Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505630 | 2ytg RC | 10186 | 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 23.923 -18.887 -5.955
2 HA2 GLY 1 1HA GLY 1 21.648 -20.339 -5.017
3 HA3 GLY 1 2HA GLY 1 22.400 -18.961 -4.228
4 H SER 2 H SER 2 19.643 -19.330 -4.271
5 HA SER 2 HA SER 2 18.838 -16.896 -5.647
6 HB2 SER 2 1HB SER 2 16.855 -17.952 -6.659
7 HB3 SER 2 2HB SER 2 18.345 -18.656 -7.287
8 HG SER 2 HG SER 2 18.006 -20.461 -6.084
9 H SER 3 H SER 3 17.785 -15.690 -4.229
10 HA SER 3 HA SER 3 15.900 -16.935 -2.377
11 HB2 SER 3 1HB SER 3 18.259 -15.241 -1.554
12 HB3 SER 3 2HB SER 3 16.849 -15.466 -0.520
13 HG SER 3 HG SER 3 17.386 -17.851 -1.115
14 H GLY 4 H GLY 4 14.446 -15.376 -1.360
15 HA2 GLY 4 1HA GLY 4 14.398 -12.651 -2.208
16 HA3 GLY 4 2HA GLY 4 13.267 -13.625 -3.136
17 H SER 5 H SER 5 12.995 -11.440 -1.035
18 HA SER 5 HA SER 5 11.609 -12.794 1.119
19 HB2 SER 5 1HB SER 5 12.196 -9.905 0.499
20 HB3 SER 5 2HB SER 5 11.096 -10.362 1.799
21 HG SER 5 HG SER 5 12.799 -10.692 2.964
22 H SER 6 H SER 6 9.386 -12.177 1.707
23 HA SER 6 HA SER 6 7.667 -11.091 -0.326
24 HB2 SER 6 1HB SER 6 6.408 -13.031 -0.852
25 HB3 SER 6 2HB SER 6 8.095 -13.518 -1.007
26 HG SER 6 HG SER 6 7.445 -15.068 0.280
27 H GLY 7 H GLY 7 5.755 -10.368 0.505
28 HA2 GLY 7 1HA GLY 7 5.512 -9.908 3.231
29 HA3 GLY 7 2HA GLY 7 4.186 -9.803 2.082
30 H THR 8 H THR 8 4.046 -10.694 4.811
31 HA THR 8 HA THR 8 3.494 -13.563 4.505
32 HB THR 8 HB THR 8 3.572 -11.977 7.077
33 HG1 THR 8 HG1 THR 8 5.590 -13.177 5.555
34 HG21 THR 8 3HG2 THR 8 2.296 -14.088 7.143
35 HG22 THR 8 1HG2 THR 8 3.749 -14.157 8.140
36 HG23 THR 8 2HG2 THR 8 3.721 -14.951 6.565
37 H GLY 9 H GLY 9 1.466 -14.019 3.952
38 HA2 GLY 9 1HA GLY 9 -0.816 -14.147 4.896
39 HA3 GLY 9 2HA GLY 9 -0.694 -12.417 5.182
40 H GLU 10 H GLU 10 -2.068 -11.417 3.870
41 HA GLU 10 HA GLU 10 -1.726 -11.430 1.069
42 HB2 GLU 10 1HB GLU 10 -4.139 -12.306 0.636
43 HB3 GLU 10 2HB GLU 10 -2.824 -13.456 0.832
44 HG2 GLU 10 1HG GLU 10 -4.542 -12.627 3.141
45 HG3 GLU 10 2HG GLU 10 -5.018 -13.924 2.046
46 H LYS 11 H LYS 11 -2.558 -9.605 0.219
47 HA LYS 11 HA LYS 11 -4.650 -8.187 1.717
48 HB2 LYS 11 1HB LYS 11 -2.089 -6.966 0.672
49 HB3 LYS 11 2HB LYS 11 -3.441 -6.053 1.329
50 HG2 LYS 11 1HG LYS 11 -2.069 -6.164 3.152
51 HG3 LYS 11 2HG LYS 11 -3.075 -7.590 3.415
52 HD2 LYS 11 1HD LYS 11 -1.344 -8.991 2.385
53 HD3 LYS 11 2HD LYS 11 -0.338 -7.561 2.141
54 HE2 LYS 11 1HE LYS 11 -1.338 -8.298 4.868
55 HE3 LYS 11 2HE LYS 11 0.102 -9.062 4.196
56 HZ1 LYS 11 3HZ LYS 11 1.010 -6.792 3.856
57 HZ2 LYS 11 1HZ LYS 11 0.780 -7.198 5.483
58 HZ3 LYS 11 2HZ LYS 11 -0.315 -6.169 4.705
59 HA PRO 12 HA PRO 12 -6.517 -7.711 -2.240
60 HB2 PRO 12 1HB PRO 12 -8.120 -5.584 -1.710
61 HB3 PRO 12 2HB PRO 12 -8.450 -7.211 -1.103
62 HG2 PRO 12 1HG PRO 12 -7.181 -4.888 0.296
63 HG3 PRO 12 2HG PRO 12 -8.391 -6.034 0.902
64 HD2 PRO 12 1HD PRO 12 -5.760 -6.237 1.508
65 HD3 PRO 12 2HD PRO 12 -6.816 -7.656 1.348
66 H PHE 13 H PHE 13 -4.633 -5.231 -0.758
67 HA PHE 13 HA PHE 13 -4.419 -3.838 -3.346
68 HB2 PHE 13 1HB PHE 13 -3.786 -2.571 -0.688
69 HB3 PHE 13 2HB PHE 13 -4.085 -1.781 -2.233
70 HD1 PHE 13 HD1 PHE 13 -6.491 -2.324 -3.247
71 HD2 PHE 13 HD2 PHE 13 -5.453 -2.502 0.877
72 HE1 PHE 13 HE1 PHE 13 -8.859 -2.038 -2.642
73 HE2 PHE 13 HE2 PHE 13 -7.819 -2.218 1.489
74 HZ PHE 13 HZ PHE 13 -9.526 -1.986 -0.272
75 H LYS 14 H LYS 14 -2.394 -3.330 -4.121
76 HA LYS 14 HA LYS 14 -0.036 -3.908 -2.540
77 HB2 LYS 14 1HB LYS 14 -0.682 -6.108 -3.500
78 HB3 LYS 14 2HB LYS 14 -0.554 -5.414 -5.111
79 HG2 LYS 14 1HG LYS 14 1.846 -4.894 -4.585
80 HG3 LYS 14 2HG LYS 14 1.652 -5.856 -3.118
81 HD2 LYS 14 1HD LYS 14 0.988 -7.786 -4.506
82 HD3 LYS 14 2HD LYS 14 1.266 -6.816 -5.954
83 HE2 LYS 14 1HE LYS 14 3.603 -6.605 -5.425
84 HE3 LYS 14 2HE LYS 14 3.365 -7.404 -3.871
85 HZ1 LYS 14 3HZ LYS 14 3.987 -8.587 -6.300
86 HZ2 LYS 14 1HZ LYS 14 2.397 -9.047 -5.951
87 HZ3 LYS 14 2HZ LYS 14 3.631 -9.362 -4.839
88 H CYS 15 H CYS 15 1.863 -3.001 -3.385
89 HA CYS 15 HA CYS 15 1.377 -0.896 -5.348
90 HB2 CYS 15 1HB CYS 15 2.434 -0.015 -3.452
91 HB3 CYS 15 2HB CYS 15 3.515 -1.396 -3.298
92 H GLY 16 H GLY 16 1.761 -1.345 -7.412
93 HA2 GLY 16 1HA GLY 16 3.643 -3.450 -8.127
94 HA3 GLY 16 2HA GLY 16 2.543 -2.620 -9.217
95 H GLU 17 H GLU 17 4.800 -1.077 -6.994
96 HA GLU 17 HA GLU 17 6.353 -0.151 -9.320
97 HB2 GLU 17 1HB GLU 17 5.614 1.457 -6.868
98 HB3 GLU 17 2HB GLU 17 6.646 2.012 -8.179
99 HG2 GLU 17 1HG GLU 17 4.420 2.923 -8.403
100 HG3 GLU 17 2HG GLU 17 4.774 1.825 -9.736
101 H CYS 18 H CYS 18 6.333 -1.078 -5.943
102 HA CYS 18 HA CYS 18 9.241 -1.472 -6.095
103 HB2 CYS 18 1HB CYS 18 9.599 -0.583 -3.926
104 HB3 CYS 18 2HB CYS 18 8.588 0.592 -4.761
105 H GLY 19 H GLY 19 6.201 -2.308 -4.489
106 HA2 GLY 19 1HA GLY 19 5.710 -4.731 -4.405
107 HA3 GLY 19 2HA GLY 19 7.372 -4.953 -3.879
108 H LYS 20 H LYS 20 4.901 -2.617 -2.846
109 HA LYS 20 HA LYS 20 5.144 -3.719 -0.123
110 HB2 LYS 20 1HB LYS 20 5.070 -0.884 -1.091
111 HB3 LYS 20 2HB LYS 20 4.463 -1.272 0.513
112 HG2 LYS 20 1HG LYS 20 6.778 -2.488 0.745
113 HG3 LYS 20 2HG LYS 20 7.241 -1.372 -0.542
114 HD2 LYS 20 1HD LYS 20 7.750 -0.094 1.286
115 HD3 LYS 20 2HD LYS 20 6.069 0.387 1.043
116 HE2 LYS 20 1HE LYS 20 6.254 -0.055 3.343
117 HE3 LYS 20 2HE LYS 20 5.467 -1.479 2.664
118 HZ1 LYS 20 3HZ LYS 20 7.045 -2.579 3.781
119 HZ2 LYS 20 1HZ LYS 20 8.053 -1.228 3.924
120 HZ3 LYS 20 2HZ LYS 20 8.064 -2.144 2.503
121 H SER 21 H SER 21 3.331 -4.694 0.467
122 HA SER 21 HA SER 21 0.787 -3.835 -0.702
123 HB2 SER 21 1HB SER 21 -0.097 -5.965 -0.011
124 HB3 SER 21 2HB SER 21 1.464 -6.256 -0.777
125 HG SER 21 HG SER 21 2.078 -7.135 1.017
126 H TYR 22 H TYR 22 -1.107 -3.651 0.668
127 HA TYR 22 HA TYR 22 -0.627 -3.193 3.505
128 HB2 TYR 22 1HB TYR 22 -1.797 -1.051 1.717
129 HB3 TYR 22 2HB TYR 22 -1.616 -0.957 3.465
130 HD1 TYR 22 HD1 TYR 22 0.586 -0.635 4.473
131 HD2 TYR 22 HD2 TYR 22 0.101 -0.760 0.248
132 HE1 TYR 22 HE1 TYR 22 2.830 0.331 4.193
133 HE2 TYR 22 HE2 TYR 22 2.344 0.204 -0.044
134 HH TYR 22 HH TYR 22 4.137 1.516 2.586
135 H ASN 23 H ASN 23 -2.282 -3.894 4.695
136 HA ASN 23 HA ASN 23 -4.389 -5.348 3.747
137 HB2 ASN 23 1HB ASN 23 -5.520 -4.801 5.966
138 HB3 ASN 23 2HB ASN 23 -3.901 -5.488 6.062
139 HD21 ASN 23 1HD2 ASN 23 -2.481 -4.478 7.287
140 HD22 ASN 23 2HD2 ASN 23 -2.610 -2.852 7.857
141 H GLN 24 H GLN 24 -4.363 -1.879 4.474
142 HA GLN 24 HA GLN 24 -7.043 -1.639 3.303
143 HB2 GLN 24 1HB GLN 24 -5.451 0.015 5.211
144 HB3 GLN 24 2HB GLN 24 -6.659 0.813 4.213
145 HG2 GLN 24 1HG GLN 24 -7.354 -1.610 5.822
146 HG3 GLN 24 2HG GLN 24 -7.323 -0.007 6.555
147 HE21 GLN 24 1HE2 GLN 24 -9.385 -2.157 5.501
148 HE22 GLN 24 2HE2 GLN 24 -10.609 -1.157 4.803
149 H ARG 25 H ARG 25 -7.419 0.345 1.959
150 HA ARG 25 HA ARG 25 -5.375 0.467 -0.095
151 HB2 ARG 25 1HB ARG 25 -7.052 1.664 -1.409
152 HB3 ARG 25 2HB ARG 25 -7.724 0.183 -0.740
153 HG2 ARG 25 1HG ARG 25 -8.901 1.409 0.950
154 HG3 ARG 25 2HG ARG 25 -8.112 2.912 0.466
155 HD2 ARG 25 1HD ARG 25 -9.296 3.014 -1.553
156 HD3 ARG 25 2HD ARG 25 -9.768 1.318 -1.461
157 HE ARG 25 HE ARG 25 -11.145 3.535 -0.329
158 HH11 ARG 25 1HH1 ARG 25 -10.399 0.171 0.168
159 HH12 ARG 25 2HH1 ARG 25 -11.817 -0.139 1.113
160 HH21 ARG 25 1HH2 ARG 25 -13.016 3.140 0.915
161 HH22 ARG 25 2HH2 ARG 25 -13.306 1.551 1.537
162 H VAL 26 H VAL 26 -6.505 2.371 2.537
163 HA VAL 26 HA VAL 26 -5.586 4.904 1.577
164 HB VAL 26 HB VAL 26 -7.293 4.951 3.234
165 HG11 VAL 26 1HG1 VAL 26 -5.907 2.753 4.327
166 HG12 VAL 26 2HG1 VAL 26 -5.958 4.002 5.573
167 HG13 VAL 26 3HG1 VAL 26 -7.455 3.426 4.838
168 HG21 VAL 26 3HG2 VAL 26 -5.444 6.668 3.351
169 HG22 VAL 26 1HG2 VAL 26 -6.397 6.465 4.821
170 HG23 VAL 26 2HG2 VAL 26 -4.790 5.747 4.705
171 H HIS 27 H HIS 27 -4.081 2.178 2.997
172 HA HIS 27 HA HIS 27 -1.781 3.689 3.951
173 HB2 HIS 27 1HB HIS 27 -2.673 0.839 4.157
174 HB3 HIS 27 2HB HIS 27 -0.972 1.226 4.396
175 HD1 HIS 27 HD1 HIS 27 -2.747 0.112 6.682
176 HD2 HIS 27 HD2 HIS 27 -1.979 4.143 6.033
177 HE1 HIS 27 HE1 HIS 27 -3.113 1.232 8.903
178 H LEU 28 H LEU 28 -2.834 2.294 1.085
179 HA LEU 28 HA LEU 28 -0.146 1.678 0.121
180 HB2 LEU 28 1HB LEU 28 -1.674 0.037 -0.531
181 HB3 LEU 28 2HB LEU 28 -2.910 1.224 -0.943
182 HG LEU 28 HG LEU 28 -1.499 1.902 -2.892
183 HD11 LEU 28 1HD1 LEU 28 0.656 1.136 -2.106
184 HD12 LEU 28 2HD1 LEU 28 0.249 0.333 -3.622
185 HD13 LEU 28 3HD1 LEU 28 0.088 -0.534 -2.095
186 HD21 LEU 28 3HD2 LEU 28 -2.160 -1.027 -2.986
187 HD22 LEU 28 1HD2 LEU 28 -2.269 0.169 -4.277
188 HD23 LEU 28 2HD2 LEU 28 -3.408 0.219 -2.931
189 H THR 29 H THR 29 -2.923 3.702 -0.817
190 HA THR 29 HA THR 29 -1.712 5.062 -2.924
191 HB THR 29 HB THR 29 -4.169 5.123 -2.221
192 HG1 THR 29 HG1 THR 29 -4.376 6.881 -3.460
193 HG21 THR 29 3HG2 THR 29 -4.896 6.785 -0.698
194 HG22 THR 29 1HG2 THR 29 -3.287 7.499 -0.593
195 HG23 THR 29 2HG2 THR 29 -3.599 5.917 0.121
196 H GLN 30 H GLN 30 -1.688 5.748 0.542
197 HA GLN 30 HA GLN 30 -0.350 8.246 0.327
198 HB2 GLN 30 1HB GLN 30 -0.876 6.329 2.574
199 HB3 GLN 30 2HB GLN 30 0.199 7.700 2.814
200 HG2 GLN 30 1HG GLN 30 -1.801 9.058 1.821
201 HG3 GLN 30 2HG GLN 30 -2.737 7.654 2.330
202 HE21 GLN 30 1HE2 GLN 30 -2.359 10.563 3.258
203 HE22 GLN 30 2HE2 GLN 30 -2.195 10.411 4.971
204 H HIS 31 H HIS 31 0.694 5.013 0.068
205 HA HIS 31 HA HIS 31 3.449 5.603 0.794
206 HB2 HIS 31 1HB HIS 31 2.987 3.457 1.490
207 HB3 HIS 31 2HB HIS 31 1.902 3.138 0.140
208 HD1 HIS 31 HD1 HIS 31 5.632 3.570 0.744
209 HD2 HIS 31 HD2 HIS 31 3.003 1.591 -1.792
210 HE1 HIS 31 HE1 HIS 31 7.073 2.116 -0.717
211 H GLN 32 H GLN 32 1.534 4.850 -2.076
212 HA GLN 32 HA GLN 32 3.590 4.602 -3.935
213 HB2 GLN 32 1HB GLN 32 0.791 5.685 -4.276
214 HB3 GLN 32 2HB GLN 32 1.872 5.323 -5.615
215 HG2 GLN 32 1HG GLN 32 1.834 3.018 -5.163
216 HG3 GLN 32 2HG GLN 32 1.115 3.263 -3.572
217 HE21 GLN 32 1HE2 GLN 32 0.115 1.527 -5.553
218 HE22 GLN 32 2HE2 GLN 32 -1.443 2.101 -6.030
219 H ARG 33 H ARG 33 2.676 7.312 -2.143
220 HA ARG 33 HA ARG 33 3.090 9.444 -3.874
221 HB2 ARG 33 1HB ARG 33 3.325 9.047 -0.935
222 HB3 ARG 33 2HB ARG 33 4.054 10.496 -1.615
223 HG2 ARG 33 1HG ARG 33 1.796 10.903 -2.729
224 HG3 ARG 33 2HG ARG 33 1.173 9.671 -1.630
225 HD2 ARG 33 1HD ARG 33 0.784 11.636 -0.466
226 HD3 ARG 33 2HD ARG 33 2.312 11.080 0.214
227 HE ARG 33 HE ARG 33 3.289 12.971 -0.597
228 HH11 ARG 33 1HH1 ARG 33 0.357 12.388 -2.381
229 HH12 ARG 33 2HH1 ARG 33 0.461 13.861 -3.287
230 HH21 ARG 33 1HH2 ARG 33 3.436 14.914 -1.782
231 HH22 ARG 33 2HH2 ARG 33 2.213 15.297 -2.946
232 H VAL 34 H VAL 34 5.410 7.410 -2.198
233 HA VAL 34 HA VAL 34 7.707 8.981 -2.689
234 HB VAL 34 HB VAL 34 9.005 7.067 -2.081
235 HG11 VAL 34 1HG1 VAL 34 8.143 7.883 -0.119
236 HG12 VAL 34 2HG1 VAL 34 6.476 7.519 -0.571
237 HG13 VAL 34 3HG1 VAL 34 7.557 6.221 -0.061
238 HG21 VAL 34 3HG2 VAL 34 7.774 5.478 -3.573
239 HG22 VAL 34 1HG2 VAL 34 8.174 4.831 -1.982
240 HG23 VAL 34 2HG2 VAL 34 6.530 5.366 -2.328
241 H HIS 35 H HIS 35 5.771 7.104 -4.754
242 HA HIS 35 HA HIS 35 7.925 6.813 -6.726
243 HB2 HIS 35 1HB HIS 35 5.137 5.656 -6.858
244 HB3 HIS 35 2HB HIS 35 6.518 5.227 -7.862
245 HD1 HIS 35 HD1 HIS 35 8.668 4.672 -5.835
246 HD2 HIS 35 HD2 HIS 35 4.722 3.480 -5.310
247 HE1 HIS 35 HE1 HIS 35 8.754 2.760 -4.203
248 H THR 36 H THR 36 5.854 9.112 -5.883
249 HA THR 36 HA THR 36 5.736 10.200 -8.578
250 HB THR 36 HB THR 36 3.351 10.826 -8.373
251 HG1 THR 36 HG1 THR 36 2.218 9.392 -6.727
252 HG21 THR 36 3HG2 THR 36 2.419 8.522 -8.722
253 HG22 THR 36 1HG2 THR 36 3.997 7.881 -8.265
254 HG23 THR 36 2HG2 THR 36 3.838 8.895 -9.700
255 H GLY 37 H GLY 37 6.572 12.170 -8.422
256 HA2 GLY 37 1HA GLY 37 5.601 14.308 -7.051
257 HA3 GLY 37 2HA GLY 37 6.688 13.552 -5.896
258 H GLU 38 H GLU 38 8.693 12.676 -7.639
259 HA GLU 38 HA GLU 38 10.208 15.054 -7.916
260 HB2 GLU 38 1HB GLU 38 11.908 13.582 -8.964
261 HB3 GLU 38 2HB GLU 38 11.313 12.961 -7.431
262 HG2 GLU 38 1HG GLU 38 9.652 11.639 -8.963
263 HG3 GLU 38 2HG GLU 38 10.885 11.933 -10.188
264 H LYS 39 H LYS 39 11.492 15.318 -10.107
265 HA LYS 39 HA LYS 39 9.613 15.190 -12.361
266 HB2 LYS 39 1HB LYS 39 10.726 17.532 -12.933
267 HB3 LYS 39 2HB LYS 39 9.291 17.412 -11.924
268 HG2 LYS 39 1HG LYS 39 11.947 17.319 -10.599
269 HG3 LYS 39 2HG LYS 39 11.369 18.868 -11.217
270 HD2 LYS 39 1HD LYS 39 9.497 17.219 -9.598
271 HD3 LYS 39 2HD LYS 39 10.812 18.046 -8.760
272 HE2 LYS 39 1HE LYS 39 10.061 20.164 -9.459
273 HE3 LYS 39 2HE LYS 39 8.999 19.473 -10.684
274 HZ1 LYS 39 3HZ LYS 39 8.175 20.284 -8.279
275 HZ2 LYS 39 1HZ LYS 39 8.452 18.646 -7.963
276 HZ3 LYS 39 2HZ LYS 39 7.383 19.100 -9.192
277 HA PRO 40 HA PRO 40 13.093 13.648 -14.573
278 HB2 PRO 40 1HB PRO 40 12.279 14.202 -17.103
279 HB3 PRO 40 2HB PRO 40 11.581 12.899 -16.133
280 HG2 PRO 40 1HG PRO 40 10.533 15.659 -16.633
281 HG3 PRO 40 2HG PRO 40 9.660 14.115 -16.621
282 HD2 PRO 40 1HD PRO 40 9.622 15.827 -14.523
283 HD3 PRO 40 2HD PRO 40 9.524 14.066 -14.320
284 H SER 41 H SER 41 12.108 16.945 -14.706
285 HA SER 41 HA SER 41 14.504 17.733 -16.194
286 HB2 SER 41 1HB SER 41 12.241 19.492 -15.225
287 HB3 SER 41 2HB SER 41 13.494 19.918 -16.391
288 HG SER 41 HG SER 41 12.421 18.918 -17.903
289 H GLY 42 H GLY 42 12.786 18.867 -13.273
290 HA2 GLY 42 1HA GLY 42 13.651 19.331 -11.169
291 HA3 GLY 42 2HA GLY 42 15.237 18.839 -11.745
292 HA PRO 43 HA PRO 43 15.325 23.422 -11.154
293 HB2 PRO 43 1HB PRO 43 17.767 23.449 -9.969
294 HB3 PRO 43 2HB PRO 43 16.267 23.188 -9.072
295 HG2 PRO 43 1HG PRO 43 18.260 21.182 -10.055
296 HG3 PRO 43 2HG PRO 43 17.428 21.258 -8.491
297 HD2 PRO 43 1HD PRO 43 16.640 19.599 -10.481
298 HD3 PRO 43 2HD PRO 43 15.496 20.321 -9.330
299 H SER 44 H SER 44 15.485 23.375 -13.520
300 HA SER 44 HA SER 44 17.870 22.809 -14.897
301 HB2 SER 44 1HB SER 44 15.515 23.126 -15.860
302 HB3 SER 44 2HB SER 44 15.846 24.857 -15.796
303 HG SER 44 HG SER 44 16.789 22.951 -17.526
304 H SER 45 H SER 45 19.697 23.922 -15.189
305 HA SER 45 HA SER 45 20.006 26.456 -13.806
306 HB2 SER 45 1HB SER 45 21.845 24.395 -14.921
307 HB3 SER 45 2HB SER 45 22.449 26.048 -14.810
308 HG SER 45 HG SER 45 21.142 24.999 -12.582
309 H GLY 46 H GLY 46 18.310 26.666 -15.997
310 HA2 GLY 46 1HA GLY 46 17.960 27.873 -17.922
311 HA3 GLY 46 2HA GLY 46 19.247 28.904 -17.315
Start of MODEL 2
1 H1 GLY 1 H GLY 1 17.129 -20.771 -0.167
2 HA2 GLY 1 1HA GLY 1 16.413 -19.281 -1.932
3 HA3 GLY 1 2HA GLY 1 15.503 -20.617 -2.622
4 H SER 2 H SER 2 14.910 -17.792 -1.468
5 HA SER 2 HA SER 2 13.291 -17.982 0.772
6 HB2 SER 2 1HB SER 2 13.179 -16.151 -1.621
7 HB3 SER 2 2HB SER 2 12.069 -15.979 -0.262
8 HG SER 2 HG SER 2 13.886 -15.711 1.092
9 H SER 3 H SER 3 11.301 -18.731 1.185
10 HA SER 3 HA SER 3 9.625 -19.558 -1.091
11 HB2 SER 3 1HB SER 3 10.469 -21.133 1.312
12 HB3 SER 3 2HB SER 3 8.884 -21.436 0.602
13 HG SER 3 HG SER 3 10.069 -22.726 -0.605
14 H GLY 4 H GLY 4 8.820 -17.305 -0.497
15 HA2 GLY 4 1HA GLY 4 7.386 -15.899 0.682
16 HA3 GLY 4 2HA GLY 4 6.297 -17.242 0.370
17 H SER 5 H SER 5 5.109 -17.111 2.230
18 HA SER 5 HA SER 5 6.174 -18.352 4.546
19 HB2 SER 5 1HB SER 5 7.128 -16.038 4.786
20 HB3 SER 5 2HB SER 5 5.477 -15.428 4.890
21 HG SER 5 HG SER 5 6.909 -17.019 6.706
22 H SER 6 H SER 6 4.545 -18.401 6.344
23 HA SER 6 HA SER 6 1.809 -18.128 5.285
24 HB2 SER 6 1HB SER 6 3.002 -20.389 6.894
25 HB3 SER 6 2HB SER 6 1.264 -20.164 6.699
26 HG SER 6 HG SER 6 1.505 -21.206 4.899
27 H GLY 7 H GLY 7 0.130 -17.891 6.926
28 HA2 GLY 7 1HA GLY 7 -0.295 -17.563 9.353
29 HA3 GLY 7 2HA GLY 7 1.175 -16.601 9.372
30 H THR 8 H THR 8 1.144 -14.709 7.788
31 HA THR 8 HA THR 8 -1.252 -13.184 8.332
32 HB THR 8 HB THR 8 1.250 -12.337 6.857
33 HG1 THR 8 HG1 THR 8 1.334 -13.006 9.214
34 HG21 THR 8 3HG2 THR 8 -1.245 -11.075 7.092
35 HG22 THR 8 1HG2 THR 8 0.265 -10.365 6.524
36 HG23 THR 8 2HG2 THR 8 -0.179 -10.248 8.227
37 H GLY 9 H GLY 9 -2.931 -13.711 7.035
38 HA2 GLY 9 1HA GLY 9 -2.969 -14.695 4.494
39 HA3 GLY 9 2HA GLY 9 -4.209 -13.617 5.117
40 H GLU 10 H GLU 10 -3.425 -13.734 2.412
41 HA GLU 10 HA GLU 10 -1.548 -11.771 1.690
42 HB2 GLU 10 1HB GLU 10 -2.678 -11.794 -0.515
43 HB3 GLU 10 2HB GLU 10 -2.308 -13.406 0.081
44 HG2 GLU 10 1HG GLU 10 -4.440 -13.673 -0.724
45 HG3 GLU 10 2HG GLU 10 -4.735 -13.357 0.985
46 H LYS 11 H LYS 11 -2.315 -9.811 0.293
47 HA LYS 11 HA LYS 11 -4.306 -8.329 1.882
48 HB2 LYS 11 1HB LYS 11 -1.764 -7.413 0.547
49 HB3 LYS 11 2HB LYS 11 -3.016 -6.283 1.045
50 HG2 LYS 11 1HG LYS 11 -1.689 -6.215 2.886
51 HG3 LYS 11 2HG LYS 11 -2.749 -7.549 3.347
52 HD2 LYS 11 1HD LYS 11 -1.085 -9.150 2.535
53 HD3 LYS 11 2HD LYS 11 -0.027 -7.816 2.069
54 HE2 LYS 11 1HE LYS 11 -1.003 -8.255 4.883
55 HE3 LYS 11 2HE LYS 11 0.510 -8.919 4.269
56 HZ1 LYS 11 3HZ LYS 11 0.187 -6.099 3.782
57 HZ2 LYS 11 1HZ LYS 11 1.513 -6.945 4.406
58 HZ3 LYS 11 2HZ LYS 11 0.238 -6.499 5.425
59 HA PRO 12 HA PRO 12 -6.713 -7.840 -1.769
60 HB2 PRO 12 1HB PRO 12 -8.066 -5.580 -1.108
61 HB3 PRO 12 2HB PRO 12 -8.411 -7.154 -0.380
62 HG2 PRO 12 1HG PRO 12 -6.787 -4.883 0.700
63 HG3 PRO 12 2HG PRO 12 -7.967 -5.911 1.534
64 HD2 PRO 12 1HD PRO 12 -5.295 -6.290 1.750
65 HD3 PRO 12 2HD PRO 12 -6.457 -7.630 1.818
66 H PHE 13 H PHE 13 -4.530 -5.380 -0.668
67 HA PHE 13 HA PHE 13 -4.526 -4.200 -3.368
68 HB2 PHE 13 1HB PHE 13 -3.736 -2.753 -0.838
69 HB3 PHE 13 2HB PHE 13 -3.983 -2.063 -2.439
70 HD1 PHE 13 HD1 PHE 13 -6.444 -2.699 -3.410
71 HD2 PHE 13 HD2 PHE 13 -5.371 -2.298 0.689
72 HE1 PHE 13 HE1 PHE 13 -8.792 -2.225 -2.846
73 HE2 PHE 13 HE2 PHE 13 -7.716 -1.824 1.260
74 HZ PHE 13 HZ PHE 13 -9.431 -1.788 -0.508
75 H LYS 14 H LYS 14 -2.422 -3.234 -3.997
76 HA LYS 14 HA LYS 14 -0.047 -4.102 -2.638
77 HB2 LYS 14 1HB LYS 14 -0.799 -6.172 -3.831
78 HB3 LYS 14 2HB LYS 14 -0.626 -5.303 -5.350
79 HG2 LYS 14 1HG LYS 14 1.804 -4.886 -4.527
80 HG3 LYS 14 2HG LYS 14 1.479 -6.258 -3.465
81 HD2 LYS 14 1HD LYS 14 1.013 -7.678 -5.338
