN 47 HN ASN 47 -7.979 2.139 6.260
320 HA ASN 47 HA ASN 47 -9.738 -0.220 6.314
321 HB2 ASN 47 HB2 ASN 47 -10.212 2.377 4.828
322 HB3 ASN 47 HB1 ASN 47 -11.117 0.901 4.537
323 HD21 ASN 47 HD21 ASN 47 -11.236 0.115 7.323
324 HD22 ASN 47 HD22 ASN 47 -12.357 1.194 8.085
325 H CYS 48 HN CYS 48 -9.397 -1.667 4.667
326 HA CYS 48 HA CYS 48 -7.139 -1.079 2.927
327 HB2 CYS 48 HB2 CYS 48 -7.303 -3.260 4.156
328 HB3 CYS 48 HB1 CYS 48 -8.727 -3.650 3.197
329 H ILE 49 HN ILE 49 -7.439 -0.279 0.944
330 HA ILE 49 HA ILE 49 -10.074 -0.304 -0.233
331 HB ILE 49 HB ILE 49 -9.000 0.926 -2.138
332 HG12 ILE 49 HG12 ILE 49 -6.586 1.031 -0.327
333 HG13 ILE 49 HG11 ILE 49 -6.697 0.011 -1.758
334 HG21 ILE 49 HG21 ILE 49 -8.652 2.091 0.620
335 HG22 ILE 49 HG22 ILE 49 -10.127 2.108 -0.346
336 HG23 ILE 49 HG23 ILE 49 -8.711 3.012 -0.882
337 HD11 ILE 49 HD11 ILE 49 -6.932 1.994 -3.153
338 HD12 ILE 49 HD12 ILE 49 -5.449 2.054 -2.200
339 HD13 ILE 49 HD13 ILE 49 -6.847 3.018 -1.722
340 H PHE 50 HN PHE 50 -7.159 -2.125 -0.524
341 HA PHE 50 HA PHE 50 -7.777 -3.129 -3.134
342 HB2 PHE 50 HB2 PHE 50 -5.528 -3.413 -1.297
343 HB3 PHE 50 HB1 PHE 50 -5.949 -4.924 -2.112
344 HD1 PHE 50 HD2 PHE 50 -5.038 -1.387 -2.668
345 HD2 PHE 50 HD1 PHE 50 -5.478 -5.247 -4.406
346 HE1 PHE 50 HE2 PHE 50 -3.867 -0.611 -4.684
347 HE2 PHE 50 HE1 PHE 50 -4.303 -4.479 -6.420
348 HZ PHE 50 HZ PHE 50 -3.622 -2.149 -6.630
349 H CYS 51 HN CYS 51 -8.412 -4.153 0.154
350 HA CYS 51 HA CYS 51 -9.348 -6.739 -0.442
351 HB2 CYS 51 HB2 CYS 51 -9.875 -4.793 1.757
352 HB3 CYS 51 HB1 CYS 51 -11.004 -6.127 1.560
353 H ARG 52 HN ARG 52 -10.881 -3.576 -0.748
354 HA ARG 52 HA ARG 52 -13.410 -4.722 -1.530
355 HB2 ARG 52 HB2 ARG 52 -12.456 -1.854 -1.629
356 HB3 ARG 52 HB1 ARG 52 -14.105 -2.386 -1.909
357 HG2 ARG 52 HG2 ARG 52 -14.245 -3.183 0.396
358 HG3 ARG 52 HG1 ARG 52 -12.583 -2.657 0.678
359 HD2 ARG 52 HD2 ARG 52 -14.142 -1.005 1.527
360 HD3 ARG 52 HD1 ARG 52 -13.244 -0.350 0.159
361 HE ARG 52 HE ARG 52 -15.899 -1.499 -0.314
362 HH11 ARG 52 HH11 ARG 52 -13.823 1.327 -0.169
363 HH12 ARG 52 HH12 ARG 52 -14.950 2.347 -1.001
364 HH21 ARG 52 HH21 ARG 52 -17.373 -0.149 -1.400
365 HH22 ARG 52 HH22 ARG 52 -16.967 1.515 -1.687
366 H MET 53 HN MET 53 -10.502 -3.843 -3.052
367 HA MET 53 HA MET 53 -11.704 -3.405 -5.665
368 HB2 MET 53 HB2 MET 53 -9.797 -2.023 -5.002
369 HB3 MET 53 HB1 MET 53 -8.809 -3.460 -4.795
370 HG2 MET 53 HG2 MET 53 -8.942 -3.919 -7.174
371 HG3 MET 53 HG1 MET 53 -9.990 -2.519 -7.398
372 HE1 MET 53 HE1 MET 53 -6.631 -1.385 -9.078
373 HE2 MET 53 HE2 MET 53 -8.368 -1.593 -9.298
374 HE3 MET 53 HE3 MET 53 -7.332 -3.004 -9.083
375 H LYS 54 HN LYS 54 -9.736 -5.798 -4.006
376 HA LYS 54 HA LYS 54 -9.328 -7.483 -6.257
377 HB2 LYS 54 HB2 LYS 54 -7.946 -7.281 -4.113
378 HB3 LYS 54 HB1 LYS 54 -9.164 -8.293 -3.357
379 HG2 LYS 54 HG2 LYS 54 -8.645 -10.116 -4.843
380 HG3 LYS 54 HG1 LYS 54 -7.531 -9.094 -5.757
381 HD2 LYS 54 HD2 LYS 54 -6.141 -8.832 -3.751
382 HD3 LYS 54 HD1 LYS 54 -7.245 -9.873 -2.854
383 HE2 LYS 54 HE2 LYS 54 -5.685 -10.701 -5.298
384 HE3 LYS 54 HE1 LYS 54 -5.219 -11.049 -3.635
385 HZ1 LYS 54 HZ1 LYS 54 -7.293 -12.285 -3.374
386 HZ2 LYS 54 HZ2 LYS 54 -6.338 -12.929 -4.615
387 HZ3 LYS 54 HZ3 LYS 54 -7.684 -11.984 -4.992
388 H GLU 55 HN GLU 55 -12.174 -6.781 -5.142
389 HA GLU 55 HA GLU 55 -13.359 -9.392 -4.810
390 HB2 GLU 55 HB2 GLU 55 -14.675 -6.727 -5.380
391 HB3 GLU 55 HB1 GLU 55 -15.492 -8.193 -4.868
392 HG2 GLU 55 HG2 GLU 55 -13.378 -6.894 -3.191
393 HG3 GLU 55 HG1 GLU 55 -15.067 -6.397 -3.119
394 H SER 56 HN SER 56 -12.294 -10.181 -6.821
395 HA SER 56 HA SER 56 -13.236 -9.111 -9.324
396 HB2 SER 56 HB2 SER 56 -11.878 -11.221 -10.139
397 HB3 SER 56 HB1 SER 56 -11.040 -9.795 -9.528
398 HG SER 56 HG SER 56 -11.565 -12.240 -8.195
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 10.217 -10.671 2.661
2 H2 GLY 1 HT2 GLY 1 9.511 -11.321 1.266
3 H3 GLY 1 HT3 GLY 1 10.312 -9.834 1.191
4 HA2 GLY 1 HA1 GLY 1 11.683 -11.567 0.243
5 HA3 GLY 1 HA2 GLY 1 12.414 -10.900 1.697
6 H ALA 2 HN ALA 2 13.617 -12.929 1.745
7 HA ALA 2 HA ALA 2 12.136 -15.349 2.350
8 HB1 ALA 2 HB1 ALA 2 14.333 -16.415 2.475
9 HB2 ALA 2 HB2 ALA 2 15.110 -14.838 2.342
10 HB3 ALA 2 HB3 ALA 2 14.170 -15.472 0.992
11 H MET 3 HN MET 3 13.681 -12.786 4.022
12 HA MET 3 HA MET 3 12.959 -14.017 6.578
13 HB2 MET 3 HB2 MET 3 15.384 -14.418 6.216
14 HB3 MET 3 HB1 MET 3 15.628 -12.685 6.050
15 HG2 MET 3 HG2 MET 3 16.269 -13.421 8.262
16 HG3 MET 3 HG1 MET 3 14.869 -12.357 8.354
17 HE1 MET 3 HE1 MET 3 15.889 -14.294 10.718
18 HE2 MET 3 HE2 MET 3 14.340 -14.887 11.317
19 HE3 MET 3 HE3 MET 3 14.521 -13.192 10.866
20 H GLY 4 HN GLY 4 11.173 -12.518 6.169
21 HA2 GLY 4 HA2 GLY 4 10.425 -10.533 7.405
22 HA3 GLY 4 HA1 GLY 4 11.905 -9.745 6.870
23 H MET 5 HN MET 5 10.094 -8.167 6.206
24 HA MET 5 HA MET 5 9.615 -8.656 3.368
25 HB2 MET 5 HB2 MET 5 7.539 -9.270 4.614
26 HB3 MET 5 HB1 MET 5 7.459 -7.618 5.215
27 HG2 MET 5 HG2 MET 5 5.967 -7.968 3.321
28 HG3 MET 5 HG1 MET 5 7.215 -6.780 2.952
29 HE1 MET 5 HE1 MET 5 6.581 -7.032 0.369
30 HE2 MET 5 HE2 MET 5 5.384 -8.272 0.738
31 HE3 MET 5 HE3 MET 5 6.605 -8.567 -0.499
32 H ARG 6 HN ARG 6 11.462 -7.219 3.350
33 HA ARG 6 HA ARG 6 10.853 -4.426 3.988
34 HB2 ARG 6 HB2 ARG 6 13.458 -5.702 3.136
35 HB3 ARG 6 HB1 ARG 6 13.245 -4.018 3.593
36 HG2 ARG 6 HG2 ARG 6 12.536 -4.780 5.848
37 HG3 ARG 6 HG1 ARG 6 12.933 -6.431 5.365
38 HD2 ARG 6 HD2 ARG 6 15.248 -5.697 4.902
39 HD3 ARG 6 HD1 ARG 6 14.828 -4.088 5.490
40 HE ARG 6 HE ARG 6 14.533 -6.433 7.234
41 HH11 ARG 6 HH11 ARG 6 15.964 -3.307 6.551
42 HH12 ARG 6 HH12 ARG 6 16.678 -3.155 8.125
43 HH21 ARG 6 HH21 ARG 6 15.470 -6.226 9.300
44 HH22 ARG 6 HH22 ARG 6 16.395 -4.813 9.687
45 H ASN 7 HN ASN 7 9.317 -5.162 1.998
46 HA ASN 7 HA ASN 7 10.556 -4.797 -0.577
47 HB2 ASN 7 HB2 ASN 7 8.491 -6.202 -0.191
48 HB3 ASN 7 HB1 ASN 7 7.598 -4.706 0.067
49 HD21 ASN 7 HD21 ASN 7 10.171 -5.242 -2.274
50 HD22 ASN 7 HD22 ASN 7 9.191 -5.008 -3.675
51 H LEU 8 HN LEU 8 9.406 -2.802 1.885
52 HA LEU 8 HA LEU 8 8.561 -0.591 0.297
53 HB2 LEU 8 HB2 LEU 8 8.557 0.639 2.456
54 HB3 LEU 8 HB1 LEU 8 7.604 -0.829 2.456
55 HG LEU 8 HG LEU 8 9.751 -1.895 3.517
56 HD11 LEU 8 HD11 LEU 8 11.018 -0.370 4.900
57 HD12 LEU 8 HD12 LEU 8 10.099 0.998 4.278
58 HD13 LEU 8 HD13 LEU 8 11.161 0.090 3.204
59 HD21 LEU 8 HD21 LEU 8 7.579 -1.720 4.608
60 HD22 LEU 8 HD22 LEU 8 7.926 -0.048 5.052
61 HD23 LEU 8 HD23 LEU 8 8.885 -1.361 5.737
62 H ASP 9 HN ASP 9 11.571 -1.826 0.834
63 HA ASP 9 HA ASP 9 13.024 0.627 1.158
64 HB2 ASP 9 HB2 ASP 9 13.807 -2.215 0.649
65 HB3 ASP 9 HB1 ASP 9 14.984 -0.932 0.396
66 H GLU 10 HN GLU 10 12.187 -1.474 -1.513
67 HA GLU 10 HA GLU 10 13.548 0.095 -3.486
68 HB2 GLU 10 HB2 GLU 10 11.333 -1.933 -3.856
69 HB3 GLU 10 HB1 GLU 10 12.411 -1.333 -5.105
70 HG2 GLU 10 HG2 GLU 10 14.293 -2.402 -4.092
71 HG3 GLU 10 HG1 GLU 10 13.340 -2.859 -2.684
72 H CYS 11 HN CYS 11 10.516 0.159 -1.936
73 HA CYS 11 HA CYS 11 9.079 1.748 -3.800
74 HB2 CYS 11 HB2 CYS 11 8.091 0.194 -2.166
75 HB3 CYS 11 HB1 CYS 11 8.667 1.210 -0.863
76 H GLU 12 HN GLU 12 9.898 3.716 -4.260
77 HA GLU 12 HA GLU 12 11.428 5.273 -2.462
78 HB2 GLU 12 HB2 GLU 12 10.108 5.986 -5.074
79 HB3 GLU 12 HB1 GLU 12 11.131 7.092 -4.170
80 HG2 GLU 12 HG2 GLU 12 11.969 4.441 -5.320
81 HG3 GLU 12 HG1 GLU 12 12.372 6.033 -5.956
82 H VAL 13 HN VAL 13 7.993 5.139 -3.134
83 HA VAL 13 HA VAL 13 7.436 7.672 -1.966
84 HB VAL 13 HB VAL 13 5.857 6.676 -3.538
85 HG11 VAL 13 HG11 VAL 13 4.418 4.837 -2.911
86 HG12 VAL 13 HG12 VAL 13 5.295 4.650 -1.394
87 HG13 VAL 13 HG13 VAL 13 6.108 4.337 -2.928
88 HG21 VAL 13 HG21 VAL 13 4.689 7.037 -0.789
89 HG22 VAL 13 HG22 VAL 13 3.794 7.121 -2.306
90 HG23 VAL 13 HG23 VAL 13 5.038 8.320 -1.947
91 H CYS 14 HN CYS 14 7.598 4.365 -0.736
92 HA CYS 14 HA CYS 14 6.779 4.992 1.905
93 HB2 CYS 14 HB2 CYS 14 8.220 2.736 0.621
94 HB3 CYS 14 HB1 CYS 14 8.410 2.923 2.358
95 H ARG 15 HN ARG 15 9.767 5.214 0.166
96 HA ARG 15 HA ARG 15 11.462 5.854 2.343
97 HB2 ARG 15 HB2 ARG 15 12.301 5.137 0.141
98 HB3 ARG 15 HB1 ARG 15 11.688 6.620 -0.572
99 HG2 ARG 15 HG2 ARG 15 13.236 7.911 0.831
100 HG3 ARG 15 HG1 ARG 15 13.879 6.402 1.481
101 HD2 ARG 15 HD2 ARG 15 14.565 5.724 -0.763
102 HD3 ARG 15 HD1 ARG 15 13.903 7.218 -1.422
103 HE ARG 15 HE ARG 15 15.913 7.577 0.625
104 HH11 ARG 15 HH11 ARG 15 15.276 7.251 -2.810
105 HH12 ARG 15 HH12 ARG 15 16.755 8.033 -3.280
106 HH21 ARG 15 HH21 ARG 15 17.860 8.587 0.006
107 HH22 ARG 15 HH22 ARG 15 18.232 8.784 -1.678
108 H ASP 16 HN ASP 16 9.429 7.764 0.199
109 HA ASP 16 HA ASP 16 10.087 10.284 1.370
110 HB2 ASP 16 HB2 ASP 16 7.775 9.399 -0.357
111 HB3 ASP 16 HB1 ASP 16 7.942 11.049 0.232
112 H GLY 17 HN GLY 17 8.606 7.739 2.757
113 HA2 GLY 17 HA2 GLY 17 7.546 7.638 4.821
114 HA3 GLY 17 HA1 GLY 17 7.424 9.392 4.808
115 H GLY 18 HN GLY 18 6.272 7.519 2.122
116 HA2 GLY 18 HA2 GLY 18 3.642 8.532 2.281
117 HA3 GLY 18 HA1 GLY 18 4.174 7.211 1.254
118 H GLU 19 HN GLU 19 1.677 7.257 2.397
119 HA GLU 19 HA GLU 19 1.790 5.429 4.677
120 HB2 GLU 19 HB2 GLU 19 -0.362 7.173 3.531
121 HB3 GLU 19 HB1 GLU 19 -0.760 5.856 4.627
122 HG2 GLU 19 HG2 GLU 19 1.040 8.199 5.215
123 HG3 GLU 19 HG1 GLU 19 -0.596 7.956 5.827
124 H LEU 20 HN LEU 20 0.240 3.660 4.722
125 HA LEU 20 HA LEU 20 -0.136 2.438 2.079
126 HB2 LEU 20 HB2 LEU 20 0.419 1.288 4.787
127 HB3 LEU 20 HB1 LEU 20 -0.387 0.318 3.571
128 HG LEU 20 HG LEU 20 2.293 1.623 3.109
129 HD11 LEU 20 HD11 LEU 20 1.692 -1.186 4.036
130 HD12 LEU 20 HD12 LEU 20 2.453 0.081 5.000
131 HD13 LEU 20 HD13 LEU 20 3.278 -0.562 3.581
132 HD21 LEU 20 HD21 LEU 20 0.810 -0.607 1.709
133 HD22 LEU 20 HD22 LEU 20 2.445 -0.076 1.327
134 HD23 LEU 20 HD23 LEU 20 1.087 1.019 1.083
135 H PHE 21 HN PHE 21 -2.143 1.804 1.479
136 HA PHE 21 HA PHE 21 -4.327 2.440 3.354
137 HB2 PHE 21 HB2 PHE 21 -4.446 2.432 0.320
138 HB3 PHE 21 HB1 PHE 21 -5.664 3.062 1.429
139 HD1 PHE 21 HD1 PHE 21 -5.087 5.091 2.833
140 HD2 PHE 21 HD2 PHE 21 -2.658 3.789 -0.418
141 HE1 PHE 21 HE1 PHE 21 -3.992 7.284 2.771
142 HE2 PHE 21 HE2 PHE 21 -1.566 5.990 -0.481
143 HZ PHE 21 HZ PHE 21 -2.230 7.739 1.115
144 H CYS 22 HN CYS 22 -2.904 -0.032 3.225
145 HA CYS 22 HA CYS 22 -5.062 -1.843 2.419
146 HB2 CYS 22 HB2 CYS 22 -2.132 -2.185 1.733
147 HB3 CYS 22 HB1 CYS 22 -3.419 -3.322 1.336
148 H CYS 23 HN CYS 23 -4.909 -3.974 3.401
149 HA CYS 23 HA CYS 23 -3.981 -4.057 6.089
150 HB2 CYS 23 HB2 CYS 23 -4.552 -6.489 4.388
151 HB3 CYS 23 HB1 CYS 23 -4.756 -6.308 6.130
152 H ASP 24 HN ASP 24 -2.329 -5.701 6.872
153 HA ASP 24 HA ASP 24 0.158 -5.405 5.718
154 HB2 ASP 24 HB2 ASP 24 -0.854 -7.704 7.400
155 HB3 ASP 24 HB1 ASP 24 0.839 -7.468 6.983
156 H THR 25 HN THR 25 -1.991 -8.220 5.385
157 HA THR 25 HA THR 25 -0.423 -9.658 3.592
158 HB THR 25 HB THR 25 -3.436 -9.660 3.764
159 HG1 THR 25 HG1 THR 25 -1.419 -10.684 5.422
160 HG21 THR 25 HG21 THR 25 -2.577 -10.867 1.824
161 HG22 THR 25 HG22 THR 25 -3.222 -11.992 3.019
162 HG23 THR 25 HG23 THR 25 -1.480 -11.776 2.862
163 H CYS 26 HN CYS 26 -3.064 -7.362 2.956
164 HA CYS 26 HA CYS 26 -3.016 -7.659 0.149
165 HB2 CYS 26 HB2 CYS 26 -3.997 -5.298 1.770
166 HB3 CYS 26 HB1 CYS 26 -4.435 -5.669 0.106
167 H SER 27 HN SER 27 -1.281 -5.580 2.367
168 HA SER 27 HA SER 27 -0.122 -3.864 0.412
169 HB2 SER 27 HB2 SER 27 -0.253 -3.184 2.753
170 HB3 SER 27 HB1 SER 27 0.764 -4.538 3.229
171 HG SER 27 HG SER 27 2.167 -2.904 3.076
172 H ARG 28 HN ARG 28 0.783 -6.969 1.789
173 HA ARG 28 HA ARG 28 3.457 -6.876 0.764
174 HB2 ARG 28 HB2 ARG 28 1.805 -9.130 1.900
175 HB3 ARG 28 HB1 ARG 28 3.473 -9.321 1.381
176 HG2 ARG 28 HG2 ARG 28 4.141 -7.597 3.021
177 HG3 ARG 28 HG1 ARG 28 2.472 -7.522 3.581
178 HD2 ARG 28 HD2 ARG 28 3.799 -8.944 5.035
179 HD3 ARG 28 HD1 ARG 28 2.575 -9.891 4.193
180 HE ARG 28 HE ARG 28 4.723 -10.191 2.599
181 HH11 ARG 28 HH11 ARG 28 4.279 -10.557 6.045
