Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
582074 | 2ru0 RC | 11537 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 2HA GLY 1 3.125 0.088 -1.027
3 HA3 GLY 1 3HA GLY 1 1.897 -0.935 -1.758
4 H PHE 2 H PHE 2 2.526 2.472 -0.944
5 HA PHE 2 HA PHE 2 1.062 3.221 -3.388
6 HB2 PHE 2 2HB PHE 2 1.498 4.762 -0.825
7 HB3 PHE 2 3HB PHE 2 0.805 5.466 -2.283
8 HD1 PHE 2 HD2 PHE 2 0.264 3.131 0.482
9 HD2 PHE 2 HD1 PHE 2 -1.430 4.925 -2.986
10 HE1 PHE 2 HE2 PHE 2 -1.966 2.354 1.173
11 HE2 PHE 2 HE1 PHE 2 -3.663 4.151 -2.300
12 HZ PHE 2 HZ PHE 2 -3.933 2.863 -0.218
13 H GLY 3 H GLY 3 3.638 2.396 -3.730
14 HA2 GLY 3 2HA GLY 3 4.835 4.353 -5.216
15 HA3 GLY 3 3HA GLY 3 5.492 4.585 -3.602
16 H CYS 4 H CYS 4 6.673 3.660 -6.221
17 HA CYS 4 HA CYS 4 8.561 1.877 -5.207
18 HB2 CYS 4 2HB CYS 4 6.115 0.601 -5.992
19 HB3 CYS 4 3HB CYS 4 7.400 0.105 -7.089
20 HA PRO 5 HA PRO 5 9.041 2.052 -10.006
21 HB2 PRO 5 2HB PRO 5 7.014 3.158 -11.432
22 HB3 PRO 5 3HB PRO 5 7.085 1.436 -11.040
23 HG2 PRO 5 2HG PRO 5 5.536 3.621 -9.702
24 HG3 PRO 5 3HG PRO 5 5.019 1.977 -10.119
25 HD2 PRO 5 2HD PRO 5 5.772 2.676 -7.614
26 HD3 PRO 5 3HD PRO 5 6.046 1.051 -8.275
27 H TRP 6 H TRP 6 6.996 4.739 -8.867
28 HA TRP 6 HA TRP 6 9.106 6.595 -9.755
29 HB2 TRP 6 2HB TRP 6 6.912 8.186 -9.705
30 HB3 TRP 6 3HB TRP 6 7.485 7.352 -11.147
31 HD1 TRP 6 HD1 TRP 6 5.969 5.459 -12.143
32 HE1 TRP 6 HE1 TRP 6 3.603 4.606 -11.593
33 HE3 TRP 6 HE3 TRP 6 5.283 7.809 -7.654
34 HZ2 TRP 6 HZ2 TRP 6 1.698 4.893 -9.529
35 HZ3 TRP 6 HZ3 TRP 6 3.161 7.468 -6.457
36 HH2 TRP 6 HH2 TRP 6 1.407 6.040 -7.377
37 H ASN 7 H ASN 7 6.695 5.814 -7.325
38 HA ASN 7 HA ASN 7 7.545 8.018 -5.625
39 HB2 ASN 7 2HB ASN 7 5.231 6.231 -5.767
40 HB3 ASN 7 3HB ASN 7 5.810 6.486 -4.123
41 HD21 ASN 7 1HD2 ASN 7 3.795 7.558 -3.755
42 HD22 ASN 7 2HD2 ASN 7 3.590 9.204 -4.238
43 H ALA 8 H ALA 8 9.729 7.272 -5.332
44 HA ALA 8 HA ALA 8 10.176 4.780 -3.935
45 HB1 ALA 8 1HB ALA 8 12.231 6.926 -4.350
46 HB2 ALA 8 2HB ALA 8 12.464 5.184 -4.199
47 HB3 ALA 8 3HB ALA 8 11.734 5.853 -5.659
48 H TYR 9 H TYR 9 9.835 8.156 -3.160
49 HA TYR 9 HA TYR 9 11.067 8.212 -0.648
50 HB2 TYR 9 2HB TYR 9 9.360 9.931 -2.202
51 HB3 TYR 9 3HB TYR 9 8.829 9.926 -0.524
52 HD1 TYR 9 HD2 TYR 9 12.220 9.769 -2.091
53 HD2 TYR 9 HD1 TYR 9 9.571 11.857 0.504
54 HE1 TYR 9 HE2 TYR 9 14.024 11.340 -1.522
55 HE2 TYR 9 HE1 TYR 9 11.368 13.434 1.079
56 HH TYR 9 HH TYR 9 14.636 12.882 0.240
57 H GLU 10 H GLU 10 7.987 6.959 -1.672
58 HA GLU 10 HA GLU 10 6.779 6.826 0.899
59 HB2 GLU 10 2HB GLU 10 5.857 6.511 -1.628
60 HB3 GLU 10 3HB GLU 10 5.977 4.830 -1.127
61 HG2 GLU 10 2HG GLU 10 3.758 5.673 -0.705
62 HG3 GLU 10 3HG GLU 10 4.572 5.314 0.817
63 H CYS 11 H CYS 11 8.077 4.223 -1.171
64 HA CYS 11 HA CYS 11 8.034 2.257 0.845
65 HB2 CYS 11 2HB CYS 11 8.276 2.041 -1.751
66 HB3 CYS 11 3HB CYS 11 10.000 2.166 -1.419
67 H ASP 12 H ASP 12 10.375 4.688 -0.023
68 HA ASP 12 HA ASP 12 12.565 3.562 1.415
69 HB2 ASP 12 2HB ASP 12 13.075 5.107 -0.334
70 HB3 ASP 12 3HB ASP 12 12.022 6.338 0.360
71 H ARG 13 H ARG 13 10.634 6.488 2.091
72 HA ARG 13 HA ARG 13 11.541 6.867 4.698
73 HB2 ARG 13 2HB ARG 13 8.907 7.625 3.427
74 HB3 ARG 13 3HB ARG 13 9.432 8.192 5.006
75 HG2 ARG 13 2HG ARG 13 11.507 8.689 3.119
76 HG3 ARG 13 3HG ARG 13 9.983 9.303 2.476
77 HD2 ARG 13 2HD ARG 13 10.696 9.868 5.316
78 HD3 ARG 13 3HD ARG 13 11.487 10.787 4.035
79 HE ARG 13 HE ARG 13 8.766 10.863 3.516
80 HH11 ARG 13 1HH1 ARG 13 10.946 11.913 6.019
81 HH12 ARG 13 2HH1 ARG 13 9.969 13.266 6.483
82 HH21 ARG 13 1HH2 ARG 13 7.470 12.641 4.119
83 HH22 ARG 13 2HH2 ARG 13 7.991 13.678 5.402
84 H HIS 14 H HIS 14 9.264 4.607 3.430
85 HA HIS 14 HA HIS 14 7.698 4.074 5.677
86 HB2 HIS 14 2HB HIS 14 7.121 3.151 3.519
87 HB3 HIS 14 3HB HIS 14 8.618 2.226 3.468
88 HD1 HIS 14 HD1 HIS 14 5.205 2.236 4.977
89 HD2 HIS 14 HD2 HIS 14 8.624 -0.125 5.000
90 HE1 HIS 14 HE1 HIS 14 4.512 0.059 6.030
91 H CYS 15 H CYS 15 10.837 2.751 4.709
92 HA CYS 15 HA CYS 15 10.985 1.161 7.144
93 HB2 CYS 15 2HB CYS 15 12.970 1.459 4.879
94 HB3 CYS 15 3HB CYS 15 13.088 0.305 6.203
95 H VAL 16 H VAL 16 12.431 4.019 5.702
96 HA VAL 16 HA VAL 16 14.598 4.444 7.353
97 HB VAL 16 HB VAL 16 12.712 6.547 6.280
98 HG11 VAL 16 1HG1 VAL 16 14.712 8.023 6.429
99 HG12 VAL 16 2HG1 VAL 16 14.090 7.501 7.996
100 HG13 VAL 16 3HG1 VAL 16 15.533 6.744 7.323
101 HG21 VAL 16 3HG2 VAL 16 15.149 6.381 4.834
102 HG22 VAL 16 1HG2 VAL 16 14.473 4.756 4.952
103 HG23 VAL 16 2HG2 VAL 16 13.510 6.065 4.264
104 H SER 17 H SER 17 11.202 4.843 8.043
105 HA SER 17 HA SER 17 11.564 6.374 10.433
106 HB2 SER 17 2HB SER 17 9.462 6.420 9.114
107 HB3 SER 17 3HB SER 17 9.168 4.739 9.560
108 HG SER 17 HG SER 17 8.186 5.615 11.204
109 H LYS 18 H LYS 18 11.238 2.962 9.663
110 HA LYS 18 HA LYS 18 10.961 2.076 12.357
111 HB2 LYS 18 2HB LYS 18 11.514 0.761 9.729
112 HB3 LYS 18 3HB LYS 18 11.797 -0.146 11.209
113 HG2 LYS 18 2HG LYS 18 9.653 -0.745 10.954
114 HG3 LYS 18 3HG LYS 18 9.324 0.823 11.694
115 HD2 LYS 18 2HD LYS 18 8.329 1.546 9.840
116 HD3 LYS 18 3HD LYS 18 9.743 1.132 8.868
117 HE2 LYS 18 2HE LYS 18 8.264 -0.277 7.887
118 HE3 LYS 18 3HE LYS 18 8.742 -1.320 9.226
119 HZ1 LYS 18 3HZ LYS 18 6.381 -1.308 9.099
120 HZ2 LYS 18 1HZ LYS 18 6.318 0.382 9.061
121 HZ3 LYS 18 2HZ LYS 18 6.810 -0.414 10.469
122 H GLY 19 H GLY 19 13.685 2.584 10.187
123 HA2 GLY 19 2HA GLY 19 15.668 3.265 11.750
124 HA3 GLY 19 3HA GLY 19 15.535 1.579 12.229
125 H TYR 20 H TYR 20 14.911 0.518 9.664
126 HA TYR 20 HA TYR 20 17.422 -0.059 8.672
127 HB2 TYR 20 2HB TYR 20 14.847 -0.057 7.086
128 HB3 TYR 20 3HB TYR 20 16.302 -0.975 6.714
129 HD1 TYR 20 HD2 TYR 20 17.093 -2.640 8.569
130 HD2 TYR 20 HD1 TYR 20 13.150 -1.063 8.305
131 HE1 TYR 20 HE2 TYR 20 16.257 -4.519 9.919
132 HE2 TYR 20 HE1 TYR 20 12.304 -2.936 9.655
133 HH TYR 20 HH TYR 20 12.856 -4.710 10.895
134 H THR 21 H THR 21 18.340 0.457 6.536
135 HA THR 21 HA THR 21 18.857 3.169 6.229
136 HB THR 21 HB THR 21 20.277 1.331 5.318
137 HG1 THR 21 HG1 THR 21 19.636 3.039 3.169
138 HG21 THR 21 3HG2 THR 21 19.752 0.309 3.210
139 HG22 THR 21 1HG2 THR 21 18.294 1.286 3.043
140 HG23 THR 21 2HG2 THR 21 18.389 0.050 4.298
141 H GLY 22 H GLY 22 16.333 1.186 4.839
142 HA2 GLY 22 2HA GLY 22 14.376 2.849 4.356
143 HA3 GLY 22 3HA GLY 22 15.482 3.390 3.101
144 H GLY 23 H GLY 23 12.816 2.222 2.832
145 HA2 GLY 23 2HA GLY 23 13.306 -0.428 1.722
146 HA3 GLY 23 3HA GLY 23 11.747 0.369 1.869
147 H ASN 24 H ASN 24 13.994 -0.677 -0.289
148 HA ASN 24 HA ASN 24 13.134 1.286 -2.313
149 HB2 ASN 24 2HB ASN 24 15.636 -0.324 -2.653
150 HB3 ASN 24 3HB ASN 24 15.223 1.252 -3.323
151 HD21 ASN 24 1HD2 ASN 24 14.494 2.666 -1.135
152 HD22 ASN 24 2HD2 ASN 24 15.833 2.830 -0.055
153 H CYS 25 H CYS 25 12.642 0.510 -4.393
154 HA CYS 25 HA CYS 25 11.895 -2.330 -4.435
155 HB2 CYS 25 2HB CYS 25 10.909 -0.021 -6.123
156 HB3 CYS 25 3HB CYS 25 10.357 -1.687 -6.267
157 H ARG 26 H ARG 26 12.342 -3.628 -6.245
158 HA ARG 26 HA ARG 26 14.054 -2.578 -8.341
159 HB2 ARG 26 2HB ARG 26 14.975 -4.689 -6.388
160 HB3 ARG 26 3HB ARG 26 15.744 -4.409 -7.945
161 HG2 ARG 26 2HG ARG 26 15.459 -2.322 -5.795
162 HG3 ARG 26 3HG ARG 26 16.893 -3.322 -6.038
163 HD2 ARG 26 2HD ARG 26 16.666 -2.405 -8.509
164 HD3 ARG 26 3HD ARG 26 15.819 -1.094 -7.689
165 HE ARG 26 HE ARG 26 18.639 -1.658 -7.609
166 HH11 ARG 26 1HH1 ARG 26 15.970 -0.129 -5.979
167 HH12 ARG 26 2HH1 ARG 26 16.970 0.990 -5.114
168 HH21 ARG 26 1HH2 ARG 26 19.966 -0.190 -6.476
169 HH22 ARG 26 2HH2 ARG 26 19.243 0.955 -5.398
170 H GLY 27 H GLY 27 14.765 -4.594 -9.772
171 HA2 GLY 27 2HA GLY 27 12.256 -5.943 -10.425
172 HA3 GLY 27 3HA GLY 27 13.675 -5.831 -11.456
173 H LYS 28 H LYS 28 13.574 -6.895 -8.090
174 HA LYS 28 HA LYS 28 15.242 -9.071 -8.402
175 HB2 LYS 28 2HB LYS 28 14.075 -9.956 -6.305
176 HB3 LYS 28 3HB LYS 28 14.822 -8.368 -6.198
177 HG2 LYS 28 2HG LYS 28 12.018 -8.308 -7.022
178 HG3 LYS 28 3HG LYS 28 12.288 -8.973 -5.409
179 HD2 LYS 28 2HD LYS 28 13.740 -6.485 -6.107
180 HD3 LYS 28 3HD LYS 28 11.996 -6.357 -5.864
181 HE2 LYS 28 2HE LYS 28 12.561 -6.114 -3.701
182 HE3 LYS 28 3HE LYS 28 12.695 -7.871 -3.733
183 HZ1 LYS 28 3HZ LYS 28 14.709 -7.312 -2.861
184 HZ2 LYS 28 1HZ LYS 28 14.811 -5.846 -3.699
185 HZ3 LYS 28 2HZ LYS 28 15.116 -7.303 -4.503
186 H ILE 29 H ILE 29 11.826 -8.808 -9.048
187 HA ILE 29 HA ILE 29 11.877 -11.368 -10.402
188 HB ILE 29 HB ILE 29 9.714 -12.058 -9.233
189 HG12 ILE 29 2HG1 ILE 29 10.772 -10.091 -7.192
190 HG13 ILE 29 3HG1 ILE 29 9.266 -9.942 -8.091
191 HG21 ILE 29 1HG2 ILE 29 12.055 -12.137 -7.371
192 HG22 ILE 29 2HG2 ILE 29 10.878 -13.396 -7.738
193 HG23 ILE 29 3HG2 ILE 29 12.112 -12.971 -8.924
194 HD11 ILE 29 3HD1 ILE 29 9.946 -11.700 -5.801
195 HD12 ILE 29 1HD1 ILE 29 8.491 -10.754 -6.112
196 HD13 ILE 29 2HD1 ILE 29 8.762 -12.267 -6.978
197 H ARG 30 H ARG 30 9.983 -8.564 -9.371
198 HA ARG 30 HA ARG 30 9.154 -7.905 -11.969
199 HB2 ARG 30 2HB ARG 30 6.687 -8.395 -11.654
200 HB3 ARG 30 3HB ARG 30 7.714 -9.786 -11.976
201 HG2 ARG 30 2HG ARG 30 7.522 -10.594 -9.819
202 HG3 ARG 30 3HG ARG 30 7.065 -9.021 -9.163
203 HD2 ARG 30 2HD ARG 30 4.889 -9.166 -10.081
204 HD3 ARG 30 3HD ARG 30 5.332 -10.539 -11.094
205 HE ARG 30 HE ARG 30 4.911 -11.921 -9.325
206 HH11 ARG 30 1HH1 ARG 30 5.306 -8.670 -8.145
207 HH12 ARG 30 2HH1 ARG 30 4.846 -9.064 -6.521
208 HH21 ARG 30 1HH2 ARG 30 4.304 -12.453 -7.192
209 HH22 ARG 30 2HH2 ARG 30 4.278 -11.217 -5.980
210 H GLN 31 H GLN 31 10.227 -6.259 -10.294
211 HA GLN 31 HA GLN 31 10.013 -4.237 -9.275
212 HB2 GLN 31 2HB GLN 31 7.092 -4.325 -10.018
213 HB3 GLN 31 3HB GLN 31 8.090 -2.905 -9.737
214 HG2 GLN 31 2HG GLN 31 8.361 -2.802 -11.932
215 HG3 GLN 31 3HG GLN 31 9.387 -4.228 -11.785
216 HE21 GLN 31 1HE2 GLN 31 5.887 -3.650 -11.646
217 HE22 GLN 31 2HE2 GLN 31 5.471 -4.839 -12.828
218 H THR 32 H THR 32 10.380 -5.446 -7.284
219 HA THR 32 HA THR 32 8.015 -5.380 -5.526
220 HB THR 32 HB THR 32 10.332 -7.304 -5.267
221 HG1 THR 32 HG1 THR 32 9.203 -8.066 -6.976
222 HG21 THR 32 3HG2 THR 32 7.835 -6.796 -3.707
223 HG22 THR 32 1HG2 THR 32 9.469 -7.127 -3.132
224 HG23 THR 32 2HG2 THR 32 8.485 -8.433 -3.793
225 H CYS 33 H CYS 33 8.341 -4.711 -3.380
226 HA CYS 33 HA CYS 33 10.551 -2.866 -3.059
227 HB2 CYS 33 2HB CYS 33 7.888 -3.027 -2.106
228 HB3 CYS 33 3HB CYS 33 8.940 -3.091 -0.696
229 H HIS 34 H HIS 34 11.951 -2.851 -1.220
230 HA HIS 34 HA HIS 34 12.091 -5.139 0.512
231 HB2 HIS 34 2HB HIS 34 13.153 -5.905 -1.663
232 HB3 HIS 34 3HB HIS 34 14.417 -4.714 -1.366
233 HD1 HIS 34 HD1 HIS 34 16.303 -6.362 -0.990
234 HD2 HIS 34 HD2 HIS 34 13.038 -7.029 1.490
235 HE1 HIS 34 HE1 HIS 34 17.078 -8.055 0.701
236 H CYS 35 H CYS 35 13.040 -4.607 2.392
237 HA CYS 35 HA CYS 35 14.274 -1.956 2.569
238 HB2 CYS 35 2HB CYS 35 13.023 -3.780 4.618
239 HB3 CYS 35 3HB CYS 35 13.964 -2.364 5.076
240 H TYR 36 H TYR 36 16.360 -1.663 3.080
241 HA TYR 36 HA TYR 36 17.954 -4.064 3.687
242 HB2 TYR 36 2HB TYR 36 19.003 -1.494 2.505
243 HB3 TYR 36 3HB TYR 36 19.804 -3.059 2.569
244 HD1 TYR 36 HD2 TYR 36 17.121 -1.129 0.935
245 HD2 TYR 36 HD1 TYR 36 19.383 -4.732 0.917
246 HE1 TYR 36 HE2 TYR 36 16.239 -1.664 -1.297
247 HE2 TYR 36 HE1 TYR 36 18.509 -5.277 -1.316
248 HH TYR 36 HH TYR 36 17.535 -3.725 -3.339
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.121 -0.827 -6.588
2 HA2 GLY 1 2HA GLY 1 0.557 -0.286 -4.024
3 HA3 GLY 1 3HA GLY 1 2.216 -0.328 -4.602
4 H PHE 2 H PHE 2 1.350 1.237 -2.432
5 HA PHE 2 HA PHE 2 0.676 3.862 -2.950
6 HB2 PHE 2 2HB PHE 2 2.059 4.371 -0.853
7 HB3 PHE 2 3HB PHE 2 0.747 3.209 -0.686
8 HD1 PHE 2 HD1 PHE 2 4.410 3.538 -1.051
9 HD2 PHE 2 HD2 PHE 2 1.160 0.999 0.000
10 HE1 PHE 2 HE1 PHE 2 5.996 1.888 -0.149
11 HE2 PHE 2 HE2 PHE 2 2.740 -0.655 0.904
12 HZ PHE 2 HZ PHE 2 5.162 -0.212 0.831
13 H GLY 3 H GLY 3 3.725 2.235 -3.427
14 HA2 GLY 3 2HA GLY 3 4.713 4.169 -5.203
15 HA3 GLY 3 3HA GLY 3 5.412 4.478 -3.620
16 H CYS 4 H CYS 4 6.591 3.542 -6.208
17 HA CYS 4 HA CYS 4 8.532 1.821 -5.188
18 HB2 CYS 4 2HB CYS 4 6.114 0.478 -6.007
19 HB3 CYS 4 3HB CYS 4 7.459 -0.019 -7.028
20 HA PRO 5 HA PRO 5 8.987 1.968 -9.989
21 HB2 PRO 5 2HB PRO 5 6.923 3.004 -11.416
22 HB3 PRO 5 3HB PRO 5 7.044 1.288 -11.010
23 HG2 PRO 5 2HG PRO 5 5.440 3.440 -9.684
24 HG3 PRO 5 3HG PRO 5 4.968 1.778 -10.084
25 HD2 PRO 5 2HD PRO 5 5.711 2.520 -7.589
26 HD3 PRO 5 3HD PRO 5 6.028 0.898 -8.237
27 H TRP 6 H TRP 6 6.882 4.605 -8.844
28 HA TRP 6 HA TRP 6 8.933 6.513 -9.759
29 HB2 TRP 6 2HB TRP 6 6.693 8.040 -9.724
30 HB3 TRP 6 3HB TRP 6 7.296 7.215 -11.159
31 HD1 TRP 6 HD1 TRP 6 5.842 5.267 -12.145
32 HE1 TRP 6 HE1 TRP 6 3.501 4.349 -11.598
33 HE3 TRP 6 HE3 TRP 6 5.066 7.631 -7.679
34 HZ2 TRP 6 HZ2 TRP 6 1.579 4.594 -9.546
35 HZ3 TRP 6 HZ3 TRP 6 2.950 7.236 -6.488
36 HH2 TRP 6 HH2 TRP 6 1.243 5.749 -7.404
37 H ASN 7 H ASN 7 6.530 5.696 -7.329
38 HA ASN 7 HA ASN 7 7.326 7.932 -5.645
39 HB2 ASN 7 2HB ASN 7 5.055 6.081 -5.771
40 HB3 ASN 7 3HB ASN 7 5.617 6.394 -4.131
41 HD21 ASN 7 1HD2 ASN 7 3.552 7.409 -3.828
42 HD22 ASN 7 2HD2 ASN 7 3.313 9.040 -4.345
43 H ALA 8 H ALA 8 9.529 7.216 -5.357
44 HA ALA 8 HA ALA 8 10.000 4.759 -3.902
45 HB1 ALA 8 1HB ALA 8 11.812 5.045 -5.218
46 HB2 ALA 8 2HB ALA 8 11.665 6.803 -5.227
47 HB3 ALA 8 3HB ALA 8 12.388 5.987 -3.841
48 H TYR 9 H TYR 9 9.525 8.110 -3.204
49 HA TYR 9 HA TYR 9 10.828 8.263 -0.712
50 HB2 TYR 9 2HB TYR 9 9.297 9.980 -2.332
51 HB3 TYR 9 3HB TYR 9 8.464 9.916 -0.783
52 HD1 TYR 9 HD1 TYR 9 12.026 10.081 -1.929
53 HD2 TYR 9 HD2 TYR 9 9.014 11.629 0.647
54 HE1 TYR 9 HE1 TYR 9 13.650 11.676 -0.998
55 HE2 TYR 9 HE2 TYR 9 10.629 13.229 1.584
56 HH TYR 9 HH TYR 9 12.742 13.913 1.607
57 H GLU 10 H GLU 10 7.602 7.210 -1.645
58 HA GLU 10 HA GLU 10 6.526 7.038 0.965
59 HB2 GLU 10 2HB GLU 10 5.292 7.007 -1.290
60 HB3 GLU 10 3HB GLU 10 5.685 5.294 -1.340
61 HG2 GLU 10 2HG GLU 10 3.419 5.786 -0.475
62 HG3 GLU 10 3HG GLU 10 4.430 4.873 0.644
63 H CYS 11 H CYS 11 7.881 4.543 -1.187
64 HA CYS 11 HA CYS 11 7.707 2.453 0.717
65 HB2 CYS 11 2HB CYS 11 8.069 2.421 -1.902
66 HB3 CYS 11 3HB CYS 11 9.769 2.403 -1.446
67 H ASP 12 H ASP 12 10.136 4.861 -0.002
68 HA ASP 12 HA ASP 12 12.228 3.633 1.507
69 HB2 ASP 12 2HB ASP 12 12.829 5.174 -0.239
70 HB3 ASP 12 3HB ASP 12 11.855 6.452 0.485
71 H ARG 13 H ARG 13 10.339 6.602 2.114
72 HA ARG 13 HA ARG 13 11.165 7.062 4.707
73 HB2 ARG 13 2HB ARG 13 8.592 7.670 3.276
74 HB3 ARG 13 3HB ARG 13 8.819 8.124 4.960
75 HG2 ARG 13 2HG ARG 13 10.964 8.916 3.097
76 HG3 ARG 13 3HG ARG 13 9.409 9.728 2.901
77 HD2 ARG 13 2HD ARG 13 9.525 10.075 5.455
78 HD3 ARG 13 3HD ARG 13 11.238 9.695 5.276
79 HE ARG 13 HE ARG 13 10.435 11.702 3.434
80 HH11 ARG 13 1HH1 ARG 13 11.216 11.170 6.785
81 HH12 ARG 13 2HH1 ARG 13 11.735 12.801 7.057
82 HH21 ARG 13 1HH2 ARG 13 11.116 13.851 3.780
83 HH22 ARG 13 2HH2 ARG 13 11.677 14.325 5.348
84 H HIS 14 H HIS 14 8.864 4.737 3.507
85 HA HIS 14 HA HIS 14 7.464 4.136 5.839
86 HB2 HIS 14 2HB HIS 14 6.753 3.232 3.720
87 HB3 HIS 14 3HB HIS 14 8.267 2.351 3.535
88 HD1 HIS 14 HD1 HIS 14 4.965 2.214 5.257
89 HD2 HIS 14 HD2 HIS 14 8.463 -0.018 5.043
90 HE1 HIS 14 HE1 HIS 14 4.415 0.000 6.314
91 H CYS 15 H CYS 15 10.574 2.923 4.672
92 HA CYS 15 HA CYS 15 10.894 1.265 7.044
93 HB2 CYS 15 2HB CYS 15 11.781 1.046 4.417
94 HB3 CYS 15 3HB CYS 15 13.229 1.480 5.319
95 H VAL 16 H VAL 16 12.022 4.284 5.715
96 HA VAL 16 HA VAL 16 14.314 4.719 7.226
97 HB VAL 16 HB VAL 16 12.270 6.763 6.346
98 HG11 VAL 16 1HG1 VAL 16 13.494 8.067 7.730
99 HG12 VAL 16 2HG1 VAL 16 14.886 6.982 7.698
100 HG13 VAL 16 3HG1 VAL 16 14.601 8.093 6.358
101 HG21 VAL 16 3HG2 VAL 16 14.171 5.167 4.894
102 HG22 VAL 16 1HG2 VAL 16 12.966 6.302 4.286
103 HG23 VAL 16 2HG2 VAL 16 14.567 6.879 4.749
104 H SER 17 H SER 17 10.984 4.766 8.169
105 HA SER 17 HA SER 17 11.437 6.235 10.612
106 HB2 SER 17 2HB SER 17 9.274 6.503 9.643
107 HB3 SER 17 3HB SER 17 9.046 4.760 9.501
108 HG SER 17 HG SER 17 7.960 5.826 11.315
109 H LYS 18 H LYS 18 11.023 2.875 9.639
110 HA LYS 18 HA LYS 18 10.783 1.705 12.162
111 HB2 LYS 18 2HB LYS 18 11.640 0.780 9.471
112 HB3 LYS 18 3HB LYS 18 12.075 -0.236 10.839
113 HG2 LYS 18 2HG LYS 18 10.062 -1.145 10.284
114 HG3 LYS 18 3HG LYS 18 9.539 0.067 11.456
115 HD2 LYS 18 2HD LYS 18 8.526 1.342 9.882
116 HD3 LYS 18 3HD LYS 18 9.734 0.969 8.650
117 HE2 LYS 18 2HE LYS 18 8.122 -0.295 7.739
118 HE3 LYS 18 3HE LYS 18 8.530 -1.452 9.004
119 HZ1 LYS 18 3HZ LYS 18 6.102 -0.143 8.594
120 HZ2 LYS 18 1HZ LYS 18 6.738 0.437 10.050
121 HZ3 LYS 18 2HZ LYS 18 6.505 -1.224 9.831
122 H GLY 19 H GLY 19 13.675 2.520 10.279
123 HA2 GLY 19 2HA GLY 19 15.414 3.344 12.066
124 HA3 GLY 19 3HA GLY 19 15.376 1.640 12.494
125 H TYR 20 H TYR 20 14.897 1.090 9.520
126 HA TYR 20 HA TYR 20 17.652 0.658 8.877
127 HB2 TYR 20 2HB TYR 20 15.271 0.311 7.050
128 HB3 TYR 20 3HB TYR 20 16.845 -0.464 6.912
129 HD1 TYR 20 HD2 TYR 20 17.476 -2.278 8.448
130 HD2 TYR 20 HD1 TYR 20 13.603 -0.520 8.570
131 HE1 TYR 20 HE2 TYR 20 16.657 -4.187 9.766
132 HE2 TYR 20 HE1 TYR 20 12.774 -2.423 9.889
133 HH TYR 20 HH TYR 20 14.183 -4.246 11.574
134 H THR 21 H THR 21 18.322 1.177 6.498
135 HA THR 21 HA THR 21 18.609 3.976 6.308
136 HB THR 21 HB THR 21 20.234 2.322 5.382
137 HG1 THR 21 HG1 THR 21 20.866 3.780 3.926
138 HG21 THR 21 3HG2 THR 21 18.407 2.115 3.004
139 HG22 THR 21 1HG2 THR 21 18.367 0.931 4.310
140 HG23 THR 21 2HG2 THR 21 19.844 1.163 3.375
141 H GLY 22 H GLY 22 16.335 1.727 4.896
142 HA2 GLY 22 2HA GLY 22 14.218 3.225 4.421
143 HA3 GLY 22 3HA GLY 22 15.260 3.789 3.123
144 H GLY 23 H GLY 23 12.689 2.409 2.955
145 HA2 GLY 23 2HA GLY 23 13.403 -0.227 1.913
146 HA3 GLY 23 3HA GLY 23 11.775 0.396 2.136
147 H ASN 24 H ASN 24 14.031 -0.425 -0.125
148 HA ASN 24 HA ASN 24 12.885 1.410 -2.125
149 HB2 ASN 24 2HB ASN 24 15.429 -0.094 -2.612
150 HB3 ASN 24 3HB ASN 24 14.899 1.448 -3.279
151 HD21 ASN 24 1HD2 ASN 24 14.257 2.872 -1.070
152 HD22 ASN 24 2HD2 ASN 24 15.658 3.120 -0.090
153 H CYS 25 H CYS 25 12.454 0.547 -4.236
154 HA CYS 25 HA CYS 25 11.738 -2.303 -4.140
155 HB2 CYS 25 2HB CYS 25 10.652 -0.092 -5.898
156 HB3 CYS 25 3HB CYS 25 10.121 -1.770 -5.927
157 H ARG 26 H ARG 26 12.168 -3.656 -5.911
158 HA ARG 26 HA ARG 26 13.804 -2.638 -8.086
159 HB2 ARG 26 2HB ARG 26 14.797 -4.729 -6.143
160 HB3 ARG 26 3HB ARG 26 15.547 -4.390 -7.697
161 HG2 ARG 26 2HG ARG 26 15.213 -2.362 -5.499
162 HG3 ARG 26 3HG ARG 26 16.675 -3.312 -5.773
163 HD2 ARG 26 2HD ARG 26 16.040 -2.218 -8.258
164 HD3 ARG 26 3HD ARG 26 15.755 -0.919 -7.101
165 HE ARG 26 HE ARG 26 18.013 -0.783 -6.751
166 HH11 ARG 26 1HH1 ARG 26 17.285 -3.782 -8.363
167 HH12 ARG 26 2HH1 ARG 26 18.946 -4.186 -8.642
168 HH21 ARG 26 1HH2 ARG 26 20.204 -1.304 -7.111
169 HH22 ARG 26 2HH2 ARG 26 20.606 -2.777 -7.928
170 H GLY 27 H GLY 27 14.494 -4.668 -9.495
171 HA2 GLY 27 2HA GLY 27 11.989 -6.069 -10.040
172 HA3 GLY 27 3HA GLY 27 13.374 -5.958 -11.116
173 H LYS 28 H LYS 28 13.384 -6.953 -7.727
174 HA LYS 28 HA LYS 28 15.079 -9.108 -8.042
175 HB2 LYS 28 2HB LYS 28 13.985 -9.969 -5.896
176 HB3 LYS 28 3HB LYS 28 14.707 -8.366 -5.841
177 HG2 LYS 28 2HG LYS 28 11.881 -8.371 -6.589
178 HG3 LYS 28 3HG LYS 28 12.206 -8.997 -4.971
179 HD2 LYS 28 2HD LYS 28 13.605 -6.505 -5.748
180 HD3 LYS 28 3HD LYS 28 11.863 -6.392 -5.484
181 HE2 LYS 28 2HE LYS 28 13.201 -5.919 -3.452
182 HE3 LYS 28 3HE LYS 28 12.090 -7.274 -3.259
183 HZ1 LYS 28 3HZ LYS 28 14.969 -7.575 -3.914
184 HZ2 LYS 28 1HZ LYS 28 13.880 -8.806 -3.512
185 HZ3 LYS 28 2HZ LYS 28 14.342 -7.672 -2.346
186 H ILE 29 H ILE 29 11.639 -8.915 -8.589
187 HA ILE 29 HA ILE 29 11.696 -11.497 -9.899
188 HB ILE 29 HB ILE 29 9.583 -12.205 -8.652
189 HG12 ILE 29 2HG1 ILE 29 10.670 -10.185 -6.679
190 HG13 ILE 29 3HG1 ILE 29 9.134 -10.078 -7.532
191 HG21 ILE 29 1HG2 ILE 29 10.820 -13.446 -7.086
192 HG22 ILE 29 2HG2 ILE 29 11.935 -13.144 -8.418
193 HG23 ILE 29 3HG2 ILE 29 12.050 -12.190 -6.939
194 HD11 ILE 29 3HD1 ILE 29 8.697 -10.798 -5.313
195 HD12 ILE 29 1HD1 ILE 29 8.442 -12.177 -6.381
196 HD13 ILE 29 2HD1 ILE 29 9.918 -12.066 -5.421
197 H ARG 30 H ARG 30 9.782 -8.712 -8.858
198 HA ARG 30 HA ARG 30 8.857 -8.125 -11.444
199 HB2 ARG 30 2HB ARG 30 7.526 -10.274 -10.667
200 HB3 ARG 30 3HB ARG 30 6.566 -9.090 -9.790
201 HG2 ARG 30 2HG ARG 30 5.991 -7.959 -11.822
202 HG3 ARG 30 3HG ARG 30 7.097 -8.975 -12.749
203 HD2 ARG 30 2HD ARG 30 5.177 -10.106 -13.175
204 HD3 ARG 30 3HD ARG 30 5.605 -10.892 -11.656
205 HE ARG 30 HE ARG 30 3.946 -8.558 -11.350
206 HH11 ARG 30 1HH1 ARG 30 4.006 -12.000 -11.867
207 HH12 ARG 30 2HH1 ARG 30 2.409 -12.253 -11.244
208 HH21 ARG 30 1HH2 ARG 30 1.843 -8.878 -10.528
209 HH22 ARG 30 2HH2 ARG 30 1.179 -10.476 -10.484
210 H GLN 31 H GLN 31 9.967 -6.414 -9.872
211 HA GLN 31 HA GLN 31 9.771 -4.378 -8.880
212 HB2 GLN 31 2HB GLN 31 7.219 -4.745 -10.304
213 HB3 GLN 31 3HB GLN 31 7.176 -3.561 -9.005
214 HG2 GLN 31 2HG GLN 31 8.441 -2.089 -10.126
215 HG3 GLN 31 3HG GLN 31 9.481 -3.340 -10.806
216 HE21 GLN 31 1HE2 GLN 31 7.691 -0.945 -11.762
217 HE22 GLN 31 2HE2 GLN 31 6.969 -1.583 -13.196
218 H THR 32 H THR 32 10.195 -5.512 -6.864
219 HA THR 32 HA THR 32 7.868 -5.432 -5.056
220 HB THR 32 HB THR 32 10.221 -7.315 -4.805
221 HG1 THR 32 HG1 THR 32 7.589 -7.695 -5.816
222 HG21 THR 32 3HG2 THR 32 8.351 -8.401 -3.264
223 HG22 THR 32 1HG2 THR 32 7.823 -6.723 -3.147
224 HG23 THR 32 2HG2 THR 32 9.456 -7.171 -2.654
225 H CYS 33 H CYS 33 8.225 -4.683 -2.946
226 HA CYS 33 HA CYS 33 10.425 -2.811 -2.723
227 HB2 CYS 33 2HB CYS 33 7.774 -2.967 -1.716
228 HB3 CYS 33 3HB CYS 33 8.861 -2.940 -0.331
229 H HIS 34 H HIS 34 11.821 -2.709 -0.869
230 HA HIS 34 HA HIS 34 12.006 -4.952 0.917
231 HB2 HIS 34 2HB HIS 34 13.089 -5.718 -1.265
232 HB3 HIS 34 3HB HIS 34 14.345 -4.528 -0.940
233 HD1 HIS 34 HD1 HIS 34 12.709 -7.349 1.039
234 HD2 HIS 34 HD2 HIS 34 16.439 -5.670 0.308
235 HE1 HIS 34 HE1 HIS 34 14.343 -8.746 2.345
236 H CYS 35 H CYS 35 13.310 -4.544 2.693
237 HA CYS 35 HA CYS 35 14.130 -1.755 2.978
238 HB2 CYS 35 2HB CYS 35 13.503 -3.965 4.909
239 HB3 CYS 35 3HB CYS 35 14.434 -2.567 5.439
240 H TYR 36 H TYR 36 16.192 -1.107 3.392
241 HA TYR 36 HA TYR 36 18.264 -3.204 3.375
242 HB2 TYR 36 2HB TYR 36 18.507 -0.423 2.212
243 HB3 TYR 36 3HB TYR 36 19.704 -1.710 2.122
244 HD1 TYR 36 HD2 TYR 36 16.341 -0.677 0.974
245 HD2 TYR 36 HD1 TYR 36 19.597 -3.360 0.427
246 HE1 TYR 36 HE2 TYR 36 15.346 -1.444 -1.141
247 HE2 TYR 36 HE1 TYR 36 18.612 -4.134 -1.690
248 HH TYR 36 HH TYR 36 16.812 -4.065 -3.017
Start of MODEL 3
1 H1 GLY 1 H GLY 1 0.595 -1.299 0.040
2 HA2 GLY 1 2HA GLY 1 2.766 -0.324 -1.386
3 HA3 GLY 1 3HA GLY 1 1.481 -1.302 -2.078
4 H PHE 2 H PHE 2 2.536 1.986 -1.411
5 HA PHE 2 HA PHE 2 0.829 2.893 -3.628
6 HB2 PHE 2 2HB PHE 2 1.346 4.454 -1.089
7 HB3 PHE 2 3HB PHE 2 0.343 4.961 -2.444
8 HD1 PHE 2 HD2 PHE 2 0.580 2.773 0.473
9 HD2 PHE 2 HD1 PHE 2 -1.856 4.026 -2.785
10 HE1 PHE 2 HE2 PHE 2 -1.374 1.721 1.534
11 HE2 PHE 2 HE1 PHE 2 -3.814 2.975 -1.729
12 HZ PHE 2 HZ PHE 2 -3.575 1.820 0.432
13 H GLY 3 H GLY 3 3.494 2.125 -3.900
14 HA2 GLY 3 2HA GLY 3 4.619 4.176 -5.341
15 HA3 GLY 3 3HA GLY 3 5.253 4.374 -3.715
16 H CYS 4 H CYS 4 6.489 3.580 -6.352
17 HA CYS 4 HA CYS 4 8.427 1.829 -5.380
18 HB2 CYS 4 2HB CYS 4 6.038 0.492 -6.196
19 HB3 CYS 4 3HB CYS 4 7.314 0.098 -7.343
20 HA PRO 5 HA PRO 5 8.944 2.184 -10.164
21 HB2 PRO 5 2HB PRO 5 6.892 3.269 -11.572
22 HB3 PRO 5 3HB PRO 5 7.018 1.538 -11.238
23 HG2 PRO 5 2HG PRO 5 5.385 3.622 -9.842
24 HG3 PRO 5 3HG PRO 5 4.928 1.976 -10.320
25 HD2 PRO 5 2HD PRO 5 5.634 2.614 -7.785
26 HD3 PRO 5 3HD PRO 5 5.969 1.023 -8.498
27 H TRP 6 H TRP 6 6.798 4.760 -8.954
28 HA TRP 6 HA TRP 6 8.851 6.716 -9.758
29 HB2 TRP 6 2HB TRP 6 6.604 8.228 -9.677
30 HB3 TRP 6 3HB TRP 6 7.219 7.464 -11.140
31 HD1 TRP 6 HD1 TRP 6 5.777 5.556 -12.216
32 HE1 TRP 6 HE1 TRP 6 3.437 4.606 -11.720
33 HE3 TRP 6 HE3 TRP 6 4.969 7.726 -7.657
34 HZ2 TRP 6 HZ2 TRP 6 1.504 4.756 -9.668
35 HZ3 TRP 6 HZ3 TRP 6 2.849 7.272 -6.495
36 HH2 TRP 6 HH2 TRP 6 1.154 5.818 -7.481
37 H ASN 7 H ASN 7 6.446 5.770 -7.381
38 HA ASN 7 HA ASN 7 7.204 7.943 -5.598
39 HB2 ASN 7 2HB ASN 7 4.954 6.083 -5.825
40 HB3 ASN 7 3HB ASN 7 5.508 6.302 -4.168
41 HD21 ASN 7 1HD2 ASN 7 3.411 7.270 -3.844
42 HD22 ASN 7 2HD2 ASN 7 3.170 8.932 -4.251
43 H ALA 8 H ALA 8 9.411 7.258 -5.312
44 HA ALA 8 HA ALA 8 9.892 4.747 -3.940
45 HB1 ALA 8 1HB ALA 8 12.187 5.172 -4.223
46 HB2 ALA 8 2HB ALA 8 11.422 5.757 -5.701
47 HB3 ALA 8 3HB ALA 8 11.923 6.900 -4.455
48 H TYR 9 H TYR 9 9.572 8.131 -3.192
49 HA TYR 9 HA TYR 9 10.860 8.231 -0.718
50 HB2 TYR 9 2HB TYR 9 9.172 9.928 -2.256
51 HB3 TYR 9 3HB TYR 9 8.526 9.874 -0.620
52 HD1 TYR 9 HD1 TYR 9 11.922 10.060 -2.190
53 HD2 TYR 9 HD2 TYR 9 9.237 11.587 0.737
54 HE1 TYR 9 HE1 TYR 9 13.635 11.670 -1.468
55 HE2 TYR 9 HE2 TYR 9 10.942 13.203 1.466
56 HH TYR 9 HH TYR 9 14.205 13.168 0.111
57 H GLU 10 H GLU 10 7.718 6.996 -1.619
58 HA GLU 10 HA GLU 10 6.621 6.836 0.988
59 HB2 GLU 10 2HB GLU 10 5.719 6.351 -1.595
60 HB3 GLU 10 3HB GLU 10 5.680 4.768 -0.831
61 HG2 GLU 10 2HG GLU 10 3.632 5.440 -0.203
62 HG3 GLU 10 3HG GLU 10 4.528 6.214 1.103
63 H CYS 11 H CYS 11 7.805 4.196 -1.103
64 HA CYS 11 HA CYS 11 7.872 2.255 0.917
65 HB2 CYS 11 2HB CYS 11 8.076 2.061 -1.697
66 HB3 CYS 11 3HB CYS 11 9.803 2.157 -1.369
67 H ASP 12 H ASP 12 10.178 4.696 -0.029
68 HA ASP 12 HA ASP 12 12.416 3.609 1.349
69 HB2 ASP 12 2HB ASP 12 12.925 5.169 -0.345
70 HB3 ASP 12 3HB ASP 12 11.766 6.344 0.271
71 H ARG 13 H ARG 13 10.497 6.518 2.123
72 HA ARG 13 HA ARG 13 11.456 6.856 4.710
73 HB2 ARG 13 2HB ARG 13 8.813 7.622 3.472
74 HB3 ARG 13 3HB ARG 13 9.291 8.116 5.091
75 HG2 ARG 13 2HG ARG 13 11.365 8.717 3.186
76 HG3 ARG 13 3HG ARG 13 9.826 9.428 2.696
77 HD2 ARG 13 2HD ARG 13 9.614 10.367 4.999
78 HD3 ARG 13 3HD ARG 13 11.245 9.785 5.331
79 HE ARG 13 HE ARG 13 11.587 11.276 3.112
80 HH11 ARG 13 1HH1 ARG 13 10.024 11.895 6.161
81 HH12 ARG 13 2HH1 ARG 13 10.358 13.595 6.135
82 HH21 ARG 13 1HH2 ARG 13 12.032 13.512 3.067
83 HH22 ARG 13 2HH2 ARG 13 11.500 14.514 4.374
84 H HIS 14 H HIS 14 9.145 4.608 3.469
85 HA HIS 14 HA HIS 14 7.643 4.016 5.734
86 HB2 HIS 14 2HB HIS 14 7.079 3.103 3.555
87 HB3 HIS 14 3HB HIS 14 8.573 2.173 3.523
88 HD1 HIS 14 HD1 HIS 14 5.128 2.172 4.923
89 HD2 HIS 14 HD2 HIS 14 8.578 -0.131 5.157
90 HE1 HIS 14 HE1 HIS 14 4.424 0.015 6.008
91 H CYS 15 H CYS 15 10.788 2.745 4.712
92 HA CYS 15 HA CYS 15 10.999 1.154 7.141
93 HB2 CYS 15 2HB CYS 15 12.920 1.481 4.826
94 HB3 CYS 15 3HB CYS 15 13.115 0.349 6.160
95 H VAL 16 H VAL 16 12.346 4.052 5.696
96 HA VAL 16 HA VAL 16 14.552 4.509 7.286
97 HB VAL 16 HB VAL 16 12.586 6.595 6.328
98 HG11 VAL 16 1HG1 VAL 16 15.353 6.741 7.454
99 HG12 VAL 16 2HG1 VAL 16 14.796 7.955 6.302
100 HG13 VAL 16 3HG1 VAL 16 13.940 7.726 7.827
101 HG21 VAL 16 3HG2 VAL 16 14.310 4.847 4.881
102 HG22 VAL 16 1HG2 VAL 16 13.263 6.126 4.267
103 HG23 VAL 16 2HG2 VAL 16 14.923 6.494 4.736
104 H SER 17 H SER 17 11.171 4.809 8.087
105 HA SER 17 HA SER 17 11.568 6.317 10.486
106 HB2 SER 17 2HB SER 17 9.403 6.610 9.801
107 HB3 SER 17 3HB SER 17 9.279 4.980 9.141
108 HG SER 17 HG SER 17 8.004 5.215 11.013
109 H LYS 18 H LYS 18 11.170 2.898 9.707
110 HA LYS 18 HA LYS 18 11.033 1.968 12.376
111 HB2 LYS 18 2HB LYS 18 11.642 0.687 9.733
112 HB3 LYS 18 3HB LYS 18 11.865 -0.222 11.222
113 HG2 LYS 18 2HG LYS 18 9.731 -0.815 10.899
114 HG3 LYS 18 3HG LYS 18 9.374 0.765 11.601
115 HD2 LYS 18 2HD LYS 18 8.406 1.406 9.706
116 HD3 LYS 18 3HD LYS 18 9.902 1.101 8.820
117 HE2 LYS 18 2HE LYS 18 7.706 -0.879 9.409
118 HE3 LYS 18 3HE LYS 18 8.110 -0.183 7.840
119 HZ1 LYS 18 3HZ LYS 18 10.450 -1.279 8.678
120 HZ2 LYS 18 1HZ LYS 18 9.375 -1.978 7.575
121 HZ3 LYS 18 2HZ LYS 18 9.301 -2.400 9.211
122 H GLY 19 H GLY 19 13.710 2.544 10.156
123 HA2 GLY 19 2HA GLY 19 15.688 3.261 11.745
124 HA3 GLY 19 3HA GLY 19 15.626 1.547 12.128
125 H TYR 20 H TYR 20 15.016 0.583 9.537
126 HA TYR 20 HA TYR 20 17.541 0.206 8.469
127 HB2 TYR 20 2HB TYR 20 14.949 0.094 6.916
128 HB3 TYR 20 3HB TYR 20 16.446 -0.749 6.534
