Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505690 | 2ytm RC | 10176 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 6.418 -18.213 2.333
2 HA2 GLY 1 1HA GLY 1 8.343 -16.921 1.444
3 HA3 GLY 1 2HA GLY 1 6.818 -16.116 1.104
4 H SER 2 H SER 2 9.827 -15.920 2.696
5 HA SER 2 HA SER 2 9.004 -13.444 4.062
6 HB2 SER 2 1HB SER 2 10.067 -15.427 5.361
7 HB3 SER 2 2HB SER 2 11.578 -14.893 4.625
8 HG SER 2 HG SER 2 10.747 -12.716 5.504
9 H SER 3 H SER 3 11.778 -14.867 2.334
10 HA SER 3 HA SER 3 12.504 -12.156 1.443
11 HB2 SER 3 1HB SER 3 14.166 -13.570 2.808
12 HB3 SER 3 2HB SER 3 14.336 -14.548 1.350
13 HG SER 3 HG SER 3 14.687 -12.304 0.362
14 H GLY 4 H GLY 4 13.108 -11.821 -0.735
15 HA2 GLY 4 1HA GLY 4 13.326 -12.419 -3.000
16 HA3 GLY 4 2HA GLY 4 12.644 -13.995 -2.627
17 H SER 5 H SER 5 11.710 -10.557 -2.657
18 HA SER 5 HA SER 5 9.045 -11.396 -3.591
19 HB2 SER 5 1HB SER 5 9.106 -10.188 -1.404
20 HB3 SER 5 2HB SER 5 9.788 -8.792 -2.237
21 HG SER 5 HG SER 5 7.442 -9.879 -3.271
22 H SER 6 H SER 6 9.325 -11.397 -5.778
23 HA SER 6 HA SER 6 9.374 -8.851 -7.089
24 HB2 SER 6 1HB SER 6 11.841 -9.493 -6.668
25 HB3 SER 6 2HB SER 6 11.588 -10.721 -7.908
26 HG SER 6 HG SER 6 10.769 -8.126 -8.498
27 H GLY 7 H GLY 7 9.516 -9.294 -9.609
28 HA2 GLY 7 1HA GLY 7 8.966 -11.554 -10.934
29 HA3 GLY 7 2HA GLY 7 7.434 -11.253 -10.127
30 H THR 8 H THR 8 6.534 -11.105 -12.279
31 HA THR 8 HA THR 8 7.043 -8.480 -13.522
32 HB THR 8 HB THR 8 6.141 -11.009 -14.915
33 HG1 THR 8 HG1 THR 8 8.316 -10.415 -15.992
34 HG21 THR 8 3HG2 THR 8 6.691 -9.541 -16.959
35 HG22 THR 8 1HG2 THR 8 6.545 -8.182 -15.845
36 HG23 THR 8 2HG2 THR 8 5.169 -9.252 -16.116
37 H GLY 9 H GLY 9 5.417 -7.147 -13.066
38 HA2 GLY 9 1HA GLY 9 2.954 -7.012 -13.928
39 HA3 GLY 9 2HA GLY 9 2.722 -8.247 -12.699
40 H GLU 10 H GLU 10 1.184 -6.221 -12.274
41 HA GLU 10 HA GLU 10 2.552 -4.585 -10.241
42 HB2 GLU 10 1HB GLU 10 0.262 -3.809 -12.053
43 HB3 GLU 10 2HB GLU 10 0.819 -2.839 -10.696
44 HG2 GLU 10 1HG GLU 10 2.758 -3.657 -12.806
45 HG3 GLU 10 2HG GLU 10 1.639 -2.330 -13.114
46 H LYS 11 H LYS 11 1.561 -4.329 -8.273
47 HA LYS 11 HA LYS 11 -0.956 -5.802 -7.858
48 HB2 LYS 11 1HB LYS 11 1.592 -5.893 -6.272
49 HB3 LYS 11 2HB LYS 11 0.050 -6.249 -5.505
50 HG2 LYS 11 1HG LYS 11 0.748 -8.345 -6.103
51 HG3 LYS 11 2HG LYS 11 -0.235 -7.905 -7.502
52 HD2 LYS 11 1HD LYS 11 1.969 -7.026 -8.503
53 HD3 LYS 11 2HD LYS 11 2.754 -7.984 -7.245
54 HE2 LYS 11 1HE LYS 11 1.675 -9.994 -8.064
55 HE3 LYS 11 2HE LYS 11 0.790 -9.058 -9.267
56 HZ1 LYS 11 3HZ LYS 11 3.204 -8.360 -9.954
57 HZ2 LYS 11 1HZ LYS 11 2.525 -9.804 -10.514
58 HZ3 LYS 11 2HZ LYS 11 3.615 -9.828 -9.221
59 HA PRO 12 HA PRO 12 -1.472 -1.455 -6.390
60 HB2 PRO 12 1HB PRO 12 -4.016 -1.219 -7.306
61 HB3 PRO 12 2HB PRO 12 -2.599 -0.906 -8.315
62 HG2 PRO 12 1HG PRO 12 -4.314 -3.355 -8.166
63 HG3 PRO 12 2HG PRO 12 -3.655 -2.536 -9.594
64 HD2 PRO 12 1HD PRO 12 -2.538 -4.771 -8.550
65 HD3 PRO 12 2HD PRO 12 -1.579 -3.508 -9.347
66 H TYR 13 H TYR 13 -2.654 -4.468 -5.609
67 HA TYR 13 HA TYR 13 -4.690 -3.562 -3.745
68 HB2 TYR 13 1HB TYR 13 -3.703 -6.378 -3.769
69 HB3 TYR 13 2HB TYR 13 -5.340 -5.765 -3.559
70 HD1 TYR 13 HD1 TYR 13 -2.763 -6.689 -5.999
71 HD2 TYR 13 HD2 TYR 13 -6.747 -5.292 -5.471
72 HE1 TYR 13 HE1 TYR 13 -3.244 -7.185 -8.360
73 HE2 TYR 13 HE2 TYR 13 -7.239 -5.785 -7.830
74 HH TYR 13 HH TYR 13 -5.674 -5.969 -10.036
75 H LYS 14 H LYS 14 -1.570 -5.268 -3.588
76 HA LYS 14 HA LYS 14 -1.390 -4.516 -0.747
77 HB2 LYS 14 1HB LYS 14 -1.344 -6.967 -1.320
78 HB3 LYS 14 2HB LYS 14 0.170 -6.679 -2.167
79 HG2 LYS 14 1HG LYS 14 1.255 -6.028 -0.133
80 HG3 LYS 14 2HG LYS 14 -0.270 -6.092 0.752
81 HD2 LYS 14 1HD LYS 14 0.708 -8.114 1.312
82 HD3 LYS 14 2HD LYS 14 -0.330 -8.565 -0.043
83 HE2 LYS 14 1HE LYS 14 2.498 -7.752 -0.554
84 HE3 LYS 14 2HE LYS 14 2.155 -9.373 0.048
85 HZ1 LYS 14 3HZ LYS 14 0.374 -9.070 -1.971
86 HZ2 LYS 14 1HZ LYS 14 1.853 -9.886 -2.085
87 HZ3 LYS 14 2HZ LYS 14 1.739 -8.269 -2.569
88 H CYS 15 H CYS 15 0.393 -3.447 0.016
89 HA CYS 15 HA CYS 15 1.808 -1.789 -1.761
90 HB2 CYS 15 1HB CYS 15 1.405 -1.167 0.571
91 HB3 CYS 15 2HB CYS 15 2.428 -2.493 1.116
92 H MET 16 H MET 16 3.737 -1.968 -2.753
93 HA MET 16 HA MET 16 5.104 -4.546 -2.551
94 HB2 MET 16 1HB MET 16 5.368 -2.321 -4.580
95 HB3 MET 16 2HB MET 16 6.248 -3.842 -4.636
96 HG2 MET 16 1HG MET 16 4.141 -5.056 -4.847
97 HG3 MET 16 2HG MET 16 3.259 -3.532 -4.791
98 HE1 MET 16 3HE MET 16 5.186 -1.631 -7.234
99 HE2 MET 16 1HE MET 16 3.572 -1.843 -7.911
100 HE3 MET 16 2HE MET 16 3.778 -1.640 -6.172
101 H GLU 17 H GLU 17 5.605 -1.120 -2.040
102 HA GLU 17 HA GLU 17 8.297 -0.825 -1.909
103 HB2 GLU 17 1HB GLU 17 6.069 0.305 -0.279
104 HB3 GLU 17 2HB GLU 17 7.719 0.614 0.243
105 HG2 GLU 17 1HG GLU 17 6.395 1.421 -2.322
106 HG3 GLU 17 2HG GLU 17 7.112 2.449 -1.083
107 H CYS 18 H CYS 18 6.265 -2.101 0.721
108 HA CYS 18 HA CYS 18 8.700 -3.243 1.926
109 HB2 CYS 18 1HB CYS 18 7.505 -3.175 4.084
110 HB3 CYS 18 2HB CYS 18 7.675 -1.572 3.375
111 H GLY 19 H GLY 19 5.226 -3.796 1.409
112 HA2 GLY 19 1HA GLY 19 4.454 -5.885 0.495
113 HA3 GLY 19 2HA GLY 19 5.812 -6.680 1.278
114 H LYS 20 H LYS 20 2.813 -4.916 1.974
115 HA LYS 20 HA LYS 20 2.318 -6.774 4.181
116 HB2 LYS 20 1HB LYS 20 3.302 -4.808 5.230
117 HB3 LYS 20 2HB LYS 20 2.151 -3.764 4.406
118 HG2 LYS 20 1HG LYS 20 0.341 -4.598 5.686
119 HG3 LYS 20 2HG LYS 20 1.322 -5.914 6.336
120 HD2 LYS 20 1HD LYS 20 2.804 -4.064 7.316
121 HD3 LYS 20 2HD LYS 20 1.457 -2.979 6.964
122 HE2 LYS 20 1HE LYS 20 0.101 -3.930 8.546
123 HE3 LYS 20 2HE LYS 20 0.890 -5.503 8.433
124 HZ1 LYS 20 3HZ LYS 20 1.404 -3.371 10.232
125 HZ2 LYS 20 1HZ LYS 20 2.810 -3.769 9.378
126 HZ3 LYS 20 2HZ LYS 20 1.991 -4.957 10.260
127 H ALA 21 H ALA 21 0.292 -7.520 4.183
128 HA ALA 21 HA ALA 21 -1.583 -6.480 2.234
129 HB1 ALA 21 3HB ALA 21 -1.108 -9.001 3.488
130 HB2 ALA 21 1HB ALA 21 -2.788 -8.531 3.746
131 HB3 ALA 21 2HB ALA 21 -2.139 -8.623 2.108
132 H PHE 22 H PHE 22 -3.478 -5.450 2.652
133 HA PHE 22 HA PHE 22 -4.023 -4.779 5.469
134 HB2 PHE 22 1HB PHE 22 -4.474 -3.109 2.988
135 HB3 PHE 22 2HB PHE 22 -5.016 -2.661 4.602
136 HD1 PHE 22 HD1 PHE 22 -1.927 -3.613 2.753
137 HD2 PHE 22 HD2 PHE 22 -3.652 -1.358 5.924
138 HE1 PHE 22 HE1 PHE 22 0.255 -2.560 3.186
139 HE2 PHE 22 HE2 PHE 22 -1.474 -0.300 6.361
140 HZ PHE 22 HZ PHE 22 0.483 -0.900 4.991
141 H GLY 23 H GLY 23 -6.356 -4.119 5.838
142 HA2 GLY 23 1HA GLY 23 -8.057 -6.159 4.601
143 HA3 GLY 23 2HA GLY 23 -8.394 -5.300 6.096
144 H ASP 24 H ASP 24 -8.119 -2.681 5.328
145 HA ASP 24 HA ASP 24 -10.145 -2.383 3.209
146 HB2 ASP 24 1HB ASP 24 -10.890 -2.008 5.665
147 HB3 ASP 24 2HB ASP 24 -9.974 -0.507 5.551
148 H ASN 25 H ASN 25 -9.809 -0.820 1.712
149 HA ASN 25 HA ASN 25 -7.312 0.107 1.104
150 HB2 ASN 25 1HB ASN 25 -9.385 0.190 -0.349
151 HB3 ASN 25 2HB ASN 25 -9.826 1.669 0.500
152 HD21 ASN 25 1HD2 ASN 25 -7.051 0.230 -1.177
153 HD22 ASN 25 2HD2 ASN 25 -6.571 1.680 -1.985
154 H SER 26 H SER 26 -9.818 1.851 2.923
155 HA SER 26 HA SER 26 -8.826 4.290 3.331
156 HB2 SER 26 1HB SER 26 -9.912 2.423 5.446
157 HB3 SER 26 2HB SER 26 -9.621 4.139 5.731
158 HG SER 26 HG SER 26 -11.675 2.925 4.431
159 H SER 27 H SER 27 -7.694 1.452 5.161
160 HA SER 27 HA SER 27 -5.593 2.914 6.446
161 HB2 SER 27 1HB SER 27 -4.884 0.708 7.296
162 HB3 SER 27 2HB SER 27 -6.613 0.967 7.530
163 HG SER 27 HG SER 27 -6.926 -0.267 5.582
164 H CYS 28 H CYS 28 -5.876 0.903 3.593
165 HA CYS 28 HA CYS 28 -3.165 0.410 3.109
166 HB2 CYS 28 1HB CYS 28 -5.131 -0.639 1.924
167 HB3 CYS 28 2HB CYS 28 -5.275 0.846 0.993
168 HG CYS 28 HG CYS 28 -2.482 0.516 0.124
169 H THR 29 H THR 29 -5.233 2.941 1.679
170 HA THR 29 HA THR 29 -3.267 4.303 0.280
171 HB THR 29 HB THR 29 -5.837 4.680 0.329
172 HG1 THR 29 HG1 THR 29 -3.766 6.505 -0.122
173 HG21 THR 29 3HG2 THR 29 -6.503 6.659 1.646
174 HG22 THR 29 1HG2 THR 29 -4.923 6.649 2.429
175 HG23 THR 29 2HG2 THR 29 -6.035 5.301 2.670
176 H GLN 30 H GLN 30 -4.288 4.695 3.649
177 HA GLN 30 HA GLN 30 -2.741 6.946 4.262
178 HB2 GLN 30 1HB GLN 30 -3.809 4.690 5.943
179 HB3 GLN 30 2HB GLN 30 -2.866 5.997 6.647
180 HG2 GLN 30 1HG GLN 30 -5.571 6.098 5.381
181 HG3 GLN 30 2HG GLN 30 -5.065 6.651 6.976
182 HE21 GLN 30 1HE2 GLN 30 -6.391 7.936 4.565
183 HE22 GLN 30 2HE2 GLN 30 -5.488 9.388 4.320
184 H HIS 31 H HIS 31 -1.990 3.489 4.542
185 HA HIS 31 HA HIS 31 0.411 3.494 5.802
186 HB2 HIS 31 1HB HIS 31 -0.560 1.425 5.059
187 HB3 HIS 31 2HB HIS 31 -0.402 1.897 3.369
188 HD1 HIS 31 HD1 HIS 31 1.850 1.149 6.339
189 HD2 HIS 31 HD2 HIS 31 1.860 0.983 2.188
190 HE1 HIS 31 HE1 HIS 31 4.023 0.047 5.716
191 H GLN 32 H GLN 32 -0.052 4.082 2.322
192 HA GLN 32 HA GLN 32 2.522 4.406 1.487
193 HB2 GLN 32 1HB GLN 32 0.045 5.940 0.716
194 HB3 GLN 32 2HB GLN 32 1.585 6.170 -0.101
195 HG2 GLN 32 1HG GLN 32 1.608 3.875 -0.814
196 HG3 GLN 32 2HG GLN 32 0.152 3.534 0.119
197 HE21 GLN 32 1HE2 GLN 32 -0.176 2.783 -2.283
198 HE22 GLN 32 2HE2 GLN 32 -1.052 3.905 -3.261
199 H ARG 33 H ARG 33 0.579 6.694 3.322
200 HA ARG 33 HA ARG 33 2.014 9.008 3.139
201 HB2 ARG 33 1HB ARG 33 -0.045 8.752 4.471
202 HB3 ARG 33 2HB ARG 33 0.856 7.844 5.678
203 HG2 ARG 33 1HG ARG 33 2.290 9.865 6.006
204 HG3 ARG 33 2HG ARG 33 1.178 10.744 4.955
205 HD2 ARG 33 1HD ARG 33 -0.660 9.943 6.546
206 HD3 ARG 33 2HD ARG 33 0.652 9.529 7.649
207 HE ARG 33 HE ARG 33 0.732 12.235 6.654
208 HH11 ARG 33 1HH1 ARG 33 -0.449 10.102 9.138
209 HH12 ARG 33 2HH1 ARG 33 -0.658 11.365 10.306
210 HH21 ARG 33 1HH2 ARG 33 0.461 13.907 8.182
211 HH22 ARG 33 2HH2 ARG 33 -0.141 13.529 9.760
212 H LEU 34 H LEU 34 2.584 6.538 5.655
213 HA LEU 34 HA LEU 34 4.876 7.600 6.753
214 HB2 LEU 34 1HB LEU 34 5.200 5.570 7.792
215 HB3 LEU 34 2HB LEU 34 3.479 5.528 7.414
216 HG LEU 34 HG LEU 34 4.282 4.242 5.280
217 HD11 LEU 34 1HD1 LEU 34 6.733 4.714 6.285
218 HD12 LEU 34 2HD1 LEU 34 6.344 3.335 5.257
219 HD13 LEU 34 3HD1 LEU 34 6.398 3.141 7.009
220 HD21 LEU 34 3HD2 LEU 34 2.835 3.275 6.941
221 HD22 LEU 34 1HD2 LEU 34 4.190 3.047 8.047
222 HD23 LEU 34 2HD2 LEU 34 4.108 2.119 6.549
223 H HIS 35 H HIS 35 4.549 5.556 3.894
224 HA HIS 35 HA HIS 35 7.288 5.102 3.443
225 HB2 HIS 35 1HB HIS 35 4.806 4.925 1.813
226 HB3 HIS 35 2HB HIS 35 6.338 4.968 0.947
227 HD1 HIS 35 HD1 HIS 35 7.831 3.274 3.264
228 HD2 HIS 35 HD2 HIS 35 4.383 2.235 1.191
229 HE1 HIS 35 HE1 HIS 35 7.688 0.767 3.410
230 H THR 36 H THR 36 5.116 7.671 2.353
231 HA THR 36 HA THR 36 6.558 9.004 0.496
232 HB THR 36 HB THR 36 5.252 10.456 2.799
233 HG1 THR 36 HG1 THR 36 3.433 10.311 1.093
234 HG21 THR 36 3HG2 THR 36 6.586 11.448 0.626
235 HG22 THR 36 1HG2 THR 36 5.334 12.306 1.523
236 HG23 THR 36 2HG2 THR 36 4.918 11.423 0.054
237 H GLY 37 H GLY 37 7.029 9.284 4.013
238 HA2 GLY 37 1HA GLY 37 8.997 11.212 4.088
239 HA3 GLY 37 2HA GLY 37 8.889 9.877 5.226
240 H GLN 38 H GLN 38 11.340 10.831 4.689
241 HA GLN 38 HA GLN 38 12.763 9.883 2.531
242 HB2 GLN 38 1HB GLN 38 13.576 10.242 5.411
243 HB3 GLN 38 2HB GLN 38 14.723 9.773 4.163
244 HG2 GLN 38 1HG GLN 38 14.568 11.815 3.073
245 HG3 GLN 38 2HG GLN 38 13.033 12.217 3.840
246 HE21 GLN 38 1HE2 GLN 38 15.891 13.392 3.685
247 HE22 GLN 38 2HE2 GLN 38 16.205 13.855 5.320
248 H ARG 39 H ARG 39 12.373 8.225 5.667
249 HA ARG 39 HA ARG 39 12.461 6.027 6.246
250 HB2 ARG 39 1HB ARG 39 11.631 5.789 3.359
251 HB3 ARG 39 2HB ARG 39 11.838 4.378 4.389
252 HG2 ARG 39 1HG ARG 39 10.077 6.611 5.286
253 HG3 ARG 39 2HG ARG 39 9.490 5.451 4.093
254 HD2 ARG 39 1HD ARG 39 10.572 4.786 6.829
255 HD3 ARG 39 2HD ARG 39 8.871 4.793 6.365
256 HE ARG 39 HE ARG 39 10.285 3.079 4.647
257 HH11 ARG 39 1HH1 ARG 39 9.240 3.293 7.961
258 HH12 ARG 39 2HH1 ARG 39 9.141 1.577 8.177
259 HH21 ARG 39 1HH2 ARG 39 10.158 0.818 4.919
260 HH22 ARG 39 2HH2 ARG 39 9.665 0.170 6.447
261 HA PRO 40 HA PRO 40 16.717 5.831 4.192
262 HB2 PRO 40 1HB PRO 40 18.161 6.578 6.365
263 HB3 PRO 40 2HB PRO 40 17.537 7.734 5.183
264 HG2 PRO 40 1HG PRO 40 16.429 6.975 7.859
265 HG3 PRO 40 2HG PRO 40 16.579 8.583 7.126
266 HD2 PRO 40 1HD PRO 40 14.246 7.209 7.158
267 HD3 PRO 40 2HD PRO 40 14.688 8.310 5.837
268 H SER 41 H SER 41 17.816 3.958 4.264
269 HA SER 41 HA SER 41 17.019 1.739 5.629
270 HB2 SER 41 1HB SER 41 19.875 2.350 4.829
271 HB3 SER 41 2HB SER 41 19.195 0.748 5.113
272 HG SER 41 HG SER 41 18.113 0.854 3.259
273 H GLY 42 H GLY 42 19.901 3.646 6.542
274 HA2 GLY 42 1HA GLY 42 19.548 4.176 9.125
275 HA3 GLY 42 2HA GLY 42 19.840 2.444 9.197
276 HA PRO 43 HA PRO 43 23.826 5.109 8.848
277 HB2 PRO 43 1HB PRO 43 24.403 5.495 11.472
278 HB3 PRO 43 2HB PRO 43 23.461 6.645 10.517
279 HG2 PRO 43 1HG PRO 43 22.513 4.542 12.425
280 HG3 PRO 43 2HG PRO 43 21.954 6.214 12.235
281 HD2 PRO 43 1HD PRO 43 20.617 4.104 11.190
282 HD3 PRO 43 2HD PRO 43 20.637 5.700 10.414
283 H SER 44 H SER 44 25.978 4.474 9.818
284 HA SER 44 HA SER 44 26.080 1.578 9.991
285 HB2 SER 44 1HB SER 44 28.477 1.826 9.691
286 HB3 SER 44 2HB SER 44 27.641 2.839 8.515
287 HG SER 44 HG SER 44 28.301 4.001 10.957
288 H SER 45 H SER 45 27.050 0.414 11.672
289 HA SER 45 HA SER 45 26.394 0.983 14.235
290 HB2 SER 45 1HB SER 45 27.312 -1.191 13.456
291 HB3 SER 45 2HB SER 45 28.923 -0.473 13.425
292 HG SER 45 HG SER 45 27.471 -0.240 15.788
293 H GLY 46 H GLY 46 27.441 1.825 16.077
294 HA2 GLY 46 1HA GLY 46 29.658 2.810 16.839
295 HA3 GLY 46 2HA GLY 46 29.500 3.836 15.421
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -4.643 -27.589 -9.417
2 HA2 GLY 1 1HA GLY 1 -7.053 -27.090 -8.295
3 HA3 GLY 1 2HA GLY 1 -5.946 -26.307 -7.177
4 H SER 2 H SER 2 -7.381 -26.220 -10.335
5 HA SER 2 HA SER 2 -5.862 -23.909 -11.184
6 HB2 SER 2 1HB SER 2 -7.438 -23.976 -13.155
7 HB3 SER 2 2HB SER 2 -6.495 -25.447 -12.913
8 HG SER 2 HG SER 2 -9.212 -25.036 -12.722
9 H SER 3 H SER 3 -6.282 -22.131 -9.994
10 HA SER 3 HA SER 3 -8.897 -20.930 -10.250
11 HB2 SER 3 1HB SER 3 -9.049 -22.362 -8.185
12 HB3 SER 3 2HB SER 3 -7.775 -21.370 -7.475
13 HG SER 3 HG SER 3 -9.402 -19.599 -8.223
14 H GLY 4 H GLY 4 -8.498 -18.913 -10.849
15 HA2 GLY 4 1HA GLY 4 -7.685 -16.722 -10.093
16 HA3 GLY 4 2HA GLY 4 -6.193 -17.526 -9.625
17 H SER 5 H SER 5 -5.753 -15.432 -11.094
18 HA SER 5 HA SER 5 -5.723 -16.150 -13.919
19 HB2 SER 5 1HB SER 5 -4.906 -13.618 -12.477
20 HB3 SER 5 2HB SER 5 -4.813 -13.839 -14.224
21 HG SER 5 HG SER 5 -7.170 -14.424 -13.945
22 H SER 6 H SER 6 -3.715 -15.845 -15.170
23 HA SER 6 HA SER 6 -1.510 -17.154 -13.811
24 HB2 SER 6 1HB SER 6 -2.242 -16.625 -16.661
25 HB3 SER 6 2HB SER 6 -0.552 -16.941 -16.269
26 HG SER 6 HG SER 6 -1.509 -18.840 -15.081
27 H GLY 7 H GLY 7 -2.137 -14.116 -15.526
28 HA2 GLY 7 1HA GLY 7 0.394 -13.019 -15.561
29 HA3 GLY 7 2HA GLY 7 -1.082 -12.079 -15.393
30 H THR 8 H THR 8 -1.833 -11.544 -13.294
31 HA THR 8 HA THR 8 -1.326 -10.509 -11.293
32 HB THR 8 HB THR 8 -0.934 -12.126 -9.489
33 HG1 THR 8 HG1 THR 8 0.487 -13.428 -11.105
34 HG21 THR 8 3HG2 THR 8 -2.954 -13.270 -9.691
35 HG22 THR 8 1HG2 THR 8 -2.770 -13.488 -11.431
36 HG23 THR 8 2HG2 THR 8 -3.169 -11.898 -10.778
37 H GLY 9 H GLY 9 0.826 -10.196 -13.104
38 HA2 GLY 9 1HA GLY 9 3.321 -10.914 -11.969
39 HA3 GLY 9 2HA GLY 9 3.059 -9.657 -13.168
40 H GLU 10 H GLU 10 2.360 -7.541 -12.396
41 HA GLU 10 HA GLU 10 3.886 -6.732 -10.124
42 HB2 GLU 10 1HB GLU 10 2.126 -5.348 -12.107
43 HB3 GLU 10 2HB GLU 10 2.577 -4.504 -10.632
44 HG2 GLU 10 1HG GLU 10 4.845 -4.511 -11.178
45 HG3 GLU 10 2HG GLU 10 4.640 -5.769 -12.395
46 H LYS 11 H LYS 11 3.139 -5.776 -8.196
47 HA LYS 11 HA LYS 11 0.436 -6.646 -7.419
48 HB2 LYS 11 1HB LYS 11 2.986 -6.334 -5.852
49 HB3 LYS 11 2HB LYS 11 1.422 -6.393 -5.050
50 HG2 LYS 11 1HG LYS 11 1.000 -8.594 -5.992
51 HG3 LYS 11 2HG LYS 11 2.543 -8.534 -6.847
52 HD2 LYS 11 1HD LYS 11 3.727 -8.417 -4.712
53 HD3 LYS 11 2HD LYS 11 2.186 -8.456 -3.850
54 HE2 LYS 11 1HE LYS 11 2.928 -10.665 -3.765
55 HE3 LYS 11 2HE LYS 11 1.774 -10.661 -5.097
56 HZ1 LYS 11 3HZ LYS 11 3.390 -11.000 -6.621
57 HZ2 LYS 11 1HZ LYS 11 4.177 -11.715 -5.305
58 HZ3 LYS 11 2HZ LYS 11 4.563 -10.133 -5.763
59 HA PRO 12 HA PRO 12 0.263 -2.025 -7.481
60 HB2 PRO 12 1HB PRO 12 -2.248 -1.914 -8.507
61 HB3 PRO 12 2HB PRO 12 -0.803 -2.050 -9.516
62 HG2 PRO 12 1HG PRO 12 -2.709 -4.185 -8.640
63 HG3 PRO 12 2HG PRO 12 -1.976 -3.925 -10.233
64 HD2 PRO 12 1HD PRO 12 -1.048 -5.776 -8.488
65 HD3 PRO 12 2HD PRO 12 0.014 -4.913 -9.619
66 H TYR 13 H TYR 13 -2.260 -4.359 -6.571
67 HA TYR 13 HA TYR 13 -3.676 -2.648 -4.840
68 HB2 TYR 13 1HB TYR 13 -4.549 -4.817 -3.862
69 HB3 TYR 13 2HB TYR 13 -4.776 -4.617 -5.596
70 HD1 TYR 13 HD2 TYR 13 -3.535 -5.984 -7.180
71 HD2 TYR 13 HD1 TYR 13 -3.002 -6.472 -2.987
72 HE1 TYR 13 HE2 TYR 13 -2.406 -8.132 -7.579
73 HE2 TYR 13 HE1 TYR 13 -1.871 -8.621 -3.375
74 HH TYR 13 HH TYR 13 -0.735 -9.823 -5.077
75 H LYS 14 H LYS 14 -0.937 -4.797 -4.335
76 HA LYS 14 HA LYS 14 -0.878 -4.132 -1.487
77 HB2 LYS 14 1HB LYS 14 0.323 -6.260 -3.183
78 HB3 LYS 14 2HB LYS 14 1.220 -5.768 -1.753
79 HG2 LYS 14 1HG LYS 14 -1.669 -6.380 -1.445
80 HG3 LYS 14 2HG LYS 14 -0.548 -7.723 -1.687
81 HD2 LYS 14 1HD LYS 14 0.104 -5.635 0.342
82 HD3 LYS 14 2HD LYS 14 -1.109 -6.858 0.729
83 HE2 LYS 14 1HE LYS 14 0.838 -7.835 1.503
84 HE3 LYS 14 2HE LYS 14 0.684 -8.535 -0.108
85 HZ1 LYS 14 3HZ LYS 14 2.150 -6.069 -0.091
86 HZ2 LYS 14 1HZ LYS 14 2.557 -7.563 -0.773
87 HZ3 LYS 14 2HZ LYS 14 2.876 -7.264 0.861
88 H CYS 15 H CYS 15 1.322 -3.666 -0.548
89 HA CYS 15 HA CYS 15 2.452 -1.419 -1.944
90 HB2 CYS 15 1HB CYS 15 2.069 -1.641 0.589
91 HB3 CYS 15 2HB CYS 15 3.530 -2.623 0.598
92 H MET 16 H MET 16 4.110 -1.473 -3.301
93 HA MET 16 HA MET 16 5.674 -3.911 -3.556
94 HB2 MET 16 1HB MET 16 6.517 -2.940 -5.615
95 HB3 MET 16 2HB MET 16 4.764 -2.809 -5.571
96 HG2 MET 16 1HG MET 16 5.037 -0.458 -4.784
97 HG3 MET 16 2HG MET 16 6.768 -0.628 -5.064
98 HE1 MET 16 3HE MET 16 3.501 0.688 -7.114
99 HE2 MET 16 1HE MET 16 4.652 1.357 -5.957
100 HE3 MET 16 2HE MET 16 4.849 1.676 -7.681
101 H GLU 17 H GLU 17 5.896 -1.544 -1.473
102 HA GLU 17 HA GLU 17 8.781 -1.084 -1.772
103 HB2 GLU 17 1HB GLU 17 6.800 0.296 0.047
104 HB3 GLU 17 2HB GLU 17 8.496 0.720 -0.142
105 HG2 GLU 17 1HG GLU 17 8.173 1.710 -2.167
106 HG3 GLU 17 2HG GLU 17 6.790 0.693 -2.568
107 H CYS 18 H CYS 18 6.360 -2.009 0.661
108 HA CYS 18 HA CYS 18 8.513 -3.346 2.166
109 HB2 CYS 18 1HB CYS 18 7.213 -2.995 4.192
110 HB3 CYS 18 2HB CYS 18 7.487 -1.455 3.384
111 H GLY 19 H GLY 19 5.068 -3.524 1.307
112 HA2 GLY 19 1HA GLY 19 4.007 -5.473 0.495
113 HA3 GLY 19 2HA GLY 19 5.320 -6.435 1.157
114 H LYS 20 H LYS 20 2.752 -4.241 2.301
115 HA LYS 20 HA LYS 20 2.308 -6.108 4.538
116 HB2 LYS 20 1HB LYS 20 2.168 -3.115 4.384
117 HB3 LYS 20 2HB LYS 20 1.223 -3.981 5.588
118 HG2 LYS 20 1HG LYS 20 3.353 -5.048 6.360
119 HG3 LYS 20 2HG LYS 20 4.215 -3.947 5.283
120 HD2 LYS 20 1HD LYS 20 4.274 -2.835 7.323
121 HD3 LYS 20 2HD LYS 20 2.896 -2.090 6.508
122 HE2 LYS 20 1HE LYS 20 2.156 -2.527 8.695
123 HE3 LYS 20 2HE LYS 20 1.458 -3.810 7.707
124 HZ1 LYS 20 3HZ LYS 20 4.035 -4.489 8.766
125 HZ2 LYS 20 1HZ LYS 20 2.583 -5.356 8.819
126 HZ3 LYS 20 2HZ LYS 20 2.900 -4.167 9.978
127 H ALA 21 H ALA 21 0.117 -6.382 5.261
128 HA ALA 21 HA ALA 21 -1.827 -6.003 3.083
129 HB1 ALA 21 3HB ALA 21 -1.918 -8.244 3.322
130 HB2 ALA 21 1HB ALA 21 -1.313 -8.201 4.978
131 HB3 ALA 21 2HB ALA 21 -3.009 -7.846 4.649
132 H PHE 22 H PHE 22 -4.003 -5.451 3.622
133 HA PHE 22 HA PHE 22 -4.574 -4.525 6.308
134 HB2 PHE 22 1HB PHE 22 -4.823 -2.547 4.047
135 HB3 PHE 22 2HB PHE 22 -4.953 -2.246 5.777
136 HD1 PHE 22 HD2 PHE 22 -2.976 -2.068 7.163
137 HD2 PHE 22 HD1 PHE 22 -2.675 -2.766 2.975
138 HE1 PHE 22 HE2 PHE 22 -0.591 -1.470 7.238
139 HE2 PHE 22 HE1 PHE 22 -0.288 -2.171 3.044
140 HZ PHE 22 HZ PHE 22 0.756 -1.521 5.177
141 H GLY 23 H GLY 23 -6.612 -5.022 6.776
142 HA2 GLY 23 1HA GLY 23 -8.388 -5.920 4.682
143 HA3 GLY 23 2HA GLY 23 -8.706 -5.955 6.410
144 H ASP 24 H ASP 24 -7.776 -3.136 4.503
145 HA ASP 24 HA ASP 24 -10.446 -2.109 4.329
146 HB2 ASP 24 1HB ASP 24 -8.567 -0.620 6.165
147 HB3 ASP 24 2HB ASP 24 -10.265 -0.275 5.850
148 H ASN 25 H ASN 25 -10.353 -1.312 2.338
149 HA ASN 25 HA ASN 25 -8.151 -0.593 0.879
150 HB2 ASN 25 1HB ASN 25 -10.847 0.756 0.641
151 HB3 ASN 25 2HB ASN 25 -9.639 0.568 -0.627
152 HD21 ASN 25 1HD2 ASN 25 -9.512 -1.317 -1.742
153 HD22 ASN 25 2HD2 ASN 25 -10.621 -2.626 -1.542
154 H SER 26 H SER 26 -10.284 1.671 2.625
155 HA SER 26 HA SER 26 -9.025 4.038 2.143
156 HB2 SER 26 1HB SER 26 -11.093 3.747 3.513
157 HB3 SER 26 2HB SER 26 -10.084 3.206 4.855
158 HG SER 26 HG SER 26 -10.700 5.527 4.752
159 H SER 27 H SER 27 -8.228 1.810 4.808
160 HA SER 27 HA SER 27 -6.031 3.273 5.774
161 HB2 SER 27 1HB SER 27 -6.838 0.381 6.017
162 HB3 SER 27 2HB SER 27 -5.354 0.988 6.752
163 HG SER 27 HG SER 27 -7.718 2.398 7.218
164 H CYS 28 H CYS 28 -6.132 0.421 3.642
165 HA CYS 28 HA CYS 28 -3.570 -0.146 3.159
166 HB2 CYS 28 1HB CYS 28 -5.389 -1.218 1.939
167 HB3 CYS 28 2HB CYS 28 -5.670 0.256 1.020
168 HG CYS 28 HG CYS 28 -4.335 -0.774 -0.934
169 H THR 29 H THR 29 -5.249 2.665 1.812
170 HA THR 29 HA THR 29 -2.985 3.603 0.343
171 HB THR 29 HB THR 29 -5.413 5.185 1.203
172 HG1 THR 29 HG1 THR 29 -6.362 3.752 -0.063
173 HG21 THR 29 3HG2 THR 29 -4.856 6.733 -0.461
174 HG22 THR 29 1HG2 THR 29 -3.741 5.621 -1.254
175 HG23 THR 29 2HG2 THR 29 -3.306 6.354 0.290
176 H GLN 30 H GLN 30 -4.516 4.577 3.401
177 HA GLN 30 HA GLN 30 -2.902 6.729 4.043
178 HB2 GLN 30 1HB GLN 30 -4.968 5.609 5.264
179 HB3 GLN 30 2HB GLN 30 -3.701 4.849 6.218
180 HG2 GLN 30 1HG GLN 30 -3.997 7.818 5.830
181 HG3 GLN 30 2HG GLN 30 -4.603 6.919 7.220
182 HE21 GLN 30 1HE2 GLN 30 -2.441 9.028 6.710
183 HE22 GLN 30 2HE2 GLN 30 -1.071 8.411 7.563
184 H HIS 31 H HIS 31 -2.181 3.338 4.114
185 HA HIS 31 HA HIS 31 -0.019 3.318 5.892
186 HB2 HIS 31 1HB HIS 31 -0.679 1.184 5.333
187 HB3 HIS 31 2HB HIS 31 -0.909 1.585 3.634
188 HD1 HIS 31 HD1 HIS 31 1.683 0.472 6.078
189 HD2 HIS 31 HD2 HIS 31 1.375 1.335 2.026
190 HE1 HIS 31 HE1 HIS 31 3.802 -0.402 5.042
191 H GLN 32 H GLN 32 -0.326 4.880 2.933
192 HA GLN 32 HA GLN 32 2.289 4.653 1.898
193 HB2 GLN 32 1HB GLN 32 1.725 6.456 0.457
194 HB3 GLN 32 2HB GLN 32 0.253 5.521 0.682
195 HG2 GLN 32 1HG GLN 32 -0.429 7.166 2.431
196 HG3 GLN 32 2HG GLN 32 0.966 8.140 1.973
197 HE21 GLN 32 1HE2 GLN 32 1.092 8.680 -0.383
198 HE22 GLN 32 2HE2 GLN 32 -0.385 9.094 -1.177
199 H ARG 33 H ARG 33 0.917 6.573 4.442
200 HA ARG 33 HA ARG 33 2.596 8.718 4.659
201 HB2 ARG 33 1HB ARG 33 2.097 8.777 6.994
202 HB3 ARG 33 2HB ARG 33 0.673 8.152 6.173
203 HG2 ARG 33 1HG ARG 33 0.903 6.063 7.060
204 HG3 ARG 33 2HG ARG 33 2.654 6.206 7.225
205 HD2 ARG 33 1HD ARG 33 2.058 6.384 9.418
206 HD3 ARG 33 2HD ARG 33 1.974 8.084 8.957
207 HE ARG 33 HE ARG 33 -0.534 6.926 8.518
208 HH11 ARG 33 1HH1 ARG 33 1.584 7.745 11.158
209 HH12 ARG 33 2HH1 ARG 33 0.294 7.986 12.289
210 HH21 ARG 33 1HH2 ARG 33 -2.241 7.240 9.999
211 HH22 ARG 33 2HH2 ARG 33 -1.881 7.698 11.629
212 H LEU 34 H LEU 34 3.414 5.403 4.975
213 HA LEU 34 HA LEU 34 5.779 5.759 6.548
214 HB2 LEU 34 1HB LEU 34 4.590 3.524 4.967
215 HB3 LEU 34 2HB LEU 34 6.267 3.414 5.498
216 HG LEU 34 HG LEU 34 3.961 3.861 7.384
217 HD11 LEU 34 1HD1 LEU 34 3.906 1.546 7.839
218 HD12 LEU 34 2HD1 LEU 34 5.344 1.243 6.864
219 HD13 LEU 34 3HD1 LEU 34 3.829 1.699 6.084
220 HD21 LEU 34 3HD2 LEU 34 5.487 3.413 9.102
221 HD22 LEU 34 1HD2 LEU 34 6.362 4.480 8.004
222 HD23 LEU 34 2HD2 LEU 34 6.682 2.746 7.988
223 H HIS 35 H HIS 35 5.155 5.215 3.090
224 HA HIS 35 HA HIS 35 7.926 6.034 2.532
225 HB2 HIS 35 1HB HIS 35 6.206 4.798 0.430
226 HB3 HIS 35 2HB HIS 35 7.945 4.666 0.677
227 HD1 HIS 35 HD1 HIS 35 8.781 2.820 2.261
228 HD2 HIS 35 HD2 HIS 35 4.648 2.953 1.865
229 HE1 HIS 35 HE1 HIS 35 7.939 0.683 3.284
230 H THR 36 H THR 36 5.324 7.628 2.970
231 HA THR 36 HA THR 36 4.691 8.877 0.505
232 HB THR 36 HB THR 36 3.242 8.906 2.565
233 HG1 THR 36 HG1 THR 36 2.376 10.844 1.965
234 HG21 THR 36 3HG2 THR 36 4.865 9.475 4.248
235 HG22 THR 36 1HG2 THR 36 3.671 10.770 4.166
236 HG23 THR 36 2HG2 THR 36 5.257 10.984 3.423
237 H GLY 37 H GLY 37 7.339 9.191 2.640
238 HA2 GLY 37 1HA GLY 37 9.298 10.394 2.215
239 HA3 GLY 37 2HA GLY 37 8.440 11.314 0.987
240 H GLN 38 H GLN 38 7.538 10.829 4.375
241 HA GLN 38 HA GLN 38 7.749 13.743 4.744
242 HB2 GLN 38 1HB GLN 38 5.819 11.726 5.862
243 HB3 GLN 38 2HB GLN 38 6.055 13.290 6.630
244 HG2 GLN 38 1HG GLN 38 5.353 13.052 3.727
245 HG3 GLN 38 2HG GLN 38 4.122 13.044 4.989
246 HE21 GLN 38 1HE2 GLN 38 3.171 14.948 5.005
247 HE22 GLN 38 2HE2 GLN 38 3.963 16.482 4.947
248 H ARG 39 H ARG 39 9.856 13.790 5.504
249 HA ARG 39 HA ARG 39 10.179 12.818 8.243
250 HB2 ARG 39 1HB ARG 39 12.106 12.267 5.984
251 HB3 ARG 39 2HB ARG 39 12.520 12.084 7.683
252 HG2 ARG 39 1HG ARG 39 11.248 10.209 7.938
253 HG3 ARG 39 2HG ARG 39 10.111 10.675 6.670
254 HD2 ARG 39 1HD ARG 39 11.225 8.987 5.604
255 HD3 ARG 39 2HD ARG 39 12.224 10.360 5.130
256 HE ARG 39 HE ARG 39 13.086 9.043 7.543
257 HH11 ARG 39 1HH1 ARG 39 13.310 9.136 4.070
258 HH12 ARG 39 2HH1 ARG 39 14.849 8.343 4.018
259 HH21 ARG 39 1HH2 ARG 39 15.112 7.998 7.488
260 HH22 ARG 39 2HH2 ARG 39 15.873 7.696 5.963
261 HA PRO 40 HA PRO 40 11.973 16.761 8.957
262 HB2 PRO 40 1HB PRO 40 13.691 16.189 10.980
263 HB3 PRO 40 2HB PRO 40 11.937 16.235 11.194
264 HG2 PRO 40 1HG PRO 40 13.736 13.875 10.802
265 HG3 PRO 40 2HG PRO 40 12.378 14.072 11.924
266 HD2 PRO 40 1HD PRO 40 12.155 12.716 9.591
267 HD3 PRO 40 2HD PRO 40 10.806 13.629 10.298
268 H SER 41 H SER 41 13.622 14.324 7.477
269 HA SER 41 HA SER 41 16.294 14.776 7.598
270 HB2 SER 41 1HB SER 41 14.583 14.237 5.168
271 HB3 SER 41 2HB SER 41 16.345 14.228 5.117
272 HG SER 41 HG SER 41 15.984 12.694 7.038
273 H GLY 42 H GLY 42 17.295 16.681 7.736
274 HA2 GLY 42 1HA GLY 42 17.042 18.546 5.515
275 HA3 GLY 42 2HA GLY 42 16.584 19.170 7.093
276 HA PRO 43 HA PRO 43 21.077 20.049 6.540
277 HB2 PRO 43 1HB PRO 43 20.948 22.536 7.620
278 HB3 PRO 43 2HB PRO 43 20.613 22.211 5.915
279 HG2 PRO 43 1HG PRO 43 18.696 22.593 8.183
280 HG3 PRO 43 2HG PRO 43 18.618 23.235 6.532
281 HD2 PRO 43 1HD PRO 43 17.188 21.077 7.324
282 HD3 PRO 43 2HD PRO 43 17.800 21.262 5.668
283 H SER 44 H SER 44 19.006 19.403 9.036
284 HA SER 44 HA SER 44 21.208 19.438 10.980
285 HB2 SER 44 1HB SER 44 19.886 21.306 11.649
286 HB3 SER 44 2HB SER 44 18.383 20.413 11.419
287 HG SER 44 HG SER 44 18.749 19.292 13.244
288 H SER 45 H SER 45 20.990 17.878 12.702
289 HA SER 45 HA SER 45 19.782 15.423 11.754
290 HB2 SER 45 1HB SER 45 21.466 15.994 14.205
291 HB3 SER 45 2HB SER 45 20.944 14.390 13.688
292 HG SER 45 HG SER 45 22.331 16.051 11.897
293 H GLY 46 H GLY 46 17.613 15.405 12.041
294 HA2 GLY 46 1HA GLY 46 15.608 15.237 13.145
295 HA3 GLY 46 2HA GLY 46 16.547 14.901 14.593
Start of MODEL 3
1 H1 GLY 1 H GLY 1 12.322 -25.176 -2.325
2 HA2 GLY 1 1HA GLY 1 11.053 -26.891 -1.379
3 HA3 GLY 1 2HA GLY 1 11.811 -26.231 0.063
4 H SER 2 H SER 2 9.215 -24.980 -2.023
5 HA SER 2 HA SER 2 7.558 -24.689 0.390
6 HB2 SER 2 1HB SER 2 7.300 -23.274 -2.275
7 HB3 SER 2 2HB SER 2 6.332 -22.961 -0.835
8 HG SER 2 HG SER 2 8.028 -22.025 0.126
9 H SER 3 H SER 3 5.544 -25.563 0.506
10 HA SER 3 HA SER 3 4.952 -27.813 -1.078
11 HB2 SER 3 1HB SER 3 3.067 -26.243 0.697
12 HB3 SER 3 2HB SER 3 2.840 -27.902 0.144
13 HG SER 3 HG SER 3 5.113 -28.052 1.233
14 H GLY 4 H GLY 4 3.496 -24.565 -1.002
15 HA2 GLY 4 1HA GLY 4 3.066 -23.618 -3.277
16 HA3 GLY 4 2HA GLY 4 2.306 -25.160 -3.642
17 H SER 5 H SER 5 0.262 -24.457 -4.055
18 HA SER 5 HA SER 5 -1.283 -23.599 -1.742
19 HB2 SER 5 1HB SER 5 -1.405 -22.064 -4.347
20 HB3 SER 5 2HB SER 5 -2.315 -21.722 -2.876
21 HG SER 5 HG SER 5 0.057 -21.672 -2.013
22 H SER 6 H SER 6 -3.339 -24.367 -1.740
23 HA SER 6 HA SER 6 -4.100 -26.586 -3.064
24 HB2 SER 6 1HB SER 6 -5.904 -24.314 -2.200
25 HB3 SER 6 2HB SER 6 -6.474 -25.924 -2.637
26 HG SER 6 HG SER 6 -4.917 -26.641 -0.940
27 H GLY 7 H GLY 7 -4.785 -23.270 -4.157
28 HA2 GLY 7 1HA GLY 7 -4.627 -24.061 -6.910
29 HA3 GLY 7 2HA GLY 7 -6.280 -23.749 -6.401
30 H THR 8 H THR 8 -6.990 -21.687 -6.247
31 HA THR 8 HA THR 8 -5.140 -19.608 -7.140
32 HB THR 8 HB THR 8 -7.132 -18.239 -7.541
33 HG1 THR 8 HG1 THR 8 -8.527 -20.501 -6.506
34 HG21 THR 8 3HG2 THR 8 -8.271 -20.393 -8.934
35 HG22 THR 8 1HG2 THR 8 -6.548 -20.746 -8.826
36 HG23 THR 8 2HG2 THR 8 -7.094 -19.228 -9.538
37 H GLY 9 H GLY 9 -4.304 -18.165 -5.782
38 HA2 GLY 9 1HA GLY 9 -5.766 -17.024 -3.619
39 HA3 GLY 9 2HA GLY 9 -4.608 -18.210 -3.035
40 H GLU 10 H GLU 10 -4.719 -15.477 -5.326
41 HA GLU 10 HA GLU 10 -2.033 -14.718 -4.389
42 HB2 GLU 10 1HB GLU 10 -1.839 -13.467 -6.518
43 HB3 GLU 10 2HB GLU 10 -2.076 -15.192 -6.760
44 HG2 GLU 10 1HG GLU 10 -4.563 -14.609 -7.009
45 HG3 GLU 10 2HG GLU 10 -4.004 -12.950 -7.215
46 H LYS 11 H LYS 11 -1.572 -12.422 -4.205
47 HA LYS 11 HA LYS 11 -3.962 -10.815 -3.583
48 HB2 LYS 11 1HB LYS 11 -1.362 -10.942 -2.045
49 HB3 LYS 11 2HB LYS 11 -2.639 -9.770 -1.745
50 HG2 LYS 11 1HG LYS 11 -4.148 -11.481 -1.053
51 HG3 LYS 11 2HG LYS 11 -3.030 -12.747 -1.565
52 HD2 LYS 11 1HD LYS 11 -1.442 -12.073 0.140
53 HD3 LYS 11 2HD LYS 11 -2.487 -10.732 0.616
54 HE2 LYS 11 1HE LYS 11 -2.958 -12.365 2.202
55 HE3 LYS 11 2HE LYS 11 -4.263 -12.551 1.032
56 HZ1 LYS 11 3HZ LYS 11 -2.868 -14.594 1.903
57 HZ2 LYS 11 1HZ LYS 11 -1.854 -14.150 0.623
58 HZ3 LYS 11 2HZ LYS 11 -3.473 -14.538 0.324
59 HA PRO 12 HA PRO 12 -1.415 -8.565 -6.708
60 HB2 PRO 12 1HB PRO 12 -3.552 -7.643 -8.104
61 HB3 PRO 12 2HB PRO 12 -2.833 -9.232 -8.388
62 HG2 PRO 12 1HG PRO 12 -5.266 -8.511 -6.799
63 HG3 PRO 12 2HG PRO 12 -5.026 -9.856 -7.930
64 HD2 PRO 12 1HD PRO 12 -4.891 -10.169 -5.244
65 HD3 PRO 12 2HD PRO 12 -3.914 -11.136 -6.368
66 H TYR 13 H TYR 13 -3.327 -7.805 -4.139
67 HA TYR 13 HA TYR 13 -3.115 -4.908 -4.637
68 HB2 TYR 13 1HB TYR 13 -4.880 -4.825 -2.732
69 HB3 TYR 13 2HB TYR 13 -5.398 -5.280 -4.351
70 HD1 TYR 13 HD1 TYR 13 -3.843 -7.136 -1.497
71 HD2 TYR 13 HD2 TYR 13 -7.046 -6.885 -4.286
72 HE1 TYR 13 HE1 TYR 13 -4.778 -9.228 -0.602
73 HE2 TYR 13 HE2 TYR 13 -7.990 -8.976 -3.399
74 HH TYR 13 HH TYR 13 -7.492 -10.206 -0.668
75 H LYS 14 H LYS 14 -0.887 -6.299 -3.763
76 HA LYS 14 HA LYS 14 -0.723 -5.710 -0.890
77 HB2 LYS 14 1HB LYS 14 0.689 -7.596 -2.706
78 HB3 LYS 14 2HB LYS 14 1.607 -6.933 -1.360
79 HG2 LYS 14 1HG LYS 14 -1.080 -8.090 -0.822
80 HG3 LYS 14 2HG LYS 14 0.276 -9.179 -1.125
81 HD2 LYS 14 1HD LYS 14 0.669 -6.955 0.810
82 HD3 LYS 14 2HD LYS 14 -0.317 -8.329 1.314
83 HE2 LYS 14 1HE LYS 14 1.777 -9.008 1.983
84 HE3 LYS 14 2HE LYS 14 1.678 -9.731 0.378
85 HZ1 LYS 14 3HZ LYS 14 3.682 -8.142 1.255
86 HZ2 LYS 14 1HZ LYS 14 2.733 -7.056 0.370
87 HZ3 LYS 14 2HZ LYS 14 3.329 -8.455 -0.370
88 H CYS 15 H CYS 15 1.452 -4.857 -0.162
89 HA CYS 15 HA CYS 15 2.007 -2.444 -1.631
90 HB2 CYS 15 1HB CYS 15 1.901 -2.589 0.882
91 HB3 CYS 15 2HB CYS 15 3.418 -3.481 0.832
92 H MET 16 H MET 16 3.750 -1.969 -2.855
93 HA MET 16 HA MET 16 5.540 -4.172 -3.523
94 HB2 MET 16 1HB MET 16 4.482 -2.988 -5.371
95 HB3 MET 16 2HB MET 16 5.149 -1.462 -4.806
96 HG2 MET 16 1HG MET 16 7.005 -3.699 -5.443
97 HG3 MET 16 2HG MET 16 6.269 -2.788 -6.761
98 HE1 MET 16 3HE MET 16 5.894 -0.286 -6.335
99 HE2 MET 16 1HE MET 16 7.074 0.810 -5.615
100 HE3 MET 16 2HE MET 16 7.359 0.140 -7.221
101 H GLU 17 H GLU 17 5.589 -0.987 -2.066
102 HA GLU 17 HA GLU 17 8.330 -0.479 -2.103
103 HB2 GLU 17 1HB GLU 17 6.820 1.257 -1.445
104 HB3 GLU 17 2HB GLU 17 6.199 0.294 -0.112
105 HG2 GLU 17 1HG GLU 17 7.623 1.932 0.819
106 HG3 GLU 17 2HG GLU 17 8.481 0.395 0.908
107 H CYS 18 H CYS 18 6.458 -1.779 0.645
108 HA CYS 18 HA CYS 18 8.906 -3.167 1.522
109 HB2 CYS 18 1HB CYS 18 8.075 -3.000 3.808
110 HB3 CYS 18 2HB CYS 18 8.160 -1.400 3.077
111 H GLY 19 H GLY 19 5.358 -3.388 1.440
112 HA2 GLY 19 1HA GLY 19 4.313 -5.393 0.584
113 HA3 GLY 19 2HA GLY 19 5.655 -6.315 1.246
114 H LYS 20 H LYS 20 2.597 -4.832 1.891
115 HA LYS 20 HA LYS 20 2.405 -6.345 4.371
116 HB2 LYS 20 1HB LYS 20 3.202 -4.216 5.177
117 HB3 LYS 20 2HB LYS 20 2.007 -3.354 4.216
118 HG2 LYS 20 1HG LYS 20 0.244 -4.549 5.581
119 HG3 LYS 20 2HG LYS 20 1.554 -5.050 6.652
120 HD2 LYS 20 1HD LYS 20 2.150 -2.548 6.746
121 HD3 LYS 20 2HD LYS 20 0.534 -2.285 6.087
122 HE2 LYS 20 1HE LYS 20 -0.511 -3.119 7.980
123 HE3 LYS 20 2HE LYS 20 0.911 -4.027 8.488
124 HZ1 LYS 20 3HZ LYS 20 0.285 -1.874 9.727
125 HZ2 LYS 20 1HZ LYS 20 0.991 -1.084 8.408
126 HZ3 LYS 20 2HZ LYS 20 1.910 -2.151 9.345
127 H ALA 21 H ALA 21 0.297 -6.870 4.960
128 HA ALA 21 HA ALA 21 -1.622 -6.742 2.802
129 HB1 ALA 21 3HB ALA 21 -2.667 -7.894 5.226
130 HB2 ALA 21 1HB ALA 21 -2.370 -8.650 3.660
131 HB3 ALA 21 2HB ALA 21 -1.074 -8.553 4.853
132 H PHE 22 H PHE 22 -3.941 -6.241 3.319
133 HA PHE 22 HA PHE 22 -4.425 -4.362 5.456
134 HB2 PHE 22 1HB PHE 22 -4.695 -3.409 2.599
135 HB3 PHE 22 2HB PHE 22 -5.016 -2.479 4.059
136 HD1 PHE 22 HD2 PHE 22 -3.183 -1.661 5.441
137 HD2 PHE 22 HD1 PHE 22 -2.460 -3.771 1.816
138 HE1 PHE 22 HE2 PHE 22 -0.854 -0.867 5.448
139 HE2 PHE 22 HE1 PHE 22 -0.129 -2.981 1.817
140 HZ PHE 22 HZ PHE 22 0.676 -1.526 3.634
141 H GLY 23 H GLY 23 -6.559 -4.240 5.995
142 HA2 GLY 23 1HA GLY 23 -8.327 -6.113 4.646
143 HA3 GLY 23 2HA GLY 23 -8.642 -5.289 6.166
144 H ASP 24 H ASP 24 -8.328 -2.653 5.460
145 HA ASP 24 HA ASP 24 -10.542 -2.291 3.554
146 HB2 ASP 24 1HB ASP 24 -10.718 -1.577 6.058
147 HB3 ASP 24 2HB ASP 24 -9.726 -0.211 5.556