82 HD3 LYS 14 2HD LYS 14 1.081 -6.312 -6.454
83 HE2 LYS 14 1HE LYS 14 3.454 -6.958 -4.759
84 HE3 LYS 14 2HE LYS 14 3.128 -7.918 -6.202
85 HZ1 LYS 14 3HZ LYS 14 2.935 -5.592 -7.309
86 HZ2 LYS 14 1HZ LYS 14 4.461 -6.268 -7.031
87 HZ3 LYS 14 2HZ LYS 14 3.860 -5.081 -5.987
88 H CYS 15 H CYS 15 1.825 -3.106 -3.417
89 HA CYS 15 HA CYS 15 1.314 -0.804 -5.130
90 HB2 CYS 15 1HB CYS 15 2.460 -0.171 -3.182
91 HB3 CYS 15 2HB CYS 15 3.532 -1.566 -3.249
92 H GLY 16 H GLY 16 1.488 -1.190 -7.248
93 HA2 GLY 16 1HA GLY 16 3.339 -3.172 -8.265
94 HA3 GLY 16 2HA GLY 16 2.208 -2.216 -9.210
95 H GLU 17 H GLU 17 4.624 -0.986 -6.949
96 HA GLU 17 HA GLU 17 6.064 0.185 -9.237
97 HB2 GLU 17 1HB GLU 17 5.514 1.494 -6.568
98 HB3 GLU 17 2HB GLU 17 6.488 2.183 -7.859
99 HG2 GLU 17 1HG GLU 17 4.282 3.166 -7.841
100 HG3 GLU 17 2HG GLU 17 4.530 2.233 -9.316
101 H CYS 18 H CYS 18 6.286 -0.768 -5.826
102 HA CYS 18 HA CYS 18 9.137 -1.366 -6.272
103 HB2 CYS 18 1HB CYS 18 9.651 -0.696 -4.037
104 HB3 CYS 18 2HB CYS 18 8.703 0.602 -4.756
105 H GLY 19 H GLY 19 6.206 -2.222 -4.474
106 HA2 GLY 19 1HA GLY 19 5.695 -4.677 -4.617
107 HA3 GLY 19 2HA GLY 19 7.350 -4.917 -4.076
108 H LYS 20 H LYS 20 5.201 -2.418 -2.861
109 HA LYS 20 HA LYS 20 5.318 -3.712 -0.223
110 HB2 LYS 20 1HB LYS 20 5.199 -0.857 -1.109
111 HB3 LYS 20 2HB LYS 20 4.556 -1.290 0.470
112 HG2 LYS 20 1HG LYS 20 6.895 -2.489 0.705
113 HG3 LYS 20 2HG LYS 20 7.359 -1.292 -0.507
114 HD2 LYS 20 1HD LYS 20 6.713 0.509 0.917
115 HD3 LYS 20 2HD LYS 20 5.955 -0.596 2.067
116 HE2 LYS 20 1HE LYS 20 8.146 -1.565 2.571
117 HE3 LYS 20 2HE LYS 20 8.900 -0.461 1.421
118 HZ1 LYS 20 3HZ LYS 20 9.073 1.004 3.053
119 HZ2 LYS 20 1HZ LYS 20 8.247 -0.012 4.124
120 HZ3 LYS 20 2HZ LYS 20 7.387 1.083 3.165
121 H SER 21 H SER 21 3.540 -4.873 0.145
122 HA SER 21 HA SER 21 0.970 -3.995 -0.915
123 HB2 SER 21 1HB SER 21 1.259 -6.457 0.756
124 HB3 SER 21 2HB SER 21 0.230 -6.168 -0.646
125 HG SER 21 HG SER 21 1.965 -7.558 -1.154
126 H TYR 22 H TYR 22 -0.892 -3.743 0.399
127 HA TYR 22 HA TYR 22 -0.432 -3.435 3.274
128 HB2 TYR 22 1HB TYR 22 -1.648 -1.302 1.508
129 HB3 TYR 22 2HB TYR 22 -1.588 -1.249 3.266
130 HD1 TYR 22 HD2 TYR 22 0.550 -1.332 0.231
131 HD2 TYR 22 HD1 TYR 22 0.301 -0.402 4.375
132 HE1 TYR 22 HE2 TYR 22 2.759 -0.256 0.116
133 HE2 TYR 22 HE1 TYR 22 2.509 0.678 4.271
134 HH TYR 22 HH TYR 22 4.323 0.859 1.220
135 H ASN 23 H ASN 23 -2.403 -3.349 4.532
136 HA ASN 23 HA ASN 23 -4.387 -5.150 3.511
137 HB2 ASN 23 1HB ASN 23 -5.464 -4.738 5.773
138 HB3 ASN 23 2HB ASN 23 -3.832 -5.398 5.811
139 HD21 ASN 23 1HD2 ASN 23 -5.846 -3.093 7.057
140 HD22 ASN 23 2HD2 ASN 23 -4.666 -2.014 7.709
141 H GLN 24 H GLN 24 -4.249 -1.708 4.284
142 HA GLN 24 HA GLN 24 -6.961 -1.394 3.188
143 HB2 GLN 24 1HB GLN 24 -5.386 0.131 5.219
144 HB3 GLN 24 2HB GLN 24 -6.604 0.981 4.278
145 HG2 GLN 24 1HG GLN 24 -8.134 -1.002 5.019
146 HG3 GLN 24 2HG GLN 24 -6.935 -1.179 6.299
147 HE21 GLN 24 1HE2 GLN 24 -9.820 -0.245 6.162
148 HE22 GLN 24 2HE2 GLN 24 -9.816 1.242 7.041
149 H ARG 25 H ARG 25 -7.379 0.386 1.763
150 HA ARG 25 HA ARG 25 -5.275 0.757 -0.156
151 HB2 ARG 25 1HB ARG 25 -6.962 2.016 -1.430
152 HB3 ARG 25 2HB ARG 25 -7.573 0.453 -0.904
153 HG2 ARG 25 1HG ARG 25 -8.699 1.606 0.993
154 HG3 ARG 25 2HG ARG 25 -8.199 3.144 0.286
155 HD2 ARG 25 1HD ARG 25 -9.360 2.336 -1.842
156 HD3 ARG 25 2HD ARG 25 -10.095 1.098 -0.825
157 HE ARG 25 HE ARG 25 -10.712 3.919 -0.859
158 HH11 ARG 25 1HH1 ARG 25 -10.917 0.924 0.904
159 HH12 ARG 25 2HH1 ARG 25 -12.269 1.429 1.862
160 HH21 ARG 25 1HH2 ARG 25 -12.491 4.596 0.397
161 HH22 ARG 25 2HH2 ARG 25 -13.164 3.518 1.573
162 H VAL 26 H VAL 26 -6.926 2.755 2.235
163 HA VAL 26 HA VAL 26 -5.901 5.250 1.499
164 HB VAL 26 HB VAL 26 -7.702 5.078 3.105
165 HG11 VAL 26 1HG1 VAL 26 -7.121 4.373 5.475
166 HG12 VAL 26 2HG1 VAL 26 -7.245 3.084 4.276
167 HG13 VAL 26 3HG1 VAL 26 -5.660 3.659 4.794
168 HG21 VAL 26 3HG2 VAL 26 -5.594 6.814 3.274
169 HG22 VAL 26 1HG2 VAL 26 -7.116 6.970 4.151
170 HG23 VAL 26 2HG2 VAL 26 -5.722 6.220 4.929
171 H HIS 27 H HIS 27 -4.337 2.544 2.869
172 HA HIS 27 HA HIS 27 -2.128 4.136 3.929
173 HB2 HIS 27 1HB HIS 27 -2.899 1.240 4.125
174 HB3 HIS 27 2HB HIS 27 -1.260 1.754 4.512
175 HD1 HIS 27 HD1 HIS 27 -3.304 0.555 6.592
176 HD2 HIS 27 HD2 HIS 27 -2.476 4.590 6.047
177 HE1 HIS 27 HE1 HIS 27 -3.917 1.667 8.763
178 H LEU 28 H LEU 28 -2.973 2.134 1.226
179 HA LEU 28 HA LEU 28 -0.283 1.703 0.327
180 HB2 LEU 28 1HB LEU 28 -1.920 0.091 -0.288
181 HB3 LEU 28 2HB LEU 28 -2.973 1.330 -0.968
182 HG LEU 28 HG LEU 28 -1.154 1.711 -2.703
183 HD11 LEU 28 1HD1 LEU 28 -0.197 -0.928 -1.602
184 HD12 LEU 28 2HD1 LEU 28 0.670 0.607 -1.540
185 HD13 LEU 28 3HD1 LEU 28 0.364 -0.171 -3.093
186 HD21 LEU 28 3HD2 LEU 28 -2.548 0.553 -3.982
187 HD22 LEU 28 1HD2 LEU 28 -3.248 -0.175 -2.536
188 HD23 LEU 28 2HD2 LEU 28 -1.901 -0.965 -3.357
189 H THR 29 H THR 29 -2.968 3.786 -0.721
190 HA THR 29 HA THR 29 -1.720 5.048 -2.853
191 HB THR 29 HB THR 29 -4.142 5.278 -2.193
192 HG1 THR 29 HG1 THR 29 -2.711 6.811 -3.593
193 HG21 THR 29 3HG2 THR 29 -4.751 7.054 -0.645
194 HG22 THR 29 1HG2 THR 29 -3.049 7.382 -0.321
195 HG23 THR 29 2HG2 THR 29 -3.762 5.847 0.175
196 H GLN 30 H GLN 30 -1.654 5.876 0.591
197 HA GLN 30 HA GLN 30 -0.226 8.281 0.362
198 HB2 GLN 30 1HB GLN 30 -0.558 6.286 2.584
199 HB3 GLN 30 2HB GLN 30 0.487 7.688 2.776
200 HG2 GLN 30 1HG GLN 30 -2.463 7.715 2.184
201 HG3 GLN 30 2HG GLN 30 -1.687 8.138 3.709
202 HE21 GLN 30 1HE2 GLN 30 -0.588 10.087 3.887
203 HE22 GLN 30 2HE2 GLN 30 -0.791 11.367 2.745
204 H HIS 31 H HIS 31 0.832 4.935 0.530
205 HA HIS 31 HA HIS 31 3.599 5.516 0.878
206 HB2 HIS 31 1HB HIS 31 3.048 3.357 1.542
207 HB3 HIS 31 2HB HIS 31 2.021 3.078 0.139
208 HD1 HIS 31 HD1 HIS 31 5.730 3.578 0.844
209 HD2 HIS 31 HD2 HIS 31 3.199 1.520 -1.728
210 HE1 HIS 31 HE1 HIS 31 7.234 2.157 -0.584
211 H GLN 32 H GLN 32 1.702 4.467 -1.952
212 HA GLN 32 HA GLN 32 3.638 4.399 -3.872
213 HB2 GLN 32 1HB GLN 32 0.837 5.497 -4.156
214 HB3 GLN 32 2HB GLN 32 1.877 5.044 -5.499
215 HG2 GLN 32 1HG GLN 32 1.865 2.746 -4.805
216 HG3 GLN 32 2HG GLN 32 0.971 3.155 -3.341
217 HE21 GLN 32 1HE2 GLN 32 0.122 1.240 -5.178
218 HE22 GLN 32 2HE2 GLN 32 -1.337 1.794 -5.919
219 H ARG 33 H ARG 33 2.493 7.161 -2.176
220 HA ARG 33 HA ARG 33 2.920 9.263 -3.881
221 HB2 ARG 33 1HB ARG 33 3.671 9.114 -0.955
222 HB3 ARG 33 2HB ARG 33 3.501 10.599 -1.882
223 HG2 ARG 33 1HG ARG 33 1.213 8.695 -1.755
224 HG3 ARG 33 2HG ARG 33 1.554 9.739 -0.374
225 HD2 ARG 33 1HD ARG 33 1.209 10.739 -3.195
226 HD3 ARG 33 2HD ARG 33 -0.097 10.665 -2.013
227 HE ARG 33 HE ARG 33 2.157 12.092 -1.013
228 HH11 ARG 33 1HH1 ARG 33 -0.627 12.360 -3.088
229 HH12 ARG 33 2HH1 ARG 33 -0.764 14.077 -2.899
230 HH21 ARG 33 1HH2 ARG 33 1.986 14.352 -0.758
231 HH22 ARG 33 2HH2 ARG 33 0.723 15.209 -1.575
232 H VAL 34 H VAL 34 5.363 7.610 -1.895
233 HA VAL 34 HA VAL 34 7.572 9.152 -2.577
234 HB VAL 34 HB VAL 34 8.956 7.329 -1.876
235 HG11 VAL 34 1HG1 VAL 34 6.561 8.058 -0.393
236 HG12 VAL 34 2HG1 VAL 34 7.227 6.500 0.101
237 HG13 VAL 34 3HG1 VAL 34 8.236 7.946 0.146
238 HG21 VAL 34 3HG2 VAL 34 7.792 5.610 -3.274
239 HG22 VAL 34 1HG2 VAL 34 8.219 5.069 -1.651
240 HG23 VAL 34 2HG2 VAL 34 6.554 5.515 -2.022
241 H HIS 35 H HIS 35 5.846 6.798 -4.436
242 HA HIS 35 HA HIS 35 7.976 6.537 -6.402
243 HB2 HIS 35 1HB HIS 35 5.176 5.394 -6.452
244 HB3 HIS 35 2HB HIS 35 6.510 4.943 -7.510
245 HD1 HIS 35 HD1 HIS 35 8.729 4.579 -5.410
246 HD2 HIS 35 HD2 HIS 35 4.863 3.113 -5.000
247 HE1 HIS 35 HE1 HIS 35 8.903 2.671 -3.781
248 H THR 36 H THR 36 4.862 8.103 -6.010
249 HA THR 36 HA THR 36 4.648 8.953 -8.736
250 HB THR 36 HB THR 36 2.753 10.263 -8.034
251 HG1 THR 36 HG1 THR 36 3.751 11.047 -6.056
252 HG21 THR 36 3HG2 THR 36 2.185 7.979 -8.223
253 HG22 THR 36 1HG2 THR 36 1.475 8.510 -6.699
254 HG23 THR 36 2HG2 THR 36 2.971 7.575 -6.697
255 H GLY 37 H GLY 37 5.755 10.540 -9.664
256 HA2 GLY 37 1HA GLY 37 6.067 13.115 -8.634
257 HA3 GLY 37 2HA GLY 37 7.531 12.223 -8.249
258 H GLU 38 H GLU 38 8.455 13.970 -9.632
259 HA GLU 38 HA GLU 38 8.231 13.274 -12.487
260 HB2 GLU 38 1HB GLU 38 8.837 15.533 -13.035
261 HB3 GLU 38 2HB GLU 38 7.510 15.585 -11.882
262 HG2 GLU 38 1HG GLU 38 9.112 16.029 -10.079
263 HG3 GLU 38 2HG GLU 38 10.422 16.023 -11.259
264 H LYS 39 H LYS 39 9.980 12.510 -13.486
265 HA LYS 39 HA LYS 39 12.613 12.926 -12.243
266 HB2 LYS 39 1HB LYS 39 11.369 10.347 -13.157
267 HB3 LYS 39 2HB LYS 39 13.116 10.538 -13.098
268 HG2 LYS 39 1HG LYS 39 12.764 9.644 -11.041
269 HG3 LYS 39 2HG LYS 39 12.589 11.355 -10.643
270 HD2 LYS 39 1HD LYS 39 10.725 10.431 -9.633
271 HD3 LYS 39 2HD LYS 39 10.077 10.949 -11.191
272 HE2 LYS 39 1HE LYS 39 9.241 8.808 -11.027
273 HE3 LYS 39 2HE LYS 39 10.721 8.542 -11.948
274 HZ1 LYS 39 3HZ LYS 39 10.644 6.910 -10.259
275 HZ2 LYS 39 1HZ LYS 39 10.279 8.045 -9.059
276 HZ3 LYS 39 2HZ LYS 39 11.812 8.032 -9.773
277 HA PRO 40 HA PRO 40 13.869 14.168 -16.275
278 HB2 PRO 40 1HB PRO 40 16.543 13.759 -16.042
279 HB3 PRO 40 2HB PRO 40 15.704 15.100 -15.254
280 HG2 PRO 40 1HG PRO 40 16.567 12.471 -14.110
281 HG3 PRO 40 2HG PRO 40 16.688 14.093 -13.403
282 HD2 PRO 40 1HD PRO 40 14.741 12.343 -12.710
283 HD3 PRO 40 2HD PRO 40 14.484 14.099 -12.727
284 H SER 41 H SER 41 15.304 11.146 -15.054
285 HA SER 41 HA SER 41 14.511 9.692 -17.380
286 HB2 SER 41 1HB SER 41 17.330 10.662 -17.136
287 HB3 SER 41 2HB SER 41 17.043 9.058 -17.809
288 HG SER 41 HG SER 41 15.463 10.231 -19.211
289 H GLY 42 H GLY 42 15.742 7.444 -17.336
290 HA2 GLY 42 1HA GLY 42 15.733 6.587 -14.510
291 HA3 GLY 42 2HA GLY 42 15.195 5.584 -15.849
292 HA PRO 43 HA PRO 43 19.498 4.278 -14.855
293 HB2 PRO 43 1HB PRO 43 19.008 1.632 -15.212
294 HB3 PRO 43 2HB PRO 43 18.705 2.467 -13.684
295 HG2 PRO 43 1HG PRO 43 16.782 1.738 -15.859
296 HG3 PRO 43 2HG PRO 43 16.587 1.603 -14.102
297 HD2 PRO 43 1HD PRO 43 15.509 3.632 -15.536
298 HD3 PRO 43 2HD PRO 43 16.065 3.835 -13.862
299 H SER 44 H SER 44 20.176 5.280 -16.820
300 HA SER 44 HA SER 44 20.925 3.442 -18.850
301 HB2 SER 44 1HB SER 44 18.654 3.694 -19.632
302 HB3 SER 44 2HB SER 44 18.766 5.450 -19.529
303 HG SER 44 HG SER 44 19.721 5.482 -21.401
304 H SER 45 H SER 45 22.408 4.332 -20.346
305 HA SER 45 HA SER 45 23.980 6.442 -19.318
306 HB2 SER 45 1HB SER 45 24.925 4.613 -20.671
307 HB3 SER 45 2HB SER 45 24.036 5.197 -22.078
308 HG SER 45 HG SER 45 25.670 7.019 -20.750
309 H GLY 46 H GLY 46 24.148 8.567 -19.855
310 HA2 GLY 46 1HA GLY 46 22.441 9.585 -22.023
311 HA3 GLY 46 2HA GLY 46 22.272 10.262 -20.410
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -3.127 -24.612 -10.975
2 HA2 GLY 1 1HA GLY 1 -1.408 -24.082 -13.104
3 HA3 GLY 1 2HA GLY 1 -2.085 -22.863 -12.035
4 H SER 2 H SER 2 -0.907 -22.253 -10.151
5 HA SER 2 HA SER 2 1.935 -23.019 -10.204
6 HB2 SER 2 1HB SER 2 1.676 -20.796 -11.219
7 HB3 SER 2 2HB SER 2 0.833 -20.230 -9.778
8 HG SER 2 HG SER 2 3.538 -21.037 -10.012
9 H SER 3 H SER 3 2.886 -23.386 -8.266
10 HA SER 3 HA SER 3 1.225 -23.828 -6.006
11 HB2 SER 3 1HB SER 3 4.205 -23.931 -6.441
12 HB3 SER 3 2HB SER 3 3.495 -24.204 -4.850
13 HG SER 3 HG SER 3 3.700 -26.177 -5.863
14 H GLY 4 H GLY 4 0.613 -22.463 -4.466
15 HA2 GLY 4 1HA GLY 4 2.312 -20.139 -3.868
16 HA3 GLY 4 2HA GLY 4 0.615 -19.883 -4.249
17 H SER 5 H SER 5 2.415 -22.178 -2.195
18 HA SER 5 HA SER 5 0.366 -22.037 -0.170
19 HB2 SER 5 1HB SER 5 1.860 -24.077 -0.855
20 HB3 SER 5 2HB SER 5 3.023 -23.362 0.261
21 HG SER 5 HG SER 5 1.133 -23.341 1.772
22 H SER 6 H SER 6 3.836 -21.239 -0.311
23 HA SER 6 HA SER 6 4.387 -20.290 2.129
24 HB2 SER 6 1HB SER 6 5.839 -20.158 0.032
25 HB3 SER 6 2HB SER 6 5.052 -18.613 -0.292
26 HG SER 6 HG SER 6 6.796 -18.063 0.875
27 H GLY 7 H GLY 7 2.990 -19.280 3.443
28 HA2 GLY 7 1HA GLY 7 1.088 -17.354 2.555
29 HA3 GLY 7 2HA GLY 7 1.477 -17.732 4.226
30 H THR 8 H THR 8 2.598 -15.912 1.404
31 HA THR 8 HA THR 8 4.477 -14.350 2.882
32 HB THR 8 HB THR 8 4.560 -12.922 0.844
33 HG1 THR 8 HG1 THR 8 2.803 -12.987 -0.336
34 HG21 THR 8 3HG2 THR 8 4.678 -15.684 -0.222
35 HG22 THR 8 1HG2 THR 8 5.650 -15.340 1.207
36 HG23 THR 8 2HG2 THR 8 5.886 -14.401 -0.267
37 H GLY 9 H GLY 9 1.241 -13.691 1.548
38 HA2 GLY 9 1HA GLY 9 0.143 -12.286 3.577
39 HA3 GLY 9 2HA GLY 9 1.154 -11.081 2.792
40 H GLU 10 H GLU 10 -1.853 -12.603 2.810
41 HA GLU 10 HA GLU 10 -2.472 -11.988 0.035
42 HB2 GLU 10 1HB GLU 10 -4.085 -13.226 2.266
43 HB3 GLU 10 2HB GLU 10 -4.752 -12.875 0.678
44 HG2 GLU 10 1HG GLU 10 -3.570 -14.540 -0.345
45 HG3 GLU 10 2HG GLU 10 -2.269 -14.498 0.843
46 H LYS 11 H LYS 11 -2.170 -9.693 0.194
47 HA LYS 11 HA LYS 11 -4.158 -8.248 1.787
48 HB2 LYS 11 1HB LYS 11 -1.585 -7.486 0.456
49 HB3 LYS 11 2HB LYS 11 -2.779 -6.242 0.801
50 HG2 LYS 11 1HG LYS 11 -1.525 -6.132 2.697
51 HG3 LYS 11 2HG LYS 11 -2.728 -7.322 3.199
52 HD2 LYS 11 1HD LYS 11 -1.241 -9.094 2.998
53 HD3 LYS 11 2HD LYS 11 -0.176 -8.206 1.906
54 HE2 LYS 11 1HE LYS 11 0.961 -8.312 3.970
55 HE3 LYS 11 2HE LYS 11 0.320 -6.674 3.860
56 HZ1 LYS 11 3HZ LYS 11 0.032 -8.150 6.013
57 HZ2 LYS 11 1HZ LYS 11 -1.345 -8.675 5.181
58 HZ3 LYS 11 2HZ LYS 11 -1.144 -7.033 5.533
59 HA PRO 12 HA PRO 12 -6.750 -7.499 -1.691
60 HB2 PRO 12 1HB PRO 12 -7.991 -5.243 -0.829
61 HB3 PRO 12 2HB PRO 12 -8.346 -6.846 -0.172
62 HG2 PRO 12 1HG PRO 12 -6.592 -4.689 0.940
63 HG3 PRO 12 2HG PRO 12 -7.757 -5.729 1.781
64 HD2 PRO 12 1HD PRO 12 -5.090 -6.196 1.823
65 HD3 PRO 12 2HD PRO 12 -6.290 -7.504 1.881
66 H PHE 13 H PHE 13 -4.334 -5.285 -0.648
67 HA PHE 13 HA PHE 13 -4.406 -3.984 -3.284
68 HB2 PHE 13 1HB PHE 13 -3.650 -2.528 -0.751
69 HB3 PHE 13 2HB PHE 13 -3.936 -1.843 -2.347
70 HD1 PHE 13 HD1 PHE 13 -6.338 -2.204 -3.309
71 HD2 PHE 13 HD2 PHE 13 -5.330 -2.461 0.819
72 HE1 PHE 13 HE1 PHE 13 -8.690 -1.795 -2.713
73 HE2 PHE 13 HE2 PHE 13 -7.681 -2.053 1.421
74 HZ PHE 13 HZ PHE 13 -9.364 -1.720 -0.345
75 H LYS 14 H LYS 14 -2.366 -3.236 -4.066
76 HA LYS 14 HA LYS 14 0.039 -3.936 -2.624
77 HB2 LYS 14 1HB LYS 14 -0.670 -6.078 -3.685
78 HB3 LYS 14 2HB LYS 14 -0.564 -5.296 -5.257
79 HG2 LYS 14 1HG LYS 14 1.853 -4.831 -4.741
80 HG3 LYS 14 2HG LYS 14 1.672 -5.885 -3.337
81 HD2 LYS 14 1HD LYS 14 0.943 -7.705 -4.848
82 HD3 LYS 14 2HD LYS 14 1.245 -6.644 -6.227
83 HE2 LYS 14 1HE LYS 14 3.612 -6.439 -5.433
84 HE3 LYS 14 2HE LYS 14 3.255 -7.682 -4.234
85 HZ1 LYS 14 3HZ LYS 14 2.957 -8.046 -7.166
86 HZ2 LYS 14 1HZ LYS 14 2.777 -9.235 -5.975
87 HZ3 LYS 14 2HZ LYS 14 4.298 -8.557 -6.270
88 H CYS 15 H CYS 15 1.920 -3.013 -3.511
89 HA CYS 15 HA CYS 15 1.373 -0.787 -5.318
90 HB2 CYS 15 1HB CYS 15 2.536 -0.090 -3.383
91 HB3 CYS 15 2HB CYS 15 3.653 -1.449 -3.465
92 H GLY 16 H GLY 16 1.610 -1.157 -7.421
93 HA2 GLY 16 1HA GLY 16 3.363 -3.253 -8.382
94 HA3 GLY 16 2HA GLY 16 2.301 -2.249 -9.358
95 H GLU 17 H GLU 17 4.843 -1.263 -7.091
96 HA GLU 17 HA GLU 17 6.373 -0.198 -9.363
97 HB2 GLU 17 1HB GLU 17 5.988 1.303 -6.774
98 HB3 GLU 17 2HB GLU 17 6.761 1.882 -8.243
99 HG2 GLU 17 1HG GLU 17 3.884 1.068 -8.244
100 HG3 GLU 17 2HG GLU 17 4.377 2.669 -7.696
101 H CYS 18 H CYS 18 6.525 -0.621 -5.823
102 HA CYS 18 HA CYS 18 9.341 -1.416 -6.118
103 HB2 CYS 18 1HB CYS 18 9.677 -0.773 -3.841
104 HB3 CYS 18 2HB CYS 18 8.777 0.527 -4.615
105 H GLY 19 H GLY 19 6.329 -2.295 -4.450
106 HA2 GLY 19 1HA GLY 19 5.776 -4.726 -4.639
107 HA3 GLY 19 2HA GLY 19 7.431 -5.019 -4.124
108 H LYS 20 H LYS 20 4.979 -2.745 -2.917
109 HA LYS 20 HA LYS 20 5.201 -4.063 -0.289
110 HB2 LYS 20 1HB LYS 20 5.091 -1.150 -1.014
111 HB3 LYS 20 2HB LYS 20 4.563 -1.699 0.572
112 HG2 LYS 20 1HG LYS 20 6.870 -2.858 0.679
113 HG3 LYS 20 2HG LYS 20 7.299 -1.754 -0.630
114 HD2 LYS 20 1HD LYS 20 6.887 0.150 0.718
115 HD3 LYS 20 2HD LYS 20 6.083 -0.815 1.958
116 HE2 LYS 20 1HE LYS 20 8.158 -0.473 2.903
117 HE3 LYS 20 2HE LYS 20 8.379 -2.033 2.111
118 HZ1 LYS 20 3HZ LYS 20 9.144 -0.487 0.148
119 HZ2 LYS 20 1HZ LYS 20 10.217 -0.947 1.373
120 HZ3 LYS 20 2HZ LYS 20 9.492 0.580 1.413
121 H SER 21 H SER 21 3.373 -4.939 0.403
122 HA SER 21 HA SER 21 0.837 -4.010 -0.758
123 HB2 SER 21 1HB SER 21 -0.071 -6.183 -0.250
124 HB3 SER 21 2HB SER 21 1.477 -6.421 -1.059
125 HG SER 21 HG SER 21 1.023 -6.520 1.743
126 H TYR 22 H TYR 22 -0.972 -3.652 0.566
127 HA TYR 22 HA TYR 22 -0.447 -3.468 3.452
128 HB2 TYR 22 1HB TYR 22 -1.756 -1.322 1.768
129 HB3 TYR 22 2HB TYR 22 -1.602 -1.291 3.520
130 HD1 TYR 22 HD2 TYR 22 0.401 -1.377 0.388
131 HD2 TYR 22 HD1 TYR 22 0.306 -0.382 4.523
132 HE1 TYR 22 HE2 TYR 22 2.592 -0.280 0.168
133 HE2 TYR 22 HE1 TYR 22 2.496 0.718 4.315
134 HH TYR 22 HH TYR 22 3.914 1.696 2.646
135 H ASN 23 H ASN 23 -2.517 -3.108 4.698
136 HA ASN 23 HA ASN 23 -4.445 -5.065 3.825
137 HB2 ASN 23 1HB ASN 23 -4.286 -3.353 6.314
138 HB3 ASN 23 2HB ASN 23 -5.527 -4.571 6.033
139 HD21 ASN 23 1HD2 ASN 23 -3.703 -4.545 8.188
140 HD22 ASN 23 2HD2 ASN 23 -2.710 -5.953 8.057
141 H GLN 24 H GLN 24 -4.403 -1.575 4.414
142 HA GLN 24 HA GLN 24 -7.082 -1.388 3.216
143 HB2 GLN 24 1HB GLN 24 -5.573 0.453 5.064
144 HB3 GLN 24 2HB GLN 24 -7.019 0.963 4.203
145 HG2 GLN 24 1HG GLN 24 -7.687 0.319 6.377
146 HG3 GLN 24 2HG GLN 24 -8.226 -0.944 5.273
147 HE21 GLN 24 1HE2 GLN 24 -5.433 -0.107 7.293
148 HE22 GLN 24 2HE2 GLN 24 -5.140 -1.714 7.854
149 H ARG 25 H ARG 25 -7.497 0.370 1.729
150 HA ARG 25 HA ARG 25 -5.413 0.625 -0.215
151 HB2 ARG 25 1HB ARG 25 -7.069 1.962 -1.473
152 HB3 ARG 25 2HB ARG 25 -7.717 0.417 -0.938
153 HG2 ARG 25 1HG ARG 25 -8.994 1.443 0.772
154 HG3 ARG 25 2HG ARG 25 -8.163 2.985 0.558
155 HD2 ARG 25 1HD ARG 25 -9.090 2.771 -1.892
156 HD3 ARG 25 2HD ARG 25 -10.263 1.701 -1.125
157 HE ARG 25 HE ARG 25 -11.222 3.524 -0.100
158 HH11 ARG 25 1HH1 ARG 25 -8.179 4.438 -1.522
159 HH12 ARG 25 2HH1 ARG 25 -8.430 6.136 -1.287
160 HH21 ARG 25 1HH2 ARG 25 -11.565 5.756 0.216
161 HH22 ARG 25 2HH2 ARG 25 -10.356 6.885 -0.297
162 H VAL 26 H VAL 26 -6.697 2.618 2.336
163 HA VAL 26 HA VAL 26 -5.684 5.110 1.479