129 HD1 TYR 20 HD2 TYR 20 17.277 -2.510 8.183
130 HD2 TYR 20 HD1 TYR 20 13.341 -0.897 8.305
131 HE1 TYR 20 HE2 TYR 20 16.531 -4.444 9.506
132 HE2 TYR 20 HE1 TYR 20 12.585 -2.827 9.630
133 HH TYR 20 HH TYR 20 13.338 -4.579 10.926
134 H THR 21 H THR 21 18.240 0.809 6.217
135 HA THR 21 HA THR 21 18.578 3.589 6.028
136 HB THR 21 HB THR 21 20.131 1.893 5.049
137 HG1 THR 21 HG1 THR 21 20.782 3.565 3.943
138 HG21 THR 21 3HG2 THR 21 18.421 1.796 2.609
139 HG22 THR 21 1HG2 THR 21 18.055 0.701 3.941
140 HG23 THR 21 2HG2 THR 21 19.642 0.657 3.175
141 H GLY 22 H GLY 22 16.206 1.429 4.639
142 HA2 GLY 22 2HA GLY 22 14.118 2.963 4.224
143 HA3 GLY 22 3HA GLY 22 15.150 3.566 2.937
144 H GLY 23 H GLY 23 12.554 2.196 2.785
145 HA2 GLY 23 2HA GLY 23 13.173 -0.421 1.685
146 HA3 GLY 23 3HA GLY 23 11.578 0.300 1.831
147 H ASN 24 H ASN 24 13.951 -0.601 -0.306
148 HA ASN 24 HA ASN 24 12.954 1.259 -2.363
149 HB2 ASN 24 2HB ASN 24 15.511 -0.249 -2.723
150 HB3 ASN 24 3HB ASN 24 15.038 1.320 -3.367
151 HD21 ASN 24 1HD2 ASN 24 14.300 2.704 -1.180
152 HD22 ASN 24 2HD2 ASN 24 15.637 2.892 -0.102
153 H CYS 25 H CYS 25 12.610 0.416 -4.483
154 HA CYS 25 HA CYS 25 11.833 -2.412 -4.443
155 HB2 CYS 25 2HB CYS 25 11.035 -0.175 -6.317
156 HB3 CYS 25 3HB CYS 25 10.463 -1.837 -6.431
157 H ARG 26 H ARG 26 12.368 -3.810 -6.160
158 HA ARG 26 HA ARG 26 14.303 -2.906 -8.134
159 HB2 ARG 26 2HB ARG 26 14.925 -5.047 -6.093
160 HB3 ARG 26 3HB ARG 26 15.869 -4.769 -7.550
161 HG2 ARG 26 2HG ARG 26 15.415 -2.694 -5.418
162 HG3 ARG 26 3HG ARG 26 16.823 -3.756 -5.490
163 HD2 ARG 26 2HD ARG 26 16.731 -2.736 -8.027
164 HD3 ARG 26 3HD ARG 26 16.177 -1.372 -7.058
165 HE ARG 26 HE ARG 26 18.827 -2.494 -7.126
166 HH11 ARG 26 1HH1 ARG 26 16.546 -0.614 -5.287
167 HH12 ARG 26 2HH1 ARG 26 17.764 0.200 -4.361
168 HH21 ARG 26 1HH2 ARG 26 20.440 -1.430 -5.914
169 HH22 ARG 26 2HH2 ARG 26 19.979 -0.264 -4.720
170 H GLY 27 H GLY 27 15.016 -4.975 -9.466
171 HA2 GLY 27 2HA GLY 27 12.506 -6.221 -10.294
172 HA3 GLY 27 3HA GLY 27 14.004 -6.192 -11.212
173 H LYS 28 H LYS 28 13.619 -7.179 -7.846
174 HA LYS 28 HA LYS 28 15.193 -9.441 -8.008
175 HB2 LYS 28 2HB LYS 28 13.853 -10.220 -5.973
176 HB3 LYS 28 3HB LYS 28 14.669 -8.667 -5.849
177 HG2 LYS 28 2HG LYS 28 11.929 -8.492 -6.854
178 HG3 LYS 28 3HG LYS 28 12.063 -9.133 -5.214
179 HD2 LYS 28 2HD LYS 28 13.677 -6.734 -5.864
180 HD3 LYS 28 3HD LYS 28 11.930 -6.517 -5.739
181 HE2 LYS 28 2HE LYS 28 13.166 -6.130 -3.609
182 HE3 LYS 28 3HE LYS 28 11.917 -7.370 -3.506
183 HZ1 LYS 28 3HZ LYS 28 14.793 -7.959 -3.935
184 HZ2 LYS 28 1HZ LYS 28 13.559 -9.070 -3.608
185 HZ3 LYS 28 2HZ LYS 28 14.046 -7.972 -2.417
186 H ILE 29 H ILE 29 11.844 -9.024 -8.881
187 HA ILE 29 HA ILE 29 11.850 -11.615 -10.175
188 HB ILE 29 HB ILE 29 9.584 -12.168 -9.139
189 HG12 ILE 29 2HG1 ILE 29 10.608 -10.208 -7.073
190 HG13 ILE 29 3HG1 ILE 29 9.172 -10.006 -8.072
191 HG21 ILE 29 1HG2 ILE 29 11.723 -12.340 -7.071
192 HG22 ILE 29 2HG2 ILE 29 10.587 -13.570 -7.622
193 HG23 ILE 29 3HG2 ILE 29 11.966 -13.130 -8.628
194 HD11 ILE 29 3HD1 ILE 29 8.235 -10.728 -6.127
195 HD12 ILE 29 1HD1 ILE 29 8.471 -12.270 -6.949
196 HD13 ILE 29 2HD1 ILE 29 9.612 -11.747 -5.710
197 H ARG 30 H ARG 30 10.040 -8.697 -9.330
198 HA ARG 30 HA ARG 30 9.416 -8.062 -11.991
199 HB2 ARG 30 2HB ARG 30 6.910 -8.415 -11.821
200 HB3 ARG 30 3HB ARG 30 7.880 -9.863 -12.052
201 HG2 ARG 30 2HG ARG 30 7.183 -10.755 -10.137
202 HG3 ARG 30 3HG ARG 30 7.451 -9.255 -9.247
203 HD2 ARG 30 2HD ARG 30 5.180 -9.112 -11.064
204 HD3 ARG 30 3HD ARG 30 5.006 -10.375 -9.846
205 HE ARG 30 HE ARG 30 4.794 -7.582 -9.426
206 HH11 ARG 30 1HH1 ARG 30 5.965 -10.506 -7.942
207 HH12 ARG 30 2HH1 ARG 30 5.776 -9.915 -6.325
208 HH21 ARG 30 1HH2 ARG 30 4.540 -6.793 -7.301
209 HH22 ARG 30 2HH2 ARG 30 4.964 -7.804 -5.961
210 H GLN 31 H GLN 31 10.467 -6.438 -10.273
211 HA GLN 31 HA GLN 31 10.297 -4.383 -9.312
212 HB2 GLN 31 2HB GLN 31 8.702 -4.149 -11.351
213 HB3 GLN 31 3HB GLN 31 7.419 -4.233 -10.151
214 HG2 GLN 31 2HG GLN 31 7.636 -2.035 -9.964
215 HG3 GLN 31 3HG GLN 31 9.137 -2.361 -9.099
216 HE21 GLN 31 1HE2 GLN 31 7.935 -2.105 -12.429
217 HE22 GLN 31 2HE2 GLN 31 9.301 -1.240 -13.037
218 H THR 32 H THR 32 10.444 -5.598 -7.284
219 HA THR 32 HA THR 32 7.963 -5.370 -5.707
220 HB THR 32 HB THR 32 10.187 -7.358 -5.215
221 HG1 THR 32 HG1 THR 32 7.615 -7.733 -6.392
222 HG21 THR 32 3HG2 THR 32 8.279 -8.403 -3.827
223 HG22 THR 32 1HG2 THR 32 7.538 -6.805 -3.915
224 HG23 THR 32 2HG2 THR 32 9.123 -7.002 -3.166
225 H CYS 33 H CYS 33 8.134 -4.609 -3.587
226 HA CYS 33 HA CYS 33 10.383 -2.846 -3.137
227 HB2 CYS 33 2HB CYS 33 7.634 -3.017 -2.257
228 HB3 CYS 33 3HB CYS 33 8.712 -2.787 -0.884
229 H HIS 34 H HIS 34 11.729 -2.869 -1.307
230 HA HIS 34 HA HIS 34 11.611 -5.027 0.588
231 HB2 HIS 34 2HB HIS 34 12.789 -5.802 -1.668
232 HB3 HIS 34 3HB HIS 34 14.170 -4.987 -0.941
233 HD1 HIS 34 HD1 HIS 34 11.562 -7.263 0.643
234 HD2 HIS 34 HD2 HIS 34 15.672 -6.976 0.103
235 HE1 HIS 34 HE1 HIS 34 12.544 -9.201 1.910
236 H CYS 35 H CYS 35 12.871 -4.661 2.401
237 HA CYS 35 HA CYS 35 14.076 -1.988 2.532
238 HB2 CYS 35 2HB CYS 35 13.000 -3.839 4.660
239 HB3 CYS 35 3HB CYS 35 13.919 -2.386 5.039
240 H TYR 36 H TYR 36 16.192 -1.700 2.890
241 HA TYR 36 HA TYR 36 17.853 -3.589 4.216
242 HB2 TYR 36 2HB TYR 36 19.189 -4.384 2.414
243 HB3 TYR 36 3HB TYR 36 17.515 -4.665 1.950
244 HD1 TYR 36 HD1 TYR 36 16.432 -2.663 0.567
245 HD2 TYR 36 HD2 TYR 36 20.602 -3.459 0.843
246 HE1 TYR 36 HE1 TYR 36 16.800 -1.426 -1.527
247 HE2 TYR 36 HE2 TYR 36 20.982 -2.224 -1.250
248 HH TYR 36 HH TYR 36 20.039 -1.160 -2.957
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -0.474 3.191 -6.383
2 HA2 GLY 1 2HA GLY 1 -0.747 1.707 -4.058
3 HA3 GLY 1 3HA GLY 1 0.679 1.689 -5.084
4 H PHE 2 H PHE 2 1.860 1.343 -3.088
5 HA PHE 2 HA PHE 2 2.037 3.661 -1.316
6 HB2 PHE 2 2HB PHE 2 3.227 0.888 -1.110
7 HB3 PHE 2 3HB PHE 2 3.476 2.165 0.076
8 HD1 PHE 2 HD2 PHE 2 0.831 3.349 0.320
9 HD2 PHE 2 HD1 PHE 2 1.964 -0.735 -0.067
10 HE1 PHE 2 HE2 PHE 2 -1.229 2.671 1.482
11 HE2 PHE 2 HE1 PHE 2 -0.095 -1.420 1.094
12 HZ PHE 2 HZ PHE 2 -1.694 0.284 1.871
13 H GLY 3 H GLY 3 3.085 3.639 -4.090
14 HA2 GLY 3 2HA GLY 3 4.882 4.669 -5.109
15 HA3 GLY 3 3HA GLY 3 5.611 4.868 -3.523
16 H CYS 4 H CYS 4 6.658 3.937 -6.196
17 HA CYS 4 HA CYS 4 8.536 2.094 -5.276
18 HB2 CYS 4 2HB CYS 4 6.032 0.887 -5.937
19 HB3 CYS 4 3HB CYS 4 7.223 0.389 -7.135
20 HA PRO 5 HA PRO 5 8.826 2.305 -10.088
21 HB2 PRO 5 2HB PRO 5 6.773 3.480 -11.420
22 HB3 PRO 5 3HB PRO 5 6.813 1.752 -11.047
23 HG2 PRO 5 2HG PRO 5 5.380 3.964 -9.627
24 HG3 PRO 5 3HG PRO 5 4.802 2.339 -10.037
25 HD2 PRO 5 2HD PRO 5 5.675 2.992 -7.559
26 HD3 PRO 5 3HD PRO 5 5.877 1.367 -8.245
27 H TRP 6 H TRP 6 6.903 5.034 -8.841
28 HA TRP 6 HA TRP 6 9.025 6.842 -9.798
29 HB2 TRP 6 2HB TRP 6 6.879 8.490 -9.644
30 HB3 TRP 6 3HB TRP 6 7.370 7.656 -11.115
31 HD1 TRP 6 HD1 TRP 6 5.764 5.814 -12.066
32 HE1 TRP 6 HE1 TRP 6 3.401 5.020 -11.428
33 HE3 TRP 6 HE3 TRP 6 5.324 8.136 -7.532
34 HZ2 TRP 6 HZ2 TRP 6 1.589 5.336 -9.286
35 HZ3 TRP 6 HZ3 TRP 6 3.244 7.839 -6.252
36 HH2 TRP 6 HH2 TRP 6 1.416 6.469 -7.113
37 H ASN 7 H ASN 7 6.694 6.101 -7.278
38 HA ASN 7 HA ASN 7 7.673 8.264 -5.595
39 HB2 ASN 7 2HB ASN 7 5.306 6.541 -5.658
40 HB3 ASN 7 3HB ASN 7 5.958 6.766 -4.037
41 HD21 ASN 7 1HD2 ASN 7 3.944 7.869 -3.633
42 HD22 ASN 7 2HD2 ASN 7 3.782 9.532 -4.074
43 H ALA 8 H ALA 8 9.847 7.449 -5.406
44 HA ALA 8 HA ALA 8 10.239 4.950 -3.979
45 HB1 ALA 8 1HB ALA 8 11.751 5.603 -5.815
46 HB2 ALA 8 2HB ALA 8 12.284 6.985 -4.856
47 HB3 ALA 8 3HB ALA 8 12.602 5.345 -4.291
48 H TYR 9 H TYR 9 10.147 8.359 -3.329
49 HA TYR 9 HA TYR 9 11.582 8.397 -0.907
50 HB2 TYR 9 2HB TYR 9 10.392 10.292 -2.484
51 HB3 TYR 9 3HB TYR 9 9.323 10.271 -1.086
52 HD1 TYR 9 HD1 TYR 9 10.411 10.540 1.229
53 HD2 TYR 9 HD2 TYR 9 12.397 11.485 -2.413
54 HE1 TYR 9 HE1 TYR 9 11.995 11.957 2.467
55 HE2 TYR 9 HE2 TYR 9 13.987 12.904 -1.185
56 HH TYR 9 HH TYR 9 13.915 13.115 2.344
57 H GLU 10 H GLU 10 8.256 7.607 -1.678
58 HA GLU 10 HA GLU 10 7.274 7.636 0.985
59 HB2 GLU 10 2HB GLU 10 5.889 7.727 -1.129
60 HB3 GLU 10 3HB GLU 10 6.191 6.004 -1.312
61 HG2 GLU 10 2HG GLU 10 4.387 5.647 -0.086
62 HG3 GLU 10 3HG GLU 10 5.280 6.280 1.296
63 H CYS 11 H CYS 11 8.281 4.973 -1.155
64 HA CYS 11 HA CYS 11 7.991 2.964 0.832
65 HB2 CYS 11 2HB CYS 11 8.211 2.860 -1.830
66 HB3 CYS 11 3HB CYS 11 9.896 2.561 -1.419
67 H ASP 12 H ASP 12 10.541 5.154 -0.032
68 HA ASP 12 HA ASP 12 12.627 3.725 1.322
69 HB2 ASP 12 2HB ASP 12 13.320 5.149 -0.451
70 HB3 ASP 12 3HB ASP 12 12.424 6.517 0.202
71 H ARG 13 H ARG 13 10.922 6.782 2.012
72 HA ARG 13 HA ARG 13 12.011 7.206 4.547
73 HB2 ARG 13 2HB ARG 13 10.343 8.845 4.858
74 HB3 ARG 13 3HB ARG 13 10.644 8.818 3.126
75 HG2 ARG 13 2HG ARG 13 8.393 8.795 3.045
76 HG3 ARG 13 3HG ARG 13 8.636 7.058 3.238
77 HD2 ARG 13 2HD ARG 13 8.606 7.749 5.810
78 HD3 ARG 13 3HD ARG 13 7.628 9.070 5.170
79 HE ARG 13 HE ARG 13 6.860 6.323 5.430
80 HH11 ARG 13 1HH1 ARG 13 6.343 9.255 3.625
81 HH12 ARG 13 2HH1 ARG 13 4.739 8.824 3.134
82 HH21 ARG 13 1HH2 ARG 13 4.749 5.744 4.789
83 HH22 ARG 13 2HH2 ARG 13 3.833 6.827 3.797
84 H HIS 14 H HIS 14 9.613 4.979 3.488
85 HA HIS 14 HA HIS 14 8.125 4.583 5.810
86 HB2 HIS 14 2HB HIS 14 7.498 3.579 3.677
87 HB3 HIS 14 3HB HIS 14 8.938 2.565 3.707
88 HD1 HIS 14 HD1 HIS 14 5.486 2.811 5.026
89 HD2 HIS 14 HD2 HIS 14 8.839 0.421 5.573
90 HE1 HIS 14 HE1 HIS 14 4.671 0.786 6.274
91 H CYS 15 H CYS 15 11.192 3.127 4.796
92 HA CYS 15 HA CYS 15 11.396 1.668 7.307
93 HB2 CYS 15 2HB CYS 15 13.292 1.788 4.951
94 HB3 CYS 15 3HB CYS 15 13.440 0.707 6.333
95 H VAL 16 H VAL 16 12.758 4.462 5.707
96 HA VAL 16 HA VAL 16 15.047 4.920 7.176
97 HB VAL 16 HB VAL 16 13.074 6.992 6.206
98 HG11 VAL 16 1HG1 VAL 16 14.404 8.263 7.556
99 HG12 VAL 16 2HG1 VAL 16 15.786 7.175 7.406
100 HG13 VAL 16 3HG1 VAL 16 15.383 8.278 6.089
101 HG21 VAL 16 3HG2 VAL 16 13.918 6.779 4.134
102 HG22 VAL 16 1HG2 VAL 16 15.562 6.533 4.723
103 HG23 VAL 16 2HG2 VAL 16 14.427 5.184 4.688
104 H SER 17 H SER 17 11.716 5.315 8.124
105 HA SER 17 HA SER 17 12.292 6.866 10.472
106 HB2 SER 17 2HB SER 17 10.087 6.822 9.158
107 HB3 SER 17 3HB SER 17 9.762 5.299 9.985
108 HG SER 17 HG SER 17 10.417 7.692 11.351
109 H LYS 18 H LYS 18 11.677 3.470 9.750
110 HA LYS 18 HA LYS 18 11.540 2.565 12.422
111 HB2 LYS 18 2HB LYS 18 12.014 1.267 9.770
112 HB3 LYS 18 3HB LYS 18 12.316 0.343 11.235
113 HG2 LYS 18 2HG LYS 18 10.157 -0.226 10.990
114 HG3 LYS 18 3HG LYS 18 9.876 1.316 11.802
115 HD2 LYS 18 2HD LYS 18 8.954 2.225 9.976
116 HD3 LYS 18 3HD LYS 18 10.219 1.591 8.920
117 HE2 LYS 18 2HE LYS 18 8.288 0.532 8.161
118 HE3 LYS 18 3HE LYS 18 9.036 -0.673 9.208
119 HZ1 LYS 18 3HZ LYS 18 6.469 0.242 9.376
120 HZ2 LYS 18 1HZ LYS 18 7.258 1.041 10.641
121 HZ3 LYS 18 2HZ LYS 18 7.289 -0.647 10.558
122 H GLY 19 H GLY 19 14.222 2.977 10.164
123 HA2 GLY 19 2HA GLY 19 16.246 3.636 11.723
124 HA3 GLY 19 3HA GLY 19 16.108 1.934 12.140
125 H TYR 20 H TYR 20 15.447 0.922 9.595
126 HA TYR 20 HA TYR 20 17.933 0.414 8.508
127 HB2 TYR 20 2HB TYR 20 15.344 0.407 6.949
128 HB3 TYR 20 3HB TYR 20 16.787 -0.544 6.617
129 HD1 TYR 20 HD1 TYR 20 17.462 -2.332 8.278
130 HD2 TYR 20 HD2 TYR 20 13.677 -0.393 8.406
131 HE1 TYR 20 HE1 TYR 20 16.576 -4.166 9.657
132 HE2 TYR 20 HE2 TYR 20 12.781 -2.221 9.787
133 HH TYR 20 HH TYR 20 13.629 -3.962 11.313
134 H THR 21 H THR 21 18.546 0.909 6.162
135 HA THR 21 HA THR 21 19.048 3.680 5.939
136 HB THR 21 HB THR 21 20.519 1.896 4.993
137 HG1 THR 21 HG1 THR 21 20.242 4.250 4.193
138 HG21 THR 21 3HG2 THR 21 18.691 1.816 2.620
139 HG22 THR 21 1HG2 THR 21 18.464 0.695 3.961
140 HG23 THR 21 2HG2 THR 21 19.984 0.705 3.067
141 H GLY 22 H GLY 22 16.526 1.624 4.707
142 HA2 GLY 22 2HA GLY 22 14.528 3.238 4.240
143 HA3 GLY 22 3HA GLY 22 15.570 3.744 2.919
144 H GLY 23 H GLY 23 12.895 2.456 2.920
145 HA2 GLY 23 2HA GLY 23 13.391 -0.199 1.852
146 HA3 GLY 23 3HA GLY 23 11.824 0.573 2.046
147 H ASN 24 H ASN 24 13.988 -0.513 -0.179
148 HA ASN 24 HA ASN 24 12.995 1.355 -2.231
149 HB2 ASN 24 2HB ASN 24 15.484 -0.251 -2.657
150 HB3 ASN 24 3HB ASN 24 15.030 1.308 -3.339
151 HD21 ASN 24 1HD2 ASN 24 14.423 2.778 -1.155
152 HD22 ASN 24 2HD2 ASN 24 15.817 2.967 -0.152
153 H CYS 25 H CYS 25 12.641 0.446 -4.361
154 HA CYS 25 HA CYS 25 11.678 -2.320 -4.187
155 HB2 CYS 25 2HB CYS 25 11.023 -0.125 -6.164
156 HB3 CYS 25 3HB CYS 25 10.346 -1.750 -6.202
157 H ARG 26 H ARG 26 12.148 -3.842 -5.800
158 HA ARG 26 HA ARG 26 14.100 -3.161 -7.844
159 HB2 ARG 26 2HB ARG 26 14.657 -5.212 -5.694
160 HB3 ARG 26 3HB ARG 26 15.614 -5.010 -7.155
161 HG2 ARG 26 2HG ARG 26 15.211 -2.883 -5.064
162 HG3 ARG 26 3HG ARG 26 16.616 -3.945 -5.170
163 HD2 ARG 26 2HD ARG 26 16.167 -2.773 -7.726
164 HD3 ARG 26 3HD ARG 26 16.150 -1.494 -6.512
165 HE ARG 26 HE ARG 26 18.348 -2.946 -5.873
166 HH11 ARG 26 1HH1 ARG 26 17.216 -1.450 -8.806
167 HH12 ARG 26 2HH1 ARG 26 18.807 -1.149 -9.421
168 HH21 ARG 26 1HH2 ARG 26 20.448 -2.555 -6.673
169 HH22 ARG 26 2HH2 ARG 26 20.645 -1.779 -8.208
170 H GLY 27 H GLY 27 14.710 -5.350 -9.032
171 HA2 GLY 27 2HA GLY 27 12.140 -6.532 -9.761
172 HA3 GLY 27 3HA GLY 27 13.634 -6.644 -10.679
173 H LYS 28 H LYS 28 13.171 -7.372 -7.253
174 HA LYS 28 HA LYS 28 14.652 -9.699 -7.224
175 HB2 LYS 28 2HB LYS 28 13.236 -10.285 -5.175
176 HB3 LYS 28 3HB LYS 28 14.115 -8.762 -5.135
177 HG2 LYS 28 2HG LYS 28 11.407 -8.544 -6.215
178 HG3 LYS 28 3HG LYS 28 11.479 -9.075 -4.533
179 HD2 LYS 28 2HD LYS 28 13.199 -6.789 -5.320
180 HD3 LYS 28 3HD LYS 28 11.461 -6.501 -5.223
181 HE2 LYS 28 2HE LYS 28 12.537 -5.984 -3.105
182 HE3 LYS 28 3HE LYS 28 11.452 -7.362 -2.930
183 HZ1 LYS 28 3HZ LYS 28 14.324 -7.771 -3.462
184 HZ2 LYS 28 1HZ LYS 28 13.212 -8.831 -2.752
185 HZ3 LYS 28 2HZ LYS 28 13.773 -7.490 -1.887
186 H ILE 29 H ILE 29 11.320 -9.222 -8.159
187 HA ILE 29 HA ILE 29 11.257 -11.877 -9.313
188 HB ILE 29 HB ILE 29 8.972 -12.310 -8.259
189 HG12 ILE 29 2HG1 ILE 29 10.045 -10.274 -6.294
190 HG13 ILE 29 3HG1 ILE 29 8.621 -10.082 -7.311
191 HG21 ILE 29 1HG2 ILE 29 9.926 -13.507 -6.443
192 HG22 ILE 29 2HG2 ILE 29 11.127 -13.490 -7.733
193 HG23 ILE 29 3HG2 ILE 29 11.299 -12.405 -6.354
194 HD11 ILE 29 3HD1 ILE 29 9.004 -11.752 -4.878
195 HD12 ILE 29 1HD1 ILE 29 7.687 -10.659 -5.302
196 HD13 ILE 29 2HD1 ILE 29 7.814 -12.235 -6.086
197 H ARG 30 H ARG 30 9.530 -8.868 -8.634
198 HA ARG 30 HA ARG 30 8.919 -8.386 -11.338
199 HB2 ARG 30 2HB ARG 30 7.304 -10.321 -10.575
200 HB3 ARG 30 3HB ARG 30 6.409 -9.001 -9.835
201 HG2 ARG 30 2HG ARG 30 5.385 -9.135 -11.874
202 HG3 ARG 30 3HG ARG 30 6.623 -7.922 -12.207
203 HD2 ARG 30 2HD ARG 30 7.764 -9.282 -13.598
204 HD3 ARG 30 3HD ARG 30 7.451 -10.714 -12.619
205 HE ARG 30 HE ARG 30 5.977 -9.846 -14.897
206 HH11 ARG 30 1HH1 ARG 30 5.686 -11.477 -11.835
207 HH12 ARG 30 2HH1 ARG 30 4.298 -12.399 -12.310
208 HH21 ARG 30 1HH2 ARG 30 4.150 -11.053 -15.534
209 HH22 ARG 30 2HH2 ARG 30 3.425 -12.157 -14.414
210 H GLN 31 H GLN 31 10.068 -6.702 -9.732
211 HA GLN 31 HA GLN 31 10.008 -4.583 -8.908
212 HB2 GLN 31 2HB GLN 31 7.622 -4.779 -10.606
213 HB3 GLN 31 3HB GLN 31 7.516 -3.536 -9.367
214 HG2 GLN 31 2HG GLN 31 9.574 -2.531 -10.168
215 HG3 GLN 31 3HG GLN 31 9.737 -3.800 -11.381
216 HE21 GLN 31 1HE2 GLN 31 9.727 -2.275 -13.044
217 HE22 GLN 31 2HE2 GLN 31 8.275 -1.482 -13.544
218 H THR 32 H THR 32 10.112 -5.521 -6.779
219 HA THR 32 HA THR 32 7.640 -5.067 -5.244
220 HB THR 32 HB THR 32 9.688 -7.199 -4.614
221 HG1 THR 32 HG1 THR 32 7.176 -7.323 -5.939
222 HG21 THR 32 3HG2 THR 32 7.229 -6.189 -3.291
223 HG22 THR 32 1HG2 THR 32 8.710 -6.835 -2.584
224 HG23 THR 32 2HG2 THR 32 7.507 -7.930 -3.265
225 H CYS 33 H CYS 33 7.890 -4.235 -3.144
226 HA CYS 33 HA CYS 33 10.272 -2.621 -2.810
227 HB2 CYS 33 2HB CYS 33 7.543 -2.411 -2.048
228 HB3 CYS 33 3HB CYS 33 8.502 -2.418 -0.571
229 H HIS 34 H HIS 34 11.606 -2.632 -0.961
230 HA HIS 34 HA HIS 34 11.332 -4.674 1.042
231 HB2 HIS 34 2HB HIS 34 12.419 -5.698 -1.129
232 HB3 HIS 34 3HB HIS 34 13.865 -4.886 -0.536
233 HD1 HIS 34 HD1 HIS 34 11.216 -7.064 1.134
234 HD2 HIS 34 HD2 HIS 34 15.341 -6.659 0.850
235 HE1 HIS 34 HE1 HIS 34 12.172 -8.877 2.592
236 H CYS 35 H CYS 35 12.845 -4.450 2.764
237 HA CYS 35 HA CYS 35 14.090 -1.790 2.828
238 HB2 CYS 35 2HB CYS 35 13.072 -3.608 5.008
239 HB3 CYS 35 3HB CYS 35 14.087 -2.211 5.348
240 H TYR 36 H TYR 36 16.231 -1.588 2.921
241 HA TYR 36 HA TYR 36 17.945 -3.441 4.227
242 HB2 TYR 36 2HB TYR 36 19.085 -4.417 2.380
243 HB3 TYR 36 3HB TYR 36 17.367 -4.661 2.083
244 HD1 TYR 36 HD2 TYR 36 16.281 -2.563 0.733
245 HD2 TYR 36 HD1 TYR 36 20.343 -3.816 0.553
246 HE1 TYR 36 HE2 TYR 36 16.507 -1.494 -1.471
247 HE2 TYR 36 HE1 TYR 36 20.581 -2.749 -1.651
248 HH TYR 36 HH TYR 36 18.505 -0.519 -2.846
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -0.501 -1.922 -2.497
2 HA2 GLY 1 2HA GLY 1 1.820 -0.556 -1.301
3 HA3 GLY 1 3HA GLY 1 1.999 -1.446 -2.805
4 H PHE 2 H PHE 2 2.200 1.489 -1.986
5 HA PHE 2 HA PHE 2 0.757 2.498 -4.317
6 HB2 PHE 2 2HB PHE 2 0.648 3.966 -1.682
7 HB3 PHE 2 3HB PHE 2 -0.241 4.329 -3.157
8 HD1 PHE 2 HD2 PHE 2 0.015 2.052 -0.288
9 HD2 PHE 2 HD1 PHE 2 -2.253 3.175 -3.709
10 HE1 PHE 2 HE2 PHE 2 -1.868 0.690 0.518
11 HE2 PHE 2 HE1 PHE 2 -4.141 1.815 -2.909
12 HZ PHE 2 HZ PHE 2 -3.949 0.569 -0.793
13 H GLY 3 H GLY 3 3.201 2.186 -4.789
14 HA2 GLY 3 2HA GLY 3 4.457 4.373 -5.547
15 HA3 GLY 3 3HA GLY 3 4.809 4.432 -3.826
16 H CYS 4 H CYS 4 6.495 4.023 -6.307
17 HA CYS 4 HA CYS 4 8.425 2.341 -5.208
18 HB2 CYS 4 2HB CYS 4 6.319 0.929 -6.582
19 HB3 CYS 4 3HB CYS 4 7.850 0.698 -7.420
20 HA PRO 5 HA PRO 5 9.592 3.212 -9.808
21 HB2 PRO 5 2HB PRO 5 7.674 4.271 -11.412
22 HB3 PRO 5 3HB PRO 5 7.909 2.530 -11.216
23 HG2 PRO 5 2HG PRO 5 5.907 4.330 -9.907
24 HG3 PRO 5 3HG PRO 5 5.677 2.711 -10.592
25 HD2 PRO 5 2HD PRO 5 5.949 3.143 -7.933
26 HD3 PRO 5 3HD PRO 5 6.527 1.663 -8.724
27 H TRP 6 H TRP 6 7.060 5.482 -8.737
28 HA TRP 6 HA TRP 6 9.021 7.662 -9.039
29 HB2 TRP 6 2HB TRP 6 6.661 8.982 -9.167
30 HB3 TRP 6 3HB TRP 6 7.538 8.408 -10.583
31 HD1 TRP 6 HD1 TRP 6 6.428 6.517 -12.018
32 HE1 TRP 6 HE1 TRP 6 4.136 5.348 -11.949
33 HE3 TRP 6 HE3 TRP 6 4.818 8.157 -7.451
34 HZ2 TRP 6 HZ2 TRP 6 1.937 5.148 -10.191
35 HZ3 TRP 6 HZ3 TRP 6 2.608 7.431 -6.649
36 HH2 TRP 6 HH2 TRP 6 1.199 5.958 -7.993
37 H ASN 7 H ASN 7 6.432 6.270 -7.129
38 HA ASN 7 HA ASN 7 6.716 8.315 -5.073
39 HB2 ASN 7 2HB ASN 7 4.695 6.333 -5.805
40 HB3 ASN 7 3HB ASN 7 4.994 6.397 -4.071
41 HD21 ASN 7 1HD2 ASN 7 2.835 7.188 -3.880
42 HD22 ASN 7 2HD2 ASN 7 2.491 8.856 -4.172
43 H ALA 8 H ALA 8 8.835 6.298 -5.755
44 HA ALA 8 HA ALA 8 9.113 4.285 -3.896
45 HB1 ALA 8 1HB ALA 8 11.291 4.139 -4.554
46 HB2 ALA 8 2HB ALA 8 10.656 5.126 -5.872
47 HB3 ALA 8 3HB ALA 8 11.530 5.887 -4.542
48 H TYR 9 H TYR 9 9.557 7.732 -3.478
49 HA TYR 9 HA TYR 9 11.009 7.816 -1.124
50 HB2 TYR 9 2HB TYR 9 9.705 9.665 -2.706
51 HB3 TYR 9 3HB TYR 9 8.826 9.763 -1.184
52 HD1 TYR 9 HD2 TYR 9 12.222 9.974 -2.667
53 HD2 TYR 9 HD1 TYR 9 9.735 10.910 0.656
54 HE1 TYR 9 HE2 TYR 9 14.007 11.387 -1.736
55 HE2 TYR 9 HE1 TYR 9 11.513 12.327 1.595
56 HH TYR 9 HH TYR 9 14.653 12.205 0.649
57 H GLU 10 H GLU 10 7.691 6.922 -1.649
58 HA GLU 10 HA GLU 10 6.790 7.202 1.027
59 HB2 GLU 10 2HB GLU 10 5.154 7.099 -0.712
60 HB3 GLU 10 3HB GLU 10 5.782 5.565 -1.298
61 HG2 GLU 10 2HG GLU 10 3.627 5.499 0.028
62 HG3 GLU 10 3HG GLU 10 4.898 4.377 0.511
63 H CYS 11 H CYS 11 7.859 4.366 -0.844
64 HA CYS 11 HA CYS 11 7.704 2.571 1.351
65 HB2 CYS 11 2HB CYS 11 7.855 2.178 -1.278
66 HB3 CYS 11 3HB CYS 11 9.570 2.031 -0.909
67 H ASP 12 H ASP 12 10.094 4.814 0.255
68 HA ASP 12 HA ASP 12 12.340 3.636 1.551
69 HB2 ASP 12 2HB ASP 12 12.880 5.131 -0.179
70 HB3 ASP 12 3HB ASP 12 11.770 6.362 0.417
71 H ARG 13 H ARG 13 10.418 6.532 2.364
72 HA ARG 13 HA ARG 13 11.553 6.984 4.872
73 HB2 ARG 13 2HB ARG 13 8.820 7.652 3.781
74 HB3 ARG 13 3HB ARG 13 9.380 8.198 5.355
75 HG2 ARG 13 2HG ARG 13 11.413 8.894 3.580
76 HG3 ARG 13 3HG ARG 13 9.907 9.281 2.745
77 HD2 ARG 13 2HD ARG 13 9.318 10.880 4.259
78 HD3 ARG 13 3HD ARG 13 10.136 10.069 5.594
79 HE ARG 13 HE ARG 13 12.122 10.939 3.886
80 HH11 ARG 13 1HH1 ARG 13 9.575 12.372 5.778
81 HH12 ARG 13 2HH1 ARG 13 10.424 13.860 6.033
82 HH21 ARG 13 1HH2 ARG 13 13.250 12.895 4.215
83 HH22 ARG 13 2HH2 ARG 13 12.514 14.157 5.143
84 H HIS 14 H HIS 14 9.271 4.617 3.843
85 HA HIS 14 HA HIS 14 7.914 4.063 6.214
86 HB2 HIS 14 2HB HIS 14 7.278 3.078 4.066
87 HB3 HIS 14 3HB HIS 14 8.770 2.143 4.037
88 HD1 HIS 14 HD1 HIS 14 5.331 2.129 5.359
89 HD2 HIS 14 HD2 HIS 14 8.858 0.018 5.962
90 HE1 HIS 14 HE1 HIS 14 4.667 0.056 6.617
91 H CYS 15 H CYS 15 11.031 2.861 5.037
92 HA CYS 15 HA CYS 15 11.439 1.342 7.487
93 HB2 CYS 15 2HB CYS 15 13.218 1.672 5.061
94 HB3 CYS 15 3HB CYS 15 13.512 0.571 6.403
95 H VAL 16 H VAL 16 12.582 4.252 5.904
96 HA VAL 16 HA VAL 16 14.869 4.823 7.336
97 HB VAL 16 HB VAL 16 12.762 6.799 6.449
98 HG11 VAL 16 1HG1 VAL 16 15.634 7.149 7.278
99 HG12 VAL 16 2HG1 VAL 16 14.738 8.361 6.361
100 HG13 VAL 16 3HG1 VAL 16 14.201 7.902 7.977
101 HG21 VAL 16 3HG2 VAL 16 14.274 5.076 4.898
102 HG22 VAL 16 1HG2 VAL 16 13.475 6.550 4.350
103 HG23 VAL 16 2HG2 VAL 16 15.169 6.595 4.839
104 H SER 17 H SER 17 11.537 5.017 8.351
105 HA SER 17 HA SER 17 12.054 6.574 10.703
106 HB2 SER 17 2HB SER 17 9.851 6.809 10.023
107 HB3 SER 17 3HB SER 17 9.693 5.107 9.590
108 HG SER 17 HG SER 17 9.645 6.285 12.159
109 H LYS 18 H LYS 18 11.719 3.149 9.957
110 HA LYS 18 HA LYS 18 11.712 2.225 12.635
111 HB2 LYS 18 2HB LYS 18 12.190 0.971 9.961
112 HB3 LYS 18 3HB LYS 18 12.597 0.066 11.413
113 HG2 LYS 18 2HG LYS 18 10.476 -0.647 11.242
114 HG3 LYS 18 3HG LYS 18 10.111 0.881 12.048
115 HD2 LYS 18 2HD LYS 18 9.072 1.697 10.243
116 HD3 LYS 18 3HD LYS 18 10.359 1.161 9.160
117 HE2 LYS 18 2HE LYS 18 8.615 -0.121 8.407
118 HE3 LYS 18 3HE LYS 18 9.316 -1.205 9.608
119 HZ1 LYS 18 3HZ LYS 18 7.646 -0.086 11.190
120 HZ2 LYS 18 1HZ LYS 18 7.078 -1.253 10.104
121 HZ3 LYS 18 2HZ LYS 18 6.845 0.390 9.777
122 H GLY 19 H GLY 19 14.276 2.857 10.298
123 HA2 GLY 19 2HA GLY 19 16.305 3.650 11.763
124 HA3 GLY 19 3HA GLY 19 16.295 1.953 12.218
125 H TYR 20 H TYR 20 15.576 0.898 9.674
126 HA TYR 20 HA TYR 20 18.054 0.482 8.525
127 HB2 TYR 20 2HB TYR 20 15.421 0.362 7.045
128 HB3 TYR 20 3HB TYR 20 16.895 -0.521 6.662
129 HD1 TYR 20 HD1 TYR 20 17.749 -2.190 8.434
130 HD2 TYR 20 HD2 TYR 20 13.801 -0.605 8.413
131 HE1 TYR 20 HE1 TYR 20 16.996 -4.065 9.836
132 HE2 TYR 20 HE2 TYR 20 13.037 -2.475 9.817
133 HH TYR 20 HH TYR 20 13.636 -4.647 10.475
134 H THR 21 H THR 21 18.552 0.985 6.140
135 HA THR 21 HA THR 21 18.965 3.769 5.902
136 HB THR 21 HB THR 21 20.444 2.029 4.889
137 HG1 THR 21 HG1 THR 21 20.338 4.296 4.168
138 HG21 THR 21 3HG2 THR 21 18.602 0.622 3.978
139 HG22 THR 21 1HG2 THR 21 19.848 1.003 2.791
140 HG23 THR 21 2HG2 THR 21 18.309 1.863 2.761
141 H GLY 22 H GLY 22 16.497 1.614 4.684
142 HA2 GLY 22 2HA GLY 22 14.409 3.161 4.337
143 HA3 GLY 22 3HA GLY 22 15.385 3.733 2.992
144 H GLY 23 H GLY 23 12.766 2.339 3.054
145 HA2 GLY 23 2HA GLY 23 13.347 -0.266 1.895
146 HA3 GLY 23 3HA GLY 23 11.753 0.409 2.199
147 H ASN 24 H ASN 24 13.862 -0.473 -0.172
148 HA ASN 24 HA ASN 24 12.628 1.376 -2.108
149 HB2 ASN 24 2HB ASN 24 15.209 -0.005 -2.720
150 HB3 ASN 24 3HB ASN 24 14.601 1.540 -3.306
151 HD21 ASN 24 1HD2 ASN 24 14.018 2.893 -1.061
152 HD22 ASN 24 2HD2 ASN 24 15.439 3.139 -0.110
153 H CYS 25 H CYS 25 12.369 0.481 -4.301
154 HA CYS 25 HA CYS 25 11.537 -2.328 -4.149
155 HB2 CYS 25 2HB CYS 25 10.820 -0.293 -6.265
156 HB3 CYS 25 3HB CYS 25 10.071 -1.864 -6.002
157 H ARG 26 H ARG 26 12.083 -3.814 -5.772
158 HA ARG 26 HA ARG 26 14.019 -3.024 -7.794
159 HB2 ARG 26 2HB ARG 26 14.629 -4.935 -5.547
160 HB3 ARG 26 3HB ARG 26 15.499 -4.988 -7.074
161 HG2 ARG 26 2HG ARG 26 15.322 -2.548 -5.323
162 HG3 ARG 26 3HG ARG 26 16.646 -3.714 -5.274
163 HD2 ARG 26 2HD ARG 26 15.990 -2.707 -7.951
164 HD3 ARG 26 3HD ARG 26 16.592 -1.485 -6.832
165 HE ARG 26 HE ARG 26 18.330 -3.581 -6.579
166 HH11 ARG 26 1HH1 ARG 26 17.203 -1.600 -9.210
167 HH12 ARG 26 2HH1 ARG 26 18.675 -1.733 -10.113
168 HH21 ARG 26 1HH2 ARG 26 20.273 -3.764 -7.759
169 HH22 ARG 26 2HH2 ARG 26 20.421 -2.966 -9.287
170 H GLY 27 H GLY 27 14.711 -5.143 -9.035
171 HA2 GLY 27 2HA GLY 27 12.197 -6.433 -9.778
172 HA3 GLY 27 3HA GLY 27 13.687 -6.444 -10.711
173 H LYS 28 H LYS 28 13.352 -7.269 -7.298
174 HA LYS 28 HA LYS 28 14.924 -9.533 -7.370
175 HB2 LYS 28 2HB LYS 28 13.603 -10.218 -5.287
176 HB3 LYS 28 3HB LYS 28 14.425 -8.664 -5.244
177 HG2 LYS 28 2HG LYS 28 11.675 -8.528 -6.225
178 HG3 LYS 28 3HG LYS 28 11.826 -9.089 -4.559
179 HD2 LYS 28 2HD LYS 28 13.402 -6.707 -5.393
180 HD3 LYS 28 3HD LYS 28 11.665 -6.515 -5.148
181 HE2 LYS 28 2HE LYS 28 13.518 -7.745 -3.116
182 HE3 LYS 28 3HE LYS 28 13.087 -6.036 -3.137
183 HZ1 LYS 28 3HZ LYS 28 10.909 -6.491 -2.576
184 HZ2 LYS 28 1HZ LYS 28 11.750 -7.641 -1.663
185 HZ3 LYS 28 2HZ LYS 28 10.983 -8.098 -3.099
186 H ILE 29 H ILE 29 11.545 -9.175 -8.179
187 HA ILE 29 HA ILE 29 11.548 -11.807 -9.387
188 HB ILE 29 HB ILE 29 9.321 -12.355 -8.264
189 HG12 ILE 29 2HG1 ILE 29 10.381 -10.317 -6.294
190 HG13 ILE 29 3HG1 ILE 29 8.915 -10.163 -7.256
191 HG21 ILE 29 1HG2 ILE 29 11.780 -13.212 -7.774
192 HG22 ILE 29 2HG2 ILE 29 11.465 -12.452 -6.215
193 HG23 ILE 29 3HG2 ILE 29 10.402 -13.730 -6.804
194 HD11 ILE 29 3HD1 ILE 29 8.422 -10.776 -4.957
195 HD12 ILE 29 1HD1 ILE 29 7.934 -12.048 -6.076
196 HD13 ILE 29 2HD1 ILE 29 9.408 -12.228 -5.125
197 H ARG 30 H ARG 30 9.726 -8.885 -8.584
198 HA ARG 30 HA ARG 30 9.007 -8.360 -11.248
199 HB2 ARG 30 2HB ARG 30 7.509 -10.398 -10.483
200 HB3 ARG 30 3HB ARG 30 6.564 -9.131 -9.713
201 HG2 ARG 30 2HG ARG 30 5.497 -9.128 -11.693
202 HG3 ARG 30 3HG ARG 30 6.826 -8.062 -12.155
203 HD2 ARG 30 2HD ARG 30 7.796 -9.623 -13.478
204 HD3 ARG 30 3HD ARG 30 7.320 -10.959 -12.431
205 HE ARG 30 HE ARG 30 5.054 -9.861 -13.719
206 HH11 ARG 30 1HH1 ARG 30 7.857 -11.837 -14.320
207 HH12 ARG 30 2HH1 ARG 30 7.122 -12.713 -15.622
208 HH21 ARG 30 1HH2 ARG 30 4.075 -11.008 -15.431
209 HH22 ARG 30 2HH2 ARG 30 4.971 -12.240 -16.253
210 H GLN 31 H GLN 31 10.110 -6.652 -9.659
211 HA GLN 31 HA GLN 31 9.966 -4.566 -8.764
212 HB2 GLN 31 2HB GLN 31 7.509 -4.851 -10.358
213 HB3 GLN 31 3HB GLN 31 7.427 -3.623 -9.101
214 HG2 GLN 31 2HG GLN 31 9.903 -3.470 -10.587
215 HG3 GLN 31 3HG GLN 31 8.493 -3.340 -11.638
216 HE21 GLN 31 1HE2 GLN 31 8.324 -1.251 -12.088
217 HE22 GLN 31 2HE2 GLN 31 8.276 0.027 -10.926
218 H THR 32 H THR 32 10.191 -5.616 -6.678
219 HA THR 32 HA THR 32 7.759 -5.323 -5.039
220 HB THR 32 HB THR 32 9.945 -7.360 -4.576
221 HG1 THR 32 HG1 THR 32 7.284 -7.727 -5.537
222 HG21 THR 32 3HG2 THR 32 8.153 -8.291 -3.013
223 HG22 THR 32 1HG2 THR 32 7.365 -6.722 -3.167
224 HG23 THR 32 2HG2 THR 32 8.990 -6.830 -2.489
225 H CYS 33 H CYS 33 8.025 -4.500 -2.950
226 HA CYS 33 HA CYS 33 10.297 -2.748 -2.646
227 HB2 CYS 33 2HB CYS 33 7.609 -2.938 -1.575
228 HB3 CYS 33 3HB CYS 33 8.783 -2.643 -0.296
229 H HIS 34 H HIS 34 11.695 -2.701 -0.824
230 HA HIS 34 HA HIS 34 11.725 -4.879 1.050
231 HB2 HIS 34 2HB HIS 34 12.768 -5.781 -1.111
232 HB3 HIS 34 3HB HIS 34 14.109 -4.687 -0.784
233 HD1 HIS 34 HD1 HIS 34 12.468 -6.416 2.079
234 HD2 HIS 34 HD2 HIS 34 15.822 -6.874 -0.329
235 HE1 HIS 34 HE1 HIS 34 13.893 -8.138 3.231
236 H CYS 35 H CYS 35 13.089 -4.509 2.803
237 HA CYS 35 HA CYS 35 14.112 -1.769 2.964
238 HB2 CYS 35 2HB CYS 35 13.307 -3.802 5.033
239 HB3 CYS 35 3HB CYS 35 14.254 -2.382 5.465
240 H TYR 36 H TYR 36 16.220 -1.344 2.990
241 HA TYR 36 HA TYR 36 18.087 -3.601 3.192
242 HB2 TYR 36 2HB TYR 36 18.618 -0.818 2.137
243 HB3 TYR 36 3HB TYR 36 19.685 -2.213 2.016
244 HD1 TYR 36 HD2 TYR 36 16.465 -0.807 0.853
245 HD2 TYR 36 HD1 TYR 36 19.446 -3.785 0.260
246 HE1 TYR 36 HE2 TYR 36 15.441 -1.394 -1.305
247 HE2 TYR 36 HE1 TYR 36 18.431 -4.380 -1.900