182 HH12 ARG 28 HH12 ARG 28 5.523 -11.753 6.210
183 HH21 ARG 28 HH21 ARG 28 6.364 -11.774 2.808
184 HH22 ARG 28 HH22 ARG 28 6.697 -12.458 4.369
185 H VAL 29 HN VAL 29 0.380 -7.830 -0.460
186 HA VAL 29 HA VAL 29 1.556 -9.356 -2.631
187 HB VAL 29 HB VAL 29 -1.344 -8.696 -2.100
188 HG11 VAL 29 HG11 VAL 29 -0.112 -10.674 -4.013
189 HG12 VAL 29 HG12 VAL 29 -0.906 -9.166 -4.461
190 HG13 VAL 29 HG13 VAL 29 -1.836 -10.464 -3.713
191 HG21 VAL 29 HG21 VAL 29 -0.423 -10.087 -0.345
192 HG22 VAL 29 HG22 VAL 29 0.245 -11.195 -1.543
193 HG23 VAL 29 HG23 VAL 29 -1.503 -11.038 -1.365
194 H PHE 30 HN PHE 30 -0.167 -6.293 -2.140
195 HA PHE 30 HA PHE 30 0.557 -5.553 -4.905
196 HB2 PHE 30 HB2 PHE 30 -1.909 -4.628 -3.415
197 HB3 PHE 30 HB1 PHE 30 -1.488 -4.247 -5.079
198 HD1 PHE 30 HD1 PHE 30 -1.266 -6.279 -6.678
199 HD2 PHE 30 HD2 PHE 30 -3.358 -6.379 -2.968
200 HE1 PHE 30 HE1 PHE 30 -2.536 -8.234 -7.452
201 HE2 PHE 30 HE2 PHE 30 -4.631 -8.335 -3.738
202 HZ PHE 30 HZ PHE 30 -4.307 -9.221 -5.945
203 H HIS 31 HN HIS 31 2.397 -4.929 -3.051
204 HA HIS 31 HA HIS 31 1.950 -2.635 -1.503
205 HB2 HIS 31 HB2 HIS 31 3.879 -4.229 -1.278
206 HB3 HIS 31 HB1 HIS 31 4.595 -3.476 -2.699
207 HD1 HIS 31 HD1 HIS 31 3.393 -2.382 0.765
208 HD2 HIS 31 HD2 HIS 31 6.248 -1.444 -2.105
209 HE1 HIS 31 HE1 HIS 31 4.904 -0.620 1.805
210 H GLU 32 HN GLU 32 3.290 -2.954 -4.765
211 HA GLU 32 HA GLU 32 4.010 -0.234 -5.057
212 HB2 GLU 32 HB2 GLU 32 3.518 -2.445 -7.042
213 HB3 GLU 32 HB1 GLU 32 4.005 -0.831 -7.534
214 HG2 GLU 32 HG2 GLU 32 5.598 -2.416 -5.560
215 HG3 GLU 32 HG1 GLU 32 5.818 -2.607 -7.298
216 H ASP 33 HN ASP 33 1.152 -2.074 -5.888
217 HA ASP 33 HA ASP 33 -0.087 0.099 -7.303
218 HB2 ASP 33 HB2 ASP 33 -0.447 -2.399 -7.738
219 HB3 ASP 33 HB1 ASP 33 -1.480 -2.383 -6.314
220 H CYS 34 HN CYS 34 0.041 -1.012 -4.051
221 HA CYS 34 HA CYS 34 -2.455 0.018 -3.169
222 HB2 CYS 34 HB2 CYS 34 -1.279 -1.728 -1.920
223 HB3 CYS 34 HB1 CYS 34 0.052 -0.623 -1.587
224 H HIS 35 HN HIS 35 0.693 1.416 -3.601
225 HA HIS 35 HA HIS 35 0.076 3.791 -2.080
226 HB2 HIS 35 HB2 HIS 35 2.366 3.121 -3.936
227 HB3 HIS 35 HB1 HIS 35 2.235 4.639 -3.047
228 HD1 HIS 35 HD1 HIS 35 2.502 4.467 -0.392
229 HD2 HIS 35 HD2 HIS 35 3.150 0.930 -2.483
230 HE1 HIS 35 HE1 HIS 35 3.633 2.881 1.219
231 H ILE 36 HN ILE 36 -0.913 2.621 -4.961
232 HA ILE 36 HA ILE 36 -1.186 5.253 -6.239
233 HB ILE 36 HB ILE 36 -1.523 2.477 -7.404
234 HG12 ILE 36 HG12 ILE 36 0.677 4.531 -7.745
235 HG13 ILE 36 HG11 ILE 36 0.806 2.994 -6.898
236 HG21 ILE 36 HG21 ILE 36 -1.556 5.138 -8.819
237 HG22 ILE 36 HG22 ILE 36 -2.976 4.151 -8.474
238 HG23 ILE 36 HG23 ILE 36 -1.726 3.549 -9.562
239 HD11 ILE 36 HD11 ILE 36 0.408 1.819 -9.017
240 HD12 ILE 36 HD12 ILE 36 1.839 2.846 -9.068
241 HD13 ILE 36 HD13 ILE 36 0.348 3.374 -9.847
242 HA PRO 37 HA PRO 37 -2.402 6.363 -7.483
243 HB2 PRO 37 HB2 PRO 37 -4.155 8.383 -7.199
244 HB3 PRO 37 HB1 PRO 37 -4.458 7.047 -8.327
245 HG2 PRO 37 HG2 PRO 37 -5.550 7.499 -5.564
246 HG3 PRO 37 HG1 PRO 37 -6.393 6.938 -7.022
247 HD2 PRO 37 HD2 PRO 37 -5.498 5.266 -5.039
248 HD3 PRO 37 HD1 PRO 37 -5.708 4.769 -6.732
249 HA PRO 38 HA PRO 38 -0.265 8.324 -4.118
250 HB2 PRO 38 HB2 PRO 38 0.597 10.567 -5.491
251 HB3 PRO 38 HB1 PRO 38 1.421 9.004 -5.490
252 HG2 PRO 38 HG2 PRO 38 -0.423 10.179 -7.526
253 HG3 PRO 38 HG1 PRO 38 1.033 9.193 -7.767
254 HD2 PRO 38 HD2 PRO 38 -1.453 8.161 -8.015
255 HD3 PRO 38 HD1 PRO 38 -0.100 7.202 -7.367
256 H VAL 39 HN VAL 39 -0.948 9.622 -2.527
257 HA VAL 39 HA VAL 39 -3.472 10.765 -2.628
258 HB VAL 39 HB VAL 39 -2.502 10.053 -0.533
259 HG11 VAL 39 HG11 VAL 39 -0.802 11.403 0.622
260 HG12 VAL 39 HG12 VAL 39 -0.614 12.377 -0.835
261 HG13 VAL 39 HG13 VAL 39 -0.191 10.667 -0.857
262 HG21 VAL 39 HG21 VAL 39 -3.120 13.002 -0.528
263 HG22 VAL 39 HG22 VAL 39 -3.166 11.936 0.877
264 HG23 VAL 39 HG23 VAL 39 -4.296 11.690 -0.454
265 H GLU 40 HN GLU 40 -4.198 12.508 -3.542
266 HA GLU 40 HA GLU 40 -2.392 14.782 -3.960
267 HB2 GLU 40 HB2 GLU 40 -4.801 13.816 -5.472
268 HB3 GLU 40 HB1 GLU 40 -4.283 15.491 -5.594
269 HG2 GLU 40 HG2 GLU 40 -2.551 13.111 -6.215
270 HG3 GLU 40 HG1 GLU 40 -3.430 14.064 -7.411
271 H ALA 41 HN ALA 41 -5.797 14.058 -3.229
272 HA ALA 41 HA ALA 41 -6.009 16.612 -1.839
273 HB1 ALA 41 HB1 ALA 41 -8.395 16.158 -1.737
274 HB2 ALA 41 HB2 ALA 41 -8.134 14.549 -2.410
275 HB3 ALA 41 HB3 ALA 41 -7.804 15.978 -3.389
276 H GLU 42 HN GLU 42 -7.077 13.292 -1.155
277 HA GLU 42 HA GLU 42 -5.710 13.057 1.296
278 HB2 GLU 42 HB2 GLU 42 -7.671 13.140 2.816
279 HB3 GLU 42 HB1 GLU 42 -7.268 14.703 2.118
280 HG2 GLU 42 HG2 GLU 42 -9.051 14.323 0.423
281 HG3 GLU 42 HG1 GLU 42 -9.518 12.878 1.320
282 H ARG 43 HN ARG 43 -5.737 10.973 1.996
283 HA ARG 43 HA ARG 43 -7.824 9.168 1.046
284 HB2 ARG 43 HB2 ARG 43 -4.864 8.716 0.613
285 HB3 ARG 43 HB1 ARG 43 -6.075 7.451 0.473
286 HG2 ARG 43 HG2 ARG 43 -7.178 8.894 -1.293
287 HG3 ARG 43 HG1 ARG 43 -5.708 9.873 -1.266
288 HD2 ARG 43 HD2 ARG 43 -5.626 8.191 -3.047
289 HD3 ARG 43 HD1 ARG 43 -4.378 7.905 -1.835
290 HE ARG 43 HE ARG 43 -6.819 6.449 -1.371
291 HH11 ARG 43 HH11 ARG 43 -3.759 6.391 -3.089
292 HH12 ARG 43 HH12 ARG 43 -3.668 4.658 -3.106
293 HH21 ARG 43 HH21 ARG 43 -6.697 4.184 -1.401
294 HH22 ARG 43 HH22 ARG 43 -5.342 3.405 -2.153
295 H THR 44 HN THR 44 -8.269 7.535 2.486
296 HA THR 44 HA THR 44 -7.134 7.952 5.127
297 HB THR 44 HB THR 44 -9.042 6.494 5.874
298 HG1 THR 44 HG1 THR 44 -10.486 5.779 4.416
299 HG21 THR 44 HG21 THR 44 -9.221 8.931 5.919
300 HG22 THR 44 HG22 THR 44 -10.766 8.207 5.471
301 HG23 THR 44 HG23 THR 44 -9.741 8.937 4.234
302 HA PRO 45 HA PRO 45 -4.551 4.314 4.571
303 HB2 PRO 45 HB2 PRO 45 -3.915 4.685 7.416
304 HB3 PRO 45 HB1 PRO 45 -2.846 4.737 6.011
305 HG2 PRO 45 HG2 PRO 45 -3.500 6.956 7.394
306 HG3 PRO 45 HG1 PRO 45 -3.214 6.981 5.644
307 HD2 PRO 45 HD2 PRO 45 -5.808 7.002 7.147
308 HD3 PRO 45 HD1 PRO 45 -5.340 7.899 5.683
309 H TRP 46 HN TRP 46 -7.011 4.759 6.972
310 HA TRP 46 HA TRP 46 -6.945 1.960 7.774
311 HB2 TRP 46 HB2 TRP 46 -8.959 2.744 9.208
312 HB3 TRP 46 HB1 TRP 46 -7.353 3.318 9.639
313 HD1 TRP 46 HD1 TRP 46 -10.669 4.534 8.149
314 HE1 TRP 46 HE1 TRP 46 -10.717 7.105 8.246
315 HE3 TRP 46 HE3 TRP 46 -5.866 5.377 9.688
316 HZ2 TRP 46 HZ2 TRP 46 -8.951 9.208 8.896
317 HZ3 TRP 46 HZ3 TRP 46 -5.126 7.699 10.022
318 HH2 TRP 46 HH2 TRP 46 -6.636 9.568 9.631
319 H ASN 47 HN ASN 47 -7.556 2.588 5.066
320 HA ASN 47 HA ASN 47 -10.118 1.200 4.879
321 HB2 ASN 47 HB2 ASN 47 -10.630 3.583 4.495
322 HB3 ASN 47 HB1 ASN 47 -9.400 3.648 3.242
323 HD21 ASN 47 HD21 ASN 47 -9.784 2.629 1.265
324 HD22 ASN 47 HD22 ASN 47 -11.379 2.175 0.765
325 H CYS 48 HN CYS 48 -9.479 -0.678 3.947
326 HA CYS 48 HA CYS 48 -7.180 -0.704 2.192
327 HB2 CYS 48 HB2 CYS 48 -7.536 -2.562 3.786
328 HB3 CYS 48 HB1 CYS 48 -9.058 -2.948 2.988
329 H ILE 49 HN ILE 49 -7.301 -0.397 0.101
330 HA ILE 49 HA ILE 49 -9.836 -0.100 -1.176
331 HB ILE 49 HB ILE 49 -8.377 0.265 -3.258
332 HG12 ILE 49 HG12 ILE 49 -6.218 0.432 -1.151
333 HG13 ILE 49 HG11 ILE 49 -6.360 -0.876 -2.322
334 HG21 ILE 49 HG21 ILE 49 -9.419 2.076 -2.028
335 HG22 ILE 49 HG22 ILE 49 -7.790 2.540 -2.518
336 HG23 ILE 49 HG23 ILE 49 -8.106 2.063 -0.850
337 HD11 ILE 49 HD11 ILE 49 -5.974 0.673 -4.134
338 HD12 ILE 49 HD12 ILE 49 -4.680 0.807 -2.942
339 HD13 ILE 49 HD13 ILE 49 -5.951 2.026 -3.004
340 H PHE 50 HN PHE 50 -7.401 -2.611 -1.081
341 HA PHE 50 HA PHE 50 -8.373 -3.886 -3.472
342 HB2 PHE 50 HB2 PHE 50 -6.334 -4.763 -1.424
343 HB3 PHE 50 HB1 PHE 50 -6.775 -5.728 -2.833
344 HD1 PHE 50 HD1 PHE 50 -6.306 -4.857 -5.118
345 HD2 PHE 50 HD2 PHE 50 -4.915 -2.888 -1.612
346 HE1 PHE 50 HE1 PHE 50 -4.705 -3.578 -6.475
347 HE2 PHE 50 HE2 PHE 50 -3.319 -1.612 -2.959
348 HZ PHE 50 HZ PHE 50 -3.211 -1.948 -5.395
349 H CYS 51 HN CYS 51 -8.909 -4.224 -0.031
350 HA CYS 51 HA CYS 51 -10.044 -6.803 -0.102
351 HB2 CYS 51 HB2 CYS 51 -9.998 -4.560 1.830
352 HB3 CYS 51 HB1 CYS 51 -11.321 -5.706 2.007
353 H ARG 52 HN ARG 52 -11.592 -3.584 -0.235
354 HA ARG 52 HA ARG 52 -14.159 -4.840 -0.590
355 HB2 ARG 52 HB2 ARG 52 -14.999 -2.479 -0.666
356 HB3 ARG 52 HB1 ARG 52 -14.163 -2.934 0.810
357 HG2 ARG 52 HG2 ARG 52 -12.107 -1.848 -0.150
358 HG3 ARG 52 HG1 ARG 52 -13.143 -1.209 -1.430
359 HD2 ARG 52 HD2 ARG 52 -12.841 0.418 0.377
360 HD3 ARG 52 HD1 ARG 52 -14.524 -0.086 0.237
361 HE ARG 52 HE ARG 52 -12.845 -1.461 2.198
362 HH11 ARG 52 HH11 ARG 52 -15.339 0.918 1.561
363 HH12 ARG 52 HH12 ARG 52 -15.966 0.878 3.179
364 HH21 ARG 52 HH21 ARG 52 -13.653 -1.502 4.324
365 HH22 ARG 52 HH22 ARG 52 -14.995 -0.489 4.758
366 H MET 53 HN MET 53 -11.791 -4.521 -2.699
367 HA MET 53 HA MET 53 -13.666 -4.071 -4.926
368 HB2 MET 53 HB2 MET 53 -10.664 -3.764 -4.821
369 HB3 MET 53 HB1 MET 53 -11.585 -3.750 -6.318
370 HG2 MET 53 HG2 MET 53 -12.752 -1.772 -5.653
371 HG3 MET 53 HG1 MET 53 -12.032 -1.835 -4.046
372 HE1 MET 53 HE1 MET 53 -9.634 -0.941 -7.892
373 HE2 MET 53 HE2 MET 53 -11.367 -1.261 -7.872
374 HE3 MET 53 HE3 MET 53 -10.229 -2.549 -7.484
375 H LYS 54 HN LYS 54 -11.368 -6.180 -3.446
376 HA LYS 54 HA LYS 54 -12.132 -8.339 -5.288
377 HB2 LYS 54 HB2 LYS 54 -9.327 -7.812 -4.265
378 HB3 LYS 54 HB1 LYS 54 -9.813 -9.180 -5.253
379 HG2 LYS 54 HG2 LYS 54 -10.262 -7.729 -7.125
380 HG3 LYS 54 HG1 LYS 54 -9.939 -6.300 -6.143
381 HD2 LYS 54 HD2 LYS 54 -7.624 -7.109 -5.804
382 HD3 LYS 54 HD1 LYS 54 -7.968 -8.462 -6.881
383 HE2 LYS 54 HE2 LYS 54 -8.118 -5.546 -7.637
384 HE3 LYS 54 HE1 LYS 54 -6.778 -6.626 -8.009
385 HZ1 LYS 54 HZ1 LYS 54 -8.324 -8.001 -9.294
386 HZ2 LYS 54 HZ2 LYS 54 -8.226 -6.428 -9.899
387 HZ3 LYS 54 HZ3 LYS 54 -9.569 -6.899 -8.986
388 H GLU 55 HN GLU 55 -13.577 -8.425 -3.238
389 HA GLU 55 HA GLU 55 -12.262 -9.349 -0.843
390 HB2 GLU 55 HB2 GLU 55 -14.302 -7.883 -0.847
391 HB3 GLU 55 HB1 GLU 55 -15.223 -9.275 -1.395
392 HG2 GLU 55 HG2 GLU 55 -14.682 -10.476 0.628
393 HG3 GLU 55 HG1 GLU 55 -13.653 -9.149 1.168
394 H SER 56 HN SER 56 -11.297 -11.249 -1.363
395 HA SER 56 HA SER 56 -12.921 -13.599 -1.363
396 HB2 SER 56 HB2 SER 56 -12.909 -12.868 -3.796
397 HB3 SER 56 HB1 SER 56 -11.169 -13.148 -3.791
398 HG SER 56 HG SER 56 -11.480 -15.252 -3.737
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 18.250 -7.209 2.303
2 H2 GLY 1 HT2 GLY 1 17.229 -7.923 3.445
3 H3 GLY 1 HT3 GLY 1 16.945 -6.339 2.931
4 HA2 GLY 1 HA1 GLY 1 16.755 -8.755 1.228
5 HA3 GLY 1 HA2 GLY 1 15.388 -7.880 1.906
6 H ALA 2 HN ALA 2 15.901 -8.349 -0.876
7 HA ALA 2 HA ALA 2 16.112 -5.554 -1.764
8 HB1 ALA 2 HB1 ALA 2 17.224 -7.947 -3.230
9 HB2 ALA 2 HB2 ALA 2 18.172 -6.727 -2.380
10 HB3 ALA 2 HB3 ALA 2 17.236 -6.281 -3.808
11 H MET 3 HN MET 3 15.048 -8.808 -2.732
12 HA MET 3 HA MET 3 12.785 -7.586 -4.163
13 HB2 MET 3 HB2 MET 3 13.928 -10.381 -4.351
14 HB3 MET 3 HB1 MET 3 12.537 -9.800 -5.253
15 HG2 MET 3 HG2 MET 3 13.933 -8.180 -6.403
16 HG3 MET 3 HG1 MET 3 15.333 -8.704 -5.468
17 HE1 MET 3 HE1 MET 3 16.406 -11.101 -5.638
18 HE2 MET 3 HE2 MET 3 15.863 -12.358 -6.749
19 HE3 MET 3 HE3 MET 3 14.853 -11.897 -5.380
20 H GLY 4 HN GLY 4 13.577 -8.984 -1.284
21 HA2 GLY 4 HA2 GLY 4 10.830 -9.366 -0.531
22 HA3 GLY 4 HA1 GLY 4 11.744 -10.869 -0.615
23 H MET 5 HN MET 5 10.956 -10.616 1.770
24 HA MET 5 HA MET 5 11.484 -10.364 3.966
25 HB2 MET 5 HB2 MET 5 14.264 -9.998 2.836
26 HB3 MET 5 HB1 MET 5 13.915 -10.136 4.551
27 HG2 MET 5 HG2 MET 5 12.952 -12.370 4.142
28 HG3 MET 5 HG1 MET 5 13.401 -12.228 2.447
29 HE1 MET 5 HE1 MET 5 15.450 -11.035 5.631
30 HE2 MET 5 HE2 MET 5 16.425 -12.473 5.930
31 HE3 MET 5 HE3 MET 5 14.675 -12.538 6.132
32 H ARG 6 HN ARG 6 10.191 -8.499 4.043
33 HA ARG 6 HA ARG 6 9.664 -6.327 4.418
34 HB2 ARG 6 HB2 ARG 6 12.595 -6.069 5.118
35 HB3 ARG 6 HB1 ARG 6 11.354 -4.875 5.475
36 HG2 ARG 6 HG2 ARG 6 10.233 -6.460 6.945
37 HG3 ARG 6 HG1 ARG 6 11.445 -7.684 6.560
38 HD2 ARG 6 HD2 ARG 6 11.962 -5.036 7.910
39 HD3 ARG 6 HD1 ARG 6 11.927 -6.609 8.703