148 H ASN 25 H ASN 25 -10.504 0.038 2.600
149 HA ASN 25 HA ASN 25 -8.018 0.269 1.154
150 HB2 ASN 25 1HB ASN 25 -10.384 2.126 0.936
151 HB3 ASN 25 2HB ASN 25 -9.162 1.773 -0.282
152 HD21 ASN 25 1HD2 ASN 25 -12.135 1.549 -0.253
153 HD22 ASN 25 2HD2 ASN 25 -12.460 -0.072 -0.755
154 H SER 26 H SER 26 -9.876 2.239 3.435
155 HA SER 26 HA SER 26 -8.510 4.592 3.443
156 HB2 SER 26 1HB SER 26 -9.121 4.838 5.803
157 HB3 SER 26 2HB SER 26 -10.450 4.119 4.894
158 HG SER 26 HG SER 26 -9.395 3.168 7.052
159 H SER 27 H SER 27 -7.588 1.657 5.224
160 HA SER 27 HA SER 27 -5.251 2.724 6.383
161 HB2 SER 27 1HB SER 27 -4.606 0.311 6.692
162 HB3 SER 27 2HB SER 27 -6.209 0.719 7.305
163 HG SER 27 HG SER 27 -5.570 -0.597 4.875
164 H CYS 28 H CYS 28 -5.876 1.164 3.301
165 HA CYS 28 HA CYS 28 -3.231 0.672 2.520
166 HB2 CYS 28 1HB CYS 28 -5.327 -0.175 1.394
167 HB3 CYS 28 2HB CYS 28 -5.501 1.421 0.673
168 HG CYS 28 HG CYS 28 -4.408 0.314 -1.433
169 H THR 29 H THR 29 -5.274 3.533 2.141
170 HA THR 29 HA THR 29 -3.335 4.995 0.629
171 HB THR 29 HB THR 29 -5.746 6.026 2.136
172 HG1 THR 29 HG1 THR 29 -6.427 6.068 -0.264
173 HG21 THR 29 3HG2 THR 29 -4.108 7.778 1.613
174 HG22 THR 29 1HG2 THR 29 -5.579 7.965 0.659
175 HG23 THR 29 2HG2 THR 29 -4.129 7.288 -0.081
176 H GLN 30 H GLN 30 -3.961 4.492 3.996
177 HA GLN 30 HA GLN 30 -2.514 6.800 4.909
178 HB2 GLN 30 1HB GLN 30 -4.064 6.150 6.486
179 HB3 GLN 30 2HB GLN 30 -3.803 4.436 6.193
180 HG2 GLN 30 1HG GLN 30 -2.979 4.944 8.362
181 HG3 GLN 30 2HG GLN 30 -1.593 4.647 7.313
182 HE21 GLN 30 1HE2 GLN 30 -3.655 7.360 8.313
183 HE22 GLN 30 2HE2 GLN 30 -2.361 8.480 8.544
184 H HIS 31 H HIS 31 -1.822 3.378 4.433
185 HA HIS 31 HA HIS 31 0.685 3.305 5.700
186 HB2 HIS 31 1HB HIS 31 -0.532 1.272 5.088
187 HB3 HIS 31 2HB HIS 31 -0.338 1.654 3.380
188 HD1 HIS 31 HD1 HIS 31 1.852 0.904 6.395
189 HD2 HIS 31 HD2 HIS 31 1.864 0.543 2.256
190 HE1 HIS 31 HE1 HIS 31 3.951 -0.363 5.837
191 H GLN 32 H GLN 32 -0.072 3.599 2.225
192 HA GLN 32 HA GLN 32 2.475 3.936 1.247
193 HB2 GLN 32 1HB GLN 32 1.496 4.989 -0.674
194 HB3 GLN 32 2HB GLN 32 0.388 3.743 -0.113
195 HG2 GLN 32 1HG GLN 32 -1.043 5.379 0.888
196 HG3 GLN 32 2HG GLN 32 0.114 6.664 0.547
197 HE21 GLN 32 1HE2 GLN 32 0.720 6.766 -1.862
198 HE22 GLN 32 2HE2 GLN 32 -0.607 6.700 -2.965
199 H ARG 33 H ARG 33 0.629 6.105 3.178
200 HA ARG 33 HA ARG 33 2.168 8.450 2.487
201 HB2 ARG 33 1HB ARG 33 -0.049 7.849 4.407
202 HB3 ARG 33 2HB ARG 33 0.901 9.314 4.617
203 HG2 ARG 33 1HG ARG 33 0.348 9.614 2.052
204 HG3 ARG 33 2HG ARG 33 -1.021 8.585 2.480
205 HD2 ARG 33 1HD ARG 33 -0.270 11.215 3.749
206 HD3 ARG 33 2HD ARG 33 -1.646 10.911 2.690
207 HE ARG 33 HE ARG 33 -1.418 10.237 5.494
208 HH11 ARG 33 1HH1 ARG 33 -3.121 9.725 2.501
209 HH12 ARG 33 2HH1 ARG 33 -4.561 9.145 3.269
210 HH21 ARG 33 1HH2 ARG 33 -3.309 9.474 6.517
211 HH22 ARG 33 2HH2 ARG 33 -4.667 9.003 5.553
212 H LEU 34 H LEU 34 2.151 5.998 4.984
213 HA LEU 34 HA LEU 34 3.916 7.340 6.768
214 HB2 LEU 34 1HB LEU 34 3.049 4.483 6.461
215 HB3 LEU 34 2HB LEU 34 4.248 4.964 7.660
216 HG LEU 34 HG LEU 34 1.468 6.118 7.552
217 HD11 LEU 34 1HD1 LEU 34 1.546 4.488 9.744
218 HD12 LEU 34 2HD1 LEU 34 2.402 3.532 8.535
219 HD13 LEU 34 3HD1 LEU 34 0.765 4.102 8.211
220 HD21 LEU 34 3HD2 LEU 34 1.982 7.227 9.458
221 HD22 LEU 34 1HD2 LEU 34 3.612 7.120 8.794
222 HD23 LEU 34 2HD2 LEU 34 3.085 5.972 10.024
223 H HIS 35 H HIS 35 4.370 5.695 3.819
224 HA HIS 35 HA HIS 35 6.992 4.700 4.217
225 HB2 HIS 35 1HB HIS 35 5.233 5.217 1.874
226 HB3 HIS 35 2HB HIS 35 6.960 5.059 1.567
227 HD1 HIS 35 HD1 HIS 35 7.296 2.835 3.890
228 HD2 HIS 35 HD2 HIS 35 4.662 2.759 0.678
229 HE1 HIS 35 HE1 HIS 35 6.747 0.408 3.528
230 H THR 36 H THR 36 5.735 7.756 2.953
231 HA THR 36 HA THR 36 8.467 8.797 2.746
232 HB THR 36 HB THR 36 7.045 9.159 0.792
233 HG1 THR 36 HG1 THR 36 7.225 11.713 1.951
234 HG21 THR 36 3HG2 THR 36 4.982 9.446 2.516
235 HG22 THR 36 1HG2 THR 36 4.945 9.998 0.842
236 HG23 THR 36 2HG2 THR 36 5.320 11.135 2.138
237 H GLY 37 H GLY 37 5.440 9.261 4.463
238 HA2 GLY 37 1HA GLY 37 5.779 11.711 5.651
239 HA3 GLY 37 2HA GLY 37 5.010 10.346 6.446
240 H GLN 38 H GLN 38 6.290 8.963 7.774
241 HA GLN 38 HA GLN 38 7.956 8.444 9.245
242 HB2 GLN 38 1HB GLN 38 9.383 9.168 7.139
243 HB3 GLN 38 2HB GLN 38 9.776 10.546 8.158
244 HG2 GLN 38 1HG GLN 38 11.381 8.603 8.222
245 HG3 GLN 38 2HG GLN 38 10.801 9.194 9.778
246 HE21 GLN 38 1HE2 GLN 38 9.872 7.803 11.130
247 HE22 GLN 38 2HE2 GLN 38 9.442 6.174 10.747
248 H ARG 39 H ARG 39 5.967 10.256 9.941
249 HA ARG 39 HA ARG 39 7.422 12.125 11.695
250 HB2 ARG 39 1HB ARG 39 4.707 12.405 10.404
251 HB3 ARG 39 2HB ARG 39 5.272 13.454 11.697
252 HG2 ARG 39 1HG ARG 39 7.324 13.770 10.066
253 HG3 ARG 39 2HG ARG 39 6.123 13.308 8.859
254 HD2 ARG 39 1HD ARG 39 4.760 15.146 9.346
255 HD3 ARG 39 2HD ARG 39 5.552 15.435 10.894
256 HE ARG 39 HE ARG 39 7.243 15.753 8.571
257 HH11 ARG 39 1HH1 ARG 39 5.103 17.291 10.846
258 HH12 ARG 39 2HH1 ARG 39 5.741 18.879 10.571
259 HH21 ARG 39 1HH2 ARG 39 8.090 17.838 8.200
260 HH22 ARG 39 2HH2 ARG 39 7.439 19.189 9.065
261 HA PRO 40 HA PRO 40 5.361 9.021 14.418
262 HB2 PRO 40 1HB PRO 40 7.397 8.924 16.210
263 HB3 PRO 40 2HB PRO 40 7.362 7.940 14.742
264 HG2 PRO 40 1HG PRO 40 8.813 10.505 15.269
265 HG3 PRO 40 2HG PRO 40 9.385 9.045 14.441
266 HD2 PRO 40 1HD PRO 40 8.544 11.244 13.103
267 HD3 PRO 40 2HD PRO 40 8.333 9.600 12.467
268 H SER 41 H SER 41 3.960 9.697 15.908
269 HA SER 41 HA SER 41 4.467 12.252 17.261
270 HB2 SER 41 1HB SER 41 2.366 12.035 15.949
271 HB3 SER 41 2HB SER 41 1.869 10.717 17.009
272 HG SER 41 HG SER 41 1.880 13.436 17.452
273 H GLY 42 H GLY 42 5.909 11.334 18.819
274 HA2 GLY 42 1HA GLY 42 6.167 10.831 21.083
275 HA3 GLY 42 2HA GLY 42 4.490 10.309 21.133
276 HA PRO 43 HA PRO 43 6.928 6.563 19.304
277 HB2 PRO 43 1HB PRO 43 9.633 6.779 19.207
278 HB3 PRO 43 2HB PRO 43 8.581 7.277 17.877
279 HG2 PRO 43 1HG PRO 43 9.872 8.949 19.998
280 HG3 PRO 43 2HG PRO 43 9.719 9.268 18.260
281 HD2 PRO 43 1HD PRO 43 8.094 10.410 20.100
282 HD3 PRO 43 2HD PRO 43 7.546 10.009 18.460
283 H SER 44 H SER 44 8.027 8.452 21.980
284 HA SER 44 HA SER 44 9.606 6.723 23.420
285 HB2 SER 44 1HB SER 44 8.742 7.863 25.454
286 HB3 SER 44 2HB SER 44 9.173 8.996 24.173
287 HG SER 44 HG SER 44 6.547 8.054 24.701
288 H SER 45 H SER 45 6.081 6.774 23.183
289 HA SER 45 HA SER 45 5.997 4.246 24.692
290 HB2 SER 45 1HB SER 45 3.954 6.438 24.345
291 HB3 SER 45 2HB SER 45 3.510 4.834 24.926
292 HG SER 45 HG SER 45 5.165 5.172 26.575
293 H GLY 46 H GLY 46 6.760 4.169 22.022
294 HA2 GLY 46 1HA GLY 46 4.933 2.282 20.977
295 HA3 GLY 46 2HA GLY 46 4.720 3.819 20.150
Start of MODEL 4
1 H1 GLY 1 H GLY 1 2.293 9.075 -13.307
2 HA2 GLY 1 1HA GLY 1 0.464 6.994 -14.201
3 HA3 GLY 1 2HA GLY 1 0.508 8.449 -15.185
4 H SER 2 H SER 2 2.104 5.520 -14.344
5 HA SER 2 HA SER 2 4.316 6.177 -16.175
6 HB2 SER 2 1HB SER 2 4.726 5.470 -13.690
7 HB3 SER 2 2HB SER 2 4.393 3.845 -14.288
8 HG SER 2 HG SER 2 6.657 4.562 -14.326
9 H SER 3 H SER 3 3.302 5.627 -18.094
10 HA SER 3 HA SER 3 2.405 2.840 -18.366
11 HB2 SER 3 1HB SER 3 1.246 3.586 -20.404
12 HB3 SER 3 2HB SER 3 0.747 4.538 -19.006
13 HG SER 3 HG SER 3 2.895 5.490 -20.502
14 H GLY 4 H GLY 4 3.134 1.561 -20.101
15 HA2 GLY 4 1HA GLY 4 4.677 2.056 -22.228
16 HA3 GLY 4 2HA GLY 4 5.849 2.193 -20.925
17 H SER 5 H SER 5 6.871 0.400 -20.322
18 HA SER 5 HA SER 5 5.650 -2.191 -21.019
19 HB2 SER 5 1HB SER 5 7.585 -1.588 -22.484
20 HB3 SER 5 2HB SER 5 8.610 -1.553 -21.049
21 HG SER 5 HG SER 5 8.347 -3.598 -22.429
22 H SER 6 H SER 6 5.214 -1.004 -18.557
23 HA SER 6 HA SER 6 6.710 -2.816 -16.792
24 HB2 SER 6 1HB SER 6 7.612 -0.531 -16.523
25 HB3 SER 6 2HB SER 6 5.994 0.052 -16.135
26 HG SER 6 HG SER 6 7.802 -1.138 -14.531
27 H GLY 7 H GLY 7 5.488 -3.949 -15.393
28 HA2 GLY 7 1HA GLY 7 3.406 -3.548 -13.889
29 HA3 GLY 7 2HA GLY 7 2.597 -3.435 -15.445
30 H THR 8 H THR 8 4.674 -5.594 -13.535
31 HA THR 8 HA THR 8 3.230 -7.869 -14.732
32 HB THR 8 HB THR 8 6.111 -7.842 -13.811
33 HG1 THR 8 HG1 THR 8 6.625 -7.775 -15.940
34 HG21 THR 8 3HG2 THR 8 4.226 -9.986 -14.535
35 HG22 THR 8 1HG2 THR 8 5.682 -10.044 -13.543
36 HG23 THR 8 2HG2 THR 8 5.811 -10.084 -15.301
37 H GLY 9 H GLY 9 1.815 -8.506 -13.217
38 HA2 GLY 9 1HA GLY 9 1.834 -10.028 -11.224
39 HA3 GLY 9 2HA GLY 9 2.813 -8.792 -10.450
40 H GLU 10 H GLU 10 0.487 -9.694 -9.280
41 HA GLU 10 HA GLU 10 -1.359 -7.432 -9.677
42 HB2 GLU 10 1HB GLU 10 -3.111 -8.897 -8.698
43 HB3 GLU 10 2HB GLU 10 -2.458 -9.511 -10.211
44 HG2 GLU 10 1HG GLU 10 -0.922 -10.947 -8.785
45 HG3 GLU 10 2HG GLU 10 -1.957 -10.506 -7.428
46 H LYS 11 H LYS 11 -1.059 -5.948 -8.157
47 HA LYS 11 HA LYS 11 -0.829 -6.833 -5.365
48 HB2 LYS 11 1HB LYS 11 0.850 -4.723 -6.727
49 HB3 LYS 11 2HB LYS 11 0.761 -4.922 -4.982
50 HG2 LYS 11 1HG LYS 11 2.658 -6.104 -5.462
51 HG3 LYS 11 2HG LYS 11 1.446 -7.385 -5.524
52 HD2 LYS 11 1HD LYS 11 1.387 -7.313 -7.911
53 HD3 LYS 11 2HD LYS 11 2.375 -5.851 -7.947
54 HE2 LYS 11 1HE LYS 11 4.104 -7.346 -6.679
55 HE3 LYS 11 2HE LYS 11 3.170 -8.672 -7.370
56 HZ1 LYS 11 3HZ LYS 11 4.905 -6.738 -8.687
57 HZ2 LYS 11 1HZ LYS 11 3.506 -7.189 -9.526
58 HZ3 LYS 11 2HZ LYS 11 4.625 -8.366 -9.052
59 HA PRO 12 HA PRO 12 -4.129 -3.581 -6.114
60 HB2 PRO 12 1HB PRO 12 -6.189 -5.041 -5.119
61 HB3 PRO 12 2HB PRO 12 -5.699 -5.104 -6.816
62 HG2 PRO 12 1HG PRO 12 -5.053 -6.994 -4.586
63 HG3 PRO 12 2HG PRO 12 -5.520 -7.354 -6.259
64 HD2 PRO 12 1HD PRO 12 -2.949 -7.443 -5.413
65 HD3 PRO 12 2HD PRO 12 -3.395 -6.975 -7.067
66 H TYR 13 H TYR 13 -3.865 -5.878 -3.401
67 HA TYR 13 HA TYR 13 -4.135 -3.591 -1.561
68 HB2 TYR 13 1HB TYR 13 -5.325 -4.951 -0.011
69 HB3 TYR 13 2HB TYR 13 -6.080 -5.212 -1.579
70 HD1 TYR 13 HD2 TYR 13 -5.795 -7.340 -2.758
71 HD2 TYR 13 HD1 TYR 13 -4.123 -6.720 1.105
72 HE1 TYR 13 HE2 TYR 13 -5.470 -9.766 -2.516
73 HE2 TYR 13 HE1 TYR 13 -3.792 -9.145 1.357
74 HH TYR 13 HH TYR 13 -4.550 -11.386 -1.278
75 H LYS 14 H LYS 14 -1.742 -4.883 -2.770
76 HA LYS 14 HA LYS 14 -0.377 -5.560 -0.251
77 HB2 LYS 14 1HB LYS 14 -0.727 -7.571 -1.689
78 HB3 LYS 14 2HB LYS 14 0.221 -6.788 -2.948
79 HG2 LYS 14 1HG LYS 14 1.709 -8.241 -1.884
80 HG3 LYS 14 2HG LYS 14 2.092 -6.646 -1.230
81 HD2 LYS 14 1HD LYS 14 1.216 -7.137 0.839
82 HD3 LYS 14 2HD LYS 14 0.106 -8.351 0.200
83 HE2 LYS 14 1HE LYS 14 1.821 -9.462 1.460
84 HE3 LYS 14 2HE LYS 14 2.058 -9.818 -0.250
85 HZ1 LYS 14 3HZ LYS 14 4.163 -9.316 0.693
86 HZ2 LYS 14 1HZ LYS 14 3.589 -7.893 1.408
87 HZ3 LYS 14 2HZ LYS 14 3.730 -7.997 -0.274
88 H CYS 15 H CYS 15 0.911 -3.899 0.199
89 HA CYS 15 HA CYS 15 1.785 -1.925 -1.524
90 HB2 CYS 15 1HB CYS 15 1.952 -1.524 0.809
91 HB3 CYS 15 2HB CYS 15 2.945 -2.956 1.061
92 H MET 16 H MET 16 3.666 -1.538 -2.678
93 HA MET 16 HA MET 16 5.110 -3.947 -3.487
94 HB2 MET 16 1HB MET 16 4.111 -2.540 -5.244
95 HB3 MET 16 2HB MET 16 5.091 -1.181 -4.710
96 HG2 MET 16 1HG MET 16 7.037 -2.077 -5.549
97 HG3 MET 16 2HG MET 16 6.417 -3.726 -5.511
98 HE1 MET 16 3HE MET 16 6.845 -0.469 -7.541
99 HE2 MET 16 1HE MET 16 7.944 -1.812 -7.857
100 HE3 MET 16 2HE MET 16 6.839 -1.262 -9.117
101 H GLU 17 H GLU 17 5.634 -0.783 -2.050
102 HA GLU 17 HA GLU 17 8.385 -0.583 -2.165
103 HB2 GLU 17 1HB GLU 17 7.090 1.242 -1.312
104 HB3 GLU 17 2HB GLU 17 6.467 0.261 0.007
105 HG2 GLU 17 1HG GLU 17 8.059 1.522 1.070
106 HG3 GLU 17 2HG GLU 17 8.960 0.055 0.691
107 H CYS 18 H CYS 18 6.618 -1.763 0.702
108 HA CYS 18 HA CYS 18 8.954 -3.438 1.334
109 HB2 CYS 18 1HB CYS 18 8.243 -3.358 3.655
110 HB3 CYS 18 2HB CYS 18 8.369 -1.720 3.022
111 H GLY 19 H GLY 19 5.400 -3.410 1.361
112 HA2 GLY 19 1HA GLY 19 4.174 -5.269 0.440
113 HA3 GLY 19 2HA GLY 19 5.479 -6.327 0.953
114 H LYS 20 H LYS 20 2.444 -5.071 1.723
115 HA LYS 20 HA LYS 20 2.422 -6.556 4.218
116 HB2 LYS 20 1HB LYS 20 3.060 -4.024 4.555
117 HB3 LYS 20 2HB LYS 20 1.332 -3.773 4.340
118 HG2 LYS 20 1HG LYS 20 0.842 -5.194 6.219
119 HG3 LYS 20 2HG LYS 20 2.548 -5.613 6.390
120 HD2 LYS 20 1HD LYS 20 2.373 -3.973 7.980
121 HD3 LYS 20 2HD LYS 20 2.824 -2.999 6.578
122 HE2 LYS 20 1HE LYS 20 0.580 -2.310 6.227
123 HE3 LYS 20 2HE LYS 20 -0.035 -3.502 7.372
124 HZ1 LYS 20 3HZ LYS 20 1.566 -2.142 8.966
125 HZ2 LYS 20 1HZ LYS 20 -0.047 -1.699 8.710
126 HZ3 LYS 20 2HZ LYS 20 1.191 -0.907 7.872
127 H ALA 21 H ALA 21 0.232 -6.833 5.078
128 HA ALA 21 HA ALA 21 -1.750 -6.785 2.906
129 HB1 ALA 21 3HB ALA 21 -2.254 -8.873 3.462
130 HB2 ALA 21 1HB ALA 21 -0.926 -8.843 4.623
131 HB3 ALA 21 2HB ALA 21 -2.556 -8.402 5.135
132 H PHE 22 H PHE 22 -3.797 -5.967 3.227
133 HA PHE 22 HA PHE 22 -4.327 -4.664 5.808
134 HB2 PHE 22 1HB PHE 22 -5.003 -3.383 3.162
135 HB3 PHE 22 2HB PHE 22 -5.056 -2.653 4.763
136 HD1 PHE 22 HD1 PHE 22 -2.869 -3.763 2.036
137 HD2 PHE 22 HD2 PHE 22 -3.081 -1.794 5.803
138 HE1 PHE 22 HE1 PHE 22 -0.578 -2.922 1.721
139 HE2 PHE 22 HE2 PHE 22 -0.791 -0.949 5.495
140 HZ PHE 22 HZ PHE 22 0.463 -1.512 3.452
141 H GLY 23 H GLY 23 -6.729 -3.794 5.731
142 HA2 GLY 23 1HA GLY 23 -8.374 -6.032 4.722
143 HA3 GLY 23 2HA GLY 23 -8.708 -5.161 6.212
144 H ASP 24 H ASP 24 -8.353 -2.538 5.313
145 HA ASP 24 HA ASP 24 -10.445 -2.279 3.256
146 HB2 ASP 24 1HB ASP 24 -11.337 -1.850 5.543
147 HB3 ASP 24 2HB ASP 24 -10.172 -0.540 5.715
148 H ASN 25 H ASN 25 -10.038 -0.872 1.656
149 HA ASN 25 HA ASN 25 -7.574 0.048 1.000
150 HB2 ASN 25 1HB ASN 25 -8.823 1.886 -0.308
151 HB3 ASN 25 2HB ASN 25 -9.213 0.208 -0.674
152 HD21 ASN 25 1HD2 ASN 25 -10.435 3.206 0.147
153 HD22 ASN 25 2HD2 ASN 25 -12.046 2.731 0.551
154 H SER 26 H SER 26 -9.957 1.721 3.000
155 HA SER 26 HA SER 26 -9.070 4.221 3.284
156 HB2 SER 26 1HB SER 26 -10.850 3.067 4.675
157 HB3 SER 26 2HB SER 26 -9.550 2.511 5.729
158 HG SER 26 HG SER 26 -10.791 4.830 5.798
159 H SER 27 H SER 27 -7.603 1.486 5.035
160 HA SER 27 HA SER 27 -5.466 3.056 6.082
161 HB2 SER 27 1HB SER 27 -4.536 0.916 6.838
162 HB3 SER 27 2HB SER 27 -6.260 1.004 7.198
163 HG SER 27 HG SER 27 -6.623 -0.253 5.309
164 H CYS 28 H CYS 28 -5.798 0.838 3.350
165 HA CYS 28 HA CYS 28 -3.297 0.422 2.473
166 HB2 CYS 28 1HB CYS 28 -5.327 -0.271 1.248
167 HB3 CYS 28 2HB CYS 28 -5.555 1.387 0.705
168 HG CYS 28 HG CYS 28 -4.119 1.177 -1.406
169 H THR 29 H THR 29 -5.104 3.428 1.867
170 HA THR 29 HA THR 29 -3.040 4.763 0.500
171 HB THR 29 HB THR 29 -4.293 6.870 1.247
172 HG1 THR 29 HG1 THR 29 -5.403 6.236 3.028
173 HG21 THR 29 3HG2 THR 29 -6.178 4.957 -0.055
174 HG22 THR 29 1HG2 THR 29 -4.657 5.341 -0.858
175 HG23 THR 29 2HG2 THR 29 -5.802 6.627 -0.477
176 H GLN 30 H GLN 30 -3.910 4.657 3.927
177 HA GLN 30 HA GLN 30 -2.185 6.621 4.881
178 HB2 GLN 30 1HB GLN 30 -4.006 5.109 6.066
179 HB3 GLN 30 2HB GLN 30 -2.600 4.141 6.488
180 HG2 GLN 30 1HG GLN 30 -1.635 6.444 7.273
181 HG3 GLN 30 2HG GLN 30 -3.339 6.889 7.349
182 HE21 GLN 30 1HE2 GLN 30 -4.270 6.570 9.229
183 HE22 GLN 30 2HE2 GLN 30 -3.806 5.405 10.416
184 H HIS 31 H HIS 31 -1.610 3.117 4.592
185 HA HIS 31 HA HIS 31 0.938 2.942 5.571
186 HB2 HIS 31 1HB HIS 31 -0.377 1.006 4.804
187 HB3 HIS 31 2HB HIS 31 -0.134 1.505 3.133
188 HD1 HIS 31 HD1 HIS 31 2.031 0.566 6.122
189 HD2 HIS 31 HD2 HIS 31 1.985 0.293 1.977
190 HE1 HIS 31 HE1 HIS 31 4.080 -0.759 5.512
191 H GLN 32 H GLN 32 -0.041 3.953 2.323
192 HA GLN 32 HA GLN 32 2.540 4.181 1.231
193 HB2 GLN 32 1HB GLN 32 0.157 4.289 0.123
194 HB3 GLN 32 2HB GLN 32 0.339 6.019 0.382
195 HG2 GLN 32 1HG GLN 32 2.566 4.558 -0.929
196 HG3 GLN 32 2HG GLN 32 1.096 4.853 -1.857
197 HE21 GLN 32 1HE2 GLN 32 1.583 6.446 -3.202
198 HE22 GLN 32 2HE2 GLN 32 2.283 7.962 -2.757
199 H ARG 33 H ARG 33 0.568 6.402 3.109
200 HA ARG 33 HA ARG 33 2.093 8.729 2.706
201 HB2 ARG 33 1HB ARG 33 -0.234 8.457 3.787
202 HB3 ARG 33 2HB ARG 33 0.646 8.119 5.271
203 HG2 ARG 33 1HG ARG 33 1.387 10.267 5.488
204 HG3 ARG 33 2HG ARG 33 1.341 10.575 3.751
205 HD2 ARG 33 1HD ARG 33 -1.127 10.202 5.434
206 HD3 ARG 33 2HD ARG 33 -0.398 11.777 5.122
207 HE ARG 33 HE ARG 33 -1.934 10.175 3.283
208 HH11 ARG 33 1HH1 ARG 33 0.394 12.740 3.629
209 HH12 ARG 33 2HH1 ARG 33 0.032 13.453 2.091
210 HH21 ARG 33 1HH2 ARG 33 -2.420 11.103 1.257
211 HH22 ARG 33 2HH2 ARG 33 -1.569 12.521 0.743
212 H LEU 34 H LEU 34 2.077 6.558 5.541
213 HA LEU 34 HA LEU 34 4.144 7.616 6.969
214 HB2 LEU 34 1HB LEU 34 4.223 5.652 8.146
215 HB3 LEU 34 2HB LEU 34 2.637 5.532 7.385
216 HG LEU 34 HG LEU 34 4.053 4.224 5.549
217 HD11 LEU 34 1HD1 LEU 34 6.200 4.486 6.588
218 HD12 LEU 34 2HD1 LEU 34 5.719 2.793 6.701
219 HD13 LEU 34 3HD1 LEU 34 5.590 3.842 8.113
220 HD21 LEU 34 3HD2 LEU 34 2.127 3.554 7.228
221 HD22 LEU 34 1HD2 LEU 34 3.439 2.667 8.005
222 HD23 LEU 34 2HD2 LEU 34 3.028 2.337 6.322
223 H HIS 35 H HIS 35 4.357 5.547 4.130
224 HA HIS 35 HA HIS 35 7.080 4.950 4.201
225 HB2 HIS 35 1HB HIS 35 5.004 5.085 2.074
226 HB3 HIS 35 2HB HIS 35 6.687 5.043 1.557
227 HD1 HIS 35 HD1 HIS 35 7.508 3.094 4.009
228 HD2 HIS 35 HD2 HIS 35 4.536 2.481 1.172
229 HE1 HIS 35 HE1 HIS 35 7.155 0.606 3.932
230 H THR 36 H THR 36 5.388 7.758 2.876
231 HA THR 36 HA THR 36 7.186 9.101 1.435
232 HB THR 36 HB THR 36 5.658 10.365 3.719
233 HG1 THR 36 HG1 THR 36 4.166 10.809 1.909
234 HG21 THR 36 3HG2 THR 36 5.756 12.200 1.703
235 HG22 THR 36 1HG2 THR 36 7.345 11.448 1.575
236 HG23 THR 36 2HG2 THR 36 6.836 12.181 3.097
237 H GLY 37 H GLY 37 9.344 8.975 1.731
238 HA2 GLY 37 1HA GLY 37 10.747 8.827 4.106
239 HA3 GLY 37 2HA GLY 37 11.404 9.481 2.612
240 H GLN 38 H GLN 38 10.128 10.200 5.733
241 HA GLN 38 HA GLN 38 10.826 13.026 5.323
242 HB2 GLN 38 1HB GLN 38 8.312 12.561 5.370
243 HB3 GLN 38 2HB GLN 38 8.529 12.157 7.068
244 HG2 GLN 38 1HG GLN 38 7.762 14.445 6.789
245 HG3 GLN 38 2HG GLN 38 9.368 14.391 7.513
246 HE21 GLN 38 1HE2 GLN 38 9.331 16.665 6.781
247 HE22 GLN 38 2HE2 GLN 38 9.862 17.008 5.173
248 H ARG 39 H ARG 39 12.580 11.154 6.341
249 HA ARG 39 HA ARG 39 13.216 12.316 8.867
250 HB2 ARG 39 1HB ARG 39 13.039 10.387 10.276
251 HB3 ARG 39 2HB ARG 39 11.475 10.634 9.510
252 HG2 ARG 39 1HG ARG 39 13.415 8.778 8.228
253 HG3 ARG 39 2HG ARG 39 12.549 8.249 9.672
254 HD2 ARG 39 1HD ARG 39 10.421 8.740 8.584
255 HD3 ARG 39 2HD ARG 39 11.276 9.304 7.149
256 HE ARG 39 HE ARG 39 10.710 6.601 7.851
257 HH11 ARG 39 1HH1 ARG 39 13.027 8.648 6.252
258 HH12 ARG 39 2HH1 ARG 39 13.610 7.394 5.209
259 HH21 ARG 39 1HH2 ARG 39 11.469 4.941 6.483
260 HH22 ARG 39 2HH2 ARG 39 12.723 5.286 5.341
261 HA PRO 40 HA PRO 40 17.250 11.161 7.574
262 HB2 PRO 40 1HB PRO 40 18.542 11.071 9.960
263 HB3 PRO 40 2HB PRO 40 18.039 12.584 9.196
264 HG2 PRO 40 1HG PRO 40 16.710 11.035 11.386
265 HG3 PRO 40 2HG PRO 40 16.957 12.785 11.244
266 HD2 PRO 40 1HD PRO 40 14.594 11.596 10.665
267 HD3 PRO 40 2HD PRO 40 15.164 13.051 9.821
268 H SER 41 H SER 41 16.179 9.380 10.474
269 HA SER 41 HA SER 41 17.246 6.924 9.249
270 HB2 SER 41 1HB SER 41 17.796 6.154 11.582
271 HB3 SER 41 2HB SER 41 18.776 7.504 11.012
272 HG SER 41 HG SER 41 16.717 7.478 12.923
273 H GLY 42 H GLY 42 15.176 8.025 11.945
274 HA2 GLY 42 1HA GLY 42 12.781 7.528 11.835
275 HA3 GLY 42 2HA GLY 42 13.208 5.990 11.100
276 HA PRO 43 HA PRO 43 12.931 4.136 15.069
277 HB2 PRO 43 1HB PRO 43 14.511 1.965 14.672
278 HB3 PRO 43 2HB PRO 43 12.897 2.120 13.968
279 HG2 PRO 43 1HG PRO 43 15.567 2.614 12.709
280 HG3 PRO 43 2HG PRO 43 14.150 1.786 12.038
281 HD2 PRO 43 1HD PRO 43 14.772 4.347 11.414
282 HD3 PRO 43 2HD PRO 43 13.097 3.763 11.491
283 H SER 44 H SER 44 14.527 2.975 16.687
284 HA SER 44 HA SER 44 16.833 4.776 17.006
285 HB2 SER 44 1HB SER 44 15.015 3.427 18.978
286 HB3 SER 44 2HB SER 44 16.639 3.914 19.463
287 HG SER 44 HG SER 44 16.042 6.047 18.642
288 H SER 45 H SER 45 17.106 2.584 15.317
289 HA SER 45 HA SER 45 18.318 0.400 16.758
290 HB2 SER 45 1HB SER 45 17.111 0.031 14.628
291 HB3 SER 45 2HB SER 45 18.327 0.994 13.788
292 HG SER 45 HG SER 45 18.830 -1.196 13.612
293 H GLY 46 H GLY 46 19.558 2.755 17.477
294 HA2 GLY 46 1HA GLY 46 22.014 2.685 17.884
295 HA3 GLY 46 2HA GLY 46 22.185 2.517 16.143
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -3.164 -30.987 -6.576
2 HA2 GLY 1 1HA GLY 1 -2.453 -31.521 -9.052
3 HA3 GLY 1 2HA GLY 1 -4.121 -32.069 -9.122
4 H SER 2 H SER 2 -4.868 -30.559 -10.557
5 HA SER 2 HA SER 2 -5.519 -28.532 -11.384
6 HB2 SER 2 1HB SER 2 -6.899 -28.899 -9.222
7 HB3 SER 2 2HB SER 2 -5.865 -27.651 -8.527
8 HG SER 2 HG SER 2 -7.989 -27.357 -10.113
9 H SER 3 H SER 3 -2.850 -28.615 -11.438
10 HA SER 3 HA SER 3 -0.981 -27.327 -11.591
11 HB2 SER 3 1HB SER 3 -2.588 -25.728 -12.635
12 HB3 SER 3 2HB SER 3 -2.847 -25.006 -11.047
13 HG SER 3 HG SER 3 -1.282 -23.801 -12.017
14 H GLY 4 H GLY 4 -1.381 -28.540 -9.154
15 HA2 GLY 4 1HA GLY 4 -0.442 -28.512 -7.052
16 HA3 GLY 4 2HA GLY 4 0.295 -26.972 -7.468
17 H SER 5 H SER 5 -0.683 -27.511 -4.922
18 HA SER 5 HA SER 5 -3.049 -25.756 -4.808
19 HB2 SER 5 1HB SER 5 -3.528 -28.081 -4.075
20 HB3 SER 5 2HB SER 5 -2.291 -27.918 -2.828
21 HG SER 5 HG SER 5 -3.540 -26.516 -1.746
22 H SER 6 H SER 6 -1.813 -23.872 -4.640
23 HA SER 6 HA SER 6 -0.742 -23.398 -1.973
24 HB2 SER 6 1HB SER 6 0.863 -23.257 -4.500
25 HB3 SER 6 2HB SER 6 1.216 -22.135 -3.186
26 HG SER 6 HG SER 6 2.118 -24.538 -3.396
27 H GLY 7 H GLY 7 -0.071 -20.973 -1.820
28 HA2 GLY 7 1HA GLY 7 -0.549 -18.782 -2.967
29 HA3 GLY 7 2HA GLY 7 -2.172 -19.417 -3.195
30 H THR 8 H THR 8 -0.478 -17.308 -1.420
31 HA THR 8 HA THR 8 -2.296 -17.589 0.880
32 HB THR 8 HB THR 8 -0.485 -16.615 2.314
33 HG1 THR 8 HG1 THR 8 1.396 -17.447 0.403
34 HG21 THR 8 3HG2 THR 8 0.980 -18.902 1.837
35 HG22 THR 8 1HG2 THR 8 -0.615 -19.307 1.204
36 HG23 THR 8 2HG2 THR 8 -0.437 -18.782 2.879
37 H GLY 9 H GLY 9 -3.711 -15.970 0.639
38 HA2 GLY 9 1HA GLY 9 -4.554 -13.882 0.112
39 HA3 GLY 9 2HA GLY 9 -3.246 -13.354 1.160
40 H GLU 10 H GLU 10 -4.163 -13.985 -2.179
41 HA GLU 10 HA GLU 10 -1.881 -12.343 -3.056
42 HB2 GLU 10 1HB GLU 10 -1.961 -14.678 -3.930
43 HB3 GLU 10 2HB GLU 10 -3.496 -14.300 -4.698
44 HG2 GLU 10 1HG GLU 10 -0.989 -12.756 -5.271
45 HG3 GLU 10 2HG GLU 10 -1.431 -14.215 -6.155
46 H LYS 11 H LYS 11 -2.399 -10.330 -3.556
47 HA LYS 11 HA LYS 11 -4.596 -9.741 -5.306
48 HB2 LYS 11 1HB LYS 11 -5.675 -8.119 -3.738
49 HB3 LYS 11 2HB LYS 11 -5.876 -9.805 -3.279
50 HG2 LYS 11 1HG LYS 11 -4.207 -9.606 -1.574
51 HG3 LYS 11 2HG LYS 11 -3.792 -7.976 -2.110
52 HD2 LYS 11 1HD LYS 11 -6.049 -7.217 -1.513
53 HD3 LYS 11 2HD LYS 11 -6.444 -8.846 -0.960
54 HE2 LYS 11 1HE LYS 11 -5.162 -8.664 0.923
55 HE3 LYS 11 2HE LYS 11 -4.031 -7.538 0.176
56 HZ1 LYS 11 3HZ LYS 11 -6.503 -6.271 0.289
57 HZ2 LYS 11 1HZ LYS 11 -5.107 -5.900 1.170
58 HZ3 LYS 11 2HZ LYS 11 -6.250 -6.971 1.808
59 HA PRO 12 HA PRO 12 -1.799 -6.527 -6.413
60 HB2 PRO 12 1HB PRO 12 -3.511 -4.906 -7.758
61 HB3 PRO 12 2HB PRO 12 -2.926 -6.440 -8.413
62 HG2 PRO 12 1HG PRO 12 -5.530 -5.824 -7.071
63 HG3 PRO 12 2HG PRO 12 -5.220 -6.805 -8.515
64 HD2 PRO 12 1HD PRO 12 -5.647 -7.900 -6.076
65 HD3 PRO 12 2HD PRO 12 -4.580 -8.645 -7.283
66 H TYR 13 H TYR 13 -4.364 -6.122 -4.249
67 HA TYR 13 HA TYR 13 -3.921 -3.282 -3.819
68 HB2 TYR 13 1HB TYR 13 -5.595 -4.923 -1.973
69 HB3 TYR 13 2HB TYR 13 -5.851 -3.284 -2.560
70 HD1 TYR 13 HD2 TYR 13 -5.804 -3.546 -5.438
71 HD2 TYR 13 HD1 TYR 13 -7.454 -6.181 -2.533
72 HE1 TYR 13 HE2 TYR 13 -7.393 -4.391 -7.115
73 HE2 TYR 13 HE1 TYR 13 -9.046 -7.034 -4.202
74 HH TYR 13 HH TYR 13 -8.958 -7.133 -6.945
75 H LYS 14 H LYS 14 -1.573 -4.446 -3.404
76 HA LYS 14 HA LYS 14 -1.284 -4.388 -0.477
77 HB2 LYS 14 1HB LYS 14 -0.312 -6.426 -2.415
78 HB3 LYS 14 2HB LYS 14 0.765 -5.991 -1.094
79 HG2 LYS 14 1HG LYS 14 -1.086 -6.510 0.492
80 HG3 LYS 14 2HG LYS 14 -2.019 -7.111 -0.880
81 HD2 LYS 14 1HD LYS 14 -1.057 -9.053 -0.088
82 HD3 LYS 14 2HD LYS 14 0.104 -8.564 -1.324
83 HE2 LYS 14 1HE LYS 14 0.487 -7.583 1.461
84 HE3 LYS 14 2HE LYS 14 0.879 -9.264 1.101
85 HZ1 LYS 14 3HZ LYS 14 2.859 -8.285 0.630
86 HZ2 LYS 14 1HZ LYS 14 2.169 -6.812 0.163
87 HZ3 LYS 14 2HZ LYS 14 2.136 -8.134 -0.892
88 H CYS 15 H CYS 15 0.417 -3.230 0.305
89 HA CYS 15 HA CYS 15 1.512 -1.168 -1.171
90 HB2 CYS 15 1HB CYS 15 1.550 -1.038 1.213
91 HB3 CYS 15 2HB CYS 15 2.499 -2.514 1.343
92 H MET 16 H MET 16 3.319 -0.866 -2.378
93 HA MET 16 HA MET 16 4.782 -3.279 -3.149
94 HB2 MET 16 1HB MET 16 3.685 -1.711 -4.842
95 HB3 MET 16 2HB MET 16 4.969 -0.572 -4.461
96 HG2 MET 16 1HG MET 16 5.499 -1.821 -6.461
97 HG3 MET 16 2HG MET 16 6.635 -2.206 -5.170
98 HE1 MET 16 3HE MET 16 7.147 -4.268 -4.295
99 HE2 MET 16 1HE MET 16 6.608 -5.833 -4.904
100 HE3 MET 16 2HE MET 16 7.500 -4.737 -5.959
101 H GLU 17 H GLU 17 5.222 -0.165 -1.636
102 HA GLU 17 HA GLU 17 7.949 0.194 -1.801
103 HB2 GLU 17 1HB GLU 17 5.979 0.828 0.380
104 HB3 GLU 17 2HB GLU 17 7.682 1.230 0.548
105 HG2 GLU 17 1HG GLU 17 6.191 3.070 -0.287
106 HG3 GLU 17 2HG GLU 17 7.615 2.727 -1.268
107 H CYS 18 H CYS 18 6.265 -1.411 0.906
108 HA CYS 18 HA CYS 18 8.728 -2.958 1.386
109 HB2 CYS 18 1HB CYS 18 8.171 -3.029 3.728
110 HB3 CYS 18 2HB CYS 18 8.107 -1.351 3.198
111 H GLY 19 H GLY 19 5.180 -3.070 1.553
112 HA2 GLY 19 1HA GLY 19 4.000 -4.921 0.546
113 HA3 GLY 19 2HA GLY 19 5.352 -5.956 0.979
114 H LYS 20 H LYS 20 2.323 -4.725 1.926
115 HA LYS 20 HA LYS 20 2.303 -6.451 4.245
116 HB2 LYS 20 1HB LYS 20 3.223 -4.343 5.144
117 HB3 LYS 20 2HB LYS 20 1.806 -3.484 4.556
118 HG2 LYS 20 1HG LYS 20 0.382 -4.642 6.078
119 HG3 LYS 20 2HG LYS 20 1.686 -5.734 6.549
120 HD2 LYS 20 1HD LYS 20 2.117 -2.812 6.891
121 HD3 LYS 20 2HD LYS 20 1.025 -3.626 8.014
122 HE2 LYS 20 1HE LYS 20 2.987 -3.919 9.134
123 HE3 LYS 20 2HE LYS 20 3.024 -5.361 8.119
124 HZ1 LYS 20 3HZ LYS 20 5.026 -4.613 7.519
125 HZ2 LYS 20 1HZ LYS 20 4.736 -3.044 8.082
126 HZ3 LYS 20 2HZ LYS 20 4.192 -3.507 6.549
127 H ALA 21 H ALA 21 0.291 -7.208 4.704
128 HA ALA 21 HA ALA 21 -1.809 -6.563 2.821
129 HB1 ALA 21 3HB ALA 21 -2.132 -8.469 5.104
130 HB2 ALA 21 1HB ALA 21 -2.860 -8.514 3.498
131 HB3 ALA 21 2HB ALA 21 -1.151 -8.903 3.705
132 H PHE 22 H PHE 22 -3.981 -6.027 3.464
133 HA PHE 22 HA PHE 22 -4.321 -4.903 6.133
134 HB2 PHE 22 1HB PHE 22 -4.462 -3.314 3.579
135 HB3 PHE 22 2HB PHE 22 -5.326 -2.810 5.027
136 HD1 PHE 22 HD2 PHE 22 -3.999 -2.371 7.128
137 HD2 PHE 22 HD1 PHE 22 -2.188 -2.853 3.307
138 HE1 PHE 22 HE2 PHE 22 -1.964 -1.266 7.957
139 HE2 PHE 22 HE1 PHE 22 -0.149 -1.749 4.130
140 HZ PHE 22 HZ PHE 22 -0.036 -0.952 6.458
141 H GLY 23 H GLY 23 -6.658 -3.991 6.314
142 HA2 GLY 23 1HA GLY 23 -8.414 -6.102 5.317
143 HA3 GLY 23 2HA GLY 23 -8.787 -4.957 6.597
144 H ASP 24 H ASP 24 -8.651 -2.556 5.643
145 HA ASP 24 HA ASP 24 -10.407 -2.566 3.279
146 HB2 ASP 24 1HB ASP 24 -10.271 -0.669 5.627
147 HB3 ASP 24 2HB ASP 24 -11.201 -0.337 4.168
148 H ASN 25 H ASN 25 -9.776 -1.520 1.500
149 HA ASN 25 HA ASN 25 -7.212 -0.694 1.016
150 HB2 ASN 25 1HB ASN 25 -8.931 -1.089 -0.730
151 HB3 ASN 25 2HB ASN 25 -9.689 0.441 -0.299
152 HD21 ASN 25 1HD2 ASN 25 -8.451 -0.500 -2.806
153 HD22 ASN 25 2HD2 ASN 25 -7.255 0.684 -3.199
154 H SER 26 H SER 26 -9.948 1.336 2.009
155 HA SER 26 HA SER 26 -9.067 3.847 1.871
156 HB2 SER 26 1HB SER 26 -10.543 2.418 4.036
157 HB3 SER 26 2HB SER 26 -10.009 4.069 4.347
158 HG SER 26 HG SER 26 -11.276 3.578 1.918
159 H SER 27 H SER 27 -8.182 1.736 4.607
160 HA SER 27 HA SER 27 -6.252 3.556 5.635
161 HB2 SER 27 1HB SER 27 -6.531 0.589 6.171
162 HB3 SER 27 2HB SER 27 -5.637 1.746 7.156
163 HG SER 27 HG SER 27 -7.473 1.917 8.171
164 H CYS 28 H CYS 28 -6.062 0.657 3.619
165 HA CYS 28 HA CYS 28 -3.452 0.056 3.495
166 HB2 CYS 28 1HB CYS 28 -5.244 -0.936 2.063
167 HB3 CYS 28 2HB CYS 28 -5.133 0.474 1.016
168 HG CYS 28 HG CYS 28 -2.173 -0.967 1.487
169 H THR 29 H THR 29 -4.911 2.708 1.616
170 HA THR 29 HA THR 29 -2.606 3.661 0.402
171 HB THR 29 HB THR 29 -3.763 5.856 0.255
172 HG1 THR 29 HG1 THR 29 -5.520 6.255 1.428
173 HG21 THR 29 3HG2 THR 29 -4.683 4.881 -1.526
174 HG22 THR 29 1HG2 THR 29 -6.055 4.435 -0.513
175 HG23 THR 29 2HG2 THR 29 -4.707 3.315 -0.716
176 H GLN 30 H GLN 30 -4.019 4.609 3.524
177 HA GLN 30 HA GLN 30 -2.324 6.632 4.261
178 HB2 GLN 30 1HB GLN 30 -4.325 5.427 5.510
179 HB3 GLN 30 2HB GLN 30 -3.011 4.588 6.324
180 HG2 GLN 30 1HG GLN 30 -2.917 7.554 6.153
181 HG3 GLN 30 2HG GLN 30 -4.033 6.802 7.292
182 HE21 GLN 30 1HE2 GLN 30 -0.665 7.091 6.362
183 HE22 GLN 30 2HE2 GLN 30 -0.007 6.648 7.896
184 H HIS 31 H HIS 31 -1.823 3.160 4.884
185 HA HIS 31 HA HIS 31 0.550 3.179 6.208
186 HB2 HIS 31 1HB HIS 31 -0.422 1.071 5.826
187 HB3 HIS 31 2HB HIS 31 -0.484 1.316 4.083
188 HD1 HIS 31 HD1 HIS 31 1.927 0.473 6.849
189 HD2 HIS 31 HD2 HIS 31 1.772 0.526 2.697
190 HE1 HIS 31 HE1 HIS 31 4.011 -0.708 6.083
191 H GLN 32 H GLN 32 0.123 3.473 2.699
192 HA GLN 32 HA GLN 32 2.754 3.439 1.880
193 HB2 GLN 32 1HB GLN 32 0.740 3.557 0.398
194 HB3 GLN 32 2HB GLN 32 0.619 5.270 0.776
195 HG2 GLN 32 1HG GLN 32 3.101 5.311 -0.061
196 HG3 GLN 32 2HG GLN 32 2.619 3.830 -0.887
197 HE21 GLN 32 1HE2 GLN 32 1.954 7.252 -0.536
198 HE22 GLN 32 2HE2 GLN 32 1.168 7.450 -2.061
199 H ARG 33 H ARG 33 0.932 6.075 3.334
200 HA ARG 33 HA ARG 33 2.499 8.255 2.872
201 HB2 ARG 33 1HB ARG 33 1.164 7.447 5.459
202 HB3 ARG 33 2HB ARG 33 1.832 9.045 5.157
203 HG2 ARG 33 1HG ARG 33 0.258 8.913 3.040
204 HG3 ARG 33 2HG ARG 33 -0.612 7.769 4.065
205 HD2 ARG 33 1HD ARG 33 -0.529 9.553 5.869
206 HD3 ARG 33 2HD ARG 33 0.004 10.662 4.607
207 HE ARG 33 HE ARG 33 -2.355 9.335 3.800
208 HH11 ARG 33 1HH1 ARG 33 -1.223 11.800 5.983
209 HH12 ARG 33 2HH1 ARG 33 -2.726 12.662 5.996
210 HH21 ARG 33 1HH2 ARG 33 -4.339 10.461 3.810
211 HH22 ARG 33 2HH2 ARG 33 -4.498 11.899 4.761
212 H LEU 34 H LEU 34 3.102 5.678 5.217
213 HA LEU 34 HA LEU 34 5.184 6.665 6.670
214 HB2 LEU 34 1HB LEU 34 4.643 3.929 5.587
215 HB3 LEU 34 2HB LEU 34 6.101 4.245 6.524
216 HG LEU 34 HG LEU 34 4.130 3.257 7.773
217 HD11 LEU 34 1HD1 LEU 34 5.233 4.002 9.543
218 HD12 LEU 34 2HD1 LEU 34 4.547 5.613 9.330
219 HD13 LEU 34 3HD1 LEU 34 6.051 5.180 8.515
220 HD21 LEU 34 3HD2 LEU 34 2.415 4.853 8.511
221 HD22 LEU 34 1HD2 LEU 34 2.364 4.584 6.769
222 HD23 LEU 34 2HD2 LEU 34 3.080 6.062 7.412
223 H HIS 35 H HIS 35 5.616 4.808 3.651
224 HA HIS 35 HA HIS 35 8.365 5.531 3.418
225 HB2 HIS 35 1HB HIS 35 6.814 4.597 1.046
226 HB3 HIS 35 2HB HIS 35 8.427 4.136 1.584
227 HD1 HIS 35 HD1 HIS 35 8.604 2.220 3.299
228 HD2 HIS 35 HD2 HIS 35 4.710 3.115 2.160
229 HE1 HIS 35 HE1 HIS 35 7.201 0.311 4.144
230 H THR 36 H THR 36 5.377 6.629 1.875
231 HA THR 36 HA THR 36 6.869 8.945 0.825
232 HB THR 36 HB THR 36 4.437 7.712 -0.477
233 HG1 THR 36 HG1 THR 36 6.157 6.284 -0.725
234 HG21 THR 36 3HG2 THR 36 4.416 9.786 -1.382
235 HG22 THR 36 1HG2 THR 36 5.701 9.131 -2.396
236 HG23 THR 36 2HG2 THR 36 6.103 10.096 -0.975
237 H GLY 37 H GLY 37 6.295 9.962 2.876
238 HA2 GLY 37 1HA GLY 37 4.137 11.715 2.660
239 HA3 GLY 37 2HA GLY 37 3.613 10.378 3.672
240 H GLN 38 H GLN 38 3.379 11.847 5.424
241 HA GLN 38 HA GLN 38 4.056 12.737 7.407
242 HB2 GLN 38 1HB GLN 38 5.551 10.717 7.437
243 HB3 GLN 38 2HB GLN 38 6.813 11.712 6.724
244 HG2 GLN 38 1HG GLN 38 6.912 11.387 9.221
245 HG3 GLN 38 2HG GLN 38 6.995 13.050 8.642
246 HE21 GLN 38 1HE2 GLN 38 6.050 14.259 10.127
247 HE22 GLN 38 2HE2 GLN 38 4.500 13.968 10.833
248 H ARG 39 H ARG 39 3.749 14.554 5.539
249 HA ARG 39 HA ARG 39 4.294 16.662 4.883
250 HB2 ARG 39 1HB ARG 39 5.805 16.301 7.419
251 HB3 ARG 39 2HB ARG 39 6.229 17.682 6.417
252 HG2 ARG 39 1HG ARG 39 4.094 18.624 6.616
253 HG3 ARG 39 2HG ARG 39 3.394 17.118 7.211
254 HD2 ARG 39 1HD ARG 39 3.585 18.341 9.155
255 HD3 ARG 39 2HD ARG 39 5.091 17.424 9.162
256 HE ARG 39 HE ARG 39 4.785 20.278 8.802
257 HH11 ARG 39 1HH1 ARG 39 6.862 17.503 8.472
258 HH12 ARG 39 2HH1 ARG 39 8.323 18.434 8.463
259 HH21 ARG 39 1HH2 ARG 39 6.702 21.515 8.791
260 HH22 ARG 39 2HH2 ARG 39 8.231 20.716 8.645
261 HA PRO 40 HA PRO 40 8.173 14.877 2.850
262 HB2 PRO 40 1HB PRO 40 7.048 14.309 0.445
263 HB3 PRO 40 2HB PRO 40 7.097 13.151 1.780
264 HG2 PRO 40 1HG PRO 40 4.855 14.925 0.893
265 HG3 PRO 40 2HG PRO 40 4.806 13.224 1.390
266 HD2 PRO 40 1HD PRO 40 4.096 15.247 3.044
267 HD3 PRO 40 2HD PRO 40 4.844 13.749 3.634
268 H SER 41 H SER 41 8.743 17.151 3.037
269 HA SER 41 HA SER 41 8.162 18.661 0.573
270 HB2 SER 41 1HB SER 41 8.644 19.724 3.366
271 HB3 SER 41 2HB SER 41 8.511 20.729 1.924
272 HG SER 41 HG SER 41 6.476 20.708 2.566
273 H GLY 42 H GLY 42 10.562 18.000 3.095
274 HA2 GLY 42 1HA GLY 42 12.695 17.944 1.202
275 HA3 GLY 42 2HA GLY 42 12.716 19.434 2.133
276 HA PRO 43 HA PRO 43 14.490 15.598 4.456
277 HB2 PRO 43 1HB PRO 43 17.076 15.613 3.631
278 HB3 PRO 43 2HB PRO 43 15.821 14.651 2.841
279 HG2 PRO 43 1HG PRO 43 16.962 17.301 2.042
280 HG3 PRO 43 2HG PRO 43 16.579 15.897 1.029
281 HD2 PRO 43 1HD PRO 43 14.950 18.053 1.206
282 HD3 PRO 43 2HD PRO 43 14.333 16.408 0.950
283 H SER 44 H SER 44 15.184 18.873 3.899
284 HA SER 44 HA SER 44 17.163 19.160 5.979
285 HB2 SER 44 1HB SER 44 15.644 21.155 4.294
286 HB3 SER 44 2HB SER 44 16.786 21.634 5.549
287 HG SER 44 HG SER 44 17.601 21.414 3.305
288 H SER 45 H SER 45 16.697 21.004 7.632
289 HA SER 45 HA SER 45 13.967 20.828 8.675
290 HB2 SER 45 1HB SER 45 15.204 19.064 9.833
291 HB3 SER 45 2HB SER 45 16.451 20.220 10.297
292 HG SER 45 HG SER 45 13.742 20.163 11.130
293 H GLY 46 H GLY 46 13.377 22.532 10.087
294 HA2 GLY 46 1HA GLY 46 14.904 24.515 11.172
295 HA3 GLY 46 2HA GLY 46 14.716 25.007 9.495
Start of MODEL 6
1 H1 GLY 1 H GLY 1 1.049 -25.154 -16.568