248 HH TYR 36 HH TYR 36 15.375 -3.457 -2.811
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -1.001 -2.034 -4.635
2 HA2 GLY 1 2HA GLY 1 1.023 -0.981 -5.099
3 HA3 GLY 1 3HA GLY 1 0.159 0.187 -6.088
4 H PHE 2 H PHE 2 2.048 1.272 -4.651
5 HA PHE 2 HA PHE 2 0.763 3.150 -3.029
6 HB2 PHE 2 2HB PHE 2 1.945 2.455 -0.838
7 HB3 PHE 2 3HB PHE 2 0.466 1.613 -1.288
8 HD1 PHE 2 HD2 PHE 2 4.125 1.297 -1.976
9 HD2 PHE 2 HD1 PHE 2 0.481 -0.645 -0.943
10 HE1 PHE 2 HE2 PHE 2 5.314 -0.853 -1.837
11 HE2 PHE 2 HE1 PHE 2 1.664 -2.798 -0.801
12 HZ PHE 2 HZ PHE 2 4.083 -2.904 -1.250
13 H GLY 3 H GLY 3 2.727 2.980 -5.123
14 HA2 GLY 3 2HA GLY 3 4.433 4.553 -5.585
15 HA3 GLY 3 3HA GLY 3 4.797 4.626 -3.867
16 H CYS 4 H CYS 4 6.450 4.112 -6.351
17 HA CYS 4 HA CYS 4 8.319 2.373 -5.236
18 HB2 CYS 4 2HB CYS 4 6.152 1.024 -6.580
19 HB3 CYS 4 3HB CYS 4 7.668 0.722 -7.421
20 HA PRO 5 HA PRO 5 9.495 3.130 -9.855
21 HB2 PRO 5 2HB PRO 5 7.611 4.238 -11.465
22 HB3 PRO 5 3HB PRO 5 7.780 2.492 -11.244
23 HG2 PRO 5 2HG PRO 5 5.855 4.388 -9.954
24 HG3 PRO 5 3HG PRO 5 5.559 2.768 -10.612
25 HD2 PRO 5 2HD PRO 5 5.862 3.230 -7.961
26 HD3 PRO 5 3HD PRO 5 6.379 1.716 -8.732
27 H TRP 6 H TRP 6 7.059 5.511 -8.805
28 HA TRP 6 HA TRP 6 9.101 7.609 -9.148
29 HB2 TRP 6 2HB TRP 6 6.793 9.017 -9.289
30 HB3 TRP 6 3HB TRP 6 7.642 8.389 -10.698
31 HD1 TRP 6 HD1 TRP 6 6.456 6.521 -12.102
32 HE1 TRP 6 HE1 TRP 6 4.121 5.443 -12.009
33 HE3 TRP 6 HE3 TRP 6 4.926 8.289 -7.555
34 HZ2 TRP 6 HZ2 TRP 6 1.921 5.353 -10.242
35 HZ3 TRP 6 HZ3 TRP 6 2.692 7.660 -6.736
36 HH2 TRP 6 HH2 TRP 6 1.222 6.223 -8.054
37 H ASN 7 H ASN 7 6.465 6.349 -7.210
38 HA ASN 7 HA ASN 7 6.838 8.411 -5.185
39 HB2 ASN 7 2HB ASN 7 4.737 6.499 -5.881
40 HB3 ASN 7 3HB ASN 7 5.044 6.581 -4.148
41 HD21 ASN 7 1HD2 ASN 7 2.907 7.454 -3.987
42 HD22 ASN 7 2HD2 ASN 7 2.633 9.131 -4.298
43 H ALA 8 H ALA 8 8.868 6.295 -5.846
44 HA ALA 8 HA ALA 8 9.071 4.305 -3.951
45 HB1 ALA 8 1HB ALA 8 10.881 5.686 -5.739
46 HB2 ALA 8 2HB ALA 8 11.678 5.203 -4.241
47 HB3 ALA 8 3HB ALA 8 10.863 3.996 -5.235
48 H TYR 9 H TYR 9 9.667 7.736 -3.601
49 HA TYR 9 HA TYR 9 11.135 7.798 -1.255
50 HB2 TYR 9 2HB TYR 9 9.850 9.669 -2.863
51 HB3 TYR 9 3HB TYR 9 9.077 9.854 -1.293
52 HD1 TYR 9 HD2 TYR 9 12.440 9.690 -2.890
53 HD2 TYR 9 HD1 TYR 9 10.101 11.140 0.355
54 HE1 TYR 9 HE2 TYR 9 14.356 11.022 -2.111
55 HE2 TYR 9 HE1 TYR 9 12.009 12.477 1.141
56 HH TYR 9 HH TYR 9 14.463 12.474 0.949
57 H GLU 10 H GLU 10 7.780 7.042 -1.750
58 HA GLU 10 HA GLU 10 6.894 7.422 0.916
59 HB2 GLU 10 2HB GLU 10 5.255 7.327 -0.819
60 HB3 GLU 10 3HB GLU 10 5.829 5.756 -1.362
61 HG2 GLU 10 2HG GLU 10 3.758 5.501 -0.167
62 HG3 GLU 10 3HG GLU 10 5.070 4.765 0.752
63 H CYS 11 H CYS 11 7.772 4.464 -0.869
64 HA CYS 11 HA CYS 11 7.559 2.732 1.344
65 HB2 CYS 11 2HB CYS 11 7.760 2.257 -1.243
66 HB3 CYS 11 3HB CYS 11 9.480 2.161 -0.877
67 H ASP 12 H ASP 12 10.052 4.892 0.303
68 HA ASP 12 HA ASP 12 12.213 3.683 1.706
69 HB2 ASP 12 2HB ASP 12 12.754 5.172 -0.080
70 HB3 ASP 12 3HB ASP 12 11.784 6.466 0.619
71 H ARG 13 H ARG 13 10.410 6.687 2.399
72 HA ARG 13 HA ARG 13 11.428 7.173 4.919
73 HB2 ARG 13 2HB ARG 13 8.785 7.813 3.645
74 HB3 ARG 13 3HB ARG 13 9.104 8.263 5.315
75 HG2 ARG 13 2HG ARG 13 11.259 9.046 3.541
76 HG3 ARG 13 3HG ARG 13 9.708 9.745 3.071
77 HD2 ARG 13 2HD ARG 13 9.572 10.203 5.686
78 HD3 ARG 13 3HD ARG 13 11.327 10.166 5.522
79 HE ARG 13 HE ARG 13 10.553 11.836 3.539
80 HH11 ARG 13 1HH1 ARG 13 9.896 11.704 6.955
81 HH12 ARG 13 2HH1 ARG 13 9.716 13.420 7.119
82 HH21 ARG 13 1HH2 ARG 13 10.319 14.096 3.742
83 HH22 ARG 13 2HH2 ARG 13 9.956 14.779 5.291
84 H HIS 14 H HIS 14 9.022 4.862 3.921
85 HA HIS 14 HA HIS 14 7.787 4.323 6.365
86 HB2 HIS 14 2HB HIS 14 6.921 3.429 4.278
87 HB3 HIS 14 3HB HIS 14 8.375 2.460 4.055
88 HD1 HIS 14 HD1 HIS 14 5.211 2.614 6.055
89 HD2 HIS 14 HD2 HIS 14 8.461 0.084 5.510
90 HE1 HIS 14 HE1 HIS 14 4.580 0.457 7.184
91 H CYS 15 H CYS 15 10.763 3.024 4.964
92 HA CYS 15 HA CYS 15 11.236 1.383 7.322
93 HB2 CYS 15 2HB CYS 15 11.926 1.152 4.621
94 HB3 CYS 15 3HB CYS 15 13.443 1.496 5.445
95 H VAL 16 H VAL 16 12.288 4.376 5.896
96 HA VAL 16 HA VAL 16 14.718 4.769 7.197
97 HB VAL 16 HB VAL 16 12.646 6.845 6.470
98 HG11 VAL 16 1HG1 VAL 16 14.196 7.780 8.049
99 HG12 VAL 16 2HG1 VAL 16 15.569 7.122 7.157
100 HG13 VAL 16 3HG1 VAL 16 14.583 8.400 6.445
101 HG21 VAL 16 3HG2 VAL 16 14.835 6.892 4.708
102 HG22 VAL 16 1HG2 VAL 16 14.372 5.199 4.881
103 HG23 VAL 16 2HG2 VAL 16 13.181 6.390 4.361
104 H SER 17 H SER 17 11.493 4.844 8.428
105 HA SER 17 HA SER 17 12.185 6.325 10.816
106 HB2 SER 17 2HB SER 17 9.859 6.110 9.524
107 HB3 SER 17 3HB SER 17 9.650 4.766 10.646
108 HG SER 17 HG SER 17 8.914 6.451 11.779
109 H LYS 18 H LYS 18 11.606 2.981 9.879
110 HA LYS 18 HA LYS 18 11.534 1.815 12.417
111 HB2 LYS 18 2HB LYS 18 12.138 0.869 9.666
112 HB3 LYS 18 3HB LYS 18 12.655 -0.162 10.994
113 HG2 LYS 18 2HG LYS 18 10.578 -1.011 10.613
114 HG3 LYS 18 3HG LYS 18 10.187 0.220 11.817
115 HD2 LYS 18 2HD LYS 18 9.093 1.525 10.321
116 HD3 LYS 18 3HD LYS 18 10.179 1.099 8.995
117 HE2 LYS 18 2HE LYS 18 8.330 -0.006 8.280
118 HE3 LYS 18 3HE LYS 18 8.996 -1.264 9.320
119 HZ1 LYS 18 3HZ LYS 18 7.547 -0.012 11.099
120 HZ2 LYS 18 1HZ LYS 18 6.875 -1.194 10.092
121 HZ3 LYS 18 2HZ LYS 18 6.659 0.445 9.734
122 H GLY 19 H GLY 19 14.283 2.548 10.302
123 HA2 GLY 19 2HA GLY 19 16.179 3.307 11.971
124 HA3 GLY 19 3HA GLY 19 16.142 1.590 12.345
125 H TYR 20 H TYR 20 15.431 1.068 9.446
126 HA TYR 20 HA TYR 20 18.096 0.623 8.549
127 HB2 TYR 20 2HB TYR 20 15.565 0.422 6.912
128 HB3 TYR 20 3HB TYR 20 17.099 -0.386 6.607
129 HD1 TYR 20 HD1 TYR 20 17.812 -2.271 8.028
130 HD2 TYR 20 HD2 TYR 20 13.999 -0.445 8.508
131 HE1 TYR 20 HE1 TYR 20 17.052 -4.214 9.330
132 HE2 TYR 20 HE2 TYR 20 13.229 -2.383 9.813
133 HH TYR 20 HH TYR 20 14.624 -5.273 9.809
134 H THR 21 H THR 21 18.433 1.178 6.037
135 HA THR 21 HA THR 21 18.790 4.014 5.966
136 HB THR 21 HB THR 21 20.402 2.394 4.955
137 HG1 THR 21 HG1 THR 21 20.551 4.513 4.267
138 HG21 THR 21 3HG2 THR 21 19.953 1.201 3.020
139 HG22 THR 21 1HG2 THR 21 18.594 2.232 2.575
140 HG23 THR 21 2HG2 THR 21 18.425 1.070 3.891
141 H GLY 22 H GLY 22 16.399 1.812 4.775
142 HA2 GLY 22 2HA GLY 22 14.290 3.277 4.343
143 HA3 GLY 22 3HA GLY 22 15.269 3.867 3.009
144 H GLY 23 H GLY 23 12.690 2.336 3.120
145 HA2 GLY 23 2HA GLY 23 13.394 -0.227 1.939
146 HA3 GLY 23 3HA GLY 23 11.771 0.363 2.265
147 H ASN 24 H ASN 24 13.784 -0.492 -0.146
148 HA ASN 24 HA ASN 24 12.517 1.364 -2.053
149 HB2 ASN 24 2HB ASN 24 15.064 -0.045 -2.735
150 HB3 ASN 24 3HB ASN 24 14.456 1.505 -3.307
151 HD21 ASN 24 1HD2 ASN 24 13.953 2.869 -1.049
152 HD22 ASN 24 2HD2 ASN 24 15.404 3.102 -0.141
153 H CYS 25 H CYS 25 12.241 0.451 -4.256
154 HA CYS 25 HA CYS 25 11.340 -2.333 -4.057
155 HB2 CYS 25 2HB CYS 25 10.664 -0.341 -6.224
156 HB3 CYS 25 3HB CYS 25 9.855 -1.866 -5.878
157 H ARG 26 H ARG 26 11.828 -3.851 -5.676
158 HA ARG 26 HA ARG 26 13.786 -3.138 -7.706
159 HB2 ARG 26 2HB ARG 26 14.331 -5.118 -5.495
160 HB3 ARG 26 3HB ARG 26 15.242 -5.084 -6.999
161 HG2 ARG 26 2HG ARG 26 15.015 -2.764 -5.094
162 HG3 ARG 26 3HG ARG 26 16.355 -3.912 -5.126
163 HD2 ARG 26 2HD ARG 26 16.548 -3.273 -7.617
164 HD3 ARG 26 3HD ARG 26 15.562 -1.878 -7.180
165 HE ARG 26 HE ARG 26 17.683 -2.017 -5.378
166 HH11 ARG 26 1HH1 ARG 26 17.161 -1.478 -8.778
167 HH12 ARG 26 2HH1 ARG 26 18.557 -0.471 -8.966
168 HH21 ARG 26 1HH2 ARG 26 19.524 -0.692 -5.613
169 HH22 ARG 26 2HH2 ARG 26 19.902 -0.025 -7.165
170 H GLY 27 H GLY 27 14.403 -5.280 -8.941
171 HA2 GLY 27 2HA GLY 27 11.846 -6.496 -9.666
172 HA3 GLY 27 3HA GLY 27 13.329 -6.554 -10.608
173 H LYS 28 H LYS 28 13.013 -7.353 -7.190
174 HA LYS 28 HA LYS 28 14.506 -9.670 -7.275
175 HB2 LYS 28 2HB LYS 28 13.201 -10.298 -5.165
176 HB3 LYS 28 3HB LYS 28 14.076 -8.772 -5.146
177 HG2 LYS 28 2HG LYS 28 11.314 -8.548 -6.079
178 HG3 LYS 28 3HG LYS 28 11.476 -9.105 -4.412
179 HD2 LYS 28 2HD LYS 28 13.121 -6.785 -5.283
180 HD3 LYS 28 3HD LYS 28 11.394 -6.529 -5.021
181 HE2 LYS 28 2HE LYS 28 13.227 -7.808 -3.001
182 HE3 LYS 28 3HE LYS 28 12.850 -6.086 -3.028
183 HZ1 LYS 28 3HZ LYS 28 10.661 -6.471 -2.447
184 HZ2 LYS 28 1HZ LYS 28 11.479 -7.631 -1.527
185 HZ3 LYS 28 2HZ LYS 28 10.686 -8.086 -2.950
186 H ILE 29 H ILE 29 11.134 -9.197 -8.044
187 HA ILE 29 HA ILE 29 11.024 -11.840 -9.221
188 HB ILE 29 HB ILE 29 8.790 -12.289 -8.069
189 HG12 ILE 29 2HG1 ILE 29 9.949 -10.271 -6.134
190 HG13 ILE 29 3HG1 ILE 29 8.479 -10.073 -7.081
191 HG21 ILE 29 1HG2 ILE 29 11.194 -12.398 -6.263
192 HG22 ILE 29 2HG2 ILE 29 9.827 -13.510 -6.321
193 HG23 ILE 29 3HG2 ILE 29 10.981 -13.461 -7.653
194 HD11 ILE 29 3HD1 ILE 29 7.791 -12.285 -5.828
195 HD12 ILE 29 1HD1 ILE 29 8.971 -11.701 -4.655
196 HD13 ILE 29 2HD1 ILE 29 7.588 -10.697 -5.088
197 H ARG 30 H ARG 30 9.322 -8.843 -8.432
198 HA ARG 30 HA ARG 30 8.598 -8.314 -11.093
199 HB2 ARG 30 2HB ARG 30 7.034 -10.294 -10.284
200 HB3 ARG 30 3HB ARG 30 6.135 -8.977 -9.545
201 HG2 ARG 30 2HG ARG 30 5.075 -9.058 -11.546
202 HG3 ARG 30 3HG ARG 30 6.376 -7.943 -11.971
203 HD2 ARG 30 2HD ARG 30 7.388 -9.436 -13.326
204 HD3 ARG 30 3HD ARG 30 7.011 -10.800 -12.273
205 HE ARG 30 HE ARG 30 5.155 -11.206 -13.540
206 HH11 ARG 30 1HH1 ARG 30 6.248 -7.959 -14.155
207 HH12 ARG 30 2HH1 ARG 30 5.122 -7.684 -15.443
208 HH21 ARG 30 1HH2 ARG 30 3.667 -10.857 -15.233
209 HH22 ARG 30 2HH2 ARG 30 3.654 -9.333 -16.055
210 H GLN 31 H GLN 31 9.773 -6.647 -9.493
211 HA GLN 31 HA GLN 31 9.705 -4.545 -8.626
212 HB2 GLN 31 2HB GLN 31 6.812 -4.453 -9.474
213 HB3 GLN 31 3HB GLN 31 7.904 -3.096 -9.234
214 HG2 GLN 31 2HG GLN 31 8.201 -5.189 -11.376
215 HG3 GLN 31 3HG GLN 31 7.479 -3.597 -11.605
216 HE21 GLN 31 1HE2 GLN 31 10.407 -5.382 -11.149
217 HE22 GLN 31 2HE2 GLN 31 11.498 -4.086 -11.488
218 H THR 32 H THR 32 9.903 -5.662 -6.549
219 HA THR 32 HA THR 32 7.501 -5.277 -4.883
220 HB THR 32 HB THR 32 9.665 -7.342 -4.435
221 HG1 THR 32 HG1 THR 32 7.962 -7.558 -6.235
222 HG21 THR 32 3HG2 THR 32 7.093 -6.709 -2.996
223 HG22 THR 32 1HG2 THR 32 8.729 -6.711 -2.339
224 HG23 THR 32 2HG2 THR 32 7.961 -8.231 -2.796
225 H CYS 33 H CYS 33 7.790 -4.423 -2.814
226 HA CYS 33 HA CYS 33 10.103 -2.716 -2.541
227 HB2 CYS 33 2HB CYS 33 7.484 -2.444 -1.823
228 HB3 CYS 33 3HB CYS 33 8.217 -2.882 -0.284
229 H HIS 34 H HIS 34 11.534 -2.694 -0.765
230 HA HIS 34 HA HIS 34 11.494 -4.803 1.186
231 HB2 HIS 34 2HB HIS 34 12.501 -5.732 -1.044
232 HB3 HIS 34 3HB HIS 34 13.924 -4.808 -0.570
233 HD1 HIS 34 HD1 HIS 34 15.445 -6.731 0.009
234 HD2 HIS 34 HD2 HIS 34 11.790 -6.918 1.976
235 HE1 HIS 34 HE1 HIS 34 15.684 -8.579 1.697
236 H CYS 35 H CYS 35 13.083 -4.533 2.831
237 HA CYS 35 HA CYS 35 14.124 -1.793 2.941
238 HB2 CYS 35 2HB CYS 35 13.249 -3.778 4.994
239 HB3 CYS 35 3HB CYS 35 14.460 -2.583 5.448
240 H TYR 36 H TYR 36 16.244 -1.376 2.959
241 HA TYR 36 HA TYR 36 18.216 -3.161 3.950
242 HB2 TYR 36 2HB TYR 36 19.334 -3.753 1.885
243 HB3 TYR 36 3HB TYR 36 17.667 -4.312 1.817
244 HD1 TYR 36 HD1 TYR 36 15.980 -2.664 0.659
245 HD2 TYR 36 HD2 TYR 36 20.195 -2.577 0.086
246 HE1 TYR 36 HE1 TYR 36 15.660 -1.469 -1.466
247 HE2 TYR 36 HE2 TYR 36 19.887 -1.380 -2.041
248 HH TYR 36 HH TYR 36 18.393 -0.715 -3.579
Start of MODEL 7
1 H1 GLY 1 H GLY 1 0.138 -0.807 -2.722
2 HA2 GLY 1 2HA GLY 1 2.268 -0.768 -4.733
3 HA3 GLY 1 3HA GLY 1 0.667 -1.278 -5.249
4 H PHE 2 H PHE 2 1.965 1.348 -3.212
5 HA PHE 2 HA PHE 2 0.285 3.215 -4.751
6 HB2 PHE 2 2HB PHE 2 1.317 3.682 -1.955
7 HB3 PHE 2 3HB PHE 2 0.055 4.569 -2.804
8 HD1 PHE 2 HD2 PHE 2 0.885 1.435 -1.078
9 HD2 PHE 2 HD1 PHE 2 -2.188 3.763 -2.882
10 HE1 PHE 2 HE2 PHE 2 -0.814 -0.039 -0.080
11 HE2 PHE 2 HE1 PHE 2 -3.891 2.294 -1.885
12 HZ PHE 2 HZ PHE 2 -3.205 0.389 -0.483
13 H GLY 3 H GLY 3 3.476 2.449 -3.677
14 HA2 GLY 3 2HA GLY 3 4.543 4.583 -5.346
15 HA3 GLY 3 3HA GLY 3 4.960 4.663 -3.641
16 H CYS 4 H CYS 4 6.555 4.174 -6.156
17 HA CYS 4 HA CYS 4 8.460 2.437 -5.095
18 HB2 CYS 4 2HB CYS 4 6.277 1.090 -6.416
19 HB3 CYS 4 3HB CYS 4 7.781 0.807 -7.287
20 HA PRO 5 HA PRO 5 9.544 3.257 -9.725
21 HB2 PRO 5 2HB PRO 5 7.622 4.366 -11.288
22 HB3 PRO 5 3HB PRO 5 7.810 2.620 -11.090
23 HG2 PRO 5 2HG PRO 5 5.892 4.483 -9.744
24 HG3 PRO 5 3HG PRO 5 5.598 2.868 -10.415
25 HD2 PRO 5 2HD PRO 5 5.945 3.304 -7.765
26 HD3 PRO 5 3HD PRO 5 6.461 1.803 -8.562
27 H TRP 6 H TRP 6 7.107 5.605 -8.604
28 HA TRP 6 HA TRP 6 9.125 7.724 -8.957
29 HB2 TRP 6 2HB TRP 6 6.801 9.112 -9.050
30 HB3 TRP 6 3HB TRP 6 7.640 8.511 -10.478
31 HD1 TRP 6 HD1 TRP 6 6.455 6.651 -11.891
32 HE1 TRP 6 HE1 TRP 6 4.132 5.546 -11.783
33 HE3 TRP 6 HE3 TRP 6 4.965 8.340 -7.302
34 HZ2 TRP 6 HZ2 TRP 6 1.957 5.410 -9.990
35 HZ3 TRP 6 HZ3 TRP 6 2.748 7.677 -6.464
36 HH2 TRP 6 HH2 TRP 6 1.277 6.243 -7.782
37 H ASN 7 H ASN 7 6.525 6.423 -6.997
38 HA ASN 7 HA ASN 7 6.912 8.466 -4.955
39 HB2 ASN 7 2HB ASN 7 4.816 6.539 -5.638
40 HB3 ASN 7 3HB ASN 7 5.141 6.626 -3.909
41 HD21 ASN 7 1HD2 ASN 7 3.025 7.496 -3.678
42 HD22 ASN 7 2HD2 ASN 7 2.725 9.165 -4.008
43 H ALA 8 H ALA 8 8.974 6.421 -5.644
44 HA ALA 8 HA ALA 8 9.223 4.379 -3.817
45 HB1 ALA 8 1HB ALA 8 11.614 6.029 -4.523
46 HB2 ALA 8 2HB ALA 8 11.464 4.277 -4.376
47 HB3 ALA 8 3HB ALA 8 10.769 5.109 -5.768
48 H TYR 9 H TYR 9 9.675 7.810 -3.330
49 HA TYR 9 HA TYR 9 11.136 7.855 -0.982
50 HB2 TYR 9 2HB TYR 9 9.641 9.703 -2.498
51 HB3 TYR 9 3HB TYR 9 9.033 9.819 -0.850
52 HD1 TYR 9 HD2 TYR 9 11.955 10.282 -3.018
53 HD2 TYR 9 HD1 TYR 9 10.435 10.649 0.939
54 HE1 TYR 9 HE2 TYR 9 13.892 11.669 -2.409
55 HE2 TYR 9 HE1 TYR 9 12.367 12.039 1.558
56 HH TYR 9 HH TYR 9 14.989 12.671 -0.741
57 H GLU 10 H GLU 10 7.816 6.959 -1.505
58 HA GLU 10 HA GLU 10 6.924 7.175 1.175
59 HB2 GLU 10 2HB GLU 10 5.283 7.074 -0.557
60 HB3 GLU 10 3HB GLU 10 5.934 5.561 -1.173
61 HG2 GLU 10 2HG GLU 10 3.823 5.295 0.076
62 HG3 GLU 10 3HG GLU 10 5.162 4.370 0.753
63 H CYS 11 H CYS 11 7.916 4.334 -0.738
64 HA CYS 11 HA CYS 11 7.836 2.537 1.449
65 HB2 CYS 11 2HB CYS 11 7.900 2.130 -1.164
66 HB3 CYS 11 3HB CYS 11 9.637 2.044 -0.885
67 H ASP 12 H ASP 12 10.210 4.777 0.303
68 HA ASP 12 HA ASP 12 12.473 3.590 1.566
69 HB2 ASP 12 2HB ASP 12 12.954 5.068 -0.213
70 HB3 ASP 12 3HB ASP 12 11.918 6.331 0.448
71 H ARG 13 H ARG 13 10.644 6.549 2.369
72 HA ARG 13 HA ARG 13 11.815 6.966 4.870
73 HB2 ARG 13 2HB ARG 13 9.095 7.755 3.819
74 HB3 ARG 13 3HB ARG 13 9.749 8.321 5.350
75 HG2 ARG 13 2HG ARG 13 11.735 8.834 3.450
76 HG3 ARG 13 3HG ARG 13 10.210 9.302 2.695
77 HD2 ARG 13 2HD ARG 13 9.886 10.343 5.170
78 HD3 ARG 13 3HD ARG 13 11.634 10.479 4.987
79 HE ARG 13 HE ARG 13 11.311 12.113 3.410
80 HH11 ARG 13 1HH1 ARG 13 8.304 10.458 3.991
81 HH12 ARG 13 2HH1 ARG 13 7.359 11.578 3.066
82 HH21 ARG 13 1HH2 ARG 13 10.078 13.594 2.190
83 HH22 ARG 13 2HH2 ARG 13 8.369 13.361 2.042
84 H HIS 14 H HIS 14 9.404 4.719 3.862
85 HA HIS 14 HA HIS 14 8.028 4.251 6.239
86 HB2 HIS 14 2HB HIS 14 7.263 3.266 4.177
87 HB3 HIS 14 3HB HIS 14 8.759 2.354 4.002
88 HD1 HIS 14 HD1 HIS 14 5.411 2.200 5.493
89 HD2 HIS 14 HD2 HIS 14 9.026 0.193 5.900
90 HE1 HIS 14 HE1 HIS 14 4.867 0.077 6.728
91 H CYS 15 H CYS 15 11.080 2.890 5.068
92 HA CYS 15 HA CYS 15 11.411 1.361 7.524
93 HB2 CYS 15 2HB CYS 15 13.218 1.596 5.107
94 HB3 CYS 15 3HB CYS 15 13.436 0.475 6.447
95 H VAL 16 H VAL 16 12.689 4.210 5.937
96 HA VAL 16 HA VAL 16 15.003 4.675 7.364
97 HB VAL 16 HB VAL 16 12.986 6.740 6.470
98 HG11 VAL 16 1HG1 VAL 16 15.303 8.031 6.312
99 HG12 VAL 16 2HG1 VAL 16 14.333 8.020 7.786
100 HG13 VAL 16 3HG1 VAL 16 15.711 6.930 7.627
101 HG21 VAL 16 3HG2 VAL 16 14.471 4.958 4.940
102 HG22 VAL 16 1HG2 VAL 16 13.687 6.434 4.378
103 HG23 VAL 16 2HG2 VAL 16 15.381 6.467 4.868
104 H SER 17 H SER 17 11.686 5.025 8.385
105 HA SER 17 HA SER 17 12.277 6.559 10.733
106 HB2 SER 17 2HB SER 17 9.839 5.496 11.262
107 HB3 SER 17 3HB SER 17 10.083 6.926 10.259
108 HG SER 17 HG SER 17 9.165 4.469 9.566
109 H LYS 18 H LYS 18 11.732 3.148 10.014
110 HA LYS 18 HA LYS 18 11.721 2.238 12.691
111 HB2 LYS 18 2HB LYS 18 12.123 0.942 10.022
112 HB3 LYS 18 3HB LYS 18 12.467 0.028 11.485
113 HG2 LYS 18 2HG LYS 18 10.309 -0.556 11.313
114 HG3 LYS 18 3HG LYS 18 10.030 1.002 12.095
115 HD2 LYS 18 2HD LYS 18 9.034 1.837 10.278
116 HD3 LYS 18 3HD LYS 18 10.315 1.249 9.214
117 HE2 LYS 18 2HE LYS 18 8.598 -0.013 8.422
118 HE3 LYS 18 3HE LYS 18 9.133 -1.076 9.723
119 HZ1 LYS 18 3HZ LYS 18 7.119 -0.925 10.594
120 HZ2 LYS 18 1HZ LYS 18 6.629 0.154 9.386
121 HZ3 LYS 18 2HZ LYS 18 7.324 0.740 10.812
122 H GLY 19 H GLY 19 14.291 2.727 10.326
123 HA2 GLY 19 2HA GLY 19 16.370 3.416 11.783
124 HA3 GLY 19 3HA GLY 19 16.281 1.716 12.219
125 H TYR 20 H TYR 20 15.524 0.676 9.710
126 HA TYR 20 HA TYR 20 17.966 0.194 8.519
127 HB2 TYR 20 2HB TYR 20 15.313 0.147 7.074
128 HB3 TYR 20 3HB TYR 20 16.753 -0.786 6.682
129 HD1 TYR 20 HD2 TYR 20 17.593 -2.413 8.543
130 HD2 TYR 20 HD1 TYR 20 13.654 -0.813 8.381
131 HE1 TYR 20 HE2 TYR 20 16.794 -4.253 9.966
132 HE2 TYR 20 HE1 TYR 20 12.844 -2.648 9.805
133 HH TYR 20 HH TYR 20 15.042 -5.197 10.944
134 H THR 21 H THR 21 18.632 0.736 6.267
135 HA THR 21 HA THR 21 19.051 3.483 5.977
136 HB THR 21 HB THR 21 20.475 1.706 4.953
137 HG1 THR 21 HG1 THR 21 20.911 2.957 3.098
138 HG21 THR 21 3HG2 THR 21 19.834 0.726 2.832
139 HG22 THR 21 1HG2 THR 21 18.298 1.590 2.863
140 HG23 THR 21 2HG2 THR 21 18.625 0.330 4.053
141 H GLY 22 H GLY 22 16.516 1.406 4.759
142 HA2 GLY 22 2HA GLY 22 14.473 3.012 4.425
143 HA3 GLY 22 3HA GLY 22 15.461 3.566 3.082
144 H GLY 23 H GLY 23 12.810 2.286 3.085
145 HA2 GLY 23 2HA GLY 23 13.298 -0.349 1.947
146 HA3 GLY 23 3HA GLY 23 11.730 0.396 2.220
147 H ASN 24 H ASN 24 13.801 -0.612 -0.116
148 HA ASN 24 HA ASN 24 12.691 1.288 -2.077
149 HB2 ASN 24 2HB ASN 24 15.232 -0.187 -2.635
150 HB3 ASN 24 3HB ASN 24 14.689 1.374 -3.242
151 HD21 ASN 24 1HD2 ASN 24 14.109 2.759 -1.014
152 HD22 ASN 24 2HD2 ASN 24 15.521 2.964 -0.039
153 H CYS 25 H CYS 25 12.256 0.431 -4.196
154 HA CYS 25 HA CYS 25 11.427 -2.375 -4.077
155 HB2 CYS 25 2HB CYS 25 10.690 -0.307 -6.153
156 HB3 CYS 25 3HB CYS 25 9.921 -1.868 -5.883
157 H ARG 26 H ARG 26 11.899 -3.842 -5.747
158 HA ARG 26 HA ARG 26 13.798 -3.056 -7.802
159 HB2 ARG 26 2HB ARG 26 14.445 -5.024 -5.611
160 HB3 ARG 26 3HB ARG 26 15.293 -5.016 -7.152
161 HG2 ARG 26 2HG ARG 26 15.154 -2.702 -5.229
162 HG3 ARG 26 3HG ARG 26 16.515 -3.811 -5.406
163 HD2 ARG 26 2HD ARG 26 16.683 -3.123 -7.791
164 HD3 ARG 26 3HD ARG 26 15.429 -1.922 -7.488
165 HE ARG 26 HE ARG 26 17.393 -1.464 -5.608
166 HH11 ARG 26 1HH1 ARG 26 17.155 -1.490 -9.081
167 HH12 ARG 26 2HH1 ARG 26 18.393 -0.298 -9.305
168 HH21 ARG 26 1HH2 ARG 26 19.024 0.105 -5.889
169 HH22 ARG 26 2HH2 ARG 26 19.456 0.608 -7.489
170 H GLY 27 H GLY 27 14.436 -5.175 -9.077
171 HA2 GLY 27 2HA GLY 27 11.888 -6.428 -9.769
172 HA3 GLY 27 3HA GLY 27 13.353 -6.448 -10.739
173 H LYS 28 H LYS 28 13.101 -7.298 -7.326
174 HA LYS 28 HA LYS 28 14.640 -9.582 -7.461
175 HB2 LYS 28 2HB LYS 28 13.374 -10.266 -5.345
176 HB3 LYS 28 3HB LYS 28 14.216 -8.722 -5.315
177 HG2 LYS 28 2HG LYS 28 11.439 -8.546 -6.213
178 HG3 LYS 28 3HG LYS 28 11.633 -9.122 -4.556
179 HD2 LYS 28 2HD LYS 28 13.227 -6.761 -5.401
180 HD3 LYS 28 3HD LYS 28 11.495 -6.536 -5.144
181 HE2 LYS 28 2HE LYS 28 12.732 -6.050 -3.109
182 HE3 LYS 28 3HE LYS 28 11.716 -7.474 -2.890
183 HZ1 LYS 28 3HZ LYS 28 13.552 -8.883 -2.967
184 HZ2 LYS 28 1HZ LYS 28 14.094 -7.578 -2.036
185 HZ3 LYS 28 2HZ LYS 28 14.561 -7.713 -3.656
186 H ILE 29 H ILE 29 11.248 -9.169 -8.179
187 HA ILE 29 HA ILE 29 11.178 -11.796 -9.397
188 HB ILE 29 HB ILE 29 8.971 -12.312 -8.220
189 HG12 ILE 29 2HG1 ILE 29 10.114 -10.300 -6.269
190 HG13 ILE 29 3HG1 ILE 29 8.627 -10.118 -7.193
191 HG21 ILE 29 1HG2 ILE 29 11.350 -12.404 -6.391
192 HG22 ILE 29 2HG2 ILE 29 10.052 -13.583 -6.572
193 HG23 ILE 29 3HG2 ILE 29 11.252 -13.390 -7.850
194 HD11 ILE 29 3HD1 ILE 29 9.141 -12.204 -5.086
195 HD12 ILE 29 1HD1 ILE 29 8.186 -10.735 -4.881
196 HD13 ILE 29 2HD1 ILE 29 7.645 -11.992 -5.995
197 H ARG 30 H ARG 30 9.423 -8.849 -8.535
198 HA ARG 30 HA ARG 30 8.650 -8.295 -11.177
199 HB2 ARG 30 2HB ARG 30 7.141 -10.320 -10.379
200 HB3 ARG 30 3HB ARG 30 6.225 -9.035 -9.603
201 HG2 ARG 30 2HG ARG 30 5.262 -8.481 -11.518
202 HG3 ARG 30 3HG ARG 30 6.826 -8.330 -12.322
203 HD2 ARG 30 2HD ARG 30 5.880 -11.079 -11.808
204 HD3 ARG 30 3HD ARG 30 4.969 -10.153 -13.001
205 HE ARG 30 HE ARG 30 7.629 -9.830 -13.652
206 HH11 ARG 30 1HH1 ARG 30 5.389 -12.477 -13.346
207 HH12 ARG 30 2HH1 ARG 30 6.174 -13.451 -14.545
208 HH21 ARG 30 1HH2 ARG 30 8.671 -11.102 -15.233
209 HH22 ARG 30 2HH2 ARG 30 8.041 -12.668 -15.617
210 H GLN 31 H GLN 31 9.811 -6.624 -9.575
211 HA GLN 31 HA GLN 31 9.711 -4.538 -8.676
212 HB2 GLN 31 2HB GLN 31 7.979 -4.378 -10.623
213 HB3 GLN 31 3HB GLN 31 6.790 -4.372 -9.327
214 HG2 GLN 31 2HG GLN 31 7.065 -2.167 -9.312
215 HG3 GLN 31 3HG GLN 31 8.583 -2.492 -8.478
216 HE21 GLN 31 1HE2 GLN 31 7.087 -1.471 -11.404
217 HE22 GLN 31 2HE2 GLN 31 8.531 -1.034 -12.246
218 H THR 32 H THR 32 9.979 -5.657 -6.616
219 HA THR 32 HA THR 32 7.602 -5.345 -4.900
220 HB THR 32 HB THR 32 9.792 -7.396 -4.529
221 HG1 THR 32 HG1 THR 32 8.254 -7.742 -6.323
222 HG21 THR 32 3HG2 THR 32 8.986 -7.035 -2.396
223 HG22 THR 32 1HG2 THR 32 7.900 -8.304 -2.961
224 HG23 THR 32 2HG2 THR 32 7.368 -6.622 -2.963
225 H CYS 33 H CYS 33 7.930 -4.540 -2.813
226 HA CYS 33 HA CYS 33 10.198 -2.782 -2.561
227 HB2 CYS 33 2HB CYS 33 7.704 -2.412 -1.820
228 HB3 CYS 33 3HB CYS 33 8.225 -3.233 -0.353
229 H HIS 34 H HIS 34 11.663 -2.747 -0.785
230 HA HIS 34 HA HIS 34 11.805 -4.970 1.029
231 HB2 HIS 34 2HB HIS 34 12.759 -5.922 -1.073
232 HB3 HIS 34 3HB HIS 34 14.005 -4.678 -1.026
233 HD1 HIS 34 HD1 HIS 34 15.882 -6.427 -0.774
234 HD2 HIS 34 HD2 HIS 34 13.072 -6.510 2.285
235 HE1 HIS 34 HE1 HIS 34 16.892 -7.861 1.028
236 H CYS 35 H CYS 35 13.080 -4.543 2.791
237 HA CYS 35 HA CYS 35 14.228 -1.843 2.889
238 HB2 CYS 35 2HB CYS 35 13.184 -3.710 5.008
239 HB3 CYS 35 3HB CYS 35 14.191 -2.326 5.420
240 H TYR 36 H TYR 36 16.355 -1.557 2.997
241 HA TYR 36 HA TYR 36 18.057 -3.912 3.391
242 HB2 TYR 36 2HB TYR 36 18.827 -1.191 2.319
243 HB3 TYR 36 3HB TYR 36 19.811 -2.650 2.295
244 HD1 TYR 36 HD1 TYR 36 18.693 -4.703 1.049
245 HD2 TYR 36 HD2 TYR 36 17.657 -0.626 0.410
246 HE1 TYR 36 HE1 TYR 36 17.779 -5.287 -1.159
247 HE2 TYR 36 HE2 TYR 36 16.738 -1.199 -1.798
248 HH TYR 36 HH TYR 36 15.819 -3.211 -2.944
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.913 -2.197 -5.565
2 HA2 GLY 1 2HA GLY 1 0.471 -1.689 -3.326
3 HA3 GLY 1 3HA GLY 1 2.114 -1.104 -3.539
4 H PHE 2 H PHE 2 2.477 1.043 -4.074
5 HA PHE 2 HA PHE 2 0.533 2.889 -4.863
6 HB2 PHE 2 2HB PHE 2 0.423 4.133 -2.600
7 HB3 PHE 2 3HB PHE 2 -0.610 2.726 -2.826
8 HD1 PHE 2 HD2 PHE 2 2.884 3.413 -1.695
9 HD2 PHE 2 HD1 PHE 2 -0.765 1.325 -1.028
10 HE1 PHE 2 HE2 PHE 2 3.842 2.392 0.328
11 HE2 PHE 2 HE1 PHE 2 0.187 0.301 0.997
12 HZ PHE 2 HZ PHE 2 2.494 0.833 1.676
13 H GLY 3 H GLY 3 3.297 2.225 -5.312
14 HA2 GLY 3 2HA GLY 3 4.524 4.485 -5.937
15 HA3 GLY 3 3HA GLY 3 4.795 4.472 -4.201
16 H CYS 4 H CYS 4 6.600 4.209 -6.619
17 HA CYS 4 HA CYS 4 8.515 2.519 -5.507
18 HB2 CYS 4 2HB CYS 4 6.505 1.128 -7.038
19 HB3 CYS 4 3HB CYS 4 8.077 0.966 -7.814
20 HA PRO 5 HA PRO 5 9.869 3.620 -10.006
21 HB2 PRO 5 2HB PRO 5 8.003 4.710 -11.648
22 HB3 PRO 5 3HB PRO 5 8.267 2.968 -11.519
23 HG2 PRO 5 2HG PRO 5 6.168 4.666 -10.226
24 HG3 PRO 5 3HG PRO 5 6.005 3.074 -10.991
25 HD2 PRO 5 2HD PRO 5 6.147 3.392 -8.305
26 HD3 PRO 5 3HD PRO 5 6.794 1.961 -9.133
27 H TRP 6 H TRP 6 7.241 5.787 -8.954
28 HA TRP 6 HA TRP 6 9.165 8.018 -9.069
29 HB2 TRP 6 2HB TRP 6 6.784 9.294 -9.250
30 HB3 TRP 6 3HB TRP 6 7.737 8.802 -10.647
31 HD1 TRP 6 HD1 TRP 6 6.737 6.955 -12.213
32 HE1 TRP 6 HE1 TRP 6 4.471 5.738 -12.302
33 HE3 TRP 6 HE3 TRP 6 4.884 8.356 -7.659
34 HZ2 TRP 6 HZ2 TRP 6 2.198 5.415 -10.659
35 HZ3 TRP 6 HZ3 TRP 6 2.656 7.550 -6.993
36 HH2 TRP 6 HH2 TRP 6 1.343 6.111 -8.464
37 H ASN 7 H ASN 7 6.522 6.490 -7.345
38 HA ASN 7 HA ASN 7 6.667 8.446 -5.190
39 HB2 ASN 7 2HB ASN 7 4.726 6.459 -6.102
40 HB3 ASN 7 3HB ASN 7 4.944 6.450 -4.355
41 HD21 ASN 7 1HD2 ASN 7 2.795 7.207 -4.159
42 HD22 ASN 7 2HD2 ASN 7 2.416 8.872 -4.420
43 H ALA 8 H ALA 8 8.855 6.496 -5.864
44 HA ALA 8 HA ALA 8 9.090 4.412 -4.078
45 HB1 ALA 8 1HB ALA 8 10.894 6.001 -5.690
46 HB2 ALA 8 2HB ALA 8 11.646 5.480 -4.182
47 HB3 ALA 8 3HB ALA 8 10.957 4.286 -5.282
48 H TYR 9 H TYR 9 9.467 7.847 -3.506
49 HA TYR 9 HA TYR 9 10.809 7.852 -1.086
50 HB2 TYR 9 2HB TYR 9 9.626 9.760 -2.648
51 HB3 TYR 9 3HB TYR 9 8.580 9.766 -1.233
52 HD1 TYR 9 HD1 TYR 9 12.254 9.641 -1.950
53 HD2 TYR 9 HD2 TYR 9 9.115 11.300 0.395
54 HE1 TYR 9 HE1 TYR 9 13.891 11.034 -0.755
55 HE2 TYR 9 HE2 TYR 9 10.743 12.699 1.595
56 HH TYR 9 HH TYR 9 13.626 12.270 1.951
57 H GLU 10 H GLU 10 7.529 6.947 -1.797
58 HA GLU 10 HA GLU 10 6.516 7.105 0.852
59 HB2 GLU 10 2HB GLU 10 4.954 7.086 -0.957
60 HB3 GLU 10 3HB GLU 10 5.606 5.580 -1.586
61 HG2 GLU 10 2HG GLU 10 4.226 4.386 -0.339
62 HG3 GLU 10 3HG GLU 10 4.736 5.225 1.124
63 H CYS 11 H CYS 11 7.863 4.455 -1.082
64 HA CYS 11 HA CYS 11 7.558 2.511 0.997
65 HB2 CYS 11 2HB CYS 11 7.742 2.143 -1.567
66 HB3 CYS 11 3HB CYS 11 9.479 2.236 -1.298
67 H ASP 12 H ASP 12 9.959 4.845 0.141
68 HA ASP 12 HA ASP 12 12.149 3.628 1.509
69 HB2 ASP 12 2HB ASP 12 12.653 5.214 -0.211
70 HB3 ASP 12 3HB ASP 12 11.656 6.449 0.551
71 H ARG 13 H ARG 13 10.081 6.424 2.307
72 HA ARG 13 HA ARG 13 11.089 6.892 4.860
73 HB2 ARG 13 2HB ARG 13 8.483 7.482 3.512
74 HB3 ARG 13 3HB ARG 13 8.644 7.783 5.237
75 HG2 ARG 13 2HG ARG 13 10.914 8.885 3.942
76 HG3 ARG 13 3HG ARG 13 9.470 9.408 3.072
77 HD2 ARG 13 2HD ARG 13 8.514 10.320 5.059
78 HD3 ARG 13 3HD ARG 13 9.772 9.598 6.061
79 HE ARG 13 HE ARG 13 11.137 11.213 4.349
80 HH11 ARG 13 1HH1 ARG 13 8.491 11.685 6.562
81 HH12 ARG 13 2HH1 ARG 13 8.895 13.336 6.898
82 HH21 ARG 13 1HH2 ARG 13 11.679 13.386 4.783
83 HH22 ARG 13 2HH2 ARG 13 10.708 14.303 5.884
84 H HIS 14 H HIS 14 8.987 4.408 3.711
85 HA HIS 14 HA HIS 14 7.641 3.711 6.060
86 HB2 HIS 14 2HB HIS 14 7.064 2.792 3.856
87 HB3 HIS 14 3HB HIS 14 8.582 1.899 3.827
88 HD1 HIS 14 HD1 HIS 14 5.109 1.632 4.871
89 HD2 HIS 14 HD2 HIS 14 8.712 -0.155 5.911
90 HE1 HIS 14 HE1 HIS 14 4.486 -0.463 6.115
91 H CYS 15 H CYS 15 10.791 2.660 4.819
92 HA CYS 15 HA CYS 15 11.278 1.097 7.226
93 HB2 CYS 15 2HB CYS 15 12.982 1.534 4.764
94 HB3 CYS 15 3HB CYS 15 13.385 0.450 6.092
95 H VAL 16 H VAL 16 12.458 4.007 5.620
96 HA VAL 16 HA VAL 16 14.676 4.598 7.148
97 HB VAL 16 HB VAL 16 12.635 6.549 6.073
98 HG11 VAL 16 1HG1 VAL 16 14.006 7.632 7.730
99 HG12 VAL 16 2HG1 VAL 16 15.473 6.976 7.000
100 HG13 VAL 16 3HG1 VAL 16 14.508 8.169 6.128
101 HG21 VAL 16 3HG2 VAL 16 13.473 6.187 4.043
102 HG22 VAL 16 1HG2 VAL 16 15.126 6.369 4.631
103 HG23 VAL 16 2HG2 VAL 16 14.329 4.798 4.713
104 H SER 17 H SER 17 11.301 4.855 7.988
105 HA SER 17 HA SER 17 11.665 6.510 10.283
106 HB2 SER 17 2HB SER 17 9.493 5.820 8.850
107 HB3 SER 17 3HB SER 17 9.336 4.671 10.178
108 HG SER 17 HG SER 17 9.632 6.582 11.573
109 H LYS 18 H LYS 18 11.580 3.043 9.710
110 HA LYS 18 HA LYS 18 11.520 2.278 12.449
111 HB2 LYS 18 2HB LYS 18 12.095 0.885 9.865
112 HB3 LYS 18 3HB LYS 18 12.510 0.086 11.375
113 HG2 LYS 18 2HG LYS 18 10.423 -0.718 11.225
114 HG3 LYS 18 3HG LYS 18 9.980 0.846 11.914
115 HD2 LYS 18 2HD LYS 18 8.882 1.425 10.064
116 HD3 LYS 18 3HD LYS 18 10.270 1.026 9.048
117 HE2 LYS 18 2HE LYS 18 8.491 -0.359 8.326
118 HE3 LYS 18 3HE LYS 18 9.577 -1.389 9.257
119 HZ1 LYS 18 3HZ LYS 18 7.207 -0.108 10.480
120 HZ2 LYS 18 1HZ LYS 18 8.112 -1.415 11.062
121 HZ3 LYS 18 2HZ LYS 18 7.113 -1.612 9.712
122 H GLY 19 H GLY 19 14.094 2.904 10.128
123 HA2 GLY 19 2HA GLY 19 16.089 3.875 11.433
124 HA3 GLY 19 3HA GLY 19 16.087 2.299 12.210
125 H TYR 20 H TYR 20 15.191 1.196 9.483
126 HA TYR 20 HA TYR 20 17.753 0.361 8.633
127 HB2 TYR 20 2HB TYR 20 15.029 0.153 7.349