164 HB VAL 26 HB VAL 26 -7.375 5.003 3.210
165 HG11 VAL 26 1HG1 VAL 26 -5.261 3.555 4.790
166 HG12 VAL 26 2HG1 VAL 26 -6.702 4.265 5.521
167 HG13 VAL 26 3HG1 VAL 26 -6.861 2.974 4.330
168 HG21 VAL 26 3HG2 VAL 26 -5.320 6.093 4.936
169 HG22 VAL 26 1HG2 VAL 26 -5.115 6.611 3.262
170 HG23 VAL 26 2HG2 VAL 26 -6.639 6.911 4.098
171 H HIS 27 H HIS 27 -4.213 2.378 3.031
172 HA HIS 27 HA HIS 27 -1.875 3.833 3.902
173 HB2 HIS 27 1HB HIS 27 -2.824 1.015 4.051
174 HB3 HIS 27 2HB HIS 27 -1.088 1.293 4.147
175 HD1 HIS 27 HD1 HIS 27 -1.252 0.408 6.632
176 HD2 HIS 27 HD2 HIS 27 -3.238 3.979 5.882
177 HE1 HIS 27 HE1 HIS 27 -1.724 1.403 8.893
178 H LEU 28 H LEU 28 -2.894 2.047 1.111
179 HA LEU 28 HA LEU 28 -0.254 1.633 0.057
180 HB2 LEU 28 1HB LEU 28 -1.877 0.066 -0.613
181 HB3 LEU 28 2HB LEU 28 -3.024 1.328 -1.060
182 HG LEU 28 HG LEU 28 -1.626 1.909 -2.988
183 HD11 LEU 28 1HD1 LEU 28 0.011 -0.513 -2.833
184 HD12 LEU 28 2HD1 LEU 28 0.411 0.718 -1.635
185 HD13 LEU 28 3HD1 LEU 28 0.436 1.118 -3.352
186 HD21 LEU 28 3HD2 LEU 28 -3.433 0.183 -3.115
187 HD22 LEU 28 1HD2 LEU 28 -2.185 -1.050 -2.933
188 HD23 LEU 28 2HD2 LEU 28 -2.171 0.019 -4.336
189 H THR 29 H THR 29 -2.994 3.699 -0.915
190 HA THR 29 HA THR 29 -1.718 5.119 -2.928
191 HB THR 29 HB THR 29 -4.205 5.174 -2.149
192 HG1 THR 29 HG1 THR 29 -4.203 6.514 -3.777
193 HG21 THR 29 3HG2 THR 29 -4.823 7.086 -0.816
194 HG22 THR 29 1HG2 THR 29 -3.141 7.598 -0.696
195 HG23 THR 29 2HG2 THR 29 -3.668 6.112 0.093
196 H GLN 30 H GLN 30 -1.635 5.586 0.552
197 HA GLN 30 HA GLN 30 -0.333 8.122 0.470
198 HB2 GLN 30 1HB GLN 30 -0.782 6.073 2.624
199 HB3 GLN 30 2HB GLN 30 0.214 7.493 2.913
200 HG2 GLN 30 1HG GLN 30 -2.569 7.755 1.847
201 HG3 GLN 30 2HG GLN 30 -2.265 7.563 3.573
202 HE21 GLN 30 1HE2 GLN 30 -1.649 9.283 4.735
203 HE22 GLN 30 2HE2 GLN 30 -1.325 10.849 4.083
204 H HIS 31 H HIS 31 0.719 4.859 0.180
205 HA HIS 31 HA HIS 31 3.481 5.464 0.839
206 HB2 HIS 31 1HB HIS 31 3.027 3.307 1.514
207 HB3 HIS 31 2HB HIS 31 1.943 2.997 0.161
208 HD1 HIS 31 HD1 HIS 31 5.605 3.096 1.028
209 HD2 HIS 31 HD2 HIS 31 3.119 1.845 -2.056
210 HE1 HIS 31 HE1 HIS 31 7.073 1.766 -0.521
211 H GLN 32 H GLN 32 1.517 4.772 -2.010
212 HA GLN 32 HA GLN 32 3.574 4.575 -3.895
213 HB2 GLN 32 1HB GLN 32 0.770 5.638 -4.282
214 HB3 GLN 32 2HB GLN 32 1.852 5.118 -5.567
215 HG2 GLN 32 1HG GLN 32 1.812 2.852 -4.736
216 HG3 GLN 32 2HG GLN 32 0.824 3.346 -3.362
217 HE21 GLN 32 1HE2 GLN 32 0.566 1.621 -5.959
218 HE22 GLN 32 2HE2 GLN 32 -1.021 2.023 -6.510
219 H ARG 33 H ARG 33 2.451 7.266 -2.137
220 HA ARG 33 HA ARG 33 2.877 9.381 -3.899
221 HB2 ARG 33 1HB ARG 33 3.214 9.207 -0.904
222 HB3 ARG 33 2HB ARG 33 3.351 10.714 -1.799
223 HG2 ARG 33 1HG ARG 33 1.045 10.416 -2.607
224 HG3 ARG 33 2HG ARG 33 0.918 8.948 -1.636
225 HD2 ARG 33 1HD ARG 33 -0.038 10.528 -0.249
226 HD3 ARG 33 2HD ARG 33 1.629 10.496 0.324
227 HE ARG 33 HE ARG 33 1.413 12.461 -1.655
228 HH11 ARG 33 1HH1 ARG 33 0.291 11.817 1.577
229 HH12 ARG 33 2HH1 ARG 33 0.173 13.491 2.010
230 HH21 ARG 33 1HH2 ARG 33 1.263 14.667 -1.098
231 HH22 ARG 33 2HH2 ARG 33 0.725 15.111 0.487
232 H VAL 34 H VAL 34 5.132 7.310 -2.302
233 HA VAL 34 HA VAL 34 7.403 9.024 -2.451
234 HB VAL 34 HB VAL 34 8.725 7.111 -1.884
235 HG11 VAL 34 1HG1 VAL 34 7.689 7.794 0.054
236 HG12 VAL 34 2HG1 VAL 34 6.080 7.358 -0.524
237 HG13 VAL 34 3HG1 VAL 34 7.206 6.100 -0.014
238 HG21 VAL 34 3HG2 VAL 34 8.026 5.427 -3.357
239 HG22 VAL 34 1HG2 VAL 34 7.563 4.835 -1.762
240 HG23 VAL 34 2HG2 VAL 34 6.347 5.538 -2.828
241 H HIS 35 H HIS 35 5.918 6.711 -4.620
242 HA HIS 35 HA HIS 35 8.136 6.841 -6.494
243 HB2 HIS 35 1HB HIS 35 5.472 5.499 -6.941
244 HB3 HIS 35 2HB HIS 35 7.004 5.160 -7.740
245 HD1 HIS 35 HD1 HIS 35 8.934 4.435 -5.746
246 HD2 HIS 35 HD2 HIS 35 4.914 3.574 -5.148
247 HE1 HIS 35 HE1 HIS 35 8.889 2.591 -4.037
248 H THR 36 H THR 36 5.697 8.859 -5.743
249 HA THR 36 HA THR 36 5.476 9.843 -8.513
250 HB THR 36 HB THR 36 3.246 10.886 -7.514
251 HG1 THR 36 HG1 THR 36 3.215 8.387 -6.201
252 HG21 THR 36 3HG2 THR 36 3.444 8.015 -8.433
253 HG22 THR 36 1HG2 THR 36 3.413 9.426 -9.489
254 HG23 THR 36 2HG2 THR 36 2.006 9.034 -8.500
255 H GLY 37 H GLY 37 6.632 11.650 -8.677
256 HA2 GLY 37 1HA GLY 37 7.352 13.259 -6.440
257 HA3 GLY 37 2HA GLY 37 7.642 13.644 -8.130
258 H GLU 38 H GLU 38 6.945 15.683 -8.347
259 HA GLU 38 HA GLU 38 4.272 16.346 -7.307
260 HB2 GLU 38 1HB GLU 38 4.934 18.576 -7.079
261 HB3 GLU 38 2HB GLU 38 6.353 17.672 -6.571
262 HG2 GLU 38 1HG GLU 38 5.973 18.799 -9.333
263 HG3 GLU 38 2HG GLU 38 6.836 19.620 -8.034
264 H LYS 39 H LYS 39 2.840 17.567 -8.622
265 HA LYS 39 HA LYS 39 2.346 16.698 -11.129
266 HB2 LYS 39 1HB LYS 39 1.191 18.915 -11.533
267 HB3 LYS 39 2HB LYS 39 0.718 18.060 -10.071
268 HG2 LYS 39 1HG LYS 39 2.365 19.514 -8.833
269 HG3 LYS 39 2HG LYS 39 2.495 20.471 -10.311
270 HD2 LYS 39 1HD LYS 39 0.354 21.284 -10.133
271 HD3 LYS 39 2HD LYS 39 -0.215 19.885 -9.219
272 HE2 LYS 39 1HE LYS 39 -0.143 21.823 -7.779
273 HE3 LYS 39 2HE LYS 39 1.087 20.665 -7.275
274 HZ1 LYS 39 3HZ LYS 39 2.305 22.335 -9.107
275 HZ2 LYS 39 1HZ LYS 39 2.551 22.301 -7.433
276 HZ3 LYS 39 2HZ LYS 39 1.407 23.353 -8.099
277 HA PRO 40 HA PRO 40 5.393 18.215 -13.906
278 HB2 PRO 40 1HB PRO 40 3.932 18.430 -16.184
279 HB3 PRO 40 2HB PRO 40 4.422 16.876 -15.500
280 HG2 PRO 40 1HG PRO 40 1.796 18.297 -15.283
281 HG3 PRO 40 2HG PRO 40 2.117 16.577 -15.574
282 HD2 PRO 40 1HD PRO 40 1.425 17.538 -13.139
283 HD3 PRO 40 2HD PRO 40 2.502 16.142 -13.343
284 H SER 41 H SER 41 2.345 19.963 -13.668
285 HA SER 41 HA SER 41 3.045 22.257 -15.111
286 HB2 SER 41 1HB SER 41 0.739 21.655 -14.305
287 HB3 SER 41 2HB SER 41 1.231 22.172 -12.692
288 HG SER 41 HG SER 41 0.691 23.681 -14.962
289 H GLY 42 H GLY 42 4.220 24.032 -14.656
290 HA2 GLY 42 1HA GLY 42 5.936 23.974 -12.346
291 HA3 GLY 42 2HA GLY 42 5.929 25.192 -13.613
292 HA PRO 43 HA PRO 43 4.020 26.799 -9.599
293 HB2 PRO 43 1HB PRO 43 5.937 28.636 -9.030
294 HB3 PRO 43 2HB PRO 43 5.999 26.969 -8.444
295 HG2 PRO 43 1HG PRO 43 7.405 28.210 -10.777
296 HG3 PRO 43 2HG PRO 43 8.034 27.082 -9.562
297 HD2 PRO 43 1HD PRO 43 7.275 26.285 -12.036
298 HD3 PRO 43 2HD PRO 43 7.110 25.246 -10.606
299 H SER 44 H SER 44 3.166 28.943 -9.274
300 HA SER 44 HA SER 44 2.211 30.167 -11.581
301 HB2 SER 44 1HB SER 44 1.367 30.341 -9.140
302 HB3 SER 44 2HB SER 44 2.513 31.674 -8.993
303 HG SER 44 HG SER 44 1.435 32.710 -10.700
304 H SER 45 H SER 45 2.791 31.950 -12.759
305 HA SER 45 HA SER 45 5.529 32.926 -12.313
306 HB2 SER 45 1HB SER 45 5.421 33.612 -14.725
307 HB3 SER 45 2HB SER 45 5.275 31.873 -14.469
308 HG SER 45 HG SER 45 3.116 33.673 -14.877
309 H GLY 46 H GLY 46 5.930 35.211 -13.011
310 HA2 GLY 46 1HA GLY 46 5.003 37.418 -13.402
311 HA3 GLY 46 2HA GLY 46 3.593 36.931 -12.473
Start of MODEL 4
1 H1 GLY 1 H GLY 1 20.740 -17.085 -2.362
2 HA2 GLY 1 1HA GLY 1 17.971 -18.094 -2.513
3 HA3 GLY 1 2HA GLY 1 18.751 -17.525 -1.044
4 H SER 2 H SER 2 16.543 -16.363 -1.143
5 HA SER 2 HA SER 2 17.087 -13.637 -1.921
6 HB2 SER 2 1HB SER 2 14.873 -15.229 -3.218
7 HB3 SER 2 2HB SER 2 14.869 -13.467 -3.161
8 HG SER 2 HG SER 2 15.897 -14.734 -5.039
9 H SER 3 H SER 3 16.406 -12.386 -0.323
10 HA SER 3 HA SER 3 13.843 -12.660 0.892
11 HB2 SER 3 1HB SER 3 15.414 -14.456 1.986
12 HB3 SER 3 2HB SER 3 16.071 -13.070 2.856
13 HG SER 3 HG SER 3 13.897 -14.425 3.426
14 H GLY 4 H GLY 4 13.207 -10.675 1.416
15 HA2 GLY 4 1HA GLY 4 14.849 -8.816 2.813
16 HA3 GLY 4 2HA GLY 4 14.748 -8.398 1.109
17 H SER 5 H SER 5 12.660 -7.928 0.205
18 HA SER 5 HA SER 5 10.741 -7.005 2.242
19 HB2 SER 5 1HB SER 5 11.551 -5.804 -0.401
20 HB3 SER 5 2HB SER 5 10.044 -5.355 0.397
21 HG SER 5 HG SER 5 11.335 -3.959 1.334
22 H SER 6 H SER 6 9.194 -8.523 2.318
23 HA SER 6 HA SER 6 7.940 -9.313 -0.229
24 HB2 SER 6 1HB SER 6 7.377 -11.484 0.851
25 HB3 SER 6 2HB SER 6 9.114 -11.230 0.693
26 HG SER 6 HG SER 6 8.662 -11.969 2.763
27 H GLY 7 H GLY 7 7.296 -9.279 3.285
28 HA2 GLY 7 1HA GLY 7 5.510 -8.378 4.444
29 HA3 GLY 7 2HA GLY 7 4.945 -7.670 2.938
30 H THR 8 H THR 8 5.479 -11.037 3.966
31 HA THR 8 HA THR 8 3.457 -12.234 2.586
32 HB THR 8 HB THR 8 4.317 -12.942 5.398
33 HG1 THR 8 HG1 THR 8 6.116 -13.329 4.331
34 HG21 THR 8 3HG2 THR 8 3.053 -14.700 3.295
35 HG22 THR 8 1HG2 THR 8 2.183 -13.998 4.658
36 HG23 THR 8 2HG2 THR 8 3.483 -15.155 4.944
37 H GLY 9 H GLY 9 1.365 -11.762 2.458
38 HA2 GLY 9 1HA GLY 9 -0.337 -11.783 4.727
39 HA3 GLY 9 2HA GLY 9 -0.066 -10.131 4.194
40 H GLU 10 H GLU 10 0.169 -10.929 1.372
41 HA GLU 10 HA GLU 10 -1.162 -11.075 -0.467
42 HB2 GLU 10 1HB GLU 10 -2.534 -13.016 1.379
43 HB3 GLU 10 2HB GLU 10 -3.141 -12.706 -0.241
44 HG2 GLU 10 1HG GLU 10 -0.445 -13.813 0.501
45 HG3 GLU 10 2HG GLU 10 -1.776 -14.673 -0.271
46 H LYS 11 H LYS 11 -1.565 -8.847 1.127
47 HA LYS 11 HA LYS 11 -4.244 -8.351 1.823
48 HB2 LYS 11 1HB LYS 11 -1.912 -6.576 1.163
49 HB3 LYS 11 2HB LYS 11 -3.503 -5.892 1.471
50 HG2 LYS 11 1HG LYS 11 -2.342 -5.792 3.513
51 HG3 LYS 11 2HG LYS 11 -3.477 -7.136 3.667
52 HD2 LYS 11 1HD LYS 11 -1.759 -8.739 3.358
53 HD3 LYS 11 2HD LYS 11 -0.611 -7.510 2.824
54 HE2 LYS 11 1HE LYS 11 0.067 -7.856 4.997
55 HE3 LYS 11 2HE LYS 11 -1.034 -6.493 5.188
56 HZ1 LYS 11 3HZ LYS 11 -1.294 -8.401 6.801
57 HZ2 LYS 11 1HZ LYS 11 -1.932 -9.293 5.513
58 HZ3 LYS 11 2HZ LYS 11 -2.705 -7.880 6.027
59 HA PRO 12 HA PRO 12 -6.316 -7.616 -1.975
60 HB2 PRO 12 1HB PRO 12 -7.986 -5.580 -1.311
61 HB3 PRO 12 2HB PRO 12 -8.217 -7.237 -0.741
62 HG2 PRO 12 1HG PRO 12 -6.991 -4.901 0.674
63 HG3 PRO 12 2HG PRO 12 -8.122 -6.118 1.295
64 HD2 PRO 12 1HD PRO 12 -5.461 -6.220 1.783
65 HD3 PRO 12 2HD PRO 12 -6.459 -7.679 1.623
66 H PHE 13 H PHE 13 -4.204 -5.350 -0.663
67 HA PHE 13 HA PHE 13 -4.246 -3.800 -3.163
68 HB2 PHE 13 1HB PHE 13 -3.640 -2.599 -0.460
69 HB3 PHE 13 2HB PHE 13 -3.848 -1.751 -1.989
70 HD1 PHE 13 HD1 PHE 13 -6.171 -1.981 -3.116
71 HD2 PHE 13 HD2 PHE 13 -5.420 -2.792 0.995
72 HE1 PHE 13 HE1 PHE 13 -8.562 -1.676 -2.622
73 HE2 PHE 13 HE2 PHE 13 -7.810 -2.489 1.494
74 HZ PHE 13 HZ PHE 13 -9.385 -1.931 -0.315
75 H LYS 14 H LYS 14 -2.269 -3.225 -4.003
76 HA LYS 14 HA LYS 14 0.160 -3.750 -2.509
77 HB2 LYS 14 1HB LYS 14 -0.663 -5.915 -3.683
78 HB3 LYS 14 2HB LYS 14 -0.136 -5.126 -5.164
79 HG2 LYS 14 1HG LYS 14 2.122 -4.876 -4.155
80 HG3 LYS 14 2HG LYS 14 1.561 -5.827 -2.778
81 HD2 LYS 14 1HD LYS 14 2.574 -7.430 -4.109
82 HD3 LYS 14 2HD LYS 14 0.879 -7.565 -4.584
83 HE2 LYS 14 1HE LYS 14 1.328 -6.100 -6.511
84 HE3 LYS 14 2HE LYS 14 3.026 -6.030 -6.046
85 HZ1 LYS 14 3HZ LYS 14 3.005 -7.688 -7.621
86 HZ2 LYS 14 1HZ LYS 14 1.500 -8.294 -7.143
87 HZ3 LYS 14 2HZ LYS 14 2.869 -8.588 -6.195
88 H CYS 15 H CYS 15 2.084 -2.981 -3.615
89 HA CYS 15 HA CYS 15 1.440 -0.830 -5.515
90 HB2 CYS 15 1HB CYS 15 2.392 0.035 -3.483
91 HB3 CYS 15 2HB CYS 15 3.711 -1.130 -3.545
92 H GLY 16 H GLY 16 1.972 -1.203 -7.558
93 HA2 GLY 16 1HA GLY 16 3.692 -3.360 -8.315
94 HA3 GLY 16 2HA GLY 16 2.949 -2.192 -9.397
95 H GLU 17 H GLU 17 4.189 -0.011 -7.662
96 HA GLU 17 HA GLU 17 6.412 0.516 -9.274
97 HB2 GLU 17 1HB GLU 17 6.090 1.626 -6.495
98 HB3 GLU 17 2HB GLU 17 6.809 2.396 -7.903
99 HG2 GLU 17 1HG GLU 17 3.901 1.870 -7.374
100 HG3 GLU 17 2HG GLU 17 4.713 3.427 -7.530
101 H CYS 18 H CYS 18 6.424 -0.333 -5.806
102 HA CYS 18 HA CYS 18 9.170 -1.320 -6.133
103 HB2 CYS 18 1HB CYS 18 9.383 -1.103 -3.719
104 HB3 CYS 18 2HB CYS 18 8.800 0.410 -4.405
105 H GLY 19 H GLY 19 6.044 -2.201 -4.692
106 HA2 GLY 19 1HA GLY 19 5.320 -4.528 -5.217
107 HA3 GLY 19 2HA GLY 19 6.939 -5.017 -4.742
108 H LYS 20 H LYS 20 5.111 -2.555 -3.054
109 HA LYS 20 HA LYS 20 5.230 -4.175 -0.635
110 HB2 LYS 20 1HB LYS 20 4.867 -1.286 -1.245
111 HB3 LYS 20 2HB LYS 20 4.149 -1.895 0.240
112 HG2 LYS 20 1HG LYS 20 6.488 -2.900 0.682
113 HG3 LYS 20 2HG LYS 20 7.030 -1.749 -0.542
114 HD2 LYS 20 1HD LYS 20 5.916 0.057 0.791
115 HD3 LYS 20 2HD LYS 20 5.629 -1.139 2.058
116 HE2 LYS 20 1HE LYS 20 8.088 -1.552 2.120
117 HE3 LYS 20 2HE LYS 20 8.293 -0.214 0.991
118 HZ1 LYS 20 3HZ LYS 20 6.817 0.938 2.888
119 HZ2 LYS 20 1HZ LYS 20 8.508 0.966 2.872
120 HZ3 LYS 20 2HZ LYS 20 7.690 -0.167 3.825
121 H SER 21 H SER 21 3.213 -3.701 0.878
122 HA SER 21 HA SER 21 0.690 -3.725 -0.540
123 HB2 SER 21 1HB SER 21 -0.004 -5.917 0.409
124 HB3 SER 21 2HB SER 21 1.323 -6.065 -0.742
125 HG SER 21 HG SER 21 2.492 -6.877 0.792
126 H TYR 22 H TYR 22 -1.078 -3.298 0.780
127 HA TYR 22 HA TYR 22 -0.573 -2.965 3.647
128 HB2 TYR 22 1HB TYR 22 -1.693 -0.829 1.823
129 HB3 TYR 22 2HB TYR 22 -1.713 -0.746 3.581
130 HD1 TYR 22 HD2 TYR 22 0.438 -0.678 0.595
131 HD2 TYR 22 HD1 TYR 22 0.269 -0.203 4.820
132 HE1 TYR 22 HE2 TYR 22 2.681 0.331 0.566
133 HE2 TYR 22 HE1 TYR 22 2.511 0.809 4.802
134 HH TYR 22 HH TYR 22 3.921 2.123 2.916
135 H ASN 23 H ASN 23 -2.191 -3.706 4.863
136 HA ASN 23 HA ASN 23 -4.284 -5.196 3.982
137 HB2 ASN 23 1HB ASN 23 -3.958 -3.557 6.482
138 HB3 ASN 23 2HB ASN 23 -5.425 -4.491 6.203
139 HD21 ASN 23 1HD2 ASN 23 -2.187 -4.557 7.209
140 HD22 ASN 23 2HD2 ASN 23 -2.049 -6.261 7.458
141 H GLN 24 H GLN 24 -4.284 -1.702 4.525
142 HA GLN 24 HA GLN 24 -6.975 -1.560 3.348
143 HB2 GLN 24 1HB GLN 24 -5.472 0.485 4.992
144 HB3 GLN 24 2HB GLN 24 -7.086 0.705 4.330
145 HG2 GLN 24 1HG GLN 24 -8.031 -0.836 5.787
146 HG3 GLN 24 2HG GLN 24 -6.478 -1.586 6.153
147 HE21 GLN 24 1HE2 GLN 24 -7.391 -1.268 8.364
148 HE22 GLN 24 2HE2 GLN 24 -7.037 0.223 9.162
149 H ARG 25 H ARG 25 -7.415 0.208 1.855
150 HA ARG 25 HA ARG 25 -5.376 0.404 -0.143
151 HB2 ARG 25 1HB ARG 25 -7.046 1.759 -1.372
152 HB3 ARG 25 2HB ARG 25 -7.691 0.220 -0.818
153 HG2 ARG 25 1HG ARG 25 -8.884 1.280 0.959
154 HG3 ARG 25 2HG ARG 25 -8.099 2.825 0.629
155 HD2 ARG 25 1HD ARG 25 -9.357 3.221 -1.248
156 HD3 ARG 25 2HD ARG 25 -9.625 1.506 -1.559
157 HE ARG 25 HE ARG 25 -11.332 3.226 -0.126
158 HH11 ARG 25 1HH1 ARG 25 -10.024 0.002 -0.006
159 HH12 ARG 25 2HH1 ARG 25 -11.376 -0.654 0.856
160 HH21 ARG 25 1HH2 ARG 25 -13.118 2.373 1.009
161 HH22 ARG 25 2HH2 ARG 25 -13.135 0.695 1.432
162 H VAL 26 H VAL 26 -6.871 2.655 2.143
163 HA VAL 26 HA VAL 26 -5.756 5.038 1.306
164 HB VAL 26 HB VAL 26 -7.403 4.963 3.087
165 HG11 VAL 26 1HG1 VAL 26 -5.372 4.078 5.080
166 HG12 VAL 26 2HG1 VAL 26 -7.131 3.950 5.129
167 HG13 VAL 26 3HG1 VAL 26 -6.195 2.864 4.102
168 HG21 VAL 26 3HG2 VAL 26 -6.155 6.968 3.054
169 HG22 VAL 26 1HG2 VAL 26 -6.227 6.476 4.746
170 HG23 VAL 26 2HG2 VAL 26 -4.758 6.202 3.810
171 H HIS 27 H HIS 27 -4.287 2.429 3.133
172 HA HIS 27 HA HIS 27 -1.933 3.873 3.856
173 HB2 HIS 27 1HB HIS 27 -2.737 0.983 3.904
174 HB3 HIS 27 2HB HIS 27 -1.060 1.435 4.194
175 HD1 HIS 27 HD1 HIS 27 -2.895 0.122 6.361
176 HD2 HIS 27 HD2 HIS 27 -2.149 4.193 5.994
177 HE1 HIS 27 HE1 HIS 27 -3.328 1.093 8.640
178 H LEU 28 H LEU 28 -2.876 1.848 1.153
179 HA LEU 28 HA LEU 28 -0.254 1.599 0.052
180 HB2 LEU 28 1HB LEU 28 -1.890 -0.047 -0.501
181 HB3 LEU 28 2HB LEU 28 -3.002 1.180 -1.103
182 HG LEU 28 HG LEU 28 -1.225 1.642 -2.893
183 HD11 LEU 28 1HD1 LEU 28 0.655 0.507 -1.994
184 HD12 LEU 28 2HD1 LEU 28 0.140 -0.401 -3.416
185 HD13 LEU 28 3HD1 LEU 28 -0.257 -0.991 -1.802
186 HD21 LEU 28 3HD2 LEU 28 -2.322 -1.099 -3.227
187 HD22 LEU 28 1HD2 LEU 28 -2.350 0.275 -4.331
188 HD23 LEU 28 2HD2 LEU 28 -3.456 0.226 -2.958
189 H THR 29 H THR 29 -3.111 3.430 -1.056
190 HA THR 29 HA THR 29 -1.960 4.863 -3.094
191 HB THR 29 HB THR 29 -4.404 4.876 -2.337
192 HG1 THR 29 HG1 THR 29 -4.639 7.067 -3.194
193 HG21 THR 29 3HG2 THR 29 -3.428 7.207 -0.684
194 HG22 THR 29 1HG2 THR 29 -3.941 5.653 -0.028
195 HG23 THR 29 2HG2 THR 29 -5.099 6.677 -0.878
196 H GLN 30 H GLN 30 -1.879 5.567 0.367
197 HA GLN 30 HA GLN 30 -0.585 8.088 0.100
198 HB2 GLN 30 1HB GLN 30 -1.125 6.211 2.366
199 HB3 GLN 30 2HB GLN 30 0.009 7.535 2.598
200 HG2 GLN 30 1HG GLN 30 -1.835 9.061 1.755
201 HG3 GLN 30 2HG GLN 30 -2.915 7.682 1.951
202 HE21 GLN 30 1HE2 GLN 30 -2.868 6.653 4.130
203 HE22 GLN 30 2HE2 GLN 30 -2.748 7.697 5.501
204 H HIS 31 H HIS 31 0.502 4.804 0.158
205 HA HIS 31 HA HIS 31 3.245 5.452 0.773
206 HB2 HIS 31 1HB HIS 31 2.792 3.309 1.487
207 HB3 HIS 31 2HB HIS 31 1.724 2.967 0.129
208 HD1 HIS 31 HD1 HIS 31 5.396 3.168 0.984
209 HD2 HIS 31 HD2 HIS 31 2.907 1.683 -1.992
210 HE1 HIS 31 HE1 HIS 31 6.877 1.781 -0.501
211 H GLN 32 H GLN 32 1.309 4.860 -2.090
212 HA GLN 32 HA GLN 32 3.305 4.465 -3.979
213 HB2 GLN 32 1HB GLN 32 0.604 5.786 -4.198
214 HB3 GLN 32 2HB GLN 32 1.639 5.512 -5.593
215 HG2 GLN 32 1HG GLN 32 1.568 3.129 -5.230
216 HG3 GLN 32 2HG GLN 32 0.636 3.355 -3.751
217 HE21 GLN 32 1HE2 GLN 32 -0.115 1.791 -6.009
218 HE22 GLN 32 2HE2 GLN 32 -1.565 2.475 -6.652
219 H ARG 33 H ARG 33 2.487 7.296 -2.220
220 HA ARG 33 HA ARG 33 3.324 9.312 -3.960
221 HB2 ARG 33 1HB ARG 33 3.224 9.078 -0.970
222 HB3 ARG 33 2HB ARG 33 3.919 10.505 -1.726
223 HG2 ARG 33 1HG ARG 33 1.840 10.990 -2.837
224 HG3 ARG 33 2HG ARG 33 1.132 9.489 -2.236
225 HD2 ARG 33 1HD ARG 33 0.333 11.254 -0.852
226 HD3 ARG 33 2HD ARG 33 1.517 10.345 0.087
227 HE ARG 33 HE ARG 33 2.929 12.387 -1.084
228 HH11 ARG 33 1HH1 ARG 33 0.190 12.132 1.049
229 HH12 ARG 33 2HH1 ARG 33 0.507 13.635 1.849
230 HH21 ARG 33 1HH2 ARG 33 3.358 14.369 -0.038
231 HH22 ARG 33 2HH2 ARG 33 2.308 14.908 1.229
232 H VAL 34 H VAL 34 5.151 7.122 -1.933
233 HA VAL 34 HA VAL 34 7.620 8.431 -1.912
234 HB VAL 34 HB VAL 34 8.625 6.307 -1.391
235 HG11 VAL 34 1HG1 VAL 34 7.458 7.198 0.452
236 HG12 VAL 34 2HG1 VAL 34 5.892 6.720 -0.207
237 HG13 VAL 34 3HG1 VAL 34 7.011 5.494 0.392
238 HG21 VAL 34 3HG2 VAL 34 7.966 4.398 -2.319
239 HG22 VAL 34 1HG2 VAL 34 6.374 4.546 -1.575
240 HG23 VAL 34 2HG2 VAL 34 6.683 5.277 -3.150
241 H HIS 35 H HIS 35 5.930 7.013 -4.497
242 HA HIS 35 HA HIS 35 8.380 6.840 -6.118
243 HB2 HIS 35 1HB HIS 35 5.673 5.701 -6.822
244 HB3 HIS 35 2HB HIS 35 7.220 5.349 -7.588
245 HD1 HIS 35 HD1 HIS 35 9.021 4.385 -5.552
246 HD2 HIS 35 HD2 HIS 35 4.945 3.634 -5.264
