Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504513 | 2em7 RC | 10180 | 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 -0.288 -11.824 -15.524
2 HA2 GLY 1 1HA GLY 1 2.001 -12.747 -16.314
3 HA3 GLY 1 2HA GLY 1 2.598 -11.267 -15.578
4 H SER 2 H SER 2 2.468 -11.013 -13.309
5 HA SER 2 HA SER 2 3.298 -12.992 -11.717
6 HB2 SER 2 1HB SER 2 2.330 -11.804 -9.785
7 HB3 SER 2 2HB SER 2 3.051 -10.680 -10.936
8 HG SER 2 HG SER 2 0.735 -10.667 -11.795
9 H SER 3 H SER 3 2.405 -14.511 -10.270
10 HA SER 3 HA SER 3 0.306 -16.055 -11.297
11 HB2 SER 3 1HB SER 3 2.158 -16.835 -9.755
12 HB3 SER 3 2HB SER 3 1.258 -16.100 -8.428
13 HG SER 3 HG SER 3 -0.072 -17.873 -10.139
14 H GLY 4 H GLY 4 -1.829 -15.858 -11.167
15 HA2 GLY 4 1HA GLY 4 -2.971 -14.352 -8.906
16 HA3 GLY 4 2HA GLY 4 -3.450 -13.970 -10.553
17 H SER 5 H SER 5 -3.987 -15.965 -7.848
18 HA SER 5 HA SER 5 -6.127 -17.343 -9.298
19 HB2 SER 5 1HB SER 5 -5.573 -19.480 -8.215
20 HB3 SER 5 2HB SER 5 -4.236 -18.914 -9.216
21 HG SER 5 HG SER 5 -4.263 -19.449 -6.588
22 H SER 6 H SER 6 -7.793 -18.216 -7.893
23 HA SER 6 HA SER 6 -8.526 -16.403 -5.854
24 HB2 SER 6 1HB SER 6 -10.128 -17.721 -7.263
25 HB3 SER 6 2HB SER 6 -9.680 -19.157 -6.343
26 HG SER 6 HG SER 6 -10.284 -17.710 -4.455
27 H GLY 7 H GLY 7 -8.083 -16.370 -3.746
28 HA2 GLY 7 1HA GLY 7 -7.769 -18.662 -2.126
29 HA3 GLY 7 2HA GLY 7 -6.183 -18.046 -2.569
30 H THR 8 H THR 8 -5.359 -16.348 -1.483
31 HA THR 8 HA THR 8 -6.743 -15.461 0.875
32 HB THR 8 HB THR 8 -4.724 -14.189 1.377
33 HG1 THR 8 HG1 THR 8 -2.957 -14.626 -0.316
34 HG21 THR 8 3HG2 THR 8 -3.526 -16.673 0.309
35 HG22 THR 8 1HG2 THR 8 -4.914 -16.871 1.378
36 HG23 THR 8 2HG2 THR 8 -3.484 -16.004 1.940
37 H GLY 9 H GLY 9 -7.015 -13.181 1.439
38 HA2 GLY 9 1HA GLY 9 -8.247 -11.742 -0.743
39 HA3 GLY 9 2HA GLY 9 -8.237 -11.268 0.949
40 H GLU 10 H GLU 10 -7.583 -9.893 -1.707
41 HA GLU 10 HA GLU 10 -5.043 -8.722 -0.790
42 HB2 GLU 10 1HB GLU 10 -4.364 -8.410 -3.123
43 HB3 GLU 10 2HB GLU 10 -4.602 -10.112 -2.752
44 HG2 GLU 10 1HG GLU 10 -6.738 -10.103 -3.866
45 HG3 GLU 10 2HG GLU 10 -6.618 -8.367 -4.147
46 H LYS 11 H LYS 11 -4.991 -6.554 -0.667
47 HA LYS 11 HA LYS 11 -7.330 -5.039 -0.711
48 HB2 LYS 11 1HB LYS 11 -4.464 -4.104 -0.946
49 HB3 LYS 11 2HB LYS 11 -5.834 -3.066 -0.576
50 HG2 LYS 11 1HG LYS 11 -5.044 -5.421 1.117
51 HG3 LYS 11 2HG LYS 11 -4.453 -3.780 1.389
52 HD2 LYS 11 1HD LYS 11 -6.530 -2.999 2.033
53 HD3 LYS 11 2HD LYS 11 -7.392 -4.273 1.168
54 HE2 LYS 11 1HE LYS 11 -7.468 -4.526 3.633
55 HE3 LYS 11 2HE LYS 11 -6.739 -5.903 2.808
56 HZ1 LYS 11 3HZ LYS 11 -5.524 -5.170 4.820
57 HZ2 LYS 11 1HZ LYS 11 -5.183 -3.702 4.050
58 HZ3 LYS 11 2HZ LYS 11 -4.576 -5.150 3.419
59 HA PRO 12 HA PRO 12 -7.991 -4.114 -4.964
60 HB2 PRO 12 1HB PRO 12 -9.427 -1.826 -4.692
61 HB3 PRO 12 2HB PRO 12 -10.090 -3.425 -4.334
62 HG2 PRO 12 1HG PRO 12 -8.994 -1.365 -2.458
63 HG3 PRO 12 2HG PRO 12 -10.444 -2.372 -2.291
64 HD2 PRO 12 1HD PRO 12 -8.115 -2.951 -1.036
65 HD3 PRO 12 2HD PRO 12 -9.241 -4.208 -1.588
66 H TYR 13 H TYR 13 -6.540 -1.760 -2.815
67 HA TYR 13 HA TYR 13 -5.143 -0.591 -5.127
68 HB2 TYR 13 1HB TYR 13 -6.018 0.977 -2.697
69 HB3 TYR 13 2HB TYR 13 -5.287 1.609 -4.168
70 HD1 TYR 13 HD2 TYR 13 -6.654 1.026 -6.381
71 HD2 TYR 13 HD1 TYR 13 -8.304 1.169 -2.462
72 HE1 TYR 13 HE2 TYR 13 -8.889 1.385 -7.341
73 HE2 TYR 13 HE1 TYR 13 -10.544 1.527 -3.411
74 HH TYR 13 HH TYR 13 -11.644 0.898 -5.819
75 H LYS 14 H LYS 14 -3.058 -1.044 -4.981
76 HA LYS 14 HA LYS 14 -1.792 -1.020 -2.320
77 HB2 LYS 14 1HB LYS 14 -2.054 -3.315 -3.355
78 HB3 LYS 14 2HB LYS 14 -0.947 -2.788 -4.616
79 HG2 LYS 14 1HG LYS 14 0.834 -2.540 -3.065
80 HG3 LYS 14 2HG LYS 14 -0.253 -2.756 -1.691
81 HD2 LYS 14 1HD LYS 14 0.791 -4.831 -1.896
82 HD3 LYS 14 2HD LYS 14 -0.753 -5.063 -2.720
83 HE2 LYS 14 1HE LYS 14 1.004 -6.033 -4.049
84 HE3 LYS 14 2HE LYS 14 0.379 -4.606 -4.874
85 HZ1 LYS 14 3HZ LYS 14 2.671 -4.237 -3.103
86 HZ2 LYS 14 1HZ LYS 14 2.299 -3.469 -4.564
87 HZ3 LYS 14 2HZ LYS 14 2.950 -5.030 -4.571
88 H CYS 15 H CYS 15 0.071 0.108 -2.112
89 HA CYS 15 HA CYS 15 0.733 2.093 -3.957
90 HB2 CYS 15 1HB CYS 15 1.308 1.880 -1.432
91 HB3 CYS 15 2HB CYS 15 2.738 1.020 -1.994
92 H GLU 16 H GLU 16 1.866 2.080 -5.782
93 HA GLU 16 HA GLU 16 3.193 -0.360 -6.614
94 HB2 GLU 16 1HB GLU 16 1.682 1.277 -8.027
95 HB3 GLU 16 2HB GLU 16 3.199 2.135 -8.260
96 HG2 GLU 16 1HG GLU 16 4.184 0.320 -9.371
97 HG3 GLU 16 2HG GLU 16 2.931 -0.796 -8.830
98 H GLU 17 H GLU 17 4.148 2.010 -4.683
99 HA GLU 17 HA GLU 17 6.800 2.387 -5.866
100 HB2 GLU 17 1HB GLU 17 5.446 3.701 -3.507
101 HB3 GLU 17 2HB GLU 17 7.109 4.017 -3.982
102 HG2 GLU 17 1HG GLU 17 5.578 5.736 -4.793
103 HG3 GLU 17 2HG GLU 17 6.374 4.883 -6.115
104 H CYS 18 H CYS 18 5.301 1.348 -2.812
105 HA CYS 18 HA CYS 18 7.797 -0.079 -2.170
106 HB2 CYS 18 1HB CYS 18 7.055 0.041 0.201
107 HB3 CYS 18 2HB CYS 18 7.323 1.626 -0.519
108 H GLY 19 H GLY 19 4.265 -0.275 -2.138
109 HA2 GLY 19 1HA GLY 19 3.246 -2.342 -2.927
110 HA3 GLY 19 2HA GLY 19 4.534 -3.215 -2.111
111 H LYS 20 H LYS 20 2.424 -0.579 -0.998
112 HA LYS 20 HA LYS 20 1.721 -2.241 1.317
113 HB2 LYS 20 1HB LYS 20 1.750 0.731 0.856
114 HB3 LYS 20 2HB LYS 20 0.861 0.027 2.199
115 HG2 LYS 20 1HG LYS 20 3.753 -0.611 1.782
116 HG3 LYS 20 2HG LYS 20 3.257 0.875 2.597
117 HD2 LYS 20 1HD LYS 20 2.307 -1.861 3.426
118 HD3 LYS 20 2HD LYS 20 3.743 -1.090 4.103
119 HE2 LYS 20 1HE LYS 20 2.304 0.843 4.755
120 HE3 LYS 20 2HE LYS 20 0.902 -0.089 4.229
121 HZ1 LYS 20 3HZ LYS 20 2.460 -0.321 6.639
122 HZ2 LYS 20 1HZ LYS 20 2.171 -1.805 5.880
123 HZ3 LYS 20 2HZ LYS 20 0.873 -0.816 6.325
124 H GLY 21 H GLY 21 -0.249 -3.088 1.472
125 HA2 GLY 21 1HA GLY 21 -2.255 -2.403 -0.508
126 HA3 GLY 21 2HA GLY 21 -2.353 -3.699 0.675
127 H PHE 22 H PHE 22 -4.160 -1.381 -0.184
128 HA PHE 22 HA PHE 22 -4.894 -0.614 2.546
129 HB2 PHE 22 1HB PHE 22 -4.680 1.314 0.224
130 HB3 PHE 22 2HB PHE 22 -5.358 1.701 1.802
131 HD1 PHE 22 HD2 PHE 22 -3.889 1.742 3.796
132 HD2 PHE 22 HD1 PHE 22 -2.344 1.279 -0.143
133 HE1 PHE 22 HE2 PHE 22 -1.650 2.361 4.605
134 HE2 PHE 22 HE1 PHE 22 -0.102 1.896 0.661
135 HZ PHE 22 HZ PHE 22 0.247 2.439 3.037
136 H ILE 23 H ILE 23 -7.082 -0.369 2.902
137 HA ILE 23 HA ILE 23 -8.802 -1.626 0.956
138 HB ILE 23 HB ILE 23 -10.583 -1.191 2.722
139 HG12 ILE 23 1HG1 ILE 23 -8.233 -0.622 4.519
140 HG13 ILE 23 2HG1 ILE 23 -9.151 0.677 3.764
141 HG21 ILE 23 1HG2 ILE 23 -8.690 -3.171 2.457
142 HG22 ILE 23 2HG2 ILE 23 -8.590 -2.743 4.164
143 HG23 ILE 23 3HG2 ILE 23 -10.131 -3.245 3.470
144 HD11 ILE 23 3HD1 ILE 23 -11.144 -0.784 4.855
145 HD12 ILE 23 1HD1 ILE 23 -9.844 -1.070 6.012
146 HD13 ILE 23 2HD1 ILE 23 -10.354 0.579 5.647
147 H CYS 24 H CYS 24 -7.738 1.477 1.401
148 HA CYS 24 HA CYS 24 -10.060 2.551 -0.040
149 HB2 CYS 24 1HB CYS 24 -10.188 3.238 2.342
150 HB3 CYS 24 2HB CYS 24 -8.608 3.996 2.185
151 HG CYS 24 HG CYS 24 -11.608 5.045 1.039
152 H ARG 25 H ARG 25 -9.525 3.590 -1.848
153 HA ARG 25 HA ARG 25 -6.861 3.733 -2.747
154 HB2 ARG 25 1HB ARG 25 -7.790 5.038 -4.637
155 HB3 ARG 25 2HB ARG 25 -8.693 3.562 -4.318
156 HG2 ARG 25 1HG ARG 25 -10.286 5.015 -2.969
157 HG3 ARG 25 2HG ARG 25 -9.478 6.393 -3.719
158 HD2 ARG 25 1HD ARG 25 -11.160 6.088 -5.226
159 HD3 ARG 25 2HD ARG 25 -9.954 5.006 -5.922
160 HE ARG 25 HE ARG 25 -11.358 3.414 -4.225
161 HH11 ARG 25 1HH1 ARG 25 -12.226 5.529 -6.850
162 HH12 ARG 25 2HH1 ARG 25 -13.618 4.604 -7.308
163 HH21 ARG 25 1HH2 ARG 25 -13.188 2.188 -4.817
164 HH22 ARG 25 2HH2 ARG 25 -14.165 2.705 -6.149
165 H ARG 26 H ARG 26 -8.900 6.002 -1.060
166 HA ARG 26 HA ARG 26 -7.461 8.361 -1.599
167 HB2 ARG 26 1HB ARG 26 -9.681 8.482 -0.670
168 HB3 ARG 26 2HB ARG 26 -9.182 7.582 0.756
169 HG2 ARG 26 1HG ARG 26 -9.173 9.703 1.588
170 HG3 ARG 26 2HG ARG 26 -7.503 9.583 1.032
171 HD2 ARG 26 1HD ARG 26 -8.231 10.633 -1.117
172 HD3 ARG 26 2HD ARG 26 -9.814 10.898 -0.386
173 HE ARG 26 HE ARG 26 -8.068 12.033 1.370
174 HH11 ARG 26 1HH1 ARG 26 -8.696 12.392 -2.036
175 HH12 ARG 26 2HH1 ARG 26 -8.225 14.059 -2.079
176 HH21 ARG 26 1HH2 ARG 26 -7.446 14.227 1.325
177 HH22 ARG 26 2HH2 ARG 26 -7.514 15.101 -0.167
178 H ASP 27 H ASP 27 -7.324 6.172 1.210
179 HA ASP 27 HA ASP 27 -5.315 7.434 2.630
180 HB2 ASP 27 1HB ASP 27 -6.205 4.581 2.425
181 HB3 ASP 27 2HB ASP 27 -4.764 4.973 3.360
182 H LEU 28 H LEU 28 -4.962 4.860 0.195
183 HA LEU 28 HA LEU 28 -2.262 4.484 0.208
184 HB2 LEU 28 1HB LEU 28 -3.484 3.132 -1.238
185 HB3 LEU 28 2HB LEU 28 -4.255 4.508 -2.024
186 HG LEU 28 HG LEU 28 -2.166 5.040 -3.166
187 HD11 LEU 28 1HD1 LEU 28 -1.001 2.491 -2.101
188 HD12 LEU 28 2HD1 LEU 28 -0.755 4.033 -1.283
189 HD13 LEU 28 3HD1 LEU 28 -0.193 3.815 -2.940
190 HD21 LEU 28 3HD2 LEU 28 -3.092 2.186 -3.444
191 HD22 LEU 28 1HD2 LEU 28 -2.041 3.007 -4.598
192 HD23 LEU 28 2HD2 LEU 28 -3.682 3.594 -4.328
193 H TYR 29 H TYR 29 -3.931 6.858 -1.870
194 HA TYR 29 HA TYR 29 -1.758 8.087 -2.997
195 HB2 TYR 29 1HB TYR 29 -4.498 9.007 -2.280
196 HB3 TYR 29 2HB TYR 29 -3.324 10.231 -2.749
197 HD1 TYR 29 HD1 TYR 29 -4.554 6.898 -3.921
198 HD2 TYR 29 HD2 TYR 29 -3.210 10.793 -4.982
199 HE1 TYR 29 HE1 TYR 29 -4.989 6.397 -6.290
200 HE2 TYR 29 HE2 TYR 29 -3.642 10.303 -7.353
201 HH TYR 29 HH TYR 29 -4.535 8.854 -8.801
202 H THR 30 H THR 30 -3.312 8.965 0.081
203 HA THR 30 HA THR 30 -1.789 11.120 0.820
204 HB THR 30 HB THR 30 -2.681 8.930 2.704
205 HG1 THR 30 HG1 THR 30 -4.058 11.197 1.662
206 HG21 THR 30 3HG2 THR 30 -2.763 11.724 3.576
207 HG22 THR 30 1HG2 THR 30 -1.137 11.124 3.254
208 HG23 THR 30 2HG2 THR 30 -2.170 10.293 4.417
209 H HIS 31 H HIS 31 -1.047 7.695 1.448
210 HA HIS 31 HA HIS 31 1.379 8.107 2.784
211 HB2 HIS 31 1HB HIS 31 0.634 5.942 3.027
212 HB3 HIS 31 2HB HIS 31 0.123 5.815 1.347
213 HD1 HIS 31 HD1 HIS 31 3.218 5.625 3.492
214 HD2 HIS 31 HD2 HIS 31 1.974 4.707 -0.365
215 HE1 HIS 31 HE1 HIS 31 5.099 4.301 2.476
216 H HIS 32 H HIS 32 0.588 8.072 -0.612
217 HA HIS 32 HA HIS 32 3.057 7.637 -1.774
218 HB2 HIS 32 1HB HIS 32 0.809 7.974 -2.924
219 HB3 HIS 32 2HB HIS 32 1.102 9.704 -2.777
220 HD1 HIS 32 HD1 HIS 32 1.273 10.065 -5.307
221 HD2 HIS 32 HD2 HIS 32 4.020 7.324 -3.823
222 HE1 HIS 32 HE1 HIS 32 2.909 9.672 -7.177
223 H MET 33 H MET 33 2.082 10.224 0.212
224 HA MET 33 HA MET 33 3.655 12.328 -0.756
225 HB2 MET 33 1HB MET 33 2.535 11.631 1.934
226 HB3 MET 33 2HB MET 33 3.644 12.987 1.778
227 HG2 MET 33 1HG MET 33 1.982 13.634 -0.179
228 HG3 MET 33 2HG MET 33 0.869 12.677 0.795
229 HE1 MET 33 3HE MET 33 -0.679 14.834 1.029
230 HE2 MET 33 1HE MET 33 -0.113 16.382 1.659
231 HE3 MET 33 2HE MET 33 0.470 15.799 0.100
232 H VAL 34 H VAL 34 4.406 9.795 1.618
233 HA VAL 34 HA VAL 34 7.002 10.676 2.245
234 HB VAL 34 HB VAL 34 7.401 8.402 3.085
235 HG11 VAL 34 1HG1 VAL 34 5.356 10.190 3.904
236 HG12 VAL 34 2HG1 VAL 34 4.787 8.543 4.184
237 HG13 VAL 34 3HG1 VAL 34 6.310 9.084 4.892
238 HG21 VAL 34 3HG2 VAL 34 5.719 7.586 1.094
239 HG22 VAL 34 1HG2 VAL 34 6.243 6.589 2.452
240 HG23 VAL 34 2HG2 VAL 34 4.696 7.433 2.523
241 H HIS 35 H HIS 35 5.769 9.302 -0.593
242 HA HIS 35 HA HIS 35 8.312 8.155 -1.431
243 HB2 HIS 35 1HB HIS 35 5.533 8.177 -2.554
244 HB3 HIS 35 2HB HIS 35 6.894 7.804 -3.607
245 HD1 HIS 35 HD1 HIS 35 8.560 5.871 -2.278
246 HD2 HIS 35 HD2 HIS 35 4.460 5.900 -1.605
247 HE1 HIS 35 HE1 HIS 35 8.003 3.573 -1.421
248 H THR 36 H THR 36 6.435 11.034 -1.829
249 HA THR 36 HA THR 36 7.891 11.934 -4.163
250 HB THR 36 HB THR 36 6.571 13.968 -4.006
251 HG1 THR 36 HG1 THR 36 6.565 13.634 -1.500
252 HG21 THR 36 3HG2 THR 36 4.698 13.003 -4.806
253 HG22 THR 36 1HG2 THR 36 4.446 12.048 -3.345
254 HG23 THR 36 2HG2 THR 36 5.584 11.496 -4.574
255 H GLY 37 H GLY 37 9.160 11.421 -1.423
256 HA2 GLY 37 1HA GLY 37 10.670 13.945 -1.374
257 HA3 GLY 37 2HA GLY 37 10.044 13.288 0.131
258 H GLU 38 H GLU 38 11.462 11.541 -2.604
259 HA GLU 38 HA GLU 38 12.939 9.743 -1.166
260 HB2 GLU 38 1HB GLU 38 13.462 10.980 -3.861
261 HB3 GLU 38 2HB GLU 38 14.492 9.716 -3.204
262 HG2 GLU 38 1HG GLU 38 11.534 9.331 -3.410
263 HG3 GLU 38 2HG GLU 38 12.586 9.066 -4.799
264 H LYS 39 H LYS 39 15.317 9.578 -0.912
265 HA LYS 39 HA LYS 39 16.599 12.172 -0.401
266 HB2 LYS 39 1HB LYS 39 17.568 11.201 1.694
267 HB3 LYS 39 2HB LYS 39 15.829 11.458 1.753
268 HG2 LYS 39 1HG LYS 39 15.570 9.023 1.147
269 HG3 LYS 39 2HG LYS 39 17.304 8.861 1.437
270 HD2 LYS 39 1HD LYS 39 15.528 10.093 3.509
271 HD3 LYS 39 2HD LYS 39 15.638 8.338 3.357
272 HE2 LYS 39 1HE LYS 39 17.808 8.276 4.068
273 HE3 LYS 39 2HE LYS 39 18.171 9.887 3.453
274 HZ1 LYS 39 3HZ LYS 39 16.395 9.446 5.780
275 HZ2 LYS 39 1HZ LYS 39 17.137 10.885 5.291
276 HZ3 LYS 39 2HZ LYS 39 18.068 9.633 5.944
277 HA PRO 40 HA PRO 40 19.357 9.451 -2.905
278 HB2 PRO 40 1HB PRO 40 20.255 11.461 -4.494
279 HB3 PRO 40 2HB PRO 40 18.764 10.571 -4.822
280 HG2 PRO 40 1HG PRO 40 19.127 13.246 -3.528
281 HG3 PRO 40 2HG PRO 40 17.930 12.739 -4.735
282 HD2 PRO 40 1HD PRO 40 17.349 12.931 -2.097
283 HD3 PRO 40 2HD PRO 40 16.582 11.732 -3.159
284 H SER 41 H SER 41 19.699 11.889 -0.656
285 HA SER 41 HA SER 41 22.639 11.810 -0.809
286 HB2 SER 41 1HB SER 41 20.929 13.842 0.642
287 HB3 SER 41 2HB SER 41 22.674 13.909 0.395
288 HG SER 41 HG SER 41 21.847 13.710 -1.982
289 H GLY 42 H GLY 42 22.664 9.752 0.269
290 HA2 GLY 42 1HA GLY 42 23.101 9.934 3.037
291 HA3 GLY 42 2HA GLY 42 21.498 9.262 2.778
292 HA PRO 43 HA PRO 43 24.728 5.868 2.709
293 HB2 PRO 43 1HB PRO 43 23.633 4.399 4.712
294 HB3 PRO 43 2HB PRO 43 24.815 5.682 4.997
295 HG2 PRO 43 1HG PRO 43 21.833 5.764 5.249
296 HG3 PRO 43 2HG PRO 43 23.066 6.439 6.330
297 HD2 PRO 43 1HD PRO 43 21.712 7.953 4.540
298 HD3 PRO 43 2HD PRO 43 23.390 8.298 5.006
299 H SER 44 H SER 44 21.431 6.296 2.195
300 HA SER 44 HA SER 44 20.153 3.970 1.957
301 HB2 SER 44 1HB SER 44 19.486 6.279 1.022
302 HB3 SER 44 2HB SER 44 20.267 5.754 -0.469
303 HG SER 44 HG SER 44 18.460 4.780 -0.876
304 H SER 45 H SER 45 22.633 5.056 -0.340
305 HA SER 45 HA SER 45 23.728 3.956 -2.022
306 HB2 SER 45 1HB SER 45 24.829 1.887 -1.300
307 HB3 SER 45 2HB SER 45 24.869 3.092 -0.013
308 HG SER 45 HG SER 45 23.073 0.904 -0.233
309 H GLY 46 H GLY 46 20.985 3.879 -2.425
310 HA2 GLY 46 1HA GLY 46 19.573 2.850 -3.940
311 HA3 GLY 46 2HA GLY 46 20.782 1.592 -4.153
Start of MODEL 2
1 H1 GLY 1 H GLY 1 10.193 -20.725 4.237
2 HA2 GLY 1 1HA GLY 1 10.142 -18.491 5.088
3 HA3 GLY 1 2HA GLY 1 8.630 -18.870 5.899
4 H SER 2 H SER 2 11.558 -17.978 6.628
5 HA SER 2 HA SER 2 11.883 -19.864 8.867
6 HB2 SER 2 1HB SER 2 14.238 -19.163 8.944
7 HB3 SER 2 2HB SER 2 13.819 -19.792 7.350
8 HG SER 2 HG SER 2 14.992 -17.866 7.158
9 H SER 3 H SER 3 12.015 -16.440 7.965
10 HA SER 3 HA SER 3 11.246 -15.759 10.713
11 HB2 SER 3 1HB SER 3 13.462 -14.418 9.144
12 HB3 SER 3 2HB SER 3 12.812 -13.827 10.673
13 HG SER 3 HG SER 3 13.399 -16.029 11.465
14 H GLY 4 H GLY 4 10.722 -13.273 10.763
15 HA2 GLY 4 1HA GLY 4 9.182 -11.690 10.130
16 HA3 GLY 4 2HA GLY 4 9.913 -11.849 8.539
17 H SER 5 H SER 5 7.616 -13.561 10.659
18 HA SER 5 HA SER 5 6.113 -14.358 8.265
19 HB2 SER 5 1HB SER 5 5.809 -15.394 11.092
20 HB3 SER 5 2HB SER 5 5.085 -16.070 9.633
21 HG SER 5 HG SER 5 7.884 -15.835 9.998
22 H SER 6 H SER 6 5.392 -13.362 11.616
23 HA SER 6 HA SER 6 2.773 -12.773 11.491
24 HB2 SER 6 1HB SER 6 4.227 -12.401 13.480
25 HB3 SER 6 2HB SER 6 4.812 -10.913 12.736
26 HG SER 6 HG SER 6 3.170 -10.229 13.964
27 H GLY 7 H GLY 7 1.570 -11.734 10.054
28 HA2 GLY 7 1HA GLY 7 1.314 -9.209 9.410
29 HA3 GLY 7 2HA GLY 7 2.766 -9.565 8.486
30 H THR 8 H THR 8 -0.659 -9.888 8.668
31 HA THR 8 HA THR 8 -0.659 -11.026 5.958
32 HB THR 8 HB THR 8 -1.274 -12.907 7.244
33 HG1 THR 8 HG1 THR 8 -3.853 -11.905 6.738
34 HG21 THR 8 3HG2 THR 8 -1.693 -11.543 9.339
35 HG22 THR 8 1HG2 THR 8 -2.769 -12.916 9.085
36 HG23 THR 8 2HG2 THR 8 -3.327 -11.280 8.732
37 H GLY 9 H GLY 9 -2.606 -10.567 4.726
38 HA2 GLY 9 1HA GLY 9 -4.792 -9.114 5.351
39 HA3 GLY 9 2HA GLY 9 -3.546 -7.880 5.246
40 H GLU 10 H GLU 10 -5.994 -8.629 3.584
41 HA GLU 10 HA GLU 10 -4.607 -8.617 0.985
42 HB2 GLU 10 1HB GLU 10 -6.618 -9.773 0.052
43 HB3 GLU 10 2HB GLU 10 -5.689 -10.746 1.184
44 HG2 GLU 10 1HG GLU 10 -7.359 -9.939 2.949
45 HG3 GLU 10 2HG GLU 10 -8.353 -9.439 1.582
46 H LYS 11 H LYS 11 -4.656 -6.436 0.641
47 HA LYS 11 HA LYS 11 -7.202 -5.021 0.881
48 HB2 LYS 11 1HB LYS 11 -4.487 -3.914 0.150
49 HB3 LYS 11 2HB LYS 11 -5.918 -2.990 0.587
50 HG2 LYS 11 1HG LYS 11 -4.830 -4.972 2.526
51 HG3 LYS 11 2HG LYS 11 -4.014 -3.420 2.325
52 HD2 LYS 11 1HD LYS 11 -6.245 -2.320 2.707
53 HD3 LYS 11 2HD LYS 11 -6.870 -3.909 3.153
54 HE2 LYS 11 1HE LYS 11 -4.427 -2.786 4.476
55 HE3 LYS 11 2HE LYS 11 -6.040 -2.322 5.015
56 HZ1 LYS 11 3HZ LYS 11 -5.691 -5.162 4.703
57 HZ2 LYS 11 1HZ LYS 11 -6.352 -4.289 5.992
58 HZ3 LYS 11 2HZ LYS 11 -4.676 -4.486 5.875
59 HA PRO 12 HA PRO 12 -8.098 -5.163 -3.421
60 HB2 PRO 12 1HB PRO 12 -9.533 -2.873 -3.676
61 HB3 PRO 12 2HB PRO 12 -10.164 -4.318 -2.877
62 HG2 PRO 12 1HG PRO 12 -8.980 -1.848 -1.668
63 HG3 PRO 12 2HG PRO 12 -10.411 -2.766 -1.163
64 HD2 PRO 12 1HD PRO 12 -8.012 -3.015 0.068
65 HD3 PRO 12 2HD PRO 12 -9.157 -4.364 -0.073
66 H TYR 13 H TYR 13 -6.601 -2.294 -2.058
67 HA TYR 13 HA TYR 13 -5.529 -1.621 -4.718
68 HB2 TYR 13 1HB TYR 13 -5.853 0.154 -2.290
69 HB3 TYR 13 2HB TYR 13 -5.170 0.653 -3.834
70 HD1 TYR 13 HD2 TYR 13 -6.692 0.460 -5.903
71 HD2 TYR 13 HD1 TYR 13 -8.147 0.338 -1.906
72 HE1 TYR 13 HE2 TYR 13 -8.939 1.057 -6.708
73 HE2 TYR 13 HE1 TYR 13 -10.397 0.934 -2.700
74 HH TYR 13 HH TYR 13 -11.661 1.425 -4.453
75 H LYS 14 H LYS 14 -3.336 -1.230 -4.965
76 HA LYS 14 HA LYS 14 -1.612 -1.787 -2.653
77 HB2 LYS 14 1HB LYS 14 -1.849 -3.855 -3.992
78 HB3 LYS 14 2HB LYS 14 -1.255 -2.991 -5.405
79 HG2 LYS 14 1HG LYS 14 0.901 -2.736 -4.453
80 HG3 LYS 14 2HG LYS 14 0.338 -3.286 -2.873
81 HD2 LYS 14 1HD LYS 14 0.121 -5.507 -3.601
82 HD3 LYS 14 2HD LYS 14 0.181 -5.045 -5.303
83 HE2 LYS 14 1HE LYS 14 2.527 -4.411 -3.590
84 HE3 LYS 14 2HE LYS 14 2.272 -6.091 -4.058
85 HZ1 LYS 14 3HZ LYS 14 3.556 -5.319 -5.773
86 HZ2 LYS 14 1HZ LYS 14 2.884 -3.767 -5.747
87 HZ3 LYS 14 2HZ LYS 14 2.011 -5.055 -6.410
88 H CYS 15 H CYS 15 0.417 -0.799 -2.691
89 HA CYS 15 HA CYS 15 0.540 1.616 -4.251
90 HB2 CYS 15 1HB CYS 15 1.245 1.480 -1.853
91 HB3 CYS 15 2HB CYS 15 2.612 0.491 -2.357
92 H GLU 16 H GLU 16 2.499 2.250 -5.446
93 HA GLU 16 HA GLU 16 3.573 -0.040 -6.951
94 HB2 GLU 16 1HB GLU 16 3.163 2.839 -7.765
95 HB3 GLU 16 2HB GLU 16 4.029 1.664 -8.744
96 HG2 GLU 16 1HG GLU 16 1.231 1.132 -7.836
97 HG3 GLU 16 2HG GLU 16 1.552 2.131 -9.252
98 H GLU 17 H GLU 17 4.382 2.664 -4.973
99 HA GLU 17 HA GLU 17 7.124 2.871 -5.749
100 HB2 GLU 17 1HB GLU 17 5.491 3.929 -3.466
101 HB3 GLU 17 2HB GLU 17 7.243 4.075 -3.440
102 HG2 GLU 17 1HG GLU 17 6.269 6.098 -4.296
103 HG3 GLU 17 2HG GLU 17 7.159 5.279 -5.578
104 H CYS 18 H CYS 18 5.417 1.319 -3.054
105 HA CYS 18 HA CYS 18 7.860 -0.243 -2.523
106 HB2 CYS 18 1HB CYS 18 7.102 -0.378 -0.152
107 HB3 CYS 18 2HB CYS 18 7.495 1.259 -0.668
108 H GLY 19 H GLY 19 4.346 -0.215 -2.679
109 HA2 GLY 19 1HA GLY 19 3.259 -2.137 -3.705
110 HA3 GLY 19 2HA GLY 19 4.425 -3.159 -2.878
111 H LYS 20 H LYS 20 3.371 -0.631 -0.917
112 HA LYS 20 HA LYS 20 2.240 -2.259 1.026
113 HB2 LYS 20 1HB LYS 20 2.142 0.674 0.458
114 HB3 LYS 20 2HB LYS 20 1.082 0.017 1.697
115 HG2 LYS 20 1HG LYS 20 3.999 -0.616 1.746
116 HG3 LYS 20 2HG LYS 20 3.415 0.938 2.347
117 HD2 LYS 20 1HD LYS 20 1.842 -0.311 3.830
118 HD3 LYS 20 2HD LYS 20 2.621 -1.808 3.312
119 HE2 LYS 20 1HE LYS 20 4.276 0.426 4.406
120 HE3 LYS 20 2HE LYS 20 3.380 -0.617 5.510
121 HZ1 LYS 20 3HZ LYS 20 5.498 -1.403 3.593
122 HZ2 LYS 20 1HZ LYS 20 4.490 -2.529 4.354
123 HZ3 LYS 20 2HZ LYS 20 5.515 -1.551 5.278
124 H GLY 21 H GLY 21 -0.128 -1.676 1.868
125 HA2 GLY 21 1HA GLY 21 -1.977 -1.921 -0.419
126 HA3 GLY 21 2HA GLY 21 -2.073 -3.029 0.941
127 H PHE 22 H PHE 22 -4.033 -1.088 -0.156
128 HA PHE 22 HA PHE 22 -4.696 0.176 2.392
129 HB2 PHE 22 1HB PHE 22 -4.637 1.670 -0.238
130 HB3 PHE 22 2HB PHE 22 -5.277 2.303 1.275
131 HD1 PHE 22 HD1 PHE 22 -2.194 1.120 -0.390
132 HD2 PHE 22 HD2 PHE 22 -3.865 3.286 2.871
133 HE1 PHE 22 HE1 PHE 22 0.045 1.950 0.202
134 HE2 PHE 22 HE2 PHE 22 -1.629 4.120 3.467
135 HZ PHE 22 HZ PHE 22 0.330 3.452 2.132
136 H ILE 23 H ILE 23 -6.810 0.050 2.872
137 HA ILE 23 HA ILE 23 -8.534 -1.558 1.339
138 HB ILE 23 HB ILE 23 -10.324 -0.775 2.890
139 HG12 ILE 23 1HG1 ILE 23 -9.175 0.545 4.909
140 HG13 ILE 23 2HG1 ILE 23 -8.172 1.158 3.599
141 HG21 ILE 23 1HG2 ILE 23 -9.631 -2.268 4.410
142 HG22 ILE 23 2HG2 ILE 23 -8.226 -2.451 3.361
143 HG23 ILE 23 3HG2 ILE 23 -8.150 -1.374 4.755
144 HD11 ILE 23 3HD1 ILE 23 -9.818 2.731 3.646
145 HD12 ILE 23 1HD1 ILE 23 -10.493 1.608 2.467
146 HD13 ILE 23 2HD1 ILE 23 -11.060 1.580 4.137
147 H CYS 24 H CYS 24 -8.024 1.894 1.444
148 HA CYS 24 HA CYS 24 -9.957 2.190 -0.750
149 HB2 CYS 24 1HB CYS 24 -9.802 3.700 1.808
150 HB3 CYS 24 2HB CYS 24 -10.174 4.617 0.354
151 HG CYS 24 HG CYS 24 -12.218 2.371 -0.105
152 H ARG 25 H ARG 25 -9.608 4.346 -1.908
153 HA ARG 25 HA ARG 25 -6.851 4.461 -2.701
154 HB2 ARG 25 1HB ARG 25 -9.235 6.105 -3.569
155 HB3 ARG 25 2HB ARG 25 -7.645 6.167 -4.319
156 HG2 ARG 25 1HG ARG 25 -7.893 4.142 -5.342
157 HG3 ARG 25 2HG ARG 25 -8.997 3.531 -4.109
158 HD2 ARG 25 1HD ARG 25 -10.198 3.891 -6.174
159 HD3 ARG 25 2HD ARG 25 -10.743 5.047 -4.960
160 HE ARG 25 HE ARG 25 -8.768 6.345 -6.347
161 HH11 ARG 25 1HH1 ARG 25 -11.792 4.818 -7.150
162 HH12 ARG 25 2HH1 ARG 25 -12.109 5.858 -8.498
163 HH21 ARG 25 1HH2 ARG 25 -9.175 7.721 -8.120
164 HH22 ARG 25 2HH2 ARG 25 -10.619 7.509 -9.050
165 H ARG 26 H ARG 26 -9.138 6.802 -1.294
166 HA ARG 26 HA ARG 26 -7.736 9.058 -1.053
167 HB2 ARG 26 1HB ARG 26 -9.394 7.674 1.043
168 HB3 ARG 26 2HB ARG 26 -8.706 9.268 1.319
169 HG2 ARG 26 1HG ARG 26 -10.768 9.848 0.546
170 HG3 ARG 26 2HG ARG 26 -9.874 9.806 -0.975
171 HD2 ARG 26 1HD ARG 26 -10.831 7.806 -1.633
172 HD3 ARG 26 2HD ARG 26 -11.231 7.338 0.019
173 HE ARG 26 HE ARG 26 -12.655 9.662 -0.873
174 HH11 ARG 26 1HH1 ARG 26 -12.609 6.180 -0.867
175 HH12 ARG 26 2HH1 ARG 26 -14.320 6.027 -1.092
176 HH21 ARG 26 1HH2 ARG 26 -14.909 9.473 -1.170
177 HH22 ARG 26 2HH2 ARG 26 -15.627 7.901 -1.266
178 H ASP 27 H ASP 27 -7.336 6.328 1.201
179 HA ASP 27 HA ASP 27 -5.222 7.477 2.668
180 HB2 ASP 27 1HB ASP 27 -6.742 5.375 3.141
181 HB3 ASP 27 2HB ASP 27 -5.432 4.511 2.342
182 H LEU 28 H LEU 28 -5.277 5.393 -0.180
183 HA LEU 28 HA LEU 28 -2.539 4.832 -0.329
184 HB2 LEU 28 1HB LEU 28 -4.034 3.583 -1.674
185 HB3 LEU 28 2HB LEU 28 -4.676 5.038 -2.433
186 HG LEU 28 HG LEU 28 -2.531 5.356 -3.596
187 HD11 LEU 28 1HD1 LEU 28 -1.108 4.235 -1.929
188 HD12 LEU 28 2HD1 LEU 28 -0.838 3.634 -3.564
189 HD13 LEU 28 3HD1 LEU 28 -1.785 2.683 -2.420
190 HD21 LEU 28 3HD2 LEU 28 -4.227 4.215 -4.808
191 HD22 LEU 28 1HD2 LEU 28 -3.918 2.707 -3.947
192 HD23 LEU 28 2HD2 LEU 28 -2.721 3.336 -5.079
193 H TYR 29 H TYR 29 -4.349 7.243 -2.242
194 HA TYR 29 HA TYR 29 -2.312 8.520 -3.501
195 HB2 TYR 29 1HB TYR 29 -4.704 9.852 -2.216
196 HB3 TYR 29 2HB TYR 29 -3.694 10.565 -3.469
197 HD1 TYR 29 HD2 TYR 29 -3.327 8.391 -5.361
198 HD2 TYR 29 HD1 TYR 29 -6.793 9.486 -3.149
199 HE1 TYR 29 HE2 TYR 29 -4.747 7.369 -7.090
200 HE2 TYR 29 HE1 TYR 29 -8.222 8.466 -4.872
201 HH TYR 29 HH TYR 29 -7.039 7.525 -7.920
202 H THR 30 H THR 30 -3.386 9.101 -0.175
203 HA THR 30 HA THR 30 -1.648 11.232 0.399
204 HB THR 30 HB THR 30 -2.711 9.178 2.347
205 HG1 THR 30 HG1 THR 30 -4.577 10.075 1.948
206 HG21 THR 30 3HG2 THR 30 -1.224 10.348 3.632
207 HG22 THR 30 1HG2 THR 30 -2.618 11.418 3.768
208 HG23 THR 30 2HG2 THR 30 -1.326 11.794 2.629
209 H HIS 31 H HIS 31 -1.282 7.733 0.871
210 HA HIS 31 HA HIS 31 1.080 7.614 2.247
211 HB2 HIS 31 1HB HIS 31 -0.090 5.591 1.730
212 HB3 HIS 31 2HB HIS 31 0.091 5.857 -0.002
213 HD1 HIS 31 HD1 HIS 31 2.692 5.809 2.781
214 HD2 HIS 31 HD2 HIS 31 1.826 3.967 -0.841
215 HE1 HIS 31 HE1 HIS 31 4.624 4.262 2.335
216 H HIS 32 H HIS 32 0.700 7.942 -1.272
217 HA HIS 32 HA HIS 32 3.235 7.812 -2.188
218 HB2 HIS 32 1HB HIS 32 1.092 8.455 -3.450
219 HB3 HIS 32 2HB HIS 32 1.473 10.116 -3.004
220 HD1 HIS 32 HD1 HIS 32 1.942 10.881 -5.392
221 HD2 HIS 32 HD2 HIS 32 4.299 7.679 -4.187
222 HE1 HIS 32 HE1 HIS 32 3.717 10.651 -7.159
223 H MET 33 H MET 33 1.971 10.214 -0.044
224 HA MET 33 HA MET 33 3.787 12.295 -0.417
225 HB2 MET 33 1HB MET 33 2.242 11.341 1.978
226 HB3 MET 33 2HB MET 33 3.339 12.711 2.095
227 HG2 MET 33 1HG MET 33 0.835 13.127 1.641
228 HG3 MET 33 2HG MET 33 2.042 14.042 0.739
229 HE1 MET 33 3HE MET 33 1.081 14.683 -1.522
230 HE2 MET 33 1HE MET 33 -0.267 13.801 -2.241
231 HE3 MET 33 2HE MET 33 -0.414 14.459 -0.611
232 H VAL 34 H VAL 34 3.974 9.552 1.849
233 HA VAL 34 HA VAL 34 6.499 10.191 2.904
234 HB VAL 34 HB VAL 34 6.598 7.800 3.601
235 HG11 VAL 34 1HG1 VAL 34 5.582 8.978 5.255
236 HG12 VAL 34 2HG1 VAL 34 4.338 9.624 4.183
237 HG13 VAL 34 3HG1 VAL 34 4.214 7.970 4.783
238 HG21 VAL 34 3HG2 VAL 34 5.104 7.258 1.438
239 HG22 VAL 34 1HG2 VAL 34 5.183 6.202 2.848
240 HG23 VAL 34 2HG2 VAL 34 3.837 7.326 2.662
241 H HIS 35 H HIS 35 5.662 9.168 -0.179
242 HA HIS 35 HA HIS 35 8.221 7.839 -0.673
243 HB2 HIS 35 1HB HIS 35 5.623 8.006 -2.144
244 HB3 HIS 35 2HB HIS 35 7.093 7.663 -3.052
245 HD1 HIS 35 HD1 HIS 35 8.548 5.700 -1.347
246 HD2 HIS 35 HD2 HIS 35 4.416 5.622 -1.777
247 HE1 HIS 35 HE1 HIS 35 7.857 3.349 -0.781
248 H THR 36 H THR 36 6.473 10.775 -1.368
249 HA THR 36 HA THR 36 8.314 11.682 -3.387
250 HB THR 36 HB THR 36 7.078 13.794 -3.312
251 HG1 THR 36 HG1 THR 36 5.102 13.564 -1.797
252 HG21 THR 36 3HG2 THR 36 5.422 11.278 -3.336
253 HG22 THR 36 1HG2 THR 36 6.093 12.151 -4.713
254 HG23 THR 36 2HG2 THR 36 4.771 12.855 -3.781
255 H GLY 37 H GLY 37 7.911 12.066 0.068
256 HA2 GLY 37 1HA GLY 37 9.558 12.714 1.588
257 HA3 GLY 37 2HA GLY 37 10.563 13.231 0.242
258 H GLU 38 H GLU 38 7.289 14.157 1.299
259 HA GLU 38 HA GLU 38 8.107 16.964 1.085
260 HB2 GLU 38 1HB GLU 38 5.977 15.852 -0.017
261 HB3 GLU 38 2HB GLU 38 5.277 16.142 1.569
262 HG2 GLU 38 1HG GLU 38 6.102 18.550 1.275
263 HG3 GLU 38 2HG GLU 38 6.287 18.129 -0.427
264 H LYS 39 H LYS 39 8.989 15.448 3.322
265 HA LYS 39 HA LYS 39 7.605 16.903 5.471
266 HB2 LYS 39 1HB LYS 39 7.768 15.026 6.951
267 HB3 LYS 39 2HB LYS 39 6.999 14.472 5.469
268 HG2 LYS 39 1HG LYS 39 9.429 13.803 4.796
269 HG3 LYS 39 2HG LYS 39 9.715 13.867 6.536
270 HD2 LYS 39 1HD LYS 39 7.495 12.277 5.260
271 HD3 LYS 39 2HD LYS 39 9.081 11.607 5.649
272 HE2 LYS 39 1HE LYS 39 7.858 11.037 7.519
273 HE3 LYS 39 2HE LYS 39 8.593 12.557 8.024
274 HZ1 LYS 39 3HZ LYS 39 5.824 11.911 7.621
275 HZ2 LYS 39 1HZ LYS 39 6.283 13.346 6.852
276 HZ3 LYS 39 2HZ LYS 39 6.521 13.165 8.517
277 HA PRO 40 HA PRO 40 11.616 18.375 6.520
278 HB2 PRO 40 1HB PRO 40 11.186 19.012 9.124
279 HB3 PRO 40 2HB PRO 40 10.541 19.966 7.782
280 HG2 PRO 40 1HG PRO 40 9.178 17.898 9.464
281 HG3 PRO 40 2HG PRO 40 8.570 19.469 8.912
282 HD2 PRO 40 1HD PRO 40 7.893 17.140 7.707
283 HD3 PRO 40 2HD PRO 40 8.039 18.669 6.816
284 H SER 41 H SER 41 13.408 18.007 8.041
285 HA SER 41 HA SER 41 14.203 15.423 8.275
286 HB2 SER 41 1HB SER 41 15.413 17.705 8.855
287 HB3 SER 41 2HB SER 41 14.974 17.261 10.504
288 HG SER 41 HG SER 41 16.133 15.283 8.929
289 H GLY 42 H GLY 42 14.036 13.757 9.721
290 HA2 GLY 42 1HA GLY 42 13.000 13.949 12.331
291 HA3 GLY 42 2HA GLY 42 11.690 13.524 11.239
292 HA PRO 43 HA PRO 43 13.600 9.570 12.624
293 HB2 PRO 43 1HB PRO 43 11.234 8.259 12.860
294 HB3 PRO 43 2HB PRO 43 11.911 9.260 14.151
295 HG2 PRO 43 1HG PRO 43 9.795 9.933 12.143
296 HG3 PRO 43 2HG PRO 43 9.844 10.291 13.879
297 HD2 PRO 43 1HD PRO 43 10.465 12.133 11.994
298 HD3 PRO 43 2HD PRO 43 11.235 12.107 13.593
299 H SER 44 H SER 44 14.037 7.804 11.374
300 HA SER 44 HA SER 44 12.920 7.827 8.665
301 HB2 SER 44 1HB SER 44 15.403 6.542 9.817
302 HB3 SER 44 2HB SER 44 14.853 6.284 8.161
303 HG SER 44 HG SER 44 16.433 8.122 8.820
304 H SER 45 H SER 45 12.597 5.671 7.623
305 HA SER 45 HA SER 45 11.514 3.674 7.498
306 HB2 SER 45 1HB SER 45 12.494 3.279 10.336
307 HB3 SER 45 2HB SER 45 11.918 2.018 9.246
308 HG SER 45 HG SER 45 13.705 2.907 7.824
309 H GLY 46 H GLY 46 9.978 5.902 8.137
310 HA2 GLY 46 1HA GLY 46 8.011 4.793 10.043
311 HA3 GLY 46 2HA GLY 46 8.244 6.513 9.765
Start of MODEL 3
1 H1 GLY 1 H GLY 1 17.854 -12.134 0.149
2 HA2 GLY 1 1HA GLY 1 18.851 -10.829 2.440
3 HA3 GLY 1 2HA GLY 1 17.361 -10.041 1.940
4 H SER 2 H SER 2 15.404 -11.102 2.170
5 HA SER 2 HA SER 2 15.403 -13.806 3.260
6 HB2 SER 2 1HB SER 2 13.993 -13.159 5.177
7 HB3 SER 2 2HB SER 2 15.574 -12.380 5.247
8 HG SER 2 HG SER 2 14.156 -10.770 5.631
9 H SER 3 H SER 3 13.650 -14.962 2.669
10 HA SER 3 HA SER 3 11.397 -13.514 1.446
11 HB2 SER 3 1HB SER 3 11.245 -15.305 -0.259
12 HB3 SER 3 2HB SER 3 12.777 -14.435 -0.347
13 HG SER 3 HG SER 3 13.711 -16.165 0.854
14 H GLY 4 H GLY 4 9.763 -13.815 2.828
15 HA2 GLY 4 1HA GLY 4 9.024 -16.575 3.480
16 HA3 GLY 4 2HA GLY 4 9.241 -15.447 4.810
17 H SER 5 H SER 5 7.927 -13.409 4.661
18 HA SER 5 HA SER 5 5.223 -13.979 4.622
19 HB2 SER 5 1HB SER 5 6.585 -11.893 5.514
20 HB3 SER 5 2HB SER 5 6.104 -11.198 3.966
21 HG SER 5 HG SER 5 4.371 -10.723 5.091
22 H SER 6 H SER 6 4.383 -14.938 2.838
23 HA SER 6 HA SER 6 4.940 -14.024 0.181
24 HB2 SER 6 1HB SER 6 2.875 -15.967 1.238
25 HB3 SER 6 2HB SER 6 3.175 -15.669 -0.474
26 HG SER 6 HG SER 6 5.368 -16.309 1.122
27 H GLY 7 H GLY 7 2.030 -13.974 2.241
28 HA2 GLY 7 1HA GLY 7 0.862 -11.777 2.327
29 HA3 GLY 7 2HA GLY 7 1.040 -11.738 0.579
30 H THR 8 H THR 8 -1.195 -12.092 2.836
31 HA THR 8 HA THR 8 -2.789 -13.939 1.188
32 HB THR 8 HB THR 8 -2.894 -13.798 4.207
33 HG1 THR 8 HG1 THR 8 -1.040 -14.901 3.617
34 HG21 THR 8 3HG2 THR 8 -4.322 -15.541 2.199
35 HG22 THR 8 1HG2 THR 8 -5.047 -14.364 3.293
36 HG23 THR 8 2HG2 THR 8 -4.314 -15.833 3.938
37 H GLY 9 H GLY 9 -2.705 -11.172 3.355
38 HA2 GLY 9 1HA GLY 9 -5.528 -10.617 3.017
39 HA3 GLY 9 2HA GLY 9 -4.369 -9.640 3.907
40 H GLU 10 H GLU 10 -4.872 -10.673 0.527
41 HA GLU 10 HA GLU 10 -3.618 -8.541 -0.705
42 HB2 GLU 10 1HB GLU 10 -4.400 -10.565 -1.880
43 HB3 GLU 10 2HB GLU 10 -6.062 -10.024 -1.688
44 HG2 GLU 10 1HG GLU 10 -5.489 -7.998 -3.010
45 HG3 GLU 10 2HG GLU 10 -3.899 -8.700 -3.304
46 H LYS 11 H LYS 11 -4.395 -6.617 -1.680
47 HA LYS 11 HA LYS 11 -6.916 -5.586 -0.566
48 HB2 LYS 11 1HB LYS 11 -4.318 -4.056 -0.801
49 HB3 LYS 11 2HB LYS 11 -5.851 -3.394 -0.250
50 HG2 LYS 11 1HG LYS 11 -5.662 -5.371 1.497
51 HG3 LYS 11 2HG LYS 11 -3.942 -5.183 1.145
52 HD2 LYS 11 1HD LYS 11 -4.040 -2.840 1.750
53 HD3 LYS 11 2HD LYS 11 -5.784 -2.950 1.999
54 HE2 LYS 11 1HE LYS 11 -5.536 -4.288 3.911
55 HE3 LYS 11 2HE LYS 11 -3.860 -4.676 3.526
56 HZ1 LYS 11 3HZ LYS 11 -3.396 -2.242 3.861
57 HZ2 LYS 11 1HZ LYS 11 -3.796 -3.109 5.258
58 HZ3 LYS 11 2HZ LYS 11 -4.947 -2.109 4.525
59 HA PRO 12 HA PRO 12 -7.903 -4.392 -4.678
60 HB2 PRO 12 1HB PRO 12 -9.531 -2.275 -4.192
61 HB3 PRO 12 2HB PRO 12 -10.018 -3.949 -3.899
62 HG2 PRO 12 1HG PRO 12 -9.017 -1.900 -1.960
63 HG3 PRO 12 2HG PRO 12 -10.353 -3.052 -1.780
64 HD2 PRO 12 1HD PRO 12 -7.912 -3.469 -0.685
65 HD3 PRO 12 2HD PRO 12 -8.943 -4.798 -1.254
66 H TYR 13 H TYR 13 -6.311 -2.233 -2.511
67 HA TYR 13 HA TYR 13 -5.187 -0.786 -4.788
68 HB2 TYR 13 1HB TYR 13 -6.085 0.738 -2.352
69 HB3 TYR 13 2HB TYR 13 -5.627 1.366 -3.932
70 HD1 TYR 13 HD2 TYR 13 -7.169 0.426 -5.919
71 HD2 TYR 13 HD1 TYR 13 -8.329 0.724 -1.836
72 HE1 TYR 13 HE2 TYR 13 -9.532 0.450 -6.598
73 HE2 TYR 13 HE1 TYR 13 -10.696 0.748 -2.504
74 HH TYR 13 HH TYR 13 -11.824 -0.251 -5.308
75 H LYS 14 H LYS 14 -3.068 -1.029 -4.643
76 HA LYS 14 HA LYS 14 -1.784 -0.746 -2.015
77 HB2 LYS 14 1HB LYS 14 -1.825 -3.112 -2.396
78 HB3 LYS 14 2HB LYS 14 -1.274 -2.913 -4.055
79 HG2 LYS 14 1HG LYS 14 0.902 -2.362 -3.383
80 HG3 LYS 14 2HG LYS 14 0.403 -2.066 -1.716
81 HD2 LYS 14 1HD LYS 14 1.456 -4.152 -1.633
82 HD3 LYS 14 2HD LYS 14 -0.264 -4.545 -1.684
83 HE2 LYS 14 1HE LYS 14 0.681 -6.006 -3.232
84 HE3 LYS 14 2HE LYS 14 0.058 -4.693 -4.229
85 HZ1 LYS 14 3HZ LYS 14 2.345 -5.449 -4.802
86 HZ2 LYS 14 1HZ LYS 14 2.873 -4.851 -3.310
87 HZ3 LYS 14 2HZ LYS 14 2.226 -3.796 -4.463
88 H CYS 15 H CYS 15 0.267 0.179 -2.027
89 HA CYS 15 HA CYS 15 0.796 2.131 -3.916
90 HB2 CYS 15 1HB CYS 15 1.759 2.064 -1.629
91 HB3 CYS 15 2HB CYS 15 2.822 0.757 -2.139
92 H GLU 16 H GLU 16 1.883 2.232 -5.802
93 HA GLU 16 HA GLU 16 2.811 -0.303 -6.934
94 HB2 GLU 16 1HB GLU 16 1.785 2.253 -8.059
95 HB3 GLU 16 2HB GLU 16 2.941 1.350 -9.028
96 HG2 GLU 16 1HG GLU 16 1.520 -0.526 -9.157
97 HG3 GLU 16 2HG GLU 16 0.460 0.099 -7.895
98 H GLU 17 H GLU 17 4.286 1.560 -5.015
99 HA GLU 17 HA GLU 17 6.715 1.886 -6.654
100 HB2 GLU 17 1HB GLU 17 5.815 3.497 -4.259
101 HB3 GLU 17 2HB GLU 17 7.384 3.659 -5.037
102 HG2 GLU 17 1HG GLU 17 6.169 5.388 -5.958
103 HG3 GLU 17 2HG GLU 17 6.033 4.122 -7.177
104 H CYS 18 H CYS 18 5.384 0.904 -3.548
105 HA CYS 18 HA CYS 18 7.835 -0.646 -3.066
106 HB2 CYS 18 1HB CYS 18 7.841 -0.085 -0.738
107 HB3 CYS 18 2HB CYS 18 7.756 1.424 -1.640
108 H GLY 19 H GLY 19 4.377 -0.272 -2.617
109 HA2 GLY 19 1HA GLY 19 2.771 -1.950 -2.560
110 HA3 GLY 19 2HA GLY 19 4.061 -3.144 -2.535
111 H LYS 20 H LYS 20 1.849 -1.292 -0.665
112 HA LYS 20 HA LYS 20 2.776 -2.686 1.757
113 HB2 LYS 20 1HB LYS 20 3.286 -0.183 1.684
114 HB3 LYS 20 2HB LYS 20 1.549 0.067 1.795
115 HG2 LYS 20 1HG LYS 20 2.865 -1.683 3.807
116 HG3 LYS 20 2HG LYS 20 3.067 0.066 3.934
117 HD2 LYS 20 1HD LYS 20 0.491 0.138 3.670
118 HD3 LYS 20 2HD LYS 20 0.562 -1.569 4.116
119 HE2 LYS 20 1HE LYS 20 0.306 -0.622 6.183
120 HE3 LYS 20 2HE LYS 20 2.065 -0.650 6.071
121 HZ1 LYS 20 3HZ LYS 20 1.942 1.669 5.246
122 HZ2 LYS 20 1HZ LYS 20 1.390 1.487 6.835
123 HZ3 LYS 20 2HZ LYS 20 0.281 1.668 5.570
124 H GLY 21 H GLY 21 0.072 -1.226 0.016
125 HA2 GLY 21 1HA GLY 21 -2.014 -2.392 -0.185
126 HA3 GLY 21 2HA GLY 21 -1.712 -3.125 1.383
127 H PHE 22 H PHE 22 -3.836 -1.257 0.038
128 HA PHE 22 HA PHE 22 -4.284 0.297 2.469
129 HB2 PHE 22 1HB PHE 22 -4.239 1.488 -0.310
130 HB3 PHE 22 2HB PHE 22 -4.878 2.310 1.110
131 HD1 PHE 22 HD1 PHE 22 -1.851 1.104 -0.562
132 HD2 PHE 22 HD2 PHE 22 -3.416 3.210 2.790
133 HE1 PHE 22 HE1 PHE 22 0.401 1.950 -0.046
134 HE2 PHE 22 HE2 PHE 22 -1.167 4.060 3.310
135 HZ PHE 22 HZ PHE 22 0.745 3.431 1.891
136 H ILE 23 H ILE 23 -6.314 0.078 3.132
137 HA ILE 23 HA ILE 23 -8.255 -1.179 1.373
138 HB ILE 23 HB ILE 23 -9.693 -1.013 3.530
139 HG12 ILE 23 1HG1 ILE 23 -6.983 -0.817 4.826
140 HG13 ILE 23 2HG1 ILE 23 -7.958 0.617 4.528
141 HG21 ILE 23 1HG2 ILE 23 -8.949 -3.123 4.187
142 HG22 ILE 23 2HG2 ILE 23 -8.478 -3.020 2.492
143 HG23 ILE 23 3HG2 ILE 23 -7.275 -2.770 3.757
144 HD11 ILE 23 3HD1 ILE 23 -8.289 -1.522 6.515
145 HD12 ILE 23 1HD1 ILE 23 -8.697 0.191 6.604
146 HD13 ILE 23 2HD1 ILE 23 -9.771 -0.929 5.765
147 H CYS 24 H CYS 24 -7.431 1.614 0.927
148 HA CYS 24 HA CYS 24 -10.047 2.715 0.537
149 HB2 CYS 24 1HB CYS 24 -8.311 3.700 2.745
150 HB3 CYS 24 2HB CYS 24 -9.160 4.906 1.786
151 HG CYS 24 HG CYS 24 -11.110 4.783 3.475
152 H ARG 25 H ARG 25 -9.966 3.628 -1.398
153 HA ARG 25 HA ARG 25 -7.752 3.961 -2.968
154 HB2 ARG 25 1HB ARG 25 -10.471 5.181 -2.977
155 HB3 ARG 25 2HB ARG 25 -9.257 5.869 -4.048