128 HB3 TYR 20 3HB TYR 20 16.476 -0.558 6.643
129 HD1 TYR 20 HD2 TYR 20 17.856 -2.092 8.317
130 HD2 TYR 20 HD1 TYR 20 13.720 -1.173 8.712
131 HE1 TYR 20 HE2 TYR 20 17.547 -4.103 9.699
132 HE2 TYR 20 HE1 TYR 20 13.400 -3.181 10.096
133 HH TYR 20 HH TYR 20 15.880 -5.576 10.460
134 H THR 21 H THR 21 18.012 0.463 6.011
135 HA THR 21 HA THR 21 18.868 3.125 5.510
136 HB THR 21 HB THR 21 18.652 0.775 3.619
137 HG1 THR 21 HG1 THR 21 20.152 0.336 5.204
138 HG21 THR 21 3HG2 THR 21 19.919 3.489 3.316
139 HG22 THR 21 1HG2 THR 21 18.746 2.707 2.257
140 HG23 THR 21 2HG2 THR 21 20.402 2.104 2.338
141 H GLY 22 H GLY 22 16.229 1.137 4.194
142 HA2 GLY 22 2HA GLY 22 14.230 2.888 3.995
143 HA3 GLY 22 3HA GLY 22 15.236 3.395 2.646
144 H GLY 23 H GLY 23 12.498 2.168 2.807
145 HA2 GLY 23 2HA GLY 23 12.790 -0.457 1.647
146 HA3 GLY 23 3HA GLY 23 11.289 0.433 1.856
147 H ASN 24 H ASN 24 13.798 -0.442 -0.304
148 HA ASN 24 HA ASN 24 12.684 1.319 -2.383
149 HB2 ASN 24 2HB ASN 24 15.268 -0.156 -2.726
150 HB3 ASN 24 3HB ASN 24 14.755 1.374 -3.431
151 HD21 ASN 24 1HD2 ASN 24 13.977 2.801 -1.265
152 HD22 ASN 24 2HD2 ASN 24 15.322 3.074 -0.216
153 H CYS 25 H CYS 25 12.357 0.445 -4.503
154 HA CYS 25 HA CYS 25 11.552 -2.368 -4.415
155 HB2 CYS 25 2HB CYS 25 10.918 -0.348 -6.568
156 HB3 CYS 25 3HB CYS 25 10.122 -1.890 -6.274
157 H ARG 26 H ARG 26 12.176 -3.859 -5.988
158 HA ARG 26 HA ARG 26 14.160 -3.063 -7.964
159 HB2 ARG 26 2HB ARG 26 14.710 -4.993 -5.714
160 HB3 ARG 26 3HB ARG 26 15.640 -4.997 -7.206
161 HG2 ARG 26 2HG ARG 26 15.352 -2.604 -5.405
162 HG3 ARG 26 3HG ARG 26 16.697 -3.744 -5.341
163 HD2 ARG 26 2HD ARG 26 16.532 -3.069 -8.016
164 HD3 ARG 26 3HD ARG 26 16.194 -1.553 -7.181
165 HE ARG 26 HE ARG 26 18.383 -2.463 -5.899
166 HH11 ARG 26 1HH1 ARG 26 17.626 -2.017 -9.267
167 HH12 ARG 26 2HH1 ARG 26 19.264 -1.694 -9.728
168 HH21 ARG 26 1HH2 ARG 26 20.545 -2.040 -6.492
169 HH22 ARG 26 2HH2 ARG 26 20.924 -1.708 -8.148
170 H GLY 27 H GLY 27 14.898 -5.188 -9.175
171 HA2 GLY 27 2HA GLY 27 12.411 -6.483 -9.995
172 HA3 GLY 27 3HA GLY 27 13.930 -6.497 -10.878
173 H LYS 28 H LYS 28 13.512 -7.300 -7.472
174 HA LYS 28 HA LYS 28 15.075 -9.572 -7.495
175 HB2 LYS 28 2HB LYS 28 13.705 -10.237 -5.436
176 HB3 LYS 28 3HB LYS 28 14.535 -8.687 -5.386
177 HG2 LYS 28 2HG LYS 28 11.805 -8.546 -6.427
178 HG3 LYS 28 3HG LYS 28 11.920 -9.092 -4.752
179 HD2 LYS 28 2HD LYS 28 13.543 -6.737 -5.550
180 HD3 LYS 28 3HD LYS 28 11.798 -6.516 -5.399
181 HE2 LYS 28 2HE LYS 28 12.538 -6.020 -3.266
182 HE3 LYS 28 3HE LYS 28 12.104 -7.722 -3.120
183 HZ1 LYS 28 3HZ LYS 28 14.340 -8.363 -3.183
184 HZ2 LYS 28 1HZ LYS 28 14.315 -7.021 -2.153
185 HZ3 LYS 28 2HZ LYS 28 14.863 -6.856 -3.744
186 H ILE 29 H ILE 29 11.714 -9.206 -8.377
187 HA ILE 29 HA ILE 29 11.733 -11.846 -9.569
188 HB ILE 29 HB ILE 29 9.482 -12.379 -8.488
189 HG12 ILE 29 2HG1 ILE 29 10.509 -10.334 -6.508
190 HG13 ILE 29 3HG1 ILE 29 9.064 -10.179 -7.501
191 HG21 ILE 29 1HG2 ILE 29 11.756 -13.424 -8.004
192 HG22 ILE 29 2HG2 ILE 29 11.779 -12.420 -6.556
193 HG23 ILE 29 3HG2 ILE 29 10.504 -13.619 -6.777
194 HD11 ILE 29 3HD1 ILE 29 9.539 -11.836 -5.083
195 HD12 ILE 29 1HD1 ILE 29 8.155 -10.833 -5.515
196 HD13 ILE 29 2HD1 ILE 29 8.384 -12.401 -6.290
197 H ARG 30 H ARG 30 9.907 -8.912 -8.821
198 HA ARG 30 HA ARG 30 9.245 -8.396 -11.500
199 HB2 ARG 30 2HB ARG 30 6.773 -8.776 -11.350
200 HB3 ARG 30 3HB ARG 30 7.733 -10.248 -11.394
201 HG2 ARG 30 2HG ARG 30 7.394 -10.657 -9.095
202 HG3 ARG 30 3HG ARG 30 6.751 -9.035 -8.829
203 HD2 ARG 30 2HD ARG 30 5.408 -10.932 -10.719
204 HD3 ARG 30 3HD ARG 30 5.109 -11.025 -8.984
205 HE ARG 30 HE ARG 30 4.677 -8.420 -9.522
206 HH11 ARG 30 1HH1 ARG 30 3.507 -11.361 -10.971
207 HH12 ARG 30 2HH1 ARG 30 1.992 -10.674 -11.455
208 HH21 ARG 30 1HH2 ARG 30 2.686 -7.504 -10.153
209 HH22 ARG 30 2HH2 ARG 30 1.526 -8.480 -10.990
210 H GLN 31 H GLN 31 10.313 -6.696 -9.863
211 HA GLN 31 HA GLN 31 10.147 -4.601 -8.993
212 HB2 GLN 31 2HB GLN 31 8.553 -4.429 -11.017
213 HB3 GLN 31 3HB GLN 31 7.260 -4.531 -9.830
214 HG2 GLN 31 2HG GLN 31 7.505 -2.407 -9.236
215 HG3 GLN 31 3HG GLN 31 9.255 -2.564 -9.098
216 HE21 GLN 31 1HE2 GLN 31 9.525 -0.512 -10.018
217 HE22 GLN 31 2HE2 GLN 31 9.332 -0.249 -11.715
218 H THR 32 H THR 32 10.331 -5.710 -6.913
219 HA THR 32 HA THR 32 7.876 -5.409 -5.310
220 HB THR 32 HB THR 32 10.076 -7.432 -4.849
221 HG1 THR 32 HG1 THR 32 8.589 -7.831 -6.657
222 HG21 THR 32 3HG2 THR 32 9.206 -6.960 -2.736
223 HG22 THR 32 1HG2 THR 32 8.252 -8.346 -3.263
224 HG23 THR 32 2HG2 THR 32 7.573 -6.721 -3.356
225 H CYS 33 H CYS 33 8.083 -4.539 -3.244
226 HA CYS 33 HA CYS 33 10.331 -2.772 -2.899
227 HB2 CYS 33 2HB CYS 33 7.675 -2.672 -2.174
228 HB3 CYS 33 3HB CYS 33 8.477 -3.005 -0.642
229 H HIS 34 H HIS 34 11.693 -2.695 -1.046
230 HA HIS 34 HA HIS 34 11.728 -4.872 0.828
231 HB2 HIS 34 2HB HIS 34 12.824 -5.764 -1.305
232 HB3 HIS 34 3HB HIS 34 14.135 -4.635 -0.973
233 HD1 HIS 34 HD1 HIS 34 15.434 -5.039 1.337
234 HD2 HIS 34 HD2 HIS 34 12.953 -8.123 0.072
235 HE1 HIS 34 HE1 HIS 34 16.143 -7.057 2.659
236 H CYS 35 H CYS 35 12.795 -4.340 2.671
237 HA CYS 35 HA CYS 35 13.929 -1.647 2.779
238 HB2 CYS 35 2HB CYS 35 12.902 -3.550 4.877
239 HB3 CYS 35 3HB CYS 35 13.829 -2.115 5.305
240 H TYR 36 H TYR 36 16.027 -1.242 3.128
241 HA TYR 36 HA TYR 36 17.791 -3.547 3.627
242 HB2 TYR 36 2HB TYR 36 18.574 -0.937 2.326
243 HB3 TYR 36 3HB TYR 36 19.507 -2.428 2.385
244 HD1 TYR 36 HD1 TYR 36 16.551 -0.800 0.888
245 HD2 TYR 36 HD2 TYR 36 19.146 -4.171 0.800
246 HE1 TYR 36 HE1 TYR 36 15.580 -1.483 -1.266
247 HE2 TYR 36 HE2 TYR 36 18.183 -4.863 -1.356
248 HH TYR 36 HH TYR 36 16.908 -3.418 -3.351
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -0.431 1.131 1.375
2 HA2 GLY 1 2HA GLY 1 1.644 2.189 0.804
3 HA3 GLY 1 3HA GLY 1 2.087 0.748 -0.100
4 H PHE 2 H PHE 2 2.571 2.755 -1.557
5 HA PHE 2 HA PHE 2 0.876 2.614 -3.772
6 HB2 PHE 2 2HB PHE 2 0.123 5.086 -3.685
7 HB3 PHE 2 3HB PHE 2 -0.777 3.907 -2.735
8 HD1 PHE 2 HD2 PHE 2 2.256 6.044 -2.298
9 HD2 PHE 2 HD1 PHE 2 -1.389 4.595 -0.644
10 HE1 PHE 2 HE2 PHE 2 2.644 7.386 -0.273
11 HE2 PHE 2 HE1 PHE 2 -1.006 5.936 1.383
12 HZ PHE 2 HZ PHE 2 1.013 7.333 1.571
13 H GLY 3 H GLY 3 3.670 2.572 -3.093
14 HA2 GLY 3 2HA GLY 3 4.602 4.454 -5.106
15 HA3 GLY 3 3HA GLY 3 5.271 4.673 -3.496
16 H CYS 4 H CYS 4 6.424 3.804 -6.158
17 HA CYS 4 HA CYS 4 8.377 2.063 -5.196
18 HB2 CYS 4 2HB CYS 4 5.945 0.737 -5.985
19 HB3 CYS 4 3HB CYS 4 7.260 0.261 -7.054
20 HA PRO 5 HA PRO 5 8.758 2.288 -10.000
21 HB2 PRO 5 2HB PRO 5 6.675 3.354 -11.377
22 HB3 PRO 5 3HB PRO 5 6.798 1.631 -11.002
23 HG2 PRO 5 2HG PRO 5 5.221 3.764 -9.615
24 HG3 PRO 5 3HG PRO 5 4.738 2.111 -10.036
25 HD2 PRO 5 2HD PRO 5 5.522 2.809 -7.540
26 HD3 PRO 5 3HD PRO 5 5.824 1.197 -8.220
27 H TRP 6 H TRP 6 6.688 4.909 -8.763
28 HA TRP 6 HA TRP 6 8.728 6.827 -9.683
29 HB2 TRP 6 2HB TRP 6 6.491 8.359 -9.585
30 HB3 TRP 6 3HB TRP 6 7.073 7.561 -11.044
31 HD1 TRP 6 HD1 TRP 6 5.606 5.630 -12.045
32 HE1 TRP 6 HE1 TRP 6 3.269 4.706 -11.485
33 HE3 TRP 6 HE3 TRP 6 4.888 7.921 -7.531
34 HZ2 TRP 6 HZ2 TRP 6 1.373 4.922 -9.405
35 HZ3 TRP 6 HZ3 TRP 6 2.786 7.510 -6.321
36 HH2 TRP 6 HH2 TRP 6 1.065 6.042 -7.241
37 H ASN 7 H ASN 7 6.346 5.989 -7.236
38 HA ASN 7 HA ASN 7 7.194 8.185 -5.523
39 HB2 ASN 7 2HB ASN 7 4.897 6.357 -5.644
40 HB3 ASN 7 3HB ASN 7 5.476 6.670 -4.010
41 HD21 ASN 7 1HD2 ASN 7 3.399 7.692 -3.724
42 HD22 ASN 7 2HD2 ASN 7 3.179 9.329 -4.232
43 H ALA 8 H ALA 8 9.401 7.360 -5.349
44 HA ALA 8 HA ALA 8 9.852 4.890 -3.936
45 HB1 ALA 8 1HB ALA 8 11.398 5.894 -5.669
46 HB2 ALA 8 2HB ALA 8 11.879 7.054 -4.431
47 HB3 ALA 8 3HB ALA 8 12.157 5.331 -4.180
48 H TYR 9 H TYR 9 9.548 8.266 -3.140
49 HA TYR 9 HA TYR 9 10.817 8.321 -0.655
50 HB2 TYR 9 2HB TYR 9 9.165 10.055 -2.183
51 HB3 TYR 9 3HB TYR 9 8.484 9.973 -0.562
52 HD1 TYR 9 HD2 TYR 9 11.782 10.416 -2.262
53 HD2 TYR 9 HD1 TYR 9 9.303 11.413 1.050
54 HE1 TYR 9 HE2 TYR 9 13.486 12.004 -1.472
55 HE2 TYR 9 HE1 TYR 9 11.000 13.004 1.849
56 HH TYR 9 HH TYR 9 13.067 13.791 1.562
57 H GLU 10 H GLU 10 7.737 7.021 -1.612
58 HA GLU 10 HA GLU 10 6.596 6.859 0.991
59 HB2 GLU 10 2HB GLU 10 5.190 6.800 -0.994
60 HB3 GLU 10 3HB GLU 10 5.975 5.323 -1.537
61 HG2 GLU 10 2HG GLU 10 3.774 4.907 -0.552
62 HG3 GLU 10 3HG GLU 10 5.068 4.102 0.334
63 H CYS 11 H CYS 11 7.797 4.256 -1.137
64 HA CYS 11 HA CYS 11 7.854 2.286 0.862
65 HB2 CYS 11 2HB CYS 11 8.041 2.118 -1.754
66 HB3 CYS 11 3HB CYS 11 9.771 2.206 -1.437
67 H ASP 12 H ASP 12 10.141 4.752 -0.037
68 HA ASP 12 HA ASP 12 12.392 3.633 1.306
69 HB2 ASP 12 2HB ASP 12 12.850 5.224 -0.399
70 HB3 ASP 12 3HB ASP 12 11.757 6.408 0.312
71 H ARG 13 H ARG 13 10.446 6.513 2.122
72 HA ARG 13 HA ARG 13 11.427 6.840 4.706
73 HB2 ARG 13 2HB ARG 13 8.747 7.580 3.526
74 HB3 ARG 13 3HB ARG 13 9.284 8.097 5.119
75 HG2 ARG 13 2HG ARG 13 11.282 8.692 3.136
76 HG3 ARG 13 3HG ARG 13 9.720 9.378 2.684
77 HD2 ARG 13 2HD ARG 13 10.674 9.691 5.489
78 HD3 ARG 13 3HD ARG 13 11.392 10.696 4.230
79 HE ARG 13 HE ARG 13 8.522 10.704 4.198
80 HH11 ARG 13 1HH1 ARG 13 11.365 12.134 5.609
81 HH12 ARG 13 2HH1 ARG 13 10.573 13.619 6.022
82 HH21 ARG 13 1HH2 ARG 13 7.468 12.653 4.736
83 HH22 ARG 13 2HH2 ARG 13 8.355 13.913 5.525
84 H HIS 14 H HIS 14 9.159 4.562 3.459
85 HA HIS 14 HA HIS 14 7.663 3.936 5.721
86 HB2 HIS 14 2HB HIS 14 7.105 3.023 3.545
87 HB3 HIS 14 3HB HIS 14 8.621 2.128 3.493
88 HD1 HIS 14 HD1 HIS 14 5.153 1.934 4.702
89 HD2 HIS 14 HD2 HIS 14 8.727 -0.091 5.320
90 HE1 HIS 14 HE1 HIS 14 4.517 -0.224 5.826
91 H CYS 15 H CYS 15 10.825 2.715 4.687
92 HA CYS 15 HA CYS 15 11.065 1.121 7.112
93 HB2 CYS 15 2HB CYS 15 12.989 1.480 4.804
94 HB3 CYS 15 3HB CYS 15 13.177 0.332 6.125
95 H VAL 16 H VAL 16 12.363 4.042 5.673
96 HA VAL 16 HA VAL 16 14.571 4.528 7.249
97 HB VAL 16 HB VAL 16 12.562 6.583 6.315
98 HG11 VAL 16 1HG1 VAL 16 15.278 6.767 7.518
99 HG12 VAL 16 2HG1 VAL 16 14.823 7.933 6.274
100 HG13 VAL 16 3HG1 VAL 16 13.867 7.798 7.751
101 HG21 VAL 16 3HG2 VAL 16 14.900 6.533 4.719
102 HG22 VAL 16 1HG2 VAL 16 14.308 4.877 4.852
103 HG23 VAL 16 2HG2 VAL 16 13.245 6.148 4.247
104 H SER 17 H SER 17 11.192 4.771 8.078
105 HA SER 17 HA SER 17 11.605 6.252 10.497
106 HB2 SER 17 2HB SER 17 9.455 6.207 9.160
107 HB3 SER 17 3HB SER 17 9.193 4.577 9.780
108 HG SER 17 HG SER 17 8.195 5.771 11.260
109 H LYS 18 H LYS 18 11.302 2.861 9.628
110 HA LYS 18 HA LYS 18 11.119 1.874 12.289
111 HB2 LYS 18 2HB LYS 18 11.672 0.663 9.609
112 HB3 LYS 18 3HB LYS 18 11.976 -0.285 11.058
113 HG2 LYS 18 2HG LYS 18 9.843 -0.914 10.797
114 HG3 LYS 18 3HG LYS 18 9.488 0.627 11.580
115 HD2 LYS 18 2HD LYS 18 8.541 1.444 9.731
116 HD3 LYS 18 3HD LYS 18 9.899 0.933 8.726
117 HE2 LYS 18 2HE LYS 18 8.091 -0.261 7.866
118 HE3 LYS 18 3HE LYS 18 8.895 -1.422 8.922
119 HZ1 LYS 18 3HZ LYS 18 6.317 -0.080 9.257
120 HZ2 LYS 18 1HZ LYS 18 7.208 -0.432 10.651
121 HZ3 LYS 18 2HZ LYS 18 6.755 -1.677 9.600
122 H GLY 19 H GLY 19 13.788 2.510 10.080
123 HA2 GLY 19 2HA GLY 19 15.778 3.190 11.652
124 HA3 GLY 19 3HA GLY 19 15.705 1.477 12.039
125 H TYR 20 H TYR 20 15.097 0.489 9.469
126 HA TYR 20 HA TYR 20 17.605 0.091 8.390
127 HB2 TYR 20 2HB TYR 20 15.030 0.026 6.811
128 HB3 TYR 20 3HB TYR 20 16.508 -0.866 6.471
129 HD1 TYR 20 HD1 TYR 20 17.276 -2.564 8.268
130 HD2 TYR 20 HD2 TYR 20 13.339 -0.962 8.070
131 HE1 TYR 20 HE1 TYR 20 16.446 -4.456 9.603
132 HE2 TYR 20 HE2 TYR 20 12.498 -2.849 9.405
133 HH TYR 20 HH TYR 20 14.577 -5.552 10.279
134 H THR 21 H THR 21 18.374 0.709 6.193
135 HA THR 21 HA THR 21 18.754 3.466 5.992
136 HB THR 21 HB THR 21 20.243 1.735 4.978
137 HG1 THR 21 HG1 THR 21 20.935 3.219 3.596
138 HG21 THR 21 3HG2 THR 21 18.158 0.579 3.902
139 HG22 THR 21 1HG2 THR 21 19.706 0.566 3.058
140 HG23 THR 21 2HG2 THR 21 18.453 1.713 2.584
141 H GLY 22 H GLY 22 16.301 1.391 4.614
142 HA2 GLY 22 2HA GLY 22 14.250 2.979 4.240
143 HA3 GLY 22 3HA GLY 22 15.285 3.583 2.954
144 H GLY 23 H GLY 23 12.660 2.291 2.782
145 HA2 GLY 23 2HA GLY 23 13.211 -0.321 1.626
146 HA3 GLY 23 3HA GLY 23 11.631 0.426 1.813
147 H ASN 24 H ASN 24 13.758 -0.606 -0.422
148 HA ASN 24 HA ASN 24 12.834 1.368 -2.405
149 HB2 ASN 24 2HB ASN 24 15.342 -0.190 -2.868
150 HB3 ASN 24 3HB ASN 24 14.893 1.410 -3.453
151 HD21 ASN 24 1HD2 ASN 24 14.261 2.757 -1.218
152 HD22 ASN 24 2HD2 ASN 24 15.628 2.874 -0.168
153 H CYS 25 H CYS 25 12.235 0.595 -4.442
154 HA CYS 25 HA CYS 25 11.626 -2.280 -4.499
155 HB2 CYS 25 2HB CYS 25 10.392 -0.115 -6.207
156 HB3 CYS 25 3HB CYS 25 9.822 -1.768 -5.999
157 H ARG 26 H ARG 26 12.243 -3.560 -6.188
158 HA ARG 26 HA ARG 26 13.621 -2.340 -8.458
159 HB2 ARG 26 2HB ARG 26 14.876 -4.607 -6.912
160 HB3 ARG 26 3HB ARG 26 15.583 -3.683 -8.231
161 HG2 ARG 26 2HG ARG 26 15.189 -1.677 -6.550
162 HG3 ARG 26 3HG ARG 26 15.283 -2.983 -5.367
163 HD2 ARG 26 2HD ARG 26 17.388 -3.507 -7.070
164 HD3 ARG 26 3HD ARG 26 17.381 -1.747 -6.960
165 HE ARG 26 HE ARG 26 17.159 -2.614 -4.374
166 HH11 ARG 26 1HH1 ARG 26 19.420 -3.112 -6.974
167 HH12 ARG 26 2HH1 ARG 26 20.780 -3.334 -5.924
168 HH21 ARG 26 1HH2 ARG 26 18.942 -2.903 -2.981
169 HH22 ARG 26 2HH2 ARG 26 20.507 -3.215 -3.652
170 H GLY 27 H GLY 27 14.529 -4.509 -9.767
171 HA2 GLY 27 2HA GLY 27 12.035 -5.873 -10.451
172 HA3 GLY 27 3HA GLY 27 13.493 -5.823 -11.430
173 H LYS 28 H LYS 28 13.607 -6.605 -8.036
174 HA LYS 28 HA LYS 28 15.097 -8.911 -8.318
175 HB2 LYS 28 2HB LYS 28 14.204 -9.499 -6.009
176 HB3 LYS 28 3HB LYS 28 14.990 -7.934 -6.169
177 HG2 LYS 28 2HG LYS 28 12.206 -7.623 -6.698
178 HG3 LYS 28 3HG LYS 28 12.413 -8.504 -5.182
179 HD2 LYS 28 2HD LYS 28 13.736 -5.882 -5.882
180 HD3 LYS 28 3HD LYS 28 12.327 -6.072 -4.835
181 HE2 LYS 28 2HE LYS 28 15.124 -7.086 -4.361
182 HE3 LYS 28 3HE LYS 28 14.257 -5.856 -3.442
183 HZ1 LYS 28 3HZ LYS 28 12.677 -7.569 -2.750
184 HZ2 LYS 28 1HZ LYS 28 14.254 -7.948 -2.267
185 HZ3 LYS 28 2HZ LYS 28 13.562 -8.740 -3.591
186 H ILE 29 H ILE 29 11.594 -8.532 -8.290
187 HA ILE 29 HA ILE 29 11.300 -11.114 -9.565
188 HB ILE 29 HB ILE 29 9.464 -11.755 -7.908
189 HG12 ILE 29 2HG1 ILE 29 10.915 -10.392 -5.748
190 HG13 ILE 29 3HG1 ILE 29 10.028 -9.303 -6.810
191 HG21 ILE 29 1HG2 ILE 29 12.209 -11.835 -6.702
192 HG22 ILE 29 2HG2 ILE 29 10.945 -13.063 -6.660
193 HG23 ILE 29 3HG2 ILE 29 11.814 -12.743 -8.161
194 HD11 ILE 29 3HD1 ILE 29 8.882 -10.271 -4.703
195 HD12 ILE 29 1HD1 ILE 29 7.986 -10.182 -6.220
196 HD13 ILE 29 2HD1 ILE 29 8.679 -11.716 -5.693
197 H ARG 30 H ARG 30 10.769 -9.210 -11.069
198 HA ARG 30 HA ARG 30 9.207 -8.161 -12.348
199 HB2 ARG 30 2HB ARG 30 7.118 -9.645 -10.756
200 HB3 ARG 30 3HB ARG 30 6.974 -9.009 -12.389
201 HG2 ARG 30 2HG ARG 30 7.585 -10.981 -13.177
202 HG3 ARG 30 3HG ARG 30 9.161 -10.779 -12.408
203 HD2 ARG 30 2HD ARG 30 8.388 -12.794 -11.538
204 HD3 ARG 30 3HD ARG 30 7.994 -11.626 -10.278
205 HE ARG 30 HE ARG 30 5.854 -12.047 -12.141
206 HH11 ARG 30 1HH1 ARG 30 7.393 -13.238 -9.254
207 HH12 ARG 30 2HH1 ARG 30 5.967 -14.025 -8.662
208 HH21 ARG 30 1HH2 ARG 30 3.971 -13.079 -11.372
209 HH22 ARG 30 2HH2 ARG 30 4.022 -13.934 -9.868
210 H GLN 31 H GLN 31 10.140 -6.520 -10.564
211 HA GLN 31 HA GLN 31 9.741 -4.576 -9.451
212 HB2 GLN 31 2HB GLN 31 6.841 -4.898 -10.213
213 HB3 GLN 31 3HB GLN 31 7.698 -3.407 -9.845
214 HG2 GLN 31 2HG GLN 31 8.027 -3.144 -12.014
215 HG3 GLN 31 3HG GLN 31 9.099 -4.542 -11.967
216 HE21 GLN 31 1HE2 GLN 31 5.656 -3.729 -12.177
217 HE22 GLN 31 2HE2 GLN 31 5.250 -4.986 -13.290
218 H THR 32 H THR 32 10.027 -4.828 -7.332
219 HA THR 32 HA THR 32 7.746 -5.332 -5.642
220 HB THR 32 HB THR 32 10.096 -7.232 -5.518
221 HG1 THR 32 HG1 THR 32 7.370 -7.709 -6.212
222 HG21 THR 32 3HG2 THR 32 9.435 -7.109 -3.319
223 HG22 THR 32 1HG2 THR 32 8.347 -8.366 -3.905
224 HG23 THR 32 2HG2 THR 32 7.768 -6.710 -3.729
225 H CYS 33 H CYS 33 8.042 -4.627 -3.524
226 HA CYS 33 HA CYS 33 10.253 -2.792 -3.168
227 HB2 CYS 33 2HB CYS 33 7.683 -2.568 -2.483
228 HB3 CYS 33 3HB CYS 33 8.282 -3.286 -0.991
229 H HIS 34 H HIS 34 11.696 -2.812 -1.402
230 HA HIS 34 HA HIS 34 11.783 -5.045 0.404
231 HB2 HIS 34 2HB HIS 34 12.797 -5.830 -1.842
232 HB3 HIS 34 3HB HIS 34 14.155 -4.787 -1.429
233 HD1 HIS 34 HD1 HIS 34 12.185 -7.522 0.357
234 HD2 HIS 34 HD2 HIS 34 16.081 -6.173 -0.157
235 HE1 HIS 34 HE1 HIS 34 13.628 -9.126 1.649
236 H CYS 35 H CYS 35 12.875 -4.546 2.230
237 HA CYS 35 HA CYS 35 14.190 -1.923 2.299
238 HB2 CYS 35 2HB CYS 35 12.972 -3.624 4.479
239 HB3 CYS 35 3HB CYS 35 13.888 -2.154 4.796
240 H TYR 36 H TYR 36 16.283 -1.684 2.868
241 HA TYR 36 HA TYR 36 17.765 -3.739 4.213
242 HB2 TYR 36 2HB TYR 36 19.267 -4.352 2.474
243 HB3 TYR 36 3HB TYR 36 17.648 -4.526 1.806
244 HD1 TYR 36 HD2 TYR 36 16.768 -2.734 0.271
245 HD2 TYR 36 HD1 TYR 36 20.841 -2.889 1.493
246 HE1 TYR 36 HE2 TYR 36 17.381 -1.266 -1.605
247 HE2 TYR 36 HE1 TYR 36 21.465 -1.421 -0.379
248 HH TYR 36 HH TYR 36 20.656 -0.025 -1.973
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -0.626 0.356 0.006
2 HA2 GLY 1 2HA GLY 1 1.868 -0.396 -1.380
3 HA3 GLY 1 3HA GLY 1 0.420 -1.378 -1.544
4 H PHE 2 H PHE 2 1.907 1.700 -2.312
5 HA PHE 2 HA PHE 2 0.444 1.866 -4.767
6 HB2 PHE 2 2HB PHE 2 -0.790 3.867 -4.377
7 HB3 PHE 2 3HB PHE 2 -1.170 2.781 -3.044
8 HD1 PHE 2 HD2 PHE 2 0.552 3.054 -0.988
9 HD2 PHE 2 HD1 PHE 2 -0.432 6.057 -3.839
10 HE1 PHE 2 HE2 PHE 2 1.221 4.793 0.618
11 HE2 PHE 2 HE1 PHE 2 0.237 7.802 -2.237
12 HZ PHE 2 HZ PHE 2 1.063 7.170 -0.005
13 H GLY 3 H GLY 3 3.207 1.817 -3.778
14 HA2 GLY 3 2HA GLY 3 4.209 3.985 -5.408
15 HA3 GLY 3 3HA GLY 3 4.618 4.121 -3.705
16 H CYS 4 H CYS 4 6.229 3.616 -6.211
17 HA CYS 4 HA CYS 4 8.195 1.980 -5.105
18 HB2 CYS 4 2HB CYS 4 6.056 0.516 -6.371
19 HB3 CYS 4 3HB CYS 4 7.565 0.258 -7.241
20 HA PRO 5 HA PRO 5 9.234 2.688 -9.764
21 HB2 PRO 5 2HB PRO 5 7.269 3.682 -11.353
22 HB3 PRO 5 3HB PRO 5 7.517 1.950 -11.100
23 HG2 PRO 5 2HG PRO 5 5.543 3.790 -9.804
24 HG3 PRO 5 3HG PRO 5 5.301 2.146 -10.423
25 HD2 PRO 5 2HD PRO 5 5.642 2.676 -7.790
26 HD3 PRO 5 3HD PRO 5 6.206 1.169 -8.541
27 H TRP 6 H TRP 6 6.723 4.987 -8.706
28 HA TRP 6 HA TRP 6 8.667 7.160 -9.138
29 HB2 TRP 6 2HB TRP 6 6.298 8.467 -9.256
30 HB3 TRP 6 3HB TRP 6 7.144 7.847 -10.671
31 HD1 TRP 6 HD1 TRP 6 6.010 5.902 -12.012
32 HE1 TRP 6 HE1 TRP 6 3.726 4.727 -11.848
33 HE3 TRP 6 HE3 TRP 6 4.500 7.695 -7.468
34 HZ2 TRP 6 HZ2 TRP 6 1.570 4.580 -10.032
35 HZ3 TRP 6 HZ3 TRP 6 2.314 6.988 -6.590
36 HH2 TRP 6 HH2 TRP 6 0.880 5.463 -7.847
37 H ASN 7 H ASN 7 6.127 5.834 -7.117
38 HA ASN 7 HA ASN 7 6.457 7.952 -5.144
39 HB2 ASN 7 2HB ASN 7 4.424 5.938 -5.751
40 HB3 ASN 7 3HB ASN 7 4.761 6.078 -4.029
41 HD21 ASN 7 1HD2 ASN 7 2.609 6.876 -3.818
42 HD22 ASN 7 2HD2 ASN 7 2.252 8.528 -4.178
43 H ALA 8 H ALA 8 8.570 5.930 -5.797
44 HA ALA 8 HA ALA 8 8.899 3.975 -3.886
45 HB1 ALA 8 1HB ALA 8 11.453 4.965 -4.199
46 HB2 ALA 8 2HB ALA 8 10.671 3.759 -5.221
47 HB3 ALA 8 3HB ALA 8 10.635 5.461 -5.682
48 H TYR 9 H TYR 9 9.309 7.435 -3.569
49 HA TYR 9 HA TYR 9 10.802 7.603 -1.247
50 HB2 TYR 9 2HB TYR 9 9.139 9.350 -2.791
51 HB3 TYR 9 3HB TYR 9 8.782 9.589 -1.084
52 HD1 TYR 9 HD1 TYR 9 11.580 9.499 -3.530
53 HD2 TYR 9 HD2 TYR 9 10.216 10.861 0.263
54 HE1 TYR 9 HE1 TYR 9 13.596 10.890 -3.312
55 HE2 TYR 9 HE2 TYR 9 12.228 12.257 0.491
56 HH TYR 9 HH TYR 9 14.005 13.294 -1.675
57 H GLU 10 H GLU 10 7.486 6.652 -1.682
58 HA GLU 10 HA GLU 10 6.612 6.999 0.986
59 HB2 GLU 10 2HB GLU 10 5.294 6.496 -1.248
60 HB3 GLU 10 3HB GLU 10 5.492 4.827 -0.733
61 HG2 GLU 10 2HG GLU 10 3.992 7.041 0.607
62 HG3 GLU 10 3HG GLU 10 3.418 5.450 0.112
63 H CYS 11 H CYS 11 7.709 4.094 -0.763
64 HA CYS 11 HA CYS 11 7.624 2.374 1.467
65 HB2 CYS 11 2HB CYS 11 7.843 1.861 -1.094
66 HB3 CYS 11 3HB CYS 11 9.572 1.957 -0.773
67 H ASP 12 H ASP 12 9.942 4.712 0.412
68 HA ASP 12 HA ASP 12 12.186 3.688 1.835
69 HB2 ASP 12 2HB ASP 12 12.733 5.166 0.097
70 HB3 ASP 12 3HB ASP 12 11.524 6.346 0.596
71 H ARG 13 H ARG 13 10.195 6.582 2.478
72 HA ARG 13 HA ARG 13 11.159 7.129 5.014
73 HB2 ARG 13 2HB ARG 13 8.466 7.632 3.760
74 HB3 ARG 13 3HB ARG 13 8.864 8.199 5.376
75 HG2 ARG 13 2HG ARG 13 10.991 9.037 3.796
76 HG3 ARG 13 3HG ARG 13 9.554 9.314 2.809
77 HD2 ARG 13 2HD ARG 13 8.564 10.677 4.481
78 HD3 ARG 13 3HD ARG 13 9.769 10.200 5.676
79 HE ARG 13 HE ARG 13 10.022 12.251 3.691
80 HH11 ARG 13 1HH1 ARG 13 11.769 9.965 5.652
81 HH12 ARG 13 2HH1 ARG 13 13.245 10.872 5.625
82 HH21 ARG 13 1HH2 ARG 13 11.960 13.454 3.649
83 HH22 ARG 13 2HH2 ARG 13 13.352 12.857 4.486
84 H HIS 14 H HIS 14 8.894 4.704 3.980
85 HA HIS 14 HA HIS 14 7.655 4.144 6.440
86 HB2 HIS 14 2HB HIS 14 6.737 3.267 4.387
87 HB3 HIS 14 3HB HIS 14 8.211 2.360 4.063
88 HD1 HIS 14 HD1 HIS 14 5.350 2.433 6.549
89 HD2 HIS 14 HD2 HIS 14 8.228 -0.173 5.070
90 HE1 HIS 14 HE1 HIS 14 4.790 0.186 7.529
91 H CYS 15 H CYS 15 10.646 2.957 4.988
92 HA CYS 15 HA CYS 15 11.166 1.238 7.279
93 HB2 CYS 15 2HB CYS 15 11.864 1.140 4.569
94 HB3 CYS 15 3HB CYS 15 13.370 1.480 5.415
95 H VAL 16 H VAL 16 12.181 4.292 5.936
96 HA VAL 16 HA VAL 16 14.575 4.672 7.332
97 HB VAL 16 HB VAL 16 12.552 6.751 6.486
98 HG11 VAL 16 1HG1 VAL 16 15.270 6.935 7.674
99 HG12 VAL 16 2HG1 VAL 16 14.827 8.097 6.421
100 HG13 VAL 16 3HG1 VAL 16 13.866 7.977 7.896
101 HG21 VAL 16 3HG2 VAL 16 13.200 6.316 4.406
102 HG22 VAL 16 1HG2 VAL 16 14.853 6.744 4.849
103 HG23 VAL 16 2HG2 VAL 16 14.308 5.072 4.987
104 H SER 17 H SER 17 11.284 4.807 8.389
105 HA SER 17 HA SER 17 11.817 6.330 10.772
106 HB2 SER 17 2HB SER 17 9.434 5.325 11.334
107 HB3 SER 17 3HB SER 17 9.613 6.613 10.142
108 HG SER 17 HG SER 17 8.403 4.462 9.676
109 H LYS 18 H LYS 18 11.557 2.943 9.898
110 HA LYS 18 HA LYS 18 11.487 1.905 12.534
111 HB2 LYS 18 2HB LYS 18 12.039 0.790 9.820
112 HB3 LYS 18 3HB LYS 18 12.488 -0.168 11.225
113 HG2 LYS 18 2HG LYS 18 10.395 -0.961 10.973
114 HG3 LYS 18 3HG LYS 18 9.986 0.469 11.923
115 HD2 LYS 18 2HD LYS 18 8.923 1.443 10.204
116 HD3 LYS 18 3HD LYS 18 10.176 0.979 9.050
117 HE2 LYS 18 2HE LYS 18 8.417 -0.259 8.265
118 HE3 LYS 18 3HE LYS 18 9.138 -1.413 9.385
119 HZ1 LYS 18 3HZ LYS 18 6.872 0.386 10.051
120 HZ2 LYS 18 1HZ LYS 18 7.518 -0.827 11.036
121 HZ3 LYS 18 2HZ LYS 18 6.710 -1.238 9.609
122 H GLY 19 H GLY 19 14.108 2.664 10.294
123 HA2 GLY 19 2HA GLY 19 16.080 3.465 11.817
124 HA3 GLY 19 3HA GLY 19 16.079 1.767 12.271
125 H TYR 20 H TYR 20 15.296 0.968 9.516
126 HA TYR 20 HA TYR 20 17.883 0.516 8.495
127 HB2 TYR 20 2HB TYR 20 15.244 0.296 7.033
128 HB3 TYR 20 3HB TYR 20 16.760 -0.465 6.566
129 HD1 TYR 20 HD2 TYR 20 17.744 -2.230 8.087
130 HD2 TYR 20 HD1 TYR 20 13.786 -0.745 8.563
131 HE1 TYR 20 HE2 TYR 20 17.170 -4.209 9.431
132 HE2 TYR 20 HE1 TYR 20 13.200 -2.719 9.909
133 HH TYR 20 HH TYR 20 15.476 -5.379 10.355
134 H THR 21 H THR 21 18.526 1.088 6.217
135 HA THR 21 HA THR 21 18.819 3.862 5.967
136 HB THR 21 HB THR 21 20.353 2.171 4.956
137 HG1 THR 21 HG1 THR 21 20.297 4.402 4.256
138 HG21 THR 21 3HG2 THR 21 18.447 2.009 2.647
139 HG22 THR 21 1HG2 THR 21 18.343 0.860 3.980
140 HG23 THR 21 2HG2 THR 21 19.823 0.974 3.028
141 H GLY 22 H GLY 22 16.419 1.665 4.690
142 HA2 GLY 22 2HA GLY 22 14.303 3.177 4.332
143 HA3 GLY 22 3HA GLY 22 15.284 3.771 3.000
144 H GLY 23 H GLY 23 12.687 2.281 3.093
145 HA2 GLY 23 2HA GLY 23 13.338 -0.287 1.901
146 HA3 GLY 23 3HA GLY 23 11.727 0.345 2.205
147 H ASN 24 H ASN 24 13.922 -0.417 -0.158
148 HA ASN 24 HA ASN 24 12.642 1.406 -2.087
149 HB2 ASN 24 2HB ASN 24 15.238 0.043 -2.688
150 HB3 ASN 24 3HB ASN 24 14.615 1.576 -3.292
151 HD21 ASN 24 1HD2 ASN 24 13.991 2.922 -1.041
152 HD22 ASN 24 2HD2 ASN 24 15.408 3.202 -0.093
153 H CYS 25 H CYS 25 12.267 0.547 -4.236
154 HA CYS 25 HA CYS 25 11.567 -2.301 -4.132
155 HB2 CYS 25 2HB CYS 25 10.615 -0.161 -6.048
156 HB3 CYS 25 3HB CYS 25 10.023 -1.817 -5.966
157 H ARG 26 H ARG 26 12.173 -3.732 -5.743
158 HA ARG 26 HA ARG 26 13.919 -2.774 -7.877
159 HB2 ARG 26 2HB ARG 26 14.734 -4.740 -5.744
160 HB3 ARG 26 3HB ARG 26 15.529 -4.677 -7.311
161 HG2 ARG 26 2HG ARG 26 15.667 -2.083 -6.617
162 HG3 ARG 26 3HG ARG 26 15.700 -2.837 -5.021
163 HD2 ARG 26 2HD ARG 26 17.661 -4.012 -5.486
164 HD3 ARG 26 3HD ARG 26 17.473 -3.818 -7.228
165 HE ARG 26 HE ARG 26 17.769 -1.280 -6.112
166 HH11 ARG 26 1HH1 ARG 26 19.620 -4.197 -6.540
167 HH12 ARG 26 2HH1 ARG 26 21.146 -3.377 -6.590
168 HH21 ARG 26 1HH2 ARG 26 19.771 -0.189 -6.176
169 HH22 ARG 26 2HH2 ARG 26 21.230 -1.097 -6.382
170 H GLY 27 H GLY 27 14.648 -4.836 -9.210
171 HA2 GLY 27 2HA GLY 27 12.154 -6.198 -9.888
172 HA3 GLY 27 3HA GLY 27 13.606 -6.133 -10.876
173 H LYS 28 H LYS 28 13.391 -7.067 -7.478
174 HA LYS 28 HA LYS 28 15.055 -9.260 -7.651
175 HB2 LYS 28 2HB LYS 28 13.808 -10.063 -5.565
176 HB3 LYS 28 3HB LYS 28 14.566 -8.478 -5.490
177 HG2 LYS 28 2HG LYS 28 11.792 -8.426 -6.412
178 HG3 LYS 28 3HG LYS 28 12.001 -9.032 -4.767
179 HD2 LYS 28 2HD LYS 28 13.485 -6.575 -5.525
180 HD3 LYS 28 3HD LYS 28 11.739 -6.439 -5.307
181 HE2 LYS 28 2HE LYS 28 12.464 -6.019 -3.173
182 HE3 LYS 28 3HE LYS 28 12.231 -7.765 -3.097
183 HZ1 LYS 28 3HZ LYS 28 14.375 -8.055 -2.676
184 HZ2 LYS 28 1HZ LYS 28 14.538 -6.378 -2.526
185 HZ3 LYS 28 2HZ LYS 28 14.842 -7.127 -4.011
186 H ILE 29 H ILE 29 11.616 -9.041 -8.300
187 HA ILE 29 HA ILE 29 11.710 -11.628 -9.616
188 HB ILE 29 HB ILE 29 9.662 -12.438 -8.477
189 HG12 ILE 29 2HG1 ILE 29 9.593 -11.194 -6.051
190 HG13 ILE 29 3HG1 ILE 29 9.962 -9.840 -7.113
191 HG21 ILE 29 1HG2 ILE 29 10.772 -13.207 -6.456
192 HG22 ILE 29 2HG2 ILE 29 11.887 -13.232 -7.821
193 HG23 ILE 29 3HG2 ILE 29 11.988 -11.942 -6.624
194 HD11 ILE 29 3HD1 ILE 29 7.917 -11.207 -8.400
195 HD12 ILE 29 1HD1 ILE 29 7.475 -11.227 -6.693
196 HD13 ILE 29 2HD1 ILE 29 7.790 -9.693 -7.505
197 H ARG 30 H ARG 30 9.836 -8.775 -8.717
198 HA ARG 30 HA ARG 30 9.014 -8.236 -11.347
199 HB2 ARG 30 2HB ARG 30 7.592 -10.326 -10.535
200 HB3 ARG 30 3HB ARG 30 6.629 -9.073 -9.764
201 HG2 ARG 30 2HG ARG 30 5.576 -9.362 -11.800
202 HG3 ARG 30 3HG ARG 30 6.613 -7.964 -12.090
203 HD2 ARG 30 2HD ARG 30 7.660 -9.034 -13.731
204 HD3 ARG 30 3HD ARG 30 8.072 -10.359 -12.644
205 HE ARG 30 HE ARG 30 5.384 -10.581 -13.492
206 HH11 ARG 30 1HH1 ARG 30 8.653 -10.993 -14.618
207 HH12 ARG 30 2HH1 ARG 30 8.236 -12.201 -15.788
208 HH21 ARG 30 1HH2 ARG 30 4.823 -12.170 -15.030
209 HH22 ARG 30 2HH2 ARG 30 6.057 -12.869 -16.022
210 H GLN 31 H GLN 31 10.128 -6.551 -9.701
211 HA GLN 31 HA GLN 31 9.956 -4.480 -8.778
212 HB2 GLN 31 2HB GLN 31 8.314 -4.268 -10.743
213 HB3 GLN 31 3HB GLN 31 7.045 -4.463 -9.541
214 HG2 GLN 31 2HG GLN 31 8.326 -2.518 -8.337
215 HG3 GLN 31 3HG GLN 31 8.929 -2.203 -9.963
216 HE21 GLN 31 1HE2 GLN 31 5.916 -2.795 -8.199
217 HE22 GLN 31 2HE2 GLN 31 4.951 -1.711 -9.135
218 H THR 32 H THR 32 10.239 -5.571 -6.719
219 HA THR 32 HA THR 32 7.831 -5.363 -5.033
220 HB THR 32 HB THR 32 10.073 -7.359 -4.663
221 HG1 THR 32 HG1 THR 32 8.391 -8.870 -5.260
222 HG21 THR 32 3HG2 THR 32 8.208 -8.332 -3.111
223 HG22 THR 32 1HG2 THR 32 7.613 -6.673 -3.108
224 HG23 THR 32 2HG2 THR 32 9.242 -7.027 -2.531
225 H CYS 33 H CYS 33 8.111 -4.567 -2.936
226 HA CYS 33 HA CYS 33 10.328 -2.752 -2.639
227 HB2 CYS 33 2HB CYS 33 7.678 -2.910 -1.666
228 HB3 CYS 33 3HB CYS 33 8.732 -2.964 -0.257
229 H HIS 34 H HIS 34 11.768 -2.695 -0.843
230 HA HIS 34 HA HIS 34 11.947 -4.931 0.952
231 HB2 HIS 34 2HB HIS 34 12.971 -5.723 -1.253
232 HB3 HIS 34 3HB HIS 34 14.260 -4.563 -0.947
233 HD1 HIS 34 HD1 HIS 34 16.178 -6.056 -0.385
234 HD2 HIS 34 HD2 HIS 34 12.736 -7.050 1.719
235 HE1 HIS 34 HE1 HIS 34 16.883 -7.820 1.263
236 H CYS 35 H CYS 35 13.300 -4.541 2.697
237 HA CYS 35 HA CYS 35 14.188 -1.766 2.941
238 HB2 CYS 35 2HB CYS 35 13.498 -3.931 4.896
239 HB3 CYS 35 3HB CYS 35 14.514 -2.588 5.409
240 H TYR 36 H TYR 36 16.270 -1.176 3.133
241 HA TYR 36 HA TYR 36 18.285 -3.325 3.222
242 HB2 TYR 36 2HB TYR 36 18.647 -0.619 1.932
243 HB3 TYR 36 3HB TYR 36 19.707 -2.019 1.805
244 HD1 TYR 36 HD2 TYR 36 16.444 -0.629 0.783
245 HD2 TYR 36 HD1 TYR 36 19.286 -3.744 0.214
246 HE1 TYR 36 HE2 TYR 36 15.250 -1.340 -1.246
247 HE2 TYR 36 HE1 TYR 36 18.100 -4.462 -1.818