2 HA2 GLY 1 1HA GLY 1 2.059 -22.900 -16.584
3 HA3 GLY 1 2HA GLY 1 0.447 -22.276 -16.268
4 H SER 2 H SER 2 0.272 -21.552 -14.264
5 HA SER 2 HA SER 2 1.756 -22.938 -12.133
6 HB2 SER 2 1HB SER 2 0.660 -20.116 -12.110
7 HB3 SER 2 2HB SER 2 1.687 -20.855 -10.881
8 HG SER 2 HG SER 2 3.382 -20.539 -12.102
9 H SER 3 H SER 3 0.653 -24.013 -10.638
10 HA SER 3 HA SER 3 -2.257 -23.608 -10.497
11 HB2 SER 3 1HB SER 3 -2.436 -25.879 -9.708
12 HB3 SER 3 2HB SER 3 -1.415 -25.883 -11.145
13 HG SER 3 HG SER 3 -0.083 -26.915 -9.882
14 H GLY 4 H GLY 4 -3.299 -23.478 -8.487
15 HA2 GLY 4 1HA GLY 4 -1.753 -23.458 -6.045
16 HA3 GLY 4 2HA GLY 4 -2.296 -21.868 -6.559
17 H SER 5 H SER 5 -3.612 -21.610 -4.742
18 HA SER 5 HA SER 5 -6.215 -22.862 -4.995
19 HB2 SER 5 1HB SER 5 -4.666 -23.062 -2.400
20 HB3 SER 5 2HB SER 5 -6.319 -23.614 -2.672
21 HG SER 5 HG SER 5 -4.116 -24.981 -3.034
22 H SER 6 H SER 6 -7.869 -21.768 -3.797
23 HA SER 6 HA SER 6 -7.989 -19.099 -3.946
24 HB2 SER 6 1HB SER 6 -9.667 -19.120 -2.112
25 HB3 SER 6 2HB SER 6 -9.914 -20.426 -3.271
26 HG SER 6 HG SER 6 -9.583 -20.623 -0.661
27 H GLY 7 H GLY 7 -6.732 -20.856 -1.124
28 HA2 GLY 7 1HA GLY 7 -5.498 -20.139 0.680
29 HA3 GLY 7 2HA GLY 7 -4.670 -19.146 -0.510
30 H THR 8 H THR 8 -4.513 -17.879 1.624
31 HA THR 8 HA THR 8 -6.910 -16.297 2.161
32 HB THR 8 HB THR 8 -4.242 -16.135 3.568
33 HG1 THR 8 HG1 THR 8 -5.633 -17.382 5.188
34 HG21 THR 8 3HG2 THR 8 -5.968 -14.246 3.741
35 HG22 THR 8 1HG2 THR 8 -5.352 -14.926 5.246
36 HG23 THR 8 2HG2 THR 8 -6.946 -15.395 4.652
37 H GLY 9 H GLY 9 -6.968 -15.061 0.240
38 HA2 GLY 9 1HA GLY 9 -4.934 -12.924 0.183
39 HA3 GLY 9 2HA GLY 9 -5.455 -13.707 -1.301
40 H GLU 10 H GLU 10 -6.156 -11.312 1.053
41 HA GLU 10 HA GLU 10 -8.886 -10.875 0.481
42 HB2 GLU 10 1HB GLU 10 -8.409 -8.562 1.423
43 HB3 GLU 10 2HB GLU 10 -8.057 -9.924 2.477
44 HG2 GLU 10 1HG GLU 10 -5.875 -8.842 0.775
45 HG3 GLU 10 2HG GLU 10 -6.371 -7.934 2.202
46 H LYS 11 H LYS 11 -5.929 -9.808 -1.048
47 HA LYS 11 HA LYS 11 -7.261 -9.115 -3.452
48 HB2 LYS 11 1HB LYS 11 -6.567 -6.675 -3.418
49 HB3 LYS 11 2HB LYS 11 -7.940 -7.102 -2.404
50 HG2 LYS 11 1HG LYS 11 -6.787 -5.814 -0.937
51 HG3 LYS 11 2HG LYS 11 -6.043 -7.374 -0.580
52 HD2 LYS 11 1HD LYS 11 -4.115 -6.859 -1.823
53 HD3 LYS 11 2HD LYS 11 -4.902 -5.505 -2.639
54 HE2 LYS 11 1HE LYS 11 -4.437 -5.554 0.332
55 HE3 LYS 11 2HE LYS 11 -3.238 -4.935 -0.802
56 HZ1 LYS 11 3HZ LYS 11 -5.494 -3.628 0.236
57 HZ2 LYS 11 1HZ LYS 11 -5.689 -3.769 -1.439
58 HZ3 LYS 11 2HZ LYS 11 -4.312 -3.017 -0.808
59 HA PRO 12 HA PRO 12 -3.196 -9.930 -4.926
60 HB2 PRO 12 1HB PRO 12 -3.400 -8.854 -7.410
61 HB3 PRO 12 2HB PRO 12 -4.178 -10.374 -6.954
62 HG2 PRO 12 1HG PRO 12 -5.351 -7.626 -7.136
63 HG3 PRO 12 2HG PRO 12 -6.032 -9.171 -7.678
64 HD2 PRO 12 1HD PRO 12 -6.777 -7.984 -5.361
65 HD3 PRO 12 2HD PRO 12 -6.736 -9.748 -5.561
66 H TYR 13 H TYR 13 -4.386 -6.674 -5.784
67 HA TYR 13 HA TYR 13 -1.853 -5.493 -6.049
68 HB2 TYR 13 1HB TYR 13 -3.072 -3.336 -5.820
69 HB3 TYR 13 2HB TYR 13 -3.813 -4.429 -6.984
70 HD1 TYR 13 HD2 TYR 13 -5.893 -5.665 -6.351
71 HD2 TYR 13 HD1 TYR 13 -4.258 -2.593 -3.903
72 HE1 TYR 13 HE2 TYR 13 -8.044 -5.465 -5.175
73 HE2 TYR 13 HE1 TYR 13 -6.404 -2.386 -2.720
74 HH TYR 13 HH TYR 13 -8.600 -2.947 -2.776
75 H LYS 14 H LYS 14 -0.609 -6.181 -4.269
76 HA LYS 14 HA LYS 14 -1.341 -4.978 -1.683
77 HB2 LYS 14 1HB LYS 14 -0.928 -7.521 -1.938
78 HB3 LYS 14 2HB LYS 14 0.772 -7.085 -2.046
79 HG2 LYS 14 1HG LYS 14 0.814 -6.255 0.144
80 HG3 LYS 14 2HG LYS 14 -0.947 -6.187 0.242
81 HD2 LYS 14 1HD LYS 14 -0.568 -8.099 1.436
82 HD3 LYS 14 2HD LYS 14 -0.712 -8.787 -0.184
83 HE2 LYS 14 1HE LYS 14 1.973 -7.904 0.746
84 HE3 LYS 14 2HE LYS 14 1.307 -9.393 1.414
85 HZ1 LYS 14 3HZ LYS 14 1.170 -10.347 -0.725
86 HZ2 LYS 14 1HZ LYS 14 2.709 -9.651 -0.628
87 HZ3 LYS 14 2HZ LYS 14 1.483 -8.876 -1.498
88 H CYS 15 H CYS 15 0.367 -4.023 -0.409
89 HA CYS 15 HA CYS 15 1.851 -2.104 -1.704
90 HB2 CYS 15 1HB CYS 15 1.410 -1.990 0.680
91 HB3 CYS 15 2HB CYS 15 2.406 -3.414 0.965
92 H MET 16 H MET 16 3.300 -2.464 -3.259
93 HA MET 16 HA MET 16 5.084 -4.756 -3.111
94 HB2 MET 16 1HB MET 16 3.873 -3.963 -5.229
95 HB3 MET 16 2HB MET 16 5.056 -2.663 -5.276
96 HG2 MET 16 1HG MET 16 6.028 -4.206 -6.655
97 HG3 MET 16 2HG MET 16 6.784 -4.599 -5.112
98 HE1 MET 16 3HE MET 16 7.110 -7.001 -4.499
99 HE2 MET 16 1HE MET 16 6.555 -8.264 -5.598
100 HE3 MET 16 2HE MET 16 7.506 -6.913 -6.216
101 H GLU 17 H GLU 17 5.147 -1.938 -1.633
102 HA GLU 17 HA GLU 17 7.840 -1.088 -2.292
103 HB2 GLU 17 1HB GLU 17 6.250 0.648 -1.792
104 HB3 GLU 17 2HB GLU 17 5.835 -0.106 -0.259
105 HG2 GLU 17 1HG GLU 17 7.216 1.592 0.416
106 HG3 GLU 17 2HG GLU 17 8.346 0.245 0.294
107 H CYS 18 H CYS 18 6.151 -2.357 0.574
108 HA CYS 18 HA CYS 18 8.752 -3.338 1.552
109 HB2 CYS 18 1HB CYS 18 8.086 -2.896 3.814
110 HB3 CYS 18 2HB CYS 18 7.825 -1.423 2.885
111 H GLY 19 H GLY 19 5.246 -3.851 1.516
112 HA2 GLY 19 1HA GLY 19 4.457 -6.083 0.910
113 HA3 GLY 19 2HA GLY 19 5.776 -6.735 1.871
114 H LYS 20 H LYS 20 3.198 -4.336 2.436
115 HA LYS 20 HA LYS 20 2.565 -5.771 4.931
116 HB2 LYS 20 1HB LYS 20 3.410 -3.261 4.850
117 HB3 LYS 20 2HB LYS 20 1.717 -2.942 4.495
118 HG2 LYS 20 1HG LYS 20 2.596 -4.554 6.872
119 HG3 LYS 20 2HG LYS 20 2.410 -2.799 6.917
120 HD2 LYS 20 1HD LYS 20 0.103 -2.918 6.559
121 HD3 LYS 20 2HD LYS 20 0.191 -4.572 5.950
122 HE2 LYS 20 1HE LYS 20 1.047 -4.020 8.750
123 HE3 LYS 20 2HE LYS 20 -0.677 -4.058 8.381
124 HZ1 LYS 20 3HZ LYS 20 0.984 -6.217 8.853
125 HZ2 LYS 20 1HZ LYS 20 0.623 -6.274 7.200
126 HZ3 LYS 20 2HZ LYS 20 -0.627 -6.258 8.339
127 H ALA 21 H ALA 21 0.640 -6.713 5.061
128 HA ALA 21 HA ALA 21 -1.285 -6.356 2.932
129 HB1 ALA 21 3HB ALA 21 -0.899 -8.598 3.654
130 HB2 ALA 21 1HB ALA 21 -1.234 -8.174 5.333
131 HB3 ALA 21 2HB ALA 21 -2.535 -8.153 4.142
132 H PHE 22 H PHE 22 -3.382 -5.596 3.143
133 HA PHE 22 HA PHE 22 -4.045 -4.270 5.684
134 HB2 PHE 22 1HB PHE 22 -4.859 -3.035 3.080
135 HB3 PHE 22 2HB PHE 22 -4.633 -2.274 4.652
136 HD1 PHE 22 HD2 PHE 22 -2.198 -2.219 5.550
137 HD2 PHE 22 HD1 PHE 22 -3.227 -2.831 1.465
138 HE1 PHE 22 HE2 PHE 22 0.057 -1.502 4.878
139 HE2 PHE 22 HE1 PHE 22 -0.972 -2.117 0.787
140 HZ PHE 22 HZ PHE 22 0.673 -1.450 2.494
141 H GLY 23 H GLY 23 -6.475 -3.470 5.493
142 HA2 GLY 23 1HA GLY 23 -8.002 -5.853 4.670
143 HA3 GLY 23 2HA GLY 23 -8.477 -4.736 5.942
144 H ASP 24 H ASP 24 -8.104 -2.310 4.613
145 HA ASP 24 HA ASP 24 -9.694 -2.431 2.179
146 HB2 ASP 24 1HB ASP 24 -11.352 -2.340 4.019
147 HB3 ASP 24 2HB ASP 24 -10.611 -0.846 4.588
148 H ASN 25 H ASN 25 -9.732 -0.422 1.007
149 HA ASN 25 HA ASN 25 -7.400 0.832 0.596
150 HB2 ASN 25 1HB ASN 25 -8.548 2.550 -0.532
151 HB3 ASN 25 2HB ASN 25 -9.648 1.177 -0.604
152 HD21 ASN 25 1HD2 ASN 25 -9.200 4.384 0.409
153 HD22 ASN 25 2HD2 ASN 25 -10.722 4.598 1.198
154 H SER 26 H SER 26 -9.809 1.868 2.988
155 HA SER 26 HA SER 26 -8.860 4.188 3.942
156 HB2 SER 26 1HB SER 26 -10.736 2.702 4.890
157 HB3 SER 26 2HB SER 26 -9.480 1.973 5.890
158 HG SER 26 HG SER 26 -9.801 4.769 5.802
159 H SER 27 H SER 27 -7.613 1.031 5.035
160 HA SER 27 HA SER 27 -5.488 2.144 6.548
161 HB2 SER 27 1HB SER 27 -5.661 -0.654 5.408
162 HB3 SER 27 2HB SER 27 -4.689 -0.127 6.782
163 HG SER 27 HG SER 27 -6.999 0.586 7.509
164 H CYS 28 H CYS 28 -5.572 0.561 3.361
165 HA CYS 28 HA CYS 28 -2.930 0.618 2.678
166 HB2 CYS 28 1HB CYS 28 -4.893 -0.250 1.309
167 HB3 CYS 28 2HB CYS 28 -5.105 1.401 0.739
168 HG CYS 28 HG CYS 28 -3.024 1.512 -0.875
169 H THR 29 H THR 29 -5.229 3.208 1.813
170 HA THR 29 HA THR 29 -3.550 5.056 0.754
171 HB THR 29 HB THR 29 -5.045 6.828 1.619
172 HG1 THR 29 HG1 THR 29 -6.941 5.783 2.839
173 HG21 THR 29 3HG2 THR 29 -5.636 4.914 -0.198
174 HG22 THR 29 1HG2 THR 29 -6.691 6.279 0.168
175 HG23 THR 29 2HG2 THR 29 -6.980 4.713 0.926
176 H GLN 30 H GLN 30 -4.165 4.592 4.224
177 HA GLN 30 HA GLN 30 -2.469 6.659 5.115
178 HB2 GLN 30 1HB GLN 30 -3.410 4.140 6.489
179 HB3 GLN 30 2HB GLN 30 -2.524 5.424 7.299
180 HG2 GLN 30 1HG GLN 30 -5.269 5.553 6.089
181 HG3 GLN 30 2HG GLN 30 -4.814 5.745 7.781
182 HE21 GLN 30 1HE2 GLN 30 -6.263 7.512 5.883
183 HE22 GLN 30 2HE2 GLN 30 -5.417 9.017 5.936
184 H HIS 31 H HIS 31 -1.922 3.141 4.947
185 HA HIS 31 HA HIS 31 0.611 2.918 5.877
186 HB2 HIS 31 1HB HIS 31 -0.773 1.046 4.984
187 HB3 HIS 31 2HB HIS 31 -0.367 1.569 3.352
188 HD1 HIS 31 HD1 HIS 31 1.199 0.057 6.427
189 HD2 HIS 31 HD2 HIS 31 2.098 0.742 2.429
190 HE1 HIS 31 HE1 HIS 31 3.322 -1.218 5.987
191 H GLN 32 H GLN 32 -0.364 4.314 2.817
192 HA GLN 32 HA GLN 32 2.233 4.451 1.673
193 HB2 GLN 32 1HB GLN 32 0.070 4.599 0.406
194 HB3 GLN 32 2HB GLN 32 -0.137 6.220 1.057
195 HG2 GLN 32 1HG GLN 32 1.515 7.107 -0.242
196 HG3 GLN 32 2HG GLN 32 2.393 5.583 -0.362
197 HE21 GLN 32 1HE2 GLN 32 1.634 7.430 -2.466
198 HE22 GLN 32 2HE2 GLN 32 0.659 6.532 -3.574
199 H ARG 33 H ARG 33 0.300 6.659 3.630
200 HA ARG 33 HA ARG 33 1.576 9.028 3.451
201 HB2 ARG 33 1HB ARG 33 0.733 7.646 6.003
202 HB3 ARG 33 2HB ARG 33 1.127 9.355 5.881
203 HG2 ARG 33 1HG ARG 33 -1.050 8.046 4.275
204 HG3 ARG 33 2HG ARG 33 -1.316 8.800 5.848
205 HD2 ARG 33 1HD ARG 33 -0.651 10.934 5.022
206 HD3 ARG 33 2HD ARG 33 -0.076 10.235 3.510
207 HE ARG 33 HE ARG 33 -2.847 9.726 3.921
208 HH11 ARG 33 1HH1 ARG 33 -0.575 12.160 2.906
209 HH12 ARG 33 2HH1 ARG 33 -1.718 12.995 1.906
210 HH21 ARG 33 1HH2 ARG 33 -4.361 10.817 2.609
211 HH22 ARG 33 2HH2 ARG 33 -3.871 12.231 1.739
212 H LEU 34 H LEU 34 2.588 6.590 5.856
213 HA LEU 34 HA LEU 34 4.983 7.817 6.565
214 HB2 LEU 34 1HB LEU 34 5.495 5.889 7.728
215 HB3 LEU 34 2HB LEU 34 3.736 5.833 7.635
216 HG LEU 34 HG LEU 34 4.248 4.351 5.506
217 HD11 LEU 34 1HD1 LEU 34 6.578 3.572 7.212
218 HD12 LEU 34 2HD1 LEU 34 6.757 4.788 5.948
219 HD13 LEU 34 3HD1 LEU 34 6.231 3.157 5.533
220 HD21 LEU 34 3HD2 LEU 34 4.066 2.373 6.932
221 HD22 LEU 34 1HD2 LEU 34 2.966 3.649 7.457
222 HD23 LEU 34 2HD2 LEU 34 4.461 3.353 8.346
223 H HIS 35 H HIS 35 4.275 5.528 3.979
224 HA HIS 35 HA HIS 35 6.898 4.958 3.190
225 HB2 HIS 35 1HB HIS 35 4.222 4.826 1.897
226 HB3 HIS 35 2HB HIS 35 5.632 4.750 0.843
227 HD1 HIS 35 HD1 HIS 35 7.322 3.102 3.067
228 HD2 HIS 35 HD2 HIS 35 3.618 2.129 1.456
229 HE1 HIS 35 HE1 HIS 35 7.094 0.614 3.360
230 H THR 36 H THR 36 4.726 7.589 2.273
231 HA THR 36 HA THR 36 5.859 8.785 0.170
232 HB THR 36 HB THR 36 5.185 10.329 2.680
233 HG1 THR 36 HG1 THR 36 3.603 9.024 0.772
234 HG21 THR 36 3HG2 THR 36 6.264 11.720 1.033
235 HG22 THR 36 1HG2 THR 36 4.541 12.093 1.044
236 HG23 THR 36 2HG2 THR 36 5.219 11.093 -0.241
237 H GLY 37 H GLY 37 7.189 8.876 3.453
238 HA2 GLY 37 1HA GLY 37 9.649 8.739 3.593
239 HA3 GLY 37 2HA GLY 37 9.699 9.919 2.291
240 H GLN 38 H GLN 38 9.607 12.060 2.761
241 HA GLN 38 HA GLN 38 10.485 13.148 5.030
242 HB2 GLN 38 1HB GLN 38 8.295 14.301 3.296
243 HB3 GLN 38 2HB GLN 38 9.210 15.220 4.484
244 HG2 GLN 38 1HG GLN 38 10.511 13.765 2.203
245 HG3 GLN 38 2HG GLN 38 9.948 15.431 2.083
246 HE21 GLN 38 1HE2 GLN 38 11.882 16.424 1.865
247 HE22 GLN 38 2HE2 GLN 38 13.113 16.427 3.077
248 H ARG 39 H ARG 39 9.912 12.480 7.018
249 HA ARG 39 HA ARG 39 7.262 11.836 7.790
250 HB2 ARG 39 1HB ARG 39 9.763 12.394 9.382
251 HB3 ARG 39 2HB ARG 39 8.240 11.931 10.129
252 HG2 ARG 39 1HG ARG 39 9.298 9.907 9.975
253 HG3 ARG 39 2HG ARG 39 8.371 9.919 8.474
254 HD2 ARG 39 1HD ARG 39 10.234 10.279 7.169
255 HD3 ARG 39 2HD ARG 39 11.137 11.031 8.484
256 HE ARG 39 HE ARG 39 11.928 8.967 9.057
257 HH11 ARG 39 1HH1 ARG 39 9.107 8.572 7.056
258 HH12 ARG 39 2HH1 ARG 39 9.275 6.851 6.933
259 HH21 ARG 39 1HH2 ARG 39 12.160 6.703 8.904
260 HH22 ARG 39 2HH2 ARG 39 11.011 5.790 7.986
261 HA PRO 40 HA PRO 40 5.535 15.752 8.775
262 HB2 PRO 40 1HB PRO 40 3.862 15.063 10.799
263 HB3 PRO 40 2HB PRO 40 3.549 14.645 9.110
264 HG2 PRO 40 1HG PRO 40 4.708 12.958 11.295
265 HG3 PRO 40 2HG PRO 40 3.504 12.526 10.067
266 HD2 PRO 40 1HD PRO 40 6.115 11.841 9.852
267 HD3 PRO 40 2HD PRO 40 5.101 12.193 8.438
268 H SER 41 H SER 41 7.242 16.959 9.592
269 HA SER 41 HA SER 41 8.352 16.592 12.174
270 HB2 SER 41 1HB SER 41 9.361 17.831 10.148
271 HB3 SER 41 2HB SER 41 8.393 19.207 10.677
272 HG SER 41 HG SER 41 9.980 19.580 11.992
273 H GLY 42 H GLY 42 6.477 16.445 13.522
274 HA2 GLY 42 1HA GLY 42 5.171 17.366 15.185
275 HA3 GLY 42 2HA GLY 42 5.789 18.946 14.726
276 HA PRO 43 HA PRO 43 1.359 17.977 13.086
277 HB2 PRO 43 1HB PRO 43 -0.180 18.740 15.189
278 HB3 PRO 43 2HB PRO 43 0.359 17.074 14.947
279 HG2 PRO 43 1HG PRO 43 1.488 19.188 16.740
280 HG3 PRO 43 2HG PRO 43 1.208 17.469 17.075
281 HD2 PRO 43 1HD PRO 43 3.652 18.452 16.449
282 HD3 PRO 43 2HD PRO 43 3.136 16.815 15.995
283 H SER 44 H SER 44 2.254 20.520 15.416
284 HA SER 44 HA SER 44 1.310 22.514 13.465
285 HB2 SER 44 1HB SER 44 -0.229 22.250 15.451
286 HB3 SER 44 2HB SER 44 1.094 22.829 16.464
287 HG SER 44 HG SER 44 0.294 24.321 14.223
288 H SER 45 H SER 45 3.249 23.146 12.662
289 HA SER 45 HA SER 45 4.981 24.643 14.452
290 HB2 SER 45 1HB SER 45 5.878 22.206 12.925
291 HB3 SER 45 2HB SER 45 7.013 23.483 13.363
292 HG SER 45 HG SER 45 5.937 21.528 14.905
293 H GLY 46 H GLY 46 6.061 26.307 13.452
294 HA2 GLY 46 1HA GLY 46 5.082 27.058 10.850
295 HA3 GLY 46 2HA GLY 46 6.164 27.995 11.870
Start of MODEL 7
1 H1 GLY 1 H GLY 1 13.190 -4.452 11.779
2 HA2 GLY 1 1HA GLY 1 14.240 -6.047 10.461
3 HA3 GLY 1 2HA GLY 1 14.125 -7.182 11.799
4 H SER 2 H SER 2 13.436 -8.870 10.475
5 HA SER 2 HA SER 2 10.632 -9.074 10.124
6 HB2 SER 2 1HB SER 2 10.491 -9.204 7.709
7 HB3 SER 2 2HB SER 2 11.190 -7.646 8.152
8 HG SER 2 HG SER 2 12.795 -9.887 7.525
9 H SER 3 H SER 3 9.972 -11.181 9.381
10 HA SER 3 HA SER 3 11.718 -13.240 10.270
11 HB2 SER 3 1HB SER 3 9.348 -13.522 10.577
12 HB3 SER 3 2HB SER 3 9.050 -13.336 8.848
13 HG SER 3 HG SER 3 9.058 -15.542 9.584
14 H GLY 4 H GLY 4 12.624 -14.966 9.085
15 HA2 GLY 4 1HA GLY 4 14.136 -14.444 6.919
16 HA3 GLY 4 2HA GLY 4 13.484 -16.047 7.224
17 H SER 5 H SER 5 11.566 -16.696 6.161
18 HA SER 5 HA SER 5 11.015 -15.132 3.727
19 HB2 SER 5 1HB SER 5 11.965 -17.604 3.717
20 HB3 SER 5 2HB SER 5 10.266 -18.019 3.948
21 HG SER 5 HG SER 5 9.888 -16.605 2.070
22 H SER 6 H SER 6 9.471 -13.840 4.895
23 HA SER 6 HA SER 6 6.819 -14.933 4.743
24 HB2 SER 6 1HB SER 6 8.079 -14.326 7.406
25 HB3 SER 6 2HB SER 6 6.337 -14.169 7.176
26 HG SER 6 HG SER 6 6.650 -16.233 7.840
27 H GLY 7 H GLY 7 5.176 -13.320 4.874
28 HA2 GLY 7 1HA GLY 7 4.561 -11.000 5.295
29 HA3 GLY 7 2HA GLY 7 6.196 -10.550 4.833
30 H THR 8 H THR 8 3.292 -12.134 3.522
31 HA THR 8 HA THR 8 3.608 -10.569 1.077
32 HB THR 8 HB THR 8 3.269 -12.507 -0.377
33 HG1 THR 8 HG1 THR 8 3.724 -14.616 0.850
34 HG21 THR 8 3HG2 THR 8 5.599 -11.732 0.607
35 HG22 THR 8 1HG2 THR 8 5.470 -13.150 -0.433
36 HG23 THR 8 2HG2 THR 8 5.571 -13.346 1.317
37 H GLY 9 H GLY 9 1.663 -10.781 -0.357
38 HA2 GLY 9 1HA GLY 9 -0.764 -11.516 1.134
39 HA3 GLY 9 2HA GLY 9 -0.624 -9.897 0.466
40 H GLU 10 H GLU 10 -2.723 -11.528 -0.240
41 HA GLU 10 HA GLU 10 -2.038 -12.348 -2.986
42 HB2 GLU 10 1HB GLU 10 -4.052 -13.785 -2.891
43 HB3 GLU 10 2HB GLU 10 -2.847 -14.221 -1.687
44 HG2 GLU 10 1HG GLU 10 -5.105 -12.395 -0.984
45 HG3 GLU 10 2HG GLU 10 -5.332 -14.142 -1.013
46 H LYS 11 H LYS 11 -2.331 -9.738 -2.812
47 HA LYS 11 HA LYS 11 -4.951 -9.258 -4.037
48 HB2 LYS 11 1HB LYS 11 -3.767 -7.833 -1.691
49 HB3 LYS 11 2HB LYS 11 -4.737 -6.917 -2.836
50 HG2 LYS 11 1HG LYS 11 -6.546 -8.649 -2.490
51 HG3 LYS 11 2HG LYS 11 -5.583 -9.240 -1.133
52 HD2 LYS 11 1HD LYS 11 -5.909 -7.315 0.106
53 HD3 LYS 11 2HD LYS 11 -6.257 -6.334 -1.319
54 HE2 LYS 11 1HE LYS 11 -8.303 -6.642 -0.131
55 HE3 LYS 11 2HE LYS 11 -8.378 -7.627 -1.591
56 HZ1 LYS 11 3HZ LYS 11 -7.842 -8.561 1.174
57 HZ2 LYS 11 1HZ LYS 11 -7.673 -9.539 -0.196
58 HZ3 LYS 11 2HZ LYS 11 -9.190 -8.916 0.216
59 HA PRO 12 HA PRO 12 -2.551 -7.268 -7.145
60 HB2 PRO 12 1HB PRO 12 -4.480 -5.711 -8.251
61 HB3 PRO 12 2HB PRO 12 -4.405 -7.461 -8.488
62 HG2 PRO 12 1HG PRO 12 -6.101 -5.877 -6.598
63 HG3 PRO 12 2HG PRO 12 -6.549 -7.263 -7.610
64 HD2 PRO 12 1HD PRO 12 -6.015 -7.502 -4.966
65 HD3 PRO 12 2HD PRO 12 -5.654 -8.790 -6.133
66 H TYR 13 H TYR 13 -4.685 -5.189 -5.202
67 HA TYR 13 HA TYR 13 -2.901 -2.919 -5.632
68 HB2 TYR 13 1HB TYR 13 -4.629 -1.578 -4.586
69 HB3 TYR 13 2HB TYR 13 -5.356 -2.605 -5.817
70 HD1 TYR 13 HD2 TYR 13 -6.624 -4.649 -5.108
71 HD2 TYR 13 HD1 TYR 13 -5.293 -1.727 -2.317
72 HE1 TYR 13 HE2 TYR 13 -8.219 -5.516 -3.449
73 HE2 TYR 13 HE1 TYR 13 -6.884 -2.586 -0.650
74 HH TYR 13 HH TYR 13 -9.433 -4.502 -1.357
75 H LYS 14 H LYS 14 -1.418 -4.577 -4.318
76 HA LYS 14 HA LYS 14 -1.638 -3.882 -1.464
77 HB2 LYS 14 1HB LYS 14 -1.635 -6.349 -2.249
78 HB3 LYS 14 2HB LYS 14 0.081 -6.101 -2.542
79 HG2 LYS 14 1HG LYS 14 0.424 -5.537 -0.208
80 HG3 LYS 14 2HG LYS 14 -1.305 -5.704 0.103
81 HD2 LYS 14 1HD LYS 14 -0.525 -7.759 0.789
82 HD3 LYS 14 2HD LYS 14 -0.951 -8.099 -0.890
83 HE2 LYS 14 1HE LYS 14 1.805 -7.149 -0.305
84 HE3 LYS 14 2HE LYS 14 1.389 -8.804 0.136
85 HZ1 LYS 14 3HZ LYS 14 0.528 -8.096 -2.507
86 HZ2 LYS 14 1HZ LYS 14 1.417 -9.437 -1.984
87 HZ3 LYS 14 2HZ LYS 14 2.205 -7.978 -2.316
88 H CYS 15 H CYS 15 0.250 -3.255 -0.335
89 HA CYS 15 HA CYS 15 1.985 -1.567 -1.827
90 HB2 CYS 15 1HB CYS 15 1.213 -1.255 0.587
91 HB3 CYS 15 2HB CYS 15 2.424 -2.457 1.022
92 H MET 16 H MET 16 3.703 -2.166 -2.954
93 HA MET 16 HA MET 16 4.935 -4.754 -2.470
94 HB2 MET 16 1HB MET 16 6.150 -4.340 -4.551
95 HB3 MET 16 2HB MET 16 4.423 -4.096 -4.774
96 HG2 MET 16 1HG MET 16 4.717 -1.697 -4.662
97 HG3 MET 16 2HG MET 16 6.437 -1.903 -4.342
98 HE1 MET 16 3HE MET 16 5.844 0.045 -6.429
99 HE2 MET 16 1HE MET 16 5.640 -0.479 -8.101
100 HE3 MET 16 2HE MET 16 4.296 -0.608 -6.967
101 H GLU 17 H GLU 17 5.727 -1.332 -2.268
102 HA GLU 17 HA GLU 17 8.412 -1.259 -1.992
103 HB2 GLU 17 1HB GLU 17 6.740 0.638 -1.679
104 HB3 GLU 17 2HB GLU 17 6.621 0.126 -0.002
105 HG2 GLU 17 1HG GLU 17 8.908 0.628 0.400
106 HG3 GLU 17 2HG GLU 17 9.215 0.882 -1.317
107 H CYS 18 H CYS 18 6.129 -2.289 0.516
108 HA CYS 18 HA CYS 18 8.409 -3.364 2.043
109 HB2 CYS 18 1HB CYS 18 7.100 -3.100 4.060
110 HB3 CYS 18 2HB CYS 18 7.138 -1.565 3.200
111 H GLY 19 H GLY 19 5.017 -3.944 1.155
112 HA2 GLY 19 1HA GLY 19 4.253 -6.043 0.334
113 HA3 GLY 19 2HA GLY 19 5.596 -6.821 1.158
114 H LYS 20 H LYS 20 3.216 -4.513 2.417
115 HA LYS 20 HA LYS 20 2.511 -6.503 4.463
116 HB2 LYS 20 1HB LYS 20 3.426 -4.412 5.337
117 HB3 LYS 20 2HB LYS 20 2.197 -3.495 4.476
118 HG2 LYS 20 1HG LYS 20 0.476 -4.300 5.870
119 HG3 LYS 20 2HG LYS 20 1.512 -5.557 6.549
120 HD2 LYS 20 1HD LYS 20 2.905 -3.829 7.596
121 HD3 LYS 20 2HD LYS 20 1.853 -2.580 6.926
122 HE2 LYS 20 1HE LYS 20 0.988 -4.749 8.836
123 HE3 LYS 20 2HE LYS 20 1.351 -3.085 9.288
124 HZ1 LYS 20 3HZ LYS 20 -1.017 -3.402 9.028
125 HZ2 LYS 20 1HZ LYS 20 -0.807 -3.958 7.444
126 HZ3 LYS 20 2HZ LYS 20 -0.446 -2.352 7.831
127 H ALA 21 H ALA 21 0.419 -7.111 4.804
128 HA ALA 21 HA ALA 21 -1.476 -6.427 2.697
129 HB1 ALA 21 3HB ALA 21 -2.838 -8.260 3.915
130 HB2 ALA 21 1HB ALA 21 -1.417 -8.725 2.979
131 HB3 ALA 21 2HB ALA 21 -1.317 -8.610 4.736
132 H PHE 22 H PHE 22 -3.525 -5.585 3.065
133 HA PHE 22 HA PHE 22 -4.084 -4.604 5.777
134 HB2 PHE 22 1HB PHE 22 -4.523 -2.942 3.293
135 HB3 PHE 22 2HB PHE 22 -4.696 -2.431 4.969
136 HD1 PHE 22 HD1 PHE 22 -2.310 -3.272 2.312
137 HD2 PHE 22 HD2 PHE 22 -2.795 -1.809 6.280
138 HE1 PHE 22 HE1 PHE 22 0.028 -2.505 2.311
139 HE2 PHE 22 HE2 PHE 22 -0.458 -1.039 6.285
140 HZ PHE 22 HZ PHE 22 0.957 -1.386 4.299
141 H GLY 23 H GLY 23 -6.162 -4.789 6.424
142 HA2 GLY 23 1HA GLY 23 -7.930 -6.489 5.107
143 HA3 GLY 23 2HA GLY 23 -8.380 -5.380 6.394
144 H ASP 24 H ASP 24 -8.214 -2.947 5.423
145 HA ASP 24 HA ASP 24 -9.944 -2.984 3.037
146 HB2 ASP 24 1HB ASP 24 -10.908 -2.197 5.286
147 HB3 ASP 24 2HB ASP 24 -9.892 -0.773 5.081
148 H ASN 25 H ASN 25 -9.788 -1.135 1.600
149 HA ASN 25 HA ASN 25 -7.098 -0.520 0.950
150 HB2 ASN 25 1HB ASN 25 -9.257 -0.634 -0.551
151 HB3 ASN 25 2HB ASN 25 -9.384 1.075 -0.144
152 HD21 ASN 25 1HD2 ASN 25 -8.995 0.072 -2.735
153 HD22 ASN 25 2HD2 ASN 25 -7.449 0.605 -3.293
154 H SER 26 H SER 26 -9.730 1.365 2.389
155 HA SER 26 HA SER 26 -8.694 3.878 2.460
156 HB2 SER 26 1HB SER 26 -10.256 2.376 4.558
157 HB3 SER 26 2HB SER 26 -9.836 4.078 4.749
158 HG SER 26 HG SER 26 -10.818 4.068 2.422
159 H SER 27 H SER 27 -8.072 1.369 4.914
160 HA SER 27 HA SER 27 -6.333 2.763 6.535
161 HB2 SER 27 1HB SER 27 -5.536 0.639 7.329
162 HB3 SER 27 2HB SER 27 -7.247 0.451 6.945
163 HG SER 27 HG SER 27 -4.996 -0.479 5.524
164 H CYS 28 H CYS 28 -5.544 0.837 3.655
165 HA CYS 28 HA CYS 28 -2.769 1.201 3.732
166 HB2 CYS 28 1HB CYS 28 -4.055 -0.433 2.292
167 HB3 CYS 28 2HB CYS 28 -4.426 0.915 1.224
168 HG CYS 28 HG CYS 28 -1.199 0.899 1.714
169 H THR 29 H THR 29 -5.237 2.994 1.892
170 HA THR 29 HA THR 29 -3.862 4.783 0.472
171 HB THR 29 HB THR 29 -6.079 5.688 2.314
172 HG1 THR 29 HG1 THR 29 -7.314 5.105 0.267
173 HG21 THR 29 3HG2 THR 29 -5.442 7.615 1.264
174 HG22 THR 29 1HG2 THR 29 -6.529 6.978 0.031
175 HG23 THR 29 2HG2 THR 29 -4.786 6.766 -0.135
176 H GLN 30 H GLN 30 -4.071 4.776 3.977
177 HA GLN 30 HA GLN 30 -2.617 7.267 4.222
178 HB2 GLN 30 1HB GLN 30 -4.100 7.094 5.973
179 HB3 GLN 30 2HB GLN 30 -3.905 5.351 6.107
180 HG2 GLN 30 1HG GLN 30 -2.967 6.348 8.049
181 HG3 GLN 30 2HG GLN 30 -1.642 5.741 7.058
182 HE21 GLN 30 1HE2 GLN 30 -2.258 8.091 9.050
183 HE22 GLN 30 2HE2 GLN 30 -1.425 9.414 8.315
184 H HIS 31 H HIS 31 -2.035 3.830 4.889
185 HA HIS 31 HA HIS 31 0.406 3.811 6.040
186 HB2 HIS 31 1HB HIS 31 -0.517 1.706 5.598
187 HB3 HIS 31 2HB HIS 31 -0.736 2.055 3.886
188 HD1 HIS 31 HD1 HIS 31 1.725 0.752 6.333
189 HD2 HIS 31 HD2 HIS 31 1.604 1.766 2.306
190 HE1 HIS 31 HE1 HIS 31 3.808 -0.236 5.328
191 H GLN 32 H GLN 32 -0.253 4.474 2.637
192 HA GLN 32 HA GLN 32 2.271 4.441 1.563
193 HB2 GLN 32 1HB GLN 32 0.025 4.969 0.436
194 HB3 GLN 32 2HB GLN 32 0.314 6.635 0.918
195 HG2 GLN 32 1HG GLN 32 1.061 6.456 -1.302
196 HG3 GLN 32 2HG GLN 32 2.512 6.485 -0.300
197 HE21 GLN 32 1HE2 GLN 32 0.949 4.938 -2.787
198 HE22 GLN 32 2HE2 GLN 32 1.860 3.470 -2.812
199 H ARG 33 H ARG 33 0.734 7.068 3.378
200 HA ARG 33 HA ARG 33 2.569 9.078 3.098
201 HB2 ARG 33 1HB ARG 33 0.789 8.241 5.343
202 HB3 ARG 33 2HB ARG 33 1.975 9.504 5.641
203 HG2 ARG 33 1HG ARG 33 0.245 9.754 3.242
204 HG3 ARG 33 2HG ARG 33 -0.471 10.053 4.827
205 HD2 ARG 33 1HD ARG 33 1.512 11.602 5.241
206 HD3 ARG 33 2HD ARG 33 1.822 11.479 3.509
207 HE ARG 33 HE ARG 33 -0.869 12.187 3.935
208 HH11 ARG 33 1HH1 ARG 33 2.344 13.501 4.195
209 HH12 ARG 33 2HH1 ARG 33 1.837 15.137 3.937
210 HH21 ARG 33 1HH2 ARG 33 -1.549 14.337 3.593
211 HH22 ARG 33 2HH2 ARG 33 -0.378 15.611 3.595
212 H LEU 34 H LEU 34 2.701 6.407 5.441
213 HA LEU 34 HA LEU 34 5.054 7.149 6.741
214 HB2 LEU 34 1HB LEU 34 4.983 5.106 7.753
215 HB3 LEU 34 2HB LEU 34 3.318 5.238 7.189
216 HG LEU 34 HG LEU 34 4.330 3.940 5.101
217 HD11 LEU 34 1HD1 LEU 34 6.069 2.461 5.612
218 HD12 LEU 34 2HD1 LEU 34 5.970 2.797 7.339
219 HD13 LEU 34 3HD1 LEU 34 6.613 4.016 6.240
220 HD21 LEU 34 3HD2 LEU 34 2.519 2.954 6.114
221 HD22 LEU 34 1HD2 LEU 34 3.265 2.971 7.713
222 HD23 LEU 34 2HD2 LEU 34 3.792 1.797 6.507
223 H HIS 35 H HIS 35 4.550 5.731 3.623
224 HA HIS 35 HA HIS 35 7.308 4.890 3.329
225 HB2 HIS 35 1HB HIS 35 4.823 4.678 1.707
226 HB3 HIS 35 2HB HIS 35 6.356 4.646 0.841
227 HD1 HIS 35 HD1 HIS 35 7.787 3.050 3.286
228 HD2 HIS 35 HD2 HIS 35 4.374 1.961 1.183
229 HE1 HIS 35 HE1 HIS 35 7.601 0.556 3.550
230 H THR 36 H THR 36 6.214 7.800 3.597
231 HA THR 36 HA THR 36 7.582 8.909 1.238
232 HB THR 36 HB THR 36 5.654 10.296 3.111
233 HG1 THR 36 HG1 THR 36 5.139 9.719 0.398
234 HG21 THR 36 3HG2 THR 36 7.266 11.191 0.765
235 HG22 THR 36 1HG2 THR 36 6.905 12.037 2.269
236 HG23 THR 36 2HG2 THR 36 5.668 11.891 1.020
237 H GLY 37 H GLY 37 9.670 8.548 2.201
238 HA2 GLY 37 1HA GLY 37 10.808 10.779 3.384
239 HA3 GLY 37 2HA GLY 37 10.400 9.690 4.702
240 H GLN 38 H GLN 38 12.364 9.000 5.351
241 HA GLN 38 HA GLN 38 14.251 8.020 3.338
242 HB2 GLN 38 1HB GLN 38 15.122 9.595 4.998
243 HB3 GLN 38 2HB GLN 38 14.621 8.520 6.296
244 HG2 GLN 38 1HG GLN 38 16.901 8.130 6.075
245 HG3 GLN 38 2HG GLN 38 16.148 6.787 5.216
246 HE21 GLN 38 1HE2 GLN 38 16.811 6.388 3.225
247 HE22 GLN 38 2HE2 GLN 38 17.731 7.461 2.232
248 H ARG 39 H ARG 39 12.789 6.986 6.415
249 HA ARG 39 HA ARG 39 12.208 4.927 7.195
250 HB2 ARG 39 1HB ARG 39 11.250 4.687 4.874
251 HB3 ARG 39 2HB ARG 39 12.750 3.895 4.411
252 HG2 ARG 39 1HG ARG 39 12.273 1.994 5.575
253 HG3 ARG 39 2HG ARG 39 11.285 2.841 6.767
254 HD2 ARG 39 1HD ARG 39 9.765 1.577 5.497
255 HD3 ARG 39 2HD ARG 39 9.620 3.225 4.886
256 HE ARG 39 HE ARG 39 10.464 2.524 2.868
257 HH11 ARG 39 1HH1 ARG 39 10.946 0.042 5.262
258 HH12 ARG 39 2HH1 ARG 39 11.450 -1.152 4.112
259 HH21 ARG 39 1HH2 ARG 39 11.125 0.961 1.344
260 HH22 ARG 39 2HH2 ARG 39 11.552 -0.628 1.884
261 HA PRO 40 HA PRO 40 16.841 3.982 7.137
262 HB2 PRO 40 1HB PRO 40 17.404 4.967 9.604
263 HB3 PRO 40 2HB PRO 40 17.487 5.948 8.136
264 HG2 PRO 40 1HG PRO 40 15.306 5.778 10.180
265 HG3 PRO 40 2HG PRO 40 15.983 7.210 9.383
266 HD2 PRO 40 1HD PRO 40 13.645 6.082 8.612
267 HD3 PRO 40 2HD PRO 40 14.739 6.888 7.470
268 H SER 41 H SER 41 14.668 3.939 9.967
269 HA SER 41 HA SER 41 15.413 1.120 10.381
270 HB2 SER 41 1HB SER 41 15.232 1.497 12.824
271 HB3 SER 41 2HB SER 41 16.513 2.467 12.096
272 HG SER 41 HG SER 41 14.589 4.068 11.948
273 H GLY 42 H GLY 42 13.779 -0.032 11.803
274 HA2 GLY 42 1HA GLY 42 11.171 0.897 12.184
275 HA3 GLY 42 2HA GLY 42 11.231 0.139 10.599
276 HA PRO 43 HA PRO 43 12.151 -3.246 13.969
277 HB2 PRO 43 1HB PRO 43 11.278 -2.624 16.464
278 HB3 PRO 43 2HB PRO 43 12.918 -2.276 15.905
279 HG2 PRO 43 1HG PRO 43 10.552 -0.452 16.085
280 HG3 PRO 43 2HG PRO 43 12.240 -0.141 16.528
281 HD2 PRO 43 1HD PRO 43 11.162 0.724 14.200
282 HD3 PRO 43 2HD PRO 43 12.869 0.262 14.347
283 H SER 44 H SER 44 10.542 -4.364 12.908
284 HA SER 44 HA SER 44 8.096 -4.764 14.346
285 HB2 SER 44 1HB SER 44 8.102 -3.230 11.771
286 HB3 SER 44 2HB SER 44 6.745 -4.292 12.146
287 HG SER 44 HG SER 44 6.358 -2.193 12.912
288 H SER 45 H SER 45 7.338 -6.781 14.025
289 HA SER 45 HA SER 45 8.504 -8.323 11.800
290 HB2 SER 45 1HB SER 45 7.918 -9.150 14.643
291 HB3 SER 45 2HB SER 45 8.201 -10.322 13.356
292 HG SER 45 HG SER 45 10.123 -9.821 14.484
293 H GLY 46 H GLY 46 6.961 -8.568 10.310
294 HA2 GLY 46 1HA GLY 46 5.068 -9.800 9.555
295 HA3 GLY 46 2HA GLY 46 4.397 -9.706 11.177
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -27.351 -26.533 -0.943
2 HA2 GLY 1 1HA GLY 1 -26.957 -24.071 0.564
3 HA3 GLY 1 2HA GLY 1 -25.792 -25.353 0.862
4 H SER 2 H SER 2 -24.578 -23.263 0.030
5 HA SER 2 HA SER 2 -24.081 -23.722 -2.834
6 HB2 SER 2 1HB SER 2 -25.347 -21.526 -2.159
7 HB3 SER 2 2HB SER 2 -23.746 -20.983 -1.657
8 HG SER 2 HG SER 2 -24.746 -21.477 -4.202
9 H SER 3 H SER 3 -21.940 -23.466 -3.527
10 HA SER 3 HA SER 3 -19.950 -23.320 -1.357
11 HB2 SER 3 1HB SER 3 -20.306 -25.607 -2.433
12 HB3 SER 3 2HB SER 3 -19.600 -24.918 -3.895
13 HG SER 3 HG SER 3 -18.325 -24.903 -1.362
14 H GLY 4 H GLY 4 -18.367 -21.862 -1.574
15 HA2 GLY 4 1HA GLY 4 -18.112 -20.518 -4.194
16 HA3 GLY 4 2HA GLY 4 -17.919 -19.697 -2.653
17 H SER 5 H SER 5 -16.274 -20.920 -5.210
18 HA SER 5 HA SER 5 -14.108 -22.308 -4.205
19 HB2 SER 5 1HB SER 5 -14.432 -22.018 -6.595
20 HB3 SER 5 2HB SER 5 -14.170 -20.280 -6.452
21 HG SER 5 HG SER 5 -12.166 -21.951 -5.484
22 H SER 6 H SER 6 -12.598 -21.830 -2.767
23 HA SER 6 HA SER 6 -12.384 -19.273 -1.571
24 HB2 SER 6 1HB SER 6 -10.505 -21.643 -1.414
25 HB3 SER 6 2HB SER 6 -10.467 -20.240 -0.346
26 HG SER 6 HG SER 6 -12.548 -20.802 0.368
27 H GLY 7 H GLY 7 -11.941 -17.804 -3.252
28 HA2 GLY 7 1HA GLY 7 -9.239 -17.171 -3.637
29 HA3 GLY 7 2HA GLY 7 -9.798 -18.034 -5.063
30 H THR 8 H THR 8 -11.554 -15.740 -3.010
31 HA THR 8 HA THR 8 -11.728 -13.926 -5.327
32 HB THR 8 HB THR 8 -14.021 -13.357 -4.692
33 HG1 THR 8 HG1 THR 8 -13.776 -13.925 -2.431
34 HG21 THR 8 3HG2 THR 8 -13.206 -15.651 -5.966
35 HG22 THR 8 1HG2 THR 8 -14.857 -15.034 -5.927
36 HG23 THR 8 2HG2 THR 8 -14.346 -16.260 -4.766
37 H GLY 9 H GLY 9 -9.807 -13.718 -3.269
38 HA2 GLY 9 1HA GLY 9 -10.613 -11.925 -1.220
39 HA3 GLY 9 2HA GLY 9 -8.960 -12.237 -1.728
40 H GLU 10 H GLU 10 -10.352 -9.715 -1.011
41 HA GLU 10 HA GLU 10 -10.305 -8.259 -3.545
42 HB2 GLU 10 1HB GLU 10 -11.123 -7.416 -0.761
43 HB3 GLU 10 2HB GLU 10 -11.134 -6.349 -2.157
44 HG2 GLU 10 1HG GLU 10 -12.765 -7.793 -3.256
45 HG3 GLU 10 2HG GLU 10 -12.751 -8.870 -1.860
46 H LYS 11 H LYS 11 -7.842 -9.075 -3.133
47 HA LYS 11 HA LYS 11 -6.435 -6.651 -2.256
48 HB2 LYS 11 1HB LYS 11 -4.579 -8.380 -1.547
49 HB3 LYS 11 2HB LYS 11 -5.882 -7.956 -0.444
50 HG2 LYS 11 1HG LYS 11 -5.805 -10.254 -0.279
51 HG3 LYS 11 2HG LYS 11 -7.092 -10.001 -1.461
52 HD2 LYS 11 1HD LYS 11 -5.693 -11.750 -2.284
53 HD3 LYS 11 2HD LYS 11 -5.376 -10.315 -3.261
54 HE2 LYS 11 1HE LYS 11 -3.347 -9.875 -2.066
55 HE3 LYS 11 2HE LYS 11 -3.702 -11.146 -0.897
56 HZ1 LYS 11 3HZ LYS 11 -3.339 -11.691 -3.786
57 HZ2 LYS 11 1HZ LYS 11 -3.344 -12.802 -2.510
58 HZ3 LYS 11 2HZ LYS 11 -2.055 -11.721 -2.684
59 HA PRO 12 HA PRO 12 -5.203 -8.358 -6.493
60 HB2 PRO 12 1HB PRO 12 -6.127 -6.275 -7.968
61 HB3 PRO 12 2HB PRO 12 -7.113 -7.690 -7.580
62 HG2 PRO 12 1HG PRO 12 -7.069 -4.995 -6.275
63 HG3 PRO 12 2HG PRO 12 -8.460 -6.005 -6.710
64 HD2 PRO 12 1HD PRO 12 -7.495 -5.865 -4.185
65 HD3 PRO 12 2HD PRO 12 -8.237 -7.338 -4.843
66 H TYR 13 H TYR 13 -4.632 -5.726 -4.474
67 HA TYR 13 HA TYR 13 -2.125 -5.154 -5.857
68 HB2 TYR 13 1HB TYR 13 -2.435 -2.727 -5.637
69 HB3 TYR 13 2HB TYR 13 -3.674 -3.438 -6.666
70 HD1 TYR 13 HD1 TYR 13 -3.009 -2.019 -3.322
71 HD2 TYR 13 HD2 TYR 13 -5.979 -3.326 -6.074
72 HE1 TYR 13 HE1 TYR 13 -4.750 -0.991 -1.922
73 HE2 TYR 13 HE2 TYR 13 -7.728 -2.300 -4.682
74 HH TYR 13 HH TYR 13 -8.081 -0.793 -2.982
75 H LYS 14 H LYS 14 -0.563 -5.434 -4.425
76 HA LYS 14 HA LYS 14 -1.080 -4.721 -1.612
77 HB2 LYS 14 1HB LYS 14 -0.831 -7.095 -1.746
78 HB3 LYS 14 2HB LYS 14 0.587 -6.951 -2.776
79 HG2 LYS 14 1HG LYS 14 1.954 -6.292 -1.015
80 HG3 LYS 14 2HG LYS 14 0.585 -5.833 0.001
81 HD2 LYS 14 1HD LYS 14 1.252 -7.839 0.946
82 HD3 LYS 14 2HD LYS 14 -0.038 -8.350 -0.145
83 HE2 LYS 14 1HE LYS 14 1.557 -9.872 -0.721
84 HE3 LYS 14 2HE LYS 14 1.987 -8.576 -1.836
85 HZ1 LYS 14 3HZ LYS 14 3.362 -7.988 0.447
86 HZ2 LYS 14 1HZ LYS 14 4.005 -8.698 -0.948
87 HZ3 LYS 14 2HZ LYS 14 3.487 -9.672 0.335
88 H CYS 15 H CYS 15 0.532 -3.657 -0.466
89 HA CYS 15 HA CYS 15 2.055 -1.772 -1.800
90 HB2 CYS 15 1HB CYS 15 1.448 -1.649 0.597
91 HB3 CYS 15 2HB CYS 15 2.607 -2.929 0.940
92 H MET 16 H MET 16 4.041 -1.706 -2.683
93 HA MET 16 HA MET 16 5.530 -4.221 -2.811
94 HB2 MET 16 1HB MET 16 5.681 -1.693 -4.455
95 HB3 MET 16 2HB MET 16 6.790 -3.044 -4.649
96 HG2 MET 16 1HG MET 16 5.277 -3.532 -6.273
97 HG3 MET 16 2HG MET 16 4.571 -4.413 -4.921
98 HE1 MET 16 3HE MET 16 2.270 -4.652 -5.527
99 HE2 MET 16 1HE MET 16 1.168 -3.406 -6.115
100 HE3 MET 16 2HE MET 16 2.464 -3.998 -7.154
101 H GLU 17 H GLU 17 5.756 -0.963 -1.613
102 HA GLU 17 HA GLU 17 8.458 -0.592 -1.292
103 HB2 GLU 17 1HB GLU 17 6.245 0.134 0.634
104 HB3 GLU 17 2HB GLU 17 7.882 0.769 0.712
105 HG2 GLU 17 1HG GLU 17 6.164 1.082 -1.726
106 HG3 GLU 17 2HG GLU 17 6.116 2.224 -0.384
107 H CYS 18 H CYS 18 6.281 -2.106 1.095
108 HA CYS 18 HA CYS 18 8.640 -3.420 2.273
109 HB2 CYS 18 1HB CYS 18 7.288 -3.615 4.342
110 HB3 CYS 18 2HB CYS 18 7.537 -1.942 3.852
111 H GLY 19 H GLY 19 5.194 -3.915 1.533
112 HA2 GLY 19 1HA GLY 19 4.527 -5.894 0.303
113 HA3 GLY 19 2HA GLY 19 5.809 -6.771 1.124
114 H LYS 20 H LYS 20 3.255 -4.623 2.356
115 HA LYS 20 HA LYS 20 2.428 -6.811 4.146
116 HB2 LYS 20 1HB LYS 20 2.626 -3.859 4.503
117 HB3 LYS 20 2HB LYS 20 1.347 -4.707 5.361
118 HG2 LYS 20 1HG LYS 20 3.096 -6.222 6.304
119 HG3 LYS 20 2HG LYS 20 4.311 -5.166 5.581
120 HD2 LYS 20 1HD LYS 20 3.730 -3.364 6.963
121 HD3 LYS 20 2HD LYS 20 2.183 -4.090 7.406
122 HE2 LYS 20 1HE LYS 20 3.428 -4.479 9.302
123 HE3 LYS 20 2HE LYS 20 3.682 -5.977 8.408
124 HZ1 LYS 20 3HZ LYS 20 5.732 -4.746 7.488
125 HZ2 LYS 20 1HZ LYS 20 5.802 -5.396 9.048
126 HZ3 LYS 20 2HZ LYS 20 5.546 -3.738 8.833
127 H ALA 21 H ALA 21 0.183 -7.088 4.574
128 HA ALA 21 HA ALA 21 -1.514 -6.196 2.344
129 HB1 ALA 21 3HB ALA 21 -2.870 -8.130 2.718
130 HB2 ALA 21 1HB ALA 21 -1.184 -8.648 2.667
131 HB3 ALA 21 2HB ALA 21 -2.016 -8.503 4.216
132 H PHE 22 H PHE 22 -3.911 -6.068 2.972
133 HA PHE 22 HA PHE 22 -4.424 -5.162 5.673
134 HB2 PHE 22 1HB PHE 22 -4.846 -3.252 3.367
135 HB3 PHE 22 2HB PHE 22 -5.148 -2.937 5.072
136 HD1 PHE 22 HD1 PHE 22 -2.490 -3.586 2.588
137 HD2 PHE 22 HD2 PHE 22 -3.440 -2.165 6.486
138 HE1 PHE 22 HE1 PHE 22 -0.199 -2.720 2.827
139 HE2 PHE 22 HE2 PHE 22 -1.151 -1.296 6.731
140 HZ PHE 22 HZ PHE 22 0.473 -1.572 4.900
141 H GLY 23 H GLY 23 -6.799 -4.265 5.743
142 HA2 GLY 23 1HA GLY 23 -8.426 -6.179 4.198
143 HA3 GLY 23 2HA GLY 23 -8.851 -5.545 5.780
144 H ASP 24 H ASP 24 -8.438 -2.842 5.413
145 HA ASP 24 HA ASP 24 -10.539 -2.213 3.451
146 HB2 ASP 24 1HB ASP 24 -9.738 -0.879 6.035
147 HB3 ASP 24 2HB ASP 24 -10.789 -0.098 4.857
148 H ASN 25 H ASN 25 -10.390 -0.141 2.339
149 HA ASN 25 HA ASN 25 -7.829 0.240 1.177