156 HG2 ARG 25 1HG ARG 25 -9.127 3.977 -5.343
157 HG3 ARG 25 2HG ARG 25 -9.689 2.921 -4.045
158 HD2 ARG 25 1HD ARG 25 -11.916 3.519 -4.357
159 HD3 ARG 25 2HD ARG 25 -11.497 5.003 -5.212
160 HE ARG 25 HE ARG 25 -10.619 2.721 -6.650
161 HH11 ARG 25 1HH1 ARG 25 -13.467 4.563 -5.864
162 HH12 ARG 25 2HH1 ARG 25 -14.316 4.110 -7.305
163 HH21 ARG 25 1HH2 ARG 25 -11.727 2.117 -8.550
164 HH22 ARG 25 2HH2 ARG 25 -13.326 2.718 -8.832
165 H ARG 26 H ARG 26 -9.394 6.586 -1.191
166 HA ARG 26 HA ARG 26 -7.595 8.616 -1.766
167 HB2 ARG 26 1HB ARG 26 -9.310 8.157 0.676
168 HB3 ARG 26 2HB ARG 26 -8.402 9.638 0.402
169 HG2 ARG 26 1HG ARG 26 -10.364 8.610 -1.617
170 HG3 ARG 26 2HG ARG 26 -10.871 9.603 -0.248
171 HD2 ARG 26 1HD ARG 26 -10.509 11.241 -1.797
172 HD3 ARG 26 2HD ARG 26 -8.898 11.143 -1.088
173 HE ARG 26 HE ARG 26 -8.108 10.237 -3.055
174 HH11 ARG 26 1HH1 ARG 26 -11.585 10.384 -3.119
175 HH12 ARG 26 2HH1 ARG 26 -11.700 10.018 -4.808
176 HH21 ARG 26 1HH2 ARG 26 -8.246 9.754 -5.280
177 HH22 ARG 26 2HH2 ARG 26 -9.800 9.658 -6.037
178 H ASP 27 H ASP 27 -7.606 6.405 1.021
179 HA ASP 27 HA ASP 27 -5.458 7.349 2.433
180 HB2 ASP 27 1HB ASP 27 -6.964 5.380 3.000
181 HB3 ASP 27 2HB ASP 27 -5.923 4.403 1.969
182 H LEU 28 H LEU 28 -5.349 5.031 -0.266
183 HA LEU 28 HA LEU 28 -2.668 4.489 -0.366
184 HB2 LEU 28 1HB LEU 28 -4.065 3.349 -1.864
185 HB3 LEU 28 2HB LEU 28 -4.696 4.847 -2.546
186 HG LEU 28 HG LEU 28 -2.578 5.247 -3.676
187 HD11 LEU 28 1HD1 LEU 28 -0.719 4.353 -2.862
188 HD12 LEU 28 2HD1 LEU 28 -1.253 2.791 -3.484
189 HD13 LEU 28 3HD1 LEU 28 -1.638 3.259 -1.827
190 HD21 LEU 28 3HD2 LEU 28 -4.060 2.700 -4.089
191 HD22 LEU 28 1HD2 LEU 28 -2.596 2.988 -5.030
192 HD23 LEU 28 2HD2 LEU 28 -3.943 4.123 -5.126
193 H TYR 29 H TYR 29 -4.208 7.032 -2.343
194 HA TYR 29 HA TYR 29 -1.998 8.250 -3.358
195 HB2 TYR 29 1HB TYR 29 -4.617 9.412 -2.440
196 HB3 TYR 29 2HB TYR 29 -3.377 10.423 -3.172
197 HD1 TYR 29 HD1 TYR 29 -5.661 7.584 -3.764
198 HD2 TYR 29 HD2 TYR 29 -2.986 10.386 -5.522
199 HE1 TYR 29 HE1 TYR 29 -6.471 6.946 -5.998
200 HE2 TYR 29 HE2 TYR 29 -3.789 9.758 -7.760
201 HH TYR 29 HH TYR 29 -4.977 7.399 -8.693
202 H THR 30 H THR 30 -3.390 8.756 -0.147
203 HA THR 30 HA THR 30 -1.834 10.878 0.720
204 HB THR 30 HB THR 30 -2.670 8.559 2.466
205 HG1 THR 30 HG1 THR 30 -4.179 10.883 1.800
206 HG21 THR 30 3HG2 THR 30 -1.408 9.911 3.835
207 HG22 THR 30 1HG2 THR 30 -2.998 10.647 4.031
208 HG23 THR 30 2HG2 THR 30 -1.816 11.378 2.945
209 H HIS 31 H HIS 31 -1.096 7.422 0.702
210 HA HIS 31 HA HIS 31 1.267 7.474 2.182
211 HB2 HIS 31 1HB HIS 31 0.244 5.370 1.638
212 HB3 HIS 31 2HB HIS 31 0.410 5.674 -0.089
213 HD1 HIS 31 HD1 HIS 31 2.797 5.431 2.876
214 HD2 HIS 31 HD2 HIS 31 2.496 4.314 -1.114
215 HE1 HIS 31 HE1 HIS 31 4.901 4.148 2.377
216 H HIS 32 H HIS 32 0.645 8.291 -1.165
217 HA HIS 32 HA HIS 32 3.168 8.234 -2.263
218 HB2 HIS 32 1HB HIS 32 0.936 8.876 -3.358
219 HB3 HIS 32 2HB HIS 32 1.260 10.508 -2.780
220 HD1 HIS 32 HD1 HIS 32 2.282 11.910 -4.525
221 HD2 HIS 32 HD2 HIS 32 3.415 7.931 -4.901
222 HE1 HIS 32 HE1 HIS 32 3.789 11.827 -6.537
223 H MET 33 H MET 33 2.023 10.219 0.271
224 HA MET 33 HA MET 33 3.623 12.496 -0.014
225 HB2 MET 33 1HB MET 33 2.476 11.119 2.408
226 HB3 MET 33 2HB MET 33 3.408 12.605 2.535
227 HG2 MET 33 1HG MET 33 0.911 12.292 0.886
228 HG3 MET 33 2HG MET 33 0.962 12.953 2.518
229 HE1 MET 33 3HE MET 33 -0.043 13.748 -0.272
230 HE2 MET 33 1HE MET 33 -0.019 15.498 -0.056
231 HE3 MET 33 2HE MET 33 1.015 14.746 -1.271
232 H VAL 34 H VAL 34 4.229 9.636 2.037
233 HA VAL 34 HA VAL 34 6.840 10.339 2.770
234 HB VAL 34 HB VAL 34 7.137 8.042 3.470
235 HG11 VAL 34 1HG1 VAL 34 4.695 7.804 4.565
236 HG12 VAL 34 2HG1 VAL 34 5.909 8.950 5.137
237 HG13 VAL 34 3HG1 VAL 34 4.630 9.489 4.048
238 HG21 VAL 34 3HG2 VAL 34 6.331 6.406 2.194
239 HG22 VAL 34 1HG2 VAL 34 4.730 6.771 2.840
240 HG23 VAL 34 2HG2 VAL 34 5.268 7.523 1.338
241 H HIS 35 H HIS 35 5.644 9.380 -0.227
242 HA HIS 35 HA HIS 35 8.214 8.289 -1.117
243 HB2 HIS 35 1HB HIS 35 5.418 8.172 -2.146
244 HB3 HIS 35 2HB HIS 35 6.731 8.067 -3.315
245 HD1 HIS 35 HD1 HIS 35 8.575 6.111 -2.663
246 HD2 HIS 35 HD2 HIS 35 4.754 5.784 -1.066
247 HE1 HIS 35 HE1 HIS 35 8.343 3.707 -1.962
248 H THR 36 H THR 36 7.507 11.188 -0.520
249 HA THR 36 HA THR 36 7.883 12.406 -3.148
250 HB THR 36 HB THR 36 7.540 14.550 -2.025
251 HG1 THR 36 HG1 THR 36 7.795 12.941 0.255
252 HG21 THR 36 3HG2 THR 36 5.215 14.012 -1.027
253 HG22 THR 36 1HG2 THR 36 5.554 12.357 -1.532
254 HG23 THR 36 2HG2 THR 36 5.506 13.651 -2.729
255 H GLY 37 H GLY 37 9.610 11.733 -0.199
256 HA2 GLY 37 1HA GLY 37 12.059 12.728 -1.469
257 HA3 GLY 37 2HA GLY 37 11.646 13.344 0.124
258 H GLU 38 H GLU 38 12.949 12.440 1.570
259 HA GLU 38 HA GLU 38 14.173 9.899 1.199
260 HB2 GLU 38 1HB GLU 38 13.976 11.675 3.636
261 HB3 GLU 38 2HB GLU 38 14.962 10.222 3.549
262 HG2 GLU 38 1HG GLU 38 15.332 12.349 1.500
263 HG3 GLU 38 2HG GLU 38 16.003 12.576 3.115
264 H LYS 39 H LYS 39 13.862 7.978 2.373
265 HA LYS 39 HA LYS 39 11.094 7.517 3.125
266 HB2 LYS 39 1HB LYS 39 13.454 5.689 2.701
267 HB3 LYS 39 2HB LYS 39 11.913 5.111 3.320
268 HG2 LYS 39 1HG LYS 39 10.832 5.430 1.319
269 HG3 LYS 39 2HG LYS 39 11.969 6.668 0.779
270 HD2 LYS 39 1HD LYS 39 12.906 3.857 1.185
271 HD3 LYS 39 2HD LYS 39 12.030 4.288 -0.286
272 HE2 LYS 39 1HE LYS 39 14.526 5.649 0.724
273 HE3 LYS 39 2HE LYS 39 14.474 4.441 -0.560
274 HZ1 LYS 39 3HZ LYS 39 12.629 6.351 -1.274
275 HZ2 LYS 39 1HZ LYS 39 14.159 6.116 -1.956
276 HZ3 LYS 39 2HZ LYS 39 13.955 7.231 -0.700
277 HA PRO 40 HA PRO 40 11.703 7.660 7.475
278 HB2 PRO 40 1HB PRO 40 9.787 5.916 8.284
279 HB3 PRO 40 2HB PRO 40 9.417 7.529 7.663
280 HG2 PRO 40 1HG PRO 40 9.323 4.889 6.255
281 HG3 PRO 40 2HG PRO 40 8.166 6.231 6.193
282 HD2 PRO 40 1HD PRO 40 9.999 5.797 4.248
283 HD3 PRO 40 2HD PRO 40 9.438 7.424 4.685
284 H SER 41 H SER 41 13.061 6.711 8.871
285 HA SER 41 HA SER 41 14.715 4.656 8.389
286 HB2 SER 41 1HB SER 41 15.094 4.434 10.765
287 HB3 SER 41 2HB SER 41 14.770 6.132 10.414
288 HG SER 41 HG SER 41 12.940 6.019 11.487
289 H GLY 42 H GLY 42 14.639 2.510 8.164
290 HA2 GLY 42 1HA GLY 42 13.913 0.321 8.478
291 HA3 GLY 42 2HA GLY 42 12.603 0.928 9.480
292 HA PRO 43 HA PRO 43 11.234 1.233 4.824
293 HB2 PRO 43 1HB PRO 43 12.630 -0.355 3.121
294 HB3 PRO 43 2HB PRO 43 13.067 1.327 3.442
295 HG2 PRO 43 1HG PRO 43 14.226 -1.183 4.590
296 HG3 PRO 43 2HG PRO 43 15.059 0.274 4.018
297 HD2 PRO 43 1HD PRO 43 14.611 -0.211 6.644
298 HD3 PRO 43 2HD PRO 43 14.644 1.430 5.968
299 H SER 44 H SER 44 9.641 0.011 6.064
300 HA SER 44 HA SER 44 9.709 -2.877 5.891
301 HB2 SER 44 1HB SER 44 8.782 -1.555 7.865
302 HB3 SER 44 2HB SER 44 7.396 -1.184 6.840
303 HG SER 44 HG SER 44 7.410 -3.629 6.557
304 H SER 45 H SER 45 9.421 -3.609 3.858
305 HA SER 45 HA SER 45 6.985 -2.732 2.448
306 HB2 SER 45 1HB SER 45 9.748 -3.264 1.403
307 HB3 SER 45 2HB SER 45 8.351 -3.496 0.353
308 HG SER 45 HG SER 45 7.867 -1.218 1.340
309 H GLY 46 H GLY 46 5.603 -4.281 1.795
310 HA2 GLY 46 1HA GLY 46 6.441 -7.009 1.397
311 HA3 GLY 46 2HA GLY 46 5.494 -6.781 2.860
Start of MODEL 4
1 H1 GLY 1 H GLY 1 7.251 -17.601 9.881
2 HA2 GLY 1 1HA GLY 1 6.326 -15.828 11.893
3 HA3 GLY 1 2HA GLY 1 6.626 -14.945 10.404
4 H SER 2 H SER 2 4.171 -15.939 12.046
5 HA SER 2 HA SER 2 2.744 -17.463 10.030
6 HB2 SER 2 1HB SER 2 2.407 -17.996 12.407
7 HB3 SER 2 2HB SER 2 1.802 -16.364 12.690
8 HG SER 2 HG SER 2 0.577 -17.850 10.679
9 H SER 3 H SER 3 3.567 -14.974 9.092
10 HA SER 3 HA SER 3 1.779 -12.869 9.323
11 HB2 SER 3 1HB SER 3 2.568 -12.204 7.037
12 HB3 SER 3 2HB SER 3 3.874 -12.573 8.162
13 HG SER 3 HG SER 3 3.764 -14.762 7.185
14 H GLY 4 H GLY 4 1.819 -15.289 6.693
15 HA2 GLY 4 1HA GLY 4 -1.007 -14.658 6.181
16 HA3 GLY 4 2HA GLY 4 0.085 -15.452 5.055
17 H SER 5 H SER 5 -2.585 -16.027 6.677
18 HA SER 5 HA SER 5 -1.868 -18.827 7.251
19 HB2 SER 5 1HB SER 5 -3.589 -16.914 8.787
20 HB3 SER 5 2HB SER 5 -3.945 -18.640 8.846
21 HG SER 5 HG SER 5 -2.533 -18.111 10.512
22 H SER 6 H SER 6 -4.629 -16.703 6.500
23 HA SER 6 HA SER 6 -5.444 -18.338 4.304
24 HB2 SER 6 1HB SER 6 -6.265 -19.664 6.280
25 HB3 SER 6 2HB SER 6 -7.303 -18.299 6.691
26 HG SER 6 HG SER 6 -8.613 -19.430 5.437
27 H GLY 7 H GLY 7 -6.042 -16.850 2.883
28 HA2 GLY 7 1HA GLY 7 -7.029 -14.997 1.956
29 HA3 GLY 7 2HA GLY 7 -8.216 -15.119 3.246
30 H THR 8 H THR 8 -8.410 -13.300 4.348
31 HA THR 8 HA THR 8 -7.923 -11.154 5.044
32 HB THR 8 HB THR 8 -5.562 -12.565 6.292
33 HG1 THR 8 HG1 THR 8 -7.146 -13.808 7.029
34 HG21 THR 8 3HG2 THR 8 -6.629 -9.927 6.515
35 HG22 THR 8 1HG2 THR 8 -5.253 -10.635 7.360
36 HG23 THR 8 2HG2 THR 8 -6.872 -10.769 8.045
37 H GLY 9 H GLY 9 -6.933 -11.530 2.440
38 HA2 GLY 9 1HA GLY 9 -4.809 -9.546 2.458
39 HA3 GLY 9 2HA GLY 9 -4.380 -11.100 1.759
40 H GLU 10 H GLU 10 -3.996 -9.853 -0.200
41 HA GLU 10 HA GLU 10 -4.559 -9.224 -2.312
42 HB2 GLU 10 1HB GLU 10 -5.996 -11.373 -1.976
43 HB3 GLU 10 2HB GLU 10 -7.344 -10.249 -1.883
44 HG2 GLU 10 1HG GLU 10 -6.883 -9.427 -4.092
45 HG3 GLU 10 2HG GLU 10 -5.417 -10.401 -4.187
46 H LYS 11 H LYS 11 -4.567 -7.155 -0.712
47 HA LYS 11 HA LYS 11 -6.883 -5.731 -0.212
48 HB2 LYS 11 1HB LYS 11 -4.171 -4.662 -1.014
49 HB3 LYS 11 2HB LYS 11 -5.459 -3.701 -0.299
50 HG2 LYS 11 1HG LYS 11 -4.285 -6.107 1.063
51 HG3 LYS 11 2HG LYS 11 -3.634 -4.479 1.260
52 HD2 LYS 11 1HD LYS 11 -6.550 -4.950 1.690
53 HD3 LYS 11 2HD LYS 11 -5.404 -5.419 2.948
54 HE2 LYS 11 1HE LYS 11 -5.189 -2.700 1.750
55 HE3 LYS 11 2HE LYS 11 -6.485 -3.016 2.903
56 HZ1 LYS 11 3HZ LYS 11 -4.085 -2.218 3.644
57 HZ2 LYS 11 1HZ LYS 11 -3.808 -3.887 3.660
58 HZ3 LYS 11 2HZ LYS 11 -5.040 -3.225 4.611
59 HA PRO 12 HA PRO 12 -8.515 -4.480 -4.093
60 HB2 PRO 12 1HB PRO 12 -9.618 -2.090 -3.429
61 HB3 PRO 12 2HB PRO 12 -10.306 -3.639 -2.925
62 HG2 PRO 12 1HG PRO 12 -8.576 -1.742 -1.384
63 HG3 PRO 12 2HG PRO 12 -10.017 -2.629 -0.850
64 HD2 PRO 12 1HD PRO 12 -7.503 -3.443 -0.259
65 HD3 PRO 12 2HD PRO 12 -8.842 -4.582 -0.508
66 H TYR 13 H TYR 13 -6.414 -2.256 -2.363
67 HA TYR 13 HA TYR 13 -5.370 -1.316 -4.933
68 HB2 TYR 13 1HB TYR 13 -5.892 0.608 -2.671
69 HB3 TYR 13 2HB TYR 13 -5.456 0.981 -4.334
70 HD1 TYR 13 HD2 TYR 13 -7.144 0.551 -6.157
71 HD2 TYR 13 HD1 TYR 13 -8.152 0.382 -2.027
72 HE1 TYR 13 HE2 TYR 13 -9.524 0.783 -6.734
73 HE2 TYR 13 HE1 TYR 13 -10.535 0.612 -2.592
74 HH TYR 13 HH TYR 13 -11.838 1.672 -4.673
75 H LYS 14 H LYS 14 -3.222 -1.372 -4.994
76 HA LYS 14 HA LYS 14 -1.749 -1.406 -2.441
77 HB2 LYS 14 1HB LYS 14 -1.692 -3.625 -3.373
78 HB3 LYS 14 2HB LYS 14 -1.235 -3.003 -4.953
79 HG2 LYS 14 1HG LYS 14 0.891 -2.191 -3.946
80 HG3 LYS 14 2HG LYS 14 0.434 -3.008 -2.449
81 HD2 LYS 14 1HD LYS 14 0.644 -4.411 -5.107
82 HD3 LYS 14 2HD LYS 14 1.982 -4.298 -3.961
83 HE2 LYS 14 1HE LYS 14 0.575 -5.398 -2.259
84 HE3 LYS 14 2HE LYS 14 -0.710 -5.563 -3.455
85 HZ1 LYS 14 3HZ LYS 14 1.642 -6.605 -4.550
86 HZ2 LYS 14 1HZ LYS 14 0.224 -7.431 -4.141
87 HZ3 LYS 14 2HZ LYS 14 1.464 -7.265 -3.003
88 H CYS 15 H CYS 15 0.290 -0.408 -2.402
89 HA CYS 15 HA CYS 15 0.519 1.886 -4.080
90 HB2 CYS 15 1HB CYS 15 1.243 2.055 -1.794
91 HB3 CYS 15 2HB CYS 15 2.362 0.709 -1.994
92 H GLU 16 H GLU 16 2.230 2.419 -5.507
93 HA GLU 16 HA GLU 16 3.275 0.092 -6.933
94 HB2 GLU 16 1HB GLU 16 2.066 1.792 -8.230
95 HB3 GLU 16 2HB GLU 16 3.223 3.012 -7.717
96 HG2 GLU 16 1HG GLU 16 4.986 1.482 -8.800
97 HG3 GLU 16 2HG GLU 16 3.612 0.724 -9.602
98 H GLU 17 H GLU 17 4.339 2.935 -5.178
99 HA GLU 17 HA GLU 17 7.058 2.873 -5.873
100 HB2 GLU 17 1HB GLU 17 5.597 3.910 -3.452
101 HB3 GLU 17 2HB GLU 17 7.343 4.044 -3.609
102 HG2 GLU 17 1HG GLU 17 5.286 5.219 -5.464
103 HG3 GLU 17 2HG GLU 17 6.275 6.095 -4.298
104 H CYS 18 H CYS 18 5.303 1.342 -3.197
105 HA CYS 18 HA CYS 18 7.552 -0.524 -2.896
106 HB2 CYS 18 1HB CYS 18 7.361 -0.444 -0.469
107 HB3 CYS 18 2HB CYS 18 7.692 1.166 -1.099
108 H GLY 19 H GLY 19 4.130 0.160 -2.454
109 HA2 GLY 19 1HA GLY 19 2.323 -1.263 -2.678
110 HA3 GLY 19 2HA GLY 19 3.445 -2.557 -3.070
111 H LYS 20 H LYS 20 1.868 -0.814 -0.467
112 HA LYS 20 HA LYS 20 2.722 -2.884 1.434
113 HB2 LYS 20 1HB LYS 20 3.063 -0.427 1.963
114 HB3 LYS 20 2HB LYS 20 1.313 -0.292 2.074
115 HG2 LYS 20 1HG LYS 20 1.303 -1.946 3.877
116 HG3 LYS 20 2HG LYS 20 3.061 -2.064 3.771
117 HD2 LYS 20 1HD LYS 20 3.199 0.362 4.287
118 HD3 LYS 20 2HD LYS 20 1.450 0.374 4.522
119 HE2 LYS 20 1HE LYS 20 1.624 -1.143 6.366
120 HE3 LYS 20 2HE LYS 20 3.339 -1.406 6.053
121 HZ1 LYS 20 3HZ LYS 20 2.311 1.290 6.670
122 HZ2 LYS 20 1HZ LYS 20 3.884 0.691 6.835
123 HZ3 LYS 20 2HZ LYS 20 2.676 0.199 7.910
124 H GLY 21 H GLY 21 -0.140 -1.268 0.129
125 HA2 GLY 21 1HA GLY 21 -2.096 -2.636 -0.337
126 HA3 GLY 21 2HA GLY 21 -1.746 -3.532 1.133
127 H PHE 22 H PHE 22 -3.811 -1.374 -0.151
128 HA PHE 22 HA PHE 22 -4.541 -0.351 2.498
129 HB2 PHE 22 1HB PHE 22 -4.461 1.339 -0.010
130 HB3 PHE 22 2HB PHE 22 -5.027 1.866 1.572
131 HD1 PHE 22 HD1 PHE 22 -2.080 0.925 -0.406
132 HD2 PHE 22 HD2 PHE 22 -3.495 2.463 3.302
133 HE1 PHE 22 HE1 PHE 22 0.206 1.628 0.171
134 HE2 PHE 22 HE2 PHE 22 -1.212 3.170 3.884
135 HZ PHE 22 HZ PHE 22 0.642 2.753 2.318
136 H ILE 23 H ILE 23 -6.793 0.478 2.558
137 HA ILE 23 HA ILE 23 -8.507 -1.264 0.956
138 HB ILE 23 HB ILE 23 -9.231 0.432 3.347
139 HG12 ILE 23 1HG1 ILE 23 -8.770 -2.554 3.232
140 HG13 ILE 23 2HG1 ILE 23 -7.564 -1.400 3.792
141 HG21 ILE 23 1HG2 ILE 23 -11.040 -1.625 3.167
142 HG22 ILE 23 2HG2 ILE 23 -11.310 0.034 2.635
143 HG23 ILE 23 3HG2 ILE 23 -10.775 -1.186 1.479
144 HD11 ILE 23 3HD1 ILE 23 -8.705 -2.419 5.660
145 HD12 ILE 23 1HD1 ILE 23 -9.086 -0.699 5.577
146 HD13 ILE 23 2HD1 ILE 23 -10.263 -1.892 5.025
147 H CYS 24 H CYS 24 -8.477 2.134 2.042
148 HA CYS 24 HA CYS 24 -10.302 2.833 -0.125
149 HB2 CYS 24 1HB CYS 24 -9.249 4.372 2.249
150 HB3 CYS 24 2HB CYS 24 -10.223 5.117 0.987
151 HG CYS 24 HG CYS 24 -11.458 2.362 2.525
152 H ARG 25 H ARG 25 -9.818 4.287 -1.755
153 HA ARG 25 HA ARG 25 -7.198 4.256 -2.759
154 HB2 ARG 25 1HB ARG 25 -9.560 6.010 -3.446
155 HB3 ARG 25 2HB ARG 25 -8.054 6.008 -4.354
156 HG2 ARG 25 1HG ARG 25 -8.398 3.571 -4.770
157 HG3 ARG 25 2HG ARG 25 -9.991 3.731 -4.028
158 HD2 ARG 25 1HD ARG 25 -10.709 5.249 -5.719
159 HD3 ARG 25 2HD ARG 25 -9.075 5.393 -6.365
160 HE ARG 25 HE ARG 25 -9.688 2.733 -6.577
161 HH11 ARG 25 1HH1 ARG 25 -11.097 5.709 -7.709
162 HH12 ARG 25 2HH1 ARG 25 -11.767 5.000 -9.140
163 HH21 ARG 25 1HH2 ARG 25 -10.566 1.787 -8.458
164 HH22 ARG 25 2HH2 ARG 25 -11.466 2.769 -9.565
165 H ARG 26 H ARG 26 -9.048 6.997 -1.414
166 HA ARG 26 HA ARG 26 -7.279 9.016 -1.498
167 HB2 ARG 26 1HB ARG 26 -9.583 8.859 -0.312
168 HB3 ARG 26 2HB ARG 26 -8.643 8.450 1.117
169 HG2 ARG 26 1HG ARG 26 -8.972 10.745 1.288
170 HG3 ARG 26 2HG ARG 26 -7.335 10.597 0.645
171 HD2 ARG 26 1HD ARG 26 -8.557 10.748 -1.665
172 HD3 ARG 26 2HD ARG 26 -9.839 11.491 -0.711
173 HE ARG 26 HE ARG 26 -7.292 12.641 -1.390
174 HH11 ARG 26 1HH1 ARG 26 -9.964 12.700 0.841
175 HH12 ARG 26 2HH1 ARG 26 -9.683 14.336 1.336
176 HH21 ARG 26 1HH2 ARG 26 -6.912 14.796 -0.746
177 HH22 ARG 26 2HH2 ARG 26 -7.948 15.528 0.432
178 H ASP 27 H ASP 27 -7.214 6.399 0.895
179 HA ASP 27 HA ASP 27 -5.076 7.307 2.436
180 HB2 ASP 27 1HB ASP 27 -6.695 5.239 2.702
181 HB3 ASP 27 2HB ASP 27 -5.380 4.381 1.904
182 H LEU 28 H LEU 28 -5.048 5.134 -0.381
183 HA LEU 28 HA LEU 28 -2.356 4.574 -0.515
184 HB2 LEU 28 1HB LEU 28 -3.815 3.452 -1.988
185 HB3 LEU 28 2HB LEU 28 -4.406 4.964 -2.674
186 HG LEU 28 HG LEU 28 -2.241 5.305 -3.773
187 HD11 LEU 28 1HD1 LEU 28 -1.540 2.591 -2.663
188 HD12 LEU 28 2HD1 LEU 28 -0.840 4.126 -2.151
189 HD13 LEU 28 3HD1 LEU 28 -0.571 3.538 -3.792
190 HD21 LEU 28 3HD2 LEU 28 -3.856 2.848 -4.261
191 HD22 LEU 28 1HD2 LEU 28 -2.391 3.114 -5.207
192 HD23 LEU 28 2HD2 LEU 28 -3.692 4.305 -5.243
193 H TYR 29 H TYR 29 -3.957 7.129 -2.425
194 HA TYR 29 HA TYR 29 -1.739 8.368 -3.443
195 HB2 TYR 29 1HB TYR 29 -4.435 9.407 -2.642
196 HB3 TYR 29 2HB TYR 29 -3.205 10.525 -3.221
197 HD1 TYR 29 HD1 TYR 29 -4.677 7.226 -4.203
198 HD2 TYR 29 HD2 TYR 29 -3.232 11.023 -5.468
199 HE1 TYR 29 HE1 TYR 29 -5.278 6.675 -6.523
200 HE2 TYR 29 HE2 TYR 29 -3.831 10.483 -7.792
201 HH TYR 29 HH TYR 29 -5.596 8.854 -8.907
202 H THR 30 H THR 30 -3.273 8.992 -0.304
203 HA THR 30 HA THR 30 -1.688 11.103 0.551
204 HB THR 30 HB THR 30 -2.828 8.889 2.268
205 HG1 THR 30 HG1 THR 30 -4.341 10.092 0.901
206 HG21 THR 30 3HG2 THR 30 -1.166 11.076 2.939
207 HG22 THR 30 1HG2 THR 30 -1.999 9.970 4.030
208 HG23 THR 30 2HG2 THR 30 -2.788 11.460 3.515
209 H HIS 31 H HIS 31 -1.197 7.623 1.154
210 HA HIS 31 HA HIS 31 1.144 7.747 2.603
211 HB2 HIS 31 1HB HIS 31 0.268 5.610 2.472
212 HB3 HIS 31 2HB HIS 31 -0.014 5.718 0.737
213 HD1 HIS 31 HD1 HIS 31 3.011 5.611 3.053
214 HD2 HIS 31 HD2 HIS 31 1.765 4.261 -0.674
215 HE1 HIS 31 HE1 HIS 31 4.911 4.219 2.172
216 H HIS 32 H HIS 32 0.703 7.927 -0.889
217 HA HIS 32 HA HIS 32 3.290 7.656 -1.785
218 HB2 HIS 32 1HB HIS 32 1.020 8.172 -3.039
219 HB3 HIS 32 2HB HIS 32 1.609 9.830 -2.962
220 HD1 HIS 32 HD1 HIS 32 3.477 10.484 -4.545
221 HD2 HIS 32 HD2 HIS 32 2.625 6.418 -4.618
222 HE1 HIS 32 HE1 HIS 32 4.750 9.566 -6.509
223 H MET 33 H MET 33 1.997 10.125 0.194
224 HA MET 33 HA MET 33 3.601 12.312 -0.442
225 HB2 MET 33 1HB MET 33 2.268 11.395 2.082
226 HB3 MET 33 2HB MET 33 3.321 12.803 2.107
227 HG2 MET 33 1HG MET 33 1.837 13.562 0.088
228 HG3 MET 33 2HG MET 33 0.684 12.427 0.786
229 HE1 MET 33 3HE MET 33 1.193 13.638 4.479
230 HE2 MET 33 1HE MET 33 -0.408 13.317 3.811
231 HE3 MET 33 2HE MET 33 0.944 12.259 3.406
232 H VAL 34 H VAL 34 4.238 9.561 1.690
233 HA VAL 34 HA VAL 34 6.749 10.510 2.627
234 HB VAL 34 HB VAL 34 7.106 8.255 3.476
235 HG11 VAL 34 1HG1 VAL 34 5.311 9.970 4.395
236 HG12 VAL 34 2HG1 VAL 34 4.206 8.658 3.979
237 HG13 VAL 34 3HG1 VAL 34 5.525 8.375 5.116
238 HG21 VAL 34 3HG2 VAL 34 4.694 6.944 2.846
239 HG22 VAL 34 1HG2 VAL 34 5.356 7.548 1.326
240 HG23 VAL 34 2HG2 VAL 34 6.329 6.499 2.358
241 H HIS 35 H HIS 35 5.731 9.025 -0.286
242 HA HIS 35 HA HIS 35 8.357 8.000 -0.969
243 HB2 HIS 35 1HB HIS 35 5.661 7.971 -2.267
244 HB3 HIS 35 2HB HIS 35 7.090 7.678 -3.254
245 HD1 HIS 35 HD1 HIS 35 8.758 5.825 -1.686
246 HD2 HIS 35 HD2 HIS 35 4.611 5.568 -1.654
247 HE1 HIS 35 HE1 HIS 35 8.236 3.468 -0.982
248 H THR 36 H THR 36 6.390 10.809 -1.575
249 HA THR 36 HA THR 36 8.453 11.850 -3.404
250 HB THR 36 HB THR 36 6.220 11.721 -4.423
251 HG1 THR 36 HG1 THR 36 7.011 14.405 -3.867
252 HG21 THR 36 3HG2 THR 36 4.653 11.932 -2.725
253 HG22 THR 36 1HG2 THR 36 4.561 13.508 -3.510
254 HG23 THR 36 2HG2 THR 36 5.466 13.322 -2.007
255 H GLY 37 H GLY 37 8.263 11.859 -0.364
256 HA2 GLY 37 1HA GLY 37 8.339 14.783 0.034
257 HA3 GLY 37 2HA GLY 37 7.990 13.614 1.299
258 H GLU 38 H GLU 38 9.974 15.679 1.388
259 HA GLU 38 HA GLU 38 12.360 13.992 1.720
260 HB2 GLU 38 1HB GLU 38 12.459 15.500 -0.328
261 HB3 GLU 38 2HB GLU 38 12.489 16.857 0.788
262 HG2 GLU 38 1HG GLU 38 14.522 15.829 1.833
263 HG3 GLU 38 2HG GLU 38 14.531 14.671 0.504
264 H LYS 39 H LYS 39 10.691 14.383 3.794
265 HA LYS 39 HA LYS 39 12.078 16.400 5.436
266 HB2 LYS 39 1HB LYS 39 9.972 16.482 6.802
267 HB3 LYS 39 2HB LYS 39 9.817 17.128 5.173
268 HG2 LYS 39 1HG LYS 39 8.980 14.751 4.576
269 HG3 LYS 39 2HG LYS 39 8.717 14.597 6.315
270 HD2 LYS 39 1HD LYS 39 6.674 15.401 5.616
271 HD3 LYS 39 2HD LYS 39 7.507 16.898 6.039
272 HE2 LYS 39 1HE LYS 39 7.717 15.861 3.252
273 HE3 LYS 39 2HE LYS 39 6.227 16.656 3.756
274 HZ1 LYS 39 3HZ LYS 39 7.328 18.491 3.124
275 HZ2 LYS 39 1HZ LYS 39 8.855 17.781 3.284
276 HZ3 LYS 39 2HZ LYS 39 8.054 18.380 4.648
277 HA PRO 40 HA PRO 40 13.369 13.081 8.023
278 HB2 PRO 40 1HB PRO 40 13.801 14.464 10.319
279 HB3 PRO 40 2HB PRO 40 14.877 14.565 8.921
280 HG2 PRO 40 1HG PRO 40 12.713 16.444 9.785
281 HG3 PRO 40 2HG PRO 40 14.339 16.812 9.181
282 HD2 PRO 40 1HD PRO 40 12.134 16.968 7.618
283 HD3 PRO 40 2HD PRO 40 13.726 16.510 6.980
284 H SER 41 H SER 41 11.390 11.916 8.115
285 HA SER 41 HA SER 41 9.892 12.356 10.611
286 HB2 SER 41 1HB SER 41 8.706 11.428 7.984
287 HB3 SER 41 2HB SER 41 7.831 11.676 9.495
288 HG SER 41 HG SER 41 7.527 13.541 8.443
289 H GLY 42 H GLY 42 9.691 10.622 11.895
290 HA2 GLY 42 1HA GLY 42 11.193 8.396 11.819
291 HA3 GLY 42 2HA GLY 42 9.586 8.393 12.531
292 HA PRO 43 HA PRO 43 9.981 5.813 8.478
293 HB2 PRO 43 1HB PRO 43 10.811 3.416 9.446
294 HB3 PRO 43 2HB PRO 43 11.928 4.654 8.859
295 HG2 PRO 43 1HG PRO 43 11.140 3.995 11.671
296 HG3 PRO 43 2HG PRO 43 12.747 4.360 11.015
297 HD2 PRO 43 1HD PRO 43 11.267 6.193 12.351
298 HD3 PRO 43 2HD PRO 43 12.377 6.635 11.038
299 H SER 44 H SER 44 8.772 3.713 8.073
300 HA SER 44 HA SER 44 6.260 3.837 9.446
301 HB2 SER 44 1HB SER 44 6.581 3.348 6.973
302 HB3 SER 44 2HB SER 44 7.118 1.737 7.450
303 HG SER 44 HG SER 44 5.121 1.269 8.176
304 H SER 45 H SER 45 5.193 1.648 10.038
305 HA SER 45 HA SER 45 6.035 0.694 12.378
306 HB2 SER 45 1HB SER 45 4.685 -0.784 10.131
307 HB3 SER 45 2HB SER 45 5.024 -1.582 11.667
308 HG SER 45 HG SER 45 3.752 0.912 11.694
309 H GLY 46 H GLY 46 7.100 -0.649 9.259
310 HA2 GLY 46 1HA GLY 46 9.735 -1.056 9.861
311 HA3 GLY 46 2HA GLY 46 8.931 -2.487 10.490
Start of MODEL 5
1 H1 GLY 1 H GLY 1 11.286 -20.143 15.439
2 HA2 GLY 1 1HA GLY 1 11.988 -17.514 16.408
3 HA3 GLY 1 2HA GLY 1 13.259 -18.291 15.477
4 H SER 2 H SER 2 9.836 -17.370 15.328
5 HA SER 2 HA SER 2 10.231 -16.657 12.514
6 HB2 SER 2 1HB SER 2 8.273 -17.789 11.774
7 HB3 SER 2 2HB SER 2 9.168 -18.961 12.741
8 HG SER 2 HG SER 2 6.878 -18.830 13.208
9 H SER 3 H SER 3 8.420 -15.300 11.677
10 HA SER 3 HA SER 3 7.666 -13.367 13.729
11 HB2 SER 3 1HB SER 3 8.786 -12.691 11.551
12 HB3 SER 3 2HB SER 3 7.273 -13.104 10.744
13 HG SER 3 HG SER 3 7.061 -10.990 11.197
14 H GLY 4 H GLY 4 5.468 -12.291 13.403
15 HA2 GLY 4 1HA GLY 4 3.451 -14.227 13.803
16 HA3 GLY 4 2HA GLY 4 3.190 -12.501 13.597
17 H SER 5 H SER 5 1.844 -15.011 12.531
18 HA SER 5 HA SER 5 2.209 -15.442 9.858
19 HB2 SER 5 1HB SER 5 0.514 -16.568 11.338
20 HB3 SER 5 2HB SER 5 -0.516 -15.150 11.140
21 HG SER 5 HG SER 5 -0.315 -15.573 8.818
22 H SER 6 H SER 6 1.192 -14.614 7.947
23 HA SER 6 HA SER 6 0.050 -11.938 8.097
24 HB2 SER 6 1HB SER 6 2.522 -12.545 6.456
25 HB3 SER 6 2HB SER 6 1.629 -11.024 6.450
26 HG SER 6 HG SER 6 2.088 -11.105 8.840
27 H GLY 7 H GLY 7 -0.691 -11.190 5.902
28 HA2 GLY 7 1HA GLY 7 -0.986 -12.249 3.559
29 HA3 GLY 7 2HA GLY 7 -1.810 -13.504 4.473
30 H THR 8 H THR 8 -3.644 -12.740 5.862
31 HA THR 8 HA THR 8 -5.797 -11.948 5.797
32 HB THR 8 HB THR 8 -5.947 -9.466 5.942
33 HG1 THR 8 HG1 THR 8 -3.625 -8.559 6.088
34 HG21 THR 8 3HG2 THR 8 -5.382 -10.906 7.905
35 HG22 THR 8 1HG2 THR 8 -4.762 -9.260 8.022
36 HG23 THR 8 2HG2 THR 8 -3.677 -10.582 7.589
37 H GLY 9 H GLY 9 -5.063 -12.898 3.287
38 HA2 GLY 9 1HA GLY 9 -5.848 -12.879 1.128
39 HA3 GLY 9 2HA GLY 9 -6.993 -11.649 1.641
40 H GLU 10 H GLU 10 -6.862 -9.891 0.432
41 HA GLU 10 HA GLU 10 -4.352 -8.547 0.048
42 HB2 GLU 10 1HB GLU 10 -4.492 -10.324 -1.788
43 HB3 GLU 10 2HB GLU 10 -5.810 -9.371 -2.456
44 HG2 GLU 10 1HG GLU 10 -4.362 -7.491 -2.787
45 HG3 GLU 10 2HG GLU 10 -3.042 -8.307 -1.952
46 H LYS 11 H LYS 11 -4.604 -6.424 -0.883
47 HA LYS 11 HA LYS 11 -7.284 -5.354 -0.398
48 HB2 LYS 11 1HB LYS 11 -4.636 -3.930 -0.724
49 HB3 LYS 11 2HB LYS 11 -6.166 -3.158 -0.328
50 HG2 LYS 11 1HG LYS 11 -4.812 -5.240 1.374
51 HG3 LYS 11 2HG LYS 11 -4.693 -3.497 1.625
52 HD2 LYS 11 1HD LYS 11 -7.155 -3.408 1.876
53 HD3 LYS 11 2HD LYS 11 -7.205 -5.166 1.729
54 HE2 LYS 11 1HE LYS 11 -5.648 -3.679 3.839
55 HE3 LYS 11 2HE LYS 11 -7.269 -4.329 4.078
56 HZ1 LYS 11 3HZ LYS 11 -5.462 -6.277 3.023
57 HZ2 LYS 11 1HZ LYS 11 -6.461 -6.361 4.386
58 HZ3 LYS 11 2HZ LYS 11 -4.928 -5.657 4.504
59 HA PRO 12 HA PRO 12 -8.151 -4.581 -4.633
60 HB2 PRO 12 1HB PRO 12 -9.646 -2.322 -4.443
61 HB3 PRO 12 2HB PRO 12 -10.242 -3.913 -3.953
62 HG2 PRO 12 1HG PRO 12 -9.130 -1.704 -2.265
63 HG3 PRO 12 2HG PRO 12 -10.539 -2.739 -1.967
64 HD2 PRO 12 1HD PRO 12 -8.141 -3.168 -0.786
65 HD3 PRO 12 2HD PRO 12 -9.249 -4.490 -1.204
66 H TYR 13 H TYR 13 -6.490 -2.229 -2.716
67 HA TYR 13 HA TYR 13 -5.267 -1.142 -5.147
68 HB2 TYR 13 1HB TYR 13 -6.025 0.676 -2.870
69 HB3 TYR 13 2HB TYR 13 -5.537 1.113 -4.503
70 HD1 TYR 13 HD2 TYR 13 -7.161 0.065 -6.382
71 HD2 TYR 13 HD1 TYR 13 -8.257 0.903 -2.357
72 HE1 TYR 13 HE2 TYR 13 -9.523 0.191 -7.057
73 HE2 TYR 13 HE1 TYR 13 -10.622 1.031 -3.021
74 HH TYR 13 HH TYR 13 -11.710 0.039 -6.140
75 H LYS 14 H LYS 14 -3.143 -1.351 -5.017
76 HA LYS 14 HA LYS 14 -1.874 -1.256 -2.358
77 HB2 LYS 14 1HB LYS 14 -1.895 -3.522 -3.456
78 HB3 LYS 14 2HB LYS 14 -0.894 -2.845 -4.733
79 HG2 LYS 14 1HG LYS 14 0.719 -2.185 -2.856
80 HG3 LYS 14 2HG LYS 14 -0.204 -3.308 -1.855
81 HD2 LYS 14 1HD LYS 14 0.738 -4.250 -4.514
82 HD3 LYS 14 2HD LYS 14 1.930 -4.082 -3.222
83 HE2 LYS 14 1HE LYS 14 -0.642 -5.632 -2.962
84 HE3 LYS 14 2HE LYS 14 0.903 -6.355 -3.405
85 HZ1 LYS 14 3HZ LYS 14 1.796 -5.900 -1.316
86 HZ2 LYS 14 1HZ LYS 14 0.226 -6.430 -0.972
87 HZ3 LYS 14 2HZ LYS 14 0.590 -4.780 -0.924
88 H CYS 15 H CYS 15 0.268 -0.386 -2.266
89 HA CYS 15 HA CYS 15 0.605 1.915 -3.914
90 HB2 CYS 15 1HB CYS 15 1.292 1.956 -1.581
91 HB3 CYS 15 2HB CYS 15 2.444 0.655 -1.870
92 H GLU 16 H GLU 16 2.169 2.360 -5.453
93 HA GLU 16 HA GLU 16 3.273 0.005 -6.779
94 HB2 GLU 16 1HB GLU 16 1.933 1.925 -7.922
95 HB3 GLU 16 2HB GLU 16 3.456 2.799 -7.854
96 HG2 GLU 16 1HG GLU 16 4.516 1.317 -9.299
97 HG3 GLU 16 2HG GLU 16 3.306 0.061 -9.048
98 H GLU 17 H GLU 17 4.260 2.829 -5.015
99 HA GLU 17 HA GLU 17 6.966 2.905 -5.823
100 HB2 GLU 17 1HB GLU 17 5.502 3.928 -3.403
101 HB3 GLU 17 2HB GLU 17 7.245 4.098 -3.554
102 HG2 GLU 17 1HG GLU 17 5.288 5.117 -5.595
103 HG3 GLU 17 2HG GLU 17 5.917 6.087 -4.265
104 H CYS 18 H CYS 18 5.385 1.435 -2.996
105 HA CYS 18 HA CYS 18 7.700 -0.366 -2.752
106 HB2 CYS 18 1HB CYS 18 7.566 -0.248 -0.328
107 HB3 CYS 18 2HB CYS 18 7.786 1.369 -0.988
108 H GLY 19 H GLY 19 4.263 0.175 -2.158
109 HA2 GLY 19 1HA GLY 19 2.562 -1.396 -2.532
110 HA3 GLY 19 2HA GLY 19 3.777 -2.665 -2.594
111 H LYS 20 H LYS 20 1.815 -0.664 -0.494
112 HA LYS 20 HA LYS 20 2.539 -2.372 1.788
113 HB2 LYS 20 1HB LYS 20 2.893 -0.082 2.324
114 HB3 LYS 20 2HB LYS 20 1.348 0.393 1.631
115 HG2 LYS 20 1HG LYS 20 0.932 0.478 3.897
116 HG3 LYS 20 2HG LYS 20 0.329 -1.123 3.461
117 HD2 LYS 20 1HD LYS 20 3.172 -0.883 4.298
118 HD3 LYS 20 2HD LYS 20 1.929 -0.743 5.543
119 HE2 LYS 20 1HE LYS 20 1.136 -2.905 5.160
120 HE3 LYS 20 2HE LYS 20 1.901 -3.004 3.574
121 HZ1 LYS 20 3HZ LYS 20 2.946 -4.249 5.554
122 HZ2 LYS 20 1HZ LYS 20 3.554 -2.734 5.997
123 HZ3 LYS 20 2HZ LYS 20 3.961 -3.402 4.498
124 H GLY 21 H GLY 21 -0.198 -1.071 -0.031
125 HA2 GLY 21 1HA GLY 21 -2.150 -2.352 -0.477
126 HA3 GLY 21 2HA GLY 21 -1.819 -3.304 0.963
127 H PHE 22 H PHE 22 -3.917 -1.166 -0.279
128 HA PHE 22 HA PHE 22 -4.800 -0.333 2.377
129 HB2 PHE 22 1HB PHE 22 -4.574 1.612 0.072
130 HB3 PHE 22 2HB PHE 22 -5.158 1.970 1.694
131 HD1 PHE 22 HD1 PHE 22 -2.185 1.112 -0.300
132 HD2 PHE 22 HD2 PHE 22 -3.657 2.408 3.477
133 HE1 PHE 22 HE1 PHE 22 0.105 1.692 0.390
134 HE2 PHE 22 HE2 PHE 22 -1.371 2.991 4.173
135 HZ PHE 22 HZ PHE 22 0.514 2.634 2.628
136 H ILE 23 H ILE 23 -7.045 0.437 2.390
137 HA ILE 23 HA ILE 23 -8.629 -1.052 0.435
138 HB ILE 23 HB ILE 23 -9.515 0.256 3.010
139 HG12 ILE 23 1HG1 ILE 23 -9.170 -2.696 2.506
140 HG13 ILE 23 2HG1 ILE 23 -7.863 -1.704 3.143
141 HG21 ILE 23 1HG2 ILE 23 -11.477 -1.335 2.673
142 HG22 ILE 23 2HG2 ILE 23 -11.406 0.085 1.631
143 HG23 ILE 23 3HG2 ILE 23 -10.916 -1.490 1.009
144 HD11 ILE 23 3HD1 ILE 23 -10.533 -1.708 4.476
145 HD12 ILE 23 1HD1 ILE 23 -9.381 -3.011 4.768
146 HD13 ILE 23 2HD1 ILE 23 -8.944 -1.345 5.149
147 H CYS 24 H CYS 24 -8.698 2.146 2.016
148 HA CYS 24 HA CYS 24 -10.538 3.188 0.064
149 HB2 CYS 24 1HB CYS 24 -9.011 4.484 2.326
150 HB3 CYS 24 2HB CYS 24 -10.118 5.362 1.278
151 HG CYS 24 HG CYS 24 -11.951 5.030 3.071
152 H ARG 25 H ARG 25 -10.123 4.536 -1.628
153 HA ARG 25 HA ARG 25 -7.691 4.374 -2.958
154 HB2 ARG 25 1HB ARG 25 -10.051 6.207 -3.199
155 HB3 ARG 25 2HB ARG 25 -8.613 6.500 -4.168
156 HG2 ARG 25 1HG ARG 25 -9.863 3.791 -4.155
157 HG3 ARG 25 2HG ARG 25 -10.563 5.085 -5.130
158 HD2 ARG 25 1HD ARG 25 -8.436 5.397 -6.270
159 HD3 ARG 25 2HD ARG 25 -7.697 4.152 -5.263
160 HE ARG 25 HE ARG 25 -9.823 2.915 -6.461
161 HH11 ARG 25 1HH1 ARG 25 -7.009 4.640 -7.568
162 HH12 ARG 25 2HH1 ARG 25 -6.882 3.747 -9.046
163 HH21 ARG 25 1HH2 ARG 25 -9.666 1.731 -8.404
164 HH22 ARG 25 2HH2 ARG 25 -8.395 2.093 -9.522
165 H ARG 26 H ARG 26 -9.000 7.132 -1.118
166 HA ARG 26 HA ARG 26 -6.975 8.940 -1.390
167 HB2 ARG 26 1HB ARG 26 -9.073 9.336 -0.133
168 HB3 ARG 26 2HB ARG 26 -8.449 8.350 1.182
169 HG2 ARG 26 1HG ARG 26 -6.632 9.936 1.525
170 HG3 ARG 26 2HG ARG 26 -7.232 10.919 0.188
171 HD2 ARG 26 1HD ARG 26 -9.079 10.241 2.426
172 HD3 ARG 26 2HD ARG 26 -7.855 11.483 2.681
173 HE ARG 26 HE ARG 26 -10.227 11.697 1.087
174 HH11 ARG 26 1HH1 ARG 26 -6.972 12.861 1.506
175 HH12 ARG 26 2HH1 ARG 26 -7.275 14.377 0.725
176 HH21 ARG 26 1HH2 ARG 26 -10.638 13.690 0.057
177 HH22 ARG 26 2HH2 ARG 26 -9.361 14.848 -0.098
178 H ASP 27 H ASP 27 -7.172 6.538 1.242
179 HA ASP 27 HA ASP 27 -4.873 6.948 2.580
180 HB2 ASP 27 1HB ASP 27 -6.631 5.023 2.765
181 HB3 ASP 27 2HB ASP 27 -5.494 4.131 1.758
182 H LEU 28 H LEU 28 -5.063 4.898 -0.333
183 HA LEU 28 HA LEU 28 -2.445 4.205 -0.637
184 HB2 LEU 28 1HB LEU 28 -4.076 3.356 -2.140
185 HB3 LEU 28 2HB LEU 28 -4.473 4.972 -2.720
186 HG LEU 28 HG LEU 28 -2.286 5.113 -3.815
187 HD11 LEU 28 1HD1 LEU 28 -1.825 2.668 -2.273
188 HD12 LEU 28 2HD1 LEU 28 -0.679 3.851 -2.901
189 HD13 LEU 28 3HD1 LEU 28 -1.299 2.581 -3.955
190 HD21 LEU 28 3HD2 LEU 28 -2.748 2.917 -5.295
191 HD22 LEU 28 1HD2 LEU 28 -3.704 4.395 -5.417
192 HD23 LEU 28 2HD2 LEU 28 -4.291 3.044 -4.447
193 H TYR 29 H TYR 29 -3.933 7.144 -2.004
194 HA TYR 29 HA TYR 29 -1.551 8.244 -3.002
195 HB2 TYR 29 1HB TYR 29 -4.045 9.698 -2.098
196 HB3 TYR 29 2HB TYR 29 -2.793 10.350 -3.150
197 HD1 TYR 29 HD2 TYR 29 -2.276 8.565 -5.197
198 HD2 TYR 29 HD1 TYR 29 -5.985 9.134 -3.192
199 HE1 TYR 29 HE2 TYR 29 -3.466 7.689 -7.163
200 HE2 TYR 29 HE1 TYR 29 -7.185 8.258 -5.152
201 HH TYR 29 HH TYR 29 -7.007 7.397 -7.187
202 H THR 30 H THR 30 -3.293 8.892 0.031
203 HA THR 30 HA THR 30 -1.761 10.850 1.142
204 HB THR 30 HB THR 30 -2.825 8.444 2.634
205 HG1 THR 30 HG1 THR 30 -4.221 10.028 1.249
206 HG21 THR 30 3HG2 THR 30 -1.890 9.394 4.424
207 HG22 THR 30 1HG2 THR 30 -3.007 10.742 4.210
208 HG23 THR 30 2HG2 THR 30 -1.398 10.806 3.490
209 H HIS 31 H HIS 31 -1.023 7.394 1.045
210 HA HIS 31 HA HIS 31 1.339 7.582 2.624
211 HB2 HIS 31 1HB HIS 31 0.397 5.438 2.562
212 HB3 HIS 31 2HB HIS 31 0.183 5.480 0.815
213 HD1 HIS 31 HD1 HIS 31 3.017 5.310 3.341
214 HD2 HIS 31 HD2 HIS 31 2.136 4.196 -0.563
215 HE1 HIS 31 HE1 HIS 31 4.995 3.967 2.563
216 H HIS 32 H HIS 32 0.674 7.663 -0.837
217 HA HIS 32 HA HIS 32 3.203 7.416 -1.890
218 HB2 HIS 32 1HB HIS 32 1.094 7.644 -3.205
219 HB3 HIS 32 2HB HIS 32 1.101 9.369 -2.849
220 HD1 HIS 32 HD1 HIS 32 1.685 10.471 -4.988
221 HD2 HIS 32 HD2 HIS 32 4.095 7.171 -4.233
222 HE1 HIS 32 HE1 HIS 32 3.390 10.446 -6.837
223 H MET 33 H MET 33 1.907 10.003 -0.009
224 HA MET 33 HA MET 33 3.423 12.176 -0.753
225 HB2 MET 33 1HB MET 33 2.257 11.261 1.834
226 HB3 MET 33 2HB MET 33 3.383 12.611 1.866
227 HG2 MET 33 1HG MET 33 1.819 13.474 -0.089
228 HG3 MET 33 2HG MET 33 0.654 12.438 0.732
229 HE1 MET 33 3HE MET 33 -0.200 16.140 1.732
230 HE2 MET 33 1HE MET 33 -0.072 15.128 0.293
231 HE3 MET 33 2HE MET 33 -1.051 14.596 1.660
232 H VAL 34 H VAL 34 4.293 9.801 1.766
233 HA VAL 34 HA VAL 34 6.821 10.737 2.363
234 HB VAL 34 HB VAL 34 7.282 8.677 3.368
235 HG11 VAL 34 1HG1 VAL 34 5.577 8.757 4.791
236 HG12 VAL 34 2HG1 VAL 34 4.737 9.802 3.643
237 HG13 VAL 34 3HG1 VAL 34 4.482 8.057 3.599
238 HG21 VAL 34 3HG2 VAL 34 7.124 7.271 1.397
239 HG22 VAL 34 1HG2 VAL 34 6.202 6.561 2.723
240 HG23 VAL 34 2HG2 VAL 34 5.365 7.402 1.417
241 H HIS 35 H HIS 35 5.770 8.778 -0.348
242 HA HIS 35 HA HIS 35 8.402 8.107 -1.242
243 HB2 HIS 35 1HB HIS 35 5.662 7.922 -2.467
244 HB3 HIS 35 2HB HIS 35 7.104 7.564 -3.412
245 HD1 HIS 35 HD1 HIS 35 8.754 5.750 -1.948
246 HD2 HIS 35 HD2 HIS 35 4.634 5.669 -1.416
247 HE1 HIS 35 HE1 HIS 35 8.243 3.477 -1.001
248 H THR 36 H THR 36 6.343 10.840 -1.577
249 HA THR 36 HA THR 36 7.793 11.867 -3.889
250 HB THR 36 HB THR 36 6.192 13.633 -3.979
251 HG1 THR 36 HG1 THR 36 4.617 13.849 -2.273
252 HG21 THR 36 3HG2 THR 36 5.023 11.955 -4.954
253 HG22 THR 36 1HG2 THR 36 3.989 12.145 -3.538
254 HG23 THR 36 2HG2 THR 36 5.213 10.876 -3.572
255 H GLY 37 H GLY 37 8.985 11.524 -1.140
256 HA2 GLY 37 1HA GLY 37 9.654 14.340 -0.577
257 HA3 GLY 37 2HA GLY 37 9.811 13.019 0.572
258 H GLU 38 H GLU 38 11.425 11.318 0.001
259 HA GLU 38 HA GLU 38 13.823 12.619 -1.073
260 HB2 GLU 38 1HB GLU 38 14.101 11.783 1.165
261 HB3 GLU 38 2HB GLU 38 13.465 10.209 0.710
262 HG2 GLU 38 1HG GLU 38 15.765 9.892 0.840
263 HG3 GLU 38 2HG GLU 38 15.445 10.057 -0.886
264 H LYS 39 H LYS 39 14.524 12.102 -3.027
265 HA LYS 39 HA LYS 39 13.298 10.144 -4.642
266 HB2 LYS 39 1HB LYS 39 15.849 11.722 -4.941
267 HB3 LYS 39 2HB LYS 39 15.294 10.590 -6.168
268 HG2 LYS 39 1HG LYS 39 13.458 11.889 -6.721
269 HG3 LYS 39 2HG LYS 39 13.493 12.767 -5.191
270 HD2 LYS 39 1HD LYS 39 15.180 14.167 -5.877
271 HD3 LYS 39 2HD LYS 39 15.832 12.994 -7.024
272 HE2 LYS 39 1HE LYS 39 14.289 13.531 -8.652
273 HE3 LYS 39 2HE LYS 39 13.118 14.146 -7.487
274 HZ1 LYS 39 3HZ LYS 39 14.210 16.153 -7.317
275 HZ2 LYS 39 1HZ LYS 39 14.415 15.795 -8.958
276 HZ3 LYS 39 2HZ LYS 39 15.685 15.537 -7.871
277 HA PRO 40 HA PRO 40 15.455 6.433 -3.725
278 HB2 PRO 40 1HB PRO 40 15.570 5.261 -6.171
279 HB3 PRO 40 2HB PRO 40 14.075 5.392 -5.238
280 HG2 PRO 40 1HG PRO 40 15.053 7.094 -7.498
281 HG3 PRO 40 2HG PRO 40 13.425 6.459 -7.199
282 HD2 PRO 40 1HD PRO 40 14.123 9.010 -6.619
283 HD3 PRO 40 2HD PRO 40 12.927 8.108 -5.667
284 H SER 41 H SER 41 17.533 6.783 -3.115
285 HA SER 41 HA SER 41 19.538 7.835 -4.835
286 HB2 SER 41 1HB SER 41 19.791 6.368 -2.199
287 HB3 SER 41 2HB SER 41 21.101 7.228 -3.006
288 HG SER 41 HG SER 41 18.738 8.631 -2.564
289 H GLY 42 H GLY 42 20.760 6.837 -6.297
290 HA2 GLY 42 1HA GLY 42 21.659 4.140 -5.998
291 HA3 GLY 42 2HA GLY 42 20.374 4.263 -7.191
292 HA PRO 43 HA PRO 43 24.702 5.504 -8.844
293 HB2 PRO 43 1HB PRO 43 25.489 3.142 -9.926
294 HB3 PRO 43 2HB PRO 43 25.897 3.626 -8.276
295 HG2 PRO 43 1HG PRO 43 23.729 1.797 -9.230
296 HG3 PRO 43 2HG PRO 43 24.827 1.606 -7.852
297 HD2 PRO 43 1HD PRO 43 22.273 2.458 -7.571
298 HD3 PRO 43 2HD PRO 43 23.584 3.004 -6.505
299 H SER 44 H SER 44 21.737 4.448 -9.808
300 HA SER 44 HA SER 44 20.562 4.510 -11.755
301 HB2 SER 44 1HB SER 44 22.901 6.240 -12.587
302 HB3 SER 44 2HB SER 44 21.433 6.037 -13.543
303 HG SER 44 HG SER 44 21.617 7.898 -11.986
304 H SER 45 H SER 45 22.152 2.250 -11.340
305 HA SER 45 HA SER 45 23.626 1.609 -13.714
306 HB2 SER 45 1HB SER 45 23.815 0.631 -11.270
307 HB3 SER 45 2HB SER 45 22.601 -0.504 -11.859
308 HG SER 45 HG SER 45 25.239 -0.477 -12.324
309 H GLY 46 H GLY 46 20.408 0.854 -12.454
310 HA2 GLY 46 1HA GLY 46 18.513 0.562 -13.851