247 HE1 HIS 35 HE1 HIS 35 8.810 2.400 -4.022
248 H THR 36 H THR 36 5.326 8.436 -5.750
249 HA THR 36 HA THR 36 5.738 9.877 -8.283
250 HB THR 36 HB THR 36 3.342 10.663 -7.887
251 HG1 THR 36 HG1 THR 36 3.171 8.389 -6.204
252 HG21 THR 36 3HG2 THR 36 2.503 8.896 -9.109
253 HG22 THR 36 1HG2 THR 36 3.395 7.691 -8.181
254 HG23 THR 36 2HG2 THR 36 4.235 8.689 -9.368
255 H GLY 37 H GLY 37 7.380 10.583 -6.160
256 HA2 GLY 37 1HA GLY 37 6.763 12.429 -4.326
257 HA3 GLY 37 2HA GLY 37 8.162 12.626 -5.372
258 H GLU 38 H GLU 38 5.224 13.942 -4.399
259 HA GLU 38 HA GLU 38 4.811 15.503 -6.816
260 HB2 GLU 38 1HB GLU 38 2.923 14.567 -5.408
261 HB3 GLU 38 2HB GLU 38 3.347 15.763 -4.191
262 HG2 GLU 38 1HG GLU 38 1.489 16.523 -5.545
263 HG3 GLU 38 2HG GLU 38 2.899 17.554 -5.778
264 H LYS 39 H LYS 39 4.590 17.873 -6.665
265 HA LYS 39 HA LYS 39 5.983 19.206 -4.510
266 HB2 LYS 39 1HB LYS 39 7.097 19.212 -7.322
267 HB3 LYS 39 2HB LYS 39 7.630 20.283 -6.032
268 HG2 LYS 39 1HG LYS 39 8.285 18.279 -4.719
269 HG3 LYS 39 2HG LYS 39 7.883 17.285 -6.121
270 HD2 LYS 39 1HD LYS 39 9.734 19.579 -6.513
271 HD3 LYS 39 2HD LYS 39 10.349 18.149 -5.682
272 HE2 LYS 39 1HE LYS 39 10.157 16.821 -7.537
273 HE3 LYS 39 2HE LYS 39 8.830 17.767 -8.211
274 HZ1 LYS 39 3HZ LYS 39 11.595 17.962 -8.752
275 HZ2 LYS 39 1HZ LYS 39 11.038 19.438 -8.140
276 HZ3 LYS 39 2HZ LYS 39 10.307 18.759 -9.505
277 HA PRO 40 HA PRO 40 3.113 22.360 -5.603
278 HB2 PRO 40 1HB PRO 40 4.304 24.471 -4.380
279 HB3 PRO 40 2HB PRO 40 3.459 23.198 -3.492
280 HG2 PRO 40 1HG PRO 40 6.394 23.547 -3.969
281 HG3 PRO 40 2HG PRO 40 5.550 23.078 -2.481
282 HD2 PRO 40 1HD PRO 40 6.767 21.277 -4.096
283 HD3 PRO 40 2HD PRO 40 5.311 20.888 -3.158
284 H SER 41 H SER 41 6.564 23.043 -6.077
285 HA SER 41 HA SER 41 6.402 25.274 -7.695
286 HB2 SER 41 1HB SER 41 8.521 24.333 -6.831
287 HB3 SER 41 2HB SER 41 8.376 22.993 -7.968
288 HG SER 41 HG SER 41 9.289 24.241 -9.373
289 H GLY 42 H GLY 42 5.215 25.562 -9.460
290 HA2 GLY 42 1HA GLY 42 5.586 24.132 -11.834
291 HA3 GLY 42 2HA GLY 42 4.163 23.475 -11.041
292 HA PRO 43 HA PRO 43 3.403 27.618 -13.370
293 HB2 PRO 43 1HB PRO 43 2.756 26.708 -15.844
294 HB3 PRO 43 2HB PRO 43 4.400 27.176 -15.392
295 HG2 PRO 43 1HG PRO 43 3.181 24.446 -15.544
296 HG3 PRO 43 2HG PRO 43 4.778 24.990 -16.090
297 HD2 PRO 43 1HD PRO 43 4.411 23.664 -13.758
298 HD3 PRO 43 2HD PRO 43 5.677 24.890 -13.970
299 H SER 44 H SER 44 1.919 24.526 -13.049
300 HA SER 44 HA SER 44 -0.663 25.114 -14.009
301 HB2 SER 44 1HB SER 44 -1.382 23.177 -12.626
302 HB3 SER 44 2HB SER 44 0.036 22.818 -13.610
303 HG SER 44 HG SER 44 -0.062 23.385 -10.836
304 H SER 45 H SER 45 0.632 25.155 -10.691
305 HA SER 45 HA SER 45 -1.729 26.664 -9.829
306 HB2 SER 45 1HB SER 45 -0.673 24.550 -8.627
307 HB3 SER 45 2HB SER 45 0.378 25.770 -7.907
308 HG SER 45 HG SER 45 -1.816 25.163 -6.913
309 H GLY 46 H GLY 46 0.478 27.811 -11.428
310 HA2 GLY 46 1HA GLY 46 1.549 29.844 -11.525
311 HA3 GLY 46 2HA GLY 46 0.749 30.260 -10.017
Start of MODEL 5
1 H1 GLY 1 H GLY 1 14.089 -16.112 -8.735
2 HA2 GLY 1 1HA GLY 1 16.331 -16.190 -7.174
3 HA3 GLY 1 2HA GLY 1 15.315 -14.987 -6.394
4 H SER 2 H SER 2 15.353 -16.470 -4.569
5 HA SER 2 HA SER 2 13.715 -18.876 -4.914
6 HB2 SER 2 1HB SER 2 15.396 -17.970 -2.564
7 HB3 SER 2 2HB SER 2 14.504 -19.488 -2.652
8 HG SER 2 HG SER 2 16.896 -18.780 -3.805
9 H SER 3 H SER 3 12.345 -19.341 -2.833
10 HA SER 3 HA SER 3 10.991 -16.898 -1.936
11 HB2 SER 3 1HB SER 3 8.784 -18.077 -2.284
12 HB3 SER 3 2HB SER 3 9.621 -17.618 -3.767
13 HG SER 3 HG SER 3 9.351 -19.649 -4.249
14 H GLY 4 H GLY 4 9.811 -17.119 0.027
15 HA2 GLY 4 1HA GLY 4 9.862 -19.619 1.466
16 HA3 GLY 4 2HA GLY 4 11.005 -18.434 2.081
17 H SER 5 H SER 5 7.789 -17.832 0.741
18 HA SER 5 HA SER 5 7.093 -16.394 3.176
19 HB2 SER 5 1HB SER 5 5.186 -15.547 1.899
20 HB3 SER 5 2HB SER 5 6.676 -15.336 0.980
21 HG SER 5 HG SER 5 4.545 -16.459 0.106
22 H SER 6 H SER 6 6.495 -17.790 4.744
23 HA SER 6 HA SER 6 4.751 -20.032 4.139
24 HB2 SER 6 1HB SER 6 6.697 -20.142 5.775
25 HB3 SER 6 2HB SER 6 5.714 -19.168 6.868
26 HG SER 6 HG SER 6 5.614 -21.573 7.042
27 H GLY 7 H GLY 7 2.923 -18.748 3.454
28 HA2 GLY 7 1HA GLY 7 1.009 -17.477 3.783
29 HA3 GLY 7 2HA GLY 7 0.807 -18.616 5.106
30 H THR 8 H THR 8 2.306 -15.511 4.273
31 HA THR 8 HA THR 8 2.545 -14.755 7.051
32 HB THR 8 HB THR 8 2.949 -13.027 4.604
33 HG1 THR 8 HG1 THR 8 4.554 -14.415 4.337
34 HG21 THR 8 3HG2 THR 8 2.724 -11.689 6.580
35 HG22 THR 8 1HG2 THR 8 4.437 -11.757 6.168
36 HG23 THR 8 2HG2 THR 8 3.806 -12.749 7.484
37 H GLY 9 H GLY 9 0.883 -13.252 4.265
38 HA2 GLY 9 1HA GLY 9 -1.641 -13.050 5.382
39 HA3 GLY 9 2HA GLY 9 -0.767 -11.622 5.917
40 H GLU 10 H GLU 10 -2.150 -13.295 3.189
41 HA GLU 10 HA GLU 10 -1.286 -11.578 1.140
42 HB2 GLU 10 1HB GLU 10 -2.385 -13.832 0.862
43 HB3 GLU 10 2HB GLU 10 -3.919 -13.053 1.224
44 HG2 GLU 10 1HG GLU 10 -3.783 -13.202 -1.120
45 HG3 GLU 10 2HG GLU 10 -3.474 -11.516 -0.712
46 H LYS 11 H LYS 11 -1.805 -9.554 0.654
47 HA LYS 11 HA LYS 11 -4.077 -8.320 2.045
48 HB2 LYS 11 1HB LYS 11 -1.539 -7.229 0.863
49 HB3 LYS 11 2HB LYS 11 -2.909 -6.172 1.175
50 HG2 LYS 11 1HG LYS 11 -2.685 -6.313 3.436
51 HG3 LYS 11 2HG LYS 11 -1.987 -7.934 3.378
52 HD2 LYS 11 1HD LYS 11 0.063 -6.868 2.342
53 HD3 LYS 11 2HD LYS 11 -0.641 -5.308 2.777
54 HE2 LYS 11 1HE LYS 11 -0.282 -7.485 4.810
55 HE3 LYS 11 2HE LYS 11 1.036 -6.388 4.400
56 HZ1 LYS 11 3HZ LYS 11 -0.712 -5.884 6.317
57 HZ2 LYS 11 1HZ LYS 11 -1.529 -5.163 5.023
58 HZ3 LYS 11 2HZ LYS 11 0.036 -4.660 5.420
59 HA PRO 12 HA PRO 12 -6.405 -7.993 -1.673
60 HB2 PRO 12 1HB PRO 12 -7.945 -5.846 -1.050
61 HB3 PRO 12 2HB PRO 12 -8.190 -7.444 -0.335
62 HG2 PRO 12 1HG PRO 12 -6.777 -5.060 0.796
63 HG3 PRO 12 2HG PRO 12 -7.899 -6.178 1.594
64 HD2 PRO 12 1HD PRO 12 -5.213 -6.352 1.888
65 HD3 PRO 12 2HD PRO 12 -6.272 -7.777 1.919
66 H PHE 13 H PHE 13 -4.352 -5.467 -0.549
67 HA PHE 13 HA PHE 13 -4.408 -4.237 -3.226
68 HB2 PHE 13 1HB PHE 13 -3.602 -2.688 -0.785
69 HB3 PHE 13 2HB PHE 13 -4.189 -2.091 -2.334
70 HD1 PHE 13 HD1 PHE 13 -6.657 -3.255 -2.857
71 HD2 PHE 13 HD2 PHE 13 -5.028 -2.240 0.941
72 HE1 PHE 13 HE1 PHE 13 -8.931 -3.086 -1.931
73 HE2 PHE 13 HE2 PHE 13 -7.298 -2.069 1.874
74 HZ PHE 13 HZ PHE 13 -9.253 -2.493 0.438
75 H LYS 14 H LYS 14 -2.432 -3.571 -4.101
76 HA LYS 14 HA LYS 14 0.022 -4.040 -2.641
77 HB2 LYS 14 1HB LYS 14 -0.513 -6.283 -3.481
78 HB3 LYS 14 2HB LYS 14 -0.636 -5.648 -5.116
79 HG2 LYS 14 1HG LYS 14 1.710 -5.108 -5.135
80 HG3 LYS 14 2HG LYS 14 1.867 -5.588 -3.443
81 HD2 LYS 14 1HD LYS 14 0.882 -7.860 -4.360
82 HD3 LYS 14 2HD LYS 14 1.556 -7.270 -5.881
83 HE2 LYS 14 1HE LYS 14 3.270 -8.553 -4.926
84 HE3 LYS 14 2HE LYS 14 3.713 -6.883 -4.578
85 HZ1 LYS 14 3HZ LYS 14 2.681 -7.184 -2.361
86 HZ2 LYS 14 1HZ LYS 14 4.029 -8.174 -2.618
87 HZ3 LYS 14 2HZ LYS 14 2.471 -8.825 -2.711
88 H CYS 15 H CYS 15 1.728 -2.878 -3.434
89 HA CYS 15 HA CYS 15 1.100 -0.852 -5.387
90 HB2 CYS 15 1HB CYS 15 2.377 -0.254 -3.396
91 HB3 CYS 15 2HB CYS 15 3.638 -1.401 -3.836
92 H GLY 16 H GLY 16 1.180 -1.346 -7.482
93 HA2 GLY 16 1HA GLY 16 2.916 -3.423 -8.484
94 HA3 GLY 16 2HA GLY 16 1.801 -2.446 -9.428
95 H GLU 17 H GLU 17 4.454 -1.399 -7.322
96 HA GLU 17 HA GLU 17 5.872 -0.402 -9.695
97 HB2 GLU 17 1HB GLU 17 5.310 1.154 -7.166
98 HB3 GLU 17 2HB GLU 17 6.422 1.673 -8.425
99 HG2 GLU 17 1HG GLU 17 3.633 1.023 -9.202
100 HG3 GLU 17 2HG GLU 17 3.931 2.524 -8.327
101 H CYS 18 H CYS 18 6.125 -0.842 -6.169
102 HA CYS 18 HA CYS 18 8.947 -1.591 -6.550
103 HB2 CYS 18 1HB CYS 18 9.341 -0.922 -4.257
104 HB3 CYS 18 2HB CYS 18 8.546 0.396 -5.111
105 H GLY 19 H GLY 19 5.959 -2.434 -4.847
106 HA2 GLY 19 1HA GLY 19 5.453 -4.879 -4.921
107 HA3 GLY 19 2HA GLY 19 7.105 -5.117 -4.368
108 H LYS 20 H LYS 20 5.257 -2.470 -3.113
109 HA LYS 20 HA LYS 20 5.268 -3.759 -0.486
110 HB2 LYS 20 1HB LYS 20 5.169 -0.930 -1.442
111 HB3 LYS 20 2HB LYS 20 4.498 -1.309 0.139
112 HG2 LYS 20 1HG LYS 20 6.797 -2.502 0.499
113 HG3 LYS 20 2HG LYS 20 7.320 -1.431 -0.803
114 HD2 LYS 20 1HD LYS 20 6.739 0.507 0.446
115 HD3 LYS 20 2HD LYS 20 5.889 -0.452 1.660
116 HE2 LYS 20 1HE LYS 20 8.768 -1.020 1.183
117 HE3 LYS 20 2HE LYS 20 8.348 0.453 2.056
118 HZ1 LYS 20 3HZ LYS 20 6.814 -1.359 3.290
119 HZ2 LYS 20 1HZ LYS 20 8.355 -0.905 3.820
120 HZ3 LYS 20 2HZ LYS 20 8.158 -2.308 2.896
121 H SER 21 H SER 21 3.479 -4.590 0.354
122 HA SER 21 HA SER 21 0.897 -3.861 -0.848
123 HB2 SER 21 1HB SER 21 0.177 -6.033 0.405
124 HB3 SER 21 2HB SER 21 1.110 -6.172 -1.085
125 HG SER 21 HG SER 21 1.760 -7.368 0.989
126 H TYR 22 H TYR 22 -0.966 -3.693 0.563
127 HA TYR 22 HA TYR 22 -0.393 -3.154 3.377
128 HB2 TYR 22 1HB TYR 22 -1.712 -1.159 1.523
129 HB3 TYR 22 2HB TYR 22 -1.620 -1.000 3.274
130 HD1 TYR 22 HD2 TYR 22 0.482 -1.250 0.219
131 HD2 TYR 22 HD1 TYR 22 0.247 -0.007 4.281
132 HE1 TYR 22 HE2 TYR 22 2.661 -0.131 -0.004
133 HE2 TYR 22 HE1 TYR 22 2.425 1.117 4.070
134 HH TYR 22 HH TYR 22 4.424 1.010 2.678
135 H ASN 23 H ASN 23 -2.256 -3.164 4.730
136 HA ASN 23 HA ASN 23 -4.286 -4.979 3.823
137 HB2 ASN 23 1HB ASN 23 -4.852 -5.232 6.040
138 HB3 ASN 23 2HB ASN 23 -3.190 -4.676 6.212
139 HD21 ASN 23 1HD2 ASN 23 -2.894 -2.337 6.523
140 HD22 ASN 23 2HD2 ASN 23 -4.070 -1.483 7.458
141 H GLN 24 H GLN 24 -4.010 -1.543 4.305
142 HA GLN 24 HA GLN 24 -6.861 -1.231 3.640
143 HB2 GLN 24 1HB GLN 24 -4.982 0.426 5.283
144 HB3 GLN 24 2HB GLN 24 -6.373 1.182 4.517
145 HG2 GLN 24 1HG GLN 24 -7.710 -0.728 5.653
146 HG3 GLN 24 2HG GLN 24 -6.288 -0.862 6.687
147 HE21 GLN 24 1HE2 GLN 24 -6.760 0.048 8.555
148 HE22 GLN 24 2HE2 GLN 24 -7.509 1.590 8.773
149 H ARG 25 H ARG 25 -7.463 0.015 1.921
150 HA ARG 25 HA ARG 25 -5.635 0.350 -0.194
151 HB2 ARG 25 1HB ARG 25 -7.486 1.590 -1.302
152 HB3 ARG 25 2HB ARG 25 -7.978 0.030 -0.656
153 HG2 ARG 25 1HG ARG 25 -8.896 1.198 1.328
154 HG3 ARG 25 2HG ARG 25 -8.509 2.735 0.551
155 HD2 ARG 25 1HD ARG 25 -9.998 2.239 -1.276
156 HD3 ARG 25 2HD ARG 25 -10.295 0.620 -0.643
157 HE ARG 25 HE ARG 25 -11.747 1.515 0.910
158 HH11 ARG 25 1HH1 ARG 25 -10.014 4.061 -0.714
159 HH12 ARG 25 2HH1 ARG 25 -11.019 5.324 -0.085
160 HH21 ARG 25 1HH2 ARG 25 -13.078 3.169 1.743
161 HH22 ARG 25 2HH2 ARG 25 -12.762 4.816 1.313
162 H VAL 26 H VAL 26 -6.948 2.604 2.184
163 HA VAL 26 HA VAL 26 -5.899 4.967 1.054
164 HB VAL 26 HB VAL 26 -7.653 5.055 2.735
165 HG11 VAL 26 1HG1 VAL 26 -6.858 3.112 4.061
166 HG12 VAL 26 2HG1 VAL 26 -5.586 4.137 4.729
167 HG13 VAL 26 3HG1 VAL 26 -7.281 4.512 5.047
168 HG21 VAL 26 3HG2 VAL 26 -5.066 6.386 3.512
169 HG22 VAL 26 1HG2 VAL 26 -6.380 7.050 2.541
170 HG23 VAL 26 2HG2 VAL 26 -6.615 6.765 4.265
171 H HIS 27 H HIS 27 -4.518 2.506 3.106
172 HA HIS 27 HA HIS 27 -2.233 4.020 3.911
173 HB2 HIS 27 1HB HIS 27 -3.116 1.187 4.130
174 HB3 HIS 27 2HB HIS 27 -1.392 1.510 4.290
175 HD1 HIS 27 HD1 HIS 27 -0.650 2.032 6.587
176 HD2 HIS 27 HD2 HIS 27 -4.678 2.891 6.033
177 HE1 HIS 27 HE1 HIS 27 -1.496 2.770 8.838
178 H LEU 28 H LEU 28 -3.106 2.328 1.069
179 HA LEU 28 HA LEU 28 -0.376 1.907 0.185
180 HB2 LEU 28 1HB LEU 28 -1.906 0.225 -0.463
181 HB3 LEU 28 2HB LEU 28 -3.066 1.410 -1.059
182 HG LEU 28 HG LEU 28 -1.534 1.942 -2.914
183 HD11 LEU 28 1HD1 LEU 28 0.547 1.123 -3.123
184 HD12 LEU 28 2HD1 LEU 28 0.103 -0.459 -2.484
185 HD13 LEU 28 3HD1 LEU 28 0.424 0.879 -1.381
186 HD21 LEU 28 3HD2 LEU 28 -1.594 -0.771 -3.582
187 HD22 LEU 28 1HD2 LEU 28 -2.809 0.452 -3.955
188 HD23 LEU 28 2HD2 LEU 28 -2.959 -0.522 -2.492
189 H THR 29 H THR 29 -3.185 3.760 -0.997
190 HA THR 29 HA THR 29 -2.017 5.145 -3.050
191 HB THR 29 HB THR 29 -4.456 5.239 -2.134
192 HG1 THR 29 HG1 THR 29 -4.429 6.423 -3.886
193 HG21 THR 29 3HG2 THR 29 -5.024 6.842 -0.608
194 HG22 THR 29 1HG2 THR 29 -3.667 7.885 -1.033
195 HG23 THR 29 2HG2 THR 29 -3.405 6.465 -0.020
196 H GLN 30 H GLN 30 -1.661 5.690 0.387
197 HA GLN 30 HA GLN 30 -0.392 8.243 0.134
198 HB2 GLN 30 1HB GLN 30 -0.797 6.287 2.365
199 HB3 GLN 30 2HB GLN 30 0.343 7.610 2.566
200 HG2 GLN 30 1HG GLN 30 -1.508 9.181 1.967
201 HG3 GLN 30 2HG GLN 30 -2.607 7.804 2.028
202 HE21 GLN 30 1HE2 GLN 30 -3.702 7.741 3.841
203 HE22 GLN 30 2HE2 GLN 30 -3.119 8.179 5.407
204 H HIS 31 H HIS 31 0.699 4.908 0.383
205 HA HIS 31 HA HIS 31 3.450 5.491 0.751
206 HB2 HIS 31 1HB HIS 31 2.981 3.318 1.350
207 HB3 HIS 31 2HB HIS 31 1.861 3.077 0.012
208 HD1 HIS 31 HD1 HIS 31 5.616 3.574 0.437
209 HD2 HIS 31 HD2 HIS 31 2.893 1.490 -1.910
210 HE1 HIS 31 HE1 HIS 31 7.005 2.150 -1.101
211 H GLN 32 H GLN 32 1.516 4.710 -2.122
212 HA GLN 32 HA GLN 32 3.432 4.543 -4.055
213 HB2 GLN 32 1HB GLN 32 0.734 5.889 -4.208
214 HB3 GLN 32 2HB GLN 32 1.732 5.547 -5.614
215 HG2 GLN 32 1HG GLN 32 1.634 3.159 -5.100
216 HG3 GLN 32 2HG GLN 32 0.620 3.507 -3.701
217 HE21 GLN 32 1HE2 GLN 32 -0.457 1.800 -5.325
218 HE22 GLN 32 2HE2 GLN 32 -1.678 2.501 -6.326
219 H ARG 33 H ARG 33 2.549 7.329 -2.227
220 HA ARG 33 HA ARG 33 3.359 9.392 -3.919
221 HB2 ARG 33 1HB ARG 33 3.390 9.138 -0.915
222 HB3 ARG 33 2HB ARG 33 3.853 10.620 -1.739
223 HG2 ARG 33 1HG ARG 33 1.638 10.750 -2.759
224 HG3 ARG 33 2HG ARG 33 1.174 9.261 -1.934
225 HD2 ARG 33 1HD ARG 33 0.330 11.181 -0.722
226 HD3 ARG 33 2HD ARG 33 1.564 10.358 0.230
227 HE ARG 33 HE ARG 33 2.836 12.252 0.132
228 HH11 ARG 33 1HH1 ARG 33 0.415 12.394 -2.365
229 HH12 ARG 33 2HH1 ARG 33 0.796 14.020 -2.824
230 HH21 ARG 33 1HH2 ARG 33 3.347 14.394 -0.463
231 HH22 ARG 33 2HH2 ARG 33 2.465 15.157 -1.742
232 H VAL 34 H VAL 34 5.243 7.434 -1.646
233 HA VAL 34 HA VAL 34 7.667 8.719 -1.706
234 HB VAL 34 HB VAL 34 8.728 6.626 -1.180
235 HG11 VAL 34 1HG1 VAL 34 6.715 5.714 0.390
236 HG12 VAL 34 2HG1 VAL 34 7.725 7.109 0.775
237 HG13 VAL 34 3HG1 VAL 34 6.146 7.342 0.024
238 HG21 VAL 34 3HG2 VAL 34 6.736 5.548 -2.915
239 HG22 VAL 34 1HG2 VAL 34 8.160 4.759 -2.238
240 HG23 VAL 34 2HG2 VAL 34 6.635 4.736 -1.353
241 H HIS 35 H HIS 35 6.131 6.923 -4.242
242 HA HIS 35 HA HIS 35 8.540 6.694 -5.832
243 HB2 HIS 35 1HB HIS 35 5.670 6.126 -6.602
244 HB3 HIS 35 2HB HIS 35 7.106 5.645 -7.501
245 HD1 HIS 35 HD1 HIS 35 8.759 4.543 -5.101
246 HD2 HIS 35 HD2 HIS 35 4.774 3.649 -5.861
247 HE1 HIS 35 HE1 HIS 35 8.332 2.347 -3.953
248 H THR 36 H THR 36 7.433 9.350 -5.012
249 HA THR 36 HA THR 36 6.545 10.544 -7.498
250 HB THR 36 HB THR 36 6.753 12.703 -6.108
251 HG1 THR 36 HG1 THR 36 6.692 12.217 -3.803
252 HG21 THR 36 3HG2 THR 36 4.730 11.753 -4.608
253 HG22 THR 36 1HG2 THR 36 4.820 10.484 -5.829
254 HG23 THR 36 2HG2 THR 36 4.561 12.160 -6.315
255 H GLY 37 H GLY 37 7.963 11.027 -9.038
256 HA2 GLY 37 1HA GLY 37 10.693 11.807 -8.238
257 HA3 GLY 37 2HA GLY 37 10.268 11.086 -9.784
258 H GLU 38 H GLU 38 11.135 13.899 -8.328
259 HA GLU 38 HA GLU 38 9.532 15.642 -10.033
260 HB2 GLU 38 1HB GLU 38 10.585 17.482 -8.804
261 HB3 GLU 38 2HB GLU 38 9.861 16.314 -7.706
262 HG2 GLU 38 1HG GLU 38 11.840 16.636 -6.653
263 HG3 GLU 38 2HG GLU 38 12.299 15.311 -7.721
264 H LYS 39 H LYS 39 11.280 13.911 -11.391
265 HA LYS 39 HA LYS 39 13.020 15.881 -12.682
266 HB2 LYS 39 1HB LYS 39 14.830 14.205 -12.876
267 HB3 LYS 39 2HB LYS 39 14.502 14.656 -11.208
268 HG2 LYS 39 1HG LYS 39 14.645 12.408 -10.958
269 HG3 LYS 39 2HG LYS 39 12.924 12.536 -11.328
270 HD2 LYS 39 1HD LYS 39 13.645 12.234 -13.781
271 HD3 LYS 39 2HD LYS 39 15.176 11.666 -13.111
272 HE2 LYS 39 1HE LYS 39 13.820 9.750 -13.498
273 HE3 LYS 39 2HE LYS 39 13.864 10.015 -11.756
274 HZ1 LYS 39 3HZ LYS 39 11.692 10.827 -11.755
275 HZ2 LYS 39 1HZ LYS 39 11.626 9.502 -12.806
276 HZ3 LYS 39 2HZ LYS 39 11.668 11.074 -13.428
277 HA PRO 40 HA PRO 40 11.340 14.248 -16.399
278 HB2 PRO 40 1HB PRO 40 13.352 14.816 -18.131
279 HB3 PRO 40 2HB PRO 40 12.284 16.055 -17.461
280 HG2 PRO 40 1HG PRO 40 15.047 15.276 -16.613
281 HG3 PRO 40 2HG PRO 40 14.347 16.895 -16.794
282 HD2 PRO 40 1HD PRO 40 14.610 15.682 -14.387
283 HD3 PRO 40 2HD PRO 40 13.279 16.798 -14.753
284 H SER 41 H SER 41 11.191 12.257 -17.224
285 HA SER 41 HA SER 41 13.200 10.291 -16.616
286 HB2 SER 41 1HB SER 41 10.771 9.779 -16.523
287 HB3 SER 41 2HB SER 41 10.679 10.003 -18.270
288 HG SER 41 HG SER 41 12.564 8.331 -18.082
289 H GLY 42 H GLY 42 15.040 10.547 -17.778
290 HA2 GLY 42 1HA GLY 42 15.833 9.521 -19.968
291 HA3 GLY 42 2HA GLY 42 14.778 10.713 -20.713
292 HA PRO 43 HA PRO 43 19.171 12.356 -19.928
293 HB2 PRO 43 1HB PRO 43 20.058 12.316 -22.494
294 HB3 PRO 43 2HB PRO 43 20.277 10.961 -21.381
295 HG2 PRO 43 1HG PRO 43 18.218 11.340 -23.520
296 HG3 PRO 43 2HG PRO 43 19.149 9.888 -23.108
297 HD2 PRO 43 1HD PRO 43 16.586 10.251 -22.313
298 HD3 PRO 43 2HD PRO 43 17.769 9.354 -21.340
299 H SER 44 H SER 44 19.009 14.490 -19.706
300 HA SER 44 HA SER 44 17.206 16.228 -20.644
301 HB2 SER 44 1HB SER 44 18.797 17.063 -19.105
302 HB3 SER 44 2HB SER 44 20.150 16.675 -20.168
303 HG SER 44 HG SER 44 18.202 18.466 -21.077
304 H SER 45 H SER 45 16.766 17.426 -22.444
305 HA SER 45 HA SER 45 17.357 16.424 -24.952
306 HB2 SER 45 1HB SER 45 16.306 19.050 -23.973
307 HB3 SER 45 2HB SER 45 16.726 18.883 -25.678
308 HG SER 45 HG SER 45 14.535 18.041 -24.427
309 H GLY 46 H GLY 46 18.835 16.881 -26.542
310 HA2 GLY 46 1HA GLY 46 20.720 17.776 -27.536
311 HA3 GLY 46 2HA GLY 46 20.734 19.021 -26.296
Start of MODEL 6
1 H1 GLY 1 H GLY 1 12.899 -30.026 -6.081
2 HA2 GLY 1 1HA GLY 1 12.744 -28.854 -8.653
3 HA3 GLY 1 2HA GLY 1 11.445 -28.235 -7.644
4 H SER 2 H SER 2 12.158 -26.158 -7.436
5 HA SER 2 HA SER 2 14.774 -25.795 -6.127
6 HB2 SER 2 1HB SER 2 14.995 -23.678 -7.188
7 HB3 SER 2 2HB SER 2 14.454 -24.788 -8.447
8 HG SER 2 HG SER 2 13.274 -22.830 -8.470
9 H SER 3 H SER 3 14.911 -23.948 -4.635
10 HA SER 3 HA SER 3 12.382 -23.609 -3.164
11 HB2 SER 3 1HB SER 3 14.196 -24.832 -1.960
12 HB3 SER 3 2HB SER 3 15.199 -23.386 -2.078
13 HG SER 3 HG SER 3 13.051 -23.924 -0.431
14 H GLY 4 H GLY 4 12.057 -21.557 -2.061
15 HA2 GLY 4 1HA GLY 4 13.627 -19.274 -2.454
16 HA3 GLY 4 2HA GLY 4 12.462 -19.349 -3.768