150 HB2 ASN 25 1HB ASN 25 -10.119 0.630 0.099
151 HB3 ASN 25 2HB ASN 25 -10.135 2.170 0.953
152 HD21 ASN 25 1HD2 ASN 25 -8.948 0.420 -1.720
153 HD22 ASN 25 2HD2 ASN 25 -7.997 1.682 -2.418
154 H SER 26 H SER 26 -9.768 2.147 3.451
155 HA SER 26 HA SER 26 -8.320 4.442 3.669
156 HB2 SER 26 1HB SER 26 -9.827 2.818 5.683
157 HB3 SER 26 2HB SER 26 -8.909 4.222 6.228
158 HG SER 26 HG SER 26 -10.322 5.498 5.317
159 H SER 27 H SER 27 -7.676 1.438 5.471
160 HA SER 27 HA SER 27 -5.432 2.284 6.869
161 HB2 SER 27 1HB SER 27 -4.876 -0.068 7.131
162 HB3 SER 27 2HB SER 27 -6.624 0.133 7.252
163 HG SER 27 HG SER 27 -6.804 -1.174 5.632
164 H CYS 28 H CYS 28 -5.657 0.873 3.628
165 HA CYS 28 HA CYS 28 -2.879 0.745 3.143
166 HB2 CYS 28 1HB CYS 28 -4.865 -0.350 1.861
167 HB3 CYS 28 2HB CYS 28 -4.886 1.154 0.949
168 HG CYS 28 HG CYS 28 -2.197 0.876 0.104
169 H THR 29 H THR 29 -5.307 3.227 2.487
170 HA THR 29 HA THR 29 -3.915 4.972 0.898
171 HB THR 29 HB THR 29 -5.711 5.748 3.205
172 HG1 THR 29 HG1 THR 29 -7.219 4.915 1.990
173 HG21 THR 29 3HG2 THR 29 -4.269 7.303 1.242
174 HG22 THR 29 1HG2 THR 29 -5.214 7.846 2.628
175 HG23 THR 29 2HG2 THR 29 -6.010 7.538 1.085
176 H GLN 30 H GLN 30 -4.133 5.411 4.433
177 HA GLN 30 HA GLN 30 -2.131 7.292 4.686
178 HB2 GLN 30 1HB GLN 30 -2.110 6.814 7.012
179 HB3 GLN 30 2HB GLN 30 -3.755 6.525 6.462
180 HG2 GLN 30 1HG GLN 30 -3.283 4.117 6.370
181 HG3 GLN 30 2HG GLN 30 -1.658 4.429 6.978
182 HE21 GLN 30 1HE2 GLN 30 -3.921 2.878 8.089
183 HE22 GLN 30 2HE2 GLN 30 -4.178 3.520 9.672
184 H HIS 31 H HIS 31 -1.857 3.763 4.764
185 HA HIS 31 HA HIS 31 0.722 3.372 5.525
186 HB2 HIS 31 1HB HIS 31 -0.916 1.601 4.821
187 HB3 HIS 31 2HB HIS 31 -0.521 1.980 3.147
188 HD1 HIS 31 HD1 HIS 31 1.112 0.644 6.289
189 HD2 HIS 31 HD2 HIS 31 1.707 0.726 2.178
190 HE1 HIS 31 HE1 HIS 31 3.056 -0.892 5.861
191 H GLN 32 H GLN 32 -0.242 3.853 2.121
192 HA GLN 32 HA GLN 32 2.228 3.994 0.958
193 HB2 GLN 32 1HB GLN 32 -0.087 4.169 -0.128
194 HB3 GLN 32 2HB GLN 32 0.024 5.895 0.190
195 HG2 GLN 32 1HG GLN 32 2.044 4.340 -1.406
196 HG3 GLN 32 2HG GLN 32 0.689 5.224 -2.106
197 HE21 GLN 32 1HE2 GLN 32 0.560 7.560 -1.349
198 HE22 GLN 32 2HE2 GLN 32 2.050 8.433 -1.318
199 H ARG 33 H ARG 33 0.435 6.705 2.405
200 HA ARG 33 HA ARG 33 2.314 8.705 1.908
201 HB2 ARG 33 1HB ARG 33 -0.058 8.976 2.769
202 HB3 ARG 33 2HB ARG 33 0.565 8.567 4.362
203 HG2 ARG 33 1HG ARG 33 1.679 10.548 4.591
204 HG3 ARG 33 2HG ARG 33 1.881 10.761 2.851
205 HD2 ARG 33 1HD ARG 33 0.306 12.389 3.688
206 HD3 ARG 33 2HD ARG 33 -0.532 11.229 2.658
207 HE ARG 33 HE ARG 33 -0.642 10.465 5.396
208 HH11 ARG 33 1HH1 ARG 33 -2.032 12.630 3.051
209 HH12 ARG 33 2HH1 ARG 33 -3.546 12.768 3.882
210 HH21 ARG 33 1HH2 ARG 33 -2.631 10.638 6.500
211 HH22 ARG 33 2HH2 ARG 33 -3.885 11.635 5.845
212 H LEU 34 H LEU 34 1.933 6.626 4.769
213 HA LEU 34 HA LEU 34 3.909 7.635 6.385
214 HB2 LEU 34 1HB LEU 34 2.904 4.848 5.952
215 HB3 LEU 34 2HB LEU 34 4.204 5.167 7.098
216 HG LEU 34 HG LEU 34 1.596 6.629 7.303
217 HD11 LEU 34 1HD1 LEU 34 0.469 4.870 8.062
218 HD12 LEU 34 2HD1 LEU 34 1.816 4.350 9.074
219 HD13 LEU 34 3HD1 LEU 34 1.749 3.866 7.380
220 HD21 LEU 34 3HD2 LEU 34 3.201 7.557 8.716
221 HD22 LEU 34 1HD2 LEU 34 3.893 5.986 9.119
222 HD23 LEU 34 2HD2 LEU 34 2.317 6.446 9.763
223 H HIS 35 H HIS 35 4.262 5.324 3.724
224 HA HIS 35 HA HIS 35 6.976 4.748 4.046
225 HB2 HIS 35 1HB HIS 35 5.038 4.603 1.795
226 HB3 HIS 35 2HB HIS 35 6.749 4.510 1.392
227 HD1 HIS 35 HD1 HIS 35 8.033 2.404 2.146
228 HD2 HIS 35 HD2 HIS 35 4.007 2.389 3.170
229 HE1 HIS 35 HE1 HIS 35 7.529 0.045 2.857
230 H THR 36 H THR 36 5.377 7.342 2.245
231 HA THR 36 HA THR 36 7.873 8.443 1.311
232 HB THR 36 HB THR 36 5.094 9.634 1.220
233 HG1 THR 36 HG1 THR 36 5.588 8.941 -1.133
234 HG21 THR 36 3HG2 THR 36 7.730 10.461 0.062
235 HG22 THR 36 1HG2 THR 36 6.511 11.443 0.874
236 HG23 THR 36 2HG2 THR 36 6.227 10.864 -0.768
237 H GLY 37 H GLY 37 9.160 9.225 2.895
238 HA2 GLY 37 1HA GLY 37 8.938 11.691 3.975
239 HA3 GLY 37 2HA GLY 37 8.065 10.697 5.132
240 H GLN 38 H GLN 38 9.185 9.263 6.443
241 HA GLN 38 HA GLN 38 10.945 8.795 7.838
242 HB2 GLN 38 1HB GLN 38 11.795 8.063 5.072
243 HB3 GLN 38 2HB GLN 38 12.972 7.933 6.372
244 HG2 GLN 38 1HG GLN 38 11.806 6.258 7.444
245 HG3 GLN 38 2HG GLN 38 10.277 6.692 6.681
246 HE21 GLN 38 1HE2 GLN 38 12.290 4.275 6.835
247 HE22 GLN 38 2HE2 GLN 38 12.246 3.672 5.217
248 H ARG 39 H ARG 39 10.769 11.533 7.422
249 HA ARG 39 HA ARG 39 12.969 12.895 6.503
250 HB2 ARG 39 1HB ARG 39 11.072 13.411 8.766
251 HB3 ARG 39 2HB ARG 39 12.434 14.492 8.501
252 HG2 ARG 39 1HG ARG 39 10.403 13.817 6.387
253 HG3 ARG 39 2HG ARG 39 10.290 15.219 7.454
254 HD2 ARG 39 1HD ARG 39 12.716 15.689 6.599
255 HD3 ARG 39 2HD ARG 39 12.232 14.649 5.259
256 HE ARG 39 HE ARG 39 10.397 16.798 5.869
257 HH11 ARG 39 1HH1 ARG 39 13.144 15.761 3.998
258 HH12 ARG 39 2HH1 ARG 39 12.915 16.950 2.759
259 HH21 ARG 39 1HH2 ARG 39 10.085 18.369 4.244
260 HH22 ARG 39 2HH2 ARG 39 11.175 18.434 2.901
261 HA PRO 40 HA PRO 40 16.371 11.690 9.021
262 HB2 PRO 40 1HB PRO 40 17.942 13.882 8.710
263 HB3 PRO 40 2HB PRO 40 17.704 12.682 7.435
264 HG2 PRO 40 1HG PRO 40 16.384 15.344 7.801
265 HG3 PRO 40 2HG PRO 40 17.014 14.602 6.318
266 HD2 PRO 40 1HD PRO 40 14.378 14.605 6.940
267 HD3 PRO 40 2HD PRO 40 15.144 13.284 6.034
268 H SER 41 H SER 41 17.288 12.043 11.046
269 HA SER 41 HA SER 41 15.816 13.917 12.737
270 HB2 SER 41 1HB SER 41 17.704 11.675 13.500
271 HB3 SER 41 2HB SER 41 16.736 12.633 14.620
272 HG SER 41 HG SER 41 16.028 10.454 13.250
273 H GLY 42 H GLY 42 16.820 15.868 12.202
274 HA2 GLY 42 1HA GLY 42 18.347 17.556 12.507
275 HA3 GLY 42 2HA GLY 42 19.090 16.544 13.737
276 HA PRO 43 HA PRO 43 21.178 15.610 9.439
277 HB2 PRO 43 1HB PRO 43 20.969 17.632 7.640
278 HB3 PRO 43 2HB PRO 43 19.819 16.293 7.716
279 HG2 PRO 43 1HG PRO 43 19.579 19.061 8.829
280 HG3 PRO 43 2HG PRO 43 18.366 18.090 7.975
281 HD2 PRO 43 1HD PRO 43 18.390 18.350 10.670
282 HD3 PRO 43 2HD PRO 43 17.831 16.873 9.858
283 H SER 44 H SER 44 23.268 16.280 8.758
284 HA SER 44 HA SER 44 24.348 18.505 10.353
285 HB2 SER 44 1HB SER 44 25.199 16.096 10.679
286 HB3 SER 44 2HB SER 44 25.993 16.302 9.118
287 HG SER 44 HG SER 44 27.168 18.004 9.971
288 H SER 45 H SER 45 24.002 20.190 8.931
289 HA SER 45 HA SER 45 25.234 19.985 6.273
290 HB2 SER 45 1HB SER 45 23.909 21.930 5.663
291 HB3 SER 45 2HB SER 45 22.858 20.715 6.390
292 HG SER 45 HG SER 45 22.992 23.171 7.104
293 H GLY 46 H GLY 46 27.038 20.154 8.326
294 HA2 GLY 46 1HA GLY 46 28.858 21.352 9.050
295 HA3 GLY 46 2HA GLY 46 28.656 22.296 7.581
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -4.205 -20.992 -5.957
2 HA2 GLY 1 1HA GLY 1 -6.407 -20.339 -7.819
3 HA3 GLY 1 2HA GLY 1 -5.383 -19.119 -7.076
4 H SER 2 H SER 2 -3.119 -19.067 -7.683
5 HA SER 2 HA SER 2 -2.590 -18.855 -10.311
6 HB2 SER 2 1HB SER 2 -0.765 -19.672 -8.060
7 HB3 SER 2 2HB SER 2 -0.153 -19.456 -9.700
8 HG SER 2 HG SER 2 -1.396 -17.320 -9.445
9 H SER 3 H SER 3 -3.136 -20.274 -11.845
10 HA SER 3 HA SER 3 -3.460 -22.964 -11.736
11 HB2 SER 3 1HB SER 3 -3.745 -21.288 -13.725
12 HB3 SER 3 2HB SER 3 -2.118 -21.810 -14.160
13 HG SER 3 HG SER 3 -4.276 -23.590 -13.696
14 H GLY 4 H GLY 4 -0.423 -21.392 -12.769
15 HA2 GLY 4 1HA GLY 4 1.129 -23.431 -11.427
16 HA3 GLY 4 2HA GLY 4 1.209 -23.504 -13.181
17 H SER 5 H SER 5 1.358 -20.972 -10.670
18 HA SER 5 HA SER 5 3.989 -20.183 -11.590
19 HB2 SER 5 1HB SER 5 1.689 -18.218 -11.710
20 HB3 SER 5 2HB SER 5 3.379 -17.868 -12.067
21 HG SER 5 HG SER 5 2.191 -18.250 -13.972
22 H SER 6 H SER 6 4.751 -18.213 -10.275
23 HA SER 6 HA SER 6 4.136 -18.778 -7.488
24 HB2 SER 6 1HB SER 6 6.121 -17.421 -6.990
25 HB3 SER 6 2HB SER 6 6.493 -18.654 -8.195
26 HG SER 6 HG SER 6 7.122 -16.264 -8.495
27 H GLY 7 H GLY 7 2.030 -17.533 -8.793
28 HA2 GLY 7 1HA GLY 7 0.549 -15.918 -7.863
29 HA3 GLY 7 2HA GLY 7 1.942 -14.995 -7.319
30 H THR 8 H THR 8 -0.509 -14.413 -9.048
31 HA THR 8 HA THR 8 0.130 -13.957 -11.687
32 HB THR 8 HB THR 8 -1.457 -11.990 -11.556
33 HG1 THR 8 HG1 THR 8 -1.809 -11.218 -9.626
34 HG21 THR 8 3HG2 THR 8 -2.688 -14.352 -10.193
35 HG22 THR 8 1HG2 THR 8 -2.034 -14.520 -11.822
36 HG23 THR 8 2HG2 THR 8 -3.325 -13.360 -11.504
37 H GLY 9 H GLY 9 0.727 -11.808 -8.914
38 HA2 GLY 9 1HA GLY 9 3.157 -10.845 -9.440
39 HA3 GLY 9 2HA GLY 9 2.196 -9.953 -10.610
40 H GLU 10 H GLU 10 2.637 -7.961 -9.654
41 HA GLU 10 HA GLU 10 2.393 -7.342 -6.946
42 HB2 GLU 10 1HB GLU 10 2.164 -5.000 -7.678
43 HB3 GLU 10 2HB GLU 10 3.466 -5.831 -8.517
44 HG2 GLU 10 1HG GLU 10 1.574 -6.268 -10.299
45 HG3 GLU 10 2HG GLU 10 0.871 -4.834 -9.553
46 H LYS 11 H LYS 11 0.740 -6.364 -5.736
47 HA LYS 11 HA LYS 11 -1.968 -6.892 -6.767
48 HB2 LYS 11 1HB LYS 11 -1.020 -6.778 -3.898
49 HB3 LYS 11 2HB LYS 11 -2.662 -7.123 -4.423
50 HG2 LYS 11 1HG LYS 11 -0.425 -8.831 -5.404
51 HG3 LYS 11 2HG LYS 11 -1.048 -9.060 -3.769
52 HD2 LYS 11 1HD LYS 11 -3.326 -9.302 -4.729
53 HD3 LYS 11 2HD LYS 11 -2.616 -9.211 -6.342
54 HE2 LYS 11 1HE LYS 11 -1.617 -11.222 -4.365
55 HE3 LYS 11 2HE LYS 11 -3.097 -11.532 -5.272
56 HZ1 LYS 11 3HZ LYS 11 -1.966 -11.617 -7.259
57 HZ2 LYS 11 1HZ LYS 11 -0.841 -12.322 -6.210
58 HZ3 LYS 11 2HZ LYS 11 -0.654 -10.712 -6.693
59 HA PRO 12 HA PRO 12 -2.868 -2.590 -6.572
60 HB2 PRO 12 1HB PRO 12 -5.565 -2.713 -6.285
61 HB3 PRO 12 2HB PRO 12 -4.744 -3.076 -7.808
62 HG2 PRO 12 1HG PRO 12 -5.789 -4.955 -5.725
63 HG3 PRO 12 2HG PRO 12 -5.907 -5.064 -7.491
64 HD2 PRO 12 1HD PRO 12 -4.086 -6.470 -6.062
65 HD3 PRO 12 2HD PRO 12 -3.765 -5.888 -7.708
66 H TYR 13 H TYR 13 -3.985 -4.749 -4.044
67 HA TYR 13 HA TYR 13 -4.130 -2.460 -2.195
68 HB2 TYR 13 1HB TYR 13 -5.457 -4.210 -0.778
69 HB3 TYR 13 2HB TYR 13 -6.259 -3.376 -2.104
70 HD1 TYR 13 HD1 TYR 13 -3.946 -6.309 -2.068
71 HD2 TYR 13 HD2 TYR 13 -7.820 -4.824 -3.010
72 HE1 TYR 13 HE1 TYR 13 -4.526 -8.478 -3.072
73 HE2 TYR 13 HE2 TYR 13 -8.412 -6.989 -4.016
74 HH TYR 13 HH TYR 13 -6.058 -9.644 -4.178
75 H LYS 14 H LYS 14 -1.646 -3.454 -2.777
76 HA LYS 14 HA LYS 14 -0.874 -4.574 -0.192
77 HB2 LYS 14 1HB LYS 14 -1.105 -6.440 -1.891
78 HB3 LYS 14 2HB LYS 14 0.228 -5.699 -2.766
79 HG2 LYS 14 1HG LYS 14 1.341 -7.268 -1.534
80 HG3 LYS 14 2HG LYS 14 1.446 -5.874 -0.456
81 HD2 LYS 14 1HD LYS 14 -0.448 -6.692 0.825
82 HD3 LYS 14 2HD LYS 14 -0.640 -8.050 -0.287
83 HE2 LYS 14 1HE LYS 14 1.941 -7.592 1.168
84 HE3 LYS 14 2HE LYS 14 0.599 -8.433 1.944
85 HZ1 LYS 14 3HZ LYS 14 0.756 -9.687 -0.427
86 HZ2 LYS 14 1HZ LYS 14 1.493 -10.232 0.995
87 HZ3 LYS 14 2HZ LYS 14 2.386 -9.340 -0.131
88 H CYS 15 H CYS 15 0.583 -3.244 0.639
89 HA CYS 15 HA CYS 15 1.870 -1.198 -0.773
90 HB2 CYS 15 1HB CYS 15 1.548 -1.039 1.618
91 HB3 CYS 15 2HB CYS 15 2.549 -2.462 1.888
92 H MET 16 H MET 16 3.166 -1.660 -2.453
93 HA MET 16 HA MET 16 4.845 -3.927 -2.623
94 HB2 MET 16 1HB MET 16 3.923 -2.382 -4.498
95 HB3 MET 16 2HB MET 16 5.346 -1.402 -4.168
96 HG2 MET 16 1HG MET 16 6.811 -3.112 -4.827
97 HG3 MET 16 2HG MET 16 5.539 -4.331 -4.776
98 HE1 MET 16 3HE MET 16 7.765 -2.598 -6.532
99 HE2 MET 16 1HE MET 16 7.360 -3.123 -8.167
100 HE3 MET 16 2HE MET 16 7.001 -1.474 -7.656
101 H GLU 17 H GLU 17 5.441 -0.563 -1.705
102 HA GLU 17 HA GLU 17 8.099 -0.300 -1.601
103 HB2 GLU 17 1HB GLU 17 5.961 0.524 0.295
104 HB3 GLU 17 2HB GLU 17 7.626 0.704 0.829
105 HG2 GLU 17 1HG GLU 17 6.504 1.861 -1.712
106 HG3 GLU 17 2HG GLU 17 6.699 2.743 -0.198
107 H CYS 18 H CYS 18 6.259 -1.958 0.963
108 HA CYS 18 HA CYS 18 8.750 -3.336 1.725
109 HB2 CYS 18 1HB CYS 18 7.869 -3.516 3.983
110 HB3 CYS 18 2HB CYS 18 7.857 -1.830 3.476
111 H GLY 19 H GLY 19 5.229 -3.700 1.441
112 HA2 GLY 19 1HA GLY 19 4.429 -5.666 0.210
113 HA3 GLY 19 2HA GLY 19 5.678 -6.591 1.030
114 H LYS 20 H LYS 20 3.199 -4.290 2.153
115 HA LYS 20 HA LYS 20 2.391 -6.298 4.148
116 HB2 LYS 20 1HB LYS 20 3.276 -4.044 4.920
117 HB3 LYS 20 2HB LYS 20 1.813 -3.338 4.246
118 HG2 LYS 20 1HG LYS 20 1.153 -3.602 6.404
119 HG3 LYS 20 2HG LYS 20 0.654 -5.166 5.755
120 HD2 LYS 20 1HD LYS 20 3.417 -4.912 6.824
121 HD3 LYS 20 2HD LYS 20 2.083 -4.962 7.979
122 HE2 LYS 20 1HE LYS 20 1.302 -7.027 6.651
123 HE3 LYS 20 2HE LYS 20 2.936 -7.036 5.987
124 HZ1 LYS 20 3HZ LYS 20 2.108 -7.387 8.806
125 HZ2 LYS 20 1HZ LYS 20 3.701 -7.005 8.383
126 HZ3 LYS 20 2HZ LYS 20 3.003 -8.445 7.836
127 H ALA 21 H ALA 21 0.201 -6.719 4.507
128 HA ALA 21 HA ALA 21 -1.580 -5.865 2.320
129 HB1 ALA 21 3HB ALA 21 -2.787 -8.081 3.329
130 HB2 ALA 21 1HB ALA 21 -1.686 -8.075 1.951
131 HB3 ALA 21 2HB ALA 21 -1.084 -8.475 3.560
132 H PHE 22 H PHE 22 -3.729 -5.333 2.798
133 HA PHE 22 HA PHE 22 -4.479 -5.131 5.617
134 HB2 PHE 22 1HB PHE 22 -4.423 -2.804 3.687
135 HB3 PHE 22 2HB PHE 22 -5.263 -2.776 5.235
136 HD1 PHE 22 HD2 PHE 22 -4.005 -2.805 7.332
137 HD2 PHE 22 HD1 PHE 22 -2.044 -2.638 3.558
138 HE1 PHE 22 HE2 PHE 22 -1.929 -2.097 8.446
139 HE2 PHE 22 HE1 PHE 22 0.036 -1.930 4.666
140 HZ PHE 22 HZ PHE 22 0.095 -1.658 7.113
141 H GLY 23 H GLY 23 -6.751 -4.859 5.969
142 HA2 GLY 23 1HA GLY 23 -8.328 -6.212 3.972
143 HA3 GLY 23 2HA GLY 23 -8.877 -5.682 5.555
144 H ASP 24 H ASP 24 -8.579 -3.038 5.576
145 HA ASP 24 HA ASP 24 -10.544 -2.178 3.619
146 HB2 ASP 24 1HB ASP 24 -9.325 -0.745 5.989
147 HB3 ASP 24 2HB ASP 24 -10.599 -0.088 4.965
148 H ASN 25 H ASN 25 -10.291 -0.154 2.439
149 HA ASN 25 HA ASN 25 -7.759 -0.044 1.111
150 HB2 ASN 25 1HB ASN 25 -10.330 1.501 0.846
151 HB3 ASN 25 2HB ASN 25 -8.891 1.956 -0.063
152 HD21 ASN 25 1HD2 ASN 25 -11.292 1.163 -1.240
153 HD22 ASN 25 2HD2 ASN 25 -11.029 -0.328 -2.073
154 H SER 26 H SER 26 -9.545 2.136 3.265
155 HA SER 26 HA SER 26 -7.939 4.352 3.245
156 HB2 SER 26 1HB SER 26 -10.086 3.901 4.596
157 HB3 SER 26 2HB SER 26 -9.014 3.252 5.836
158 HG SER 26 HG SER 26 -7.914 5.311 5.757
159 H SER 27 H SER 27 -7.497 1.434 5.224
160 HA SER 27 HA SER 27 -5.210 2.270 6.601
161 HB2 SER 27 1HB SER 27 -6.620 0.245 7.125
162 HB3 SER 27 2HB SER 27 -5.825 -0.576 5.781
163 HG SER 27 HG SER 27 -4.828 -0.978 7.830
164 H CYS 28 H CYS 28 -5.624 1.010 3.381
165 HA CYS 28 HA CYS 28 -2.844 0.435 2.955
166 HB2 CYS 28 1HB CYS 28 -4.530 -0.785 1.698
167 HB3 CYS 28 2HB CYS 28 -5.147 0.714 1.014
168 HG CYS 28 HG CYS 28 -1.925 0.413 0.366
169 H THR 29 H THR 29 -5.013 2.823 1.429
170 HA THR 29 HA THR 29 -3.165 4.348 0.118
171 HB THR 29 HB THR 29 -5.756 4.614 0.285
172 HG1 THR 29 HG1 THR 29 -3.940 6.789 -0.024
173 HG21 THR 29 3HG2 THR 29 -5.584 5.258 2.737
174 HG22 THR 29 1HG2 THR 29 -6.568 6.310 1.720
175 HG23 THR 29 2HG2 THR 29 -4.939 6.803 2.184
176 H GLN 30 H GLN 30 -4.031 4.513 3.537
177 HA GLN 30 HA GLN 30 -2.412 6.800 4.089
178 HB2 GLN 30 1HB GLN 30 -3.809 4.762 5.799
179 HB3 GLN 30 2HB GLN 30 -2.740 5.963 6.512
180 HG2 GLN 30 1HG GLN 30 -5.145 6.591 4.817
181 HG3 GLN 30 2HG GLN 30 -5.115 6.606 6.579
182 HE21 GLN 30 1HE2 GLN 30 -5.024 8.529 3.973
183 HE22 GLN 30 2HE2 GLN 30 -4.138 9.870 4.607
184 H HIS 31 H HIS 31 -2.015 3.308 4.569
185 HA HIS 31 HA HIS 31 0.431 3.338 5.892
186 HB2 HIS 31 1HB HIS 31 -0.857 1.300 5.703
187 HB3 HIS 31 2HB HIS 31 -0.686 1.307 3.950
188 HD1 HIS 31 HD1 HIS 31 0.907 0.105 7.009
189 HD2 HIS 31 HD2 HIS 31 2.037 0.783 3.069
190 HE1 HIS 31 HE1 HIS 31 3.063 -1.152 6.702
191 H GLN 32 H GLN 32 -0.316 3.794 2.518
192 HA GLN 32 HA GLN 32 2.349 3.430 1.558
193 HB2 GLN 32 1HB GLN 32 0.076 3.344 0.273
194 HB3 GLN 32 2HB GLN 32 0.302 5.082 0.123
195 HG2 GLN 32 1HG GLN 32 2.079 4.875 -1.288
196 HG3 GLN 32 2HG GLN 32 2.555 3.307 -0.638
197 HE21 GLN 32 1HE2 GLN 32 2.758 2.788 -2.938
198 HE22 GLN 32 2HE2 GLN 32 1.356 2.250 -3.792
199 H ARG 33 H ARG 33 0.668 5.999 3.087
200 HA ARG 33 HA ARG 33 2.251 8.147 2.058
201 HB2 ARG 33 1HB ARG 33 0.019 8.565 2.938
202 HB3 ARG 33 2HB ARG 33 0.506 7.972 4.520
203 HG2 ARG 33 1HG ARG 33 0.681 10.206 4.883
204 HG3 ARG 33 2HG ARG 33 2.312 9.884 4.289
205 HD2 ARG 33 1HD ARG 33 1.321 11.867 3.235
206 HD3 ARG 33 2HD ARG 33 1.669 10.598 2.062
207 HE ARG 33 HE ARG 33 -0.983 10.320 2.917
208 HH11 ARG 33 1HH1 ARG 33 1.005 12.511 1.082
209 HH12 ARG 33 2HH1 ARG 33 -0.299 13.066 0.086
210 HH21 ARG 33 1HH2 ARG 33 -2.708 11.042 1.611
211 HH22 ARG 33 2HH2 ARG 33 -2.411 12.230 0.388
212 H LEU 34 H LEU 34 2.312 6.191 5.009
213 HA LEU 34 HA LEU 34 4.341 7.556 6.358
214 HB2 LEU 34 1HB LEU 34 4.348 5.816 7.836
215 HB3 LEU 34 2HB LEU 34 2.777 5.584 7.072
216 HG LEU 34 HG LEU 34 4.221 3.985 5.504
217 HD11 LEU 34 1HD1 LEU 34 5.581 3.475 8.107
218 HD12 LEU 34 2HD1 LEU 34 6.244 4.679 7.003
219 HD13 LEU 34 3HD1 LEU 34 6.058 3.007 6.475
220 HD21 LEU 34 3HD2 LEU 34 3.694 2.183 7.342
221 HD22 LEU 34 1HD2 LEU 34 2.394 3.010 6.484
222 HD23 LEU 34 2HD2 LEU 34 2.848 3.528 8.107
223 H HIS 35 H HIS 35 4.472 5.541 3.585
224 HA HIS 35 HA HIS 35 7.295 4.936 3.865
225 HB2 HIS 35 1HB HIS 35 5.125 4.182 1.974
226 HB3 HIS 35 2HB HIS 35 6.775 4.151 1.361
227 HD1 HIS 35 HD1 HIS 35 8.350 2.339 2.288
228 HD2 HIS 35 HD2 HIS 35 4.522 2.226 3.898
229 HE1 HIS 35 HE1 HIS 35 8.195 0.141 3.501
230 H THR 36 H THR 36 5.733 7.665 3.174
231 HA THR 36 HA THR 36 7.153 8.500 0.807
232 HB THR 36 HB THR 36 5.419 10.042 2.743
233 HG1 THR 36 HG1 THR 36 3.851 9.467 1.438
234 HG21 THR 36 3HG2 THR 36 6.075 11.951 1.803
235 HG22 THR 36 1HG2 THR 36 5.744 11.313 0.193
236 HG23 THR 36 2HG2 THR 36 7.324 11.059 0.935
237 H GLY 37 H GLY 37 7.298 9.219 4.283
238 HA2 GLY 37 1HA GLY 37 9.399 9.534 5.391
239 HA3 GLY 37 2HA GLY 37 10.064 10.134 3.879
240 H GLN 38 H GLN 38 10.838 11.852 5.382
241 HA GLN 38 HA GLN 38 9.218 13.638 6.730
242 HB2 GLN 38 1HB GLN 38 11.817 13.485 6.526
243 HB3 GLN 38 2HB GLN 38 11.601 14.622 5.202
244 HG2 GLN 38 1HG GLN 38 10.315 16.063 6.846
245 HG3 GLN 38 2HG GLN 38 10.946 15.001 8.104
246 HE21 GLN 38 1HE2 GLN 38 11.398 17.891 6.865
247 HE22 GLN 38 2HE2 GLN 38 13.111 18.060 7.005
248 H ARG 39 H ARG 39 8.067 15.449 6.207
249 HA ARG 39 HA ARG 39 7.792 16.056 3.336
250 HB2 ARG 39 1HB ARG 39 5.802 14.898 4.062
251 HB3 ARG 39 2HB ARG 39 5.641 15.960 5.454
252 HG2 ARG 39 1HG ARG 39 5.405 17.857 3.769
253 HG3 ARG 39 2HG ARG 39 5.177 16.591 2.561
254 HD2 ARG 39 1HD ARG 39 3.556 16.660 5.084
255 HD3 ARG 39 2HD ARG 39 3.094 17.609 3.672
256 HE ARG 39 HE ARG 39 3.552 14.912 2.947
257 HH11 ARG 39 1HH1 ARG 39 1.255 16.964 4.570
258 HH12 ARG 39 2HH1 ARG 39 -0.102 15.949 4.212
259 HH21 ARG 39 1HH2 ARG 39 1.773 13.567 2.469
260 HH22 ARG 39 2HH2 ARG 39 0.194 14.016 3.018
261 HA PRO 40 HA PRO 40 9.136 19.896 5.510
262 HB2 PRO 40 1HB PRO 40 10.756 20.726 3.495
263 HB3 PRO 40 2HB PRO 40 11.285 19.602 4.752
264 HG2 PRO 40 1HG PRO 40 10.362 19.028 1.963
265 HG3 PRO 40 2HG PRO 40 11.724 18.328 2.857
266 HD2 PRO 40 1HD PRO 40 9.356 17.046 2.573
267 HD3 PRO 40 2HD PRO 40 10.374 16.863 4.015
268 H SER 41 H SER 41 7.185 20.969 5.357
269 HA SER 41 HA SER 41 5.651 21.570 3.196
270 HB2 SER 41 1HB SER 41 6.234 23.150 5.688
271 HB3 SER 41 2HB SER 41 5.128 23.773 4.464
272 HG SER 41 HG SER 41 4.176 22.478 6.211
273 H GLY 42 H GLY 42 6.386 22.221 1.268
274 HA2 GLY 42 1HA GLY 42 6.843 24.312 0.036
275 HA3 GLY 42 2HA GLY 42 8.108 24.624 1.216
276 HA PRO 43 HA PRO 43 9.547 21.039 -1.748
277 HB2 PRO 43 1HB PRO 43 8.319 21.040 -4.169
278 HB3 PRO 43 2HB PRO 43 7.740 20.086 -2.798
279 HG2 PRO 43 1HG PRO 43 6.768 22.730 -3.811
280 HG3 PRO 43 2HG PRO 43 5.830 21.329 -3.263
281 HD2 PRO 43 1HD PRO 43 6.266 23.493 -1.695
282 HD3 PRO 43 2HD PRO 43 6.112 21.852 -1.036
283 H SER 44 H SER 44 11.408 22.250 -1.899
284 HA SER 44 HA SER 44 11.531 24.274 -4.030
285 HB2 SER 44 1HB SER 44 12.191 24.766 -1.551
286 HB3 SER 44 2HB SER 44 13.676 23.909 -1.961
287 HG SER 44 HG SER 44 12.661 26.312 -3.027
288 H SER 45 H SER 45 11.543 21.681 -4.894
289 HA SER 45 HA SER 45 14.207 21.489 -6.049
290 HB2 SER 45 1HB SER 45 12.923 19.272 -4.447
291 HB3 SER 45 2HB SER 45 14.224 18.987 -5.603
292 HG SER 45 HG SER 45 14.617 20.993 -3.713
293 H GLY 46 H GLY 46 13.763 21.591 -8.151
294 HA2 GLY 46 1HA GLY 46 13.094 20.318 -10.101
295 HA3 GLY 46 2HA GLY 46 11.678 19.789 -9.204
Start of MODEL 10
1 H1 GLY 1 H GLY 1 21.627 -11.980 1.478
2 HA2 GLY 1 1HA GLY 1 22.105 -13.230 -1.035
3 HA3 GLY 1 2HA GLY 1 20.384 -12.976 -0.785
4 H SER 2 H SER 2 23.445 -11.178 -0.456
5 HA SER 2 HA SER 2 22.500 -8.614 -0.519
6 HB2 SER 2 1HB SER 2 24.929 -9.455 -0.351
7 HB3 SER 2 2HB SER 2 24.936 -9.392 -2.113
8 HG SER 2 HG SER 2 24.267 -7.151 -1.868
9 H SER 3 H SER 3 23.226 -10.664 -3.328
10 HA SER 3 HA SER 3 22.306 -8.680 -5.197
11 HB2 SER 3 1HB SER 3 24.066 -10.629 -5.507
12 HB3 SER 3 2HB SER 3 22.635 -11.553 -5.963
13 HG SER 3 HG SER 3 23.013 -9.027 -7.104
14 H GLY 4 H GLY 4 20.575 -9.151 -6.781
15 HA2 GLY 4 1HA GLY 4 18.107 -9.508 -5.587
16 HA3 GLY 4 2HA GLY 4 18.404 -9.683 -7.310
17 H SER 5 H SER 5 16.463 -11.204 -6.408
18 HA SER 5 HA SER 5 17.669 -13.884 -6.200
19 HB2 SER 5 1HB SER 5 16.630 -13.296 -4.062
20 HB3 SER 5 2HB SER 5 15.115 -12.923 -4.885
21 HG SER 5 HG SER 5 14.654 -14.955 -4.726
22 H SER 6 H SER 6 16.371 -15.620 -7.107
23 HA SER 6 HA SER 6 15.030 -14.740 -9.540
24 HB2 SER 6 1HB SER 6 15.356 -16.950 -10.363
25 HB3 SER 6 2HB SER 6 16.839 -16.534 -9.504
26 HG SER 6 HG SER 6 15.721 -18.673 -9.093
27 H GLY 7 H GLY 7 12.897 -14.863 -9.881
28 HA2 GLY 7 1HA GLY 7 10.862 -16.263 -9.575
29 HA3 GLY 7 2HA GLY 7 11.279 -16.301 -7.868
30 H THR 8 H THR 8 11.003 -13.740 -10.336
31 HA THR 8 HA THR 8 10.067 -11.794 -8.526
32 HB THR 8 HB THR 8 9.361 -10.535 -10.576
33 HG1 THR 8 HG1 THR 8 10.424 -12.808 -11.933
34 HG21 THR 8 3HG2 THR 8 11.867 -11.005 -9.606
35 HG22 THR 8 1HG2 THR 8 11.480 -9.832 -10.864
36 HG23 THR 8 2HG2 THR 8 12.055 -11.440 -11.305
37 H GLY 9 H GLY 9 8.347 -12.672 -7.339
38 HA2 GLY 9 1HA GLY 9 5.799 -12.689 -8.811
39 HA3 GLY 9 2HA GLY 9 6.186 -14.029 -7.742
40 H GLU 10 H GLU 10 5.340 -10.644 -7.922
41 HA GLU 10 HA GLU 10 5.121 -10.483 -5.009
42 HB2 GLU 10 1HB GLU 10 4.912 -8.398 -7.182
43 HB3 GLU 10 2HB GLU 10 4.576 -8.061 -5.490
44 HG2 GLU 10 1HG GLU 10 7.189 -9.248 -6.334
45 HG3 GLU 10 2HG GLU 10 6.902 -7.511 -6.424
46 H LYS 11 H LYS 11 3.194 -9.988 -3.953
47 HA LYS 11 HA LYS 11 0.846 -11.102 -5.112
48 HB2 LYS 11 1HB LYS 11 1.559 -9.836 -2.513
49 HB3 LYS 11 2HB LYS 11 -0.146 -9.919 -2.937
50 HG2 LYS 11 1HG LYS 11 0.226 -11.847 -1.693
51 HG3 LYS 11 2HG LYS 11 0.274 -12.406 -3.366
52 HD2 LYS 11 1HD LYS 11 2.715 -12.341 -3.324
53 HD3 LYS 11 2HD LYS 11 2.678 -11.753 -1.660
54 HE2 LYS 11 1HE LYS 11 1.228 -13.926 -1.293
55 HE3 LYS 11 2HE LYS 11 2.081 -14.464 -2.739
56 HZ1 LYS 11 3HZ LYS 11 4.121 -14.353 -1.671
57 HZ2 LYS 11 1HZ LYS 11 3.105 -14.968 -0.466
58 HZ3 LYS 11 2HZ LYS 11 3.554 -13.337 -0.443
59 HA PRO 12 HA PRO 12 -0.886 -7.571 -7.088
60 HB2 PRO 12 1HB PRO 12 -3.503 -8.293 -7.054
61 HB3 PRO 12 2HB PRO 12 -2.314 -9.039 -8.129
62 HG2 PRO 12 1HG PRO 12 -3.400 -10.035 -5.523
63 HG3 PRO 12 2HG PRO 12 -3.106 -10.928 -7.026
64 HD2 PRO 12 1HD PRO 12 -1.402 -11.013 -4.924
65 HD3 PRO 12 2HD PRO 12 -0.850 -11.140 -6.607
66 H TYR 13 H TYR 13 -2.548 -8.711 -4.155
67 HA TYR 13 HA TYR 13 -3.421 -5.975 -3.594
68 HB2 TYR 13 1HB TYR 13 -4.618 -7.227 -1.647
69 HB3 TYR 13 2HB TYR 13 -5.238 -7.391 -3.286
70 HD1 TYR 13 HD1 TYR 13 -2.379 -9.070 -1.570
71 HD2 TYR 13 HD2 TYR 13 -6.165 -9.507 -3.461
72 HE1 TYR 13 HE1 TYR 13 -2.177 -11.515 -1.396
73 HE2 TYR 13 HE2 TYR 13 -5.974 -11.953 -3.291
74 HH TYR 13 HH TYR 13 -4.296 -13.540 -1.388
75 H LYS 14 H LYS 14 -0.710 -6.287 -3.370
76 HA LYS 14 HA LYS 14 -0.334 -5.942 -0.484
77 HB2 LYS 14 1HB LYS 14 1.058 -7.882 -2.257
78 HB3 LYS 14 2HB LYS 14 2.035 -7.046 -1.057
79 HG2 LYS 14 1HG LYS 14 -0.505 -8.295 -0.162
80 HG3 LYS 14 2HG LYS 14 0.860 -9.349 -0.539
81 HD2 LYS 14 1HD LYS 14 2.151 -7.581 0.961
82 HD3 LYS 14 2HD LYS 14 0.538 -7.351 1.638
83 HE2 LYS 14 1HE LYS 14 1.702 -9.014 2.930
84 HE3 LYS 14 2HE LYS 14 0.405 -9.794 2.027
85 HZ1 LYS 14 3HZ LYS 14 1.862 -11.084 0.990
86 HZ2 LYS 14 1HZ LYS 14 3.053 -10.514 2.048
87 HZ3 LYS 14 2HZ LYS 14 2.832 -9.772 0.544
88 H CYS 15 H CYS 15 1.861 -4.920 -0.032
89 HA CYS 15 HA CYS 15 2.142 -2.637 -1.796
90 HB2 CYS 15 1HB CYS 15 2.071 -2.320 0.648
91 HB3 CYS 15 2HB CYS 15 3.540 -3.277 0.810
92 H MET 16 H MET 16 3.579 -2.525 -3.379
93 HA MET 16 HA MET 16 5.551 -4.561 -3.757
94 HB2 MET 16 1HB MET 16 4.445 -3.569 -5.677
95 HB3 MET 16 2HB MET 16 5.045 -1.976 -5.238
96 HG2 MET 16 1HG MET 16 6.998 -4.166 -5.730
97 HG3 MET 16 2HG MET 16 6.207 -3.394 -7.102
98 HE1 MET 16 3HE MET 16 7.586 -0.346 -7.779
99 HE2 MET 16 1HE MET 16 6.037 -1.152 -7.528
100 HE3 MET 16 2HE MET 16 6.545 0.139 -6.440
101 H GLU 17 H GLU 17 5.538 -1.304 -2.498
102 HA GLU 17 HA GLU 17 8.270 -0.724 -2.650
103 HB2 GLU 17 1HB GLU 17 6.212 0.139 -0.613
104 HB3 GLU 17 2HB GLU 17 7.824 0.828 -0.740
105 HG2 GLU 17 1HG GLU 17 7.295 1.507 -3.064
106 HG3 GLU 17 2HG GLU 17 5.647 0.934 -2.812
107 H CYS 18 H CYS 18 6.438 -2.011 0.128
108 HA CYS 18 HA CYS 18 8.898 -3.363 1.007
109 HB2 CYS 18 1HB CYS 18 8.378 -2.842 3.328
110 HB3 CYS 18 2HB CYS 18 8.512 -1.355 2.395
111 H GLY 19 H GLY 19 5.362 -3.205 1.344
112 HA2 GLY 19 1HA GLY 19 4.127 -5.257 0.784
113 HA3 GLY 19 2HA GLY 19 5.377 -6.145 1.642
114 H LYS 20 H LYS 20 2.299 -4.980 1.862
115 HA LYS 20 HA LYS 20 2.122 -5.620 4.651
116 HB2 LYS 20 1HB LYS 20 2.929 -3.228 4.634
117 HB3 LYS 20 2HB LYS 20 1.412 -2.793 3.858
118 HG2 LYS 20 1HG LYS 20 0.173 -3.180 5.751
119 HG3 LYS 20 2HG LYS 20 1.348 -4.315 6.419
120 HD2 LYS 20 1HD LYS 20 2.878 -2.481 6.890
121 HD3 LYS 20 2HD LYS 20 1.747 -1.333 6.168
122 HE2 LYS 20 1HE LYS 20 1.261 -1.098 8.404
123 HE3 LYS 20 2HE LYS 20 0.081 -2.317 7.922
124 HZ1 LYS 20 3HZ LYS 20 0.907 -3.521 9.582
125 HZ2 LYS 20 1HZ LYS 20 2.263 -2.525 9.764
126 HZ3 LYS 20 2HZ LYS 20 2.276 -3.768 8.618
127 H ALA 21 H ALA 21 0.198 -6.521 5.019
128 HA ALA 21 HA ALA 21 -1.810 -6.455 2.935
129 HB1 ALA 21 3HB ALA 21 -2.985 -8.051 4.588
130 HB2 ALA 21 1HB ALA 21 -1.520 -8.600 3.772
131 HB3 ALA 21 2HB ALA 21 -1.444 -8.045 5.445
132 H PHE 22 H PHE 22 -3.674 -5.352 2.964
133 HA PHE 22 HA PHE 22 -4.491 -4.053 5.474
134 HB2 PHE 22 1HB PHE 22 -4.610 -2.759 2.743
135 HB3 PHE 22 2HB PHE 22 -5.051 -2.021 4.279
136 HD1 PHE 22 HD2 PHE 22 -3.339 -1.334 5.867
137 HD2 PHE 22 HD1 PHE 22 -2.316 -2.992 2.083
138 HE1 PHE 22 HE2 PHE 22 -1.037 -0.504 6.129
139 HE2 PHE 22 HE1 PHE 22 -0.013 -2.166 2.339
140 HZ PHE 22 HZ PHE 22 0.629 -0.919 4.364
141 H GLY 23 H GLY 23 -6.526 -4.473 6.024
142 HA2 GLY 23 1HA GLY 23 -8.203 -6.102 4.427
143 HA3 GLY 23 2HA GLY 23 -8.670 -5.291 5.914
144 H ASP 24 H ASP 24 -8.604 -2.702 5.429
145 HA ASP 24 HA ASP 24 -10.542 -2.370 3.247
146 HB2 ASP 24 1HB ASP 24 -10.959 -1.730 5.772
147 HB3 ASP 24 2HB ASP 24 -10.076 -0.272 5.327
148 H ASN 25 H ASN 25 -10.467 -0.395 1.979
149 HA ASN 25 HA ASN 25 -7.876 0.119 0.963
150 HB2 ASN 25 1HB ASN 25 -9.930 0.258 -0.408
151 HB3 ASN 25 2HB ASN 25 -10.431 1.676 0.507
152 HD21 ASN 25 1HD2 ASN 25 -8.106 0.409 -1.767
153 HD22 ASN 25 2HD2 ASN 25 -7.566 1.938 -2.365
154 H SER 26 H SER 26 -10.075 2.005 3.004
155 HA SER 26 HA SER 26 -8.818 4.414 3.155
156 HB2 SER 26 1HB SER 26 -10.895 3.879 4.367
157 HB3 SER 26 2HB SER 26 -9.977 2.889 5.501
158 HG SER 26 HG SER 26 -9.925 4.732 6.550
159 H SER 27 H SER 27 -8.129 1.702 5.371
160 HA SER 27 HA SER 27 -5.913 2.870 6.611
161 HB2 SER 27 1HB SER 27 -6.462 -0.076 6.176
162 HB3 SER 27 2HB SER 27 -5.354 0.603 7.368
163 HG SER 27 HG SER 27 -7.299 0.181 8.377
164 H CYS 28 H CYS 28 -6.060 0.618 3.865
165 HA CYS 28 HA CYS 28 -3.414 0.176 3.379
166 HB2 CYS 28 1HB CYS 28 -5.218 -0.829 2.054
167 HB3 CYS 28 2HB CYS 28 -5.544 0.729 1.304
168 HG CYS 28 HG CYS 28 -4.266 -0.645 -0.654
169 H THR 29 H THR 29 -5.235 2.754 1.717
170 HA THR 29 HA THR 29 -3.217 4.089 0.496
171 HB THR 29 HB THR 29 -5.499 5.438 1.953
172 HG1 THR 29 HG1 THR 29 -5.307 4.362 -0.681
173 HG21 THR 29 3HG2 THR 29 -5.045 6.892 -0.292
174 HG22 THR 29 1HG2 THR 29 -3.405 6.390 0.115
175 HG23 THR 29 2HG2 THR 29 -4.373 7.279 1.291
176 H GLN 30 H GLN 30 -4.283 4.676 3.845
177 HA GLN 30 HA GLN 30 -2.643 6.694 4.613
178 HB2 GLN 30 1HB GLN 30 -4.323 5.201 5.972
179 HB3 GLN 30 2HB GLN 30 -2.867 4.330 6.434
180 HG2 GLN 30 1HG GLN 30 -1.919 6.522 7.200
181 HG3 GLN 30 2HG GLN 30 -3.517 7.219 6.940
182 HE21 GLN 30 1HE2 GLN 30 -2.144 7.125 9.410
183 HE22 GLN 30 2HE2 GLN 30 -3.069 6.148 10.493
184 H HIS 31 H HIS 31 -1.755 3.253 4.536
185 HA HIS 31 HA HIS 31 0.723 3.202 5.576
186 HB2 HIS 31 1HB HIS 31 -0.318 1.239 4.559
187 HB3 HIS 31 2HB HIS 31 -0.087 1.927 2.954
188 HD1 HIS 31 HD1 HIS 31 2.106 0.941 5.909
189 HD2 HIS 31 HD2 HIS 31 2.156 1.022 1.756
190 HE1 HIS 31 HE1 HIS 31 4.290 -0.113 5.242
191 H GLN 32 H GLN 32 -0.089 4.445 2.362
192 HA GLN 32 HA GLN 32 2.395 4.906 1.306
193 HB2 GLN 32 1HB GLN 32 -0.130 6.539 1.133
194 HB3 GLN 32 2HB GLN 32 1.315 6.957 0.222
195 HG2 GLN 32 1HG GLN 32 1.255 4.742 -0.845
196 HG3 GLN 32 2HG GLN 32 -0.235 4.385 0.027
197 HE21 GLN 32 1HE2 GLN 32 -2.133 5.161 -0.720
198 HE22 GLN 32 2HE2 GLN 32 -2.300 6.098 -2.162
199 H ARG 33 H ARG 33 0.598 7.047 3.503
200 HA ARG 33 HA ARG 33 2.330 9.179 3.629
201 HB2 ARG 33 1HB ARG 33 1.180 9.851 5.500
202 HB3 ARG 33 2HB ARG 33 0.047 8.673 4.850
203 HG2 ARG 33 1HG ARG 33 0.875 6.994 6.400
204 HG3 ARG 33 2HG ARG 33 2.054 8.145 7.031
205 HD2 ARG 33 1HD ARG 33 -0.939 8.506 7.117
206 HD3 ARG 33 2HD ARG 33 0.047 7.928 8.459
207 HE ARG 33 HE ARG 33 0.807 10.080 8.805
208 HH11 ARG 33 1HH1 ARG 33 -1.008 9.906 5.839
209 HH12 ARG 33 2HH1 ARG 33 -1.100 11.625 5.642
210 HH21 ARG 33 1HH2 ARG 33 0.692 12.345 8.557
211 HH22 ARG 33 2HH2 ARG 33 -0.133 13.011 7.188
212 H LEU 34 H LEU 34 2.464 6.167 5.500
213 HA LEU 34 HA LEU 34 4.628 6.794 7.136
214 HB2 LEU 34 1HB LEU 34 3.741 4.154 5.992
215 HB3 LEU 34 2HB LEU 34 4.999 4.314 7.217
216 HG LEU 34 HG LEU 34 2.172 5.271 7.625
217 HD11 LEU 34 1HD1 LEU 34 3.344 2.670 8.584
218 HD12 LEU 34 2HD1 LEU 34 2.304 2.813 7.167
219 HD13 LEU 34 3HD1 LEU 34 1.684 3.240 8.762
220 HD21 LEU 34 3HD2 LEU 34 3.995 4.457 9.818
221 HD22 LEU 34 1HD2 LEU 34 2.763 5.719 9.774
222 HD23 LEU 34 2HD2 LEU 34 4.328 5.987 9.005
223 H HIS 35 H HIS 35 4.576 5.351 3.899
224 HA HIS 35 HA HIS 35 7.303 4.830 3.636
225 HB2 HIS 35 1HB HIS 35 5.049 5.276 1.746
226 HB3 HIS 35 2HB HIS 35 6.681 5.373 1.092
227 HD1 HIS 35 HD1 HIS 35 7.767 3.054 3.048
228 HD2 HIS 35 HD2 HIS 35 4.511 2.854 0.476
229 HE1 HIS 35 HE1 HIS 35 7.436 0.607 2.571
230 H THR 36 H THR 36 5.464 7.773 2.944
231 HA THR 36 HA THR 36 7.874 9.188 2.142
232 HB THR 36 HB THR 36 5.086 10.311 2.455
233 HG1 THR 36 HG1 THR 36 4.860 8.803 0.885
234 HG21 THR 36 3HG2 THR 36 7.614 11.279 1.150
235 HG22 THR 36 1HG2 THR 36 6.593 12.107 2.325
236 HG23 THR 36 2HG2 THR 36 6.033 11.891 0.666
237 H GLY 37 H GLY 37 9.019 9.121 4.139
238 HA2 GLY 37 1HA GLY 37 7.857 10.798 6.272
239 HA3 GLY 37 2HA GLY 37 9.086 9.568 6.526
240 H GLN 38 H GLN 38 11.215 9.970 5.491
241 HA GLN 38 HA GLN 38 11.974 12.736 5.944
242 HB2 GLN 38 1HB GLN 38 13.485 10.165 5.609
243 HB3 GLN 38 2HB GLN 38 14.317 11.709 5.482
244 HG2 GLN 38 1HG GLN 38 12.603 11.136 7.856
245 HG3 GLN 38 2HG GLN 38 14.227 10.458 7.753
246 HE21 GLN 38 1HE2 GLN 38 15.727 11.627 8.691
247 HE22 GLN 38 2HE2 GLN 38 15.714 13.343 8.889
248 H ARG 39 H ARG 39 11.410 13.961 4.213
249 HA ARG 39 HA ARG 39 12.732 13.307 1.672
250 HB2 ARG 39 1HB ARG 39 10.281 12.745 1.600
251 HB3 ARG 39 2HB ARG 39 9.944 14.451 1.860
252 HG2 ARG 39 1HG ARG 39 9.762 14.240 -0.429
253 HG3 ARG 39 2HG ARG 39 11.418 14.819 -0.229
254 HD2 ARG 39 1HD ARG 39 12.186 12.452 -0.330
255 HD3 ARG 39 2HD ARG 39 10.528 11.977 -0.698
256 HE ARG 39 HE ARG 39 11.208 13.904 -2.554
257 HH11 ARG 39 1HH1 ARG 39 12.344 10.749 -1.620
258 HH12 ARG 39 2HH1 ARG 39 12.917 10.343 -3.204
259 HH21 ARG 39 1HH2 ARG 39 11.958 13.381 -4.643
260 HH22 ARG 39 2HH2 ARG 39 12.698 11.841 -4.923
261 HA PRO 40 HA PRO 40 13.789 17.586 3.060
262 HB2 PRO 40 1HB PRO 40 16.404 17.405 2.351
263 HB3 PRO 40 2HB PRO 40 15.792 16.853 3.915
264 HG2 PRO 40 1HG PRO 40 16.410 15.263 1.455
265 HG3 PRO 40 2HG PRO 40 16.777 14.890 3.150
266 HD2 PRO 40 1HD PRO 40 14.687 13.780 1.833
267 HD3 PRO 40 2HD PRO 40 14.644 14.125 3.574
268 H SER 41 H SER 41 14.595 15.798 0.123
269 HA SER 41 HA SER 41 14.124 18.256 -1.420
270 HB2 SER 41 1HB SER 41 15.914 17.483 -3.015
271 HB3 SER 41 2HB SER 41 16.512 17.982 -1.433
272 HG SER 41 HG SER 41 17.445 16.010 -2.103
273 H GLY 42 H GLY 42 13.382 17.910 -3.599
274 HA2 GLY 42 1HA GLY 42 12.823 15.414 -4.731
275 HA3 GLY 42 2HA GLY 42 11.417 15.895 -3.793
276 HA PRO 43 HA PRO 43 11.806 18.079 -8.075
277 HB2 PRO 43 1HB PRO 43 10.590 16.285 -9.711
278 HB3 PRO 43 2HB PRO 43 12.338 16.315 -9.449
279 HG2 PRO 43 1HG PRO 43 10.266 14.550 -8.203
280 HG3 PRO 43 2HG PRO 43 11.872 14.125 -8.823
281 HD2 PRO 43 1HD PRO 43 11.374 14.468 -6.184
282 HD3 PRO 43 2HD PRO 43 12.941 14.862 -6.919
283 H SER 44 H SER 44 9.194 15.798 -7.220
284 HA SER 44 HA SER 44 7.282 18.020 -7.539
285 HB2 SER 44 1HB SER 44 6.911 15.074 -8.115
286 HB3 SER 44 2HB SER 44 5.586 16.237 -8.073
287 HG SER 44 HG SER 44 6.235 17.068 -9.920
288 H SER 45 H SER 45 7.990 15.031 -5.772
289 HA SER 45 HA SER 45 5.931 15.202 -3.886
290 HB2 SER 45 1HB SER 45 7.656 13.292 -4.383
291 HB3 SER 45 2HB SER 45 8.616 14.093 -3.139
292 HG SER 45 HG SER 45 5.935 13.609 -2.566
293 H GLY 46 H GLY 46 5.590 17.108 -2.873
294 HA2 GLY 46 1HA GLY 46 5.904 18.817 -1.374
295 HA3 GLY 46 2HA GLY 46 7.189 17.838 -0.682