311 HA3 GLY 46 2HA GLY 46 19.588 0.140 -15.176
Start of MODEL 6
1 H1 GLY 1 H GLY 1 5.697 -12.116 -16.881
2 HA2 GLY 1 1HA GLY 1 2.829 -11.431 -17.071
3 HA3 GLY 1 2HA GLY 1 3.945 -11.362 -18.427
4 H SER 2 H SER 2 3.565 -13.899 -15.981
5 HA SER 2 HA SER 2 2.367 -15.677 -17.952
6 HB2 SER 2 1HB SER 2 4.661 -16.134 -18.400
7 HB3 SER 2 2HB SER 2 5.066 -16.152 -16.684
8 HG SER 2 HG SER 2 3.145 -17.967 -17.558
9 H SER 3 H SER 3 0.751 -16.704 -16.998
10 HA SER 3 HA SER 3 -0.169 -16.535 -14.504
11 HB2 SER 3 1HB SER 3 -0.162 -18.996 -16.256
12 HB3 SER 3 2HB SER 3 -1.093 -18.887 -14.763
13 HG SER 3 HG SER 3 -2.420 -18.262 -16.430
14 H GLY 4 H GLY 4 0.397 -17.074 -12.491
15 HA2 GLY 4 1HA GLY 4 1.501 -19.299 -11.460
16 HA3 GLY 4 2HA GLY 4 2.913 -18.455 -12.079
17 H SER 5 H SER 5 3.629 -16.585 -11.069
18 HA SER 5 HA SER 5 3.569 -16.380 -8.379
19 HB2 SER 5 1HB SER 5 3.700 -14.056 -10.316
20 HB3 SER 5 2HB SER 5 4.188 -13.990 -8.622
21 HG SER 5 HG SER 5 5.292 -15.921 -10.346
22 H SER 6 H SER 6 2.079 -16.014 -6.885
23 HA SER 6 HA SER 6 0.069 -13.998 -7.167
24 HB2 SER 6 1HB SER 6 -0.773 -16.104 -8.452
25 HB3 SER 6 2HB SER 6 -1.051 -16.768 -6.842
26 HG SER 6 HG SER 6 -2.616 -15.147 -8.188
27 H GLY 7 H GLY 7 -1.149 -13.668 -5.218
28 HA2 GLY 7 1HA GLY 7 -1.662 -14.357 -2.943
29 HA3 GLY 7 2HA GLY 7 -0.081 -15.123 -2.882
30 H THR 8 H THR 8 1.767 -13.476 -3.375
31 HA THR 8 HA THR 8 2.131 -11.801 -1.288
32 HB THR 8 HB THR 8 3.654 -10.427 -2.805
33 HG1 THR 8 HG1 THR 8 2.946 -10.667 -4.830
34 HG21 THR 8 3HG2 THR 8 3.826 -13.238 -2.048
35 HG22 THR 8 1HG2 THR 8 5.018 -11.950 -1.885
36 HG23 THR 8 2HG2 THR 8 4.868 -12.826 -3.408
37 H GLY 9 H GLY 9 0.598 -10.428 -0.563
38 HA2 GLY 9 1HA GLY 9 -0.368 -8.305 -0.472
39 HA3 GLY 9 2HA GLY 9 0.070 -8.058 -2.156
40 H GLU 10 H GLU 10 -2.454 -8.597 -0.047
41 HA GLU 10 HA GLU 10 -4.224 -9.335 -2.280
42 HB2 GLU 10 1HB GLU 10 -4.086 -10.466 0.483
43 HB3 GLU 10 2HB GLU 10 -5.648 -10.367 -0.317
44 HG2 GLU 10 1HG GLU 10 -5.083 -11.910 -1.919
45 HG3 GLU 10 2HG GLU 10 -3.355 -11.601 -1.761
46 H LYS 11 H LYS 11 -4.464 -7.002 -2.477
47 HA LYS 11 HA LYS 11 -6.631 -6.043 -0.781
48 HB2 LYS 11 1HB LYS 11 -3.946 -4.736 -1.034
49 HB3 LYS 11 2HB LYS 11 -5.379 -3.745 -0.796
50 HG2 LYS 11 1HG LYS 11 -4.879 -6.042 1.034
51 HG3 LYS 11 2HG LYS 11 -3.963 -4.547 1.242
52 HD2 LYS 11 1HD LYS 11 -5.749 -4.079 2.583
53 HD3 LYS 11 2HD LYS 11 -6.380 -3.476 1.048
54 HE2 LYS 11 1HE LYS 11 -7.851 -5.209 0.816
55 HE3 LYS 11 2HE LYS 11 -6.835 -6.335 1.713
56 HZ1 LYS 11 3HZ LYS 11 -8.357 -5.997 3.309
57 HZ2 LYS 11 1HZ LYS 11 -8.875 -4.516 2.675
58 HZ3 LYS 11 2HZ LYS 11 -7.477 -4.587 3.623
59 HA PRO 12 HA PRO 12 -8.238 -4.471 -4.552
60 HB2 PRO 12 1HB PRO 12 -9.634 -2.315 -3.675
61 HB3 PRO 12 2HB PRO 12 -10.158 -3.979 -3.391
62 HG2 PRO 12 1HG PRO 12 -8.722 -2.106 -1.550
63 HG3 PRO 12 2HG PRO 12 -10.071 -3.202 -1.201
64 HD2 PRO 12 1HD PRO 12 -7.506 -3.803 -0.575
65 HD3 PRO 12 2HD PRO 12 -8.694 -5.043 -1.025
66 H TYR 13 H TYR 13 -6.317 -2.397 -2.516
67 HA TYR 13 HA TYR 13 -5.283 -1.040 -4.868
68 HB2 TYR 13 1HB TYR 13 -6.457 0.509 -2.549
69 HB3 TYR 13 2HB TYR 13 -5.605 1.203 -3.924
70 HD1 TYR 13 HD2 TYR 13 -6.657 1.269 -6.135
71 HD2 TYR 13 HD1 TYR 13 -8.738 -0.253 -2.750
72 HE1 TYR 13 HE2 TYR 13 -8.778 1.442 -7.368
73 HE2 TYR 13 HE1 TYR 13 -10.864 -0.086 -3.974
74 HH TYR 13 HH TYR 13 -11.807 0.258 -5.988
75 H LYS 14 H LYS 14 -3.166 -1.288 -4.696
76 HA LYS 14 HA LYS 14 -1.905 -0.860 -2.070
77 HB2 LYS 14 1HB LYS 14 -1.844 -3.228 -2.449
78 HB3 LYS 14 2HB LYS 14 -1.286 -3.007 -4.102
79 HG2 LYS 14 1HG LYS 14 0.863 -2.455 -3.442
80 HG3 LYS 14 2HG LYS 14 0.356 -2.013 -1.810
81 HD2 LYS 14 1HD LYS 14 1.489 -4.084 -1.618
82 HD3 LYS 14 2HD LYS 14 -0.231 -4.447 -1.468
83 HE2 LYS 14 1HE LYS 14 0.615 -6.094 -2.911
84 HE3 LYS 14 2HE LYS 14 -0.180 -4.929 -3.968
85 HZ1 LYS 14 3HZ LYS 14 2.175 -5.794 -4.546
86 HZ2 LYS 14 1HZ LYS 14 2.694 -4.654 -3.409
87 HZ3 LYS 14 2HZ LYS 14 1.814 -4.156 -4.765
88 H CYS 15 H CYS 15 0.152 0.094 -2.086
89 HA CYS 15 HA CYS 15 0.589 2.047 -4.044
90 HB2 CYS 15 1HB CYS 15 1.429 2.079 -1.666
91 HB3 CYS 15 2HB CYS 15 2.676 0.939 -2.161
92 H GLU 16 H GLU 16 1.539 1.998 -5.973
93 HA GLU 16 HA GLU 16 2.726 -0.483 -6.897
94 HB2 GLU 16 1HB GLU 16 1.096 1.185 -8.159
95 HB3 GLU 16 2HB GLU 16 2.610 1.959 -8.605
96 HG2 GLU 16 1HG GLU 16 1.503 -0.660 -9.420
97 HG3 GLU 16 2HG GLU 16 2.384 0.543 -10.360
98 H GLU 17 H GLU 17 3.948 1.806 -5.082
99 HA GLU 17 HA GLU 17 6.463 2.114 -6.568
100 HB2 GLU 17 1HB GLU 17 5.392 3.589 -4.158
101 HB3 GLU 17 2HB GLU 17 6.992 3.844 -4.840
102 HG2 GLU 17 1HG GLU 17 5.599 4.244 -7.047
103 HG3 GLU 17 2HG GLU 17 4.333 4.638 -5.885
104 H CYS 18 H CYS 18 5.178 1.162 -3.404
105 HA CYS 18 HA CYS 18 7.681 -0.321 -2.933
106 HB2 CYS 18 1HB CYS 18 7.396 0.071 -0.535
107 HB3 CYS 18 2HB CYS 18 7.488 1.598 -1.407
108 H GLY 19 H GLY 19 4.190 -0.197 -2.325
109 HA2 GLY 19 1HA GLY 19 2.763 -2.071 -2.614
110 HA3 GLY 19 2HA GLY 19 4.150 -3.128 -2.394
111 H LYS 20 H LYS 20 2.466 -0.595 -0.527
112 HA LYS 20 HA LYS 20 2.983 -2.039 1.934
113 HB2 LYS 20 1HB LYS 20 3.194 0.401 1.904
114 HB3 LYS 20 2HB LYS 20 1.508 0.552 1.429
115 HG2 LYS 20 1HG LYS 20 1.489 0.990 3.708
116 HG3 LYS 20 2HG LYS 20 0.982 -0.698 3.603
117 HD2 LYS 20 1HD LYS 20 3.578 -1.125 3.847
118 HD3 LYS 20 2HD LYS 20 3.532 0.469 4.605
119 HE2 LYS 20 1HE LYS 20 3.217 -0.949 6.406
120 HE3 LYS 20 2HE LYS 20 1.564 -0.513 5.974
121 HZ1 LYS 20 3HZ LYS 20 1.993 -2.938 6.399
122 HZ2 LYS 20 1HZ LYS 20 2.883 -2.963 4.960
123 HZ3 LYS 20 2HZ LYS 20 1.236 -2.580 4.930
124 H GLY 21 H GLY 21 0.225 -1.181 -0.103
125 HA2 GLY 21 1HA GLY 21 -1.680 -2.561 -0.358
126 HA3 GLY 21 2HA GLY 21 -1.303 -3.323 1.180
127 H PHE 22 H PHE 22 -3.583 -1.583 -0.223
128 HA PHE 22 HA PHE 22 -4.420 -0.385 2.304
129 HB2 PHE 22 1HB PHE 22 -4.460 1.162 -0.294
130 HB3 PHE 22 2HB PHE 22 -5.006 1.737 1.278
131 HD1 PHE 22 HD1 PHE 22 -2.016 0.650 -0.613
132 HD2 PHE 22 HD2 PHE 22 -3.515 2.733 2.783
133 HE1 PHE 22 HE1 PHE 22 0.240 1.517 -0.153
134 HE2 PHE 22 HE2 PHE 22 -1.262 3.603 3.248
135 HZ PHE 22 HZ PHE 22 0.620 2.996 1.779
136 H ILE 23 H ILE 23 -6.731 0.284 2.245
137 HA ILE 23 HA ILE 23 -8.268 -1.736 0.827
138 HB ILE 23 HB ILE 23 -9.146 0.281 2.897
139 HG12 ILE 23 1HG1 ILE 23 -9.387 -2.046 4.157
140 HG13 ILE 23 2HG1 ILE 23 -8.124 -2.521 3.027
141 HG21 ILE 23 1HG2 ILE 23 -11.121 -0.198 1.841
142 HG22 ILE 23 2HG2 ILE 23 -10.596 -1.807 1.350
143 HG23 ILE 23 3HG2 ILE 23 -11.069 -1.506 3.022
144 HD11 ILE 23 3HD1 ILE 23 -7.962 -0.184 4.915
145 HD12 ILE 23 1HD1 ILE 23 -7.243 -1.770 5.190
146 HD13 ILE 23 2HD1 ILE 23 -6.685 -0.769 3.849
147 H CYS 24 H CYS 24 -8.081 1.790 1.076
148 HA CYS 24 HA CYS 24 -9.759 1.968 -1.340
149 HB2 CYS 24 1HB CYS 24 -9.684 3.639 1.137
150 HB3 CYS 24 2HB CYS 24 -10.098 4.409 -0.389
151 HG CYS 24 HG CYS 24 -12.291 2.723 -0.882
152 H ARG 25 H ARG 25 -9.368 4.227 -2.427
153 HA ARG 25 HA ARG 25 -6.531 4.305 -3.049
154 HB2 ARG 25 1HB ARG 25 -8.807 5.850 -4.303
155 HB3 ARG 25 2HB ARG 25 -7.174 5.696 -4.936
156 HG2 ARG 25 1HG ARG 25 -7.506 3.553 -5.663
157 HG3 ARG 25 2HG ARG 25 -8.757 3.224 -4.463
158 HD2 ARG 25 1HD ARG 25 -10.021 3.389 -6.372
159 HD3 ARG 25 2HD ARG 25 -10.080 5.052 -5.789
160 HE ARG 25 HE ARG 25 -7.896 4.643 -7.566
161 HH11 ARG 25 1HH1 ARG 25 -11.342 5.127 -7.453
162 HH12 ARG 25 2HH1 ARG 25 -11.426 5.830 -9.034
163 HH21 ARG 25 1HH2 ARG 25 -7.994 5.568 -9.649
164 HH22 ARG 25 2HH2 ARG 25 -9.522 6.080 -10.283
165 H ARG 26 H ARG 26 -9.055 6.501 -1.875
166 HA ARG 26 HA ARG 26 -7.745 8.886 -1.764
167 HB2 ARG 26 1HB ARG 26 -10.093 8.460 -1.024
168 HB3 ARG 26 2HB ARG 26 -9.457 7.792 0.473
169 HG2 ARG 26 1HG ARG 26 -8.546 9.906 1.111
170 HG3 ARG 26 2HG ARG 26 -8.932 10.602 -0.465
171 HD2 ARG 26 1HD ARG 26 -10.662 11.384 0.853
172 HD3 ARG 26 2HD ARG 26 -11.369 9.942 0.126
173 HE ARG 26 HE ARG 26 -10.132 9.358 2.621
174 HH11 ARG 26 1HH1 ARG 26 -12.989 10.730 1.180
175 HH12 ARG 26 2HH1 ARG 26 -14.005 10.367 2.535
176 HH21 ARG 26 1HH2 ARG 26 -11.461 8.875 4.412
177 HH22 ARG 26 2HH2 ARG 26 -13.135 9.313 4.373
178 H ASP 27 H ASP 27 -7.628 6.367 0.752
179 HA ASP 27 HA ASP 27 -5.762 7.704 2.393
180 HB2 ASP 27 1HB ASP 27 -6.656 4.842 2.172
181 HB3 ASP 27 2HB ASP 27 -5.365 5.304 3.278
182 H LEU 28 H LEU 28 -5.380 5.258 -0.139
183 HA LEU 28 HA LEU 28 -2.676 4.729 0.123
184 HB2 LEU 28 1HB LEU 28 -3.777 3.364 -1.376
185 HB3 LEU 28 2HB LEU 28 -4.571 4.715 -2.181
186 HG LEU 28 HG LEU 28 -2.504 5.293 -3.312
187 HD11 LEU 28 1HD1 LEU 28 -0.863 4.706 -1.686
188 HD12 LEU 28 2HD1 LEU 28 -0.555 3.741 -3.129
189 HD13 LEU 28 3HD1 LEU 28 -1.342 3.009 -1.730
190 HD21 LEU 28 3HD2 LEU 28 -3.283 3.895 -4.854
191 HD22 LEU 28 1HD2 LEU 28 -3.903 2.792 -3.625
192 HD23 LEU 28 2HD2 LEU 28 -2.232 2.653 -4.171
193 H TYR 29 H TYR 29 -4.167 7.119 -2.068
194 HA TYR 29 HA TYR 29 -1.926 8.267 -3.126
195 HB2 TYR 29 1HB TYR 29 -4.648 9.283 -2.491
196 HB3 TYR 29 2HB TYR 29 -3.419 10.474 -2.903
197 HD1 TYR 29 HD1 TYR 29 -4.950 7.311 -4.147
198 HD2 TYR 29 HD2 TYR 29 -2.969 10.944 -5.137
199 HE1 TYR 29 HE1 TYR 29 -5.315 6.852 -6.535
200 HE2 TYR 29 HE2 TYR 29 -3.330 10.496 -7.528
201 HH TYR 29 HH TYR 29 -3.738 8.047 -8.899
202 H THR 30 H THR 30 -3.244 8.706 0.085
203 HA THR 30 HA THR 30 -1.763 10.980 0.837
204 HB THR 30 HB THR 30 -2.674 8.762 2.676
205 HG1 THR 30 HG1 THR 30 -4.628 9.381 2.186
206 HG21 THR 30 3HG2 THR 30 -2.597 10.351 4.409
207 HG22 THR 30 1HG2 THR 30 -2.466 11.700 3.283
208 HG23 THR 30 2HG2 THR 30 -1.103 10.604 3.507
209 H HIS 31 H HIS 31 -1.048 7.526 1.013
210 HA HIS 31 HA HIS 31 1.275 7.638 2.552
211 HB2 HIS 31 1HB HIS 31 0.426 5.489 2.188
212 HB3 HIS 31 2HB HIS 31 0.291 5.733 0.449
213 HD1 HIS 31 HD1 HIS 31 2.967 5.265 3.096
214 HD2 HIS 31 HD2 HIS 31 2.395 4.774 -0.989
215 HE1 HIS 31 HE1 HIS 31 5.039 4.110 2.261
216 H HIS 32 H HIS 32 0.866 7.882 -0.965
217 HA HIS 32 HA HIS 32 3.372 7.885 -1.932
218 HB2 HIS 32 1HB HIS 32 1.119 8.535 -3.074
219 HB3 HIS 32 2HB HIS 32 1.604 10.186 -2.700
220 HD1 HIS 32 HD1 HIS 32 3.058 11.289 -4.379
221 HD2 HIS 32 HD2 HIS 32 3.150 7.149 -4.718
222 HE1 HIS 32 HE1 HIS 32 4.443 10.812 -6.423
223 H MET 33 H MET 33 1.997 10.343 0.137
224 HA MET 33 HA MET 33 3.647 12.484 -0.159
225 HB2 MET 33 1HB MET 33 2.494 11.238 2.323
226 HB3 MET 33 2HB MET 33 3.460 12.705 2.407
227 HG2 MET 33 1HG MET 33 1.012 12.429 0.687
228 HG3 MET 33 2HG MET 33 0.983 13.043 2.338
229 HE1 MET 33 3HE MET 33 0.086 14.508 -0.574
230 HE2 MET 33 1HE MET 33 -0.319 15.090 1.042
231 HE3 MET 33 2HE MET 33 0.484 16.162 -0.106
232 H VAL 34 H VAL 34 4.344 9.633 1.861
233 HA VAL 34 HA VAL 34 6.915 10.453 2.662
234 HB VAL 34 HB VAL 34 7.284 8.187 3.385
235 HG11 VAL 34 1HG1 VAL 34 5.489 9.725 4.465
236 HG12 VAL 34 2HG1 VAL 34 4.347 8.543 3.821
237 HG13 VAL 34 3HG1 VAL 34 5.597 8.035 4.958
238 HG21 VAL 34 3HG2 VAL 34 5.215 6.597 2.784
239 HG22 VAL 34 1HG2 VAL 34 5.253 7.583 1.322
240 HG23 VAL 34 2HG2 VAL 34 6.683 6.672 1.809
241 H HIS 35 H HIS 35 5.741 8.939 -0.235
242 HA HIS 35 HA HIS 35 8.292 8.000 -1.142
243 HB2 HIS 35 1HB HIS 35 5.543 8.172 -2.271
244 HB3 HIS 35 2HB HIS 35 6.880 8.045 -3.409
245 HD1 HIS 35 HD1 HIS 35 8.557 5.918 -2.833
246 HD2 HIS 35 HD2 HIS 35 4.666 5.775 -1.383
247 HE1 HIS 35 HE1 HIS 35 8.124 3.497 -2.306
248 H THR 36 H THR 36 6.421 10.933 -1.494
249 HA THR 36 HA THR 36 7.994 12.027 -3.617
250 HB THR 36 HB THR 36 6.858 14.182 -3.019
251 HG1 THR 36 HG1 THR 36 6.552 13.205 -0.713
252 HG21 THR 36 3HG2 THR 36 4.716 12.119 -3.158
253 HG22 THR 36 1HG2 THR 36 5.909 12.171 -4.455
254 HG23 THR 36 2HG2 THR 36 4.926 13.592 -4.103
255 H GLY 37 H GLY 37 8.155 12.060 -0.128
256 HA2 GLY 37 1HA GLY 37 9.657 14.231 0.502
257 HA3 GLY 37 2HA GLY 37 9.919 12.656 1.238
258 H GLU 38 H GLU 38 11.518 15.086 -0.124
259 HA GLU 38 HA GLU 38 13.178 13.864 -2.051
260 HB2 GLU 38 1HB GLU 38 12.986 16.295 -1.838
261 HB3 GLU 38 2HB GLU 38 13.733 16.226 -0.248
262 HG2 GLU 38 1HG GLU 38 15.793 15.369 -1.266
263 HG3 GLU 38 2HG GLU 38 15.042 15.489 -2.856
264 H LYS 39 H LYS 39 14.719 12.396 -1.822
265 HA LYS 39 HA LYS 39 15.753 11.840 0.865
266 HB2 LYS 39 1HB LYS 39 15.574 10.222 -1.661
267 HB3 LYS 39 2HB LYS 39 16.667 9.751 -0.366
268 HG2 LYS 39 1HG LYS 39 13.720 10.186 0.039
269 HG3 LYS 39 2HG LYS 39 14.431 8.621 -0.363
270 HD2 LYS 39 1HD LYS 39 15.656 8.555 1.664
271 HD3 LYS 39 2HD LYS 39 15.320 10.254 2.004
272 HE2 LYS 39 1HE LYS 39 13.022 9.791 2.434
273 HE3 LYS 39 2HE LYS 39 13.179 8.143 1.827
274 HZ1 LYS 39 3HZ LYS 39 14.386 7.495 3.696
275 HZ2 LYS 39 1HZ LYS 39 13.164 8.477 4.332
276 HZ3 LYS 39 2HZ LYS 39 14.733 9.084 4.158
277 HA PRO 40 HA PRO 40 19.705 13.537 -0.058
278 HB2 PRO 40 1HB PRO 40 21.230 12.083 1.653
279 HB3 PRO 40 2HB PRO 40 20.142 13.368 2.192
280 HG2 PRO 40 1HG PRO 40 19.717 10.404 2.184
281 HG3 PRO 40 2HG PRO 40 19.319 11.588 3.443
282 HD2 PRO 40 1HD PRO 40 17.467 10.605 1.730
283 HD3 PRO 40 2HD PRO 40 17.385 12.254 2.381
284 H SER 41 H SER 41 21.963 12.843 -0.645
285 HA SER 41 HA SER 41 22.019 11.295 -2.906
286 HB2 SER 41 1HB SER 41 23.843 12.806 -2.296
287 HB3 SER 41 2HB SER 41 24.288 11.754 -0.953
288 HG SER 41 HG SER 41 25.269 10.457 -2.295
289 H GLY 42 H GLY 42 21.365 9.250 -3.087
290 HA2 GLY 42 1HA GLY 42 21.591 7.362 -0.936
291 HA3 GLY 42 2HA GLY 42 20.989 7.033 -2.554
292 HA PRO 43 HA PRO 43 25.542 5.641 -1.795
293 HB2 PRO 43 1HB PRO 43 25.182 3.164 -0.743
294 HB3 PRO 43 2HB PRO 43 25.377 4.612 0.253
295 HG2 PRO 43 1HG PRO 43 22.870 3.172 -0.527
296 HG3 PRO 43 2HG PRO 43 23.330 3.846 1.048
297 HD2 PRO 43 1HD PRO 43 21.643 5.119 -0.644
298 HD3 PRO 43 2HD PRO 43 22.743 5.991 0.444
299 H SER 44 H SER 44 22.772 3.513 -2.509
300 HA SER 44 HA SER 44 24.262 2.460 -4.818
301 HB2 SER 44 1HB SER 44 23.034 0.463 -4.650
302 HB3 SER 44 2HB SER 44 23.337 0.904 -2.970
303 HG SER 44 HG SER 44 21.196 0.432 -3.086
304 H SER 45 H SER 45 23.607 2.930 -6.813
305 HA SER 45 HA SER 45 21.335 4.660 -7.191
306 HB2 SER 45 1HB SER 45 23.482 4.947 -8.437
307 HB3 SER 45 2HB SER 45 23.148 3.437 -9.285
308 HG SER 45 HG SER 45 22.465 5.615 -10.220
309 H GLY 46 H GLY 46 19.478 4.234 -8.383
310 HA2 GLY 46 1HA GLY 46 19.046 1.550 -9.426
311 HA3 GLY 46 2HA GLY 46 18.050 2.008 -8.052
Start of MODEL 7
1 H1 GLY 1 H GLY 1 13.009 -18.000 -4.816
2 HA2 GLY 1 1HA GLY 1 14.485 -16.845 -2.893
3 HA3 GLY 1 2HA GLY 1 14.037 -15.456 -3.873
4 H SER 2 H SER 2 13.102 -14.926 -1.659
5 HA SER 2 HA SER 2 10.270 -15.628 -1.720
6 HB2 SER 2 1HB SER 2 12.090 -16.062 0.647
7 HB3 SER 2 2HB SER 2 10.344 -15.882 0.826
8 HG SER 2 HG SER 2 11.446 -18.096 0.462
9 H SER 3 H SER 3 8.916 -14.125 -0.613
10 HA SER 3 HA SER 3 9.972 -11.801 0.658
11 HB2 SER 3 1HB SER 3 10.554 -11.150 -1.603
12 HB3 SER 3 2HB SER 3 8.924 -11.518 -2.167
13 HG SER 3 HG SER 3 9.282 -9.663 -0.091
14 H GLY 4 H GLY 4 8.397 -10.627 1.715
15 HA2 GLY 4 1HA GLY 4 5.619 -10.834 1.093
16 HA3 GLY 4 2HA GLY 4 6.047 -11.870 2.447
17 H SER 5 H SER 5 4.436 -9.295 2.102
18 HA SER 5 HA SER 5 5.814 -7.735 4.189
19 HB2 SER 5 1HB SER 5 5.349 -6.667 1.880
20 HB3 SER 5 2HB SER 5 3.665 -6.617 2.400
21 HG SER 5 HG SER 5 4.451 -5.460 4.285
22 H SER 6 H SER 6 4.316 -9.964 4.897
23 HA SER 6 HA SER 6 2.493 -10.688 6.086
24 HB2 SER 6 1HB SER 6 3.840 -9.294 7.701
25 HB3 SER 6 2HB SER 6 2.732 -7.962 7.374
26 HG SER 6 HG SER 6 1.683 -8.860 8.980
27 H GLY 7 H GLY 7 1.695 -9.641 3.630
28 HA2 GLY 7 1HA GLY 7 -0.446 -7.759 3.970
29 HA3 GLY 7 2HA GLY 7 -0.082 -8.673 2.514
30 H THR 8 H THR 8 -1.349 -9.184 5.804
31 HA THR 8 HA THR 8 -2.768 -11.549 5.097
32 HB THR 8 HB THR 8 -3.919 -11.223 7.309
33 HG1 THR 8 HG1 THR 8 -3.697 -9.377 8.324
34 HG21 THR 8 3HG2 THR 8 -2.165 -12.155 8.400
35 HG22 THR 8 1HG2 THR 8 -1.049 -10.877 7.919
36 HG23 THR 8 2HG2 THR 8 -1.452 -12.168 6.788
37 H GLY 9 H GLY 9 -4.114 -11.124 3.354
38 HA2 GLY 9 1HA GLY 9 -6.573 -10.846 3.137
39 HA3 GLY 9 2HA GLY 9 -6.361 -9.292 3.929
40 H GLU 10 H GLU 10 -7.251 -10.358 1.139
41 HA GLU 10 HA GLU 10 -5.424 -9.130 -0.688
42 HB2 GLU 10 1HB GLU 10 -8.232 -10.186 -0.982
43 HB3 GLU 10 2HB GLU 10 -7.359 -9.445 -2.315
44 HG2 GLU 10 1HG GLU 10 -6.167 -11.723 -0.790
45 HG3 GLU 10 2HG GLU 10 -7.341 -12.007 -2.074
46 H LYS 11 H LYS 11 -5.119 -6.991 -0.488
47 HA LYS 11 HA LYS 11 -7.232 -5.182 0.214
48 HB2 LYS 11 1HB LYS 11 -4.393 -4.731 -0.711
49 HB3 LYS 11 2HB LYS 11 -5.487 -3.428 -0.267
50 HG2 LYS 11 1HG LYS 11 -5.074 -5.626 1.684
51 HG3 LYS 11 2HG LYS 11 -3.772 -4.457 1.451
52 HD2 LYS 11 1HD LYS 11 -5.002 -2.715 2.297
53 HD3 LYS 11 2HD LYS 11 -6.544 -3.437 1.832
54 HE2 LYS 11 1HE LYS 11 -6.624 -4.789 3.696
55 HE3 LYS 11 2HE LYS 11 -4.874 -4.774 3.912
56 HZ1 LYS 11 3HZ LYS 11 -5.372 -2.229 4.333
57 HZ2 LYS 11 1HZ LYS 11 -5.460 -3.375 5.574
58 HZ3 LYS 11 2HZ LYS 11 -6.873 -2.847 4.809
59 HA PRO 12 HA PRO 12 -8.824 -4.342 -3.803
60 HB2 PRO 12 1HB PRO 12 -9.849 -1.869 -3.357
61 HB3 PRO 12 2HB PRO 12 -10.594 -3.344 -2.730
62 HG2 PRO 12 1HG PRO 12 -8.812 -1.383 -1.337
63 HG3 PRO 12 2HG PRO 12 -10.287 -2.171 -0.746
64 HD2 PRO 12 1HD PRO 12 -7.807 -3.017 -0.060
65 HD3 PRO 12 2HD PRO 12 -9.183 -4.127 -0.226
66 H TYR 13 H TYR 13 -6.592 -2.135 -2.255
67 HA TYR 13 HA TYR 13 -5.541 -1.408 -4.887
68 HB2 TYR 13 1HB TYR 13 -5.934 0.692 -2.761
69 HB3 TYR 13 2HB TYR 13 -5.513 0.923 -4.454
70 HD1 TYR 13 HD2 TYR 13 -7.256 0.455 -6.213
71 HD2 TYR 13 HD1 TYR 13 -8.189 0.621 -2.065
72 HE1 TYR 13 HE2 TYR 13 -9.633 0.765 -6.765
73 HE2 TYR 13 HE1 TYR 13 -10.568 0.929 -2.606
74 HH TYR 13 HH TYR 13 -11.986 0.180 -5.156
75 H LYS 14 H LYS 14 -3.347 -1.006 -4.937
76 HA LYS 14 HA LYS 14 -1.875 -1.114 -2.406
77 HB2 LYS 14 1HB LYS 14 -1.995 -3.419 -3.305
78 HB3 LYS 14 2HB LYS 14 -1.245 -2.860 -4.794
79 HG2 LYS 14 1HG LYS 14 0.815 -2.523 -3.780
80 HG3 LYS 14 2HG LYS 14 0.116 -2.464 -2.160
81 HD2 LYS 14 1HD LYS 14 1.019 -4.566 -2.124
82 HD3 LYS 14 2HD LYS 14 -0.588 -4.939 -2.751
83 HE2 LYS 14 1HE LYS 14 1.722 -4.346 -4.575
84 HE3 LYS 14 2HE LYS 14 1.436 -5.967 -3.942
85 HZ1 LYS 14 3HZ LYS 14 -0.998 -5.187 -4.882
86 HZ2 LYS 14 1HZ LYS 14 0.085 -6.218 -5.673
87 HZ3 LYS 14 2HZ LYS 14 0.075 -4.566 -6.033
88 H CYS 15 H CYS 15 0.270 -0.278 -2.519
89 HA CYS 15 HA CYS 15 0.525 1.894 -4.373
90 HB2 CYS 15 1HB CYS 15 1.271 2.241 -2.113
91 HB3 CYS 15 2HB CYS 15 2.347 0.851 -2.200
92 H GLU 16 H GLU 16 2.317 2.256 -5.794
93 HA GLU 16 HA GLU 16 3.227 -0.219 -7.055
94 HB2 GLU 16 1HB GLU 16 2.110 1.816 -8.263
95 HB3 GLU 16 2HB GLU 16 3.722 2.513 -8.181
96 HG2 GLU 16 1HG GLU 16 3.404 -0.238 -9.265
97 HG3 GLU 16 2HG GLU 16 2.941 1.137 -10.267
98 H GLU 17 H GLU 17 4.455 2.702 -5.535
99 HA GLU 17 HA GLU 17 7.169 2.397 -6.177
100 HB2 GLU 17 1HB GLU 17 5.648 3.851 -4.063
101 HB3 GLU 17 2HB GLU 17 7.385 3.668 -3.856
102 HG2 GLU 17 1HG GLU 17 7.192 5.708 -4.921
103 HG3 GLU 17 2HG GLU 17 7.558 4.601 -6.243
104 H CYS 18 H CYS 18 5.438 1.473 -3.198
105 HA CYS 18 HA CYS 18 7.540 -0.539 -2.723
106 HB2 CYS 18 1HB CYS 18 7.183 -0.234 -0.313
107 HB3 CYS 18 2HB CYS 18 7.680 1.272 -1.078
108 H GLY 19 H GLY 19 4.122 0.261 -2.548
109 HA2 GLY 19 1HA GLY 19 2.293 -1.139 -2.737
110 HA3 GLY 19 2HA GLY 19 3.399 -2.492 -2.916
111 H LYS 20 H LYS 20 2.305 -0.196 -0.421
112 HA LYS 20 HA LYS 20 2.865 -2.053 1.699
113 HB2 LYS 20 1HB LYS 20 3.073 0.335 2.102
114 HB3 LYS 20 2HB LYS 20 1.382 0.581 1.686
115 HG2 LYS 20 1HG LYS 20 1.520 0.649 4.041
116 HG3 LYS 20 2HG LYS 20 0.797 -0.906 3.626
117 HD2 LYS 20 1HD LYS 20 3.226 -1.793 3.730
118 HD3 LYS 20 2HD LYS 20 3.558 -0.311 4.629
119 HE2 LYS 20 1HE LYS 20 3.085 -1.984 6.238
120 HE3 LYS 20 2HE LYS 20 1.660 -0.948 6.158
121 HZ1 LYS 20 3HZ LYS 20 2.005 -3.659 5.019
122 HZ2 LYS 20 1HZ LYS 20 0.738 -2.638 4.555
123 HZ3 LYS 20 2HZ LYS 20 0.871 -3.144 6.164
124 H GLY 21 H GLY 21 -0.039 -0.866 0.055
125 HA2 GLY 21 1HA GLY 21 -1.910 -2.306 -0.338
126 HA3 GLY 21 2HA GLY 21 -1.478 -3.204 1.109
127 H PHE 22 H PHE 22 -3.757 -1.257 -0.095
128 HA PHE 22 HA PHE 22 -4.589 -0.399 2.569
129 HB2 PHE 22 1HB PHE 22 -4.639 1.504 0.222
130 HB3 PHE 22 2HB PHE 22 -5.076 1.858 1.890
131 HD1 PHE 22 HD1 PHE 22 -2.290 1.186 -0.409
132 HD2 PHE 22 HD2 PHE 22 -3.416 2.349 3.528
133 HE1 PHE 22 HE1 PHE 22 0.022 1.900 0.038
134 HE2 PHE 22 HE2 PHE 22 -1.106 3.066 3.980
135 HZ PHE 22 HZ PHE 22 0.616 2.843 2.234
136 H ILE 23 H ILE 23 -6.892 0.535 2.440
137 HA ILE 23 HA ILE 23 -8.448 -1.212 0.658
138 HB ILE 23 HB ILE 23 -9.497 0.172 3.118
139 HG12 ILE 23 1HG1 ILE 23 -8.660 -2.708 3.107
140 HG13 ILE 23 2HG1 ILE 23 -7.467 -1.454 3.426
141 HG21 ILE 23 1HG2 ILE 23 -11.428 -0.822 2.639
142 HG22 ILE 23 2HG2 ILE 23 -10.734 -1.250 1.075
143 HG23 ILE 23 3HG2 ILE 23 -10.643 -2.386 2.421
144 HD11 ILE 23 3HD1 ILE 23 -9.838 -1.048 5.007
145 HD12 ILE 23 1HD1 ILE 23 -9.169 -2.661 5.255
146 HD13 ILE 23 2HD1 ILE 23 -8.161 -1.237 5.515
147 H CYS 24 H CYS 24 -8.403 2.071 2.019
148 HA CYS 24 HA CYS 24 -10.340 2.937 0.011
149 HB2 CYS 24 1HB CYS 24 -9.162 4.324 2.423
150 HB3 CYS 24 2HB CYS 24 -10.254 5.108 1.288
151 HG CYS 24 HG CYS 24 -11.556 2.265 2.349
152 H ARG 25 H ARG 25 -9.690 3.778 -1.846
153 HA ARG 25 HA ARG 25 -7.152 4.072 -2.754
154 HB2 ARG 25 1HB ARG 25 -9.534 5.790 -3.468
155 HB3 ARG 25 2HB ARG 25 -8.044 5.716 -4.400
156 HG2 ARG 25 1HG ARG 25 -8.446 3.530 -5.097
157 HG3 ARG 25 2HG ARG 25 -9.636 3.246 -3.825
158 HD2 ARG 25 1HD ARG 25 -11.281 4.467 -4.917
159 HD3 ARG 25 2HD ARG 25 -10.111 5.351 -5.896
160 HE ARG 25 HE ARG 25 -11.356 2.884 -6.551
161 HH11 ARG 25 1HH1 ARG 25 -8.374 4.653 -6.865
162 HH12 ARG 25 2HH1 ARG 25 -7.897 3.847 -8.323
163 HH21 ARG 25 1HH2 ARG 25 -10.740 1.816 -8.471
164 HH22 ARG 25 2HH2 ARG 25 -9.244 2.234 -9.236
165 H ARG 26 H ARG 26 -9.042 6.528 -1.041
166 HA ARG 26 HA ARG 26 -7.475 8.742 -1.254
167 HB2 ARG 26 1HB ARG 26 -9.627 8.208 0.196
168 HB3 ARG 26 2HB ARG 26 -8.439 8.037 1.481
169 HG2 ARG 26 1HG ARG 26 -8.499 10.475 -0.256
170 HG3 ARG 26 2HG ARG 26 -9.559 10.316 1.147
171 HD2 ARG 26 1HD ARG 26 -6.554 10.067 1.212
172 HD3 ARG 26 2HD ARG 26 -7.453 11.521 1.641
173 HE ARG 26 HE ARG 26 -8.259 9.191 3.115
174 HH11 ARG 26 1HH1 ARG 26 -6.010 11.844 2.963
175 HH12 ARG 26 2HH1 ARG 26 -5.680 11.833 4.664
176 HH21 ARG 26 1HH2 ARG 26 -7.833 9.166 5.356
177 HH22 ARG 26 2HH2 ARG 26 -6.717 10.309 6.024
178 H ASP 27 H ASP 27 -7.003 6.091 1.067
179 HA ASP 27 HA ASP 27 -4.731 7.140 2.332
180 HB2 ASP 27 1HB ASP 27 -5.777 4.339 1.989
181 HB3 ASP 27 2HB ASP 27 -4.270 4.655 2.845
182 H LEU 28 H LEU 28 -4.990 4.828 -0.361
183 HA LEU 28 HA LEU 28 -2.372 4.238 -0.825
184 HB2 LEU 28 1HB LEU 28 -3.990 3.196 -2.170
185 HB3 LEU 28 2HB LEU 28 -4.629 4.737 -2.737
186 HG LEU 28 HG LEU 28 -2.604 5.083 -4.071
187 HD11 LEU 28 1HD1 LEU 28 -0.928 3.960 -2.849
188 HD12 LEU 28 2HD1 LEU 28 -1.091 3.081 -4.369
189 HD13 LEU 28 3HD1 LEU 28 -1.810 2.433 -2.895
190 HD21 LEU 28 3HD2 LEU 28 -2.981 2.748 -5.401
191 HD22 LEU 28 1HD2 LEU 28 -4.040 4.153 -5.526
192 HD23 LEU 28 2HD2 LEU 28 -4.454 2.832 -4.434
193 H TYR 29 H TYR 29 -4.089 6.982 -2.327
194 HA TYR 29 HA TYR 29 -1.851 8.131 -3.543
195 HB2 TYR 29 1HB TYR 29 -4.501 9.244 -2.661
196 HB3 TYR 29 2HB TYR 29 -3.277 10.284 -3.379
197 HD1 TYR 29 HD1 TYR 29 -5.216 7.169 -4.018
198 HD2 TYR 29 HD2 TYR 29 -3.117 10.467 -5.698
199 HE1 TYR 29 HE1 TYR 29 -5.977 6.503 -6.260
200 HE2 TYR 29 HE2 TYR 29 -3.873 9.811 -7.945
201 HH TYR 29 HH TYR 29 -6.317 7.988 -8.604
202 H THR 30 H THR 30 -3.446 9.095 -0.502
203 HA THR 30 HA THR 30 -1.793 11.097 0.328
204 HB THR 30 HB THR 30 -2.877 8.946 2.156
205 HG1 THR 30 HG1 THR 30 -4.618 10.631 2.319
206 HG21 THR 30 3HG2 THR 30 -2.534 11.843 2.839
207 HG22 THR 30 1HG2 THR 30 -1.178 10.726 2.982
208 HG23 THR 30 2HG2 THR 30 -2.649 10.451 3.915
209 H HIS 31 H HIS 31 -1.263 7.615 0.773
210 HA HIS 31 HA HIS 31 1.014 7.655 2.323
211 HB2 HIS 31 1HB HIS 31 0.243 5.514 1.977
212 HB3 HIS 31 2HB HIS 31 -0.052 5.781 0.261
213 HD1 HIS 31 HD1 HIS 31 2.889 5.314 2.620
214 HD2 HIS 31 HD2 HIS 31 1.857 4.740 -1.364
215 HE1 HIS 31 HE1 HIS 31 4.846 4.123 1.583
216 H HIS 32 H HIS 32 0.766 7.957 -1.201
217 HA HIS 32 HA HIS 32 3.299 7.851 -2.078
218 HB2 HIS 32 1HB HIS 32 1.292 8.521 -3.428
219 HB3 HIS 32 2HB HIS 32 1.468 10.151 -2.784
220 HD1 HIS 32 HD1 HIS 32 1.994 11.215 -5.044
221 HD2 HIS 32 HD2 HIS 32 4.605 8.155 -4.006
222 HE1 HIS 32 HE1 HIS 32 3.888 11.360 -6.692
223 H MET 33 H MET 33 1.972 10.364 -0.034
224 HA MET 33 HA MET 33 3.786 12.389 -0.222
225 HB2 MET 33 1HB MET 33 2.480 11.238 2.243
226 HB3 MET 33 2HB MET 33 3.413 12.729 2.262
227 HG2 MET 33 1HG MET 33 1.039 12.302 0.472
228 HG3 MET 33 2HG MET 33 0.920 12.985 2.092
229 HE1 MET 33 3HE MET 33 0.585 15.649 -0.989
230 HE2 MET 33 1HE MET 33 1.200 14.136 -1.655
231 HE3 MET 33 2HE MET 33 -0.131 14.113 -0.498
232 H VAL 34 H VAL 34 4.137 9.479 1.801
233 HA VAL 34 HA VAL 34 6.621 10.053 2.908
234 HB VAL 34 HB VAL 34 6.869 7.692 3.340
235 HG11 VAL 34 1HG1 VAL 34 4.042 8.701 3.550
236 HG12 VAL 34 2HG1 VAL 34 4.587 7.199 4.300
237 HG13 VAL 34 3HG1 VAL 34 5.305 8.737 4.780
238 HG21 VAL 34 3HG2 VAL 34 6.403 6.412 1.534
239 HG22 VAL 34 1HG2 VAL 34 4.821 6.295 2.305
240 HG23 VAL 34 2HG2 VAL 34 5.082 7.453 1.001
241 H HIS 35 H HIS 35 5.791 8.893 -0.274
242 HA HIS 35 HA HIS 35 8.496 8.152 -0.951
243 HB2 HIS 35 1HB HIS 35 5.915 8.302 -2.491
244 HB3 HIS 35 2HB HIS 35 7.449 8.017 -3.306
245 HD1 HIS 35 HD1 HIS 35 8.792 6.009 -1.519
246 HD2 HIS 35 HD2 HIS 35 4.733 5.873 -2.395
247 HE1 HIS 35 HE1 HIS 35 8.100 3.623 -1.130
248 H THR 36 H THR 36 6.447 10.948 -1.240
249 HA THR 36 HA THR 36 8.295 12.284 -3.055
250 HB THR 36 HB THR 36 6.676 14.171 -2.952
251 HG1 THR 36 HG1 THR 36 5.015 14.110 -1.604
252 HG21 THR 36 3HG2 THR 36 4.859 11.963 -3.554
253 HG22 THR 36 1HG2 THR 36 6.448 11.787 -4.297
254 HG23 THR 36 2HG2 THR 36 5.485 13.232 -4.606
255 H GLY 37 H GLY 37 8.966 11.561 -0.214
256 HA2 GLY 37 1HA GLY 37 9.023 13.889 1.378
257 HA3 GLY 37 2HA GLY 37 10.070 12.490 1.571
258 H GLU 38 H GLU 38 11.695 12.390 -0.456
259 HA GLU 38 HA GLU 38 12.737 15.055 -1.034
260 HB2 GLU 38 1HB GLU 38 13.773 14.101 1.114
261 HB3 GLU 38 2HB GLU 38 14.577 12.941 0.066
262 HG2 GLU 38 1HG GLU 38 16.048 14.787 0.558
263 HG3 GLU 38 2HG GLU 38 15.632 14.781 -1.155
264 H LYS 39 H LYS 39 13.513 15.204 -3.045
265 HA LYS 39 HA LYS 39 13.610 12.782 -4.662
266 HB2 LYS 39 1HB LYS 39 13.650 15.718 -5.353
267 HB3 LYS 39 2HB LYS 39 13.884 14.455 -6.554
268 HG2 LYS 39 1HG LYS 39 11.467 14.483 -4.786
269 HG3 LYS 39 2HG LYS 39 11.539 15.446 -6.264
270 HD2 LYS 39 1HD LYS 39 12.065 13.374 -7.526
271 HD3 LYS 39 2HD LYS 39 11.841 12.452 -6.038
272 HE2 LYS 39 1HE LYS 39 9.818 12.340 -7.328
273 HE3 LYS 39 2HE LYS 39 9.526 13.337 -5.903
274 HZ1 LYS 39 3HZ LYS 39 9.897 15.307 -7.322
275 HZ2 LYS 39 1HZ LYS 39 8.558 14.390 -7.799
276 HZ3 LYS 39 2HZ LYS 39 10.003 14.293 -8.672
277 HA PRO 40 HA PRO 40 18.003 12.507 -4.688
278 HB2 PRO 40 1HB PRO 40 18.345 11.184 -7.034
279 HB3 PRO 40 2HB PRO 40 17.718 10.407 -5.576
280 HG2 PRO 40 1HG PRO 40 16.229 11.467 -7.946
281 HG3 PRO 40 2HG PRO 40 15.981 9.955 -7.054
282 HD2 PRO 40 1HD PRO 40 14.433 12.143 -6.670
283 HD3 PRO 40 2HD PRO 40 14.805 10.995 -5.367
284 H SER 41 H SER 41 16.616 13.332 -7.875
285 HA SER 41 HA SER 41 18.705 15.393 -8.143
286 HB2 SER 41 1HB SER 41 19.029 13.381 -9.642
287 HB3 SER 41 2HB SER 41 17.525 13.829 -10.446
288 HG SER 41 HG SER 41 18.475 15.788 -11.035
289 H GLY 42 H GLY 42 17.936 17.386 -8.338
290 HA2 GLY 42 1HA GLY 42 16.587 19.074 -9.271
291 HA3 GLY 42 2HA GLY 42 15.430 17.847 -9.763
292 HA PRO 43 HA PRO 43 14.722 18.904 -5.063
293 HB2 PRO 43 1HB PRO 43 15.616 21.361 -4.332
294 HB3 PRO 43 2HB PRO 43 16.592 19.896 -4.170
295 HG2 PRO 43 1HG PRO 43 16.662 21.992 -6.306
296 HG3 PRO 43 2HG PRO 43 18.011 21.185 -5.486
297 HD2 PRO 43 1HD PRO 43 17.169 20.466 -7.957
298 HD3 PRO 43 2HD PRO 43 17.850 19.301 -6.804
299 H SER 44 H SER 44 12.605 19.058 -5.806
300 HA SER 44 HA SER 44 11.631 21.521 -6.965
301 HB2 SER 44 1HB SER 44 10.235 18.957 -6.176
302 HB3 SER 44 2HB SER 44 9.417 20.331 -6.918
303 HG SER 44 HG SER 44 11.324 19.991 -8.523
304 H SER 45 H SER 45 10.857 23.192 -5.869
305 HA SER 45 HA SER 45 10.660 23.103 -3.008
306 HB2 SER 45 1HB SER 45 10.111 25.485 -3.180
307 HB3 SER 45 2HB SER 45 11.507 25.100 -4.185
308 HG SER 45 HG SER 45 9.178 26.181 -4.914
309 H GLY 46 H GLY 46 8.798 23.560 -1.749
310 HA2 GLY 46 1HA GLY 46 6.239 23.077 -3.143
311 HA3 GLY 46 2HA GLY 46 6.645 22.238 -1.652
Start of MODEL 8
1 H1 GLY 1 H GLY 1 8.126 -15.276 -11.395
2 HA2 GLY 1 1HA GLY 1 6.718 -17.083 -13.202
3 HA3 GLY 1 2HA GLY 1 8.470 -17.217 -13.169
4 H SER 2 H SER 2 5.547 -18.100 -11.673
5 HA SER 2 HA SER 2 6.913 -19.901 -9.900
6 HB2 SER 2 1HB SER 2 6.002 -19.058 -7.813
7 HB3 SER 2 2HB SER 2 6.935 -17.780 -8.593
8 HG SER 2 HG SER 2 4.113 -18.069 -8.735
9 H SER 3 H SER 3 5.793 -21.721 -9.983
10 HA SER 3 HA SER 3 3.097 -21.757 -10.987
11 HB2 SER 3 1HB SER 3 4.687 -23.502 -11.648
12 HB3 SER 3 2HB SER 3 4.847 -24.009 -9.967
13 HG SER 3 HG SER 3 2.346 -24.140 -10.285
14 H GLY 4 H GLY 4 1.239 -22.419 -9.914
15 HA2 GLY 4 1HA GLY 4 -0.213 -22.464 -8.134
16 HA3 GLY 4 2HA GLY 4 1.011 -23.467 -7.368
17 H SER 5 H SER 5 0.377 -20.035 -8.094
18 HA SER 5 HA SER 5 1.851 -19.250 -5.712
19 HB2 SER 5 1HB SER 5 2.173 -17.961 -7.780
20 HB3 SER 5 2HB SER 5 0.455 -17.563 -7.805
21 HG SER 5 HG SER 5 2.486 -16.456 -6.347
22 H SER 6 H SER 6 0.756 -19.534 -3.869
23 HA SER 6 HA SER 6 -1.994 -19.590 -3.523
24 HB2 SER 6 1HB SER 6 -0.184 -20.302 -1.873
25 HB3 SER 6 2HB SER 6 -0.076 -18.604 -1.409
26 HG SER 6 HG SER 6 -1.525 -19.806 -0.082
27 H GLY 7 H GLY 7 -3.405 -18.058 -2.412
28 HA2 GLY 7 1HA GLY 7 -2.714 -15.304 -2.189
29 HA3 GLY 7 2HA GLY 7 -3.599 -15.606 -3.677
30 H THR 8 H THR 8 -3.755 -15.657 -0.179
31 HA THR 8 HA THR 8 -6.551 -16.372 -0.126
32 HB THR 8 HB THR 8 -6.362 -15.855 2.329
33 HG1 THR 8 HG1 THR 8 -3.924 -15.789 2.868
34 HG21 THR 8 3HG2 THR 8 -4.346 -17.778 1.162
35 HG22 THR 8 1HG2 THR 8 -6.038 -18.123 1.518
36 HG23 THR 8 2HG2 THR 8 -4.911 -17.788 2.833
37 H GLY 9 H GLY 9 -6.406 -14.242 -1.755
38 HA2 GLY 9 1HA GLY 9 -7.938 -12.415 -1.883
39 HA3 GLY 9 2HA GLY 9 -7.729 -12.160 -0.157
40 H GLU 10 H GLU 10 -7.592 -9.947 -1.535
41 HA GLU 10 HA GLU 10 -4.990 -8.967 -1.061
42 HB2 GLU 10 1HB GLU 10 -4.291 -8.438 -3.339
43 HB3 GLU 10 2HB GLU 10 -4.466 -10.175 -3.132
44 HG2 GLU 10 1HG GLU 10 -6.631 -8.466 -4.313
45 HG3 GLU 10 2HG GLU 10 -5.348 -9.185 -5.283
46 H LYS 11 H LYS 11 -5.006 -6.780 -0.887
47 HA LYS 11 HA LYS 11 -7.443 -5.415 -0.766
48 HB2 LYS 11 1HB LYS 11 -4.721 -4.149 -1.103
49 HB3 LYS 11 2HB LYS 11 -6.146 -3.422 -0.374
50 HG2 LYS 11 1HG LYS 11 -5.099 -5.933 0.815
51 HG3 LYS 11 2HG LYS 11 -4.197 -4.439 1.083
52 HD2 LYS 11 1HD LYS 11 -5.618 -4.339 2.866
53 HD3 LYS 11 2HD LYS 11 -6.616 -3.520 1.661
54 HE2 LYS 11 1HE LYS 11 -8.120 -5.032 2.505
55 HE3 LYS 11 2HE LYS 11 -7.453 -5.954 1.159
56 HZ1 LYS 11 3HZ LYS 11 -7.599 -6.839 3.688
57 HZ2 LYS 11 1HZ LYS 11 -6.014 -6.250 3.645
58 HZ3 LYS 11 2HZ LYS 11 -6.510 -7.425 2.534
59 HA PRO 12 HA PRO 12 -8.282 -4.154 -4.891
60 HB2 PRO 12 1HB PRO 12 -9.574 -1.810 -4.437
61 HB3 PRO 12 2HB PRO 12 -10.300 -3.387 -4.106
62 HG2 PRO 12 1HG PRO 12 -8.986 -1.472 -2.217
63 HG3 PRO 12 2HG PRO 12 -10.477 -2.409 -2.003
64 HD2 PRO 12 1HD PRO 12 -8.113 -3.163 -0.917
65 HD3 PRO 12 2HD PRO 12 -9.336 -4.334 -1.451
66 H TYR 13 H TYR 13 -6.593 -1.966 -2.738
67 HA TYR 13 HA TYR 13 -5.310 -0.733 -5.085
68 HB2 TYR 13 1HB TYR 13 -6.090 0.601 -2.487
69 HB3 TYR 13 2HB TYR 13 -5.084 1.349 -3.722
70 HD1 TYR 13 HD2 TYR 13 -6.056 1.949 -5.913
71 HD2 TYR 13 HD1 TYR 13 -8.465 0.440 -2.747
72 HE1 TYR 13 HE2 TYR 13 -8.071 2.766 -7.064
73 HE2 TYR 13 HE1 TYR 13 -10.486 1.251 -3.890
74 HH TYR 13 HH TYR 13 -10.468 2.309 -7.125
75 H LYS 14 H LYS 14 -3.188 -1.022 -5.167
76 HA LYS 14 HA LYS 14 -1.730 -1.510 -2.655
77 HB2 LYS 14 1HB LYS 14 -2.057 -3.598 -3.979
78 HB3 LYS 14 2HB LYS 14 -1.179 -2.852 -5.307
79 HG2 LYS 14 1HG LYS 14 0.754 -2.579 -3.696
80 HG3 LYS 14 2HG LYS 14 -0.136 -3.644 -2.605
81 HD2 LYS 14 1HD LYS 14 1.272 -5.099 -3.760
82 HD3 LYS 14 2HD LYS 14 -0.263 -5.246 -4.618
83 HE2 LYS 14 1HE LYS 14 1.205 -5.009 -6.371
84 HE3 LYS 14 2HE LYS 14 0.726 -3.334 -6.103
85 HZ1 LYS 14 3HZ LYS 14 2.880 -2.897 -5.915
86 HZ2 LYS 14 1HZ LYS 14 3.299 -4.536 -5.863
87 HZ3 LYS 14 2HZ LYS 14 2.867 -3.727 -4.442
88 H CYS 15 H CYS 15 0.548 -0.956 -2.714
89 HA CYS 15 HA CYS 15 1.003 1.423 -4.339
90 HB2 CYS 15 1HB CYS 15 1.391 1.258 -1.789
91 HB3 CYS 15 2HB CYS 15 2.860 0.383 -2.212
92 H GLU 16 H GLU 16 2.455 1.562 -5.947
93 HA GLU 16 HA GLU 16 3.912 -0.879 -6.654
94 HB2 GLU 16 1HB GLU 16 2.928 1.488 -8.194
95 HB3 GLU 16 2HB GLU 16 4.287 0.567 -8.821
96 HG2 GLU 16 1HG GLU 16 3.018 -1.323 -9.176
97 HG3 GLU 16 2HG GLU 16 1.793 -0.848 -8.001
98 H GLU 17 H GLU 17 4.527 1.704 -4.846
99 HA GLU 17 HA GLU 17 7.173 2.307 -5.926
100 HB2 GLU 17 1HB GLU 17 5.433 3.543 -3.822
101 HB3 GLU 17 2HB GLU 17 7.160 3.872 -3.833
102 HG2 GLU 17 1HG GLU 17 5.489 4.265 -6.285
103 HG3 GLU 17 2HG GLU 17 5.599 5.504 -5.036
104 H CYS 18 H CYS 18 5.670 1.028 -2.980
105 HA CYS 18 HA CYS 18 8.270 -0.167 -2.279
106 HB2 CYS 18 1HB CYS 18 7.620 0.065 0.107
107 HB3 CYS 18 2HB CYS 18 7.803 1.616 -0.706
108 H GLY 19 H GLY 19 4.744 -0.440 -1.979
109 HA2 GLY 19 1HA GLY 19 3.795 -2.608 -2.689
110 HA3 GLY 19 2HA GLY 19 5.100 -3.368 -1.789
111 H LYS 20 H LYS 20 2.298 -1.226 -1.376
112 HA LYS 20 HA LYS 20 1.825 -2.517 1.227
113 HB2 LYS 20 1HB LYS 20 2.706 -0.055 1.217
114 HB3 LYS 20 2HB LYS 20 1.056 0.342 0.752
115 HG2 LYS 20 1HG LYS 20 1.152 0.579 3.089
116 HG3 LYS 20 2HG LYS 20 0.305 -0.942 2.792
117 HD2 LYS 20 1HD LYS 20 2.354 -2.185 3.227
118 HD3 LYS 20 2HD LYS 20 3.235 -0.675 3.470
119 HE2 LYS 20 1HE LYS 20 1.776 -0.150 5.375
120 HE3 LYS 20 2HE LYS 20 0.929 -1.677 5.138
121 HZ1 LYS 20 3HZ LYS 20 3.832 -1.459 5.716
122 HZ2 LYS 20 1HZ LYS 20 2.909 -2.876 5.660
123 HZ3 LYS 20 2HZ LYS 20 2.650 -1.747 6.892
124 H GLY 21 H GLY 21 -0.431 -2.469 1.935
125 HA2 GLY 21 1HA GLY 21 -2.273 -2.438 -0.376
126 HA3 GLY 21 2HA GLY 21 -2.394 -3.584 0.951
127 H PHE 22 H PHE 22 -4.175 -1.380 -0.231
128 HA PHE 22 HA PHE 22 -4.996 -0.313 2.371
129 HB2 PHE 22 1HB PHE 22 -4.983 1.425 -0.093
130 HB3 PHE 22 2HB PHE 22 -5.234 1.912 1.581
131 HD1 PHE 22 HD1 PHE 22 -2.694 0.576 -0.764
132 HD2 PHE 22 HD2 PHE 22 -3.441 2.598 2.906
133 HE1 PHE 22 HE1 PHE 22 -0.295 1.084 -0.560
134 HE2 PHE 22 HE2 PHE 22 -1.044 3.110 3.116
135 HZ PHE 22 HZ PHE 22 0.533 2.354 1.381
136 H ILE 23 H ILE 23 -7.230 0.578 2.311
137 HA ILE 23 HA ILE 23 -8.899 -1.123 0.609
138 HB ILE 23 HB ILE 23 -9.822 0.539 2.947
139 HG12 ILE 23 1HG1 ILE 23 -9.331 -2.394 3.201
140 HG13 ILE 23 2HG1 ILE 23 -7.949 -1.308 3.305
141 HG21 ILE 23 1HG2 ILE 23 -11.781 -0.102 2.050
142 HG22 ILE 23 2HG2 ILE 23 -11.045 -1.404 1.118
143 HG23 ILE 23 3HG2 ILE 23 -11.422 -1.645 2.824
144 HD11 ILE 23 3HD1 ILE 23 -10.221 -0.497 4.948
145 HD12 ILE 23 1HD1 ILE 23 -9.526 -2.056 5.389
146 HD13 ILE 23 2HD1 ILE 23 -8.509 -0.616 5.350
147 H CYS 24 H CYS 24 -8.891 2.235 1.819
148 HA CYS 24 HA CYS 24 -10.617 3.030 -0.391
149 HB2 CYS 24 1HB CYS 24 -9.641 4.450 2.084
150 HB3 CYS 24 2HB CYS 24 -10.510 5.287 0.803
151 HG CYS 24 HG CYS 24 -12.551 4.937 2.445
152 H ARG 25 H ARG 25 -10.080 5.067 -1.565
153 HA ARG 25 HA ARG 25 -7.476 4.842 -2.718