40 HE ARG 6 HE ARG 6 13.809 -6.984 6.841
41 HH11 ARG 6 HH11 ARG 6 13.326 -4.423 9.175
42 HH12 ARG 6 HH12 ARG 6 15.006 -4.005 9.263
43 HH21 ARG 6 HH21 ARG 6 16.026 -6.452 6.951
44 HH22 ARG 6 HH22 ARG 6 16.550 -5.173 8.000
45 H ASN 7 HN ASN 7 9.437 -6.485 2.016
46 HA ASN 7 HA ASN 7 11.521 -5.178 0.471
47 HB2 ASN 7 HB2 ASN 7 10.493 -7.163 -0.493
48 HB3 ASN 7 HB1 ASN 7 8.902 -6.425 -0.380
49 HD21 ASN 7 HD21 ASN 7 11.964 -6.366 -2.081
50 HD22 ASN 7 HD22 ASN 7 11.398 -5.469 -3.450
51 H LEU 8 HN LEU 8 11.369 -3.097 1.360
52 HA LEU 8 HA LEU 8 9.351 -1.532 -0.071
53 HB2 LEU 8 HB2 LEU 8 9.442 0.147 1.816
54 HB3 LEU 8 HB1 LEU 8 8.562 -1.331 2.140
55 HG LEU 8 HG LEU 8 11.421 -1.174 2.982
56 HD11 LEU 8 HD11 LEU 8 9.110 0.122 4.425
57 HD12 LEU 8 HD12 LEU 8 10.528 0.936 3.764
58 HD13 LEU 8 HD13 LEU 8 10.703 -0.173 5.122
59 HD21 LEU 8 HD21 LEU 8 8.955 -2.402 4.212
60 HD22 LEU 8 HD22 LEU 8 10.611 -2.590 4.786
61 HD23 LEU 8 HD23 LEU 8 10.139 -3.254 3.222
62 H ASP 9 HN ASP 9 12.119 -2.399 -0.503
63 HA ASP 9 HA ASP 9 13.787 -0.075 -0.144
64 HB2 ASP 9 HB2 ASP 9 14.285 -2.719 -1.518
65 HB3 ASP 9 HB1 ASP 9 15.499 -1.458 -1.325
66 H GLU 10 HN GLU 10 12.108 -1.679 -2.762
67 HA GLU 10 HA GLU 10 13.191 0.147 -4.740
68 HB2 GLU 10 HB2 GLU 10 11.839 -1.191 -6.333
69 HB3 GLU 10 HB1 GLU 10 12.950 -2.170 -5.385
70 HG2 GLU 10 HG2 GLU 10 11.013 -2.661 -3.851
71 HG3 GLU 10 HG1 GLU 10 9.978 -1.916 -5.065
72 H CYS 11 HN CYS 11 11.075 0.537 -2.451
73 HA CYS 11 HA CYS 11 8.985 1.820 -4.051
74 HB2 CYS 11 HB2 CYS 11 8.357 0.076 -2.383
75 HB3 CYS 11 HB1 CYS 11 9.010 1.097 -1.119
76 H GLU 12 HN GLU 12 9.964 3.765 -4.516
77 HA GLU 12 HA GLU 12 11.461 5.286 -2.666
78 HB2 GLU 12 HB2 GLU 12 10.085 6.071 -5.230
79 HB3 GLU 12 HB1 GLU 12 11.104 7.161 -4.301
80 HG2 GLU 12 HG2 GLU 12 11.972 4.571 -5.564
81 HG3 GLU 12 HG1 GLU 12 12.332 6.193 -6.148
82 H VAL 13 HN VAL 13 8.049 5.034 -3.305
83 HA VAL 13 HA VAL 13 7.372 7.464 -2.010
84 HB VAL 13 HB VAL 13 5.807 6.533 -3.575
85 HG11 VAL 13 HG11 VAL 13 5.473 4.200 -1.712
86 HG12 VAL 13 HG12 VAL 13 6.336 4.165 -3.249
87 HG13 VAL 13 HG13 VAL 13 4.605 4.483 -3.219
88 HG21 VAL 13 HG21 VAL 13 4.640 6.344 -0.810
89 HG22 VAL 13 HG22 VAL 13 3.760 6.663 -2.304
90 HG23 VAL 13 HG23 VAL 13 4.916 7.844 -1.692
91 H CYS 14 HN CYS 14 7.750 4.116 -0.891
92 HA CYS 14 HA CYS 14 6.976 4.544 1.786
93 HB2 CYS 14 HB2 CYS 14 8.604 2.548 0.357
94 HB3 CYS 14 HB1 CYS 14 9.038 2.770 2.044
95 H ARG 15 HN ARG 15 9.884 5.223 0.022
96 HA ARG 15 HA ARG 15 11.557 5.891 2.206
97 HB2 ARG 15 HB2 ARG 15 12.450 5.337 0.014
98 HB3 ARG 15 HB1 ARG 15 11.632 6.719 -0.697
99 HG2 ARG 15 HG2 ARG 15 13.040 8.209 0.675
100 HG3 ARG 15 HG1 ARG 15 13.908 6.790 1.271
101 HD2 ARG 15 HD2 ARG 15 14.522 6.221 -1.040
102 HD3 ARG 15 HD1 ARG 15 13.692 7.668 -1.607
103 HE ARG 15 HE ARG 15 15.581 8.422 0.317
104 HH11 ARG 15 HH11 ARG 15 15.413 7.184 -2.965
105 HH12 ARG 15 HH12 ARG 15 16.976 7.799 -3.407
106 HH21 ARG 15 HH21 ARG 15 17.628 9.245 -0.275
107 HH22 ARG 15 HH22 ARG 15 18.230 8.979 -1.876
108 H ASP 16 HN ASP 16 9.408 7.771 0.136
109 HA ASP 16 HA ASP 16 9.956 10.256 1.427
110 HB2 ASP 16 HB2 ASP 16 7.932 9.325 -0.562
111 HB3 ASP 16 HB1 ASP 16 7.656 10.849 0.276
112 H GLY 17 HN GLY 17 8.379 7.602 2.563
113 HA2 GLY 17 HA2 GLY 17 7.321 7.415 4.637
114 HA3 GLY 17 HA1 GLY 17 7.137 9.164 4.671
115 H GLY 18 HN GLY 18 6.134 7.290 1.915
116 HA2 GLY 18 HA2 GLY 18 3.478 8.217 1.979
117 HA3 GLY 18 HA1 GLY 18 4.068 6.875 1.015
118 H GLU 19 HN GLU 19 1.562 7.230 2.489
119 HA GLU 19 HA GLU 19 1.743 5.240 4.616
120 HB2 GLU 19 HB2 GLU 19 -0.412 7.145 3.729
121 HB3 GLU 19 HB1 GLU 19 -0.751 5.839 4.857
122 HG2 GLU 19 HG2 GLU 19 1.297 8.008 5.281
123 HG3 GLU 19 HG1 GLU 19 -0.325 7.997 5.970
124 H LEU 20 HN LEU 20 0.404 3.400 4.660
125 HA LEU 20 HA LEU 20 -0.142 2.322 1.993
126 HB2 LEU 20 HB2 LEU 20 0.389 1.094 4.672
127 HB3 LEU 20 HB1 LEU 20 -0.411 0.163 3.420
128 HG LEU 20 HG LEU 20 2.269 1.478 2.988
129 HD11 LEU 20 HD11 LEU 20 1.662 -1.307 3.977
130 HD12 LEU 20 HD12 LEU 20 2.506 -0.038 4.859
131 HD13 LEU 20 HD13 LEU 20 3.240 -0.750 3.423
132 HD21 LEU 20 HD21 LEU 20 0.788 -0.755 1.593
133 HD22 LEU 20 HD22 LEU 20 2.435 -0.245 1.221
134 HD23 LEU 20 HD23 LEU 20 1.088 0.865 0.960
135 H PHE 21 HN PHE 21 -2.145 1.734 1.342
136 HA PHE 21 HA PHE 21 -4.336 2.122 3.278
137 HB2 PHE 21 HB2 PHE 21 -4.285 2.609 0.286
138 HB3 PHE 21 HB1 PHE 21 -5.738 2.712 1.284
139 HD1 PHE 21 HD1 PHE 21 -5.905 4.477 3.042
140 HD2 PHE 21 HD2 PHE 21 -2.689 4.347 0.249
141 HE1 PHE 21 HE1 PHE 21 -5.388 6.830 3.527
142 HE2 PHE 21 HE2 PHE 21 -2.170 6.685 0.735
143 HZ PHE 21 HZ PHE 21 -3.454 7.885 2.550
144 H CYS 22 HN CYS 22 -3.012 -0.284 3.101
145 HA CYS 22 HA CYS 22 -5.150 -2.022 2.120
146 HB2 CYS 22 HB2 CYS 22 -2.228 -2.156 1.419
147 HB3 CYS 22 HB1 CYS 22 -3.241 -3.592 1.351
148 H CYS 23 HN CYS 23 -5.027 -4.228 3.052
149 HA CYS 23 HA CYS 23 -4.411 -4.305 5.820
150 HB2 CYS 23 HB2 CYS 23 -4.674 -6.731 4.026
151 HB3 CYS 23 HB1 CYS 23 -5.022 -6.623 5.749
152 H ASP 24 HN ASP 24 -2.743 -5.756 6.823
153 HA ASP 24 HA ASP 24 -0.179 -5.294 5.909
154 HB2 ASP 24 HB2 ASP 24 -1.150 -7.601 7.609
155 HB3 ASP 24 HB1 ASP 24 0.538 -7.142 7.416
156 H THR 25 HN THR 25 -2.123 -8.229 5.448
157 HA THR 25 HA THR 25 -0.316 -9.610 3.814
158 HB THR 25 HB THR 25 -3.334 -9.753 3.714
159 HG1 THR 25 HG1 THR 25 -3.027 -10.403 5.718
160 HG21 THR 25 HG21 THR 25 -1.226 -11.784 2.961
161 HG22 THR 25 HG22 THR 25 -2.238 -10.882 1.834
162 HG23 THR 25 HG23 THR 25 -2.970 -12.048 2.935
163 H CYS 26 HN CYS 26 -2.981 -7.414 2.935
164 HA CYS 26 HA CYS 26 -2.724 -7.754 0.144
165 HB2 CYS 26 HB2 CYS 26 -3.914 -5.472 1.735
166 HB3 CYS 26 HB1 CYS 26 -4.073 -5.648 -0.010
167 H SER 27 HN SER 27 -1.330 -5.424 2.395
168 HA SER 27 HA SER 27 -0.127 -3.749 0.463
169 HB2 SER 27 HB2 SER 27 0.652 -4.210 3.348
170 HB3 SER 27 HB1 SER 27 1.197 -2.870 2.341
171 HG SER 27 HG SER 27 -0.721 -2.599 3.820
172 H ARG 28 HN ARG 28 0.841 -6.806 1.796
173 HA ARG 28 HA ARG 28 3.592 -6.495 0.996
174 HB2 ARG 28 HB2 ARG 28 2.898 -7.874 2.948
175 HB3 ARG 28 HB1 ARG 28 2.111 -8.990 1.843
176 HG2 ARG 28 HG2 ARG 28 4.277 -9.472 0.799
177 HG3 ARG 28 HG1 ARG 28 5.058 -8.374 1.939
178 HD2 ARG 28 HD2 ARG 28 5.296 -10.667 2.693
179 HD3 ARG 28 HD1 ARG 28 4.258 -9.766 3.798
180 HE ARG 28 HE ARG 28 3.221 -11.607 1.736
181 HH11 ARG 28 HH11 ARG 28 3.119 -10.247 4.968
182 HH12 ARG 28 HH12 ARG 28 1.779 -11.228 5.471
183 HH21 ARG 28 HH21 ARG 28 1.454 -12.887 2.396
184 HH22 ARG 28 HH22 ARG 28 0.822 -12.713 4.005
185 H VAL 29 HN VAL 29 0.654 -7.607 -0.405
186 HA VAL 29 HA VAL 29 2.037 -9.036 -2.542
187 HB VAL 29 HB VAL 29 -0.931 -8.692 -2.086
188 HG11 VAL 29 HG11 VAL 29 0.554 -10.533 -3.961
189 HG12 VAL 29 HG12 VAL 29 -0.362 -9.103 -4.437
190 HG13 VAL 29 HG13 VAL 29 -1.193 -10.485 -3.721
191 HG21 VAL 29 HG21 VAL 29 0.895 -11.012 -1.480
192 HG22 VAL 29 HG22 VAL 29 -0.862 -11.040 -1.355
193 HG23 VAL 29 HG23 VAL 29 0.078 -9.984 -0.304
194 H PHE 30 HN PHE 30 -0.167 -6.283 -2.127
195 HA PHE 30 HA PHE 30 0.406 -5.499 -4.911
196 HB2 PHE 30 HB2 PHE 30 -1.924 -4.603 -3.197
197 HB3 PHE 30 HB1 PHE 30 -1.700 -4.309 -4.919
198 HD1 PHE 30 HD1 PHE 30 -1.552 -6.421 -6.417
199 HD2 PHE 30 HD2 PHE 30 -3.220 -6.396 -2.501
200 HE1 PHE 30 HE1 PHE 30 -2.803 -8.469 -6.945
201 HE2 PHE 30 HE2 PHE 30 -4.470 -8.449 -3.021
202 HZ PHE 30 HZ PHE 30 -4.305 -9.473 -5.199
203 H HIS 31 HN HIS 31 2.226 -4.975 -2.883
204 HA HIS 31 HA HIS 31 2.041 -2.723 -1.354
205 HB2 HIS 31 HB2 HIS 31 3.926 -4.388 -1.452
206 HB3 HIS 31 HB1 HIS 31 4.516 -3.546 -2.878
207 HD1 HIS 31 HD1 HIS 31 3.800 -2.774 0.793
208 HD2 HIS 31 HD2 HIS 31 6.264 -1.586 -2.331
209 HE1 HIS 31 HE1 HIS 31 5.475 -1.142 1.789
210 H GLU 32 HN GLU 32 3.024 -2.869 -4.750
211 HA GLU 32 HA GLU 32 3.881 -0.193 -4.960
212 HB2 GLU 32 HB2 GLU 32 2.836 -2.044 -7.112
213 HB3 GLU 32 HB1 GLU 32 3.737 -0.561 -7.395
214 HG2 GLU 32 HG2 GLU 32 4.838 -2.882 -5.840
215 HG3 GLU 32 HG1 GLU 32 5.045 -2.698 -7.579
216 H ASP 33 HN ASP 33 0.802 -1.756 -5.723
217 HA ASP 33 HA ASP 33 -0.371 0.687 -6.716
218 HB2 ASP 33 HB2 ASP 33 -0.941 -1.662 -7.515
219 HB3 ASP 33 HB1 ASP 33 -1.826 -1.861 -6.008
220 H CYS 34 HN CYS 34 -0.167 -0.980 -3.697
221 HA CYS 34 HA CYS 34 -2.445 0.216 -2.473
222 HB2 CYS 34 HB2 CYS 34 -0.058 -1.282 -1.413
223 HB3 CYS 34 HB1 CYS 34 -1.258 -0.577 -0.330
224 H HIS 35 HN HIS 35 0.449 1.544 -3.409
225 HA HIS 35 HA HIS 35 0.395 3.582 -1.300
226 HB2 HIS 35 HB2 HIS 35 2.428 2.863 -3.396
227 HB3 HIS 35 HB1 HIS 35 2.502 4.393 -2.524
228 HD1 HIS 35 HD1 HIS 35 2.998 4.230 0.082
229 HD2 HIS 35 HD2 HIS 35 3.257 0.664 -2.036
230 HE1 HIS 35 HE1 HIS 35 4.253 2.608 1.564
231 H ILE 36 HN ILE 36 -0.177 3.107 -4.717
232 HA ILE 36 HA ILE 36 -0.641 5.994 -5.050
233 HB ILE 36 HB ILE 36 0.680 4.138 -7.037
234 HG12 ILE 36 HG12 ILE 36 1.880 6.424 -5.460
235 HG13 ILE 36 HG11 ILE 36 2.090 4.721 -5.069
236 HG21 ILE 36 HG21 ILE 36 -0.634 5.868 -8.131
237 HG22 ILE 36 HG22 ILE 36 1.091 6.162 -8.351
238 HG23 ILE 36 HG23 ILE 36 0.180 7.110 -7.177
239 HD11 ILE 36 HD11 ILE 36 4.023 5.631 -6.243
240 HD12 ILE 36 HD12 ILE 36 2.994 6.056 -7.613
241 HD13 ILE 36 HD13 ILE 36 3.236 4.362 -7.180
242 HA PRO 37 HA PRO 37 -1.612 7.385 -6.064
243 HB2 PRO 37 HB2 PRO 37 -4.038 8.587 -6.059
244 HB3 PRO 37 HB1 PRO 37 -3.151 8.237 -7.552
245 HG2 PRO 37 HG2 PRO 37 -5.437 6.765 -6.314
246 HG3 PRO 37 HG1 PRO 37 -5.113 7.104 -8.023
247 HD2 PRO 37 HD2 PRO 37 -4.600 4.694 -6.811
248 HD3 PRO 37 HD1 PRO 37 -3.745 5.285 -8.248
249 HA PRO 38 HA PRO 38 -2.383 6.982 -1.698
250 HB2 PRO 38 HB2 PRO 38 -1.401 9.716 -1.376
251 HB3 PRO 38 HB1 PRO 38 -0.685 8.201 -0.822
252 HG2 PRO 38 HG2 PRO 38 0.397 9.670 -2.822
253 HG3 PRO 38 HG1 PRO 38 0.519 7.902 -2.758
254 HD2 PRO 38 HD2 PRO 38 -1.322 9.618 -4.395
255 HD3 PRO 38 HD1 PRO 38 -0.455 8.134 -4.852
256 H VAL 39 HN VAL 39 -4.193 7.292 -0.571
257 HA VAL 39 HA VAL 39 -6.065 9.361 -1.261
258 HB VAL 39 HB VAL 39 -6.153 7.440 1.068
259 HG11 VAL 39 HG11 VAL 39 -7.616 9.326 1.408
260 HG12 VAL 39 HG12 VAL 39 -8.579 7.898 1.026
261 HG13 VAL 39 HG13 VAL 39 -8.297 9.129 -0.206
262 HG21 VAL 39 HG21 VAL 39 -7.389 7.188 -1.671
263 HG22 VAL 39 HG22 VAL 39 -7.666 6.095 -0.317
264 HG23 VAL 39 HG23 VAL 39 -6.062 6.219 -1.033
265 H GLU 40 HN GLU 40 -5.141 11.324 -0.792
266 HA GLU 40 HA GLU 40 -3.874 11.734 1.779
267 HB2 GLU 40 HB2 GLU 40 -4.264 13.600 -0.562
268 HB3 GLU 40 HB1 GLU 40 -3.396 14.021 0.906
269 HG2 GLU 40 HG2 GLU 40 -1.760 12.276 0.464
270 HG3 GLU 40 HG1 GLU 40 -2.647 11.799 -0.983
271 H ALA 41 HN ALA 41 -6.966 12.083 0.468
272 HA ALA 41 HA ALA 41 -7.958 14.228 2.007
273 HB1 ALA 41 HB1 ALA 41 -9.412 11.776 1.014
274 HB2 ALA 41 HB2 ALA 41 -9.217 13.296 0.139
275 HB3 ALA 41 HB3 ALA 41 -10.174 13.246 1.619
276 H GLU 42 HN GLU 42 -8.359 10.744 2.568
277 HA GLU 42 HA GLU 42 -8.080 11.249 5.445
278 HB2 GLU 42 HB2 GLU 42 -9.932 9.248 4.131
279 HB3 GLU 42 HB1 GLU 42 -9.673 9.409 5.864
280 HG2 GLU 42 HG2 GLU 42 -10.530 11.733 5.722
281 HG3 GLU 42 HG1 GLU 42 -10.902 11.447 4.022
282 H ARG 43 HN ARG 43 -6.014 10.600 5.719
283 HA ARG 43 HA ARG 43 -4.913 8.420 4.193
284 HB2 ARG 43 HB2 ARG 43 -3.631 9.986 6.432
285 HB3 ARG 43 HB1 ARG 43 -2.807 8.969 5.259
286 HG2 ARG 43 HG2 ARG 43 -3.599 10.506 3.468
287 HG3 ARG 43 HG1 ARG 43 -4.233 11.565 4.729
288 HD2 ARG 43 HD2 ARG 43 -1.926 11.639 5.701
289 HD3 ARG 43 HD1 ARG 43 -1.363 10.778 4.269
290 HE ARG 43 HE ARG 43 -2.840 13.207 3.737
291 HH11 ARG 43 HH11 ARG 43 0.313 11.795 4.292
292 HH12 ARG 43 HH12 ARG 43 1.170 13.088 3.517
293 HH21 ARG 43 HH21 ARG 43 -1.707 14.914 2.721
294 HH22 ARG 43 HH22 ARG 43 0.023 14.855 2.622
295 H THR 44 HN THR 44 -6.735 7.110 5.308
296 HA THR 44 HA THR 44 -6.030 6.175 7.973
297 HB THR 44 HB THR 44 -8.174 4.910 7.815
298 HG1 THR 44 HG1 THR 44 -7.956 5.027 5.337
299 HG21 THR 44 HG21 THR 44 -8.137 7.159 8.778