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -25.520 -13.209 -5.250
2 HA2 GLY 1 1HA GLY 1 -26.538 -13.234 -3.028
3 HA3 GLY 1 2HA GLY 1 -25.229 -14.289 -2.516
4 H SER 2 H SER 2 -26.128 -11.010 -3.333
5 HA SER 2 HA SER 2 -24.984 -9.020 -3.139
6 HB2 SER 2 1HB SER 2 -25.844 -9.699 -0.820
7 HB3 SER 2 2HB SER 2 -24.176 -10.139 -0.456
8 HG SER 2 HG SER 2 -25.335 -7.655 -0.699
9 H SER 3 H SER 3 -23.419 -10.814 -4.563
10 HA SER 3 HA SER 3 -20.727 -10.617 -3.439
11 HB2 SER 3 1HB SER 3 -21.774 -12.050 -5.890
12 HB3 SER 3 2HB SER 3 -20.084 -12.045 -5.388
13 HG SER 3 HG SER 3 -20.867 -13.833 -4.455
14 H GLY 4 H GLY 4 -19.371 -9.052 -4.006
15 HA2 GLY 4 1HA GLY 4 -20.008 -7.481 -6.424
16 HA3 GLY 4 2HA GLY 4 -19.211 -6.833 -4.998
17 H SER 5 H SER 5 -17.308 -8.800 -4.535
18 HA SER 5 HA SER 5 -15.410 -8.151 -6.619
19 HB2 SER 5 1HB SER 5 -13.753 -9.201 -5.131
20 HB3 SER 5 2HB SER 5 -14.732 -8.020 -4.260
21 HG SER 5 HG SER 5 -15.638 -9.579 -3.125
22 H SER 6 H SER 6 -16.682 -9.438 -8.219
23 HA SER 6 HA SER 6 -16.656 -12.295 -8.022
24 HB2 SER 6 1HB SER 6 -18.362 -11.023 -9.326
25 HB3 SER 6 2HB SER 6 -17.101 -10.580 -10.477
26 HG SER 6 HG SER 6 -17.403 -13.285 -9.881
27 H GLY 7 H GLY 7 -15.355 -13.767 -9.100
28 HA2 GLY 7 1HA GLY 7 -13.628 -14.355 -10.640
29 HA3 GLY 7 2HA GLY 7 -13.050 -12.697 -10.575
30 H THR 8 H THR 8 -11.021 -14.123 -10.335
31 HA THR 8 HA THR 8 -10.587 -14.781 -7.500
32 HB THR 8 HB THR 8 -8.568 -16.029 -8.326
33 HG1 THR 8 HG1 THR 8 -8.852 -14.772 -10.486
34 HG21 THR 8 3HG2 THR 8 -10.174 -17.736 -9.658
35 HG22 THR 8 1HG2 THR 8 -11.387 -16.733 -8.864
36 HG23 THR 8 2HG2 THR 8 -10.171 -17.575 -7.903
37 H GLY 9 H GLY 9 -8.755 -14.013 -6.418
38 HA2 GLY 9 1HA GLY 9 -7.065 -12.070 -7.812
39 HA3 GLY 9 2HA GLY 9 -8.000 -11.496 -6.439
40 H GLU 10 H GLU 10 -7.700 -12.818 -4.391
41 HA GLU 10 HA GLU 10 -6.368 -13.723 -2.771
42 HB2 GLU 10 1HB GLU 10 -5.739 -15.311 -4.714
43 HB3 GLU 10 2HB GLU 10 -4.270 -14.351 -4.830
44 HG2 GLU 10 1HG GLU 10 -4.026 -14.836 -2.309
45 HG3 GLU 10 2HG GLU 10 -5.190 -16.125 -2.609
46 H LYS 11 H LYS 11 -6.325 -11.010 -3.228
47 HA LYS 11 HA LYS 11 -5.178 -9.127 -2.668
48 HB2 LYS 11 1HB LYS 11 -3.594 -11.290 -1.380
49 HB3 LYS 11 2HB LYS 11 -2.844 -9.704 -1.500
50 HG2 LYS 11 1HG LYS 11 -3.851 -9.485 0.521
51 HG3 LYS 11 2HG LYS 11 -5.170 -8.929 -0.511
52 HD2 LYS 11 1HD LYS 11 -4.990 -11.837 0.081
53 HD3 LYS 11 2HD LYS 11 -5.539 -10.761 1.368
54 HE2 LYS 11 1HE LYS 11 -6.724 -10.696 -1.393
55 HE3 LYS 11 2HE LYS 11 -7.322 -11.784 -0.141
56 HZ1 LYS 11 3HZ LYS 11 -7.059 -8.926 0.472
57 HZ2 LYS 11 1HZ LYS 11 -8.149 -10.063 1.090
58 HZ3 LYS 11 2HZ LYS 11 -8.371 -9.439 -0.466
59 HA PRO 12 HA PRO 12 -2.419 -9.938 -6.417
60 HB2 PRO 12 1HB PRO 12 -3.932 -8.592 -8.224
61 HB3 PRO 12 2HB PRO 12 -4.146 -10.313 -7.886
62 HG2 PRO 12 1HG PRO 12 -5.703 -7.973 -6.856
63 HG3 PRO 12 2HG PRO 12 -6.293 -9.542 -7.435
64 HD2 PRO 12 1HD PRO 12 -6.055 -8.956 -4.802
65 HD3 PRO 12 2HD PRO 12 -5.822 -10.596 -5.439
66 H TYR 13 H TYR 13 -4.199 -7.125 -5.256
67 HA TYR 13 HA TYR 13 -2.053 -5.366 -6.214
68 HB2 TYR 13 1HB TYR 13 -3.596 -3.525 -5.867
69 HB3 TYR 13 2HB TYR 13 -4.378 -4.771 -6.833
70 HD1 TYR 13 HD2 TYR 13 -6.002 -6.344 -5.685
71 HD2 TYR 13 HD1 TYR 13 -4.542 -2.799 -3.838
72 HE1 TYR 13 HE2 TYR 13 -7.876 -6.407 -4.094
73 HE2 TYR 13 HE1 TYR 13 -6.412 -2.854 -2.241
74 HH TYR 13 HH TYR 13 -9.129 -4.774 -2.658
75 H LYS 14 H LYS 14 -0.486 -5.709 -4.663
76 HA LYS 14 HA LYS 14 -1.131 -4.656 -1.993
77 HB2 LYS 14 1HB LYS 14 -0.968 -7.068 -1.779
78 HB3 LYS 14 2HB LYS 14 0.576 -7.070 -2.621
79 HG2 LYS 14 1HG LYS 14 1.715 -6.197 -0.815
80 HG3 LYS 14 2HG LYS 14 0.259 -5.497 -0.104
81 HD2 LYS 14 1HD LYS 14 0.744 -7.329 1.268
82 HD3 LYS 14 2HD LYS 14 -0.527 -7.919 0.195
83 HE2 LYS 14 1HE LYS 14 1.120 -9.622 0.302
84 HE3 LYS 14 2HE LYS 14 1.295 -8.847 -1.272
85 HZ1 LYS 14 3HZ LYS 14 3.417 -9.281 -0.060
86 HZ2 LYS 14 1HZ LYS 14 2.945 -8.128 1.084
87 HZ3 LYS 14 2HZ LYS 14 3.191 -7.671 -0.526
88 H CYS 15 H CYS 15 0.497 -3.478 -0.973
89 HA CYS 15 HA CYS 15 2.121 -1.887 -2.540
90 HB2 CYS 15 1HB CYS 15 1.485 -1.363 -0.211
91 HB3 CYS 15 2HB CYS 15 2.569 -2.629 0.359
92 H MET 16 H MET 16 4.194 -1.957 -3.263
93 HA MET 16 HA MET 16 5.540 -4.548 -3.080
94 HB2 MET 16 1HB MET 16 6.000 -2.189 -4.913
95 HB3 MET 16 2HB MET 16 6.933 -3.679 -4.954
96 HG2 MET 16 1HG MET 16 3.969 -3.808 -5.211
97 HG3 MET 16 2HG MET 16 4.939 -3.303 -6.592
98 HE1 MET 16 3HE MET 16 7.266 -5.289 -7.356
99 HE2 MET 16 1HE MET 16 6.086 -6.309 -8.180
100 HE3 MET 16 2HE MET 16 5.853 -4.562 -8.123
101 H GLU 17 H GLU 17 5.887 -1.212 -2.160
102 HA GLU 17 HA GLU 17 8.605 -1.009 -1.700
103 HB2 GLU 17 1HB GLU 17 6.210 0.216 -0.381
104 HB3 GLU 17 2HB GLU 17 7.811 0.508 0.282
105 HG2 GLU 17 1HG GLU 17 7.484 2.312 -1.122
106 HG3 GLU 17 2HG GLU 17 8.444 1.210 -2.108
107 H CYS 18 H CYS 18 6.169 -1.833 0.778
108 HA CYS 18 HA CYS 18 8.286 -3.195 2.293
109 HB2 CYS 18 1HB CYS 18 6.722 -3.033 4.216
110 HB3 CYS 18 2HB CYS 18 7.154 -1.461 3.550
111 H GLY 19 H GLY 19 4.929 -3.598 1.199
112 HA2 GLY 19 1HA GLY 19 3.974 -5.568 0.375
113 HA3 GLY 19 2HA GLY 19 5.384 -6.458 0.930
114 H LYS 20 H LYS 20 2.864 -4.449 2.462
115 HA LYS 20 HA LYS 20 2.584 -6.547 4.508
116 HB2 LYS 20 1HB LYS 20 2.353 -3.574 4.581
117 HB3 LYS 20 2HB LYS 20 1.348 -4.510 5.680
118 HG2 LYS 20 1HG LYS 20 3.155 -5.313 6.864
119 HG3 LYS 20 2HG LYS 20 4.278 -5.055 5.528
120 HD2 LYS 20 1HD LYS 20 4.480 -2.794 5.962
121 HD3 LYS 20 2HD LYS 20 2.929 -2.712 6.802
122 HE2 LYS 20 1HE LYS 20 4.675 -2.490 8.425
123 HE3 LYS 20 2HE LYS 20 3.925 -4.071 8.634
124 HZ1 LYS 20 3HZ LYS 20 6.586 -3.406 7.580
125 HZ2 LYS 20 1HZ LYS 20 5.827 -4.828 7.066
126 HZ3 LYS 20 2HZ LYS 20 6.144 -4.585 8.709
127 H ALA 21 H ALA 21 0.540 -7.261 5.122
128 HA ALA 21 HA ALA 21 -1.472 -7.073 3.053
129 HB1 ALA 21 3HB ALA 21 -2.679 -8.622 4.817
130 HB2 ALA 21 1HB ALA 21 -1.389 -9.234 3.782
131 HB3 ALA 21 2HB ALA 21 -1.040 -8.777 5.450
132 H PHE 22 H PHE 22 -3.563 -6.288 3.297
133 HA PHE 22 HA PHE 22 -4.145 -4.781 5.747
134 HB2 PHE 22 1HB PHE 22 -4.255 -3.737 2.919
135 HB3 PHE 22 2HB PHE 22 -5.125 -2.971 4.245
136 HD1 PHE 22 HD1 PHE 22 -1.780 -3.819 2.951
137 HD2 PHE 22 HD2 PHE 22 -4.010 -1.598 5.816
138 HE1 PHE 22 HE1 PHE 22 0.244 -2.547 3.535
139 HE2 PHE 22 HE2 PHE 22 -1.990 -0.322 6.405
140 HZ PHE 22 HZ PHE 22 0.140 -0.795 5.263
141 H GLY 23 H GLY 23 -6.527 -3.906 5.555
142 HA2 GLY 23 1HA GLY 23 -8.190 -6.067 4.417
143 HA3 GLY 23 2HA GLY 23 -8.472 -5.431 6.031
144 H ASP 24 H ASP 24 -8.092 -2.693 5.479
145 HA ASP 24 HA ASP 24 -10.394 -2.163 3.715
146 HB2 ASP 24 1HB ASP 24 -10.790 -1.783 6.170
147 HB3 ASP 24 2HB ASP 24 -9.563 -0.521 6.112
148 H ASN 25 H ASN 25 -10.200 -0.627 2.173
149 HA ASN 25 HA ASN 25 -7.749 0.123 1.170
150 HB2 ASN 25 1HB ASN 25 -10.464 1.409 0.878
151 HB3 ASN 25 2HB ASN 25 -9.053 1.971 -0.015
152 HD21 ASN 25 1HD2 ASN 25 -8.177 0.683 -1.625
153 HD22 ASN 25 2HD2 ASN 25 -9.031 -0.660 -2.297
154 H SER 26 H SER 26 -9.936 2.116 3.155
155 HA SER 26 HA SER 26 -8.667 4.469 3.345
156 HB2 SER 26 1HB SER 26 -10.686 3.552 4.704
157 HB3 SER 26 2HB SER 26 -9.473 3.129 5.913
158 HG SER 26 HG SER 26 -8.815 5.382 5.800
159 H SER 27 H SER 27 -7.668 1.521 5.032
160 HA SER 27 HA SER 27 -5.460 2.763 6.358
161 HB2 SER 27 1HB SER 27 -5.953 -0.181 5.852
162 HB3 SER 27 2HB SER 27 -4.847 0.506 7.041
163 HG SER 27 HG SER 27 -6.604 0.180 8.229
164 H CYS 28 H CYS 28 -5.749 0.579 3.565
165 HA CYS 28 HA CYS 28 -3.078 0.301 2.927
166 HB2 CYS 28 1HB CYS 28 -5.071 -0.839 1.841
167 HB3 CYS 28 2HB CYS 28 -5.261 0.613 0.866
168 HG CYS 28 HG CYS 28 -3.138 0.293 -0.696
169 H THR 29 H THR 29 -5.297 2.913 2.061
170 HA THR 29 HA THR 29 -3.523 4.299 0.353
171 HB THR 29 HB THR 29 -5.012 6.254 0.710
172 HG1 THR 29 HG1 THR 29 -6.106 4.526 2.677
173 HG21 THR 29 3HG2 THR 29 -6.916 4.010 0.390
174 HG22 THR 29 1HG2 THR 29 -5.530 4.031 -0.700
175 HG23 THR 29 2HG2 THR 29 -6.629 5.409 -0.645
176 H GLN 30 H GLN 30 -4.637 5.408 3.553
177 HA GLN 30 HA GLN 30 -2.838 7.364 4.046
178 HB2 GLN 30 1HB GLN 30 -3.162 7.000 6.410
179 HB3 GLN 30 2HB GLN 30 -4.678 6.693 5.572
180 HG2 GLN 30 1HG GLN 30 -4.275 4.294 5.703
181 HG3 GLN 30 2HG GLN 30 -2.744 4.592 6.525
182 HE21 GLN 30 1HE2 GLN 30 -6.213 4.693 6.793
183 HE22 GLN 30 2HE2 GLN 30 -6.277 4.823 8.514
184 H HIS 31 H HIS 31 -2.295 3.903 4.606
185 HA HIS 31 HA HIS 31 0.066 3.769 5.863
186 HB2 HIS 31 1HB HIS 31 -0.673 1.689 5.208
187 HB3 HIS 31 2HB HIS 31 -1.031 2.214 3.566
188 HD1 HIS 31 HD1 HIS 31 2.125 1.791 5.665
189 HD2 HIS 31 HD2 HIS 31 0.714 1.156 1.809
190 HE1 HIS 31 HE1 HIS 31 4.038 0.743 4.413
191 H GLN 32 H GLN 32 -0.238 4.423 2.377
192 HA GLN 32 HA GLN 32 2.324 4.599 1.560
193 HB2 GLN 32 1HB GLN 32 0.113 5.224 0.338
194 HB3 GLN 32 2HB GLN 32 0.474 6.859 0.874
195 HG2 GLN 32 1HG GLN 32 2.441 6.962 -0.393
196 HG3 GLN 32 2HG GLN 32 2.471 5.217 -0.641
197 HE21 GLN 32 1HE2 GLN 32 2.793 6.550 -2.838
198 HE22 GLN 32 2HE2 GLN 32 1.361 6.617 -3.802
199 H ARG 33 H ARG 33 0.602 7.119 3.369
200 HA ARG 33 HA ARG 33 2.366 9.173 3.392
201 HB2 ARG 33 1HB ARG 33 0.670 8.047 5.604
202 HB3 ARG 33 2HB ARG 33 1.670 9.470 5.866
203 HG2 ARG 33 1HG ARG 33 -0.141 9.454 3.515
204 HG3 ARG 33 2HG ARG 33 -0.851 9.654 5.118
205 HD2 ARG 33 1HD ARG 33 -0.437 11.840 4.624
206 HD3 ARG 33 2HD ARG 33 1.107 11.417 5.362
207 HE ARG 33 HE ARG 33 2.121 11.589 3.297
208 HH11 ARG 33 1HH1 ARG 33 -1.340 11.754 2.953
209 HH12 ARG 33 2HH1 ARG 33 -1.282 12.268 1.300
210 HH21 ARG 33 1HH2 ARG 33 2.210 12.265 1.120
211 HH22 ARG 33 2HH2 ARG 33 0.738 12.557 0.258
212 H LEU 34 H LEU 34 2.564 6.285 5.450
213 HA LEU 34 HA LEU 34 4.828 6.997 6.914
214 HB2 LEU 34 1HB LEU 34 4.037 4.230 6.016
215 HB3 LEU 34 2HB LEU 34 5.101 4.628 7.363
216 HG LEU 34 HG LEU 34 2.203 5.438 7.273
217 HD11 LEU 34 1HD1 LEU 34 3.065 3.189 8.982
218 HD12 LEU 34 2HD1 LEU 34 2.915 2.859 7.256
219 HD13 LEU 34 3HD1 LEU 34 1.530 3.472 8.161
220 HD21 LEU 34 3HD2 LEU 34 2.723 6.552 9.119
221 HD22 LEU 34 1HD2 LEU 34 4.396 6.004 9.008
222 HD23 LEU 34 2HD2 LEU 34 3.207 5.036 9.881
223 H HIS 35 H HIS 35 4.547 5.378 3.781
224 HA HIS 35 HA HIS 35 7.298 4.829 3.450
225 HB2 HIS 35 1HB HIS 35 4.906 4.894 1.681
226 HB3 HIS 35 2HB HIS 35 6.485 4.958 0.905
227 HD1 HIS 35 HD1 HIS 35 7.767 3.006 3.162
228 HD2 HIS 35 HD2 HIS 35 4.455 2.288 0.758
229 HE1 HIS 35 HE1 HIS 35 7.541 0.503 3.058
230 H THR 36 H THR 36 5.327 7.644 2.792
231 HA THR 36 HA THR 36 7.630 9.005 1.582
232 HB THR 36 HB THR 36 5.549 9.112 0.288
233 HG1 THR 36 HG1 THR 36 5.710 11.280 -0.106
234 HG21 THR 36 3HG2 THR 36 3.591 10.241 1.098
235 HG22 THR 36 1HG2 THR 36 4.401 10.672 2.603
236 HG23 THR 36 2HG2 THR 36 4.017 8.985 2.259
237 H GLY 37 H GLY 37 7.690 8.519 4.361
238 HA2 GLY 37 1HA GLY 37 7.330 11.257 5.418
239 HA3 GLY 37 2HA GLY 37 7.123 9.813 6.398
240 H GLN 38 H GLN 38 9.265 12.215 5.418
241 HA GLN 38 HA GLN 38 11.751 11.003 5.437
242 HB2 GLN 38 1HB GLN 38 11.269 13.410 4.929
243 HB3 GLN 38 2HB GLN 38 11.116 13.692 6.658
244 HG2 GLN 38 1HG GLN 38 13.279 14.310 6.358
245 HG3 GLN 38 2HG GLN 38 13.508 12.597 6.706
246 HE21 GLN 38 1HE2 GLN 38 13.618 15.074 4.291
247 HE22 GLN 38 2HE2 GLN 38 14.411 14.142 3.072
248 H ARG 39 H ARG 39 12.398 9.553 6.897
249 HA ARG 39 HA ARG 39 11.644 9.776 9.679
250 HB2 ARG 39 1HB ARG 39 12.757 7.642 9.961
251 HB3 ARG 39 2HB ARG 39 11.725 7.583 8.539
252 HG2 ARG 39 1HG ARG 39 13.580 6.596 7.686
253 HG3 ARG 39 2HG ARG 39 13.973 8.279 7.330
254 HD2 ARG 39 1HD ARG 39 15.881 7.128 8.316
255 HD3 ARG 39 2HD ARG 39 15.296 8.406 9.380
256 HE ARG 39 HE ARG 39 14.008 6.247 10.323
257 HH11 ARG 39 1HH1 ARG 39 17.352 6.822 9.546
258 HH12 ARG 39 2HH1 ARG 39 17.955 5.722 10.741
259 HH21 ARG 39 1HH2 ARG 39 14.789 4.796 11.900
260 HH22 ARG 39 2HH2 ARG 39 16.496 4.570 12.079
261 HA PRO 40 HA PRO 40 15.210 11.949 11.065
262 HB2 PRO 40 1HB PRO 40 15.246 11.127 13.652
263 HB3 PRO 40 2HB PRO 40 14.062 12.281 13.027
264 HG2 PRO 40 1HG PRO 40 13.770 9.340 13.507
265 HG3 PRO 40 2HG PRO 40 12.633 10.652 13.871
266 HD2 PRO 40 1HD PRO 40 12.372 9.060 11.696
267 HD3 PRO 40 2HD PRO 40 11.869 10.762 11.699
268 H SER 41 H SER 41 17.381 11.649 11.711
269 HA SER 41 HA SER 41 18.381 8.953 11.192
270 HB2 SER 41 1HB SER 41 20.617 10.130 11.089
271 HB3 SER 41 2HB SER 41 19.447 10.645 9.874
272 HG SER 41 HG SER 41 20.575 12.056 11.937
273 H GLY 42 H GLY 42 18.710 7.661 12.871
274 HA2 GLY 42 1HA GLY 42 18.815 8.561 15.556
275 HA3 GLY 42 2HA GLY 42 19.178 6.934 15.000
276 HA PRO 43 HA PRO 43 23.373 7.627 16.100
277 HB2 PRO 43 1HB PRO 43 24.561 5.760 14.528
278 HB3 PRO 43 2HB PRO 43 23.631 5.348 15.973
279 HG2 PRO 43 1HG PRO 43 22.795 5.281 13.099
280 HG3 PRO 43 2HG PRO 43 22.484 4.097 14.383
281 HD2 PRO 43 1HD PRO 43 20.631 5.904 13.588
282 HD3 PRO 43 2HD PRO 43 20.738 5.319 15.261
283 H SER 44 H SER 44 22.463 7.592 12.695
284 HA SER 44 HA SER 44 24.870 8.626 11.653
285 HB2 SER 44 1HB SER 44 22.072 8.345 10.676
286 HB3 SER 44 2HB SER 44 23.117 9.480 9.823
287 HG SER 44 HG SER 44 23.149 7.268 9.026
288 H SER 45 H SER 45 25.342 10.747 10.894
289 HA SER 45 HA SER 45 24.340 12.808 12.682
290 HB2 SER 45 1HB SER 45 26.700 12.523 10.874
291 HB3 SER 45 2HB SER 45 26.152 14.149 11.280
292 HG SER 45 HG SER 45 26.418 12.322 13.367
293 H GLY 46 H GLY 46 22.992 14.412 12.128
294 HA2 GLY 46 1HA GLY 46 22.729 15.506 9.545
295 HA3 GLY 46 2HA GLY 46 21.471 14.301 9.779
Start of MODEL 12
1 H1 GLY 1 H GLY 1 18.679 -19.393 -22.668
2 HA2 GLY 1 1HA GLY 1 16.869 -18.904 -24.217
3 HA3 GLY 1 2HA GLY 1 15.924 -20.149 -23.413
4 H SER 2 H SER 2 16.248 -16.911 -23.758
5 HA SER 2 HA SER 2 16.044 -15.812 -21.222
6 HB2 SER 2 1HB SER 2 14.908 -14.961 -23.880
7 HB3 SER 2 2HB SER 2 14.652 -14.005 -22.420
8 HG SER 2 HG SER 2 16.501 -13.317 -23.572
9 H SER 3 H SER 3 14.631 -16.112 -19.645
10 HA SER 3 HA SER 3 12.153 -17.496 -20.112
11 HB2 SER 3 1HB SER 3 13.671 -16.565 -17.721
12 HB3 SER 3 2HB SER 3 11.941 -16.851 -17.534
13 HG SER 3 HG SER 3 12.246 -18.965 -18.205
14 H GLY 4 H GLY 4 10.239 -16.610 -20.517
15 HA2 GLY 4 1HA GLY 4 9.809 -13.918 -20.983
16 HA3 GLY 4 2HA GLY 4 8.532 -15.077 -20.644
17 H SER 5 H SER 5 8.694 -12.278 -19.873
18 HA SER 5 HA SER 5 9.357 -12.066 -17.121
19 HB2 SER 5 1HB SER 5 7.778 -10.365 -19.032
20 HB3 SER 5 2HB SER 5 7.831 -9.972 -17.314
21 HG SER 5 HG SER 5 10.224 -10.463 -18.697
22 H SER 6 H SER 6 7.934 -11.823 -15.328
23 HA SER 6 HA SER 6 6.135 -13.801 -14.880
24 HB2 SER 6 1HB SER 6 5.256 -12.486 -13.025
25 HB3 SER 6 2HB SER 6 7.001 -12.257 -13.139
26 HG SER 6 HG SER 6 6.544 -10.215 -13.228
27 H GLY 7 H GLY 7 4.046 -14.254 -15.317
28 HA2 GLY 7 1HA GLY 7 2.508 -12.201 -16.786
29 HA3 GLY 7 2HA GLY 7 2.496 -13.898 -17.242
30 H THR 8 H THR 8 2.329 -15.009 -14.645
31 HA THR 8 HA THR 8 -0.339 -15.309 -14.242
32 HB THR 8 HB THR 8 1.360 -16.653 -13.073
33 HG1 THR 8 HG1 THR 8 -0.182 -15.550 -11.002
34 HG21 THR 8 3HG2 THR 8 1.710 -14.154 -11.420
35 HG22 THR 8 1HG2 THR 8 2.932 -14.985 -12.381
36 HG23 THR 8 2HG2 THR 8 2.287 -15.745 -10.926
37 H GLY 9 H GLY 9 -1.831 -14.518 -12.620
38 HA2 GLY 9 1HA GLY 9 -2.313 -11.836 -12.648
39 HA3 GLY 9 2HA GLY 9 -2.855 -12.888 -11.349
40 H GLU 10 H GLU 10 -2.382 -10.336 -10.703
41 HA GLU 10 HA GLU 10 0.016 -10.553 -9.038
42 HB2 GLU 10 1HB GLU 10 0.349 -9.148 -11.205
43 HB3 GLU 10 2HB GLU 10 -0.614 -7.938 -10.368
44 HG2 GLU 10 1HG GLU 10 1.926 -7.773 -10.206
45 HG3 GLU 10 2HG GLU 10 0.991 -7.617 -8.720
46 H LYS 11 H LYS 11 0.040 -8.638 -7.423
47 HA LYS 11 HA LYS 11 -2.705 -8.299 -6.409
48 HB2 LYS 11 1HB LYS 11 -0.080 -8.726 -5.031
49 HB3 LYS 11 2HB LYS 11 -1.373 -7.878 -4.193
50 HG2 LYS 11 1HG LYS 11 -1.878 -10.537 -5.462
51 HG3 LYS 11 2HG LYS 11 -1.118 -10.424 -3.873
52 HD2 LYS 11 1HD LYS 11 -3.009 -9.306 -2.959
53 HD3 LYS 11 2HD LYS 11 -3.724 -9.075 -4.556
54 HE2 LYS 11 1HE LYS 11 -3.220 -11.773 -3.312
55 HE3 LYS 11 2HE LYS 11 -4.752 -10.909 -3.193
56 HZ1 LYS 11 3HZ LYS 11 -5.295 -11.438 -5.281
57 HZ2 LYS 11 1HZ LYS 11 -4.110 -12.638 -5.152
58 HZ3 LYS 11 2HZ LYS 11 -3.739 -11.158 -5.882
59 HA PRO 12 HA PRO 12 -1.250 -4.063 -7.544
60 HB2 PRO 12 1HB PRO 12 -3.661 -3.253 -8.493
61 HB3 PRO 12 2HB PRO 12 -2.481 -4.120 -9.483
62 HG2 PRO 12 1HG PRO 12 -4.903 -5.167 -8.069
63 HG3 PRO 12 2HG PRO 12 -4.312 -5.537 -9.700
64 HD2 PRO 12 1HD PRO 12 -3.902 -7.188 -7.593
65 HD3 PRO 12 2HD PRO 12 -2.741 -7.035 -8.928
66 H TYR 13 H TYR 13 -3.740 -5.386 -5.557
67 HA TYR 13 HA TYR 13 -4.291 -2.801 -4.302
68 HB2 TYR 13 1HB TYR 13 -5.578 -5.325 -3.368
69 HB3 TYR 13 2HB TYR 13 -6.247 -3.701 -3.483
70 HD1 TYR 13 HD2 TYR 13 -6.192 -2.844 -6.104
71 HD2 TYR 13 HD1 TYR 13 -6.577 -6.861 -4.754
72 HE1 TYR 13 HE2 TYR 13 -7.293 -3.443 -8.220
73 HE2 TYR 13 HE1 TYR 13 -7.677 -7.472 -6.867
74 HH TYR 13 HH TYR 13 -8.028 -6.766 -9.032
75 H LYS 14 H LYS 14 -1.700 -3.969 -3.980
76 HA LYS 14 HA LYS 14 -1.691 -4.236 -1.061
77 HB2 LYS 14 1HB LYS 14 -0.628 -6.176 -3.049
78 HB3 LYS 14 2HB LYS 14 0.343 -5.883 -1.611
79 HG2 LYS 14 1HG LYS 14 -2.548 -6.449 -1.248
80 HG3 LYS 14 2HG LYS 14 -1.484 -7.783 -1.699
81 HD2 LYS 14 1HD LYS 14 -0.875 -5.939 0.598
82 HD3 LYS 14 2HD LYS 14 -1.852 -7.397 0.789
83 HE2 LYS 14 1HE LYS 14 0.907 -7.414 -0.415
84 HE3 LYS 14 2HE LYS 14 0.613 -7.624 1.311
85 HZ1 LYS 14 3HZ LYS 14 -0.976 -9.334 -0.387
86 HZ2 LYS 14 1HZ LYS 14 -0.100 -9.708 1.012
87 HZ3 LYS 14 2HZ LYS 14 0.688 -9.623 -0.483
88 H CYS 15 H CYS 15 0.604 -4.005 -0.197
89 HA CYS 15 HA CYS 15 1.769 -1.652 -1.427
90 HB2 CYS 15 1HB CYS 15 1.341 -2.055 1.105
91 HB3 CYS 15 2HB CYS 15 2.831 -2.992 1.043
92 H MET 16 H MET 16 3.288 -1.831 -2.926
93 HA MET 16 HA MET 16 4.897 -4.253 -3.093
94 HB2 MET 16 1HB MET 16 4.685 -1.866 -4.936
95 HB3 MET 16 2HB MET 16 5.677 -3.285 -5.247
96 HG2 MET 16 1HG MET 16 3.625 -4.670 -5.191
97 HG3 MET 16 2HG MET 16 2.680 -3.192 -5.027
98 HE1 MET 16 3HE MET 16 1.662 -3.502 -8.627
99 HE2 MET 16 1HE MET 16 1.571 -4.698 -7.334
100 HE3 MET 16 2HE MET 16 1.249 -2.999 -6.987
101 H GLU 17 H GLU 17 5.141 -1.633 -1.282
102 HA GLU 17 HA GLU 17 7.944 -1.020 -1.800
103 HB2 GLU 17 1HB GLU 17 6.013 0.123 0.227
104 HB3 GLU 17 2HB GLU 17 7.660 0.683 -0.028
105 HG2 GLU 17 1HG GLU 17 6.790 0.946 -2.514
106 HG3 GLU 17 2HG GLU 17 5.239 1.081 -1.688
107 H CYS 18 H CYS 18 5.954 -2.070 0.966
108 HA CYS 18 HA CYS 18 8.379 -3.195 2.191
109 HB2 CYS 18 1HB CYS 18 7.191 -3.125 4.306
110 HB3 CYS 18 2HB CYS 18 7.115 -1.542 3.539
111 H GLY 19 H GLY 19 4.977 -3.936 1.489
112 HA2 GLY 19 1HA GLY 19 4.260 -6.030 0.632
113 HA3 GLY 19 2HA GLY 19 5.713 -6.766 1.290
114 H LYS 20 H LYS 20 2.698 -5.181 2.306
115 HA LYS 20 HA LYS 20 2.532 -7.132 4.502
116 HB2 LYS 20 1HB LYS 20 3.202 -4.685 5.123
117 HB3 LYS 20 2HB LYS 20 1.501 -4.337 4.846
118 HG2 LYS 20 1HG LYS 20 0.905 -6.039 6.521
119 HG3 LYS 20 2HG LYS 20 2.622 -6.305 6.830
120 HD2 LYS 20 1HD LYS 20 2.614 -3.696 7.203
121 HD3 LYS 20 2HD LYS 20 0.900 -3.973 7.523
122 HE2 LYS 20 1HE LYS 20 2.930 -5.709 8.850
123 HE3 LYS 20 2HE LYS 20 2.666 -4.077 9.461
124 HZ1 LYS 20 3HZ LYS 20 1.076 -5.091 10.654
125 HZ2 LYS 20 1HZ LYS 20 0.944 -6.405 9.595
126 HZ3 LYS 20 2HZ LYS 20 0.159 -4.950 9.239
127 H ALA 21 H ALA 21 0.401 -7.678 5.177
128 HA ALA 21 HA ALA 21 -1.515 -7.582 3.009
129 HB1 ALA 21 3HB ALA 21 -2.826 -8.939 4.903
130 HB2 ALA 21 1HB ALA 21 -1.617 -9.680 3.854
131 HB3 ALA 21 2HB ALA 21 -1.175 -9.166 5.483
132 H PHE 22 H PHE 22 -3.440 -6.523 2.989
133 HA PHE 22 HA PHE 22 -4.195 -4.980 5.371
134 HB2 PHE 22 1HB PHE 22 -4.086 -3.889 2.551
135 HB3 PHE 22 2HB PHE 22 -4.715 -3.030 3.953
136 HD1 PHE 22 HD1 PHE 22 -1.673 -4.407 2.399
137 HD2 PHE 22 HD2 PHE 22 -3.269 -1.951 5.487
138 HE1 PHE 22 HE1 PHE 22 0.582 -3.544 2.874
139 HE2 PHE 22 HE2 PHE 22 -1.017 -1.084 5.967
140 HZ PHE 22 HZ PHE 22 0.912 -1.879 4.659
141 H GLY 23 H GLY 23 -6.405 -4.581 5.615
142 HA2 GLY 23 1HA GLY 23 -8.101 -6.394 4.062
143 HA3 GLY 23 2HA GLY 23 -8.510 -5.665 5.607
144 H ASP 24 H ASP 24 -8.174 -3.025 5.218
145 HA ASP 24 HA ASP 24 -10.127 -2.436 3.097
146 HB2 ASP 24 1HB ASP 24 -9.555 -1.015 5.703
147 HB3 ASP 24 2HB ASP 24 -10.632 -0.384 4.459
148 H ASN 25 H ASN 25 -9.616 -1.064 1.501
149 HA ASN 25 HA ASN 25 -7.013 -0.358 0.906
150 HB2 ASN 25 1HB ASN 25 -9.344 1.311 -0.013
151 HB3 ASN 25 2HB ASN 25 -7.874 0.898 -0.890
152 HD21 ASN 25 1HD2 ASN 25 -7.693 -1.106 -1.866
153 HD22 ASN 25 2HD2 ASN 25 -9.055 -2.139 -2.116
154 H SER 26 H SER 26 -9.521 1.602 2.472
155 HA SER 26 HA SER 26 -8.398 4.052 2.643
156 HB2 SER 26 1HB SER 26 -10.548 3.087 3.771
157 HB3 SER 26 2HB SER 26 -9.496 2.849 5.166
158 HG SER 26 HG SER 26 -9.382 4.951 5.459
159 H SER 27 H SER 27 -7.623 1.326 4.789
160 HA SER 27 HA SER 27 -5.776 2.611 6.425
161 HB2 SER 27 1HB SER 27 -6.264 -0.224 5.636
162 HB3 SER 27 2HB SER 27 -4.750 0.153 6.458
163 HG SER 27 HG SER 27 -7.276 0.013 7.456
164 H CYS 28 H CYS 28 -5.249 0.873 3.374
165 HA CYS 28 HA CYS 28 -2.481 1.055 3.254
166 HB2 CYS 28 1HB CYS 28 -4.123 -0.185 1.695
167 HB3 CYS 28 2HB CYS 28 -4.215 1.333 0.810
168 HG CYS 28 HG CYS 28 -1.309 -0.392 1.356
169 H THR 29 H THR 29 -4.909 3.474 2.690
170 HA THR 29 HA THR 29 -3.442 5.312 1.173
171 HB THR 29 HB THR 29 -5.484 6.054 3.270
172 HG1 THR 29 HG1 THR 29 -5.767 4.834 0.748
173 HG21 THR 29 3HG2 THR 29 -5.922 7.663 1.143
174 HG22 THR 29 1HG2 THR 29 -4.181 7.422 1.003
175 HG23 THR 29 2HG2 THR 29 -4.864 8.085 2.488
176 H GLN 30 H GLN 30 -4.000 5.329 4.700
177 HA GLN 30 HA GLN 30 -2.100 7.377 5.195
178 HB2 GLN 30 1HB GLN 30 -2.448 6.906 7.534
179 HB3 GLN 30 2HB GLN 30 -3.998 6.836 6.705
180 HG2 GLN 30 1HG GLN 30 -4.202 4.575 6.977
181 HG3 GLN 30 2HG GLN 30 -2.461 4.319 7.074
182 HE21 GLN 30 1HE2 GLN 30 -5.099 5.909 8.827
183 HE22 GLN 30 2HE2 GLN 30 -4.516 5.518 10.406
184 H HIS 31 H HIS 31 -1.813 4.017 4.645
185 HA HIS 31 HA HIS 31 0.722 3.740 6.019
186 HB2 HIS 31 1HB HIS 31 -0.656 1.794 6.035
187 HB3 HIS 31 2HB HIS 31 -0.905 1.874 4.293
188 HD1 HIS 31 HD1 HIS 31 1.558 0.776 6.876
189 HD2 HIS 31 HD2 HIS 31 1.178 0.821 2.739
190 HE1 HIS 31 HE1 HIS 31 3.390 -0.717 6.016
191 H GLN 32 H GLN 32 -0.336 4.874 3.026
192 HA GLN 32 HA GLN 32 2.067 4.130 1.575
193 HB2 GLN 32 1HB GLN 32 -0.358 4.358 0.634
194 HB3 GLN 32 2HB GLN 32 0.023 6.073 0.558
195 HG2 GLN 32 1HG GLN 32 1.741 5.737 -0.999
196 HG3 GLN 32 2HG GLN 32 1.792 4.002 -0.691
197 HE21 GLN 32 1HE2 GLN 32 0.515 2.675 -1.843
198 HE22 GLN 32 2HE2 GLN 32 -0.611 3.197 -3.045
199 H ARG 33 H ARG 33 0.468 7.153 2.575
200 HA ARG 33 HA ARG 33 2.457 8.917 1.751
201 HB2 ARG 33 1HB ARG 33 1.423 10.546 3.138
202 HB3 ARG 33 2HB ARG 33 0.135 9.494 2.566
203 HG2 ARG 33 1HG ARG 33 0.064 8.349 4.681
204 HG3 ARG 33 2HG ARG 33 1.458 9.264 5.260
205 HD2 ARG 33 1HD ARG 33 -0.396 10.335 6.213
206 HD3 ARG 33 2HD ARG 33 0.051 11.348 4.841
207 HE ARG 33 HE ARG 33 -2.360 9.778 5.141
208 HH11 ARG 33 1HH1 ARG 33 -0.258 11.505 2.970
209 HH12 ARG 33 2HH1 ARG 33 -1.480 11.740 1.765
210 HH21 ARG 33 1HH2 ARG 33 -3.978 10.081 3.563
211 HH22 ARG 33 2HH2 ARG 33 -3.596 10.931 2.104
212 H LEU 34 H LEU 34 2.289 6.849 4.542
213 HA LEU 34 HA LEU 34 4.261 8.133 6.114
214 HB2 LEU 34 1HB LEU 34 4.074 6.361 7.549
215 HB3 LEU 34 2HB LEU 34 2.531 6.270 6.702
216 HG LEU 34 HG LEU 34 3.710 4.551 5.185
217 HD11 LEU 34 1HD1 LEU 34 5.394 3.353 6.943
218 HD12 LEU 34 2HD1 LEU 34 5.743 5.056 7.237
219 HD13 LEU 34 3HD1 LEU 34 5.905 4.391 5.612
220 HD21 LEU 34 3HD2 LEU 34 2.113 4.333 7.386
221 HD22 LEU 34 1HD2 LEU 34 3.485 3.320 7.831
222 HD23 LEU 34 2HD2 LEU 34 2.594 2.992 6.345
223 H HIS 35 H HIS 35 4.407 5.568 3.686
224 HA HIS 35 HA HIS 35 7.090 4.850 4.003
225 HB2 HIS 35 1HB HIS 35 5.085 4.629 1.816
226 HB3 HIS 35 2HB HIS 35 6.777 4.393 1.386
227 HD1 HIS 35 HD1 HIS 35 7.412 2.980 4.231
228 HD2 HIS 35 HD2 HIS 35 4.499 1.917 1.466
229 HE1 HIS 35 HE1 HIS 35 6.921 0.553 4.671
230 H THR 36 H THR 36 5.598 7.414 2.087
231 HA THR 36 HA THR 36 8.218 8.304 1.152
232 HB THR 36 HB THR 36 6.984 9.905 -0.240
233 HG1 THR 36 HG1 THR 36 5.176 10.086 1.290
234 HG21 THR 36 3HG2 THR 36 6.515 8.362 -1.824
235 HG22 THR 36 1HG2 THR 36 5.436 7.453 -0.766
236 HG23 THR 36 2HG2 THR 36 7.182 7.235 -0.644
237 H GLY 37 H GLY 37 8.318 10.862 1.048
238 HA2 GLY 37 1HA GLY 37 7.181 12.553 2.863
239 HA3 GLY 37 2HA GLY 37 8.417 11.718 3.791
240 H GLN 38 H GLN 38 10.511 11.509 2.138
241 HA GLN 38 HA GLN 38 12.362 12.696 1.526
242 HB2 GLN 38 1HB GLN 38 10.129 13.747 -0.139
243 HB3 GLN 38 2HB GLN 38 11.663 14.605 -0.195
244 HG2 GLN 38 1HG GLN 38 12.761 12.428 -0.747
245 HG3 GLN 38 2HG GLN 38 11.150 11.726 -0.892
246 HE21 GLN 38 1HE2 GLN 38 9.982 12.072 -2.704
247 HE22 GLN 38 2HE2 GLN 38 10.545 12.976 -4.064
248 H ARG 39 H ARG 39 11.473 13.487 3.996
249 HA ARG 39 HA ARG 39 12.009 16.383 3.945
250 HB2 ARG 39 1HB ARG 39 10.689 16.234 6.238
251 HB3 ARG 39 2HB ARG 39 9.851 16.454 4.707
252 HG2 ARG 39 1HG ARG 39 8.636 14.802 5.816
253 HG3 ARG 39 2HG ARG 39 9.630 13.915 4.658
254 HD2 ARG 39 1HD ARG 39 9.567 12.887 6.919
255 HD3 ARG 39 2HD ARG 39 11.190 13.305 6.374
256 HE ARG 39 HE ARG 39 11.339 14.831 8.080
257 HH11 ARG 39 1HH1 ARG 39 8.027 13.825 7.713
258 HH12 ARG 39 2HH1 ARG 39 7.491 14.609 9.162
259 HH21 ARG 39 1HH2 ARG 39 10.646 15.868 9.990
260 HH22 ARG 39 2HH2 ARG 39 8.982 15.772 10.456
261 HA PRO 40 HA PRO 40 15.236 14.099 6.421
262 HB2 PRO 40 1HB PRO 40 17.360 15.280 5.211
263 HB3 PRO 40 2HB PRO 40 16.594 13.813 4.590
264 HG2 PRO 40 1HG PRO 40 16.234 16.654 3.715
265 HG3 PRO 40 2HG PRO 40 16.401 15.191 2.726
266 HD2 PRO 40 1HD PRO 40 14.004 16.347 3.223
267 HD3 PRO 40 2HD PRO 40 14.193 14.595 3.009
268 H SER 41 H SER 41 14.778 17.458 5.501
269 HA SER 41 HA SER 41 16.510 18.766 7.191
270 HB2 SER 41 1HB SER 41 14.724 19.663 5.473
271 HB3 SER 41 2HB SER 41 13.717 19.813 6.913
272 HG SER 41 HG SER 41 15.482 21.048 7.831
273 H GLY 42 H GLY 42 16.811 18.653 9.309
274 HA2 GLY 42 1HA GLY 42 14.800 17.487 11.028
275 HA3 GLY 42 2HA GLY 42 16.414 17.994 11.502
276 HA PRO 43 HA PRO 43 14.592 21.421 13.558
277 HB2 PRO 43 1HB PRO 43 16.744 23.074 13.655
278 HB3 PRO 43 2HB PRO 43 16.594 21.633 14.667
279 HG2 PRO 43 1HG PRO 43 18.116 22.007 12.117
280 HG3 PRO 43 2HG PRO 43 18.609 21.173 13.602
281 HD2 PRO 43 1HD PRO 43 17.713 19.849 11.416
282 HD3 PRO 43 2HD PRO 43 17.434 19.263 13.069
283 H SER 44 H SER 44 14.876 24.013 13.330
284 HA SER 44 HA SER 44 14.347 24.621 10.494
285 HB2 SER 44 1HB SER 44 12.802 26.386 11.306
286 HB3 SER 44 2HB SER 44 12.303 24.773 11.814
287 HG SER 44 HG SER 44 12.610 26.801 13.364
288 H SER 45 H SER 45 14.800 26.848 9.834
289 HA SER 45 HA SER 45 17.383 27.640 10.244
290 HB2 SER 45 1HB SER 45 15.986 28.519 8.429
291 HB3 SER 45 2HB SER 45 15.034 29.439 9.594
292 HG SER 45 HG SER 45 16.647 30.723 8.606
293 H GLY 46 H GLY 46 18.451 29.147 11.526
294 HA2 GLY 46 1HA GLY 46 18.618 30.770 13.233
295 HA3 GLY 46 2HA GLY 46 16.956 30.426 13.690
Start of MODEL 13
1 H1 GLY 1 H GLY 1 19.482 -11.515 2.592
2 HA2 GLY 1 1HA GLY 1 19.205 -12.955 0.689
3 HA3 GLY 1 2HA GLY 1 20.938 -12.797 0.933
4 H SER 2 H SER 2 18.199 -14.767 2.080
5 HA SER 2 HA SER 2 19.799 -17.165 1.604
6 HB2 SER 2 1HB SER 2 19.210 -18.097 3.815
7 HB3 SER 2 2HB SER 2 20.189 -16.637 3.962
8 HG SER 2 HG SER 2 17.824 -17.105 5.027
9 H SER 3 H SER 3 18.392 -19.175 1.987
10 HA SER 3 HA SER 3 16.164 -19.039 0.289
11 HB2 SER 3 1HB SER 3 17.299 -21.127 0.483
12 HB3 SER 3 2HB SER 3 17.087 -21.158 2.233
13 HG SER 3 HG SER 3 14.849 -21.098 0.527
14 H GLY 4 H GLY 4 13.988 -18.932 0.638
15 HA2 GLY 4 1HA GLY 4 13.081 -18.672 3.431
16 HA3 GLY 4 2HA GLY 4 12.637 -17.463 2.236
17 H SER 5 H SER 5 10.424 -17.949 2.713
18 HA SER 5 HA SER 5 9.259 -20.481 2.454
19 HB2 SER 5 1HB SER 5 7.124 -19.214 2.096
20 HB3 SER 5 2HB SER 5 8.037 -18.687 3.510
21 HG SER 5 HG SER 5 8.847 -16.962 2.225
22 H SER 6 H SER 6 9.014 -21.747 0.747
23 HA SER 6 HA SER 6 9.386 -20.634 -1.926
24 HB2 SER 6 1HB SER 6 9.228 -23.503 -0.972
25 HB3 SER 6 2HB SER 6 9.534 -23.009 -2.637
26 HG SER 6 HG SER 6 11.262 -23.213 -0.594
27 H GLY 7 H GLY 7 6.990 -19.882 -0.740
28 HA2 GLY 7 1HA GLY 7 4.919 -19.622 -1.934
29 HA3 GLY 7 2HA GLY 7 5.079 -21.281 -2.489
30 H THR 8 H THR 8 4.248 -19.227 0.224
31 HA THR 8 HA THR 8 3.307 -21.517 1.771
32 HB THR 8 HB THR 8 3.322 -18.578 2.488
33 HG1 THR 8 HG1 THR 8 5.011 -19.629 4.002
34 HG21 THR 8 3HG2 THR 8 1.681 -20.346 3.594
35 HG22 THR 8 1HG2 THR 8 2.491 -19.108 4.554
36 HG23 THR 8 2HG2 THR 8 3.132 -20.750 4.512
37 H GLY 9 H GLY 9 1.955 -18.351 0.804
38 HA2 GLY 9 1HA GLY 9 -0.273 -19.022 -0.520
39 HA3 GLY 9 2HA GLY 9 -0.739 -19.385 1.135
40 H GLU 10 H GLU 10 0.837 -16.750 -0.683
41 HA GLU 10 HA GLU 10 -0.714 -14.847 0.944
42 HB2 GLU 10 1HB GLU 10 2.042 -14.779 -0.174
43 HB3 GLU 10 2HB GLU 10 1.158 -13.261 -0.109
44 HG2 GLU 10 1HG GLU 10 2.612 -13.697 1.857
45 HG3 GLU 10 2HG GLU 10 0.918 -13.407 2.251
46 H LYS 11 H LYS 11 -1.665 -13.043 -0.076
47 HA LYS 11 HA LYS 11 -2.829 -13.588 -2.596
48 HB2 LYS 11 1HB LYS 11 -2.774 -11.134 -0.847
49 HB3 LYS 11 2HB LYS 11 -3.613 -11.160 -2.393
50 HG2 LYS 11 1HG LYS 11 -5.081 -12.899 -1.633
51 HG3 LYS 11 2HG LYS 11 -4.170 -13.065 -0.130
52 HD2 LYS 11 1HD LYS 11 -4.835 -10.873 0.584
53 HD3 LYS 11 2HD LYS 11 -5.581 -10.539 -0.980
54 HE2 LYS 11 1HE LYS 11 -7.438 -11.119 0.213
55 HE3 LYS 11 2HE LYS 11 -6.964 -12.709 -0.384
56 HZ1 LYS 11 3HZ LYS 11 -7.268 -11.905 2.260
57 HZ2 LYS 11 1HZ LYS 11 -5.615 -12.181 2.028
58 HZ3 LYS 11 2HZ LYS 11 -6.732 -13.405 1.689
59 HA PRO 12 HA PRO 12 0.181 -11.997 -5.385
60 HB2 PRO 12 1HB PRO 12 -1.435 -11.411 -7.486
61 HB3 PRO 12 2HB PRO 12 -1.003 -13.066 -7.039
62 HG2 PRO 12 1HG PRO 12 -3.498 -11.529 -6.428
63 HG3 PRO 12 2HG PRO 12 -3.322 -13.214 -6.949
64 HD2 PRO 12 1HD PRO 12 -3.754 -12.526 -4.366
65 HD3 PRO 12 2HD PRO 12 -2.795 -13.948 -4.828
66 H TYR 13 H TYR 13 -2.282 -10.121 -4.015
67 HA TYR 13 HA TYR 13 -1.227 -7.661 -5.242
68 HB2 TYR 13 1HB TYR 13 -3.751 -7.650 -3.652
69 HB3 TYR 13 2HB TYR 13 -3.298 -6.673 -5.044
70 HD1 TYR 13 HD2 TYR 13 -2.792 -8.338 -7.205
71 HD2 TYR 13 HD1 TYR 13 -5.552 -9.023 -4.040
72 HE1 TYR 13 HE2 TYR 13 -4.100 -9.815 -8.673
73 HE2 TYR 13 HE1 TYR 13 -6.867 -10.503 -5.499
74 HH TYR 13 HH TYR 13 -7.059 -11.408 -7.513
75 H LYS 14 H LYS 14 0.490 -7.204 -3.934
76 HA LYS 14 HA LYS 14 -0.171 -6.438 -1.184
77 HB2 LYS 14 1HB LYS 14 1.912 -8.393 -2.051
78 HB3 LYS 14 2HB LYS 14 2.273 -7.336 -0.693
79 HG2 LYS 14 1HG LYS 14 -0.254 -8.938 -0.762
80 HG3 LYS 14 2HG LYS 14 1.268 -9.653 -0.224
81 HD2 LYS 14 1HD LYS 14 0.355 -7.049 0.929
82 HD3 LYS 14 2HD LYS 14 -0.345 -8.561 1.511
83 HE2 LYS 14 1HE LYS 14 2.624 -8.109 1.360
84 HE3 LYS 14 2HE LYS 14 1.672 -7.656 2.773
85 HZ1 LYS 14 3HZ LYS 14 2.318 -9.756 3.339
86 HZ2 LYS 14 1HZ LYS 14 2.317 -10.325 1.746
87 HZ3 LYS 14 2HZ LYS 14 0.855 -10.112 2.569
88 H CYS 15 H CYS 15 1.550 -5.046 -0.212
89 HA CYS 15 HA CYS 15 2.129 -2.879 -1.910
90 HB2 CYS 15 1HB CYS 15 1.848 -2.556 0.477
91 HB3 CYS 15 2HB CYS 15 3.238 -3.582 0.815
92 H MET 16 H MET 16 3.847 -2.373 -3.133
93 HA MET 16 HA MET 16 5.876 -4.381 -3.550
94 HB2 MET 16 1HB MET 16 6.657 -2.895 -5.350
95 HB3 MET 16 2HB MET 16 4.934 -3.221 -5.471
96 HG2 MET 16 1HG MET 16 4.735 -0.989 -4.113
97 HG3 MET 16 2HG MET 16 6.344 -0.700 -4.770
98 HE1 MET 16 3HE MET 16 3.711 1.404 -5.888
99 HE2 MET 16 1HE MET 16 2.507 0.279 -6.517
100 HE3 MET 16 2HE MET 16 3.108 0.095 -4.869
101 H GLU 17 H GLU 17 5.679 -1.137 -2.188
102 HA GLU 17 HA GLU 17 8.374 -0.548 -1.921
103 HB2 GLU 17 1HB GLU 17 6.731 1.127 -1.434
104 HB3 GLU 17 2HB GLU 17 6.037 0.153 -0.145
105 HG2 GLU 17 1HG GLU 17 7.259 1.661 1.057
106 HG3 GLU 17 2HG GLU 17 8.422 0.347 0.893
107 H CYS 18 H CYS 18 6.307 -1.841 0.686
108 HA CYS 18 HA CYS 18 8.691 -3.206 1.757
109 HB2 CYS 18 1HB CYS 18 7.811 -2.912 3.981
110 HB3 CYS 18 2HB CYS 18 7.822 -1.344 3.179
111 H GLY 19 H GLY 19 5.153 -3.385 1.466
112 HA2 GLY 19 1HA GLY 19 4.097 -5.385 0.652
113 HA3 GLY 19 2HA GLY 19 5.414 -6.315 1.351
114 H LYS 20 H LYS 20 2.335 -4.874 1.886
115 HA LYS 20 HA LYS 20 2.140 -6.278 4.437
116 HB2 LYS 20 1HB LYS 20 2.778 -3.748 4.679
117 HB3 LYS 20 2HB LYS 20 1.082 -3.477 4.299
118 HG2 LYS 20 1HG LYS 20 0.943 -3.554 6.561
119 HG3 LYS 20 2HG LYS 20 0.742 -5.273 6.212
120 HD2 LYS 20 1HD LYS 20 3.234 -5.508 6.502
121 HD3 LYS 20 2HD LYS 20 3.244 -3.849 7.104
122 HE2 LYS 20 1HE LYS 20 1.467 -5.964 8.284
123 HE3 LYS 20 2HE LYS 20 3.128 -5.731 8.828
124 HZ1 LYS 20 3HZ LYS 20 1.053 -3.608 8.821
125 HZ2 LYS 20 1HZ LYS 20 2.615 -3.492 9.460
126 HZ3 LYS 20 2HZ LYS 20 1.482 -4.523 10.178
127 H ALA 21 H ALA 21 0.087 -6.988 4.931
128 HA ALA 21 HA ALA 21 -1.825 -6.878 2.734
129 HB1 ALA 21 3HB ALA 21 -1.640 -8.591 5.200
130 HB2 ALA 21 1HB ALA 21 -3.024 -8.627 4.107
131 HB3 ALA 21 2HB ALA 21 -1.422 -9.072 3.517
132 H PHE 22 H PHE 22 -3.947 -6.177 2.937
133 HA PHE 22 HA PHE 22 -4.797 -4.977 5.452
134 HB2 PHE 22 1HB PHE 22 -4.667 -3.405 2.869
135 HB3 PHE 22 2HB PHE 22 -5.383 -2.841 4.376
136 HD1 PHE 22 HD2 PHE 22 -3.885 -2.575 6.392
137 HD2 PHE 22 HD1 PHE 22 -2.384 -3.156 2.452
138 HE1 PHE 22 HE2 PHE 22 -1.701 -1.687 7.097
139 HE2 PHE 22 HE1 PHE 22 -0.197 -2.269 3.150
140 HZ PHE 22 HZ PHE 22 0.146 -1.533 5.475
141 H GLY 23 H GLY 23 -7.102 -4.197 5.301
142 HA2 GLY 23 1HA GLY 23 -8.609 -6.059 3.579
143 HA3 GLY 23 2HA GLY 23 -9.160 -5.469 5.140
144 H ASP 24 H ASP 24 -8.793 -2.784 4.958
145 HA ASP 24 HA ASP 24 -10.615 -2.059 2.762
146 HB2 ASP 24 1HB ASP 24 -11.185 -0.086 4.256