154 HB2 ARG 25 1HB ARG 25 -9.718 6.821 -3.134
155 HB3 ARG 25 2HB ARG 25 -8.215 6.855 -4.047
156 HG2 ARG 25 1HG ARG 25 -9.492 5.657 -5.487
157 HG3 ARG 25 2HG ARG 25 -8.862 4.332 -4.506
158 HD2 ARG 25 1HD ARG 25 -11.313 4.210 -4.918
159 HD3 ARG 25 2HD ARG 25 -10.874 4.249 -3.211
160 HE ARG 25 HE ARG 25 -11.491 6.825 -4.359
161 HH11 ARG 25 1HH1 ARG 25 -12.727 4.008 -2.728
162 HH12 ARG 25 2HH1 ARG 25 -14.118 4.824 -2.094
163 HH21 ARG 25 1HH2 ARG 25 -13.318 7.910 -3.530
164 HH22 ARG 25 2HH2 ARG 25 -14.453 7.044 -2.551
165 H ARG 26 H ARG 26 -9.115 7.402 -0.860
166 HA ARG 26 HA ARG 26 -7.247 9.345 -0.738
167 HB2 ARG 26 1HB ARG 26 -9.140 8.278 1.312
168 HB3 ARG 26 2HB ARG 26 -7.971 9.499 1.800
169 HG2 ARG 26 1HG ARG 26 -9.942 10.657 1.238
170 HG3 ARG 26 2HG ARG 26 -8.827 10.908 -0.107
171 HD2 ARG 26 1HD ARG 26 -9.972 9.358 -1.472
172 HD3 ARG 26 2HD ARG 26 -10.888 8.720 -0.107
173 HE ARG 26 HE ARG 26 -11.709 11.258 -0.151
174 HH11 ARG 26 1HH1 ARG 26 -11.347 8.926 -2.710
175 HH12 ARG 26 2HH1 ARG 26 -12.629 9.586 -3.670
176 HH21 ARG 26 1HH2 ARG 26 -13.399 12.136 -1.406
177 HH22 ARG 26 2HH2 ARG 26 -13.795 11.412 -2.928
178 H ASP 27 H ASP 27 -7.292 6.515 1.428
179 HA ASP 27 HA ASP 27 -5.012 7.046 2.890
180 HB2 ASP 27 1HB ASP 27 -6.745 5.072 3.006
181 HB3 ASP 27 2HB ASP 27 -5.559 4.238 2.006
182 H LEU 28 H LEU 28 -5.219 5.120 -0.104
183 HA LEU 28 HA LEU 28 -2.580 4.480 -0.451
184 HB2 LEU 28 1HB LEU 28 -4.246 3.629 -1.934
185 HB3 LEU 28 2HB LEU 28 -4.643 5.250 -2.503
186 HG LEU 28 HG LEU 28 -2.470 5.395 -3.614
187 HD11 LEU 28 1HD1 LEU 28 -2.054 2.777 -2.254
188 HD12 LEU 28 2HD1 LEU 28 -0.946 4.135 -2.453
189 HD13 LEU 28 3HD1 LEU 28 -1.288 3.070 -3.816
190 HD21 LEU 28 3HD2 LEU 28 -2.905 3.233 -5.115
191 HD22 LEU 28 1HD2 LEU 28 -3.937 4.662 -5.180
192 HD23 LEU 28 2HD2 LEU 28 -4.429 3.261 -4.227
193 H TYR 29 H TYR 29 -4.120 7.297 -2.013
194 HA TYR 29 HA TYR 29 -1.825 8.509 -2.952
195 HB2 TYR 29 1HB TYR 29 -4.320 9.885 -1.933
196 HB3 TYR 29 2HB TYR 29 -3.115 10.600 -2.999
197 HD1 TYR 29 HD2 TYR 29 -2.603 8.843 -5.093
198 HD2 TYR 29 HD1 TYR 29 -6.278 9.345 -3.008
199 HE1 TYR 29 HE2 TYR 29 -3.824 7.991 -7.051
200 HE2 TYR 29 HE1 TYR 29 -7.509 8.493 -4.959
201 HH TYR 29 HH TYR 29 -6.648 8.444 -7.798
202 H THR 30 H THR 30 -3.414 8.965 0.189
203 HA THR 30 HA THR 30 -1.864 10.971 1.255
204 HB THR 30 HB THR 30 -2.821 8.561 2.809
205 HG1 THR 30 HG1 THR 30 -4.629 10.237 3.148
206 HG21 THR 30 3HG2 THR 30 -2.746 11.354 3.856
207 HG22 THR 30 1HG2 THR 30 -1.247 10.429 3.788
208 HG23 THR 30 2HG2 THR 30 -2.616 9.824 4.723
209 H HIS 31 H HIS 31 -1.108 7.546 0.961
210 HA HIS 31 HA HIS 31 1.227 7.577 2.563
211 HB2 HIS 31 1HB HIS 31 0.254 5.458 2.154
212 HB3 HIS 31 2HB HIS 31 0.230 5.717 0.412
213 HD1 HIS 31 HD1 HIS 31 3.136 5.978 2.855
214 HD2 HIS 31 HD2 HIS 31 1.981 3.892 -0.548
215 HE1 HIS 31 HE1 HIS 31 5.120 4.566 2.226
216 H HIS 32 H HIS 32 0.836 7.569 -0.983
217 HA HIS 32 HA HIS 32 3.374 7.705 -1.864
218 HB2 HIS 32 1HB HIS 32 1.130 7.984 -3.152
219 HB3 HIS 32 2HB HIS 32 1.415 9.710 -2.943
220 HD1 HIS 32 HD1 HIS 32 1.902 10.258 -5.363
221 HD2 HIS 32 HD2 HIS 32 4.296 7.204 -3.877
222 HE1 HIS 32 HE1 HIS 32 3.658 9.864 -7.120
223 H MET 33 H MET 33 1.689 10.215 -0.119
224 HA MET 33 HA MET 33 3.073 12.488 -0.593
225 HB2 MET 33 1HB MET 33 2.177 11.347 2.050
226 HB3 MET 33 2HB MET 33 2.845 12.967 1.899
227 HG2 MET 33 1HG MET 33 1.044 13.714 0.609
228 HG3 MET 33 2HG MET 33 0.504 12.074 0.260
229 HE1 MET 33 3HE MET 33 -1.594 14.677 2.777
230 HE2 MET 33 1HE MET 33 -0.783 14.750 1.212
231 HE3 MET 33 2HE MET 33 -2.165 13.678 1.440
232 H VAL 34 H VAL 34 4.153 9.878 1.569
233 HA VAL 34 HA VAL 34 6.641 11.123 2.190
234 HB VAL 34 HB VAL 34 7.248 9.069 3.275
235 HG11 VAL 34 1HG1 VAL 34 5.852 10.022 4.776
236 HG12 VAL 34 2HG1 VAL 34 4.522 10.150 3.622
237 HG13 VAL 34 3HG1 VAL 34 4.860 8.610 4.414
238 HG21 VAL 34 3HG2 VAL 34 6.191 6.995 2.968
239 HG22 VAL 34 1HG2 VAL 34 4.814 7.723 2.140
240 HG23 VAL 34 2HG2 VAL 34 6.384 7.645 1.339
241 H HIS 35 H HIS 35 5.517 9.075 -0.371
242 HA HIS 35 HA HIS 35 8.067 8.132 -1.226
243 HB2 HIS 35 1HB HIS 35 5.298 8.115 -2.317
244 HB3 HIS 35 2HB HIS 35 6.619 7.880 -3.458
245 HD1 HIS 35 HD1 HIS 35 8.485 6.049 -2.025
246 HD2 HIS 35 HD2 HIS 35 4.357 5.644 -1.779
247 HE1 HIS 35 HE1 HIS 35 8.082 3.655 -1.369
248 H THR 36 H THR 36 6.074 10.921 -2.000
249 HA THR 36 HA THR 36 7.983 11.808 -4.026
250 HB THR 36 HB THR 36 5.624 12.019 -4.600
251 HG1 THR 36 HG1 THR 36 6.870 14.537 -4.097
252 HG21 THR 36 3HG2 THR 36 4.125 13.481 -3.396
253 HG22 THR 36 1HG2 THR 36 5.408 13.934 -2.275
254 HG23 THR 36 2HG2 THR 36 4.782 12.286 -2.278
255 H GLY 37 H GLY 37 6.996 12.478 -0.761
256 HA2 GLY 37 1HA GLY 37 8.525 14.975 -0.705
257 HA3 GLY 37 2HA GLY 37 7.478 14.372 0.572
258 H GLU 38 H GLU 38 10.408 13.301 -1.163
259 HA GLU 38 HA GLU 38 11.954 13.234 1.237
260 HB2 GLU 38 1HB GLU 38 10.480 11.144 1.350
261 HB3 GLU 38 2HB GLU 38 11.427 10.539 -0.002
262 HG2 GLU 38 1HG GLU 38 13.451 11.107 1.553
263 HG3 GLU 38 2HG GLU 38 12.235 10.998 2.824
264 H LYS 39 H LYS 39 14.156 12.906 0.850
265 HA LYS 39 HA LYS 39 14.901 13.081 -1.980
266 HB2 LYS 39 1HB LYS 39 16.265 13.914 0.569
267 HB3 LYS 39 2HB LYS 39 17.154 13.786 -0.943
268 HG2 LYS 39 1HG LYS 39 16.566 16.036 -0.793
269 HG3 LYS 39 2HG LYS 39 15.390 15.349 -1.916
270 HD2 LYS 39 1HD LYS 39 13.856 15.064 0.082
271 HD3 LYS 39 2HD LYS 39 14.995 16.071 0.980
272 HE2 LYS 39 1HE LYS 39 13.294 17.516 0.187
273 HE3 LYS 39 2HE LYS 39 14.708 17.805 -0.825
274 HZ1 LYS 39 3HZ LYS 39 13.736 16.813 -2.627
275 HZ2 LYS 39 1HZ LYS 39 12.373 17.493 -1.890
276 HZ3 LYS 39 2HZ LYS 39 12.704 15.845 -1.699
277 HA PRO 40 HA PRO 40 16.836 9.143 -2.079
278 HB2 PRO 40 1HB PRO 40 18.969 9.624 -3.689
279 HB3 PRO 40 2HB PRO 40 17.308 9.554 -4.290
280 HG2 PRO 40 1HG PRO 40 18.983 11.944 -3.624
281 HG3 PRO 40 2HG PRO 40 17.912 11.681 -5.012
282 HD2 PRO 40 1HD PRO 40 17.174 13.152 -2.862
283 HD3 PRO 40 2HD PRO 40 16.015 12.195 -3.807
284 H SER 41 H SER 41 17.804 8.331 -0.327
285 HA SER 41 HA SER 41 20.384 9.490 0.504
286 HB2 SER 41 1HB SER 41 19.870 9.057 2.783
287 HB3 SER 41 2HB SER 41 18.421 9.799 2.105
288 HG SER 41 HG SER 41 17.364 8.029 2.495
289 H GLY 42 H GLY 42 22.021 8.172 0.083
290 HA2 GLY 42 1HA GLY 42 22.213 5.538 1.007
291 HA3 GLY 42 2HA GLY 42 21.725 5.474 -0.681
292 HA PRO 43 HA PRO 43 25.976 5.652 -1.774
293 HB2 PRO 43 1HB PRO 43 25.735 6.542 -4.328
294 HB3 PRO 43 2HB PRO 43 25.324 4.893 -3.842
295 HG2 PRO 43 1HG PRO 43 23.523 7.244 -4.282
296 HG3 PRO 43 2HG PRO 43 23.302 5.557 -4.781
297 HD2 PRO 43 1HD PRO 43 22.077 6.605 -2.605
298 HD3 PRO 43 2HD PRO 43 22.575 4.903 -2.693
299 H SER 44 H SER 44 23.928 8.472 -2.297
300 HA SER 44 HA SER 44 26.148 10.270 -2.650
301 HB2 SER 44 1HB SER 44 23.176 10.529 -2.548
302 HB3 SER 44 2HB SER 44 24.144 11.969 -2.230
303 HG SER 44 HG SER 44 25.278 11.172 -4.287
304 H SER 45 H SER 45 26.873 11.840 -1.208
305 HA SER 45 HA SER 45 26.525 11.133 1.594
306 HB2 SER 45 1HB SER 45 28.412 12.728 1.960
307 HB3 SER 45 2HB SER 45 28.806 11.431 0.832
308 HG SER 45 HG SER 45 29.483 13.231 -0.181
309 H GLY 46 H GLY 46 24.477 11.928 2.078
310 HA2 GLY 46 1HA GLY 46 24.346 14.604 2.952
311 HA3 GLY 46 2HA GLY 46 23.496 14.467 1.420
Start of MODEL 9
1 H1 GLY 1 H GLY 1 15.976 -5.694 14.755
2 HA2 GLY 1 1HA GLY 1 14.618 -7.219 12.638
3 HA3 GLY 1 2HA GLY 1 15.082 -7.847 14.213
4 H SER 2 H SER 2 12.487 -7.172 12.447
5 HA SER 2 HA SER 2 10.835 -6.721 14.816
6 HB2 SER 2 1HB SER 2 10.962 -4.497 13.998
7 HB3 SER 2 2HB SER 2 10.796 -5.022 12.323
8 HG SER 2 HG SER 2 8.813 -5.083 14.349
9 H SER 3 H SER 3 9.632 -8.501 14.873
10 HA SER 3 HA SER 3 8.602 -9.603 12.350
11 HB2 SER 3 1HB SER 3 9.973 -11.004 14.062
12 HB3 SER 3 2HB SER 3 8.475 -11.033 14.992
13 HG SER 3 HG SER 3 8.789 -11.908 12.308
14 H GLY 4 H GLY 4 6.465 -9.691 11.936
15 HA2 GLY 4 1HA GLY 4 4.434 -9.673 13.908
16 HA3 GLY 4 2HA GLY 4 4.660 -8.048 13.278
17 H SER 5 H SER 5 2.326 -9.760 13.056
18 HA SER 5 HA SER 5 1.686 -9.300 10.351
19 HB2 SER 5 1HB SER 5 3.083 -11.200 9.840
20 HB3 SER 5 2HB SER 5 2.303 -12.169 11.089
21 HG SER 5 HG SER 5 1.152 -11.203 8.684
22 H SER 6 H SER 6 -0.378 -8.770 10.522
23 HA SER 6 HA SER 6 -2.074 -10.283 12.398
24 HB2 SER 6 1HB SER 6 -1.605 -7.715 12.700
25 HB3 SER 6 2HB SER 6 -2.811 -7.545 11.424
26 HG SER 6 HG SER 6 -4.334 -8.359 12.726
27 H GLY 7 H GLY 7 -2.505 -11.852 10.744
28 HA2 GLY 7 1HA GLY 7 -3.543 -12.676 8.838
29 HA3 GLY 7 2HA GLY 7 -4.895 -11.781 9.517
30 H THR 8 H THR 8 -1.914 -11.036 7.703
31 HA THR 8 HA THR 8 -3.180 -8.841 6.346
32 HB THR 8 HB THR 8 -1.026 -8.807 5.009
33 HG1 THR 8 HG1 THR 8 0.580 -10.198 5.583
34 HG21 THR 8 3HG2 THR 8 -0.086 -8.736 7.780
35 HG22 THR 8 1HG2 THR 8 -1.596 -7.863 7.520
36 HG23 THR 8 2HG2 THR 8 -0.164 -7.448 6.578
37 H GLY 9 H GLY 9 -4.809 -9.464 5.011
38 HA2 GLY 9 1HA GLY 9 -4.427 -11.718 3.203
39 HA3 GLY 9 2HA GLY 9 -5.906 -10.794 3.420
40 H GLU 10 H GLU 10 -6.370 -10.250 1.353
41 HA GLU 10 HA GLU 10 -4.280 -8.877 -0.196
42 HB2 GLU 10 1HB GLU 10 -5.668 -9.365 -2.176
43 HB3 GLU 10 2HB GLU 10 -5.192 -10.826 -1.321
44 HG2 GLU 10 1HG GLU 10 -7.414 -10.864 -0.236
45 HG3 GLU 10 2HG GLU 10 -7.878 -9.475 -1.216
46 H LYS 11 H LYS 11 -4.525 -6.803 -0.811
47 HA LYS 11 HA LYS 11 -6.943 -5.416 0.113
48 HB2 LYS 11 1HB LYS 11 -4.300 -4.184 -0.673
49 HB3 LYS 11 2HB LYS 11 -5.631 -3.402 0.169
50 HG2 LYS 11 1HG LYS 11 -4.364 -5.791 1.408
51 HG3 LYS 11 2HG LYS 11 -3.513 -4.246 1.461
52 HD2 LYS 11 1HD LYS 11 -4.721 -4.071 3.389
53 HD3 LYS 11 2HD LYS 11 -5.889 -3.385 2.258
54 HE2 LYS 11 1HE LYS 11 -7.239 -4.885 3.317
55 HE3 LYS 11 2HE LYS 11 -6.610 -5.923 2.038
56 HZ1 LYS 11 3HZ LYS 11 -4.762 -6.280 3.914
57 HZ2 LYS 11 1HZ LYS 11 -6.138 -7.255 3.770
58 HZ3 LYS 11 2HZ LYS 11 -6.110 -5.994 4.897
59 HA PRO 12 HA PRO 12 -8.276 -4.591 -3.993
60 HB2 PRO 12 1HB PRO 12 -9.598 -2.252 -3.606
61 HB3 PRO 12 2HB PRO 12 -10.224 -3.811 -3.058
62 HG2 PRO 12 1HG PRO 12 -8.786 -1.697 -1.503
63 HG3 PRO 12 2HG PRO 12 -10.207 -2.651 -1.043
64 HD2 PRO 12 1HD PRO 12 -7.714 -3.237 -0.166
65 HD3 PRO 12 2HD PRO 12 -8.942 -4.486 -0.455
66 H TYR 13 H TYR 13 -6.560 -2.063 -2.239
67 HA TYR 13 HA TYR 13 -5.484 -1.104 -4.808
68 HB2 TYR 13 1HB TYR 13 -5.880 0.678 -2.410
69 HB3 TYR 13 2HB TYR 13 -5.549 1.148 -4.074
70 HD1 TYR 13 HD2 TYR 13 -7.373 0.575 -5.822
71 HD2 TYR 13 HD1 TYR 13 -8.071 0.653 -1.625
72 HE1 TYR 13 HE2 TYR 13 -9.784 0.832 -6.233
73 HE2 TYR 13 HE1 TYR 13 -10.484 0.908 -2.025
74 HH TYR 13 HH TYR 13 -11.766 1.542 -5.181
75 H LYS 14 H LYS 14 -3.368 -1.366 -4.967
76 HA LYS 14 HA LYS 14 -1.762 -1.417 -2.495
77 HB2 LYS 14 1HB LYS 14 -1.996 -3.639 -3.633
78 HB3 LYS 14 2HB LYS 14 -1.184 -2.952 -5.034
79 HG2 LYS 14 1HG LYS 14 0.596 -3.918 -4.015
80 HG3 LYS 14 2HG LYS 14 0.643 -2.343 -3.220
81 HD2 LYS 14 1HD LYS 14 0.770 -3.696 -1.385
82 HD3 LYS 14 2HD LYS 14 -0.984 -3.560 -1.522
83 HE2 LYS 14 1HE LYS 14 0.452 -5.757 -2.949
84 HE3 LYS 14 2HE LYS 14 0.135 -5.900 -1.221
85 HZ1 LYS 14 3HZ LYS 14 -1.637 -6.294 -3.386
86 HZ2 LYS 14 1HZ LYS 14 -2.230 -5.060 -2.391
87 HZ3 LYS 14 2HZ LYS 14 -1.892 -6.583 -1.738
88 H CYS 15 H CYS 15 0.276 -0.450 -2.545
89 HA CYS 15 HA CYS 15 0.513 1.776 -4.321
90 HB2 CYS 15 1HB CYS 15 1.255 2.023 -2.039
91 HB3 CYS 15 2HB CYS 15 2.370 0.671 -2.207
92 H GLU 16 H GLU 16 2.301 2.229 -5.723
93 HA GLU 16 HA GLU 16 3.287 -0.189 -7.052
94 HB2 GLU 16 1HB GLU 16 2.870 2.647 -7.934
95 HB3 GLU 16 2HB GLU 16 3.966 1.600 -8.824
96 HG2 GLU 16 1HG GLU 16 1.954 1.397 -9.958
97 HG3 GLU 16 2HG GLU 16 2.011 -0.042 -8.941
98 H GLU 17 H GLU 17 4.364 2.739 -5.458
99 HA GLU 17 HA GLU 17 7.081 2.628 -6.174
100 HB2 GLU 17 1HB GLU 17 5.583 3.872 -3.890
101 HB3 GLU 17 2HB GLU 17 7.340 3.907 -3.924
102 HG2 GLU 17 1HG GLU 17 5.516 5.022 -6.042
103 HG3 GLU 17 2HG GLU 17 6.379 5.956 -4.821
104 H CYS 18 H CYS 18 5.379 1.380 -3.311
105 HA CYS 18 HA CYS 18 7.624 -0.480 -2.902
106 HB2 CYS 18 1HB CYS 18 7.372 -0.250 -0.485
107 HB3 CYS 18 2HB CYS 18 7.714 1.315 -1.214
108 H GLY 19 H GLY 19 4.183 0.173 -2.538
109 HA2 GLY 19 1HA GLY 19 2.420 -1.316 -2.775
110 HA3 GLY 19 2HA GLY 19 3.586 -2.620 -2.945
111 H LYS 20 H LYS 20 2.274 -0.391 -0.502
112 HA LYS 20 HA LYS 20 2.903 -2.274 1.617
113 HB2 LYS 20 1HB LYS 20 3.178 0.199 1.896
114 HB3 LYS 20 2HB LYS 20 1.429 0.359 1.797
115 HG2 LYS 20 1HG LYS 20 1.087 -0.651 3.849
116 HG3 LYS 20 2HG LYS 20 2.660 -1.452 3.830
117 HD2 LYS 20 1HD LYS 20 2.538 1.530 3.862
118 HD3 LYS 20 2HD LYS 20 2.248 0.638 5.357
119 HE2 LYS 20 1HE LYS 20 4.559 1.139 5.320
120 HE3 LYS 20 2HE LYS 20 4.419 -0.570 4.912
121 HZ1 LYS 20 3HZ LYS 20 4.498 1.417 2.750
122 HZ2 LYS 20 1HZ LYS 20 5.009 -0.196 2.745
123 HZ3 LYS 20 2HZ LYS 20 5.941 0.984 3.520
124 H GLY 21 H GLY 21 0.031 -0.886 0.068
125 HA2 GLY 21 1HA GLY 21 -1.915 -2.235 -0.323
126 HA3 GLY 21 2HA GLY 21 -1.511 -3.165 1.112
127 H PHE 22 H PHE 22 -3.747 -1.169 -0.016
128 HA PHE 22 HA PHE 22 -4.409 -0.188 2.660
129 HB2 PHE 22 1HB PHE 22 -4.573 1.568 0.203
130 HB3 PHE 22 2HB PHE 22 -4.967 2.027 1.857
131 HD1 PHE 22 HD1 PHE 22 -2.197 1.048 -0.385
132 HD2 PHE 22 HD2 PHE 22 -3.309 2.795 3.333
133 HE1 PHE 22 HE1 PHE 22 0.122 1.795 -0.046
134 HE2 PHE 22 HE2 PHE 22 -0.992 3.546 3.677
135 HZ PHE 22 HZ PHE 22 0.728 3.047 1.986
136 H ILE 23 H ILE 23 -6.684 0.457 2.859
137 HA ILE 23 HA ILE 23 -8.369 -1.311 1.266
138 HB ILE 23 HB ILE 23 -9.038 0.297 3.734
139 HG12 ILE 23 1HG1 ILE 23 -8.852 -2.686 3.663
140 HG13 ILE 23 2HG1 ILE 23 -7.366 -1.748 3.760
141 HG21 ILE 23 1HG2 ILE 23 -11.135 -0.034 2.991
142 HG22 ILE 23 2HG2 ILE 23 -10.651 -1.324 1.891
143 HG23 ILE 23 3HG2 ILE 23 -10.892 -1.670 3.603
144 HD11 ILE 23 3HD1 ILE 23 -7.657 -1.714 5.952
145 HD12 ILE 23 1HD1 ILE 23 -9.024 -0.633 5.685
146 HD13 ILE 23 2HD1 ILE 23 -9.286 -2.373 5.811
147 H CYS 24 H CYS 24 -8.329 2.093 2.310
148 HA CYS 24 HA CYS 24 -10.327 2.730 0.274
149 HB2 CYS 24 1HB CYS 24 -9.261 4.158 2.685
150 HB3 CYS 24 2HB CYS 24 -10.058 5.073 1.411
151 HG CYS 24 HG CYS 24 -12.520 4.275 1.857
152 H ARG 25 H ARG 25 -9.936 3.995 -1.480
153 HA ARG 25 HA ARG 25 -7.388 4.094 -2.585
154 HB2 ARG 25 1HB ARG 25 -9.983 5.432 -3.184
155 HB3 ARG 25 2HB ARG 25 -8.537 6.044 -3.976
156 HG2 ARG 25 1HG ARG 25 -8.100 3.669 -4.724
157 HG3 ARG 25 2HG ARG 25 -9.734 3.298 -4.169
158 HD2 ARG 25 1HD ARG 25 -10.618 5.029 -5.675
159 HD3 ARG 25 2HD ARG 25 -8.981 5.353 -6.246
160 HE ARG 25 HE ARG 25 -10.670 3.130 -6.968
161 HH11 ARG 25 1HH1 ARG 25 -7.414 4.354 -6.810
162 HH12 ARG 25 2HH1 ARG 25 -6.816 3.291 -8.041
163 HH21 ARG 25 1HH2 ARG 25 -9.895 1.726 -8.590
164 HH22 ARG 25 2HH2 ARG 25 -8.228 1.798 -9.053
165 H ARG 26 H ARG 26 -9.253 6.846 -1.285
166 HA ARG 26 HA ARG 26 -7.567 8.903 -1.474
167 HB2 ARG 26 1HB ARG 26 -9.775 8.761 -0.178
168 HB3 ARG 26 2HB ARG 26 -8.797 8.293 1.206
169 HG2 ARG 26 1HG ARG 26 -7.501 10.423 0.872
170 HG3 ARG 26 2HG ARG 26 -8.733 10.891 -0.301
171 HD2 ARG 26 1HD ARG 26 -9.554 11.870 1.607
172 HD3 ARG 26 2HD ARG 26 -10.380 10.313 1.647
173 HE ARG 26 HE ARG 26 -9.145 9.728 3.500
174 HH11 ARG 26 1HH1 ARG 26 -7.857 12.637 2.087
175 HH12 ARG 26 2HH1 ARG 26 -6.809 12.979 3.424
176 HH21 ARG 26 1HH2 ARG 26 -7.770 10.166 5.266
177 HH22 ARG 26 2HH2 ARG 26 -6.760 11.572 5.231
178 H ASP 27 H ASP 27 -7.291 6.411 1.047
179 HA ASP 27 HA ASP 27 -5.088 7.406 2.401
180 HB2 ASP 27 1HB ASP 27 -6.532 5.400 3.009
181 HB3 ASP 27 2HB ASP 27 -5.543 4.468 1.888
182 H LEU 28 H LEU 28 -5.112 5.096 -0.312
183 HA LEU 28 HA LEU 28 -2.443 4.627 -0.619
184 HB2 LEU 28 1HB LEU 28 -3.992 3.505 -2.017
185 HB3 LEU 28 2HB LEU 28 -4.580 5.021 -2.697
186 HG LEU 28 HG LEU 28 -2.446 5.319 -3.866
187 HD11 LEU 28 1HD1 LEU 28 -0.636 4.257 -3.156
188 HD12 LEU 28 2HD1 LEU 28 -1.334 2.743 -3.731
189 HD13 LEU 28 3HD1 LEU 28 -1.601 3.261 -2.067
190 HD21 LEU 28 3HD2 LEU 28 -3.102 2.584 -4.688
191 HD22 LEU 28 1HD2 LEU 28 -3.149 4.090 -5.605
192 HD23 LEU 28 2HD2 LEU 28 -4.492 3.661 -4.546
193 H TYR 29 H TYR 29 -4.153 7.150 -2.478
194 HA TYR 29 HA TYR 29 -2.019 8.426 -3.594
195 HB2 TYR 29 1HB TYR 29 -4.469 9.780 -2.446
196 HB3 TYR 29 2HB TYR 29 -3.392 10.459 -3.661
197 HD1 TYR 29 HD2 TYR 29 -2.983 8.445 -5.609
198 HD2 TYR 29 HD1 TYR 29 -6.510 9.241 -3.367
199 HE1 TYR 29 HE2 TYR 29 -4.338 7.423 -7.389
200 HE2 TYR 29 HE1 TYR 29 -7.875 8.220 -5.140
201 HH TYR 29 HH TYR 29 -7.433 6.440 -7.007
202 H THR 30 H THR 30 -3.331 8.969 -0.346
203 HA THR 30 HA THR 30 -1.616 11.073 0.382
204 HB THR 30 HB THR 30 -2.896 9.014 2.190
205 HG1 THR 30 HG1 THR 30 -4.412 10.182 0.912
206 HG21 THR 30 3HG2 THR 30 -1.491 10.041 3.658
207 HG22 THR 30 1HG2 THR 30 -2.789 11.234 3.676
208 HG23 THR 30 2HG2 THR 30 -1.359 11.502 2.679
209 H HIS 31 H HIS 31 -1.322 7.564 0.789
210 HA HIS 31 HA HIS 31 0.979 7.475 2.334
211 HB2 HIS 31 1HB HIS 31 0.024 5.393 2.077
212 HB3 HIS 31 2HB HIS 31 -0.277 5.626 0.357
213 HD1 HIS 31 HD1 HIS 31 2.627 4.953 2.705
214 HD2 HIS 31 HD2 HIS 31 1.545 4.431 -1.272
215 HE1 HIS 31 HE1 HIS 31 4.473 3.587 1.679
216 H HIS 32 H HIS 32 0.614 7.949 -1.130
217 HA HIS 32 HA HIS 32 3.195 7.556 -2.015
218 HB2 HIS 32 1HB HIS 32 1.216 8.099 -3.446
219 HB3 HIS 32 2HB HIS 32 1.363 9.779 -2.937
220 HD1 HIS 32 HD1 HIS 32 2.333 11.060 -4.807
221 HD2 HIS 32 HD2 HIS 32 4.113 7.326 -4.415
222 HE1 HIS 32 HE1 HIS 32 4.139 10.989 -6.555
223 H MET 33 H MET 33 1.912 10.164 -0.105
224 HA MET 33 HA MET 33 3.726 12.188 -0.501
225 HB2 MET 33 1HB MET 33 2.242 11.255 1.932
226 HB3 MET 33 2HB MET 33 3.382 12.589 2.054
227 HG2 MET 33 1HG MET 33 1.000 13.252 1.720
228 HG3 MET 33 2HG MET 33 2.133 13.914 0.544
229 HE1 MET 33 3HE MET 33 -0.426 14.421 -0.171
230 HE2 MET 33 1HE MET 33 0.426 14.322 -1.712
231 HE3 MET 33 2HE MET 33 -1.117 13.493 -1.503
232 H VAL 34 H VAL 34 4.053 9.420 1.708
233 HA VAL 34 HA VAL 34 6.466 10.021 2.887
234 HB VAL 34 HB VAL 34 6.677 7.775 3.478
235 HG11 VAL 34 1HG1 VAL 34 4.158 8.965 3.552
236 HG12 VAL 34 2HG1 VAL 34 3.866 7.299 3.046
237 HG13 VAL 34 3HG1 VAL 34 4.733 7.628 4.547
238 HG21 VAL 34 3HG2 VAL 34 5.653 5.921 2.184
239 HG22 VAL 34 1HG2 VAL 34 5.175 7.091 0.954
240 HG23 VAL 34 2HG2 VAL 34 6.884 6.805 1.282
241 H HIS 35 H HIS 35 5.879 8.563 -0.276
242 HA HIS 35 HA HIS 35 8.618 8.042 -0.849
243 HB2 HIS 35 1HB HIS 35 6.186 8.258 -2.628
244 HB3 HIS 35 2HB HIS 35 7.782 7.802 -3.217
245 HD1 HIS 35 HD1 HIS 35 8.788 5.553 -2.076
246 HD2 HIS 35 HD2 HIS 35 4.700 6.186 -1.685
247 HE1 HIS 35 HE1 HIS 35 7.818 3.318 -1.450
248 H THR 36 H THR 36 6.508 10.788 -1.263
249 HA THR 36 HA THR 36 8.429 12.193 -2.936
250 HB THR 36 HB THR 36 6.785 14.019 -2.967
251 HG1 THR 36 HG1 THR 36 5.645 14.023 -1.147
252 HG21 THR 36 3HG2 THR 36 5.499 11.334 -3.472
253 HG22 THR 36 1HG2 THR 36 6.594 12.158 -4.581
254 HG23 THR 36 2HG2 THR 36 5.029 12.873 -4.193
255 H GLY 37 H GLY 37 8.969 11.441 -0.075
256 HA2 GLY 37 1HA GLY 37 9.764 14.138 0.800
257 HA3 GLY 37 2HA GLY 37 8.975 13.050 1.933
258 H GLU 38 H GLU 38 11.913 13.866 0.319
259 HA GLU 38 HA GLU 38 13.474 11.620 0.684
260 HB2 GLU 38 1HB GLU 38 14.199 13.678 -0.492
261 HB3 GLU 38 2HB GLU 38 14.351 14.489 1.061
262 HG2 GLU 38 1HG GLU 38 16.519 13.873 0.615
263 HG3 GLU 38 2HG GLU 38 15.963 12.554 1.643
264 H LYS 39 H LYS 39 14.801 10.850 2.325
265 HA LYS 39 HA LYS 39 15.002 12.106 4.875
266 HB2 LYS 39 1HB LYS 39 13.661 10.673 6.204
267 HB3 LYS 39 2HB LYS 39 12.637 11.196 4.873
268 HG2 LYS 39 1HG LYS 39 13.433 8.988 3.750
269 HG3 LYS 39 2HG LYS 39 13.831 8.515 5.404
270 HD2 LYS 39 1HD LYS 39 11.138 9.662 4.806
271 HD3 LYS 39 2HD LYS 39 11.473 7.976 4.406
272 HE2 LYS 39 1HE LYS 39 10.545 7.939 6.570
273 HE3 LYS 39 2HE LYS 39 12.280 7.721 6.798
274 HZ1 LYS 39 3HZ LYS 39 10.658 9.652 7.945
275 HZ2 LYS 39 1HZ LYS 39 11.644 10.470 6.840
276 HZ3 LYS 39 2HZ LYS 39 12.341 9.524 8.056
277 HA PRO 40 HA PRO 40 18.533 9.479 4.938
278 HB2 PRO 40 1HB PRO 40 19.134 9.622 7.582
279 HB3 PRO 40 2HB PRO 40 19.420 10.956 6.458
280 HG2 PRO 40 1HG PRO 40 17.157 10.546 8.374
281 HG3 PRO 40 2HG PRO 40 18.069 12.025 8.021
282 HD2 PRO 40 1HD PRO 40 15.624 11.534 6.966
283 HD3 PRO 40 2HD PRO 40 16.870 12.455 6.100
284 H SER 41 H SER 41 17.984 7.389 4.526
285 HA SER 41 HA SER 41 17.268 5.739 6.844
286 HB2 SER 41 1HB SER 41 15.788 5.993 4.272
287 HB3 SER 41 2HB SER 41 15.926 4.381 4.974
288 HG SER 41 HG SER 41 14.093 5.326 5.804
289 H GLY 42 H GLY 42 17.990 3.574 6.752
290 HA2 GLY 42 1HA GLY 42 20.514 3.152 5.705
291 HA3 GLY 42 2HA GLY 42 19.416 1.865 6.182
292 HA PRO 43 HA PRO 43 20.012 2.322 1.419
293 HB2 PRO 43 1HB PRO 43 22.227 0.810 1.003
294 HB3 PRO 43 2HB PRO 43 22.292 2.558 1.257
295 HG2 PRO 43 1HG PRO 43 22.791 0.340 3.205
296 HG3 PRO 43 2HG PRO 43 23.696 1.847 2.969
297 HD2 PRO 43 1HD PRO 43 21.899 1.525 4.969
298 HD3 PRO 43 2HD PRO 43 22.185 3.092 4.186
299 H SER 44 H SER 44 19.521 0.084 3.797
300 HA SER 44 HA SER 44 19.533 -2.341 2.305
301 HB2 SER 44 1HB SER 44 18.009 -1.693 4.840
302 HB3 SER 44 2HB SER 44 18.369 -3.304 4.218
303 HG SER 44 HG SER 44 19.812 -2.478 5.901
304 H SER 45 H SER 45 16.855 -0.306 3.494
305 HA SER 45 HA SER 45 14.758 -1.645 2.295
306 HB2 SER 45 1HB SER 45 13.507 0.467 2.450
307 HB3 SER 45 2HB SER 45 14.449 0.181 3.913
308 HG SER 45 HG SER 45 15.432 1.750 1.777
309 H GLY 46 H GLY 46 14.519 -2.197 0.236
310 HA2 GLY 46 1HA GLY 46 14.706 -2.157 -2.062
311 HA3 GLY 46 2HA GLY 46 14.103 -0.517 -1.874
Start of MODEL 10
1 H1 GLY 1 H GLY 1 14.813 -9.630 0.706
2 HA2 GLY 1 1HA GLY 1 12.026 -10.056 1.546
3 HA3 GLY 1 2HA GLY 1 12.575 -8.829 0.414
4 H SER 2 H SER 2 13.233 -12.318 0.514
5 HA SER 2 HA SER 2 12.727 -12.556 -2.298
6 HB2 SER 2 1HB SER 2 14.397 -13.905 -0.833
7 HB3 SER 2 2HB SER 2 12.997 -14.901 -0.435
8 HG SER 2 HG SER 2 14.124 -15.718 -2.242
9 H SER 3 H SER 3 10.993 -13.417 -3.335
10 HA SER 3 HA SER 3 8.479 -13.347 -2.054
11 HB2 SER 3 1HB SER 3 9.026 -13.015 -4.549
12 HB3 SER 3 2HB SER 3 8.998 -14.775 -4.658
13 HG SER 3 HG SER 3 6.897 -13.012 -3.983
14 H GLY 4 H GLY 4 7.237 -14.896 -1.150
15 HA2 GLY 4 1HA GLY 4 6.635 -17.331 -1.253
16 HA3 GLY 4 2HA GLY 4 8.360 -17.629 -1.093
17 H SER 5 H SER 5 6.526 -18.743 0.655
18 HA SER 5 HA SER 5 5.804 -18.786 2.849
19 HB2 SER 5 1HB SER 5 8.206 -19.583 2.790
20 HB3 SER 5 2HB SER 5 8.675 -17.972 3.333
21 HG SER 5 HG SER 5 6.895 -18.561 5.022
22 H SER 6 H SER 6 5.097 -16.336 1.760
23 HA SER 6 HA SER 6 4.835 -14.753 4.118
24 HB2 SER 6 1HB SER 6 7.105 -14.063 3.452
25 HB3 SER 6 2HB SER 6 6.497 -13.605 1.861
26 HG SER 6 HG SER 6 6.660 -11.822 3.314
27 H GLY 7 H GLY 7 3.297 -13.074 3.893
28 HA2 GLY 7 1HA GLY 7 2.158 -12.344 1.394
29 HA3 GLY 7 2HA GLY 7 1.179 -13.576 2.175
30 H THR 8 H THR 8 0.264 -10.983 1.595
31 HA THR 8 HA THR 8 -0.258 -10.024 4.322
32 HB THR 8 HB THR 8 -0.259 -7.669 3.427
33 HG1 THR 8 HG1 THR 8 1.281 -7.615 1.479
34 HG21 THR 8 3HG2 THR 8 1.768 -7.492 4.341
35 HG22 THR 8 1HG2 THR 8 2.513 -8.336 2.985
36 HG23 THR 8 2HG2 THR 8 1.856 -9.253 4.341
37 H GLY 9 H GLY 9 -2.262 -8.880 4.574
38 HA2 GLY 9 1HA GLY 9 -4.491 -10.017 3.548
39 HA3 GLY 9 2HA GLY 9 -4.452 -8.338 4.065
40 H GLU 10 H GLU 10 -5.793 -9.877 1.793
41 HA GLU 10 HA GLU 10 -4.664 -8.742 -0.595
42 HB2 GLU 10 1HB GLU 10 -7.253 -10.201 -0.061
43 HB3 GLU 10 2HB GLU 10 -6.771 -9.635 -1.655
44 HG2 GLU 10 1HG GLU 10 -6.276 -11.999 -1.349
45 HG3 GLU 10 2HG GLU 10 -4.808 -11.055 -1.596
46 H LYS 11 H LYS 11 -4.699 -6.555 -0.615
47 HA LYS 11 HA LYS 11 -7.190 -5.166 0.045
48 HB2 LYS 11 1HB LYS 11 -4.422 -4.086 -0.522
49 HB3 LYS 11 2HB LYS 11 -5.815 -3.112 -0.069
50 HG2 LYS 11 1HG LYS 11 -4.751 -5.321 1.665
51 HG3 LYS 11 2HG LYS 11 -4.174 -3.656 1.768
52 HD2 LYS 11 1HD LYS 11 -6.428 -2.889 2.275
53 HD3 LYS 11 2HD LYS 11 -7.041 -4.535 2.111
54 HE2 LYS 11 1HE LYS 11 -4.896 -3.799 4.085
55 HE3 LYS 11 2HE LYS 11 -6.613 -3.691 4.473
56 HZ1 LYS 11 3HZ LYS 11 -6.611 -6.133 3.609
57 HZ2 LYS 11 1HZ LYS 11 -6.122 -5.789 5.192
58 HZ3 LYS 11 2HZ LYS 11 -4.964 -6.070 3.992
59 HA PRO 12 HA PRO 12 -8.286 -4.539 -4.170
60 HB2 PRO 12 1HB PRO 12 -9.771 -2.281 -3.913
61 HB3 PRO 12 2HB PRO 12 -10.338 -3.869 -3.384
62 HG2 PRO 12 1HG PRO 12 -9.142 -1.650 -1.770
63 HG3 PRO 12 2HG PRO 12 -10.532 -2.685 -1.392
64 HD2 PRO 12 1HD PRO 12 -8.074 -3.105 -0.336
65 HD3 PRO 12 2HD PRO 12 -9.201 -4.430 -0.688
66 H TYR 13 H TYR 13 -6.368 -2.338 -2.398
67 HA TYR 13 HA TYR 13 -5.405 -1.154 -4.896
68 HB2 TYR 13 1HB TYR 13 -6.020 0.479 -2.425
69 HB3 TYR 13 2HB TYR 13 -5.361 1.085 -3.940
70 HD1 TYR 13 HD2 TYR 13 -6.806 0.969 -6.015
71 HD2 TYR 13 HD1 TYR 13 -8.345 0.276 -2.110
72 HE1 TYR 13 HE2 TYR 13 -9.084 1.376 -6.848
73 HE2 TYR 13 HE1 TYR 13 -10.628 0.680 -2.931
74 HH TYR 13 HH TYR 13 -11.228 1.737 -6.245
75 H LYS 14 H LYS 14 -3.272 -1.303 -5.033
76 HA LYS 14 HA LYS 14 -1.698 -1.407 -2.545
77 HB2 LYS 14 1HB LYS 14 -1.980 -3.643 -3.712
78 HB3 LYS 14 2HB LYS 14 -1.038 -2.974 -5.038
79 HG2 LYS 14 1HG LYS 14 0.908 -2.901 -3.795
80 HG3 LYS 14 2HG LYS 14 0.045 -2.917 -2.255
81 HD2 LYS 14 1HD LYS 14 -0.398 -5.208 -2.393
82 HD3 LYS 14 2HD LYS 14 -0.077 -5.258 -4.128
83 HE2 LYS 14 1HE LYS 14 2.215 -5.229 -3.836
84 HE3 LYS 14 2HE LYS 14 2.106 -4.488 -2.240
85 HZ1 LYS 14 3HZ LYS 14 2.517 -6.571 -1.555
86 HZ2 LYS 14 1HZ LYS 14 1.983 -7.283 -2.994
87 HZ3 LYS 14 2HZ LYS 14 0.863 -6.810 -1.819
88 H CYS 15 H CYS 15 0.289 -0.385 -2.560
89 HA CYS 15 HA CYS 15 0.580 1.757 -4.425
90 HB2 CYS 15 1HB CYS 15 1.243 2.116 -2.139
91 HB3 CYS 15 2HB CYS 15 2.361 0.757 -2.198
92 H GLU 16 H GLU 16 2.456 2.172 -5.747
93 HA GLU 16 HA GLU 16 3.451 -0.285 -6.989
94 HB2 GLU 16 1HB GLU 16 2.339 1.425 -8.409
95 HB3 GLU 16 2HB GLU 16 3.612 2.563 -7.989
96 HG2 GLU 16 1HG GLU 16 5.262 1.028 -9.004
97 HG3 GLU 16 2HG GLU 16 3.933 -0.014 -9.509
98 H GLU 17 H GLU 17 4.547 2.663 -5.424
99 HA GLU 17 HA GLU 17 7.290 2.430 -5.975
100 HB2 GLU 17 1HB GLU 17 5.887 3.680 -3.607
101 HB3 GLU 17 2HB GLU 17 7.594 3.884 -3.975
102 HG2 GLU 17 1HG GLU 17 6.696 4.707 -6.285
103 HG3 GLU 17 2HG GLU 17 5.208 4.978 -5.379
104 H CYS 18 H CYS 18 5.374 1.284 -3.211
105 HA CYS 18 HA CYS 18 7.540 -0.616 -2.612
106 HB2 CYS 18 1HB CYS 18 7.111 -0.336 -0.217
107 HB3 CYS 18 2HB CYS 18 7.581 1.194 -0.951
108 H GLY 19 H GLY 19 4.108 0.118 -2.577
109 HA2 GLY 19 1HA GLY 19 2.284 -1.276 -2.724
110 HA3 GLY 19 2HA GLY 19 3.399 -2.588 -3.073
111 H LYS 20 H LYS 20 1.966 -0.696 -0.456
112 HA LYS 20 HA LYS 20 2.705 -2.768 1.470
113 HB2 LYS 20 1HB LYS 20 2.866 -0.166 1.811
114 HB3 LYS 20 2HB LYS 20 1.156 -0.312 2.198
115 HG2 LYS 20 1HG LYS 20 3.055 -2.149 3.552
116 HG3 LYS 20 2HG LYS 20 3.020 -0.457 4.055
117 HD2 LYS 20 1HD LYS 20 0.465 -1.989 3.790
118 HD3 LYS 20 2HD LYS 20 1.470 -2.195 5.227
119 HE2 LYS 20 1HE LYS 20 0.577 0.497 4.217
120 HE3 LYS 20 2HE LYS 20 -0.354 -0.448 5.378
121 HZ1 LYS 20 3HZ LYS 20 0.894 0.841 6.767
122 HZ2 LYS 20 1HZ LYS 20 2.226 0.902 5.725
123 HZ3 LYS 20 2HZ LYS 20 1.922 -0.495 6.628
124 H GLY 21 H GLY 21 -0.162 -1.154 0.148
125 HA2 GLY 21 1HA GLY 21 -2.092 -2.568 -0.358
126 HA3 GLY 21 2HA GLY 21 -1.761 -3.433 1.135
127 H PHE 22 H PHE 22 -3.872 -1.392 -0.197
128 HA PHE 22 HA PHE 22 -4.682 -0.348 2.406
129 HB2 PHE 22 1HB PHE 22 -4.624 1.452 -0.015
130 HB3 PHE 22 2HB PHE 22 -4.955 1.899 1.655
131 HD1 PHE 22 HD2 PHE 22 -3.055 1.636 3.343
132 HD2 PHE 22 HD1 PHE 22 -2.473 1.596 -0.873
133 HE1 PHE 22 HE2 PHE 22 -0.677 2.176 3.670
134 HE2 PHE 22 HE1 PHE 22 -0.093 2.135 -0.553
135 HZ PHE 22 HZ PHE 22 0.807 2.427 1.721
136 H ILE 23 H ILE 23 -6.887 -0.066 2.641
137 HA ILE 23 HA ILE 23 -8.511 -1.411 0.637
138 HB ILE 23 HB ILE 23 -10.300 -1.354 2.305
139 HG12 ILE 23 1HG1 ILE 23 -9.349 -0.588 4.681
140 HG13 ILE 23 2HG1 ILE 23 -8.394 0.486 3.665
141 HG21 ILE 23 1HG2 ILE 23 -7.792 -2.239 3.697
142 HG22 ILE 23 2HG2 ILE 23 -9.400 -2.958 3.762
143 HG23 ILE 23 3HG2 ILE 23 -8.434 -3.090 2.292
144 HD11 ILE 23 3HD1 ILE 23 -10.409 1.582 4.428
145 HD12 ILE 23 1HD1 ILE 23 -10.449 1.366 2.679
146 HD13 ILE 23 2HD1 ILE 23 -11.396 0.303 3.721
147 H CYS 24 H CYS 24 -7.926 1.779 1.865
148 HA CYS 24 HA CYS 24 -10.198 2.826 0.321
149 HB2 CYS 24 1HB CYS 24 -9.828 4.925 1.627
150 HB3 CYS 24 2HB CYS 24 -10.261 3.538 2.620
151 HG CYS 24 HG CYS 24 -7.150 3.296 2.738
152 H ARG 25 H ARG 25 -9.867 4.751 -0.961
153 HA ARG 25 HA ARG 25 -7.477 4.586 -2.526
154 HB2 ARG 25 1HB ARG 25 -9.794 6.525 -2.607
155 HB3 ARG 25 2HB ARG 25 -8.486 6.497 -3.782
156 HG2 ARG 25 1HG ARG 25 -10.208 5.316 -4.807
157 HG3 ARG 25 2HG ARG 25 -9.140 4.059 -4.180
158 HD2 ARG 25 1HD ARG 25 -10.610 3.452 -2.515
159 HD3 ARG 25 2HD ARG 25 -11.392 5.032 -2.487
160 HE ARG 25 HE ARG 25 -12.035 4.056 -4.930
161 HH11 ARG 25 1HH1 ARG 25 -12.312 2.805 -1.693
162 HH12 ARG 25 2HH1 ARG 25 -13.722 1.861 -2.039
163 HH21 ARG 25 1HH2 ARG 25 -13.892 2.817 -5.398
164 HH22 ARG 25 2HH2 ARG 25 -14.620 1.867 -4.146
165 H ARG 26 H ARG 26 -8.824 6.945 -0.253
166 HA ARG 26 HA ARG 26 -7.099 9.041 -0.502
167 HB2 ARG 26 1HB ARG 26 -9.048 8.745 1.130
168 HB3 ARG 26 2HB ARG 26 -7.886 7.976 2.203
169 HG2 ARG 26 1HG ARG 26 -8.096 10.253 2.855
170 HG3 ARG 26 2HG ARG 26 -6.516 10.054 2.095
171 HD2 ARG 26 1HD ARG 26 -7.580 12.104 1.336
172 HD3 ARG 26 2HD ARG 26 -7.412 10.960 0.005
173 HE ARG 26 HE ARG 26 -9.957 10.794 1.311
174 HH11 ARG 26 1HH1 ARG 26 -8.106 12.498 -1.095
175 HH12 ARG 26 2HH1 ARG 26 -9.498 13.012 -1.990
176 HH21 ARG 26 1HH2 ARG 26 -11.797 11.464 0.141
177 HH22 ARG 26 2HH2 ARG 26 -11.597 12.424 -1.286
178 H ASP 27 H ASP 27 -6.585 6.289 1.712
179 HA ASP 27 HA ASP 27 -4.051 6.952 2.593
180 HB2 ASP 27 1HB ASP 27 -5.558 5.053 3.386
181 HB3 ASP 27 2HB ASP 27 -4.912 4.113 2.045
182 H LEU 28 H LEU 28 -4.919 4.923 -0.200
183 HA LEU 28 HA LEU 28 -2.416 4.213 -1.079
184 HB2 LEU 28 1HB LEU 28 -4.343 3.312 -2.138
185 HB3 LEU 28 2HB LEU 28 -4.895 4.911 -2.634
186 HG LEU 28 HG LEU 28 -3.081 5.063 -4.244
187 HD11 LEU 28 1HD1 LEU 28 -1.730 2.967 -4.670
188 HD12 LEU 28 2HD1 LEU 28 -2.272 2.409 -3.087
189 HD13 LEU 28 3HD1 LEU 28 -1.314 3.883 -3.221
190 HD21 LEU 28 3HD2 LEU 28 -3.967 2.416 -5.019
191 HD22 LEU 28 1HD2 LEU 28 -4.312 3.983 -5.752
192 HD23 LEU 28 2HD2 LEU 28 -5.295 3.404 -4.407
193 H TYR 29 H TYR 29 -4.249 7.049 -2.239
194 HA TYR 29 HA TYR 29 -2.069 8.161 -3.654
195 HB2 TYR 29 1HB TYR 29 -4.626 9.407 -2.634
196 HB3 TYR 29 2HB TYR 29 -3.478 10.241 -3.676
197 HD1 TYR 29 HD2 TYR 29 -3.043 9.323 -5.982
198 HD2 TYR 29 HD1 TYR 29 -6.222 7.915 -3.529
199 HE1 TYR 29 HE2 TYR 29 -4.143 8.369 -7.964
200 HE2 TYR 29 HE1 TYR 29 -7.329 6.955 -5.504
201 HH TYR 29 HH TYR 29 -6.697 7.776 -8.547
202 H THR 30 H THR 30 -3.650 9.418 -0.712
203 HA THR 30 HA THR 30 -1.902 11.361 0.010
204 HB THR 30 HB THR 30 -3.114 9.408 1.975
205 HG1 THR 30 HG1 THR 30 -4.733 10.263 0.649
206 HG21 THR 30 3HG2 THR 30 -1.950 12.160 2.212
207 HG22 THR 30 1HG2 THR 30 -1.656 10.738 3.212
208 HG23 THR 30 2HG2 THR 30 -3.185 11.607 3.343
209 H HIS 31 H HIS 31 -1.466 7.894 0.447
210 HA HIS 31 HA HIS 31 0.741 7.889 2.132
211 HB2 HIS 31 1HB HIS 31 -0.086 5.767 1.798
212 HB3 HIS 31 2HB HIS 31 -0.319 6.014 0.070
213 HD1 HIS 31 HD1 HIS 31 2.587 5.605 2.493
214 HD2 HIS 31 HD2 HIS 31 1.549 4.777 -1.444
215 HE1 HIS 31 HE1 HIS 31 4.522 4.308 1.546
216 H HIS 32 H HIS 32 0.642 8.039 -1.416
217 HA HIS 32 HA HIS 32 3.214 7.880 -2.163
218 HB2 HIS 32 1HB HIS 32 1.060 8.669 -3.471
219 HB3 HIS 32 2HB HIS 32 1.727 10.271 -3.170
220 HD1 HIS 32 HD1 HIS 32 3.870 10.921 -4.435
221 HD2 HIS 32 HD2 HIS 32 2.514 7.085 -5.281
222 HE1 HIS 32 HE1 HIS 32 5.173 10.176 -6.453
223 H MET 33 H MET 33 1.779 10.580 -0.423
224 HA MET 33 HA MET 33 3.623 12.555 -0.608
225 HB2 MET 33 1HB MET 33 2.035 11.563 1.735
226 HB3 MET 33 2HB MET 33 3.159 12.900 1.935
227 HG2 MET 33 1HG MET 33 1.935 13.980 -0.032
228 HG3 MET 33 2HG MET 33 0.688 12.767 0.250
229 HE1 MET 33 3HE MET 33 0.496 15.866 0.188
230 HE2 MET 33 1HE MET 33 -1.039 15.168 0.705
231 HE3 MET 33 2HE MET 33 -0.294 16.457 1.651
232 H VAL 34 H VAL 34 3.818 9.927 1.801
233 HA VAL 34 HA VAL 34 6.256 10.527 2.918
234 HB VAL 34 HB VAL 34 6.349 8.357 3.753
235 HG11 VAL 34 1HG1 VAL 34 4.084 9.662 4.018
236 HG12 VAL 34 2HG1 VAL 34 3.445 8.301 3.094
237 HG13 VAL 34 3HG1 VAL 34 4.260 8.019 4.633
238 HG21 VAL 34 3HG2 VAL 34 6.572 7.097 1.745
239 HG22 VAL 34 1HG2 VAL 34 5.195 6.432 2.623
240 HG23 VAL 34 2HG2 VAL 34 4.930 7.494 1.240
241 H HIS 35 H HIS 35 5.606 8.760 -0.073
242 HA HIS 35 HA HIS 35 8.290 8.011 -0.583
243 HB2 HIS 35 1HB HIS 35 5.796 8.173 -2.237
244 HB3 HIS 35 2HB HIS 35 7.345 7.889 -3.024
245 HD1 HIS 35 HD1 HIS 35 8.705 5.862 -1.382
246 HD2 HIS 35 HD2 HIS 35 4.590 5.782 -1.951
247 HE1 HIS 35 HE1 HIS 35 8.011 3.487 -0.935
248 H THR 36 H THR 36 6.393 10.861 -1.337
249 HA THR 36 HA THR 36 8.344 11.982 -3.122
250 HB THR 36 HB THR 36 6.968 13.983 -3.117
251 HG1 THR 36 HG1 THR 36 4.933 13.669 -1.715
252 HG21 THR 36 3HG2 THR 36 5.251 11.497 -3.133
253 HG22 THR 36 1HG2 THR 36 6.221 12.082 -4.484
254 HG23 THR 36 2HG2 THR 36 4.857 13.035 -3.900
255 H GLY 37 H GLY 37 7.626 12.180 0.298
256 HA2 GLY 37 1HA GLY 37 9.507 14.377 0.681
257 HA3 GLY 37 2HA GLY 37 8.500 13.639 1.919
258 H GLU 38 H GLU 38 11.604 13.893 0.697
259 HA GLU 38 HA GLU 38 12.529 11.295 1.574
260 HB2 GLU 38 1HB GLU 38 13.903 13.722 0.440
261 HB3 GLU 38 2HB GLU 38 14.810 12.349 1.060
262 HG2 GLU 38 1HG GLU 38 12.870 12.365 -1.236
263 HG3 GLU 38 2HG GLU 38 14.615 12.128 -1.306
264 H LYS 39 H LYS 39 13.821 10.875 3.350
265 HA LYS 39 HA LYS 39 13.900 13.011 5.380
266 HB2 LYS 39 1HB LYS 39 13.788 11.247 7.078
267 HB3 LYS 39 2HB LYS 39 12.398 11.183 6.002
268 HG2 LYS 39 1HG LYS 39 13.871 9.439 4.712
269 HG3 LYS 39 2HG LYS 39 14.678 9.290 6.275
270 HD2 LYS 39 1HD LYS 39 11.690 9.116 6.015
271 HD3 LYS 39 2HD LYS 39 12.725 7.705 5.783
272 HE2 LYS 39 1HE LYS 39 13.011 9.395 8.234
273 HE3 LYS 39 2HE LYS 39 11.718 8.201 8.131
274 HZ1 LYS 39 3HZ LYS 39 13.148 6.563 8.504
275 HZ2 LYS 39 1HZ LYS 39 14.301 7.736 8.902
276 HZ3 LYS 39 2HZ LYS 39 14.231 7.118 7.329
277 HA PRO 40 HA PRO 40 18.292 12.715 5.359
278 HB2 PRO 40 1HB PRO 40 18.804 13.681 7.844
279 HB3 PRO 40 2HB PRO 40 18.282 14.708 6.502
280 HG2 PRO 40 1HG PRO 40 16.670 13.561 8.749
281 HG3 PRO 40 2HG PRO 40 16.620 15.192 8.055
282 HD2 PRO 40 1HD PRO 40 14.801 13.286 7.429
283 HD3 PRO 40 2HD PRO 40 15.317 14.529 6.272
284 H SER 41 H SER 41 18.323 10.371 5.311
285 HA SER 41 HA SER 41 19.725 9.249 7.497
286 HB2 SER 41 1HB SER 41 18.101 7.542 8.190
287 HB3 SER 41 2HB SER 41 17.474 9.162 8.495
288 HG SER 41 HG SER 41 16.597 8.723 6.169
289 H GLY 42 H GLY 42 19.852 6.730 7.172
290 HA2 GLY 42 1HA GLY 42 20.229 6.314 4.276
291 HA3 GLY 42 2HA GLY 42 21.180 5.537 5.533
292 HA PRO 43 HA PRO 43 16.802 3.419 5.313
293 HB2 PRO 43 1HB PRO 43 15.556 3.692 2.917
294 HB3 PRO 43 2HB PRO 43 15.290 4.798 4.270
295 HG2 PRO 43 1HG PRO 43 17.049 5.129 1.870
296 HG3 PRO 43 2HG PRO 43 15.971 6.309 2.639
297 HD2 PRO 43 1HD PRO 43 18.647 6.295 3.051
298 HD3 PRO 43 2HD PRO 43 17.492 6.805 4.299
299 H SER 44 H SER 44 17.970 1.530 5.279
300 HA SER 44 HA SER 44 19.405 0.557 3.051
301 HB2 SER 44 1HB SER 44 18.454 -0.619 5.632
302 HB3 SER 44 2HB SER 44 19.057 -1.700 4.376
303 HG SER 44 HG SER 44 20.936 -1.190 5.169
304 H SER 45 H SER 45 18.909 -1.056 1.558
305 HA SER 45 HA SER 45 16.028 -1.580 1.219
306 HB2 SER 45 1HB SER 45 18.167 -1.259 -0.899
307 HB3 SER 45 2HB SER 45 16.496 -1.723 -1.221
308 HG SER 45 HG SER 45 16.044 0.317 -1.203