300 HG22 THR 44 HG22 THR 44 -9.638 6.883 7.896
301 HG23 THR 44 HG23 THR 44 -8.359 7.859 7.176
302 HA PRO 45 HA PRO 45 -3.866 2.740 5.994
303 HB2 PRO 45 HB2 PRO 45 -3.342 1.845 8.732
304 HB3 PRO 45 HB1 PRO 45 -2.199 2.338 7.479
305 HG2 PRO 45 HG2 PRO 45 -2.681 3.837 9.679
306 HG3 PRO 45 HG1 PRO 45 -2.254 4.545 8.111
307 HD2 PRO 45 HD2 PRO 45 -4.938 4.320 9.424
308 HD3 PRO 45 HD1 PRO 45 -4.249 5.663 8.483
309 H TRP 46 HN TRP 46 -6.396 2.617 8.357
310 HA TRP 46 HA TRP 46 -6.741 -0.262 8.038
311 HB2 TRP 46 HB2 TRP 46 -8.580 0.047 9.743
312 HB3 TRP 46 HB1 TRP 46 -6.966 0.468 10.303
313 HD1 TRP 46 HD1 TRP 46 -10.326 2.071 9.374
314 HE1 TRP 46 HE1 TRP 46 -10.403 4.443 10.359
315 HE3 TRP 46 HE3 TRP 46 -5.507 2.409 11.063
316 HZ2 TRP 46 HZ2 TRP 46 -8.658 6.217 11.683
317 HZ3 TRP 46 HZ3 TRP 46 -4.797 4.484 12.182
318 HH2 TRP 46 HH2 TRP 46 -6.338 6.346 12.480
319 H ASN 47 HN ASN 47 -7.173 1.439 5.788
320 HA ASN 47 HA ASN 47 -9.899 0.563 5.183
321 HB2 ASN 47 HB2 ASN 47 -9.903 3.048 5.622
322 HB3 ASN 47 HB1 ASN 47 -8.793 3.233 4.266
323 HD21 ASN 47 HD21 ASN 47 -11.496 4.308 4.613
324 HD22 ASN 47 HD22 ASN 47 -12.417 3.721 3.271
325 H CYS 48 HN CYS 48 -9.358 -1.082 3.877
326 HA CYS 48 HA CYS 48 -7.001 -0.896 2.203
327 HB2 CYS 48 HB2 CYS 48 -7.449 -2.930 3.518
328 HB3 CYS 48 HB1 CYS 48 -8.958 -3.158 2.645
329 H ILE 49 HN ILE 49 -7.059 -0.268 0.180
330 HA ILE 49 HA ILE 49 -9.548 0.185 -1.160
331 HB ILE 49 HB ILE 49 -8.058 0.829 -3.113
332 HG12 ILE 49 HG12 ILE 49 -5.889 0.550 -1.024
333 HG13 ILE 49 HG11 ILE 49 -6.087 -0.508 -2.418
334 HG21 ILE 49 HG21 ILE 49 -7.357 2.943 -2.047
335 HG22 ILE 49 HG22 ILE 49 -7.723 2.242 -0.471
336 HG23 ILE 49 HG23 ILE 49 -9.013 2.488 -1.645
337 HD11 ILE 49 HD11 ILE 49 -4.345 1.124 -2.809
338 HD12 ILE 49 HD12 ILE 49 -5.474 2.438 -2.483
339 HD13 ILE 49 HD13 ILE 49 -5.702 1.407 -3.898
340 H PHE 50 HN PHE 50 -7.206 -2.374 -1.133
341 HA PHE 50 HA PHE 50 -8.058 -3.442 -3.670
342 HB2 PHE 50 HB2 PHE 50 -5.960 -4.123 -1.727
343 HB3 PHE 50 HB1 PHE 50 -6.684 -5.506 -2.556
344 HD1 PHE 50 HD2 PHE 50 -4.768 -2.422 -2.963
345 HD2 PHE 50 HD1 PHE 50 -6.421 -5.814 -4.928
346 HE1 PHE 50 HE2 PHE 50 -3.370 -1.957 -4.931
347 HE2 PHE 50 HE1 PHE 50 -5.021 -5.366 -6.886
348 HZ PHE 50 HZ PHE 50 -3.629 -3.370 -6.977
349 H CYS 51 HN CYS 51 -8.777 -4.045 -0.289
350 HA CYS 51 HA CYS 51 -10.312 -6.390 -0.857
351 HB2 CYS 51 HB2 CYS 51 -10.023 -4.636 1.567
352 HB3 CYS 51 HB1 CYS 51 -11.316 -5.828 1.494
353 H ARG 52 HN ARG 52 -11.214 -2.995 -0.143
354 HA ARG 52 HA ARG 52 -13.938 -3.363 -0.775
355 HB2 ARG 52 HB2 ARG 52 -12.265 -0.846 -0.786
356 HB3 ARG 52 HB1 ARG 52 -14.016 -0.880 -0.935
357 HG2 ARG 52 HG2 ARG 52 -14.146 -1.951 1.291
358 HG3 ARG 52 HG1 ARG 52 -12.394 -1.788 1.435
359 HD2 ARG 52 HD2 ARG 52 -12.589 0.630 1.266
360 HD3 ARG 52 HD1 ARG 52 -14.335 0.490 1.056
361 HE ARG 52 HE ARG 52 -13.334 -0.711 3.476
362 HH11 ARG 52 HH11 ARG 52 -14.533 2.225 1.987
363 HH12 ARG 52 HH12 ARG 52 -15.039 2.931 3.488
364 HH21 ARG 52 HH21 ARG 52 -13.987 0.228 5.463
365 HH22 ARG 52 HH22 ARG 52 -14.708 1.806 5.464
366 H MET 53 HN MET 53 -11.257 -3.373 -2.783
367 HA MET 53 HA MET 53 -12.336 -2.182 -5.116
368 HB2 MET 53 HB2 MET 53 -9.955 -2.579 -4.975
369 HB3 MET 53 HB1 MET 53 -10.211 -4.307 -4.774
370 HG2 MET 53 HG2 MET 53 -9.446 -3.773 -7.014
371 HG3 MET 53 HG1 MET 53 -11.071 -4.457 -7.039
372 HE1 MET 53 HE1 MET 53 -11.388 -3.656 -9.501
373 HE2 MET 53 HE2 MET 53 -9.791 -2.912 -9.537
374 HE3 MET 53 HE3 MET 53 -11.204 -1.989 -10.044
375 H LYS 54 HN LYS 54 -12.713 -5.267 -3.598
376 HA LYS 54 HA LYS 54 -14.277 -6.247 -5.869
377 HB2 LYS 54 HB2 LYS 54 -12.513 -7.735 -4.899
378 HB3 LYS 54 HB1 LYS 54 -13.407 -7.739 -3.384
379 HG2 LYS 54 HG2 LYS 54 -13.822 -9.758 -4.693
380 HG3 LYS 54 HG1 LYS 54 -15.296 -8.811 -4.477
381 HD2 LYS 54 HD2 LYS 54 -14.974 -7.849 -6.725
382 HD3 LYS 54 HD1 LYS 54 -13.547 -8.863 -6.936
383 HE2 LYS 54 HE2 LYS 54 -14.926 -10.859 -6.719
384 HE3 LYS 54 HE1 LYS 54 -16.353 -9.856 -6.456
385 HZ1 LYS 54 HZ1 LYS 54 -16.132 -8.970 -8.665
386 HZ2 LYS 54 HZ2 LYS 54 -16.165 -10.658 -8.746
387 HZ3 LYS 54 HZ3 LYS 54 -14.701 -9.834 -8.920
388 H GLU 55 HN GLU 55 -15.766 -4.449 -5.161
389 HA GLU 55 HA GLU 55 -17.403 -5.088 -2.852
390 HB2 GLU 55 HB2 GLU 55 -18.655 -3.006 -3.539
391 HB3 GLU 55 HB1 GLU 55 -16.972 -2.766 -3.095
392 HG2 GLU 55 HG2 GLU 55 -16.331 -2.576 -5.393
393 HG3 GLU 55 HG1 GLU 55 -17.955 -3.004 -5.928
394 H SER 56 HN SER 56 -18.620 -6.836 -3.241
395 HA SER 56 HA SER 56 -20.266 -6.819 -5.678
396 HB2 SER 56 HB2 SER 56 -19.521 -9.228 -4.011
397 HB3 SER 56 HB1 SER 56 -20.295 -9.220 -5.595
398 HG SER 56 HG SER 56 -18.256 -8.033 -6.235
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 13.589 -9.829 -6.533
2 H2 GLY 1 HT2 GLY 1 12.457 -9.471 -5.331
3 H3 GLY 1 HT3 GLY 1 12.486 -8.569 -6.759
4 HA2 GLY 1 HA1 GLY 1 11.846 -10.521 -8.037
5 HA3 GLY 1 HA2 GLY 1 11.795 -11.446 -6.545
6 H ALA 2 HN ALA 2 9.813 -11.728 -5.771
7 HA ALA 2 HA ALA 2 7.957 -9.491 -5.707
8 HB1 ALA 2 HB1 ALA 2 7.518 -10.568 -7.885
9 HB2 ALA 2 HB2 ALA 2 6.143 -10.678 -6.787
10 HB3 ALA 2 HB3 ALA 2 7.178 -12.082 -7.045
11 H MET 3 HN MET 3 9.473 -11.296 -3.844
12 HA MET 3 HA MET 3 7.302 -11.687 -1.994
13 HB2 MET 3 HB2 MET 3 7.414 -13.815 -3.403
14 HB3 MET 3 HB1 MET 3 8.980 -14.105 -2.658
15 HG2 MET 3 HG2 MET 3 7.892 -14.076 -0.438
16 HG3 MET 3 HG1 MET 3 6.333 -13.892 -1.235
17 HE1 MET 3 HE1 MET 3 9.376 -16.201 -0.528
18 HE2 MET 3 HE2 MET 3 9.450 -16.118 -2.288
19 HE3 MET 3 HE3 MET 3 9.017 -17.632 -1.494
20 H GLY 4 HN GLY 4 9.351 -9.919 -1.875
21 HA2 GLY 4 HA2 GLY 4 11.429 -11.103 -0.184
22 HA3 GLY 4 HA1 GLY 4 11.457 -9.486 -0.873
23 H MET 5 HN MET 5 11.619 -10.742 1.960
24 HA MET 5 HA MET 5 9.448 -9.633 3.414
25 HB2 MET 5 HB2 MET 5 12.247 -10.370 4.303
26 HB3 MET 5 HB1 MET 5 10.962 -9.879 5.397
27 HG2 MET 5 HG2 MET 5 9.633 -11.808 4.712
28 HG3 MET 5 HG1 MET 5 10.908 -12.295 3.598
29 HE1 MET 5 HE1 MET 5 11.426 -12.226 8.189
30 HE2 MET 5 HE2 MET 5 9.954 -11.719 7.363
31 HE3 MET 5 HE3 MET 5 11.428 -10.764 7.204
32 H ARG 6 HN ARG 6 9.025 -7.586 3.843
33 HA ARG 6 HA ARG 6 9.169 -5.333 3.877
34 HB2 ARG 6 HB2 ARG 6 11.872 -6.060 4.992
35 HB3 ARG 6 HB1 ARG 6 11.308 -4.398 4.892
36 HG2 ARG 6 HG2 ARG 6 9.869 -6.594 6.361
37 HG3 ARG 6 HG1 ARG 6 10.983 -5.452 7.112
38 HD2 ARG 6 HD2 ARG 6 9.566 -3.602 6.552
39 HD3 ARG 6 HD1 ARG 6 8.522 -4.631 5.575
40 HE ARG 6 HE ARG 6 8.142 -5.809 7.848
41 HH11 ARG 6 HH11 ARG 6 8.611 -2.368 7.397
42 HH12 ARG 6 HH12 ARG 6 7.604 -1.929 8.735
43 HH21 ARG 6 HH21 ARG 6 6.820 -5.235 9.613
44 HH22 ARG 6 HH22 ARG 6 6.575 -3.560 9.998
45 H ASN 7 HN ASN 7 9.501 -6.341 1.392
46 HA ASN 7 HA ASN 7 11.791 -5.110 0.142
47 HB2 ASN 7 HB2 ASN 7 10.872 -7.187 -0.809
48 HB3 ASN 7 HB1 ASN 7 9.347 -6.366 -1.127
49 HD21 ASN 7 HD21 ASN 7 12.751 -6.491 -1.993
50 HD22 ASN 7 HD22 ASN 7 12.575 -5.741 -3.541
51 H LEU 8 HN LEU 8 11.361 -3.050 1.050
52 HA LEU 8 HA LEU 8 9.559 -1.502 -0.667
53 HB2 LEU 8 HB2 LEU 8 9.492 0.109 1.370
54 HB3 LEU 8 HB1 LEU 8 8.451 -1.300 1.344
55 HG LEU 8 HG LEU 8 10.311 -2.450 2.712
56 HD11 LEU 8 HD11 LEU 8 11.033 0.431 3.202
57 HD12 LEU 8 HD12 LEU 8 12.034 -0.764 2.379
58 HD13 LEU 8 HD13 LEU 8 11.652 -0.961 4.089
59 HD21 LEU 8 HD21 LEU 8 9.376 -1.581 4.797
60 HD22 LEU 8 HD22 LEU 8 8.118 -1.879 3.596
61 HD23 LEU 8 HD23 LEU 8 8.662 -0.232 3.914
62 H ASP 9 HN ASP 9 12.456 -2.281 -0.588
63 HA ASP 9 HA ASP 9 13.955 0.140 -0.282
64 HB2 ASP 9 HB2 ASP 9 14.614 -2.448 -1.708
65 HB3 ASP 9 HB1 ASP 9 15.751 -1.124 -1.494
66 H GLU 10 HN GLU 10 12.302 -1.520 -2.840
67 HA GLU 10 HA GLU 10 13.138 0.401 -4.855
68 HB2 GLU 10 HB2 GLU 10 11.916 -0.987 -6.427
69 HB3 GLU 10 HB1 GLU 10 12.969 -1.991 -5.443
70 HG2 GLU 10 HG2 GLU 10 11.128 -2.771 -4.140
71 HG3 GLU 10 HG1 GLU 10 10.035 -1.616 -4.901
72 H CYS 11 HN CYS 11 11.138 0.646 -2.429
73 HA CYS 11 HA CYS 11 8.893 1.788 -3.929
74 HB2 CYS 11 HB2 CYS 11 8.406 0.071 -2.174
75 HB3 CYS 11 HB1 CYS 11 9.076 1.165 -0.977
76 H GLU 12 HN GLU 12 9.765 3.715 -4.498
77 HA GLU 12 HA GLU 12 11.366 5.364 -2.909
78 HB2 GLU 12 HB2 GLU 12 9.485 6.248 -5.093
79 HB3 GLU 12 HB1 GLU 12 10.942 7.070 -4.554
80 HG2 GLU 12 HG2 GLU 12 12.290 5.186 -5.375
81 HG3 GLU 12 HG1 GLU 12 10.818 4.410 -5.958
82 H VAL 13 HN VAL 13 7.926 5.004 -3.175
83 HA VAL 13 HA VAL 13 7.304 7.436 -1.865
84 HB VAL 13 HB VAL 13 5.685 6.542 -3.363
85 HG11 VAL 13 HG11 VAL 13 4.501 4.461 -2.984
86 HG12 VAL 13 HG12 VAL 13 5.511 4.132 -1.579
87 HG13 VAL 13 HG13 VAL 13 6.228 4.186 -3.189
88 HG21 VAL 13 HG21 VAL 13 4.594 6.223 -0.581
89 HG22 VAL 13 HG22 VAL 13 3.692 6.645 -2.037
90 HG23 VAL 13 HG23 VAL 13 4.875 7.772 -1.374
91 H CYS 14 HN CYS 14 7.744 4.093 -0.731
92 HA CYS 14 HA CYS 14 6.991 4.570 1.955
93 HB2 CYS 14 HB2 CYS 14 8.563 2.513 0.551
94 HB3 CYS 14 HB1 CYS 14 8.996 2.751 2.237
95 H ARG 15 HN ARG 15 9.932 5.066 0.179
96 HA ARG 15 HA ARG 15 11.583 5.708 2.387
97 HB2 ARG 15 HB2 ARG 15 11.812 6.358 -0.551
98 HB3 ARG 15 HB1 ARG 15 13.075 6.695 0.628
99 HG2 ARG 15 HG2 ARG 15 13.502 4.437 1.005
100 HG3 ARG 15 HG1 ARG 15 11.961 3.938 0.313
101 HD2 ARG 15 HD2 ARG 15 13.872 3.415 -1.145
102 HD3 ARG 15 HD1 ARG 15 12.722 4.511 -1.899
103 HE ARG 15 HE ARG 15 14.513 6.227 -0.894
104 HH11 ARG 15 HH11 ARG 15 14.927 3.274 -2.732
105 HH12 ARG 15 HH12 ARG 15 16.370 3.820 -3.523
106 HH21 ARG 15 HH21 ARG 15 16.413 6.954 -1.952
107 HH22 ARG 15 HH22 ARG 15 17.213 5.915 -3.088
108 H ASP 16 HN ASP 16 9.571 7.592 0.226
109 HA ASP 16 HA ASP 16 10.191 10.103 1.424
110 HB2 ASP 16 HB2 ASP 16 9.346 10.063 -0.832
111 HB3 ASP 16 HB1 ASP 16 7.884 9.224 -0.325
112 H GLY 17 HN GLY 17 8.268 7.500 2.435
113 HA2 GLY 17 HA2 GLY 17 7.326 7.353 4.593
114 HA3 GLY 17 HA1 GLY 17 7.278 9.109 4.667
115 H GLY 18 HN GLY 18 6.106 7.564 1.828
116 HA2 GLY 18 HA2 GLY 18 3.532 8.669 1.989
117 HA3 GLY 18 HA1 GLY 18 4.010 7.370 0.913
118 H GLU 19 HN GLU 19 1.490 7.454 1.929
119 HA GLU 19 HA GLU 19 1.420 5.717 4.280
120 HB2 GLU 19 HB2 GLU 19 -0.665 7.418 2.926
121 HB3 GLU 19 HB1 GLU 19 -1.038 6.324 4.250
122 HG2 GLU 19 HG2 GLU 19 0.332 7.575 5.758
123 HG3 GLU 19 HG1 GLU 19 0.983 8.549 4.441
124 H LEU 20 HN LEU 20 0.213 3.835 4.331
125 HA LEU 20 HA LEU 20 -0.256 2.565 1.735
126 HB2 LEU 20 HB2 LEU 20 0.232 1.552 4.507
127 HB3 LEU 20 HB1 LEU 20 -0.599 0.530 3.352
128 HG LEU 20 HG LEU 20 2.114 1.725 2.797
129 HD11 LEU 20 HD11 LEU 20 1.452 -0.978 3.962
130 HD12 LEU 20 HD12 LEU 20 2.253 0.345 4.808
131 HD13 LEU 20 HD13 LEU 20 3.048 -0.439 3.445
132 HD21 LEU 20 HD21 LEU 20 0.591 -0.596 1.606
133 HD22 LEU 20 HD22 LEU 20 2.229 -0.118 1.169
134 HD23 LEU 20 HD23 LEU 20 0.878 0.965 0.837
135 H PHE 21 HN PHE 21 -2.270 1.964 1.075
136 HA PHE 21 HA PHE 21 -4.474 2.446 2.977
137 HB2 PHE 21 HB2 PHE 21 -4.532 2.621 -0.053
138 HB3 PHE 21 HB1 PHE 21 -5.898 2.927 1.021
139 HD1 PHE 21 HD1 PHE 21 -5.713 4.831 2.685
140 HD2 PHE 21 HD2 PHE 21 -2.998 4.335 -0.564
141 HE1 PHE 21 HE1 PHE 21 -5.010 7.169 2.914
142 HE2 PHE 21 HE2 PHE 21 -2.299 6.675 -0.332
143 HZ PHE 21 HZ PHE 21 -3.305 8.096 1.407
144 H CYS 22 HN CYS 22 -2.979 0.063 2.816
145 HA CYS 22 HA CYS 22 -5.092 -1.816 2.067
146 HB2 CYS 22 HB2 CYS 22 -2.179 -1.952 1.307
147 HB3 CYS 22 HB1 CYS 22 -3.192 -3.393 1.363
148 H CYS 23 HN CYS 23 -4.901 -3.875 3.151
149 HA CYS 23 HA CYS 23 -3.953 -3.600 5.861
150 HB2 CYS 23 HB2 CYS 23 -5.082 -5.674 6.286
151 HB3 CYS 23 HB1 CYS 23 -6.123 -4.748 5.207
152 H ASP 24 HN ASP 24 -2.672 -5.559 6.775
153 HA ASP 24 HA ASP 24 -0.124 -5.501 5.694
154 HB2 ASP 24 HB2 ASP 24 -1.439 -7.460 7.562
155 HB3 ASP 24 HB1 ASP 24 0.235 -7.660 7.064
156 H THR 25 HN THR 25 -2.666 -7.903 5.180
157 HA THR 25 HA THR 25 -1.130 -9.778 3.778
158 HB THR 25 HB THR 25 -4.081 -9.265 3.416
159 HG1 THR 25 HG1 THR 25 -2.652 -10.621 5.473
160 HG21 THR 25 HG21 THR 25 -2.431 -11.784 3.184
161 HG22 THR 25 HG22 THR 25 -3.109 -10.868 1.839
162 HG23 THR 25 HG23 THR 25 -4.180 -11.676 2.983