17 H SER 5 H SER 5 10.766 -18.101 -3.412
18 HA SER 5 HA SER 5 9.663 -17.980 -0.684
19 HB2 SER 5 1HB SER 5 9.276 -15.641 -0.863
20 HB3 SER 5 2HB SER 5 10.933 -15.890 -1.413
21 HG SER 5 HG SER 5 9.525 -14.511 -2.756
22 H SER 6 H SER 6 7.604 -18.566 -0.564
23 HA SER 6 HA SER 6 6.106 -19.061 -2.987
24 HB2 SER 6 1HB SER 6 5.686 -19.666 -0.077
25 HB3 SER 6 2HB SER 6 4.340 -19.800 -1.208
26 HG SER 6 HG SER 6 6.535 -21.415 -0.885
27 H GLY 7 H GLY 7 5.729 -17.052 -0.076
28 HA2 GLY 7 1HA GLY 7 4.708 -14.818 -1.356
29 HA3 GLY 7 2HA GLY 7 3.320 -15.814 -0.943
30 H THR 8 H THR 8 3.826 -13.210 0.065
31 HA THR 8 HA THR 8 4.161 -13.840 2.923
32 HB THR 8 HB THR 8 5.032 -11.268 1.592
33 HG1 THR 8 HG1 THR 8 6.800 -13.079 2.823
34 HG21 THR 8 3HG2 THR 8 6.141 -11.774 4.194
35 HG22 THR 8 1HG2 THR 8 4.380 -11.831 4.268
36 HG23 THR 8 2HG2 THR 8 5.191 -10.397 3.637
37 H GLY 9 H GLY 9 1.962 -13.969 3.327
38 HA2 GLY 9 1HA GLY 9 -0.026 -13.058 4.068
39 HA3 GLY 9 2HA GLY 9 0.627 -11.464 3.719
40 H GLU 10 H GLU 10 -1.995 -11.932 3.210
41 HA GLU 10 HA GLU 10 -2.053 -11.911 0.272
42 HB2 GLU 10 1HB GLU 10 -2.923 -14.081 1.238
43 HB3 GLU 10 2HB GLU 10 -4.222 -13.147 1.967
44 HG2 GLU 10 1HG GLU 10 -5.180 -13.952 0.027
45 HG3 GLU 10 2HG GLU 10 -4.685 -12.321 -0.423
46 H LYS 11 H LYS 11 -2.041 -9.625 0.413
47 HA LYS 11 HA LYS 11 -4.382 -8.378 1.657
48 HB2 LYS 11 1HB LYS 11 -1.865 -7.163 0.503
49 HB3 LYS 11 2HB LYS 11 -3.185 -6.243 1.215
50 HG2 LYS 11 1HG LYS 11 -1.727 -6.364 2.974
51 HG3 LYS 11 2HG LYS 11 -2.748 -7.770 3.287
52 HD2 LYS 11 1HD LYS 11 -1.091 -9.212 2.207
53 HD3 LYS 11 2HD LYS 11 -0.073 -7.806 1.888
54 HE2 LYS 11 1HE LYS 11 -0.943 -8.367 4.685
55 HE3 LYS 11 2HE LYS 11 0.351 -9.335 3.981
56 HZ1 LYS 11 3HZ LYS 11 1.579 -7.310 3.526
57 HZ2 LYS 11 1HZ LYS 11 1.214 -7.417 5.174
58 HZ3 LYS 11 2HZ LYS 11 0.332 -6.372 4.179
59 HA PRO 12 HA PRO 12 -6.441 -7.864 -2.199
60 HB2 PRO 12 1HB PRO 12 -8.009 -5.738 -1.574
61 HB3 PRO 12 2HB PRO 12 -8.314 -7.368 -0.963
62 HG2 PRO 12 1HG PRO 12 -6.970 -5.060 0.389
63 HG3 PRO 12 2HG PRO 12 -8.153 -6.208 1.045
64 HD2 PRO 12 1HD PRO 12 -5.495 -6.423 1.519
65 HD3 PRO 12 2HD PRO 12 -6.562 -7.837 1.400
66 H PHE 13 H PHE 13 -4.342 -5.532 -0.864
67 HA PHE 13 HA PHE 13 -4.262 -4.108 -3.440
68 HB2 PHE 13 1HB PHE 13 -3.542 -2.744 -0.864
69 HB3 PHE 13 2HB PHE 13 -4.016 -2.028 -2.402
70 HD1 PHE 13 HD1 PHE 13 -6.486 -3.212 -3.109
71 HD2 PHE 13 HD2 PHE 13 -5.052 -2.209 0.771
72 HE1 PHE 13 HE1 PHE 13 -8.804 -3.019 -2.306
73 HE2 PHE 13 HE2 PHE 13 -7.367 -2.015 1.580
74 HZ PHE 13 HZ PHE 13 -9.247 -2.421 0.042
75 H LYS 14 H LYS 14 -2.252 -3.591 -4.250
76 HA LYS 14 HA LYS 14 0.131 -4.132 -2.689
77 HB2 LYS 14 1HB LYS 14 -0.482 -6.344 -3.611
78 HB3 LYS 14 2HB LYS 14 -0.433 -5.667 -5.233
79 HG2 LYS 14 1HG LYS 14 2.007 -5.010 -4.564
80 HG3 LYS 14 2HG LYS 14 1.804 -6.295 -3.372
81 HD2 LYS 14 1HD LYS 14 1.690 -7.938 -4.962
82 HD3 LYS 14 2HD LYS 14 1.025 -6.856 -6.187
83 HE2 LYS 14 1HE LYS 14 3.214 -5.787 -6.426
84 HE3 LYS 14 2HE LYS 14 3.876 -6.866 -5.198
85 HZ1 LYS 14 3HZ LYS 14 4.467 -7.880 -7.171
86 HZ2 LYS 14 1HZ LYS 14 3.010 -7.502 -7.943
87 HZ3 LYS 14 2HZ LYS 14 3.052 -8.711 -6.761
88 H CYS 15 H CYS 15 1.823 -2.899 -3.314
89 HA CYS 15 HA CYS 15 1.353 -0.909 -5.344
90 HB2 CYS 15 1HB CYS 15 2.441 -0.019 -3.484
91 HB3 CYS 15 2HB CYS 15 3.510 -1.409 -3.320
92 H GLY 16 H GLY 16 1.720 -1.292 -7.423
93 HA2 GLY 16 1HA GLY 16 3.594 -3.375 -8.219
94 HA3 GLY 16 2HA GLY 16 2.480 -2.515 -9.272
95 H GLU 17 H GLU 17 4.972 -1.299 -7.048
96 HA GLU 17 HA GLU 17 6.417 -0.214 -9.364
97 HB2 GLU 17 1HB GLU 17 5.805 1.325 -6.835
98 HB3 GLU 17 2HB GLU 17 6.754 1.908 -8.195
99 HG2 GLU 17 1HG GLU 17 4.856 1.968 -9.610
100 HG3 GLU 17 2HG GLU 17 3.876 1.085 -8.441
101 H CYS 18 H CYS 18 6.484 -0.980 -5.911
102 HA CYS 18 HA CYS 18 9.375 -1.495 -6.166
103 HB2 CYS 18 1HB CYS 18 9.728 -0.737 -3.924
104 HB3 CYS 18 2HB CYS 18 8.799 0.508 -4.753
105 H GLY 19 H GLY 19 6.372 -2.385 -4.508
106 HA2 GLY 19 1HA GLY 19 5.916 -4.841 -4.565
107 HA3 GLY 19 2HA GLY 19 7.564 -5.040 -3.988
108 H LYS 20 H LYS 20 5.090 -2.719 -2.957
109 HA LYS 20 HA LYS 20 5.221 -3.923 -0.269
110 HB2 LYS 20 1HB LYS 20 5.201 -1.062 -1.153
111 HB3 LYS 20 2HB LYS 20 4.512 -1.488 0.408
112 HG2 LYS 20 1HG LYS 20 6.820 -2.743 0.683
113 HG3 LYS 20 2HG LYS 20 7.334 -1.540 -0.502
114 HD2 LYS 20 1HD LYS 20 6.113 0.124 1.111
115 HD3 LYS 20 2HD LYS 20 6.359 -1.161 2.296
116 HE2 LYS 20 1HE LYS 20 8.804 -1.134 1.520
117 HE3 LYS 20 2HE LYS 20 8.412 0.414 0.773
118 HZ1 LYS 20 3HZ LYS 20 7.426 0.660 3.288
119 HZ2 LYS 20 1HZ LYS 20 8.907 1.277 2.749
120 HZ3 LYS 20 2HZ LYS 20 8.850 -0.219 3.536
121 H SER 21 H SER 21 3.372 -4.736 0.448
122 HA SER 21 HA SER 21 0.870 -3.883 -0.840
123 HB2 SER 21 1HB SER 21 -0.056 -6.041 -0.095
124 HB3 SER 21 2HB SER 21 1.390 -6.272 -1.078
125 HG SER 21 HG SER 21 2.549 -6.745 0.739
126 H TYR 22 H TYR 22 -1.055 -3.744 0.499
127 HA TYR 22 HA TYR 22 -0.618 -3.381 3.358
128 HB2 TYR 22 1HB TYR 22 -1.640 -1.196 1.536
129 HB3 TYR 22 2HB TYR 22 -1.766 -1.155 3.292
130 HD1 TYR 22 HD2 TYR 22 0.585 -1.079 0.451
131 HD2 TYR 22 HD1 TYR 22 0.117 -0.600 4.653
132 HE1 TYR 22 HE2 TYR 22 2.829 -0.082 0.582
133 HE2 TYR 22 HE1 TYR 22 2.360 0.400 4.795
134 HH TYR 22 HH TYR 22 4.064 1.476 2.117
135 H ASN 23 H ASN 23 -2.531 -3.431 4.603
136 HA ASN 23 HA ASN 23 -4.641 -4.978 3.397
137 HB2 ASN 23 1HB ASN 23 -3.981 -4.082 6.179
138 HB3 ASN 23 2HB ASN 23 -5.600 -4.677 5.824
139 HD21 ASN 23 1HD2 ASN 23 -2.834 -5.599 7.112
140 HD22 ASN 23 2HD2 ASN 23 -2.801 -7.270 6.674
141 H GLN 24 H GLN 24 -4.148 -1.679 4.419
142 HA GLN 24 HA GLN 24 -6.959 -1.055 3.842
143 HB2 GLN 24 1HB GLN 24 -4.828 0.463 5.344
144 HB3 GLN 24 2HB GLN 24 -6.378 1.170 4.908
145 HG2 GLN 24 1HG GLN 24 -6.695 0.469 7.090
146 HG3 GLN 24 2HG GLN 24 -7.411 -0.829 6.135
147 HE21 GLN 24 1HE2 GLN 24 -7.159 -2.263 7.870
148 HE22 GLN 24 2HE2 GLN 24 -5.619 -2.935 8.271
149 H ARG 25 H ARG 25 -7.478 0.745 2.500
150 HA ARG 25 HA ARG 25 -5.791 0.939 0.195
151 HB2 ARG 25 1HB ARG 25 -8.402 2.235 0.964
152 HB3 ARG 25 2HB ARG 25 -7.572 2.616 -0.539
153 HG2 ARG 25 1HG ARG 25 -7.883 0.462 -1.393
154 HG3 ARG 25 2HG ARG 25 -8.271 -0.204 0.194
155 HD2 ARG 25 1HD ARG 25 -10.323 1.216 0.205
156 HD3 ARG 25 2HD ARG 25 -9.952 1.675 -1.456
157 HE ARG 25 HE ARG 25 -10.994 -0.861 -0.536
158 HH11 ARG 25 1HH1 ARG 25 -9.445 0.888 -3.118
159 HH12 ARG 25 2HH1 ARG 25 -9.938 -0.230 -4.346
160 HH21 ARG 25 1HH2 ARG 25 -11.649 -2.340 -2.145
161 HH22 ARG 25 2HH2 ARG 25 -11.193 -2.065 -3.792
162 H VAL 26 H VAL 26 -6.796 3.180 2.756
163 HA VAL 26 HA VAL 26 -5.488 5.462 1.789
164 HB VAL 26 HB VAL 26 -7.155 5.559 3.583
165 HG11 VAL 26 1HG1 VAL 26 -6.594 3.562 4.811
166 HG12 VAL 26 2HG1 VAL 26 -5.020 4.230 5.248
167 HG13 VAL 26 3HG1 VAL 26 -6.495 4.952 5.891
168 HG21 VAL 26 3HG2 VAL 26 -4.821 7.045 3.380
169 HG22 VAL 26 1HG2 VAL 26 -6.281 7.493 4.262
170 HG23 VAL 26 2HG2 VAL 26 -4.958 6.683 5.100
171 H HIS 27 H HIS 27 -4.176 2.580 2.885
172 HA HIS 27 HA HIS 27 -1.718 3.791 3.893
173 HB2 HIS 27 1HB HIS 27 -2.922 1.070 3.971
174 HB3 HIS 27 2HB HIS 27 -1.165 1.183 4.018
175 HD1 HIS 27 HD1 HIS 27 -0.145 1.642 6.242
176 HD2 HIS 27 HD2 HIS 27 -4.197 2.554 6.155
177 HE1 HIS 27 HE1 HIS 27 -0.754 2.223 8.611
178 H LEU 28 H LEU 28 -2.991 2.215 1.079
179 HA LEU 28 HA LEU 28 -0.405 1.668 -0.081
180 HB2 LEU 28 1HB LEU 28 -2.274 0.209 -0.576
181 HB3 LEU 28 2HB LEU 28 -3.186 1.563 -1.240
182 HG LEU 28 HG LEU 28 -1.533 1.743 -3.064
183 HD11 LEU 28 1HD1 LEU 28 0.124 0.030 -3.402
184 HD12 LEU 28 2HD1 LEU 28 -0.397 -0.814 -1.944
185 HD13 LEU 28 3HD1 LEU 28 0.369 0.769 -1.819
186 HD21 LEU 28 3HD2 LEU 28 -2.757 0.327 -4.278
187 HD22 LEU 28 1HD2 LEU 28 -3.579 -0.076 -2.770
188 HD23 LEU 28 2HD2 LEU 28 -2.234 -1.069 -3.333
189 H THR 29 H THR 29 -3.090 3.897 -0.784
190 HA THR 29 HA THR 29 -1.906 5.265 -2.903
191 HB THR 29 HB THR 29 -4.323 5.429 -1.944
192 HG1 THR 29 HG1 THR 29 -4.531 7.029 -3.349
193 HG21 THR 29 3HG2 THR 29 -4.792 7.162 -0.439
194 HG22 THR 29 1HG2 THR 29 -3.197 7.887 -0.633
195 HG23 THR 29 2HG2 THR 29 -3.376 6.373 0.254
196 H GLN 30 H GLN 30 -1.611 5.747 0.575
197 HA GLN 30 HA GLN 30 -0.133 8.181 0.375
198 HB2 GLN 30 1HB GLN 30 -0.642 6.228 2.605
199 HB3 GLN 30 2HB GLN 30 0.452 7.588 2.813
200 HG2 GLN 30 1HG GLN 30 -1.336 9.143 2.335
201 HG3 GLN 30 2HG GLN 30 -2.442 7.808 2.016
202 HE21 GLN 30 1HE2 GLN 30 -2.675 9.942 3.961
203 HE22 GLN 30 2HE2 GLN 30 -2.783 9.184 5.509
204 H HIS 31 H HIS 31 0.654 4.901 -0.049
205 HA HIS 31 HA HIS 31 3.480 5.283 0.562
206 HB2 HIS 31 1HB HIS 31 2.772 3.183 1.305
207 HB3 HIS 31 2HB HIS 31 1.783 2.903 -0.125
208 HD1 HIS 31 HD1 HIS 31 5.465 3.169 0.784
209 HD2 HIS 31 HD2 HIS 31 2.972 1.324 -1.980
210 HE1 HIS 31 HE1 HIS 31 6.957 1.658 -0.564
211 H GLN 32 H GLN 32 1.363 4.658 -2.196
212 HA GLN 32 HA GLN 32 3.345 4.323 -4.147
213 HB2 GLN 32 1HB GLN 32 0.560 5.460 -4.445
214 HB3 GLN 32 2HB GLN 32 1.578 4.913 -5.770
215 HG2 GLN 32 1HG GLN 32 1.482 2.658 -5.014
216 HG3 GLN 32 2HG GLN 32 0.693 3.137 -3.512
217 HE21 GLN 32 1HE2 GLN 32 0.295 2.439 -6.857
218 HE22 GLN 32 2HE2 GLN 32 -1.430 2.538 -6.897
219 H ARG 33 H ARG 33 2.181 7.148 -2.542
220 HA ARG 33 HA ARG 33 2.871 9.102 -4.447
221 HB2 ARG 33 1HB ARG 33 2.398 10.652 -2.817
222 HB3 ARG 33 2HB ARG 33 1.545 9.254 -2.176
223 HG2 ARG 33 1HG ARG 33 3.313 8.804 -0.627
224 HG3 ARG 33 2HG ARG 33 4.329 10.049 -1.357
225 HD2 ARG 33 1HD ARG 33 2.798 11.774 -0.641
226 HD3 ARG 33 2HD ARG 33 1.675 10.564 -0.022
227 HE ARG 33 HE ARG 33 3.947 10.051 1.350
228 HH11 ARG 33 1HH1 ARG 33 2.090 12.944 0.798
229 HH12 ARG 33 2HH1 ARG 33 2.520 13.665 2.313
230 HH21 ARG 33 1HH2 ARG 33 4.520 10.991 3.348
231 HH22 ARG 33 2HH2 ARG 33 3.903 12.554 3.762
232 H VAL 34 H VAL 34 4.760 7.303 -2.138
233 HA VAL 34 HA VAL 34 7.036 8.941 -2.015
234 HB VAL 34 HB VAL 34 8.200 7.098 -1.106
235 HG11 VAL 34 1HG1 VAL 34 6.923 6.903 0.714
236 HG12 VAL 34 2HG1 VAL 34 5.708 7.825 -0.173
237 HG13 VAL 34 3HG1 VAL 34 5.650 6.062 -0.170
238 HG21 VAL 34 3HG2 VAL 34 6.591 4.837 -1.440
239 HG22 VAL 34 1HG2 VAL 34 6.676 5.594 -3.031
240 HG23 VAL 34 2HG2 VAL 34 8.159 5.153 -2.184
241 H HIS 35 H HIS 35 5.779 7.082 -4.573
242 HA HIS 35 HA HIS 35 8.367 6.920 -5.935
243 HB2 HIS 35 1HB HIS 35 5.701 5.822 -6.844
244 HB3 HIS 35 2HB HIS 35 7.285 5.449 -7.516
245 HD1 HIS 35 HD1 HIS 35 8.919 4.648 -5.175
246 HD2 HIS 35 HD2 HIS 35 4.907 3.620 -5.507
247 HE1 HIS 35 HE1 HIS 35 8.613 2.642 -3.689
248 H THR 36 H THR 36 5.449 8.730 -5.876
249 HA THR 36 HA THR 36 6.139 10.011 -8.437
250 HB THR 36 HB THR 36 3.739 10.973 -8.178
251 HG1 THR 36 HG1 THR 36 3.265 8.590 -6.750
252 HG21 THR 36 3HG2 THR 36 4.028 8.022 -8.738
253 HG22 THR 36 1HG2 THR 36 4.513 9.289 -9.863
254 HG23 THR 36 2HG2 THR 36 2.820 9.124 -9.398
255 H GLY 37 H GLY 37 7.771 11.293 -7.357
256 HA2 GLY 37 1HA GLY 37 8.543 13.092 -6.124
257 HA3 GLY 37 2HA GLY 37 7.180 13.889 -6.894
258 H GLU 38 H GLU 38 7.030 15.243 -5.024
259 HA GLU 38 HA GLU 38 5.646 13.912 -2.793
260 HB2 GLU 38 1HB GLU 38 7.884 14.545 -2.057
261 HB3 GLU 38 2HB GLU 38 7.620 16.194 -2.607
262 HG2 GLU 38 1HG GLU 38 5.602 16.123 -0.963
263 HG3 GLU 38 2HG GLU 38 6.490 14.785 -0.237
264 H LYS 39 H LYS 39 3.696 14.705 -2.346
265 HA LYS 39 HA LYS 39 2.218 16.358 -3.855
266 HB2 LYS 39 1HB LYS 39 0.730 16.678 -2.015
267 HB3 LYS 39 2HB LYS 39 1.441 15.080 -1.836
268 HG2 LYS 39 1HG LYS 39 3.108 16.155 -0.258
269 HG3 LYS 39 2HG LYS 39 2.057 17.572 -0.281
270 HD2 LYS 39 1HD LYS 39 0.181 16.145 0.472
271 HD3 LYS 39 2HD LYS 39 1.297 14.781 0.580
272 HE2 LYS 39 1HE LYS 39 2.665 16.168 2.172
273 HE3 LYS 39 2HE LYS 39 1.341 17.332 2.181
274 HZ1 LYS 39 3HZ LYS 39 1.299 15.704 4.038
275 HZ2 LYS 39 1HZ LYS 39 1.020 14.475 2.909
276 HZ3 LYS 39 2HZ LYS 39 -0.113 15.715 3.105
277 HA PRO 40 HA PRO 40 3.843 20.442 -3.618
278 HB2 PRO 40 1HB PRO 40 1.616 21.835 -4.305
279 HB3 PRO 40 2HB PRO 40 2.561 20.899 -5.469
280 HG2 PRO 40 1HG PRO 40 0.026 20.162 -4.058
281 HG3 PRO 40 2HG PRO 40 0.474 19.914 -5.756
282 HD2 PRO 40 1HD PRO 40 0.611 17.938 -3.910
283 HD3 PRO 40 2HD PRO 40 1.734 18.043 -5.282
284 H SER 41 H SER 41 4.258 21.619 -1.866
285 HA SER 41 HA SER 41 2.925 21.470 0.546
286 HB2 SER 41 1HB SER 41 5.143 22.357 0.509
287 HB3 SER 41 2HB SER 41 4.675 23.658 -0.586
288 HG SER 41 HG SER 41 4.321 24.769 1.152
289 H GLY 42 H GLY 42 1.280 22.551 1.527
290 HA2 GLY 42 1HA GLY 42 -0.201 24.469 -0.164
291 HA3 GLY 42 2HA GLY 42 -0.971 23.343 0.943
292 HA PRO 43 HA PRO 43 -0.725 27.395 3.119
293 HB2 PRO 43 1HB PRO 43 -3.185 27.185 4.248
294 HB3 PRO 43 2HB PRO 43 -2.926 27.827 2.622
295 HG2 PRO 43 1HG PRO 43 -3.789 25.086 3.461
296 HG3 PRO 43 2HG PRO 43 -4.408 26.100 2.144
297 HD2 PRO 43 1HD PRO 43 -2.669 24.068 1.723
298 HD3 PRO 43 2HD PRO 43 -2.678 25.539 0.729
299 H SER 44 H SER 44 -1.029 24.121 3.997
300 HA SER 44 HA SER 44 -0.990 24.628 6.861
301 HB2 SER 44 1HB SER 44 -0.935 22.132 7.030
302 HB3 SER 44 2HB SER 44 -2.318 22.746 6.124
303 HG SER 44 HG SER 44 -0.924 20.913 5.245
304 H SER 45 H SER 45 1.187 25.755 5.592
305 HA SER 45 HA SER 45 3.494 24.265 5.336
306 HB2 SER 45 1HB SER 45 3.023 27.097 6.242
307 HB3 SER 45 2HB SER 45 4.654 26.431 6.149
308 HG SER 45 HG SER 45 4.046 27.482 4.210
309 H GLY 46 H GLY 46 2.277 25.852 8.287
310 HA2 GLY 46 1HA GLY 46 4.338 24.781 9.948
311 HA3 GLY 46 2HA GLY 46 2.867 25.570 10.496
Start of MODEL 7
1 H1 GLY 1 H GLY 1 16.206 -25.803 -1.175
2 HA2 GLY 1 1HA GLY 1 15.256 -25.084 -3.760
3 HA3 GLY 1 2HA GLY 1 15.661 -26.793 -3.701
4 H SER 2 H SER 2 14.276 -24.763 -1.150
5 HA SER 2 HA SER 2 12.202 -26.721 -0.704
6 HB2 SER 2 1HB SER 2 12.844 -24.095 0.652
7 HB3 SER 2 2HB SER 2 11.523 -25.154 1.145
8 HG SER 2 HG SER 2 14.284 -25.818 1.082
9 H SER 3 H SER 3 10.063 -26.539 -1.155
10 HA SER 3 HA SER 3 9.114 -25.215 -3.314
11 HB2 SER 3 1HB SER 3 7.522 -25.769 -0.798
12 HB3 SER 3 2HB SER 3 6.850 -25.496 -2.406
13 HG SER 3 HG SER 3 8.415 -27.374 -2.907
14 H GLY 4 H GLY 4 8.747 -24.028 0.033
15 HA2 GLY 4 1HA GLY 4 9.491 -21.485 -0.100
16 HA3 GLY 4 2HA GLY 4 7.975 -21.405 -0.985
17 H SER 5 H SER 5 6.652 -23.421 0.631
18 HA SER 5 HA SER 5 5.133 -23.323 2.345
19 HB2 SER 5 1HB SER 5 7.850 -23.101 3.561
20 HB3 SER 5 2HB SER 5 6.450 -22.905 4.615
21 HG SER 5 HG SER 5 6.288 -24.988 4.589
22 H SER 6 H SER 6 4.912 -21.015 1.012
23 HA SER 6 HA SER 6 4.840 -18.934 3.097
24 HB2 SER 6 1HB SER 6 6.247 -18.122 1.384
25 HB3 SER 6 2HB SER 6 5.200 -18.749 0.111
26 HG SER 6 HG SER 6 4.516 -16.660 1.908
27 H GLY 7 H GLY 7 2.830 -19.326 3.953
28 HA2 GLY 7 1HA GLY 7 0.583 -18.600 2.221
29 HA3 GLY 7 2HA GLY 7 0.501 -20.147 3.052
30 H THR 8 H THR 8 0.835 -16.663 3.587
31 HA THR 8 HA THR 8 -0.232 -17.026 6.303
32 HB THR 8 HB THR 8 0.515 -14.655 6.667
33 HG1 THR 8 HG1 THR 8 0.745 -13.803 4.662
34 HG21 THR 8 3HG2 THR 8 2.652 -15.286 7.255
35 HG22 THR 8 1HG2 THR 8 2.897 -16.223 5.782
36 HG23 THR 8 2HG2 THR 8 1.880 -16.861 7.073
37 H GLY 9 H GLY 9 -0.553 -14.876 3.474
38 HA2 GLY 9 1HA GLY 9 -3.299 -14.932 3.271
39 HA3 GLY 9 2HA GLY 9 -2.953 -13.662 4.435
40 H GLU 10 H GLU 10 -4.173 -13.417 1.813
41 HA GLU 10 HA GLU 10 -2.119 -11.880 0.374
42 HB2 GLU 10 1HB GLU 10 -3.592 -13.781 -0.699
43 HB3 GLU 10 2HB GLU 10 -4.795 -12.504 -0.805
44 HG2 GLU 10 1HG GLU 10 -3.501 -11.237 -2.269
45 HG3 GLU 10 2HG GLU 10 -2.024 -12.110 -1.864
46 H LYS 11 H LYS 11 -2.223 -9.733 0.341
47 HA LYS 11 HA LYS 11 -4.349 -8.379 1.732
48 HB2 LYS 11 1HB LYS 11 -1.936 -7.299 0.265
49 HB3 LYS 11 2HB LYS 11 -3.032 -6.335 1.245
50 HG2 LYS 11 1HG LYS 11 -1.220 -6.745 2.644
51 HG3 LYS 11 2HG LYS 11 -2.431 -7.924 3.155
52 HD2 LYS 11 1HD LYS 11 -1.317 -9.692 2.057
53 HD3 LYS 11 2HD LYS 11 -0.294 -8.581 1.143
54 HE2 LYS 11 1HE LYS 11 1.086 -9.458 2.837
55 HE3 LYS 11 2HE LYS 11 0.646 -7.840 3.381
56 HZ1 LYS 11 3HZ LYS 11 -1.156 -9.921 4.250
57 HZ2 LYS 11 1HZ LYS 11 -0.466 -8.649 5.127
58 HZ3 LYS 11 2HZ LYS 11 0.414 -10.069 4.863
59 HA PRO 12 HA PRO 12 -6.893 -7.437 -1.735
60 HB2 PRO 12 1HB PRO 12 -8.145 -5.231 -0.766
61 HB3 PRO 12 2HB PRO 12 -8.509 -6.867 -0.205
62 HG2 PRO 12 1HG PRO 12 -6.771 -4.778 1.050
63 HG3 PRO 12 2HG PRO 12 -7.948 -5.861 1.815
64 HD2 PRO 12 1HD PRO 12 -5.282 -6.334 1.869
65 HD3 PRO 12 2HD PRO 12 -6.483 -7.641 1.837
66 H PHE 13 H PHE 13 -4.360 -5.457 -0.666
67 HA PHE 13 HA PHE 13 -4.448 -3.950 -3.180
68 HB2 PHE 13 1HB PHE 13 -3.593 -2.595 -0.636
69 HB3 PHE 13 2HB PHE 13 -4.065 -1.867 -2.169
70 HD1 PHE 13 HD1 PHE 13 -6.564 -2.488 -2.893
71 HD2 PHE 13 HD2 PHE 13 -5.079 -2.446 1.096
72 HE1 PHE 13 HE1 PHE 13 -8.855 -2.190 -2.047
73 HE2 PHE 13 HE2 PHE 13 -7.368 -2.150 1.948
74 HZ PHE 13 HZ PHE 13 -9.260 -2.022 0.376
75 H LYS 14 H LYS 14 -2.415 -3.291 -3.975
76 HA LYS 14 HA LYS 14 -0.013 -4.034 -2.545
77 HB2 LYS 14 1HB LYS 14 -0.747 -6.152 -3.625
78 HB3 LYS 14 2HB LYS 14 -0.659 -5.352 -5.189
79 HG2 LYS 14 1HG LYS 14 1.810 -4.850 -4.393
80 HG3 LYS 14 2HG LYS 14 1.520 -6.284 -3.405
81 HD2 LYS 14 1HD LYS 14 1.248 -7.658 -5.255
82 HD3 LYS 14 2HD LYS 14 0.867 -6.308 -6.326
83 HE2 LYS 14 1HE LYS 14 3.028 -6.937 -6.949
84 HE3 LYS 14 2HE LYS 14 3.273 -5.540 -5.902
85 HZ1 LYS 14 3HZ LYS 14 3.943 -6.917 -4.134
86 HZ2 LYS 14 1HZ LYS 14 4.761 -7.506 -5.492
87 HZ3 LYS 14 2HZ LYS 14 3.405 -8.325 -4.901
88 H CYS 15 H CYS 15 1.865 -3.097 -3.395
89 HA CYS 15 HA CYS 15 1.349 -0.844 -5.172
90 HB2 CYS 15 1HB CYS 15 2.537 -0.254 -3.192
91 HB3 CYS 15 2HB CYS 15 3.676 -1.581 -3.397
92 H GLY 16 H GLY 16 1.777 -0.935 -7.271
93 HA2 GLY 16 1HA GLY 16 3.440 -3.117 -8.288
94 HA3 GLY 16 2HA GLY 16 2.360 -2.108 -9.237
95 H GLU 17 H GLU 17 4.800 -0.973 -6.957
96 HA GLU 17 HA GLU 17 6.335 0.096 -9.232
97 HB2 GLU 17 1HB GLU 17 5.840 1.513 -6.608
98 HB3 GLU 17 2HB GLU 17 6.758 2.135 -7.972
99 HG2 GLU 17 1HG GLU 17 3.934 1.344 -8.427
100 HG3 GLU 17 2HG GLU 17 4.257 2.835 -7.544
101 H CYS 18 H CYS 18 6.414 -0.798 -5.802
102 HA CYS 18 HA CYS 18 9.272 -1.442 -6.124