309 H GLY 46 H GLY 46 19.270 -2.897 0.570
310 HA2 GLY 46 1HA GLY 46 20.041 -5.058 0.527
311 HA3 GLY 46 2HA GLY 46 18.684 -5.454 1.570
Start of MODEL 11
1 H1 GLY 1 H GLY 1 1.976 -15.116 -7.702
2 HA2 GLY 1 1HA GLY 1 1.021 -17.759 -8.446
3 HA3 GLY 1 2HA GLY 1 2.728 -17.463 -8.742
4 H SER 2 H SER 2 4.138 -17.179 -6.986
5 HA SER 2 HA SER 2 3.015 -17.789 -4.338
6 HB2 SER 2 1HB SER 2 5.516 -19.060 -5.478
7 HB3 SER 2 2HB SER 2 4.811 -19.370 -3.892
8 HG SER 2 HG SER 2 3.435 -19.827 -6.327
9 H SER 3 H SER 3 6.029 -16.888 -6.017
10 HA SER 3 HA SER 3 7.373 -15.742 -3.897
11 HB2 SER 3 1HB SER 3 8.167 -16.135 -6.317
12 HB3 SER 3 2HB SER 3 7.475 -14.550 -6.663
13 HG SER 3 HG SER 3 8.901 -13.626 -5.242
14 H GLY 4 H GLY 4 7.445 -13.739 -2.944
15 HA2 GLY 4 1HA GLY 4 6.606 -11.314 -3.569
16 HA3 GLY 4 2HA GLY 4 5.054 -12.100 -3.319
17 H SER 5 H SER 5 5.943 -9.895 -1.825
18 HA SER 5 HA SER 5 6.411 -11.116 0.817
19 HB2 SER 5 1HB SER 5 7.284 -8.474 -0.330
20 HB3 SER 5 2HB SER 5 7.183 -8.718 1.414
21 HG SER 5 HG SER 5 9.192 -9.356 1.002
22 H SER 6 H SER 6 4.371 -11.399 1.565
23 HA SER 6 HA SER 6 2.877 -9.011 2.244
24 HB2 SER 6 1HB SER 6 2.098 -9.806 -0.066
25 HB3 SER 6 2HB SER 6 1.422 -11.204 0.769
26 HG SER 6 HG SER 6 -0.177 -9.678 0.662
27 H GLY 7 H GLY 7 1.331 -9.346 3.903
28 HA2 GLY 7 1HA GLY 7 1.948 -11.674 5.546
29 HA3 GLY 7 2HA GLY 7 1.066 -10.242 6.057
30 H THR 8 H THR 8 -0.767 -11.102 6.863
31 HA THR 8 HA THR 8 -2.270 -12.983 5.174
32 HB THR 8 HB THR 8 -2.567 -12.392 8.125
33 HG1 THR 8 HG1 THR 8 -0.844 -13.703 7.975
34 HG21 THR 8 3HG2 THR 8 -4.152 -14.246 8.155
35 HG22 THR 8 1HG2 THR 8 -3.980 -14.440 6.411
36 HG23 THR 8 2HG2 THR 8 -4.709 -12.974 7.068
37 H GLY 9 H GLY 9 -3.431 -11.700 3.810
38 HA2 GLY 9 1HA GLY 9 -5.853 -10.758 4.214
39 HA3 GLY 9 2HA GLY 9 -4.927 -9.442 4.920
40 H GLU 10 H GLU 10 -6.670 -9.913 2.391
41 HA GLU 10 HA GLU 10 -4.751 -8.942 0.394
42 HB2 GLU 10 1HB GLU 10 -7.596 -9.877 -0.015
43 HB3 GLU 10 2HB GLU 10 -6.430 -9.495 -1.274
44 HG2 GLU 10 1HG GLU 10 -5.191 -11.410 -0.893
45 HG3 GLU 10 2HG GLU 10 -5.830 -11.620 0.736
46 H LYS 11 H LYS 11 -4.970 -6.981 -0.596
47 HA LYS 11 HA LYS 11 -7.113 -5.226 0.412
48 HB2 LYS 11 1HB LYS 11 -4.264 -4.460 -0.255
49 HB3 LYS 11 2HB LYS 11 -5.525 -3.351 0.268
50 HG2 LYS 11 1HG LYS 11 -4.580 -5.672 1.928
51 HG3 LYS 11 2HG LYS 11 -3.891 -4.051 2.036
52 HD2 LYS 11 1HD LYS 11 -6.132 -3.168 2.579
53 HD3 LYS 11 2HD LYS 11 -6.768 -4.815 2.541
54 HE2 LYS 11 1HE LYS 11 -4.428 -4.225 4.287
55 HE3 LYS 11 2HE LYS 11 -6.023 -3.676 4.802
56 HZ1 LYS 11 3HZ LYS 11 -4.955 -6.365 4.645
57 HZ2 LYS 11 1HZ LYS 11 -6.548 -6.194 4.102
58 HZ3 LYS 11 2HZ LYS 11 -6.136 -5.726 5.674
59 HA PRO 12 HA PRO 12 -8.226 -4.560 -3.794
60 HB2 PRO 12 1HB PRO 12 -9.494 -2.174 -3.534
61 HB3 PRO 12 2HB PRO 12 -10.195 -3.699 -2.981
62 HG2 PRO 12 1HG PRO 12 -8.773 -1.587 -1.406
63 HG3 PRO 12 2HG PRO 12 -10.245 -2.487 -0.997
64 HD2 PRO 12 1HD PRO 12 -7.818 -3.122 0.022
65 HD3 PRO 12 2HD PRO 12 -9.068 -4.342 -0.299
66 H TYR 13 H TYR 13 -6.715 -1.864 -2.049
67 HA TYR 13 HA TYR 13 -5.593 -0.898 -4.588
68 HB2 TYR 13 1HB TYR 13 -5.650 0.551 -1.937
69 HB3 TYR 13 2HB TYR 13 -5.257 1.228 -3.514
70 HD1 TYR 13 HD2 TYR 13 -7.200 0.927 -5.319
71 HD2 TYR 13 HD1 TYR 13 -7.765 0.932 -1.102
72 HE1 TYR 13 HE2 TYR 13 -9.557 1.552 -5.641
73 HE2 TYR 13 HE1 TYR 13 -10.123 1.556 -1.412
74 HH TYR 13 HH TYR 13 -11.860 1.180 -3.544
75 H LYS 14 H LYS 14 -3.388 -0.501 -4.802
76 HA LYS 14 HA LYS 14 -1.629 -1.370 -2.631
77 HB2 LYS 14 1HB LYS 14 -1.948 -3.359 -4.004
78 HB3 LYS 14 2HB LYS 14 -1.521 -2.455 -5.451
79 HG2 LYS 14 1HG LYS 14 0.730 -2.294 -4.822
80 HG3 LYS 14 2HG LYS 14 0.384 -2.757 -3.154
81 HD2 LYS 14 1HD LYS 14 1.332 -4.673 -4.120
82 HD3 LYS 14 2HD LYS 14 -0.405 -4.987 -4.122
83 HE2 LYS 14 1HE LYS 14 -0.586 -4.579 -6.426
84 HE3 LYS 14 2HE LYS 14 0.984 -3.780 -6.494
85 HZ1 LYS 14 3HZ LYS 14 1.095 -5.991 -7.441
86 HZ2 LYS 14 1HZ LYS 14 0.529 -6.673 -6.000
87 HZ3 LYS 14 2HZ LYS 14 2.039 -5.912 -6.039
88 H CYS 15 H CYS 15 0.398 -0.423 -2.632
89 HA CYS 15 HA CYS 15 0.605 2.038 -4.111
90 HB2 CYS 15 1HB CYS 15 1.319 2.049 -1.812
91 HB3 CYS 15 2HB CYS 15 2.430 0.714 -2.099
92 H GLU 16 H GLU 16 2.413 2.642 -5.430
93 HA GLU 16 HA GLU 16 3.382 0.398 -7.037
94 HB2 GLU 16 1HB GLU 16 2.226 2.408 -8.069
95 HB3 GLU 16 2HB GLU 16 3.658 3.339 -7.652
96 HG2 GLU 16 1HG GLU 16 3.536 2.474 -10.012
97 HG3 GLU 16 2HG GLU 16 5.016 2.114 -9.126
98 H GLU 17 H GLU 17 4.530 3.080 -5.078
99 HA GLU 17 HA GLU 17 7.261 2.912 -5.726
100 HB2 GLU 17 1HB GLU 17 5.855 3.885 -3.238
101 HB3 GLU 17 2HB GLU 17 7.590 4.029 -3.482
102 HG2 GLU 17 1HG GLU 17 5.378 5.364 -5.000
103 HG3 GLU 17 2HG GLU 17 6.690 6.105 -4.086
104 H CYS 18 H CYS 18 5.511 1.586 -2.915
105 HA CYS 18 HA CYS 18 7.647 -0.432 -2.667
106 HB2 CYS 18 1HB CYS 18 7.272 -0.456 -0.263
107 HB3 CYS 18 2HB CYS 18 7.642 1.182 -0.793
108 H GLY 19 H GLY 19 4.210 0.246 -2.570
109 HA2 GLY 19 1HA GLY 19 2.405 -1.142 -2.887
110 HA3 GLY 19 2HA GLY 19 3.539 -2.391 -3.381
111 H LYS 20 H LYS 20 2.065 -0.838 -0.570
112 HA LYS 20 HA LYS 20 2.759 -3.174 1.063
113 HB2 LYS 20 1HB LYS 20 3.185 -0.732 1.800
114 HB3 LYS 20 2HB LYS 20 1.451 -0.667 2.088
115 HG2 LYS 20 1HG LYS 20 1.620 -2.488 3.679
116 HG3 LYS 20 2HG LYS 20 3.349 -2.634 3.355
117 HD2 LYS 20 1HD LYS 20 3.075 -1.392 5.384
118 HD3 LYS 20 2HD LYS 20 3.617 -0.275 4.129
119 HE2 LYS 20 1HE LYS 20 1.454 0.647 3.884
120 HE3 LYS 20 2HE LYS 20 0.714 -0.654 4.816
121 HZ1 LYS 20 3HZ LYS 20 0.799 1.003 6.365
122 HZ2 LYS 20 1HZ LYS 20 2.228 1.675 5.756
123 HZ3 LYS 20 2HZ LYS 20 2.285 0.253 6.670
124 H GLY 21 H GLY 21 -0.026 -1.145 0.182
125 HA2 GLY 21 1HA GLY 21 -2.069 -2.334 -0.489
126 HA3 GLY 21 2HA GLY 21 -1.758 -3.448 0.834
127 H PHE 22 H PHE 22 -3.850 -1.227 -0.021
128 HA PHE 22 HA PHE 22 -4.380 -0.438 2.741
129 HB2 PHE 22 1HB PHE 22 -4.443 1.562 0.475
130 HB3 PHE 22 2HB PHE 22 -4.751 1.882 2.178
131 HD1 PHE 22 HD1 PHE 22 -2.141 0.929 -0.254
132 HD2 PHE 22 HD2 PHE 22 -2.991 2.335 3.672
133 HE1 PHE 22 HE1 PHE 22 0.243 1.443 0.074
134 HE2 PHE 22 HE2 PHE 22 -0.609 2.852 4.006
135 HZ PHE 22 HZ PHE 22 1.011 2.407 2.206
136 H ILE 23 H ILE 23 -6.563 0.008 3.185
137 HA ILE 23 HA ILE 23 -8.407 -1.096 1.191
138 HB ILE 23 HB ILE 23 -10.011 -1.275 3.077
139 HG12 ILE 23 1HG1 ILE 23 -7.670 -0.562 4.846
140 HG13 ILE 23 2HG1 ILE 23 -8.921 0.593 4.400
141 HG21 ILE 23 1HG2 ILE 23 -7.497 -2.634 3.941
142 HG22 ILE 23 2HG2 ILE 23 -9.141 -3.265 3.852
143 HG23 ILE 23 3HG2 ILE 23 -8.210 -3.021 2.375
144 HD11 ILE 23 3HD1 ILE 23 -9.047 -1.734 6.230
145 HD12 ILE 23 1HD1 ILE 23 -9.729 -0.117 6.400
146 HD13 ILE 23 2HD1 ILE 23 -10.503 -1.293 5.338
147 H CYS 24 H CYS 24 -7.390 1.621 0.995
148 HA CYS 24 HA CYS 24 -9.939 2.972 0.758
149 HB2 CYS 24 1HB CYS 24 -7.798 3.851 2.668
150 HB3 CYS 24 2HB CYS 24 -8.839 5.044 1.901
151 HG CYS 24 HG CYS 24 -11.204 3.697 2.878
152 H ARG 25 H ARG 25 -9.973 3.955 -1.146
153 HA ARG 25 HA ARG 25 -7.810 4.054 -2.896
154 HB2 ARG 25 1HB ARG 25 -10.337 4.266 -3.375
155 HB3 ARG 25 2HB ARG 25 -10.112 5.982 -3.063
156 HG2 ARG 25 1HG ARG 25 -8.854 6.302 -4.956
157 HG3 ARG 25 2HG ARG 25 -8.331 4.618 -5.023
158 HD2 ARG 25 1HD ARG 25 -10.453 3.906 -5.825
159 HD3 ARG 25 2HD ARG 25 -11.175 5.480 -5.494
160 HE ARG 25 HE ARG 25 -9.212 6.051 -7.270
161 HH11 ARG 25 1HH1 ARG 25 -11.848 3.777 -7.249
162 HH12 ARG 25 2HH1 ARG 25 -12.048 3.794 -8.970
163 HH21 ARG 25 1HH2 ARG 25 -9.465 6.081 -9.537
164 HH22 ARG 25 2HH2 ARG 25 -10.691 5.104 -10.270
165 H ARG 26 H ARG 26 -9.285 6.733 -1.063
166 HA ARG 26 HA ARG 26 -7.516 8.733 -1.850
167 HB2 ARG 26 1HB ARG 26 -9.012 8.405 0.756
168 HB3 ARG 26 2HB ARG 26 -8.191 9.881 0.264
169 HG2 ARG 26 1HG ARG 26 -9.725 10.336 -1.405
170 HG3 ARG 26 2HG ARG 26 -10.268 8.660 -1.501
171 HD2 ARG 26 1HD ARG 26 -12.029 9.644 -0.394
172 HD3 ARG 26 2HD ARG 26 -11.048 9.071 0.954
173 HE ARG 26 HE ARG 26 -10.699 11.243 1.567
174 HH11 ARG 26 1HH1 ARG 26 -11.826 11.168 -1.726
175 HH12 ARG 26 2HH1 ARG 26 -11.987 12.889 -1.848
176 HH21 ARG 26 1HH2 ARG 26 -10.907 13.510 1.420
177 HH22 ARG 26 2HH2 ARG 26 -11.463 14.220 -0.058
178 H ASP 27 H ASP 27 -7.410 6.754 1.115
179 HA ASP 27 HA ASP 27 -5.168 7.667 2.325
180 HB2 ASP 27 1HB ASP 27 -6.716 5.576 2.812
181 HB3 ASP 27 2HB ASP 27 -5.396 4.702 2.040
182 H LEU 28 H LEU 28 -5.147 5.133 -0.186
183 HA LEU 28 HA LEU 28 -2.535 4.583 -0.475
184 HB2 LEU 28 1HB LEU 28 -4.105 3.561 -1.927
185 HB3 LEU 28 2HB LEU 28 -4.569 5.111 -2.626
186 HG LEU 28 HG LEU 28 -2.355 5.266 -3.696
187 HD11 LEU 28 1HD1 LEU 28 -0.889 3.317 -3.733
188 HD12 LEU 28 2HD1 LEU 28 -1.954 2.485 -2.600
189 HD13 LEU 28 3HD1 LEU 28 -1.086 3.934 -2.092
190 HD21 LEU 28 3HD2 LEU 28 -2.713 3.162 -5.188
191 HD22 LEU 28 1HD2 LEU 28 -3.930 4.438 -5.163
192 HD23 LEU 28 2HD2 LEU 28 -4.182 2.963 -4.230
193 H TYR 29 H TYR 29 -4.004 7.182 -2.430
194 HA TYR 29 HA TYR 29 -1.720 8.322 -3.413
195 HB2 TYR 29 1HB TYR 29 -4.388 9.480 -2.682
196 HB3 TYR 29 2HB TYR 29 -3.103 10.535 -3.260
197 HD1 TYR 29 HD1 TYR 29 -5.425 7.847 -4.159
198 HD2 TYR 29 HD2 TYR 29 -2.341 10.422 -5.562
199 HE1 TYR 29 HE1 TYR 29 -6.011 7.276 -6.479
200 HE2 TYR 29 HE2 TYR 29 -2.920 9.859 -7.885
201 HH TYR 29 HH TYR 29 -5.549 7.584 -8.624
202 H THR 30 H THR 30 -3.322 9.122 -0.342
203 HA THR 30 HA THR 30 -1.644 11.154 0.511
204 HB THR 30 HB THR 30 -2.921 9.063 2.284
205 HG1 THR 30 HG1 THR 30 -3.971 11.564 1.402
206 HG21 THR 30 3HG2 THR 30 -1.905 11.855 2.794
207 HG22 THR 30 1HG2 THR 30 -1.386 10.356 3.564
208 HG23 THR 30 2HG2 THR 30 -2.991 11.008 3.895
209 H HIS 31 H HIS 31 -1.288 7.651 0.914
210 HA HIS 31 HA HIS 31 0.997 7.692 2.538
211 HB2 HIS 31 1HB HIS 31 -0.007 5.607 2.451
212 HB3 HIS 31 2HB HIS 31 -0.242 5.677 0.707
213 HD1 HIS 31 HD1 HIS 31 2.510 5.126 3.247
214 HD2 HIS 31 HD2 HIS 31 1.689 4.422 -0.764
215 HE1 HIS 31 HE1 HIS 31 4.398 3.687 2.417
216 H HIS 32 H HIS 32 0.673 7.525 -0.994
217 HA HIS 32 HA HIS 32 3.245 7.174 -1.798
218 HB2 HIS 32 1HB HIS 32 1.023 7.729 -3.130
219 HB3 HIS 32 2HB HIS 32 1.710 9.351 -3.148
220 HD1 HIS 32 HD1 HIS 32 4.059 9.604 -4.361
221 HD2 HIS 32 HD2 HIS 32 2.131 5.966 -4.922
222 HE1 HIS 32 HE1 HIS 32 5.206 8.531 -6.325
223 H MET 33 H MET 33 1.893 9.998 -0.275
224 HA MET 33 HA MET 33 3.698 11.970 -0.924
225 HB2 MET 33 1HB MET 33 2.416 11.439 1.761
226 HB3 MET 33 2HB MET 33 3.206 12.943 1.310
227 HG2 MET 33 1HG MET 33 0.964 11.869 -0.343
228 HG3 MET 33 2HG MET 33 0.634 12.744 1.151
229 HE1 MET 33 3HE MET 33 0.331 15.879 0.606
230 HE2 MET 33 1HE MET 33 -0.476 15.383 -0.882
231 HE3 MET 33 2HE MET 33 -0.571 14.363 0.554
232 H VAL 34 H VAL 34 4.014 9.469 1.570
233 HA VAL 34 HA VAL 34 6.395 10.294 2.734
234 HB VAL 34 HB VAL 34 6.682 8.063 3.540
235 HG11 VAL 34 1HG1 VAL 34 3.707 8.423 3.268
236 HG12 VAL 34 2HG1 VAL 34 4.598 7.678 4.597
237 HG13 VAL 34 3HG1 VAL 34 4.703 9.419 4.329
238 HG21 VAL 34 3HG2 VAL 34 5.255 7.355 1.063
239 HG22 VAL 34 1HG2 VAL 34 6.527 6.494 1.929
240 HG23 VAL 34 2HG2 VAL 34 4.855 6.382 2.478
241 H HIS 35 H HIS 35 5.824 8.720 -0.319
242 HA HIS 35 HA HIS 35 8.587 7.996 -0.727
243 HB2 HIS 35 1HB HIS 35 6.160 7.947 -2.521
244 HB3 HIS 35 2HB HIS 35 7.765 7.475 -3.072
245 HD1 HIS 35 HD1 HIS 35 8.843 5.387 -1.741
246 HD2 HIS 35 HD2 HIS 35 4.755 5.970 -1.278
247 HE1 HIS 35 HE1 HIS 35 7.952 3.215 -0.838
248 H THR 36 H THR 36 6.468 10.646 -1.551
249 HA THR 36 HA THR 36 8.412 11.828 -3.361
250 HB THR 36 HB THR 36 6.789 13.374 -3.974
251 HG1 THR 36 HG1 THR 36 5.888 13.033 -1.343
252 HG21 THR 36 3HG2 THR 36 5.102 11.053 -3.041
253 HG22 THR 36 1HG2 THR 36 6.115 11.021 -4.484
254 HG23 THR 36 2HG2 THR 36 4.764 12.150 -4.380
255 H GLY 37 H GLY 37 8.900 11.467 -0.409
256 HA2 GLY 37 1HA GLY 37 8.767 13.795 1.053
257 HA3 GLY 37 2HA GLY 37 10.075 12.629 1.189
258 H GLU 38 H GLU 38 10.978 13.013 -1.558
259 HA GLU 38 HA GLU 38 11.951 15.782 -1.463
260 HB2 GLU 38 1HB GLU 38 14.219 15.035 -2.003
261 HB3 GLU 38 2HB GLU 38 13.682 14.371 -0.466
262 HG2 GLU 38 1HG GLU 38 12.979 12.326 -1.924
263 HG3 GLU 38 2HG GLU 38 14.141 12.996 -3.067
264 H LYS 39 H LYS 39 13.386 16.084 -3.597
265 HA LYS 39 HA LYS 39 11.679 15.167 -5.814
266 HB2 LYS 39 1HB LYS 39 12.649 17.200 -7.006
267 HB3 LYS 39 2HB LYS 39 11.523 17.518 -5.692
268 HG2 LYS 39 1HG LYS 39 13.447 17.921 -4.193
269 HG3 LYS 39 2HG LYS 39 14.526 17.708 -5.574
270 HD2 LYS 39 1HD LYS 39 12.297 19.723 -5.600
271 HD3 LYS 39 2HD LYS 39 13.884 20.100 -4.926
272 HE2 LYS 39 1HE LYS 39 14.909 19.486 -7.086
273 HE3 LYS 39 2HE LYS 39 13.299 19.198 -7.745
274 HZ1 LYS 39 3HZ LYS 39 12.753 21.496 -7.431
275 HZ2 LYS 39 1HZ LYS 39 14.200 21.404 -8.302
276 HZ3 LYS 39 2HZ LYS 39 14.226 21.800 -6.658
277 HA PRO 40 HA PRO 40 15.730 13.075 -6.508
278 HB2 PRO 40 1HB PRO 40 14.628 10.797 -7.490
279 HB3 PRO 40 2HB PRO 40 14.856 11.086 -5.761
280 HG2 PRO 40 1HG PRO 40 12.386 11.397 -7.423
281 HG3 PRO 40 2HG PRO 40 12.565 10.690 -5.807
282 HD2 PRO 40 1HD PRO 40 11.645 13.205 -6.203
283 HD3 PRO 40 2HD PRO 40 12.592 12.749 -4.772
284 H SER 41 H SER 41 16.277 14.477 -8.202
285 HA SER 41 HA SER 41 15.536 13.490 -10.854
286 HB2 SER 41 1HB SER 41 15.337 15.888 -11.643
287 HB3 SER 41 2HB SER 41 14.025 15.328 -10.607
288 HG SER 41 HG SER 41 14.928 16.441 -8.897
289 H GLY 42 H GLY 42 16.936 14.691 -12.563
290 HA2 GLY 42 1HA GLY 42 19.607 15.279 -11.481
291 HA3 GLY 42 2HA GLY 42 19.434 14.020 -12.694
292 HA PRO 43 HA PRO 43 20.187 18.191 -14.713
293 HB2 PRO 43 1HB PRO 43 22.469 17.482 -16.002
294 HB3 PRO 43 2HB PRO 43 22.458 18.150 -14.365
295 HG2 PRO 43 1HG PRO 43 22.674 15.297 -15.245
296 HG3 PRO 43 2HG PRO 43 23.577 16.148 -13.979
297 HD2 PRO 43 1HD PRO 43 21.484 14.520 -13.432
298 HD3 PRO 43 2HD PRO 43 21.865 15.948 -12.448
299 H SER 44 H SER 44 19.562 14.996 -15.542
300 HA SER 44 HA SER 44 18.553 15.781 -18.136
301 HB2 SER 44 1HB SER 44 20.740 15.220 -18.874
302 HB3 SER 44 2HB SER 44 20.808 13.797 -17.834
303 HG SER 44 HG SER 44 19.018 14.126 -20.014
304 H SER 45 H SER 45 16.936 14.436 -18.896
305 HA SER 45 HA SER 45 16.044 12.381 -16.989
306 HB2 SER 45 1HB SER 45 14.612 14.343 -18.711
307 HB3 SER 45 2HB SER 45 13.839 12.780 -18.450
308 HG SER 45 HG SER 45 13.159 13.840 -16.726
309 H GLY 46 H GLY 46 16.001 10.314 -17.595
310 HA2 GLY 46 1HA GLY 46 15.616 9.579 -20.374
311 HA3 GLY 46 2HA GLY 46 17.202 9.198 -19.722
Start of MODEL 12
1 H1 GLY 1 H GLY 1 12.523 -17.651 5.064
2 HA2 GLY 1 1HA GLY 1 10.663 -16.539 4.236
3 HA3 GLY 1 2HA GLY 1 9.910 -17.325 5.615
4 H SER 2 H SER 2 8.727 -15.097 4.842
5 HA SER 2 HA SER 2 9.781 -12.914 6.497
6 HB2 SER 2 1HB SER 2 8.258 -11.456 5.267
7 HB3 SER 2 2HB SER 2 9.237 -12.391 4.136
8 HG SER 2 HG SER 2 6.591 -12.274 4.312
9 H SER 3 H SER 3 8.713 -15.055 7.888
10 HA SER 3 HA SER 3 7.239 -15.572 9.542
11 HB2 SER 3 1HB SER 3 6.686 -12.602 9.363
12 HB3 SER 3 2HB SER 3 6.071 -13.649 10.642
13 HG SER 3 HG SER 3 8.525 -14.197 10.721
14 H GLY 4 H GLY 4 6.367 -16.151 6.986
15 HA2 GLY 4 1HA GLY 4 4.388 -16.999 6.115
16 HA3 GLY 4 2HA GLY 4 3.511 -16.204 7.414
17 H SER 5 H SER 5 2.383 -16.155 4.984
18 HA SER 5 HA SER 5 3.001 -14.257 3.128
19 HB2 SER 5 1HB SER 5 0.606 -14.086 2.641
20 HB3 SER 5 2HB SER 5 1.050 -15.762 2.967
21 HG SER 5 HG SER 5 0.235 -15.486 5.083
22 H SER 6 H SER 6 1.923 -12.104 2.765
23 HA SER 6 HA SER 6 2.062 -10.531 5.250
24 HB2 SER 6 1HB SER 6 2.840 -8.676 3.960
25 HB3 SER 6 2HB SER 6 3.767 -10.078 3.427
26 HG SER 6 HG SER 6 1.822 -10.151 1.827
27 H GLY 7 H GLY 7 -0.326 -11.764 4.784
28 HA2 GLY 7 1HA GLY 7 -2.398 -10.434 5.262
29 HA3 GLY 7 2HA GLY 7 -2.037 -9.577 3.771
30 H THR 8 H THR 8 -3.800 -12.054 5.128
31 HA THR 8 HA THR 8 -3.852 -13.980 3.077
32 HB THR 8 HB THR 8 -6.056 -13.261 5.020
33 HG1 THR 8 HG1 THR 8 -4.671 -14.086 6.392
34 HG21 THR 8 3HG2 THR 8 -5.734 -16.004 3.949
35 HG22 THR 8 1HG2 THR 8 -6.385 -14.792 2.846
36 HG23 THR 8 2HG2 THR 8 -7.198 -15.118 4.376
37 H GLY 9 H GLY 9 -6.137 -11.323 3.768
38 HA2 GLY 9 1HA GLY 9 -7.560 -11.725 1.308
39 HA3 GLY 9 2HA GLY 9 -7.783 -10.398 2.438
40 H GLU 10 H GLU 10 -7.614 -10.422 -0.516
41 HA GLU 10 HA GLU 10 -5.125 -9.008 -1.048
42 HB2 GLU 10 1HB GLU 10 -6.269 -10.727 -2.612
43 HB3 GLU 10 2HB GLU 10 -7.346 -9.402 -3.032
44 HG2 GLU 10 1HG GLU 10 -5.685 -8.199 -4.075
45 HG3 GLU 10 2HG GLU 10 -4.396 -9.003 -3.181
46 H LYS 11 H LYS 11 -5.048 -6.934 -0.496
47 HA LYS 11 HA LYS 11 -7.243 -5.277 -0.004
48 HB2 LYS 11 1HB LYS 11 -4.477 -4.382 -0.829
49 HB3 LYS 11 2HB LYS 11 -5.661 -3.449 0.077
50 HG2 LYS 11 1HG LYS 11 -4.671 -6.049 1.159
51 HG3 LYS 11 2HG LYS 11 -3.692 -4.589 1.316
52 HD2 LYS 11 1HD LYS 11 -6.560 -4.439 2.086
53 HD3 LYS 11 2HD LYS 11 -5.456 -5.297 3.163
54 HE2 LYS 11 1HE LYS 11 -3.989 -3.127 2.795
55 HE3 LYS 11 2HE LYS 11 -5.561 -2.413 2.440
56 HZ1 LYS 11 3HZ LYS 11 -5.880 -3.918 4.742
57 HZ2 LYS 11 1HZ LYS 11 -5.871 -2.231 4.611
58 HZ3 LYS 11 2HZ LYS 11 -4.436 -3.060 4.948
59 HA PRO 12 HA PRO 12 -8.631 -4.004 -3.977
60 HB2 PRO 12 1HB PRO 12 -9.643 -1.561 -3.361
61 HB3 PRO 12 2HB PRO 12 -10.432 -3.073 -2.896
62 HG2 PRO 12 1HG PRO 12 -8.688 -1.268 -1.265
63 HG3 PRO 12 2HG PRO 12 -10.196 -2.080 -0.806
64 HD2 PRO 12 1HD PRO 12 -7.758 -3.021 -0.095
65 HD3 PRO 12 2HD PRO 12 -9.139 -4.091 -0.412
66 H TYR 13 H TYR 13 -6.307 -2.148 -2.198
67 HA TYR 13 HA TYR 13 -5.243 -1.100 -4.710
68 HB2 TYR 13 1HB TYR 13 -5.618 0.663 -2.284
69 HB3 TYR 13 2HB TYR 13 -4.999 1.143 -3.860
70 HD1 TYR 13 HD2 TYR 13 -6.594 0.974 -5.858
71 HD2 TYR 13 HD1 TYR 13 -7.905 0.805 -1.814
72 HE1 TYR 13 HE2 TYR 13 -8.871 1.562 -6.578
73 HE2 TYR 13 HE1 TYR 13 -10.186 1.391 -2.522
74 HH TYR 13 HH TYR 13 -10.920 2.167 -5.895
75 H LYS 14 H LYS 14 -3.057 -1.057 -4.794
76 HA LYS 14 HA LYS 14 -1.544 -1.427 -2.310
77 HB2 LYS 14 1HB LYS 14 -1.981 -3.648 -3.428
78 HB3 LYS 14 2HB LYS 14 -1.029 -3.072 -4.790
79 HG2 LYS 14 1HG LYS 14 0.841 -2.685 -3.103
80 HG3 LYS 14 2HG LYS 14 -0.123 -3.661 -1.993
81 HD2 LYS 14 1HD LYS 14 1.301 -5.219 -2.972
82 HD3 LYS 14 2HD LYS 14 -0.182 -5.383 -3.915
83 HE2 LYS 14 1HE LYS 14 1.890 -3.453 -4.835
84 HE3 LYS 14 2HE LYS 14 2.178 -5.176 -5.078
85 HZ1 LYS 14 3HZ LYS 14 0.885 -5.070 -6.854
86 HZ2 LYS 14 1HZ LYS 14 0.523 -3.444 -6.558
87 HZ3 LYS 14 2HZ LYS 14 -0.433 -4.660 -5.876
88 H CYS 15 H CYS 15 0.380 -0.380 -2.249
89 HA CYS 15 HA CYS 15 0.894 1.689 -4.073
90 HB2 CYS 15 1HB CYS 15 1.653 1.638 -1.695
91 HB3 CYS 15 2HB CYS 15 2.856 0.433 -2.144
92 H GLU 16 H GLU 16 1.833 1.692 -6.001
93 HA GLU 16 HA GLU 16 3.135 -0.731 -6.953
94 HB2 GLU 16 1HB GLU 16 1.946 1.684 -8.219
95 HB3 GLU 16 2HB GLU 16 3.230 0.862 -9.094
96 HG2 GLU 16 1HG GLU 16 1.072 0.060 -9.815
97 HG3 GLU 16 2HG GLU 16 1.958 -1.225 -8.995
98 H GLU 17 H GLU 17 4.212 1.645 -5.149
99 HA GLU 17 HA GLU 17 6.690 2.120 -6.652
100 HB2 GLU 17 1HB GLU 17 6.071 4.209 -5.961
101 HB3 GLU 17 2HB GLU 17 5.221 3.606 -4.544
102 HG2 GLU 17 1HG GLU 17 7.103 4.868 -3.812
103 HG3 GLU 17 2HG GLU 17 7.418 3.165 -3.480
104 H CYS 18 H CYS 18 5.525 1.112 -3.453
105 HA CYS 18 HA CYS 18 8.079 -0.304 -3.070
106 HB2 CYS 18 1HB CYS 18 8.117 0.262 -0.760
107 HB3 CYS 18 2HB CYS 18 7.808 1.762 -1.629
108 H GLY 19 H GLY 19 4.616 -0.277 -2.744
109 HA2 GLY 19 1HA GLY 19 3.222 -2.151 -2.754
110 HA3 GLY 19 2HA GLY 19 4.625 -3.167 -2.462
111 H LYS 20 H LYS 20 1.967 -1.528 -1.068
112 HA LYS 20 HA LYS 20 2.762 -2.532 1.581
113 HB2 LYS 20 1HB LYS 20 1.841 0.189 0.801
114 HB3 LYS 20 2HB LYS 20 1.261 -0.456 2.331
115 HG2 LYS 20 1HG LYS 20 3.455 -0.643 3.191
116 HG3 LYS 20 2HG LYS 20 4.175 -0.360 1.605
117 HD2 LYS 20 1HD LYS 20 4.420 1.715 2.555
118 HD3 LYS 20 2HD LYS 20 2.853 1.907 1.766
119 HE2 LYS 20 1HE LYS 20 1.703 1.884 3.742
120 HE3 LYS 20 2HE LYS 20 2.898 0.871 4.552
121 HZ1 LYS 20 3HZ LYS 20 4.400 2.832 4.533
122 HZ2 LYS 20 1HZ LYS 20 3.014 3.041 5.480
123 HZ3 LYS 20 2HZ LYS 20 3.115 3.770 3.957
124 H GLY 21 H GLY 21 -0.140 -0.881 0.350
125 HA2 GLY 21 1HA GLY 21 -2.051 -2.371 -0.300
126 HA3 GLY 21 2HA GLY 21 -1.694 -3.255 1.177
127 H PHE 22 H PHE 22 -3.919 -1.346 -0.031
128 HA PHE 22 HA PHE 22 -4.591 -0.219 2.577
129 HB2 PHE 22 1HB PHE 22 -4.715 1.440 0.053
130 HB3 PHE 22 2HB PHE 22 -5.101 1.969 1.688
131 HD1 PHE 22 HD2 PHE 22 -3.172 1.818 3.418
132 HD2 PHE 22 HD1 PHE 22 -2.606 1.812 -0.800
133 HE1 PHE 22 HE2 PHE 22 -0.843 2.546 3.733
134 HE2 PHE 22 HE1 PHE 22 -0.275 2.538 -0.492
135 HZ PHE 22 HZ PHE 22 0.609 2.907 1.777
136 H ILE 23 H ILE 23 -6.880 0.688 2.534
137 HA ILE 23 HA ILE 23 -8.558 -1.163 0.987
138 HB ILE 23 HB ILE 23 -9.299 0.406 3.459
139 HG12 ILE 23 1HG1 ILE 23 -8.773 -2.559 3.287
140 HG13 ILE 23 2HG1 ILE 23 -7.514 -1.406 3.715
141 HG21 ILE 23 1HG2 ILE 23 -11.001 -1.736 3.248
142 HG22 ILE 23 2HG2 ILE 23 -11.371 -0.078 2.779
143 HG23 ILE 23 3HG2 ILE 23 -10.800 -1.229 1.571
144 HD11 ILE 23 3HD1 ILE 23 -9.440 -0.676 5.445
145 HD12 ILE 23 1HD1 ILE 23 -9.789 -2.397 5.284
146 HD13 ILE 23 2HD1 ILE 23 -8.189 -1.866 5.802
147 H CYS 24 H CYS 24 -8.609 2.190 2.203
148 HA CYS 24 HA CYS 24 -10.655 2.947 0.322
149 HB2 CYS 24 1HB CYS 24 -9.083 4.382 2.436
150 HB3 CYS 24 2HB CYS 24 -10.007 5.300 1.253
151 HG CYS 24 HG CYS 24 -12.108 3.125 2.252
152 H ARG 25 H ARG 25 -10.307 4.943 -1.052
153 HA ARG 25 HA ARG 25 -8.043 4.455 -2.771
154 HB2 ARG 25 1HB ARG 25 -10.477 6.196 -2.903
155 HB3 ARG 25 2HB ARG 25 -9.130 6.503 -3.992
156 HG2 ARG 25 1HG ARG 25 -9.366 3.922 -4.464
157 HG3 ARG 25 2HG ARG 25 -11.012 4.209 -3.896
158 HD2 ARG 25 1HD ARG 25 -9.661 5.785 -6.082
159 HD3 ARG 25 2HD ARG 25 -10.736 4.416 -6.362
160 HE ARG 25 HE ARG 25 -11.906 6.480 -4.743
161 HH11 ARG 25 1HH1 ARG 25 -11.294 5.403 -7.997
162 HH12 ARG 25 2HH1 ARG 25 -12.621 6.286 -8.677
163 HH21 ARG 25 1HH2 ARG 25 -13.655 7.647 -5.627
164 HH22 ARG 25 2HH2 ARG 25 -13.962 7.563 -7.328
165 H ARG 26 H ARG 26 -9.280 7.275 -0.975
166 HA ARG 26 HA ARG 26 -7.291 9.087 -1.510
167 HB2 ARG 26 1HB ARG 26 -9.400 9.428 -0.133
168 HB3 ARG 26 2HB ARG 26 -8.512 8.760 1.229
169 HG2 ARG 26 1HG ARG 26 -7.120 10.585 1.393
170 HG3 ARG 26 2HG ARG 26 -7.362 11.052 -0.292
171 HD2 ARG 26 1HD ARG 26 -8.517 12.646 1.031
172 HD3 ARG 26 2HD ARG 26 -9.740 11.599 0.313
173 HE ARG 26 HE ARG 26 -9.197 10.482 2.753
174 HH11 ARG 26 1HH1 ARG 26 -10.262 13.600 1.627
175 HH12 ARG 26 2HH1 ARG 26 -11.174 13.950 3.058
176 HH21 ARG 26 1HH2 ARG 26 -10.395 10.931 4.641
177 HH22 ARG 26 2HH2 ARG 26 -11.249 12.432 4.772
178 H ASP 27 H ASP 27 -7.329 6.696 1.125
179 HA ASP 27 HA ASP 27 -4.992 7.274 2.409
180 HB2 ASP 27 1HB ASP 27 -6.721 5.338 2.759
181 HB3 ASP 27 2HB ASP 27 -5.597 4.409 1.770
182 H LEU 28 H LEU 28 -5.286 5.099 -0.401
183 HA LEU 28 HA LEU 28 -2.682 4.391 -0.779
184 HB2 LEU 28 1HB LEU 28 -4.312 3.464 -2.202
185 HB3 LEU 28 2HB LEU 28 -4.828 5.050 -2.773
186 HG LEU 28 HG LEU 28 -2.722 5.285 -4.005
187 HD11 LEU 28 1HD1 LEU 28 -1.654 3.523 -2.301
188 HD12 LEU 28 2HD1 LEU 28 -0.989 3.838 -3.903
189 HD13 LEU 28 3HD1 LEU 28 -2.028 2.437 -3.640
190 HD21 LEU 28 3HD2 LEU 28 -4.261 4.480 -5.468
191 HD22 LEU 28 1HD2 LEU 28 -4.614 3.057 -4.488
192 HD23 LEU 28 2HD2 LEU 28 -3.152 3.108 -5.473
193 H TYR 29 H TYR 29 -4.197 7.214 -2.354
194 HA TYR 29 HA TYR 29 -1.866 8.286 -3.432
195 HB2 TYR 29 1HB TYR 29 -4.388 9.685 -2.525
196 HB3 TYR 29 2HB TYR 29 -3.128 10.444 -3.491
197 HD1 TYR 29 HD1 TYR 29 -5.858 8.000 -3.490
198 HD2 TYR 29 HD2 TYR 29 -2.836 9.869 -5.830
199 HE1 TYR 29 HE1 TYR 29 -6.933 7.161 -5.537
200 HE2 TYR 29 HE2 TYR 29 -3.902 9.036 -7.884
201 HH TYR 29 HH TYR 29 -6.120 6.621 -7.953
202 H THR 30 H THR 30 -3.449 9.010 -0.334
203 HA THR 30 HA THR 30 -1.817 11.018 0.598
204 HB THR 30 HB THR 30 -2.902 8.772 2.306
205 HG1 THR 30 HG1 THR 30 -4.131 10.939 1.027
206 HG21 THR 30 3HG2 THR 30 -2.922 11.483 3.371
207 HG22 THR 30 1HG2 THR 30 -1.296 10.905 3.007
208 HG23 THR 30 2HG2 THR 30 -2.335 9.988 4.099
209 H HIS 31 H HIS 31 -1.223 7.546 0.583
210 HA HIS 31 HA HIS 31 1.090 7.573 2.203
211 HB2 HIS 31 1HB HIS 31 0.078 5.469 1.909
212 HB3 HIS 31 2HB HIS 31 0.014 5.646 0.158
213 HD1 HIS 31 HD1 HIS 31 2.570 5.130 2.912
214 HD2 HIS 31 HD2 HIS 31 2.100 4.503 -1.168
215 HE1 HIS 31 HE1 HIS 31 4.593 3.819 2.196
216 H HIS 32 H HIS 32 0.548 8.237 -1.174
217 HA HIS 32 HA HIS 32 3.138 7.924 -2.169
218 HB2 HIS 32 1HB HIS 32 1.020 8.359 -3.493
219 HB3 HIS 32 2HB HIS 32 1.195 10.057 -3.060
220 HD1 HIS 32 HD1 HIS 32 1.622 10.854 -5.444
221 HD2 HIS 32 HD2 HIS 32 4.304 7.950 -4.168
222 HE1 HIS 32 HE1 HIS 32 3.444 10.814 -7.177
223 H MET 33 H MET 33 1.955 10.142 0.097
224 HA MET 33 HA MET 33 3.655 12.351 -0.472
225 HB2 MET 33 1HB MET 33 2.115 11.508 1.976
226 HB3 MET 33 2HB MET 33 3.123 12.949 1.959
227 HG2 MET 33 1HG MET 33 0.722 13.385 1.538
228 HG3 MET 33 2HG MET 33 1.793 13.953 0.259
229 HE1 MET 33 3HE MET 33 -0.908 13.051 -2.191
230 HE2 MET 33 1HE MET 33 -1.246 13.797 -0.629
231 HE3 MET 33 2HE MET 33 0.206 14.245 -1.525
232 H VAL 34 H VAL 34 3.904 9.546 1.668
233 HA VAL 34 HA VAL 34 6.305 10.310 2.944
234 HB VAL 34 HB VAL 34 6.515 7.950 3.595
235 HG11 VAL 34 1HG1 VAL 34 5.139 8.725 5.177
236 HG12 VAL 34 2HG1 VAL 34 4.139 9.589 4.009
237 HG13 VAL 34 3HG1 VAL 34 3.865 7.872 4.307
238 HG21 VAL 34 3HG2 VAL 34 5.576 6.260 2.478
239 HG22 VAL 34 1HG2 VAL 34 4.002 7.056 2.445
240 HG23 VAL 34 2HG2 VAL 34 5.209 7.434 1.215
241 H HIS 35 H HIS 35 5.721 9.421 -0.235
242 HA HIS 35 HA HIS 35 8.387 8.287 -0.642
243 HB2 HIS 35 1HB HIS 35 5.901 8.425 -2.318
244 HB3 HIS 35 2HB HIS 35 7.461 8.109 -3.071
245 HD1 HIS 35 HD1 HIS 35 8.781 6.087 -1.433
246 HD2 HIS 35 HD2 HIS 35 4.657 6.071 -1.933
247 HE1 HIS 35 HE1 HIS 35 8.052 3.733 -0.930
248 H THR 36 H THR 36 6.603 11.201 -1.045
249 HA THR 36 HA THR 36 8.610 12.323 -2.859
250 HB THR 36 HB THR 36 7.102 14.266 -3.036
251 HG1 THR 36 HG1 THR 36 6.177 13.736 -0.819
252 HG21 THR 36 3HG2 THR 36 6.815 12.451 -4.619
253 HG22 THR 36 1HG2 THR 36 5.240 13.121 -4.194
254 HG23 THR 36 2HG2 THR 36 5.769 11.594 -3.488
255 H GLY 37 H GLY 37 7.930 12.126 0.435
256 HA2 GLY 37 1HA GLY 37 9.329 14.653 1.011
257 HA3 GLY 37 2HA GLY 37 8.326 13.767 2.150
258 H GLU 38 H GLU 38 10.072 13.902 3.660
259 HA GLU 38 HA GLU 38 12.278 12.041 3.059
260 HB2 GLU 38 1HB GLU 38 12.968 14.408 3.422
261 HB3 GLU 38 2HB GLU 38 12.292 14.322 5.042
262 HG2 GLU 38 1HG GLU 38 13.877 12.573 5.628
263 HG3 GLU 38 2HG GLU 38 14.544 12.621 3.997
264 H LYS 39 H LYS 39 12.443 10.267 4.268
265 HA LYS 39 HA LYS 39 11.443 10.201 6.986
266 HB2 LYS 39 1HB LYS 39 10.033 8.194 6.565
267 HB3 LYS 39 2HB LYS 39 9.417 9.654 5.802
268 HG2 LYS 39 1HG LYS 39 9.161 8.172 4.094
269 HG3 LYS 39 2HG LYS 39 10.789 8.758 3.743
270 HD2 LYS 39 1HD LYS 39 10.916 6.412 3.568
271 HD3 LYS 39 2HD LYS 39 11.629 6.803 5.134
272 HE2 LYS 39 1HE LYS 39 10.201 4.935 5.468
273 HE3 LYS 39 2HE LYS 39 9.384 6.336 6.159
274 HZ1 LYS 39 3HZ LYS 39 8.314 4.586 4.372
275 HZ2 LYS 39 1HZ LYS 39 8.717 5.916 3.406
276 HZ3 LYS 39 2HZ LYS 39 7.701 6.118 4.742
277 HA PRO 40 HA PRO 40 14.814 7.433 7.504
278 HB2 PRO 40 1HB PRO 40 13.968 6.018 9.661
279 HB3 PRO 40 2HB PRO 40 14.513 7.696 9.766
280 HG2 PRO 40 1HG PRO 40 11.724 6.615 9.654
281 HG3 PRO 40 2HG PRO 40 12.384 7.904 10.677
282 HD2 PRO 40 1HD PRO 40 10.946 8.412 8.439
283 HD3 PRO 40 2HD PRO 40 12.252 9.477 8.997
284 H SER 41 H SER 41 15.483 5.346 7.053
285 HA SER 41 HA SER 41 13.421 3.599 5.908
286 HB2 SER 41 1HB SER 41 15.259 4.287 4.407
287 HB3 SER 41 2HB SER 41 16.423 3.551 5.507
288 HG SER 41 HG SER 41 14.316 1.965 4.601
289 H GLY 42 H GLY 42 12.876 1.765 6.889
290 HA2 GLY 42 1HA GLY 42 14.284 0.968 9.295
291 HA3 GLY 42 2HA GLY 42 12.784 0.284 8.686
292 HA PRO 43 HA PRO 43 16.738 -2.227 7.542
293 HB2 PRO 43 1HB PRO 43 17.023 -3.813 9.727
294 HB3 PRO 43 2HB PRO 43 17.859 -2.266 9.547
295 HG2 PRO 43 1HG PRO 43 15.367 -2.905 11.078
296 HG3 PRO 43 2HG PRO 43 16.742 -1.892 11.553
297 HD2 PRO 43 1HD PRO 43 14.419 -0.853 10.629
298 HD3 PRO 43 2HD PRO 43 15.992 -0.083 10.338
299 H SER 44 H SER 44 14.045 -3.326 9.602
300 HA SER 44 HA SER 44 13.443 -5.375 7.582
301 HB2 SER 44 1HB SER 44 13.888 -5.740 10.516
302 HB3 SER 44 2HB SER 44 12.683 -6.747 9.714
303 HG SER 44 HG SER 44 15.444 -6.532 9.115
304 H SER 45 H SER 45 11.803 -3.964 6.826
305 HA SER 45 HA SER 45 9.263 -4.401 7.968
306 HB2 SER 45 1HB SER 45 10.643 -1.855 8.666
307 HB3 SER 45 2HB SER 45 8.927 -1.770 8.269
308 HG SER 45 HG SER 45 10.171 -3.285 10.313
309 H GLY 46 H GLY 46 7.592 -2.820 6.885
310 HA2 GLY 46 1HA GLY 46 8.385 -2.638 4.051
311 HA3 GLY 46 2HA GLY 46 6.744 -2.901 4.623
Start of MODEL 13
1 H1 GLY 1 H GLY 1 7.017 -12.332 0.046
2 HA2 GLY 1 1HA GLY 1 7.919 -12.351 -2.485
3 HA3 GLY 1 2HA GLY 1 7.900 -14.067 -2.104
4 H SER 2 H SER 2 5.715 -14.689 -0.932
5 HA SER 2 HA SER 2 3.686 -14.389 -2.867
6 HB2 SER 2 1HB SER 2 3.524 -15.402 -0.018
7 HB3 SER 2 2HB SER 2 2.245 -15.573 -1.220
8 HG SER 2 HG SER 2 3.816 -17.382 -0.921
9 H SER 3 H SER 3 1.813 -13.195 -2.897
10 HA SER 3 HA SER 3 1.855 -10.770 -1.301
11 HB2 SER 3 1HB SER 3 1.405 -10.838 -3.813
12 HB3 SER 3 2HB SER 3 -0.178 -11.503 -3.410
13 HG SER 3 HG SER 3 -0.812 -9.586 -2.831
14 H GLY 4 H GLY 4 1.303 -11.625 0.751
15 HA2 GLY 4 1HA GLY 4 -0.294 -11.801 2.423
16 HA3 GLY 4 2HA GLY 4 -1.544 -11.754 1.189
17 H SER 5 H SER 5 0.567 -13.778 3.068
18 HA SER 5 HA SER 5 0.259 -16.245 1.889
19 HB2 SER 5 1HB SER 5 0.740 -17.218 4.038
20 HB3 SER 5 2HB SER 5 1.659 -15.718 3.911
21 HG SER 5 HG SER 5 -0.764 -16.139 5.324
22 H SER 6 H SER 6 -1.946 -14.613 4.132
23 HA SER 6 HA SER 6 -3.874 -16.779 3.926
24 HB2 SER 6 1HB SER 6 -3.299 -15.267 6.022
25 HB3 SER 6 2HB SER 6 -4.503 -14.199 5.301
26 HG SER 6 HG SER 6 -5.681 -16.436 5.194
27 H GLY 7 H GLY 7 -5.193 -16.866 2.237
28 HA2 GLY 7 1HA GLY 7 -5.593 -15.140 0.216
29 HA3 GLY 7 2HA GLY 7 -6.886 -16.171 0.811
30 H THR 8 H THR 8 -8.108 -15.286 2.722
31 HA THR 8 HA THR 8 -9.204 -12.782 2.055
32 HB THR 8 HB THR 8 -9.448 -14.293 4.664
33 HG1 THR 8 HG1 THR 8 -10.834 -14.416 2.197
34 HG21 THR 8 3HG2 THR 8 -11.751 -12.749 3.934
35 HG22 THR 8 1HG2 THR 8 -10.329 -11.707 3.973
36 HG23 THR 8 2HG2 THR 8 -10.768 -12.654 5.395
37 H GLY 9 H GLY 9 -8.667 -10.762 2.602
38 HA2 GLY 9 1HA GLY 9 -7.968 -9.391 4.629
39 HA3 GLY 9 2HA GLY 9 -6.543 -10.419 4.621
40 H GLU 10 H GLU 10 -5.980 -10.548 1.921
41 HA GLU 10 HA GLU 10 -4.339 -8.470 1.422
42 HB2 GLU 10 1HB GLU 10 -4.342 -9.062 -0.889
43 HB3 GLU 10 2HB GLU 10 -4.607 -10.541 0.023
44 HG2 GLU 10 1HG GLU 10 -6.936 -10.530 -0.501
45 HG3 GLU 10 2HG GLU 10 -6.814 -8.931 -1.232
46 H LYS 11 H LYS 11 -4.440 -6.396 0.770
47 HA LYS 11 HA LYS 11 -6.976 -5.063 0.832
48 HB2 LYS 11 1HB LYS 11 -4.251 -3.972 0.103
49 HB3 LYS 11 2HB LYS 11 -5.678 -3.019 0.489
50 HG2 LYS 11 1HG LYS 11 -4.692 -4.987 2.490
51 HG3 LYS 11 2HG LYS 11 -3.819 -3.467 2.280
52 HD2 LYS 11 1HD LYS 11 -5.724 -2.186 2.857
53 HD3 LYS 11 2HD LYS 11 -6.793 -3.584 2.724
54 HE2 LYS 11 1HE LYS 11 -6.480 -3.219 5.037
55 HE3 LYS 11 2HE LYS 11 -5.476 -4.608 4.623
56 HZ1 LYS 11 3HZ LYS 11 -3.821 -3.506 5.582
57 HZ2 LYS 11 1HZ LYS 11 -4.706 -2.067 5.668
58 HZ3 LYS 11 2HZ LYS 11 -3.842 -2.446 4.264
59 HA PRO 12 HA PRO 12 -7.994 -5.066 -3.443
60 HB2 PRO 12 1HB PRO 12 -9.372 -2.733 -3.613
61 HB3 PRO 12 2HB PRO 12 -10.019 -4.176 -2.823
62 HG2 PRO 12 1HG PRO 12 -8.734 -1.764 -1.602
63 HG3 PRO 12 2HG PRO 12 -10.175 -2.651 -1.073
64 HD2 PRO 12 1HD PRO 12 -7.749 -2.989 0.082
65 HD3 PRO 12 2HD PRO 12 -8.935 -4.304 -0.051
66 H TYR 13 H TYR 13 -6.502 -2.161 -2.101
67 HA TYR 13 HA TYR 13 -5.332 -1.610 -4.749
68 HB2 TYR 13 1HB TYR 13 -5.949 0.320 -2.503
69 HB3 TYR 13 2HB TYR 13 -5.112 0.747 -3.991
70 HD1 TYR 13 HD2 TYR 13 -6.367 0.428 -6.193
71 HD2 TYR 13 HD1 TYR 13 -8.289 0.349 -2.398
72 HE1 TYR 13 HE2 TYR 13 -8.526 0.870 -7.285
73 HE2 TYR 13 HE1 TYR 13 -10.454 0.789 -3.479
74 HH TYR 13 HH TYR 13 -10.685 1.582 -6.875
75 H LYS 14 H LYS 14 -3.146 -1.078 -4.874
76 HA LYS 14 HA LYS 14 -1.555 -1.308 -2.426
77 HB2 LYS 14 1HB LYS 14 -1.740 -3.547 -3.628
78 HB3 LYS 14 2HB LYS 14 -0.815 -2.815 -4.932
79 HG2 LYS 14 1HG LYS 14 0.969 -2.302 -3.238
80 HG3 LYS 14 2HG LYS 14 0.066 -3.305 -2.100
81 HD2 LYS 14 1HD LYS 14 0.181 -5.129 -3.884
82 HD3 LYS 14 2HD LYS 14 1.400 -4.121 -4.668
83 HE2 LYS 14 1HE LYS 14 2.937 -4.442 -2.993
84 HE3 LYS 14 2HE LYS 14 1.702 -4.737 -1.770
85 HZ1 LYS 14 3HZ LYS 14 2.234 -6.871 -2.039
86 HZ2 LYS 14 1HZ LYS 14 3.048 -6.597 -3.496
87 HZ3 LYS 14 2HZ LYS 14 1.369 -6.799 -3.491
88 H CYS 15 H CYS 15 0.557 -0.399 -2.580
89 HA CYS 15 HA CYS 15 0.668 1.855 -4.374
90 HB2 CYS 15 1HB CYS 15 1.375 1.928 -1.956
91 HB3 CYS 15 2HB CYS 15 2.770 0.950 -2.401
92 H GLU 16 H GLU 16 2.056 2.190 -6.055
93 HA GLU 16 HA GLU 16 3.378 -0.187 -7.110
94 HB2 GLU 16 1HB GLU 16 1.818 1.538 -8.385
95 HB3 GLU 16 2HB GLU 16 3.335 2.403 -8.587
96 HG2 GLU 16 1HG GLU 16 3.221 -0.490 -9.276
97 HG3 GLU 16 2HG GLU 16 2.512 0.687 -10.379
98 H GLU 17 H GLU 17 4.302 1.919 -4.952
99 HA GLU 17 HA GLU 17 6.959 2.421 -6.112
100 HB2 GLU 17 1HB GLU 17 5.461 3.773 -3.872
101 HB3 GLU 17 2HB GLU 17 7.178 4.027 -4.147
102 HG2 GLU 17 1HG GLU 17 6.351 4.571 -6.590
103 HG3 GLU 17 2HG GLU 17 4.845 4.924 -5.745
104 H CYS 18 H CYS 18 5.329 1.317 -3.158
105 HA CYS 18 HA CYS 18 7.808 -0.102 -2.426
106 HB2 CYS 18 1HB CYS 18 6.978 0.052 -0.060
107 HB3 CYS 18 2HB CYS 18 7.403 1.599 -0.784
108 H GLY 19 H GLY 19 4.271 -0.212 -2.428
109 HA2 GLY 19 1HA GLY 19 3.167 -2.234 -3.167
110 HA3 GLY 19 2HA GLY 19 4.466 -3.155 -2.423
111 H LYS 20 H LYS 20 2.459 -0.497 -1.175
112 HA LYS 20 HA LYS 20 1.818 -2.189 1.138
113 HB2 LYS 20 1HB LYS 20 2.870 0.228 1.239
114 HB3 LYS 20 2HB LYS 20 1.197 0.735 1.041
115 HG2 LYS 20 1HG LYS 20 1.397 0.708 3.323
116 HG3 LYS 20 2HG LYS 20 0.760 -0.909 3.017
117 HD2 LYS 20 1HD LYS 20 3.176 -1.691 2.968
118 HD3 LYS 20 2HD LYS 20 3.596 -0.108 3.627
119 HE2 LYS 20 1HE LYS 20 1.951 -0.577 5.480
120 HE3 LYS 20 2HE LYS 20 1.858 -2.229 4.872
121 HZ1 LYS 20 3HZ LYS 20 3.455 -2.276 6.560
122 HZ2 LYS 20 1HZ LYS 20 4.192 -0.843 6.046
123 HZ3 LYS 20 2HZ LYS 20 4.362 -2.255 5.132
124 H GLY 21 H GLY 21 -0.196 -2.893 1.494
125 HA2 GLY 21 1HA GLY 21 -2.235 -2.346 -0.474
126 HA3 GLY 21 2HA GLY 21 -2.366 -3.447 0.889
127 H PHE 22 H PHE 22 -4.235 -1.396 -0.150
128 HA PHE 22 HA PHE 22 -4.703 -0.050 2.406
129 HB2 PHE 22 1HB PHE 22 -4.860 1.372 -0.259
130 HB3 PHE 22 2HB PHE 22 -5.208 2.070 1.319
131 HD1 PHE 22 HD2 PHE 22 -3.403 2.557 2.889
132 HD2 PHE 22 HD1 PHE 22 -2.612 1.057 -1.015
133 HE1 PHE 22 HE2 PHE 22 -1.048 3.235 3.109
134 HE2 PHE 22 HE1 PHE 22 -0.255 1.731 -0.801
135 HZ PHE 22 HZ PHE 22 0.529 2.823 1.263
136 H ILE 23 H ILE 23 -6.862 0.327 2.891
137 HA ILE 23 HA ILE 23 -8.736 -1.327 1.433
138 HB ILE 23 HB ILE 23 -10.337 -0.653 3.235
139 HG12 ILE 23 1HG1 ILE 23 -7.949 0.566 4.610
140 HG13 ILE 23 2HG1 ILE 23 -9.064 1.539 3.658
141 HG21 ILE 23 1HG2 ILE 23 -9.396 -2.679 3.713
142 HG22 ILE 23 2HG2 ILE 23 -7.754 -2.038 3.723
143 HG23 ILE 23 3HG2 ILE 23 -8.822 -1.747 5.096
144 HD11 ILE 23 3HD1 ILE 23 -9.839 -0.152 6.022
145 HD12 ILE 23 1HD1 ILE 23 -9.555 1.588 6.063
146 HD13 ILE 23 2HD1 ILE 23 -10.889 0.934 5.111
147 H CYS 24 H CYS 24 -7.877 1.990 1.599
148 HA CYS 24 HA CYS 24 -10.168 2.651 -0.120
149 HB2 CYS 24 1HB CYS 24 -9.265 3.999 2.374
150 HB3 CYS 24 2HB CYS 24 -9.810 5.026 1.054
151 HG CYS 24 HG CYS 24 -12.074 4.906 2.437
152 H ARG 25 H ARG 25 -9.794 4.660 -1.404
153 HA ARG 25 HA ARG 25 -7.234 4.502 -2.679