147 HB3 ASP 24 2HB ASP 24 -11.709 -1.665 4.833
148 H ASN 25 H ASN 25 -10.369 0.085 1.832
149 HA ASN 25 HA ASN 25 -7.731 0.616 1.029
150 HB2 ASN 25 1HB ASN 25 -9.433 1.277 -0.465
151 HB3 ASN 25 2HB ASN 25 -10.302 2.165 0.783
152 HD21 ASN 25 1HD2 ASN 25 -8.040 2.334 -1.712
153 HD22 ASN 25 2HD2 ASN 25 -7.529 3.967 -1.473
154 H SER 26 H SER 26 -9.836 2.256 3.364
155 HA SER 26 HA SER 26 -8.437 4.469 4.033
156 HB2 SER 26 1HB SER 26 -10.563 3.501 5.119
157 HB3 SER 26 2HB SER 26 -9.465 2.657 6.210
158 HG SER 26 HG SER 26 -9.919 5.418 5.924
159 H SER 27 H SER 27 -7.830 1.255 5.450
160 HA SER 27 HA SER 27 -5.685 1.875 7.060
161 HB2 SER 27 1HB SER 27 -6.941 -0.394 6.629
162 HB3 SER 27 2HB SER 27 -5.626 -0.676 5.488
163 HG SER 27 HG SER 27 -5.509 -1.215 7.963
164 H CYS 28 H CYS 28 -5.633 0.997 3.621
165 HA CYS 28 HA CYS 28 -2.824 1.128 3.331
166 HB2 CYS 28 1HB CYS 28 -4.325 -0.045 1.745
167 HB3 CYS 28 2HB CYS 28 -4.952 1.511 1.216
168 HG CYS 28 HG CYS 28 -2.826 2.308 -0.181
169 H THR 29 H THR 29 -5.398 3.500 2.915
170 HA THR 29 HA THR 29 -4.341 5.568 1.610
171 HB THR 29 HB THR 29 -5.614 5.890 4.334
172 HG1 THR 29 HG1 THR 29 -6.815 5.770 1.749
173 HG21 THR 29 3HG2 THR 29 -6.336 8.066 3.498
174 HG22 THR 29 1HG2 THR 29 -5.499 7.772 1.974
175 HG23 THR 29 2HG2 THR 29 -4.578 7.943 3.468
176 H GLN 30 H GLN 30 -3.777 5.265 5.124
177 HA GLN 30 HA GLN 30 -1.716 7.185 5.189
178 HB2 GLN 30 1HB GLN 30 -1.249 6.328 7.443
179 HB3 GLN 30 2HB GLN 30 -2.972 6.571 7.187
180 HG2 GLN 30 1HG GLN 30 -3.010 4.069 6.581
181 HG3 GLN 30 2HG GLN 30 -1.440 4.012 7.380
182 HE21 GLN 30 1HE2 GLN 30 -4.708 3.710 7.807
183 HE22 GLN 30 2HE2 GLN 30 -4.783 3.892 9.524
184 H HIS 31 H HIS 31 -1.647 3.646 5.017
185 HA HIS 31 HA HIS 31 0.955 3.023 5.340
186 HB2 HIS 31 1HB HIS 31 -0.869 1.442 4.666
187 HB3 HIS 31 2HB HIS 31 -0.677 2.004 3.008
188 HD1 HIS 31 HD1 HIS 31 1.375 0.317 5.720
189 HD2 HIS 31 HD2 HIS 31 1.198 0.649 1.582
190 HE1 HIS 31 HE1 HIS 31 3.104 -1.285 4.842
191 H GLN 32 H GLN 32 -0.434 4.597 2.506
192 HA GLN 32 HA GLN 32 1.985 4.567 0.990
193 HB2 GLN 32 1HB GLN 32 -0.445 4.818 0.149
194 HB3 GLN 32 2HB GLN 32 -0.263 6.517 0.567
195 HG2 GLN 32 1HG GLN 32 0.181 5.892 -1.834
196 HG3 GLN 32 2HG GLN 32 1.428 6.841 -1.025
197 HE21 GLN 32 1HE2 GLN 32 3.099 6.188 -2.311
198 HE22 GLN 32 2HE2 GLN 32 3.717 4.575 -2.322
199 H ARG 33 H ARG 33 0.448 6.845 3.182
200 HA ARG 33 HA ARG 33 2.056 9.082 2.641
201 HB2 ARG 33 1HB ARG 33 0.473 8.210 5.042
202 HB3 ARG 33 2HB ARG 33 1.443 9.676 5.085
203 HG2 ARG 33 1HG ARG 33 0.182 10.462 3.069
204 HG3 ARG 33 2HG ARG 33 -0.882 9.070 3.279
205 HD2 ARG 33 1HD ARG 33 -1.348 9.871 5.596
206 HD3 ARG 33 2HD ARG 33 -0.421 11.324 5.226
207 HE ARG 33 HE ARG 33 -3.080 10.669 4.304
208 HH11 ARG 33 1HH1 ARG 33 -0.243 12.632 3.834
209 HH12 ARG 33 2HH1 ARG 33 -1.087 13.873 2.968
210 HH21 ARG 33 1HH2 ARG 33 -4.201 12.297 3.166
211 HH22 ARG 33 2HH2 ARG 33 -3.338 13.682 2.590
212 H LEU 34 H LEU 34 2.291 6.910 5.465
213 HA LEU 34 HA LEU 34 4.694 7.790 6.461
214 HB2 LEU 34 1HB LEU 34 4.763 5.872 7.741
215 HB3 LEU 34 2HB LEU 34 3.050 6.015 7.352
216 HG LEU 34 HG LEU 34 3.773 4.395 5.365
217 HD11 LEU 34 1HD1 LEU 34 5.534 3.335 7.524
218 HD12 LEU 34 2HD1 LEU 34 6.169 4.532 6.396
219 HD13 LEU 34 3HD1 LEU 34 5.544 2.998 5.792
220 HD21 LEU 34 3HD2 LEU 34 3.478 3.033 7.978
221 HD22 LEU 34 1HD2 LEU 34 2.594 2.802 6.469
222 HD23 LEU 34 2HD2 LEU 34 2.212 4.171 7.513
223 H HIS 35 H HIS 35 4.129 6.101 3.544
224 HA HIS 35 HA HIS 35 6.789 5.012 3.298
225 HB2 HIS 35 1HB HIS 35 4.322 5.045 1.635
226 HB3 HIS 35 2HB HIS 35 5.856 4.821 0.799
227 HD1 HIS 35 HD1 HIS 35 7.057 3.131 3.304
228 HD2 HIS 35 HD2 HIS 35 3.580 2.384 1.156
229 HE1 HIS 35 HE1 HIS 35 6.587 0.680 3.616
230 H THR 36 H THR 36 6.069 8.024 3.514
231 HA THR 36 HA THR 36 7.355 8.998 1.074
232 HB THR 36 HB THR 36 6.784 11.261 1.934
233 HG1 THR 36 HG1 THR 36 5.178 11.157 3.743
234 HG21 THR 36 3HG2 THR 36 5.156 10.568 0.472
235 HG22 THR 36 1HG2 THR 36 4.191 10.767 1.934
236 HG23 THR 36 2HG2 THR 36 4.728 9.160 1.443
237 H GLY 37 H GLY 37 8.999 7.520 2.814
238 HA2 GLY 37 1HA GLY 37 10.457 8.991 4.677
239 HA3 GLY 37 2HA GLY 37 11.087 7.632 3.759
240 H GLN 38 H GLN 38 12.952 9.332 4.270
241 HA GLN 38 HA GLN 38 13.315 10.831 1.770
242 HB2 GLN 38 1HB GLN 38 14.038 11.809 4.537
243 HB3 GLN 38 2HB GLN 38 14.469 12.617 3.036
244 HG2 GLN 38 1HG GLN 38 12.059 12.864 2.530
245 HG3 GLN 38 2HG GLN 38 11.694 12.169 4.109
246 HE21 GLN 38 1HE2 GLN 38 11.791 14.965 2.538
247 HE22 GLN 38 2HE2 GLN 38 12.207 16.046 3.819
248 H ARG 39 H ARG 39 14.781 9.551 0.793
249 HA ARG 39 HA ARG 39 16.669 8.316 0.430
250 HB2 ARG 39 1HB ARG 39 17.624 10.665 2.042
251 HB3 ARG 39 2HB ARG 39 18.754 9.437 1.487
252 HG2 ARG 39 1HG ARG 39 17.824 9.866 -0.844
253 HG3 ARG 39 2HG ARG 39 17.079 11.308 -0.151
254 HD2 ARG 39 1HD ARG 39 19.150 11.986 -1.092
255 HD3 ARG 39 2HD ARG 39 19.363 11.973 0.658
256 HE ARG 39 HE ARG 39 20.861 10.236 0.442
257 HH11 ARG 39 1HH1 ARG 39 19.239 10.791 -2.587
258 HH12 ARG 39 2HH1 ARG 39 20.301 9.765 -3.493
259 HH21 ARG 39 1HH2 ARG 39 22.266 8.882 -0.739
260 HH22 ARG 39 2HH2 ARG 39 22.021 8.678 -2.441
261 HA PRO 40 HA PRO 40 16.387 6.382 4.735
262 HB2 PRO 40 1HB PRO 40 14.936 4.203 4.014
263 HB3 PRO 40 2HB PRO 40 14.195 5.720 4.539
264 HG2 PRO 40 1HG PRO 40 14.620 4.681 1.764
265 HG3 PRO 40 2HG PRO 40 13.196 5.482 2.454
266 HD2 PRO 40 1HD PRO 40 14.992 6.785 0.902
267 HD3 PRO 40 2HD PRO 40 14.108 7.585 2.218
268 H SER 41 H SER 41 17.733 5.867 1.763
269 HA SER 41 HA SER 41 19.495 4.617 1.042
270 HB2 SER 41 1HB SER 41 21.037 3.873 2.588
271 HB3 SER 41 2HB SER 41 20.109 4.984 3.594
272 HG SER 41 HG SER 41 20.541 2.719 4.371
273 H GLY 42 H GLY 42 16.855 3.661 0.722
274 HA2 GLY 42 1HA GLY 42 15.695 1.767 0.138
275 HA3 GLY 42 2HA GLY 42 17.277 1.085 -0.210
276 HA PRO 43 HA PRO 43 16.015 -0.091 4.342
277 HB2 PRO 43 1HB PRO 43 13.339 -0.050 4.801
278 HB3 PRO 43 2HB PRO 43 14.391 1.334 5.123
279 HG2 PRO 43 1HG PRO 43 12.616 0.811 2.770
280 HG3 PRO 43 2HG PRO 43 12.860 2.317 3.675
281 HD2 PRO 43 1HD PRO 43 14.062 1.835 1.297
282 HD3 PRO 43 2HD PRO 43 14.822 2.809 2.572
283 H SER 44 H SER 44 16.669 -2.053 3.291
284 HA SER 44 HA SER 44 14.965 -3.727 1.823
285 HB2 SER 44 1HB SER 44 17.524 -3.861 2.113
286 HB3 SER 44 2HB SER 44 17.177 -4.766 3.586
287 HG SER 44 HG SER 44 16.250 -6.359 2.398
288 H SER 45 H SER 45 12.966 -3.631 2.988
289 HA SER 45 HA SER 45 12.876 -4.988 5.570
290 HB2 SER 45 1HB SER 45 11.582 -2.917 5.314
291 HB3 SER 45 2HB SER 45 10.677 -3.638 3.983
292 HG SER 45 HG SER 45 10.334 -5.351 5.811
293 H GLY 46 H GLY 46 12.112 -7.002 5.880
294 HA2 GLY 46 1HA GLY 46 10.334 -8.324 4.098
295 HA3 GLY 46 2HA GLY 46 11.986 -8.860 3.829
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -4.563 -18.019 -11.614
2 HA2 GLY 1 1HA GLY 1 -2.794 -20.065 -12.417
3 HA3 GLY 1 2HA GLY 1 -2.949 -20.095 -10.667
4 H SER 2 H SER 2 -5.559 -19.523 -10.239
5 HA SER 2 HA SER 2 -7.630 -20.458 -10.157
6 HB2 SER 2 1HB SER 2 -6.920 -20.932 -13.043
7 HB3 SER 2 2HB SER 2 -8.445 -21.511 -12.374
8 HG SER 2 HG SER 2 -8.236 -19.255 -13.365
9 H SER 3 H SER 3 -5.520 -21.957 -9.126
10 HA SER 3 HA SER 3 -6.681 -24.604 -9.230
11 HB2 SER 3 1HB SER 3 -5.203 -25.139 -10.921
12 HB3 SER 3 2HB SER 3 -3.993 -23.978 -10.376
13 HG SER 3 HG SER 3 -3.887 -26.496 -9.973
14 H GLY 4 H GLY 4 -6.084 -25.924 -7.462
15 HA2 GLY 4 1HA GLY 4 -5.465 -24.465 -5.090
16 HA3 GLY 4 2HA GLY 4 -5.704 -26.202 -5.207
17 H SER 5 H SER 5 -3.574 -24.080 -4.153
18 HA SER 5 HA SER 5 -1.339 -24.075 -3.727
19 HB2 SER 5 1HB SER 5 -1.949 -26.974 -4.146
20 HB3 SER 5 2HB SER 5 -0.265 -26.475 -3.988
21 HG SER 5 HG SER 5 -1.251 -25.267 -2.042
22 H SER 6 H SER 6 -1.948 -23.109 -6.191
23 HA SER 6 HA SER 6 0.091 -24.267 -7.973
24 HB2 SER 6 1HB SER 6 -2.403 -24.016 -8.693
25 HB3 SER 6 2HB SER 6 -1.997 -22.311 -8.891
26 HG SER 6 HG SER 6 -1.401 -24.414 -10.486
27 H GLY 7 H GLY 7 1.759 -23.145 -6.781
28 HA2 GLY 7 1HA GLY 7 3.028 -21.287 -6.181
29 HA3 GLY 7 2HA GLY 7 2.918 -21.025 -7.915
30 H THR 8 H THR 8 1.195 -20.379 -4.878
31 HA THR 8 HA THR 8 -0.327 -18.229 -6.027
32 HB THR 8 HB THR 8 -1.093 -17.809 -3.714
33 HG1 THR 8 HG1 THR 8 -0.307 -19.668 -2.248
34 HG21 THR 8 3HG2 THR 8 -1.189 -20.775 -4.108
35 HG22 THR 8 1HG2 THR 8 -1.961 -19.704 -5.277
36 HG23 THR 8 2HG2 THR 8 -2.465 -19.675 -3.587
37 H GLY 9 H GLY 9 2.327 -18.431 -3.654
38 HA2 GLY 9 1HA GLY 9 3.956 -16.912 -3.093
39 HA3 GLY 9 2HA GLY 9 3.615 -16.108 -4.617
40 H GLU 10 H GLU 10 2.405 -14.267 -4.640
41 HA GLU 10 HA GLU 10 1.097 -13.426 -2.161
42 HB2 GLU 10 1HB GLU 10 2.140 -11.209 -2.266
43 HB3 GLU 10 2HB GLU 10 3.343 -12.473 -2.048
44 HG2 GLU 10 1HG GLU 10 4.384 -11.256 -3.647
45 HG3 GLU 10 2HG GLU 10 3.447 -12.331 -4.684
46 H LYS 11 H LYS 11 -0.374 -11.615 -2.459
47 HA LYS 11 HA LYS 11 -1.804 -11.842 -4.945
48 HB2 LYS 11 1HB LYS 11 -3.510 -10.556 -3.909
49 HB3 LYS 11 2HB LYS 11 -2.872 -11.622 -2.663
50 HG2 LYS 11 1HG LYS 11 -1.659 -9.847 -1.651
51 HG3 LYS 11 2HG LYS 11 -1.993 -8.766 -3.006
52 HD2 LYS 11 1HD LYS 11 -3.489 -8.112 -1.311
53 HD3 LYS 11 2HD LYS 11 -4.456 -9.072 -2.433
54 HE2 LYS 11 1HE LYS 11 -3.774 -11.041 -0.840
55 HE3 LYS 11 2HE LYS 11 -3.507 -9.737 0.317
56 HZ1 LYS 11 3HZ LYS 11 -5.887 -9.045 -0.545
57 HZ2 LYS 11 1HZ LYS 11 -5.685 -10.154 0.716
58 HZ3 LYS 11 2HZ LYS 11 -6.003 -10.704 -0.851
59 HA PRO 12 HA PRO 12 -0.017 -8.418 -7.056
60 HB2 PRO 12 1HB PRO 12 -2.065 -7.827 -8.738
61 HB3 PRO 12 2HB PRO 12 -1.030 -9.245 -8.945
62 HG2 PRO 12 1HG PRO 12 -3.758 -9.053 -7.726
63 HG3 PRO 12 2HG PRO 12 -3.112 -10.275 -8.837
64 HD2 PRO 12 1HD PRO 12 -3.310 -10.691 -6.169
65 HD3 PRO 12 2HD PRO 12 -2.020 -11.409 -7.154
66 H TYR 13 H TYR 13 -2.474 -8.152 -4.842
67 HA TYR 13 HA TYR 13 -2.692 -5.238 -5.214
68 HB2 TYR 13 1HB TYR 13 -4.575 -6.716 -3.434
69 HB3 TYR 13 2HB TYR 13 -4.850 -5.278 -4.410
70 HD1 TYR 13 HD1 TYR 13 -4.695 -8.949 -4.441
71 HD2 TYR 13 HD2 TYR 13 -5.537 -5.452 -6.713
72 HE1 TYR 13 HE1 TYR 13 -5.760 -10.337 -6.170
73 HE2 TYR 13 HE2 TYR 13 -6.606 -6.830 -8.448
74 HH TYR 13 HH TYR 13 -7.768 -9.194 -8.465
75 H LYS 14 H LYS 14 -0.403 -6.128 -4.045
76 HA LYS 14 HA LYS 14 -0.790 -5.333 -1.238
77 HB2 LYS 14 1HB LYS 14 -0.196 -7.845 -1.777
78 HB3 LYS 14 2HB LYS 14 1.427 -7.199 -1.973
79 HG2 LYS 14 1HG LYS 14 1.450 -6.399 0.284
80 HG3 LYS 14 2HG LYS 14 -0.251 -6.822 0.497
81 HD2 LYS 14 1HD LYS 14 0.721 -8.645 1.474
82 HD3 LYS 14 2HD LYS 14 0.633 -9.220 -0.192
83 HE2 LYS 14 1HE LYS 14 3.051 -7.710 0.660
84 HE3 LYS 14 2HE LYS 14 2.865 -9.373 1.215
85 HZ1 LYS 14 3HZ LYS 14 2.501 -8.754 -1.636
86 HZ2 LYS 14 1HZ LYS 14 3.009 -10.194 -0.908
87 HZ3 LYS 14 2HZ LYS 14 4.068 -8.879 -1.010
88 H CYS 15 H CYS 15 0.849 -4.074 -0.320
89 HA CYS 15 HA CYS 15 2.046 -2.167 -1.912
90 HB2 CYS 15 1HB CYS 15 1.825 -1.701 0.402
91 HB3 CYS 15 2HB CYS 15 2.725 -3.144 0.857
92 H MET 16 H MET 16 3.958 -1.939 -2.957
93 HA MET 16 HA MET 16 5.590 -4.351 -3.230
94 HB2 MET 16 1HB MET 16 6.542 -3.209 -5.211
95 HB3 MET 16 2HB MET 16 4.796 -3.398 -5.307
96 HG2 MET 16 1HG MET 16 4.434 -1.108 -4.814
97 HG3 MET 16 2HG MET 16 6.125 -0.871 -4.377
98 HE1 MET 16 3HE MET 16 4.272 0.688 -7.538
99 HE2 MET 16 1HE MET 16 3.920 -0.922 -8.168
100 HE3 MET 16 2HE MET 16 3.492 -0.512 -6.507
101 H GLU 17 H GLU 17 5.750 -1.028 -2.157
102 HA GLU 17 HA GLU 17 8.445 -0.532 -2.073
103 HB2 GLU 17 1HB GLU 17 6.501 0.960 -1.324
104 HB3 GLU 17 2HB GLU 17 6.634 0.155 0.233
105 HG2 GLU 17 1HG GLU 17 8.676 1.877 -1.137
106 HG3 GLU 17 2HG GLU 17 7.848 2.173 0.391
107 H CYS 18 H CYS 18 6.599 -1.873 0.673
108 HA CYS 18 HA CYS 18 9.061 -3.258 1.516
109 HB2 CYS 18 1HB CYS 18 8.332 -3.038 3.816
110 HB3 CYS 18 2HB CYS 18 8.345 -1.448 3.060
111 H GLY 19 H GLY 19 5.511 -3.433 1.520
112 HA2 GLY 19 1HA GLY 19 4.496 -5.483 0.651
113 HA3 GLY 19 2HA GLY 19 5.772 -6.375 1.466
114 H LYS 20 H LYS 20 2.640 -5.064 1.716
115 HA LYS 20 HA LYS 20 2.231 -6.350 4.252
116 HB2 LYS 20 1HB LYS 20 3.175 -3.906 4.604
117 HB3 LYS 20 2HB LYS 20 1.510 -3.451 4.268
118 HG2 LYS 20 1HG LYS 20 0.706 -4.459 6.180
119 HG3 LYS 20 2HG LYS 20 2.091 -5.545 6.315
120 HD2 LYS 20 1HD LYS 20 3.438 -3.925 7.257
121 HD3 LYS 20 2HD LYS 20 2.508 -2.597 6.557
122 HE2 LYS 20 1HE LYS 20 0.606 -3.438 8.095
123 HE3 LYS 20 2HE LYS 20 1.891 -4.283 8.957
124 HZ1 LYS 20 3HZ LYS 20 2.582 -1.567 8.453
125 HZ2 LYS 20 1HZ LYS 20 2.524 -2.405 9.922
126 HZ3 LYS 20 2HZ LYS 20 1.127 -1.674 9.310
127 H ALA 21 H ALA 21 0.090 -6.818 4.634
128 HA ALA 21 HA ALA 21 -1.767 -6.061 2.479
129 HB1 ALA 21 3HB ALA 21 -2.108 -8.252 2.322
130 HB2 ALA 21 1HB ALA 21 -1.191 -8.565 3.797
131 HB3 ALA 21 2HB ALA 21 -2.908 -8.169 3.892
132 H PHE 22 H PHE 22 -3.682 -5.098 2.928
133 HA PHE 22 HA PHE 22 -4.302 -4.594 5.764
134 HB2 PHE 22 1HB PHE 22 -4.622 -2.717 3.414
135 HB3 PHE 22 2HB PHE 22 -5.230 -2.397 5.035
136 HD1 PHE 22 HD1 PHE 22 -2.123 -3.045 3.118
137 HD2 PHE 22 HD2 PHE 22 -3.860 -1.423 6.649
138 HE1 PHE 22 HE1 PHE 22 0.048 -2.064 3.730
139 HE2 PHE 22 HE2 PHE 22 -1.692 -0.438 7.267
140 HZ PHE 22 HZ PHE 22 0.266 -0.757 5.807
141 H GLY 23 H GLY 23 -6.637 -3.955 6.097
142 HA2 GLY 23 1HA GLY 23 -8.297 -5.927 4.758
143 HA3 GLY 23 2HA GLY 23 -8.745 -4.959 6.155
144 H ASP 24 H ASP 24 -8.922 -2.529 5.630
145 HA ASP 24 HA ASP 24 -10.620 -2.309 3.254
146 HB2 ASP 24 1HB ASP 24 -11.476 -1.658 5.544
147 HB3 ASP 24 2HB ASP 24 -10.340 -0.312 5.502
148 H ASN 25 H ASN 25 -10.359 -0.686 1.721
149 HA ASN 25 HA ASN 25 -7.792 -0.040 0.936
150 HB2 ASN 25 1HB ASN 25 -8.989 1.848 -0.383
151 HB3 ASN 25 2HB ASN 25 -9.416 0.175 -0.729
152 HD21 ASN 25 1HD2 ASN 25 -10.442 3.162 0.702
153 HD22 ASN 25 2HD2 ASN 25 -12.109 2.743 0.876
154 H SER 26 H SER 26 -10.121 2.046 2.640
155 HA SER 26 HA SER 26 -8.833 4.392 2.859
156 HB2 SER 26 1HB SER 26 -10.221 2.901 5.096
157 HB3 SER 26 2HB SER 26 -9.781 4.607 5.172
158 HG SER 26 HG SER 26 -11.903 4.435 4.475
159 H SER 27 H SER 27 -8.293 1.752 5.200
160 HA SER 27 HA SER 27 -6.227 2.862 6.631
161 HB2 SER 27 1HB SER 27 -7.269 0.757 7.281
162 HB3 SER 27 2HB SER 27 -6.593 -0.045 5.864
163 HG SER 27 HG SER 27 -5.408 0.598 8.262
164 H CYS 28 H CYS 28 -5.825 0.623 3.881
165 HA CYS 28 HA CYS 28 -3.171 0.534 3.548
166 HB2 CYS 28 1HB CYS 28 -5.160 -0.233 1.984
167 HB3 CYS 28 2HB CYS 28 -4.735 1.226 1.097
168 HG CYS 28 HG CYS 28 -2.238 -0.930 1.857
169 H THR 29 H THR 29 -5.181 3.221 2.363
170 HA THR 29 HA THR 29 -3.393 4.820 1.126
171 HB THR 29 HB THR 29 -5.440 5.774 3.139
172 HG1 THR 29 HG1 THR 29 -5.946 4.437 1.073
173 HG21 THR 29 3HG2 THR 29 -5.366 7.768 1.419
174 HG22 THR 29 1HG2 THR 29 -3.726 7.184 1.146
175 HG23 THR 29 2HG2 THR 29 -4.224 7.689 2.760
176 H GLN 30 H GLN 30 -4.032 5.113 4.628
177 HA GLN 30 HA GLN 30 -2.121 6.887 5.354
178 HB2 GLN 30 1HB GLN 30 -2.995 4.387 6.798
179 HB3 GLN 30 2HB GLN 30 -1.955 5.600 7.532
180 HG2 GLN 30 1HG GLN 30 -4.749 6.051 6.507
181 HG3 GLN 30 2HG GLN 30 -4.271 5.898 8.197
182 HE21 GLN 30 1HE2 GLN 30 -5.010 8.040 5.823
183 HE22 GLN 30 2HE2 GLN 30 -4.226 9.447 6.446
184 H HIS 31 H HIS 31 -1.599 3.375 5.078
185 HA HIS 31 HA HIS 31 1.082 3.287 5.754
186 HB2 HIS 31 1HB HIS 31 -0.231 1.265 5.446
187 HB3 HIS 31 2HB HIS 31 -0.411 1.608 3.728
188 HD1 HIS 31 HD1 HIS 31 2.504 1.109 6.136
189 HD2 HIS 31 HD2 HIS 31 1.347 0.197 2.251
190 HE1 HIS 31 HE1 HIS 31 4.379 -0.269 5.182
191 H GLN 32 H GLN 32 -0.347 3.748 2.529
192 HA GLN 32 HA GLN 32 1.967 3.874 1.027
193 HB2 GLN 32 1HB GLN 32 -0.696 5.237 0.733
194 HB3 GLN 32 2HB GLN 32 0.593 5.506 -0.432
195 HG2 GLN 32 1HG GLN 32 -0.551 2.813 0.272
196 HG3 GLN 32 2HG GLN 32 -1.016 3.776 -1.129
197 HE21 GLN 32 1HE2 GLN 32 0.034 1.167 -1.242
198 HE22 GLN 32 2HE2 GLN 32 1.557 1.237 -2.054
199 H ARG 33 H ARG 33 0.624 6.231 3.205
200 HA ARG 33 HA ARG 33 2.283 8.395 2.279
201 HB2 ARG 33 1HB ARG 33 0.447 8.040 4.640
202 HB3 ARG 33 2HB ARG 33 1.442 9.477 4.445
203 HG2 ARG 33 1HG ARG 33 -0.346 8.601 2.222
204 HG3 ARG 33 2HG ARG 33 -1.014 9.469 3.606
205 HD2 ARG 33 1HD ARG 33 0.299 11.372 3.181
206 HD3 ARG 33 2HD ARG 33 1.369 10.490 2.092
207 HE ARG 33 HE ARG 33 -1.335 10.560 1.162
208 HH11 ARG 33 1HH1 ARG 33 1.647 12.350 1.319
209 HH12 ARG 33 2HH1 ARG 33 1.307 13.294 -0.093
210 HH21 ARG 33 1HH2 ARG 33 -1.794 11.797 -0.699
211 HH22 ARG 33 2HH2 ARG 33 -0.651 12.980 -1.239
212 H LEU 34 H LEU 34 2.136 6.509 5.304
213 HA LEU 34 HA LEU 34 4.276 7.466 6.657
214 HB2 LEU 34 1HB LEU 34 3.634 4.539 6.333
215 HB3 LEU 34 2HB LEU 34 4.559 5.262 7.648
216 HG LEU 34 HG LEU 34 1.696 6.016 7.141
217 HD11 LEU 34 1HD1 LEU 34 2.252 4.060 9.263
218 HD12 LEU 34 2HD1 LEU 34 2.370 3.443 7.615
219 HD13 LEU 34 3HD1 LEU 34 0.874 4.195 8.169
220 HD21 LEU 34 3HD2 LEU 34 3.669 6.950 8.873
221 HD22 LEU 34 1HD2 LEU 34 2.628 5.933 9.870
222 HD23 LEU 34 2HD2 LEU 34 1.937 7.275 8.957
223 H HIS 35 H HIS 35 4.353 5.628 3.717
224 HA HIS 35 HA HIS 35 7.093 4.859 3.844
225 HB2 HIS 35 1HB HIS 35 4.959 4.853 1.772
226 HB3 HIS 35 2HB HIS 35 6.627 4.778 1.212
227 HD1 HIS 35 HD1 HIS 35 7.510 2.997 3.773
228 HD2 HIS 35 HD2 HIS 35 4.481 2.194 1.045
229 HE1 HIS 35 HE1 HIS 35 7.163 0.508 3.867
230 H THR 36 H THR 36 5.359 7.579 2.399
231 HA THR 36 HA THR 36 7.699 8.714 1.197
232 HB THR 36 HB THR 36 5.398 9.119 0.330
233 HG1 THR 36 HG1 THR 36 5.803 11.581 0.339
234 HG21 THR 36 3HG2 THR 36 3.916 9.520 2.007
235 HG22 THR 36 1HG2 THR 36 4.357 11.193 1.669
236 HG23 THR 36 2HG2 THR 36 5.110 10.337 3.015
237 H GLY 37 H GLY 37 8.581 10.830 1.754
238 HA2 GLY 37 1HA GLY 37 9.133 11.002 4.569
239 HA3 GLY 37 2HA GLY 37 9.779 12.047 3.312
240 H GLN 38 H GLN 38 8.528 12.535 6.029
241 HA GLN 38 HA GLN 38 6.347 14.317 5.182
242 HB2 GLN 38 1HB GLN 38 5.887 12.559 6.940
243 HB3 GLN 38 2HB GLN 38 6.979 13.440 7.999
244 HG2 GLN 38 1HG GLN 38 5.527 15.435 7.746
245 HG3 GLN 38 2HG GLN 38 4.399 14.444 6.822
246 HE21 GLN 38 1HE2 GLN 38 4.079 12.208 8.082
247 HE22 GLN 38 2HE2 GLN 38 3.572 12.421 9.720
248 H ARG 39 H ARG 39 9.308 14.159 7.105
249 HA ARG 39 HA ARG 39 9.847 16.937 6.577
250 HB2 ARG 39 1HB ARG 39 8.438 17.292 8.471
251 HB3 ARG 39 2HB ARG 39 9.208 15.990 9.368
252 HG2 ARG 39 1HG ARG 39 11.350 17.477 9.066
253 HG3 ARG 39 2HG ARG 39 10.157 18.760 8.851
254 HD2 ARG 39 1HD ARG 39 10.568 18.804 11.136
255 HD3 ARG 39 2HD ARG 39 9.102 17.832 11.014
256 HE ARG 39 HE ARG 39 11.275 16.093 10.931
257 HH11 ARG 39 1HH1 ARG 39 9.791 18.322 13.155
258 HH12 ARG 39 2HH1 ARG 39 10.295 17.453 14.567
259 HH21 ARG 39 1HH2 ARG 39 11.944 14.939 12.781
260 HH22 ARG 39 2HH2 ARG 39 11.520 15.529 14.353
261 HA PRO 40 HA PRO 40 13.949 15.347 6.744
262 HB2 PRO 40 1HB PRO 40 15.305 17.688 6.975
263 HB3 PRO 40 2HB PRO 40 14.543 17.164 5.469
264 HG2 PRO 40 1HG PRO 40 13.544 19.098 7.524
265 HG3 PRO 40 2HG PRO 40 13.500 19.223 5.755
266 HD2 PRO 40 1HD PRO 40 11.346 18.478 7.217
267 HD3 PRO 40 2HD PRO 40 11.649 17.861 5.580
268 H SER 41 H SER 41 15.545 14.832 8.212
269 HA SER 41 HA SER 41 14.907 15.022 10.958
270 HB2 SER 41 1HB SER 41 17.433 14.161 9.537
271 HB3 SER 41 2HB SER 41 17.216 14.047 11.283
272 HG SER 41 HG SER 41 15.986 12.600 9.230
273 H GLY 42 H GLY 42 15.062 16.784 12.170
274 HA2 GLY 42 1HA GLY 42 17.406 18.149 12.718
275 HA3 GLY 42 2HA GLY 42 16.616 19.052 11.434
276 HA PRO 43 HA PRO 43 13.742 19.166 15.353
277 HB2 PRO 43 1HB PRO 43 14.979 18.579 17.697
278 HB3 PRO 43 2HB PRO 43 14.152 17.363 16.717
279 HG2 PRO 43 1HG PRO 43 17.074 17.991 16.888
280 HG3 PRO 43 2HG PRO 43 16.270 16.411 16.842
281 HD2 PRO 43 1HD PRO 43 17.431 17.520 14.661
282 HD3 PRO 43 2HD PRO 43 15.999 16.476 14.554
283 H SER 44 H SER 44 13.402 21.128 16.243
284 HA SER 44 HA SER 44 15.401 23.127 16.074
285 HB2 SER 44 1HB SER 44 12.607 23.050 17.182
286 HB3 SER 44 2HB SER 44 13.622 24.474 17.408
287 HG SER 44 HG SER 44 12.885 24.979 15.500
288 H SER 45 H SER 45 17.130 22.415 17.364
289 HA SER 45 HA SER 45 16.737 21.984 20.194
290 HB2 SER 45 1HB SER 45 19.059 21.446 20.281
291 HB3 SER 45 2HB SER 45 18.453 20.766 18.771
292 HG SER 45 HG SER 45 19.193 22.941 17.903
293 H GLY 46 H GLY 46 17.862 23.217 21.842
294 HA2 GLY 46 1HA GLY 46 19.277 25.373 22.005
295 HA3 GLY 46 2HA GLY 46 17.911 26.077 21.154
Start of MODEL 15
1 H1 GLY 1 H GLY 1 16.285 -27.769 -0.517
2 HA2 GLY 1 1HA GLY 1 18.041 -25.824 -1.702
3 HA3 GLY 1 2HA GLY 1 17.303 -26.889 -2.890
4 H SER 2 H SER 2 15.108 -26.731 -3.324
5 HA SER 2 HA SER 2 13.668 -24.547 -1.981
6 HB2 SER 2 1HB SER 2 14.696 -24.076 -4.372
7 HB3 SER 2 2HB SER 2 13.273 -24.963 -4.916
8 HG SER 2 HG SER 2 13.439 -22.508 -3.569
9 H SER 3 H SER 3 12.328 -25.879 -0.829
10 HA SER 3 HA SER 3 10.181 -27.117 -2.311
11 HB2 SER 3 1HB SER 3 12.182 -28.724 -0.757
12 HB3 SER 3 2HB SER 3 10.503 -29.258 -0.838
13 HG SER 3 HG SER 3 11.749 -28.536 -3.226
14 H GLY 4 H GLY 4 8.312 -26.828 -1.266
15 HA2 GLY 4 1HA GLY 4 7.215 -27.165 0.986
16 HA3 GLY 4 2HA GLY 4 8.457 -26.077 1.587
17 H SER 5 H SER 5 6.802 -24.680 2.358
18 HA SER 5 HA SER 5 5.910 -22.804 0.326
19 HB2 SER 5 1HB SER 5 3.579 -22.811 1.104
20 HB3 SER 5 2HB SER 5 4.038 -24.395 0.480
21 HG SER 5 HG SER 5 3.222 -23.693 2.969
22 H SER 6 H SER 6 6.594 -20.909 1.044
23 HA SER 6 HA SER 6 6.334 -20.315 3.919
24 HB2 SER 6 1HB SER 6 8.602 -19.677 2.035
25 HB3 SER 6 2HB SER 6 8.370 -18.803 3.549
26 HG SER 6 HG SER 6 8.687 -20.684 4.676
27 H GLY 7 H GLY 7 6.389 -17.894 4.341
28 HA2 GLY 7 1HA GLY 7 4.216 -16.625 3.296
29 HA3 GLY 7 2HA GLY 7 5.597 -15.762 3.956
30 H THR 8 H THR 8 3.777 -16.421 1.183
31 HA THR 8 HA THR 8 5.521 -14.715 -0.401
32 HB THR 8 HB THR 8 6.317 -16.992 -0.915
33 HG1 THR 8 HG1 THR 8 5.100 -15.333 -2.802
34 HG21 THR 8 3HG2 THR 8 4.928 -18.636 -1.930
35 HG22 THR 8 1HG2 THR 8 3.584 -17.506 -2.077
36 HG23 THR 8 2HG2 THR 8 4.080 -18.083 -0.486
37 H GLY 9 H GLY 9 4.291 -13.223 -1.334
38 HA2 GLY 9 1HA GLY 9 1.891 -13.875 -2.745
39 HA3 GLY 9 2HA GLY 9 1.547 -13.070 -1.222
40 H GLU 10 H GLU 10 1.408 -12.355 -4.225
41 HA GLU 10 HA GLU 10 2.651 -9.703 -3.913
42 HB2 GLU 10 1HB GLU 10 3.166 -9.667 -6.287
43 HB3 GLU 10 2HB GLU 10 3.919 -11.064 -5.530
44 HG2 GLU 10 1HG GLU 10 1.344 -11.128 -7.086
45 HG3 GLU 10 2HG GLU 10 2.928 -11.562 -7.727
46 H LYS 11 H LYS 11 0.053 -10.220 -3.130
47 HA LYS 11 HA LYS 11 -1.991 -9.934 -4.942
48 HB2 LYS 11 1HB LYS 11 -1.649 -8.900 -2.140
49 HB3 LYS 11 2HB LYS 11 -3.121 -8.581 -3.047
50 HG2 LYS 11 1HG LYS 11 -3.742 -10.812 -3.078
51 HG3 LYS 11 2HG LYS 11 -2.100 -11.375 -2.757
52 HD2 LYS 11 1HD LYS 11 -2.356 -10.173 -0.496
53 HD3 LYS 11 2HD LYS 11 -4.084 -10.165 -0.858
54 HE2 LYS 11 1HE LYS 11 -3.774 -12.107 0.403
55 HE3 LYS 11 2HE LYS 11 -3.815 -12.680 -1.264
56 HZ1 LYS 11 3HZ LYS 11 -1.475 -12.385 0.517
57 HZ2 LYS 11 1HZ LYS 11 -1.296 -12.491 -1.162
58 HZ3 LYS 11 2HZ LYS 11 -2.007 -13.764 -0.305
59 HA PRO 12 HA PRO 12 -1.470 -6.000 -6.847
60 HB2 PRO 12 1HB PRO 12 -4.038 -5.538 -7.597
61 HB3 PRO 12 2HB PRO 12 -2.999 -6.718 -8.404
62 HG2 PRO 12 1HG PRO 12 -5.106 -7.159 -6.324
63 HG3 PRO 12 2HG PRO 12 -4.775 -8.090 -7.797
64 HD2 PRO 12 1HD PRO 12 -3.951 -8.897 -5.347
65 HD3 PRO 12 2HD PRO 12 -3.033 -9.245 -6.826
66 H TYR 13 H TYR 13 -4.288 -6.296 -4.686
67 HA TYR 13 HA TYR 13 -4.268 -3.463 -4.113
68 HB2 TYR 13 1HB TYR 13 -6.058 -4.279 -2.384
69 HB3 TYR 13 2HB TYR 13 -6.440 -4.267 -4.102
70 HD1 TYR 13 HD1 TYR 13 -5.613 -6.401 -1.221
71 HD2 TYR 13 HD2 TYR 13 -6.785 -6.316 -5.311
72 HE1 TYR 13 HE1 TYR 13 -6.165 -8.795 -1.107
73 HE2 TYR 13 HE2 TYR 13 -7.341 -8.709 -5.207
74 HH TYR 13 HH TYR 13 -8.045 -10.349 -3.186
75 H LYS 14 H LYS 14 -1.831 -4.560 -3.449
76 HA LYS 14 HA LYS 14 -1.832 -4.186 -0.542
77 HB2 LYS 14 1HB LYS 14 -1.629 -6.676 -1.429
78 HB3 LYS 14 2HB LYS 14 0.045 -6.203 -1.692
79 HG2 LYS 14 1HG LYS 14 0.190 -5.546 0.688
80 HG3 LYS 14 2HG LYS 14 -1.452 -6.151 0.921
81 HD2 LYS 14 1HD LYS 14 -0.189 -7.968 1.576
82 HD3 LYS 14 2HD LYS 14 -0.490 -8.341 -0.123
83 HE2 LYS 14 1HE LYS 14 1.742 -7.072 -0.522
84 HE3 LYS 14 2HE LYS 14 2.018 -7.373 1.193
85 HZ1 LYS 14 3HZ LYS 14 1.162 -9.677 -0.337
86 HZ2 LYS 14 1HZ LYS 14 2.372 -9.544 0.839
87 HZ3 LYS 14 2HZ LYS 14 2.687 -9.075 -0.755
88 H CYS 15 H CYS 15 0.056 -3.265 0.303
89 HA CYS 15 HA CYS 15 1.332 -1.351 -1.229
90 HB2 CYS 15 1HB CYS 15 1.267 -1.386 1.255
91 HB3 CYS 15 2HB CYS 15 2.448 -2.691 1.243
92 H MET 16 H MET 16 2.591 -1.633 -2.942
93 HA MET 16 HA MET 16 4.251 -4.025 -3.151
94 HB2 MET 16 1HB MET 16 3.624 -1.860 -5.166
95 HB3 MET 16 2HB MET 16 4.611 -3.279 -5.491
96 HG2 MET 16 1HG MET 16 2.779 -4.733 -5.288
97 HG3 MET 16 2HG MET 16 1.778 -3.493 -4.535
98 HE1 MET 16 3HE MET 16 0.237 -4.726 -6.069
99 HE2 MET 16 1HE MET 16 -0.317 -3.878 -7.514
100 HE3 MET 16 2HE MET 16 0.826 -5.214 -7.660
101 H GLU 17 H GLU 17 4.680 -1.308 -1.601
102 HA GLU 17 HA GLU 17 7.291 -0.580 -2.679
103 HB2 GLU 17 1HB GLU 17 5.682 0.596 -0.406
104 HB3 GLU 17 2HB GLU 17 7.231 1.213 -0.963
105 HG2 GLU 17 1HG GLU 17 5.438 2.545 -1.862
106 HG3 GLU 17 2HG GLU 17 6.248 1.671 -3.161
107 H CYS 18 H CYS 18 5.836 -2.087 0.141
108 HA CYS 18 HA CYS 18 8.522 -2.935 0.990
109 HB2 CYS 18 1HB CYS 18 7.892 -2.665 3.330
110 HB3 CYS 18 2HB CYS 18 7.731 -1.132 2.479
111 H GLY 19 H GLY 19 5.030 -3.537 1.218
112 HA2 GLY 19 1HA GLY 19 4.194 -5.731 0.596
113 HA3 GLY 19 2HA GLY 19 5.646 -6.422 1.306
114 H LYS 20 H LYS 20 2.856 -4.407 2.227
115 HA LYS 20 HA LYS 20 2.921 -5.647 4.887
116 HB2 LYS 20 1HB LYS 20 1.762 -3.092 3.822
117 HB3 LYS 20 2HB LYS 20 1.155 -3.781 5.322
118 HG2 LYS 20 1HG LYS 20 4.068 -3.211 4.863
119 HG3 LYS 20 2HG LYS 20 2.951 -2.021 5.534
120 HD2 LYS 20 1HD LYS 20 3.086 -4.745 6.748
121 HD3 LYS 20 2HD LYS 20 4.356 -3.574 7.113
122 HE2 LYS 20 1HE LYS 20 2.884 -3.103 8.798
123 HE3 LYS 20 2HE LYS 20 2.297 -1.993 7.560
124 HZ1 LYS 20 3HZ LYS 20 1.159 -4.687 7.633
125 HZ2 LYS 20 1HZ LYS 20 0.432 -3.219 7.209
126 HZ3 LYS 20 2HZ LYS 20 0.683 -3.600 8.838
127 H ALA 21 H ALA 21 0.428 -5.502 5.777
128 HA ALA 21 HA ALA 21 -1.339 -6.742 3.801
129 HB1 ALA 21 3HB ALA 21 -1.182 -8.055 6.464
130 HB2 ALA 21 1HB ALA 21 -1.624 -8.728 4.895
131 HB3 ALA 21 2HB ALA 21 0.069 -8.413 5.274
132 H PHE 22 H PHE 22 -3.218 -5.719 3.870
133 HA PHE 22 HA PHE 22 -4.294 -4.890 6.472
134 HB2 PHE 22 1HB PHE 22 -4.461 -3.144 4.015
135 HB3 PHE 22 2HB PHE 22 -4.926 -2.731 5.662
136 HD1 PHE 22 HD2 PHE 22 -3.205 -2.313 7.367
137 HD2 PHE 22 HD1 PHE 22 -2.202 -2.992 3.287
138 HE1 PHE 22 HE2 PHE 22 -0.964 -1.378 7.766
139 HE2 PHE 22 HE1 PHE 22 0.041 -2.059 3.680
140 HZ PHE 22 HZ PHE 22 0.662 -1.250 5.921
141 H GLY 23 H GLY 23 -6.653 -4.357 6.341
142 HA2 GLY 23 1HA GLY 23 -7.969 -6.407 4.745
143 HA3 GLY 23 2HA GLY 23 -8.691 -5.477 6.050
144 H ASP 24 H ASP 24 -8.623 -2.966 5.428
145 HA ASP 24 HA ASP 24 -10.086 -2.810 2.894
146 HB2 ASP 24 1HB ASP 24 -10.120 -1.237 5.433
147 HB3 ASP 24 2HB ASP 24 -10.590 -0.429 3.940
148 H ASN 25 H ASN 25 -9.556 -1.378 1.278
149 HA ASN 25 HA ASN 25 -6.847 -0.750 0.920
150 HB2 ASN 25 1HB ASN 25 -9.380 -0.116 -0.508
151 HB3 ASN 25 2HB ASN 25 -7.971 0.871 -0.886
152 HD21 ASN 25 1HD2 ASN 25 -9.136 -2.447 -0.708
153 HD22 ASN 25 2HD2 ASN 25 -8.083 -3.073 -1.926
154 H SER 26 H SER 26 -9.587 1.243 1.936
155 HA SER 26 HA SER 26 -8.680 3.765 1.892
156 HB2 SER 26 1HB SER 26 -10.825 3.112 2.914
157 HB3 SER 26 2HB SER 26 -9.963 2.483 4.318
158 HG SER 26 HG SER 26 -10.574 5.075 3.640
159 H SER 27 H SER 27 -7.743 1.372 4.342
160 HA SER 27 HA SER 27 -6.033 3.089 5.794
161 HB2 SER 27 1HB SER 27 -6.858 1.058 6.816
162 HB3 SER 27 2HB SER 27 -6.087 0.071 5.575
163 HG SER 27 HG SER 27 -4.472 1.810 7.041
164 H CYS 28 H CYS 28 -5.306 0.569 3.381
165 HA CYS 28 HA CYS 28 -2.588 0.737 3.255
166 HB2 CYS 28 1HB CYS 28 -4.220 -0.716 1.880
167 HB3 CYS 28 2HB CYS 28 -4.218 0.614 0.728
168 HG CYS 28 HG CYS 28 -1.789 -1.621 1.423
169 H THR 29 H THR 29 -4.805 2.676 1.240
170 HA THR 29 HA THR 29 -3.016 4.262 -0.075
171 HB THR 29 HB THR 29 -4.794 6.094 0.058
172 HG1 THR 29 HG1 THR 29 -5.828 4.175 1.807
173 HG21 THR 29 3HG2 THR 29 -6.096 5.056 -1.570
174 HG22 THR 29 1HG2 THR 29 -5.972 3.474 -0.802
175 HG23 THR 29 2HG2 THR 29 -4.583 4.155 -1.648
176 H GLN 30 H GLN 30 -4.063 4.545 3.266
177 HA GLN 30 HA GLN 30 -2.716 7.058 3.680
178 HB2 GLN 30 1HB GLN 30 -3.941 5.120 5.650
179 HB3 GLN 30 2HB GLN 30 -3.333 6.719 6.055
180 HG2 GLN 30 1HG GLN 30 -5.712 6.002 4.378
181 HG3 GLN 30 2HG GLN 30 -5.661 6.938 5.871
182 HE21 GLN 30 1HE2 GLN 30 -5.777 9.050 5.657
183 HE22 GLN 30 2HE2 GLN 30 -5.378 9.955 4.241
184 H HIS 31 H HIS 31 -2.046 3.660 4.201
185 HA HIS 31 HA HIS 31 0.106 3.814 5.947
186 HB2 HIS 31 1HB HIS 31 -0.679 1.652 5.504
187 HB3 HIS 31 2HB HIS 31 -0.612 1.884 3.759
188 HD1 HIS 31 HD1 HIS 31 1.384 0.739 6.644
189 HD2 HIS 31 HD2 HIS 31 2.015 1.669 2.644
190 HE1 HIS 31 HE1 HIS 31 3.643 -0.213 6.080
191 H GLN 32 H GLN 32 -0.036 4.397 2.492
192 HA GLN 32 HA GLN 32 2.630 4.322 1.798
193 HB2 GLN 32 1HB GLN 32 2.073 5.576 -0.087
194 HB3 GLN 32 2HB GLN 32 0.549 4.819 0.352
195 HG2 GLN 32 1HG GLN 32 -0.141 6.955 -0.037
196 HG3 GLN 32 2HG GLN 32 0.184 7.033 1.694
197 HE21 GLN 32 1HE2 GLN 32 0.668 9.165 1.827
198 HE22 GLN 32 2HE2 GLN 32 2.036 9.893 1.064
199 H ARG 33 H ARG 33 1.090 6.436 3.978
200 HA ARG 33 HA ARG 33 2.805 8.688 3.716
201 HB2 ARG 33 1HB ARG 33 0.959 7.735 5.897
202 HB3 ARG 33 2HB ARG 33 1.940 9.183 6.079
203 HG2 ARG 33 1HG ARG 33 0.130 8.844 3.721
204 HG3 ARG 33 2HG ARG 33 -0.487 9.422 5.271
205 HD2 ARG 33 1HD ARG 33 1.784 10.668 3.726
206 HD3 ARG 33 2HD ARG 33 0.122 11.258 3.740
207 HE ARG 33 HE ARG 33 1.099 11.064 6.380
208 HH11 ARG 33 1HH1 ARG 33 1.431 12.976 3.490
209 HH12 ARG 33 2HH1 ARG 33 1.876 14.419 4.339
210 HH21 ARG 33 1HH2 ARG 33 1.683 12.958 7.509
211 HH22 ARG 33 2HH2 ARG 33 2.019 14.408 6.625
212 H LEU 34 H LEU 34 2.929 5.718 5.576
213 HA LEU 34 HA LEU 34 5.019 6.465 7.326
214 HB2 LEU 34 1HB LEU 34 4.215 3.733 6.338
215 HB3 LEU 34 2HB LEU 34 5.291 4.049 7.697
216 HG LEU 34 HG LEU 34 2.409 4.926 7.612
217 HD11 LEU 34 1HD1 LEU 34 1.732 2.908 8.247
218 HD12 LEU 34 2HD1 LEU 34 3.024 2.773 9.439
219 HD13 LEU 34 3HD1 LEU 34 3.319 2.309 7.763
220 HD21 LEU 34 3HD2 LEU 34 4.637 5.326 9.432
221 HD22 LEU 34 1HD2 LEU 34 3.238 4.600 10.224
222 HD23 LEU 34 2HD2 LEU 34 3.069 6.132 9.366
223 H HIS 35 H HIS 35 4.958 5.394 4.030
224 HA HIS 35 HA HIS 35 7.664 4.533 3.864
225 HB2 HIS 35 1HB HIS 35 5.484 5.138 1.934
226 HB3 HIS 35 2HB HIS 35 7.132 5.162 1.316
227 HD1 HIS 35 HD1 HIS 35 8.356 2.920 1.117
228 HD2 HIS 35 HD2 HIS 35 4.545 2.603 2.741
229 HE1 HIS 35 HE1 HIS 35 7.831 0.461 1.125
230 H THR 36 H THR 36 6.112 7.619 3.789
231 HA THR 36 HA THR 36 7.719 9.250 2.339
232 HB THR 36 HB THR 36 5.752 9.836 3.948
233 HG1 THR 36 HG1 THR 36 6.635 11.395 2.604
234 HG21 THR 36 3HG2 THR 36 6.963 9.185 6.006
235 HG22 THR 36 1HG2 THR 36 6.428 10.864 6.038
236 HG23 THR 36 2HG2 THR 36 8.118 10.484 5.710
237 H GLY 37 H GLY 37 9.710 10.200 2.497
238 HA2 GLY 37 1HA GLY 37 11.754 10.772 3.484
239 HA3 GLY 37 2HA GLY 37 11.321 9.806 4.888
240 H GLN 38 H GLN 38 13.404 8.864 4.890
241 HA GLN 38 HA GLN 38 14.073 7.158 2.609
242 HB2 GLN 38 1HB GLN 38 16.268 6.952 3.595
243 HB3 GLN 38 2HB GLN 38 15.817 8.651 3.552
244 HG2 GLN 38 1HG GLN 38 15.611 8.801 5.826
245 HG3 GLN 38 2HG GLN 38 15.264 7.083 6.017
246 HE21 GLN 38 1HE2 GLN 38 17.685 9.509 5.888
247 HE22 GLN 38 2HE2 GLN 38 19.039 8.491 6.229
248 H ARG 39 H ARG 39 15.216 5.023 3.364
249 HA ARG 39 HA ARG 39 13.207 3.557 4.857
250 HB2 ARG 39 1HB ARG 39 15.597 2.748 3.216
251 HB3 ARG 39 2HB ARG 39 14.724 1.585 4.204
252 HG2 ARG 39 1HG ARG 39 12.860 1.642 2.874
253 HG3 ARG 39 2HG ARG 39 13.196 3.273 2.290
254 HD2 ARG 39 1HD ARG 39 13.544 1.657 0.516
255 HD3 ARG 39 2HD ARG 39 15.076 2.400 0.975
256 HE ARG 39 HE ARG 39 14.727 0.024 2.435
257 HH11 ARG 39 1HH1 ARG 39 15.349 1.118 -0.811
258 HH12 ARG 39 2HH1 ARG 39 16.219 -0.310 -1.265
259 HH21 ARG 39 1HH2 ARG 39 15.870 -1.861 1.849
260 HH22 ARG 39 2HH2 ARG 39 16.514 -2.004 0.249
261 HA PRO 40 HA PRO 40 15.395 3.464 8.675
262 HB2 PRO 40 1HB PRO 40 14.331 1.201 9.730
263 HB3 PRO 40 2HB PRO 40 13.433 2.718 9.609
264 HG2 PRO 40 1HG PRO 40 13.344 0.316 7.824
265 HG3 PRO 40 2HG PRO 40 12.006 1.307 8.434
266 HD2 PRO 40 1HD PRO 40 13.001 1.584 5.931
267 HD3 PRO 40 2HD PRO 40 12.334 2.949 6.849
268 H SER 41 H SER 41 15.815 1.187 6.216
269 HA SER 41 HA SER 41 17.199 -0.922 7.159
270 HB2 SER 41 1HB SER 41 17.752 0.818 4.766
271 HB3 SER 41 2HB SER 41 18.745 -0.598 5.109
272 HG SER 41 HG SER 41 16.006 -0.464 4.463
273 H GLY 42 H GLY 42 18.822 2.158 6.352
274 HA2 GLY 42 1HA GLY 42 20.221 3.016 8.297
275 HA3 GLY 42 2HA GLY 42 20.940 1.413 8.267
276 HA PRO 43 HA PRO 43 23.798 2.497 5.119
277 HB2 PRO 43 1HB PRO 43 23.450 0.720 3.097
278 HB3 PRO 43 2HB PRO 43 24.158 0.276 4.654
279 HG2 PRO 43 1HG PRO 43 21.357 -0.106 3.669
280 HG3 PRO 43 2HG PRO 43 22.391 -1.233 4.568
281 HD2 PRO 43 1HD PRO 43 20.447 0.227 5.760
282 HD3 PRO 43 2HD PRO 43 21.951 -0.221 6.591
283 H SER 44 H SER 44 23.805 4.235 3.851
284 HA SER 44 HA SER 44 21.855 4.426 1.670
285 HB2 SER 44 1HB SER 44 21.208 5.774 3.798
286 HB3 SER 44 2HB SER 44 22.507 6.862 3.308
287 HG SER 44 HG SER 44 21.416 7.373 1.493
288 H SER 45 H SER 45 22.518 5.701 -0.099
289 HA SER 45 HA SER 45 24.017 6.464 -1.632
290 HB2 SER 45 1HB SER 45 25.118 7.588 0.927
291 HB3 SER 45 2HB SER 45 25.988 7.816 -0.590
292 HG SER 45 HG SER 45 24.280 9.425 0.147
293 H GLY 46 H GLY 46 24.285 3.790 -0.932