248 HH TYR 36 HH TYR 36 16.114 -4.273 -2.955
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.202 -2.680 -3.549
2 HA2 GLY 1 2HA GLY 1 1.554 -0.570 -2.095
3 HA3 GLY 1 3HA GLY 1 3.132 -0.643 -2.866
4 H PHE 2 H PHE 2 1.690 1.732 -2.216
5 HA PHE 2 HA PHE 2 0.845 2.742 -4.836
6 HB2 PHE 2 2HB PHE 2 0.637 4.181 -2.192
7 HB3 PHE 2 3HB PHE 2 -0.221 4.540 -3.686
8 HD1 PHE 2 HD2 PHE 2 0.011 2.240 -0.832
9 HD2 PHE 2 HD1 PHE 2 -2.194 3.348 -4.300
10 HE1 PHE 2 HE2 PHE 2 -1.862 0.830 -0.088
11 HE2 PHE 2 HE1 PHE 2 -4.071 1.940 -3.561
12 HZ PHE 2 HZ PHE 2 -3.906 0.677 -1.453
13 H GLY 3 H GLY 3 3.451 2.345 -4.930
14 HA2 GLY 3 2HA GLY 3 4.637 4.638 -5.729
15 HA3 GLY 3 3HA GLY 3 4.942 4.641 -3.998
16 H CYS 4 H CYS 4 6.700 4.335 -6.442
17 HA CYS 4 HA CYS 4 8.614 2.632 -5.348
18 HB2 CYS 4 2HB CYS 4 6.563 1.252 -6.835
19 HB3 CYS 4 3HB CYS 4 8.120 1.066 -7.635
20 HA PRO 5 HA PRO 5 9.905 3.681 -9.878
21 HB2 PRO 5 2HB PRO 5 8.023 4.780 -11.498
22 HB3 PRO 5 3HB PRO 5 8.271 3.035 -11.358
23 HG2 PRO 5 2HG PRO 5 6.213 4.768 -10.045
24 HG3 PRO 5 3HG PRO 5 6.019 3.172 -10.794
25 HD2 PRO 5 2HD PRO 5 6.210 3.510 -8.114
26 HD3 PRO 5 3HD PRO 5 6.826 2.065 -8.940
27 H TRP 6 H TRP 6 7.321 5.886 -8.797
28 HA TRP 6 HA TRP 6 9.267 8.094 -8.963
29 HB2 TRP 6 2HB TRP 6 6.897 9.396 -9.114
30 HB3 TRP 6 3HB TRP 6 7.822 8.883 -10.523
31 HD1 TRP 6 HD1 TRP 6 6.777 7.035 -12.058
32 HE1 TRP 6 HE1 TRP 6 4.496 5.843 -12.102
33 HE3 TRP 6 HE3 TRP 6 5.013 8.491 -7.486
34 HZ2 TRP 6 HZ2 TRP 6 2.247 5.558 -10.420
35 HZ3 TRP 6 HZ3 TRP 6 2.787 7.716 -6.779
36 HH2 TRP 6 HH2 TRP 6 1.434 6.280 -8.217
37 H ASN 7 H ASN 7 6.635 6.611 -7.184
38 HA ASN 7 HA ASN 7 6.839 8.581 -5.047
39 HB2 ASN 7 2HB ASN 7 4.859 6.610 -5.910
40 HB3 ASN 7 3HB ASN 7 5.104 6.618 -4.166
41 HD21 ASN 7 1HD2 ASN 7 2.947 7.391 -3.988
42 HD22 ASN 7 2HD2 ASN 7 2.592 9.063 -4.245
43 H ALA 8 H ALA 8 8.991 6.599 -5.741
44 HA ALA 8 HA ALA 8 9.229 4.526 -3.944
45 HB1 ALA 8 1HB ALA 8 11.075 4.367 -5.174
46 HB2 ALA 8 2HB ALA 8 11.027 6.079 -5.596
47 HB3 ALA 8 3HB ALA 8 11.796 5.562 -4.096
48 H TYR 9 H TYR 9 9.651 7.959 -3.401
49 HA TYR 9 HA TYR 9 11.034 7.967 -1.005
50 HB2 TYR 9 2HB TYR 9 9.761 9.864 -2.562
51 HB3 TYR 9 3HB TYR 9 8.856 9.916 -1.053
52 HD1 TYR 9 HD2 TYR 9 10.944 9.387 0.939
53 HD2 TYR 9 HD1 TYR 9 11.069 11.786 -2.572
54 HE1 TYR 9 HE2 TYR 9 12.708 10.769 1.953
55 HE2 TYR 9 HE1 TYR 9 12.834 13.174 -1.569
56 HH TYR 9 HH TYR 9 13.666 12.976 1.745
57 H GLU 10 H GLU 10 7.734 7.088 -1.654
58 HA GLU 10 HA GLU 10 6.761 7.277 1.006
59 HB2 GLU 10 2HB GLU 10 5.172 7.240 -0.778
60 HB3 GLU 10 3HB GLU 10 5.814 5.726 -1.402
61 HG2 GLU 10 2HG GLU 10 3.625 5.611 -0.142
62 HG3 GLU 10 3HG GLU 10 4.884 4.479 0.346
63 H CYS 11 H CYS 11 7.956 4.543 -0.929
64 HA CYS 11 HA CYS 11 7.727 2.667 1.212
65 HB2 CYS 11 2HB CYS 11 7.818 2.270 -1.374
66 HB3 CYS 11 3HB CYS 11 9.560 2.259 -1.125
67 H ASP 12 H ASP 12 10.141 4.918 0.181
68 HA ASP 12 HA ASP 12 12.365 3.692 1.474
69 HB2 ASP 12 2HB ASP 12 12.825 5.238 -0.289
70 HB3 ASP 12 3HB ASP 12 11.872 6.501 0.485
71 H ARG 13 H ARG 13 10.420 6.562 2.318
72 HA ARG 13 HA ARG 13 11.552 6.998 4.833
73 HB2 ARG 13 2HB ARG 13 8.867 7.688 3.662
74 HB3 ARG 13 3HB ARG 13 9.288 8.127 5.312
75 HG2 ARG 13 2HG ARG 13 11.429 8.941 3.662
76 HG3 ARG 13 3HG ARG 13 9.931 9.462 2.886
77 HD2 ARG 13 2HD ARG 13 10.334 9.911 5.813
78 HD3 ARG 13 3HD ARG 13 11.090 10.994 4.646
79 HE ARG 13 HE ARG 13 8.420 10.778 3.933
80 HH11 ARG 13 1HH1 ARG 13 10.288 11.929 6.636
81 HH12 ARG 13 2HH1 ARG 13 9.124 13.127 7.098
82 HH21 ARG 13 1HH2 ARG 13 6.880 12.352 4.531
83 HH22 ARG 13 2HH2 ARG 13 7.186 13.366 5.900
84 H HIS 14 H HIS 14 9.320 4.608 3.769
85 HA HIS 14 HA HIS 14 7.968 4.019 6.146
86 HB2 HIS 14 2HB HIS 14 7.298 3.079 3.993
87 HB3 HIS 14 3HB HIS 14 8.794 2.154 3.911
88 HD1 HIS 14 HD1 HIS 14 5.412 2.158 5.443
89 HD2 HIS 14 HD2 HIS 14 8.899 -0.092 5.634
90 HE1 HIS 14 HE1 HIS 14 4.776 0.031 6.623
91 H CYS 15 H CYS 15 11.062 2.825 4.898
92 HA CYS 15 HA CYS 15 11.503 1.268 7.319
93 HB2 CYS 15 2HB CYS 15 13.193 1.613 4.833
94 HB3 CYS 15 3HB CYS 15 13.587 0.545 6.176
95 H VAL 16 H VAL 16 12.738 4.140 5.700
96 HA VAL 16 HA VAL 16 15.008 4.666 7.175
97 HB VAL 16 HB VAL 16 12.990 6.681 6.175
98 HG11 VAL 16 1HG1 VAL 16 14.273 8.009 7.507
99 HG12 VAL 16 2HG1 VAL 16 15.676 6.943 7.410
100 HG13 VAL 16 3HG1 VAL 16 15.284 8.011 6.062
101 HG21 VAL 16 3HG2 VAL 16 14.506 4.887 4.721
102 HG22 VAL 16 1HG2 VAL 16 13.789 6.380 4.113
103 HG23 VAL 16 2HG2 VAL 16 15.461 6.370 4.675
104 H SER 17 H SER 17 11.662 4.998 8.103
105 HA SER 17 HA SER 17 12.129 6.623 10.402
106 HB2 SER 17 2HB SER 17 9.915 6.190 9.068
107 HB3 SER 17 3HB SER 17 9.750 4.813 10.157
108 HG SER 17 HG SER 17 10.179 7.479 11.023
109 H LYS 18 H LYS 18 11.923 3.166 9.800
110 HA LYS 18 HA LYS 18 11.898 2.369 12.527
111 HB2 LYS 18 2HB LYS 18 12.399 0.996 9.917
112 HB3 LYS 18 3HB LYS 18 12.819 0.169 11.411
113 HG2 LYS 18 2HG LYS 18 10.712 -0.583 11.293
114 HG3 LYS 18 3HG LYS 18 10.314 0.987 11.994
115 HD2 LYS 18 2HD LYS 18 9.087 1.456 10.202
116 HD3 LYS 18 3HD LYS 18 10.534 1.347 9.197
117 HE2 LYS 18 2HE LYS 18 8.646 -0.890 9.919
118 HE3 LYS 18 3HE LYS 18 8.856 -0.149 8.333
119 HZ1 LYS 18 3HZ LYS 18 10.412 -1.648 7.920
120 HZ2 LYS 18 1HZ LYS 18 10.288 -2.285 9.482
121 HZ3 LYS 18 2HZ LYS 18 11.360 -1.014 9.170
122 H GLY 19 H GLY 19 14.452 2.951 10.169
123 HA2 GLY 19 2HA GLY 19 16.486 3.861 11.472
124 HA3 GLY 19 3HA GLY 19 16.464 2.264 12.204
125 H TYR 20 H TYR 20 15.502 1.248 9.470
126 HA TYR 20 HA TYR 20 18.039 0.405 8.548
127 HB2 TYR 20 2HB TYR 20 15.291 0.244 7.305
128 HB3 TYR 20 3HB TYR 20 16.721 -0.489 6.587
129 HD1 TYR 20 HD2 TYR 20 18.091 -2.037 8.271
130 HD2 TYR 20 HD1 TYR 20 13.963 -1.079 8.648
131 HE1 TYR 20 HE2 TYR 20 17.756 -4.047 9.648
132 HE2 TYR 20 HE1 TYR 20 13.617 -3.086 10.026
133 HH TYR 20 HH TYR 20 16.217 -5.410 10.573
134 H THR 21 H THR 21 18.226 0.553 5.919
135 HA THR 21 HA THR 21 19.062 3.236 5.450
136 HB THR 21 HB THR 21 18.876 0.894 3.547
137 HG1 THR 21 HG1 THR 21 20.949 0.516 4.114
138 HG21 THR 21 3HG2 THR 21 20.053 3.645 3.237
139 HG22 THR 21 1HG2 THR 21 18.917 2.812 2.177
140 HG23 THR 21 2HG2 THR 21 20.595 2.278 2.264
141 H GLY 22 H GLY 22 16.402 1.235 4.222
142 HA2 GLY 22 2HA GLY 22 14.409 2.987 4.022
143 HA3 GLY 22 3HA GLY 22 15.384 3.458 2.638
144 H GLY 23 H GLY 23 12.649 2.269 2.860
145 HA2 GLY 23 2HA GLY 23 12.900 -0.393 1.770
146 HA3 GLY 23 3HA GLY 23 11.410 0.514 1.982
147 H ASN 24 H ASN 24 13.820 -0.491 -0.208
148 HA ASN 24 HA ASN 24 12.719 1.257 -2.306
149 HB2 ASN 24 2HB ASN 24 15.252 -0.304 -2.662
150 HB3 ASN 24 3HB ASN 24 14.766 1.217 -3.406
151 HD21 ASN 24 1HD2 ASN 24 14.069 2.723 -1.257
152 HD22 ASN 24 2HD2 ASN 24 15.447 2.995 -0.252
153 H CYS 25 H CYS 25 12.351 0.331 -4.408
154 HA CYS 25 HA CYS 25 11.451 -2.451 -4.221
155 HB2 CYS 25 2HB CYS 25 10.838 -0.472 -6.418
156 HB3 CYS 25 3HB CYS 25 10.000 -1.980 -6.066
157 H ARG 26 H ARG 26 11.988 -3.999 -5.776
158 HA ARG 26 HA ARG 26 13.964 -3.320 -7.803
159 HB2 ARG 26 2HB ARG 26 14.490 -5.290 -5.573
160 HB3 ARG 26 3HB ARG 26 15.444 -5.205 -7.048
161 HG2 ARG 26 2HG ARG 26 15.091 -2.898 -5.151
162 HG3 ARG 26 3HG ARG 26 16.439 -4.035 -5.087
163 HD2 ARG 26 2HD ARG 26 16.506 -3.337 -7.695
164 HD3 ARG 26 3HD ARG 26 15.885 -1.848 -6.982
165 HE ARG 26 HE ARG 26 18.538 -2.928 -6.712
166 HH11 ARG 26 1HH1 ARG 26 16.132 -0.835 -5.315
167 HH12 ARG 26 2HH1 ARG 26 17.283 0.122 -4.443
168 HH21 ARG 26 1HH2 ARG 26 20.063 -1.675 -5.569
169 HH22 ARG 26 2HH2 ARG 26 19.519 -0.356 -4.589
170 H GLY 27 H GLY 27 14.598 -5.479 -8.991
171 HA2 GLY 27 2HA GLY 27 12.057 -6.719 -9.723
172 HA3 GLY 27 3HA GLY 27 13.555 -6.798 -10.639
173 H LYS 28 H LYS 28 13.130 -7.529 -7.211
174 HA LYS 28 HA LYS 28 14.649 -9.832 -7.194
175 HB2 LYS 28 2HB LYS 28 13.262 -10.436 -5.128
176 HB3 LYS 28 3HB LYS 28 14.125 -8.904 -5.101
177 HG2 LYS 28 2HG LYS 28 11.402 -8.717 -6.150
178 HG3 LYS 28 3HG LYS 28 11.500 -9.244 -4.468
179 HD2 LYS 28 2HD LYS 28 13.172 -6.932 -5.299
180 HD3 LYS 28 3HD LYS 28 11.433 -6.676 -5.140
181 HE2 LYS 28 2HE LYS 28 11.934 -6.280 -2.983
182 HE3 LYS 28 3HE LYS 28 11.955 -8.039 -2.860
183 HZ1 LYS 28 3HZ LYS 28 13.944 -7.324 -1.893
184 HZ2 LYS 28 1HZ LYS 28 14.255 -6.196 -3.116
185 HZ3 LYS 28 2HZ LYS 28 14.399 -7.851 -3.435
186 H ILE 29 H ILE 29 11.255 -9.431 -7.990
187 HA ILE 29 HA ILE 29 11.233 -12.081 -9.178
188 HB ILE 29 HB ILE 29 9.100 -12.708 -8.081
189 HG12 ILE 29 2HG1 ILE 29 9.022 -11.343 -5.722
190 HG13 ILE 29 3HG1 ILE 29 9.513 -10.068 -6.832
191 HG21 ILE 29 1HG2 ILE 29 11.429 -13.409 -7.303
192 HG22 ILE 29 2HG2 ILE 29 11.199 -12.264 -5.983
193 HG23 ILE 29 3HG2 ILE 29 10.095 -13.627 -6.170
194 HD11 ILE 29 3HD1 ILE 29 7.416 -9.829 -7.471
195 HD12 ILE 29 1HD1 ILE 29 7.390 -11.499 -8.038
196 HD13 ILE 29 2HD1 ILE 29 6.929 -11.124 -6.377
197 H ARG 30 H ARG 30 9.511 -9.078 -8.488
198 HA ARG 30 HA ARG 30 8.816 -8.624 -11.170
199 HB2 ARG 30 2HB ARG 30 7.238 -10.576 -10.318
200 HB3 ARG 30 3HB ARG 30 6.334 -9.233 -9.632
201 HG2 ARG 30 2HG ARG 30 5.798 -8.361 -11.704
202 HG3 ARG 30 3HG ARG 30 7.135 -9.184 -12.508
203 HD2 ARG 30 2HD ARG 30 5.142 -10.937 -11.232
204 HD3 ARG 30 3HD ARG 30 4.561 -10.004 -12.610
205 HE ARG 30 HE ARG 30 6.974 -11.153 -13.361
206 HH11 ARG 30 1HH1 ARG 30 3.790 -12.193 -12.411
207 HH12 ARG 30 2HH1 ARG 30 3.845 -13.651 -13.345
208 HH21 ARG 30 1HH2 ARG 30 7.059 -13.070 -14.595
209 HH22 ARG 30 2HH2 ARG 30 5.705 -14.149 -14.586
210 H GLN 31 H GLN 31 9.979 -6.918 -9.598
211 HA GLN 31 HA GLN 31 9.911 -4.800 -8.774
212 HB2 GLN 31 2HB GLN 31 7.483 -5.027 -10.417
213 HB3 GLN 31 3HB GLN 31 7.416 -3.765 -9.193
214 HG2 GLN 31 2HG GLN 31 9.362 -2.706 -10.077
215 HG3 GLN 31 3HG GLN 31 9.653 -4.049 -11.181
216 HE21 GLN 31 1HE2 GLN 31 7.484 -1.395 -10.429
217 HE22 GLN 31 2HE2 GLN 31 6.837 -1.225 -12.022
218 H THR 32 H THR 32 10.053 -5.765 -6.649
219 HA THR 32 HA THR 32 7.602 -5.327 -5.073
220 HB THR 32 HB THR 32 9.694 -7.436 -4.509
221 HG1 THR 32 HG1 THR 32 7.195 -7.510 -5.816
222 HG21 THR 32 3HG2 THR 32 7.711 -8.207 -2.989
223 HG22 THR 32 1HG2 THR 32 7.223 -6.516 -3.098
224 HG23 THR 32 2HG2 THR 32 8.802 -6.938 -2.435
225 H CYS 33 H CYS 33 7.857 -4.434 -3.014
226 HA CYS 33 HA CYS 33 10.177 -2.752 -2.722
227 HB2 CYS 33 2HB CYS 33 7.510 -2.597 -1.930
228 HB3 CYS 33 3HB CYS 33 8.397 -2.808 -0.424
229 H HIS 34 H HIS 34 11.572 -2.702 -0.903
230 HA HIS 34 HA HIS 34 11.527 -4.822 1.035
231 HB2 HIS 34 2HB HIS 34 12.569 -5.766 -1.146
232 HB3 HIS 34 3HB HIS 34 13.961 -4.772 -0.729
233 HD1 HIS 34 HD1 HIS 34 15.643 -6.418 0.066
234 HD2 HIS 34 HD2 HIS 34 11.895 -7.087 1.728
235 HE1 HIS 34 HE1 HIS 34 15.974 -8.254 1.753
236 H CYS 35 H CYS 35 12.760 -4.362 2.821
237 HA CYS 35 HA CYS 35 13.952 -1.691 2.865
238 HB2 CYS 35 2HB CYS 35 13.055 -3.568 5.053
239 HB3 CYS 35 3HB CYS 35 13.939 -2.080 5.375
240 H TYR 36 H TYR 36 16.076 -1.343 3.079
241 HA TYR 36 HA TYR 36 17.842 -3.655 3.144
242 HB2 TYR 36 2HB TYR 36 18.278 -0.732 2.550
243 HB3 TYR 36 3HB TYR 36 19.615 -1.865 2.715
244 HD1 TYR 36 HD2 TYR 36 19.691 -3.866 1.148
245 HD2 TYR 36 HD1 TYR 36 17.105 -0.545 0.524
246 HE1 TYR 36 HE2 TYR 36 19.443 -4.511 -1.212
247 HE2 TYR 36 HE1 TYR 36 16.849 -1.181 -1.838
248 HH TYR 36 HH TYR 36 17.129 -2.959 -3.307
Start of MODEL 12
1 H1 GLY 1 H GLY 1 0.680 -2.807 -3.927
2 HA2 GLY 1 2HA GLY 1 2.810 -1.615 -3.770
3 HA3 GLY 1 3HA GLY 1 2.872 -1.640 -5.526
4 H PHE 2 H PHE 2 3.284 0.738 -4.611
5 HA PHE 2 HA PHE 2 1.222 2.327 -5.626
6 HB2 PHE 2 2HB PHE 2 0.661 3.489 -3.386
7 HB3 PHE 2 3HB PHE 2 -0.135 1.963 -3.753
8 HD1 PHE 2 HD2 PHE 2 3.062 3.082 -2.178
9 HD2 PHE 2 HD1 PHE 2 -0.324 0.509 -2.001
10 HE1 PHE 2 HE2 PHE 2 3.887 2.148 -0.057
11 HE2 PHE 2 HE1 PHE 2 0.496 -0.429 0.121
12 HZ PHE 2 HZ PHE 2 2.604 0.389 1.095
13 H GLY 3 H GLY 3 4.083 2.051 -5.724
14 HA2 GLY 3 2HA GLY 3 5.008 4.538 -6.108
15 HA3 GLY 3 3HA GLY 3 5.172 4.375 -4.366
16 H CYS 4 H CYS 4 7.136 4.592 -6.664
17 HA CYS 4 HA CYS 4 9.190 3.053 -5.582
18 HB2 CYS 4 2HB CYS 4 7.462 1.538 -7.276
19 HB3 CYS 4 3HB CYS 4 9.010 1.724 -8.094
20 HA PRO 5 HA PRO 5 10.640 4.755 -9.859
21 HB2 PRO 5 2HB PRO 5 8.743 5.764 -11.517
22 HB3 PRO 5 3HB PRO 5 9.225 4.063 -11.531
23 HG2 PRO 5 2HG PRO 5 6.853 5.350 -10.234
24 HG3 PRO 5 3HG PRO 5 6.942 3.835 -11.151
25 HD2 PRO 5 2HD PRO 5 6.890 3.898 -8.445
26 HD3 PRO 5 3HD PRO 5 7.763 2.648 -9.354
27 H TRP 6 H TRP 6 7.698 6.462 -8.791
28 HA TRP 6 HA TRP 6 9.318 8.915 -8.570
29 HB2 TRP 6 2HB TRP 6 6.805 9.898 -8.794
30 HB3 TRP 6 3HB TRP 6 7.890 9.669 -10.163
31 HD1 TRP 6 HD1 TRP 6 7.226 7.878 -11.956
32 HE1 TRP 6 HE1 TRP 6 5.146 6.405 -12.309
33 HE3 TRP 6 HE3 TRP 6 4.959 8.576 -7.428
34 HZ2 TRP 6 HZ2 TRP 6 2.847 5.640 -10.860
35 HZ3 TRP 6 HZ3 TRP 6 2.821 7.438 -6.991
36 HH2 TRP 6 HH2 TRP 6 1.789 6.001 -8.673
37 H ASN 7 H ASN 7 6.807 6.904 -7.177
38 HA ASN 7 HA ASN 7 6.571 8.638 -4.848
39 HB2 ASN 7 2HB ASN 7 4.964 6.525 -6.070
40 HB3 ASN 7 3HB ASN 7 5.088 6.362 -4.320
41 HD21 ASN 7 1HD2 ASN 7 2.797 6.787 -4.346
42 HD22 ASN 7 2HD2 ASN 7 2.234 8.419 -4.411
43 H ALA 8 H ALA 8 9.027 7.039 -5.559
44 HA ALA 8 HA ALA 8 9.429 4.846 -3.938
45 HB1 ALA 8 1HB ALA 8 10.996 6.206 -5.622
46 HB2 ALA 8 2HB ALA 8 11.668 6.771 -4.092
47 HB3 ALA 8 3HB ALA 8 11.625 5.045 -4.452
48 H TYR 9 H TYR 9 9.308 8.228 -3.066
49 HA TYR 9 HA TYR 9 10.542 8.183 -0.581
50 HB2 TYR 9 2HB TYR 9 8.823 9.963 -2.038
51 HB3 TYR 9 3HB TYR 9 8.306 9.901 -0.357
52 HD1 TYR 9 HD2 TYR 9 11.549 10.048 -2.223
53 HD2 TYR 9 HD1 TYR 9 9.199 11.527 1.000
54 HE1 TYR 9 HE2 TYR 9 13.366 11.590 -1.615
55 HE2 TYR 9 HE1 TYR 9 11.009 13.075 1.617
56 HH TYR 9 HH TYR 9 13.604 13.102 1.275
57 H GLU 10 H GLU 10 7.431 6.973 -1.555
58 HA GLU 10 HA GLU 10 6.240 6.798 1.004
59 HB2 GLU 10 2HB GLU 10 4.831 6.653 -0.919
60 HB3 GLU 10 3HB GLU 10 5.748 5.300 -1.567
61 HG2 GLU 10 2HG GLU 10 3.637 4.546 -0.664
62 HG3 GLU 10 3HG GLU 10 4.980 3.892 0.272
63 H CYS 11 H CYS 11 7.617 4.193 -1.013
64 HA CYS 11 HA CYS 11 7.654 2.297 1.087
65 HB2 CYS 11 2HB CYS 11 7.756 1.939 -1.486
66 HB3 CYS 11 3HB CYS 11 9.492 2.154 -1.285
67 H ASP 12 H ASP 12 9.841 4.793 0.114
68 HA ASP 12 HA ASP 12 12.168 3.750 1.394
69 HB2 ASP 12 2HB ASP 12 12.623 5.322 -0.285
70 HB3 ASP 12 3HB ASP 12 11.399 6.443 0.305
71 H ARG 13 H ARG 13 10.092 6.527 2.245
72 HA ARG 13 HA ARG 13 11.149 6.925 4.799
73 HB2 ARG 13 2HB ARG 13 8.485 7.607 3.576
74 HB3 ARG 13 3HB ARG 13 8.871 8.029 5.239
75 HG2 ARG 13 2HG ARG 13 10.978 8.840 3.441
76 HG3 ARG 13 3HG ARG 13 9.420 9.516 2.961
77 HD2 ARG 13 2HD ARG 13 9.255 10.012 5.557
78 HD3 ARG 13 3HD ARG 13 11.013 9.960 5.430
79 HE ARG 13 HE ARG 13 10.170 11.608 3.396
80 HH11 ARG 13 1HH1 ARG 13 9.898 11.542 6.866
81 HH12 ARG 13 2HH1 ARG 13 9.836 13.266 7.024
82 HH21 ARG 13 1HH2 ARG 13 10.089 13.879 3.591
83 HH22 ARG 13 2HH2 ARG 13 9.944 14.595 5.161
84 H HIS 14 H HIS 14 9.036 4.500 3.623
85 HA HIS 14 HA HIS 14 7.573 3.852 5.915
86 HB2 HIS 14 2HB HIS 14 7.067 2.901 3.720
87 HB3 HIS 14 3HB HIS 14 8.593 2.021 3.733
88 HD1 HIS 14 HD1 HIS 14 5.108 1.872 4.950
89 HD2 HIS 14 HD2 HIS 14 8.672 -0.175 5.559
90 HE1 HIS 14 HE1 HIS 14 4.467 -0.262 6.114
91 H CYS 15 H CYS 15 10.768 2.754 4.842
92 HA CYS 15 HA CYS 15 11.121 1.215 7.288
93 HB2 CYS 15 2HB CYS 15 12.933 1.604 4.897
94 HB3 CYS 15 3HB CYS 15 13.286 0.551 6.263
95 H VAL 16 H VAL 16 12.224 4.182 5.797
96 HA VAL 16 HA VAL 16 14.457 4.797 7.288
97 HB VAL 16 HB VAL 16 12.292 6.709 6.401
98 HG11 VAL 16 1HG1 VAL 16 14.590 8.132 6.343
99 HG12 VAL 16 2HG1 VAL 16 13.458 8.136 7.696
100 HG13 VAL 16 3HG1 VAL 16 14.883 7.097 7.740
101 HG21 VAL 16 3HG2 VAL 16 13.007 6.355 4.328
102 HG22 VAL 16 1HG2 VAL 16 14.637 6.832 4.805
103 HG23 VAL 16 2HG2 VAL 16 14.143 5.143 4.921
104 H SER 17 H SER 17 11.106 4.840 8.251
105 HA SER 17 HA SER 17 11.533 6.345 10.657
106 HB2 SER 17 2HB SER 17 9.312 5.668 9.182
107 HB3 SER 17 3HB SER 17 9.162 4.615 10.589
108 HG SER 17 HG SER 17 9.711 6.750 11.735
109 H LYS 18 H LYS 18 11.355 2.941 9.792
110 HA LYS 18 HA LYS 18 11.322 1.935 12.446
111 HB2 LYS 18 2HB LYS 18 11.882 0.770 9.745
112 HB3 LYS 18 3HB LYS 18 12.271 -0.165 11.183
113 HG2 LYS 18 2HG LYS 18 10.172 -0.914 10.963
114 HG3 LYS 18 3HG LYS 18 9.746 0.602 11.762
115 HD2 LYS 18 2HD LYS 18 8.600 1.242 9.969
116 HD3 LYS 18 3HD LYS 18 10.052 1.102 8.974
117 HE2 LYS 18 2HE LYS 18 8.063 -1.076 9.602
118 HE3 LYS 18 3HE LYS 18 8.306 -0.280 8.047
119 HZ1 LYS 18 3HZ LYS 18 9.681 -1.960 7.618
120 HZ2 LYS 18 1HZ LYS 18 9.762 -2.447 9.236
121 HZ3 LYS 18 2HZ LYS 18 10.774 -1.216 8.672
122 H GLY 19 H GLY 19 13.893 2.717 10.163
123 HA2 GLY 19 2HA GLY 19 15.870 3.496 11.742
124 HA3 GLY 19 3HA GLY 19 15.928 1.763 12.027
125 H TYR 20 H TYR 20 15.313 0.883 9.421
126 HA TYR 20 HA TYR 20 17.828 0.775 8.256
127 HB2 TYR 20 2HB TYR 20 15.220 0.478 6.759
128 HB3 TYR 20 3HB TYR 20 16.771 -0.250 6.356
129 HD1 TYR 20 HD1 TYR 20 17.711 -2.026 7.874
130 HD2 TYR 20 HD2 TYR 20 13.725 -0.585 8.247
131 HE1 TYR 20 HE1 TYR 20 17.116 -4.025 9.179
132 HE2 TYR 20 HE2 TYR 20 13.120 -2.579 9.553
133 HH TYR 20 HH TYR 20 14.201 -5.120 9.638
134 H THR 21 H THR 21 18.250 1.468 5.905
135 HA THR 21 HA THR 21 18.336 4.299 5.835
136 HB THR 21 HB THR 21 20.032 2.801 4.764
137 HG1 THR 21 HG1 THR 21 20.385 4.693 3.876
138 HG21 THR 21 3HG2 THR 21 18.030 1.456 3.660
139 HG22 THR 21 1HG2 THR 21 19.613 1.555 2.890
140 HG23 THR 21 2HG2 THR 21 18.304 2.605 2.350
141 H GLY 22 H GLY 22 16.169 1.925 4.465
142 HA2 GLY 22 2HA GLY 22 13.934 3.321 4.148
143 HA3 GLY 22 3HA GLY 22 14.863 3.915 2.779
144 H GLY 23 H GLY 23 12.353 2.363 2.865
145 HA2 GLY 23 2HA GLY 23 13.068 -0.266 1.877
146 HA3 GLY 23 3HA GLY 23 11.444 0.386 2.032
147 H ASN 24 H ASN 24 14.092 -0.178 -0.064
148 HA ASN 24 HA ASN 24 12.816 1.361 -2.216
149 HB2 ASN 24 2HB ASN 24 15.497 0.049 -2.496
150 HB3 ASN 24 3HB ASN 24 14.880 1.500 -3.281
151 HD21 ASN 24 1HD2 ASN 24 13.968 2.937 -1.140
152 HD22 ASN 24 2HD2 ASN 24 15.297 3.376 -0.128
153 H CYS 25 H CYS 25 11.921 0.381 -3.938
154 HA CYS 25 HA CYS 25 11.822 -2.540 -3.918
155 HB2 CYS 25 2HB CYS 25 9.934 -2.282 -5.476
156 HB3 CYS 25 3HB CYS 25 9.684 -1.358 -3.998
157 H ARG 26 H ARG 26 11.853 -3.661 -6.049
158 HA ARG 26 HA ARG 26 13.244 -2.378 -8.220
159 HB2 ARG 26 2HB ARG 26 15.095 -4.153 -8.141
160 HB3 ARG 26 3HB ARG 26 15.209 -2.807 -7.015
161 HG2 ARG 26 2HG ARG 26 14.412 -4.171 -5.211
162 HG3 ARG 26 3HG ARG 26 14.083 -5.508 -6.315
163 HD2 ARG 26 2HD ARG 26 16.137 -6.256 -5.917
164 HD3 ARG 26 3HD ARG 26 16.761 -4.826 -6.738
165 HE ARG 26 HE ARG 26 16.291 -3.960 -4.210
166 HH11 ARG 26 1HH1 ARG 26 18.082 -6.622 -5.561
167 HH12 ARG 26 2HH1 ARG 26 19.247 -6.659 -4.279
168 HH21 ARG 26 1HH2 ARG 26 17.819 -3.998 -2.517
169 HH22 ARG 26 2HH2 ARG 26 19.096 -5.166 -2.547
170 H GLY 27 H GLY 27 14.000 -4.328 -9.794
171 HA2 GLY 27 2HA GLY 27 11.522 -5.784 -10.294
172 HA3 GLY 27 3HA GLY 27 12.867 -5.601 -11.411
173 H LYS 28 H LYS 28 12.871 -6.775 -8.065
174 HA LYS 28 HA LYS 28 14.554 -8.972 -8.710
175 HB2 LYS 28 2HB LYS 28 14.136 -9.673 -6.362
176 HB3 LYS 28 3HB LYS 28 14.651 -7.998 -6.504
177 HG2 LYS 28 2HG LYS 28 11.981 -7.674 -6.573
178 HG3 LYS 28 3HG LYS 28 12.097 -9.125 -5.574
179 HD2 LYS 28 2HD LYS 28 13.966 -6.933 -4.919
180 HD3 LYS 28 3HD LYS 28 12.259 -6.626 -4.591
181 HE2 LYS 28 2HE LYS 28 13.845 -8.996 -3.604
182 HE3 LYS 28 3HE LYS 28 13.415 -7.580 -2.647
183 HZ1 LYS 28 3HZ LYS 28 11.397 -8.393 -2.268
184 HZ2 LYS 28 1HZ LYS 28 11.943 -9.865 -2.899
185 HZ3 LYS 28 2HZ LYS 28 11.138 -8.764 -3.898
186 H ILE 29 H ILE 29 11.095 -8.670 -8.014
187 HA ILE 29 HA ILE 29 10.588 -11.116 -9.482
188 HB ILE 29 HB ILE 29 9.121 -11.996 -7.606
189 HG12 ILE 29 2HG1 ILE 29 10.805 -10.840 -5.537
190 HG13 ILE 29 3HG1 ILE 29 9.878 -9.607 -6.384
191 HG21 ILE 29 1HG2 ILE 29 11.419 -12.840 -8.329
192 HG22 ILE 29 2HG2 ILE 29 12.037 -12.018 -6.897
193 HG23 ILE 29 3HG2 ILE 29 10.851 -13.312 -6.728
194 HD11 ILE 29 3HD1 ILE 29 8.896 -10.759 -4.283
195 HD12 ILE 29 1HD1 ILE 29 7.862 -10.451 -5.678
196 HD13 ILE 29 2HD1 ILE 29 8.514 -12.067 -5.402
197 H ARG 30 H ARG 30 9.664 -9.346 -10.793
198 HA ARG 30 HA ARG 30 7.859 -8.269 -11.663
199 HB2 ARG 30 2HB ARG 30 6.781 -10.484 -10.935
200 HB3 ARG 30 3HB ARG 30 6.155 -9.584 -9.560
201 HG2 ARG 30 2HG ARG 30 5.281 -7.952 -11.408
202 HG3 ARG 30 3HG ARG 30 5.455 -9.370 -12.444
203 HD2 ARG 30 2HD ARG 30 3.793 -9.126 -9.942
204 HD3 ARG 30 3HD ARG 30 3.210 -9.305 -11.596
205 HE ARG 30 HE ARG 30 4.819 -11.500 -11.064
206 HH11 ARG 30 1HH1 ARG 30 1.852 -10.119 -9.875
207 HH12 ARG 30 2HH1 ARG 30 1.179 -11.644 -9.402
208 HH21 ARG 30 1HH2 ARG 30 3.944 -13.514 -10.445
209 HH22 ARG 30 2HH2 ARG 30 2.370 -13.574 -9.726
210 H GLN 31 H GLN 31 9.342 -6.755 -10.004
211 HA GLN 31 HA GLN 31 9.319 -4.805 -8.835
212 HB2 GLN 31 2HB GLN 31 6.323 -4.801 -9.186
213 HB3 GLN 31 3HB GLN 31 7.378 -3.417 -8.931
214 HG2 GLN 31 2HG GLN 31 8.400 -4.529 -11.214
215 HG3 GLN 31 3HG GLN 31 6.668 -4.808 -11.388
216 HE21 GLN 31 1HE2 GLN 31 8.930 -2.247 -10.435
217 HE22 GLN 31 2HE2 GLN 31 8.078 -0.966 -11.221
218 H THR 32 H THR 32 9.891 -5.196 -6.789
219 HA THR 32 HA THR 32 7.772 -5.632 -4.831
220 HB THR 32 HB THR 32 10.225 -7.394 -4.983
221 HG1 THR 32 HG1 THR 32 8.524 -8.003 -6.408
222 HG21 THR 32 3HG2 THR 32 9.879 -7.123 -2.698
223 HG22 THR 32 1HG2 THR 32 8.932 -8.564 -3.065
224 HG23 THR 32 2HG2 THR 32 8.129 -7.005 -2.876
225 H CYS 33 H CYS 33 8.220 -4.816 -2.793
226 HA CYS 33 HA CYS 33 10.286 -2.813 -2.700
227 HB2 CYS 33 2HB CYS 33 7.817 -3.342 -1.334
228 HB3 CYS 33 3HB CYS 33 9.096 -3.106 -0.147
229 H HIS 34 H HIS 34 12.047 -2.729 -1.320
230 HA HIS 34 HA HIS 34 12.620 -5.036 0.369
231 HB2 HIS 34 2HB HIS 34 13.559 -5.302 -2.053
232 HB3 HIS 34 3HB HIS 34 14.759 -4.125 -1.529
233 HD1 HIS 34 HD1 HIS 34 16.815 -5.182 -0.685
234 HD2 HIS 34 HD2 HIS 34 13.479 -7.562 -0.004
235 HE1 HIS 34 HE1 HIS 34 17.689 -7.264 0.424
236 H CYS 35 H CYS 35 13.423 -4.380 2.249
237 HA CYS 35 HA CYS 35 14.390 -1.630 2.481
238 HB2 CYS 35 2HB CYS 35 13.404 -3.661 4.473
239 HB3 CYS 35 3HB CYS 35 14.258 -2.210 4.989
240 H TYR 36 H TYR 36 16.460 -1.132 2.823
241 HA TYR 36 HA TYR 36 18.294 -2.856 4.163
242 HB2 TYR 36 2HB TYR 36 19.743 -3.448 2.369
243 HB3 TYR 36 3HB TYR 36 18.119 -3.898 1.862
244 HD1 TYR 36 HD2 TYR 36 16.848 -2.042 0.474
245 HD2 TYR 36 HD1 TYR 36 21.075 -2.273 0.891
246 HE1 TYR 36 HE2 TYR 36 17.117 -0.714 -1.579
247 HE2 TYR 36 HE1 TYR 36 21.357 -0.945 -1.159
248 HH TYR 36 HH TYR 36 19.748 0.864 -2.415
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -0.204 -1.641 -0.645
2 HA2 GLY 1 2HA GLY 1 1.472 -0.125 -1.042
3 HA3 GLY 1 3HA GLY 1 2.023 -1.229 -2.294
4 H PHE 2 H PHE 2 1.776 1.781 -2.103
5 HA PHE 2 HA PHE 2 0.498 2.123 -4.719
6 HB2 PHE 2 2HB PHE 2 -0.646 4.125 -4.046
7 HB3 PHE 2 3HB PHE 2 -1.077 2.853 -2.907
8 HD1 PHE 2 HD2 PHE 2 0.414 2.739 -0.753
9 HD2 PHE 2 HD1 PHE 2 0.007 6.173 -3.235
10 HE1 PHE 2 HE2 PHE 2 1.129 4.171 1.116
11 HE2 PHE 2 HE1 PHE 2 0.723 7.610 -1.370
12 HZ PHE 2 HZ PHE 2 1.284 6.609 0.809
13 H GLY 3 H GLY 3 3.275 1.886 -3.924
14 HA2 GLY 3 2HA GLY 3 4.319 4.118 -5.361
15 HA3 GLY 3 3HA GLY 3 4.665 4.255 -3.643
16 H CYS 4 H CYS 4 6.351 3.754 -6.117
17 HA CYS 4 HA CYS 4 8.317 2.169 -4.945
18 HB2 CYS 4 2HB CYS 4 6.226 0.643 -6.217
19 HB3 CYS 4 3HB CYS 4 7.753 0.393 -7.056
20 HA PRO 5 HA PRO 5 9.428 2.799 -9.599
21 HB2 PRO 5 2HB PRO 5 7.479 3.739 -11.238
22 HB3 PRO 5 3HB PRO 5 7.743 2.015 -10.950
23 HG2 PRO 5 2HG PRO 5 5.725 3.854 -9.722
24 HG3 PRO 5 3HG PRO 5 5.514 2.196 -10.314
25 HD2 PRO 5 2HD PRO 5 5.804 2.778 -7.685
26 HD3 PRO 5 3HD PRO 5 6.398 1.266 -8.399
27 H TRP 6 H TRP 6 6.867 5.087 -8.641
28 HA TRP 6 HA TRP 6 8.791 7.277 -9.082
29 HB2 TRP 6 2HB TRP 6 6.410 8.552 -9.253
30 HB3 TRP 6 3HB TRP 6 7.275 7.909 -10.646
31 HD1 TRP 6 HD1 TRP 6 6.170 5.927 -11.954
32 HE1 TRP 6 HE1 TRP 6 3.897 4.732 -11.782
33 HE3 TRP 6 HE3 TRP 6 4.608 7.799 -7.461
34 HZ2 TRP 6 HZ2 TRP 6 1.728 4.601 -9.980
35 HZ3 TRP 6 HZ3 TRP 6 2.421 7.089 -6.583
36 HH2 TRP 6 HH2 TRP 6 1.012 5.524 -7.818
37 H ASN 7 H ASN 7 6.261 5.944 -7.058
38 HA ASN 7 HA ASN 7 6.528 8.108 -5.125
39 HB2 ASN 7 2HB ASN 7 4.536 6.058 -5.721
40 HB3 ASN 7 3HB ASN 7 4.865 6.200 -3.997
41 HD21 ASN 7 1HD2 ASN 7 2.722 6.975 -3.752
42 HD22 ASN 7 2HD2 ASN 7 2.331 8.616 -4.124
43 H ALA 8 H ALA 8 8.718 6.183 -5.698
44 HA ALA 8 HA ALA 8 9.086 4.235 -3.791
45 HB1 ALA 8 1HB ALA 8 11.400 4.370 -4.221
46 HB2 ALA 8 2HB ALA 8 10.608 4.849 -5.722
47 HB3 ALA 8 3HB ALA 8 11.299 6.075 -4.660
48 H TYR 9 H TYR 9 9.296 7.707 -3.431
49 HA TYR 9 HA TYR 9 10.716 7.948 -1.074
50 HB2 TYR 9 2HB TYR 9 8.994 9.598 -2.641
51 HB3 TYR 9 3HB TYR 9 8.535 9.775 -0.951
52 HD1 TYR 9 HD1 TYR 9 11.748 9.491 -2.855
53 HD2 TYR 9 HD2 TYR 9 9.501 11.580 0.094
54 HE1 TYR 9 HE1 TYR 9 13.640 11.025 -2.509
55 HE2 TYR 9 HE2 TYR 9 11.386 13.120 0.447
56 HH TYR 9 HH TYR 9 14.386 12.566 -0.346
57 H GLU 10 H GLU 10 7.472 6.793 -1.585
58 HA GLU 10 HA GLU 10 6.589 7.011 1.110
59 HB2 GLU 10 2HB GLU 10 4.933 6.842 -0.603
60 HB3 GLU 10 3HB GLU 10 5.634 5.354 -1.222
61 HG2 GLU 10 2HG GLU 10 3.542 5.035 0.067
62 HG3 GLU 10 3HG GLU 10 4.920 4.130 0.693
63 H CYS 11 H CYS 11 7.714 4.231 -0.816
64 HA CYS 11 HA CYS 11 7.702 2.403 1.340
65 HB2 CYS 11 2HB CYS 11 7.917 2.112 -1.320
66 HB3 CYS 11 3HB CYS 11 9.620 1.984 -0.890
67 H ASP 12 H ASP 12 9.993 4.769 0.254
68 HA ASP 12 HA ASP 12 12.285 3.703 1.555
69 HB2 ASP 12 2HB ASP 12 12.744 5.248 -0.157
70 HB3 ASP 12 3HB ASP 12 11.577 6.415 0.461
71 H ARG 13 H ARG 13 10.266 6.526 2.394
72 HA ARG 13 HA ARG 13 11.363 6.915 4.942
73 HB2 ARG 13 2HB ARG 13 8.696 7.675 3.759
74 HB3 ARG 13 3HB ARG 13 9.173 8.141 5.386
75 HG2 ARG 13 2HG ARG 13 11.272 8.819 3.582
76 HG3 ARG 13 3HG ARG 13 9.745 9.444 2.956
77 HD2 ARG 13 2HD ARG 13 9.402 10.808 4.780
78 HD3 ARG 13 3HD ARG 13 10.401 9.816 5.841
79 HE ARG 13 HE ARG 13 11.913 11.055 3.756
80 HH11 ARG 13 1HH1 ARG 13 10.486 11.564 6.890
81 HH12 ARG 13 2HH1 ARG 13 11.592 12.822 7.334
82 HH21 ARG 13 1HH2 ARG 13 13.376 12.709 4.328
83 HH22 ARG 13 2HH2 ARG 13 13.235 13.473 5.876
84 H HIS 14 H HIS 14 9.180 4.550 3.789
85 HA HIS 14 HA HIS 14 7.687 3.981 6.086
86 HB2 HIS 14 2HB HIS 14 7.184 3.037 3.866
87 HB3 HIS 14 3HB HIS 14 8.645 2.058 3.954
88 HD1 HIS 14 HD1 HIS 14 5.108 2.024 4.795
89 HD2 HIS 14 HD2 HIS 14 8.533 0.070 6.103
90 HE1 HIS 14 HE1 HIS 14 4.291 0.011 6.060
91 H CYS 15 H CYS 15 10.847 2.776 5.029
92 HA CYS 15 HA CYS 15 11.143 1.234 7.481
93 HB2 CYS 15 2HB CYS 15 13.019 1.571 5.131
94 HB3 CYS 15 3HB CYS 15 13.257 0.461 6.477
95 H VAL 16 H VAL 16 12.333 4.166 5.992
96 HA VAL 16 HA VAL 16 14.579 4.716 7.493
97 HB VAL 16 HB VAL 16 12.478 6.684 6.574
98 HG11 VAL 16 1HG1 VAL 16 14.364 8.316 6.650
99 HG12 VAL 16 2HG1 VAL 16 13.845 7.735 8.234
100 HG13 VAL 16 3HG1 VAL 16 15.317 7.098 7.498
101 HG21 VAL 16 3HG2 VAL 16 13.220 6.314 4.514
102 HG22 VAL 16 1HG2 VAL 16 14.856 6.735 5.019
103 HG23 VAL 16 2HG2 VAL 16 14.303 5.064 5.126
104 H SER 17 H SER 17 11.224 4.864 8.433
105 HA SER 17 HA SER 17 11.693 6.357 10.842
106 HB2 SER 17 2HB SER 17 9.447 5.691 9.336
107 HB3 SER 17 3HB SER 17 9.244 4.782 10.833
108 HG SER 17 HG SER 17 8.563 7.184 10.582
109 H LYS 18 H LYS 18 11.414 2.972 9.955
110 HA LYS 18 HA LYS 18 11.292 1.959 12.610
111 HB2 LYS 18 2HB LYS 18 11.797 0.788 9.907
112 HB3 LYS 18 3HB LYS 18 12.179 -0.171 11.330
113 HG2 LYS 18 2HG LYS 18 10.055 -0.856 11.120
114 HG3 LYS 18 3HG LYS 18 9.692 0.653 11.962
115 HD2 LYS 18 2HD LYS 18 8.666 1.510 10.172
116 HD3 LYS 18 3HD LYS 18 9.981 1.032 9.096
117 HE2 LYS 18 2HE LYS 18 8.441 -0.358 8.228
118 HE3 LYS 18 3HE LYS 18 8.850 -1.372 9.611
119 HZ1 LYS 18 3HZ LYS 18 6.636 -1.282 9.931
120 HZ2 LYS 18 1HZ LYS 18 6.445 0.175 9.092
121 HZ3 LYS 18 2HZ LYS 18 6.996 0.186 10.691
122 H GLY 19 H GLY 19 13.914 2.644 10.358
123 HA2 GLY 19 2HA GLY 19 15.922 3.349 11.893
124 HA3 GLY 19 3HA GLY 19 15.878 1.637 12.285
125 H TYR 20 H TYR 20 15.240 0.634 9.729
126 HA TYR 20 HA TYR 20 17.739 0.275 8.608
127 HB2 TYR 20 2HB TYR 20 15.137 0.146 7.077