163 H CYS 26 HN CYS 26 -3.291 -7.213 2.508
164 HA CYS 26 HA CYS 26 -2.695 -7.885 -0.204
165 HB2 CYS 26 HB2 CYS 26 -3.969 -5.377 0.893
166 HB3 CYS 26 HB1 CYS 26 -3.943 -5.848 -0.797
167 H SER 27 HN SER 27 -1.401 -5.561 2.100
168 HA SER 27 HA SER 27 0.016 -3.940 0.285
169 HB2 SER 27 HB2 SER 27 -0.359 -3.283 2.622
170 HB3 SER 27 HB1 SER 27 0.648 -4.617 3.172
171 HG SER 27 HG SER 27 1.964 -2.873 3.156
172 H ARG 28 HN ARG 28 0.704 -7.034 1.742
173 HA ARG 28 HA ARG 28 3.444 -7.148 1.038
174 HB2 ARG 28 HB2 ARG 28 2.125 -8.550 2.760
175 HB3 ARG 28 HB1 ARG 28 1.666 -9.546 1.389
176 HG2 ARG 28 HG2 ARG 28 3.527 -10.578 2.424
177 HG3 ARG 28 HG1 ARG 28 4.101 -9.860 0.915
178 HD2 ARG 28 HD2 ARG 28 5.652 -9.440 2.772
179 HD3 ARG 28 HD1 ARG 28 4.970 -7.945 2.133
180 HE ARG 28 HE ARG 28 3.591 -9.090 4.413
181 HH11 ARG 28 HH11 ARG 28 6.016 -6.815 3.311
182 HH12 ARG 28 HH12 ARG 28 5.895 -5.817 4.726
183 HH21 ARG 28 HH21 ARG 28 3.441 -7.799 6.265
184 HH22 ARG 28 HH22 ARG 28 4.437 -6.386 6.418
185 H VAL 29 HN VAL 29 0.501 -7.739 -0.696
186 HA VAL 29 HA VAL 29 1.906 -9.237 -2.773
187 HB VAL 29 HB VAL 29 -1.053 -8.696 -2.530
188 HG11 VAL 29 HG11 VAL 29 -1.294 -10.514 -4.152
189 HG12 VAL 29 HG12 VAL 29 0.461 -10.644 -4.265
190 HG13 VAL 29 HG13 VAL 29 -0.351 -9.178 -4.816
191 HG21 VAL 29 HG21 VAL 29 -1.193 -11.065 -1.807
192 HG22 VAL 29 HG22 VAL 29 -0.357 -10.024 -0.656
193 HG23 VAL 29 HG23 VAL 29 0.568 -11.098 -1.706
194 H PHE 30 HN PHE 30 0.034 -6.262 -2.337
195 HA PHE 30 HA PHE 30 0.865 -5.436 -5.048
196 HB2 PHE 30 HB2 PHE 30 -1.683 -4.635 -3.612
197 HB3 PHE 30 HB1 PHE 30 -1.203 -4.135 -5.229
198 HD1 PHE 30 HD1 PHE 30 -0.866 -6.059 -6.961
199 HD2 PHE 30 HD2 PHE 30 -3.058 -6.449 -3.332
200 HE1 PHE 30 HE1 PHE 30 -2.066 -7.986 -7.893
201 HE2 PHE 30 HE2 PHE 30 -4.255 -8.382 -4.257
202 HZ PHE 30 HZ PHE 30 -3.759 -9.155 -6.541
203 H HIS 31 HN HIS 31 2.629 -4.895 -3.196
204 HA HIS 31 HA HIS 31 2.194 -2.879 -1.356
205 HB2 HIS 31 HB2 HIS 31 4.163 -4.398 -1.448
206 HB3 HIS 31 HB1 HIS 31 4.783 -3.454 -2.800
207 HD1 HIS 31 HD1 HIS 31 3.608 -2.622 0.756
208 HD2 HIS 31 HD2 HIS 31 6.604 -1.703 -1.971
209 HE1 HIS 31 HE1 HIS 31 5.173 -1.009 1.931
210 H GLU 32 HN GLU 32 3.404 -2.548 -4.686
211 HA GLU 32 HA GLU 32 3.919 0.239 -4.468
212 HB2 GLU 32 HB2 GLU 32 3.775 -1.717 -6.719
213 HB3 GLU 32 HB1 GLU 32 3.789 0.002 -7.081
214 HG2 GLU 32 HG2 GLU 32 5.865 -1.252 -5.325
215 HG3 GLU 32 HG1 GLU 32 6.020 -1.228 -7.081
216 H ASP 33 HN ASP 33 1.186 -1.650 -5.575
217 HA ASP 33 HA ASP 33 -0.264 0.580 -6.637
218 HB2 ASP 33 HB2 ASP 33 -1.065 -2.247 -5.952
219 HB3 ASP 33 HB1 ASP 33 -2.216 -1.069 -6.569
220 H CYS 34 HN CYS 34 0.143 -0.835 -3.539
221 HA CYS 34 HA CYS 34 -2.299 0.244 -2.448
222 HB2 CYS 34 HB2 CYS 34 0.009 -1.326 -1.324
223 HB3 CYS 34 HB1 CYS 34 -1.218 -0.621 -0.267
224 H HIS 35 HN HIS 35 0.571 1.642 -3.245
225 HA HIS 35 HA HIS 35 0.348 3.663 -1.122
226 HB2 HIS 35 HB2 HIS 35 2.509 3.122 -3.162
227 HB3 HIS 35 HB1 HIS 35 2.479 4.568 -2.157
228 HD1 HIS 35 HD1 HIS 35 3.021 4.240 0.395
229 HD2 HIS 35 HD2 HIS 35 3.241 0.790 -1.901
230 HE1 HIS 35 HE1 HIS 35 4.252 2.531 1.796
231 H ILE 36 HN ILE 36 0.474 3.267 -4.628
232 HA ILE 36 HA ILE 36 -0.802 5.897 -4.957
233 HB ILE 36 HB ILE 36 1.239 4.635 -6.801
234 HG12 ILE 36 HG12 ILE 36 1.565 6.984 -4.922
235 HG13 ILE 36 HG11 ILE 36 2.218 5.370 -4.649
236 HG21 ILE 36 HG21 ILE 36 0.022 7.394 -6.853
237 HG22 ILE 36 HG22 ILE 36 -0.376 6.075 -7.951
238 HG23 ILE 36 HG23 ILE 36 1.243 6.773 -7.962
239 HD11 ILE 36 HD11 ILE 36 3.626 5.596 -6.619
240 HD12 ILE 36 HD12 ILE 36 3.914 6.914 -5.483
241 HD13 ILE 36 HD13 ILE 36 2.949 7.193 -6.932
242 HA PRO 37 HA PRO 37 -1.870 6.975 -6.225
243 HB2 PRO 37 HB2 PRO 37 -4.350 7.631 -6.960
244 HB3 PRO 37 HB1 PRO 37 -3.106 7.256 -8.168
245 HG2 PRO 37 HG2 PRO 37 -5.351 5.555 -7.162
246 HG3 PRO 37 HG1 PRO 37 -4.713 5.712 -8.809
247 HD2 PRO 37 HD2 PRO 37 -4.085 3.666 -7.022
248 HD3 PRO 37 HD1 PRO 37 -3.136 4.105 -8.456
249 HA PRO 38 HA PRO 38 -3.656 6.801 -2.105
250 HB2 PRO 38 HB2 PRO 38 -3.484 9.750 -2.279
251 HB3 PRO 38 HB1 PRO 38 -2.784 8.653 -1.084
252 HG2 PRO 38 HG2 PRO 38 -1.244 9.854 -2.913
253 HG3 PRO 38 HG1 PRO 38 -0.932 8.183 -2.396
254 HD2 PRO 38 HD2 PRO 38 -2.257 9.177 -4.904
255 HD3 PRO 38 HD1 PRO 38 -1.101 7.842 -4.691
256 H VAL 39 HN VAL 39 -5.753 6.811 -1.476
257 HA VAL 39 HA VAL 39 -7.770 7.698 -3.274
258 HB VAL 39 HB VAL 39 -8.131 6.848 -0.404
259 HG11 VAL 39 HG11 VAL 39 -10.061 6.848 -2.718
260 HG12 VAL 39 HG12 VAL 39 -10.059 7.996 -1.382
261 HG13 VAL 39 HG13 VAL 39 -10.403 6.294 -1.080
262 HG21 VAL 39 HG21 VAL 39 -8.113 5.183 -2.914
263 HG22 VAL 39 HG22 VAL 39 -8.639 4.616 -1.331
264 HG23 VAL 39 HG23 VAL 39 -6.963 5.095 -1.581
265 H GLU 40 HN GLU 40 -8.197 9.781 -3.549
266 HA GLU 40 HA GLU 40 -7.720 11.709 -1.466
267 HB2 GLU 40 HB2 GLU 40 -8.717 11.952 -4.298
268 HB3 GLU 40 HB1 GLU 40 -8.608 13.330 -3.212
269 HG2 GLU 40 HG2 GLU 40 -6.291 11.565 -3.966
270 HG3 GLU 40 HG1 GLU 40 -6.672 13.110 -4.725
271 H ALA 41 HN ALA 41 -9.311 10.545 -0.090
272 HA ALA 41 HA ALA 41 -11.675 12.078 0.173
273 HB1 ALA 41 HB1 ALA 41 -13.334 10.310 -0.160
274 HB2 ALA 41 HB2 ALA 41 -12.061 9.215 -0.698
275 HB3 ALA 41 HB3 ALA 41 -12.454 10.643 -1.652
276 H GLU 42 HN GLU 42 -11.120 8.658 0.829
277 HA GLU 42 HA GLU 42 -11.076 9.266 3.700
278 HB2 GLU 42 HB2 GLU 42 -11.846 6.716 2.270
279 HB3 GLU 42 HB1 GLU 42 -11.795 6.919 4.015
280 HG2 GLU 42 HG2 GLU 42 -13.541 8.534 2.181
281 HG3 GLU 42 HG1 GLU 42 -14.065 7.075 3.022
282 H ARG 43 HN ARG 43 -8.839 9.670 3.775
283 HA ARG 43 HA ARG 43 -7.023 7.555 2.971
284 HB2 ARG 43 HB2 ARG 43 -6.490 10.189 4.356
285 HB3 ARG 43 HB1 ARG 43 -5.246 9.064 3.832
286 HG2 ARG 43 HG2 ARG 43 -6.262 9.337 1.495
287 HG3 ARG 43 HG1 ARG 43 -7.079 10.750 2.166
288 HD2 ARG 43 HD2 ARG 43 -4.101 10.270 2.091
289 HD3 ARG 43 HD1 ARG 43 -4.998 11.391 1.072
290 HE ARG 43 HE ARG 43 -5.582 12.177 3.618
291 HH11 ARG 43 HH11 ARG 43 -2.625 11.687 1.813
292 HH12 ARG 43 HH12 ARG 43 -1.738 12.896 2.688
293 HH21 ARG 43 HH21 ARG 43 -4.416 13.767 4.777
294 HH22 ARG 43 HH22 ARG 43 -2.757 14.073 4.378
295 H THR 44 HN THR 44 -8.504 6.287 4.540
296 HA THR 44 HA THR 44 -7.666 6.540 7.320
297 HB THR 44 HB THR 44 -9.491 4.792 7.668
298 HG1 THR 44 HG1 THR 44 -10.772 4.290 5.982
299 HG21 THR 44 HG21 THR 44 -9.855 7.150 8.166
300 HG22 THR 44 HG22 THR 44 -11.302 6.458 7.430
301 HG23 THR 44 HG23 THR 44 -10.223 7.470 6.471
302 HA PRO 45 HA PRO 45 -4.602 3.421 6.462
303 HB2 PRO 45 HB2 PRO 45 -4.331 3.251 9.388
304 HB3 PRO 45 HB1 PRO 45 -3.130 3.693 8.171
305 HG2 PRO 45 HG2 PRO 45 -4.212 5.510 9.839
306 HG3 PRO 45 HG1 PRO 45 -3.741 5.910 8.177
307 HD2 PRO 45 HD2 PRO 45 -6.460 5.408 9.312
308 HD3 PRO 45 HD1 PRO 45 -5.947 6.569 8.066
309 H TRP 46 HN TRP 46 -7.293 2.956 8.636
310 HA TRP 46 HA TRP 46 -6.707 0.110 8.903
311 HB2 TRP 46 HB2 TRP 46 -8.685 0.132 10.469
312 HB3 TRP 46 HB1 TRP 46 -7.341 1.157 10.960
313 HD1 TRP 46 HD1 TRP 46 -10.926 1.373 9.602
314 HE1 TRP 46 HE1 TRP 46 -11.825 3.740 10.042
315 HE3 TRP 46 HE3 TRP 46 -6.635 3.568 11.321
316 HZ2 TRP 46 HZ2 TRP 46 -10.850 6.206 10.999
317 HZ3 TRP 46 HZ3 TRP 46 -6.707 5.940 11.974
318 HH2 TRP 46 HH2 TRP 46 -8.766 7.228 11.811
319 H ASN 47 HN ASN 47 -7.916 1.663 6.464
320 HA ASN 47 HA ASN 47 -10.045 -0.318 6.003
321 HB2 ASN 47 HB2 ASN 47 -9.912 2.557 5.082
322 HB3 ASN 47 HB1 ASN 47 -10.992 1.380 4.349
323 HD21 ASN 47 HD21 ASN 47 -11.595 -0.017 6.796
324 HD22 ASN 47 HD22 ASN 47 -12.610 1.028 7.734
325 H CYS 48 HN CYS 48 -9.447 -1.780 4.548
326 HA CYS 48 HA CYS 48 -7.207 -1.160 2.795
327 HB2 CYS 48 HB2 CYS 48 -7.278 -3.274 4.137
328 HB3 CYS 48 HB1 CYS 48 -8.674 -3.783 3.196
329 H ILE 49 HN ILE 49 -7.505 -0.512 0.759
330 HA ILE 49 HA ILE 49 -10.129 -0.581 -0.425
331 HB ILE 49 HB ILE 49 -9.011 0.460 -2.419
332 HG12 ILE 49 HG12 ILE 49 -6.592 0.614 -0.617
333 HG13 ILE 49 HG11 ILE 49 -6.742 -0.516 -1.959
334 HG21 ILE 49 HG21 ILE 49 -8.613 2.623 -1.311
335 HG22 ILE 49 HG22 ILE 49 -8.632 1.808 0.250
336 HG23 ILE 49 HG23 ILE 49 -10.085 1.834 -0.748
337 HD11 ILE 49 HD11 ILE 49 -6.887 1.349 -3.517
338 HD12 ILE 49 HD12 ILE 49 -5.413 1.447 -2.550
339 HD13 ILE 49 HD13 ILE 49 -6.787 2.489 -2.175
340 H PHE 50 HN PHE 50 -7.238 -2.481 -0.639
341 HA PHE 50 HA PHE 50 -7.943 -3.636 -3.177
342 HB2 PHE 50 HB2 PHE 50 -5.605 -3.781 -1.424
343 HB3 PHE 50 HB1 PHE 50 -6.024 -5.325 -2.173
344 HD1 PHE 50 HD1 PHE 50 -5.979 -5.603 -4.572
345 HD2 PHE 50 HD2 PHE 50 -4.886 -1.899 -2.786
346 HE1 PHE 50 HE1 PHE 50 -4.991 -4.870 -6.701
347 HE2 PHE 50 HE2 PHE 50 -3.900 -1.160 -4.908
348 HZ PHE 50 HZ PHE 50 -3.951 -2.645 -6.873
349 H CYS 51 HN CYS 51 -8.419 -4.452 0.194
350 HA CYS 51 HA CYS 51 -9.248 -7.117 -0.178
351 HB2 CYS 51 HB2 CYS 51 -9.695 -5.040 1.900
352 HB3 CYS 51 HB1 CYS 51 -10.838 -6.378 1.863
353 H ARG 52 HN ARG 52 -10.936 -4.052 -0.596
354 HA ARG 52 HA ARG 52 -13.464 -5.366 -1.085
355 HB2 ARG 52 HB2 ARG 52 -12.736 -2.450 -1.430
356 HB3 ARG 52 HB1 ARG 52 -14.358 -3.123 -1.396
357 HG2 ARG 52 HG2 ARG 52 -14.001 -3.815 0.941
358 HG3 ARG 52 HG1 ARG 52 -12.402 -3.072 0.896
359 HD2 ARG 52 HD2 ARG 52 -15.056 -1.682 0.575
360 HD3 ARG 52 HD1 ARG 52 -13.959 -1.566 1.946
361 HE ARG 52 HE ARG 52 -13.135 -0.651 -0.724
362 HH11 ARG 52 HH11 ARG 52 -13.662 -0.016 2.687
363 HH12 ARG 52 HH12 ARG 52 -12.977 1.578 2.617
364 HH21 ARG 52 HH21 ARG 52 -12.244 1.438 -0.807
365 HH22 ARG 52 HH22 ARG 52 -12.170 2.403 0.635
366 H MET 53 HN MET 53 -10.736 -4.872 -2.854
367 HA MET 53 HA MET 53 -12.236 -5.011 -5.381
368 HB2 MET 53 HB2 MET 53 -11.122 -2.774 -4.987
369 HB3 MET 53 HB1 MET 53 -9.580 -3.612 -5.035
370 HG2 MET 53 HG2 MET 53 -10.014 -4.305 -7.327
371 HG3 MET 53 HG1 MET 53 -11.581 -3.500 -7.282
372 HE1 MET 53 HE1 MET 53 -8.156 -2.259 -5.740
373 HE2 MET 53 HE2 MET 53 -7.526 -1.297 -7.077
374 HE3 MET 53 HE3 MET 53 -7.692 -3.044 -7.248
375 H LYS 54 HN LYS 54 -11.089 -7.026 -3.561
376 HA LYS 54 HA LYS 54 -8.732 -8.091 -4.754
377 HB2 LYS 54 HB2 LYS 54 -9.448 -8.533 -2.393
378 HB3 LYS 54 HB1 LYS 54 -10.780 -9.492 -3.016
379 HG2 LYS 54 HG2 LYS 54 -9.190 -11.053 -4.027
380 HG3 LYS 54 HG1 LYS 54 -7.849 -10.098 -3.389
381 HD2 LYS 54 HD2 LYS 54 -8.752 -10.488 -1.097
382 HD3 LYS 54 HD1 LYS 54 -9.952 -11.571 -1.805
383 HE2 LYS 54 HE2 LYS 54 -6.956 -11.906 -1.948
384 HE3 LYS 54 HE1 LYS 54 -8.046 -12.809 -0.901
385 HZ1 LYS 54 HZ1 LYS 54 -7.471 -14.079 -2.855
386 HZ2 LYS 54 HZ2 LYS 54 -8.056 -12.860 -3.868
387 HZ3 LYS 54 HZ3 LYS 54 -9.122 -13.711 -2.872
388 H GLU 55 HN GLU 55 -12.130 -8.405 -5.269
389 HA GLU 55 HA GLU 55 -11.648 -10.041 -7.637
390 HB2 GLU 55 HB2 GLU 55 -12.233 -11.609 -5.837
391 HB3 GLU 55 HB1 GLU 55 -13.693 -10.691 -5.506
392 HG2 GLU 55 HG2 GLU 55 -14.413 -11.205 -7.860
393 HG3 GLU 55 HG1 GLU 55 -13.048 -12.319 -7.943
394 H SER 56 HN SER 56 -13.196 -9.701 -9.271
395 HA SER 56 HA SER 56 -15.118 -7.545 -8.716
396 HB2 SER 56 HB2 SER 56 -13.647 -8.041 -11.316
397 HB3 SER 56 HB1 SER 56 -14.772 -6.724 -10.986
398 HG SER 56 HG SER 56 -12.166 -7.136 -10.010
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 17.522 -3.572 9.708
2 H2 GLY 1 HT2 GLY 1 17.764 -4.299 11.213
3 H3 GLY 1 HT3 GLY 1 16.375 -3.377 10.932
4 HA2 GLY 1 HA1 GLY 1 17.062 -5.943 9.622
5 HA3 GLY 1 HA2 GLY 1 15.847 -5.719 10.870
6 H ALA 2 HN ALA 2 16.756 -4.409 7.697
7 HA ALA 2 HA ALA 2 14.125 -4.927 6.656
8 HB1 ALA 2 HB1 ALA 2 13.622 -2.612 6.047
9 HB2 ALA 2 HB2 ALA 2 15.068 -2.067 6.897
10 HB3 ALA 2 HB3 ALA 2 13.737 -2.792 7.798
11 H MET 3 HN MET 3 16.641 -5.903 6.000
12 HA MET 3 HA MET 3 17.023 -4.757 3.326
13 HB2 MET 3 HB2 MET 3 18.807 -3.890 4.808
14 HB3 MET 3 HB1 MET 3 19.276 -5.542 5.190
15 HG2 MET 3 HG2 MET 3 19.786 -5.908 2.798
16 HG3 MET 3 HG1 MET 3 19.411 -4.215 2.492
17 HE1 MET 3 HE1 MET 3 21.808 -3.951 1.341
18 HE2 MET 3 HE2 MET 3 22.130 -5.651 1.684
19 HE3 MET 3 HE3 MET 3 23.313 -4.421 2.130