103 HB2 CYS 18 1HB CYS 18 9.662 -0.840 -3.837
104 HB3 CYS 18 2HB CYS 18 8.797 0.494 -4.595
105 H GLY 19 H GLY 19 6.213 -2.340 -4.603
106 HA2 GLY 19 1HA GLY 19 5.674 -4.756 -4.763
107 HA3 GLY 19 2HA GLY 19 7.316 -5.055 -4.211
108 H LYS 20 H LYS 20 5.285 -2.518 -2.907
109 HA LYS 20 HA LYS 20 5.318 -3.919 -0.324
110 HB2 LYS 20 1HB LYS 20 5.230 -1.028 -1.107
111 HB3 LYS 20 2HB LYS 20 4.614 -1.522 0.465
112 HG2 LYS 20 1HG LYS 20 6.861 -2.651 0.820
113 HG3 LYS 20 2HG LYS 20 7.411 -1.753 -0.596
114 HD2 LYS 20 1HD LYS 20 6.339 0.273 0.738
115 HD3 LYS 20 2HD LYS 20 6.680 -0.777 2.115
116 HE2 LYS 20 1HE LYS 20 8.721 -0.025 0.029
117 HE3 LYS 20 2HE LYS 20 8.500 0.850 1.543
118 HZ1 LYS 20 3HZ LYS 20 9.143 -1.040 2.780
119 HZ2 LYS 20 1HZ LYS 20 10.291 -0.874 1.549
120 HZ3 LYS 20 2HZ LYS 20 9.085 -2.053 1.427
121 H SER 21 H SER 21 3.498 -4.762 0.434
122 HA SER 21 HA SER 21 0.954 -3.924 -0.777
123 HB2 SER 21 1HB SER 21 0.071 -6.084 -0.143
124 HB3 SER 21 2HB SER 21 1.607 -6.332 -0.974
125 HG SER 21 HG SER 21 0.896 -7.013 1.539
126 H TYR 22 H TYR 22 -0.909 -3.681 0.569
127 HA TYR 22 HA TYR 22 -0.399 -3.335 3.431
128 HB2 TYR 22 1HB TYR 22 -1.578 -1.216 1.624
129 HB3 TYR 22 2HB TYR 22 -1.605 -1.148 3.382
130 HD1 TYR 22 HD2 TYR 22 0.508 -0.907 0.394
131 HD2 TYR 22 HD1 TYR 22 0.402 -0.648 4.639
132 HE1 TYR 22 HE2 TYR 22 2.721 0.165 0.378
133 HE2 TYR 22 HE1 TYR 22 2.614 0.426 4.635
134 HH TYR 22 HH TYR 22 4.076 1.624 3.194
135 H ASN 23 H ASN 23 -2.269 -3.413 4.744
136 HA ASN 23 HA ASN 23 -4.377 -5.035 3.623
137 HB2 ASN 23 1HB ASN 23 -3.237 -5.173 5.995
138 HB3 ASN 23 2HB ASN 23 -4.461 -3.980 6.422
139 HD21 ASN 23 1HD2 ASN 23 -5.860 -5.088 7.616
140 HD22 ASN 23 2HD2 ASN 23 -6.664 -6.536 7.126
141 H GLN 24 H GLN 24 -3.832 -1.767 3.836
142 HA GLN 24 HA GLN 24 -6.708 -1.208 3.594
143 HB2 GLN 24 1HB GLN 24 -4.668 0.385 5.148
144 HB3 GLN 24 2HB GLN 24 -6.261 0.997 4.723
145 HG2 GLN 24 1HG GLN 24 -7.328 -0.699 6.036
146 HG3 GLN 24 2HG GLN 24 -5.783 -1.488 6.348
147 HE21 GLN 24 1HE2 GLN 24 -6.481 -1.245 8.593
148 HE22 GLN 24 2HE2 GLN 24 -6.138 0.237 9.412
149 H ARG 25 H ARG 25 -7.252 -0.076 1.837
150 HA ARG 25 HA ARG 25 -5.469 0.434 -0.232
151 HB2 ARG 25 1HB ARG 25 -7.288 1.784 -1.233
152 HB3 ARG 25 2HB ARG 25 -7.847 0.228 -0.635
153 HG2 ARG 25 1HG ARG 25 -8.602 1.411 1.446
154 HG3 ARG 25 2HG ARG 25 -8.243 2.929 0.621
155 HD2 ARG 25 1HD ARG 25 -10.575 2.475 0.354
156 HD3 ARG 25 2HD ARG 25 -9.787 2.220 -1.203
157 HE ARG 25 HE ARG 25 -9.868 -0.233 0.113
158 HH11 ARG 25 1HH1 ARG 25 -12.084 2.094 -1.228
159 HH12 ARG 25 2HH1 ARG 25 -13.295 0.916 -1.609
160 HH21 ARG 25 1HH2 ARG 25 -11.456 -1.794 -0.384
161 HH22 ARG 25 2HH2 ARG 25 -12.937 -1.295 -1.128
162 H VAL 26 H VAL 26 -6.705 2.607 2.272
163 HA VAL 26 HA VAL 26 -5.680 5.014 1.334
164 HB VAL 26 HB VAL 26 -7.150 5.152 3.164
165 HG11 VAL 26 1HG1 VAL 26 -5.317 3.178 4.484
166 HG12 VAL 26 2HG1 VAL 26 -6.454 4.151 5.420
167 HG13 VAL 26 3HG1 VAL 26 -7.049 3.049 4.177
168 HG21 VAL 26 3HG2 VAL 26 -5.191 6.732 3.183
169 HG22 VAL 26 1HG2 VAL 26 -5.992 6.506 4.738
170 HG23 VAL 26 2HG2 VAL 26 -4.461 5.695 4.408
171 H HIS 27 H HIS 27 -4.100 2.403 3.066
172 HA HIS 27 HA HIS 27 -1.706 3.830 3.653
173 HB2 HIS 27 1HB HIS 27 -2.468 0.922 3.651
174 HB3 HIS 27 2HB HIS 27 -0.796 1.413 3.907
175 HD1 HIS 27 HD1 HIS 27 -2.091 -0.028 6.174
176 HD2 HIS 27 HD2 HIS 27 -2.349 4.095 5.731
177 HE1 HIS 27 HE1 HIS 27 -2.594 0.864 8.470
178 H LEU 28 H LEU 28 -2.833 1.923 0.945
179 HA LEU 28 HA LEU 28 -0.293 1.652 -0.321
180 HB2 LEU 28 1HB LEU 28 -2.246 0.174 -0.733
181 HB3 LEU 28 2HB LEU 28 -3.036 1.514 -1.561
182 HG LEU 28 HG LEU 28 -1.244 1.496 -3.252
183 HD11 LEU 28 1HD1 LEU 28 -0.229 -0.772 -1.570
184 HD12 LEU 28 2HD1 LEU 28 0.635 0.656 -2.138
185 HD13 LEU 28 3HD1 LEU 28 0.188 -0.614 -3.276
186 HD21 LEU 28 3HD2 LEU 28 -2.132 -1.319 -3.227
187 HD22 LEU 28 1HD2 LEU 28 -2.283 -0.088 -4.482
188 HD23 LEU 28 2HD2 LEU 28 -3.401 -0.098 -3.117
189 H THR 29 H THR 29 -3.138 3.637 -1.159
190 HA THR 29 HA THR 29 -1.999 5.136 -3.182
191 HB THR 29 HB THR 29 -4.436 5.127 -2.396
192 HG1 THR 29 HG1 THR 29 -3.306 7.681 -2.956
193 HG21 THR 29 3HG2 THR 29 -3.868 5.825 -0.054
194 HG22 THR 29 1HG2 THR 29 -5.121 6.797 -0.824
195 HG23 THR 29 2HG2 THR 29 -3.477 7.422 -0.690
196 H GLN 30 H GLN 30 -1.961 5.743 0.309
197 HA GLN 30 HA GLN 30 -0.626 8.238 0.152
198 HB2 GLN 30 1HB GLN 30 -1.034 6.243 2.365
199 HB3 GLN 30 2HB GLN 30 -0.067 7.692 2.605
200 HG2 GLN 30 1HG GLN 30 -2.847 7.891 1.530
201 HG3 GLN 30 2HG GLN 30 -2.564 7.702 3.260
202 HE21 GLN 30 1HE2 GLN 30 -3.581 9.786 3.449
203 HE22 GLN 30 2HE2 GLN 30 -2.654 11.219 3.184
204 H HIS 31 H HIS 31 0.475 4.911 0.413
205 HA HIS 31 HA HIS 31 3.203 5.535 0.929
206 HB2 HIS 31 1HB HIS 31 2.734 3.368 1.549
207 HB3 HIS 31 2HB HIS 31 1.677 3.087 0.168
208 HD1 HIS 31 HD1 HIS 31 5.370 3.363 0.976
209 HD2 HIS 31 HD2 HIS 31 2.845 1.754 -1.905
210 HE1 HIS 31 HE1 HIS 31 6.851 1.997 -0.529
211 H GLN 32 H GLN 32 1.294 5.086 -1.975
212 HA GLN 32 HA GLN 32 3.328 4.768 -3.851
213 HB2 GLN 32 1HB GLN 32 0.594 6.017 -4.042
214 HB3 GLN 32 2HB GLN 32 1.654 5.880 -5.438
215 HG2 GLN 32 1HG GLN 32 1.764 3.369 -4.759
216 HG3 GLN 32 2HG GLN 32 0.275 3.741 -3.891
217 HE21 GLN 32 1HE2 GLN 32 -1.023 2.488 -5.182
218 HE22 GLN 32 2HE2 GLN 32 -1.384 2.886 -6.824
219 H ARG 33 H ARG 33 2.614 7.442 -1.901
220 HA ARG 33 HA ARG 33 3.296 9.607 -3.525
221 HB2 ARG 33 1HB ARG 33 3.386 9.099 -0.578
222 HB3 ARG 33 2HB ARG 33 4.128 10.560 -1.217
223 HG2 ARG 33 1HG ARG 33 1.930 11.061 -2.331
224 HG3 ARG 33 2HG ARG 33 1.247 9.728 -1.398
225 HD2 ARG 33 1HD ARG 33 0.832 11.812 -0.252
226 HD3 ARG 33 2HD ARG 33 1.979 10.846 0.676
227 HE ARG 33 HE ARG 33 3.455 12.533 -0.968
228 HH11 ARG 33 1HH1 ARG 33 1.215 12.787 1.685
229 HH12 ARG 33 2HH1 ARG 33 1.894 14.263 2.288
230 HH21 ARG 33 1HH2 ARG 33 4.358 14.475 -0.184
231 HH22 ARG 33 2HH2 ARG 33 3.682 15.222 1.223
232 H VAL 34 H VAL 34 5.264 7.149 -2.099
233 HA VAL 34 HA VAL 34 7.743 8.578 -2.255
234 HB VAL 34 HB VAL 34 8.795 6.372 -1.860
235 HG11 VAL 34 1HG1 VAL 34 8.394 7.357 0.157
236 HG12 VAL 34 2HG1 VAL 34 6.656 7.476 -0.121
237 HG13 VAL 34 3HG1 VAL 34 7.374 5.929 0.331
238 HG21 VAL 34 3HG2 VAL 34 7.743 4.495 -2.410
239 HG22 VAL 34 1HG2 VAL 34 6.502 4.836 -1.204
240 HG23 VAL 34 2HG2 VAL 34 6.310 5.420 -2.857
241 H HIS 35 H HIS 35 5.753 7.078 -4.535
242 HA HIS 35 HA HIS 35 7.995 6.733 -6.412
243 HB2 HIS 35 1HB HIS 35 5.201 5.621 -6.705
244 HB3 HIS 35 2HB HIS 35 6.624 5.204 -7.656
245 HD1 HIS 35 HD1 HIS 35 8.658 4.574 -5.514
246 HD2 HIS 35 HD2 HIS 35 4.687 3.372 -5.290
247 HE1 HIS 35 HE1 HIS 35 8.640 2.600 -3.956
248 H THR 36 H THR 36 5.158 8.538 -5.719
249 HA THR 36 HA THR 36 5.448 9.953 -8.287
250 HB THR 36 HB THR 36 3.385 8.658 -8.375
251 HG1 THR 36 HG1 THR 36 2.916 10.460 -9.425
252 HG21 THR 36 3HG2 THR 36 1.898 8.470 -6.693
253 HG22 THR 36 1HG2 THR 36 2.010 10.177 -6.271
254 HG23 THR 36 2HG2 THR 36 3.224 9.042 -5.682
255 H GLY 37 H GLY 37 6.580 11.701 -7.570
256 HA2 GLY 37 1HA GLY 37 5.206 13.802 -6.312
257 HA3 GLY 37 2HA GLY 37 6.208 13.005 -5.108
258 H GLU 38 H GLU 38 8.215 13.734 -4.882
259 HA GLU 38 HA GLU 38 9.965 15.201 -5.191
260 HB2 GLU 38 1HB GLU 38 10.415 12.973 -6.467
261 HB3 GLU 38 2HB GLU 38 10.209 13.957 -7.909
262 HG2 GLU 38 1HG GLU 38 11.983 15.482 -6.997
263 HG3 GLU 38 2HG GLU 38 12.275 14.270 -5.751
264 H LYS 39 H LYS 39 7.680 16.585 -5.718
265 HA LYS 39 HA LYS 39 8.616 18.491 -7.695
266 HB2 LYS 39 1HB LYS 39 6.365 18.599 -8.790
267 HB3 LYS 39 2HB LYS 39 7.258 17.118 -9.111
268 HG2 LYS 39 1HG LYS 39 5.896 16.206 -7.076
269 HG3 LYS 39 2HG LYS 39 4.808 17.539 -7.472
270 HD2 LYS 39 1HD LYS 39 5.746 15.520 -9.500
271 HD3 LYS 39 2HD LYS 39 4.271 15.320 -8.552
272 HE2 LYS 39 1HE LYS 39 3.443 16.311 -10.453
273 HE3 LYS 39 2HE LYS 39 3.733 17.722 -9.437
274 HZ1 LYS 39 3HZ LYS 39 4.894 18.480 -11.165
275 HZ2 LYS 39 1HZ LYS 39 4.977 16.964 -11.912
276 HZ3 LYS 39 2HZ LYS 39 6.097 17.380 -10.714
277 HA PRO 40 HA PRO 40 7.070 21.302 -4.681
278 HB2 PRO 40 1HB PRO 40 6.892 23.531 -6.220
279 HB3 PRO 40 2HB PRO 40 8.433 22.870 -5.662
280 HG2 PRO 40 1HG PRO 40 7.092 22.563 -8.321
281 HG3 PRO 40 2HG PRO 40 8.800 22.871 -7.958
282 HD2 PRO 40 1HD PRO 40 7.868 20.412 -8.601
283 HD3 PRO 40 2HD PRO 40 9.231 20.656 -7.489
284 H SER 41 H SER 41 5.143 22.085 -3.948
285 HA SER 41 HA SER 41 2.842 21.832 -5.771
286 HB2 SER 41 1HB SER 41 2.725 20.211 -3.968
287 HB3 SER 41 2HB SER 41 2.979 21.478 -2.767
288 HG SER 41 HG SER 41 0.727 21.051 -4.424
289 H GLY 42 H GLY 42 0.888 23.140 -4.593
290 HA2 GLY 42 1HA GLY 42 1.921 25.837 -3.990
291 HA3 GLY 42 2HA GLY 42 0.662 25.605 -5.194
292 HA PRO 43 HA PRO 43 -2.304 26.223 -2.013
293 HB2 PRO 43 1HB PRO 43 -4.446 25.024 -3.172
294 HB3 PRO 43 2HB PRO 43 -3.819 26.590 -3.700
295 HG2 PRO 43 1HG PRO 43 -3.367 23.874 -4.876
296 HG3 PRO 43 2HG PRO 43 -3.698 25.409 -5.700
297 HD2 PRO 43 1HD PRO 43 -1.205 24.370 -5.500
298 HD3 PRO 43 2HD PRO 43 -1.512 26.119 -5.525
299 H SER 44 H SER 44 -1.081 24.713 -0.596
300 HA SER 44 HA SER 44 -2.794 22.556 0.240
301 HB2 SER 44 1HB SER 44 -0.114 22.020 -1.010
302 HB3 SER 44 2HB SER 44 -0.759 20.938 0.225
303 HG SER 44 HG SER 44 -2.642 20.735 -1.122
304 H SER 45 H SER 45 -2.140 21.640 2.300
305 HA SER 45 HA SER 45 -0.524 23.549 3.847
306 HB2 SER 45 1HB SER 45 -1.749 22.626 5.828
307 HB3 SER 45 2HB SER 45 -2.800 23.407 4.646
308 HG SER 45 HG SER 45 -2.958 20.940 5.572
309 H GLY 46 H GLY 46 0.529 22.516 5.838
310 HA2 GLY 46 1HA GLY 46 1.574 20.572 6.797
311 HA3 GLY 46 2HA GLY 46 1.575 19.837 5.201
Start of MODEL 8
1 H1 GLY 1 H GLY 1 24.680 -12.839 -7.107
2 HA2 GLY 1 1HA GLY 1 21.768 -12.640 -7.063
3 HA3 GLY 1 2HA GLY 1 22.729 -13.980 -6.456
4 H SER 2 H SER 2 21.039 -11.146 -5.661
5 HA SER 2 HA SER 2 22.283 -10.920 -3.028
6 HB2 SER 2 1HB SER 2 21.693 -8.892 -4.452
7 HB3 SER 2 2HB SER 2 20.003 -9.255 -4.102
8 HG SER 2 HG SER 2 21.808 -7.993 -2.570
9 H SER 3 H SER 3 20.519 -10.372 -1.252
10 HA SER 3 HA SER 3 19.113 -12.794 -0.795
11 HB2 SER 3 1HB SER 3 20.071 -11.335 1.002
12 HB3 SER 3 2HB SER 3 18.787 -10.169 0.678
13 HG SER 3 HG SER 3 17.350 -11.471 1.576
14 H GLY 4 H GLY 4 17.580 -13.148 -2.372
15 HA2 GLY 4 1HA GLY 4 15.252 -11.340 -2.262
16 HA3 GLY 4 2HA GLY 4 15.871 -11.908 -3.806
17 H SER 5 H SER 5 13.231 -12.281 -2.552
18 HA SER 5 HA SER 5 12.874 -15.024 -3.211
19 HB2 SER 5 1HB SER 5 13.835 -15.079 -0.830
20 HB3 SER 5 2HB SER 5 12.293 -14.391 -0.320
21 HG SER 5 HG SER 5 11.490 -16.307 -1.718
22 H SER 6 H SER 6 10.826 -15.365 -3.853
23 HA SER 6 HA SER 6 9.044 -13.298 -4.260
24 HB2 SER 6 1HB SER 6 8.815 -16.271 -4.276
25 HB3 SER 6 2HB SER 6 7.322 -15.332 -4.308
26 HG SER 6 HG SER 6 7.757 -14.692 -6.277
27 H GLY 7 H GLY 7 6.779 -13.139 -3.390
28 HA2 GLY 7 1HA GLY 7 6.383 -13.994 -0.653
29 HA3 GLY 7 2HA GLY 7 6.646 -12.267 -0.842
30 H THR 8 H THR 8 4.598 -14.939 -1.951
31 HA THR 8 HA THR 8 2.624 -13.473 -3.236
32 HB THR 8 HB THR 8 2.174 -15.973 -1.596
33 HG1 THR 8 HG1 THR 8 3.851 -15.816 -3.464
34 HG21 THR 8 3HG2 THR 8 0.614 -15.934 -3.939
35 HG22 THR 8 1HG2 THR 8 0.441 -14.342 -3.201
36 HG23 THR 8 2HG2 THR 8 0.058 -15.790 -2.271
37 H GLY 9 H GLY 9 1.715 -11.700 -2.375
38 HA2 GLY 9 1HA GLY 9 1.043 -11.605 0.452
39 HA3 GLY 9 2HA GLY 9 0.887 -10.290 -0.703
40 H GLU 10 H GLU 10 -0.967 -11.592 1.333
41 HA GLU 10 HA GLU 10 -3.166 -12.330 -0.468
42 HB2 GLU 10 1HB GLU 10 -2.563 -12.905 2.405
43 HB3 GLU 10 2HB GLU 10 -4.235 -12.921 1.861
44 HG2 GLU 10 1HG GLU 10 -2.027 -14.568 0.652
45 HG3 GLU 10 2HG GLU 10 -3.171 -15.147 1.860
46 H LYS 11 H LYS 11 -2.089 -9.574 0.297
47 HA LYS 11 HA LYS 11 -4.277 -8.364 1.740
48 HB2 LYS 11 1HB LYS 11 -1.704 -7.424 0.566
49 HB3 LYS 11 2HB LYS 11 -2.970 -6.233 0.832
50 HG2 LYS 11 1HG LYS 11 -1.832 -6.096 2.806
51 HG3 LYS 11 2HG LYS 11 -3.053 -7.301 3.220
52 HD2 LYS 11 1HD LYS 11 -0.478 -8.253 2.078
53 HD3 LYS 11 2HD LYS 11 -0.482 -7.674 3.746
54 HE2 LYS 11 1HE LYS 11 -2.574 -9.232 3.960
55 HE3 LYS 11 2HE LYS 11 -1.885 -10.018 2.541
56 HZ1 LYS 11 3HZ LYS 11 0.188 -9.647 4.350
57 HZ2 LYS 11 1HZ LYS 11 -0.533 -11.107 3.891
58 HZ3 LYS 11 2HZ LYS 11 -1.112 -10.265 5.238
59 HA PRO 12 HA PRO 12 -6.878 -7.466 -1.691
60 HB2 PRO 12 1HB PRO 12 -8.158 -5.273 -0.731
61 HB3 PRO 12 2HB PRO 12 -8.484 -6.908 -0.145
62 HG2 PRO 12 1HG PRO 12 -6.768 -4.770 1.059
63 HG3 PRO 12 2HG PRO 12 -7.913 -5.866 1.854
64 HD2 PRO 12 1HD PRO 12 -5.238 -6.288 1.875
65 HD3 PRO 12 2HD PRO 12 -6.414 -7.617 1.877
66 H PHE 13 H PHE 13 -4.332 -5.480 -0.728
67 HA PHE 13 HA PHE 13 -4.456 -4.027 -3.260
68 HB2 PHE 13 1HB PHE 13 -3.753 -2.548 -0.735
69 HB3 PHE 13 2HB PHE 13 -4.156 -1.888 -2.316
70 HD1 PHE 13 HD1 PHE 13 -6.576 -2.445 -3.165
71 HD2 PHE 13 HD2 PHE 13 -5.356 -2.542 0.912
72 HE1 PHE 13 HE1 PHE 13 -8.920 -2.185 -2.461
73 HE2 PHE 13 HE2 PHE 13 -7.697 -2.283 1.622
74 HZ PHE 13 HZ PHE 13 -9.482 -2.105 -0.064
75 H LYS 14 H LYS 14 -2.457 -3.449 -4.102
76 HA LYS 14 HA LYS 14 -0.050 -3.959 -2.563
77 HB2 LYS 14 1HB LYS 14 -0.702 -6.169 -3.530
78 HB3 LYS 14 2HB LYS 14 -0.563 -5.462 -5.135
79 HG2 LYS 14 1HG LYS 14 1.807 -5.014 -4.729
80 HG3 LYS 14 2HG LYS 14 1.664 -5.739 -3.126
81 HD2 LYS 14 1HD LYS 14 0.772 -7.806 -4.405
82 HD3 LYS 14 2HD LYS 14 1.516 -7.050 -5.817
83 HE2 LYS 14 1HE LYS 14 3.201 -8.432 -5.026
84 HE3 LYS 14 2HE LYS 14 3.615 -6.871 -4.319
85 HZ1 LYS 14 3HZ LYS 14 1.872 -8.537 -2.712
86 HZ2 LYS 14 1HZ LYS 14 3.206 -7.604 -2.253
87 HZ3 LYS 14 2HZ LYS 14 3.439 -9.138 -2.925
88 H CYS 15 H CYS 15 1.757 -2.910 -3.359
89 HA CYS 15 HA CYS 15 1.205 -0.828 -5.306
90 HB2 CYS 15 1HB CYS 15 2.354 0.046 -3.478
91 HB3 CYS 15 2HB CYS 15 3.404 -1.360 -3.338
92 H GLY 16 H GLY 16 1.760 -0.922 -7.380
93 HA2 GLY 16 1HA GLY 16 3.471 -3.133 -8.265
94 HA3 GLY 16 2HA GLY 16 2.388 -2.195 -9.282
95 H GLU 17 H GLU 17 4.891 -1.097 -7.017
96 HA GLU 17 HA GLU 17 6.373 0.011 -9.303
97 HB2 GLU 17 1HB GLU 17 6.045 1.481 -6.692
98 HB3 GLU 17 2HB GLU 17 6.702 2.093 -8.203
99 HG2 GLU 17 1HG GLU 17 3.891 1.138 -8.174
100 HG3 GLU 17 2HG GLU 17 4.265 2.684 -7.415
101 H CYS 18 H CYS 18 6.500 -0.738 -5.830
102 HA CYS 18 HA CYS 18 9.349 -1.414 -6.173
103 HB2 CYS 18 1HB CYS 18 9.743 -0.775 -3.889
104 HB3 CYS 18 2HB CYS 18 8.894 0.547 -4.683
105 H GLY 19 H GLY 19 6.345 -2.262 -4.490
106 HA2 GLY 19 1HA GLY 19 5.796 -4.694 -4.629
107 HA3 GLY 19 2HA GLY 19 7.448 -4.977 -4.103
108 H LYS 20 H LYS 20 4.937 -2.728 -2.962
109 HA LYS 20 HA LYS 20 5.207 -3.950 -0.293
110 HB2 LYS 20 1HB LYS 20 4.987 -1.078 -1.128
111 HB3 LYS 20 2HB LYS 20 4.426 -1.578 0.462
112 HG2 LYS 20 1HG LYS 20 6.791 -2.665 0.639
113 HG3 LYS 20 2HG LYS 20 7.194 -1.518 -0.640
114 HD2 LYS 20 1HD LYS 20 7.711 -0.371 1.328
115 HD3 LYS 20 2HD LYS 20 6.120 0.250 0.882
116 HE2 LYS 20 1HE LYS 20 5.058 -0.867 2.593
117 HE3 LYS 20 2HE LYS 20 6.304 -2.110 2.697
118 HZ1 LYS 20 3HZ LYS 20 7.438 0.386 3.319
119 HZ2 LYS 20 1HZ LYS 20 7.275 -0.974 4.311
120 HZ3 LYS 20 2HZ LYS 20 6.043 0.183 4.254
121 H SER 21 H SER 21 3.404 -4.703 0.623
122 HA SER 21 HA SER 21 0.844 -4.094 -0.692
123 HB2 SER 21 1HB SER 21 0.051 -6.219 0.372
124 HB3 SER 21 2HB SER 21 1.373 -6.451 -0.772
125 HG SER 21 HG SER 21 2.635 -7.074 0.805
126 H TYR 22 H TYR 22 -0.970 -3.564 0.528
127 HA TYR 22 HA TYR 22 -0.555 -3.067 3.390
128 HB2 TYR 22 1HB TYR 22 -1.735 -1.065 1.452
129 HB3 TYR 22 2HB TYR 22 -1.620 -0.861 3.196
130 HD1 TYR 22 HD2 TYR 22 0.409 -1.238 0.113
131 HD2 TYR 22 HD1 TYR 22 0.336 -0.001 4.183
132 HE1 TYR 22 HE2 TYR 22 2.639 -0.237 -0.157
133 HE2 TYR 22 HE1 TYR 22 2.565 1.004 3.924
134 HH TYR 22 HH TYR 22 4.286 1.343 2.566
135 H ASN 23 H ASN 23 -2.246 -3.604 4.640
136 HA ASN 23 HA ASN 23 -4.377 -5.108 3.617
137 HB2 ASN 23 1HB ASN 23 -5.320 -4.968 5.900
138 HB3 ASN 23 2HB ASN 23 -3.605 -5.371 5.914
139 HD21 ASN 23 1HD2 ASN 23 -4.929 -4.364 8.126
140 HD22 ASN 23 2HD2 ASN 23 -4.316 -2.787 8.477
141 H GLN 24 H GLN 24 -4.095 -1.699 4.397
142 HA GLN 24 HA GLN 24 -6.892 -1.296 3.581
143 HB2 GLN 24 1HB GLN 24 -5.045 0.223 5.381
144 HB3 GLN 24 2HB GLN 24 -6.361 1.072 4.581
145 HG2 GLN 24 1HG GLN 24 -6.758 -1.383 6.268
146 HG3 GLN 24 2HG GLN 24 -6.847 0.262 6.897
147 HE21 GLN 24 1HE2 GLN 24 -8.975 -1.465 7.086
148 HE22 GLN 24 2HE2 GLN 24 -10.255 -0.916 6.065
149 H ARG 25 H ARG 25 -7.384 -0.108 1.822
150 HA ARG 25 HA ARG 25 -5.508 0.313 -0.193
151 HB2 ARG 25 1HB ARG 25 -7.272 1.679 -1.288
152 HB3 ARG 25 2HB ARG 25 -7.856 0.125 -0.710
153 HG2 ARG 25 1HG ARG 25 -8.813 1.223 1.259
154 HG3 ARG 25 2HG ARG 25 -8.242 2.781 0.656
155 HD2 ARG 25 1HD ARG 25 -10.123 0.968 -0.848
156 HD3 ARG 25 2HD ARG 25 -10.648 2.299 0.182
157 HE ARG 25 HE ARG 25 -9.957 3.798 -1.431
158 HH11 ARG 25 1HH1 ARG 25 -8.888 0.585 -2.238
159 HH12 ARG 25 2HH1 ARG 25 -8.412 1.007 -3.850
160 HH21 ARG 25 1HH2 ARG 25 -9.335 4.366 -3.550
161 HH22 ARG 25 2HH2 ARG 25 -8.666 3.159 -4.595
162 H VAL 26 H VAL 26 -6.865 2.591 2.159
163 HA VAL 26 HA VAL 26 -5.654 4.920 1.182
164 HB VAL 26 HB VAL 26 -7.453 4.930 2.868
165 HG11 VAL 26 1HG1 VAL 26 -7.236 3.473 4.551
166 HG12 VAL 26 2HG1 VAL 26 -5.484 3.382 4.364
167 HG13 VAL 26 3HG1 VAL 26 -6.206 4.692 5.299
168 HG21 VAL 26 3HG2 VAL 26 -4.936 6.314 3.793
169 HG22 VAL 26 1HG2 VAL 26 -6.039 6.907 2.550
170 HG23 VAL 26 2HG2 VAL 26 -6.588 6.763 4.220
171 H HIS 27 H HIS 27 -4.342 2.242 2.898
172 HA HIS 27 HA HIS 27 -2.018 3.664 3.865
173 HB2 HIS 27 1HB HIS 27 -2.906 0.793 3.923
174 HB3 HIS 27 2HB HIS 27 -1.259 1.235 4.363
175 HD1 HIS 27 HD1 HIS 27 -2.062 0.213 6.741
176 HD2 HIS 27 HD2 HIS 27 -3.738 3.841 5.607
177 HE1 HIS 27 HE1 HIS 27 -3.019 1.199 8.847
178 H LEU 28 H LEU 28 -2.982 2.219 0.957
179 HA LEU 28 HA LEU 28 -0.258 1.645 0.084
180 HB2 LEU 28 1HB LEU 28 -1.796 -0.006 -0.580
181 HB3 LEU 28 2HB LEU 28 -2.970 1.193 -1.119
182 HG LEU 28 HG LEU 28 -1.351 1.784 -2.960
183 HD11 LEU 28 1HD1 LEU 28 0.020 -0.658 -1.869
184 HD12 LEU 28 2HD1 LEU 28 0.701 0.943 -2.154