128 HB3 TYR 20 3HB TYR 20 16.626 -0.722 6.720
129 HD1 TYR 20 HD2 TYR 20 17.433 -2.450 8.419
130 HD2 TYR 20 HD1 TYR 20 13.512 -0.800 8.475
131 HE1 TYR 20 HE2 TYR 20 16.661 -4.345 9.783
132 HE2 TYR 20 HE1 TYR 20 12.729 -2.690 9.841
133 HH TYR 20 HH TYR 20 14.228 -5.493 10.131
134 H THR 21 H THR 21 18.510 0.918 6.447
135 HA THR 21 HA THR 21 18.814 3.667 6.204
136 HB THR 21 HB THR 21 20.312 1.961 5.164
137 HG1 THR 21 HG1 THR 21 20.810 3.301 3.436
138 HG21 THR 21 3HG2 THR 21 19.726 1.079 2.954
139 HG22 THR 21 1HG2 THR 21 18.131 1.819 3.078
140 HG23 THR 21 2HG2 THR 21 18.590 0.523 4.183
141 H GLY 22 H GLY 22 16.368 1.549 4.880
142 HA2 GLY 22 2HA GLY 22 14.303 3.157 4.544
143 HA3 GLY 22 3HA GLY 22 15.298 3.685 3.195
144 H GLY 23 H GLY 23 12.680 2.509 3.043
145 HA2 GLY 23 2HA GLY 23 13.146 -0.195 2.042
146 HA3 GLY 23 3HA GLY 23 11.584 0.586 2.241
147 H ASN 24 H ASN 24 13.851 -0.425 0.028
148 HA ASN 24 HA ASN 24 12.759 1.373 -2.036
149 HB2 ASN 24 2HB ASN 24 15.367 -0.034 -2.434
150 HB3 ASN 24 3HB ASN 24 14.809 1.496 -3.103
151 HD21 ASN 24 1HD2 ASN 24 14.070 2.896 -0.921
152 HD22 ASN 24 2HD2 ASN 24 15.430 3.171 0.108
153 H CYS 25 H CYS 25 12.236 0.477 -4.051
154 HA CYS 25 HA CYS 25 11.673 -2.395 -3.946
155 HB2 CYS 25 2HB CYS 25 10.659 -0.414 -5.986
156 HB3 CYS 25 3HB CYS 25 10.018 -2.014 -5.625
157 H ARG 26 H ARG 26 12.132 -3.765 -5.731
158 HA ARG 26 HA ARG 26 13.882 -2.781 -7.825
159 HB2 ARG 26 2HB ARG 26 14.791 -4.642 -5.650
160 HB3 ARG 26 3HB ARG 26 15.503 -4.729 -7.256
161 HG2 ARG 26 2HG ARG 26 15.452 -2.280 -5.505
162 HG3 ARG 26 3HG ARG 26 16.830 -3.362 -5.719
163 HD2 ARG 26 2HD ARG 26 15.878 -2.583 -8.287
164 HD3 ARG 26 3HD ARG 26 16.070 -1.135 -7.299
165 HE ARG 26 HE ARG 26 18.322 -2.906 -7.162
166 HH11 ARG 26 1HH1 ARG 26 16.824 -0.339 -8.975
167 HH12 ARG 26 2HH1 ARG 26 18.311 0.210 -9.675
168 HH21 ARG 26 1HH2 ARG 26 20.286 -2.193 -8.078
169 HH22 ARG 26 2HH2 ARG 26 20.279 -0.846 -9.166
170 H GLY 27 H GLY 27 14.516 -4.651 -9.320
171 HA2 GLY 27 2HA GLY 27 12.088 -6.161 -9.859
172 HA3 GLY 27 3HA GLY 27 13.475 -5.997 -10.926
173 H LYS 28 H LYS 28 13.189 -7.151 -7.573
174 HA LYS 28 HA LYS 28 14.922 -9.377 -8.143
175 HB2 LYS 28 2HB LYS 28 14.458 -9.966 -5.737
176 HB3 LYS 28 3HB LYS 28 15.161 -8.374 -5.994
177 HG2 LYS 28 2HG LYS 28 12.232 -8.416 -5.953
178 HG3 LYS 28 3HG LYS 28 13.001 -8.889 -4.436
179 HD2 LYS 28 2HD LYS 28 13.998 -6.463 -5.850
180 HD3 LYS 28 3HD LYS 28 12.470 -6.362 -4.973
181 HE2 LYS 28 2HE LYS 28 13.992 -5.746 -3.351
182 HE3 LYS 28 3HE LYS 28 13.816 -7.473 -3.043
183 HZ1 LYS 28 3HZ LYS 28 15.875 -7.930 -3.954
184 HZ2 LYS 28 1HZ LYS 28 16.160 -6.467 -3.153
185 HZ3 LYS 28 2HZ LYS 28 15.941 -6.485 -4.830
186 H ILE 29 H ILE 29 11.486 -8.855 -7.695
187 HA ILE 29 HA ILE 29 10.936 -11.465 -8.822
188 HB ILE 29 HB ILE 29 9.266 -11.962 -6.962
189 HG12 ILE 29 2HG1 ILE 29 11.069 -10.301 -5.230
190 HG13 ILE 29 3HG1 ILE 29 9.674 -9.565 -6.011
191 HG21 ILE 29 1HG2 ILE 29 12.047 -12.120 -5.900
192 HG22 ILE 29 2HG2 ILE 29 10.778 -13.343 -5.920
193 HG23 ILE 29 3HG2 ILE 29 11.648 -12.952 -7.403
194 HD11 ILE 29 3HD1 ILE 29 9.769 -11.015 -3.601
195 HD12 ILE 29 1HD1 ILE 29 8.362 -10.321 -4.406
196 HD13 ILE 29 2HD1 ILE 29 8.850 -11.980 -4.755
197 H ARG 30 H ARG 30 10.203 -9.919 -10.462
198 HA ARG 30 HA ARG 30 8.536 -8.902 -11.628
199 HB2 ARG 30 2HB ARG 30 7.263 -10.887 -10.563
200 HB3 ARG 30 3HB ARG 30 6.596 -9.682 -9.469
201 HG2 ARG 30 2HG ARG 30 5.039 -9.233 -10.973
202 HG3 ARG 30 3HG ARG 30 6.297 -8.649 -12.064
203 HD2 ARG 30 2HD ARG 30 6.619 -11.145 -12.650
204 HD3 ARG 30 3HD ARG 30 5.028 -11.359 -11.919
205 HE ARG 30 HE ARG 30 4.912 -9.267 -13.792
206 HH11 ARG 30 1HH1 ARG 30 5.270 -12.727 -13.644
207 HH12 ARG 30 2HH1 ARG 30 4.552 -12.998 -15.197
208 HH21 ARG 30 1HH2 ARG 30 3.965 -9.612 -15.838
209 HH22 ARG 30 2HH2 ARG 30 3.811 -11.226 -16.445
210 H GLN 31 H GLN 31 10.053 -7.378 -9.775
211 HA GLN 31 HA GLN 31 10.120 -5.281 -8.897
212 HB2 GLN 31 2HB GLN 31 7.322 -4.888 -9.949
213 HB3 GLN 31 3HB GLN 31 8.542 -3.660 -9.641
214 HG2 GLN 31 2HG GLN 31 9.917 -4.866 -11.442
215 HG3 GLN 31 3HG GLN 31 8.394 -5.640 -11.877
216 HE21 GLN 31 1HE2 GLN 31 6.679 -4.345 -12.640
217 HE22 GLN 31 2HE2 GLN 31 6.974 -2.787 -13.325
218 H THR 32 H THR 32 10.143 -5.384 -6.743
219 HA THR 32 HA THR 32 7.619 -5.158 -5.315
220 HB THR 32 HB THR 32 8.103 -7.607 -5.416
221 HG1 THR 32 HG1 THR 32 8.421 -6.715 -2.750
222 HG21 THR 32 3HG2 THR 32 10.531 -7.538 -5.391
223 HG22 THR 32 1HG2 THR 32 9.944 -8.475 -4.019
224 HG23 THR 32 2HG2 THR 32 10.517 -6.824 -3.779
225 H CYS 33 H CYS 33 7.951 -4.628 -3.004
226 HA CYS 33 HA CYS 33 10.127 -2.740 -2.743
227 HB2 CYS 33 2HB CYS 33 7.509 -2.931 -1.733
228 HB3 CYS 33 3HB CYS 33 8.570 -3.069 -0.335
229 H HIS 34 H HIS 34 11.645 -2.719 -1.032
230 HA HIS 34 HA HIS 34 11.896 -4.970 0.736
231 HB2 HIS 34 2HB HIS 34 12.872 -5.576 -1.641
232 HB3 HIS 34 3HB HIS 34 14.246 -4.629 -1.080
233 HD1 HIS 34 HD1 HIS 34 15.943 -5.892 0.203
234 HD2 HIS 34 HD2 HIS 34 12.236 -7.766 0.273
235 HE1 HIS 34 HE1 HIS 34 16.309 -8.062 1.421
236 H CYS 35 H CYS 35 13.051 -4.453 2.518
237 HA CYS 35 HA CYS 35 14.231 -1.771 2.586
238 HB2 CYS 35 2HB CYS 35 13.245 -3.618 4.761
239 HB3 CYS 35 3HB CYS 35 14.138 -2.138 5.099
240 H TYR 36 H TYR 36 16.338 -1.411 3.046
241 HA TYR 36 HA TYR 36 18.061 -3.779 3.244
242 HB2 TYR 36 2HB TYR 36 18.784 -0.941 2.486
243 HB3 TYR 36 3HB TYR 36 19.864 -2.329 2.445
244 HD1 TYR 36 HD1 TYR 36 18.923 -4.364 0.988
245 HD2 TYR 36 HD2 TYR 36 17.818 -0.285 0.499
246 HE1 TYR 36 HE1 TYR 36 18.240 -4.834 -1.327
247 HE2 TYR 36 HE2 TYR 36 17.130 -0.743 -1.818
248 HH TYR 36 HH TYR 36 17.470 -2.319 -3.561
Start of MODEL 14
1 H1 GLY 1 H GLY 1 0.354 -1.153 -1.360
2 HA2 GLY 1 2HA GLY 1 2.487 -0.230 -1.732
3 HA3 GLY 1 3HA GLY 1 2.632 -1.207 -3.185
4 H PHE 2 H PHE 2 2.200 1.871 -2.038
5 HA PHE 2 HA PHE 2 1.051 2.756 -4.603
6 HB2 PHE 2 2HB PHE 2 0.829 4.278 -2.006
7 HB3 PHE 2 3HB PHE 2 -0.036 4.576 -3.510
8 HD1 PHE 2 HD2 PHE 2 0.229 2.373 -0.583
9 HD2 PHE 2 HD1 PHE 2 -1.996 3.345 -4.079
10 HE1 PHE 2 HE2 PHE 2 -1.626 0.966 0.211
11 HE2 PHE 2 HE1 PHE 2 -3.856 1.940 -3.290
12 HZ PHE 2 HZ PHE 2 -3.672 0.748 -1.143
13 H GLY 3 H GLY 3 3.602 2.433 -4.829
14 HA2 GLY 3 2HA GLY 3 4.769 4.713 -5.634
15 HA3 GLY 3 3HA GLY 3 5.107 4.737 -3.910
16 H CYS 4 H CYS 4 6.822 4.423 -6.381
17 HA CYS 4 HA CYS 4 8.770 2.743 -5.309
18 HB2 CYS 4 2HB CYS 4 6.704 1.337 -6.748
19 HB3 CYS 4 3HB CYS 4 8.248 1.157 -7.575
20 HA PRO 5 HA PRO 5 9.973 3.769 -9.868
21 HB2 PRO 5 2HB PRO 5 8.055 4.840 -11.463
22 HB3 PRO 5 3HB PRO 5 8.319 3.098 -11.314
23 HG2 PRO 5 2HG PRO 5 6.270 4.823 -9.979
24 HG3 PRO 5 3HG PRO 5 6.077 3.220 -10.712
25 HD2 PRO 5 2HD PRO 5 6.310 3.581 -8.039
26 HD3 PRO 5 3HD PRO 5 6.925 2.134 -8.865
27 H TRP 6 H TRP 6 7.390 5.960 -8.758
28 HA TRP 6 HA TRP 6 9.314 8.183 -8.973
29 HB2 TRP 6 2HB TRP 6 6.931 9.464 -9.096
30 HB3 TRP 6 3HB TRP 6 7.839 8.949 -10.515
31 HD1 TRP 6 HD1 TRP 6 6.785 7.081 -12.021
32 HE1 TRP 6 HE1 TRP 6 4.515 5.869 -12.020
33 HE3 TRP 6 HE3 TRP 6 5.081 8.554 -7.432
34 HZ2 TRP 6 HZ2 TRP 6 2.295 5.577 -10.301
35 HZ3 TRP 6 HZ3 TRP 6 2.874 7.765 -6.684
36 HH2 TRP 6 HH2 TRP 6 1.511 6.307 -8.091
37 H ASN 7 H ASN 7 6.722 6.694 -7.141
38 HA ASN 7 HA ASN 7 6.945 8.681 -5.023
39 HB2 ASN 7 2HB ASN 7 4.968 6.686 -5.838
40 HB3 ASN 7 3HB ASN 7 5.239 6.714 -4.098
41 HD21 ASN 7 1HD2 ASN 7 3.078 7.472 -3.895
42 HD22 ASN 7 2HD2 ASN 7 2.706 9.137 -4.164
43 H ALA 8 H ALA 8 9.102 6.712 -5.736
44 HA ALA 8 HA ALA 8 9.384 4.654 -3.926
45 HB1 ALA 8 1HB ALA 8 11.143 6.209 -5.619
46 HB2 ALA 8 2HB ALA 8 11.941 5.708 -4.128
47 HB3 ALA 8 3HB ALA 8 11.212 4.500 -5.186
48 H TYR 9 H TYR 9 9.796 8.094 -3.419
49 HA TYR 9 HA TYR 9 11.213 8.126 -1.042
50 HB2 TYR 9 2HB TYR 9 9.902 10.005 -2.598
51 HB3 TYR 9 3HB TYR 9 9.039 10.073 -1.066
52 HD1 TYR 9 HD2 TYR 9 12.616 9.755 -2.127
53 HD2 TYR 9 HD1 TYR 9 9.771 11.740 0.337
54 HE1 TYR 9 HE2 TYR 9 14.412 11.147 -1.185
55 HE2 TYR 9 HE1 TYR 9 11.559 13.138 1.285
56 HH TYR 9 HH TYR 9 14.160 12.850 1.580
57 H GLU 10 H GLU 10 7.908 7.233 -1.639
58 HA GLU 10 HA GLU 10 7.010 7.421 1.061
59 HB2 GLU 10 2HB GLU 10 5.363 7.487 -0.668
60 HB3 GLU 10 3HB GLU 10 5.933 5.972 -1.356
61 HG2 GLU 10 2HG GLU 10 3.786 5.881 -0.033
62 HG3 GLU 10 3HG GLU 10 5.028 4.706 0.396
63 H CYS 11 H CYS 11 8.009 4.690 -0.991
64 HA CYS 11 HA CYS 11 7.796 2.766 1.099
65 HB2 CYS 11 2HB CYS 11 7.865 2.507 -1.542
66 HB3 CYS 11 3HB CYS 11 9.588 2.304 -1.242
67 H ASP 12 H ASP 12 10.229 5.002 0.120
68 HA ASP 12 HA ASP 12 12.426 3.638 1.371
69 HB2 ASP 12 2HB ASP 12 12.973 5.079 -0.449
70 HB3 ASP 12 3HB ASP 12 12.093 6.426 0.267
71 H ARG 13 H ARG 13 10.647 6.637 2.126
72 HA ARG 13 HA ARG 13 11.840 7.131 4.597
73 HB2 ARG 13 2HB ARG 13 10.115 8.692 4.985
74 HB3 ARG 13 3HB ARG 13 10.318 8.659 3.238
75 HG2 ARG 13 2HG ARG 13 8.066 8.537 3.302
76 HG3 ARG 13 3HG ARG 13 8.409 6.813 3.462
77 HD2 ARG 13 2HD ARG 13 7.155 6.897 5.309
78 HD3 ARG 13 3HD ARG 13 8.530 7.707 6.057
79 HE ARG 13 HE ARG 13 7.165 9.736 4.895
80 HH11 ARG 13 1HH1 ARG 13 6.267 7.175 7.075
81 HH12 ARG 13 2HH1 ARG 13 5.016 8.092 7.846
82 HH21 ARG 13 1HH2 ARG 13 5.521 10.955 5.902
83 HH22 ARG 13 2HH2 ARG 13 4.592 10.242 7.177
84 H HIS 14 H HIS 14 9.475 4.797 3.683
85 HA HIS 14 HA HIS 14 8.155 4.348 6.097
86 HB2 HIS 14 2HB HIS 14 7.381 3.303 4.065
87 HB3 HIS 14 3HB HIS 14 8.892 2.415 3.893
88 HD1 HIS 14 HD1 HIS 14 5.808 2.539 6.069
89 HD2 HIS 14 HD2 HIS 14 8.984 0.005 5.202
90 HE1 HIS 14 HE1 HIS 14 5.260 0.362 7.204
91 H CYS 15 H CYS 15 11.209 3.020 4.888
92 HA CYS 15 HA CYS 15 11.630 1.566 7.375
93 HB2 CYS 15 2HB CYS 15 13.374 1.770 4.911
94 HB3 CYS 15 3HB CYS 15 13.644 0.689 6.274
95 H VAL 16 H VAL 16 12.766 4.420 5.710
96 HA VAL 16 HA VAL 16 15.122 4.968 7.041
97 HB VAL 16 HB VAL 16 13.015 6.959 6.187
98 HG11 VAL 16 1HG1 VAL 16 15.091 8.449 5.985
99 HG12 VAL 16 2HG1 VAL 16 14.450 8.146 7.601
100 HG13 VAL 16 3HG1 VAL 16 15.875 7.272 7.038
101 HG21 VAL 16 3HG2 VAL 16 15.421 6.618 4.554
102 HG22 VAL 16 1HG2 VAL 16 14.372 5.201 4.601
103 HG23 VAL 16 2HG2 VAL 16 13.730 6.755 4.070
104 H SER 17 H SER 17 11.842 5.212 8.185
105 HA SER 17 HA SER 17 12.487 6.796 10.495
106 HB2 SER 17 2HB SER 17 10.098 5.875 11.165
107 HB3 SER 17 3HB SER 17 10.273 7.111 9.919
108 HG SER 17 HG SER 17 8.941 5.113 9.486
109 H LYS 18 H LYS 18 11.975 3.377 9.805
110 HA LYS 18 HA LYS 18 12.035 2.474 12.483
111 HB2 LYS 18 2HB LYS 18 12.397 1.185 9.808
112 HB3 LYS 18 3HB LYS 18 12.813 0.278 11.256
113 HG2 LYS 18 2HG LYS 18 10.665 -0.364 11.143
114 HG3 LYS 18 3HG LYS 18 10.375 1.178 11.952
115 HD2 LYS 18 2HD LYS 18 9.324 2.031 10.169
116 HD3 LYS 18 3HD LYS 18 10.551 1.427 9.053
117 HE2 LYS 18 2HE LYS 18 8.714 0.227 8.375
118 HE3 LYS 18 3HE LYS 18 9.425 -0.884 9.545
119 HZ1 LYS 18 3HZ LYS 18 7.287 1.050 10.238
120 HZ2 LYS 18 1HZ LYS 18 7.850 -0.246 11.170
121 HZ3 LYS 18 2HZ LYS 18 6.974 -0.540 9.753
122 H GLY 19 H GLY 19 14.551 2.990 10.063
123 HA2 GLY 19 2HA GLY 19 16.643 3.726 11.488
124 HA3 GLY 19 3HA GLY 19 16.596 2.022 11.917
125 H TYR 20 H TYR 20 15.827 0.962 9.431
126 HA TYR 20 HA TYR 20 18.256 0.554 8.186
127 HB2 TYR 20 2HB TYR 20 15.574 0.421 6.799
128 HB3 TYR 20 3HB TYR 20 17.034 -0.469 6.379
129 HD1 TYR 20 HD1 TYR 20 17.973 -2.030 8.274
130 HD2 TYR 20 HD2 TYR 20 13.963 -0.621 8.094
131 HE1 TYR 20 HE1 TYR 20 17.262 -3.889 9.719
132 HE2 TYR 20 HE2 TYR 20 13.240 -2.475 9.539
133 HH TYR 20 HH TYR 20 13.869 -4.496 10.394
134 H THR 21 H THR 21 18.776 1.082 5.860
135 HA THR 21 HA THR 21 19.121 3.856 5.573
136 HB THR 21 HB THR 21 20.588 2.120 4.531
137 HG1 THR 21 HG1 THR 21 21.001 3.405 2.731
138 HG21 THR 21 3HG2 THR 21 19.967 0.994 2.547
139 HG22 THR 21 1HG2 THR 21 18.504 1.961 2.363
140 HG23 THR 21 2HG2 THR 21 18.617 0.770 3.659
141 H GLY 22 H GLY 22 16.628 1.684 4.452
142 HA2 GLY 22 2HA GLY 22 14.527 3.213 4.139
143 HA3 GLY 22 3HA GLY 22 15.464 3.781 2.765
144 H GLY 23 H GLY 23 12.855 2.361 2.922
145 HA2 GLY 23 2HA GLY 23 13.406 -0.253 1.786
146 HA3 GLY 23 3HA GLY 23 11.820 0.444 2.083
147 H ASN 24 H ASN 24 13.862 -0.543 -0.283
148 HA ASN 24 HA ASN 24 12.664 1.297 -2.250
149 HB2 ASN 24 2HB ASN 24 15.208 -0.154 -2.853
150 HB3 ASN 24 3HB ASN 24 14.630 1.393 -3.466
151 HD21 ASN 24 1HD2 ASN 24 14.096 2.802 -1.242
152 HD22 ASN 24 2HD2 ASN 24 15.532 3.036 -0.309
153 H CYS 25 H CYS 25 12.447 0.340 -4.449
154 HA CYS 25 HA CYS 25 11.537 -2.444 -4.218
155 HB2 CYS 25 2HB CYS 25 10.829 -0.480 -6.399
156 HB3 CYS 25 3HB CYS 25 10.028 -2.001 -6.019
157 H ARG 26 H ARG 26 12.551 -4.015 -5.282
158 HA ARG 26 HA ARG 26 14.375 -3.266 -7.472
159 HB2 ARG 26 2HB ARG 26 14.773 -5.284 -5.265
160 HB3 ARG 26 3HB ARG 26 15.748 -5.268 -6.728
161 HG2 ARG 26 2HG ARG 26 15.589 -2.671 -5.409
162 HG3 ARG 26 3HG ARG 26 16.321 -3.933 -4.415
163 HD2 ARG 26 2HD ARG 26 17.881 -2.581 -5.903
164 HD3 ARG 26 3HD ARG 26 18.018 -4.337 -5.986
165 HE ARG 26 HE ARG 26 16.255 -3.187 -7.955
166 HH11 ARG 26 1HH1 ARG 26 19.525 -4.115 -7.199
167 HH12 ARG 26 2HH1 ARG 26 20.002 -4.271 -8.857
168 HH21 ARG 26 1HH2 ARG 26 16.872 -3.390 -10.142
169 HH22 ARG 26 2HH2 ARG 26 18.493 -3.858 -10.530
170 H GLY 27 H GLY 27 15.028 -5.425 -8.690
171 HA2 GLY 27 2HA GLY 27 12.491 -6.554 -9.599
172 HA3 GLY 27 3HA GLY 27 14.033 -6.653 -10.437
173 H LYS 28 H LYS 28 13.495 -7.460 -7.054
174 HA LYS 28 HA LYS 28 14.901 -9.829 -7.069
175 HB2 LYS 28 2HB LYS 28 13.434 -10.424 -5.050
176 HB3 LYS 28 3HB LYS 28 14.382 -8.945 -4.960
177 HG2 LYS 28 2HG LYS 28 11.695 -8.577 -6.056
178 HG3 LYS 28 3HG LYS 28 11.731 -9.148 -4.386
179 HD2 LYS 28 2HD LYS 28 13.566 -6.932 -5.097
180 HD3 LYS 28 3HD LYS 28 11.842 -6.558 -5.033
181 HE2 LYS 28 2HE LYS 28 11.942 -6.461 -2.817
182 HE3 LYS 28 3HE LYS 28 12.489 -8.136 -2.762
183 HZ1 LYS 28 3HZ LYS 28 14.266 -7.158 -1.798
184 HZ2 LYS 28 1HZ LYS 28 14.031 -5.670 -2.569
185 HZ3 LYS 28 2HZ LYS 28 14.755 -6.951 -3.404
186 H ILE 29 H ILE 29 11.602 -9.234 -8.038
187 HA ILE 29 HA ILE 29 11.472 -11.866 -9.240
188 HB ILE 29 HB ILE 29 9.157 -12.241 -8.229
189 HG12 ILE 29 2HG1 ILE 29 10.266 -10.276 -6.213
190 HG13 ILE 29 3HG1 ILE 29 8.864 -10.020 -7.246
191 HG21 ILE 29 1HG2 ILE 29 11.518 -12.450 -6.368
192 HG22 ILE 29 2HG2 ILE 29 10.057 -13.436 -6.340
193 HG23 ILE 29 3HG2 ILE 29 11.180 -13.561 -7.695
194 HD11 ILE 29 3HD1 ILE 29 7.625 -10.800 -5.589
195 HD12 ILE 29 1HD1 ILE 29 8.328 -12.388 -5.896
196 HD13 ILE 29 2HD1 ILE 29 9.049 -11.323 -4.689
197 H ARG 30 H ARG 30 9.827 -8.816 -8.533
198 HA ARG 30 HA ARG 30 9.289 -8.245 -11.229
199 HB2 ARG 30 2HB ARG 30 7.613 -10.176 -10.538
200 HB3 ARG 30 3HB ARG 30 6.714 -8.835 -9.841
201 HG2 ARG 30 2HG ARG 30 6.993 -7.743 -12.164
202 HG3 ARG 30 3HG ARG 30 7.369 -9.380 -12.705
203 HD2 ARG 30 2HD ARG 30 4.862 -8.550 -11.246
204 HD3 ARG 30 3HD ARG 30 4.988 -8.820 -12.984
205 HE ARG 30 HE ARG 30 5.834 -11.085 -11.459
206 HH11 ARG 30 1HH1 ARG 30 3.056 -9.414 -12.728
207 HH12 ARG 30 2HH1 ARG 30 2.060 -10.832 -12.772
208 HH21 ARG 30 1HH2 ARG 30 4.533 -12.958 -11.511
209 HH22 ARG 30 2HH2 ARG 30 2.901 -12.847 -12.078
210 H GLN 31 H GLN 31 10.417 -6.623 -9.560
211 HA GLN 31 HA GLN 31 10.367 -4.524 -8.686
212 HB2 GLN 31 2HB GLN 31 7.526 -4.341 -9.686
213 HB3 GLN 31 3HB GLN 31 8.645 -3.018 -9.380
214 HG2 GLN 31 2HG GLN 31 9.933 -4.648 -11.238
215 HG3 GLN 31 3HG GLN 31 8.252 -4.575 -11.764
216 HE21 GLN 31 1HE2 GLN 31 7.442 -2.120 -11.193
217 HE22 GLN 31 2HE2 GLN 31 8.394 -0.930 -12.006
218 H THR 32 H THR 32 10.354 -5.855 -6.652
219 HA THR 32 HA THR 32 7.886 -5.387 -5.110
220 HB THR 32 HB THR 32 10.044 -7.369 -4.390
221 HG1 THR 32 HG1 THR 32 8.185 -8.823 -5.214
222 HG21 THR 32 3HG2 THR 32 7.911 -8.366 -3.244
223 HG22 THR 32 1HG2 THR 32 7.306 -6.717 -3.385
224 HG23 THR 32 2HG2 THR 32 8.786 -7.038 -2.482
225 H CYS 33 H CYS 33 7.994 -4.371 -3.142
226 HA CYS 33 HA CYS 33 10.308 -2.719 -2.688
227 HB2 CYS 33 2HB CYS 33 7.538 -2.654 -1.992
228 HB3 CYS 33 3HB CYS 33 8.484 -2.540 -0.511
229 H HIS 34 H HIS 34 11.677 -2.742 -0.917
230 HA HIS 34 HA HIS 34 11.384 -4.676 1.188
231 HB2 HIS 34 2HB HIS 34 12.431 -5.813 -0.959
232 HB3 HIS 34 3HB HIS 34 13.900 -5.032 -0.383
233 HD1 HIS 34 HD1 HIS 34 11.433 -7.706 0.521
234 HD2 HIS 34 HD2 HIS 34 15.035 -6.157 1.896
235 HE1 HIS 34 HE1 HIS 34 12.248 -9.335 2.255
236 H CYS 35 H CYS 35 12.968 -4.429 2.861
237 HA CYS 35 HA CYS 35 14.182 -1.760 2.836
238 HB2 CYS 35 2HB CYS 35 13.423 -3.628 5.083
239 HB3 CYS 35 3HB CYS 35 14.360 -2.160 5.337
240 H TYR 36 H TYR 36 16.311 -1.509 2.711
241 HA TYR 36 HA TYR 36 18.177 -3.307 3.893
242 HB2 TYR 36 2HB TYR 36 19.201 -4.240 1.959
243 HB3 TYR 36 3HB TYR 36 17.474 -4.533 1.789
244 HD1 TYR 36 HD2 TYR 36 16.230 -2.457 0.542
245 HD2 TYR 36 HD1 TYR 36 20.299 -3.597 0.045
246 HE1 TYR 36 HE2 TYR 36 16.259 -1.369 -1.663
247 HE2 TYR 36 HE1 TYR 36 20.340 -2.511 -2.162
248 HH TYR 36 HH TYR 36 18.662 -0.373 -3.191
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.137 -2.507 -3.240
2 HA2 GLY 1 2HA GLY 1 1.761 -0.494 -1.286
3 HA3 GLY 1 3HA GLY 1 2.787 -1.013 -2.615
4 H PHE 2 H PHE 2 1.774 1.672 -1.470
5 HA PHE 2 HA PHE 2 0.718 2.794 -3.972
6 HB2 PHE 2 2HB PHE 2 0.821 4.150 -1.275
7 HB3 PHE 2 3HB PHE 2 -0.107 4.640 -2.689
8 HD1 PHE 2 HD2 PHE 2 0.130 2.216 0.057
9 HD2 PHE 2 HD1 PHE 2 -2.203 3.624 -3.213
10 HE1 PHE 2 HE2 PHE 2 -1.796 0.924 0.879
11 HE2 PHE 2 HE1 PHE 2 -4.133 2.335 -2.395
12 HZ PHE 2 HZ PHE 2 -3.930 0.982 -0.348
13 H GLY 3 H GLY 3 3.167 2.339 -4.508
14 HA2 GLY 3 2HA GLY 3 4.490 4.436 -5.355
15 HA3 GLY 3 3HA GLY 3 4.856 4.573 -3.641
16 H CYS 4 H CYS 4 6.498 3.981 -6.125
17 HA CYS 4 HA CYS 4 8.407 2.325 -4.955
18 HB2 CYS 4 2HB CYS 4 6.244 0.878 -6.197
19 HB3 CYS 4 3HB CYS 4 7.752 0.557 -7.046
20 HA PRO 5 HA PRO 5 9.504 2.870 -9.623
21 HB2 PRO 5 2HB PRO 5 7.582 3.877 -11.255
22 HB3 PRO 5 3HB PRO 5 7.776 2.146 -10.954
23 HG2 PRO 5 2HG PRO 5 5.847 4.077 -9.725
24 HG3 PRO 5 3HG PRO 5 5.562 2.425 -10.301
25 HD2 PRO 5 2HD PRO 5 5.899 3.016 -7.680
26 HD3 PRO 5 3HD PRO 5 6.424 1.474 -8.386
27 H TRP 6 H TRP 6 7.048 5.271 -8.665
28 HA TRP 6 HA TRP 6 9.057 7.375 -9.141
29 HB2 TRP 6 2HB TRP 6 6.730 8.747 -9.302
30 HB3 TRP 6 3HB TRP 6 7.555 8.057 -10.697
31 HD1 TRP 6 HD1 TRP 6 6.357 6.111 -11.978
32 HE1 TRP 6 HE1 TRP 6 4.038 5.013 -11.776
33 HE3 TRP 6 HE3 TRP 6 4.914 8.084 -7.488
34 HZ2 TRP 6 HZ2 TRP 6 1.881 4.988 -9.954
35 HZ3 TRP 6 HZ3 TRP 6 2.708 7.473 -6.586
36 HH2 TRP 6 HH2 TRP 6 1.224 5.958 -7.795
37 H ASN 7 H ASN 7 6.493 6.165 -7.083
38 HA ASN 7 HA ASN 7 6.867 8.332 -5.171
39 HB2 ASN 7 2HB ASN 7 4.786 6.361 -5.733
40 HB3 ASN 7 3HB ASN 7 5.137 6.504 -4.013
41 HD21 ASN 7 1HD2 ASN 7 3.007 7.357 -3.793
42 HD22 ASN 7 2HD2 ASN 7 2.690 9.014 -4.162
43 H ALA 8 H ALA 8 8.972 6.317 -5.745
44 HA ALA 8 HA ALA 8 9.277 4.369 -3.828
45 HB1 ALA 8 1HB ALA 8 11.547 6.120 -4.738
46 HB2 ALA 8 2HB ALA 8 11.598 4.421 -4.266
47 HB3 ALA 8 3HB ALA 8 10.808 4.895 -5.770
48 H TYR 9 H TYR 9 9.628 7.832 -3.492
49 HA TYR 9 HA TYR 9 11.073 8.032 -1.148
50 HB2 TYR 9 2HB TYR 9 9.448 9.745 -2.724
51 HB3 TYR 9 3HB TYR 9 8.934 9.932 -1.051
52 HD1 TYR 9 HD2 TYR 9 10.674 10.531 0.686
53 HD2 TYR 9 HD1 TYR 9 11.447 10.724 -3.494
54 HE1 TYR 9 HE2 TYR 9 12.594 12.007 1.115
55 HE2 TYR 9 HE1 TYR 9 13.370 12.200 -3.076
56 HH TYR 9 HH TYR 9 14.874 12.516 -0.295
57 H GLU 10 H GLU 10 7.782 7.003 -1.626
58 HA GLU 10 HA GLU 10 6.937 7.268 1.079
59 HB2 GLU 10 2HB GLU 10 5.255 7.173 -0.616
60 HB3 GLU 10 3HB GLU 10 5.881 5.654 -1.241
61 HG2 GLU 10 2HG GLU 10 3.764 5.541 0.136
62 HG3 GLU 10 3HG GLU 10 5.062 4.434 0.580
63 H CYS 11 H CYS 11 7.922 4.443 -0.859
64 HA CYS 11 HA CYS 11 7.849 2.616 1.299
65 HB2 CYS 11 2HB CYS 11 8.027 2.320 -1.366
66 HB3 CYS 11 3HB CYS 11 9.723 2.106 -0.947
67 H ASP 12 H ASP 12 10.217 4.895 0.208
68 HA ASP 12 HA ASP 12 12.475 3.720 1.486
69 HB2 ASP 12 2HB ASP 12 13.015 5.220 -0.232
70 HB3 ASP 12 3HB ASP 12 11.885 6.439 0.352
71 H ARG 13 H ARG 13 10.607 6.648 2.313
72 HA ARG 13 HA ARG 13 11.739 7.008 4.847
73 HB2 ARG 13 2HB ARG 13 9.099 7.879 3.680
74 HB3 ARG 13 3HB ARG 13 9.614 8.340 5.298
75 HG2 ARG 13 2HG ARG 13 11.678 8.874 3.353
76 HG3 ARG 13 3HG ARG 13 10.161 9.668 2.924
77 HD2 ARG 13 2HD ARG 13 10.151 10.349 5.449
78 HD3 ARG 13 3HD ARG 13 11.881 10.029 5.337
79 HE ARG 13 HE ARG 13 11.414 11.655 3.226
80 HH11 ARG 13 1HH1 ARG 13 10.679 11.867 6.623
81 HH12 ARG 13 2HH1 ARG 13 10.764 13.597 6.666
82 HH21 ARG 13 1HH2 ARG 13 11.529 13.932 3.271
83 HH22 ARG 13 2HH2 ARG 13 11.246 14.771 4.759
84 H HIS 14 H HIS 14 9.423 4.746 3.736
85 HA HIS 14 HA HIS 14 7.932 4.267 6.052
86 HB2 HIS 14 2HB HIS 14 7.325 3.322 3.880
87 HB3 HIS 14 3HB HIS 14 8.772 2.318 3.895
88 HD1 HIS 14 HD1 HIS 14 5.296 2.471 5.124
89 HD2 HIS 14 HD2 HIS 14 8.691 0.168 5.783
90 HE1 HIS 14 HE1 HIS 14 4.493 0.421 6.339
91 H CYS 15 H CYS 15 11.020 2.903 4.979
92 HA CYS 15 HA CYS 15 11.265 1.370 7.441
93 HB2 CYS 15 2HB CYS 15 13.141 1.598 5.078
94 HB3 CYS 15 3HB CYS 15 13.325 0.483 6.428
95 H VAL 16 H VAL 16 12.586 4.226 5.913
96 HA VAL 16 HA VAL 16 14.865 4.680 7.395
97 HB VAL 16 HB VAL 16 12.861 6.743 6.470
98 HG11 VAL 16 1HG1 VAL 16 15.720 7.010 7.380
99 HG12 VAL 16 2HG1 VAL 16 14.846 8.267 6.502
100 HG13 VAL 16 3HG1 VAL 16 14.288 7.752 8.094
101 HG21 VAL 16 3HG2 VAL 16 13.558 6.306 4.407
102 HG22 VAL 16 1HG2 VAL 16 15.219 6.655 4.889
103 HG23 VAL 16 2HG2 VAL 16 14.587 5.014 5.024
104 H SER 17 H SER 17 11.529 5.000 8.353
105 HA SER 17 HA SER 17 12.080 6.500 10.739
106 HB2 SER 17 2HB SER 17 9.787 5.853 9.259
107 HB3 SER 17 3HB SER 17 9.568 5.062 10.820
108 HG SER 17 HG SER 17 8.796 7.121 11.036
109 H LYS 18 H LYS 18 11.544 3.113 9.926
110 HA LYS 18 HA LYS 18 11.425 2.144 12.582
111 HB2 LYS 18 2HB LYS 18 11.895 0.913 9.897
112 HB3 LYS 18 3HB LYS 18 12.214 -0.041 11.340
113 HG2 LYS 18 2HG LYS 18 10.061 -0.625 11.104
114 HG3 LYS 18 3HG LYS 18 9.766 0.904 11.934
115 HD2 LYS 18 2HD LYS 18 8.823 1.820 10.123
116 HD3 LYS 18 3HD LYS 18 10.097 1.222 9.058
117 HE2 LYS 18 2HE LYS 18 8.357 0.016 8.231
118 HE3 LYS 18 3HE LYS 18 8.859 -1.084 9.514
119 HZ1 LYS 18 3HZ LYS 18 6.544 -0.864 9.713
120 HZ2 LYS 18 1HZ LYS 18 6.590 0.818 9.532
121 HZ3 LYS 18 2HZ LYS 18 7.181 0.103 10.946
122 H GLY 19 H GLY 19 14.080 2.656 10.316
123 HA2 GLY 19 2HA GLY 19 16.108 3.296 11.878
124 HA3 GLY 19 3HA GLY 19 15.998 1.580 12.244
125 H TYR 20 H TYR 20 15.336 0.629 9.681
126 HA TYR 20 HA TYR 20 17.817 0.194 8.556
127 HB2 TYR 20 2HB TYR 20 15.215 0.194 7.020
128 HB3 TYR 20 3HB TYR 20 16.670 -0.724 6.647
129 HD1 TYR 20 HD1 TYR 20 17.382 -2.558 8.234
130 HD2 TYR 20 HD2 TYR 20 13.578 -0.668 8.479
131 HE1 TYR 20 HE1 TYR 20 16.536 -4.446 9.564
132 HE2 TYR 20 HE2 TYR 20 12.722 -2.550 9.811
133 HH TYR 20 HH TYR 20 14.818 -5.043 11.029
134 H THR 21 H THR 21 18.409 0.769 6.226
135 HA THR 21 HA THR 21 18.877 3.548 6.080
136 HB THR 21 HB THR 21 20.343 1.804 5.050
137 HG1 THR 21 HG1 THR 21 20.491 3.102 2.965
138 HG21 THR 21 3HG2 THR 21 18.113 0.798 3.932
139 HG22 THR 21 1HG2 THR 21 19.729 0.525 3.281
140 HG23 THR 21 2HG2 THR 21 18.701 1.782 2.592
141 H GLY 22 H GLY 22 16.366 1.503 4.789
142 HA2 GLY 22 2HA GLY 22 14.345 3.129 4.419
143 HA3 GLY 22 3HA GLY 22 15.363 3.672 3.093
144 H GLY 23 H GLY 23 12.699 2.415 3.052
145 HA2 GLY 23 2HA GLY 23 13.154 -0.236 1.959
146 HA3 GLY 23 3HA GLY 23 11.602 0.568 2.139
147 H ASN 24 H ASN 24 13.807 -0.520 -0.061
148 HA ASN 24 HA ASN 24 12.842 1.361 -2.115
149 HB2 ASN 24 2HB ASN 24 15.363 -0.209 -2.493
150 HB3 ASN 24 3HB ASN 24 14.900 1.344 -3.185
151 HD21 ASN 24 1HD2 ASN 24 14.212 2.791 -1.001
152 HD22 ASN 24 2HD2 ASN 24 15.583 3.006 0.028
153 H CYS 25 H CYS 25 12.356 0.503 -4.180
154 HA CYS 25 HA CYS 25 11.633 -2.343 -4.100
155 HB2 CYS 25 2HB CYS 25 10.620 -0.280 -6.055
156 HB3 CYS 25 3HB CYS 25 9.937 -1.865 -5.708
157 H ARG 26 H ARG 26 12.080 -3.708 -5.853
158 HA ARG 26 HA ARG 26 13.795 -2.701 -7.984
159 HB2 ARG 26 2HB ARG 26 14.634 -4.958 -6.154
160 HB3 ARG 26 3HB ARG 26 15.488 -4.446 -7.604
161 HG2 ARG 26 2HG ARG 26 15.009 -2.669 -5.224
162 HG3 ARG 26 3HG ARG 26 16.472 -3.624 -5.471
163 HD2 ARG 26 2HD ARG 26 15.988 -2.213 -7.867
164 HD3 ARG 26 3HD ARG 26 15.785 -1.065 -6.543
165 HE ARG 26 HE ARG 26 18.111 -2.397 -5.979
166 HH11 ARG 26 1HH1 ARG 26 16.902 -0.512 -8.645
167 HH12 ARG 26 2HH1 ARG 26 18.466 0.070 -9.112
168 HH21 ARG 26 1HH2 ARG 26 20.175 -1.638 -6.584
169 HH22 ARG 26 2HH2 ARG 26 20.327 -0.571 -7.940
170 H GLY 27 H GLY 27 14.465 -4.791 -9.372
171 HA2 GLY 27 2HA GLY 27 11.905 -6.000 -10.090
172 HA3 GLY 27 3HA GLY 27 13.364 -5.996 -11.069
173 H LYS 28 H LYS 28 13.161 -6.966 -7.690
174 HA LYS 28 HA LYS 28 14.599 -9.342 -8.076
175 HB2 LYS 28 2HB LYS 28 13.704 -9.938 -5.777
176 HB3 LYS 28 3HB LYS 28 14.583 -8.419 -5.896
177 HG2 LYS 28 2HG LYS 28 11.828 -7.902 -6.376
178 HG3 LYS 28 3HG LYS 28 11.975 -8.872 -4.908
179 HD2 LYS 28 2HD LYS 28 13.816 -6.559 -5.283
180 HD3 LYS 28 3HD LYS 28 12.139 -6.241 -4.833
181 HE2 LYS 28 2HE LYS 28 14.043 -8.049 -3.348
182 HE3 LYS 28 3HE LYS 28 13.610 -6.408 -2.873
183 HZ1 LYS 28 3HZ LYS 28 11.254 -7.214 -2.799
184 HZ2 LYS 28 1HZ LYS 28 12.271 -7.863 -1.613
185 HZ3 LYS 28 2HZ LYS 28 11.849 -8.789 -2.965
186 H ILE 29 H ILE 29 11.135 -8.698 -7.988
187 HA ILE 29 HA ILE 29 10.626 -11.197 -9.353
188 HB ILE 29 HB ILE 29 8.769 -11.753 -7.673
189 HG12 ILE 29 2HG1 ILE 29 10.533 -10.417 -5.656
190 HG13 ILE 29 3HG1 ILE 29 9.301 -9.468 -6.480
191 HG21 ILE 29 1HG2 ILE 29 11.106 -12.856 -8.060
192 HG22 ILE 29 2HG2 ILE 29 11.464 -12.182 -6.470
193 HG23 ILE 29 3HG2 ILE 29 10.126 -13.315 -6.667
194 HD11 ILE 29 3HD1 ILE 29 8.721 -12.011 -4.988
195 HD12 ILE 29 1HD1 ILE 29 8.620 -10.403 -4.272
196 HD13 ILE 29 2HD1 ILE 29 7.563 -10.838 -5.616
197 H ARG 30 H ARG 30 10.159 -9.318 -10.832
198 HA ARG 30 HA ARG 30 8.641 -8.131 -12.041
199 HB2 ARG 30 2HB ARG 30 6.507 -9.366 -10.300
200 HB3 ARG 30 3HB ARG 30 6.333 -8.740 -11.935
201 HG2 ARG 30 2HG ARG 30 8.132 -10.598 -12.461
202 HG3 ARG 30 3HG ARG 30 7.458 -11.319 -10.998
203 HD2 ARG 30 2HD ARG 30 5.472 -11.776 -11.978
204 HD3 ARG 30 3HD ARG 30 5.504 -10.315 -12.965
205 HE ARG 30 HE ARG 30 6.510 -11.507 -14.648
206 HH11 ARG 30 1HH1 ARG 30 6.609 -13.354 -11.698
207 HH12 ARG 30 2HH1 ARG 30 7.173 -14.799 -12.469
208 HH21 ARG 30 1HH2 ARG 30 7.252 -13.404 -15.674
209 HH22 ARG 30 2HH2 ARG 30 7.539 -14.827 -14.730
210 H GLN 31 H GLN 31 9.868 -6.668 -10.182
211 HA GLN 31 HA GLN 31 9.748 -4.688 -9.068
212 HB2 GLN 31 2HB GLN 31 7.694 -4.587 -10.926
213 HB3 GLN 31 3HB GLN 31 6.901 -4.167 -9.414
214 HG2 GLN 31 2HG GLN 31 7.834 -2.152 -9.365
215 HG3 GLN 31 3HG GLN 31 9.430 -2.789 -9.757
216 HE21 GLN 31 1HE2 GLN 31 10.230 -1.928 -11.521
217 HE22 GLN 31 2HE2 GLN 31 9.343 -1.466 -12.930
218 H THR 32 H THR 32 9.931 -4.855 -6.939
219 HA THR 32 HA THR 32 7.571 -5.173 -5.303
220 HB THR 32 HB THR 32 9.808 -7.201 -5.134
221 HG1 THR 32 HG1 THR 32 7.683 -8.521 -5.351
222 HG21 THR 32 3HG2 THR 32 7.464 -6.640 -3.329
223 HG22 THR 32 1HG2 THR 32 9.173 -6.729 -2.903
224 HG23 THR 32 2HG2 THR 32 8.297 -8.194 -3.348
225 H CYS 33 H CYS 33 7.818 -4.356 -3.238
226 HA CYS 33 HA CYS 33 10.126 -2.657 -2.853
227 HB2 CYS 33 2HB CYS 33 7.440 -2.502 -2.139
228 HB3 CYS 33 3HB CYS 33 8.274 -2.775 -0.613
229 H HIS 34 H HIS 34 11.512 -2.702 -1.051
230 HA HIS 34 HA HIS 34 11.382 -4.841 0.864
231 HB2 HIS 34 2HB HIS 34 12.465 -5.691 -1.401
232 HB3 HIS 34 3HB HIS 34 13.891 -4.885 -0.754
233 HD1 HIS 34 HD1 HIS 34 15.192 -7.030 -0.311
234 HD2 HIS 34 HD2 HIS 34 11.501 -6.917 1.592
235 HE1 HIS 34 HE1 HIS 34 15.204 -8.965 1.295
236 H CYS 35 H CYS 35 12.745 -4.524 2.625
237 HA CYS 35 HA CYS 35 14.007 -1.875 2.710
238 HB2 CYS 35 2HB CYS 35 12.945 -3.694 4.869
239 HB3 CYS 35 3HB CYS 35 13.939 -2.285 5.227
240 H TYR 36 H TYR 36 16.143 -1.649 2.929
241 HA TYR 36 HA TYR 36 17.813 -3.548 4.232
242 HB2 TYR 36 2HB TYR 36 19.038 -4.433 2.395
243 HB3 TYR 36 3HB TYR 36 17.337 -4.670 2.010
244 HD1 TYR 36 HD2 TYR 36 16.300 -2.512 0.714
245 HD2 TYR 36 HD1 TYR 36 20.372 -3.747 0.653
246 HE1 TYR 36 HE2 TYR 36 16.618 -1.341 -1.425
247 HE2 TYR 36 HE1 TYR 36 20.701 -2.578 -1.486