154 HB2 ARG 25 1HB ARG 25 -9.606 6.322 -3.112
155 HB3 ARG 25 2HB ARG 25 -8.154 6.362 -4.103
156 HG2 ARG 25 1HG ARG 25 -9.433 5.000 -5.386
157 HG3 ARG 25 2HG ARG 25 -8.691 3.783 -4.347
158 HD2 ARG 25 1HD ARG 25 -11.223 5.045 -3.437
159 HD3 ARG 25 2HD ARG 25 -11.308 3.878 -4.756
160 HE ARG 25 HE ARG 25 -9.774 2.796 -2.666
161 HH11 ARG 25 1HH1 ARG 25 -13.062 3.662 -3.415
162 HH12 ARG 25 2HH1 ARG 25 -13.753 2.473 -2.362
163 HH21 ARG 25 1HH2 ARG 25 -10.672 1.226 -1.276
164 HH22 ARG 25 2HH2 ARG 25 -12.393 1.088 -1.145
165 H ARG 26 H ARG 26 -8.961 7.092 -0.942
166 HA ARG 26 HA ARG 26 -7.206 9.137 -1.018
167 HB2 ARG 26 1HB ARG 26 -7.957 9.779 1.241
168 HB3 ARG 26 2HB ARG 26 -9.293 9.270 0.218
169 HG2 ARG 26 1HG ARG 26 -8.881 6.947 1.344
170 HG3 ARG 26 2HG ARG 26 -8.100 7.923 2.589
171 HD2 ARG 26 1HD ARG 26 -10.859 8.539 1.572
172 HD3 ARG 26 2HD ARG 26 -10.581 7.398 2.887
173 HE ARG 26 HE ARG 26 -9.307 9.922 3.326
174 HH11 ARG 26 1HH1 ARG 26 -12.316 8.190 3.577
175 HH12 ARG 26 2HH1 ARG 26 -12.939 9.193 4.844
176 HH21 ARG 26 1HH2 ARG 26 -10.115 11.251 4.994
177 HH22 ARG 26 2HH2 ARG 26 -11.686 10.935 5.649
178 H ASP 27 H ASP 27 -7.010 6.445 1.306
179 HA ASP 27 HA ASP 27 -4.670 7.248 2.597
180 HB2 ASP 27 1HB ASP 27 -5.465 4.377 2.099
181 HB3 ASP 27 2HB ASP 27 -4.523 5.014 3.444
182 H LEU 28 H LEU 28 -5.111 5.201 -0.263
183 HA LEU 28 HA LEU 28 -2.439 4.473 -0.640
184 HB2 LEU 28 1HB LEU 28 -4.010 3.292 -1.892
185 HB3 LEU 28 2HB LEU 28 -4.780 4.763 -2.483
186 HG LEU 28 HG LEU 28 -2.803 5.186 -3.906
187 HD11 LEU 28 1HD1 LEU 28 -1.127 3.483 -4.214
188 HD12 LEU 28 2HD1 LEU 28 -1.923 2.436 -3.039
189 HD13 LEU 28 3HD1 LEU 28 -1.180 3.947 -2.513
190 HD21 LEU 28 3HD2 LEU 28 -3.689 2.419 -4.558
191 HD22 LEU 28 1HD2 LEU 28 -3.539 3.834 -5.600
192 HD23 LEU 28 2HD2 LEU 28 -4.898 3.703 -4.483
193 H TYR 29 H TYR 29 -4.264 7.156 -2.111
194 HA TYR 29 HA TYR 29 -2.097 8.251 -3.528
195 HB2 TYR 29 1HB TYR 29 -4.789 9.210 -2.691
196 HB3 TYR 29 2HB TYR 29 -3.619 10.419 -3.209
197 HD1 TYR 29 HD1 TYR 29 -5.504 7.426 -4.268
198 HD2 TYR 29 HD2 TYR 29 -3.035 10.662 -5.507
199 HE1 TYR 29 HE1 TYR 29 -6.050 6.936 -6.616
200 HE2 TYR 29 HE2 TYR 29 -3.575 10.182 -7.858
201 HH TYR 29 HH TYR 29 -5.852 8.840 -8.986
202 H THR 30 H THR 30 -3.568 9.331 -0.463
203 HA THR 30 HA THR 30 -1.770 11.353 0.143
204 HB THR 30 HB THR 30 -3.156 9.531 2.120
205 HG1 THR 30 HG1 THR 30 -3.999 11.739 0.597
206 HG21 THR 30 3HG2 THR 30 -1.250 11.071 2.908
207 HG22 THR 30 1HG2 THR 30 -2.792 11.162 3.759
208 HG23 THR 30 2HG2 THR 30 -2.367 12.393 2.569
209 H HIS 31 H HIS 31 -1.468 7.890 0.552
210 HA HIS 31 HA HIS 31 0.736 7.876 2.307
211 HB2 HIS 31 1HB HIS 31 -0.228 5.793 2.176
212 HB3 HIS 31 2HB HIS 31 -0.508 5.912 0.442
213 HD1 HIS 31 HD1 HIS 31 2.372 5.374 2.856
214 HD2 HIS 31 HD2 HIS 31 1.300 4.564 -1.076
215 HE1 HIS 31 HE1 HIS 31 4.203 3.908 1.949
216 H HIS 32 H HIS 32 0.523 7.892 -1.226
217 HA HIS 32 HA HIS 32 3.095 7.455 -1.991
218 HB2 HIS 32 1HB HIS 32 1.547 7.833 -3.717
219 HB3 HIS 32 2HB HIS 32 1.038 9.379 -3.046
220 HD1 HIS 32 HD1 HIS 32 2.905 8.100 -5.750
221 HD2 HIS 32 HD2 HIS 32 3.446 11.270 -3.120
222 HE1 HIS 32 HE1 HIS 32 4.526 9.649 -6.888
223 H MET 33 H MET 33 1.917 10.113 -0.146
224 HA MET 33 HA MET 33 3.800 12.086 -0.669
225 HB2 MET 33 1HB MET 33 2.378 11.374 1.897
226 HB3 MET 33 2HB MET 33 3.362 12.818 1.708
227 HG2 MET 33 1HG MET 33 1.020 12.191 -0.064
228 HG3 MET 33 2HG MET 33 0.882 13.116 1.429
229 HE1 MET 33 3HE MET 33 -0.319 14.117 -0.696
230 HE2 MET 33 1HE MET 33 0.133 15.799 -0.417
231 HE3 MET 33 2HE MET 33 0.492 15.035 -1.966
232 H VAL 34 H VAL 34 3.968 9.362 1.594
233 HA VAL 34 HA VAL 34 6.347 9.947 2.875
234 HB VAL 34 HB VAL 34 6.579 7.589 3.345
235 HG11 VAL 34 1HG1 VAL 34 4.039 7.127 3.900
236 HG12 VAL 34 2HG1 VAL 34 4.957 8.369 4.755
237 HG13 VAL 34 3HG1 VAL 34 3.874 8.820 3.437
238 HG21 VAL 34 3HG2 VAL 34 5.721 7.167 0.796
239 HG22 VAL 34 1HG2 VAL 34 5.852 5.918 2.034
240 HG23 VAL 34 2HG2 VAL 34 4.300 6.698 1.728
241 H HIS 35 H HIS 35 5.823 9.006 -0.394
242 HA HIS 35 HA HIS 35 8.571 8.174 -0.822
243 HB2 HIS 35 1HB HIS 35 6.190 8.434 -2.659
244 HB3 HIS 35 2HB HIS 35 7.797 7.997 -3.233
245 HD1 HIS 35 HD1 HIS 35 8.763 5.690 -2.323
246 HD2 HIS 35 HD2 HIS 35 4.734 6.376 -1.576
247 HE1 HIS 35 HE1 HIS 35 7.803 3.450 -1.705
248 H THR 36 H THR 36 6.578 10.991 -1.229
249 HA THR 36 HA THR 36 8.520 12.347 -2.907
250 HB THR 36 HB THR 36 6.985 14.155 -3.039
251 HG1 THR 36 HG1 THR 36 6.376 14.377 -0.886
252 HG21 THR 36 3HG2 THR 36 4.856 13.038 -3.666
253 HG22 THR 36 1HG2 THR 36 5.465 11.547 -2.948
254 HG23 THR 36 2HG2 THR 36 6.280 12.250 -4.346
255 H GLY 37 H GLY 37 8.000 11.863 0.402
256 HA2 GLY 37 1HA GLY 37 9.176 14.393 1.232
257 HA3 GLY 37 2HA GLY 37 8.616 13.106 2.289
258 H GLU 38 H GLU 38 10.816 12.639 -0.410
259 HA GLU 38 HA GLU 38 12.815 11.475 -0.384
260 HB2 GLU 38 1HB GLU 38 13.421 13.870 1.359
261 HB3 GLU 38 2HB GLU 38 14.622 12.883 0.539
262 HG2 GLU 38 1HG GLU 38 13.162 13.525 -1.575
263 HG3 GLU 38 2HG GLU 38 12.756 14.905 -0.556
264 H LYS 39 H LYS 39 11.131 10.293 1.474
265 HA LYS 39 HA LYS 39 12.090 10.076 4.079
266 HB2 LYS 39 1HB LYS 39 10.841 8.021 4.226
267 HB3 LYS 39 2HB LYS 39 9.923 9.166 3.257
268 HG2 LYS 39 1HG LYS 39 9.692 7.235 2.041
269 HG3 LYS 39 2HG LYS 39 11.081 7.985 1.250
270 HD2 LYS 39 1HD LYS 39 12.567 6.465 2.119
271 HD3 LYS 39 2HD LYS 39 11.564 6.131 3.533
272 HE2 LYS 39 1HE LYS 39 9.921 5.089 1.839
273 HE3 LYS 39 2HE LYS 39 11.296 5.084 0.735
274 HZ1 LYS 39 3HZ LYS 39 12.481 3.924 2.702
275 HZ2 LYS 39 1HZ LYS 39 11.443 3.025 1.712
276 HZ3 LYS 39 2HZ LYS 39 10.913 3.566 3.225
277 HA PRO 40 HA PRO 40 15.858 7.835 3.826
278 HB2 PRO 40 1HB PRO 40 15.772 6.429 6.147
279 HB3 PRO 40 2HB PRO 40 16.064 8.171 6.090
280 HG2 PRO 40 1HG PRO 40 13.527 6.695 6.673
281 HG3 PRO 40 2HG PRO 40 14.205 8.118 7.485
282 HD2 PRO 40 1HD PRO 40 12.218 8.294 5.653
283 HD3 PRO 40 2HD PRO 40 13.441 9.564 5.860
284 H SER 41 H SER 41 16.102 6.256 2.371
285 HA SER 41 HA SER 41 14.705 3.703 2.841
286 HB2 SER 41 1HB SER 41 13.805 4.850 0.859
287 HB3 SER 41 2HB SER 41 15.426 4.939 0.171
288 HG SER 41 HG SER 41 14.131 2.513 0.864
289 H GLY 42 H GLY 42 16.295 2.550 3.820
290 HA2 GLY 42 1HA GLY 42 18.183 1.159 2.469
291 HA3 GLY 42 2HA GLY 42 19.024 2.647 2.876
292 HA PRO 43 HA PRO 43 18.905 -0.547 6.440
293 HB2 PRO 43 1HB PRO 43 21.342 -1.695 6.097
294 HB3 PRO 43 2HB PRO 43 19.865 -2.340 5.370
295 HG2 PRO 43 1HG PRO 43 21.994 -0.632 4.139
296 HG3 PRO 43 2HG PRO 43 21.161 -2.044 3.462
297 HD2 PRO 43 1HD PRO 43 20.490 0.496 2.807
298 HD3 PRO 43 2HD PRO 43 19.300 -0.820 2.871
299 H SER 44 H SER 44 20.641 2.061 5.301
300 HA SER 44 HA SER 44 22.437 2.213 7.602
301 HB2 SER 44 1HB SER 44 23.285 4.282 6.436
302 HB3 SER 44 2HB SER 44 23.472 2.791 5.513
303 HG SER 44 HG SER 44 22.140 5.017 4.852
304 H SER 45 H SER 45 21.128 2.679 9.328
305 HA SER 45 HA SER 45 19.496 5.121 9.154
306 HB2 SER 45 1HB SER 45 19.238 2.589 10.699
307 HB3 SER 45 2HB SER 45 18.676 4.070 11.473
308 HG SER 45 HG SER 45 17.191 4.347 9.897
309 H GLY 46 H GLY 46 19.287 6.158 11.476
310 HA2 GLY 46 1HA GLY 46 20.452 6.740 13.503
311 HA3 GLY 46 2HA GLY 46 21.955 6.276 12.719
Start of MODEL 14
1 H1 GLY 1 H GLY 1 14.273 -4.299 11.653
2 HA2 GLY 1 1HA GLY 1 13.328 -6.491 10.058
3 HA3 GLY 1 2HA GLY 1 14.101 -7.027 11.542
4 H SER 2 H SER 2 13.031 -6.859 13.457
5 HA SER 2 HA SER 2 11.087 -6.980 14.692
6 HB2 SER 2 1HB SER 2 10.260 -4.765 15.275
7 HB3 SER 2 2HB SER 2 12.016 -4.716 15.120
8 HG SER 2 HG SER 2 10.170 -3.940 13.106
9 H SER 3 H SER 3 10.581 -7.950 12.138
10 HA SER 3 HA SER 3 7.924 -6.841 11.515
11 HB2 SER 3 1HB SER 3 9.695 -6.844 9.692
12 HB3 SER 3 2HB SER 3 9.581 -8.604 9.706
13 HG SER 3 HG SER 3 7.312 -6.950 9.373
14 H GLY 4 H GLY 4 6.150 -8.153 11.499
15 HA2 GLY 4 1HA GLY 4 6.082 -10.924 11.347
16 HA3 GLY 4 2HA GLY 4 6.247 -10.528 13.051
17 H SER 5 H SER 5 4.092 -11.815 12.760
18 HA SER 5 HA SER 5 1.807 -11.854 12.759
19 HB2 SER 5 1HB SER 5 2.536 -9.260 14.076
20 HB3 SER 5 2HB SER 5 0.838 -9.661 13.821
21 HG SER 5 HG SER 5 0.976 -10.949 15.461
22 H SER 6 H SER 6 2.829 -11.221 10.253
23 HA SER 6 HA SER 6 0.938 -9.191 9.262
24 HB2 SER 6 1HB SER 6 3.468 -8.880 8.894
25 HB3 SER 6 2HB SER 6 3.330 -10.196 7.729
26 HG SER 6 HG SER 6 3.080 -8.169 6.722
27 H GLY 7 H GLY 7 0.441 -9.666 6.806
28 HA2 GLY 7 1HA GLY 7 0.194 -11.628 5.260
29 HA3 GLY 7 2HA GLY 7 -0.404 -12.495 6.667
30 H THR 8 H THR 8 -1.061 -9.676 4.616
31 HA THR 8 HA THR 8 -3.888 -9.815 5.384
32 HB THR 8 HB THR 8 -4.106 -7.626 4.237
33 HG1 THR 8 HG1 THR 8 -1.280 -7.880 3.938
34 HG21 THR 8 3HG2 THR 8 -2.157 -6.587 5.870
35 HG22 THR 8 1HG2 THR 8 -2.475 -8.159 6.602
36 HG23 THR 8 2HG2 THR 8 -3.793 -7.010 6.372
37 H GLY 9 H GLY 9 -5.540 -9.956 3.838
38 HA2 GLY 9 1HA GLY 9 -5.032 -11.667 1.656
39 HA3 GLY 9 2HA GLY 9 -6.536 -10.808 1.954
40 H GLU 10 H GLU 10 -6.662 -10.588 -0.371
41 HA GLU 10 HA GLU 10 -4.706 -8.949 -1.714
42 HB2 GLU 10 1HB GLU 10 -5.991 -10.811 -2.819
43 HB3 GLU 10 2HB GLU 10 -7.424 -9.797 -2.719
44 HG2 GLU 10 1HG GLU 10 -6.767 -9.286 -4.823
45 HG3 GLU 10 2HG GLU 10 -5.847 -8.067 -3.943
46 H LYS 11 H LYS 11 -4.636 -6.863 -1.155
47 HA LYS 11 HA LYS 11 -6.954 -5.392 -0.335
48 HB2 LYS 11 1HB LYS 11 -4.208 -4.355 -1.055
49 HB3 LYS 11 2HB LYS 11 -5.446 -3.492 -0.153
50 HG2 LYS 11 1HG LYS 11 -4.169 -6.051 0.779
51 HG3 LYS 11 2HG LYS 11 -3.615 -4.440 1.240
52 HD2 LYS 11 1HD LYS 11 -6.487 -5.154 1.624
53 HD3 LYS 11 2HD LYS 11 -5.289 -5.774 2.762
54 HE2 LYS 11 1HE LYS 11 -5.341 -2.868 2.049
55 HE3 LYS 11 2HE LYS 11 -6.466 -3.511 3.245
56 HZ1 LYS 11 3HZ LYS 11 -3.527 -3.350 3.371
57 HZ2 LYS 11 1HZ LYS 11 -4.354 -4.500 4.295
58 HZ3 LYS 11 2HZ LYS 11 -4.671 -2.854 4.513
59 HA PRO 12 HA PRO 12 -8.365 -3.983 -4.259
60 HB2 PRO 12 1HB PRO 12 -9.640 -1.716 -3.478
61 HB3 PRO 12 2HB PRO 12 -10.282 -3.334 -3.170
62 HG2 PRO 12 1HG PRO 12 -8.778 -1.512 -1.332
63 HG3 PRO 12 2HG PRO 12 -10.207 -2.508 -0.998
64 HD2 PRO 12 1HD PRO 12 -7.707 -3.260 -0.278
65 HD3 PRO 12 2HD PRO 12 -8.962 -4.430 -0.735
66 H TYR 13 H TYR 13 -6.419 -1.937 -2.200
67 HA TYR 13 HA TYR 13 -5.382 -0.591 -4.593
68 HB2 TYR 13 1HB TYR 13 -6.120 0.779 -1.999
69 HB3 TYR 13 2HB TYR 13 -5.266 1.542 -3.336
70 HD1 TYR 13 HD2 TYR 13 -6.432 2.078 -5.414
71 HD2 TYR 13 HD1 TYR 13 -8.493 0.328 -2.128
72 HE1 TYR 13 HE2 TYR 13 -8.581 2.694 -6.441
73 HE2 TYR 13 HE1 TYR 13 -10.647 0.939 -3.146
74 HH TYR 13 HH TYR 13 -11.542 2.524 -4.749
75 H LYS 14 H LYS 14 -3.281 -0.956 -4.740
76 HA LYS 14 HA LYS 14 -1.697 -1.130 -2.263
77 HB2 LYS 14 1HB LYS 14 -2.061 -3.356 -3.364
78 HB3 LYS 14 2HB LYS 14 -1.200 -2.743 -4.769
79 HG2 LYS 14 1HG LYS 14 0.513 -3.794 -3.720
80 HG3 LYS 14 2HG LYS 14 0.647 -2.210 -2.952
81 HD2 LYS 14 1HD LYS 14 -0.284 -2.954 -0.964
82 HD3 LYS 14 2HD LYS 14 -1.086 -4.324 -1.735
83 HE2 LYS 14 1HE LYS 14 1.333 -5.135 -2.216
84 HE3 LYS 14 2HE LYS 14 1.782 -4.006 -0.939
85 HZ1 LYS 14 3HZ LYS 14 0.416 -6.549 -0.759
86 HZ2 LYS 14 1HZ LYS 14 -0.249 -5.324 0.200
87 HZ3 LYS 14 2HZ LYS 14 1.376 -5.752 0.383
88 H CYS 15 H CYS 15 0.438 -0.349 -2.365
89 HA CYS 15 HA CYS 15 0.790 1.855 -4.160
90 HB2 CYS 15 1HB CYS 15 1.547 1.974 -1.828
91 HB3 CYS 15 2HB CYS 15 2.688 0.667 -2.126
92 H GLU 16 H GLU 16 2.473 2.156 -5.670
93 HA GLU 16 HA GLU 16 3.415 -0.354 -6.863
94 HB2 GLU 16 1HB GLU 16 2.063 1.548 -8.102
95 HB3 GLU 16 2HB GLU 16 3.654 2.279 -8.251
96 HG2 GLU 16 1HG GLU 16 4.461 0.560 -9.585
97 HG3 GLU 16 2HG GLU 16 3.194 -0.557 -9.079
98 H GLU 17 H GLU 17 4.484 2.558 -5.339
99 HA GLU 17 HA GLU 17 7.168 2.534 -6.268
100 HB2 GLU 17 1HB GLU 17 5.873 3.788 -3.848
101 HB3 GLU 17 2HB GLU 17 7.571 4.004 -4.247
102 HG2 GLU 17 1HG GLU 17 5.272 4.761 -6.035
103 HG3 GLU 17 2HG GLU 17 6.152 5.873 -4.987
104 H CYS 18 H CYS 18 5.590 1.267 -3.358
105 HA CYS 18 HA CYS 18 7.945 -0.443 -2.928
106 HB2 CYS 18 1HB CYS 18 7.721 -0.165 -0.512
107 HB3 CYS 18 2HB CYS 18 7.975 1.395 -1.287
108 H GLY 19 H GLY 19 4.485 0.052 -2.413
109 HA2 GLY 19 1HA GLY 19 2.840 -1.598 -2.742
110 HA3 GLY 19 2HA GLY 19 4.088 -2.831 -2.644
111 H LYS 20 H LYS 20 2.226 -0.523 -0.715
112 HA LYS 20 HA LYS 20 2.866 -1.999 1.721
113 HB2 LYS 20 1HB LYS 20 2.688 0.630 1.372
114 HB3 LYS 20 2HB LYS 20 0.991 0.320 1.713
115 HG2 LYS 20 1HG LYS 20 3.012 -0.837 3.553
116 HG3 LYS 20 2HG LYS 20 2.717 0.902 3.621
117 HD2 LYS 20 1HD LYS 20 1.133 0.218 5.107
118 HD3 LYS 20 2HD LYS 20 0.189 0.081 3.622
119 HE2 LYS 20 1HE LYS 20 1.268 -2.347 3.623
120 HE3 LYS 20 2HE LYS 20 1.335 -2.039 5.358
121 HZ1 LYS 20 3HZ LYS 20 -0.716 -3.064 4.992
122 HZ2 LYS 20 1HZ LYS 20 -1.048 -2.147 3.609
123 HZ3 LYS 20 2HZ LYS 20 -1.098 -1.422 5.137
124 H GLY 21 H GLY 21 -0.177 -0.576 0.521
125 HA2 GLY 21 1HA GLY 21 -1.951 -2.238 -0.111
126 HA3 GLY 21 2HA GLY 21 -1.531 -3.057 1.386
127 H PHE 22 H PHE 22 -3.847 -1.262 0.079
128 HA PHE 22 HA PHE 22 -4.689 -0.228 2.676
129 HB2 PHE 22 1HB PHE 22 -4.776 1.481 0.183
130 HB3 PHE 22 2HB PHE 22 -5.273 1.951 1.805
131 HD1 PHE 22 HD1 PHE 22 -2.408 1.236 -0.373
132 HD2 PHE 22 HD2 PHE 22 -3.671 2.604 3.455
133 HE1 PHE 22 HE1 PHE 22 -0.138 2.073 0.073
134 HE2 PHE 22 HE2 PHE 22 -1.403 3.444 3.907
135 HZ PHE 22 HZ PHE 22 0.367 3.179 2.215
136 H ILE 23 H ILE 23 -7.003 0.407 2.674
137 HA ILE 23 HA ILE 23 -8.517 -1.448 0.990
138 HB ILE 23 HB ILE 23 -9.428 0.068 3.438
139 HG12 ILE 23 1HG1 ILE 23 -8.992 -2.885 3.402
140 HG13 ILE 23 2HG1 ILE 23 -7.585 -1.837 3.545
141 HG21 ILE 23 1HG2 ILE 23 -11.462 -0.902 3.237
142 HG22 ILE 23 2HG2 ILE 23 -11.024 -0.917 1.529
143 HG23 ILE 23 3HG2 ILE 23 -10.812 -2.370 2.507
144 HD11 ILE 23 3HD1 ILE 23 -7.969 -1.593 5.703
145 HD12 ILE 23 1HD1 ILE 23 -9.573 -0.941 5.368
146 HD13 ILE 23 2HD1 ILE 23 -9.351 -2.680 5.567
147 H CYS 24 H CYS 24 -8.629 1.930 2.098
148 HA CYS 24 HA CYS 24 -10.728 2.597 0.240
149 HB2 CYS 24 1HB CYS 24 -9.021 4.355 2.014
150 HB3 CYS 24 2HB CYS 24 -10.411 4.905 1.087
151 HG CYS 24 HG CYS 24 -12.167 3.109 2.498
152 H ARG 25 H ARG 25 -10.392 4.605 -1.171
153 HA ARG 25 HA ARG 25 -8.163 4.042 -2.930
154 HB2 ARG 25 1HB ARG 25 -10.323 4.417 -3.945
155 HB3 ARG 25 2HB ARG 25 -10.474 5.975 -3.143
156 HG2 ARG 25 1HG ARG 25 -9.026 7.013 -4.577
157 HG3 ARG 25 2HG ARG 25 -8.155 5.524 -4.948
158 HD2 ARG 25 1HD ARG 25 -9.329 5.928 -6.905
159 HD3 ARG 25 2HD ARG 25 -10.369 4.784 -6.058
160 HE ARG 25 HE ARG 25 -11.976 6.396 -5.991
161 HH11 ARG 25 1HH1 ARG 25 -8.885 7.936 -6.435
162 HH12 ARG 25 2HH1 ARG 25 -9.556 9.523 -6.619
163 HH21 ARG 25 1HH2 ARG 25 -12.871 8.480 -6.232
164 HH22 ARG 25 2HH2 ARG 25 -11.823 9.831 -6.502
165 H ARG 26 H ARG 26 -9.332 6.755 -0.972
166 HA ARG 26 HA ARG 26 -7.380 8.623 -1.700
167 HB2 ARG 26 1HB ARG 26 -7.936 9.735 0.457
168 HB3 ARG 26 2HB ARG 26 -9.349 9.323 -0.505
169 HG2 ARG 26 1HG ARG 26 -9.439 7.189 0.933
170 HG3 ARG 26 2HG ARG 26 -8.361 8.066 2.022
171 HD2 ARG 26 1HD ARG 26 -9.968 9.804 2.329
172 HD3 ARG 26 2HD ARG 26 -10.994 9.157 1.049
173 HE ARG 26 HE ARG 26 -10.800 8.214 3.776
174 HH11 ARG 26 1HH1 ARG 26 -11.832 7.527 0.524
175 HH12 ARG 26 2HH1 ARG 26 -12.985 6.326 1.004
176 HH21 ARG 26 1HH2 ARG 26 -12.314 6.635 4.422
177 HH22 ARG 26 2HH2 ARG 26 -13.259 5.821 3.222
178 H ASP 27 H ASP 27 -7.484 6.532 1.188
179 HA ASP 27 HA ASP 27 -5.205 7.099 2.466
180 HB2 ASP 27 1HB ASP 27 -6.479 4.459 1.858
181 HB3 ASP 27 2HB ASP 27 -4.936 4.492 2.707
182 H LEU 28 H LEU 28 -5.374 5.184 -0.511
183 HA LEU 28 HA LEU 28 -2.690 4.482 -0.721
184 HB2 LEU 28 1HB LEU 28 -4.221 3.453 -2.183
185 HB3 LEU 28 2HB LEU 28 -4.810 5.002 -2.783
186 HG LEU 28 HG LEU 28 -2.705 5.349 -3.972
187 HD11 LEU 28 1HD1 LEU 28 -1.807 3.248 -2.252
188 HD12 LEU 28 2HD1 LEU 28 -0.871 4.289 -3.324
189 HD13 LEU 28 3HD1 LEU 28 -1.556 2.784 -3.935
190 HD21 LEU 28 3HD2 LEU 28 -4.100 4.400 -5.479
191 HD22 LEU 28 1HD2 LEU 28 -4.441 3.006 -4.453
192 HD23 LEU 28 2HD2 LEU 28 -2.937 3.077 -5.373
193 H TYR 29 H TYR 29 -4.303 7.188 -2.402
194 HA TYR 29 HA TYR 29 -2.067 8.390 -3.470
195 HB2 TYR 29 1HB TYR 29 -4.710 9.482 -2.556
196 HB3 TYR 29 2HB TYR 29 -3.467 10.567 -3.169
197 HD1 TYR 29 HD1 TYR 29 -5.793 7.864 -4.030
198 HD2 TYR 29 HD2 TYR 29 -2.859 10.566 -5.511
199 HE1 TYR 29 HE1 TYR 29 -6.506 7.367 -6.331
200 HE2 TYR 29 HE2 TYR 29 -3.565 10.078 -7.816
201 HH TYR 29 HH TYR 29 -5.374 9.204 -9.042
202 H THR 30 H THR 30 -3.420 8.745 -0.230
203 HA THR 30 HA THR 30 -1.784 10.852 0.648
204 HB THR 30 HB THR 30 -2.983 8.621 2.301
205 HG1 THR 30 HG1 THR 30 -4.460 9.954 1.007
206 HG21 THR 30 3HG2 THR 30 -1.265 9.811 3.534
207 HG22 THR 30 1HG2 THR 30 -2.856 10.262 4.146
208 HG23 THR 30 2HG2 THR 30 -1.977 11.360 3.082
209 H HIS 31 H HIS 31 -1.236 7.405 0.420
210 HA HIS 31 HA HIS 31 1.029 7.238 2.090
211 HB2 HIS 31 1HB HIS 31 -0.152 5.235 1.421
212 HB3 HIS 31 2HB HIS 31 0.197 5.549 -0.277
213 HD1 HIS 31 HD1 HIS 31 2.152 4.893 2.923
214 HD2 HIS 31 HD2 HIS 31 2.375 4.223 -1.171
215 HE1 HIS 31 HE1 HIS 31 4.216 3.498 2.582
216 H HIS 32 H HIS 32 0.606 8.220 -1.235
217 HA HIS 32 HA HIS 32 3.149 7.989 -2.259
218 HB2 HIS 32 1HB HIS 32 0.932 8.955 -3.288
219 HB3 HIS 32 2HB HIS 32 1.603 10.501 -2.775
220 HD1 HIS 32 HD1 HIS 32 2.385 11.534 -4.895
221 HD2 HIS 32 HD2 HIS 32 3.553 7.561 -4.570
222 HE1 HIS 32 HE1 HIS 32 3.883 11.110 -6.870
223 H MET 33 H MET 33 2.094 9.962 0.324
224 HA MET 33 HA MET 33 3.823 12.128 0.224
225 HB2 MET 33 1HB MET 33 2.622 10.602 2.520
226 HB3 MET 33 2HB MET 33 3.690 11.971 2.799
227 HG2 MET 33 1HG MET 33 1.089 12.011 1.288
228 HG3 MET 33 2HG MET 33 1.381 12.664 2.898
229 HE1 MET 33 3HE MET 33 1.122 15.246 -0.483
230 HE2 MET 33 1HE MET 33 1.069 13.505 -0.756
231 HE3 MET 33 2HE MET 33 0.046 14.234 0.482
232 H VAL 34 H VAL 34 4.354 8.980 1.810
233 HA VAL 34 HA VAL 34 6.969 9.481 2.681
234 HB VAL 34 HB VAL 34 7.209 7.109 2.982
235 HG11 VAL 34 1HG1 VAL 34 4.543 8.298 3.605
236 HG12 VAL 34 2HG1 VAL 34 4.864 6.612 4.014
237 HG13 VAL 34 3HG1 VAL 34 5.873 7.892 4.689
238 HG21 VAL 34 3HG2 VAL 34 5.778 6.895 0.621
239 HG22 VAL 34 1HG2 VAL 34 6.312 5.564 1.648
240 HG23 VAL 34 2HG2 VAL 34 4.691 6.232 1.840
241 H HIS 35 H HIS 35 5.779 9.077 -0.454
242 HA HIS 35 HA HIS 35 8.444 8.347 -1.473
243 HB2 HIS 35 1HB HIS 35 5.731 8.093 -2.787
244 HB3 HIS 35 2HB HIS 35 7.262 7.716 -3.571
245 HD1 HIS 35 HD1 HIS 35 8.704 5.797 -2.162
246 HD2 HIS 35 HD2 HIS 35 4.585 5.938 -1.633
247 HE1 HIS 35 HE1 HIS 35 8.070 3.553 -1.221
248 H THR 36 H THR 36 7.175 11.027 -0.666
249 HA THR 36 HA THR 36 7.752 12.435 -3.192
250 HB THR 36 HB THR 36 6.297 14.258 -2.423
251 HG1 THR 36 HG1 THR 36 6.597 13.440 -0.093
252 HG21 THR 36 3HG2 THR 36 4.822 13.127 -3.664
253 HG22 THR 36 1HG2 THR 36 4.191 12.471 -2.154
254 HG23 THR 36 2HG2 THR 36 5.403 11.573 -3.067
255 H GLY 37 H GLY 37 8.352 12.200 0.228
256 HA2 GLY 37 1HA GLY 37 9.507 14.588 0.888
257 HA3 GLY 37 2HA GLY 37 10.093 13.041 1.482
258 H GLU 38 H GLU 38 11.768 11.959 0.292
259 HA GLU 38 HA GLU 38 13.279 13.725 -1.512
260 HB2 GLU 38 1HB GLU 38 14.167 12.374 0.985
261 HB3 GLU 38 2HB GLU 38 15.305 12.428 -0.354
262 HG2 GLU 38 1HG GLU 38 14.800 14.943 -0.416
263 HG3 GLU 38 2HG GLU 38 14.112 14.697 1.188
264 H LYS 39 H LYS 39 14.920 12.536 -2.810
265 HA LYS 39 HA LYS 39 13.753 10.451 -4.252
266 HB2 LYS 39 1HB LYS 39 16.512 11.597 -4.101
267 HB3 LYS 39 2HB LYS 39 16.256 10.108 -5.001
268 HG2 LYS 39 1HG LYS 39 14.507 11.288 -6.323
269 HG3 LYS 39 2HG LYS 39 14.965 12.780 -5.500
270 HD2 LYS 39 1HD LYS 39 16.989 12.911 -6.576
271 HD3 LYS 39 2HD LYS 39 17.094 11.165 -6.818
272 HE2 LYS 39 1HE LYS 39 15.100 11.476 -8.409
273 HE3 LYS 39 2HE LYS 39 15.508 13.191 -8.363
274 HZ1 LYS 39 3HZ LYS 39 16.955 10.969 -9.581
275 HZ2 LYS 39 1HZ LYS 39 17.885 12.204 -8.893
276 HZ3 LYS 39 2HZ LYS 39 16.773 12.564 -10.115
277 HA PRO 40 HA PRO 40 14.586 6.803 -1.949
278 HB2 PRO 40 1HB PRO 40 14.795 4.992 -3.961
279 HB3 PRO 40 2HB PRO 40 13.255 5.702 -3.464
280 HG2 PRO 40 1HG PRO 40 15.029 6.442 -5.759
281 HG3 PRO 40 2HG PRO 40 13.263 6.286 -5.715
282 HD2 PRO 40 1HD PRO 40 14.518 8.682 -5.591
283 HD3 PRO 40 2HD PRO 40 12.978 8.367 -4.767
284 H SER 41 H SER 41 16.888 8.361 -3.714
285 HA SER 41 HA SER 41 19.156 8.245 -3.838
286 HB2 SER 41 1HB SER 41 18.721 6.294 -1.569
287 HB3 SER 41 2HB SER 41 20.316 6.829 -2.099
288 HG SER 41 HG SER 41 19.139 9.038 -1.795
289 H GLY 42 H GLY 42 17.953 6.913 -5.820
290 HA2 GLY 42 1HA GLY 42 18.332 4.224 -6.201
291 HA3 GLY 42 2HA GLY 42 18.473 5.413 -7.487
292 HA PRO 43 HA PRO 43 22.600 3.271 -6.445
293 HB2 PRO 43 1HB PRO 43 22.718 1.579 -8.565
294 HB3 PRO 43 2HB PRO 43 22.001 1.127 -7.014
295 HG2 PRO 43 1HG PRO 43 20.656 2.031 -9.532
296 HG3 PRO 43 2HG PRO 43 20.200 0.720 -8.428
297 HD2 PRO 43 1HD PRO 43 18.993 3.143 -8.389
298 HD3 PRO 43 2HD PRO 43 19.208 2.160 -6.927
299 H SER 44 H SER 44 21.055 4.642 -9.239
300 HA SER 44 HA SER 44 23.321 4.970 -10.886
301 HB2 SER 44 1HB SER 44 20.743 6.548 -10.740
302 HB3 SER 44 2HB SER 44 21.950 6.739 -12.011
303 HG SER 44 HG SER 44 20.287 4.535 -11.456
304 H SER 45 H SER 45 21.685 7.300 -8.739
305 HA SER 45 HA SER 45 23.989 9.078 -8.907
306 HB2 SER 45 1HB SER 45 21.923 10.233 -9.093
307 HB3 SER 45 2HB SER 45 21.230 9.371 -7.719
308 HG SER 45 HG SER 45 21.856 11.102 -6.686
309 H GLY 46 H GLY 46 25.507 7.813 -7.751
310 HA2 GLY 46 1HA GLY 46 24.955 7.042 -5.021
311 HA3 GLY 46 2HA GLY 46 26.480 6.852 -5.874
Start of MODEL 15
1 H1 GLY 1 H GLY 1 4.752 -32.682 0.463
2 HA2 GLY 1 1HA GLY 1 5.053 -30.041 0.214
3 HA3 GLY 1 2HA GLY 1 5.347 -31.111 -1.149
4 H SER 2 H SER 2 3.244 -28.750 0.239
5 HA SER 2 HA SER 2 1.864 -28.508 -2.321
6 HB2 SER 2 1HB SER 2 -0.344 -28.368 -1.240
7 HB3 SER 2 2HB SER 2 0.398 -29.945 -0.971
8 HG SER 2 HG SER 2 -0.582 -28.818 0.907
9 H SER 3 H SER 3 2.070 -26.470 -2.933
10 HA SER 3 HA SER 3 3.030 -24.395 -1.351
11 HB2 SER 3 1HB SER 3 3.155 -24.295 -3.774
12 HB3 SER 3 2HB SER 3 1.396 -24.261 -3.897
13 HG SER 3 HG SER 3 3.038 -22.212 -3.651
14 H GLY 4 H GLY 4 2.130 -22.918 -0.030
15 HA2 GLY 4 1HA GLY 4 -0.674 -22.287 -0.107
16 HA3 GLY 4 2HA GLY 4 -0.240 -23.288 1.271
17 H SER 5 H SER 5 -0.828 -20.222 0.428
18 HA SER 5 HA SER 5 1.333 -18.878 1.762
19 HB2 SER 5 1HB SER 5 -1.376 -17.815 0.926
20 HB3 SER 5 2HB SER 5 0.017 -16.844 1.402
21 HG SER 5 HG SER 5 -0.360 -17.187 -0.936
22 H SER 6 H SER 6 1.252 -17.782 3.741
23 HA SER 6 HA SER 6 -0.282 -19.104 5.764
24 HB2 SER 6 1HB SER 6 2.113 -18.107 5.930
25 HB3 SER 6 2HB SER 6 1.284 -16.580 6.231
26 HG SER 6 HG SER 6 1.377 -17.335 8.218
27 H GLY 7 H GLY 7 -2.446 -18.632 5.198
28 HA2 GLY 7 1HA GLY 7 -4.375 -17.477 5.831
29 HA3 GLY 7 2HA GLY 7 -3.374 -16.112 6.303
30 H THR 8 H THR 8 -5.835 -16.145 4.729
31 HA THR 8 HA THR 8 -4.909 -15.356 2.068
32 HB THR 8 HB THR 8 -7.349 -15.192 1.530
33 HG1 THR 8 HG1 THR 8 -8.658 -16.393 3.207
34 HG21 THR 8 3HG2 THR 8 -7.503 -17.872 2.351
35 HG22 THR 8 1HG2 THR 8 -5.792 -17.551 2.071
36 HG23 THR 8 2HG2 THR 8 -6.966 -17.259 0.787
37 H GLY 9 H GLY 9 -5.782 -13.359 1.108
38 HA2 GLY 9 1HA GLY 9 -7.060 -11.291 2.339
39 HA3 GLY 9 2HA GLY 9 -5.404 -11.148 2.911
40 H GLU 10 H GLU 10 -7.483 -9.993 0.693
41 HA GLU 10 HA GLU 10 -5.294 -9.256 -1.123
42 HB2 GLU 10 1HB GLU 10 -8.028 -10.273 -1.870
43 HB3 GLU 10 2HB GLU 10 -7.063 -9.308 -2.978
44 HG2 GLU 10 1HG GLU 10 -5.249 -10.999 -2.764
45 HG3 GLU 10 2HG GLU 10 -6.359 -11.992 -1.820
46 H LYS 11 H LYS 11 -5.058 -7.131 -1.176
47 HA LYS 11 HA LYS 11 -7.186 -5.405 -0.212
48 HB2 LYS 11 1HB LYS 11 -4.411 -4.652 -1.145
49 HB3 LYS 11 2HB LYS 11 -5.523 -3.645 -0.227
50 HG2 LYS 11 1HG LYS 11 -4.396 -6.240 0.794
51 HG3 LYS 11 2HG LYS 11 -3.669 -4.661 1.101
52 HD2 LYS 11 1HD LYS 11 -6.558 -5.037 1.717
53 HD3 LYS 11 2HD LYS 11 -5.366 -5.753 2.805
54 HE2 LYS 11 1HE LYS 11 -4.277 -3.379 2.691
55 HE3 LYS 11 2HE LYS 11 -5.889 -2.880 2.180
56 HZ1 LYS 11 3HZ LYS 11 -6.814 -3.642 4.196
57 HZ2 LYS 11 1HZ LYS 11 -5.439 -2.756 4.626
58 HZ3 LYS 11 2HZ LYS 11 -5.396 -4.446 4.646
59 HA PRO 12 HA PRO 12 -8.661 -4.217 -4.185
60 HB2 PRO 12 1HB PRO 12 -9.722 -1.801 -3.549
61 HB3 PRO 12 2HB PRO 12 -10.472 -3.333 -3.083
62 HG2 PRO 12 1HG PRO 12 -8.754 -1.495 -1.461
63 HG3 PRO 12 2HG PRO 12 -10.238 -2.343 -0.992
64 HD2 PRO 12 1HD PRO 12 -7.773 -3.232 -0.307
65 HD3 PRO 12 2HD PRO 12 -9.133 -4.331 -0.617
66 H TYR 13 H TYR 13 -6.448 -2.208 -2.388
67 HA TYR 13 HA TYR 13 -5.356 -1.203 -4.907
68 HB2 TYR 13 1HB TYR 13 -5.943 0.610 -2.558
69 HB3 TYR 13 2HB TYR 13 -5.224 1.082 -4.094
70 HD1 TYR 13 HD2 TYR 13 -6.599 1.190 -6.128
71 HD2 TYR 13 HD1 TYR 13 -8.316 0.272 -2.345
72 HE1 TYR 13 HE2 TYR 13 -8.836 1.664 -7.034
73 HE2 TYR 13 HE1 TYR 13 -10.557 0.741 -3.241
74 HH TYR 13 HH TYR 13 -11.003 2.012 -6.501
75 H LYS 14 H LYS 14 -3.196 -1.250 -4.951
76 HA LYS 14 HA LYS 14 -1.750 -1.470 -2.395
77 HB2 LYS 14 1HB LYS 14 -1.972 -3.668 -3.593
78 HB3 LYS 14 2HB LYS 14 -1.046 -2.976 -4.918
79 HG2 LYS 14 1HG LYS 14 0.770 -2.511 -3.203
80 HG3 LYS 14 2HG LYS 14 -0.137 -3.572 -2.122
81 HD2 LYS 14 1HD LYS 14 1.418 -4.997 -3.121
82 HD3 LYS 14 2HD LYS 14 -0.055 -5.267 -4.055
83 HE2 LYS 14 1HE LYS 14 1.689 -5.071 -5.634
84 HE3 LYS 14 2HE LYS 14 0.818 -3.539 -5.682
85 HZ1 LYS 14 3HZ LYS 14 2.944 -2.784 -5.566
86 HZ2 LYS 14 1HZ LYS 14 3.509 -4.119 -4.693
87 HZ3 LYS 14 2HZ LYS 14 2.631 -2.904 -3.908
88 H CYS 15 H CYS 15 0.360 -0.615 -2.352
89 HA CYS 15 HA CYS 15 0.728 1.679 -4.011
90 HB2 CYS 15 1HB CYS 15 1.421 1.685 -1.663
91 HB3 CYS 15 2HB CYS 15 2.583 0.403 -1.990
92 H GLU 16 H GLU 16 1.941 1.937 -5.789
93 HA GLU 16 HA GLU 16 3.182 -0.422 -6.944
94 HB2 GLU 16 1HB GLU 16 1.679 1.366 -8.138
95 HB3 GLU 16 2HB GLU 16 3.183 2.267 -8.261
96 HG2 GLU 16 1HG GLU 16 4.122 0.067 -9.261
97 HG3 GLU 16 2HG GLU 16 2.424 -0.325 -9.529
98 H GLU 17 H GLU 17 4.098 2.495 -5.348
99 HA GLU 17 HA GLU 17 6.739 2.725 -6.346
100 HB2 GLU 17 1HB GLU 17 5.400 3.724 -3.839
101 HB3 GLU 17 2HB GLU 17 7.094 4.043 -4.184
102 HG2 GLU 17 1HG GLU 17 5.526 5.876 -4.811
103 HG3 GLU 17 2HG GLU 17 6.555 5.298 -6.120
104 H CYS 18 H CYS 18 5.425 1.248 -3.390
105 HA CYS 18 HA CYS 18 7.821 -0.444 -3.266
106 HB2 CYS 18 1HB CYS 18 8.014 -0.155 -0.880
107 HB3 CYS 18 2HB CYS 18 8.026 1.436 -1.634
108 H GLY 19 H GLY 19 4.459 0.077 -2.341
109 HA2 GLY 19 1HA GLY 19 2.801 -1.608 -2.529
110 HA3 GLY 19 2HA GLY 19 4.062 -2.826 -2.409
111 H LYS 20 H LYS 20 1.742 -0.974 -0.723
112 HA LYS 20 HA LYS 20 2.669 -2.122 1.829
113 HB2 LYS 20 1HB LYS 20 1.611 0.575 1.155
114 HB3 LYS 20 2HB LYS 20 1.130 -0.117 2.699
115 HG2 LYS 20 1HG LYS 20 3.686 -0.550 2.979
116 HG3 LYS 20 2HG LYS 20 3.833 0.710 1.751
117 HD2 LYS 20 1HD LYS 20 2.257 2.073 3.257
118 HD3 LYS 20 2HD LYS 20 2.656 0.893 4.507
119 HE2 LYS 20 1HE LYS 20 4.808 2.296 2.962
120 HE3 LYS 20 2HE LYS 20 4.045 3.064 4.354
121 HZ1 LYS 20 3HZ LYS 20 6.168 1.661 4.685
122 HZ2 LYS 20 1HZ LYS 20 5.122 0.335 4.593
123 HZ3 LYS 20 2HZ LYS 20 4.900 1.505 5.794
124 H GLY 21 H GLY 21 -0.122 -1.269 -0.163
125 HA2 GLY 21 1HA GLY 21 -2.052 -2.586 -0.405
126 HA3 GLY 21 2HA GLY 21 -1.602 -3.473 1.044
127 H PHE 22 H PHE 22 -3.871 -1.490 -0.157
128 HA PHE 22 HA PHE 22 -4.681 -0.632 2.514
129 HB2 PHE 22 1HB PHE 22 -4.776 1.293 0.191
130 HB3 PHE 22 2HB PHE 22 -5.091 1.633 1.890
131 HD1 PHE 22 HD1 PHE 22 -2.457 0.817 -0.560
132 HD2 PHE 22 HD2 PHE 22 -3.338 2.170 3.379
133 HE1 PHE 22 HE1 PHE 22 -0.104 1.468 -0.261
134 HE2 PHE 22 HE2 PHE 22 -0.986 2.824 3.684
135 HZ PHE 22 HZ PHE 22 0.635 2.474 1.862
136 H ILE 23 H ILE 23 -6.971 0.296 2.428
137 HA ILE 23 HA ILE 23 -8.563 -1.447 0.687
138 HB ILE 23 HB ILE 23 -9.406 0.047 3.174
139 HG12 ILE 23 1HG1 ILE 23 -7.756 -1.832 3.506
140 HG13 ILE 23 2HG1 ILE 23 -9.297 -2.045 4.330
141 HG21 ILE 23 1HG2 ILE 23 -10.849 -1.912 1.403
142 HG22 ILE 23 2HG2 ILE 23 -11.388 -1.491 3.028
143 HG23 ILE 23 3HG2 ILE 23 -11.305 -0.250 1.778
144 HD11 ILE 23 3HD1 ILE 23 -8.527 -3.323 1.717
145 HD12 ILE 23 1HD1 ILE 23 -8.502 -4.109 3.295
146 HD13 ILE 23 2HD1 ILE 23 -10.032 -3.573 2.601
147 H CYS 24 H CYS 24 -8.651 1.872 1.990
148 HA CYS 24 HA CYS 24 -10.595 2.728 0.066
149 HB2 CYS 24 1HB CYS 24 -10.038 3.660 2.469
150 HB3 CYS 24 2HB CYS 24 -8.891 4.660 1.587
151 HG CYS 24 HG CYS 24 -11.334 6.034 2.172
152 H ARG 25 H ARG 25 -10.137 4.722 -1.294
153 HA ARG 25 HA ARG 25 -7.792 4.157 -2.919
154 HB2 ARG 25 1HB ARG 25 -10.273 4.672 -3.692
155 HB3 ARG 25 2HB ARG 25 -9.718 6.337 -3.585
156 HG2 ARG 25 1HG ARG 25 -7.869 5.786 -5.123
157 HG3 ARG 25 2HG ARG 25 -8.522 4.154 -5.277
158 HD2 ARG 25 1HD ARG 25 -9.229 5.532 -7.148
159 HD3 ARG 25 2HD ARG 25 -10.614 5.083 -6.153
160 HE ARG 25 HE ARG 25 -9.523 7.736 -6.535
161 HH11 ARG 25 1HH1 ARG 25 -11.585 5.675 -4.633
162 HH12 ARG 25 2HH1 ARG 25 -12.513 6.985 -3.982
163 HH21 ARG 25 1HH2 ARG 25 -10.738 9.469 -5.685
164 HH22 ARG 25 2HH2 ARG 25 -12.032 9.143 -4.582
165 H ARG 26 H ARG 26 -9.226 6.898 -1.177
166 HA ARG 26 HA ARG 26 -7.297 8.815 -1.795
167 HB2 ARG 26 1HB ARG 26 -9.184 8.453 0.509
168 HB3 ARG 26 2HB ARG 26 -8.011 9.762 0.527
169 HG2 ARG 26 1HG ARG 26 -8.975 10.325 -1.811
170 HG3 ARG 26 2HG ARG 26 -10.343 9.341 -1.287
171 HD2 ARG 26 1HD ARG 26 -10.789 10.771 0.545
172 HD3 ARG 26 2HD ARG 26 -9.247 11.607 0.358
173 HE ARG 26 HE ARG 26 -10.206 12.941 -1.233
174 HH11 ARG 26 1HH1 ARG 26 -12.225 10.152 -0.721
175 HH12 ARG 26 2HH1 ARG 26 -13.521 10.747 -1.704
176 HH21 ARG 26 1HH2 ARG 26 -11.905 13.735 -2.531
177 HH22 ARG 26 2HH2 ARG 26 -13.338 12.785 -2.734
178 H ASP 27 H ASP 27 -7.477 6.638 1.016
179 HA ASP 27 HA ASP 27 -5.283 7.403 2.438
180 HB2 ASP 27 1HB ASP 27 -5.351 5.340 3.486
181 HB3 ASP 27 2HB ASP 27 -6.960 5.413 2.774
182 H LEU 28 H LEU 28 -5.280 5.162 -0.324
183 HA LEU 28 HA LEU 28 -2.639 4.457 -0.417
184 HB2 LEU 28 1HB LEU 28 -4.198 3.510 -1.952
185 HB3 LEU 28 2HB LEU 28 -4.530 5.084 -2.673
186 HG LEU 28 HG LEU 28 -2.240 5.116 -3.589
187 HD11 LEU 28 1HD1 LEU 28 -1.324 2.578 -3.564
188 HD12 LEU 28 2HD1 LEU 28 -2.029 2.683 -1.952
189 HD13 LEU 28 3HD1 LEU 28 -0.788 3.834 -2.448
190 HD21 LEU 28 3HD2 LEU 28 -2.717 2.839 -4.976
191 HD22 LEU 28 1HD2 LEU 28 -3.518 4.380 -5.285
192 HD23 LEU 28 2HD2 LEU 28 -4.313 3.156 -4.294
193 H TYR 29 H TYR 29 -3.971 7.132 -2.368
194 HA TYR 29 HA TYR 29 -1.645 8.240 -3.263
195 HB2 TYR 29 1HB TYR 29 -4.132 9.709 -2.364
196 HB3 TYR 29 2HB TYR 29 -2.857 10.409 -3.355
197 HD1 TYR 29 HD2 TYR 29 -2.245 8.568 -5.387
198 HD2 TYR 29 HD1 TYR 29 -6.033 9.279 -3.586
199 HE1 TYR 29 HE2 TYR 29 -3.359 7.736 -7.416
200 HE2 TYR 29 HE1 TYR 29 -7.158 8.449 -5.609
201 HH TYR 29 HH TYR 29 -6.410 8.301 -8.201
202 H THR 30 H THR 30 -3.284 9.050 -0.209
203 HA THR 30 HA THR 30 -1.700 11.003 0.802
204 HB THR 30 HB THR 30 -2.672 8.632 2.408
205 HG1 THR 30 HG1 THR 30 -4.402 10.369 2.797
206 HG21 THR 30 3HG2 THR 30 -1.815 11.418 3.162
207 HG22 THR 30 1HG2 THR 30 -1.188 9.883 3.763
208 HG23 THR 30 2HG2 THR 30 -2.809 10.412 4.216
209 H HIS 31 H HIS 31 -1.016 7.518 0.992
210 HA HIS 31 HA HIS 31 1.334 7.612 2.453
211 HB2 HIS 31 1HB HIS 31 0.431 5.475 2.057
212 HB3 HIS 31 2HB HIS 31 0.360 5.730 0.316
213 HD1 HIS 31 HD1 HIS 31 3.226 5.823 2.832
214 HD2 HIS 31 HD2 HIS 31 2.212 4.151 -0.834
215 HE1 HIS 31 HE1 HIS 31 5.240 4.497 2.118
216 H HIS 32 H HIS 32 0.900 7.873 -1.061
217 HA HIS 32 HA HIS 32 3.434 7.896 -2.001
218 HB2 HIS 32 1HB HIS 32 1.307 8.324 -3.306
219 HB3 HIS 32 2HB HIS 32 1.431 10.008 -2.806
220 HD1 HIS 32 HD1 HIS 32 3.486 11.364 -3.756
221 HD2 HIS 32 HD2 HIS 32 2.937 7.590 -5.406
222 HE1 HIS 32 HE1 HIS 32 4.883 11.334 -5.847
223 H MET 33 H MET 33 2.026 10.230 0.126
224 HA MET 33 HA MET 33 3.626 12.454 -0.281
225 HB2 MET 33 1HB MET 33 2.413 11.331 2.242
226 HB3 MET 33 2HB MET 33 3.258 12.873 2.202
227 HG2 MET 33 1HG MET 33 1.654 13.824 0.755
228 HG3 MET 33 2HG MET 33 0.927 12.255 0.416
229 HE1 MET 33 3HE MET 33 -1.448 14.741 2.130
230 HE2 MET 33 1HE MET 33 -0.876 14.011 0.629
231 HE3 MET 33 2HE MET 33 -1.983 13.122 1.676
232 H VAL 34 H VAL 34 4.253 9.605 1.741
233 HA VAL 34 HA VAL 34 6.766 10.519 2.704
234 HB VAL 34 HB VAL 34 7.122 8.101 3.318
235 HG11 VAL 34 1HG1 VAL 34 4.827 9.770 4.204
236 HG12 VAL 34 2HG1 VAL 34 4.956 8.125 4.828
237 HG13 VAL 34 3HG1 VAL 34 6.271 9.273 5.086
238 HG21 VAL 34 3HG2 VAL 34 5.690 6.449 2.723
239 HG22 VAL 34 1HG2 VAL 34 4.287 7.518 2.722
240 HG23 VAL 34 2HG2 VAL 34 5.397 7.516 1.350
241 H HIS 35 H HIS 35 5.745 9.083 -0.240
242 HA HIS 35 HA HIS 35 8.345 8.042 -0.953
243 HB2 HIS 35 1HB HIS 35 5.649 8.118 -2.214
244 HB3 HIS 35 2HB HIS 35 7.040 7.957 -3.281
245 HD1 HIS 35 HD1 HIS 35 8.764 5.923 -2.336
246 HD2 HIS 35 HD2 HIS 35 4.713 5.714 -1.441
247 HE1 HIS 35 HE1 HIS 35 8.326 3.515 -1.761
248 H THR 36 H THR 36 6.510 10.959 -1.418
249 HA THR 36 HA THR 36 8.645 12.011 -3.158
250 HB THR 36 HB THR 36 6.396 11.967 -4.211
251 HG1 THR 36 HG1 THR 36 6.966 14.684 -3.788
252 HG21 THR 36 3HG2 THR 36 4.799 13.778 -3.367
253 HG22 THR 36 1HG2 THR 36 5.725 13.728 -1.867
254 HG23 THR 36 2HG2 THR 36 4.887 12.284 -2.435
255 H GLY 37 H GLY 37 8.488 11.887 -0.166
256 HA2 GLY 37 1HA GLY 37 9.482 14.515 0.337
257 HA3 GLY 37 2HA GLY 37 7.885 14.296 1.035
258 H GLU 38 H GLU 38 11.030 12.626 0.865
259 HA GLU 38 HA GLU 38 11.092 12.401 3.743
260 HB2 GLU 38 1HB GLU 38 9.737 10.455 3.167
261 HB3 GLU 38 2HB GLU 38 10.954 9.926 2.013
262 HG2 GLU 38 1HG GLU 38 12.538 9.899 4.051
263 HG3 GLU 38 2HG GLU 38 11.052 9.906 4.999
264 H LYS 39 H LYS 39 13.123 12.624 4.415
265 HA LYS 39 HA LYS 39 15.269 13.160 2.795
266 HB2 LYS 39 1HB LYS 39 15.275 13.678 5.169
267 HB3 LYS 39 2HB LYS 39 15.291 11.966 5.572
268 HG2 LYS 39 1HG LYS 39 17.496 12.417 5.830
269 HG3 LYS 39 2HG LYS 39 17.498 12.022 4.109
270 HD2 LYS 39 1HD LYS 39 17.057 14.566 3.795
271 HD3 LYS 39 2HD LYS 39 17.678 14.696 5.442
272 HE2 LYS 39 1HE LYS 39 19.794 14.058 4.839
273 HE3 LYS 39 2HE LYS 39 19.232 13.104 3.468
274 HZ1 LYS 39 3HZ LYS 39 18.804 15.979 3.313
275 HZ2 LYS 39 1HZ LYS 39 19.251 14.884 2.104
276 HZ3 LYS 39 2HZ LYS 39 20.408 15.454 3.198
277 HA PRO 40 HA PRO 40 16.493 9.296 1.057
278 HB2 PRO 40 1HB PRO 40 19.019 9.974 0.329
279 HB3 PRO 40 2HB PRO 40 17.585 10.539 -0.538
280 HG2 PRO 40 1HG PRO 40 19.239 11.958 1.514
281 HG3 PRO 40 2HG PRO 40 18.566 12.579 -0.004
282 HD2 PRO 40 1HD PRO 40 17.417 13.056 2.401
283 HD3 PRO 40 2HD PRO 40 16.472 12.894 0.907
284 H SER 41 H SER 41 18.097 7.596 1.320
285 HA SER 41 HA SER 41 18.716 7.110 4.037
286 HB2 SER 41 1HB SER 41 18.244 5.314 2.393
287 HB3 SER 41 2HB SER 41 19.770 5.676 1.586
288 HG SER 41 HG SER 41 19.845 3.919 3.139
289 H GLY 42 H GLY 42 20.711 8.013 1.246
290 HA2 GLY 42 1HA GLY 42 22.708 9.090 3.083
291 HA3 GLY 42 2HA GLY 42 23.244 7.821 1.992
292 HA PRO 43 HA PRO 43 23.015 12.206 -0.001
293 HB2 PRO 43 1HB PRO 43 25.449 13.222 0.642
294 HB3 PRO 43 2HB PRO 43 24.002 13.504 1.617
295 HG2 PRO 43 1HG PRO 43 26.213 11.531 2.037
296 HG3 PRO 43 2HG PRO 43 25.396 12.564 3.223
297 HD2 PRO 43 1HD PRO 43 24.794 9.942 2.916
298 HD3 PRO 43 2HD PRO 43 23.584 11.150 3.395
299 H SER 44 H SER 44 23.142 10.809 -1.838
300 HA SER 44 HA SER 44 25.437 9.472 -2.704
301 HB2 SER 44 1HB SER 44 23.245 9.030 -3.678
302 HB3 SER 44 2HB SER 44 23.187 10.661 -4.345
303 HG SER 44 HG SER 44 25.362 9.820 -5.304
304 H SER 45 H SER 45 27.335 10.199 -3.373
305 HA SER 45 HA SER 45 27.584 13.013 -4.147
306 HB2 SER 45 1HB SER 45 29.538 10.951 -3.157
307 HB3 SER 45 2HB SER 45 30.102 12.417 -3.957
308 HG SER 45 HG SER 45 29.973 12.663 -1.681