20 H GLY 4 HN GLY 4 15.899 -6.493 2.430
21 HA2 GLY 4 HA2 GLY 4 17.033 -8.471 1.199
22 HA3 GLY 4 HA1 GLY 4 17.057 -9.161 2.814
23 H MET 5 HN MET 5 14.666 -8.529 3.842
24 HA MET 5 HA MET 5 12.879 -10.094 2.114
25 HB2 MET 5 HB2 MET 5 11.817 -10.908 4.094
26 HB3 MET 5 HB1 MET 5 13.548 -11.047 4.333
27 HG2 MET 5 HG2 MET 5 11.753 -8.923 5.488
28 HG3 MET 5 HG1 MET 5 12.459 -10.284 6.354
29 HE1 MET 5 HE1 MET 5 14.348 -7.218 7.867
30 HE2 MET 5 HE2 MET 5 13.397 -8.662 8.214
31 HE3 MET 5 HE3 MET 5 12.658 -7.302 7.370
32 H ARG 6 HN ARG 6 13.140 -7.287 1.744
33 HA ARG 6 HA ARG 6 10.456 -6.400 2.562
34 HB2 ARG 6 HB2 ARG 6 12.938 -4.683 2.391
35 HB3 ARG 6 HB1 ARG 6 11.325 -4.118 2.796
36 HG2 ARG 6 HG2 ARG 6 12.710 -6.210 4.434
37 HG3 ARG 6 HG1 ARG 6 12.995 -4.490 4.695
38 HD2 ARG 6 HD2 ARG 6 11.307 -5.221 6.231
39 HD3 ARG 6 HD1 ARG 6 10.550 -4.192 5.021
40 HE ARG 6 HE ARG 6 10.401 -7.005 4.412
41 HH11 ARG 6 HH11 ARG 6 8.903 -4.341 6.121
42 HH12 ARG 6 HH12 ARG 6 7.330 -5.074 6.153
43 HH21 ARG 6 HH21 ARG 6 8.326 -7.982 4.468
44 HH22 ARG 6 HH22 ARG 6 7.002 -7.136 5.208
45 H ASN 7 HN ASN 7 9.234 -5.495 0.993
46 HA ASN 7 HA ASN 7 10.356 -5.433 -1.714
47 HB2 ASN 7 HB2 ASN 7 8.273 -6.725 -1.306
48 HB3 ASN 7 HB1 ASN 7 7.468 -5.241 -0.814
49 HD21 ASN 7 HD21 ASN 7 9.752 -5.458 -3.479
50 HD22 ASN 7 HD22 ASN 7 8.602 -5.141 -4.728
51 H LEU 8 HN LEU 8 9.849 -3.370 0.798
52 HA LEU 8 HA LEU 8 8.903 -1.106 -0.733
53 HB2 LEU 8 HB2 LEU 8 9.029 0.096 1.444
54 HB3 LEU 8 HB1 LEU 8 7.993 -1.315 1.454
55 HG LEU 8 HG LEU 8 10.358 -2.367 2.333
56 HD11 LEU 8 HD11 LEU 8 10.112 0.381 3.539
57 HD12 LEU 8 HD12 LEU 8 11.388 -0.151 2.444
58 HD13 LEU 8 HD13 LEU 8 11.231 -0.884 4.040
59 HD21 LEU 8 HD21 LEU 8 8.135 -1.167 3.976
60 HD22 LEU 8 HD22 LEU 8 9.302 -2.361 4.542
61 HD23 LEU 8 HD23 LEU 8 8.154 -2.784 3.271
62 H ASP 9 HN ASP 9 11.720 -2.481 -0.781
63 HA ASP 9 HA ASP 9 13.492 -0.311 -0.145
64 HB2 ASP 9 HB2 ASP 9 13.893 -2.968 -1.491
65 HB3 ASP 9 HB1 ASP 9 15.186 -1.777 -1.401
66 H GLU 10 HN GLU 10 11.976 -1.587 -3.016
67 HA GLU 10 HA GLU 10 13.263 0.436 -4.684
68 HB2 GLU 10 HB2 GLU 10 11.287 -1.711 -5.471
69 HB3 GLU 10 HB1 GLU 10 12.225 -0.705 -6.566
70 HG2 GLU 10 HG2 GLU 10 13.334 -2.748 -4.654
71 HG3 GLU 10 HG1 GLU 10 13.154 -2.944 -6.397
72 H CYS 11 HN CYS 11 11.044 0.711 -2.567
73 HA CYS 11 HA CYS 11 8.967 1.968 -4.206
74 HB2 CYS 11 HB2 CYS 11 8.328 0.204 -2.578
75 HB3 CYS 11 HB1 CYS 11 8.937 1.213 -1.281
76 H GLU 12 HN GLU 12 9.812 3.942 -4.640
77 HA GLU 12 HA GLU 12 11.366 5.560 -3.010
78 HB2 GLU 12 HB2 GLU 12 9.373 6.414 -5.105
79 HB3 GLU 12 HB1 GLU 12 10.679 7.404 -4.472
80 HG2 GLU 12 HG2 GLU 12 12.320 6.136 -5.533
81 HG3 GLU 12 HG1 GLU 12 11.222 4.780 -5.804
82 H VAL 13 HN VAL 13 7.859 5.371 -3.299
83 HA VAL 13 HA VAL 13 7.342 7.674 -1.764
84 HB VAL 13 HB VAL 13 5.691 6.823 -3.310
85 HG11 VAL 13 HG11 VAL 13 6.162 4.446 -3.108
86 HG12 VAL 13 HG12 VAL 13 4.447 4.786 -2.899
87 HG13 VAL 13 HG13 VAL 13 5.451 4.440 -1.494
88 HG21 VAL 13 HG21 VAL 13 4.908 8.107 -1.379
89 HG22 VAL 13 HG22 VAL 13 4.679 6.602 -0.488
90 HG23 VAL 13 HG23 VAL 13 3.709 6.932 -1.924
91 H CYS 14 HN CYS 14 7.901 4.316 -0.901
92 HA CYS 14 HA CYS 14 7.066 4.571 1.810
93 HB2 CYS 14 HB2 CYS 14 8.504 2.562 0.220
94 HB3 CYS 14 HB1 CYS 14 8.953 2.617 1.919
95 H ARG 15 HN ARG 15 9.979 5.280 0.063
96 HA ARG 15 HA ARG 15 11.690 5.648 2.298
97 HB2 ARG 15 HB2 ARG 15 11.847 7.015 -0.391
98 HB3 ARG 15 HB1 ARG 15 13.155 6.842 0.772
99 HG2 ARG 15 HG2 ARG 15 13.148 4.436 0.451
100 HG3 ARG 15 HG1 ARG 15 11.792 4.578 -0.666
101 HD2 ARG 15 HD2 ARG 15 13.180 5.955 -2.145
102 HD3 ARG 15 HD1 ARG 15 14.537 5.761 -1.040
103 HE ARG 15 HE ARG 15 13.966 3.223 -1.570
104 HH11 ARG 15 HH11 ARG 15 14.242 5.968 -3.739
105 HH12 ARG 15 HH12 ARG 15 14.781 5.010 -5.081
106 HH21 ARG 15 HH21 ARG 15 14.665 1.966 -3.346
107 HH22 ARG 15 HH22 ARG 15 15.028 2.746 -4.859
108 H ASP 16 HN ASP 16 9.508 7.706 0.501
109 HA ASP 16 HA ASP 16 10.034 10.079 1.991
110 HB2 ASP 16 HB2 ASP 16 7.840 9.236 0.116
111 HB3 ASP 16 HB1 ASP 16 7.734 10.753 1.003
112 H GLY 17 HN GLY 17 8.530 7.245 2.864
113 HA2 GLY 17 HA2 GLY 17 7.464 6.721 4.859
114 HA3 GLY 17 HA1 GLY 17 7.421 8.438 5.247
115 H GLY 18 HN GLY 18 6.224 7.225 2.218
116 HA2 GLY 18 HA2 GLY 18 3.702 8.438 2.506
117 HA3 GLY 18 HA1 GLY 18 4.143 7.268 1.276
118 H GLU 19 HN GLU 19 1.627 7.405 2.408
119 HA GLU 19 HA GLU 19 1.432 5.413 4.503
120 HB2 GLU 19 HB2 GLU 19 -0.767 6.885 3.045
121 HB3 GLU 19 HB1 GLU 19 -0.936 5.974 4.540
122 HG2 GLU 19 HG2 GLU 19 0.599 7.599 5.630
123 HG3 GLU 19 HG1 GLU 19 0.603 8.532 4.135
124 H LEU 20 HN LEU 20 -0.116 3.653 4.298
125 HA LEU 20 HA LEU 20 -0.207 2.531 1.579
126 HB2 LEU 20 HB2 LEU 20 0.143 1.295 4.283
127 HB3 LEU 20 HB1 LEU 20 -0.582 0.357 2.993
128 HG LEU 20 HG LEU 20 2.102 1.679 2.664
129 HD11 LEU 20 HD11 LEU 20 1.486 -1.053 3.781
130 HD12 LEU 20 HD12 LEU 20 2.313 0.268 4.607
131 HD13 LEU 20 HD13 LEU 20 3.077 -0.530 3.231
132 HD21 LEU 20 HD21 LEU 20 0.722 -0.641 1.315
133 HD22 LEU 20 HD22 LEU 20 2.375 -0.128 0.996
134 HD23 LEU 20 HD23 LEU 20 1.030 0.948 0.618
135 H PHE 21 HN PHE 21 -2.192 2.057 0.737
136 HA PHE 21 HA PHE 21 -4.508 2.568 2.474
137 HB2 PHE 21 HB2 PHE 21 -4.515 2.304 -0.542
138 HB3 PHE 21 HB1 PHE 21 -5.737 3.067 0.480
139 HD1 PHE 21 HD1 PHE 21 -4.695 5.023 2.022
140 HD2 PHE 21 HD2 PHE 21 -3.141 3.698 -1.715
141 HE1 PHE 21 HE1 PHE 21 -3.535 7.164 1.748
142 HE2 PHE 21 HE2 PHE 21 -1.984 5.845 -1.996
143 HZ PHE 21 HZ PHE 21 -2.176 7.581 -0.262
144 H CYS 22 HN CYS 22 -3.007 0.197 2.638
145 HA CYS 22 HA CYS 22 -5.036 -1.780 1.947
146 HB2 CYS 22 HB2 CYS 22 -2.110 -1.868 1.233
147 HB3 CYS 22 HB1 CYS 22 -3.061 -3.343 1.387
148 H CYS 23 HN CYS 23 -4.800 -3.754 3.191
149 HA CYS 23 HA CYS 23 -3.839 -3.242 5.882
150 HB2 CYS 23 HB2 CYS 23 -5.041 -5.222 6.505
151 HB3 CYS 23 HB1 CYS 23 -6.069 -4.377 5.346
152 H ASP 24 HN ASP 24 -2.610 -5.238 6.891
153 HA ASP 24 HA ASP 24 -0.072 -5.109 5.763
154 HB2 ASP 24 HB2 ASP 24 -1.226 -7.023 7.772
155 HB3 ASP 24 HB1 ASP 24 0.458 -7.097 7.273
156 H THR 25 HN THR 25 -2.478 -7.675 5.438
157 HA THR 25 HA THR 25 -0.860 -9.515 4.077
158 HB THR 25 HB THR 25 -3.839 -9.156 3.750
159 HG1 THR 25 HG1 THR 25 -2.273 -10.122 5.851
160 HG21 THR 25 HG21 THR 25 -2.078 -11.590 3.445
161 HG22 THR 25 HG22 THR 25 -2.818 -10.685 2.125
162 HG23 THR 25 HG23 THR 25 -3.832 -11.557 3.273
163 H CYS 26 HN CYS 26 -3.119 -7.080 2.761
164 HA CYS 26 HA CYS 26 -2.565 -7.827 0.057
165 HB2 CYS 26 HB2 CYS 26 -3.895 -5.324 1.107
166 HB3 CYS 26 HB1 CYS 26 -3.927 -5.875 -0.559
167 H SER 27 HN SER 27 -1.334 -5.401 2.269
168 HA SER 27 HA SER 27 -0.044 -3.731 0.420
169 HB2 SER 27 HB2 SER 27 0.672 -4.332 3.294
170 HB3 SER 27 HB1 SER 27 1.320 -2.994 2.351
171 HG SER 27 HG SER 27 -0.499 -2.461 3.718
172 H ARG 28 HN ARG 28 0.850 -6.843 1.669
173 HA ARG 28 HA ARG 28 3.611 -6.556 0.847
174 HB2 ARG 28 HB2 ARG 28 2.039 -8.843 2.029
175 HB3 ARG 28 HB1 ARG 28 3.727 -8.987 1.554
176 HG2 ARG 28 HG2 ARG 28 4.381 -7.331 3.161
177 HG3 ARG 28 HG1 ARG 28 2.696 -6.983 3.551
178 HD2 ARG 28 HD2 ARG 28 3.686 -8.381 5.260
179 HD3 ARG 28 HD1 ARG 28 2.431 -9.268 4.399
180 HE ARG 28 HE ARG 28 4.819 -9.877 3.140
181 HH11 ARG 28 HH11 ARG 28 3.423 -10.219 6.324
182 HH12 ARG 28 HH12 ARG 28 4.303 -11.665 6.702
183 HH21 ARG 28 HH21 ARG 28 6.010 -11.776 3.635
184 HH22 ARG 28 HH22 ARG 28 5.793 -12.542 5.176
185 H VAL 29 HN VAL 29 0.658 -7.548 -0.515
186 HA VAL 29 HA VAL 29 1.950 -9.239 -2.512
187 HB VAL 29 HB VAL 29 -0.999 -8.693 -2.170
188 HG11 VAL 29 HG11 VAL 29 -0.375 -9.474 -4.401
189 HG12 VAL 29 HG12 VAL 29 -1.292 -10.700 -3.528
190 HG13 VAL 29 HG13 VAL 29 0.457 -10.855 -3.687
191 HG21 VAL 29 HG21 VAL 29 -0.132 -9.750 -0.169
192 HG22 VAL 29 HG22 VAL 29 0.659 -10.990 -1.143
193 HG23 VAL 29 HG23 VAL 29 -1.101 -10.895 -1.092
194 H PHE 30 HN PHE 30 -0.083 -6.316 -2.325
195 HA PHE 30 HA PHE 30 0.708 -5.717 -5.111
196 HB2 PHE 30 HB2 PHE 30 -1.820 -4.775 -3.737
197 HB3 PHE 30 HB1 PHE 30 -1.399 -4.580 -5.436
198 HD1 PHE 30 HD1 PHE 30 -1.049 -6.823 -6.771
199 HD2 PHE 30 HD2 PHE 30 -3.188 -6.501 -3.102
200 HE1 PHE 30 HE1 PHE 30 -2.238 -8.914 -7.280
201 HE2 PHE 30 HE2 PHE 30 -4.374 -8.593 -3.604
202 HZ PHE 30 HZ PHE 30 -3.900 -9.804 -5.697
203 H HIS 31 HN HIS 31 2.372 -5.040 -3.131
204 HA HIS 31 HA HIS 31 2.034 -2.839 -1.564
205 HB2 HIS 31 HB2 HIS 31 4.006 -4.370 -1.625
206 HB3 HIS 31 HB1 HIS 31 4.575 -3.516 -3.053
207 HD1 HIS 31 HD1 HIS 31 3.673 -2.639 0.557
208 HD2 HIS 31 HD2 HIS 31 6.314 -1.568 -2.463
209 HE1 HIS 31 HE1 HIS 31 5.273 -0.961 1.577
210 H GLU 32 HN GLU 32 3.118 -2.794 -4.953
211 HA GLU 32 HA GLU 32 3.769 -0.051 -5.004
212 HB2 GLU 32 HB2 GLU 32 4.627 -1.654 -6.655
213 HB3 GLU 32 HB1 GLU 32 3.001 -1.883 -7.283
214 HG2 GLU 32 HG2 GLU 32 2.972 0.552 -7.857
215 HG3 GLU 32 HG1 GLU 32 4.677 0.611 -7.411
216 H ASP 33 HN ASP 33 0.825 -1.804 -5.887
217 HA ASP 33 HA ASP 33 -0.492 0.526 -6.925
218 HB2 ASP 33 HB2 ASP 33 -0.930 -1.920 -7.572
219 HB3 ASP 33 HB1 ASP 33 -1.837 -2.033 -6.071
220 H CYS 34 HN CYS 34 -0.143 -1.008 -3.866
221 HA CYS 34 HA CYS 34 -2.438 0.133 -2.610
222 HB2 CYS 34 HB2 CYS 34 0.028 -1.271 -1.594
223 HB3 CYS 34 HB1 CYS 34 -1.171 -0.592 -0.494
224 H HIS 35 HN HIS 35 0.377 1.538 -3.660
225 HA HIS 35 HA HIS 35 0.272 3.640 -1.609
226 HB2 HIS 35 HB2 HIS 35 2.332 2.947 -3.695
227 HB3 HIS 35 HB1 HIS 35 2.363 4.473 -2.813
228 HD1 HIS 35 HD1 HIS 35 2.816 4.293 -0.186
229 HD2 HIS 35 HD2 HIS 35 3.207 0.753 -2.330
230 HE1 HIS 35 HE1 HIS 35 4.087 2.694 1.306
231 H ILE 36 HN ILE 36 -1.211 2.948 -4.405
232 HA ILE 36 HA ILE 36 -1.198 5.735 -5.367
233 HB ILE 36 HB ILE 36 -1.724 3.208 -6.949
234 HG12 ILE 36 HG12 ILE 36 0.637 5.106 -7.000
235 HG13 ILE 36 HG11 ILE 36 0.642 3.478 -6.333
236 HG21 ILE 36 HG21 ILE 36 -1.530 6.064 -7.899
237 HG22 ILE 36 HG22 ILE 36 -3.015 5.123 -7.763
238 HG23 ILE 36 HG23 ILE 36 -1.768 4.642 -8.913
239 HD11 ILE 36 HD11 ILE 36 0.210 4.195 -9.225
240 HD12 ILE 36 HD12 ILE 36 0.222 2.563 -8.558
241 HD13 ILE 36 HD13 ILE 36 1.691 3.539 -8.522
242 HA PRO 37 HA PRO 37 -2.452 7.176 -6.484
243 HB2 PRO 37 HB2 PRO 37 -4.282 8.935 -5.012
244 HB3 PRO 37 HB1 PRO 37 -4.049 8.784 -6.762
245 HG2 PRO 37 HG2 PRO 37 -6.299 7.937 -5.538
246 HG3 PRO 37 HG1 PRO 37 -5.627 7.111 -6.958
247 HD2 PRO 37 HD2 PRO 37 -5.399 6.374 -4.052
248 HD3 PRO 37 HD1 PRO 37 -5.739 5.329 -5.453
249 HA PRO 38 HA PRO 38 0.355 7.790 -3.142
250 HB2 PRO 38 HB2 PRO 38 1.456 10.165 -4.103
251 HB3 PRO 38 HB1 PRO 38 2.003 8.533 -4.500
252 HG2 PRO 38 HG2 PRO 38 0.229 10.373 -6.040
253 HG3 PRO 38 HG1 PRO 38 1.438 9.219 -6.633
254 HD2 PRO 38 HD2 PRO 38 -1.196 8.691 -6.776
255 HD3 PRO 38 HD1 PRO 38 -0.011 7.407 -6.439
256 H VAL 39 HN VAL 39 0.665 9.049 -1.327
257 HA VAL 39 HA VAL 39 -1.658 10.385 -0.419
258 HB VAL 39 HB VAL 39 1.080 10.259 0.845
259 HG11 VAL 39 HG11 VAL 39 -0.087 10.718 2.946
260 HG12 VAL 39 HG12 VAL 39 -1.593 10.931 2.052
261 HG13 VAL 39 HG13 VAL 39 -0.249 12.045 1.796
262 HG21 VAL 39 HG21 VAL 39 0.121 8.046 0.424
263 HG22 VAL 39 HG22 VAL 39 -1.333 8.522 1.301
264 HG23 VAL 39 HG23 VAL 39 0.209 8.411 2.143
265 H GLU 40 HN GLU 40 -2.215 12.435 -0.660
266 HA GLU 40 HA GLU 40 -0.151 14.383 -1.389
267 HB2 GLU 40 HB2 GLU 40 -3.163 14.567 -1.623
268 HB3 GLU 40 HB1 GLU 40 -2.023 15.792 -2.158
269 HG2 GLU 40 HG2 GLU 40 -1.133 14.325 -3.826
270 HG3 GLU 40 HG1 GLU 40 -2.091 12.979 -3.215
271 H ALA 41 HN ALA 41 -2.822 13.842 0.866
272 HA ALA 41 HA ALA 41 -1.447 15.383 2.881
273 HB1 ALA 41 HB1 ALA 41 -3.318 16.905 3.316
274 HB2 ALA 41 HB2 ALA 41 -4.161 16.266 1.908
275 HB3 ALA 41 HB3 ALA 41 -2.648 17.146 1.704
276 H GLU 42 HN GLU 42 -1.852 12.756 2.948
277 HA GLU 42 HA GLU 42 -2.614 11.022 4.199
278 HB2 GLU 42 HB2 GLU 42 -3.920 13.183 5.854
279 HB3 GLU 42 HB1 GLU 42 -3.736 11.501 6.334
280 HG2 GLU 42 HG2 GLU 42 -1.315 11.739 6.271
281 HG3 GLU 42 HG1 GLU 42 -1.486 13.421 5.767