248 HH TYR 36 HH TYR 36 18.334 -0.430 -2.788
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -0.866 -1.186 -3.438
2 HA2 GLY 1 2HA GLY 1 1.439 -0.333 -1.817
3 HA3 GLY 1 3HA GLY 1 1.414 -0.438 -3.571
4 H PHE 2 H PHE 2 2.392 1.782 -3.120
5 HA PHE 2 HA PHE 2 0.591 3.756 -3.932
6 HB2 PHE 2 2HB PHE 2 0.782 5.187 -1.787
7 HB3 PHE 2 3HB PHE 2 -0.403 3.885 -1.817
8 HD1 PHE 2 HD2 PHE 2 3.219 4.278 -0.990
9 HD2 PHE 2 HD1 PHE 2 -0.564 2.663 0.106
10 HE1 PHE 2 HE2 PHE 2 4.218 3.327 1.047
11 HE2 PHE 2 HE1 PHE 2 0.429 1.711 2.146
12 HZ PHE 2 HZ PHE 2 2.824 2.041 2.618
13 H GLY 3 H GLY 3 3.228 2.767 -4.510
14 HA2 GLY 3 2HA GLY 3 4.633 4.805 -5.427
15 HA3 GLY 3 3HA GLY 3 5.017 4.939 -3.717
16 H CYS 4 H CYS 4 6.610 4.239 -6.204
17 HA CYS 4 HA CYS 4 8.436 2.495 -5.032
18 HB2 CYS 4 2HB CYS 4 6.191 1.153 -6.248
19 HB3 CYS 4 3HB CYS 4 7.675 0.746 -7.104
20 HA PRO 5 HA PRO 5 9.531 2.942 -9.711
21 HB2 PRO 5 2HB PRO 5 7.654 4.035 -11.340
22 HB3 PRO 5 3HB PRO 5 7.759 2.299 -11.025
23 HG2 PRO 5 2HG PRO 5 5.942 4.339 -9.802
24 HG3 PRO 5 3HG PRO 5 5.567 2.699 -10.362
25 HD2 PRO 5 2HD PRO 5 5.950 3.294 -7.748
26 HD3 PRO 5 3HD PRO 5 6.389 1.721 -8.443
27 H TRP 6 H TRP 6 7.211 5.477 -8.756
28 HA TRP 6 HA TRP 6 9.326 7.468 -9.262
29 HB2 TRP 6 2HB TRP 6 7.073 8.959 -9.423
30 HB3 TRP 6 3HB TRP 6 7.853 8.215 -10.817
31 HD1 TRP 6 HD1 TRP 6 6.548 6.325 -12.075
32 HE1 TRP 6 HE1 TRP 6 4.175 5.352 -11.853
33 HE3 TRP 6 HE3 TRP 6 5.234 8.408 -7.596
34 HZ2 TRP 6 HZ2 TRP 6 2.030 5.455 -10.021
35 HZ3 TRP 6 HZ3 TRP 6 3.003 7.921 -6.678
36 HH2 TRP 6 HH2 TRP 6 1.436 6.476 -7.868
37 H ASN 7 H ASN 7 6.711 6.413 -7.182
38 HA ASN 7 HA ASN 7 7.210 8.573 -5.291
39 HB2 ASN 7 2HB ASN 7 5.025 6.710 -5.825
40 HB3 ASN 7 3HB ASN 7 5.390 6.850 -4.108
41 HD21 ASN 7 1HD2 ASN 7 3.260 7.792 -3.972
42 HD22 ASN 7 2HD2 ASN 7 3.049 9.470 -4.323
43 H ALA 8 H ALA 8 9.201 6.442 -5.858
44 HA ALA 8 HA ALA 8 9.410 4.498 -3.923
45 HB1 ALA 8 1HB ALA 8 11.772 6.109 -4.853
46 HB2 ALA 8 2HB ALA 8 11.722 4.410 -4.383
47 HB3 ALA 8 3HB ALA 8 10.955 4.933 -5.882
48 H TYR 9 H TYR 9 9.961 7.940 -3.626
49 HA TYR 9 HA TYR 9 11.425 8.077 -1.288
50 HB2 TYR 9 2HB TYR 9 9.832 9.863 -2.858
51 HB3 TYR 9 3HB TYR 9 9.464 10.124 -1.157
52 HD1 TYR 9 HD2 TYR 9 12.649 9.257 -2.908
53 HD2 TYR 9 HD1 TYR 9 10.555 12.041 -0.466
54 HE1 TYR 9 HE2 TYR 9 14.705 10.586 -2.671
55 HE2 TYR 9 HE1 TYR 9 12.605 13.379 -0.224
56 HH TYR 9 HH TYR 9 15.097 13.283 -2.117
57 H GLU 10 H GLU 10 8.077 7.247 -1.749
58 HA GLU 10 HA GLU 10 7.294 7.571 0.980
59 HB2 GLU 10 2HB GLU 10 5.579 7.677 -0.678
60 HB3 GLU 10 3HB GLU 10 6.045 6.122 -1.352
61 HG2 GLU 10 2HG GLU 10 4.013 5.899 -0.079
62 HG3 GLU 10 3HG GLU 10 5.320 5.019 0.712
63 H CYS 11 H CYS 11 8.212 4.793 -1.027
64 HA CYS 11 HA CYS 11 7.897 2.872 1.047
65 HB2 CYS 11 2HB CYS 11 8.124 2.658 -1.615
66 HB3 CYS 11 3HB CYS 11 9.799 2.342 -1.175
67 H ASP 12 H ASP 12 10.481 4.976 0.053
68 HA ASP 12 HA ASP 12 12.576 3.608 1.421
69 HB2 ASP 12 2HB ASP 12 13.219 5.063 -0.350
70 HB3 ASP 12 3HB ASP 12 12.316 6.411 0.335
71 H ARG 13 H ARG 13 10.855 6.648 2.155
72 HA ARG 13 HA ARG 13 11.957 7.040 4.691
73 HB2 ARG 13 2HB ARG 13 10.313 8.691 5.018
74 HB3 ARG 13 3HB ARG 13 10.577 8.663 3.280
75 HG2 ARG 13 2HG ARG 13 8.321 8.662 3.261
76 HG3 ARG 13 3HG ARG 13 8.563 6.921 3.418
77 HD2 ARG 13 2HD ARG 13 7.198 7.105 5.188
78 HD3 ARG 13 3HD ARG 13 8.630 7.711 6.018
79 HE ARG 13 HE ARG 13 7.702 9.812 6.033
80 HH11 ARG 13 1HH1 ARG 13 5.898 7.755 3.880
81 HH12 ARG 13 2HH1 ARG 13 4.612 8.894 3.659
82 HH21 ARG 13 1HH2 ARG 13 6.015 11.320 5.750
83 HH22 ARG 13 2HH2 ARG 13 4.680 10.922 4.722
84 H HIS 14 H HIS 14 9.560 4.825 3.613
85 HA HIS 14 HA HIS 14 8.085 4.410 5.948
86 HB2 HIS 14 2HB HIS 14 7.414 3.458 3.806
87 HB3 HIS 14 3HB HIS 14 8.843 2.429 3.791
88 HD1 HIS 14 HD1 HIS 14 5.430 2.710 5.227
89 HD2 HIS 14 HD2 HIS 14 8.737 0.217 5.553
90 HE1 HIS 14 HE1 HIS 14 4.610 0.659 6.430
91 H CYS 15 H CYS 15 11.127 2.957 4.864
92 HA CYS 15 HA CYS 15 11.349 1.430 7.333
93 HB2 CYS 15 2HB CYS 15 13.218 1.602 4.958
94 HB3 CYS 15 3HB CYS 15 13.382 0.489 6.312
95 H VAL 16 H VAL 16 12.688 4.271 5.808
96 HA VAL 16 HA VAL 16 14.997 4.663 7.289
97 HB VAL 16 HB VAL 16 13.067 6.774 6.315
98 HG11 VAL 16 1HG1 VAL 16 15.790 6.906 7.514
99 HG12 VAL 16 2HG1 VAL 16 15.364 8.052 6.242
100 HG13 VAL 16 3HG1 VAL 16 14.410 7.984 7.725
101 HG21 VAL 16 3HG2 VAL 16 13.748 6.269 4.263
102 HG22 VAL 16 1HG2 VAL 16 15.417 6.584 4.738
103 HG23 VAL 16 2HG2 VAL 16 14.744 4.963 4.906
104 H SER 17 H SER 17 11.677 5.002 8.236
105 HA SER 17 HA SER 17 12.245 6.555 10.597
106 HB2 SER 17 2HB SER 17 10.094 7.006 9.912
107 HB3 SER 17 3HB SER 17 9.812 5.358 9.353
108 HG SER 17 HG SER 17 9.006 6.397 11.598
109 H LYS 18 H LYS 18 11.720 3.179 9.792
110 HA LYS 18 HA LYS 18 11.515 2.242 12.470
111 HB2 LYS 18 2HB LYS 18 11.957 0.969 9.800
112 HB3 LYS 18 3HB LYS 18 12.246 0.022 11.253
113 HG2 LYS 18 2HG LYS 18 10.079 -0.503 11.036
114 HG3 LYS 18 3HG LYS 18 9.820 1.055 11.823
115 HD2 LYS 18 2HD LYS 18 8.897 1.935 9.987
116 HD3 LYS 18 3HD LYS 18 10.177 1.306 8.948
117 HE2 LYS 18 2HE LYS 18 8.397 0.133 8.126
118 HE3 LYS 18 3HE LYS 18 8.931 -0.978 9.386
119 HZ1 LYS 18 3HZ LYS 18 7.269 0.051 10.870
120 HZ2 LYS 18 1HZ LYS 18 6.574 -0.711 9.529
121 HZ3 LYS 18 2HZ LYS 18 6.704 0.975 9.571
122 H GLY 19 H GLY 19 14.191 2.680 10.218
123 HA2 GLY 19 2HA GLY 19 16.235 3.277 11.754
124 HA3 GLY 19 3HA GLY 19 16.068 1.580 12.179
125 H TYR 20 H TYR 20 15.357 0.599 9.619
126 HA TYR 20 HA TYR 20 17.821 0.006 8.529
127 HB2 TYR 20 2HB TYR 20 15.237 0.118 6.966
128 HB3 TYR 20 3HB TYR 20 16.642 -0.885 6.626
129 HD1 TYR 20 HD2 TYR 20 17.321 -2.537 8.561
130 HD2 TYR 20 HD1 TYR 20 13.459 -0.808 8.121
131 HE1 TYR 20 HE2 TYR 20 16.361 -4.349 9.920
132 HE2 TYR 20 HE1 TYR 20 12.488 -2.614 9.479
133 HH TYR 20 HH TYR 20 14.531 -5.068 11.001
134 H THR 21 H THR 21 18.481 0.505 6.206
135 HA THR 21 HA THR 21 19.090 3.252 6.008
136 HB THR 21 HB THR 21 20.482 1.414 5.039
137 HG1 THR 21 HG1 THR 21 19.770 3.228 2.985
138 HG21 THR 21 3HG2 THR 21 18.687 0.095 4.030
139 HG22 THR 21 1HG2 THR 21 19.889 0.548 2.822
140 HG23 THR 21 2HG2 THR 21 18.349 1.405 2.899
141 H GLY 22 H GLY 22 16.510 1.302 4.698
142 HA2 GLY 22 2HA GLY 22 14.575 3.022 4.268
143 HA3 GLY 22 3HA GLY 22 15.641 3.485 2.949
144 H GLY 23 H GLY 23 12.909 2.334 2.931
145 HA2 GLY 23 2HA GLY 23 13.310 -0.327 1.812
146 HA3 GLY 23 3HA GLY 23 11.766 0.467 2.086
147 H ASN 24 H ASN 24 13.869 -0.564 -0.242
148 HA ASN 24 HA ASN 24 12.818 1.368 -2.205
149 HB2 ASN 24 2HB ASN 24 15.264 -0.254 -2.778
150 HB3 ASN 24 3HB ASN 24 14.815 1.342 -3.372
151 HD21 ASN 24 1HD2 ASN 24 14.326 2.737 -1.123
152 HD22 ASN 24 2HD2 ASN 24 15.754 2.851 -0.157
153 H CYS 25 H CYS 25 12.343 0.536 -4.330
154 HA CYS 25 HA CYS 25 11.465 -2.268 -4.233
155 HB2 CYS 25 2HB CYS 25 10.504 -0.135 -6.143
156 HB3 CYS 25 3HB CYS 25 9.768 -1.702 -5.824
157 H ARG 26 H ARG 26 11.993 -3.697 -5.843
158 HA ARG 26 HA ARG 26 13.576 -2.758 -8.107
159 HB2 ARG 26 2HB ARG 26 14.547 -4.920 -6.229
160 HB3 ARG 26 3HB ARG 26 15.341 -4.406 -7.711
161 HG2 ARG 26 2HG ARG 26 14.849 -2.574 -5.379
162 HG3 ARG 26 3HG ARG 26 16.328 -3.512 -5.592
163 HD2 ARG 26 2HD ARG 26 15.891 -2.246 -8.044
164 HD3 ARG 26 3HD ARG 26 15.533 -1.028 -6.821
165 HE ARG 26 HE ARG 26 17.976 -2.401 -6.287
166 HH11 ARG 26 1HH1 ARG 26 16.538 0.131 -8.195
167 HH12 ARG 26 2HH1 ARG 26 18.021 1.006 -8.387
168 HH21 ARG 26 1HH2 ARG 26 19.934 -1.258 -6.533
169 HH22 ARG 26 2HH2 ARG 26 19.952 0.215 -7.443
170 H GLY 27 H GLY 27 14.325 -5.053 -9.264
171 HA2 GLY 27 2HA GLY 27 11.750 -6.256 -9.947
172 HA3 GLY 27 3HA GLY 27 13.235 -6.382 -10.878
173 H LYS 28 H LYS 28 13.038 -6.989 -7.431
174 HA LYS 28 HA LYS 28 14.383 -9.427 -7.543
175 HB2 LYS 28 2HB LYS 28 13.410 -9.779 -5.223
176 HB3 LYS 28 3HB LYS 28 14.333 -8.301 -5.464
177 HG2 LYS 28 2HG LYS 28 11.602 -7.774 -6.069
178 HG3 LYS 28 3HG LYS 28 11.694 -8.587 -4.505
179 HD2 LYS 28 2HD LYS 28 13.262 -6.135 -5.305
180 HD3 LYS 28 3HD LYS 28 11.826 -6.146 -4.278
181 HE2 LYS 28 2HE LYS 28 14.514 -7.378 -3.699
182 HE3 LYS 28 3HE LYS 28 13.747 -6.030 -2.861
183 HZ1 LYS 28 3HZ LYS 28 12.782 -8.839 -2.883
184 HZ2 LYS 28 1HZ LYS 28 12.016 -7.548 -2.102
185 HZ3 LYS 28 2HZ LYS 28 13.544 -8.060 -1.589
186 H ILE 29 H ILE 29 10.933 -8.716 -7.615
187 HA ILE 29 HA ILE 29 10.410 -11.331 -8.738
188 HB ILE 29 HB ILE 29 8.496 -11.687 -7.075
189 HG12 ILE 29 2HG1 ILE 29 10.063 -10.374 -4.970
190 HG13 ILE 29 3HG1 ILE 29 9.320 -9.249 -6.102
191 HG21 ILE 29 1HG2 ILE 29 11.102 -12.013 -5.680
192 HG22 ILE 29 2HG2 ILE 29 9.787 -13.166 -5.905
193 HG23 ILE 29 3HG2 ILE 29 10.879 -12.803 -7.241
194 HD11 ILE 29 3HD1 ILE 29 7.701 -11.434 -4.871
195 HD12 ILE 29 1HD1 ILE 29 8.036 -9.951 -3.979
196 HD13 ILE 29 2HD1 ILE 29 7.178 -9.880 -5.519
197 H ARG 30 H ARG 30 10.069 -9.506 -10.373
198 HA ARG 30 HA ARG 30 8.625 -8.402 -11.741
199 HB2 ARG 30 2HB ARG 30 6.389 -9.535 -10.062
200 HB3 ARG 30 3HB ARG 30 6.319 -9.019 -11.742
201 HG2 ARG 30 2HG ARG 30 8.291 -10.976 -11.691
202 HG3 ARG 30 3HG ARG 30 7.019 -11.584 -10.630
203 HD2 ARG 30 2HD ARG 30 5.372 -11.215 -12.405
204 HD3 ARG 30 3HD ARG 30 6.649 -10.614 -13.462
205 HE ARG 30 HE ARG 30 6.011 -13.338 -12.929
206 HH11 ARG 30 1HH1 ARG 30 8.642 -11.175 -13.651
207 HH12 ARG 30 2HH1 ARG 30 9.624 -12.402 -14.379
208 HH21 ARG 30 1HH2 ARG 30 7.295 -14.963 -13.886
209 HH22 ARG 30 2HH2 ARG 30 8.856 -14.557 -14.514
210 H GLN 31 H GLN 31 9.727 -6.760 -10.031
211 HA GLN 31 HA GLN 31 9.534 -4.714 -9.056
212 HB2 GLN 31 2HB GLN 31 7.323 -4.916 -10.844
213 HB3 GLN 31 3HB GLN 31 6.772 -4.106 -9.384
214 HG2 GLN 31 2HG GLN 31 7.586 -2.241 -10.260
215 HG3 GLN 31 3HG GLN 31 9.188 -2.893 -9.919
216 HE21 GLN 31 1HE2 GLN 31 10.241 -4.105 -11.614
217 HE22 GLN 31 2HE2 GLN 31 9.912 -3.721 -13.266
218 H THR 32 H THR 32 9.747 -4.895 -6.917
219 HA THR 32 HA THR 32 7.374 -5.003 -5.275
220 HB THR 32 HB THR 32 9.493 -7.128 -4.900
221 HG1 THR 32 HG1 THR 32 6.815 -7.316 -5.866
222 HG21 THR 32 3HG2 THR 32 6.903 -6.559 -3.457
223 HG22 THR 32 1HG2 THR 32 8.533 -6.461 -2.792
224 HG23 THR 32 2HG2 THR 32 7.859 -8.026 -3.247
225 H CYS 33 H CYS 33 7.711 -4.252 -3.163
226 HA CYS 33 HA CYS 33 10.081 -2.615 -2.865
227 HB2 CYS 33 2HB CYS 33 7.394 -2.466 -1.989
228 HB3 CYS 33 3HB CYS 33 8.394 -2.570 -0.543
229 H HIS 34 H HIS 34 11.450 -2.652 -1.013
230 HA HIS 34 HA HIS 34 11.320 -4.836 0.850
231 HB2 HIS 34 2HB HIS 34 12.363 -5.739 -1.344
232 HB3 HIS 34 3HB HIS 34 13.774 -4.790 -0.886
233 HD1 HIS 34 HD1 HIS 34 15.395 -6.547 -0.181
234 HD2 HIS 34 HD2 HIS 34 11.650 -7.080 1.537
235 HE1 HIS 34 HE1 HIS 34 15.672 -8.427 1.466
236 H CYS 35 H CYS 35 12.790 -4.619 2.583
237 HA CYS 35 HA CYS 35 13.994 -1.942 2.755
238 HB2 CYS 35 2HB CYS 35 12.893 -3.814 4.842
239 HB3 CYS 35 3HB CYS 35 13.945 -2.469 5.273
240 H TYR 36 H TYR 36 16.132 -1.740 2.875
241 HA TYR 36 HA TYR 36 17.750 -4.162 3.098
242 HB2 TYR 36 2HB TYR 36 18.566 -1.350 2.337
243 HB3 TYR 36 3HB TYR 36 19.588 -2.780 2.253
244 HD1 TYR 36 HD2 TYR 36 16.514 -1.244 0.853
245 HD2 TYR 36 HD1 TYR 36 19.567 -4.164 0.351
246 HE1 TYR 36 HE2 TYR 36 15.730 -1.661 -1.441
247 HE2 TYR 36 HE1 TYR 36 18.792 -4.588 -1.945
248 HH TYR 36 HH TYR 36 16.880 -2.586 -3.638
Start of MODEL 17
1 H1 GLY 1 H GLY 1 0.844 -1.015 0.305
2 HA2 GLY 1 2HA GLY 1 2.685 -0.159 -0.797
3 HA3 GLY 1 3HA GLY 1 2.245 -1.368 -1.994
4 H PHE 2 H PHE 2 1.991 2.005 -1.087
5 HA PHE 2 HA PHE 2 0.976 2.624 -3.778
6 HB2 PHE 2 2HB PHE 2 1.008 4.498 -1.413
7 HB3 PHE 2 3HB PHE 2 0.098 4.664 -2.911
8 HD1 PHE 2 HD2 PHE 2 0.322 2.865 0.283
9 HD2 PHE 2 HD1 PHE 2 -1.984 3.549 -3.228
10 HE1 PHE 2 HE2 PHE 2 -1.603 1.751 1.335
11 HE2 PHE 2 HE1 PHE 2 -3.914 2.437 -2.181
12 HZ PHE 2 HZ PHE 2 -3.724 1.535 0.103
13 H GLY 3 H GLY 3 3.192 2.287 -4.565
14 HA2 GLY 3 2HA GLY 3 4.587 4.209 -5.552
15 HA3 GLY 3 3HA GLY 3 5.021 4.490 -3.873
16 H CYS 4 H CYS 4 6.583 3.664 -6.320
17 HA CYS 4 HA CYS 4 8.467 2.037 -5.069
18 HB2 CYS 4 2HB CYS 4 6.246 0.577 -6.191
19 HB3 CYS 4 3HB CYS 4 7.735 0.158 -7.032
20 HA PRO 5 HA PRO 5 9.511 2.250 -9.776
21 HB2 PRO 5 2HB PRO 5 7.590 3.193 -11.447
22 HB3 PRO 5 3HB PRO 5 7.748 1.482 -11.033
23 HG2 PRO 5 2HG PRO 5 5.882 3.537 -9.912
24 HG3 PRO 5 3HG PRO 5 5.550 1.857 -10.373
25 HD2 PRO 5 2HD PRO 5 5.937 2.612 -7.802
26 HD3 PRO 5 3HD PRO 5 6.415 1.015 -8.410
27 H TRP 6 H TRP 6 7.131 4.767 -8.933
28 HA TRP 6 HA TRP 6 9.182 6.785 -9.574
29 HB2 TRP 6 2HB TRP 6 6.884 8.198 -9.802
30 HB3 TRP 6 3HB TRP 6 7.683 7.406 -11.157
31 HD1 TRP 6 HD1 TRP 6 6.436 5.406 -12.303
32 HE1 TRP 6 HE1 TRP 6 4.096 4.374 -12.019
33 HE3 TRP 6 HE3 TRP 6 5.065 7.694 -7.942
34 HZ2 TRP 6 HZ2 TRP 6 1.952 4.512 -10.188
35 HZ3 TRP 6 HZ3 TRP 6 2.853 7.190 -6.991
36 HH2 TRP 6 HH2 TRP 6 1.329 5.633 -8.092
37 H ASN 7 H ASN 7 6.598 5.788 -7.424
38 HA ASN 7 HA ASN 7 7.060 8.061 -5.659
39 HB2 ASN 7 2HB ASN 7 4.916 6.110 -6.065
40 HB3 ASN 7 3HB ASN 7 5.275 6.400 -4.365
41 HD21 ASN 7 1HD2 ASN 7 3.184 7.339 -4.203
42 HD22 ASN 7 2HD2 ASN 7 2.908 8.960 -4.731
43 H ALA 8 H ALA 8 9.139 6.038 -6.082
44 HA ALA 8 HA ALA 8 9.403 4.154 -4.096
45 HB1 ALA 8 1HB ALA 8 11.876 4.542 -4.310
46 HB2 ALA 8 2HB ALA 8 11.025 4.252 -5.828
47 HB3 ALA 8 3HB ALA 8 11.497 5.891 -5.382
48 H TYR 9 H TYR 9 9.718 7.624 -3.861
49 HA TYR 9 HA TYR 9 11.127 7.923 -1.509
50 HB2 TYR 9 2HB TYR 9 9.792 9.615 -3.182
51 HB3 TYR 9 3HB TYR 9 8.781 9.689 -1.742
52 HD1 TYR 9 HD1 TYR 9 9.677 10.570 0.362
53 HD2 TYR 9 HD2 TYR 9 12.021 10.531 -3.189
54 HE1 TYR 9 HE1 TYR 9 11.249 12.158 1.390
55 HE2 TYR 9 HE2 TYR 9 13.600 12.118 -2.170
56 HH TYR 9 HH TYR 9 13.923 12.671 0.911
57 H GLU 10 H GLU 10 7.855 6.825 -1.987
58 HA GLU 10 HA GLU 10 6.976 7.149 0.697
59 HB2 GLU 10 2HB GLU 10 5.319 6.955 -1.012
60 HB3 GLU 10 3HB GLU 10 5.990 5.432 -1.579
61 HG2 GLU 10 2HG GLU 10 4.988 5.626 1.219
62 HG3 GLU 10 3HG GLU 10 3.836 5.480 -0.107
63 H CYS 11 H CYS 11 7.963 4.246 -1.126
64 HA CYS 11 HA CYS 11 7.915 2.484 1.054
65 HB2 CYS 11 2HB CYS 11 8.238 2.148 -1.589
66 HB3 CYS 11 3HB CYS 11 9.920 2.013 -1.088
67 H ASP 12 H ASP 12 10.252 4.833 0.053
68 HA ASP 12 HA ASP 12 12.470 3.753 1.492
69 HB2 ASP 12 2HB ASP 12 13.069 5.200 -0.256
70 HB3 ASP 12 3HB ASP 12 11.886 6.415 0.222
71 H ARG 13 H ARG 13 10.581 6.726 2.079
72 HA ARG 13 HA ARG 13 11.522 7.205 4.651
73 HB2 ARG 13 2HB ARG 13 8.986 7.962 3.230
74 HB3 ARG 13 3HB ARG 13 9.242 8.413 4.911
75 HG2 ARG 13 2HG ARG 13 11.490 9.060 3.162
76 HG3 ARG 13 3HG ARG 13 9.989 9.889 2.745
77 HD2 ARG 13 2HD ARG 13 11.475 11.100 4.371
78 HD3 ARG 13 3HD ARG 13 9.815 10.846 4.908
79 HE ARG 13 HE ARG 13 11.656 8.807 5.770
80 HH11 ARG 13 1HH1 ARG 13 10.254 11.910 6.495
81 HH12 ARG 13 2HH1 ARG 13 10.549 11.792 8.198
82 HH21 ARG 13 1HH2 ARG 13 12.050 8.639 8.011
83 HH22 ARG 13 2HH2 ARG 13 11.571 9.931 9.059
84 H HIS 14 H HIS 14 9.185 4.920 3.521
85 HA HIS 14 HA HIS 14 7.736 4.478 5.884
86 HB2 HIS 14 2HB HIS 14 6.976 3.594 3.753
87 HB3 HIS 14 3HB HIS 14 8.406 2.572 3.632
88 HD1 HIS 14 HD1 HIS 14 5.275 2.954 5.726
89 HD2 HIS 14 HD2 HIS 14 8.163 0.114 4.802
90 HE1 HIS 14 HE1 HIS 14 4.458 0.807 6.750
91 H CYS 15 H CYS 15 10.769 3.105 4.706
92 HA CYS 15 HA CYS 15 11.023 1.439 7.081
93 HB2 CYS 15 2HB CYS 15 11.915 1.210 4.440
94 HB3 CYS 15 3HB CYS 15 13.371 1.517 5.382
95 H VAL 16 H VAL 16 12.244 4.418 5.765
96 HA VAL 16 HA VAL 16 14.571 4.744 7.267
97 HB VAL 16 HB VAL 16 12.627 6.871 6.356
98 HG11 VAL 16 1HG1 VAL 16 14.628 8.362 6.490
99 HG12 VAL 16 2HG1 VAL 16 14.032 7.799 8.053
100 HG13 VAL 16 3HG1 VAL 16 15.469 7.065 7.339
101 HG21 VAL 16 3HG2 VAL 16 14.979 6.848 4.807
102 HG22 VAL 16 1HG2 VAL 16 14.436 5.174 4.929
103 HG23 VAL 16 2HG2 VAL 16 13.346 6.411 4.304
104 H SER 17 H SER 17 11.262 4.877 8.221
105 HA SER 17 HA SER 17 11.772 6.362 10.652
106 HB2 SER 17 2HB SER 17 9.560 6.179 9.164
107 HB3 SER 17 3HB SER 17 9.233 4.850 10.276
108 HG SER 17 HG SER 17 9.759 6.471 11.970
109 H LYS 18 H LYS 18 11.207 3.025 9.681
110 HA LYS 18 HA LYS 18 10.945 1.907 12.246
111 HB2 LYS 18 2HB LYS 18 11.635 0.862 9.539
112 HB3 LYS 18 3HB LYS 18 11.946 -0.170 10.929
113 HG2 LYS 18 2HG LYS 18 9.839 -0.849 10.488
114 HG3 LYS 18 3HG LYS 18 9.442 0.541 11.502
115 HD2 LYS 18 2HD LYS 18 8.578 1.706 9.778
116 HD3 LYS 18 3HD LYS 18 9.821 1.154 8.653
117 HE2 LYS 18 2HE LYS 18 8.057 0.049 7.753
118 HE3 LYS 18 3HE LYS 18 8.503 -1.143 8.973
119 HZ1 LYS 18 3HZ LYS 18 6.865 0.303 10.412
120 HZ2 LYS 18 1HZ LYS 18 6.299 -0.939 9.411
121 HZ3 LYS 18 2HZ LYS 18 6.210 0.669 8.896
122 H GLY 19 H GLY 19 13.782 2.526 10.225
123 HA2 GLY 19 2HA GLY 19 15.662 3.174 11.953
124 HA3 GLY 19 3HA GLY 19 15.537 1.457 12.307
125 H TYR 20 H TYR 20 14.984 0.728 9.533
126 HA TYR 20 HA TYR 20 17.615 0.263 8.670
127 HB2 TYR 20 2HB TYR 20 15.116 0.176 6.970
128 HB3 TYR 20 3HB TYR 20 16.629 -0.670 6.669
129 HD1 TYR 20 HD2 TYR 20 17.282 -2.583 8.097
130 HD2 TYR 20 HD1 TYR 20 13.495 -0.686 8.504
131 HE1 TYR 20 HE2 TYR 20 16.451 -4.525 9.357
132 HE2 TYR 20 HE1 TYR 20 12.654 -2.622 9.765
133 HH TYR 20 HH TYR 20 13.260 -4.519 10.849
134 H THR 21 H THR 21 18.475 0.902 6.503
135 HA THR 21 HA THR 21 18.843 3.667 6.353
136 HB THR 21 HB THR 21 20.399 1.959 5.400
137 HG1 THR 21 HG1 THR 21 20.595 4.148 4.780
138 HG21 THR 21 3HG2 THR 21 19.964 1.140 3.121
139 HG22 THR 21 1HG2 THR 21 18.357 1.863 3.176
140 HG23 THR 21 2HG2 THR 21 18.768 0.543 4.271
141 H GLY 22 H GLY 22 16.464 1.591 4.866
142 HA2 GLY 22 2HA GLY 22 14.460 3.252 4.392
143 HA3 GLY 22 3HA GLY 22 15.548 3.725 3.095
144 H GLY 23 H GLY 23 12.872 2.529 2.954
145 HA2 GLY 23 2HA GLY 23 13.378 -0.159 1.932
146 HA3 GLY 23 3HA GLY 23 11.805 0.602 2.127
147 H ASN 24 H ASN 24 13.933 -0.491 -0.106
148 HA ASN 24 HA ASN 24 12.920 1.372 -2.153
149 HB2 ASN 24 2HB ASN 24 15.461 -0.119 -2.621
150 HB3 ASN 24 3HB ASN 24 14.962 1.463 -3.212
151 HD21 ASN 24 1HD2 ASN 24 14.377 2.862 -1.030
152 HD22 ASN 24 2HD2 ASN 24 15.749 3.004 0.011
153 H CYS 25 H CYS 25 12.364 0.493 -4.172
154 HA CYS 25 HA CYS 25 11.749 -2.374 -4.072
155 HB2 CYS 25 2HB CYS 25 10.646 -0.342 -6.014
156 HB3 CYS 25 3HB CYS 25 10.021 -1.952 -5.671
157 H ARG 26 H ARG 26 12.137 -3.717 -5.885
158 HA ARG 26 HA ARG 26 13.754 -2.704 -8.065
159 HB2 ARG 26 2HB ARG 26 14.825 -4.634 -6.012
160 HB3 ARG 26 3HB ARG 26 15.499 -4.514 -7.632
161 HG2 ARG 26 2HG ARG 26 15.348 -2.276 -5.622
162 HG3 ARG 26 3HG ARG 26 16.787 -3.217 -6.022
163 HD2 ARG 26 2HD ARG 26 16.548 -2.438 -8.381
164 HD3 ARG 26 3HD ARG 26 15.241 -1.382 -7.846
165 HE ARG 26 HE ARG 26 16.796 0.033 -6.920
166 HH11 ARG 26 1HH1 ARG 26 18.316 -2.983 -7.765
167 HH12 ARG 26 2HH1 ARG 26 19.924 -2.401 -7.485
168 HH21 ARG 26 1HH2 ARG 26 18.908 0.811 -6.549
169 HH22 ARG 26 2HH2 ARG 26 20.259 -0.243 -6.793
170 H GLY 27 H GLY 27 14.408 -4.639 -9.531
171 HA2 GLY 27 2HA GLY 27 11.964 -6.162 -9.975
172 HA3 GLY 27 3HA GLY 27 13.314 -6.008 -11.090
173 H LYS 28 H LYS 28 13.124 -7.113 -7.712
174 HA LYS 28 HA LYS 28 14.871 -9.326 -8.287
175 HB2 LYS 28 2HB LYS 28 14.462 -9.890 -5.867
176 HB3 LYS 28 3HB LYS 28 15.136 -8.292 -6.156
177 HG2 LYS 28 2HG LYS 28 12.210 -8.373 -6.060
178 HG3 LYS 28 3HG LYS 28 13.011 -8.821 -4.553
179 HD2 LYS 28 2HD LYS 28 13.837 -6.365 -6.060
180 HD3 LYS 28 3HD LYS 28 12.445 -6.334 -4.975
181 HE2 LYS 28 2HE LYS 28 14.046 -5.750 -3.476
182 HE3 LYS 28 3HE LYS 28 14.204 -7.502 -3.349
183 HZ1 LYS 28 3HZ LYS 28 16.245 -5.862 -3.835
184 HZ2 LYS 28 1HZ LYS 28 15.799 -6.248 -5.421
185 HZ3 LYS 28 2HZ LYS 28 16.208 -7.478 -4.334
186 H ILE 29 H ILE 29 11.437 -8.841 -7.783
187 HA ILE 29 HA ILE 29 10.900 -11.471 -8.865
188 HB ILE 29 HB ILE 29 9.270 -11.964 -6.970
189 HG12 ILE 29 2HG1 ILE 29 11.081 -10.266 -5.286
190 HG13 ILE 29 3HG1 ILE 29 9.674 -9.545 -6.060
191 HG21 ILE 29 1HG2 ILE 29 11.518 -13.061 -7.421
192 HG22 ILE 29 2HG2 ILE 29 12.152 -12.044 -6.128
193 HG23 ILE 29 3HG2 ILE 29 10.875 -13.211 -5.786
194 HD11 ILE 29 3HD1 ILE 29 9.739 -10.795 -3.609
195 HD12 ILE 29 1HD1 ILE 29 8.298 -10.401 -4.546
196 HD13 ILE 29 2HD1 ILE 29 9.023 -12.004 -4.675
197 H ARG 30 H ARG 30 10.112 -9.972 -10.516
198 HA ARG 30 HA ARG 30 8.411 -8.993 -11.665
199 HB2 ARG 30 2HB ARG 30 7.178 -10.968 -10.555
200 HB3 ARG 30 3HB ARG 30 6.536 -9.765 -9.444
201 HG2 ARG 30 2HG ARG 30 6.068 -8.647 -11.915
202 HG3 ARG 30 3HG ARG 30 5.782 -10.368 -12.182
203 HD2 ARG 30 2HD ARG 30 4.517 -9.969 -9.806
204 HD3 ARG 30 3HD ARG 30 4.260 -8.417 -10.603
205 HE ARG 30 HE ARG 30 3.044 -10.916 -11.271
206 HH11 ARG 30 1HH1 ARG 30 4.108 -7.862 -12.561
207 HH12 ARG 30 2HH1 ARG 30 2.997 -7.888 -13.890
208 HH21 ARG 30 1HH2 ARG 30 1.577 -10.962 -13.017
209 HH22 ARG 30 2HH2 ARG 30 1.557 -9.652 -14.148
210 H GLN 31 H GLN 31 9.952 -7.421 -9.870
211 HA GLN 31 HA GLN 31 10.017 -5.307 -9.034
212 HB2 GLN 31 2HB GLN 31 8.233 -5.173 -11.081
213 HB3 GLN 31 3HB GLN 31 7.234 -4.629 -9.740
214 HG2 GLN 31 2HG GLN 31 8.791 -2.862 -9.237
215 HG3 GLN 31 3HG GLN 31 9.902 -3.448 -10.474
216 HE21 GLN 31 1HE2 GLN 31 9.857 -2.332 -12.274
217 HE22 GLN 31 2HE2 GLN 31 8.494 -1.497 -12.930
218 H THR 32 H THR 32 10.082 -5.355 -6.881
219 HA THR 32 HA THR 32 7.590 -5.121 -5.405
220 HB THR 32 HB THR 32 8.071 -7.570 -5.474
221 HG1 THR 32 HG1 THR 32 6.924 -6.814 -3.708
222 HG21 THR 32 3HG2 THR 32 10.499 -7.503 -5.507
223 HG22 THR 32 1HG2 THR 32 9.944 -8.415 -4.104
224 HG23 THR 32 2HG2 THR 32 10.524 -6.760 -3.908
225 H CYS 33 H CYS 33 8.067 -4.738 -3.016
226 HA CYS 33 HA CYS 33 10.227 -2.791 -2.857
227 HB2 CYS 33 2HB CYS 33 7.673 -2.687 -1.966
228 HB3 CYS 33 3HB CYS 33 8.487 -3.246 -0.508
229 H HIS 34 H HIS 34 11.735 -2.750 -1.116
230 HA HIS 34 HA HIS 34 11.989 -5.009 0.642
231 HB2 HIS 34 2HB HIS 34 12.953 -5.670 -1.687
232 HB3 HIS 34 3HB HIS 34 14.299 -4.628 -1.237
233 HD1 HIS 34 HD1 HIS 34 15.184 -5.306 1.384
234 HD2 HIS 34 HD2 HIS 34 13.454 -8.226 -1.011
235 HE1 HIS 34 HE1 HIS 34 15.955 -7.501 2.338
236 H CYS 35 H CYS 35 13.183 -4.525 2.418
237 HA CYS 35 HA CYS 35 14.307 -1.820 2.526
238 HB2 CYS 35 2HB CYS 35 13.234 -3.716 4.588
239 HB3 CYS 35 3HB CYS 35 14.329 -2.425 5.070
240 H TYR 36 H TYR 36 16.383 -1.408 3.257
241 HA TYR 36 HA TYR 36 18.179 -3.741 3.256
242 HB2 TYR 36 2HB TYR 36 18.789 -0.858 2.569
243 HB3 TYR 36 3HB TYR 36 19.950 -2.182 2.542
244 HD1 TYR 36 HD1 TYR 36 16.788 -0.993 0.991
245 HD2 TYR 36 HD2 TYR 36 20.203 -3.504 0.623
246 HE1 TYR 36 HE1 TYR 36 16.177 -1.471 -1.343
247 HE2 TYR 36 HE2 TYR 36 19.602 -3.988 -1.713
248 HH TYR 36 HH TYR 36 17.043 -3.864 -3.017
Start of MODEL 18
1 H1 GLY 1 H GLY 1 4.541 1.304 0.046
2 HA2 GLY 1 2HA GLY 1 2.256 0.700 0.226
3 HA3 GLY 1 3HA GLY 1 1.931 2.256 0.976
4 H PHE 2 H PHE 2 2.549 4.159 -0.602
5 HA PHE 2 HA PHE 2 1.271 3.532 -3.181
6 HB2 PHE 2 2HB PHE 2 1.288 6.166 -1.692
7 HB3 PHE 2 3HB PHE 2 0.454 5.838 -3.208
8 HD1 PHE 2 HD2 PHE 2 0.472 5.239 0.407
9 HD2 PHE 2 HD1 PHE 2 -1.606 4.611 -3.255
10 HE1 PHE 2 HE2 PHE 2 -1.519 4.526 1.663
11 HE2 PHE 2 HE1 PHE 2 -3.601 3.898 -2.004
12 HZ PHE 2 HZ PHE 2 -3.559 3.853 0.458
13 H GLY 3 H GLY 3 4.060 3.213 -2.769
14 HA2 GLY 3 2HA GLY 3 5.024 4.910 -4.898
15 HA3 GLY 3 3HA GLY 3 5.785 5.219 -3.344
16 H CYS 4 H CYS 4 6.765 4.074 -5.963
17 HA CYS 4 HA CYS 4 8.646 2.288 -4.942
18 HB2 CYS 4 2HB CYS 4 6.112 1.063 -5.485
19 HB3 CYS 4 3HB CYS 4 7.302 0.446 -6.627
20 HA PRO 5 HA PRO 5 8.833 2.123 -9.761
21 HB2 PRO 5 2HB PRO 5 6.763 3.215 -11.137
22 HB3 PRO 5 3HB PRO 5 6.795 1.521 -10.633
23 HG2 PRO 5 2HG PRO 5 5.414 3.851 -9.358
24 HG3 PRO 5 3HG PRO 5 4.812 2.205 -9.629
25 HD2 PRO 5 2HD PRO 5 5.744 3.038 -7.227
26 HD3 PRO 5 3HD PRO 5 5.917 1.363 -7.790
27 H TRP 6 H TRP 6 6.978 4.960 -8.664
28 HA TRP 6 HA TRP 6 9.092 6.666 -9.808
29 HB2 TRP 6 2HB TRP 6 6.960 8.343 -9.738
30 HB3 TRP 6 3HB TRP 6 7.425 7.402 -11.153
31 HD1 TRP 6 HD1 TRP 6 5.798 5.498 -11.938
32 HE1 TRP 6 HE1 TRP 6 3.437 4.774 -11.213
33 HE3 TRP 6 HE3 TRP 6 5.429 8.167 -7.593
34 HZ2 TRP 6 HZ2 TRP 6 1.654 5.268 -9.081
35 HZ3 TRP 6 HZ3 TRP 6 3.362 7.985 -6.270
36 HH2 TRP 6 HH2 TRP 6 1.515 6.566 -7.001
37 H ASN 7 H ASN 7 6.776 6.174 -7.208
38 HA ASN 7 HA ASN 7 7.839 8.431 -5.708
39 HB2 ASN 7 2HB ASN 7 5.428 6.756 -5.591
40 HB3 ASN 7 3HB ASN 7 6.098 7.156 -4.013
41 HD21 ASN 7 1HD2 ASN 7 4.103 8.332 -3.728
42 HD22 ASN 7 2HD2 ASN 7 3.965 9.936 -4.356
43 H ALA 8 H ALA 8 9.996 7.457 -5.576
44 HA ALA 8 HA ALA 8 10.403 5.060 -4.074
45 HB1 ALA 8 1HB ALA 8 12.409 7.228 -4.673
46 HB2 ALA 8 2HB ALA 8 12.745 5.554 -4.232
47 HB3 ALA 8 3HB ALA 8 11.990 5.923 -5.783
48 H TYR 9 H TYR 9 10.122 8.442 -3.303
49 HA TYR 9 HA TYR 9 11.378 8.484 -0.804
50 HB2 TYR 9 2HB TYR 9 9.986 10.303 -2.372
51 HB3 TYR 9 3HB TYR 9 8.999 10.165 -0.921
52 HD1 TYR 9 HD1 TYR 9 12.600 10.543 -1.862
53 HD2 TYR 9 HD2 TYR 9 9.473 11.593 0.825
54 HE1 TYR 9 HE1 TYR 9 14.131 12.065 -0.684
55 HE2 TYR 9 HE2 TYR 9 10.995 13.118 2.010
56 HH TYR 9 HH TYR 9 13.446 14.414 1.014
57 H GLU 10 H GLU 10 8.174 7.437 -1.770
58 HA GLU 10 HA GLU 10 7.055 7.262 0.825
59 HB2 GLU 10 2HB GLU 10 6.081 7.000 -1.712
60 HB3 GLU 10 3HB GLU 10 6.084 5.327 -1.170
61 HG2 GLU 10 2HG GLU 10 4.615 7.662 0.002
62 HG3 GLU 10 3HG GLU 10 3.956 6.164 -0.654
63 H CYS 11 H CYS 11 8.206 4.660 -1.332
64 HA CYS 11 HA CYS 11 8.108 2.634 0.611
65 HB2 CYS 11 2HB CYS 11 8.420 2.569 -2.020
66 HB3 CYS 11 3HB CYS 11 10.125 2.501 -1.587
67 H ASP 12 H ASP 12 10.523 5.028 -0.140
68 HA ASP 12 HA ASP 12 12.656 3.775 1.294
69 HB2 ASP 12 2HB ASP 12 13.278 5.315 -0.411
70 HB3 ASP 12 3HB ASP 12 12.239 6.575 0.251
71 H ARG 13 H ARG 13 10.765 6.724 1.987
72 HA ARG 13 HA ARG 13 11.669 7.093 4.594
73 HB2 ARG 13 2HB ARG 13 9.960 8.671 4.840
74 HB3 ARG 13 3HB ARG 13 10.263 8.655 3.108
75 HG2 ARG 13 2HG ARG 13 8.018 8.532 3.019
76 HG3 ARG 13 3HG ARG 13 8.331 6.807 3.228
77 HD2 ARG 13 2HD ARG 13 6.948 6.945 4.979
78 HD3 ARG 13 3HD ARG 13 8.297 7.717 5.810
79 HE ARG 13 HE ARG 13 6.903 9.690 4.413
80 HH11 ARG 13 1HH1 ARG 13 6.414 7.505 7.079
81 HH12 ARG 13 2HH1 ARG 13 5.293 8.544 7.895
82 HH21 ARG 13 1HH2 ARG 13 5.428 11.067 5.478
83 HH22 ARG 13 2HH2 ARG 13 4.732 10.569 6.983
84 H HIS 14 H HIS 14 9.411 4.818 3.323
85 HA HIS 14 HA HIS 14 7.840 4.260 5.553
86 HB2 HIS 14 2HB HIS 14 7.358 3.325 3.352
87 HB3 HIS 14 3HB HIS 14 8.834 2.366 3.413
88 HD1 HIS 14 HD1 HIS 14 5.314 2.422 4.561
89 HD2 HIS 14 HD2 HIS 14 8.733 0.147 5.190
90 HE1 HIS 14 HE1 HIS 14 4.523 0.318 5.687
91 H CYS 15 H CYS 15 11.008 2.968 4.628
92 HA CYS 15 HA CYS 15 11.156 1.416 7.086
93 HB2 CYS 15 2HB CYS 15 13.151 1.705 4.829
94 HB3 CYS 15 3HB CYS 15 13.279 0.574 6.173
95 H VAL 16 H VAL 16 12.525 4.298 5.640
96 HA VAL 16 HA VAL 16 14.702 4.778 7.261
97 HB VAL 16 HB VAL 16 12.740 6.837 6.240
98 HG11 VAL 16 1HG1 VAL 16 14.662 8.381 6.374
99 HG12 VAL 16 2HG1 VAL 16 14.166 7.772 7.955
100 HG13 VAL 16 3HG1 VAL 16 15.598 7.112 7.164
101 HG21 VAL 16 3HG2 VAL 16 15.134 6.750 4.728
102 HG22 VAL 16 1HG2 VAL 16 14.522 5.101 4.861
103 HG23 VAL 16 2HG2 VAL 16 13.493 6.373 4.203
104 H SER 17 H SER 17 11.309 5.060 8.009
105 HA SER 17 HA SER 17 11.689 6.570 10.421
106 HB2 SER 17 2HB SER 17 9.575 6.820 9.347
107 HB3 SER 17 3HB SER 17 9.329 5.075 9.273
108 HG SER 17 HG SER 17 9.234 6.775 11.528
109 H LYS 18 H LYS 18 11.356 3.178 9.573
110 HA LYS 18 HA LYS 18 11.078 2.220 12.238
111 HB2 LYS 18 2HB LYS 18 11.678 0.977 9.583
112 HB3 LYS 18 3HB LYS 18 11.937 0.035 11.046
113 HG2 LYS 18 2HG LYS 18 9.801 -0.566 10.740
114 HG3 LYS 18 3HG LYS 18 9.451 0.984 11.507
115 HD2 LYS 18 2HD LYS 18 8.567 1.813 9.632
116 HD3 LYS 18 3HD LYS 18 9.929 1.256 8.656
117 HE2 LYS 18 2HE LYS 18 8.266 -0.008 7.740
118 HE3 LYS 18 3HE LYS 18 8.773 -1.091 9.034
119 HZ1 LYS 18 3HZ LYS 18 6.618 -1.078 9.571
120 HZ2 LYS 18 1HZ LYS 18 6.288 0.331 8.694
121 HZ3 LYS 18 2HZ LYS 18 6.928 0.437 10.256
122 H GLY 19 H GLY 19 13.818 2.786 10.097
123 HA2 GLY 19 2HA GLY 19 15.778 3.451 11.706
124 HA3 GLY 19 3HA GLY 19 15.660 1.749 12.127
125 H TYR 20 H TYR 20 15.103 0.718 9.562
126 HA TYR 20 HA TYR 20 17.630 0.245 8.563
127 HB2 TYR 20 2HB TYR 20 15.099 0.205 6.913
128 HB3 TYR 20 3HB TYR 20 16.566 -0.726 6.631