309 H GLY 46 H GLY 46 27.341 13.361 -6.260
310 HA2 GLY 46 1HA GLY 46 28.206 11.331 -8.178
311 HA3 GLY 46 2HA GLY 46 27.228 12.747 -8.535
Start of MODEL 16
1 H1 GLY 1 H GLY 1 5.041 -2.991 6.174
2 HA2 GLY 1 1HA GLY 1 7.744 -2.270 6.321
3 HA3 GLY 1 2HA GLY 1 6.795 -0.919 6.924
4 H SER 2 H SER 2 5.967 -0.997 8.948
5 HA SER 2 HA SER 2 7.052 -2.720 10.838
6 HB2 SER 2 1HB SER 2 6.161 -0.622 11.564
7 HB3 SER 2 2HB SER 2 4.562 -1.009 10.929
8 HG SER 2 HG SER 2 4.134 -1.981 12.732
9 H SER 3 H SER 3 6.485 -4.643 11.693
10 HA SER 3 HA SER 3 5.207 -6.601 10.414
11 HB2 SER 3 1HB SER 3 6.324 -6.580 12.780
12 HB3 SER 3 2HB SER 3 4.669 -6.393 13.360
13 HG SER 3 HG SER 3 4.140 -8.320 12.275
14 H GLY 4 H GLY 4 3.303 -6.651 9.422
15 HA2 GLY 4 1HA GLY 4 0.849 -6.642 10.704
16 HA3 GLY 4 2HA GLY 4 1.109 -4.993 10.153
17 H SER 5 H SER 5 0.935 -8.354 9.066
18 HA SER 5 HA SER 5 0.284 -7.385 6.365
19 HB2 SER 5 1HB SER 5 2.216 -9.098 6.888
20 HB3 SER 5 2HB SER 5 0.891 -10.261 6.939
21 HG SER 5 HG SER 5 2.036 -9.739 4.827
22 H SER 6 H SER 6 -1.178 -9.108 5.189
23 HA SER 6 HA SER 6 -3.588 -9.328 6.833
24 HB2 SER 6 1HB SER 6 -4.718 -9.738 4.620
25 HB3 SER 6 2HB SER 6 -3.927 -8.168 4.755
26 HG SER 6 HG SER 6 -2.713 -8.704 3.138
27 H GLY 7 H GLY 7 -5.017 -11.268 6.327
28 HA2 GLY 7 1HA GLY 7 -3.358 -13.665 6.607
29 HA3 GLY 7 2HA GLY 7 -5.058 -13.527 7.034
30 H THR 8 H THR 8 -6.383 -12.812 4.918
31 HA THR 8 HA THR 8 -5.575 -14.667 2.773
32 HB THR 8 HB THR 8 -7.961 -15.152 2.379
33 HG1 THR 8 HG1 THR 8 -9.481 -14.122 3.457
34 HG21 THR 8 3HG2 THR 8 -8.174 -16.037 5.009
35 HG22 THR 8 1HG2 THR 8 -6.438 -15.931 4.717
36 HG23 THR 8 2HG2 THR 8 -7.453 -16.911 3.658
37 H GLY 9 H GLY 9 -6.753 -14.200 0.675
38 HA2 GLY 9 1HA GLY 9 -7.093 -12.760 -1.080
39 HA3 GLY 9 2HA GLY 9 -7.941 -11.752 0.083
40 H GLU 10 H GLU 10 -7.184 -9.851 -0.894
41 HA GLU 10 HA GLU 10 -4.721 -8.887 0.147
42 HB2 GLU 10 1HB GLU 10 -3.609 -8.417 -2.010
43 HB3 GLU 10 2HB GLU 10 -3.752 -10.138 -1.685
44 HG2 GLU 10 1HG GLU 10 -5.478 -10.398 -3.265
45 HG3 GLU 10 2HG GLU 10 -5.718 -8.657 -3.400
46 H LYS 11 H LYS 11 -4.700 -6.692 0.226
47 HA LYS 11 HA LYS 11 -6.974 -5.206 0.034
48 HB2 LYS 11 1HB LYS 11 -4.184 -4.166 -0.494
49 HB3 LYS 11 2HB LYS 11 -5.567 -3.211 0.023
50 HG2 LYS 11 1HG LYS 11 -4.388 -5.461 1.635
51 HG3 LYS 11 2HG LYS 11 -3.945 -3.763 1.830
52 HD2 LYS 11 1HD LYS 11 -5.576 -3.891 3.416
53 HD3 LYS 11 2HD LYS 11 -6.581 -3.495 2.020
54 HE2 LYS 11 1HE LYS 11 -7.745 -5.286 2.810
55 HE3 LYS 11 2HE LYS 11 -6.607 -6.133 1.764
56 HZ1 LYS 11 3HZ LYS 11 -6.442 -5.807 4.707
57 HZ2 LYS 11 1HZ LYS 11 -5.175 -6.414 3.764
58 HZ3 LYS 11 2HZ LYS 11 -6.645 -7.246 3.841
59 HA PRO 12 HA PRO 12 -7.873 -4.650 -4.240
60 HB2 PRO 12 1HB PRO 12 -9.362 -2.386 -4.075
61 HB3 PRO 12 2HB PRO 12 -9.958 -3.968 -3.558
62 HG2 PRO 12 1HG PRO 12 -8.833 -1.736 -1.910
63 HG3 PRO 12 2HG PRO 12 -10.242 -2.763 -1.589
64 HD2 PRO 12 1HD PRO 12 -7.838 -3.179 -0.415
65 HD3 PRO 12 2HD PRO 12 -8.951 -4.505 -0.807
66 H TYR 13 H TYR 13 -6.658 -1.876 -2.402
67 HA TYR 13 HA TYR 13 -5.312 -0.939 -4.852
68 HB2 TYR 13 1HB TYR 13 -6.153 0.805 -2.534
69 HB3 TYR 13 2HB TYR 13 -5.534 1.328 -4.096
70 HD1 TYR 13 HD2 TYR 13 -6.957 0.831 -6.163
71 HD2 TYR 13 HD1 TYR 13 -8.455 0.550 -2.190
72 HE1 TYR 13 HE2 TYR 13 -9.255 0.991 -7.024
73 HE2 TYR 13 HE1 TYR 13 -10.758 0.708 -3.041
74 HH TYR 13 HH TYR 13 -11.960 0.235 -5.196
75 H LYS 14 H LYS 14 -3.196 -1.223 -4.770
76 HA LYS 14 HA LYS 14 -1.824 -0.901 -2.184
77 HB2 LYS 14 1HB LYS 14 -2.048 -3.308 -3.028
78 HB3 LYS 14 2HB LYS 14 -0.931 -2.846 -4.306
79 HG2 LYS 14 1HG LYS 14 0.806 -2.411 -2.752
80 HG3 LYS 14 2HG LYS 14 -0.302 -2.534 -1.383
81 HD2 LYS 14 1HD LYS 14 0.706 -4.601 -1.322
82 HD3 LYS 14 2HD LYS 14 -0.708 -4.947 -2.320
83 HE2 LYS 14 1HE LYS 14 0.544 -4.999 -4.285
84 HE3 LYS 14 2HE LYS 14 1.886 -4.112 -3.565
85 HZ1 LYS 14 3HZ LYS 14 2.588 -6.331 -3.727
86 HZ2 LYS 14 1HZ LYS 14 1.128 -6.940 -3.125
87 HZ3 LYS 14 2HZ LYS 14 2.192 -6.120 -2.096
88 H CYS 15 H CYS 15 0.329 -0.106 -2.280
89 HA CYS 15 HA CYS 15 0.727 1.901 -4.243
90 HB2 CYS 15 1HB CYS 15 1.574 2.223 -2.003
91 HB3 CYS 15 2HB CYS 15 2.578 0.782 -2.130
92 H GLU 16 H GLU 16 2.352 2.080 -5.825
93 HA GLU 16 HA GLU 16 3.177 -0.504 -6.933
94 HB2 GLU 16 1HB GLU 16 3.539 0.707 -9.025
95 HB3 GLU 16 2HB GLU 16 1.913 0.982 -8.415
96 HG2 GLU 16 1HG GLU 16 2.744 3.137 -7.444
97 HG3 GLU 16 2HG GLU 16 4.251 2.867 -8.318
98 H GLU 17 H GLU 17 4.436 2.462 -5.618
99 HA GLU 17 HA GLU 17 7.090 2.247 -6.547
100 HB2 GLU 17 1HB GLU 17 5.734 3.723 -4.334
101 HB3 GLU 17 2HB GLU 17 7.490 3.623 -4.323
102 HG2 GLU 17 1HG GLU 17 7.284 4.441 -6.781
103 HG3 GLU 17 2HG GLU 17 5.684 4.977 -6.271
104 H CYS 18 H CYS 18 5.515 1.119 -3.579
105 HA CYS 18 HA CYS 18 7.748 -0.748 -3.194
106 HB2 CYS 18 1HB CYS 18 7.739 -0.347 -0.789
107 HB3 CYS 18 2HB CYS 18 8.065 1.152 -1.653
108 H GLY 19 H GLY 19 4.392 0.098 -2.518
109 HA2 GLY 19 1HA GLY 19 2.588 -1.408 -2.660
110 HA3 GLY 19 2HA GLY 19 3.722 -2.744 -2.537
111 H LYS 20 H LYS 20 1.887 -0.357 -0.765
112 HA LYS 20 HA LYS 20 2.648 -1.607 1.775
113 HB2 LYS 20 1HB LYS 20 1.553 1.045 0.991
114 HB3 LYS 20 2HB LYS 20 1.084 0.413 2.564
115 HG2 LYS 20 1HG LYS 20 3.694 0.007 2.765
116 HG3 LYS 20 2HG LYS 20 3.730 1.329 1.596
117 HD2 LYS 20 1HD LYS 20 2.512 2.760 3.087
118 HD3 LYS 20 2HD LYS 20 2.236 1.429 4.213
119 HE2 LYS 20 1HE LYS 20 4.409 1.447 4.975
120 HE3 LYS 20 2HE LYS 20 5.034 2.169 3.493
121 HZ1 LYS 20 3HZ LYS 20 5.053 4.061 4.638
122 HZ2 LYS 20 1HZ LYS 20 4.086 3.440 5.880
123 HZ3 LYS 20 2HZ LYS 20 3.368 4.073 4.486
124 H GLY 21 H GLY 21 -0.215 -0.735 -0.135
125 HA2 GLY 21 1HA GLY 21 -2.122 -2.114 -0.351
126 HA3 GLY 21 2HA GLY 21 -1.644 -2.963 1.111
127 H PHE 22 H PHE 22 -3.985 -1.098 -0.072
128 HA PHE 22 HA PHE 22 -4.718 -0.127 2.582
129 HB2 PHE 22 1HB PHE 22 -4.883 1.660 0.151
130 HB3 PHE 22 2HB PHE 22 -5.275 2.088 1.813
131 HD1 PHE 22 HD1 PHE 22 -2.555 1.372 -0.545
132 HD2 PHE 22 HD2 PHE 22 -3.569 2.661 3.383
133 HE1 PHE 22 HE1 PHE 22 -0.243 2.143 -0.204
134 HE2 PHE 22 HE2 PHE 22 -1.260 3.435 3.729
135 HZ PHE 22 HZ PHE 22 0.407 3.177 1.934
136 H ILE 23 H ILE 23 -7.032 0.675 2.586
137 HA ILE 23 HA ILE 23 -8.640 -1.209 1.034
138 HB ILE 23 HB ILE 23 -9.480 0.540 3.348
139 HG12 ILE 23 1HG1 ILE 23 -9.057 -2.430 3.486
140 HG13 ILE 23 2HG1 ILE 23 -7.702 -1.329 3.711
141 HG21 ILE 23 1HG2 ILE 23 -10.897 -1.300 1.557
142 HG22 ILE 23 2HG2 ILE 23 -11.204 -1.558 3.273
143 HG23 ILE 23 3HG2 ILE 23 -11.514 0.020 2.550
144 HD11 ILE 23 3HD1 ILE 23 -10.224 -1.394 5.350
145 HD12 ILE 23 1HD1 ILE 23 -8.642 -1.999 5.838
146 HD13 ILE 23 2HD1 ILE 23 -8.882 -0.272 5.571
147 H CYS 24 H CYS 24 -8.553 2.250 1.848
148 HA CYS 24 HA CYS 24 -10.402 2.766 -0.377
149 HB2 CYS 24 1HB CYS 24 -10.942 3.613 1.955
150 HB3 CYS 24 2HB CYS 24 -9.581 4.715 1.776
151 HG CYS 24 HG CYS 24 -12.306 4.676 -0.296
152 H ARG 25 H ARG 25 -9.726 3.775 -2.162
153 HA ARG 25 HA ARG 25 -7.102 4.073 -2.874
154 HB2 ARG 25 1HB ARG 25 -9.514 5.615 -3.832
155 HB3 ARG 25 2HB ARG 25 -7.936 5.714 -4.602
156 HG2 ARG 25 1HG ARG 25 -8.014 3.325 -5.087
157 HG3 ARG 25 2HG ARG 25 -9.590 3.216 -4.301
158 HD2 ARG 25 1HD ARG 25 -9.022 5.015 -6.648
159 HD3 ARG 25 2HD ARG 25 -9.637 3.371 -6.812
160 HE ARG 25 HE ARG 25 -11.206 5.021 -5.059
161 HH11 ARG 25 1HH1 ARG 25 -10.661 4.061 -8.361
162 HH12 ARG 25 2HH1 ARG 25 -12.267 4.457 -8.878
163 HH21 ARG 25 1HH2 ARG 25 -13.323 5.545 -5.727
164 HH22 ARG 25 2HH2 ARG 25 -13.780 5.302 -7.379
165 H ARG 26 H ARG 26 -9.215 6.534 -1.442
166 HA ARG 26 HA ARG 26 -7.604 8.752 -1.576
167 HB2 ARG 26 1HB ARG 26 -9.978 8.372 -0.516
168 HB3 ARG 26 2HB ARG 26 -9.063 8.180 0.974
169 HG2 ARG 26 1HG ARG 26 -8.688 10.577 -0.784
170 HG3 ARG 26 2HG ARG 26 -9.987 10.497 0.408
171 HD2 ARG 26 1HD ARG 26 -8.091 9.833 2.051
172 HD3 ARG 26 2HD ARG 26 -7.026 10.533 0.833
173 HE ARG 26 HE ARG 26 -9.146 12.307 1.478
174 HH11 ARG 26 1HH1 ARG 26 -6.113 11.071 2.660
175 HH12 ARG 26 2HH1 ARG 26 -5.757 12.481 3.602
176 HH21 ARG 26 1HH2 ARG 26 -8.688 14.168 2.714
177 HH22 ARG 26 2HH2 ARG 26 -7.223 14.242 3.633
178 H ASP 27 H ASP 27 -7.479 6.124 0.789
179 HA ASP 27 HA ASP 27 -5.497 7.252 2.447
180 HB2 ASP 27 1HB ASP 27 -7.001 5.296 3.004
181 HB3 ASP 27 2HB ASP 27 -5.957 4.301 1.992
182 H LEU 28 H LEU 28 -5.295 5.065 -0.334
183 HA LEU 28 HA LEU 28 -2.587 4.491 -0.277
184 HB2 LEU 28 1HB LEU 28 -3.984 3.337 -1.803
185 HB3 LEU 28 2HB LEU 28 -4.493 4.836 -2.577
186 HG LEU 28 HG LEU 28 -2.244 5.104 -3.520
187 HD11 LEU 28 1HD1 LEU 28 -0.641 4.108 -2.287
188 HD12 LEU 28 2HD1 LEU 28 -0.959 2.750 -3.365
189 HD13 LEU 28 3HD1 LEU 28 -1.700 2.798 -1.765
190 HD21 LEU 28 3HD2 LEU 28 -4.211 3.291 -4.287
191 HD22 LEU 28 1HD2 LEU 28 -2.693 2.406 -4.444
192 HD23 LEU 28 2HD2 LEU 28 -2.911 3.937 -5.291
193 H TYR 29 H TYR 29 -4.139 7.048 -2.227
194 HA TYR 29 HA TYR 29 -1.940 8.282 -3.256
195 HB2 TYR 29 1HB TYR 29 -4.367 9.708 -2.146
196 HB3 TYR 29 2HB TYR 29 -3.248 10.346 -3.346
197 HD1 TYR 29 HD2 TYR 29 -2.888 8.213 -5.235
198 HD2 TYR 29 HD1 TYR 29 -6.416 9.350 -3.147
199 HE1 TYR 29 HE2 TYR 29 -4.257 7.242 -7.032
200 HE2 TYR 29 HE1 TYR 29 -7.796 8.381 -4.938
201 HH TYR 29 HH TYR 29 -6.946 6.260 -6.969
202 H THR 30 H THR 30 -3.347 8.852 -0.048
203 HA THR 30 HA THR 30 -1.726 10.910 0.825
204 HB THR 30 HB THR 30 -2.786 8.603 2.468
205 HG1 THR 30 HG1 THR 30 -3.896 11.201 2.288
206 HG21 THR 30 3HG2 THR 30 -1.495 9.504 4.074
207 HG22 THR 30 1HG2 THR 30 -2.706 10.785 4.110
208 HG23 THR 30 2HG2 THR 30 -1.232 10.990 3.163
209 H HIS 31 H HIS 31 -1.166 7.415 1.264
210 HA HIS 31 HA HIS 31 1.212 7.441 2.602
211 HB2 HIS 31 1HB HIS 31 0.436 5.300 2.258
212 HB3 HIS 31 2HB HIS 31 0.037 5.601 0.570
213 HD1 HIS 31 HD1 HIS 31 3.063 4.989 2.766
214 HD2 HIS 31 HD2 HIS 31 1.907 4.730 -1.216
215 HE1 HIS 31 HE1 HIS 31 4.977 3.867 1.582
216 H HIS 32 H HIS 32 0.789 7.701 -0.917
217 HA HIS 32 HA HIS 32 3.295 7.683 -1.882
218 HB2 HIS 32 1HB HIS 32 1.204 8.223 -3.171
219 HB3 HIS 32 2HB HIS 32 1.340 9.879 -2.588
220 HD1 HIS 32 HD1 HIS 32 2.313 11.336 -4.314
221 HD2 HIS 32 HD2 HIS 32 3.925 7.510 -4.457
222 HE1 HIS 32 HE1 HIS 32 3.988 11.382 -6.189
223 H MET 33 H MET 33 1.893 10.244 0.073
224 HA MET 33 HA MET 33 3.560 12.343 -0.200
225 HB2 MET 33 1HB MET 33 2.401 11.113 2.283
226 HB3 MET 33 2HB MET 33 3.399 12.558 2.379
227 HG2 MET 33 1HG MET 33 0.916 12.320 0.699
228 HG3 MET 33 2HG MET 33 0.962 13.001 2.323
229 HE1 MET 33 3HE MET 33 -0.370 14.524 0.360
230 HE2 MET 33 1HE MET 33 0.129 15.648 1.624
231 HE3 MET 33 2HE MET 33 0.410 16.047 -0.071
232 H VAL 34 H VAL 34 4.277 9.483 1.795
233 HA VAL 34 HA VAL 34 6.809 10.273 2.673
234 HB VAL 34 HB VAL 34 7.198 8.025 3.302
235 HG11 VAL 34 1HG1 VAL 34 4.393 7.576 3.622
236 HG12 VAL 34 2HG1 VAL 34 5.579 8.101 4.819
237 HG13 VAL 34 3HG1 VAL 34 4.737 9.293 3.828
238 HG21 VAL 34 3HG2 VAL 34 6.937 6.725 1.407
239 HG22 VAL 34 1HG2 VAL 34 5.555 6.231 2.385
240 HG23 VAL 34 2HG2 VAL 34 5.334 7.371 1.057
241 H HIS 35 H HIS 35 5.794 8.668 -0.291
242 HA HIS 35 HA HIS 35 8.390 8.013 -1.220
243 HB2 HIS 35 1HB HIS 35 5.680 8.212 -2.477
244 HB3 HIS 35 2HB HIS 35 7.097 8.059 -3.511
245 HD1 HIS 35 HD1 HIS 35 8.710 6.028 -1.836
246 HD2 HIS 35 HD2 HIS 35 4.651 5.695 -2.659
247 HE1 HIS 35 HE1 HIS 35 8.176 3.582 -1.606
248 H THR 36 H THR 36 6.350 10.854 -1.537
249 HA THR 36 HA THR 36 8.017 12.141 -3.481
250 HB THR 36 HB THR 36 6.633 14.106 -3.138
251 HG1 THR 36 HG1 THR 36 4.844 13.708 -1.485
252 HG21 THR 36 3HG2 THR 36 4.864 11.665 -3.015
253 HG22 THR 36 1HG2 THR 36 5.749 12.165 -4.456
254 HG23 THR 36 2HG2 THR 36 4.504 13.214 -3.778
255 H GLY 37 H GLY 37 7.871 12.010 -0.002
256 HA2 GLY 37 1HA GLY 37 10.112 13.935 0.106
257 HA3 GLY 37 2HA GLY 37 8.875 13.850 1.351
258 H GLU 38 H GLU 38 11.475 12.005 -0.190
259 HA GLU 38 HA GLU 38 12.225 10.933 2.398
260 HB2 GLU 38 1HB GLU 38 12.221 8.601 1.642
261 HB3 GLU 38 2HB GLU 38 10.601 9.284 1.619
262 HG2 GLU 38 1HG GLU 38 10.561 9.410 -0.714
263 HG3 GLU 38 2HG GLU 38 12.308 9.217 -0.841
264 H LYS 39 H LYS 39 14.215 9.425 2.070
265 HA LYS 39 HA LYS 39 15.994 10.771 0.152
266 HB2 LYS 39 1HB LYS 39 16.499 9.485 2.826
267 HB3 LYS 39 2HB LYS 39 17.810 9.805 1.698
268 HG2 LYS 39 1HG LYS 39 17.728 11.608 3.240
269 HG3 LYS 39 2HG LYS 39 17.117 12.204 1.695
270 HD2 LYS 39 1HD LYS 39 14.883 12.169 2.451
271 HD3 LYS 39 2HD LYS 39 15.293 11.186 3.859
272 HE2 LYS 39 1HE LYS 39 15.077 13.282 4.796
273 HE3 LYS 39 2HE LYS 39 16.810 13.207 4.485
274 HZ1 LYS 39 3HZ LYS 39 14.752 14.809 3.165
275 HZ2 LYS 39 1HZ LYS 39 16.044 14.264 2.217
276 HZ3 LYS 39 2HZ LYS 39 16.339 15.220 3.581
277 HA PRO 40 HA PRO 40 15.577 6.529 -1.572
278 HB2 PRO 40 1HB PRO 40 15.798 7.332 -4.156
279 HB3 PRO 40 2HB PRO 40 14.267 7.347 -3.273
280 HG2 PRO 40 1HG PRO 40 16.158 9.601 -3.822
281 HG3 PRO 40 2HG PRO 40 14.388 9.579 -3.913
282 HD2 PRO 40 1HD PRO 40 15.725 10.618 -1.800
283 HD3 PRO 40 2HD PRO 40 14.142 9.831 -1.635
284 H SER 41 H SER 41 18.004 8.712 -1.151
285 HA SER 41 HA SER 41 20.055 6.833 -1.728
286 HB2 SER 41 1HB SER 41 21.196 7.963 -3.528
287 HB3 SER 41 2HB SER 41 19.534 7.669 -4.037
288 HG SER 41 HG SER 41 19.405 9.732 -4.345
289 H GLY 42 H GLY 42 21.767 7.241 -0.459
290 HA2 GLY 42 1HA GLY 42 23.335 9.102 0.246
291 HA3 GLY 42 2HA GLY 42 21.879 9.898 0.824
292 HA PRO 43 HA PRO 43 23.840 6.898 4.000
293 HB2 PRO 43 1HB PRO 43 25.278 8.670 5.470
294 HB3 PRO 43 2HB PRO 43 25.957 7.783 4.101
295 HG2 PRO 43 1HG PRO 43 24.921 10.589 4.214
296 HG3 PRO 43 2HG PRO 43 26.378 9.966 3.419
297 HD2 PRO 43 1HD PRO 43 24.096 10.501 2.064
298 HD3 PRO 43 2HD PRO 43 25.205 9.199 1.589
299 H SER 44 H SER 44 21.671 6.808 4.722
300 HA SER 44 HA SER 44 20.984 8.831 6.753
301 HB2 SER 44 1HB SER 44 19.517 8.734 4.659
302 HB3 SER 44 2HB SER 44 18.961 7.168 5.252
303 HG SER 44 HG SER 44 18.319 8.262 7.190
304 H SER 45 H SER 45 22.575 6.669 7.411
305 HA SER 45 HA SER 45 22.726 4.772 8.696
306 HB2 SER 45 1HB SER 45 21.600 4.997 10.853
307 HB3 SER 45 2HB SER 45 22.236 6.559 10.338
308 HG SER 45 HG SER 45 19.672 5.813 10.821
309 H GLY 46 H GLY 46 21.174 4.255 6.457
310 HA2 GLY 46 1HA GLY 46 19.765 1.938 7.288
311 HA3 GLY 46 2HA GLY 46 18.631 3.215 6.873
Start of MODEL 17
1 H1 GLY 1 H GLY 1 16.081 -14.301 4.159
2 HA2 GLY 1 1HA GLY 1 14.000 -15.842 4.642
3 HA3 GLY 1 2HA GLY 1 14.490 -14.660 5.847
4 H SER 2 H SER 2 12.735 -13.737 6.662
5 HA SER 2 HA SER 2 10.441 -13.221 4.918
6 HB2 SER 2 1HB SER 2 9.165 -12.898 6.971
7 HB3 SER 2 2HB SER 2 10.052 -14.420 7.054
8 HG SER 2 HG SER 2 10.385 -13.392 8.978
9 H SER 3 H SER 3 12.633 -11.585 4.459
10 HA SER 3 HA SER 3 12.800 -9.202 5.846
11 HB2 SER 3 1HB SER 3 13.611 -8.208 3.718
12 HB3 SER 3 2HB SER 3 14.362 -9.765 4.066
13 HG SER 3 HG SER 3 12.720 -9.030 1.998
14 H GLY 4 H GLY 4 10.676 -9.966 3.090
15 HA2 GLY 4 1HA GLY 4 9.182 -7.491 3.616
16 HA3 GLY 4 2HA GLY 4 9.092 -8.452 2.147
17 H SER 5 H SER 5 7.107 -7.452 4.277
18 HA SER 5 HA SER 5 5.912 -10.029 5.009
19 HB2 SER 5 1HB SER 5 6.150 -8.508 6.872
20 HB3 SER 5 2HB SER 5 5.346 -7.218 5.977
21 HG SER 5 HG SER 5 3.926 -9.581 6.238
22 H SER 6 H SER 6 3.782 -10.542 4.484
23 HA SER 6 HA SER 6 2.758 -9.119 2.134
24 HB2 SER 6 1HB SER 6 1.473 -11.140 1.672
25 HB3 SER 6 2HB SER 6 3.167 -11.557 1.929
26 HG SER 6 HG SER 6 2.002 -12.984 3.130
27 H GLY 7 H GLY 7 1.621 -10.511 5.207
28 HA2 GLY 7 1HA GLY 7 0.182 -9.166 6.631
29 HA3 GLY 7 2HA GLY 7 -0.554 -8.517 5.173
30 H THR 8 H THR 8 -2.451 -9.226 6.627
31 HA THR 8 HA THR 8 -3.087 -12.057 6.133
32 HB THR 8 HB THR 8 -4.446 -10.175 8.071
33 HG1 THR 8 HG1 THR 8 -2.534 -10.525 9.026
34 HG21 THR 8 3HG2 THR 8 -5.221 -12.400 9.036
35 HG22 THR 8 1HG2 THR 8 -4.682 -13.126 7.522
36 HG23 THR 8 2HG2 THR 8 -5.955 -11.904 7.511
37 H GLY 9 H GLY 9 -3.884 -11.946 4.051
38 HA2 GLY 9 1HA GLY 9 -6.103 -11.965 3.007
39 HA3 GLY 9 2HA GLY 9 -6.386 -10.401 3.756
40 H GLU 10 H GLU 10 -6.967 -9.911 1.457
41 HA GLU 10 HA GLU 10 -4.566 -8.969 0.043
42 HB2 GLU 10 1HB GLU 10 -6.973 -10.361 -1.125
43 HB3 GLU 10 2HB GLU 10 -5.874 -9.396 -2.101
44 HG2 GLU 10 1HG GLU 10 -5.066 -11.783 -0.457
45 HG3 GLU 10 2HG GLU 10 -5.398 -11.811 -2.188
46 H LYS 11 H LYS 11 -4.592 -6.865 -0.390
47 HA LYS 11 HA LYS 11 -7.080 -5.383 0.029
48 HB2 LYS 11 1HB LYS 11 -4.266 -4.324 -0.283
49 HB3 LYS 11 2HB LYS 11 -5.679 -3.408 0.225
50 HG2 LYS 11 1HG LYS 11 -4.926 -5.797 1.817
51 HG3 LYS 11 2HG LYS 11 -3.926 -4.349 1.957
52 HD2 LYS 11 1HD LYS 11 -5.454 -3.891 3.585
53 HD3 LYS 11 2HD LYS 11 -6.305 -3.195 2.204
54 HE2 LYS 11 1HE LYS 11 -7.982 -4.468 3.085
55 HE3 LYS 11 2HE LYS 11 -7.253 -5.651 2.000
56 HZ1 LYS 11 3HZ LYS 11 -7.735 -6.400 4.352
57 HZ2 LYS 11 1HZ LYS 11 -6.445 -5.419 4.837
58 HZ3 LYS 11 2HZ LYS 11 -6.175 -6.705 3.773
59 HA PRO 12 HA PRO 12 -7.679 -4.638 -4.267
60 HB2 PRO 12 1HB PRO 12 -9.128 -2.347 -4.115
61 HB3 PRO 12 2HB PRO 12 -9.790 -3.932 -3.698
62 HG2 PRO 12 1HG PRO 12 -8.731 -1.788 -1.898
63 HG3 PRO 12 2HG PRO 12 -10.179 -2.794 -1.708
64 HD2 PRO 12 1HD PRO 12 -7.868 -3.307 -0.395
65 HD3 PRO 12 2HD PRO 12 -8.980 -4.592 -0.908
66 H TYR 13 H TYR 13 -6.716 -1.817 -2.319
67 HA TYR 13 HA TYR 13 -5.339 -0.697 -4.648
68 HB2 TYR 13 1HB TYR 13 -5.889 0.524 -1.935
69 HB3 TYR 13 2HB TYR 13 -5.144 1.352 -3.298
70 HD1 TYR 13 HD2 TYR 13 -6.529 1.592 -5.438
71 HD2 TYR 13 HD1 TYR 13 -8.216 0.499 -1.689
72 HE1 TYR 13 HE2 TYR 13 -8.750 2.269 -6.248
73 HE2 TYR 13 HE1 TYR 13 -10.443 1.171 -2.488
74 HH TYR 13 HH TYR 13 -11.627 1.977 -4.180
75 H LYS 14 H LYS 14 -3.206 -0.817 -4.872
76 HA LYS 14 HA LYS 14 -1.554 -1.335 -2.494
77 HB2 LYS 14 1HB LYS 14 -2.008 -3.384 -3.983
78 HB3 LYS 14 2HB LYS 14 -0.970 -2.597 -5.164
79 HG2 LYS 14 1HG LYS 14 0.859 -2.578 -3.536
80 HG3 LYS 14 2HG LYS 14 -0.185 -3.390 -2.366
81 HD2 LYS 14 1HD LYS 14 -0.465 -5.129 -4.322
82 HD3 LYS 14 2HD LYS 14 1.074 -4.447 -4.854
83 HE2 LYS 14 1HE LYS 14 0.698 -5.328 -2.017
84 HE3 LYS 14 2HE LYS 14 1.068 -6.506 -3.276
85 HZ1 LYS 14 3HZ LYS 14 2.937 -4.745 -3.803
86 HZ2 LYS 14 1HZ LYS 14 3.160 -5.957 -2.644
87 HZ3 LYS 14 2HZ LYS 14 2.745 -4.391 -2.160
88 H CYS 15 H CYS 15 0.544 -0.488 -2.540
89 HA CYS 15 HA CYS 15 0.837 1.847 -4.211
90 HB2 CYS 15 1HB CYS 15 1.468 1.600 -1.709
91 HB3 CYS 15 2HB CYS 15 2.930 0.825 -2.310
92 H GLU 16 H GLU 16 2.205 2.131 -5.891
93 HA GLU 16 HA GLU 16 3.559 -0.251 -6.904
94 HB2 GLU 16 1HB GLU 16 1.974 1.416 -8.224
95 HB3 GLU 16 2HB GLU 16 3.474 2.309 -8.432
96 HG2 GLU 16 1HG GLU 16 2.934 0.774 -10.301
97 HG3 GLU 16 2HG GLU 16 4.501 0.474 -9.551
98 H GLU 17 H GLU 17 4.424 1.922 -4.784
99 HA GLU 17 HA GLU 17 7.065 2.493 -5.942
100 HB2 GLU 17 1HB GLU 17 5.439 3.799 -3.789
101 HB3 GLU 17 2HB GLU 17 7.185 3.998 -3.810
102 HG2 GLU 17 1HG GLU 17 5.445 4.623 -6.175
103 HG3 GLU 17 2HG GLU 17 5.843 5.807 -4.931
104 H CYS 18 H CYS 18 5.477 1.226 -3.038
105 HA CYS 18 HA CYS 18 8.003 -0.132 -2.355
106 HB2 CYS 18 1HB CYS 18 7.263 -0.004 0.029
107 HB3 CYS 18 2HB CYS 18 7.599 1.566 -0.694
108 H GLY 19 H GLY 19 4.474 -0.283 -2.331
109 HA2 GLY 19 1HA GLY 19 3.392 -2.319 -3.061
110 HA3 GLY 19 2HA GLY 19 4.700 -3.223 -2.312
111 H LYS 20 H LYS 20 2.492 -0.656 -1.195
112 HA LYS 20 HA LYS 20 1.939 -2.307 1.176
113 HB2 LYS 20 1HB LYS 20 2.939 0.074 1.353
114 HB3 LYS 20 2HB LYS 20 1.319 0.627 0.949
115 HG2 LYS 20 1HG LYS 20 1.166 0.665 3.211
116 HG3 LYS 20 2HG LYS 20 0.662 -1.003 2.926
117 HD2 LYS 20 1HD LYS 20 2.625 -1.875 3.724
118 HD3 LYS 20 2HD LYS 20 3.564 -0.446 3.285
119 HE2 LYS 20 1HE LYS 20 3.491 -0.345 5.607
120 HE3 LYS 20 2HE LYS 20 2.195 0.744 5.115
121 HZ1 LYS 20 3HZ LYS 20 0.583 -0.725 5.785
122 HZ2 LYS 20 1HZ LYS 20 1.776 -1.016 6.949
123 HZ3 LYS 20 2HZ LYS 20 1.584 -2.082 5.650
124 H GLY 21 H GLY 21 -0.120 -2.865 1.715
125 HA2 GLY 21 1HA GLY 21 -2.146 -2.439 -0.341
126 HA3 GLY 21 2HA GLY 21 -2.237 -3.583 0.990
127 H PHE 22 H PHE 22 -4.087 -1.432 -0.052
128 HA PHE 22 HA PHE 22 -4.667 -0.266 2.571
129 HB2 PHE 22 1HB PHE 22 -4.774 1.348 0.017
130 HB3 PHE 22 2HB PHE 22 -5.073 1.927 1.652
131 HD1 PHE 22 HD1 PHE 22 -2.474 0.673 -0.647
132 HD2 PHE 22 HD2 PHE 22 -3.301 2.609 3.052
133 HE1 PHE 22 HE1 PHE 22 -0.096 1.269 -0.431
134 HE2 PHE 22 HE2 PHE 22 -0.925 3.209 3.273
135 HZ PHE 22 HZ PHE 22 0.680 2.540 1.530
136 H ILE 23 H ILE 23 -6.906 0.769 2.554
137 HA ILE 23 HA ILE 23 -8.718 -1.031 1.102
138 HB ILE 23 HB ILE 23 -9.326 0.665 3.525
139 HG12 ILE 23 1HG1 ILE 23 -8.952 -2.326 3.475
140 HG13 ILE 23 2HG1 ILE 23 -7.619 -1.226 3.811
141 HG21 ILE 23 1HG2 ILE 23 -11.085 -1.502 3.324
142 HG22 ILE 23 2HG2 ILE 23 -11.445 0.202 3.049
143 HG23 ILE 23 3HG2 ILE 23 -10.967 -0.827 1.699
144 HD11 ILE 23 3HD1 ILE 23 -8.310 -0.849 5.896
145 HD12 ILE 23 1HD1 ILE 23 -10.003 -0.721 5.417
146 HD13 ILE 23 2HD1 ILE 23 -9.276 -2.308 5.674
147 H CYS 24 H CYS 24 -8.618 2.351 2.238
148 HA CYS 24 HA CYS 24 -10.583 3.127 0.259
149 HB2 CYS 24 1HB CYS 24 -9.082 4.664 2.380
150 HB3 CYS 24 2HB CYS 24 -10.191 5.430 1.248
151 HG CYS 24 HG CYS 24 -12.420 3.951 2.122
152 H ARG 25 H ARG 25 -10.242 4.444 -1.506
153 HA ARG 25 HA ARG 25 -7.733 4.233 -2.792
154 HB2 ARG 25 1HB ARG 25 -9.945 4.408 -3.949
155 HB3 ARG 25 2HB ARG 25 -10.001 6.103 -3.488
156 HG2 ARG 25 1HG ARG 25 -7.933 6.495 -4.762
157 HG3 ARG 25 2HG ARG 25 -7.951 4.805 -5.268
158 HD2 ARG 25 1HD ARG 25 -9.730 5.102 -6.676
159 HD3 ARG 25 2HD ARG 25 -10.393 6.433 -5.730
160 HE ARG 25 HE ARG 25 -8.511 6.613 -7.890
161 HH11 ARG 25 1HH1 ARG 25 -9.705 8.155 -5.007
162 HH12 ARG 25 2HH1 ARG 25 -9.207 9.742 -5.492
163 HH21 ARG 25 1HH2 ARG 25 -7.850 8.698 -8.540
164 HH22 ARG 25 2HH2 ARG 25 -8.153 10.050 -7.502
165 H ARG 26 H ARG 26 -9.322 6.839 -1.026
166 HA ARG 26 HA ARG 26 -7.570 8.921 -1.665
167 HB2 ARG 26 1HB ARG 26 -9.307 8.379 0.731
168 HB3 ARG 26 2HB ARG 26 -8.302 9.819 0.637
169 HG2 ARG 26 1HG ARG 26 -9.447 10.400 -1.495
170 HG3 ARG 26 2HG ARG 26 -10.533 9.036 -1.223
171 HD2 ARG 26 1HD ARG 26 -11.530 11.137 -0.471
172 HD3 ARG 26 2HD ARG 26 -11.274 10.027 0.874
173 HE ARG 26 HE ARG 26 -9.946 12.560 0.422
174 HH11 ARG 26 1HH1 ARG 26 -9.969 9.540 2.153
175 HH12 ARG 26 2HH1 ARG 26 -8.982 10.126 3.451
176 HH21 ARG 26 1HH2 ARG 26 -8.646 13.344 2.125
177 HH22 ARG 26 2HH2 ARG 26 -8.231 12.290 3.434
178 H ASP 27 H ASP 27 -7.531 6.754 1.165
179 HA ASP 27 HA ASP 27 -5.306 7.674 2.464
180 HB2 ASP 27 1HB ASP 27 -6.398 4.894 2.126
181 HB3 ASP 27 2HB ASP 27 -4.945 5.183 3.078
182 H LEU 28 H LEU 28 -5.330 5.192 -0.094
183 HA LEU 28 HA LEU 28 -2.700 4.575 -0.303
184 HB2 LEU 28 1HB LEU 28 -4.136 3.474 -1.767
185 HB3 LEU 28 2HB LEU 28 -4.796 4.981 -2.401
186 HG LEU 28 HG LEU 28 -2.644 5.383 -3.563
187 HD11 LEU 28 1HD1 LEU 28 -1.850 3.109 -1.963
188 HD12 LEU 28 2HD1 LEU 28 -0.860 4.265 -2.853
189 HD13 LEU 28 3HD1 LEU 28 -1.518 2.851 -3.676
190 HD21 LEU 28 3HD2 LEU 28 -4.384 3.033 -4.111
191 HD22 LEU 28 1HD2 LEU 28 -2.938 3.259 -5.095
192 HD23 LEU 28 2HD2 LEU 28 -4.168 4.521 -5.033
193 H TYR 29 H TYR 29 -4.232 7.313 -2.001
194 HA TYR 29 HA TYR 29 -1.938 8.376 -3.149
195 HB2 TYR 29 1HB TYR 29 -4.597 9.486 -2.380
196 HB3 TYR 29 2HB TYR 29 -3.323 10.619 -2.818
197 HD1 TYR 29 HD1 TYR 29 -5.155 7.627 -4.056
198 HD2 TYR 29 HD2 TYR 29 -2.867 11.069 -5.067
199 HE1 TYR 29 HE1 TYR 29 -5.649 7.249 -6.436
200 HE2 TYR 29 HE2 TYR 29 -3.356 10.701 -7.449
201 HH TYR 29 HH TYR 29 -4.897 7.802 -8.583
202 H THR 30 H THR 30 -3.433 9.184 -0.025
203 HA THR 30 HA THR 30 -1.687 11.167 0.801
204 HB THR 30 HB THR 30 -2.968 9.079 2.576
205 HG1 THR 30 HG1 THR 30 -4.063 11.629 2.214
206 HG21 THR 30 3HG2 THR 30 -1.749 11.776 3.104
207 HG22 THR 30 1HG2 THR 30 -1.404 10.239 3.895
208 HG23 THR 30 2HG2 THR 30 -2.935 11.062 4.196
209 H HIS 31 H HIS 31 -1.348 7.659 1.024
210 HA HIS 31 HA HIS 31 0.956 7.604 2.635
211 HB2 HIS 31 1HB HIS 31 -0.131 5.547 2.438
212 HB3 HIS 31 2HB HIS 31 -0.275 5.679 0.688
213 HD1 HIS 31 HD1 HIS 31 2.270 4.908 3.365
214 HD2 HIS 31 HD2 HIS 31 1.784 4.554 -0.746
215 HE1 HIS 31 HE1 HIS 31 4.200 3.501 2.579
216 H HIS 32 H HIS 32 0.503 8.059 -0.806
217 HA HIS 32 HA HIS 32 3.031 7.555 -1.787
218 HB2 HIS 32 1HB HIS 32 0.855 8.344 -2.992
219 HB3 HIS 32 2HB HIS 32 1.503 9.961 -2.729
220 HD1 HIS 32 HD1 HIS 32 2.893 10.795 -4.587
221 HD2 HIS 32 HD2 HIS 32 2.912 6.645 -4.397
222 HE1 HIS 32 HE1 HIS 32 4.270 10.038 -6.551
223 H MET 33 H MET 33 1.922 10.227 0.151
224 HA MET 33 HA MET 33 3.760 12.193 -0.288
225 HB2 MET 33 1HB MET 33 2.453 11.218 2.230
226 HB3 MET 33 2HB MET 33 3.621 12.531 2.293
227 HG2 MET 33 1HG MET 33 2.231 13.742 0.612
228 HG3 MET 33 2HG MET 33 1.021 12.473 0.787
229 HE1 MET 33 3HE MET 33 -0.795 14.815 1.679
230 HE2 MET 33 1HE MET 33 0.128 16.022 2.574
231 HE3 MET 33 2HE MET 33 0.701 15.462 1.003
232 H VAL 34 H VAL 34 4.295 9.088 1.185
233 HA VAL 34 HA VAL 34 6.777 9.663 2.429
234 HB VAL 34 HB VAL 34 7.063 7.312 2.686
235 HG11 VAL 34 1HG1 VAL 34 5.383 7.114 4.137
236 HG12 VAL 34 2HG1 VAL 34 4.782 8.647 3.502
237 HG13 VAL 34 3HG1 VAL 34 4.173 7.123 2.855
238 HG21 VAL 34 3HG2 VAL 34 6.753 6.321 0.626
239 HG22 VAL 34 1HG2 VAL 34 5.303 5.802 1.486
240 HG23 VAL 34 2HG2 VAL 34 5.218 7.142 0.343
241 H HIS 35 H HIS 35 5.877 8.552 -0.790
242 HA HIS 35 HA HIS 35 8.682 8.355 -1.574
243 HB2 HIS 35 1HB HIS 35 6.243 7.838 -3.280
244 HB3 HIS 35 2HB HIS 35 7.899 7.329 -3.599
245 HD1 HIS 35 HD1 HIS 35 8.762 5.862 -1.208
246 HD2 HIS 35 HD2 HIS 35 4.842 5.652 -2.570
247 HE1 HIS 35 HE1 HIS 35 7.832 3.730 -0.254
248 H THR 36 H THR 36 7.233 10.919 -0.962
249 HA THR 36 HA THR 36 7.714 12.259 -3.544
250 HB THR 36 HB THR 36 6.090 13.952 -2.947
251 HG1 THR 36 HG1 THR 36 5.411 14.171 -0.952
252 HG21 THR 36 3HG2 THR 36 4.048 12.314 -2.566
253 HG22 THR 36 1HG2 THR 36 5.270 11.089 -2.901
254 HG23 THR 36 2HG2 THR 36 4.927 12.342 -4.094
255 H GLY 37 H GLY 37 8.215 12.286 -0.083
256 HA2 GLY 37 1HA GLY 37 9.747 14.776 -0.250
257 HA3 GLY 37 2HA GLY 37 9.284 13.943 1.227
258 H GLU 38 H GLU 38 11.637 14.513 1.629
259 HA GLU 38 HA GLU 38 13.730 13.222 0.293
260 HB2 GLU 38 1HB GLU 38 13.436 14.303 3.082
261 HB3 GLU 38 2HB GLU 38 14.915 13.499 2.573
262 HG2 GLU 38 1HG GLU 38 14.728 15.207 0.567
263 HG3 GLU 38 2HG GLU 38 13.798 16.120 1.754
264 H LYS 39 H LYS 39 15.210 11.623 1.587
265 HA LYS 39 HA LYS 39 13.522 9.428 2.596
266 HB2 LYS 39 1HB LYS 39 15.099 7.850 1.534
267 HB3 LYS 39 2HB LYS 39 14.289 8.879 0.360
268 HG2 LYS 39 1HG LYS 39 16.945 9.721 1.401
269 HG3 LYS 39 2HG LYS 39 16.866 8.413 0.218
270 HD2 LYS 39 1HD LYS 39 15.962 9.789 -1.426
271 HD3 LYS 39 2HD LYS 39 15.404 10.985 -0.254
272 HE2 LYS 39 1HE LYS 39 18.310 10.413 -0.801
273 HE3 LYS 39 2HE LYS 39 17.393 11.671 -1.628
274 HZ1 LYS 39 3HZ LYS 39 17.126 12.868 0.341
275 HZ2 LYS 39 1HZ LYS 39 18.735 12.350 0.397
276 HZ3 LYS 39 2HZ LYS 39 17.561 11.559 1.321
277 HA PRO 40 HA PRO 40 16.083 9.496 6.178
278 HB2 PRO 40 1HB PRO 40 15.602 6.983 7.086
279 HB3 PRO 40 2HB PRO 40 14.418 8.290 7.204
280 HG2 PRO 40 1HG PRO 40 14.603 6.077 5.197
281 HG3 PRO 40 2HG PRO 40 13.173 6.721 6.025
282 HD2 PRO 40 1HD PRO 40 13.814 7.401 3.484
283 HD3 PRO 40 2HD PRO 40 12.999 8.520 4.595
284 H SER 41 H SER 41 17.985 8.540 7.084
285 HA SER 41 HA SER 41 19.964 7.860 5.280
286 HB2 SER 41 1HB SER 41 20.253 8.636 7.681
287 HB3 SER 41 2HB SER 41 19.961 6.966 8.167
288 HG SER 41 HG SER 41 22.078 7.983 6.585
289 H GLY 42 H GLY 42 20.757 6.005 4.423
290 HA2 GLY 42 1HA GLY 42 20.557 3.864 3.571
291 HA3 GLY 42 2HA GLY 42 20.643 3.436 5.273
292 HA PRO 43 HA PRO 43 15.972 3.563 3.911
293 HB2 PRO 43 1HB PRO 43 15.578 3.230 1.245
294 HB3 PRO 43 2HB PRO 43 15.720 4.820 2.004
295 HG2 PRO 43 1HG PRO 43 17.786 3.234 0.528
296 HG3 PRO 43 2HG PRO 43 17.426 4.968 0.431
297 HD2 PRO 43 1HD PRO 43 19.500 3.989 1.870
298 HD3 PRO 43 2HD PRO 43 18.611 5.450 2.348
299 H SER 44 H SER 44 14.952 1.678 4.228
300 HA SER 44 HA SER 44 16.274 -0.787 3.990
301 HB2 SER 44 1HB SER 44 14.498 -0.451 5.623
302 HB3 SER 44 2HB SER 44 13.322 -0.202 4.332
303 HG SER 44 HG SER 44 13.773 -2.373 3.663
304 H SER 45 H SER 45 16.888 -1.537 2.054
305 HA SER 45 HA SER 45 15.906 -1.080 -0.427
306 HB2 SER 45 1HB SER 45 17.894 -2.573 0.349
307 HB3 SER 45 2HB SER 45 16.716 -3.885 0.286
308 HG SER 45 HG SER 45 18.081 -2.888 -1.713
309 H GLY 46 H GLY 46 14.606 -2.412 -1.905
310 HA2 GLY 46 1HA GLY 46 12.829 -4.405 -1.141
311 HA3 GLY 46 2HA GLY 46 12.016 -2.876 -0.841
Start of MODEL 18
1 H1 GLY 1 H GLY 1 5.488 -1.755 24.000
2 HA2 GLY 1 1HA GLY 1 4.690 0.897 24.789
3 HA3 GLY 1 2HA GLY 1 5.891 0.891 23.506
4 H SER 2 H SER 2 5.310 0.299 21.446
5 HA SER 2 HA SER 2 2.478 -0.387 21.028
6 HB2 SER 2 1HB SER 2 2.838 1.998 20.522
7 HB3 SER 2 2HB SER 2 4.109 1.562 19.381
8 HG SER 2 HG SER 2 1.404 0.723 19.192
9 H SER 3 H SER 3 2.063 -1.303 18.836
10 HA SER 3 HA SER 3 4.366 -2.601 17.601
11 HB2 SER 3 1HB SER 3 3.414 -4.821 17.745
12 HB3 SER 3 2HB SER 3 3.523 -4.151 19.373
13 HG SER 3 HG SER 3 1.434 -4.267 19.528
14 H GLY 4 H GLY 4 3.868 -3.563 15.514
15 HA2 GLY 4 1HA GLY 4 1.980 -1.941 14.058
16 HA3 GLY 4 2HA GLY 4 3.070 -3.140 13.379
17 H SER 5 H SER 5 0.031 -2.480 13.284
18 HA SER 5 HA SER 5 -1.020 -5.113 14.014
19 HB2 SER 5 1HB SER 5 -2.364 -2.524 13.229
20 HB3 SER 5 2HB SER 5 -3.245 -4.038 13.426
21 HG SER 5 HG SER 5 -3.141 -2.632 15.323
22 H SER 6 H SER 6 -2.424 -6.246 12.492
23 HA SER 6 HA SER 6 -1.696 -5.746 9.681
24 HB2 SER 6 1HB SER 6 -1.931 -8.443 11.039
25 HB3 SER 6 2HB SER 6 -1.608 -8.183 9.325
26 HG SER 6 HG SER 6 0.377 -7.440 9.792
27 H GLY 7 H GLY 7 -3.223 -6.584 8.103
28 HA2 GLY 7 1HA GLY 7 -5.970 -6.588 9.184
29 HA3 GLY 7 2HA GLY 7 -5.526 -5.988 7.593
30 H THR 8 H THR 8 -7.524 -7.990 8.325
31 HA THR 8 HA THR 8 -6.402 -10.482 7.304
32 HB THR 8 HB THR 8 -8.604 -11.461 7.800
33 HG1 THR 8 HG1 THR 8 -9.308 -8.923 8.878
34 HG21 THR 8 3HG2 THR 8 -6.794 -10.310 9.711
35 HG22 THR 8 1HG2 THR 8 -7.699 -11.820 9.805
36 HG23 THR 8 2HG2 THR 8 -8.433 -10.317 10.363
37 H GLY 9 H GLY 9 -6.475 -10.995 5.220
38 HA2 GLY 9 1HA GLY 9 -7.658 -11.365 3.185
39 HA3 GLY 9 2HA GLY 9 -8.715 -10.021 3.589
40 H GLU 10 H GLU 10 -7.596 -10.251 1.077
41 HA GLU 10 HA GLU 10 -5.197 -8.706 0.859
42 HB2 GLU 10 1HB GLU 10 -7.238 -9.662 -1.139
43 HB3 GLU 10 2HB GLU 10 -5.892 -8.633 -1.606
44 HG2 GLU 10 1HG GLU 10 -5.808 -11.426 -0.521
45 HG3 GLU 10 2HG GLU 10 -5.219 -10.832 -2.073
46 H LYS 11 H LYS 11 -5.174 -6.703 -0.556
47 HA LYS 11 HA LYS 11 -7.348 -4.912 0.303
48 HB2 LYS 11 1HB LYS 11 -4.476 -4.243 -0.368
49 HB3 LYS 11 2HB LYS 11 -5.705 -3.082 0.117
50 HG2 LYS 11 1HG LYS 11 -5.026 -5.396 1.884
51 HG3 LYS 11 2HG LYS 11 -4.020 -3.946 1.869
52 HD2 LYS 11 1HD LYS 11 -6.080 -2.607 2.328
53 HD3 LYS 11 2HD LYS 11 -6.958 -4.126 2.526
54 HE2 LYS 11 1HE LYS 11 -6.326 -3.347 4.696
55 HE3 LYS 11 2HE LYS 11 -5.333 -4.751 4.310
56 HZ1 LYS 11 3HZ LYS 11 -3.642 -3.036 3.507
57 HZ2 LYS 11 1HZ LYS 11 -3.842 -3.217 5.177
58 HZ3 LYS 11 2HZ LYS 11 -4.549 -1.905 4.378
59 HA PRO 12 HA PRO 12 -8.448 -4.273 -3.911
60 HB2 PRO 12 1HB PRO 12 -9.640 -1.844 -3.686
61 HB3 PRO 12 2HB PRO 12 -10.387 -3.338 -3.108
62 HG2 PRO 12 1HG PRO 12 -8.897 -1.247 -1.569
63 HG3 PRO 12 2HG PRO 12 -10.395 -2.095 -1.143
64 HD2 PRO 12 1HD PRO 12 -7.987 -2.789 -0.118
65 HD3 PRO 12 2HD PRO 12 -9.275 -3.974 -0.418
66 H TYR 13 H TYR 13 -6.706 -1.736 -2.182
67 HA TYR 13 HA TYR 13 -5.502 -0.907 -4.741
68 HB2 TYR 13 1HB TYR 13 -5.835 0.827 -2.289
69 HB3 TYR 13 2HB TYR 13 -5.274 1.331 -3.879
70 HD1 TYR 13 HD2 TYR 13 -6.986 0.894 -5.841
71 HD2 TYR 13 HD1 TYR 13 -8.050 1.183 -1.732
72 HE1 TYR 13 HE2 TYR 13 -9.294 1.449 -6.484
73 HE2 TYR 13 HE1 TYR 13 -10.362 1.737 -2.363
74 HH TYR 13 HH TYR 13 -11.265 2.324 -5.697
75 H LYS 14 H LYS 14 -3.392 -1.239 -4.928
76 HA LYS 14 HA LYS 14 -1.791 -1.533 -2.471
77 HB2 LYS 14 1HB LYS 14 -2.172 -3.695 -3.636
78 HB3 LYS 14 2HB LYS 14 -1.401 -3.029 -5.070
79 HG2 LYS 14 1HG LYS 14 0.372 -4.123 -4.175
80 HG3 LYS 14 2HG LYS 14 0.562 -2.571 -3.357
81 HD2 LYS 14 1HD LYS 14 -0.318 -3.391 -1.350
82 HD3 LYS 14 2HD LYS 14 -1.055 -4.787 -2.140
83 HE2 LYS 14 1HE LYS 14 1.904 -4.310 -1.794
84 HE3 LYS 14 2HE LYS 14 0.921 -5.418 -0.837
85 HZ1 LYS 14 3HZ LYS 14 0.553 -5.967 -3.573
86 HZ2 LYS 14 1HZ LYS 14 1.198 -6.968 -2.372
87 HZ3 LYS 14 2HZ LYS 14 2.212 -5.933 -3.244
88 H CYS 15 H CYS 15 0.088 -0.426 -2.358
89 HA CYS 15 HA CYS 15 0.551 1.749 -4.060
90 HB2 CYS 15 1HB CYS 15 1.346 1.627 -1.723
91 HB3 CYS 15 2HB CYS 15 2.511 0.395 -2.194
92 H GLU 16 H GLU 16 1.589 1.960 -5.937
93 HA GLU 16 HA GLU 16 2.882 -0.398 -7.075
94 HB2 GLU 16 1HB GLU 16 1.628 2.064 -8.176
95 HB3 GLU 16 2HB GLU 16 2.927 1.333 -9.109
96 HG2 GLU 16 1HG GLU 16 0.678 -0.362 -8.130
97 HG3 GLU 16 2HG GLU 16 0.456 0.661 -9.548
98 H GLU 17 H GLU 17 4.053 1.533 -5.027
99 HA GLU 17 HA GLU 17 6.499 2.195 -6.532
100 HB2 GLU 17 1HB GLU 17 5.288 3.596 -4.146
101 HB3 GLU 17 2HB GLU 17 6.890 3.943 -4.780
102 HG2 GLU 17 1HG GLU 17 4.294 4.267 -6.267
103 HG3 GLU 17 2HG GLU 17 5.256 5.563 -5.559
104 H CYS 18 H CYS 18 5.180 1.040 -3.466
105 HA CYS 18 HA CYS 18 7.739 -0.322 -2.967
106 HB2 CYS 18 1HB CYS 18 7.662 0.201 -0.634
107 HB3 CYS 18 2HB CYS 18 7.453 1.713 -1.512
108 H GLY 19 H GLY 19 4.254 -0.248 -2.594
109 HA2 GLY 19 1HA GLY 19 2.826 -2.095 -2.667
110 HA3 GLY 19 2HA GLY 19 4.219 -3.150 -2.478
111 H LYS 20 H LYS 20 2.227 -0.812 -0.694
112 HA LYS 20 HA LYS 20 2.871 -2.248 1.788
113 HB2 LYS 20 1HB LYS 20 3.291 0.211 1.712
114 HB3 LYS 20 2HB LYS 20 1.568 0.461 1.465
115 HG2 LYS 20 1HG LYS 20 1.032 -0.208 3.620
116 HG3 LYS 20 2HG LYS 20 2.560 -1.063 3.840
117 HD2 LYS 20 1HD LYS 20 2.604 1.884 3.381
118 HD3 LYS 20 2HD LYS 20 2.144 1.273 4.972
119 HE2 LYS 20 1HE LYS 20 4.242 0.013 5.087
120 HE3 LYS 20 2HE LYS 20 4.699 0.631 3.500
121 HZ1 LYS 20 3HZ LYS 20 5.187 2.665 4.329
122 HZ2 LYS 20 1HZ LYS 20 5.477 1.773 5.738
123 HZ3 LYS 20 2HZ LYS 20 4.012 2.596 5.545
124 H GLY 21 H GLY 21 0.192 -1.087 -0.197
125 HA2 GLY 21 1HA GLY 21 -1.871 -2.181 -0.445
126 HA3 GLY 21 2HA GLY 21 -1.521 -3.122 0.998
127 H PHE 22 H PHE 22 -3.717 -1.135 -0.087
128 HA PHE 22 HA PHE 22 -4.259 -0.022 2.559
129 HB2 PHE 22 1HB PHE 22 -4.350 1.633 0.028
130 HB3 PHE 22 2HB PHE 22 -4.840 2.174 1.630
131 HD1 PHE 22 HD1 PHE 22 -1.926 0.961 -0.316
132 HD2 PHE 22 HD2 PHE 22 -3.289 3.113 3.094
133 HE1 PHE 22 HE1 PHE 22 0.376 1.710 0.128
134 HE2 PHE 22 HE2 PHE 22 -0.990 3.866 3.543
135 HZ PHE 22 HZ PHE 22 0.846 3.165 2.058
136 H ILE 23 H ILE 23 -6.490 0.572 2.878
137 HA ILE 23 HA ILE 23 -8.275 -1.174 1.407
138 HB ILE 23 HB ILE 23 -8.794 0.622 3.779
139 HG12 ILE 23 1HG1 ILE 23 -8.710 -2.388 3.749
140 HG13 ILE 23 2HG1 ILE 23 -7.254 -1.432 4.000
141 HG21 ILE 23 1HG2 ILE 23 -10.782 -1.241 3.773
142 HG22 ILE 23 2HG2 ILE 23 -10.936 0.404 3.158
143 HG23 ILE 23 3HG2 ILE 23 -10.581 -0.922 2.050
144 HD11 ILE 23 3HD1 ILE 23 -7.766 -1.517 6.158
145 HD12 ILE 23 1HD1 ILE 23 -9.027 -0.341 5.790
146 HD13 ILE 23 2HD1 ILE 23 -9.411 -2.062 5.833
147 H CYS 24 H CYS 24 -8.287 2.281 2.305
148 HA CYS 24 HA CYS 24 -10.313 2.851 0.323
149 HB2 CYS 24 1HB CYS 24 -8.838 4.506 2.357
150 HB3 CYS 24 2HB CYS 24 -9.834 5.264 1.120
151 HG CYS 24 HG CYS 24 -10.964 4.777 3.863
152 H ARG 25 H ARG 25 -10.047 4.384 -1.393
153 HA ARG 25 HA ARG 25 -7.618 3.998 -2.843
154 HB2 ARG 25 1HB ARG 25 -9.949 4.239 -3.826
155 HB3 ARG 25 2HB ARG 25 -9.808 5.962 -3.507
156 HG2 ARG 25 1HG ARG 25 -7.834 6.063 -4.954