185 HD13 LEU 28 3HD1 LEU 28 0.257 -0.081 -3.519
186 HD21 LEU 28 3HD2 LEU 28 -3.326 0.420 -3.361
187 HD22 LEU 28 1HD2 LEU 28 -2.441 -1.028 -2.881
188 HD23 LEU 28 2HD2 LEU 28 -1.969 -0.147 -4.335
189 H THR 29 H THR 29 -3.012 3.665 -0.916
190 HA THR 29 HA THR 29 -1.766 5.014 -3.009
191 HB THR 29 HB THR 29 -4.242 5.077 -2.273
192 HG1 THR 29 HG1 THR 29 -4.244 7.425 -3.096
193 HG21 THR 29 3HG2 THR 29 -3.200 7.453 -0.726
194 HG22 THR 29 1HG2 THR 29 -3.799 5.959 -0.007
195 HG23 THR 29 2HG2 THR 29 -4.890 6.993 -0.929
196 H GLN 30 H GLN 30 -1.670 5.598 0.454
197 HA GLN 30 HA GLN 30 -0.400 8.140 0.295
198 HB2 GLN 30 1HB GLN 30 -0.810 6.134 2.491
199 HB3 GLN 30 2HB GLN 30 0.213 7.542 2.744
200 HG2 GLN 30 1HG GLN 30 -1.651 9.012 2.225
201 HG3 GLN 30 2HG GLN 30 -2.681 7.614 1.922
202 HE21 GLN 30 1HE2 GLN 30 -3.722 9.202 3.655
203 HE22 GLN 30 2HE2 GLN 30 -3.517 8.667 5.285
204 H HIS 31 H HIS 31 0.717 4.846 0.277
205 HA HIS 31 HA HIS 31 3.455 5.471 0.859
206 HB2 HIS 31 1HB HIS 31 3.017 3.282 1.420
207 HB3 HIS 31 2HB HIS 31 1.939 3.033 0.049
208 HD1 HIS 31 HD1 HIS 31 5.655 3.401 0.743
209 HD2 HIS 31 HD2 HIS 31 3.070 1.689 -2.023
210 HE1 HIS 31 HE1 HIS 31 7.118 2.073 -0.812
211 H GLN 32 H GLN 32 1.562 4.868 -2.061
212 HA GLN 32 HA GLN 32 3.593 4.729 -3.937
213 HB2 GLN 32 1HB GLN 32 0.871 6.006 -4.251
214 HB3 GLN 32 2HB GLN 32 1.926 5.522 -5.573
215 HG2 GLN 32 1HG GLN 32 1.812 3.179 -4.487
216 HG3 GLN 32 2HG GLN 32 0.389 3.817 -3.664
217 HE21 GLN 32 1HE2 GLN 32 -0.902 2.295 -4.753
218 HE22 GLN 32 2HE2 GLN 32 -1.344 2.513 -6.409
219 H ARG 33 H ARG 33 2.596 7.395 -2.043
220 HA ARG 33 HA ARG 33 3.076 9.624 -3.531
221 HB2 ARG 33 1HB ARG 33 3.783 9.016 -0.668
222 HB3 ARG 33 2HB ARG 33 4.063 10.603 -1.373
223 HG2 ARG 33 1HG ARG 33 1.682 10.807 -1.871
224 HG3 ARG 33 2HG ARG 33 1.400 9.211 -1.173
225 HD2 ARG 33 1HD ARG 33 2.214 10.015 0.989
226 HD3 ARG 33 2HD ARG 33 2.504 11.607 0.290
227 HE ARG 33 HE ARG 33 -0.186 10.859 -0.108
228 HH11 ARG 33 1HH1 ARG 33 2.011 11.879 2.393
229 HH12 ARG 33 2HH1 ARG 33 0.774 12.607 3.364
230 HH21 ARG 33 1HH2 ARG 33 -1.824 11.813 1.162
231 HH22 ARG 33 2HH2 ARG 33 -1.407 12.568 2.664
232 H VAL 34 H VAL 34 5.533 7.627 -1.918
233 HA VAL 34 HA VAL 34 7.781 9.130 -2.599
234 HB VAL 34 HB VAL 34 9.104 7.222 -2.102
235 HG11 VAL 34 1HG1 VAL 34 7.653 8.231 -0.268
236 HG12 VAL 34 2HG1 VAL 34 6.643 6.792 -0.432
237 HG13 VAL 34 3HG1 VAL 34 8.336 6.635 0.039
238 HG21 VAL 34 3HG2 VAL 34 8.019 4.947 -1.879
239 HG22 VAL 34 1HG2 VAL 34 6.631 5.627 -2.728
240 HG23 VAL 34 2HG2 VAL 34 8.203 5.557 -3.523
241 H HIS 35 H HIS 35 6.043 6.657 -4.415
242 HA HIS 35 HA HIS 35 7.948 6.585 -6.561
243 HB2 HIS 35 1HB HIS 35 5.090 5.600 -6.573
244 HB3 HIS 35 2HB HIS 35 6.382 5.116 -7.667
245 HD1 HIS 35 HD1 HIS 35 8.610 4.449 -5.717
246 HD2 HIS 35 HD2 HIS 35 4.646 3.360 -5.114
247 HE1 HIS 35 HE1 HIS 35 8.684 2.485 -4.149
248 H THR 36 H THR 36 5.580 8.767 -5.638
249 HA THR 36 HA THR 36 5.452 9.872 -8.368
250 HB THR 36 HB THR 36 3.227 10.583 -8.080
251 HG1 THR 36 HG1 THR 36 2.239 10.750 -6.126
252 HG21 THR 36 3HG2 THR 36 3.526 8.117 -8.425
253 HG22 THR 36 1HG2 THR 36 1.994 8.570 -7.679
254 HG23 THR 36 2HG2 THR 36 3.295 7.906 -6.690
255 H GLY 37 H GLY 37 7.522 10.602 -6.770
256 HA2 GLY 37 1HA GLY 37 7.083 13.430 -6.513
257 HA3 GLY 37 2HA GLY 37 7.296 12.636 -4.960
258 H GLU 38 H GLU 38 9.079 14.515 -5.515
259 HA GLU 38 HA GLU 38 11.338 14.848 -5.448
260 HB2 GLU 38 1HB GLU 38 11.314 12.487 -4.445
261 HB3 GLU 38 2HB GLU 38 11.751 11.928 -6.053
262 HG2 GLU 38 1HG GLU 38 13.840 12.895 -5.972
263 HG3 GLU 38 2HG GLU 38 13.364 14.066 -4.743
264 H LYS 39 H LYS 39 9.813 15.174 -7.813
265 HA LYS 39 HA LYS 39 11.956 14.918 -9.788
266 HB2 LYS 39 1HB LYS 39 10.344 14.205 -11.521
267 HB3 LYS 39 2HB LYS 39 10.520 13.016 -10.237
268 HG2 LYS 39 1HG LYS 39 8.441 13.950 -9.205
269 HG3 LYS 39 2HG LYS 39 8.239 14.930 -10.659
270 HD2 LYS 39 1HD LYS 39 8.440 12.689 -11.924
271 HD3 LYS 39 2HD LYS 39 8.106 11.950 -10.356
272 HE2 LYS 39 1HE LYS 39 6.336 14.132 -11.366
273 HE3 LYS 39 2HE LYS 39 6.153 12.501 -12.008
274 HZ1 LYS 39 3HZ LYS 39 4.749 13.132 -10.008
275 HZ2 LYS 39 1HZ LYS 39 6.172 13.027 -9.100
276 HZ3 LYS 39 2HZ LYS 39 5.590 11.667 -9.919
277 HA PRO 40 HA PRO 40 10.897 19.106 -10.638
278 HB2 PRO 40 1HB PRO 40 11.972 19.329 -13.120
279 HB3 PRO 40 2HB PRO 40 12.953 19.263 -11.651
280 HG2 PRO 40 1HG PRO 40 12.307 17.082 -13.597
281 HG3 PRO 40 2HG PRO 40 13.854 17.467 -12.821
282 HD2 PRO 40 1HD PRO 40 12.248 15.467 -11.954
283 HD3 PRO 40 2HD PRO 40 13.276 16.410 -10.856
284 H SER 41 H SER 41 10.184 16.670 -13.112
285 HA SER 41 HA SER 41 8.501 16.469 -14.633
286 HB2 SER 41 1HB SER 41 7.262 16.586 -12.363
287 HB3 SER 41 2HB SER 41 6.813 18.219 -12.857
288 HG SER 41 HG SER 41 6.416 16.144 -14.682
289 H GLY 42 H GLY 42 10.337 18.629 -15.026
290 HA2 GLY 42 1HA GLY 42 10.461 20.167 -16.790
291 HA3 GLY 42 2HA GLY 42 8.706 20.236 -16.825
292 HA PRO 43 HA PRO 43 10.195 24.195 -14.977
293 HB2 PRO 43 1HB PRO 43 8.419 25.747 -16.320
294 HB3 PRO 43 2HB PRO 43 9.978 25.266 -16.998
295 HG2 PRO 43 1HG PRO 43 7.264 24.097 -17.475
296 HG3 PRO 43 2HG PRO 43 8.552 24.448 -18.642
297 HD2 PRO 43 1HD PRO 43 8.090 21.956 -17.689
298 HD3 PRO 43 2HD PRO 43 9.713 22.523 -18.131
299 H SER 44 H SER 44 7.422 22.305 -14.889
300 HA SER 44 HA SER 44 5.441 23.819 -13.756
301 HB2 SER 44 1HB SER 44 6.281 20.973 -13.435
302 HB3 SER 44 2HB SER 44 5.066 21.610 -12.327
303 HG SER 44 HG SER 44 4.949 21.359 -15.134
304 H SER 45 H SER 45 8.343 22.555 -12.214
305 HA SER 45 HA SER 45 7.558 23.771 -9.669
306 HB2 SER 45 1HB SER 45 9.774 21.855 -10.412
307 HB3 SER 45 2HB SER 45 9.635 22.592 -8.815
308 HG SER 45 HG SER 45 7.471 21.665 -8.767
309 H GLY 46 H GLY 46 8.101 25.831 -9.401
310 HA2 GLY 46 1HA GLY 46 10.579 26.810 -10.661
311 HA3 GLY 46 2HA GLY 46 9.211 27.815 -10.206
Start of MODEL 9
1 H1 GLY 1 H GLY 1 14.385 -29.343 6.969
2 HA2 GLY 1 1HA GLY 1 13.790 -29.614 4.175
3 HA3 GLY 1 2HA GLY 1 12.360 -29.780 5.182
4 H SER 2 H SER 2 12.043 -27.814 3.591
5 HA SER 2 HA SER 2 13.250 -25.347 4.385
6 HB2 SER 2 1HB SER 2 12.280 -25.879 2.093
7 HB3 SER 2 2HB SER 2 10.687 -25.658 2.816
8 HG SER 2 HG SER 2 11.552 -23.746 1.816
9 H SER 3 H SER 3 11.800 -23.446 4.995
10 HA SER 3 HA SER 3 9.513 -24.091 6.641
11 HB2 SER 3 1HB SER 3 10.470 -23.097 8.696
12 HB3 SER 3 2HB SER 3 11.334 -24.553 8.203
13 HG SER 3 HG SER 3 12.888 -23.139 7.210
14 H GLY 4 H GLY 4 8.083 -22.473 6.569
15 HA2 GLY 4 1HA GLY 4 9.022 -19.726 6.201
16 HA3 GLY 4 2HA GLY 4 7.966 -20.392 4.964
17 H SER 5 H SER 5 5.963 -19.681 5.183
18 HA SER 5 HA SER 5 4.125 -18.699 6.160
19 HB2 SER 5 1HB SER 5 3.035 -20.232 7.809
20 HB3 SER 5 2HB SER 5 3.572 -21.047 6.340
21 HG SER 5 HG SER 5 4.476 -22.332 7.760
22 H SER 6 H SER 6 6.177 -17.243 7.010
23 HA SER 6 HA SER 6 6.264 -17.156 9.905
24 HB2 SER 6 1HB SER 6 7.923 -15.439 9.644
25 HB3 SER 6 2HB SER 6 8.268 -16.689 8.449
26 HG SER 6 HG SER 6 8.364 -14.593 7.542
27 H GLY 7 H GLY 7 3.692 -16.826 9.233
28 HA2 GLY 7 1HA GLY 7 1.875 -15.438 9.457
29 HA3 GLY 7 2HA GLY 7 2.922 -14.479 10.493
30 H THR 8 H THR 8 2.902 -15.143 6.992
31 HA THR 8 HA THR 8 3.482 -12.369 6.435
32 HB THR 8 HB THR 8 2.893 -14.591 4.472
33 HG1 THR 8 HG1 THR 8 5.313 -14.484 4.344
34 HG21 THR 8 3HG2 THR 8 4.612 -12.222 3.897
35 HG22 THR 8 1HG2 THR 8 2.860 -12.034 3.851
36 HG23 THR 8 2HG2 THR 8 3.649 -13.207 2.796
37 H GLY 9 H GLY 9 0.896 -14.615 5.411
38 HA2 GLY 9 1HA GLY 9 -1.375 -14.218 5.189
39 HA3 GLY 9 2HA GLY 9 -1.117 -12.596 5.812
40 H GLU 10 H GLU 10 -2.725 -12.082 4.114
41 HA GLU 10 HA GLU 10 -1.326 -11.354 1.656
42 HB2 GLU 10 1HB GLU 10 -3.944 -12.861 1.725
43 HB3 GLU 10 2HB GLU 10 -3.292 -12.077 0.292
44 HG2 GLU 10 1HG GLU 10 -1.311 -13.528 0.428
45 HG3 GLU 10 2HG GLU 10 -2.027 -14.342 1.818
46 H LYS 11 H LYS 11 -2.314 -9.617 0.499
47 HA LYS 11 HA LYS 11 -4.368 -8.147 2.008
48 HB2 LYS 11 1HB LYS 11 -1.735 -7.145 0.959
49 HB3 LYS 11 2HB LYS 11 -3.090 -6.048 1.193
50 HG2 LYS 11 1HG LYS 11 -2.066 -5.806 3.202
51 HG3 LYS 11 2HG LYS 11 -3.118 -7.170 3.587
52 HD2 LYS 11 1HD LYS 11 -1.139 -8.636 2.846
53 HD3 LYS 11 2HD LYS 11 -0.174 -7.167 2.999
54 HE2 LYS 11 1HE LYS 11 -0.383 -7.103 5.273
55 HE3 LYS 11 2HE LYS 11 -1.952 -7.906 5.261
56 HZ1 LYS 11 3HZ LYS 11 -0.597 -9.933 4.483
57 HZ2 LYS 11 1HZ LYS 11 -0.555 -9.507 6.120
58 HZ3 LYS 11 2HZ LYS 11 0.736 -9.099 5.106
59 HA PRO 12 HA PRO 12 -6.443 -7.852 -1.864
60 HB2 PRO 12 1HB PRO 12 -8.015 -5.699 -1.349
61 HB3 PRO 12 2HB PRO 12 -8.312 -7.295 -0.650
62 HG2 PRO 12 1HG PRO 12 -6.971 -4.913 0.570
63 HG3 PRO 12 2HG PRO 12 -8.147 -6.026 1.292
64 HD2 PRO 12 1HD PRO 12 -5.488 -6.208 1.768
65 HD3 PRO 12 2HD PRO 12 -6.551 -7.629 1.730
66 H PHE 13 H PHE 13 -4.440 -5.351 -0.618
67 HA PHE 13 HA PHE 13 -4.381 -4.063 -3.268
68 HB2 PHE 13 1HB PHE 13 -3.585 -2.682 -0.713
69 HB3 PHE 13 2HB PHE 13 -3.978 -1.961 -2.270
70 HD1 PHE 13 HD1 PHE 13 -6.377 -2.112 -3.083
71 HD2 PHE 13 HD2 PHE 13 -5.219 -2.955 0.925
72 HE1 PHE 13 HE1 PHE 13 -8.701 -1.785 -2.347
73 HE2 PHE 13 HE2 PHE 13 -7.542 -2.630 1.668
74 HZ PHE 13 HZ PHE 13 -9.287 -2.045 0.031
75 H LYS 14 H LYS 14 -2.350 -3.369 -4.056
76 HA LYS 14 HA LYS 14 0.055 -4.077 -2.612
77 HB2 LYS 14 1HB LYS 14 -0.715 -6.199 -3.730
78 HB3 LYS 14 2HB LYS 14 -0.490 -5.392 -5.276
79 HG2 LYS 14 1HG LYS 14 1.852 -5.208 -4.935
80 HG3 LYS 14 2HG LYS 14 1.709 -5.720 -3.252
81 HD2 LYS 14 1HD LYS 14 1.431 -7.924 -3.804
82 HD3 LYS 14 2HD LYS 14 0.702 -7.553 -5.368
83 HE2 LYS 14 1HE LYS 14 2.953 -6.779 -6.136
84 HE3 LYS 14 2HE LYS 14 3.617 -7.381 -4.618
85 HZ1 LYS 14 3HZ LYS 14 3.713 -9.401 -5.482
86 HZ2 LYS 14 1HZ LYS 14 3.142 -8.808 -6.960
87 HZ3 LYS 14 2HZ LYS 14 2.053 -9.393 -5.806
88 H CYS 15 H CYS 15 1.904 -3.080 -3.419
89 HA CYS 15 HA CYS 15 1.369 -0.938 -5.343
90 HB2 CYS 15 1HB CYS 15 2.289 -0.156 -3.270
91 HB3 CYS 15 2HB CYS 15 3.579 -1.352 -3.326
92 H GLY 16 H GLY 16 1.942 -1.232 -7.387
93 HA2 GLY 16 1HA GLY 16 3.707 -3.367 -8.160
94 HA3 GLY 16 2HA GLY 16 2.914 -2.226 -9.236
95 H GLU 17 H GLU 17 4.063 0.009 -7.526
96 HA GLU 17 HA GLU 17 6.246 0.645 -9.135
97 HB2 GLU 17 1HB GLU 17 5.759 1.650 -6.328
98 HB3 GLU 17 2HB GLU 17 6.690 2.449 -7.587
99 HG2 GLU 17 1HG GLU 17 3.805 1.824 -8.028
100 HG3 GLU 17 2HG GLU 17 4.277 3.231 -7.076
101 H CYS 18 H CYS 18 6.295 -0.421 -5.730
102 HA CYS 18 HA CYS 18 9.074 -1.305 -6.144
103 HB2 CYS 18 1HB CYS 18 9.420 -1.028 -3.763
104 HB3 CYS 18 2HB CYS 18 8.754 0.461 -4.426
105 H GLY 19 H GLY 19 6.001 -2.170 -4.593
106 HA2 GLY 19 1HA GLY 19 5.290 -4.519 -5.054
107 HA3 GLY 19 2HA GLY 19 6.919 -4.980 -4.583
108 H LYS 20 H LYS 20 5.066 -2.494 -2.951
109 HA LYS 20 HA LYS 20 5.121 -4.138 -0.524
110 HB2 LYS 20 1HB LYS 20 4.988 -1.187 -1.037
111 HB3 LYS 20 2HB LYS 20 4.436 -1.834 0.503
112 HG2 LYS 20 1HG LYS 20 6.696 -2.949 0.696
113 HG3 LYS 20 2HG LYS 20 7.194 -1.961 -0.679
114 HD2 LYS 20 1HD LYS 20 6.759 0.060 0.542
115 HD3 LYS 20 2HD LYS 20 6.043 -0.847 1.877
116 HE2 LYS 20 1HE LYS 20 8.882 -1.288 1.004
117 HE3 LYS 20 2HE LYS 20 8.452 -0.017 2.147
118 HZ1 LYS 20 3HZ LYS 20 8.812 -1.667 3.619
119 HZ2 LYS 20 1HZ LYS 20 8.491 -2.903 2.508
120 HZ3 LYS 20 2HZ LYS 20 7.214 -2.081 3.251
121 H SER 21 H SER 21 3.312 -4.819 0.473
122 HA SER 21 HA SER 21 0.741 -4.037 -0.733
123 HB2 SER 21 1HB SER 21 -0.117 -6.213 0.052
124 HB3 SER 21 2HB SER 21 1.271 -6.415 -1.017
125 HG SER 21 HG SER 21 1.132 -7.599 1.142
126 H TYR 22 H TYR 22 -0.969 -3.452 0.562
127 HA TYR 22 HA TYR 22 -0.429 -3.221 3.446
128 HB2 TYR 22 1HB TYR 22 -1.663 -1.123 1.652
129 HB3 TYR 22 2HB TYR 22 -1.616 -1.029 3.409
130 HD1 TYR 22 HD2 TYR 22 0.598 -1.304 0.427
131 HD2 TYR 22 HD1 TYR 22 0.216 -0.058 4.478
132 HE1 TYR 22 HE2 TYR 22 2.814 -0.244 0.304
133 HE2 TYR 22 HE1 TYR 22 2.431 1.006 4.366
134 HH TYR 22 HH TYR 22 4.423 0.797 1.437
135 H ASN 23 H ASN 23 -2.164 -3.516 4.814
136 HA ASN 23 HA ASN 23 -4.215 -5.218 3.980
137 HB2 ASN 23 1HB ASN 23 -5.187 -4.868 6.199
138 HB3 ASN 23 2HB ASN 23 -3.441 -5.067 6.312
139 HD21 ASN 23 1HD2 ASN 23 -2.168 -3.337 6.913
140 HD22 ASN 23 2HD2 ASN 23 -2.826 -1.890 7.590
141 H GLN 24 H GLN 24 -4.173 -1.719 4.450
142 HA GLN 24 HA GLN 24 -6.909 -1.584 3.376
143 HB2 GLN 24 1HB GLN 24 -5.347 0.222 5.193
144 HB3 GLN 24 2HB GLN 24 -6.707 0.849 4.272
145 HG2 GLN 24 1HG GLN 24 -6.998 -1.580 5.994
146 HG3 GLN 24 2HG GLN 24 -7.108 0.043 6.673
147 HE21 GLN 24 1HE2 GLN 24 -8.804 1.405 6.003
148 HE22 GLN 24 2HE2 GLN 24 -10.247 0.762 5.305
149 H ARG 25 H ARG 25 -7.374 0.293 1.962
150 HA ARG 25 HA ARG 25 -5.382 0.456 -0.112
151 HB2 ARG 25 1HB ARG 25 -7.673 0.224 -0.793
152 HB3 ARG 25 2HB ARG 25 -8.152 1.625 0.156
153 HG2 ARG 25 1HG ARG 25 -8.087 2.539 -1.932
154 HG3 ARG 25 2HG ARG 25 -6.438 2.864 -1.396
155 HD2 ARG 25 1HD ARG 25 -6.018 0.477 -2.466
156 HD3 ARG 25 2HD ARG 25 -7.441 0.922 -3.408
157 HE ARG 25 HE ARG 25 -5.532 3.021 -3.393
158 HH11 ARG 25 1HH1 ARG 25 -6.206 -0.092 -4.797
159 HH12 ARG 25 2HH1 ARG 25 -5.302 0.217 -6.242
160 HH21 ARG 25 1HH2 ARG 25 -4.338 3.441 -5.291
161 HH22 ARG 25 2HH2 ARG 25 -4.239 2.227 -6.521
162 H VAL 26 H VAL 26 -6.945 2.725 2.124
163 HA VAL 26 HA VAL 26 -5.796 5.091 1.248
164 HB VAL 26 HB VAL 26 -7.457 5.364 2.855
165 HG11 VAL 26 1HG1 VAL 26 -7.769 3.397 3.967
166 HG12 VAL 26 2HG1 VAL 26 -6.047 3.169 4.278
167 HG13 VAL 26 3HG1 VAL 26 -6.974 4.321 5.240
168 HG21 VAL 26 3HG2 VAL 26 -5.495 6.859 3.191
169 HG22 VAL 26 1HG2 VAL 26 -6.458 6.611 4.647
170 HG23 VAL 26 2HG2 VAL 26 -4.926 5.760 4.447
171 H HIS 27 H HIS 27 -4.327 2.420 2.820
172 HA HIS 27 HA HIS 27 -2.046 3.930 3.783
173 HB2 HIS 27 1HB HIS 27 -2.978 1.111 3.975
174 HB3 HIS 27 2HB HIS 27 -1.246 1.399 4.106
175 HD1 HIS 27 HD1 HIS 27 -1.448 0.583 6.606
176 HD2 HIS 27 HD2 HIS 27 -3.465 4.107 5.724
177 HE1 HIS 27 HE1 HIS 27 -1.981 1.628 8.831
178 H LEU 28 H LEU 28 -2.986 2.188 0.965
179 HA LEU 28 HA LEU 28 -0.289 1.768 0.014
180 HB2 LEU 28 1HB LEU 28 -2.037 0.170 -0.539
181 HB3 LEU 28 2HB LEU 28 -2.957 1.435 -1.350
182 HG LEU 28 HG LEU 28 -1.281 1.594 -3.086
183 HD11 LEU 28 1HD1 LEU 28 0.385 -0.579 -2.767
184 HD12 LEU 28 2HD1 LEU 28 0.319 0.131 -1.155
185 HD13 LEU 28 3HD1 LEU 28 0.821 1.114 -2.531
186 HD21 LEU 28 3HD2 LEU 28 -1.980 -1.295 -2.576
187 HD22 LEU 28 1HD2 LEU 28 -1.597 -0.556 -4.131
188 HD23 LEU 28 2HD2 LEU 28 -3.072 -0.100 -3.278
189 H THR 29 H THR 29 -3.080 3.699 -1.083
190 HA THR 29 HA THR 29 -1.876 5.085 -3.136
191 HB THR 29 HB THR 29 -4.321 5.173 -2.415
192 HG1 THR 29 HG1 THR 29 -2.757 7.263 -3.410
193 HG21 THR 29 3HG2 THR 29 -3.199 7.316 -0.610
194 HG22 THR 29 1HG2 THR 29 -4.046 5.852 -0.115
195 HG23 THR 29 2HG2 THR 29 -4.910 7.119 -0.984
196 H GLN 30 H GLN 30 -1.789 5.774 0.326
197 HA GLN 30 HA GLN 30 -0.461 8.269 0.109
198 HB2 GLN 30 1HB GLN 30 -0.938 6.315 2.326
199 HB3 GLN 30 2HB GLN 30 0.200 7.634 2.567
200 HG2 GLN 30 1HG GLN 30 -1.790 9.091 1.675
201 HG3 GLN 30 2HG GLN 30 -2.750 7.712 2.208
202 HE21 GLN 30 1HE2 GLN 30 -2.462 10.525 3.191
203 HE22 GLN 30 2HE2 GLN 30 -2.131 10.366 4.879
204 H HIS 31 H HIS 31 0.660 4.946 0.475
205 HA HIS 31 HA HIS 31 3.382 5.541 0.925
206 HB2 HIS 31 1HB HIS 31 2.905 3.358 1.475
207 HB3 HIS 31 2HB HIS 31 1.843 3.127 0.090
208 HD1 HIS 31 HD1 HIS 31 5.548 3.405 0.861
209 HD2 HIS 31 HD2 HIS 31 2.988 1.809 -1.996
210 HE1 HIS 31 HE1 HIS 31 7.014 2.069 -0.685
211 H GLN 32 H GLN 32 1.590 4.762 -2.041
212 HA GLN 32 HA GLN 32 3.593 4.644 -3.886
213 HB2 GLN 32 1HB GLN 32 0.944 6.058 -4.234
214 HB3 GLN 32 2HB GLN 32 1.984 5.502 -5.539
215 HG2 GLN 32 1HG GLN 32 1.568 3.248 -5.061
216 HG3 GLN 32 2HG GLN 32 0.901 3.621 -3.472
217 HE21 GLN 32 1HE2 GLN 32 -0.470 2.007 -5.176
218 HE22 GLN 32 2HE2 GLN 32 -1.881 2.819 -5.756
219 H ARG 33 H ARG 33 2.516 7.430 -2.130
220 HA ARG 33 HA ARG 33 3.258 9.563 -3.651
221 HB2 ARG 33 1HB ARG 33 3.581 9.074 -0.699
222 HB3 ARG 33 2HB ARG 33 4.024 10.610 -1.431
223 HG2 ARG 33 1HG ARG 33 1.763 10.963 -2.177
224 HG3 ARG 33 2HG ARG 33 1.290 9.362 -1.605
225 HD2 ARG 33 1HD ARG 33 1.718 10.007 0.681
226 HD3 ARG 33 2HD ARG 33 2.348 11.568 0.157
227 HE ARG 33 HE ARG 33 -0.410 10.821 0.447
228 HH11 ARG 33 1HH1 ARG 33 1.818 12.947 -1.178
229 HH12 ARG 33 2HH1 ARG 33 0.630 14.171 -1.483
230 HH21 ARG 33 1HH2 ARG 33 -1.982 12.425 0.052
231 HH22 ARG 33 2HH2 ARG 33 -1.531 13.874 -0.782
232 H VAL 34 H VAL 34 5.384 7.363 -1.903
233 HA VAL 34 HA VAL 34 7.788 8.750 -2.133
234 HB VAL 34 HB VAL 34 8.915 6.707 -1.719
235 HG11 VAL 34 1HG1 VAL 34 6.430 5.905 -0.368
236 HG12 VAL 34 2HG1 VAL 34 8.020 6.280 0.302
237 HG13 VAL 34 3HG1 VAL 34 6.910 7.584 -0.124
238 HG21 VAL 34 3HG2 VAL 34 8.100 5.309 -3.458
239 HG22 VAL 34 1HG2 VAL 34 7.710 4.506 -1.937
240 HG23 VAL 34 2HG2 VAL 34 6.454 5.369 -2.826
241 H HIS 35 H HIS 35 6.120 6.682 -4.443
242 HA HIS 35 HA HIS 35 8.289 6.952 -6.371
243 HB2 HIS 35 1HB HIS 35 5.668 5.585 -6.912
244 HB3 HIS 35 2HB HIS 35 7.247 5.262 -7.621
245 HD1 HIS 35 HD1 HIS 35 9.055 4.341 -5.689
246 HD2 HIS 35 HD2 HIS 35 4.992 3.766 -5.040
247 HE1 HIS 35 HE1 HIS 35 8.901 2.494 -3.989
248 H THR 36 H THR 36 5.128 8.219 -5.697
249 HA THR 36 HA THR 36 5.059 9.599 -8.286
250 HB THR 36 HB THR 36 2.733 10.191 -7.714
251 HG1 THR 36 HG1 THR 36 2.935 8.444 -5.493
252 HG21 THR 36 3HG2 THR 36 2.869 8.234 -8.988
253 HG22 THR 36 1HG2 THR 36 1.864 7.768 -7.617
254 HG23 THR 36 2HG2 THR 36 3.565 7.306 -7.660
255 H GLY 37 H GLY 37 6.159 11.463 -8.240
256 HA2 GLY 37 1HA GLY 37 5.784 13.830 -7.563
257 HA3 GLY 37 2HA GLY 37 5.746 13.234 -5.910
258 H GLU 38 H GLU 38 7.801 11.882 -5.358
259 HA GLU 38 HA GLU 38 10.054 13.634 -5.891
260 HB2 GLU 38 1HB GLU 38 9.734 13.025 -3.597
261 HB3 GLU 38 2HB GLU 38 9.662 11.315 -4.000
262 HG2 GLU 38 1HG GLU 38 11.782 11.801 -3.002
263 HG3 GLU 38 2HG GLU 38 12.023 11.415 -4.705
264 H LYS 39 H LYS 39 10.689 13.184 -7.980
265 HA LYS 39 HA LYS 39 12.166 10.698 -8.309
266 HB2 LYS 39 1HB LYS 39 11.180 10.317 -10.565