129 HD1 TYR 20 HD1 TYR 20 17.202 -2.515 8.299
130 HD2 TYR 20 HD2 TYR 20 13.397 -0.611 8.324
131 HE1 TYR 20 HE1 TYR 20 16.293 -4.362 9.645
132 HE2 TYR 20 HE2 TYR 20 12.478 -2.452 9.672
133 HH TYR 20 HH TYR 20 13.744 -4.272 11.409
134 H THR 21 H THR 21 18.573 0.845 6.480
135 HA THR 21 HA THR 21 18.985 3.571 6.208
136 HB THR 21 HB THR 21 20.468 1.791 5.273
137 HG1 THR 21 HG1 THR 21 20.774 3.924 4.583
138 HG21 THR 21 3HG2 THR 21 18.775 0.399 4.209
139 HG22 THR 21 1HG2 THR 21 19.966 0.928 3.022
140 HG23 THR 21 2HG2 THR 21 18.382 1.703 3.089
141 H GLY 22 H GLY 22 16.536 1.531 4.771
142 HA2 GLY 22 2HA GLY 22 14.544 3.181 4.304
143 HA3 GLY 22 3HA GLY 22 15.636 3.705 3.030
144 H GLY 23 H GLY 23 12.987 2.541 2.765
145 HA2 GLY 23 2HA GLY 23 13.485 -0.135 1.713
146 HA3 GLY 23 3HA GLY 23 11.920 0.650 1.862
147 H ASN 24 H ASN 24 14.179 -0.395 -0.295
148 HA ASN 24 HA ASN 24 13.280 1.525 -2.343
149 HB2 ASN 24 2HB ASN 24 15.784 -0.086 -2.676
150 HB3 ASN 24 3HB ASN 24 15.360 1.473 -3.377
151 HD21 ASN 24 1HD2 ASN 24 14.624 2.909 -1.187
152 HD22 ASN 24 2HD2 ASN 24 15.979 3.113 -0.135
153 H CYS 25 H CYS 25 12.471 0.745 -4.239
154 HA CYS 25 HA CYS 25 11.915 -2.131 -4.306
155 HB2 CYS 25 2HB CYS 25 10.695 0.009 -6.052
156 HB3 CYS 25 3HB CYS 25 10.100 -1.626 -5.781
157 H ARG 26 H ARG 26 11.987 -3.239 -6.403
158 HA ARG 26 HA ARG 26 13.510 -2.124 -8.552
159 HB2 ARG 26 2HB ARG 26 15.371 -3.813 -8.371
160 HB3 ARG 26 3HB ARG 26 15.401 -2.536 -7.163
161 HG2 ARG 26 2HG ARG 26 14.958 -3.952 -5.447
162 HG3 ARG 26 3HG ARG 26 13.997 -5.042 -6.450
163 HD2 ARG 26 2HD ARG 26 17.003 -4.785 -6.474
164 HD3 ARG 26 3HD ARG 26 16.080 -6.098 -5.745
165 HE ARG 26 HE ARG 26 15.347 -5.920 -8.431
166 HH11 ARG 26 1HH1 ARG 26 18.142 -6.709 -6.511
167 HH12 ARG 26 2HH1 ARG 26 18.803 -7.798 -7.685
168 HH21 ARG 26 1HH2 ARG 26 16.208 -7.351 -9.985
169 HH22 ARG 26 2HH2 ARG 26 17.703 -8.162 -9.661
170 H GLY 27 H GLY 27 14.338 -4.264 -9.918
171 HA2 GLY 27 2HA GLY 27 11.826 -5.636 -10.487
172 HA3 GLY 27 3HA GLY 27 13.252 -5.605 -11.515
173 H LYS 28 H LYS 28 13.437 -6.369 -8.114
174 HA LYS 28 HA LYS 28 14.920 -8.677 -8.412
175 HB2 LYS 28 2HB LYS 28 14.195 -9.239 -6.093
176 HB3 LYS 28 3HB LYS 28 14.770 -7.587 -6.273
177 HG2 LYS 28 2HG LYS 28 12.116 -7.256 -6.702
178 HG3 LYS 28 3HG LYS 28 12.113 -8.595 -5.552
179 HD2 LYS 28 2HD LYS 28 14.009 -6.640 -4.694
180 HD3 LYS 28 3HD LYS 28 12.473 -5.837 -5.032
181 HE2 LYS 28 2HE LYS 28 12.021 -6.460 -2.906
182 HE3 LYS 28 3HE LYS 28 11.570 -7.974 -3.689
183 HZ1 LYS 28 3HZ LYS 28 13.194 -9.031 -2.638
184 HZ2 LYS 28 1HZ LYS 28 13.455 -7.636 -1.717
185 HZ3 LYS 28 2HZ LYS 28 14.355 -7.900 -3.124
186 H ILE 29 H ILE 29 11.403 -8.346 -8.138
187 HA ILE 29 HA ILE 29 11.057 -10.865 -9.526
188 HB ILE 29 HB ILE 29 9.390 -11.652 -7.772
189 HG12 ILE 29 2HG1 ILE 29 10.868 -10.411 -5.599
190 HG13 ILE 29 3HG1 ILE 29 10.046 -9.212 -6.591
191 HG21 ILE 29 1HG2 ILE 29 12.242 -11.645 -6.822
192 HG22 ILE 29 2HG2 ILE 29 11.026 -12.905 -6.621
193 HG23 ILE 29 3HG2 ILE 29 11.703 -12.579 -8.217
194 HD11 ILE 29 3HD1 ILE 29 8.807 -11.552 -5.167
195 HD12 ILE 29 1HD1 ILE 29 8.611 -9.841 -4.792
196 HD13 ILE 29 2HD1 ILE 29 7.945 -10.498 -6.288
197 H ARG 30 H ARG 30 10.333 -9.009 -10.941
198 HA ARG 30 HA ARG 30 8.642 -7.964 -12.046
199 HB2 ARG 30 2HB ARG 30 6.726 -9.407 -10.218
200 HB3 ARG 30 3HB ARG 30 6.422 -8.805 -11.842
201 HG2 ARG 30 2HG ARG 30 8.029 -10.465 -12.718
202 HG3 ARG 30 3HG ARG 30 8.208 -11.105 -11.083
203 HD2 ARG 30 2HD ARG 30 5.426 -10.880 -11.842
204 HD3 ARG 30 3HD ARG 30 6.330 -11.872 -12.986
205 HE ARG 30 HE ARG 30 5.593 -12.576 -10.331
206 HH11 ARG 30 1HH1 ARG 30 8.095 -12.971 -12.720
207 HH12 ARG 30 2HH1 ARG 30 8.636 -14.492 -12.091
208 HH21 ARG 30 1HH2 ARG 30 6.296 -14.578 -9.494
209 HH22 ARG 30 2HH2 ARG 30 7.612 -15.405 -10.257
210 H GLN 31 H GLN 31 9.793 -6.341 -10.350
211 HA GLN 31 HA GLN 31 9.540 -4.393 -9.203
212 HB2 GLN 31 2HB GLN 31 6.577 -4.651 -9.704
213 HB3 GLN 31 3HB GLN 31 7.494 -3.180 -9.408
214 HG2 GLN 31 2HG GLN 31 8.760 -3.964 -11.593
215 HG3 GLN 31 3HG GLN 31 7.229 -4.790 -11.882
216 HE21 GLN 31 1HE2 GLN 31 8.679 -2.357 -13.036
217 HE22 GLN 31 2HE2 GLN 31 7.448 -1.147 -13.100
218 H THR 32 H THR 32 10.022 -4.684 -7.122
219 HA THR 32 HA THR 32 7.880 -5.169 -5.240
220 HB THR 32 HB THR 32 10.265 -7.028 -5.280
221 HG1 THR 32 HG1 THR 32 8.783 -7.628 -6.873
222 HG21 THR 32 3HG2 THR 32 9.732 -6.900 -3.044
223 HG22 THR 32 1HG2 THR 32 8.653 -8.195 -3.561
224 HG23 THR 32 2HG2 THR 32 8.031 -6.558 -3.357
225 H CYS 33 H CYS 33 8.362 -4.490 -3.135
226 HA CYS 33 HA CYS 33 10.537 -2.587 -2.980
227 HB2 CYS 33 2HB CYS 33 7.976 -2.735 -1.884
228 HB3 CYS 33 3HB CYS 33 9.053 -2.976 -0.512
229 H HIS 34 H HIS 34 12.145 -2.571 -1.358
230 HA HIS 34 HA HIS 34 12.495 -4.916 0.307
231 HB2 HIS 34 2HB HIS 34 13.492 -5.648 -1.806
232 HB3 HIS 34 3HB HIS 34 14.509 -4.210 -1.839
233 HD1 HIS 34 HD1 HIS 34 14.085 -5.967 1.409
234 HD2 HIS 34 HD2 HIS 34 16.802 -5.860 -1.733
235 HE1 HIS 34 HE1 HIS 34 16.142 -7.139 2.258
236 H CYS 35 H CYS 35 13.343 -4.334 2.198
237 HA CYS 35 HA CYS 35 14.540 -1.667 2.416
238 HB2 CYS 35 2HB CYS 35 13.276 -3.516 4.436
239 HB3 CYS 35 3HB CYS 35 14.188 -2.087 4.911
240 H TYR 36 H TYR 36 16.601 -1.347 3.043
241 HA TYR 36 HA TYR 36 18.219 -3.746 3.586
242 HB2 TYR 36 2HB TYR 36 19.214 -1.090 2.545
243 HB3 TYR 36 3HB TYR 36 20.101 -2.609 2.620
244 HD1 TYR 36 HD1 TYR 36 17.362 -0.820 0.906
245 HD2 TYR 36 HD2 TYR 36 19.887 -4.244 0.901
246 HE1 TYR 36 HE1 TYR 36 16.624 -1.354 -1.379
247 HE2 TYR 36 HE2 TYR 36 19.158 -4.786 -1.384
248 HH TYR 36 HH TYR 36 16.479 -3.480 -2.817
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.562 2.577 -7.029
2 HA2 GLY 1 2HA GLY 1 -1.081 2.433 -5.712
3 HA3 GLY 1 3HA GLY 1 0.073 1.109 -5.656
4 H PHE 2 H PHE 2 1.675 1.121 -4.152
5 HA PHE 2 HA PHE 2 1.508 3.223 -2.129
6 HB2 PHE 2 2HB PHE 2 2.755 0.472 -2.104
7 HB3 PHE 2 3HB PHE 2 2.912 1.617 -0.775
8 HD1 PHE 2 HD2 PHE 2 0.228 2.776 -0.647
9 HD2 PHE 2 HD1 PHE 2 1.450 -1.251 -1.283
10 HE1 PHE 2 HE2 PHE 2 -1.906 1.985 0.286
11 HE2 PHE 2 HE1 PHE 2 -0.683 -2.049 -0.352
12 HZ PHE 2 HZ PHE 2 -2.364 -0.431 0.435
13 H GLY 3 H GLY 3 2.891 3.544 -4.743
14 HA2 GLY 3 2HA GLY 3 4.759 4.678 -5.464
15 HA3 GLY 3 3HA GLY 3 5.197 4.900 -3.777
16 H CYS 4 H CYS 4 6.753 4.135 -6.244
17 HA CYS 4 HA CYS 4 8.608 2.436 -5.045
18 HB2 CYS 4 2HB CYS 4 6.371 1.051 -6.228
19 HB3 CYS 4 3HB CYS 4 7.857 0.642 -7.078
20 HA PRO 5 HA PRO 5 9.678 2.805 -9.735
21 HB2 PRO 5 2HB PRO 5 7.779 3.835 -11.380
22 HB3 PRO 5 3HB PRO 5 7.911 2.108 -11.028
23 HG2 PRO 5 2HG PRO 5 6.068 4.147 -9.842
24 HG3 PRO 5 3HG PRO 5 5.715 2.490 -10.365
25 HD2 PRO 5 2HD PRO 5 6.100 3.146 -7.766
26 HD3 PRO 5 3HD PRO 5 6.559 1.565 -8.430
27 H TRP 6 H TRP 6 7.328 5.324 -8.815
28 HA TRP 6 HA TRP 6 9.412 7.334 -9.367
29 HB2 TRP 6 2HB TRP 6 7.134 8.786 -9.569
30 HB3 TRP 6 3HB TRP 6 7.940 8.033 -10.942
31 HD1 TRP 6 HD1 TRP 6 6.681 6.096 -12.178
32 HE1 TRP 6 HE1 TRP 6 4.325 5.083 -11.958
33 HE3 TRP 6 HE3 TRP 6 5.290 8.232 -7.747
34 HZ2 TRP 6 HZ2 TRP 6 2.163 5.178 -10.146
35 HZ3 TRP 6 HZ3 TRP 6 3.061 7.720 -6.839
36 HH2 TRP 6 HH2 TRP 6 1.531 6.224 -8.015
37 H ASN 7 H ASN 7 6.790 6.299 -7.282
38 HA ASN 7 HA ASN 7 7.262 8.502 -5.433
39 HB2 ASN 7 2HB ASN 7 5.099 6.592 -5.927
40 HB3 ASN 7 3HB ASN 7 5.442 6.823 -4.215
41 HD21 ASN 7 1HD2 ASN 7 3.308 7.749 -4.137
42 HD22 ASN 7 2HD2 ASN 7 3.077 9.402 -4.581
43 H ALA 8 H ALA 8 9.284 6.399 -5.929
44 HA ALA 8 HA ALA 8 9.492 4.481 -3.969
45 HB1 ALA 8 1HB ALA 8 11.823 6.133 -4.919
46 HB2 ALA 8 2HB ALA 8 11.834 4.459 -4.362
47 HB3 ALA 8 3HB ALA 8 11.063 4.873 -5.893
48 H TYR 9 H TYR 9 9.974 7.934 -3.701
49 HA TYR 9 HA TYR 9 11.400 8.125 -1.342
50 HB2 TYR 9 2HB TYR 9 9.975 9.882 -2.999
51 HB3 TYR 9 3HB TYR 9 9.277 10.090 -1.397
52 HD1 TYR 9 HD2 TYR 9 12.731 9.589 -2.754
53 HD2 TYR 9 HD1 TYR 9 10.159 11.879 -0.255
54 HE1 TYR 9 HE2 TYR 9 14.630 11.017 -2.117
55 HE2 TYR 9 HE1 TYR 9 12.051 13.314 0.387
56 HH TYR 9 HH TYR 9 14.949 13.380 -1.261
57 H GLU 10 H GLU 10 8.074 7.226 -1.846
58 HA GLU 10 HA GLU 10 7.251 7.559 0.873
59 HB2 GLU 10 2HB GLU 10 5.556 7.638 -0.808
60 HB3 GLU 10 3HB GLU 10 6.049 6.085 -1.468
61 HG2 GLU 10 2HG GLU 10 3.948 6.056 -0.116
62 HG3 GLU 10 3HG GLU 10 5.188 4.913 0.397
63 H CYS 11 H CYS 11 8.227 4.785 -1.112
64 HA CYS 11 HA CYS 11 7.910 2.869 0.966
65 HB2 CYS 11 2HB CYS 11 8.133 2.616 -1.673
66 HB3 CYS 11 3HB CYS 11 9.830 2.389 -1.264
67 H ASP 12 H ASP 12 10.499 4.973 -0.037
68 HA ASP 12 HA ASP 12 12.585 3.643 1.374
69 HB2 ASP 12 2HB ASP 12 13.253 5.077 -0.394
70 HB3 ASP 12 3HB ASP 12 12.308 6.422 0.239
71 H ARG 13 H ARG 13 10.866 6.696 2.056
72 HA ARG 13 HA ARG 13 11.928 7.126 4.593
73 HB2 ARG 13 2HB ARG 13 10.253 8.751 4.894
74 HB3 ARG 13 3HB ARG 13 10.526 8.707 3.157
75 HG2 ARG 13 2HG ARG 13 8.271 8.665 3.127
76 HG3 ARG 13 3HG ARG 13 8.543 6.931 3.307
77 HD2 ARG 13 2HD ARG 13 7.218 7.068 5.100
78 HD3 ARG 13 3HD ARG 13 8.590 7.831 5.902
79 HE ARG 13 HE ARG 13 7.093 9.766 4.492
80 HH11 ARG 13 1HH1 ARG 13 6.966 7.760 7.335
81 HH12 ARG 13 2HH1 ARG 13 5.945 8.848 8.216
82 HH21 ARG 13 1HH2 ARG 13 5.750 11.206 5.642
83 HH22 ARG 13 2HH2 ARG 13 5.253 10.808 7.252
84 H HIS 14 H HIS 14 9.519 4.896 3.534
85 HA HIS 14 HA HIS 14 8.062 4.473 5.868
86 HB2 HIS 14 2HB HIS 14 7.453 3.487 3.704
87 HB3 HIS 14 3HB HIS 14 8.867 2.440 3.777
88 HD1 HIS 14 HD1 HIS 14 5.356 2.574 4.677
89 HD2 HIS 14 HD2 HIS 14 8.721 0.537 6.015
90 HE1 HIS 14 HE1 HIS 14 4.480 0.639 6.024
91 H CYS 15 H CYS 15 11.125 3.038 4.816
92 HA CYS 15 HA CYS 15 11.359 1.563 7.316
93 HB2 CYS 15 2HB CYS 15 13.190 1.700 4.910
94 HB3 CYS 15 3HB CYS 15 13.434 0.655 6.307
95 H VAL 16 H VAL 16 12.714 4.361 5.711
96 HA VAL 16 HA VAL 16 15.007 4.817 7.174
97 HB VAL 16 HB VAL 16 13.036 6.900 6.220
98 HG11 VAL 16 1HG1 VAL 16 14.619 7.788 7.858
99 HG12 VAL 16 2HG1 VAL 16 15.963 7.160 6.902
100 HG13 VAL 16 3HG1 VAL 16 14.933 8.433 6.247
101 HG21 VAL 16 3HG2 VAL 16 13.806 6.623 4.137
102 HG22 VAL 16 1HG2 VAL 16 15.477 6.482 4.681
103 HG23 VAL 16 2HG2 VAL 16 14.419 5.071 4.707
104 H SER 17 H SER 17 11.676 5.227 8.127
105 HA SER 17 HA SER 17 12.236 6.793 10.459
106 HB2 SER 17 2HB SER 17 10.056 7.131 9.788
107 HB3 SER 17 3HB SER 17 9.830 5.449 9.309
108 HG SER 17 HG SER 17 9.455 6.660 11.761
109 H LYS 18 H LYS 18 11.829 3.377 9.756
110 HA LYS 18 HA LYS 18 11.694 2.488 12.445
111 HB2 LYS 18 2HB LYS 18 12.200 1.199 9.800
112 HB3 LYS 18 3HB LYS 18 12.589 0.297 11.259
113 HG2 LYS 18 2HG LYS 18 10.457 -0.397 11.015
114 HG3 LYS 18 3HG LYS 18 10.126 1.090 11.907
115 HD2 LYS 18 2HD LYS 18 8.914 1.844 10.204
116 HD3 LYS 18 3HD LYS 18 10.325 1.742 9.149
117 HE2 LYS 18 2HE LYS 18 9.068 0.268 8.008
118 HE3 LYS 18 3HE LYS 18 9.581 -0.860 9.261
119 HZ1 LYS 18 3HZ LYS 18 7.151 -0.836 8.840
120 HZ2 LYS 18 1HZ LYS 18 7.097 0.755 9.413
121 HZ3 LYS 18 2HZ LYS 18 7.564 -0.500 10.446
122 H GLY 19 H GLY 19 14.357 3.003 10.187
123 HA2 GLY 19 2HA GLY 19 16.393 3.800 11.533
124 HA3 GLY 19 3HA GLY 19 16.254 2.227 12.303
125 H TYR 20 H TYR 20 15.332 1.217 9.543
126 HA TYR 20 HA TYR 20 17.841 0.187 8.746
127 HB2 TYR 20 2HB TYR 20 15.158 0.202 7.356
128 HB3 TYR 20 3HB TYR 20 16.564 -0.671 6.757
129 HD1 TYR 20 HD1 TYR 20 17.703 -2.228 8.626
130 HD2 TYR 20 HD2 TYR 20 13.630 -0.997 8.593
131 HE1 TYR 20 HE1 TYR 20 17.115 -4.154 10.040
132 HE2 TYR 20 HE2 TYR 20 13.031 -2.918 10.007
133 HH TYR 20 HH TYR 20 15.103 -5.525 10.539
134 H THR 21 H THR 21 18.147 0.276 6.123
135 HA THR 21 HA THR 21 19.184 2.891 5.656
136 HB THR 21 HB THR 21 18.946 0.515 3.801
137 HG1 THR 21 HG1 THR 21 21.209 1.570 5.178
138 HG21 THR 21 3HG2 THR 21 20.309 3.179 3.461
139 HG22 THR 21 1HG2 THR 21 19.128 2.416 2.398
140 HG23 THR 21 2HG2 THR 21 20.758 1.754 2.525
141 H GLY 22 H GLY 22 16.375 1.096 4.506
142 HA2 GLY 22 2HA GLY 22 14.548 2.950 4.125
143 HA3 GLY 22 3HA GLY 22 15.606 3.326 2.773
144 H GLY 23 H GLY 23 12.789 2.321 2.914
145 HA2 GLY 23 2HA GLY 23 12.908 -0.371 1.874
146 HA3 GLY 23 3HA GLY 23 11.472 0.631 2.021
147 H ASN 24 H ASN 24 13.977 -0.475 -0.050
148 HA ASN 24 HA ASN 24 13.027 1.274 -2.216
149 HB2 ASN 24 2HB ASN 24 15.481 -0.439 -2.428
150 HB3 ASN 24 3HB ASN 24 15.108 1.074 -3.249
151 HD21 ASN 24 1HD2 ASN 24 14.370 2.661 -1.140
152 HD22 ASN 24 2HD2 ASN 24 15.731 2.916 -0.106
153 H CYS 25 H CYS 25 12.334 0.419 -4.159
154 HA CYS 25 HA CYS 25 11.520 -2.388 -4.044
155 HB2 CYS 25 2HB CYS 25 10.694 -0.321 -6.086
156 HB3 CYS 25 3HB CYS 25 9.910 -1.858 -5.734
157 H ARG 26 H ARG 26 11.921 -3.846 -5.731
158 HA ARG 26 HA ARG 26 13.689 -3.050 -7.893
159 HB2 ARG 26 2HB ARG 26 14.511 -4.868 -5.652
160 HB3 ARG 26 3HB ARG 26 15.178 -5.093 -7.263
161 HG2 ARG 26 2HG ARG 26 15.343 -2.552 -5.655
162 HG3 ARG 26 3HG ARG 26 16.633 -3.745 -5.823
163 HD2 ARG 26 2HD ARG 26 16.219 -3.343 -8.389
164 HD3 ARG 26 3HD ARG 26 15.549 -1.815 -7.819
165 HE ARG 26 HE ARG 26 17.990 -2.058 -6.579
166 HH11 ARG 26 1HH1 ARG 26 16.831 -1.961 -9.860
167 HH12 ARG 26 2HH1 ARG 26 18.276 -1.241 -10.487
168 HH21 ARG 26 1HH2 ARG 26 19.898 -1.110 -7.392
169 HH22 ARG 26 2HH2 ARG 26 20.021 -0.758 -9.083
170 H GLY 27 H GLY 27 14.307 -5.209 -9.152
171 HA2 GLY 27 2HA GLY 27 11.737 -6.472 -9.726
172 HA3 GLY 27 3HA GLY 27 13.171 -6.524 -10.740
173 H LYS 28 H LYS 28 12.925 -7.310 -7.301
174 HA LYS 28 HA LYS 28 14.377 -9.728 -7.623
175 HB2 LYS 28 2HB LYS 28 13.713 -10.116 -5.220
176 HB3 LYS 28 3HB LYS 28 14.557 -8.605 -5.532
177 HG2 LYS 28 2HG LYS 28 11.644 -8.402 -5.700
178 HG3 LYS 28 3HG LYS 28 12.253 -8.852 -4.106
179 HD2 LYS 28 2HD LYS 28 13.516 -6.586 -5.592
180 HD3 LYS 28 3HD LYS 28 11.988 -6.334 -4.744
181 HE2 LYS 28 2HE LYS 28 13.520 -5.774 -3.117
182 HE3 LYS 28 3HE LYS 28 13.225 -7.473 -2.754
183 HZ1 LYS 28 3HZ LYS 28 15.634 -6.625 -2.866
184 HZ2 LYS 28 1HZ LYS 28 15.433 -6.698 -4.544
185 HZ3 LYS 28 2HZ LYS 28 15.260 -8.098 -3.610
186 H ILE 29 H ILE 29 10.966 -8.942 -7.432
187 HA ILE 29 HA ILE 29 10.291 -11.563 -8.449
188 HB ILE 29 HB ILE 29 8.485 -11.814 -6.639
189 HG12 ILE 29 2HG1 ILE 29 10.325 -10.499 -4.738
190 HG13 ILE 29 3HG1 ILE 29 9.408 -9.410 -5.773
191 HG21 ILE 29 1HG2 ILE 29 10.829 -13.013 -6.983
192 HG22 ILE 29 2HG2 ILE 29 11.153 -12.258 -5.423
193 HG23 ILE 29 3HG2 ILE 29 9.790 -13.363 -5.601
194 HD11 ILE 29 3HD1 ILE 29 8.400 -9.981 -3.528
195 HD12 ILE 29 1HD1 ILE 29 7.356 -10.179 -4.936
196 HD13 ILE 29 2HD1 ILE 29 8.101 -11.591 -4.184
197 H ARG 30 H ARG 30 9.882 -9.756 -10.090
198 HA ARG 30 HA ARG 30 8.373 -8.636 -11.371
199 HB2 ARG 30 2HB ARG 30 6.981 -10.693 -10.649
200 HB3 ARG 30 3HB ARG 30 6.174 -9.579 -9.553
201 HG2 ARG 30 2HG ARG 30 4.868 -9.761 -11.538
202 HG3 ARG 30 3HG ARG 30 5.608 -8.159 -11.513
203 HD2 ARG 30 2HD ARG 30 6.575 -8.542 -13.474
204 HD3 ARG 30 3HD ARG 30 7.369 -9.978 -12.829
205 HE ARG 30 HE ARG 30 4.847 -10.824 -13.363
206 HH11 ARG 30 1HH1 ARG 30 7.302 -9.208 -15.228
207 HH12 ARG 30 2HH1 ARG 30 6.799 -9.901 -16.734
208 HH21 ARG 30 1HH2 ARG 30 4.174 -11.743 -15.340
209 HH22 ARG 30 2HH2 ARG 30 5.019 -11.342 -16.797
210 H GLN 31 H GLN 31 9.650 -7.041 -9.682
211 HA GLN 31 HA GLN 31 9.586 -4.982 -8.717
212 HB2 GLN 31 2HB GLN 31 7.853 -4.718 -10.640
213 HB3 GLN 31 3HB GLN 31 6.661 -4.771 -9.348
214 HG2 GLN 31 2HG GLN 31 8.127 -2.910 -8.282
215 HG3 GLN 31 3HG GLN 31 8.737 -2.710 -9.924
216 HE21 GLN 31 1HE2 GLN 31 7.791 -0.559 -9.663
217 HE22 GLN 31 2HE2 GLN 31 6.117 -0.340 -10.025
218 H THR 32 H THR 32 9.850 -5.163 -6.584
219 HA THR 32 HA THR 32 7.500 -5.205 -4.887
220 HB THR 32 HB THR 32 9.644 -7.314 -4.562
221 HG1 THR 32 HG1 THR 32 6.879 -7.631 -5.176
222 HG21 THR 32 3HG2 THR 32 7.842 -8.128 -2.858
223 HG22 THR 32 1HG2 THR 32 7.338 -6.439 -2.870
224 HG23 THR 32 2HG2 THR 32 8.981 -6.866 -2.391
225 H CYS 33 H CYS 33 7.859 -4.355 -2.830
226 HA CYS 33 HA CYS 33 10.172 -2.654 -2.621
227 HB2 CYS 33 2HB CYS 33 7.544 -2.609 -1.631
228 HB3 CYS 33 3HB CYS 33 8.577 -2.756 -0.213
229 H HIS 34 H HIS 34 11.706 -2.659 -0.940
230 HA HIS 34 HA HIS 34 11.794 -4.893 0.901
231 HB2 HIS 34 2HB HIS 34 12.810 -5.731 -1.249
232 HB3 HIS 34 3HB HIS 34 14.069 -4.515 -1.052
233 HD1 HIS 34 HD1 HIS 34 15.552 -4.784 1.191
234 HD2 HIS 34 HD2 HIS 34 13.273 -8.071 0.068
235 HE1 HIS 34 HE1 HIS 34 16.525 -6.736 2.443
236 H CYS 35 H CYS 35 12.731 -4.316 2.766
237 HA CYS 35 HA CYS 35 14.018 -1.688 2.881
238 HB2 CYS 35 2HB CYS 35 12.782 -3.455 4.992
239 HB3 CYS 35 3HB CYS 35 13.709 -2.012 5.387
240 H TYR 36 H TYR 36 16.133 -1.465 3.202
241 HA TYR 36 HA TYR 36 17.710 -3.866 3.775
242 HB2 TYR 36 2HB TYR 36 18.623 -1.164 2.765
243 HB3 TYR 36 3HB TYR 36 19.618 -2.609 2.907
244 HD1 TYR 36 HD1 TYR 36 18.690 -4.712 1.595
245 HD2 TYR 36 HD2 TYR 36 17.689 -0.673 0.710
246 HE1 TYR 36 HE1 TYR 36 18.064 -5.374 -0.690
247 HE2 TYR 36 HE2 TYR 36 17.059 -1.324 -1.577
248 HH TYR 36 HH TYR 36 16.495 -3.160 -2.879
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -1.473 -1.450 -4.415
2 HA2 GLY 1 2HA GLY 1 1.461 -1.497 -4.130
3 HA3 GLY 1 3HA GLY 1 0.713 -0.663 -5.483
4 H PHE 2 H PHE 2 2.258 0.922 -4.163
5 HA PHE 2 HA PHE 2 0.626 2.968 -3.186
6 HB2 PHE 2 2HB PHE 2 1.570 2.929 -0.780
7 HB3 PHE 2 3HB PHE 2 0.235 1.848 -1.168
8 HD1 PHE 2 HD2 PHE 2 3.965 1.786 -1.369
9 HD2 PHE 2 HD1 PHE 2 0.389 -0.255 -0.290
10 HE1 PHE 2 HE2 PHE 2 5.297 -0.131 -0.593
11 HE2 PHE 2 HE1 PHE 2 1.716 -2.175 0.490
12 HZ PHE 2 HZ PHE 2 4.173 -2.115 0.338
13 H GLY 3 H GLY 3 2.851 2.540 -4.958
14 HA2 GLY 3 2HA GLY 3 4.377 4.346 -5.499
15 HA3 GLY 3 3HA GLY 3 4.728 4.490 -3.783
16 H CYS 4 H CYS 4 6.405 3.963 -6.257
17 HA CYS 4 HA CYS 4 8.361 2.369 -5.080
18 HB2 CYS 4 2HB CYS 4 6.256 0.853 -6.340
19 HB3 CYS 4 3HB CYS 4 7.780 0.586 -7.180
20 HA PRO 5 HA PRO 5 9.468 2.966 -9.740
21 HB2 PRO 5 2HB PRO 5 7.523 3.911 -11.380
22 HB3 PRO 5 3HB PRO 5 7.774 2.187 -11.083
23 HG2 PRO 5 2HG PRO 5 5.773 4.048 -9.861
24 HG3 PRO 5 3HG PRO 5 5.548 2.388 -10.443
25 HD2 PRO 5 2HD PRO 5 5.848 2.983 -7.819
26 HD3 PRO 5 3HD PRO 5 6.429 1.462 -8.526
27 H TRP 6 H TRP 6 6.925 5.278 -8.789
28 HA TRP 6 HA TRP 6 8.865 7.451 -9.246
29 HB2 TRP 6 2HB TRP 6 6.493 8.743 -9.418
30 HB3 TRP 6 3HB TRP 6 7.350 8.087 -10.810
31 HD1 TRP 6 HD1 TRP 6 6.227 6.105 -12.105
32 HE1 TRP 6 HE1 TRP 6 3.945 4.928 -11.920
33 HE3 TRP 6 HE3 TRP 6 4.689 8.013 -7.618
34 HZ2 TRP 6 HZ2 TRP 6 1.780 4.823 -10.112
35 HZ3 TRP 6 HZ3 TRP 6 2.500 7.324 -6.731
36 HH2 TRP 6 HH2 TRP 6 1.077 5.763 -7.955
37 H ASN 7 H ASN 7 6.330 6.148 -7.209
38 HA ASN 7 HA ASN 7 6.618 8.320 -5.289
39 HB2 ASN 7 2HB ASN 7 4.610 6.281 -5.869
40 HB3 ASN 7 3HB ASN 7 4.944 6.431 -4.146
41 HD21 ASN 7 1HD2 ASN 7 2.806 7.222 -3.902
42 HD22 ASN 7 2HD2 ASN 7 2.426 8.864 -4.283
43 H ALA 8 H ALA 8 8.801 6.395 -5.849
44 HA ALA 8 HA ALA 8 9.164 4.445 -3.946
45 HB1 ALA 8 1HB ALA 8 11.343 6.309 -4.865
46 HB2 ALA 8 2HB ALA 8 11.508 4.638 -4.322
47 HB3 ALA 8 3HB ALA 8 10.699 4.994 -5.848
48 H TYR 9 H TYR 9 9.369 7.915 -3.574
49 HA TYR 9 HA TYR 9 10.780 8.157 -1.215
50 HB2 TYR 9 2HB TYR 9 9.169 9.826 -2.805
51 HB3 TYR 9 3HB TYR 9 8.504 9.932 -1.179
52 HD1 TYR 9 HD1 TYR 9 11.872 9.915 -2.815
53 HD2 TYR 9 HD2 TYR 9 9.342 11.605 0.160
54 HE1 TYR 9 HE1 TYR 9 13.661 11.483 -2.193
55 HE2 TYR 9 HE2 TYR 9 11.125 13.179 0.789
56 HH TYR 9 HH TYR 9 13.992 13.559 -1.098
57 H GLU 10 H GLU 10 7.538 6.993 -1.731
58 HA GLU 10 HA GLU 10 6.648 7.193 0.959
59 HB2 GLU 10 2HB GLU 10 5.001 7.000 -0.760
60 HB3 GLU 10 3HB GLU 10 5.723 5.519 -1.373
61 HG2 GLU 10 2HG GLU 10 3.691 5.039 -0.155
62 HG3 GLU 10 3HG GLU 10 5.087 4.356 0.676
63 H CYS 11 H CYS 11 7.766 4.400 -0.956
64 HA CYS 11 HA CYS 11 7.778 2.580 1.193
65 HB2 CYS 11 2HB CYS 11 8.026 2.290 -1.457
66 HB3 CYS 11 3HB CYS 11 9.730 2.207 -1.019
67 H ASP 12 H ASP 12 10.037 4.995 0.169
68 HA ASP 12 HA ASP 12 12.334 3.957 1.483
69 HB2 ASP 12 2HB ASP 12 12.721 5.550 -0.232
70 HB3 ASP 12 3HB ASP 12 11.598 6.704 0.482
71 H ARG 13 H ARG 13 10.275 6.747 2.337
72 HA ARG 13 HA ARG 13 11.324 7.104 4.906
73 HB2 ARG 13 2HB ARG 13 8.595 7.808 3.814
74 HB3 ARG 13 3HB ARG 13 9.227 8.378 5.353
75 HG2 ARG 13 2HG ARG 13 11.213 9.049 3.567
76 HG3 ARG 13 3HG ARG 13 9.726 9.339 2.662
77 HD2 ARG 13 2HD ARG 13 8.981 10.945 4.146
78 HD3 ARG 13 3HD ARG 13 9.965 10.324 5.470
79 HE ARG 13 HE ARG 13 10.730 12.277 3.531
80 HH11 ARG 13 1HH1 ARG 13 11.922 9.737 5.591
81 HH12 ARG 13 2HH1 ARG 13 13.523 10.392 5.692
82 HH21 ARG 13 1HH2 ARG 13 12.834 13.149 3.656
83 HH22 ARG 13 2HH2 ARG 13 14.040 12.333 4.591
84 H HIS 14 H HIS 14 9.161 4.746 3.683
85 HA HIS 14 HA HIS 14 7.656 4.119 5.955
86 HB2 HIS 14 2HB HIS 14 7.159 3.208 3.732
87 HB3 HIS 14 3HB HIS 14 8.647 2.267 3.776
88 HD1 HIS 14 HD1 HIS 14 5.125 2.218 4.839
89 HD2 HIS 14 HD2 HIS 14 8.604 0.105 5.673
90 HE1 HIS 14 HE1 HIS 14 4.374 0.118 6.001
91 H CYS 15 H CYS 15 10.837 2.963 4.908
92 HA CYS 15 HA CYS 15 11.120 1.373 7.331
93 HB2 CYS 15 2HB CYS 15 13.022 1.776 5.012
94 HB3 CYS 15 3HB CYS 15 13.251 0.638 6.336
95 H VAL 16 H VAL 16 12.307 4.343 5.912
96 HA VAL 16 HA VAL 16 14.527 4.881 7.456
97 HB VAL 16 HB VAL 16 12.427 6.854 6.545
98 HG11 VAL 16 1HG1 VAL 16 14.730 8.247 6.564
99 HG12 VAL 16 2HG1 VAL 16 13.595 8.218 7.916
100 HG13 VAL 16 3HG1 VAL 16 15.012 7.168 7.930
101 HG21 VAL 16 3HG2 VAL 16 14.817 6.944 5.011
102 HG22 VAL 16 1HG2 VAL 16 14.276 5.267 5.090
103 HG23 VAL 16 2HG2 VAL 16 13.188 6.517 4.486
104 H SER 17 H SER 17 11.158 4.989 8.348
105 HA SER 17 HA SER 17 11.579 6.444 10.789
106 HB2 SER 17 2HB SER 17 9.414 6.450 9.533
107 HB3 SER 17 3HB SER 17 9.190 4.763 9.993
108 HG SER 17 HG SER 17 9.172 7.066 11.611
109 H LYS 18 H LYS 18 11.346 3.072 9.843
110 HA LYS 18 HA LYS 18 11.198 2.016 12.481
111 HB2 LYS 18 2HB LYS 18 11.747 0.890 9.766
112 HB3 LYS 18 3HB LYS 18 12.114 -0.088 11.180
113 HG2 LYS 18 2HG LYS 18 9.997 -0.781 10.933
114 HG3 LYS 18 3HG LYS 18 9.612 0.716 11.785
115 HD2 LYS 18 2HD LYS 18 8.609 1.587 9.989
116 HD3 LYS 18 3HD LYS 18 9.944 1.128 8.929
117 HE2 LYS 18 2HE LYS 18 8.340 -0.201 8.029
118 HE3 LYS 18 3HE LYS 18 8.875 -1.285 9.312
119 HZ1 LYS 18 3HZ LYS 18 6.391 -0.902 9.063
120 HZ2 LYS 18 1HZ LYS 18 6.663 0.630 9.728
121 HZ3 LYS 18 2HZ LYS 18 7.036 -0.757 10.621
122 H GLY 19 H GLY 19 13.840 2.760 10.271
123 HA2 GLY 19 2HA GLY 19 15.824 3.455 11.841
124 HA3 GLY 19 3HA GLY 19 15.790 1.736 12.203
125 H TYR 20 H TYR 20 15.191 0.769 9.625
126 HA TYR 20 HA TYR 20 17.705 0.450 8.527
127 HB2 TYR 20 2HB TYR 20 15.122 0.325 6.965
128 HB3 TYR 20 3HB TYR 20 16.622 -0.523 6.609
129 HD1 TYR 20 HD1 TYR 20 17.425 -2.277 8.280
130 HD2 TYR 20 HD2 TYR 20 13.491 -0.656 8.332
131 HE1 TYR 20 HE1 TYR 20 16.656 -4.202 9.604
132 HE2 TYR 20 HE2 TYR 20 12.711 -2.576 9.657
133 HH TYR 20 HH TYR 20 14.494 -4.481 11.361
134 H THR 21 H THR 21 18.525 1.149 6.416
135 HA THR 21 HA THR 21 18.794 3.901 6.214
136 HB THR 21 HB THR 21 20.327 2.228 5.171
137 HG1 THR 21 HG1 THR 21 20.785 3.579 3.397
138 HG21 THR 21 3HG2 THR 21 18.666 0.777 4.136
139 HG22 THR 21 1HG2 THR 21 19.779 1.400 2.918
140 HG23 THR 21 2HG2 THR 21 18.161 2.087 3.069
141 H GLY 22 H GLY 22 16.391 1.781 4.818
142 HA2 GLY 22 2HA GLY 22 14.313 3.368 4.474
143 HA3 GLY 22 3HA GLY 22 15.325 3.937 3.154
144 H GLY 23 H GLY 23 12.724 2.726 2.940
145 HA2 GLY 23 2HA GLY 23 13.251 0.055 1.879
146 HA3 GLY 23 3HA GLY 23 11.672 0.799 2.085
147 H ASN 24 H ASN 24 13.888 -0.178 -0.152
148 HA ASN 24 HA ASN 24 12.804 1.673 -2.173
149 HB2 ASN 24 2HB ASN 24 15.430 0.333 -2.632
150 HB3 ASN 24 3HB ASN 24 14.853 1.897 -3.201
151 HD21 ASN 24 1HD2 ASN 24 14.155 3.212 -0.995
152 HD22 ASN 24 2HD2 ASN 24 15.503 3.412 0.066
153 H CYS 25 H CYS 25 12.276 0.812 -4.192
154 HA CYS 25 HA CYS 25 11.808 -2.079 -4.165
155 HB2 CYS 25 2HB CYS 25 10.699 -0.103 -6.155
156 HB3 CYS 25 3HB CYS 25 10.096 -1.713 -5.771
157 H ARG 26 H ARG 26 12.048 -3.252 -6.239
158 HA ARG 26 HA ARG 26 13.794 -2.186 -8.246
159 HB2 ARG 26 2HB ARG 26 15.573 -3.948 -7.847
160 HB3 ARG 26 3HB ARG 26 15.542 -2.611 -6.706
161 HG2 ARG 26 2HG ARG 26 14.744 -3.921 -4.983
162 HG3 ARG 26 3HG ARG 26 14.073 -5.131 -6.079
163 HD2 ARG 26 2HD ARG 26 15.941 -6.200 -5.219
164 HD3 ARG 26 3HD ARG 26 16.534 -5.549 -6.747
165 HE ARG 26 HE ARG 26 16.952 -3.815 -4.486
166 HH11 ARG 26 1HH1 ARG 26 18.237 -6.440 -6.377
167 HH12 ARG 26 2HH1 ARG 26 19.880 -6.142 -5.914
168 HH21 ARG 26 1HH2 ARG 26 19.110 -3.412 -3.869
169 HH22 ARG 26 2HH2 ARG 26 20.375 -4.420 -4.487
170 H GLY 27 H GLY 27 14.696 -4.327 -9.528
171 HA2 GLY 27 2HA GLY 27 12.231 -5.680 -10.307
172 HA3 GLY 27 3HA GLY 27 13.739 -5.663 -11.209
173 H LYS 28 H LYS 28 13.471 -6.459 -7.799
174 HA LYS 28 HA LYS 28 14.997 -8.787 -7.988
175 HB2 LYS 28 2HB LYS 28 14.127 -9.305 -5.716
176 HB3 LYS 28 3HB LYS 28 14.727 -7.660 -5.873
177 HG2 LYS 28 2HG LYS 28 12.128 -7.272 -6.458
178 HG3 LYS 28 3HG LYS 28 12.004 -8.644 -5.354
179 HD2 LYS 28 2HD LYS 28 13.776 -6.393 -4.569
180 HD3 LYS 28 3HD LYS 28 12.032 -6.129 -4.493
181 HE2 LYS 28 2HE LYS 28 13.004 -8.663 -3.340
182 HE3 LYS 28 3HE LYS 28 13.488 -7.198 -2.487
183 HZ1 LYS 28 3HZ LYS 28 11.061 -6.571 -2.560
184 HZ2 LYS 28 1HZ LYS 28 11.463 -7.860 -1.540
185 HZ3 LYS 28 2HZ LYS 28 10.745 -8.161 -3.041
186 H ILE 29 H ILE 29 11.481 -8.355 -7.963
187 HA ILE 29 HA ILE 29 11.161 -10.886 -9.336
188 HB ILE 29 HB ILE 29 9.346 -11.592 -7.700
189 HG12 ILE 29 2HG1 ILE 29 10.695 -10.351 -5.443
190 HG13 ILE 29 3HG1 ILE 29 9.981 -9.150 -6.513
191 HG21 ILE 29 1HG2 ILE 29 11.744 -12.506 -7.955
192 HG22 ILE 29 2HG2 ILE 29 12.058 -11.672 -6.434
193 HG23 ILE 29 3HG2 ILE 29 10.827 -12.932 -6.511
194 HD11 ILE 29 3HD1 ILE 29 7.818 -10.124 -6.267
195 HD12 ILE 29 1HD1 ILE 29 8.482 -11.497 -5.382
196 HD13 ILE 29 2HD1 ILE 29 8.506 -9.888 -4.661
197 H ARG 30 H ARG 30 10.597 -9.053 -10.840
198 HA ARG 30 HA ARG 30 9.024 -7.982 -12.085
199 HB2 ARG 30 2HB ARG 30 7.794 -10.173 -11.611
200 HB3 ARG 30 3HB ARG 30 6.920 -9.287 -10.369
201 HG2 ARG 30 2HG ARG 30 6.662 -7.663 -12.565
202 HG3 ARG 30 3HG ARG 30 6.584 -9.284 -13.258
203 HD2 ARG 30 2HD ARG 30 4.960 -8.477 -10.860
204 HD3 ARG 30 3HD ARG 30 4.388 -8.231 -12.510
205 HE ARG 30 HE ARG 30 5.227 -10.920 -12.048
206 HH11 ARG 30 1HH1 ARG 30 2.605 -8.676 -11.590
207 HH12 ARG 30 2HH1 ARG 30 1.388 -9.907 -11.538
208 HH21 ARG 30 1HH2 ARG 30 3.633 -12.550 -11.980
209 HH22 ARG 30 2HH2 ARG 30 1.974 -12.111 -11.759
210 H GLN 31 H GLN 31 10.119 -6.375 -10.315
211 HA GLN 31 HA GLN 31 9.859 -4.396 -9.225
212 HB2 GLN 31 2HB GLN 31 7.555 -4.639 -10.924
213 HB3 GLN 31 3HB GLN 31 7.097 -3.843 -9.424
214 HG2 GLN 31 2HG GLN 31 8.259 -1.982 -9.899
215 HG3 GLN 31 3HG GLN 31 9.581 -2.870 -10.653
216 HE21 GLN 31 1HE2 GLN 31 9.585 -3.182 -12.828
217 HE22 GLN 31 2HE2 GLN 31 8.419 -2.490 -13.898
218 H THR 32 H THR 32 10.142 -4.683 -7.105
219 HA THR 32 HA THR 32 7.811 -5.034 -5.422
220 HB THR 32 HB THR 32 10.122 -6.971 -5.192
221 HG1 THR 32 HG1 THR 32 8.777 -7.536 -6.927
222 HG21 THR 32 3HG2 THR 32 9.176 -6.446 -3.028
223 HG22 THR 32 1HG2 THR 32 8.667 -8.065 -3.507
224 HG23 THR 32 2HG2 THR 32 7.543 -6.711 -3.641
225 H CYS 33 H CYS 33 8.127 -4.343 -3.285
226 HA CYS 33 HA CYS 33 10.287 -2.459 -2.968
227 HB2 CYS 33 2HB CYS 33 7.686 -2.934 -1.763
228 HB3 CYS 33 3HB CYS 33 8.914 -2.609 -0.544
229 H HIS 34 H HIS 34 11.794 -2.441 -1.245
230 HA HIS 34 HA HIS 34 12.076 -4.720 0.482
231 HB2 HIS 34 2HB HIS 34 13.047 -5.360 -1.837
232 HB3 HIS 34 3HB HIS 34 14.367 -4.275 -1.412
233 HD1 HIS 34 HD1 HIS 34 12.633 -7.353 -0.012
234 HD2 HIS 34 HD2 HIS 34 16.324 -5.447 0.058
235 HE1 HIS 34 HE1 HIS 34 14.165 -8.900 1.247
236 H CYS 35 H CYS 35 13.183 -4.202 2.288
237 HA CYS 35 HA CYS 35 14.361 -1.517 2.392
238 HB2 CYS 35 2HB CYS 35 13.306 -3.351 4.546
239 HB3 CYS 35 3HB CYS 35 14.178 -1.862 4.896
240 H TYR 36 H TYR 36 16.443 -1.160 3.004
241 HA TYR 36 HA TYR 36 18.149 -3.542 3.225
242 HB2 TYR 36 2HB TYR 36 18.938 -0.704 2.536
243 HB3 TYR 36 3HB TYR 36 19.985 -2.118 2.489
244 HD1 TYR 36 HD1 TYR 36 17.012 -0.559 0.919
245 HD2 TYR 36 HD2 TYR 36 20.058 -3.511 0.583
246 HE1 TYR 36 HE1 TYR 36 16.372 -0.945 -1.425
247 HE2 TYR 36 HE2 TYR 36 19.427 -3.904 -1.761
248 HH TYR 36 HH TYR 36 16.772 -2.092 -3.278