157 HG3 ARG 25 2HG ARG 25 -8.003 4.338 -5.287
158 HD2 ARG 25 1HD ARG 25 -9.871 4.633 -6.587
159 HD3 ARG 25 2HD ARG 25 -10.339 6.120 -5.764
160 HE ARG 25 HE ARG 25 -7.921 6.503 -7.173
161 HH11 ARG 25 1HH1 ARG 25 -11.344 6.122 -7.676
162 HH12 ARG 25 2HH1 ARG 25 -11.361 7.031 -9.151
163 HH21 ARG 25 1HH2 ARG 25 -7.930 7.702 -9.114
164 HH22 ARG 25 2HH2 ARG 25 -9.419 7.929 -9.968
165 H ARG 26 H ARG 26 -9.026 6.642 -1.001
166 HA ARG 26 HA ARG 26 -7.220 8.656 -1.797
167 HB2 ARG 26 1HB ARG 26 -7.970 9.847 0.229
168 HB3 ARG 26 2HB ARG 26 -9.317 9.200 -0.698
169 HG2 ARG 26 1HG ARG 26 -9.323 7.243 0.883
170 HG3 ARG 26 2HG ARG 26 -8.174 8.145 1.872
171 HD2 ARG 26 1HD ARG 26 -9.735 9.850 2.315
172 HD3 ARG 26 2HD ARG 26 -10.809 9.311 1.025
173 HE ARG 26 HE ARG 26 -10.491 7.285 2.980
174 HH11 ARG 26 1HH1 ARG 26 -12.075 10.331 2.403
175 HH12 ARG 26 2HH1 ARG 26 -13.387 10.002 3.486
176 HH21 ARG 26 1HH2 ARG 26 -12.213 6.840 4.408
177 HH22 ARG 26 2HH2 ARG 26 -13.464 8.016 4.627
178 H ASP 27 H ASP 27 -7.133 6.265 0.793
179 HA ASP 27 HA ASP 27 -4.911 7.245 2.187
180 HB2 ASP 27 1HB ASP 27 -6.230 4.576 1.938
181 HB3 ASP 27 2HB ASP 27 -4.649 4.664 2.710
182 H LEU 28 H LEU 28 -5.149 5.181 -0.654
183 HA LEU 28 HA LEU 28 -2.521 4.284 -0.812
184 HB2 LEU 28 1HB LEU 28 -4.072 3.314 -2.274
185 HB3 LEU 28 2HB LEU 28 -4.598 4.879 -2.891
186 HG LEU 28 HG LEU 28 -2.486 5.122 -4.094
187 HD11 LEU 28 1HD1 LEU 28 -1.830 2.321 -3.211
188 HD12 LEU 28 2HD1 LEU 28 -1.155 3.764 -2.456
189 HD13 LEU 28 3HD1 LEU 28 -0.829 3.425 -4.155
190 HD21 LEU 28 3HD2 LEU 28 -4.484 3.104 -4.587
191 HD22 LEU 28 1HD2 LEU 28 -2.929 2.634 -5.275
192 HD23 LEU 28 2HD2 LEU 28 -3.662 4.175 -5.724
193 H TYR 29 H TYR 29 -3.952 7.147 -2.385
194 HA TYR 29 HA TYR 29 -1.517 8.118 -3.427
195 HB2 TYR 29 1HB TYR 29 -4.206 9.358 -2.920
196 HB3 TYR 29 2HB TYR 29 -2.858 10.342 -3.479
197 HD1 TYR 29 HD2 TYR 29 -1.508 8.680 -5.412
198 HD2 TYR 29 HD1 TYR 29 -5.680 9.083 -4.679
199 HE1 TYR 29 HE2 TYR 29 -1.975 8.008 -7.732
200 HE2 TYR 29 HE1 TYR 29 -6.158 8.410 -6.996
201 HH TYR 29 HH TYR 29 -5.306 7.824 -8.957
202 H THR 30 H THR 30 -3.240 8.741 -0.413
203 HA THR 30 HA THR 30 -1.726 10.887 0.529
204 HB THR 30 HB THR 30 -2.980 8.693 2.191
205 HG1 THR 30 HG1 THR 30 -4.691 9.526 1.189
206 HG21 THR 30 3HG2 THR 30 -3.212 10.718 3.791
207 HG22 THR 30 1HG2 THR 30 -1.921 11.427 2.822
208 HG23 THR 30 2HG2 THR 30 -1.652 9.905 3.671
209 H HIS 31 H HIS 31 -1.092 7.436 0.586
210 HA HIS 31 HA HIS 31 1.041 7.455 2.427
211 HB2 HIS 31 1HB HIS 31 0.183 5.331 2.006
212 HB3 HIS 31 2HB HIS 31 0.157 5.578 0.262
213 HD1 HIS 31 HD1 HIS 31 2.958 5.607 2.852
214 HD2 HIS 31 HD2 HIS 31 2.008 3.967 -0.845
215 HE1 HIS 31 HE1 HIS 31 4.960 4.237 2.189
216 H HIS 32 H HIS 32 0.877 8.070 -1.021
217 HA HIS 32 HA HIS 32 3.590 7.907 -1.659
218 HB2 HIS 32 1HB HIS 32 1.562 8.231 -3.214
219 HB3 HIS 32 2HB HIS 32 1.744 9.950 -2.879
220 HD1 HIS 32 HD1 HIS 32 2.576 10.742 -5.109
221 HD2 HIS 32 HD2 HIS 32 4.754 7.521 -3.645
222 HE1 HIS 32 HE1 HIS 32 4.536 10.493 -6.665
223 H MET 33 H MET 33 1.849 10.269 0.152
224 HA MET 33 HA MET 33 3.267 12.585 -0.150
225 HB2 MET 33 1HB MET 33 2.060 11.318 2.294
226 HB3 MET 33 2HB MET 33 2.860 12.881 2.383
227 HG2 MET 33 1HG MET 33 0.485 12.189 0.670
228 HG3 MET 33 2HG MET 33 0.470 13.151 2.146
229 HE1 MET 33 3HE MET 33 -0.575 14.749 -1.021
230 HE2 MET 33 1HE MET 33 -0.989 14.414 0.661
231 HE3 MET 33 2HE MET 33 -0.366 16.000 0.206
232 H VAL 34 H VAL 34 4.153 9.804 1.868
233 HA VAL 34 HA VAL 34 6.582 10.992 2.803
234 HB VAL 34 HB VAL 34 7.002 8.993 3.941
235 HG11 VAL 34 1HG1 VAL 34 5.240 9.290 5.256
236 HG12 VAL 34 2HG1 VAL 34 4.354 10.035 3.924
237 HG13 VAL 34 3HG1 VAL 34 4.269 8.291 4.175
238 HG21 VAL 34 3HG2 VAL 34 6.956 7.476 2.052
239 HG22 VAL 34 1HG2 VAL 34 5.957 6.838 3.358
240 HG23 VAL 34 2HG2 VAL 34 5.199 7.602 1.961
241 H HIS 35 H HIS 35 5.684 8.908 0.136
242 HA HIS 35 HA HIS 35 8.250 8.013 -0.586
243 HB2 HIS 35 1HB HIS 35 5.610 8.221 -1.945
244 HB3 HIS 35 2HB HIS 35 7.029 7.995 -2.963
245 HD1 HIS 35 HD1 HIS 35 8.554 6.068 -0.988
246 HD2 HIS 35 HD2 HIS 35 4.598 5.675 -2.194
247 HE1 HIS 35 HE1 HIS 35 7.997 3.635 -0.683
248 H THR 36 H THR 36 6.481 10.953 -1.338
249 HA THR 36 HA THR 36 8.694 11.887 -3.020
250 HB THR 36 HB THR 36 6.444 12.123 -3.971
251 HG1 THR 36 HG1 THR 36 6.624 14.423 -4.387
252 HG21 THR 36 3HG2 THR 36 5.840 14.153 -1.839
253 HG22 THR 36 1HG2 THR 36 5.374 12.462 -1.667
254 HG23 THR 36 2HG2 THR 36 4.740 13.420 -3.006
255 H GLY 37 H GLY 37 7.407 12.200 0.120
256 HA2 GLY 37 1HA GLY 37 8.467 14.861 0.586
257 HA3 GLY 37 2HA GLY 37 7.673 13.831 1.767
258 H GLU 38 H GLU 38 10.097 15.367 2.108
259 HA GLU 38 HA GLU 38 11.993 13.165 2.602
260 HB2 GLU 38 1HB GLU 38 13.823 14.617 2.195
261 HB3 GLU 38 2HB GLU 38 12.700 14.864 0.866
262 HG2 GLU 38 1HG GLU 38 12.478 16.650 3.223
263 HG3 GLU 38 2HG GLU 38 13.842 16.878 2.130
264 H LYS 39 H LYS 39 9.799 14.620 4.210
265 HA LYS 39 HA LYS 39 10.868 16.138 6.257
266 HB2 LYS 39 1HB LYS 39 8.468 15.817 5.974
267 HB3 LYS 39 2HB LYS 39 8.624 14.117 6.397
268 HG2 LYS 39 1HG LYS 39 7.924 14.940 8.393
269 HG3 LYS 39 2HG LYS 39 9.667 15.125 8.603
270 HD2 LYS 39 1HD LYS 39 9.330 17.474 7.615
271 HD3 LYS 39 2HD LYS 39 7.616 17.218 7.951
272 HE2 LYS 39 1HE LYS 39 9.655 16.753 10.089
273 HE3 LYS 39 2HE LYS 39 9.120 18.391 9.720
274 HZ1 LYS 39 3HZ LYS 39 7.788 16.361 11.193
275 HZ2 LYS 39 1HZ LYS 39 6.822 16.892 9.910
276 HZ3 LYS 39 2HZ LYS 39 7.404 18.002 11.045
277 HA PRO 40 HA PRO 40 13.529 13.388 8.450
278 HB2 PRO 40 1HB PRO 40 13.673 14.763 10.786
279 HB3 PRO 40 2HB PRO 40 14.508 15.278 9.316
280 HG2 PRO 40 1HG PRO 40 11.920 16.251 10.464
281 HG3 PRO 40 2HG PRO 40 13.251 17.184 9.757
282 HD2 PRO 40 1HD PRO 40 10.990 16.604 8.386
283 HD3 PRO 40 2HD PRO 40 12.573 16.754 7.597
284 H SER 41 H SER 41 10.824 14.697 10.381
285 HA SER 41 HA SER 41 9.830 12.087 10.991
286 HB2 SER 41 1HB SER 41 11.417 13.595 13.055
287 HB3 SER 41 2HB SER 41 10.125 12.495 13.537
288 HG SER 41 HG SER 41 11.902 11.239 13.476
289 H GLY 42 H GLY 42 7.769 12.135 11.886
290 HA2 GLY 42 1HA GLY 42 6.358 14.614 11.548
291 HA3 GLY 42 2HA GLY 42 5.663 13.075 12.037
292 HA PRO 43 HA PRO 43 5.442 15.861 15.698
293 HB2 PRO 43 1HB PRO 43 2.979 15.014 16.465
294 HB3 PRO 43 2HB PRO 43 3.226 16.292 15.269
295 HG2 PRO 43 1HG PRO 43 2.610 13.393 14.845
296 HG3 PRO 43 2HG PRO 43 1.936 14.812 14.022
297 HD2 PRO 43 1HD PRO 43 3.880 13.278 12.926
298 HD3 PRO 43 2HD PRO 43 3.758 15.024 12.626
299 H SER 44 H SER 44 5.834 12.630 15.124
300 HA SER 44 HA SER 44 5.183 11.106 17.213
301 HB2 SER 44 1HB SER 44 6.764 10.500 15.330
302 HB3 SER 44 2HB SER 44 8.055 11.235 16.280
303 HG SER 44 HG SER 44 7.918 9.647 17.733
304 H SER 45 H SER 45 7.918 13.382 17.288
305 HA SER 45 HA SER 45 9.201 14.125 19.041
306 HB2 SER 45 1HB SER 45 6.986 15.424 19.096
307 HB3 SER 45 2HB SER 45 6.563 14.409 20.474
308 HG SER 45 HG SER 45 7.615 16.473 20.964
309 H GLY 46 H GLY 46 9.290 11.415 19.077
310 HA2 GLY 46 1HA GLY 46 10.368 10.137 20.832
311 HA3 GLY 46 2HA GLY 46 9.231 10.843 21.971
Start of MODEL 19
1 H1 GLY 1 H GLY 1 14.009 -11.522 -2.029
2 HA2 GLY 1 1HA GLY 1 13.516 -9.931 0.182
3 HA3 GLY 1 2HA GLY 1 13.417 -8.862 -1.210
4 H SER 2 H SER 2 12.028 -11.690 0.341
5 HA SER 2 HA SER 2 9.609 -11.314 -1.301
6 HB2 SER 2 1HB SER 2 10.838 -13.491 -1.654
7 HB3 SER 2 2HB SER 2 10.462 -13.897 0.020
8 HG SER 2 HG SER 2 8.946 -14.708 -1.577
9 H SER 3 H SER 3 8.473 -9.974 0.035
10 HA SER 3 HA SER 3 8.298 -9.727 2.687
11 HB2 SER 3 1HB SER 3 6.873 -8.366 1.362
12 HB3 SER 3 2HB SER 3 6.032 -9.764 0.694
13 HG SER 3 HG SER 3 4.887 -8.616 2.390
14 H GLY 4 H GLY 4 6.697 -12.300 0.844
15 HA2 GLY 4 1HA GLY 4 6.934 -14.470 2.254
16 HA3 GLY 4 2HA GLY 4 5.906 -13.581 3.368
17 H SER 5 H SER 5 5.580 -16.079 1.642
18 HA SER 5 HA SER 5 3.483 -15.402 -0.203
19 HB2 SER 5 1HB SER 5 5.166 -17.449 -0.185
20 HB3 SER 5 2HB SER 5 3.884 -18.201 0.765
21 HG SER 5 HG SER 5 2.547 -17.246 -1.128
22 H SER 6 H SER 6 2.082 -14.268 1.281
23 HA SER 6 HA SER 6 -0.053 -15.855 2.210
24 HB2 SER 6 1HB SER 6 0.113 -15.582 4.598
25 HB3 SER 6 2HB SER 6 1.614 -16.313 4.032
26 HG SER 6 HG SER 6 2.185 -13.857 3.909
27 H GLY 7 H GLY 7 -1.618 -14.463 3.581
28 HA2 GLY 7 1HA GLY 7 -1.628 -11.788 3.909
29 HA3 GLY 7 2HA GLY 7 -1.897 -11.944 2.180
30 H THR 8 H THR 8 -3.314 -12.017 5.268
31 HA THR 8 HA THR 8 -5.636 -13.540 4.688
32 HB THR 8 HB THR 8 -6.601 -12.518 6.703
33 HG1 THR 8 HG1 THR 8 -5.939 -10.579 7.202
34 HG21 THR 8 3HG2 THR 8 -5.345 -14.296 7.397
35 HG22 THR 8 1HG2 THR 8 -4.471 -13.003 8.217
36 HG23 THR 8 2HG2 THR 8 -3.857 -13.659 6.699
37 H GLY 9 H GLY 9 -6.321 -12.746 2.634
38 HA2 GLY 9 1HA GLY 9 -7.940 -11.594 1.442
39 HA3 GLY 9 2HA GLY 9 -8.227 -10.596 2.860
40 H GLU 10 H GLU 10 -6.497 -10.919 -0.119
41 HA GLU 10 HA GLU 10 -4.556 -8.975 0.065
42 HB2 GLU 10 1HB GLU 10 -4.810 -8.689 -2.377
43 HB3 GLU 10 2HB GLU 10 -4.776 -10.380 -1.898
44 HG2 GLU 10 1HG GLU 10 -7.255 -10.406 -2.024
45 HG3 GLU 10 2HG GLU 10 -7.195 -8.763 -2.659
46 H LYS 11 H LYS 11 -4.607 -6.795 -1.062
47 HA LYS 11 HA LYS 11 -6.923 -5.304 -0.051
48 HB2 LYS 11 1HB LYS 11 -4.214 -4.253 -0.884
49 HB3 LYS 11 2HB LYS 11 -5.487 -3.345 -0.079
50 HG2 LYS 11 1HG LYS 11 -4.461 -5.786 1.260
51 HG3 LYS 11 2HG LYS 11 -3.437 -4.348 1.243
52 HD2 LYS 11 1HD LYS 11 -4.609 -3.938 3.156
53 HD3 LYS 11 2HD LYS 11 -5.704 -3.188 1.991
54 HE2 LYS 11 1HE LYS 11 -7.201 -4.477 3.125
55 HE3 LYS 11 2HE LYS 11 -6.694 -5.644 1.905
56 HZ1 LYS 11 3HZ LYS 11 -5.393 -5.465 4.558
57 HZ2 LYS 11 1HZ LYS 11 -5.301 -6.724 3.432
58 HZ3 LYS 11 2HZ LYS 11 -6.740 -6.450 4.277
59 HA PRO 12 HA PRO 12 -8.351 -4.431 -4.122
60 HB2 PRO 12 1HB PRO 12 -9.733 -2.150 -3.616
61 HB3 PRO 12 2HB PRO 12 -10.307 -3.748 -3.128
62 HG2 PRO 12 1HG PRO 12 -8.906 -1.661 -1.503
63 HG3 PRO 12 2HG PRO 12 -10.293 -2.675 -1.065
64 HD2 PRO 12 1HD PRO 12 -7.771 -3.225 -0.248
65 HD3 PRO 12 2HD PRO 12 -8.968 -4.496 -0.574
66 H TYR 13 H TYR 13 -6.546 -2.052 -2.296
67 HA TYR 13 HA TYR 13 -5.524 -0.960 -4.823
68 HB2 TYR 13 1HB TYR 13 -6.303 0.709 -2.422
69 HB3 TYR 13 2HB TYR 13 -5.577 1.311 -3.908
70 HD1 TYR 13 HD2 TYR 13 -6.895 1.036 -6.075
71 HD2 TYR 13 HD1 TYR 13 -8.630 0.501 -2.227
72 HE1 TYR 13 HE2 TYR 13 -9.133 1.347 -7.047
73 HE2 TYR 13 HE1 TYR 13 -10.873 0.809 -3.188
74 HH TYR 13 HH TYR 13 -11.313 1.425 -6.661
75 H LYS 14 H LYS 14 -3.433 -1.413 -4.867
76 HA LYS 14 HA LYS 14 -1.894 -1.216 -2.360
77 HB2 LYS 14 1HB LYS 14 -1.965 -3.509 -3.154
78 HB3 LYS 14 2HB LYS 14 -1.436 -3.005 -4.754
79 HG2 LYS 14 1HG LYS 14 0.736 -2.657 -4.077
80 HG3 LYS 14 2HG LYS 14 0.283 -2.422 -2.387
81 HD2 LYS 14 1HD LYS 14 1.286 -4.525 -2.392
82 HD3 LYS 14 2HD LYS 14 -0.438 -4.896 -2.464
83 HE2 LYS 14 1HE LYS 14 -0.232 -5.096 -4.931
84 HE3 LYS 14 2HE LYS 14 1.508 -4.866 -4.768
85 HZ1 LYS 14 3HZ LYS 14 1.332 -6.847 -3.152
86 HZ2 LYS 14 1HZ LYS 14 1.293 -7.146 -4.817
87 HZ3 LYS 14 2HZ LYS 14 -0.143 -7.154 -3.923
88 H CYS 15 H CYS 15 0.278 -0.426 -2.517
89 HA CYS 15 HA CYS 15 0.516 1.758 -4.369
90 HB2 CYS 15 1HB CYS 15 1.271 2.068 -2.088
91 HB3 CYS 15 2HB CYS 15 2.388 0.715 -2.236
92 H GLU 16 H GLU 16 2.478 2.129 -5.661
93 HA GLU 16 HA GLU 16 3.329 -0.368 -6.952
94 HB2 GLU 16 1HB GLU 16 2.165 1.535 -8.241
95 HB3 GLU 16 2HB GLU 16 3.693 2.392 -8.091
96 HG2 GLU 16 1HG GLU 16 4.022 1.417 -10.106
97 HG3 GLU 16 2HG GLU 16 4.644 0.132 -9.073
98 H GLU 17 H GLU 17 4.510 2.575 -5.453
99 HA GLU 17 HA GLU 17 7.235 2.280 -6.112
100 HB2 GLU 17 1HB GLU 17 5.787 3.741 -3.918
101 HB3 GLU 17 2HB GLU 17 7.543 3.719 -3.990
102 HG2 GLU 17 1HG GLU 17 7.190 4.528 -6.432
103 HG3 GLU 17 2HG GLU 17 5.590 4.987 -5.853
104 H CYS 18 H CYS 18 5.432 1.372 -3.180
105 HA CYS 18 HA CYS 18 7.614 -0.503 -2.537
106 HB2 CYS 18 1HB CYS 18 7.115 -0.183 -0.171
107 HB3 CYS 18 2HB CYS 18 7.491 1.362 -0.928
108 H GLY 19 H GLY 19 4.154 0.067 -2.649
109 HA2 GLY 19 1HA GLY 19 2.416 -1.429 -2.870
110 HA3 GLY 19 2HA GLY 19 3.611 -2.703 -3.058
111 H LYS 20 H LYS 20 2.440 -0.530 -0.482
112 HA LYS 20 HA LYS 20 2.929 -2.551 1.522
113 HB2 LYS 20 1HB LYS 20 3.243 -0.067 1.879
114 HB3 LYS 20 2HB LYS 20 1.491 0.081 1.870
115 HG2 LYS 20 1HG LYS 20 1.260 -1.102 3.866
116 HG3 LYS 20 2HG LYS 20 2.882 -1.789 3.752
117 HD2 LYS 20 1HD LYS 20 3.169 -0.152 5.358
118 HD3 LYS 20 2HD LYS 20 3.649 0.697 3.886
119 HE2 LYS 20 1HE LYS 20 2.236 2.188 5.032
120 HE3 LYS 20 2HE LYS 20 1.244 1.502 3.746
121 HZ1 LYS 20 3HZ LYS 20 -0.195 0.857 5.280
122 HZ2 LYS 20 1HZ LYS 20 0.792 1.452 6.518
123 HZ3 LYS 20 2HZ LYS 20 0.978 -0.140 5.981
124 H GLY 21 H GLY 21 0.127 -1.053 -0.035
125 HA2 GLY 21 1HA GLY 21 -1.850 -2.328 -0.487
126 HA3 GLY 21 2HA GLY 21 -1.495 -3.311 0.926
127 H PHE 22 H PHE 22 -3.704 -1.300 -0.148
128 HA PHE 22 HA PHE 22 -4.330 -0.311 2.535
129 HB2 PHE 22 1HB PHE 22 -4.584 1.433 0.080
130 HB3 PHE 22 2HB PHE 22 -4.885 1.897 1.751
131 HD1 PHE 22 HD1 PHE 22 -2.286 1.048 -0.706
132 HD2 PHE 22 HD2 PHE 22 -3.107 2.517 3.203
133 HE1 PHE 22 HE1 PHE 22 0.052 1.789 -0.497
134 HE2 PHE 22 HE2 PHE 22 -0.771 3.260 3.418
135 HZ PHE 22 HZ PHE 22 0.811 2.897 1.567
136 H ILE 23 H ILE 23 -6.595 0.264 2.806
137 HA ILE 23 HA ILE 23 -8.300 -1.550 1.324
138 HB ILE 23 HB ILE 23 -8.961 0.281 3.634
139 HG12 ILE 23 1HG1 ILE 23 -8.593 -2.715 3.671
140 HG13 ILE 23 2HG1 ILE 23 -7.291 -1.590 4.041
141 HG21 ILE 23 1HG2 ILE 23 -10.590 -1.452 1.928
142 HG22 ILE 23 2HG2 ILE 23 -10.814 -1.715 3.656
143 HG23 ILE 23 3HG2 ILE 23 -11.066 -0.111 2.969
144 HD11 ILE 23 3HD1 ILE 23 -8.315 -0.865 5.997
145 HD12 ILE 23 1HD1 ILE 23 -9.893 -1.484 5.513
146 HD13 ILE 23 2HD1 ILE 23 -8.612 -2.603 5.980
147 H CYS 24 H CYS 24 -8.227 1.937 2.037
148 HA CYS 24 HA CYS 24 -10.179 2.377 -0.106
149 HB2 CYS 24 1HB CYS 24 -9.184 4.229 2.069
150 HB3 CYS 24 2HB CYS 24 -10.364 4.669 0.841
151 HG CYS 24 HG CYS 24 -11.797 4.271 3.155
152 H ARG 25 H ARG 25 -9.782 4.600 -1.248
153 HA ARG 25 HA ARG 25 -7.236 4.347 -2.584
154 HB2 ARG 25 1HB ARG 25 -9.485 6.319 -3.028
155 HB3 ARG 25 2HB ARG 25 -8.101 6.086 -4.087
156 HG2 ARG 25 1HG ARG 25 -8.856 3.708 -4.380
157 HG3 ARG 25 2HG ARG 25 -10.337 4.158 -3.531
158 HD2 ARG 25 1HD ARG 25 -9.306 5.443 -6.057
159 HD3 ARG 25 2HD ARG 25 -10.596 4.244 -5.975
160 HE ARG 25 HE ARG 25 -11.055 6.581 -4.357
161 HH11 ARG 25 1HH1 ARG 25 -11.423 5.142 -7.506
162 HH12 ARG 25 2HH1 ARG 25 -12.752 6.157 -7.958
163 HH21 ARG 25 1HH2 ARG 25 -12.804 7.923 -4.941
164 HH22 ARG 25 2HH2 ARG 25 -13.536 7.740 -6.499
165 H ARG 26 H ARG 26 -8.934 6.940 -0.826
166 HA ARG 26 HA ARG 26 -7.201 8.988 -0.892
167 HB2 ARG 26 1HB ARG 26 -8.909 7.906 1.296
168 HB3 ARG 26 2HB ARG 26 -7.762 9.175 1.704
169 HG2 ARG 26 1HG ARG 26 -9.654 9.486 -0.596
170 HG3 ARG 26 2HG ARG 26 -10.153 9.841 1.060
171 HD2 ARG 26 1HD ARG 26 -7.633 11.023 -0.030
172 HD3 ARG 26 2HD ARG 26 -9.190 11.736 -0.449
173 HE ARG 26 HE ARG 26 -7.813 12.055 1.985
174 HH11 ARG 26 1HH1 ARG 26 -11.023 11.514 0.750
175 HH12 ARG 26 2HH1 ARG 26 -11.808 12.290 2.085
176 HH21 ARG 26 1HH2 ARG 26 -8.835 13.080 3.748
177 HH22 ARG 26 2HH2 ARG 26 -10.563 13.181 3.789
178 H ASP 27 H ASP 27 -6.880 6.218 1.318
179 HA ASP 27 HA ASP 27 -4.526 7.013 2.584
180 HB2 ASP 27 1HB ASP 27 -5.817 4.355 2.083
181 HB3 ASP 27 2HB ASP 27 -4.208 4.419 2.798
182 H LEU 28 H LEU 28 -5.009 5.201 -0.412
183 HA LEU 28 HA LEU 28 -2.306 4.562 -0.877
184 HB2 LEU 28 1HB LEU 28 -3.923 3.367 -2.097
185 HB3 LEU 28 2HB LEU 28 -4.694 4.843 -2.674
186 HG LEU 28 HG LEU 28 -2.774 5.277 -4.129
187 HD11 LEU 28 1HD1 LEU 28 -1.320 3.029 -4.348
188 HD12 LEU 28 2HD1 LEU 28 -1.651 3.010 -2.617
189 HD13 LEU 28 3HD1 LEU 28 -0.850 4.402 -3.346
190 HD21 LEU 28 3HD2 LEU 28 -3.194 3.536 -5.739
191 HD22 LEU 28 1HD2 LEU 28 -4.704 3.942 -4.922
192 HD23 LEU 28 2HD2 LEU 28 -3.830 2.474 -4.482
193 H TYR 29 H TYR 29 -4.305 7.132 -2.341
194 HA TYR 29 HA TYR 29 -2.260 8.402 -3.741
195 HB2 TYR 29 1HB TYR 29 -4.890 9.355 -2.645
196 HB3 TYR 29 2HB TYR 29 -3.799 10.472 -3.456
197 HD1 TYR 29 HD1 TYR 29 -5.748 7.354 -3.914
198 HD2 TYR 29 HD2 TYR 29 -3.660 10.538 -5.812
199 HE1 TYR 29 HE1 TYR 29 -6.639 6.633 -6.089
200 HE2 TYR 29 HE2 TYR 29 -4.546 9.826 -7.993
201 HH TYR 29 HH TYR 29 -6.588 6.940 -8.294
202 H THR 30 H THR 30 -3.515 9.078 -0.485
203 HA THR 30 HA THR 30 -1.834 11.246 0.096
204 HB THR 30 HB THR 30 -3.045 9.242 2.011
205 HG1 THR 30 HG1 THR 30 -3.968 11.639 0.826
206 HG21 THR 30 3HG2 THR 30 -2.824 11.716 3.261
207 HG22 THR 30 1HG2 THR 30 -1.285 11.508 2.426
208 HG23 THR 30 2HG2 THR 30 -1.837 10.288 3.574
209 H HIS 31 H HIS 31 -1.411 7.769 0.604
210 HA HIS 31 HA HIS 31 0.879 7.749 2.138
211 HB2 HIS 31 1HB HIS 31 -0.076 5.652 1.762
212 HB3 HIS 31 2HB HIS 31 -0.160 5.893 0.020
213 HD1 HIS 31 HD1 HIS 31 2.657 5.697 2.586
214 HD2 HIS 31 HD2 HIS 31 1.679 4.376 -1.230
215 HE1 HIS 31 HE1 HIS 31 4.612 4.305 1.835
216 H HIS 32 H HIS 32 0.605 8.053 -1.381
217 HA HIS 32 HA HIS 32 3.161 7.872 -2.240
218 HB2 HIS 32 1HB HIS 32 1.124 8.505 -3.603
219 HB3 HIS 32 2HB HIS 32 1.376 10.164 -3.068
220 HD1 HIS 32 HD1 HIS 32 3.837 11.162 -3.736
221 HD2 HIS 32 HD2 HIS 32 2.485 7.854 -5.856
222 HE1 HIS 32 HE1 HIS 32 5.227 11.091 -5.830
223 H MET 33 H MET 33 1.886 10.299 -0.128
224 HA MET 33 HA MET 33 3.733 12.353 -0.451
225 HB2 MET 33 1HB MET 33 2.090 11.400 1.867
226 HB3 MET 33 2HB MET 33 3.266 12.687 2.101
227 HG2 MET 33 1HG MET 33 2.064 13.739 0.026
228 HG3 MET 33 2HG MET 33 0.744 12.683 0.525
229 HE1 MET 33 3HE MET 33 -0.447 13.109 3.319
230 HE2 MET 33 1HE MET 33 1.167 12.402 3.391
231 HE3 MET 33 2HE MET 33 0.774 13.804 4.386
232 H VAL 34 H VAL 34 3.849 9.661 1.887
233 HA VAL 34 HA VAL 34 6.345 10.232 2.980
234 HB VAL 34 HB VAL 34 6.449 7.818 3.587
235 HG11 VAL 34 1HG1 VAL 34 4.034 9.494 4.116
236 HG12 VAL 34 2HG1 VAL 34 4.135 7.865 4.786
237 HG13 VAL 34 3HG1 VAL 34 5.361 9.065 5.195
238 HG21 VAL 34 3HG2 VAL 34 5.135 6.235 2.672
239 HG22 VAL 34 1HG2 VAL 34 3.733 7.302 2.590
240 HG23 VAL 34 2HG2 VAL 34 4.982 7.389 1.347
241 H HIS 35 H HIS 35 5.581 9.198 -0.151
242 HA HIS 35 HA HIS 35 8.173 7.947 -0.619
243 HB2 HIS 35 1HB HIS 35 5.604 8.127 -2.111
244 HB3 HIS 35 2HB HIS 35 7.079 7.943 -3.057
245 HD1 HIS 35 HD1 HIS 35 8.649 5.938 -1.461
246 HD2 HIS 35 HD2 HIS 35 4.542 5.643 -2.019
247 HE1 HIS 35 HE1 HIS 35 8.095 3.510 -1.112
248 H THR 36 H THR 36 6.435 10.902 -1.295
249 HA THR 36 HA THR 36 8.695 11.896 -2.888
250 HB THR 36 HB THR 36 6.500 12.119 -3.955
251 HG1 THR 36 HG1 THR 36 7.573 14.619 -3.096
252 HG21 THR 36 3HG2 THR 36 5.811 13.861 -1.586
253 HG22 THR 36 1HG2 THR 36 5.114 12.283 -1.949
254 HG23 THR 36 2HG2 THR 36 4.818 13.647 -3.027
255 H GLY 37 H GLY 37 8.523 11.638 0.111
256 HA2 GLY 37 1HA GLY 37 9.017 14.483 0.744
257 HA3 GLY 37 2HA GLY 37 8.293 13.363 1.889
258 H GLU 38 H GLU 38 9.653 11.464 2.501
259 HA GLU 38 HA GLU 38 12.300 12.403 3.176
260 HB2 GLU 38 1HB GLU 38 10.579 10.986 4.602
261 HB3 GLU 38 2HB GLU 38 11.379 9.636 3.810
262 HG2 GLU 38 1HG GLU 38 13.039 11.724 5.129
263 HG3 GLU 38 2HG GLU 38 12.208 10.528 6.123
264 H LYS 39 H LYS 39 14.179 11.792 2.288
265 HA LYS 39 HA LYS 39 14.303 10.594 -0.221
266 HB2 LYS 39 1HB LYS 39 16.053 12.035 1.005
267 HB3 LYS 39 2HB LYS 39 16.596 10.526 1.726
268 HG2 LYS 39 1HG LYS 39 17.983 10.947 -0.144
269 HG3 LYS 39 2HG LYS 39 16.896 9.632 -0.596
270 HD2 LYS 39 1HD LYS 39 16.699 10.933 -2.460
271 HD3 LYS 39 2HD LYS 39 15.422 11.651 -1.477
272 HE2 LYS 39 1HE LYS 39 17.441 13.154 -0.638
273 HE3 LYS 39 2HE LYS 39 18.092 12.724 -2.219
274 HZ1 LYS 39 3HZ LYS 39 16.855 14.362 -3.025
275 HZ2 LYS 39 1HZ LYS 39 16.028 14.572 -1.564
276 HZ3 LYS 39 2HZ LYS 39 15.483 13.431 -2.688
277 HA PRO 40 HA PRO 40 13.857 6.293 0.685
278 HB2 PRO 40 1HB PRO 40 14.772 5.325 -1.681
279 HB3 PRO 40 2HB PRO 40 13.179 6.069 -1.499
280 HG2 PRO 40 1HG PRO 40 15.717 7.261 -2.547
281 HG3 PRO 40 2HG PRO 40 14.066 7.415 -3.175
282 HD2 PRO 40 1HD PRO 40 15.242 9.342 -1.678
283 HD3 PRO 40 2HD PRO 40 13.495 9.028 -1.630
284 H SER 41 H SER 41 15.335 5.782 2.259
285 HA SER 41 HA SER 41 18.150 5.506 1.515
286 HB2 SER 41 1HB SER 41 18.585 5.298 3.903
287 HB3 SER 41 2HB SER 41 17.573 6.713 3.608
288 HG SER 41 HG SER 41 16.406 4.225 4.220
289 H GLY 42 H GLY 42 16.495 3.655 0.295
290 HA2 GLY 42 1HA GLY 42 17.424 1.180 1.588
291 HA3 GLY 42 2HA GLY 42 15.747 1.311 1.080
292 HA PRO 43 HA PRO 43 16.924 -0.365 -2.805
293 HB2 PRO 43 1HB PRO 43 14.864 0.540 -4.324
294 HB3 PRO 43 2HB PRO 43 14.687 -0.766 -3.146
295 HG2 PRO 43 1HG PRO 43 13.992 2.134 -2.878
296 HG3 PRO 43 2HG PRO 43 13.071 0.710 -2.360
297 HD2 PRO 43 1HD PRO 43 14.555 2.187 -0.644
298 HD3 PRO 43 2HD PRO 43 14.325 0.438 -0.445
299 H SER 44 H SER 44 17.509 0.244 -4.998
300 HA SER 44 HA SER 44 18.607 2.947 -5.085
301 HB2 SER 44 1HB SER 44 19.102 0.535 -6.847
302 HB3 SER 44 2HB SER 44 19.906 2.094 -7.030
303 HG SER 44 HG SER 44 20.125 0.221 -4.933
304 H SER 45 H SER 45 18.556 4.114 -7.185
305 HA SER 45 HA SER 45 16.564 3.520 -9.122
306 HB2 SER 45 1HB SER 45 15.017 5.374 -8.628
307 HB3 SER 45 2HB SER 45 15.052 4.199 -7.313
308 HG SER 45 HG SER 45 16.834 6.330 -7.160
309 H GLY 46 H GLY 46 16.205 5.468 -10.603
310 HA2 GLY 46 1HA GLY 46 18.734 6.434 -11.427
311 HA3 GLY 46 2HA GLY 46 17.180 6.942 -12.070
Start of MODEL 20
1 H1 GLY 1 H GLY 1 15.946 -13.124 5.389
2 HA2 GLY 1 1HA GLY 1 15.096 -15.543 5.422
3 HA3 GLY 1 2HA GLY 1 15.924 -15.611 6.970
4 H SER 2 H SER 2 13.269 -14.128 5.204
5 HA SER 2 HA SER 2 12.158 -13.008 7.650
6 HB2 SER 2 1HB SER 2 11.544 -12.764 4.734
7 HB3 SER 2 2HB SER 2 10.269 -12.406 5.898
8 HG SER 2 HG SER 2 12.710 -11.268 6.474
9 H SER 3 H SER 3 10.367 -13.741 8.693
10 HA SER 3 HA SER 3 9.183 -16.246 7.685
11 HB2 SER 3 1HB SER 3 10.632 -16.445 9.759
12 HB3 SER 3 2HB SER 3 9.419 -15.478 10.599
13 HG SER 3 HG SER 3 7.881 -17.119 9.930
14 H GLY 4 H GLY 4 7.217 -15.807 6.925
15 HA2 GLY 4 1HA GLY 4 5.580 -13.798 8.324
16 HA3 GLY 4 2HA GLY 4 5.354 -14.307 6.657
17 H SER 5 H SER 5 3.610 -15.503 6.355
18 HA SER 5 HA SER 5 1.837 -16.879 6.737
19 HB2 SER 5 1HB SER 5 4.083 -18.270 8.168
20 HB3 SER 5 2HB SER 5 2.450 -18.934 8.219
21 HG SER 5 HG SER 5 3.823 -18.280 5.825
22 H SER 6 H SER 6 1.766 -14.608 8.271
23 HA SER 6 HA SER 6 0.631 -15.594 10.806
24 HB2 SER 6 1HB SER 6 2.362 -13.213 10.252
25 HB3 SER 6 2HB SER 6 1.176 -13.128 11.555
26 HG SER 6 HG SER 6 3.510 -14.063 11.826
27 H GLY 7 H GLY 7 -0.900 -15.480 8.511
28 HA2 GLY 7 1HA GLY 7 -3.265 -14.562 8.974
29 HA3 GLY 7 2HA GLY 7 -2.471 -13.006 8.781
30 H THR 8 H THR 8 -4.645 -14.128 7.218
31 HA THR 8 HA THR 8 -3.331 -14.131 4.581
32 HB THR 8 HB THR 8 -5.273 -15.540 3.781
33 HG1 THR 8 HG1 THR 8 -5.619 -16.428 6.414
34 HG21 THR 8 3HG2 THR 8 -4.313 -17.650 4.615
35 HG22 THR 8 1HG2 THR 8 -3.412 -16.747 5.833
36 HG23 THR 8 2HG2 THR 8 -3.064 -16.508 4.120
37 H GLY 9 H GLY 9 -4.379 -13.028 2.915
38 HA2 GLY 9 1HA GLY 9 -6.629 -12.007 2.300
39 HA3 GLY 9 2HA GLY 9 -6.482 -11.178 3.843
40 H GLU 10 H GLU 10 -5.794 -11.063 0.538
41 HA GLU 10 HA GLU 10 -3.730 -9.011 0.865
42 HB2 GLU 10 1HB GLU 10 -3.698 -11.009 -0.849
43 HB3 GLU 10 2HB GLU 10 -4.711 -9.936 -1.804
44 HG2 GLU 10 1HG GLU 10 -2.445 -9.658 -2.493
45 HG3 GLU 10 2HG GLU 10 -2.951 -8.203 -1.637
46 H LYS 11 H LYS 11 -4.177 -6.917 0.702
47 HA LYS 11 HA LYS 11 -6.812 -5.958 0.435
48 HB2 LYS 11 1HB LYS 11 -4.206 -4.448 0.167
49 HB3 LYS 11 2HB LYS 11 -5.788 -3.721 0.412
50 HG2 LYS 11 1HG LYS 11 -5.773 -5.327 2.525
51 HG3 LYS 11 2HG LYS 11 -4.030 -5.137 2.326
52 HD2 LYS 11 1HD LYS 11 -4.121 -2.831 2.669
53 HD3 LYS 11 2HD LYS 11 -5.850 -2.754 2.323
54 HE2 LYS 11 1HE LYS 11 -4.599 -4.063 4.737
55 HE3 LYS 11 2HE LYS 11 -5.364 -2.474 4.717
56 HZ1 LYS 11 3HZ LYS 11 -7.223 -4.174 3.633
57 HZ2 LYS 11 1HZ LYS 11 -7.244 -3.522 5.194
58 HZ3 LYS 11 2HZ LYS 11 -6.565 -5.047 4.924
59 HA PRO 12 HA PRO 12 -7.365 -5.668 -3.918
60 HB2 PRO 12 1HB PRO 12 -9.151 -3.626 -4.019
61 HB3 PRO 12 2HB PRO 12 -9.578 -5.249 -3.466
62 HG2 PRO 12 1HG PRO 12 -8.924 -2.811 -1.857
63 HG3 PRO 12 2HG PRO 12 -10.208 -4.007 -1.603
64 HD2 PRO 12 1HD PRO 12 -7.894 -4.033 -0.197
65 HD3 PRO 12 2HD PRO 12 -8.778 -5.517 -0.608
66 H TYR 13 H TYR 13 -6.454 -2.828 -2.073
67 HA TYR 13 HA TYR 13 -5.445 -1.550 -4.520
68 HB2 TYR 13 1HB TYR 13 -6.185 -0.459 -1.813
69 HB3 TYR 13 2HB TYR 13 -5.206 0.468 -2.944
70 HD1 TYR 13 HD1 TYR 13 -8.162 -1.730 -3.539
71 HD2 TYR 13 HD2 TYR 13 -6.548 2.203 -3.703
72 HE1 TYR 13 HE1 TYR 13 -10.208 -0.943 -4.654
73 HE2 TYR 13 HE2 TYR 13 -8.589 3.001 -4.818
74 HH TYR 13 HH TYR 13 -10.435 2.185 -6.082
75 H LYS 14 H LYS 14 -3.325 -1.379 -4.873
76 HA LYS 14 HA LYS 14 -1.477 -1.786 -2.622
77 HB2 LYS 14 1HB LYS 14 -1.757 -3.864 -4.033
78 HB3 LYS 14 2HB LYS 14 -1.056 -2.963 -5.371
79 HG2 LYS 14 1HG LYS 14 0.977 -2.604 -3.994
80 HG3 LYS 14 2HG LYS 14 0.271 -3.648 -2.757
81 HD2 LYS 14 1HD LYS 14 0.331 -5.535 -4.180
82 HD3 LYS 14 2HD LYS 14 0.655 -4.543 -5.604
83 HE2 LYS 14 1HE LYS 14 2.587 -4.465 -3.340
84 HE3 LYS 14 2HE LYS 14 2.577 -5.882 -4.389
85 HZ1 LYS 14 3HZ LYS 14 3.806 -3.448 -4.863
86 HZ2 LYS 14 1HZ LYS 14 2.510 -3.527 -5.947
87 HZ3 LYS 14 2HZ LYS 14 3.673 -4.755 -5.928
88 H CYS 15 H CYS 15 0.514 -0.722 -2.775
89 HA CYS 15 HA CYS 15 0.463 1.635 -4.461
90 HB2 CYS 15 1HB CYS 15 1.096 2.016 -2.190
91 HB3 CYS 15 2HB CYS 15 2.293 0.726 -2.240
92 H GLU 16 H GLU 16 2.034 2.208 -5.966
93 HA GLU 16 HA GLU 16 3.302 -0.035 -7.285
94 HB2 GLU 16 1HB GLU 16 2.077 2.001 -8.371
95 HB3 GLU 16 2HB GLU 16 3.619 2.817 -8.152
96 HG2 GLU 16 1HG GLU 16 4.689 1.517 -9.699
97 HG3 GLU 16 2HG GLU 16 3.591 0.155 -9.476
98 H GLU 17 H GLU 17 4.255 2.841 -5.497
99 HA GLU 17 HA GLU 17 7.000 2.795 -6.042
100 HB2 GLU 17 1HB GLU 17 5.431 3.799 -3.672
101 HB3 GLU 17 2HB GLU 17 7.176 3.980 -3.786
102 HG2 GLU 17 1HG GLU 17 5.224 5.033 -5.818
103 HG3 GLU 17 2HG GLU 17 5.901 5.980 -4.495
104 H CYS 18 H CYS 18 5.345 1.586 -3.118
105 HA CYS 18 HA CYS 18 7.538 -0.360 -2.810
106 HB2 CYS 18 1HB CYS 18 7.080 -0.279 -0.370
107 HB3 CYS 18 2HB CYS 18 7.615 1.269 -1.017
108 H GLY 19 H GLY 19 4.079 0.217 -2.622
109 HA2 GLY 19 1HA GLY 19 2.329 -1.260 -2.891
110 HA3 GLY 19 2HA GLY 19 3.507 -2.518 -3.231
111 H LYS 20 H LYS 20 1.973 -0.704 -0.610
112 HA LYS 20 HA LYS 20 2.735 -2.791 1.292
113 HB2 LYS 20 1HB LYS 20 2.966 -0.300 1.793
114 HB3 LYS 20 2HB LYS 20 1.211 -0.260 1.899
115 HG2 LYS 20 1HG LYS 20 1.230 -1.796 3.742
116 HG3 LYS 20 2HG LYS 20 2.971 -2.035 3.577
117 HD2 LYS 20 1HD LYS 20 2.886 -0.507 5.298
118 HD3 LYS 20 2HD LYS 20 3.061 0.558 3.902
119 HE2 LYS 20 1HE LYS 20 0.488 0.614 3.893
120 HE3 LYS 20 2HE LYS 20 0.610 -0.035 5.527
121 HZ1 LYS 20 3HZ LYS 20 0.446 2.396 5.485
122 HZ2 LYS 20 1HZ LYS 20 1.889 2.481 4.604
123 HZ3 LYS 20 2HZ LYS 20 1.896 1.874 6.183
124 H GLY 21 H GLY 21 -0.228 -0.989 0.428
125 HA2 GLY 21 1HA GLY 21 -2.085 -2.592 -0.276
126 HA3 GLY 21 2HA GLY 21 -1.782 -3.346 1.282
127 H PHE 22 H PHE 22 -3.974 -1.574 -0.164
128 HA PHE 22 HA PHE 22 -4.769 -0.253 2.312
129 HB2 PHE 22 1HB PHE 22 -4.753 1.216 -0.330
130 HB3 PHE 22 2HB PHE 22 -5.247 1.860 1.232
131 HD1 PHE 22 HD1 PHE 22 -2.389 0.794 -0.811
132 HD2 PHE 22 HD2 PHE 22 -3.641 2.610 2.830
133 HE1 PHE 22 HE1 PHE 22 -0.087 1.564 -0.407
134 HE2 PHE 22 HE2 PHE 22 -1.341 3.383 3.239
135 HZ PHE 22 HZ PHE 22 0.439 2.862 1.619
136 H ILE 23 H ILE 23 -7.051 0.781 1.923
137 HA ILE 23 HA ILE 23 -8.640 -1.024 0.225
138 HB ILE 23 HB ILE 23 -10.415 -0.946 2.011
139 HG12 ILE 23 1HG1 ILE 23 -9.180 -0.631 4.354
140 HG13 ILE 23 2HG1 ILE 23 -8.191 0.469 3.400
141 HG21 ILE 23 1HG2 ILE 23 -8.644 -2.795 1.562
142 HG22 ILE 23 2HG2 ILE 23 -7.972 -2.270 3.106
143 HG23 ILE 23 3HG2 ILE 23 -9.629 -2.867 3.023
144 HD11 ILE 23 3HD1 ILE 23 -9.796 2.013 3.309
145 HD12 ILE 23 1HD1 ILE 23 -11.063 0.821 3.014
146 HD13 ILE 23 2HD1 ILE 23 -10.506 1.128 4.660
147 H CYS 24 H CYS 24 -7.693 1.778 -0.093
148 HA CYS 24 HA CYS 24 -10.073 2.872 -1.157
149 HB2 CYS 24 1HB CYS 24 -10.214 3.280 1.418
150 HB3 CYS 24 2HB CYS 24 -9.025 4.538 1.107
151 HG CYS 24 HG CYS 24 -11.783 4.577 -0.834
152 H ARG 25 H ARG 25 -9.668 5.274 -1.797
153 HA ARG 25 HA ARG 25 -7.063 5.329 -3.080
154 HB2 ARG 25 1HB ARG 25 -9.576 6.957 -3.387
155 HB3 ARG 25 2HB ARG 25 -8.070 7.433 -4.159
156 HG2 ARG 25 1HG ARG 25 -9.007 6.244 -5.852
157 HG3 ARG 25 2HG ARG 25 -8.138 4.945 -5.032
158 HD2 ARG 25 1HD ARG 25 -10.393 4.235 -5.558
159 HD3 ARG 25 2HD ARG 25 -10.191 4.367 -3.811
160 HE ARG 25 HE ARG 25 -11.203 6.787 -4.575
161 HH11 ARG 25 1HH1 ARG 25 -12.199 3.469 -4.927
162 HH12 ARG 25 2HH1 ARG 25 -13.891 3.842 -4.931
163 HH21 ARG 25 1HH2 ARG 25 -13.428 7.289 -4.580
164 HH22 ARG 25 2HH2 ARG 25 -14.589 6.015 -4.734
165 H ARG 26 H ARG 26 -9.014 7.805 -1.403
166 HA ARG 26 HA ARG 26 -7.274 9.774 -0.976
167 HB2 ARG 26 1HB ARG 26 -9.614 9.506 0.005
168 HB3 ARG 26 2HB ARG 26 -8.844 8.683 1.354
169 HG2 ARG 26 1HG ARG 26 -7.910 11.398 0.534
170 HG3 ARG 26 2HG ARG 26 -9.366 11.215 1.515
171 HD2 ARG 26 1HD ARG 26 -8.026 9.874 3.131
172 HD3 ARG 26 2HD ARG 26 -6.588 10.254 2.184
173 HE ARG 26 HE ARG 26 -6.611 12.389 3.044
174 HH11 ARG 26 1HH1 ARG 26 -9.579 10.756 3.848
175 HH12 ARG 26 2HH1 ARG 26 -10.098 11.973 4.967
176 HH21 ARG 26 1HH2 ARG 26 -7.283 13.998 4.515
177 HH22 ARG 26 2HH2 ARG 26 -8.792 13.817 5.345
178 H ASP 27 H ASP 27 -7.403 6.895 1.121
179 HA ASP 27 HA ASP 27 -5.132 7.603 2.655
180 HB2 ASP 27 1HB ASP 27 -7.038 5.850 3.103
181 HB3 ASP 27 2HB ASP 27 -5.945 4.746 2.272
182 H LEU 28 H LEU 28 -5.569 5.486 -0.153
183 HA LEU 28 HA LEU 28 -2.990 4.449 -0.306
184 HB2 LEU 28 1HB LEU 28 -4.592 3.458 -1.683
185 HB3 LEU 28 2HB LEU 28 -5.102 5.005 -2.356
186 HG LEU 28 HG LEU 28 -3.071 5.137 -3.673
187 HD11 LEU 28 1HD1 LEU 28 -1.233 4.076 -3.041
188 HD12 LEU 28 2HD1 LEU 28 -2.003 2.537 -3.423
189 HD13 LEU 28 3HD1 LEU 28 -2.133 3.207 -1.797
190 HD21 LEU 28 3HD2 LEU 28 -4.411 2.446 -3.926
191 HD22 LEU 28 1HD2 LEU 28 -3.467 3.254 -5.178
192 HD23 LEU 28 2HD2 LEU 28 -4.986 3.961 -4.625
193 H TYR 29 H TYR 29 -4.305 7.209 -2.149
194 HA TYR 29 HA TYR 29 -1.923 8.025 -3.320
195 HB2 TYR 29 1HB TYR 29 -4.488 9.405 -2.647
196 HB3 TYR 29 2HB TYR 29 -3.125 10.374 -3.195
197 HD1 TYR 29 HD2 TYR 29 -2.126 9.908 -5.451
198 HD2 TYR 29 HD1 TYR 29 -5.772 8.128 -4.170
199 HE1 TYR 29 HE2 TYR 29 -2.678 9.370 -7.787
200 HE2 TYR 29 HE1 TYR 29 -6.334 7.584 -6.502
201 HH TYR 29 HH TYR 29 -5.777 8.334 -8.753
202 H THR 30 H THR 30 -3.470 9.562 -0.494
203 HA THR 30 HA THR 30 -1.675 11.349 0.322
204 HB THR 30 HB THR 30 -2.897 9.306 2.188
205 HG1 THR 30 HG1 THR 30 -4.600 10.771 2.313
206 HG21 THR 30 3HG2 THR 30 -1.557 10.355 3.674
207 HG22 THR 30 1HG2 THR 30 -2.777 11.624 3.584
208 HG23 THR 30 2HG2 THR 30 -1.305 11.746 2.620
209 H HIS 31 H HIS 31 -1.361 7.887 1.114
210 HA HIS 31 HA HIS 31 0.969 7.878 2.526
211 HB2 HIS 31 1HB HIS 31 0.092 5.764 2.336
212 HB3 HIS 31 2HB HIS 31 -0.269 5.950 0.622
213 HD1 HIS 31 HD1 HIS 31 2.987 5.943 2.611
214 HD2 HIS 31 HD2 HIS 31 1.267 4.223 -0.757
215 HE1 HIS 31 HE1 HIS 31 4.767 4.464 1.628
216 H HIS 32 H HIS 32 0.720 7.741 -1.025
217 HA HIS 32 HA HIS 32 3.238 7.531 -1.876
218 HB2 HIS 32 1HB HIS 32 1.182 8.112 -3.256
219 HB3 HIS 32 2HB HIS 32 1.519 9.799 -2.880
220 HD1 HIS 32 HD1 HIS 32 2.172 10.572 -5.188
221 HD2 HIS 32 HD2 HIS 32 4.316 7.241 -3.937
222 HE1 HIS 32 HE1 HIS 32 3.985 10.257 -6.902
223 H MET 33 H MET 33 1.948 10.306 -0.169
224 HA MET 33 HA MET 33 3.793 12.260 -0.588
225 HB2 MET 33 1HB MET 33 2.405 11.419 1.947
226 HB3 MET 33 2HB MET 33 3.457 12.827 1.896
227 HG2 MET 33 1HG MET 33 0.953 12.393 0.286
228 HG3 MET 33 2HG MET 33 1.163 13.501 1.640
229 HE1 MET 33 3HE MET 33 1.025 13.602 -2.288
230 HE2 MET 33 1HE MET 33 -0.084 14.078 -1.001
231 HE3 MET 33 2HE MET 33 0.741 15.311 -1.954
232 H VAL 34 H VAL 34 4.117 9.586 1.738
233 HA VAL 34 HA VAL 34 6.574 10.228 2.827
234 HB VAL 34 HB VAL 34 6.845 7.889 3.384
235 HG11 VAL 34 1HG1 VAL 34 5.326 8.804 4.851
236 HG12 VAL 34 2HG1 VAL 34 4.120 9.088 3.594
237 HG13 VAL 34 3HG1 VAL 34 4.400 7.453 4.196
238 HG21 VAL 34 3HG2 VAL 34 4.903 6.363 2.452
239 HG22 VAL 34 1HG2 VAL 34 4.965 7.507 1.111
240 HG23 VAL 34 2HG2 VAL 34 6.404 6.588 1.554
241 H HIS 35 H HIS 35 5.833 8.783 -0.274
242 HA HIS 35 HA HIS 35 8.533 8.023 -0.864
243 HB2 HIS 35 1HB HIS 35 6.058 8.274 -2.577
244 HB3 HIS 35 2HB HIS 35 7.615 7.745 -3.208
245 HD1 HIS 35 HD1 HIS 35 8.562 5.747 -1.213
246 HD2 HIS 35 HD2 HIS 35 4.570 6.038 -2.327
247 HE1 HIS 35 HE1 HIS 35 7.551 3.506 -0.683
248 H THR 36 H THR 36 6.531 10.838 -1.412
249 HA THR 36 HA THR 36 8.555 12.073 -3.112
250 HB THR 36 HB THR 36 6.959 13.918 -3.371
251 HG1 THR 36 HG1 THR 36 4.904 13.740 -2.372
252 HG21 THR 36 3HG2 THR 36 6.620 11.266 -4.269
253 HG22 THR 36 1HG2 THR 36 6.032 12.747 -5.024
254 HG23 THR 36 2HG2 THR 36 5.013 11.877 -3.877
255 H GLY 37 H GLY 37 8.960 11.513 -0.200
256 HA2 GLY 37 1HA GLY 37 9.230 14.263 0.817
257 HA3 GLY 37 2HA GLY 37 9.250 12.808 1.802
258 H GLU 38 H GLU 38 11.196 14.061 2.622
259 HA GLU 38 HA GLU 38 13.549 13.894 0.931
260 HB2 GLU 38 1HB GLU 38 13.029 15.793 2.570
261 HB3 GLU 38 2HB GLU 38 13.495 14.670 3.840
262 HG2 GLU 38 1HG GLU 38 15.702 14.707 3.261
263 HG3 GLU 38 2HG GLU 38 15.367 15.089 1.573
264 H LYS 39 H LYS 39 12.522 11.395 1.298
265 HA LYS 39 HA LYS 39 13.536 9.968 3.503
266 HB2 LYS 39 1HB LYS 39 13.145 7.961 2.145
267 HB3 LYS 39 2HB LYS 39 11.781 9.068 2.063
268 HG2 LYS 39 1HG LYS 39 12.879 9.929 -0.096
269 HG3 LYS 39 2HG LYS 39 13.820 8.437 -0.034
270 HD2 LYS 39 1HD LYS 39 11.572 7.241 0.204
271 HD3 LYS 39 2HD LYS 39 10.845 8.768 -0.300
272 HE2 LYS 39 1HE LYS 39 12.239 8.704 -2.345
273 HE3 LYS 39 2HE LYS 39 12.848 7.127 -1.847
274 HZ1 LYS 39 3HZ LYS 39 9.966 7.690 -2.254
275 HZ2 LYS 39 1HZ LYS 39 10.711 6.181 -2.072
276 HZ3 LYS 39 2HZ LYS 39 10.969 7.088 -3.476
277 HA PRO 40 HA PRO 40 17.846 9.752 2.619
278 HB2 PRO 40 1HB PRO 40 18.459 7.553 4.088
279 HB3 PRO 40 2HB PRO 40 18.108 9.125 4.814
280 HG2 PRO 40 1HG PRO 40 16.318 6.748 4.485
281 HG3 PRO 40 2HG PRO 40 16.512 7.818 5.886
282 HD2 PRO 40 1HD PRO 40 14.447 8.050 4.150
283 HD3 PRO 40 2HD PRO 40 15.151 9.448 4.989
284 H SER 41 H SER 41 17.593 9.237 0.361
285 HA SER 41 HA SER 41 17.032 6.756 -0.725
286 HB2 SER 41 1HB SER 41 17.558 9.099 -1.834
287 HB3 SER 41 2HB SER 41 19.177 8.418 -1.983
288 HG SER 41 HG SER 41 18.430 7.422 -3.664
289 H GLY 42 H GLY 42 18.627 5.314 -1.888
290 HA2 GLY 42 1HA GLY 42 21.044 4.635 -1.852
291 HA3 GLY 42 2HA GLY 42 20.929 4.804 -0.107
292 HA PRO 43 HA PRO 43 19.986 0.519 0.109
293 HB2 PRO 43 1HB PRO 43 18.776 0.458 2.539
294 HB3 PRO 43 2HB PRO 43 20.520 0.665 2.339
295 HG2 PRO 43 1HG PRO 43 18.414 2.730 2.844
296 HG3 PRO 43 2HG PRO 43 20.024 2.574 3.569
297 HD2 PRO 43 1HD PRO 43 19.491 4.318 1.567
298 HD3 PRO 43 2HD PRO 43 21.073 3.533 1.754
299 H SER 44 H SER 44 18.340 -0.848 -0.396
300 HA SER 44 HA SER 44 15.742 0.367 -0.926
301 HB2 SER 44 1HB SER 44 15.295 -1.770 -2.156
302 HB3 SER 44 2HB SER 44 16.698 -0.887 -2.758
303 HG SER 44 HG SER 44 17.946 -2.476 -2.162
304 H SER 45 H SER 45 14.639 0.462 0.973
305 HA SER 45 HA SER 45 14.425 -1.970 2.594
306 HB2 SER 45 1HB SER 45 13.901 0.938 3.122
307 HB3 SER 45 2HB SER 45 13.144 -0.290 4.136
308 HG SER 45 HG SER 45 15.867 -0.567 3.662
309 H GLY 46 H GLY 46 12.293 -2.593 3.419
310 HA2 GLY 46 1HA GLY 46 10.099 -1.850 1.591
311 HA3 GLY 46 2HA GLY 46 10.439 -3.535 1.953