282 H ARG 43 HN ARG 43 -4.106 9.598 3.548
283 HA ARG 43 HA ARG 43 -6.879 10.445 3.356
284 HB2 ARG 43 HB2 ARG 43 -7.080 9.482 1.030
285 HB3 ARG 43 HB1 ARG 43 -6.264 11.030 1.166
286 HG2 ARG 43 HG2 ARG 43 -4.118 9.985 0.893
287 HG3 ARG 43 HG1 ARG 43 -4.854 8.381 0.937
288 HD2 ARG 43 HD2 ARG 43 -5.397 10.493 -1.146
289 HD3 ARG 43 HD1 ARG 43 -4.310 9.121 -1.355
290 HE ARG 43 HE ARG 43 -6.651 7.952 -0.659
291 HH11 ARG 43 HH11 ARG 43 -5.750 10.260 -3.129
292 HH12 ARG 43 HH12 ARG 43 -7.002 9.768 -4.224
293 HH21 ARG 43 HH21 ARG 43 -8.291 7.290 -2.106
294 HH22 ARG 43 HH22 ARG 43 -8.446 8.087 -3.643
295 H THR 44 HN THR 44 -7.238 9.048 5.006
296 HA THR 44 HA THR 44 -7.816 7.117 6.046
297 HB THR 44 HB THR 44 -9.113 5.508 4.597
298 HG1 THR 44 HG1 THR 44 -7.792 6.558 2.653
299 HG21 THR 44 HG21 THR 44 -9.844 8.431 4.416
300 HG22 THR 44 HG22 THR 44 -10.177 7.370 5.782
301 HG23 THR 44 HG23 THR 44 -10.954 7.076 4.228
302 HA PRO 45 HA PRO 45 -4.174 4.522 4.907
303 HB2 PRO 45 HB2 PRO 45 -3.281 4.868 7.637
304 HB3 PRO 45 HB1 PRO 45 -2.489 5.387 6.146
305 HG2 PRO 45 HG2 PRO 45 -3.547 7.122 7.977
306 HG3 PRO 45 HG1 PRO 45 -3.388 7.489 6.249
307 HD2 PRO 45 HD2 PRO 45 -5.802 6.582 7.784
308 HD3 PRO 45 HD1 PRO 45 -5.679 7.816 6.505
309 H TRP 46 HN TRP 46 -6.594 4.520 7.334
310 HA TRP 46 HA TRP 46 -6.021 1.748 8.107
311 HB2 TRP 46 HB2 TRP 46 -7.944 2.243 9.783
312 HB3 TRP 46 HB1 TRP 46 -6.377 2.999 10.064
313 HD1 TRP 46 HD1 TRP 46 -9.918 3.862 8.803
314 HE1 TRP 46 HE1 TRP 46 -10.264 6.400 9.043
315 HE3 TRP 46 HE3 TRP 46 -5.197 5.201 10.265
316 HZ2 TRP 46 HZ2 TRP 46 -8.744 8.660 9.742
317 HZ3 TRP 46 HZ3 TRP 46 -4.733 7.580 10.698
318 HH2 TRP 46 HH2 TRP 46 -6.468 9.269 10.440
319 H ASN 47 HN ASN 47 -6.876 2.145 5.539
320 HA ASN 47 HA ASN 47 -9.437 0.750 5.538
321 HB2 ASN 47 HB2 ASN 47 -10.079 3.082 5.178
322 HB3 ASN 47 HB1 ASN 47 -8.851 3.261 3.933
323 HD21 ASN 47 HD21 ASN 47 -11.972 1.909 4.707
324 HD22 ASN 47 HD22 ASN 47 -12.439 1.571 3.076
325 H CYS 48 HN CYS 48 -9.242 -1.012 4.208
326 HA CYS 48 HA CYS 48 -6.946 -0.989 2.390
327 HB2 CYS 48 HB2 CYS 48 -7.202 -2.880 4.083
328 HB3 CYS 48 HB1 CYS 48 -8.608 -3.408 3.161
329 H ILE 49 HN ILE 49 -7.289 -0.645 0.310
330 HA ILE 49 HA ILE 49 -9.984 -0.598 -0.714
331 HB ILE 49 HB ILE 49 -8.833 0.065 -2.891
332 HG12 ILE 49 HG12 ILE 49 -6.446 0.358 -1.066
333 HG13 ILE 49 HG11 ILE 49 -6.607 -0.882 -2.305
334 HG21 ILE 49 HG21 ILE 49 -9.891 1.701 -1.475
335 HG22 ILE 49 HG22 ILE 49 -8.372 2.356 -2.085
336 HG23 ILE 49 HG23 ILE 49 -8.473 1.764 -0.428
337 HD11 ILE 49 HD11 ILE 49 -5.205 0.959 -3.053
338 HD12 ILE 49 HD12 ILE 49 -6.530 2.092 -2.776
339 HD13 ILE 49 HD13 ILE 49 -6.677 0.851 -4.020
340 H PHE 50 HN PHE 50 -7.369 -2.826 -0.729
341 HA PHE 50 HA PHE 50 -8.254 -4.149 -3.152
342 HB2 PHE 50 HB2 PHE 50 -5.926 -4.533 -1.327
343 HB3 PHE 50 HB1 PHE 50 -6.469 -5.908 -2.298
344 HD1 PHE 50 HD2 PHE 50 -5.129 -2.486 -2.428
345 HD2 PHE 50 HD1 PHE 50 -6.192 -5.945 -4.662
346 HE1 PHE 50 HE2 PHE 50 -3.985 -1.563 -4.394
347 HE2 PHE 50 HE1 PHE 50 -5.049 -5.027 -6.635
348 HZ PHE 50 HZ PHE 50 -3.945 -2.831 -6.504
349 H CYS 51 HN CYS 51 -8.558 -4.513 0.299
350 HA CYS 51 HA CYS 51 -9.625 -7.128 0.295
351 HB2 CYS 51 HB2 CYS 51 -9.548 -4.860 2.210
352 HB3 CYS 51 HB1 CYS 51 -10.779 -6.087 2.479
353 H ARG 52 HN ARG 52 -10.978 -4.044 -0.530
354 HA ARG 52 HA ARG 52 -13.678 -5.147 -0.395
355 HB2 ARG 52 HB2 ARG 52 -12.731 -2.295 -0.717
356 HB3 ARG 52 HB1 ARG 52 -14.412 -2.799 -0.658
357 HG2 ARG 52 HG2 ARG 52 -14.100 -3.624 1.616
358 HG3 ARG 52 HG1 ARG 52 -12.400 -3.154 1.556
359 HD2 ARG 52 HD2 ARG 52 -13.821 -1.519 2.744
360 HD3 ARG 52 HD1 ARG 52 -13.002 -0.833 1.342
361 HE ARG 52 HE ARG 52 -15.397 -1.565 0.336
362 HH11 ARG 52 HH11 ARG 52 -14.557 0.229 3.220
363 HH12 ARG 52 HH12 ARG 52 -15.913 1.305 3.099
364 HH21 ARG 52 HH21 ARG 52 -17.198 -0.170 0.185
365 HH22 ARG 52 HH22 ARG 52 -17.421 1.073 1.377
366 H MET 53 HN MET 53 -11.475 -5.515 -2.526
367 HA MET 53 HA MET 53 -12.294 -4.298 -4.898
368 HB2 MET 53 HB2 MET 53 -11.067 -5.999 -6.082
369 HB3 MET 53 HB1 MET 53 -10.172 -5.570 -4.634
370 HG2 MET 53 HG2 MET 53 -10.790 -7.586 -3.548
371 HG3 MET 53 HG1 MET 53 -11.977 -7.969 -4.793
372 HE1 MET 53 HE1 MET 53 -8.189 -7.696 -3.878
373 HE2 MET 53 HE2 MET 53 -8.284 -6.601 -5.257
374 HE3 MET 53 HE3 MET 53 -7.401 -8.121 -5.396
375 H LYS 54 HN LYS 54 -13.606 -7.038 -3.198
376 HA LYS 54 HA LYS 54 -15.400 -8.379 -3.539
377 HB2 LYS 54 HB2 LYS 54 -16.437 -6.145 -3.154
378 HB3 LYS 54 HB1 LYS 54 -16.493 -5.909 -4.893
379 HG2 LYS 54 HG2 LYS 54 -17.973 -7.855 -5.107
380 HG3 LYS 54 HG1 LYS 54 -17.947 -8.053 -3.353
381 HD2 LYS 54 HD2 LYS 54 -18.887 -5.780 -3.119
382 HD3 LYS 54 HD1 LYS 54 -18.992 -5.667 -4.877
383 HE2 LYS 54 HE2 LYS 54 -20.484 -7.625 -4.887
384 HE3 LYS 54 HE1 LYS 54 -20.402 -7.680 -3.126
385 HZ1 LYS 54 HZ1 LYS 54 -22.396 -6.563 -3.833
386 HZ2 LYS 54 HZ2 LYS 54 -21.508 -5.459 -4.756
387 HZ3 LYS 54 HZ3 LYS 54 -21.374 -5.450 -3.072
388 H GLU 55 HN GLU 55 -14.054 -9.627 -5.066
389 HA GLU 55 HA GLU 55 -15.370 -9.716 -7.679
390 HB2 GLU 55 HB2 GLU 55 -12.400 -9.717 -7.201
391 HB3 GLU 55 HB1 GLU 55 -13.115 -10.355 -8.671
392 HG2 GLU 55 HG2 GLU 55 -14.193 -8.096 -8.981
393 HG3 GLU 55 HG1 GLU 55 -13.156 -7.525 -7.673
394 H SER 56 HN SER 56 -16.022 -11.692 -8.209
395 HA SER 56 HA SER 56 -15.514 -13.906 -6.485
396 HB2 SER 56 HB2 SER 56 -16.826 -15.147 -8.299
397 HB3 SER 56 HB1 SER 56 -17.664 -13.821 -7.496
398 HG SER 56 HG SER 56 -16.238 -13.498 -9.926
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 6.278 -16.033 6.967
2 H2 GLY 1 HT2 GLY 1 7.758 -15.843 7.759
3 H3 GLY 1 HT3 GLY 1 7.709 -16.530 6.216
4 HA2 GLY 1 HA1 GLY 1 8.482 -14.260 6.093
5 HA3 GLY 1 HA2 GLY 1 6.939 -14.455 5.276
6 H ALA 2 HN ALA 2 5.842 -12.644 5.551
7 HA ALA 2 HA ALA 2 4.654 -10.978 6.518
8 HB1 ALA 2 HB1 ALA 2 4.042 -11.100 8.882
9 HB2 ALA 2 HB2 ALA 2 5.213 -12.397 9.121
10 HB3 ALA 2 HB3 ALA 2 3.816 -12.651 8.077
11 H MET 3 HN MET 3 7.086 -11.567 9.046
12 HA MET 3 HA MET 3 7.829 -8.740 8.894
13 HB2 MET 3 HB2 MET 3 7.257 -9.810 11.095
14 HB3 MET 3 HB1 MET 3 8.674 -10.829 10.914
15 HG2 MET 3 HG2 MET 3 10.110 -8.854 10.939
16 HG3 MET 3 HG1 MET 3 8.689 -7.824 11.106
17 HE1 MET 3 HE1 MET 3 11.295 -7.876 13.031
18 HE2 MET 3 HE2 MET 3 10.529 -7.680 14.607
19 HE3 MET 3 HE3 MET 3 9.969 -6.730 13.230
20 H GLY 4 HN GLY 4 8.567 -10.905 6.955
21 HA2 GLY 4 HA2 GLY 4 11.496 -10.556 7.103
22 HA3 GLY 4 HA1 GLY 4 10.761 -12.059 6.559
23 H MET 5 HN MET 5 9.598 -8.845 5.785
24 HA MET 5 HA MET 5 10.542 -9.204 3.028
25 HB2 MET 5 HB2 MET 5 8.147 -9.819 3.168
26 HB3 MET 5 HB1 MET 5 7.790 -8.227 3.820
27 HG2 MET 5 HG2 MET 5 8.590 -7.204 1.741
28 HG3 MET 5 HG1 MET 5 8.916 -8.807 1.089
29 HE1 MET 5 HE1 MET 5 5.311 -10.322 0.851
30 HE2 MET 5 HE2 MET 5 6.394 -10.449 2.236
31 HE3 MET 5 HE3 MET 5 7.033 -10.605 0.601
32 H ARG 6 HN ARG 6 12.229 -7.763 3.761
33 HA ARG 6 HA ARG 6 11.355 -4.993 4.135
34 HB2 ARG 6 HB2 ARG 6 14.077 -6.261 4.460
35 HB3 ARG 6 HB1 ARG 6 13.747 -4.549 4.672
36 HG2 ARG 6 HG2 ARG 6 12.477 -6.746 6.292
37 HG3 ARG 6 HG1 ARG 6 13.888 -5.815 6.793
38 HD2 ARG 6 HD2 ARG 6 11.993 -4.844 7.856
39 HD3 ARG 6 HD1 ARG 6 12.481 -3.744 6.569
40 HE ARG 6 HE ARG 6 10.429 -5.623 5.804
41 HH11 ARG 6 HH11 ARG 6 11.058 -2.502 7.263
42 HH12 ARG 6 HH12 ARG 6 9.500 -1.858 6.850
43 HH21 ARG 6 HH21 ARG 6 8.386 -4.770 5.250
44 HH22 ARG 6 HH22 ARG 6 7.986 -3.143 5.713
45 H ASN 7 HN ASN 7 10.643 -4.869 1.924
46 HA ASN 7 HA ASN 7 12.871 -4.134 0.177
47 HB2 ASN 7 HB2 ASN 7 12.084 -6.416 -0.464
48 HB3 ASN 7 HB1 ASN 7 10.501 -5.721 -0.813
49 HD21 ASN 7 HD21 ASN 7 10.574 -6.207 -3.012
50 HD22 ASN 7 HD22 ASN 7 11.636 -5.387 -4.108
51 H LEU 8 HN LEU 8 11.709 -2.227 1.487
52 HA LEU 8 HA LEU 8 9.798 -1.022 -0.378
53 HB2 LEU 8 HB2 LEU 8 9.671 0.819 1.359
54 HB3 LEU 8 HB1 LEU 8 8.992 -0.733 1.803
55 HG LEU 8 HG LEU 8 11.250 -1.155 2.983
56 HD11 LEU 8 HD11 LEU 8 12.439 0.807 3.734
57 HD12 LEU 8 HD12 LEU 8 11.353 1.851 2.820
58 HD13 LEU 8 HD13 LEU 8 12.438 0.751 1.971
59 HD21 LEU 8 HD21 LEU 8 10.450 -0.041 4.999
60 HD22 LEU 8 HD22 LEU 8 9.129 -0.824 4.131
61 HD23 LEU 8 HD23 LEU 8 9.339 0.925 4.029
62 H ASP 9 HN ASP 9 12.714 -1.540 -0.629
63 HA ASP 9 HA ASP 9 13.960 1.065 -0.739
64 HB2 ASP 9 HB2 ASP 9 14.906 -1.679 -1.569
65 HB3 ASP 9 HB1 ASP 9 15.868 -0.224 -1.801
66 H GLU 10 HN GLU 10 12.221 -1.039 -2.816
67 HA GLU 10 HA GLU 10 12.978 0.434 -5.209
68 HB2 GLU 10 HB2 GLU 10 10.982 -1.816 -4.879
69 HB3 GLU 10 HB1 GLU 10 11.550 -1.150 -6.403
70 HG2 GLU 10 HG2 GLU 10 13.833 -1.899 -5.841
71 HG3 GLU 10 HG1 GLU 10 13.196 -2.646 -4.377
72 H CYS 11 HN CYS 11 11.002 0.902 -2.692
73 HA CYS 11 HA CYS 11 8.835 2.128 -4.243
74 HB2 CYS 11 HB2 CYS 11 8.312 0.403 -2.464
75 HB3 CYS 11 HB1 CYS 11 8.907 1.555 -1.281
76 H GLU 12 HN GLU 12 9.811 4.055 -4.783
77 HA GLU 12 HA GLU 12 11.460 5.593 -3.125
78 HB2 GLU 12 HB2 GLU 12 9.700 6.569 -5.373
79 HB3 GLU 12 HB1 GLU 12 11.122 7.380 -4.734
80 HG2 GLU 12 HG2 GLU 12 12.537 5.571 -5.533
81 HG3 GLU 12 HG1 GLU 12 11.118 4.715 -6.136
82 H VAL 13 HN VAL 13 8.016 5.493 -3.555
83 HA VAL 13 HA VAL 13 7.423 7.903 -2.216
84 HB VAL 13 HB VAL 13 5.804 6.954 -3.714
85 HG11 VAL 13 HG11 VAL 13 4.642 4.894 -3.313
86 HG12 VAL 13 HG12 VAL 13 5.529 4.641 -1.814
87 HG13 VAL 13 HG13 VAL 13 6.374 4.587 -3.360
88 HG21 VAL 13 HG21 VAL 13 3.787 6.975 -2.315
89 HG22 VAL 13 HG22 VAL 13 4.894 8.287 -1.916
90 HG23 VAL 13 HG23 VAL 13 4.803 6.865 -0.878
91 H CYS 14 HN CYS 14 7.909 4.605 -1.074
92 HA CYS 14 HA CYS 14 7.000 5.077 1.571
93 HB2 CYS 14 HB2 CYS 14 8.419 2.923 0.186
94 HB3 CYS 14 HB1 CYS 14 8.815 3.081 1.893
95 H ARG 15 HN ARG 15 9.977 5.677 -0.066
96 HA ARG 15 HA ARG 15 11.605 6.145 2.199
97 HB2 ARG 15 HB2 ARG 15 11.727 7.254 -0.603
98 HB3 ARG 15 HB1 ARG 15 12.957 7.566 0.613
99 HG2 ARG 15 HG2 ARG 15 13.550 5.264 0.714
100 HG3 ARG 15 HG1 ARG 15 12.173 4.810 -0.291
101 HD2 ARG 15 HD2 ARG 15 14.273 4.813 -1.558
102 HD3 ARG 15 HD1 ARG 15 13.129 6.001 -2.175
103 HE ARG 15 HE ARG 15 14.885 7.188 -0.293
104 HH11 ARG 15 HH11 ARG 15 14.802 5.975 -3.579
105 HH12 ARG 15 HH12 ARG 15 16.017 7.073 -4.152
106 HH21 ARG 15 HH21 ARG 15 16.497 8.632 -1.051
107 HH22 ARG 15 HH22 ARG 15 16.984 8.576 -2.715
108 H ASP 16 HN ASP 16 9.391 8.137 0.370
109 HA ASP 16 HA ASP 16 9.869 10.495 1.944
110 HB2 ASP 16 HB2 ASP 16 7.878 9.759 -0.184
111 HB3 ASP 16 HB1 ASP 16 7.716 11.258 0.727
112 H GLY 17 HN GLY 17 8.367 7.679 2.685
113 HA2 GLY 17 HA2 GLY 17 7.437 7.852 5.050
114 HA3 GLY 17 HA1 GLY 17 6.294 8.982 4.331
115 H GLY 18 HN GLY 18 5.828 7.703 1.944
116 HA2 GLY 18 HA2 GLY 18 4.280 6.262 1.042
117 HA3 GLY 18 HA1 GLY 18 5.222 5.039 1.861
118 H GLU 19 HN GLU 19 2.309 6.951 1.929
119 HA GLU 19 HA GLU 19 1.389 5.721 4.382
120 HB2 GLU 19 HB2 GLU 19 -0.014 7.497 2.376
121 HB3 GLU 19 HB1 GLU 19 -0.725 6.935 3.884
122 HG2 GLU 19 HG2 GLU 19 1.749 8.641 3.676
123 HG3 GLU 19 HG1 GLU 19 0.128 9.249 4.003
124 H LEU 20 HN LEU 20 0.438 3.797 4.457
125 HA LEU 20 HA LEU 20 -0.353 2.523 1.942
126 HB2 LEU 20 HB2 LEU 20 0.473 1.462 4.619
127 HB3 LEU 20 HB1 LEU 20 -0.384 0.446 3.478
128 HG LEU 20 HG LEU 20 2.220 1.829 2.828
129 HD11 LEU 20 HD11 LEU 20 1.745 -0.992 3.784
130 HD12 LEU 20 HD12 LEU 20 2.558 0.287 4.685
131 HD13 LEU 20 HD13 LEU 20 3.280 -0.344 3.206
132 HD21 LEU 20 HD21 LEU 20 0.920 1.201 0.873
133 HD22 LEU 20 HD22 LEU 20 0.702 -0.429 1.511
134 HD23 LEU 20 HD23 LEU 20 2.308 0.125 1.041
135 H PHE 21 HN PHE 21 -2.372 1.802 1.571
136 HA PHE 21 HA PHE 21 -4.343 2.085 3.747
137 HB2 PHE 21 HB2 PHE 21 -4.737 2.713 0.805
138 HB3 PHE 21 HB1 PHE 21 -6.000 2.786 2.036
139 HD1 PHE 21 HD1 PHE 21 -5.665 4.391 3.986
140 HD2 PHE 21 HD2 PHE 21 -3.343 4.558 0.414
141 HE1 PHE 21 HE1 PHE 21 -5.006 6.691 4.521
142 HE2 PHE 21 HE2 PHE 21 -2.693 6.864 0.946
143 HZ PHE 21 HZ PHE 21 -3.523 7.936 3.002