294 HA2 GLY 46 1HA GLY 46 27.076 3.370 -1.628
295 HA3 GLY 46 2HA GLY 46 26.565 2.672 -0.098
Start of MODEL 16
1 H1 GLY 1 H GLY 1 0.930 -26.027 -14.019
2 HA2 GLY 1 1HA GLY 1 -0.855 -26.182 -11.689
3 HA3 GLY 1 2HA GLY 1 0.711 -26.977 -11.615
4 H SER 2 H SER 2 -0.414 -24.747 -10.028
5 HA SER 2 HA SER 2 1.003 -22.379 -10.815
6 HB2 SER 2 1HB SER 2 -0.616 -23.182 -8.418
7 HB3 SER 2 2HB SER 2 0.364 -21.716 -8.368
8 HG SER 2 HG SER 2 -2.010 -21.839 -9.277
9 H SER 3 H SER 3 1.369 -24.704 -8.140
10 HA SER 3 HA SER 3 3.169 -25.318 -6.891
11 HB2 SER 3 1HB SER 3 4.415 -24.476 -9.470
12 HB3 SER 3 2HB SER 3 5.473 -24.760 -8.088
13 HG SER 3 HG SER 3 4.150 -26.547 -9.655
14 H GLY 4 H GLY 4 1.992 -22.883 -6.254
15 HA2 GLY 4 1HA GLY 4 4.318 -21.222 -5.506
16 HA3 GLY 4 2HA GLY 4 2.701 -20.586 -5.765
17 H SER 5 H SER 5 4.776 -22.371 -3.594
18 HA SER 5 HA SER 5 2.701 -22.242 -1.513
19 HB2 SER 5 1HB SER 5 5.026 -24.061 -1.990
20 HB3 SER 5 2HB SER 5 4.488 -23.794 -0.332
21 HG SER 5 HG SER 5 2.454 -24.551 -0.906
22 H SER 6 H SER 6 3.965 -19.867 -2.157
23 HA SER 6 HA SER 6 5.792 -19.453 0.118
24 HB2 SER 6 1HB SER 6 5.572 -17.742 -2.368
25 HB3 SER 6 2HB SER 6 6.786 -17.615 -1.095
26 HG SER 6 HG SER 6 7.882 -18.918 -2.325
27 H GLY 7 H GLY 7 3.214 -17.906 -1.787
28 HA2 GLY 7 1HA GLY 7 2.645 -16.165 0.520
29 HA3 GLY 7 2HA GLY 7 2.155 -15.846 -1.137
30 H THR 8 H THR 8 1.073 -18.346 -1.788
31 HA THR 8 HA THR 8 -1.035 -19.249 -1.821
32 HB THR 8 HB THR 8 -1.673 -20.354 0.344
33 HG1 THR 8 HG1 THR 8 0.790 -19.243 1.256
34 HG21 THR 8 3HG2 THR 8 0.586 -21.676 0.453
35 HG22 THR 8 1HG2 THR 8 0.993 -20.703 -0.960
36 HG23 THR 8 2HG2 THR 8 -0.420 -21.758 -0.993
37 H GLY 9 H GLY 9 -1.126 -16.436 -1.628
38 HA2 GLY 9 1HA GLY 9 -3.566 -16.102 0.005
39 HA3 GLY 9 2HA GLY 9 -2.340 -14.848 -0.100
40 H GLU 10 H GLU 10 -5.157 -14.680 -0.787
41 HA GLU 10 HA GLU 10 -5.037 -14.325 -3.700
42 HB2 GLU 10 1HB GLU 10 -6.927 -15.611 -2.364
43 HB3 GLU 10 2HB GLU 10 -7.567 -13.987 -2.153
44 HG2 GLU 10 1HG GLU 10 -7.316 -13.781 -4.700
45 HG3 GLU 10 2HG GLU 10 -7.175 -15.538 -4.680
46 H LYS 11 H LYS 11 -3.655 -12.489 -2.084
47 HA LYS 11 HA LYS 11 -5.343 -10.083 -2.223
48 HB2 LYS 11 1HB LYS 11 -2.961 -10.809 -0.549
49 HB3 LYS 11 2HB LYS 11 -3.363 -9.120 -0.830
50 HG2 LYS 11 1HG LYS 11 -5.448 -11.005 0.179
51 HG3 LYS 11 2HG LYS 11 -4.254 -10.319 1.284
52 HD2 LYS 11 1HD LYS 11 -4.934 -8.052 0.273
53 HD3 LYS 11 2HD LYS 11 -6.348 -8.911 -0.341
54 HE2 LYS 11 1HE LYS 11 -7.060 -8.022 1.699
55 HE3 LYS 11 2HE LYS 11 -6.680 -9.703 2.071
56 HZ1 LYS 11 3HZ LYS 11 -4.361 -8.176 2.426
57 HZ2 LYS 11 1HZ LYS 11 -5.260 -9.004 3.597
58 HZ3 LYS 11 2HZ LYS 11 -5.622 -7.391 3.237
59 HA PRO 12 HA PRO 12 -2.400 -9.749 -5.790
60 HB2 PRO 12 1HB PRO 12 -4.257 -8.801 -7.529
61 HB3 PRO 12 2HB PRO 12 -3.989 -10.527 -7.256
62 HG2 PRO 12 1HG PRO 12 -6.101 -8.735 -6.121
63 HG3 PRO 12 2HG PRO 12 -6.255 -10.384 -6.755
64 HD2 PRO 12 1HD PRO 12 -6.133 -9.848 -4.103
65 HD3 PRO 12 2HD PRO 12 -5.477 -11.340 -4.807
66 H TYR 13 H TYR 13 -3.980 -7.742 -3.712
67 HA TYR 13 HA TYR 13 -2.792 -5.355 -4.958
68 HB2 TYR 13 1HB TYR 13 -4.794 -4.200 -3.624
69 HB3 TYR 13 2HB TYR 13 -4.976 -4.762 -5.282
70 HD1 TYR 13 HD1 TYR 13 -5.660 -5.611 -1.747
71 HD2 TYR 13 HD2 TYR 13 -6.487 -6.508 -5.823
72 HE1 TYR 13 HE1 TYR 13 -7.525 -7.053 -1.045
73 HE2 TYR 13 HE2 TYR 13 -8.355 -7.952 -5.133
74 HH TYR 13 HH TYR 13 -9.189 -9.122 -3.281
75 H LYS 14 H LYS 14 -0.975 -5.864 -3.573
76 HA LYS 14 HA LYS 14 -1.381 -4.834 -0.852
77 HB2 LYS 14 1HB LYS 14 0.030 -6.500 0.112
78 HB3 LYS 14 2HB LYS 14 -1.174 -7.341 -0.856
79 HG2 LYS 14 1HG LYS 14 0.447 -7.638 -2.644
80 HG3 LYS 14 2HG LYS 14 1.655 -6.754 -1.709
81 HD2 LYS 14 1HD LYS 14 0.328 -9.128 -0.484
82 HD3 LYS 14 2HD LYS 14 1.591 -9.382 -1.691
83 HE2 LYS 14 1HE LYS 14 2.906 -7.651 -0.227
84 HE3 LYS 14 2HE LYS 14 1.770 -8.153 1.024
85 HZ1 LYS 14 3HZ LYS 14 3.285 -10.152 -0.530
86 HZ2 LYS 14 1HZ LYS 14 2.566 -10.314 0.993
87 HZ3 LYS 14 2HZ LYS 14 3.977 -9.399 0.818
88 H CYS 15 H CYS 15 0.567 -3.951 0.128
89 HA CYS 15 HA CYS 15 1.986 -2.271 -1.632
90 HB2 CYS 15 1HB CYS 15 1.565 -1.696 0.721
91 HB3 CYS 15 2HB CYS 15 2.627 -3.004 1.233
92 H MET 16 H MET 16 3.894 -2.469 -2.649
93 HA MET 16 HA MET 16 5.269 -5.043 -2.434
94 HB2 MET 16 1HB MET 16 6.349 -4.426 -4.546
95 HB3 MET 16 2HB MET 16 4.597 -4.330 -4.674
96 HG2 MET 16 1HG MET 16 4.803 -1.865 -4.261
97 HG3 MET 16 2HG MET 16 6.547 -2.060 -4.420
98 HE1 MET 16 3HE MET 16 5.067 -0.248 -7.617
99 HE2 MET 16 1HE MET 16 5.216 -0.039 -5.872
100 HE3 MET 16 2HE MET 16 6.656 -0.309 -6.854
101 H GLU 17 H GLU 17 5.771 -1.606 -1.984
102 HA GLU 17 HA GLU 17 8.479 -1.345 -1.867
103 HB2 GLU 17 1HB GLU 17 6.493 0.307 -1.267
104 HB3 GLU 17 2HB GLU 17 6.917 -0.151 0.377
105 HG2 GLU 17 1HG GLU 17 8.000 1.940 -0.571
106 HG3 GLU 17 2HG GLU 17 9.057 0.764 0.208
107 H CYS 18 H CYS 18 6.589 -1.909 1.102
108 HA CYS 18 HA CYS 18 8.934 -3.135 2.325
109 HB2 CYS 18 1HB CYS 18 7.677 -2.991 4.418
110 HB3 CYS 18 2HB CYS 18 7.692 -1.434 3.597
111 H GLY 19 H GLY 19 5.542 -3.923 1.626
112 HA2 GLY 19 1HA GLY 19 5.032 -6.136 0.757
113 HA3 GLY 19 2HA GLY 19 6.283 -6.774 1.812
114 H LYS 20 H LYS 20 3.231 -4.945 1.994
115 HA LYS 20 HA LYS 20 2.356 -6.736 4.132
116 HB2 LYS 20 1HB LYS 20 2.683 -3.763 4.357
117 HB3 LYS 20 2HB LYS 20 1.423 -4.580 5.273
118 HG2 LYS 20 1HG LYS 20 2.934 -5.725 6.589
119 HG3 LYS 20 2HG LYS 20 4.238 -5.566 5.409
120 HD2 LYS 20 1HD LYS 20 4.076 -3.042 5.881
121 HD3 LYS 20 2HD LYS 20 3.160 -3.513 7.315
122 HE2 LYS 20 1HE LYS 20 5.190 -5.129 7.696
123 HE3 LYS 20 2HE LYS 20 6.030 -3.987 6.647
124 HZ1 LYS 20 3HZ LYS 20 6.189 -2.540 8.303
125 HZ2 LYS 20 1HZ LYS 20 5.616 -3.739 9.351
126 HZ3 LYS 20 2HZ LYS 20 4.537 -2.637 8.656
127 H ALA 21 H ALA 21 0.299 -7.341 3.882
128 HA ALA 21 HA ALA 21 -1.280 -6.032 1.800
129 HB1 ALA 21 3HB ALA 21 -0.861 -8.694 2.433
130 HB2 ALA 21 1HB ALA 21 -2.498 -8.370 3.005
131 HB3 ALA 21 2HB ALA 21 -2.073 -8.057 1.321
132 H PHE 22 H PHE 22 -3.378 -5.283 2.130
133 HA PHE 22 HA PHE 22 -4.357 -5.173 4.887
134 HB2 PHE 22 1HB PHE 22 -4.257 -2.723 3.123
135 HB3 PHE 22 2HB PHE 22 -4.740 -2.805 4.814
136 HD1 PHE 22 HD2 PHE 22 -3.072 -3.072 6.573
137 HD2 PHE 22 HD1 PHE 22 -1.948 -2.698 2.485
138 HE1 PHE 22 HE2 PHE 22 -0.760 -2.584 7.257
139 HE2 PHE 22 HE1 PHE 22 0.366 -2.209 3.163
140 HZ PHE 22 HZ PHE 22 0.963 -2.150 5.551
141 H GLY 23 H GLY 23 -6.576 -5.095 5.096
142 HA2 GLY 23 1HA GLY 23 -8.063 -5.506 2.583
143 HA3 GLY 23 2HA GLY 23 -8.532 -6.151 4.149
144 H ASP 24 H ASP 24 -7.464 -2.855 3.505
145 HA ASP 24 HA ASP 24 -10.143 -1.800 3.513
146 HB2 ASP 24 1HB ASP 24 -8.347 -1.064 5.828
147 HB3 ASP 24 2HB ASP 24 -10.015 -0.562 5.566
148 H ASN 25 H ASN 25 -10.150 -0.079 2.231
149 HA ASN 25 HA ASN 25 -7.824 0.981 1.078
150 HB2 ASN 25 1HB ASN 25 -10.644 2.061 1.203
151 HB3 ASN 25 2HB ASN 25 -9.366 2.790 0.235
152 HD21 ASN 25 1HD2 ASN 25 -9.553 2.279 -1.811
153 HD22 ASN 25 2HD2 ASN 25 -10.047 0.749 -2.443
154 H SER 26 H SER 26 -9.890 2.193 3.687
155 HA SER 26 HA SER 26 -8.736 4.685 4.067
156 HB2 SER 26 1HB SER 26 -10.796 3.801 5.212
157 HB3 SER 26 2HB SER 26 -9.737 2.883 6.282
158 HG SER 26 HG SER 26 -9.303 5.634 5.984
159 H SER 27 H SER 27 -7.702 1.526 5.244
160 HA SER 27 HA SER 27 -5.583 2.569 6.865
161 HB2 SER 27 1HB SER 27 -6.682 0.387 7.322
162 HB3 SER 27 2HB SER 27 -5.979 -0.251 5.836
163 HG SER 27 HG SER 27 -3.938 0.025 6.717
164 H CYS 28 H CYS 28 -5.690 0.837 3.756
165 HA CYS 28 HA CYS 28 -2.985 0.802 3.190
166 HB2 CYS 28 1HB CYS 28 -4.855 -0.304 1.885
167 HB3 CYS 28 2HB CYS 28 -5.134 1.255 1.119
168 HG CYS 28 HG CYS 28 -2.469 1.356 0.083
169 H THR 29 H THR 29 -5.345 3.366 2.594
170 HA THR 29 HA THR 29 -3.767 5.090 1.087
171 HB THR 29 HB THR 29 -5.201 6.929 2.201
172 HG1 THR 29 HG1 THR 29 -5.676 5.261 3.982
173 HG21 THR 29 3HG2 THR 29 -6.770 4.723 0.889
174 HG22 THR 29 1HG2 THR 29 -5.610 5.706 -0.004
175 HG23 THR 29 2HG2 THR 29 -7.007 6.466 0.760
176 H GLN 30 H GLN 30 -3.969 4.671 4.585
177 HA GLN 30 HA GLN 30 -2.201 6.866 5.147
178 HB2 GLN 30 1HB GLN 30 -3.613 6.516 6.930
179 HB3 GLN 30 2HB GLN 30 -3.584 4.767 6.748
180 HG2 GLN 30 1HG GLN 30 -1.656 4.531 7.958
181 HG3 GLN 30 2HG GLN 30 -1.095 6.160 7.587
182 HE21 GLN 30 1HE2 GLN 30 -0.664 6.021 9.961
183 HE22 GLN 30 2HE2 GLN 30 -1.925 6.532 11.026
184 H HIS 31 H HIS 31 -1.932 3.335 5.082
185 HA HIS 31 HA HIS 31 0.622 3.002 6.057
186 HB2 HIS 31 1HB HIS 31 -0.782 1.101 5.535
187 HB3 HIS 31 2HB HIS 31 -0.755 1.504 3.820
188 HD1 HIS 31 HD1 HIS 31 1.530 0.252 6.558
189 HD2 HIS 31 HD2 HIS 31 1.346 0.447 2.413
190 HE1 HIS 31 HE1 HIS 31 3.459 -1.135 5.734
191 H GLN 32 H GLN 32 -0.385 4.336 3.018
192 HA GLN 32 HA GLN 32 2.289 4.204 1.886
193 HB2 GLN 32 1HB GLN 32 -0.411 4.961 0.888
194 HB3 GLN 32 2HB GLN 32 0.983 5.681 0.094
195 HG2 GLN 32 1HG GLN 32 1.852 3.516 -0.468
196 HG3 GLN 32 2HG GLN 32 0.581 2.723 0.462
197 HE21 GLN 32 1HE2 GLN 32 1.131 4.860 -2.293
198 HE22 GLN 32 2HE2 GLN 32 -0.241 4.336 -3.203
199 H ARG 33 H ARG 33 0.041 6.601 3.169
200 HA ARG 33 HA ARG 33 1.179 8.972 2.521
201 HB2 ARG 33 1HB ARG 33 -0.772 8.328 4.195
202 HB3 ARG 33 2HB ARG 33 0.485 8.585 5.397
203 HG2 ARG 33 1HG ARG 33 -0.491 10.659 5.286
204 HG3 ARG 33 2HG ARG 33 0.847 10.836 4.149
205 HD2 ARG 33 1HD ARG 33 -0.872 10.071 2.376
206 HD3 ARG 33 2HD ARG 33 -2.076 10.495 3.593
207 HE ARG 33 HE ARG 33 -0.462 12.691 3.430
208 HH11 ARG 33 1HH1 ARG 33 -2.345 10.839 1.162
209 HH12 ARG 33 2HH1 ARG 33 -2.665 12.190 0.125
210 HH21 ARG 33 1HH2 ARG 33 -0.875 14.477 2.073
211 HH22 ARG 33 2HH2 ARG 33 -1.827 14.258 0.643
212 H LEU 34 H LEU 34 2.463 6.582 4.719
213 HA LEU 34 HA LEU 34 4.571 8.339 5.657
214 HB2 LEU 34 1HB LEU 34 5.089 6.715 7.199
215 HB3 LEU 34 2HB LEU 34 3.359 6.464 6.973
216 HG LEU 34 HG LEU 34 4.227 4.696 5.195
217 HD11 LEU 34 1HD1 LEU 34 6.591 5.251 5.526
218 HD12 LEU 34 2HD1 LEU 34 6.242 3.578 5.960
219 HD13 LEU 34 3HD1 LEU 34 6.456 4.790 7.223
220 HD21 LEU 34 3HD2 LEU 34 3.688 4.552 8.099
221 HD22 LEU 34 1HD2 LEU 34 4.411 3.126 7.353
222 HD23 LEU 34 2HD2 LEU 34 2.877 3.755 6.750
223 H HIS 35 H HIS 35 4.149 5.667 3.420
224 HA HIS 35 HA HIS 35 6.878 5.154 2.920
225 HB2 HIS 35 1HB HIS 35 4.306 4.522 1.564
226 HB3 HIS 35 2HB HIS 35 5.778 4.380 0.608
227 HD1 HIS 35 HD1 HIS 35 7.474 3.352 3.168
228 HD2 HIS 35 HD2 HIS 35 3.953 1.750 1.652
229 HE1 HIS 35 HE1 HIS 35 7.438 0.959 3.938
230 H THR 36 H THR 36 4.641 7.527 1.673
231 HA THR 36 HA THR 36 6.480 8.380 -0.410
232 HB THR 36 HB THR 36 4.071 8.388 -0.889
233 HG1 THR 36 HG1 THR 36 5.549 10.788 -0.908
234 HG21 THR 36 3HG2 THR 36 3.712 10.734 0.931
235 HG22 THR 36 1HG2 THR 36 3.559 9.099 1.572
236 HG23 THR 36 2HG2 THR 36 2.502 9.638 0.266
237 H GLY 37 H GLY 37 7.855 10.051 -0.271
238 HA2 GLY 37 1HA GLY 37 8.434 12.260 0.472
239 HA3 GLY 37 2HA GLY 37 7.526 11.959 1.946
240 H GLN 38 H GLN 38 8.532 9.521 2.734
241 HA GLN 38 HA GLN 38 11.419 9.999 3.028
242 HB2 GLN 38 1HB GLN 38 9.804 10.643 5.026
243 HB3 GLN 38 2HB GLN 38 9.878 8.914 5.342
244 HG2 GLN 38 1HG GLN 38 12.247 8.994 5.616
245 HG3 GLN 38 2HG GLN 38 12.302 10.672 5.078
246 HE21 GLN 38 1HE2 GLN 38 13.511 10.346 7.327
247 HE22 GLN 38 2HE2 GLN 38 12.569 10.843 8.687
248 H ARG 39 H ARG 39 12.575 8.052 3.892
249 HA ARG 39 HA ARG 39 11.302 5.575 2.927
250 HB2 ARG 39 1HB ARG 39 13.309 6.700 1.611
251 HB3 ARG 39 2HB ARG 39 14.268 5.886 2.840
252 HG2 ARG 39 1HG ARG 39 13.535 3.759 2.154
253 HG3 ARG 39 2HG ARG 39 12.227 4.439 1.182
254 HD2 ARG 39 1HD ARG 39 15.017 5.229 0.531
255 HD3 ARG 39 2HD ARG 39 14.494 3.602 0.097
256 HE ARG 39 HE ARG 39 12.538 5.349 -0.805
257 HH11 ARG 39 1HH1 ARG 39 15.910 4.716 -1.393
258 HH12 ARG 39 2HH1 ARG 39 15.856 5.245 -3.042
259 HH21 ARG 39 1HH2 ARG 39 12.453 6.048 -2.975
260 HH22 ARG 39 2HH2 ARG 39 13.889 6.003 -3.940
261 HA PRO 40 HA PRO 40 12.090 3.960 6.951
262 HB2 PRO 40 1HB PRO 40 11.929 1.314 6.365
263 HB3 PRO 40 2HB PRO 40 10.512 2.367 6.449
264 HG2 PRO 40 1HG PRO 40 12.033 1.428 4.049
265 HG3 PRO 40 2HG PRO 40 10.280 1.548 4.286
266 HD2 PRO 40 1HD PRO 40 11.695 3.402 2.910
267 HD3 PRO 40 2HD PRO 40 10.251 3.813 3.858
268 H SER 41 H SER 41 13.851 3.424 8.114
269 HA SER 41 HA SER 41 16.273 2.687 6.640
270 HB2 SER 41 1HB SER 41 15.924 3.762 9.449
271 HB3 SER 41 2HB SER 41 17.474 3.401 8.690
272 HG SER 41 HG SER 41 17.251 5.097 7.378
273 H GLY 42 H GLY 42 14.194 0.739 7.247
274 HA2 GLY 42 1HA GLY 42 15.895 -1.196 8.632
275 HA3 GLY 42 2HA GLY 42 14.289 -0.923 9.291
276 HA PRO 43 HA PRO 43 14.416 -3.919 5.520
277 HB2 PRO 43 1HB PRO 43 14.876 -6.297 6.746
278 HB3 PRO 43 2HB PRO 43 16.170 -5.289 6.087
279 HG2 PRO 43 1HG PRO 43 15.225 -5.548 8.916
280 HG3 PRO 43 2HG PRO 43 16.884 -5.474 8.293
281 HD2 PRO 43 1HD PRO 43 15.641 -3.331 9.386
282 HD3 PRO 43 2HD PRO 43 16.836 -3.179 8.082
283 H SER 44 H SER 44 12.914 -5.819 5.240
284 HA SER 44 HA SER 44 10.608 -5.516 7.047
285 HB2 SER 44 1HB SER 44 10.849 -5.851 4.098
286 HB3 SER 44 2HB SER 44 9.471 -6.615 4.889
287 HG SER 44 HG SER 44 8.932 -4.571 5.755
288 H SER 45 H SER 45 12.180 -7.921 4.937
289 HA SER 45 HA SER 45 10.897 -10.118 6.271
290 HB2 SER 45 1HB SER 45 11.587 -10.098 3.834
291 HB3 SER 45 2HB SER 45 13.255 -10.258 4.384
292 HG SER 45 HG SER 45 11.114 -12.074 4.757
293 H GLY 46 H GLY 46 12.423 -12.020 6.938
294 HA2 GLY 46 1HA GLY 46 14.473 -10.892 8.744
295 HA3 GLY 46 2HA GLY 46 13.433 -12.239 9.182
Start of MODEL 17
1 H1 GLY 1 H GLY 1 10.362 -12.372 4.974
2 HA2 GLY 1 1HA GLY 1 13.079 -12.206 3.972
3 HA3 GLY 1 2HA GLY 1 12.753 -13.595 4.997
4 H SER 2 H SER 2 12.806 -15.250 3.585
5 HA SER 2 HA SER 2 10.640 -15.456 1.683
6 HB2 SER 2 1HB SER 2 11.991 -15.840 -0.272
7 HB3 SER 2 2HB SER 2 12.486 -14.297 0.426
8 HG SER 2 HG SER 2 14.060 -15.891 1.588
9 H SER 3 H SER 3 10.830 -17.655 0.497
10 HA SER 3 HA SER 3 11.914 -19.655 2.371
11 HB2 SER 3 1HB SER 3 9.971 -21.067 1.933
12 HB3 SER 3 2HB SER 3 9.446 -19.495 2.534
13 HG SER 3 HG SER 3 8.456 -19.156 0.714
14 H GLY 4 H GLY 4 10.892 -19.036 -0.973
15 HA2 GLY 4 1HA GLY 4 13.162 -20.566 -1.940
16 HA3 GLY 4 2HA GLY 4 11.588 -21.241 -2.332
17 H SER 5 H SER 5 10.914 -20.742 -4.297
18 HA SER 5 HA SER 5 11.795 -18.190 -5.474
19 HB2 SER 5 1HB SER 5 12.590 -20.227 -6.647
20 HB3 SER 5 2HB SER 5 10.914 -20.709 -6.906
21 HG SER 5 HG SER 5 10.875 -18.387 -7.855
22 H SER 6 H SER 6 10.172 -16.810 -4.943
23 HA SER 6 HA SER 6 7.656 -17.156 -6.314
24 HB2 SER 6 1HB SER 6 7.518 -18.276 -3.961
25 HB3 SER 6 2HB SER 6 7.446 -16.618 -3.366
26 HG SER 6 HG SER 6 5.536 -16.331 -4.335
27 H GLY 7 H GLY 7 6.531 -15.220 -6.610
28 HA2 GLY 7 1HA GLY 7 7.818 -12.802 -5.519
29 HA3 GLY 7 2HA GLY 7 7.501 -12.940 -7.243
30 H THR 8 H THR 8 5.000 -14.021 -7.317
31 HA THR 8 HA THR 8 3.346 -12.097 -5.820
32 HB THR 8 HB THR 8 1.846 -11.991 -7.830
33 HG1 THR 8 HG1 THR 8 2.632 -13.853 -8.911
34 HG21 THR 8 3HG2 THR 8 4.254 -10.626 -7.309
35 HG22 THR 8 1HG2 THR 8 2.877 -10.062 -8.255
36 HG23 THR 8 2HG2 THR 8 4.206 -10.908 -9.049
37 H GLY 9 H GLY 9 1.091 -12.737 -5.560
38 HA2 GLY 9 1HA GLY 9 0.390 -15.496 -6.092
39 HA3 GLY 9 2HA GLY 9 0.644 -15.125 -4.393
40 H GLU 10 H GLU 10 -1.059 -13.715 -7.195
41 HA GLU 10 HA GLU 10 -3.066 -12.632 -7.333
42 HB2 GLU 10 1HB GLU 10 -3.661 -15.085 -7.036
43 HB3 GLU 10 2HB GLU 10 -3.994 -14.708 -5.352
44 HG2 GLU 10 1HG GLU 10 -6.078 -14.602 -6.346
45 HG3 GLU 10 2HG GLU 10 -5.577 -12.913 -6.279
46 H LYS 11 H LYS 11 -1.392 -11.366 -5.548
47 HA LYS 11 HA LYS 11 -3.238 -10.529 -3.407
48 HB2 LYS 11 1HB LYS 11 -0.246 -10.781 -3.456
49 HB3 LYS 11 2HB LYS 11 -1.028 -9.670 -2.338
50 HG2 LYS 11 1HG LYS 11 -2.125 -11.413 -1.206
51 HG3 LYS 11 2HG LYS 11 -1.773 -12.573 -2.488
52 HD2 LYS 11 1HD LYS 11 0.516 -11.254 -1.120
53 HD3 LYS 11 2HD LYS 11 -0.368 -12.507 -0.245
54 HE2 LYS 11 1HE LYS 11 1.196 -13.798 -1.294
55 HE3 LYS 11 2HE LYS 11 -0.071 -13.812 -2.520
56 HZ1 LYS 11 3HZ LYS 11 2.175 -11.876 -2.520
57 HZ2 LYS 11 1HZ LYS 11 1.061 -12.160 -3.761
58 HZ3 LYS 11 2HZ LYS 11 2.208 -13.339 -3.368
59 HA PRO 12 HA PRO 12 -2.793 -6.941 -6.274
60 HB2 PRO 12 1HB PRO 12 -5.380 -6.154 -6.035
61 HB3 PRO 12 2HB PRO 12 -4.853 -7.384 -7.190
62 HG2 PRO 12 1HG PRO 12 -6.120 -7.731 -4.500
63 HG3 PRO 12 2HG PRO 12 -6.454 -8.592 -6.014
64 HD2 PRO 12 1HD PRO 12 -4.920 -9.645 -4.047
65 HD3 PRO 12 2HD PRO 12 -4.639 -9.991 -5.766
66 H TYR 13 H TYR 13 -4.576 -7.127 -3.202
67 HA TYR 13 HA TYR 13 -4.109 -4.339 -2.622
68 HB2 TYR 13 1HB TYR 13 -5.093 -5.127 -0.330
69 HB3 TYR 13 2HB TYR 13 -6.140 -5.028 -1.741
70 HD1 TYR 13 HD1 TYR 13 -3.680 -7.645 -0.730
71 HD2 TYR 13 HD2 TYR 13 -7.754 -6.675 -1.483
72 HE1 TYR 13 HE1 TYR 13 -4.291 -10.009 -0.436
73 HE2 TYR 13 HE2 TYR 13 -8.376 -9.036 -1.190
74 HH TYR 13 HH TYR 13 -7.605 -11.044 -0.274
75 H LYS 14 H LYS 14 -1.699 -5.602 -3.042
76 HA LYS 14 HA LYS 14 -0.557 -5.812 -0.334
77 HB2 LYS 14 1HB LYS 14 -0.208 -7.865 -1.512
78 HB3 LYS 14 2HB LYS 14 0.339 -7.016 -2.952
79 HG2 LYS 14 1HG LYS 14 2.270 -7.897 -1.942
80 HG3 LYS 14 2HG LYS 14 2.275 -6.172 -1.569
81 HD2 LYS 14 1HD LYS 14 2.778 -7.072 0.488
82 HD3 LYS 14 2HD LYS 14 1.021 -6.946 0.597
83 HE2 LYS 14 1HE LYS 14 1.615 -9.102 1.398
84 HE3 LYS 14 2HE LYS 14 0.903 -9.324 -0.199
85 HZ1 LYS 14 3HZ LYS 14 3.033 -10.584 0.337
86 HZ2 LYS 14 1HZ LYS 14 3.826 -9.100 0.159
87 HZ3 LYS 14 2HZ LYS 14 2.970 -9.761 -1.140
88 H CYS 15 H CYS 15 1.144 -4.534 0.238
89 HA CYS 15 HA CYS 15 1.546 -2.131 -1.236
90 HB2 CYS 15 1HB CYS 15 1.683 -2.509 1.318
91 HB3 CYS 15 2HB CYS 15 3.326 -3.059 1.003
92 H MET 16 H MET 16 3.129 -1.555 -2.612
93 HA MET 16 HA MET 16 5.011 -3.632 -3.430
94 HB2 MET 16 1HB MET 16 3.510 -2.240 -5.023
95 HB3 MET 16 2HB MET 16 4.697 -0.966 -4.779
96 HG2 MET 16 1HG MET 16 5.503 -1.954 -6.672
97 HG3 MET 16 2HG MET 16 6.402 -2.826 -5.433
98 HE1 MET 16 3HE MET 16 3.619 -2.824 -8.033
99 HE2 MET 16 1HE MET 16 5.084 -3.515 -8.730
100 HE3 MET 16 2HE MET 16 3.640 -4.511 -8.549
101 H GLU 17 H GLU 17 5.113 -1.565 -1.061
102 HA GLU 17 HA GLU 17 7.809 -0.534 -1.628
103 HB2 GLU 17 1HB GLU 17 5.557 0.417 0.066
104 HB3 GLU 17 2HB GLU 17 7.189 0.728 0.643
105 HG2 GLU 17 1HG GLU 17 6.800 2.629 -0.548
106 HG3 GLU 17 2HG GLU 17 7.548 1.626 -1.789
107 H CYS 18 H CYS 18 5.909 -1.983 1.016
108 HA CYS 18 HA CYS 18 8.417 -3.030 2.142
109 HB2 CYS 18 1HB CYS 18 7.139 -3.288 4.253
110 HB3 CYS 18 2HB CYS 18 7.206 -1.618 3.698
111 H GLY 19 H GLY 19 5.028 -3.921 1.517
112 HA2 GLY 19 1HA GLY 19 4.616 -6.027 0.346
113 HA3 GLY 19 2HA GLY 19 5.933 -6.722 1.280
114 H LYS 20 H LYS 20 3.325 -4.649 2.460
115 HA LYS 20 HA LYS 20 2.527 -6.832 4.262
116 HB2 LYS 20 1HB LYS 20 2.420 -3.841 4.488
117 HB3 LYS 20 2HB LYS 20 1.356 -4.842 5.467
118 HG2 LYS 20 1HG LYS 20 3.212 -5.903 6.528
119 HG3 LYS 20 2HG LYS 20 4.351 -5.129 5.423
120 HD2 LYS 20 1HD LYS 20 4.529 -3.793 7.298
121 HD3 LYS 20 2HD LYS 20 3.324 -2.920 6.350
122 HE2 LYS 20 1HE LYS 20 2.708 -4.880 8.559
123 HE3 LYS 20 2HE LYS 20 2.715 -3.127 8.737
124 HZ1 LYS 20 3HZ LYS 20 0.511 -3.548 8.344
125 HZ2 LYS 20 1HZ LYS 20 0.814 -4.838 7.291
126 HZ3 LYS 20 2HZ LYS 20 1.048 -3.247 6.768
127 H ALA 21 H ALA 21 0.266 -7.140 4.707
128 HA ALA 21 HA ALA 21 -1.401 -6.538 2.365
129 HB1 ALA 21 3HB ALA 21 -1.897 -8.605 4.502
130 HB2 ALA 21 1HB ALA 21 -2.737 -8.435 2.960
131 HB3 ALA 21 2HB ALA 21 -1.042 -8.921 2.992
132 H PHE 22 H PHE 22 -3.581 -5.867 2.640
133 HA PHE 22 HA PHE 22 -4.300 -4.845 5.290
134 HB2 PHE 22 1HB PHE 22 -4.436 -3.192 2.759
135 HB3 PHE 22 2HB PHE 22 -4.972 -2.685 4.357
136 HD1 PHE 22 HD2 PHE 22 -3.318 -2.275 6.143
137 HD2 PHE 22 HD1 PHE 22 -2.148 -3.117 2.138
138 HE1 PHE 22 HE2 PHE 22 -1.070 -1.397 6.618
139 HE2 PHE 22 HE1 PHE 22 0.103 -2.241 2.607
140 HZ PHE 22 HZ PHE 22 0.644 -1.379 4.850
141 H GLY 23 H GLY 23 -6.548 -4.531 5.616
142 HA2 GLY 23 1HA GLY 23 -8.179 -6.170 3.808
143 HA3 GLY 23 2HA GLY 23 -8.578 -5.765 5.471
144 H ASP 24 H ASP 24 -8.163 -2.989 5.361
145 HA ASP 24 HA ASP 24 -10.401 -2.201 3.617
146 HB2 ASP 24 1HB ASP 24 -10.587 -2.008 6.180
147 HB3 ASP 24 2HB ASP 24 -9.470 -0.655 6.027
148 H ASN 25 H ASN 25 -9.943 -0.932 1.954
149 HA ASN 25 HA ASN 25 -7.468 -0.064 1.187
150 HB2 ASN 25 1HB ASN 25 -9.958 1.529 0.586
151 HB3 ASN 25 2HB ASN 25 -8.536 1.309 -0.430
152 HD21 ASN 25 1HD2 ASN 25 -11.652 0.348 0.103
153 HD22 ASN 25 2HD2 ASN 25 -11.640 -1.138 -0.779
154 H SER 26 H SER 26 -9.889 1.813 2.992
155 HA SER 26 HA SER 26 -8.842 4.261 3.206
156 HB2 SER 26 1HB SER 26 -10.797 3.176 4.529
157 HB3 SER 26 2HB SER 26 -9.579 2.864 5.766
158 HG SER 26 HG SER 26 -10.887 5.124 5.278
159 H SER 27 H SER 27 -7.578 1.411 4.868
160 HA SER 27 HA SER 27 -5.516 2.884 6.226
161 HB2 SER 27 1HB SER 27 -6.647 0.628 6.909
162 HB3 SER 27 2HB SER 27 -5.444 -0.093 5.840
163 HG SER 27 HG SER 27 -3.941 0.322 7.258
164 H CYS 28 H CYS 28 -5.676 0.724 3.422
165 HA CYS 28 HA CYS 28 -3.058 0.380 2.781
166 HB2 CYS 28 1HB CYS 28 -4.897 -0.556 1.460
167 HB3 CYS 28 2HB CYS 28 -5.290 1.048 0.850
168 HG CYS 28 HG CYS 28 -2.369 -0.623 0.218
169 H THR 29 H THR 29 -5.010 3.105 1.554
170 HA THR 29 HA THR 29 -2.972 4.532 0.349
171 HB THR 29 HB THR 29 -4.975 5.487 -0.170
172 HG1 THR 29 HG1 THR 29 -3.614 7.164 0.725
173 HG21 THR 29 3HG2 THR 29 -5.731 4.579 2.517
174 HG22 THR 29 1HG2 THR 29 -6.667 4.600 1.024
175 HG23 THR 29 2HG2 THR 29 -6.526 6.064 1.998
176 H GLN 30 H GLN 30 -4.399 5.573 3.441
177 HA GLN 30 HA GLN 30 -2.633 7.365 4.316
178 HB2 GLN 30 1HB GLN 30 -4.017 5.177 5.832
179 HB3 GLN 30 2HB GLN 30 -2.946 6.293 6.669
180 HG2 GLN 30 1HG GLN 30 -4.390 8.113 5.484
181 HG3 GLN 30 2HG GLN 30 -5.568 6.808 5.356
182 HE21 GLN 30 1HE2 GLN 30 -7.047 7.596 6.770
183 HE22 GLN 30 2HE2 GLN 30 -6.755 7.788 8.462
184 H HIS 31 H HIS 31 -2.175 3.882 4.947
185 HA HIS 31 HA HIS 31 0.198 3.805 6.201
186 HB2 HIS 31 1HB HIS 31 -0.760 1.723 5.707
187 HB3 HIS 31 2HB HIS 31 -0.850 2.070 3.982
188 HD1 HIS 31 HD1 HIS 31 1.982 1.777 6.523
189 HD2 HIS 31 HD2 HIS 31 1.002 0.644 2.647
190 HE1 HIS 31 HE1 HIS 31 3.955 0.460 5.688
191 H GLN 32 H GLN 32 -0.155 4.160 2.680
192 HA GLN 32 HA GLN 32 2.452 4.193 1.879
193 HB2 GLN 32 1HB GLN 32 0.165 5.921 0.935
194 HB3 GLN 32 2HB GLN 32 1.719 5.848 0.116
195 HG2 GLN 32 1HG GLN 32 1.251 3.272 0.122
196 HG3 GLN 32 2HG GLN 32 -0.422 3.794 0.311
197 HE21 GLN 32 1HE2 GLN 32 -1.469 4.751 -1.380
198 HE22 GLN 32 2HE2 GLN 32 -0.806 4.858 -2.972
199 H ARG 33 H ARG 33 0.643 6.878 3.316
200 HA ARG 33 HA ARG 33 2.202 9.027 3.058
201 HB2 ARG 33 1HB ARG 33 0.934 7.976 5.582
202 HB3 ARG 33 2HB ARG 33 1.714 9.551 5.510
203 HG2 ARG 33 1HG ARG 33 0.098 10.440 4.132
204 HG3 ARG 33 2HG ARG 33 -0.398 8.861 3.520
205 HD2 ARG 33 1HD ARG 33 -2.086 9.814 5.009
206 HD3 ARG 33 2HD ARG 33 -1.406 8.329 5.672
207 HE ARG 33 HE ARG 33 0.079 10.391 6.742
208 HH11 ARG 33 1HH1 ARG 33 -3.257 9.395 6.742
209 HH12 ARG 33 2HH1 ARG 33 -3.593 10.065 8.304
210 HH21 ARG 33 1HH2 ARG 33 -0.351 11.278 8.799
211 HH22 ARG 33 2HH2 ARG 33 -1.939 11.137 9.473
212 H LEU 34 H LEU 34 2.835 6.568 5.565
213 HA LEU 34 HA LEU 34 5.239 7.625 6.493
214 HB2 LEU 34 1HB LEU 34 5.532 5.646 7.649
215 HB3 LEU 34 2HB LEU 34 3.786 5.715 7.421
216 HG LEU 34 HG LEU 34 4.219 4.204 5.372
217 HD11 LEU 34 1HD1 LEU 34 6.268 3.444 4.984
218 HD12 LEU 34 2HD1 LEU 34 6.465 2.946 6.664
219 HD13 LEU 34 3HD1 LEU 34 6.858 4.596 6.182
220 HD21 LEU 34 3HD2 LEU 34 4.121 2.206 6.786
221 HD22 LEU 34 1HD2 LEU 34 3.055 3.478 7.382
222 HD23 LEU 34 2HD2 LEU 34 4.597 3.173 8.183
223 H HIS 35 H HIS 35 4.598 5.409 3.824
224 HA HIS 35 HA HIS 35 7.291 4.786 3.241
225 HB2 HIS 35 1HB HIS 35 4.686 4.526 1.827
226 HB3 HIS 35 2HB HIS 35 6.148 4.429 0.850
227 HD1 HIS 35 HD1 HIS 35 7.751 2.939 3.251
228 HD2 HIS 35 HD2 HIS 35 4.167 1.794 1.487
229 HE1 HIS 35 HE1 HIS 35 7.560 0.465 3.659
230 H THR 36 H THR 36 5.118 7.323 2.095
231 HA THR 36 HA THR 36 5.563 9.355 1.150
232 HB THR 36 HB THR 36 8.515 8.846 1.145
233 HG1 THR 36 HG1 THR 36 6.832 9.095 3.385
234 HG21 THR 36 3HG2 THR 36 6.776 11.075 0.775
235 HG22 THR 36 1HG2 THR 36 8.535 11.022 0.669
236 HG23 THR 36 2HG2 THR 36 7.754 11.359 2.214
237 H GLY 37 H GLY 37 4.773 7.522 -0.561
238 HA2 GLY 37 1HA GLY 37 6.695 7.563 -2.799
239 HA3 GLY 37 2HA GLY 37 5.398 6.392 -2.613
240 H GLN 38 H GLN 38 3.695 8.816 -1.727
241 HA GLN 38 HA GLN 38 3.068 9.714 -4.461
242 HB2 GLN 38 1HB GLN 38 1.294 8.332 -3.575
243 HB3 GLN 38 2HB GLN 38 1.237 9.283 -2.097
244 HG2 GLN 38 1HG GLN 38 0.223 11.087 -3.145
245 HG3 GLN 38 2HG GLN 38 0.722 10.558 -4.751
246 HE21 GLN 38 1HE2 GLN 38 -0.781 9.648 -5.947
247 HE22 GLN 38 2HE2 GLN 38 -2.225 8.894 -5.372
248 H ARG 39 H ARG 39 2.179 10.833 -1.199
249 HA ARG 39 HA ARG 39 2.690 13.578 -2.054
250 HB2 ARG 39 1HB ARG 39 0.667 13.628 -0.988
251 HB3 ARG 39 2HB ARG 39 1.074 12.290 0.078
252 HG2 ARG 39 1HG ARG 39 2.558 13.830 1.345
253 HG3 ARG 39 2HG ARG 39 1.962 15.152 0.339
254 HD2 ARG 39 1HD ARG 39 -0.379 14.344 1.087
255 HD3 ARG 39 2HD ARG 39 0.497 13.509 2.370
256 HE ARG 39 HE ARG 39 1.297 16.214 2.251
257 HH11 ARG 39 1HH1 ARG 39 -1.377 14.203 3.212
258 HH12 ARG 39 2HH1 ARG 39 -1.942 15.308 4.421
259 HH21 ARG 39 1HH2 ARG 39 0.563 17.677 3.839
260 HH22 ARG 39 2HH2 ARG 39 -0.839 17.284 4.776
261 HA PRO 40 HA PRO 40 6.563 13.801 0.038
262 HB2 PRO 40 1HB PRO 40 6.733 16.499 0.285
263 HB3 PRO 40 2HB PRO 40 6.974 15.658 -1.251
264 HG2 PRO 40 1HG PRO 40 4.541 17.070 -0.225
265 HG3 PRO 40 2HG PRO 40 5.256 17.108 -1.847
266 HD2 PRO 40 1HD PRO 40 3.101 15.585 -1.241
267 HD3 PRO 40 2HD PRO 40 4.305 15.097 -2.451
268 H SER 41 H SER 41 6.213 12.901 2.055
269 HA SER 41 HA SER 41 5.456 14.805 4.170
270 HB2 SER 41 1HB SER 41 4.665 11.895 3.933
271 HB3 SER 41 2HB SER 41 4.475 12.842 5.408
272 HG SER 41 HG SER 41 2.578 13.143 4.446
273 H GLY 42 H GLY 42 7.757 15.171 4.357
274 HA2 GLY 42 1HA GLY 42 9.018 13.116 6.040
275 HA3 GLY 42 2HA GLY 42 9.908 13.759 4.667
276 HA PRO 43 HA PRO 43 10.380 16.387 8.615
277 HB2 PRO 43 1HB PRO 43 12.867 15.579 9.343
278 HB3 PRO 43 2HB PRO 43 11.394 14.805 9.939
279 HG2 PRO 43 1HG PRO 43 13.226 13.945 7.733
280 HG3 PRO 43 2HG PRO 43 12.466 12.967 9.002
281 HD2 PRO 43 1HD PRO 43 11.501 13.076 6.475
282 HD3 PRO 43 2HD PRO 43 10.451 12.860 7.889
283 H SER 44 H SER 44 12.502 17.757 9.065
284 HA SER 44 HA SER 44 13.347 18.790 6.447
285 HB2 SER 44 1HB SER 44 13.906 20.877 7.732
286 HB3 SER 44 2HB SER 44 12.195 20.451 7.757
287 HG SER 44 HG SER 44 13.912 19.566 9.804
288 H SER 45 H SER 45 15.094 17.444 6.052
289 HA SER 45 HA SER 45 17.493 18.092 7.571
290 HB2 SER 45 1HB SER 45 16.833 16.103 8.718
291 HB3 SER 45 2HB SER 45 16.448 15.281 7.207
292 HG SER 45 HG SER 45 18.698 15.162 8.479
293 H GLY 46 H GLY 46 19.155 18.454 6.246
294 HA2 GLY 46 1HA GLY 46 19.738 16.935 3.936
295 HA3 GLY 46 2HA GLY 46 18.913 18.413 3.466
Start of MODEL 18
1 H1 GLY 1 H GLY 1 5.389 -36.796 -5.711
2 HA2 GLY 1 1HA GLY 1 6.446 -35.503 -3.293
3 HA3 GLY 1 2HA GLY 1 7.393 -35.432 -4.772
4 H SER 2 H SER 2 3.927 -35.035 -4.038
5 HA SER 2 HA SER 2 3.265 -33.231 -5.963
6 HB2 SER 2 1HB SER 2 1.504 -32.395 -4.411
7 HB3 SER 2 2HB SER 2 1.596 -34.155 -4.462
8 HG SER 2 HG SER 2 3.177 -33.631 -2.563
9 H SER 3 H SER 3 3.783 -31.207 -6.472
10 HA SER 3 HA SER 3 5.533 -29.720 -4.677
11 HB2 SER 3 1HB SER 3 4.858 -29.543 -7.593
12 HB3 SER 3 2HB SER 3 5.554 -28.143 -6.776
13 HG SER 3 HG SER 3 7.244 -29.639 -6.066
14 H GLY 4 H GLY 4 5.096 -27.683 -3.876
15 HA2 GLY 4 1HA GLY 4 2.250 -26.930 -3.936
16 HA3 GLY 4 2HA GLY 4 3.388 -26.507 -2.665
17 H SER 5 H SER 5 1.692 -25.299 -5.201
18 HA SER 5 HA SER 5 3.568 -23.559 -6.419
19 HB2 SER 5 1HB SER 5 1.226 -24.254 -7.256
20 HB3 SER 5 2HB SER 5 0.621 -22.970 -6.209
21 HG SER 5 HG SER 5 1.096 -21.682 -7.789
22 H SER 6 H SER 6 4.432 -21.723 -5.716
23 HA SER 6 HA SER 6 3.522 -20.626 -3.172
24 HB2 SER 6 1HB SER 6 6.006 -20.215 -4.834
25 HB3 SER 6 2HB SER 6 5.633 -19.202 -3.440
26 HG SER 6 HG SER 6 5.332 -21.527 -2.480
27 H GLY 7 H GLY 7 3.010 -18.431 -2.867
28 HA2 GLY 7 1HA GLY 7 1.520 -17.261 -4.993
29 HA3 GLY 7 2HA GLY 7 1.835 -16.533 -3.425
30 H THR 8 H THR 8 2.918 -16.848 -6.718
31 HA THR 8 HA THR 8 5.132 -14.997 -6.275
32 HB THR 8 HB THR 8 5.667 -16.854 -7.703
33 HG1 THR 8 HG1 THR 8 5.299 -14.460 -9.210
34 HG21 THR 8 3HG2 THR 8 4.223 -16.518 -10.048
35 HG22 THR 8 1HG2 THR 8 3.017 -16.345 -8.774
36 HG23 THR 8 2HG2 THR 8 4.005 -17.803 -8.860
37 H GLY 9 H GLY 9 1.868 -14.866 -7.040
38 HA2 GLY 9 1HA GLY 9 1.968 -12.656 -8.885
39 HA3 GLY 9 2HA GLY 9 0.531 -13.305 -8.107
40 H GLU 10 H GLU 10 0.285 -10.796 -8.175
41 HA GLU 10 HA GLU 10 1.120 -9.812 -5.533
42 HB2 GLU 10 1HB GLU 10 2.404 -8.818 -7.538
43 HB3 GLU 10 2HB GLU 10 0.903 -7.982 -7.910
44 HG2 GLU 10 1HG GLU 10 2.466 -6.595 -6.630
45 HG3 GLU 10 2HG GLU 10 0.944 -6.859 -5.781
46 H LYS 11 H LYS 11 -0.474 -8.972 -4.333
47 HA LYS 11 HA LYS 11 -3.161 -8.978 -5.420
48 HB2 LYS 11 1HB LYS 11 -2.173 -8.396 -2.621
49 HB3 LYS 11 2HB LYS 11 -3.858 -8.574 -3.091
50 HG2 LYS 11 1HG LYS 11 -1.795 -10.741 -3.403
51 HG3 LYS 11 2HG LYS 11 -2.858 -10.579 -2.004
52 HD2 LYS 11 1HD LYS 11 -3.984 -10.691 -4.779
53 HD3 LYS 11 2HD LYS 11 -3.547 -12.172 -3.923
54 HE2 LYS 11 1HE LYS 11 -5.423 -10.062 -2.863
55 HE3 LYS 11 2HE LYS 11 -5.935 -11.543 -3.670
56 HZ1 LYS 11 3HZ LYS 11 -5.817 -12.573 -1.730
57 HZ2 LYS 11 1HZ LYS 11 -5.263 -11.167 -0.969
58 HZ3 LYS 11 2HZ LYS 11 -4.158 -12.255 -1.644
59 HA PRO 12 HA PRO 12 -3.563 -4.659 -6.105
60 HB2 PRO 12 1HB PRO 12 -6.191 -4.293 -5.531
61 HB3 PRO 12 2HB PRO 12 -5.632 -5.119 -6.991
62 HG2 PRO 12 1HG PRO 12 -6.620 -6.283 -4.416
63 HG3 PRO 12 2HG PRO 12 -6.985 -6.776 -6.080
64 HD2 PRO 12 1HD PRO 12 -5.183 -8.081 -4.536
65 HD3 PRO 12 2HD PRO 12 -5.014 -7.949 -6.299
66 H TYR 13 H TYR 13 -5.062 -5.822 -3.096
67 HA TYR 13 HA TYR 13 -4.675 -3.218 -1.850
68 HB2 TYR 13 1HB TYR 13 -5.742 -4.522 0.144
69 HB3 TYR 13 2HB TYR 13 -6.746 -4.063 -1.227
70 HD1 TYR 13 HD1 TYR 13 -4.361 -6.899 -0.761
71 HD2 TYR 13 HD2 TYR 13 -8.376 -5.688 -1.478
72 HE1 TYR 13 HE1 TYR 13 -5.009 -9.251 -1.067
73 HE2 TYR 13 HE2 TYR 13 -9.036 -8.037 -1.785
74 HH TYR 13 HH TYR 13 -8.354 -10.208 -1.387
75 H LYS 14 H LYS 14 -2.290 -4.471 -2.541
76 HA LYS 14 HA LYS 14 -1.172 -5.044 0.120
77 HB2 LYS 14 1HB LYS 14 -1.363 -7.106 -1.304
78 HB3 LYS 14 2HB LYS 14 -0.255 -6.353 -2.444
79 HG2 LYS 14 1HG LYS 14 1.229 -7.582 -1.249
80 HG3 LYS 14 2HG LYS 14 1.238 -6.112 -0.273
81 HD2 LYS 14 1HD LYS 14 -0.128 -7.062 1.375
82 HD3 LYS 14 2HD LYS 14 -0.657 -8.367 0.310
83 HE2 LYS 14 1HE LYS 14 0.872 -9.331 1.837
84 HE3 LYS 14 2HE LYS 14 1.734 -9.171 0.307
85 HZ1 LYS 14 3HZ LYS 14 3.262 -7.956 1.320
86 HZ2 LYS 14 1HZ LYS 14 2.463 -8.157 2.797
87 HZ3 LYS 14 2HZ LYS 14 2.102 -6.829 1.814
88 H CYS 15 H CYS 15 0.443 -3.740 0.679
89 HA CYS 15 HA CYS 15 1.261 -1.545 -0.770
90 HB2 CYS 15 1HB CYS 15 1.638 -2.113 1.717
91 HB3 CYS 15 2HB CYS 15 3.104 -2.921 1.171
92 H MET 16 H MET 16 2.845 -1.085 -2.219
93 HA MET 16 HA MET 16 4.191 -3.379 -3.436
94 HB2 MET 16 1HB MET 16 2.808 -1.673 -4.763
95 HB3 MET 16 2HB MET 16 4.154 -0.568 -4.515
96 HG2 MET 16 1HG MET 16 4.577 -3.279 -5.709
97 HG3 MET 16 2HG MET 16 4.050 -1.915 -6.692
98 HE1 MET 16 3HE MET 16 7.767 -3.441 -5.419
99 HE2 MET 16 1HE MET 16 6.396 -3.982 -6.389
100 HE3 MET 16 2HE MET 16 7.727 -3.110 -7.151
101 H GLU 17 H GLU 17 4.827 -0.479 -1.640
102 HA GLU 17 HA GLU 17 7.589 -0.243 -2.252
103 HB2 GLU 17 1HB GLU 17 6.366 1.643 -1.349
104 HB3 GLU 17 2HB GLU 17 5.990 0.743 0.114
105 HG2 GLU 17 1HG GLU 17 7.766 2.347 0.505
106 HG3 GLU 17 2HG GLU 17 8.348 0.695 0.709
107 H CYS 18 H CYS 18 6.160 -1.140 0.887
108 HA CYS 18 HA CYS 18 8.538 -2.723 1.476
109 HB2 CYS 18 1HB CYS 18 7.777 -2.741 3.760
110 HB3 CYS 18 2HB CYS 18 7.632 -1.097 3.147
111 H GLY 19 H GLY 19 5.007 -3.109 1.348
112 HA2 GLY 19 1HA GLY 19 4.001 -5.056 0.387
113 HA3 GLY 19 2HA GLY 19 5.434 -5.972 0.831
114 H LYS 20 H LYS 20 2.405 -4.658 1.933
115 HA LYS 20 HA LYS 20 2.424 -6.549 4.150
116 HB2 LYS 20 1HB LYS 20 2.327 -3.576 4.440
117 HB3 LYS 20 2HB LYS 20 1.381 -4.564 5.545
118 HG2 LYS 20 1HG LYS 20 3.325 -5.653 6.367
119 HG3 LYS 20 2HG LYS 20 4.330 -4.948 5.099
120 HD2 LYS 20 1HD LYS 20 4.203 -2.799 6.048
121 HD3 LYS 20 2HD LYS 20 2.848 -3.248 7.087
122 HE2 LYS 20 1HE LYS 20 5.564 -4.516 7.330
123 HE3 LYS 20 2HE LYS 20 5.130 -3.041 8.192
124 HZ1 LYS 20 3HZ LYS 20 3.584 -4.147 9.478
125 HZ2 LYS 20 1HZ LYS 20 4.818 -5.297 9.351
126 HZ3 LYS 20 2HZ LYS 20 3.429 -5.438 8.396
127 H ALA 21 H ALA 21 0.320 -7.010 4.988
128 HA ALA 21 HA ALA 21 -1.784 -6.526 3.014
129 HB1 ALA 21 3HB ALA 21 -2.961 -8.311 4.503
130 HB2 ALA 21 1HB ALA 21 -1.683 -8.797 3.389
131 HB3 ALA 21 2HB ALA 21 -1.331 -8.606 5.108
132 H PHE 22 H PHE 22 -3.787 -5.674 3.538
133 HA PHE 22 HA PHE 22 -4.233 -4.730 6.263
134 HB2 PHE 22 1HB PHE 22 -4.087 -2.942 3.836
135 HB3 PHE 22 2HB PHE 22 -4.902 -2.464 5.322
136 HD1 PHE 22 HD1 PHE 22 -1.628 -3.546 3.962
137 HD2 PHE 22 HD2 PHE 22 -3.700 -1.554 7.101
138 HE1 PHE 22 HE1 PHE 22 0.518 -2.767 4.880
139 HE2 PHE 22 HE2 PHE 22 -1.558 -0.772 8.024
140 HZ PHE 22 HZ PHE 22 0.555 -1.378 6.913
141 H GLY 23 H GLY 23 -6.368 -4.595 6.835
142 HA2 GLY 23 1HA GLY 23 -8.276 -6.161 5.768
143 HA3 GLY 23 2HA GLY 23 -8.673 -4.663 6.597
144 H ASP 24 H ASP 24 -8.619 -2.669 5.230
145 HA ASP 24 HA ASP 24 -9.569 -3.285 2.509
146 HB2 ASP 24 1HB ASP 24 -10.926 -1.148 2.762
147 HB3 ASP 24 2HB ASP 24 -11.454 -2.522 3.729
148 H ASN 25 H ASN 25 -8.895 -1.993 0.824