144 H CYS 22 HN CYS 22 -3.001 -0.247 3.327
145 HA CYS 22 HA CYS 22 -5.130 -1.993 2.296
146 HB2 CYS 22 HB2 CYS 22 -2.157 -2.318 1.836
147 HB3 CYS 22 HB1 CYS 22 -3.400 -3.450 1.310
148 H CYS 23 HN CYS 23 -5.153 -4.140 3.234
149 HA CYS 23 HA CYS 23 -4.429 -4.378 5.956
150 HB2 CYS 23 HB2 CYS 23 -4.801 -6.720 4.076
151 HB3 CYS 23 HB1 CYS 23 -5.114 -6.667 5.807
152 H ASP 24 HN ASP 24 -2.794 -5.921 6.844
153 HA ASP 24 HA ASP 24 -0.234 -5.588 5.906
154 HB2 ASP 24 HB2 ASP 24 -1.326 -7.953 7.444
155 HB3 ASP 24 HB1 ASP 24 0.384 -7.585 7.251
156 H THR 25 HN THR 25 -2.282 -8.449 5.355
157 HA THR 25 HA THR 25 -0.563 -9.782 3.616
158 HB THR 25 HB THR 25 -3.580 -9.861 3.547
159 HG1 THR 25 HG1 THR 25 -3.430 -10.833 5.415
160 HG21 THR 25 HG21 THR 25 -3.249 -12.145 2.705
161 HG22 THR 25 HG22 THR 25 -1.503 -11.898 2.720
162 HG23 THR 25 HG23 THR 25 -2.518 -10.954 1.630
163 H CYS 26 HN CYS 26 -3.176 -7.478 2.875
164 HA CYS 26 HA CYS 26 -2.949 -7.695 0.071
165 HB2 CYS 26 HB2 CYS 26 -4.052 -5.418 1.732
166 HB3 CYS 26 HB1 CYS 26 -4.300 -5.625 0.002
167 H SER 27 HN SER 27 -1.372 -5.627 2.430
168 HA SER 27 HA SER 27 -0.110 -3.893 0.555
169 HB2 SER 27 HB2 SER 27 -0.439 -3.266 2.920
170 HB3 SER 27 HB1 SER 27 0.658 -4.549 3.415
171 HG SER 27 HG SER 27 1.303 -2.289 1.823
172 H ARG 28 HN ARG 28 0.731 -6.966 2.009
173 HA ARG 28 HA ARG 28 3.462 -6.929 1.178
174 HB2 ARG 28 HB2 ARG 28 1.623 -9.051 2.249
175 HB3 ARG 28 HB1 ARG 28 3.235 -9.455 1.680
176 HG2 ARG 28 HG2 ARG 28 4.272 -8.223 3.367
177 HG3 ARG 28 HG1 ARG 28 2.808 -7.311 3.728
178 HD2 ARG 28 HD2 ARG 28 3.399 -9.045 5.427
179 HD3 ARG 28 HD1 ARG 28 1.785 -9.212 4.746
180 HE ARG 28 HE ARG 28 3.621 -10.800 3.293
181 HH11 ARG 28 HH11 ARG 28 1.955 -10.662 6.363
182 HH12 ARG 28 HH12 ARG 28 1.960 -12.381 6.590
183 HH21 ARG 28 HH21 ARG 28 3.636 -13.067 3.588
184 HH22 ARG 28 HH22 ARG 28 2.912 -13.753 5.011
185 H VAL 29 HN VAL 29 0.465 -7.827 -0.307
186 HA VAL 29 HA VAL 29 1.822 -9.285 -2.425
187 HB VAL 29 HB VAL 29 -1.130 -8.736 -2.087
188 HG11 VAL 29 HG11 VAL 29 -1.432 -10.509 -3.742
189 HG12 VAL 29 HG12 VAL 29 0.317 -10.650 -3.915
190 HG13 VAL 29 HG13 VAL 29 -0.503 -9.169 -4.409
191 HG21 VAL 29 HG21 VAL 29 0.503 -11.181 -1.420
192 HG22 VAL 29 HG22 VAL 29 -1.259 -11.095 -1.388
193 HG23 VAL 29 HG23 VAL 29 -0.307 -10.112 -0.275
194 H PHE 30 HN PHE 30 -0.084 -6.311 -2.016
195 HA PHE 30 HA PHE 30 0.760 -5.522 -4.737
196 HB2 PHE 30 HB2 PHE 30 -1.764 -4.600 -3.344
197 HB3 PHE 30 HB1 PHE 30 -1.305 -4.301 -5.015
198 HD1 PHE 30 HD1 PHE 30 -1.030 -6.459 -6.502
199 HD2 PHE 30 HD2 PHE 30 -3.218 -6.290 -2.850
200 HE1 PHE 30 HE1 PHE 30 -2.316 -8.441 -7.178
201 HE2 PHE 30 HE2 PHE 30 -4.500 -8.274 -3.523
202 HZ PHE 30 HZ PHE 30 -4.050 -9.353 -5.690
203 H HIS 31 HN HIS 31 2.541 -4.895 -2.898
204 HA HIS 31 HA HIS 31 2.059 -2.703 -1.236
205 HB2 HIS 31 HB2 HIS 31 3.997 -4.189 -0.988
206 HB3 HIS 31 HB1 HIS 31 4.670 -3.568 -2.491
207 HD1 HIS 31 HD1 HIS 31 3.845 -2.350 1.027
208 HD2 HIS 31 HD2 HIS 31 6.267 -1.412 -2.213
209 HE1 HIS 31 HE1 HIS 31 5.410 -0.504 1.811
210 H GLU 32 HN GLU 32 3.412 -2.770 -4.525
211 HA GLU 32 HA GLU 32 4.059 0.003 -4.552
212 HB2 GLU 32 HB2 GLU 32 3.696 -1.948 -6.830
213 HB3 GLU 32 HB1 GLU 32 4.345 -0.325 -7.003
214 HG2 GLU 32 HG2 GLU 32 6.234 -0.898 -5.607
215 HG3 GLU 32 HG1 GLU 32 5.572 -2.510 -5.335
216 H ASP 33 HN ASP 33 1.375 -1.882 -5.805
217 HA ASP 33 HA ASP 33 0.085 0.332 -7.060
218 HB2 ASP 33 HB2 ASP 33 -0.172 -2.140 -7.659
219 HB3 ASP 33 HB1 ASP 33 -1.234 -2.262 -6.262
220 H CYS 34 HN CYS 34 0.151 -0.951 -3.869
221 HA CYS 34 HA CYS 34 -2.321 0.051 -2.913
222 HB2 CYS 34 HB2 CYS 34 -0.936 -1.680 -1.722
223 HB3 CYS 34 HB1 CYS 34 0.216 -0.410 -1.327
224 H HIS 35 HN HIS 35 0.704 1.566 -3.578
225 HA HIS 35 HA HIS 35 0.122 3.860 -1.892
226 HB2 HIS 35 HB2 HIS 35 2.400 3.286 -3.798
227 HB3 HIS 35 HB1 HIS 35 2.258 4.762 -2.845
228 HD1 HIS 35 HD1 HIS 35 2.682 4.521 -0.244
229 HD2 HIS 35 HD2 HIS 35 3.212 1.036 -2.433
230 HE1 HIS 35 HE1 HIS 35 3.915 2.910 1.269
231 H ILE 36 HN ILE 36 -1.002 2.835 -4.787
232 HA ILE 36 HA ILE 36 -1.281 5.557 -5.855
233 HB ILE 36 HB ILE 36 -0.715 3.117 -7.537
234 HG12 ILE 36 HG12 ILE 36 1.136 5.429 -6.909
235 HG13 ILE 36 HG11 ILE 36 1.243 3.836 -6.170
236 HG21 ILE 36 HG21 ILE 36 -2.062 4.782 -8.673
237 HG22 ILE 36 HG22 ILE 36 -0.439 4.741 -9.359
238 HG23 ILE 36 HG23 ILE 36 -0.898 6.039 -8.258
239 HD11 ILE 36 HD11 ILE 36 1.556 4.427 -9.105
240 HD12 ILE 36 HD12 ILE 36 1.707 2.845 -8.340
241 HD13 ILE 36 HD13 ILE 36 2.867 4.120 -7.966
242 HA PRO 37 HA PRO 37 -2.561 6.780 -5.871
243 HB2 PRO 37 HB2 PRO 37 -4.878 8.086 -5.722
244 HB3 PRO 37 HB1 PRO 37 -4.269 7.517 -7.289
245 HG2 PRO 37 HG2 PRO 37 -6.453 6.419 -5.591
246 HG3 PRO 37 HG1 PRO 37 -6.298 6.435 -7.356
247 HD2 PRO 37 HD2 PRO 37 -5.685 4.283 -5.603
248 HD3 PRO 37 HD1 PRO 37 -5.343 4.376 -7.341
249 HA PRO 38 HA PRO 38 -3.019 6.564 -1.453
250 HB2 PRO 38 HB2 PRO 38 -1.807 8.868 -0.775
251 HB3 PRO 38 HB1 PRO 38 -0.901 7.483 -1.398
252 HG2 PRO 38 HG2 PRO 38 -1.823 9.947 -2.832
253 HG3 PRO 38 HG1 PRO 38 -0.257 9.119 -2.934
254 HD2 PRO 38 HD2 PRO 38 -2.248 8.804 -4.788
255 HD3 PRO 38 HD1 PRO 38 -1.048 7.545 -4.424
256 H VAL 39 HN VAL 39 -4.648 7.085 -0.108
257 HA VAL 39 HA VAL 39 -6.592 9.065 -0.741
258 HB VAL 39 HB VAL 39 -6.144 7.676 1.905
259 HG11 VAL 39 HG11 VAL 39 -8.506 8.149 2.312
260 HG12 VAL 39 HG12 VAL 39 -8.595 9.012 0.777
261 HG13 VAL 39 HG13 VAL 39 -7.579 9.630 2.078
262 HG21 VAL 39 HG21 VAL 39 -6.433 5.998 0.209
263 HG22 VAL 39 HG22 VAL 39 -7.824 6.853 -0.454
264 HG23 VAL 39 HG23 VAL 39 -7.921 6.118 1.146
265 H GLU 40 HN GLU 40 -5.968 11.156 -0.723
266 HA GLU 40 HA GLU 40 -3.615 11.903 0.704
267 HB2 GLU 40 HB2 GLU 40 -4.058 12.716 -1.560
268 HB3 GLU 40 HB1 GLU 40 -5.474 13.582 -0.981
269 HG2 GLU 40 HG2 GLU 40 -4.088 15.015 0.378
270 HG3 GLU 40 HG1 GLU 40 -2.649 14.116 -0.094
271 H ALA 41 HN ALA 41 -7.040 12.828 1.012
272 HA ALA 41 HA ALA 41 -6.339 14.754 3.065
273 HB1 ALA 41 HB1 ALA 41 -9.042 14.056 1.935
274 HB2 ALA 41 HB2 ALA 41 -7.998 15.363 1.382
275 HB3 ALA 41 HB3 ALA 41 -8.677 15.406 3.007
276 H GLU 42 HN GLU 42 -8.553 11.972 2.843
277 HA GLU 42 HA GLU 42 -9.216 12.055 5.590
278 HB2 GLU 42 HB2 GLU 42 -9.572 9.900 3.509
279 HB3 GLU 42 HB1 GLU 42 -10.198 9.777 5.148
280 HG2 GLU 42 HG2 GLU 42 -10.901 11.974 3.217
281 HG3 GLU 42 HG1 GLU 42 -11.873 10.529 3.494
282 H ARG 43 HN ARG 43 -6.943 10.082 3.743
283 HA ARG 43 HA ARG 43 -5.372 8.547 4.363
284 HB2 ARG 43 HB2 ARG 43 -4.968 10.614 6.528
285 HB3 ARG 43 HB1 ARG 43 -3.816 9.351 6.114
286 HG2 ARG 43 HG2 ARG 43 -3.779 10.318 3.785
287 HG3 ARG 43 HG1 ARG 43 -4.679 11.689 4.437
288 HD2 ARG 43 HD2 ARG 43 -2.887 12.131 6.023
289 HD3 ARG 43 HD1 ARG 43 -2.000 10.727 5.430
290 HE ARG 43 HE ARG 43 -2.603 12.586 3.347
291 HH11 ARG 43 HH11 ARG 43 -0.404 11.963 5.998
292 HH12 ARG 43 HH12 ARG 43 0.910 12.840 5.284
293 HH21 ARG 43 HH21 ARG 43 -0.859 13.736 2.392
294 HH22 ARG 43 HH22 ARG 43 0.651 13.860 3.236
295 H THR 44 HN THR 44 -7.307 7.167 4.958
296 HA THR 44 HA THR 44 -7.463 6.659 7.837
297 HB THR 44 HB THR 44 -9.500 5.319 7.234
298 HG1 THR 44 HG1 THR 44 -8.776 5.101 4.956
299 HG21 THR 44 HG21 THR 44 -9.718 7.616 8.025
300 HG22 THR 44 HG22 THR 44 -10.914 7.291 6.770
301 HG23 THR 44 HG23 THR 44 -9.467 8.221 6.389
302 HA PRO 45 HA PRO 45 -4.817 3.133 6.834
303 HB2 PRO 45 HB2 PRO 45 -4.891 2.602 9.714
304 HB3 PRO 45 HB1 PRO 45 -3.513 3.007 8.686
305 HG2 PRO 45 HG2 PRO 45 -4.516 4.728 10.517
306 HG3 PRO 45 HG1 PRO 45 -3.767 5.266 9.003
307 HD2 PRO 45 HD2 PRO 45 -6.668 5.058 9.715
308 HD3 PRO 45 HD1 PRO 45 -5.820 6.310 8.780
309 H TRP 46 HN TRP 46 -7.814 3.172 8.540
310 HA TRP 46 HA TRP 46 -8.053 0.262 8.425
311 HB2 TRP 46 HB2 TRP 46 -10.242 0.709 9.641
312 HB3 TRP 46 HB1 TRP 46 -8.775 1.119 10.522
313 HD1 TRP 46 HD1 TRP 46 -11.743 2.768 8.723
314 HE1 TRP 46 HE1 TRP 46 -11.965 5.189 9.556
315 HE3 TRP 46 HE3 TRP 46 -7.497 3.040 11.558
316 HZ2 TRP 46 HZ2 TRP 46 -10.530 6.978 11.194
317 HZ3 TRP 46 HZ3 TRP 46 -6.995 5.148 12.725
318 HH2 TRP 46 HH2 TRP 46 -8.477 7.073 12.544
319 H ASN 47 HN ASN 47 -7.915 1.429 5.968
320 HA ASN 47 HA ASN 47 -10.521 0.761 4.876
321 HB2 ASN 47 HB2 ASN 47 -10.685 3.192 5.168
322 HB3 ASN 47 HB1 ASN 47 -9.171 3.412 4.300
323 HD21 ASN 47 HD21 ASN 47 -10.193 4.739 2.789
324 HD22 ASN 47 HD22 ASN 47 -11.223 4.096 1.562
325 H CYS 48 HN CYS 48 -9.524 -1.043 4.016
326 HA CYS 48 HA CYS 48 -7.158 -0.802 2.386
327 HB2 CYS 48 HB2 CYS 48 -7.544 -2.841 3.681
328 HB3 CYS 48 HB1 CYS 48 -9.070 -3.105 2.850
329 H ILE 49 HN ILE 49 -7.168 -0.189 0.343
330 HA ILE 49 HA ILE 49 -9.604 0.270 -1.033
331 HB ILE 49 HB ILE 49 -8.050 0.806 -2.996
332 HG12 ILE 49 HG12 ILE 49 -5.979 0.617 -0.799
333 HG13 ILE 49 HG11 ILE 49 -6.096 -0.476 -2.175
334 HG21 ILE 49 HG21 ILE 49 -7.896 2.314 -0.390
335 HG22 ILE 49 HG22 ILE 49 -9.079 2.529 -1.682
336 HG23 ILE 49 HG23 ILE 49 -7.390 2.962 -1.949
337 HD11 ILE 49 HD11 ILE 49 -5.528 2.479 -2.294
338 HD12 ILE 49 HD12 ILE 49 -5.640 1.395 -3.682
339 HD13 ILE 49 HD13 ILE 49 -4.351 1.181 -2.497
340 H PHE 50 HN PHE 50 -7.285 -2.349 -1.091
341 HA PHE 50 HA PHE 50 -8.238 -3.391 -3.594
342 HB2 PHE 50 HB2 PHE 50 -6.404 -4.550 -1.496
343 HB3 PHE 50 HB1 PHE 50 -6.869 -5.427 -2.955
344 HD1 PHE 50 HD1 PHE 50 -6.197 -4.579 -5.174
345 HD2 PHE 50 HD2 PHE 50 -4.847 -2.770 -1.570
346 HE1 PHE 50 HE1 PHE 50 -4.434 -3.411 -6.420
347 HE2 PHE 50 HE2 PHE 50 -3.085 -1.611 -2.807
348 HZ PHE 50 HZ PHE 50 -2.877 -1.920 -5.237
349 H CYS 51 HN CYS 51 -8.895 -4.047 -0.192
350 HA CYS 51 HA CYS 51 -10.434 -6.381 -0.705
351 HB2 CYS 51 HB2 CYS 51 -10.138 -4.565 1.663
352 HB3 CYS 51 HB1 CYS 51 -11.451 -5.737 1.631
353 H ARG 52 HN ARG 52 -11.410 -2.999 -0.039
354 HA ARG 52 HA ARG 52 -14.123 -3.447 -0.634
355 HB2 ARG 52 HB2 ARG 52 -14.376 -1.045 -0.678
356 HB3 ARG 52 HB1 ARG 52 -13.318 -1.498 0.648
357 HG2 ARG 52 HG2 ARG 52 -11.371 -0.894 -0.759
358 HG3 ARG 52 HG1 ARG 52 -12.491 -0.340 -2.006
359 HD2 ARG 52 HD2 ARG 52 -12.372 0.719 0.816
360 HD3 ARG 52 HD1 ARG 52 -11.636 1.495 -0.585
361 HE ARG 52 HE ARG 52 -14.127 1.370 -1.419
362 HH11 ARG 52 HH11 ARG 52 -12.939 2.196 1.771
363 HH12 ARG 52 HH12 ARG 52 -14.275 3.243 2.133
364 HH21 ARG 52 HH21 ARG 52 -15.870 2.769 -0.952
365 HH22 ARG 52 HH22 ARG 52 -15.937 3.579 0.582
366 H MET 53 HN MET 53 -11.423 -3.194 -2.678
367 HA MET 53 HA MET 53 -12.727 -2.188 -5.007
368 HB2 MET 53 HB2 MET 53 -10.298 -2.065 -4.771
369 HB3 MET 53 HB1 MET 53 -10.196 -3.818 -4.717
370 HG2 MET 53 HG2 MET 53 -11.068 -3.899 -7.022
371 HG3 MET 53 HG1 MET 53 -11.053 -2.138 -7.061
372 HE1 MET 53 HE1 MET 53 -8.353 -1.543 -5.371
373 HE2 MET 53 HE2 MET 53 -8.844 -0.681 -6.828
374 HE3 MET 53 HE3 MET 53 -7.221 -1.360 -6.710
375 H LYS 54 HN LYS 54 -12.219 -5.362 -3.632
376 HA LYS 54 HA LYS 54 -14.153 -6.449 -5.506
377 HB2 LYS 54 HB2 LYS 54 -11.896 -6.843 -6.508
378 HB3 LYS 54 HB1 LYS 54 -11.462 -7.760 -5.072
379 HG2 LYS 54 HG2 LYS 54 -12.078 -9.272 -6.838
380 HG3 LYS 54 HG1 LYS 54 -13.296 -9.338 -5.561
381 HD2 LYS 54 HD2 LYS 54 -14.684 -7.760 -6.882
382 HD3 LYS 54 HD1 LYS 54 -13.497 -7.860 -8.182
383 HE2 LYS 54 HE2 LYS 54 -13.897 -10.281 -8.331
384 HE3 LYS 54 HE1 LYS 54 -15.107 -10.147 -7.054
385 HZ1 LYS 54 HZ1 LYS 54 -16.170 -10.161 -9.194
386 HZ2 LYS 54 HZ2 LYS 54 -15.232 -8.862 -9.726
387 HZ3 LYS 54 HZ3 LYS 54 -16.363 -8.635 -8.492
388 H GLU 55 HN GLU 55 -15.537 -6.609 -3.749
389 HA GLU 55 HA GLU 55 -14.929 -8.820 -1.933
390 HB2 GLU 55 HB2 GLU 55 -14.461 -6.787 -0.661
391 HB3 GLU 55 HB1 GLU 55 -16.053 -6.155 -1.056
392 HG2 GLU 55 HG2 GLU 55 -17.081 -8.009 0.182
393 HG3 GLU 55 HG1 GLU 55 -15.475 -8.601 0.604
394 H SER 56 HN SER 56 -16.382 -10.273 -2.543
395 HA SER 56 HA SER 56 -19.185 -9.581 -2.299
396 HB2 SER 56 HB2 SER 56 -19.660 -10.859 -4.463
397 HB3 SER 56 HB1 SER 56 -18.979 -9.242 -4.632
398 HG SER 56 HG SER 56 -16.895 -10.308 -4.813