149 HA ASN 25 HA ASN 25 -6.359 -0.941 0.849
150 HB2 ASN 25 1HB ASN 25 -7.110 -1.264 -1.297
151 HB3 ASN 25 2HB ASN 25 -8.711 -0.618 -0.949
152 HD21 ASN 25 1HD2 ASN 25 -5.325 0.371 -1.229
153 HD22 ASN 25 2HD2 ASN 25 -5.655 1.920 -1.921
154 H SER 26 H SER 26 -9.420 0.788 1.308
155 HA SER 26 HA SER 26 -8.759 3.383 1.315
156 HB2 SER 26 1HB SER 26 -10.343 3.718 3.221
157 HB3 SER 26 2HB SER 26 -10.982 2.671 1.954
158 HG SER 26 HG SER 26 -9.929 0.964 3.447
159 H SER 27 H SER 27 -8.039 1.157 3.985
160 HA SER 27 HA SER 27 -6.814 3.047 5.670
161 HB2 SER 27 1HB SER 27 -6.490 0.048 5.466
162 HB3 SER 27 2HB SER 27 -5.746 1.020 6.735
163 HG SER 27 HG SER 27 -8.143 0.018 6.758
164 H CYS 28 H CYS 28 -5.432 0.784 3.305
165 HA CYS 28 HA CYS 28 -2.763 1.154 3.641
166 HB2 CYS 28 1HB CYS 28 -3.844 -0.305 1.919
167 HB3 CYS 28 2HB CYS 28 -4.118 1.130 0.939
168 HG CYS 28 HG CYS 28 -0.999 1.288 1.581
169 H THR 29 H THR 29 -4.970 3.323 1.923
170 HA THR 29 HA THR 29 -3.441 5.124 0.693
171 HB THR 29 HB THR 29 -5.972 5.253 1.324
172 HG1 THR 29 HG1 THR 29 -5.659 7.717 1.045
173 HG21 THR 29 3HG2 THR 29 -4.899 7.250 3.304
174 HG22 THR 29 1HG2 THR 29 -5.385 5.621 3.774
175 HG23 THR 29 2HG2 THR 29 -6.567 6.726 3.072
176 H GLN 30 H GLN 30 -3.707 4.841 4.202
177 HA GLN 30 HA GLN 30 -1.911 7.069 4.643
178 HB2 GLN 30 1HB GLN 30 -3.471 6.992 6.342
179 HB3 GLN 30 2HB GLN 30 -3.501 5.234 6.379
180 HG2 GLN 30 1HG GLN 30 -2.494 5.983 8.391
181 HG3 GLN 30 2HG GLN 30 -1.224 5.287 7.386
182 HE21 GLN 30 1HE2 GLN 30 0.415 6.417 8.380
183 HE22 GLN 30 2HE2 GLN 30 0.629 8.120 8.187
184 H HIS 31 H HIS 31 -1.851 3.544 4.953
185 HA HIS 31 HA HIS 31 0.621 3.202 6.143
186 HB2 HIS 31 1HB HIS 31 -0.795 1.303 5.826
187 HB3 HIS 31 2HB HIS 31 -0.803 1.521 4.078
188 HD1 HIS 31 HD1 HIS 31 1.660 0.657 6.840
189 HD2 HIS 31 HD2 HIS 31 1.058 0.038 2.775
190 HE1 HIS 31 HE1 HIS 31 3.466 -0.942 6.128
191 H GLN 32 H GLN 32 -0.130 4.296 2.961
192 HA GLN 32 HA GLN 32 2.420 3.694 1.798
193 HB2 GLN 32 1HB GLN 32 0.133 4.106 0.625
194 HB3 GLN 32 2HB GLN 32 0.562 5.807 0.755
195 HG2 GLN 32 1HG GLN 32 2.600 5.406 -0.510
196 HG3 GLN 32 2HG GLN 32 2.206 3.691 -0.616
197 HE21 GLN 32 1HE2 GLN 32 2.241 3.821 -2.881
198 HE22 GLN 32 2HE2 GLN 32 0.935 4.529 -3.763
199 H ARG 33 H ARG 33 0.988 6.420 3.467
200 HA ARG 33 HA ARG 33 2.970 8.330 2.798
201 HB2 ARG 33 1HB ARG 33 0.574 8.560 3.919
202 HB3 ARG 33 2HB ARG 33 1.521 8.496 5.399
203 HG2 ARG 33 1HG ARG 33 1.526 10.736 5.085
204 HG3 ARG 33 2HG ARG 33 2.940 10.334 4.108
205 HD2 ARG 33 1HD ARG 33 0.199 10.407 2.899
206 HD3 ARG 33 2HD ARG 33 1.132 11.887 3.112
207 HE ARG 33 HE ARG 33 2.702 9.931 1.815
208 HH11 ARG 33 1HH1 ARG 33 0.021 12.081 1.259
209 HH12 ARG 33 2HH1 ARG 33 0.321 12.226 -0.442
210 HH21 ARG 33 1HH2 ARG 33 3.106 10.113 -0.422
211 HH22 ARG 33 2HH2 ARG 33 2.075 11.105 -1.397
212 H LEU 34 H LEU 34 3.075 5.598 4.762
213 HA LEU 34 HA LEU 34 4.900 6.553 6.749
214 HB2 LEU 34 1HB LEU 34 4.058 3.804 5.870
215 HB3 LEU 34 2HB LEU 34 5.256 4.069 7.135
216 HG LEU 34 HG LEU 34 3.526 5.310 8.428
217 HD11 LEU 34 1HD1 LEU 34 1.130 4.539 7.548
218 HD12 LEU 34 2HD1 LEU 34 1.957 4.688 5.998
219 HD13 LEU 34 3HD1 LEU 34 1.869 6.072 7.087
220 HD21 LEU 34 3HD2 LEU 34 3.672 2.477 7.893
221 HD22 LEU 34 1HD2 LEU 34 2.047 2.952 8.386
222 HD23 LEU 34 2HD2 LEU 34 3.426 3.324 9.421
223 H HIS 35 H HIS 35 5.185 5.434 3.511
224 HA HIS 35 HA HIS 35 8.104 5.193 3.816
225 HB2 HIS 35 1HB HIS 35 6.714 4.232 1.357
226 HB3 HIS 35 2HB HIS 35 8.159 3.605 2.146
227 HD1 HIS 35 HD1 HIS 35 7.822 1.900 4.055
228 HD2 HIS 35 HD2 HIS 35 4.287 3.201 2.302
229 HE1 HIS 35 HE1 HIS 35 6.044 0.324 4.878
230 H THR 36 H THR 36 6.223 7.578 3.327
231 HA THR 36 HA THR 36 7.401 8.542 0.812
232 HB THR 36 HB THR 36 5.692 10.321 0.883
233 HG1 THR 36 HG1 THR 36 4.346 10.514 2.553
234 HG21 THR 36 3HG2 THR 36 3.661 8.709 0.732
235 HG22 THR 36 1HG2 THR 36 4.865 7.443 0.965
236 HG23 THR 36 2HG2 THR 36 4.986 8.530 -0.418
237 H GLY 37 H GLY 37 7.026 9.304 4.234
238 HA2 GLY 37 1HA GLY 37 8.629 10.435 5.532
239 HA3 GLY 37 2HA GLY 37 9.360 11.047 4.055
240 H GLN 38 H GLN 38 8.365 12.836 2.981
241 HA GLN 38 HA GLN 38 7.575 14.898 4.677
242 HB2 GLN 38 1HB GLN 38 7.027 16.149 2.651
243 HB3 GLN 38 2HB GLN 38 8.543 15.280 2.458
244 HG2 GLN 38 1HG GLN 38 7.234 13.483 1.281
245 HG3 GLN 38 2HG GLN 38 5.864 14.591 1.290
246 HE21 GLN 38 1HE2 GLN 38 7.147 13.518 -1.007
247 HE22 GLN 38 2HE2 GLN 38 7.813 14.841 -1.897
248 H ARG 39 H ARG 39 5.594 15.917 5.060
249 HA ARG 39 HA ARG 39 3.172 14.524 4.191
250 HB2 ARG 39 1HB ARG 39 2.266 14.594 6.499
251 HB3 ARG 39 2HB ARG 39 3.656 13.530 6.339
252 HG2 ARG 39 1HG ARG 39 4.961 15.692 7.102
253 HG3 ARG 39 2HG ARG 39 3.390 16.101 7.795
254 HD2 ARG 39 1HD ARG 39 3.394 14.247 9.206
255 HD3 ARG 39 2HD ARG 39 4.615 13.406 8.251
256 HE ARG 39 HE ARG 39 5.570 15.840 9.433
257 HH11 ARG 39 1HH1 ARG 39 5.019 12.442 9.950
258 HH12 ARG 39 2HH1 ARG 39 6.222 12.303 11.190
259 HH21 ARG 39 1HH2 ARG 39 7.156 15.670 11.063
260 HH22 ARG 39 2HH2 ARG 39 7.436 14.140 11.823
261 HA PRO 40 HA PRO 40 1.663 18.616 3.620
262 HB2 PRO 40 1HB PRO 40 -1.006 18.131 3.719
263 HB3 PRO 40 2HB PRO 40 0.004 17.670 2.343
264 HG2 PRO 40 1HG PRO 40 -0.973 15.992 4.622
265 HG3 PRO 40 2HG PRO 40 -0.900 15.599 2.894
266 HD2 PRO 40 1HD PRO 40 0.947 14.719 4.667
267 HD3 PRO 40 2HD PRO 40 1.346 15.087 2.977
268 H SER 41 H SER 41 1.337 16.904 6.501
269 HA SER 41 HA SER 41 0.810 19.329 7.979
270 HB2 SER 41 1HB SER 41 -1.133 18.527 9.173
271 HB3 SER 41 2HB SER 41 -1.470 18.440 7.444
272 HG SER 41 HG SER 41 -1.462 16.466 9.264
273 H GLY 42 H GLY 42 2.020 19.338 9.761
274 HA2 GLY 42 1HA GLY 42 2.477 17.938 11.836
275 HA3 GLY 42 2HA GLY 42 3.095 16.753 10.695
276 HA PRO 43 HA PRO 43 6.157 20.493 10.503
277 HB2 PRO 43 1HB PRO 43 5.801 22.453 12.347
278 HB3 PRO 43 2HB PRO 43 5.039 22.484 10.752
279 HG2 PRO 43 1HG PRO 43 3.885 21.657 13.388
280 HG3 PRO 43 2HG PRO 43 3.154 22.640 12.106
281 HD2 PRO 43 1HD PRO 43 2.576 20.016 12.438
282 HD3 PRO 43 2HD PRO 43 2.585 20.797 10.844
283 H SER 44 H SER 44 7.322 18.666 11.390
284 HA SER 44 HA SER 44 7.626 17.908 13.988
285 HB2 SER 44 1HB SER 44 8.781 16.964 11.912
286 HB3 SER 44 2HB SER 44 10.009 18.206 12.160
287 HG SER 44 HG SER 44 9.360 15.994 13.772
288 H SER 45 H SER 45 9.375 20.547 12.374
289 HA SER 45 HA SER 45 11.154 21.405 14.168
290 HB2 SER 45 1HB SER 45 9.179 23.024 12.572
291 HB3 SER 45 2HB SER 45 10.396 23.804 13.582
292 HG SER 45 HG SER 45 11.908 22.341 12.364
293 H GLY 46 H GLY 46 7.663 21.997 14.444
294 HA2 GLY 46 1HA GLY 46 6.914 21.664 16.855
295 HA3 GLY 46 2HA GLY 46 8.115 22.894 17.219
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -4.498 -25.619 1.980
2 HA2 GLY 1 1HA GLY 1 -4.491 -28.042 1.372
3 HA3 GLY 1 2HA GLY 1 -4.857 -28.346 3.064
4 H SER 2 H SER 2 -6.919 -28.679 3.541
5 HA SER 2 HA SER 2 -8.946 -27.894 1.573
6 HB2 SER 2 1HB SER 2 -9.022 -29.918 3.821
7 HB3 SER 2 2HB SER 2 -10.403 -29.527 2.796
8 HG SER 2 HG SER 2 -9.554 -30.647 1.220
9 H SER 3 H SER 3 -9.046 -25.694 2.227
10 HA SER 3 HA SER 3 -10.699 -25.305 4.615
11 HB2 SER 3 1HB SER 3 -8.122 -23.880 3.980
12 HB3 SER 3 2HB SER 3 -9.356 -23.133 4.995
13 HG SER 3 HG SER 3 -8.233 -24.199 6.466
14 H GLY 4 H GLY 4 -12.386 -23.983 4.286
15 HA2 GLY 4 1HA GLY 4 -12.367 -22.338 1.831
16 HA3 GLY 4 2HA GLY 4 -13.779 -23.248 2.346
17 H SER 5 H SER 5 -11.718 -20.499 3.056
18 HA SER 5 HA SER 5 -13.757 -19.488 4.921
19 HB2 SER 5 1HB SER 5 -10.832 -18.785 4.608
20 HB3 SER 5 2HB SER 5 -11.941 -17.901 5.655
21 HG SER 5 HG SER 5 -12.074 -19.597 6.983
22 H SER 6 H SER 6 -15.205 -18.524 3.560
23 HA SER 6 HA SER 6 -14.182 -16.493 1.698
24 HB2 SER 6 1HB SER 6 -15.795 -18.420 0.989
25 HB3 SER 6 2HB SER 6 -17.037 -17.424 1.748
26 HG SER 6 HG SER 6 -15.267 -16.261 -0.093
27 H GLY 7 H GLY 7 -14.118 -15.807 4.370
28 HA2 GLY 7 1HA GLY 7 -16.317 -13.839 4.532
29 HA3 GLY 7 2HA GLY 7 -15.699 -14.671 5.951
30 H THR 8 H THR 8 -12.961 -14.365 4.465
31 HA THR 8 HA THR 8 -12.333 -11.823 5.753
32 HB THR 8 HB THR 8 -9.949 -12.480 5.282
33 HG1 THR 8 HG1 THR 8 -10.990 -15.050 4.695
34 HG21 THR 8 3HG2 THR 8 -10.119 -14.561 6.874
35 HG22 THR 8 1HG2 THR 8 -11.812 -14.080 6.982
36 HG23 THR 8 2HG2 THR 8 -10.542 -12.952 7.459
37 H GLY 9 H GLY 9 -10.878 -10.292 4.662
38 HA2 GLY 9 1HA GLY 9 -11.890 -9.523 2.141
39 HA3 GLY 9 2HA GLY 9 -10.481 -8.834 2.934
40 H GLU 10 H GLU 10 -10.847 -9.373 0.115
41 HA GLU 10 HA GLU 10 -8.413 -10.897 -0.308
42 HB2 GLU 10 1HB GLU 10 -9.399 -12.349 -2.015
43 HB3 GLU 10 2HB GLU 10 -10.144 -12.619 -0.445
44 HG2 GLU 10 1HG GLU 10 -12.002 -11.103 -1.173
45 HG3 GLU 10 2HG GLU 10 -11.290 -11.123 -2.786
46 H LYS 11 H LYS 11 -7.196 -9.662 -1.558
47 HA LYS 11 HA LYS 11 -8.002 -8.715 -4.087
48 HB2 LYS 11 1HB LYS 11 -8.046 -6.326 -3.719
49 HB3 LYS 11 2HB LYS 11 -9.255 -7.089 -2.694
50 HG2 LYS 11 1HG LYS 11 -7.775 -6.901 -0.776
51 HG3 LYS 11 2HG LYS 11 -6.526 -6.182 -1.796
52 HD2 LYS 11 1HD LYS 11 -8.145 -4.349 -2.337
53 HD3 LYS 11 2HD LYS 11 -9.232 -5.031 -1.124
54 HE2 LYS 11 1HE LYS 11 -7.728 -4.568 0.629
55 HE3 LYS 11 2HE LYS 11 -6.395 -4.269 -0.486
56 HZ1 LYS 11 3HZ LYS 11 -8.818 -2.571 -0.220
57 HZ2 LYS 11 1HZ LYS 11 -7.505 -2.276 -1.246
58 HZ3 LYS 11 2HZ LYS 11 -7.298 -2.214 0.432
59 HA PRO 12 HA PRO 12 -3.618 -8.720 -4.482
60 HB2 PRO 12 1HB PRO 12 -3.390 -7.321 -6.798
61 HB3 PRO 12 2HB PRO 12 -3.971 -8.989 -6.737
62 HG2 PRO 12 1HG PRO 12 -5.536 -6.444 -6.928
63 HG3 PRO 12 2HG PRO 12 -5.772 -7.971 -7.798
64 HD2 PRO 12 1HD PRO 12 -7.268 -7.270 -5.653
65 HD3 PRO 12 2HD PRO 12 -6.864 -8.958 -6.025
66 H TYR 13 H TYR 13 -5.393 -6.061 -3.636
67 HA TYR 13 HA TYR 13 -3.514 -3.965 -4.043
68 HB2 TYR 13 1HB TYR 13 -6.045 -4.308 -2.518
69 HB3 TYR 13 2HB TYR 13 -4.982 -2.993 -2.030
70 HD1 TYR 13 HD1 TYR 13 -6.637 -4.428 -5.048
71 HD2 TYR 13 HD2 TYR 13 -5.101 -0.952 -3.135
72 HE1 TYR 13 HE1 TYR 13 -7.532 -3.038 -6.869
73 HE2 TYR 13 HE2 TYR 13 -5.992 0.448 -4.950
74 HH TYR 13 HH TYR 13 -8.072 0.066 -6.717
75 H LYS 14 H LYS 14 -1.546 -4.899 -3.290
76 HA LYS 14 HA LYS 14 -1.290 -4.819 -0.357
77 HB2 LYS 14 1HB LYS 14 -1.131 -7.137 -1.516
78 HB3 LYS 14 2HB LYS 14 0.444 -6.579 -2.065
79 HG2 LYS 14 1HG LYS 14 1.300 -6.483 0.102
80 HG3 LYS 14 2HG LYS 14 -0.306 -6.507 0.834
81 HD2 LYS 14 1HD LYS 14 -0.554 -8.777 0.536
82 HD3 LYS 14 2HD LYS 14 0.567 -8.828 -0.826
83 HE2 LYS 14 1HE LYS 14 1.483 -8.193 1.963
84 HE3 LYS 14 2HE LYS 14 1.334 -9.854 1.390
85 HZ1 LYS 14 3HZ LYS 14 3.521 -9.342 0.932
86 HZ2 LYS 14 1HZ LYS 14 3.182 -7.745 0.488
87 HZ3 LYS 14 2HZ LYS 14 2.777 -9.015 -0.552
88 H CYS 15 H CYS 15 0.154 -3.403 0.372
89 HA CYS 15 HA CYS 15 1.481 -1.571 -1.210
90 HB2 CYS 15 1HB CYS 15 1.122 -1.169 1.149
91 HB3 CYS 15 2HB CYS 15 2.165 -2.521 1.578
92 H MET 16 H MET 16 2.823 -2.157 -2.810
93 HA MET 16 HA MET 16 4.565 -4.387 -2.708
94 HB2 MET 16 1HB MET 16 4.241 -2.048 -4.552
95 HB3 MET 16 2HB MET 16 5.642 -3.099 -4.718
96 HG2 MET 16 1HG MET 16 4.179 -5.018 -5.035
97 HG3 MET 16 2HG MET 16 2.768 -3.981 -4.840
98 HE1 MET 16 3HE MET 16 1.690 -4.719 -6.844
99 HE2 MET 16 1HE MET 16 1.540 -2.977 -7.077
100 HE3 MET 16 2HE MET 16 1.988 -4.012 -8.432
101 H GLU 17 H GLU 17 4.887 -1.052 -1.777
102 HA GLU 17 HA GLU 17 7.572 -0.582 -1.820
103 HB2 GLU 17 1HB GLU 17 5.532 0.778 -0.814
104 HB3 GLU 17 2HB GLU 17 6.124 0.101 0.697
105 HG2 GLU 17 1HG GLU 17 6.970 2.400 0.035
106 HG3 GLU 17 2HG GLU 17 8.171 1.208 0.531
107 H CYS 18 H CYS 18 5.894 -1.974 1.007
108 HA CYS 18 HA CYS 18 8.442 -3.208 1.804
109 HB2 CYS 18 1HB CYS 18 7.468 -3.365 4.058
110 HB3 CYS 18 2HB CYS 18 7.474 -1.704 3.473
111 H GLY 19 H GLY 19 4.994 -3.859 1.351
112 HA2 GLY 19 1HA GLY 19 4.304 -5.930 0.324
113 HA3 GLY 19 2HA GLY 19 5.669 -6.717 1.103
114 H LYS 20 H LYS 20 3.050 -4.620 2.304
115 HA LYS 20 HA LYS 20 2.483 -6.678 4.333
116 HB2 LYS 20 1HB LYS 20 3.272 -4.232 4.921
117 HB3 LYS 20 2HB LYS 20 1.581 -3.842 4.634
118 HG2 LYS 20 1HG LYS 20 0.887 -5.384 6.351
119 HG3 LYS 20 2HG LYS 20 2.552 -5.921 6.584
120 HD2 LYS 20 1HD LYS 20 3.188 -3.714 7.358
121 HD3 LYS 20 2HD LYS 20 1.563 -3.105 7.034
122 HE2 LYS 20 1HE LYS 20 1.682 -3.521 9.365
123 HE3 LYS 20 2HE LYS 20 0.715 -4.820 8.669
124 HZ1 LYS 20 3HZ LYS 20 3.603 -5.025 9.331
125 HZ2 LYS 20 1HZ LYS 20 2.616 -6.272 8.753
126 HZ3 LYS 20 2HZ LYS 20 2.345 -5.623 10.291
127 H ALA 21 H ALA 21 0.454 -7.469 4.549
128 HA ALA 21 HA ALA 21 -1.449 -6.815 2.456
129 HB1 ALA 21 3HB ALA 21 -2.415 -8.748 4.357
130 HB2 ALA 21 1HB ALA 21 -2.064 -8.941 2.640
131 HB3 ALA 21 2HB ALA 21 -0.781 -9.150 3.832
132 H PHE 22 H PHE 22 -3.352 -5.778 2.721
133 HA PHE 22 HA PHE 22 -4.096 -4.971 5.454
134 HB2 PHE 22 1HB PHE 22 -4.358 -3.281 2.959
135 HB3 PHE 22 2HB PHE 22 -4.804 -2.802 4.594
136 HD1 PHE 22 HD1 PHE 22 -2.043 -3.387 2.275
137 HD2 PHE 22 HD2 PHE 22 -3.120 -2.214 6.222
138 HE1 PHE 22 HE1 PHE 22 0.228 -2.510 2.630
139 HE2 PHE 22 HE2 PHE 22 -0.850 -1.334 6.583
140 HZ PHE 22 HZ PHE 22 0.827 -1.481 4.785
141 H GLY 23 H GLY 23 -6.393 -4.410 5.712
142 HA2 GLY 23 1HA GLY 23 -8.041 -6.256 4.141
143 HA3 GLY 23 2HA GLY 23 -8.462 -5.570 5.703
144 H ASP 24 H ASP 24 -8.111 -2.890 5.287
145 HA ASP 24 HA ASP 24 -10.153 -2.329 3.241
146 HB2 ASP 24 1HB ASP 24 -10.543 -1.880 5.790
147 HB3 ASP 24 2HB ASP 24 -9.544 -0.458 5.504
148 H ASN 25 H ASN 25 -9.812 -0.774 1.728
149 HA ASN 25 HA ASN 25 -7.279 -0.139 0.877
150 HB2 ASN 25 1HB ASN 25 -9.062 0.182 -0.648
151 HB3 ASN 25 2HB ASN 25 -9.911 1.267 0.449
152 HD21 ASN 25 1HD2 ASN 25 -9.705 3.356 0.098
153 HD22 ASN 25 2HD2 ASN 25 -8.467 4.109 -0.844
154 H SER 26 H SER 26 -9.376 1.718 3.035
155 HA SER 26 HA SER 26 -8.081 4.095 3.262
156 HB2 SER 26 1HB SER 26 -9.124 2.482 5.604
157 HB3 SER 26 2HB SER 26 -8.891 4.230 5.563
158 HG SER 26 HG SER 26 -10.712 2.705 4.010
159 H SER 27 H SER 27 -7.162 1.064 4.851
160 HA SER 27 HA SER 27 -5.056 2.027 6.401
161 HB2 SER 27 1HB SER 27 -5.752 -0.639 5.244
162 HB3 SER 27 2HB SER 27 -4.152 -0.422 5.951
163 HG SER 27 HG SER 27 -6.124 -1.095 7.309
164 H CYS 28 H CYS 28 -5.098 0.928 3.040
165 HA CYS 28 HA CYS 28 -2.297 1.135 2.635
166 HB2 CYS 28 1HB CYS 28 -4.016 -0.157 1.231
167 HB3 CYS 28 2HB CYS 28 -4.371 1.386 0.464
168 HG CYS 28 HG CYS 28 -1.358 -0.236 0.423
169 H THR 29 H THR 29 -4.968 3.222 1.522
170 HA THR 29 HA THR 29 -3.608 5.243 0.329
171 HB THR 29 HB THR 29 -5.386 6.805 1.109
172 HG1 THR 29 HG1 THR 29 -5.631 5.778 3.213
173 HG21 THR 29 3HG2 THR 29 -6.002 5.680 -0.826
174 HG22 THR 29 1HG2 THR 29 -7.329 5.294 0.269
175 HG23 THR 29 2HG2 THR 29 -6.053 4.112 -0.020
176 H GLN 30 H GLN 30 -3.969 4.733 3.801
177 HA GLN 30 HA GLN 30 -2.545 7.165 4.449
178 HB2 GLN 30 1HB GLN 30 -4.160 6.687 6.051
179 HB3 GLN 30 2HB GLN 30 -3.816 4.963 6.030
180 HG2 GLN 30 1HG GLN 30 -3.030 5.765 8.094
181 HG3 GLN 30 2HG GLN 30 -1.602 5.508 7.094
182 HE21 GLN 30 1HE2 GLN 30 -0.945 7.510 5.817
183 HE22 GLN 30 2HE2 GLN 30 -0.950 9.001 6.689
184 H HIS 31 H HIS 31 -1.974 3.686 4.992
185 HA HIS 31 HA HIS 31 0.507 3.703 6.084
186 HB2 HIS 31 1HB HIS 31 -0.699 1.636 5.643
187 HB3 HIS 31 2HB HIS 31 -0.484 1.849 3.908
188 HD1 HIS 31 HD1 HIS 31 1.520 1.118 7.028
189 HD2 HIS 31 HD2 HIS 31 1.861 0.853 2.896
190 HE1 HIS 31 HE1 HIS 31 3.644 -0.162 6.610
191 H GLN 32 H GLN 32 -0.255 4.131 2.656
192 HA GLN 32 HA GLN 32 2.317 4.101 1.611
193 HB2 GLN 32 1HB GLN 32 -0.169 5.582 0.778
194 HB3 GLN 32 2HB GLN 32 1.327 5.692 -0.140
195 HG2 GLN 32 1HG GLN 32 0.171 3.020 0.515
196 HG3 GLN 32 2HG GLN 32 -0.485 3.969 -0.817
197 HE21 GLN 32 1HE2 GLN 32 1.592 5.070 -2.011
198 HE22 GLN 32 2HE2 GLN 32 2.710 3.883 -2.583
199 H ARG 33 H ARG 33 0.470 6.842 2.914
200 HA ARG 33 HA ARG 33 2.248 8.889 2.405
201 HB2 ARG 33 1HB ARG 33 -0.118 8.819 3.597
202 HB3 ARG 33 2HB ARG 33 0.871 8.840 5.051
203 HG2 ARG 33 1HG ARG 33 0.430 11.078 4.688
204 HG3 ARG 33 2HG ARG 33 2.027 10.872 3.965
205 HD2 ARG 33 1HD ARG 33 1.063 10.732 1.762
206 HD3 ARG 33 2HD ARG 33 -0.567 10.759 2.434
207 HE ARG 33 HE ARG 33 0.815 13.068 3.251
208 HH11 ARG 33 1HH1 ARG 33 -0.578 11.628 0.404
209 HH12 ARG 33 2HH1 ARG 33 -0.913 13.147 -0.360
210 HH21 ARG 33 1HH2 ARG 33 0.380 15.074 2.256
211 HH22 ARG 33 2HH2 ARG 33 -0.367 15.106 0.695
212 H LEU 34 H LEU 34 2.252 6.572 5.072
213 HA LEU 34 HA LEU 34 4.297 7.714 6.602
214 HB2 LEU 34 1HB LEU 34 3.674 4.783 6.281
215 HB3 LEU 34 2HB LEU 34 4.550 5.528 7.617
216 HG LEU 34 HG LEU 34 1.652 6.067 6.979
217 HD11 LEU 34 1HD1 LEU 34 1.135 4.149 7.957
218 HD12 LEU 34 2HD1 LEU 34 1.975 4.672 9.417
219 HD13 LEU 34 3HD1 LEU 34 2.845 3.776 8.172
220 HD21 LEU 34 3HD2 LEU 34 1.602 7.445 8.773
221 HD22 LEU 34 1HD2 LEU 34 3.308 7.642 8.372
222 HD23 LEU 34 2HD2 LEU 34 2.826 6.528 9.652
223 H HIS 35 H HIS 35 4.420 5.442 3.897
224 HA HIS 35 HA HIS 35 7.149 4.834 3.996
225 HB2 HIS 35 1HB HIS 35 5.033 4.736 1.907
226 HB3 HIS 35 2HB HIS 35 6.706 4.638 1.366
227 HD1 HIS 35 HD1 HIS 35 8.030 2.512 1.985
228 HD2 HIS 35 HD2 HIS 35 4.099 2.509 3.328
229 HE1 HIS 35 HE1 HIS 35 7.566 0.146 2.701
230 H THR 36 H THR 36 5.432 7.548 2.562
231 HA THR 36 HA THR 36 7.276 8.687 0.919
232 HB THR 36 HB THR 36 5.655 10.247 2.940
233 HG1 THR 36 HG1 THR 36 4.967 8.889 0.590
234 HG21 THR 36 3HG2 THR 36 7.529 11.137 1.107
235 HG22 THR 36 1HG2 THR 36 6.260 12.108 1.853
236 HG23 THR 36 2HG2 THR 36 5.990 11.366 0.276
237 H GLY 37 H GLY 37 7.113 9.182 4.449
238 HA2 GLY 37 1HA GLY 37 9.832 9.069 4.941
239 HA3 GLY 37 2HA GLY 37 9.489 10.748 4.551
240 H GLN 38 H GLN 38 8.872 8.141 6.811
241 HA GLN 38 HA GLN 38 8.044 10.157 8.789
242 HB2 GLN 38 1HB GLN 38 6.248 8.485 7.842
243 HB3 GLN 38 2HB GLN 38 7.011 7.354 8.952
244 HG2 GLN 38 1HG GLN 38 5.662 9.953 9.626
245 HG3 GLN 38 2HG GLN 38 5.143 8.324 10.054
246 HE21 GLN 38 1HE2 GLN 38 5.857 7.443 11.894
247 HE22 GLN 38 2HE2 GLN 38 7.020 8.162 12.950
248 H ARG 39 H ARG 39 10.624 9.698 8.710
249 HA ARG 39 HA ARG 39 11.373 7.461 10.390
250 HB2 ARG 39 1HB ARG 39 12.894 9.662 9.018
251 HB3 ARG 39 2HB ARG 39 13.672 8.629 10.210
252 HG2 ARG 39 1HG ARG 39 13.395 6.709 8.886
253 HG3 ARG 39 2HG ARG 39 12.228 7.508 7.831
254 HD2 ARG 39 1HD ARG 39 14.086 9.076 7.163
255 HD3 ARG 39 2HD ARG 39 15.191 8.006 8.025
256 HE ARG 39 HE ARG 39 13.903 7.505 5.487
257 HH11 ARG 39 1HH1 ARG 39 15.572 6.142 8.221
258 HH12 ARG 39 2HH1 ARG 39 16.079 4.721 7.368
259 HH21 ARG 39 1HH2 ARG 39 14.565 5.640 4.353
260 HH22 ARG 39 2HH2 ARG 39 15.506 4.437 5.168
261 HA PRO 40 HA PRO 40 11.082 9.569 14.243
262 HB2 PRO 40 1HB PRO 40 12.862 8.102 15.675
263 HB3 PRO 40 2HB PRO 40 11.265 7.497 15.219
264 HG2 PRO 40 1HG PRO 40 13.922 6.984 13.939
265 HG3 PRO 40 2HG PRO 40 12.608 5.845 14.284
266 HD2 PRO 40 1HD PRO 40 13.021 6.891 11.821
267 HD3 PRO 40 2HD PRO 40 11.403 6.477 12.423
268 H SER 41 H SER 41 12.505 10.596 15.928
269 HA SER 41 HA SER 41 14.868 11.794 14.640
270 HB2 SER 41 1HB SER 41 12.827 12.948 16.531
271 HB3 SER 41 2HB SER 41 14.411 13.696 16.322
272 HG SER 41 HG SER 41 13.679 14.545 14.559
273 H GLY 42 H GLY 42 16.745 11.199 15.484
274 HA2 GLY 42 1HA GLY 42 16.814 10.008 18.148
275 HA3 GLY 42 2HA GLY 42 18.108 9.974 16.959
276 HA PRO 43 HA PRO 43 20.157 13.081 19.291
277 HB2 PRO 43 1HB PRO 43 21.777 14.088 17.359
278 HB3 PRO 43 2HB PRO 43 22.046 12.512 18.114
279 HG2 PRO 43 1HG PRO 43 20.763 13.160 15.487
280 HG3 PRO 43 2HG PRO 43 21.922 11.876 15.880
281 HD2 PRO 43 1HD PRO 43 19.262 11.420 15.652
282 HD3 PRO 43 2HD PRO 43 20.295 10.509 16.773
283 H SER 44 H SER 44 18.570 14.585 19.789
284 HA SER 44 HA SER 44 18.711 17.073 18.384
285 HB2 SER 44 1HB SER 44 17.040 15.698 17.040
286 HB3 SER 44 2HB SER 44 15.985 15.775 18.451
287 HG SER 44 HG SER 44 15.443 17.478 17.148
288 H SER 45 H SER 45 18.414 18.693 19.783
289 HA SER 45 HA SER 45 16.896 18.163 22.247
290 HB2 SER 45 1HB SER 45 19.373 18.031 22.639
291 HB3 SER 45 2HB SER 45 19.490 19.719 22.142
292 HG SER 45 HG SER 45 18.340 20.326 23.910
293 H GLY 46 H GLY 46 15.604 19.792 22.958
294 HA2 GLY 46 1HA GLY 46 15.564 22.394 22.912
295 HA3 GLY 46 2HA GLY 46 15.392 22.123 21.184
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -5.497 -32.720 9.063
2 HA2 GLY 1 1HA GLY 1 -3.184 -32.125 7.998
3 HA3 GLY 1 2HA GLY 1 -3.802 -33.146 6.708
4 H SER 2 H SER 2 -3.893 -30.045 8.185
5 HA SER 2 HA SER 2 -6.222 -29.116 6.770
6 HB2 SER 2 1HB SER 2 -4.100 -27.500 8.202
7 HB3 SER 2 2HB SER 2 -5.705 -26.943 7.728
8 HG SER 2 HG SER 2 -5.829 -27.519 9.859
9 H SER 3 H SER 3 -6.293 -28.390 4.753
10 HA SER 3 HA SER 3 -4.177 -28.493 2.972
11 HB2 SER 3 1HB SER 3 -5.602 -27.142 1.456
12 HB3 SER 3 2HB SER 3 -6.499 -28.451 2.226
13 HG SER 3 HG SER 3 -7.314 -26.920 3.709
14 H GLY 4 H GLY 4 -3.397 -26.551 1.643
15 HA2 GLY 4 1HA GLY 4 -2.185 -24.683 3.517
16 HA3 GLY 4 2HA GLY 4 -1.749 -24.899 1.828
17 H SER 5 H SER 5 -1.821 -22.392 2.531
18 HA SER 5 HA SER 5 -4.393 -21.395 1.498
19 HB2 SER 5 1HB SER 5 -3.859 -20.978 4.012
20 HB3 SER 5 2HB SER 5 -2.723 -19.776 3.401
21 HG SER 5 HG SER 5 -5.372 -19.577 3.678
22 H SER 6 H SER 6 -2.267 -22.021 -0.159
23 HA SER 6 HA SER 6 -0.754 -19.617 -0.707
24 HB2 SER 6 1HB SER 6 0.307 -21.797 -1.036
25 HB3 SER 6 2HB SER 6 -0.926 -22.237 -2.217
26 HG SER 6 HG SER 6 1.340 -20.937 -2.636
27 H GLY 7 H GLY 7 -1.390 -18.014 -1.985
28 HA2 GLY 7 1HA GLY 7 -3.758 -18.437 -3.674
29 HA3 GLY 7 2HA GLY 7 -3.170 -16.882 -3.106
30 H THR 8 H THR 8 -3.577 -18.595 -5.800
31 HA THR 8 HA THR 8 -1.105 -18.438 -7.145
32 HB THR 8 HB THR 8 -2.841 -19.848 -8.036
33 HG1 THR 8 HG1 THR 8 -2.752 -17.812 -9.971
34 HG21 THR 8 3HG2 THR 8 -4.417 -17.293 -8.193
35 HG22 THR 8 1HG2 THR 8 -4.861 -18.817 -7.425
36 HG23 THR 8 2HG2 THR 8 -4.824 -18.693 -9.184
37 H GLY 9 H GLY 9 -3.732 -16.135 -6.723
38 HA2 GLY 9 1HA GLY 9 -2.666 -13.781 -6.737
39 HA3 GLY 9 2HA GLY 9 -2.293 -14.195 -8.404
40 H GLU 10 H GLU 10 -4.956 -13.748 -6.118
41 HA GLU 10 HA GLU 10 -6.623 -12.878 -8.382
42 HB2 GLU 10 1HB GLU 10 -7.353 -15.105 -7.644
43 HB3 GLU 10 2HB GLU 10 -7.543 -14.502 -6.003
44 HG2 GLU 10 1HG GLU 10 -9.160 -12.792 -7.115
45 HG3 GLU 10 2HG GLU 10 -9.210 -13.978 -8.417
46 H LYS 11 H LYS 11 -6.129 -12.748 -4.874
47 HA LYS 11 HA LYS 11 -7.080 -9.966 -4.926
48 HB2 LYS 11 1HB LYS 11 -7.971 -10.459 -2.560
49 HB3 LYS 11 2HB LYS 11 -8.912 -11.027 -3.933
50 HG2 LYS 11 1HG LYS 11 -6.913 -12.870 -2.733
51 HG3 LYS 11 2HG LYS 11 -8.422 -12.575 -1.866
52 HD2 LYS 11 1HD LYS 11 -8.567 -13.203 -4.771
53 HD3 LYS 11 2HD LYS 11 -8.199 -14.517 -3.651
54 HE2 LYS 11 1HE LYS 11 -10.564 -12.666 -3.383
55 HE3 LYS 11 2HE LYS 11 -10.626 -14.248 -4.159
56 HZ1 LYS 11 3HZ LYS 11 -10.094 -15.307 -2.121
57 HZ2 LYS 11 1HZ LYS 11 -11.339 -14.211 -1.787
58 HZ3 LYS 11 2HZ LYS 11 -9.747 -13.839 -1.356
59 HA PRO 12 HA PRO 12 -2.875 -10.479 -2.930
60 HB2 PRO 12 1HB PRO 12 -1.612 -8.658 -4.497
61 HB3 PRO 12 2HB PRO 12 -1.753 -10.366 -4.931
62 HG2 PRO 12 1HG PRO 12 -3.383 -8.033 -5.862
63 HG3 PRO 12 2HG PRO 12 -2.732 -9.389 -6.801
64 HD2 PRO 12 1HD PRO 12 -5.315 -9.281 -5.997
65 HD3 PRO 12 2HD PRO 12 -4.430 -10.811 -6.161
66 H TYR 13 H TYR 13 -4.187 -7.435 -4.260
67 HA TYR 13 HA TYR 13 -4.011 -5.293 -3.382
68 HB2 TYR 13 1HB TYR 13 -5.351 -6.411 -0.959
69 HB3 TYR 13 2HB TYR 13 -5.760 -4.986 -1.908
70 HD1 TYR 13 HD2 TYR 13 -5.737 -6.405 -4.629
71 HD2 TYR 13 HD1 TYR 13 -7.524 -7.386 -0.894
72 HE1 TYR 13 HE2 TYR 13 -7.477 -7.685 -5.804
73 HE2 TYR 13 HE1 TYR 13 -9.268 -8.670 -2.059
74 HH TYR 13 HH TYR 13 -10.045 -9.369 -4.014
75 H LYS 14 H LYS 14 -1.566 -6.197 -3.000
76 HA LYS 14 HA LYS 14 -0.940 -5.682 -0.168
77 HB2 LYS 14 1HB LYS 14 0.271 -7.470 -2.214
78 HB3 LYS 14 2HB LYS 14 1.360 -6.714 -1.058
79 HG2 LYS 14 1HG LYS 14 -1.071 -8.056 -0.009
80 HG3 LYS 14 2HG LYS 14 0.252 -9.063 -0.601
81 HD2 LYS 14 1HD LYS 14 0.916 -6.819 1.233
82 HD3 LYS 14 2HD LYS 14 0.134 -8.246 1.917
83 HE2 LYS 14 1HE LYS 14 2.445 -8.642 2.118
84 HE3 LYS 14 2HE LYS 14 1.924 -9.607 0.738
85 HZ1 LYS 14 3HZ LYS 14 4.028 -8.009 0.665
86 HZ2 LYS 14 1HZ LYS 14 2.847 -6.909 0.159
87 HZ3 LYS 14 2HZ LYS 14 3.090 -8.344 -0.702
88 H CYS 15 H CYS 15 1.278 -4.664 0.133
89 HA CYS 15 HA CYS 15 1.360 -2.250 -1.461
90 HB2 CYS 15 1HB CYS 15 1.584 -2.084 0.966
91 HB3 CYS 15 2HB CYS 15 3.009 -3.117 0.923
92 H MET 16 H MET 16 3.125 -1.511 -2.655
93 HA MET 16 HA MET 16 4.824 -3.642 -3.702
94 HB2 MET 16 1HB MET 16 3.528 -2.177 -5.254
95 HB3 MET 16 2HB MET 16 4.492 -0.812 -4.708
96 HG2 MET 16 1HG MET 16 5.522 -1.436 -6.679
97 HG3 MET 16 2HG MET 16 6.515 -2.206 -5.444
98 HE1 MET 16 3HE MET 16 7.083 -5.185 -7.398
99 HE2 MET 16 1HE MET 16 6.945 -3.739 -8.397
100 HE3 MET 16 2HE MET 16 7.647 -3.631 -6.783
101 H GLU 17 H GLU 17 5.049 -0.484 -2.143
102 HA GLU 17 HA GLU 17 7.789 -0.067 -2.318
103 HB2 GLU 17 1HB GLU 17 5.965 0.654 -0.016
104 HB3 GLU 17 2HB GLU 17 7.544 1.359 -0.335
105 HG2 GLU 17 1HG GLU 17 5.396 1.491 -2.405
106 HG3 GLU 17 2HG GLU 17 5.402 2.621 -1.052
107 H CYS 18 H CYS 18 6.009 -1.551 0.396
108 HA CYS 18 HA CYS 18 8.482 -2.998 1.090
109 HB2 CYS 18 1HB CYS 18 7.796 -2.903 3.440
110 HB3 CYS 18 2HB CYS 18 7.955 -1.284 2.768
111 H GLY 19 H GLY 19 4.932 -3.077 1.249
112 HA2 GLY 19 1HA GLY 19 3.680 -4.962 0.485
113 HA3 GLY 19 2HA GLY 19 5.069 -5.982 0.827
114 H LYS 20 H LYS 20 2.043 -5.181 1.844
115 HA LYS 20 HA LYS 20 2.354 -6.626 4.306
116 HB2 LYS 20 1HB LYS 20 2.989 -4.173 4.788
117 HB3 LYS 20 2HB LYS 20 1.277 -3.829 4.578
118 HG2 LYS 20 1HG LYS 20 0.733 -5.367 6.387
119 HG3 LYS 20 2HG LYS 20 2.446 -5.744 6.588
120 HD2 LYS 20 1HD LYS 20 2.926 -3.694 7.517
121 HD3 LYS 20 2HD LYS 20 1.567 -2.896 6.721
122 HE2 LYS 20 1HE LYS 20 0.057 -3.591 8.305
123 HE3 LYS 20 2HE LYS 20 1.003 -5.014 8.737
124 HZ1 LYS 20 3HZ LYS 20 1.676 -3.845 10.485
125 HZ2 LYS 20 1HZ LYS 20 1.045 -2.397 9.877
126 HZ3 LYS 20 2HZ LYS 20 2.594 -2.902 9.422
127 H ALA 21 H ALA 21 0.363 -7.289 5.205
128 HA ALA 21 HA ALA 21 -1.792 -7.375 3.281
129 HB1 ALA 21 3HB ALA 21 -2.761 -9.047 4.649
130 HB2 ALA 21 1HB ALA 21 -1.022 -9.346 4.653
131 HB3 ALA 21 2HB ALA 21 -1.788 -8.572 6.041
132 H PHE 22 H PHE 22 -3.489 -6.063 3.249
133 HA PHE 22 HA PHE 22 -4.198 -4.618 5.716
134 HB2 PHE 22 1HB PHE 22 -4.065 -3.585 2.884
135 HB3 PHE 22 2HB PHE 22 -4.950 -2.749 4.156
136 HD1 PHE 22 HD2 PHE 22 -3.730 -1.832 6.106
137 HD2 PHE 22 HD1 PHE 22 -1.707 -3.470 2.739
138 HE1 PHE 22 HE2 PHE 22 -1.658 -0.706 6.808
139 HE2 PHE 22 HE1 PHE 22 0.368 -2.348 3.435
140 HZ PHE 22 HZ PHE 22 0.395 -0.963 5.472
141 H GLY 23 H GLY 23 -6.210 -4.962 6.385
142 HA2 GLY 23 1HA GLY 23 -8.053 -6.412 4.670
143 HA3 GLY 23 2HA GLY 23 -8.276 -6.050 6.376
144 H ASP 24 H ASP 24 -7.375 -3.477 4.259
145 HA ASP 24 HA ASP 24 -10.022 -2.651 3.573
146 HB2 ASP 24 1HB ASP 24 -9.991 -0.560 4.949
147 HB3 ASP 24 2HB ASP 24 -10.173 -2.035 5.894
148 H ASN 25 H ASN 25 -10.043 -0.591 2.419
149 HA ASN 25 HA ASN 25 -7.547 -0.215 0.969
150 HB2 ASN 25 1HB ASN 25 -10.392 0.649 0.488
151 HB3 ASN 25 2HB ASN 25 -9.059 1.313 -0.453
152 HD21 ASN 25 1HD2 ASN 25 -7.605 -0.344 -1.455
153 HD22 ASN 25 2HD2 ASN 25 -8.359 -1.742 -2.134
154 H SER 26 H SER 26 -9.719 1.545 3.091
155 HA SER 26 HA SER 26 -8.877 4.138 2.786
156 HB2 SER 26 1HB SER 26 -9.467 2.803 5.438
157 HB3 SER 26 2HB SER 26 -9.576 4.527 5.084
158 HG SER 26 HG SER 26 -11.622 3.606 4.954
159 H SER 27 H SER 27 -7.514 1.814 5.126
160 HA SER 27 HA SER 27 -5.392 3.428 5.970
161 HB2 SER 27 1HB SER 27 -5.602 0.409 5.890
162 HB3 SER 27 2HB SER 27 -4.361 1.304 6.767
163 HG SER 27 HG SER 27 -6.793 0.675 7.587
164 H CYS 28 H CYS 28 -5.391 0.796 3.568
165 HA CYS 28 HA CYS 28 -2.863 0.642 2.740
166 HB2 CYS 28 1HB CYS 28 -4.763 -0.506 1.642
167 HB3 CYS 28 2HB CYS 28 -5.182 0.998 0.831
168 HG CYS 28 HG CYS 28 -2.191 0.763 -0.040
169 H THR 29 H THR 29 -5.044 3.293 1.858
170 HA THR 29 HA THR 29 -3.284 4.677 0.171
171 HB THR 29 HB THR 29 -5.514 5.766 1.900
172 HG1 THR 29 HG1 THR 29 -6.403 5.792 -0.431
173 HG21 THR 29 3HG2 THR 29 -4.146 7.617 1.321
174 HG22 THR 29 1HG2 THR 29 -5.491 7.627 0.182
175 HG23 THR 29 2HG2 THR 29 -3.913 7.023 -0.322
176 H GLN 30 H GLN 30 -4.031 5.278 3.609
177 HA GLN 30 HA GLN 30 -2.134 7.300 3.994
178 HB2 GLN 30 1HB GLN 30 -3.270 5.329 5.985
179 HB3 GLN 30 2HB GLN 30 -2.362 6.774 6.412
180 HG2 GLN 30 1HG GLN 30 -4.079 8.177 5.903
181 HG3 GLN 30 2HG GLN 30 -4.743 7.100 4.676
182 HE21 GLN 30 1HE2 GLN 30 -6.708 6.513 5.232
183 HE22 GLN 30 2HE2 GLN 30 -7.226 6.047 6.812
184 H HIS 31 H HIS 31 -1.855 3.811 4.090
185 HA HIS 31 HA HIS 31 0.559 3.509 5.421
186 HB2 HIS 31 1HB HIS 31 -0.732 1.572 4.846
187 HB3 HIS 31 2HB HIS 31 -0.617 1.934 3.127
188 HD1 HIS 31 HD1 HIS 31 1.732 1.063 5.992
189 HD2 HIS 31 HD2 HIS 31 1.367 0.581 1.882
190 HE1 HIS 31 HE1 HIS 31 3.667 -0.392 5.311
191 H GLN 32 H GLN 32 -0.084 4.731 2.240
192 HA GLN 32 HA GLN 32 2.377 4.351 0.998
193 HB2 GLN 32 1HB GLN 32 0.239 5.268 -0.019
194 HB3 GLN 32 2HB GLN 32 0.675 6.821 0.682
195 HG2 GLN 32 1HG GLN 32 2.887 6.555 -0.576
196 HG3 GLN 32 2HG GLN 32 2.064 5.286 -1.481
197 HE21 GLN 32 1HE2 GLN 32 2.989 8.304 -1.778
198 HE22 GLN 32 2HE2 GLN 32 1.705 8.968 -2.724
199 H ARG 33 H ARG 33 1.321 7.458 2.391
200 HA ARG 33 HA ARG 33 3.898 8.560 2.502
201 HB2 ARG 33 1HB ARG 33 2.914 10.284 3.929
202 HB3 ARG 33 2HB ARG 33 1.861 9.921 2.569
203 HG2 ARG 33 1HG ARG 33 0.746 8.277 4.287
204 HG3 ARG 33 2HG ARG 33 1.483 9.366 5.464
205 HD2 ARG 33 1HD ARG 33 -0.525 10.412 5.182
206 HD3 ARG 33 2HD ARG 33 0.403 11.207 3.911
207 HE ARG 33 HE ARG 33 -0.995 8.837 3.055
208 HH11 ARG 33 1HH1 ARG 33 -1.172 12.284 3.509
209 HH12 ARG 33 2HH1 ARG 33 -2.439 12.504 2.349
210 HH21 ARG 33 1HH2 ARG 33 -2.664 9.113 1.525
211 HH22 ARG 33 2HH2 ARG 33 -3.288 10.699 1.222
212 H LEU 34 H LEU 34 2.069 6.656 4.816
213 HA LEU 34 HA LEU 34 3.425 7.058 7.156
214 HB2 LEU 34 1HB LEU 34 2.096 4.696 5.937
215 HB3 LEU 34 2HB LEU 34 3.066 4.442 7.387
216 HG LEU 34 HG LEU 34 0.669 6.259 7.136
217 HD11 LEU 34 1HD1 LEU 34 0.871 3.484 7.601
218 HD12 LEU 34 2HD1 LEU 34 -0.558 4.510 7.716
219 HD13 LEU 34 3HD1 LEU 34 0.451 4.242 9.137
220 HD21 LEU 34 3HD2 LEU 34 1.688 7.365 8.805
221 HD22 LEU 34 1HD2 LEU 34 2.804 6.041 9.139
222 HD23 LEU 34 2HD2 LEU 34 1.165 5.997 9.790
223 H HIS 35 H HIS 35 4.626 5.652 4.261
224 HA HIS 35 HA HIS 35 6.676 4.021 5.216
225 HB2 HIS 35 1HB HIS 35 6.165 5.505 2.689
226 HB3 HIS 35 2HB HIS 35 7.805 4.927 2.967
227 HD1 HIS 35 HD1 HIS 35 8.208 2.401 2.839
228 HD2 HIS 35 HD2 HIS 35 4.233 3.485 2.302
229 HE1 HIS 35 HE1 HIS 35 7.055 0.332 1.994
230 H THR 36 H THR 36 6.549 7.508 4.751
231 HA THR 36 HA THR 36 9.208 8.192 4.991
232 HB THR 36 HB THR 36 7.435 9.833 4.533
233 HG1 THR 36 HG1 THR 36 8.732 11.322 5.299
234 HG21 THR 36 3HG2 THR 36 6.733 10.411 7.279
235 HG22 THR 36 1HG2 THR 36 6.243 8.780 6.823
236 HG23 THR 36 2HG2 THR 36 5.686 10.163 5.882
237 H GLY 37 H GLY 37 10.612 7.471 6.458
238 HA2 GLY 37 1HA GLY 37 11.587 7.514 8.596
239 HA3 GLY 37 2HA GLY 37 10.011 7.877 9.283
240 H GLN 38 H GLN 38 9.172 6.307 10.468
241 HA GLN 38 HA GLN 38 9.124 4.243 11.514
242 HB2 GLN 38 1HB GLN 38 7.362 4.321 9.680
243 HB3 GLN 38 2HB GLN 38 8.457 3.338 8.716
244 HG2 GLN 38 1HG GLN 38 8.433 1.776 10.805
245 HG3 GLN 38 2HG GLN 38 6.930 2.621 11.170
246 HE21 GLN 38 1HE2 GLN 38 7.727 -0.173 10.202
247 HE22 GLN 38 2HE2 GLN 38 6.637 -0.470 8.895
248 H ARG 39 H ARG 39 11.708 4.631 11.275
249 HA ARG 39 HA ARG 39 12.910 2.440 9.771
250 HB2 ARG 39 1HB ARG 39 15.061 3.470 10.722
251 HB3 ARG 39 2HB ARG 39 14.162 4.408 9.537
252 HG2 ARG 39 1HG ARG 39 13.570 4.858 12.410
253 HG3 ARG 39 2HG ARG 39 15.085 5.486 11.757
254 HD2 ARG 39 1HD ARG 39 12.583 5.986 10.232
255 HD3 ARG 39 2HD ARG 39 12.846 6.900 11.716
256 HE ARG 39 HE ARG 39 14.091 7.359 9.233
257 HH11 ARG 39 1HH1 ARG 39 14.807 7.254 12.638
258 HH12 ARG 39 2HH1 ARG 39 16.113 8.387 12.532
259 HH21 ARG 39 1HH2 ARG 39 15.809 8.852 9.079
260 HH22 ARG 39 2HH2 ARG 39 16.681 9.296 10.507
261 HA PRO 40 HA PRO 40 13.141 -0.284 13.220
262 HB2 PRO 40 1HB PRO 40 15.243 -1.809 12.430
263 HB3 PRO 40 2HB PRO 40 13.640 -1.929 11.696
264 HG2 PRO 40 1HG PRO 40 16.066 -0.472 10.719
265 HG3 PRO 40 2HG PRO 40 14.916 -1.468 9.807
266 HD2 PRO 40 1HD PRO 40 14.821 1.238 9.804
267 HD3 PRO 40 2HD PRO 40 13.365 0.230 9.662
268 H SER 41 H SER 41 13.830 1.547 14.615
269 HA SER 41 HA SER 41 15.358 2.722 15.894
270 HB2 SER 41 1HB SER 41 14.839 0.639 17.145
271 HB3 SER 41 2HB SER 41 16.243 -0.129 16.404
272 HG SER 41 HG SER 41 16.545 2.301 17.781
273 H GLY 42 H GLY 42 16.258 2.706 13.254
274 HA2 GLY 42 1HA GLY 42 19.097 2.010 13.365
275 HA3 GLY 42 2HA GLY 42 18.209 2.521 11.937
276 HA PRO 43 HA PRO 43 20.507 6.077 14.233
277 HB2 PRO 43 1HB PRO 43 22.948 5.975 13.048
278 HB3 PRO 43 2HB PRO 43 22.577 5.136 14.560
279 HG2 PRO 43 1HG PRO 43 22.673 4.058 11.769
280 HG3 PRO 43 2HG PRO 43 23.298 3.343 13.266
281 HD2 PRO 43 1HD PRO 43 20.952 2.574 12.152
282 HD3 PRO 43 2HD PRO 43 21.225 2.563 13.907
283 H SER 44 H SER 44 21.239 5.009 10.905
284 HA SER 44 HA SER 44 20.534 7.716 9.978
285 HB2 SER 44 1HB SER 44 22.930 6.642 9.627
286 HB3 SER 44 2HB SER 44 22.128 5.850 8.271
287 HG SER 44 HG SER 44 21.725 8.589 8.566
288 H SER 45 H SER 45 20.636 4.377 8.719
289 HA SER 45 HA SER 45 19.261 3.259 7.285
290 HB2 SER 45 1HB SER 45 16.951 3.218 7.877
291 HB3 SER 45 2HB SER 45 17.838 3.499 9.376
292 HG SER 45 HG SER 45 15.898 4.941 8.469
293 H GLY 46 H GLY 46 20.443 5.465 6.111
294 HA2 GLY 46 1HA GLY 46 18.276 6.462 4.363
295 HA3 GLY 46 2HA GLY 46 19.673 7.434 4.802