267 HB3 LYS 39 2HB LYS 39 10.037 10.085 -9.248
268 HG2 LYS 39 1HG LYS 39 9.085 12.287 -9.673
269 HG3 LYS 39 2HG LYS 39 10.243 12.541 -10.980
270 HD2 LYS 39 1HD LYS 39 9.282 10.798 -12.281
271 HD3 LYS 39 2HD LYS 39 8.302 10.238 -10.923
272 HE2 LYS 39 1HE LYS 39 7.965 13.042 -11.868
273 HE3 LYS 39 2HE LYS 39 7.278 11.739 -12.836
274 HZ1 LYS 39 3HZ LYS 39 6.748 12.075 -9.937
275 HZ2 LYS 39 1HZ LYS 39 5.960 11.033 -11.012
276 HZ3 LYS 39 2HZ LYS 39 5.749 12.706 -11.147
277 HA PRO 40 HA PRO 40 15.059 13.391 -10.238
278 HB2 PRO 40 1HB PRO 40 16.438 11.590 -11.731
279 HB3 PRO 40 2HB PRO 40 16.593 11.701 -9.973
280 HG2 PRO 40 1HG PRO 40 14.971 9.794 -11.616
281 HG3 PRO 40 2HG PRO 40 15.969 9.471 -10.186
282 HD2 PRO 40 1HD PRO 40 13.275 9.705 -10.059
283 HD3 PRO 40 2HD PRO 40 14.340 10.201 -8.728
284 H SER 41 H SER 41 12.990 11.330 -12.153
285 HA SER 41 HA SER 41 13.439 13.065 -14.492
286 HB2 SER 41 1HB SER 41 13.829 10.478 -14.579
287 HB3 SER 41 2HB SER 41 12.070 10.400 -14.676
288 HG SER 41 HG SER 41 12.956 10.495 -16.750
289 H GLY 42 H GLY 42 11.982 14.658 -13.670
290 HA2 GLY 42 1HA GLY 42 9.173 13.934 -14.162
291 HA3 GLY 42 2HA GLY 42 9.597 14.780 -12.681
292 HA PRO 43 HA PRO 43 8.723 17.739 -16.285
293 HB2 PRO 43 1HB PRO 43 6.359 18.721 -15.381
294 HB3 PRO 43 2HB PRO 43 6.471 17.316 -16.448
295 HG2 PRO 43 1HG PRO 43 6.104 17.415 -13.479
296 HG3 PRO 43 2HG PRO 43 5.294 16.385 -14.672
297 HD2 PRO 43 1HD PRO 43 7.344 15.503 -13.139
298 HD3 PRO 43 2HD PRO 43 7.064 14.913 -14.790
299 H SER 44 H SER 44 8.616 17.840 -12.809
300 HA SER 44 HA SER 44 8.367 20.388 -12.052
301 HB2 SER 44 1HB SER 44 9.191 18.398 -10.664
302 HB3 SER 44 2HB SER 44 10.814 18.856 -11.180
303 HG SER 44 HG SER 44 10.610 20.025 -9.400
304 H SER 45 H SER 45 11.434 19.108 -13.345
305 HA SER 45 HA SER 45 12.849 21.500 -13.383
306 HB2 SER 45 1HB SER 45 14.235 20.413 -15.170
307 HB3 SER 45 2HB SER 45 13.989 19.405 -13.744
308 HG SER 45 HG SER 45 12.780 19.194 -16.287
309 H GLY 46 H GLY 46 12.159 23.338 -14.272
310 HA2 GLY 46 1HA GLY 46 12.006 23.759 -17.011
311 HA3 GLY 46 2HA GLY 46 10.361 23.465 -16.467
Start of MODEL 10
1 H1 GLY 1 H GLY 1 16.063 -25.065 3.055
2 HA2 GLY 1 1HA GLY 1 17.847 -24.295 5.277
3 HA3 GLY 1 2HA GLY 1 17.580 -23.332 3.831
4 H SER 2 H SER 2 16.047 -24.523 6.781
5 HA SER 2 HA SER 2 14.156 -23.818 7.886
6 HB2 SER 2 1HB SER 2 14.337 -21.492 8.628
7 HB3 SER 2 2HB SER 2 15.922 -22.265 8.644
8 HG SER 2 HG SER 2 15.045 -20.805 6.398
9 H SER 3 H SER 3 13.528 -24.280 5.227
10 HA SER 3 HA SER 3 11.895 -21.995 4.393
11 HB2 SER 3 1HB SER 3 11.655 -23.151 2.262
12 HB3 SER 3 2HB SER 3 13.361 -23.078 2.705
13 HG SER 3 HG SER 3 13.180 -25.233 3.445
14 H GLY 4 H GLY 4 9.774 -21.939 4.742
15 HA2 GLY 4 1HA GLY 4 8.059 -24.178 4.582
16 HA3 GLY 4 2HA GLY 4 8.417 -23.844 6.269
17 H SER 5 H SER 5 6.330 -23.240 6.798
18 HA SER 5 HA SER 5 4.993 -21.154 5.310
19 HB2 SER 5 1HB SER 5 3.612 -22.902 6.235
20 HB3 SER 5 2HB SER 5 4.261 -22.624 7.851
21 HG SER 5 HG SER 5 2.943 -20.573 6.431
22 H SER 6 H SER 6 4.971 -19.040 5.760
23 HA SER 6 HA SER 6 6.454 -18.139 8.130
24 HB2 SER 6 1HB SER 6 5.779 -16.668 5.570
25 HB3 SER 6 2HB SER 6 6.686 -15.987 6.921
26 HG SER 6 HG SER 6 7.989 -18.102 6.469
27 H GLY 7 H GLY 7 3.693 -17.021 6.156
28 HA2 GLY 7 1HA GLY 7 1.993 -16.788 8.451
29 HA3 GLY 7 2HA GLY 7 2.586 -15.225 7.909
30 H THR 8 H THR 8 -0.076 -16.879 7.848
31 HA THR 8 HA THR 8 -0.677 -16.556 4.995
32 HB THR 8 HB THR 8 -2.393 -17.851 7.121
33 HG1 THR 8 HG1 THR 8 -0.179 -18.788 6.336
34 HG21 THR 8 3HG2 THR 8 -3.934 -18.187 5.532
35 HG22 THR 8 1HG2 THR 8 -2.724 -18.693 4.354
36 HG23 THR 8 2HG2 THR 8 -3.067 -16.978 4.586
37 H GLY 9 H GLY 9 -0.820 -14.268 5.003
38 HA2 GLY 9 1HA GLY 9 -3.445 -13.310 5.752
39 HA3 GLY 9 2HA GLY 9 -2.126 -12.562 6.640
40 H GLU 10 H GLU 10 -2.683 -13.482 3.238
41 HA GLU 10 HA GLU 10 -1.152 -11.533 2.050
42 HB2 GLU 10 1HB GLU 10 -3.608 -13.004 1.180
43 HB3 GLU 10 2HB GLU 10 -2.978 -11.712 0.168
44 HG2 GLU 10 1HG GLU 10 -0.790 -12.877 0.135
45 HG3 GLU 10 2HG GLU 10 -1.532 -14.209 1.020
46 H LYS 11 H LYS 11 -2.204 -9.755 0.568
47 HA LYS 11 HA LYS 11 -4.034 -8.154 2.233
48 HB2 LYS 11 1HB LYS 11 -1.489 -7.385 0.856
49 HB3 LYS 11 2HB LYS 11 -2.757 -6.182 1.057
50 HG2 LYS 11 1HG LYS 11 -1.563 -5.799 2.951
51 HG3 LYS 11 2HG LYS 11 -2.678 -7.027 3.556
52 HD2 LYS 11 1HD LYS 11 -1.057 -8.684 3.550
53 HD3 LYS 11 2HD LYS 11 -0.054 -7.839 2.370
54 HE2 LYS 11 1HE LYS 11 0.364 -6.093 4.122
55 HE3 LYS 11 2HE LYS 11 -0.455 -7.145 5.275
56 HZ1 LYS 11 3HZ LYS 11 2.072 -7.665 3.820
57 HZ2 LYS 11 1HZ LYS 11 1.216 -8.885 4.620
58 HZ3 LYS 11 2HZ LYS 11 1.833 -7.574 5.492
59 HA PRO 12 HA PRO 12 -6.620 -7.874 -1.315
60 HB2 PRO 12 1HB PRO 12 -7.938 -5.574 -0.729
61 HB3 PRO 12 2HB PRO 12 -8.246 -7.098 0.111
62 HG2 PRO 12 1HG PRO 12 -6.570 -4.769 0.965
63 HG3 PRO 12 2HG PRO 12 -7.707 -5.740 1.920
64 HD2 PRO 12 1HD PRO 12 -5.027 -6.113 2.025
65 HD3 PRO 12 2HD PRO 12 -6.185 -7.442 2.234
66 H PHE 13 H PHE 13 -4.314 -5.436 -0.516
67 HA PHE 13 HA PHE 13 -4.477 -4.393 -3.266
68 HB2 PHE 13 1HB PHE 13 -3.446 -2.772 -0.949
69 HB3 PHE 13 2HB PHE 13 -3.969 -2.210 -2.534
70 HD1 PHE 13 HD1 PHE 13 -6.499 -2.754 -3.090
71 HD2 PHE 13 HD2 PHE 13 -4.861 -2.471 0.828
72 HE1 PHE 13 HE1 PHE 13 -8.743 -2.299 -2.189
73 HE2 PHE 13 HE2 PHE 13 -7.102 -2.016 1.736
74 HZ PHE 13 HZ PHE 13 -9.047 -1.930 0.227
75 H LYS 14 H LYS 14 -2.400 -3.487 -4.065
76 HA LYS 14 HA LYS 14 0.033 -4.345 -2.793
77 HB2 LYS 14 1HB LYS 14 -0.843 -6.423 -3.912
78 HB3 LYS 14 2HB LYS 14 -0.676 -5.591 -5.452
79 HG2 LYS 14 1HG LYS 14 1.769 -5.265 -4.829
80 HG3 LYS 14 2HG LYS 14 1.481 -6.451 -3.554
81 HD2 LYS 14 1HD LYS 14 0.542 -7.939 -5.422
82 HD3 LYS 14 2HD LYS 14 1.332 -6.816 -6.531
83 HE2 LYS 14 1HE LYS 14 2.797 -8.683 -6.108
84 HE3 LYS 14 2HE LYS 14 3.472 -7.233 -5.367
85 HZ1 LYS 14 3HZ LYS 14 3.333 -8.128 -3.348
86 HZ2 LYS 14 1HZ LYS 14 3.091 -9.613 -4.123
87 HZ3 LYS 14 2HZ LYS 14 1.763 -8.707 -3.597
88 H CYS 15 H CYS 15 1.515 -2.854 -3.218
89 HA CYS 15 HA CYS 15 1.061 -0.774 -5.093
90 HB2 CYS 15 1HB CYS 15 2.309 -0.149 -3.206
91 HB3 CYS 15 2HB CYS 15 3.380 -1.540 -3.340
92 H GLY 16 H GLY 16 1.275 -0.935 -7.221
93 HA2 GLY 16 1HA GLY 16 3.002 -2.984 -8.364
94 HA3 GLY 16 2HA GLY 16 1.850 -1.985 -9.237
95 H GLU 17 H GLU 17 4.354 -0.829 -7.041
96 HA GLU 17 HA GLU 17 5.727 0.374 -9.354
97 HB2 GLU 17 1HB GLU 17 5.300 1.616 -6.631
98 HB3 GLU 17 2HB GLU 17 6.236 2.327 -7.938
99 HG2 GLU 17 1HG GLU 17 4.012 3.314 -7.761
100 HG3 GLU 17 2HG GLU 17 4.252 2.505 -9.308
101 H CYS 18 H CYS 18 6.033 -0.824 -6.044
102 HA CYS 18 HA CYS 18 8.866 -1.401 -6.601
103 HB2 CYS 18 1HB CYS 18 9.455 -0.859 -4.324
104 HB3 CYS 18 2HB CYS 18 8.610 0.516 -5.027
105 H GLY 19 H GLY 19 5.978 -2.262 -4.745
106 HA2 GLY 19 1HA GLY 19 5.418 -4.698 -4.931
107 HA3 GLY 19 2HA GLY 19 7.086 -4.987 -4.461
108 H LYS 20 H LYS 20 5.138 -2.442 -3.062
109 HA LYS 20 HA LYS 20 5.246 -3.868 -0.492
110 HB2 LYS 20 1HB LYS 20 5.249 -0.957 -1.222
111 HB3 LYS 20 2HB LYS 20 4.730 -1.467 0.380
112 HG2 LYS 20 1HG LYS 20 7.021 -2.792 0.294
113 HG3 LYS 20 2HG LYS 20 7.427 -1.510 -0.849
114 HD2 LYS 20 1HD LYS 20 8.090 -0.547 1.128
115 HD3 LYS 20 2HD LYS 20 6.428 0.039 1.021
116 HE2 LYS 20 1HE LYS 20 6.549 -0.718 3.204
117 HE3 LYS 20 2HE LYS 20 5.852 -2.102 2.363
118 HZ1 LYS 20 3HZ LYS 20 8.757 -1.828 2.883
119 HZ2 LYS 20 1HZ LYS 20 7.922 -3.208 2.373
120 HZ3 LYS 20 2HZ LYS 20 7.703 -2.619 3.943
121 H SER 21 H SER 21 3.402 -4.906 -0.096
122 HA SER 21 HA SER 21 0.870 -3.827 -1.045
123 HB2 SER 21 1HB SER 21 -0.068 -5.980 -0.203
124 HB3 SER 21 2HB SER 21 1.231 -6.203 -1.375
125 HG SER 21 HG SER 21 1.391 -6.443 1.446
126 H TYR 22 H TYR 22 -0.966 -3.589 0.367
127 HA TYR 22 HA TYR 22 -0.312 -3.191 3.200
128 HB2 TYR 22 1HB TYR 22 -1.654 -1.182 1.386
129 HB3 TYR 22 2HB TYR 22 -1.671 -1.072 3.142
130 HD1 TYR 22 HD2 TYR 22 0.683 -1.299 0.260
131 HD2 TYR 22 HD1 TYR 22 0.039 0.059 4.240
132 HE1 TYR 22 HE2 TYR 22 2.840 -0.119 0.200
133 HE2 TYR 22 HE1 TYR 22 2.194 1.244 4.191
134 HH TYR 22 HH TYR 22 4.569 0.658 2.197
135 H ASN 23 H ASN 23 -2.184 -3.132 4.604
136 HA ASN 23 HA ASN 23 -4.166 -5.048 3.799
137 HB2 ASN 23 1HB ASN 23 -3.563 -3.566 6.340
138 HB3 ASN 23 2HB ASN 23 -5.079 -4.446 6.167
139 HD21 ASN 23 1HD2 ASN 23 -4.705 -6.729 5.201
140 HD22 ASN 23 2HD2 ASN 23 -3.451 -7.642 5.962
141 H GLN 24 H GLN 24 -4.049 -1.580 4.339
142 HA GLN 24 HA GLN 24 -6.898 -1.382 3.644
143 HB2 GLN 24 1HB GLN 24 -5.023 0.518 5.044
144 HB3 GLN 24 2HB GLN 24 -6.601 1.018 4.450
145 HG2 GLN 24 1HG GLN 24 -6.235 -1.277 6.350
146 HG3 GLN 24 2HG GLN 24 -6.458 0.387 6.887
147 HE21 GLN 24 1HE2 GLN 24 -8.456 0.865 7.407
148 HE22 GLN 24 2HE2 GLN 24 -9.886 0.177 6.724
149 H ARG 25 H ARG 25 -7.542 0.383 2.205
150 HA ARG 25 HA ARG 25 -5.840 0.459 -0.118
151 HB2 ARG 25 1HB ARG 25 -8.359 0.217 -0.167
152 HB3 ARG 25 2HB ARG 25 -8.452 1.914 0.287
153 HG2 ARG 25 1HG ARG 25 -7.198 2.498 -1.755
154 HG3 ARG 25 2HG ARG 25 -7.213 0.795 -2.218
155 HD2 ARG 25 1HD ARG 25 -9.730 2.336 -1.645
156 HD3 ARG 25 2HD ARG 25 -8.997 2.288 -3.248
157 HE ARG 25 HE ARG 25 -10.457 0.182 -1.943
158 HH11 ARG 25 1HH1 ARG 25 -8.091 0.952 -4.378
159 HH12 ARG 25 2HH1 ARG 25 -8.371 -0.493 -5.292
160 HH21 ARG 25 1HH2 ARG 25 -10.835 -1.724 -3.138
161 HH22 ARG 25 2HH2 ARG 25 -9.932 -2.014 -4.587
162 H VAL 26 H VAL 26 -7.062 2.787 2.252
163 HA VAL 26 HA VAL 26 -5.892 5.072 1.040
164 HB VAL 26 HB VAL 26 -7.713 5.396 2.565
165 HG11 VAL 26 1HG1 VAL 26 -7.967 4.286 4.478
166 HG12 VAL 26 2HG1 VAL 26 -6.517 3.375 4.051
167 HG13 VAL 26 3HG1 VAL 26 -6.391 4.810 5.070
168 HG21 VAL 26 3HG2 VAL 26 -5.599 6.490 4.297
169 HG22 VAL 26 1HG2 VAL 26 -5.456 6.885 2.584
170 HG23 VAL 26 2HG2 VAL 26 -6.924 7.306 3.466
171 H HIS 27 H HIS 27 -4.576 2.496 2.809
172 HA HIS 27 HA HIS 27 -2.333 4.001 3.870
173 HB2 HIS 27 1HB HIS 27 -3.169 1.116 3.977
174 HB3 HIS 27 2HB HIS 27 -1.549 1.603 4.467
175 HD1 HIS 27 HD1 HIS 27 -2.136 0.827 6.900
176 HD2 HIS 27 HD2 HIS 27 -4.413 3.999 5.480
177 HE1 HIS 27 HE1 HIS 27 -3.266 1.803 8.924
178 H LEU 28 H LEU 28 -3.151 2.329 1.006
179 HA LEU 28 HA LEU 28 -0.412 1.769 0.242
180 HB2 LEU 28 1HB LEU 28 -1.891 0.152 -0.538
181 HB3 LEU 28 2HB LEU 28 -3.092 1.349 -1.021
182 HG LEU 28 HG LEU 28 -1.609 2.018 -2.890
183 HD11 LEU 28 1HD1 LEU 28 0.369 0.773 -1.497
184 HD12 LEU 28 2HD1 LEU 28 0.454 1.208 -3.204
185 HD13 LEU 28 3HD1 LEU 28 -0.008 -0.428 -2.733
186 HD21 LEU 28 3HD2 LEU 28 -1.759 -0.682 -3.685
187 HD22 LEU 28 1HD2 LEU 28 -2.901 0.618 -4.026
188 HD23 LEU 28 2HD2 LEU 28 -3.116 -0.392 -2.596
189 H THR 29 H THR 29 -3.047 3.623 -1.293
190 HA THR 29 HA THR 29 -1.725 4.979 -3.209
191 HB THR 29 HB THR 29 -4.165 5.240 -2.586
192 HG1 THR 29 HG1 THR 29 -4.218 7.360 -3.468
193 HG21 THR 29 3HG2 THR 29 -4.765 7.071 -1.097
194 HG22 THR 29 1HG2 THR 29 -3.063 7.377 -0.757
195 HG23 THR 29 2HG2 THR 29 -3.810 5.869 -0.230
196 H GLN 30 H GLN 30 -1.753 5.843 0.230
197 HA GLN 30 HA GLN 30 -0.281 8.220 0.024
198 HB2 GLN 30 1HB GLN 30 -0.896 6.291 2.206
199 HB3 GLN 30 2HB GLN 30 0.412 7.436 2.477
200 HG2 GLN 30 1HG GLN 30 -1.383 9.168 1.641
201 HG3 GLN 30 2HG GLN 30 -2.503 7.917 2.176
202 HE21 GLN 30 1HE2 GLN 30 -3.239 8.311 4.125
203 HE22 GLN 30 2HE2 GLN 30 -2.345 8.984 5.441
204 H HIS 31 H HIS 31 0.764 4.870 0.489
205 HA HIS 31 HA HIS 31 3.500 5.394 0.854
206 HB2 HIS 31 1HB HIS 31 2.924 3.232 1.445
207 HB3 HIS 31 2HB HIS 31 1.905 3.004 0.027
208 HD1 HIS 31 HD1 HIS 31 5.612 3.365 0.809
209 HD2 HIS 31 HD2 HIS 31 3.068 1.490 -1.888
210 HE1 HIS 31 HE1 HIS 31 7.097 1.944 -0.640
211 H GLN 32 H GLN 32 1.679 4.548 -2.082
212 HA GLN 32 HA GLN 32 3.738 4.457 -3.906
213 HB2 GLN 32 1HB GLN 32 0.996 5.636 -4.386
214 HB3 GLN 32 2HB GLN 32 2.091 5.019 -5.616
215 HG2 GLN 32 1HG GLN 32 1.862 2.787 -4.796
216 HG3 GLN 32 2HG GLN 32 0.942 3.344 -3.399
217 HE21 GLN 32 1HE2 GLN 32 0.147 1.396 -5.343
218 HE22 GLN 32 2HE2 GLN 32 -1.283 1.994 -6.106
219 H ARG 33 H ARG 33 2.625 7.150 -2.138
220 HA ARG 33 HA ARG 33 3.170 9.277 -3.855
221 HB2 ARG 33 1HB ARG 33 3.506 9.140 -0.853
222 HB3 ARG 33 2HB ARG 33 3.466 10.621 -1.800
223 HG2 ARG 33 1HG ARG 33 1.181 8.736 -2.029
224 HG3 ARG 33 2HG ARG 33 1.328 9.720 -0.572
225 HD2 ARG 33 1HD ARG 33 0.077 11.119 -1.881
226 HD3 ARG 33 2HD ARG 33 1.701 11.653 -2.315
227 HE ARG 33 HE ARG 33 1.139 9.711 -4.134
228 HH11 ARG 33 1HH1 ARG 33 -0.456 12.634 -3.120
229 HH12 ARG 33 2HH1 ARG 33 -1.182 12.929 -4.665
230 HH21 ARG 33 1HH2 ARG 33 0.189 10.088 -6.173
231 HH22 ARG 33 2HH2 ARG 33 -0.815 11.480 -6.401
232 H VAL 34 H VAL 34 5.315 7.536 -1.633
233 HA VAL 34 HA VAL 34 7.599 9.046 -1.797
234 HB VAL 34 HB VAL 34 8.868 7.099 -1.247
235 HG11 VAL 34 1HG1 VAL 34 6.443 7.769 0.062
236 HG12 VAL 34 2HG1 VAL 34 6.654 6.020 0.166
237 HG13 VAL 34 3HG1 VAL 34 7.918 7.098 0.758
238 HG21 VAL 34 3HG2 VAL 34 7.661 4.823 -1.357
239 HG22 VAL 34 1HG2 VAL 34 6.597 5.616 -2.519
240 HG23 VAL 34 2HG2 VAL 34 8.326 5.495 -2.846
241 H HIS 35 H HIS 35 6.339 6.754 -4.156
242 HA HIS 35 HA HIS 35 8.629 6.778 -5.845
243 HB2 HIS 35 1HB HIS 35 5.782 6.124 -6.621
244 HB3 HIS 35 2HB HIS 35 7.251 5.613 -7.446
245 HD1 HIS 35 HD1 HIS 35 8.874 4.532 -5.098
246 HD2 HIS 35 HD2 HIS 35 4.824 3.783 -5.638
247 HE1 HIS 35 HE1 HIS 35 8.407 2.415 -3.825
248 H THR 36 H THR 36 5.872 8.845 -5.472
249 HA THR 36 HA THR 36 6.194 10.148 -8.028
250 HB THR 36 HB THR 36 4.344 11.482 -7.471
251 HG1 THR 36 HG1 THR 36 3.669 11.804 -5.325
252 HG21 THR 36 3HG2 THR 36 3.568 9.265 -7.783
253 HG22 THR 36 1HG2 THR 36 2.718 9.880 -6.367
254 HG23 THR 36 2HG2 THR 36 4.081 8.779 -6.168
255 H GLY 37 H GLY 37 6.672 11.074 -4.617
256 HA2 GLY 37 1HA GLY 37 7.518 13.619 -4.746
257 HA3 GLY 37 2HA GLY 37 8.321 12.439 -3.720
258 H GLU 38 H GLU 38 10.245 11.458 -4.432
259 HA GLU 38 HA GLU 38 11.897 13.146 -6.015
260 HB2 GLU 38 1HB GLU 38 12.504 11.510 -4.059
261 HB3 GLU 38 2HB GLU 38 12.650 10.325 -5.349
262 HG2 GLU 38 1HG GLU 38 14.492 11.325 -6.255
263 HG3 GLU 38 2HG GLU 38 14.063 12.922 -5.645
264 H LYS 39 H LYS 39 11.955 13.238 -8.150
265 HA LYS 39 HA LYS 39 10.591 11.901 -10.008
266 HB2 LYS 39 1HB LYS 39 12.563 12.247 -11.582
267 HB3 LYS 39 2HB LYS 39 11.962 13.674 -10.748
268 HG2 LYS 39 1HG LYS 39 13.781 13.532 -9.146
269 HG3 LYS 39 2HG LYS 39 14.370 12.062 -9.927
270 HD2 LYS 39 1HD LYS 39 15.726 13.714 -10.839
271 HD3 LYS 39 2HD LYS 39 14.469 13.519 -12.063
272 HE2 LYS 39 1HE LYS 39 13.277 15.417 -10.725
273 HE3 LYS 39 2HE LYS 39 14.898 15.744 -10.114
274 HZ1 LYS 39 3HZ LYS 39 15.623 15.859 -12.485
275 HZ2 LYS 39 1HZ LYS 39 14.567 17.094 -12.013
276 HZ3 LYS 39 2HZ LYS 39 13.994 15.799 -12.937
277 HA PRO 40 HA PRO 40 11.750 7.654 -10.010
278 HB2 PRO 40 1HB PRO 40 10.985 6.998 -12.531
279 HB3 PRO 40 2HB PRO 40 9.833 7.286 -11.221
280 HG2 PRO 40 1HG PRO 40 10.708 9.127 -13.414
281 HG3 PRO 40 2HG PRO 40 9.079 8.843 -12.775
282 HD2 PRO 40 1HD PRO 40 10.565 10.994 -12.070
283 HD3 PRO 40 2HD PRO 40 9.412 10.224 -10.961
284 H SER 41 H SER 41 13.078 9.951 -12.214
285 HA SER 41 HA SER 41 15.318 8.116 -12.754
286 HB2 SER 41 1HB SER 41 15.583 9.306 -14.957
287 HB3 SER 41 2HB SER 41 14.116 8.336 -14.826
288 HG SER 41 HG SER 41 14.320 11.147 -14.480
289 H GLY 42 H GLY 42 17.391 9.040 -12.843
290 HA2 GLY 42 1HA GLY 42 17.566 11.837 -11.920
291 HA3 GLY 42 2HA GLY 42 18.480 10.567 -11.121
292 HA PRO 43 HA PRO 43 20.317 11.287 -15.571
293 HB2 PRO 43 1HB PRO 43 19.811 13.749 -16.596
294 HB3 PRO 43 2HB PRO 43 18.784 12.347 -16.915
295 HG2 PRO 43 1HG PRO 43 18.398 14.568 -14.946
296 HG3 PRO 43 2HG PRO 43 17.210 13.805 -16.020
297 HD2 PRO 43 1HD PRO 43 17.409 13.182 -13.392
298 HD3 PRO 43 2HD PRO 43 16.917 11.998 -14.620
299 H SER 44 H SER 44 22.278 12.383 -16.103
300 HA SER 44 HA SER 44 23.555 13.574 -13.825
301 HB2 SER 44 1HB SER 44 24.679 11.985 -15.430
302 HB3 SER 44 2HB SER 44 24.674 13.287 -16.620
303 HG SER 44 HG SER 44 26.622 13.016 -15.247
304 H SER 45 H SER 45 23.177 14.682 -17.197
305 HA SER 45 HA SER 45 24.049 17.264 -16.914
306 HB2 SER 45 1HB SER 45 23.294 16.078 -19.042
307 HB3 SER 45 2HB SER 45 21.653 16.556 -18.609
308 HG SER 45 HG SER 45 22.080 18.526 -19.212
309 H GLY 46 H GLY 46 20.603 16.325 -16.816
310 HA2 GLY 46 1HA GLY 46 20.115 18.717 -15.157
311 HA3 GLY 46 2HA GLY 46 18.922 17.969 -16.208
Start of MODEL 11
1 H1 GLY 1 H GLY 1 20.984 -29.151 2.189
2 HA2 GLY 1 1HA GLY 1 21.739 -27.210 3.772
3 HA3 GLY 1 2HA GLY 1 22.829 -26.885 2.432
4 H SER 2 H SER 2 19.442 -27.939 2.376
5 HA SER 2 HA SER 2 18.829 -25.538 0.788
6 HB2 SER 2 1HB SER 2 17.122 -26.773 -0.318
7 HB3 SER 2 2HB SER 2 18.521 -27.844 -0.253
8 HG SER 2 HG SER 2 17.339 -28.444 1.896
9 H SER 3 H SER 3 17.732 -24.014 1.810
10 HA SER 3 HA SER 3 15.817 -24.817 3.902
11 HB2 SER 3 1HB SER 3 17.800 -22.557 3.853
12 HB3 SER 3 2HB SER 3 16.345 -22.454 4.844
13 HG SER 3 HG SER 3 17.195 -23.813 6.201
14 H GLY 4 H GLY 4 13.940 -23.495 4.142
15 HA2 GLY 4 1HA GLY 4 13.400 -21.599 1.971
16 HA3 GLY 4 2HA GLY 4 12.338 -22.990 2.135
17 H SER 5 H SER 5 11.175 -20.590 2.259
18 HA SER 5 HA SER 5 10.214 -20.514 4.994
19 HB2 SER 5 1HB SER 5 10.464 -18.025 5.128
20 HB3 SER 5 2HB SER 5 12.000 -18.892 5.141
21 HG SER 5 HG SER 5 12.063 -17.125 3.709
22 H SER 6 H SER 6 8.090 -20.021 5.110
23 HA SER 6 HA SER 6 6.728 -19.467 2.579
24 HB2 SER 6 1HB SER 6 6.152 -21.406 4.259
25 HB3 SER 6 2HB SER 6 5.277 -20.136 5.115
26 HG SER 6 HG SER 6 3.765 -20.335 3.686
27 H GLY 7 H GLY 7 4.704 -18.092 2.764
28 HA2 GLY 7 1HA GLY 7 5.140 -15.845 4.627
29 HA3 GLY 7 2HA GLY 7 4.859 -15.558 2.916
30 H THR 8 H THR 8 3.433 -16.391 5.960
31 HA THR 8 HA THR 8 0.799 -16.831 4.831
32 HB THR 8 HB THR 8 1.567 -16.566 7.743
33 HG1 THR 8 HG1 THR 8 2.516 -18.426 7.373
34 HG21 THR 8 3HG2 THR 8 -0.817 -16.280 7.333
35 HG22 THR 8 1HG2 THR 8 -0.514 -17.826 8.125
36 HG23 THR 8 2HG2 THR 8 -0.852 -17.773 6.395
37 H GLY 9 H GLY 9 0.071 -14.951 3.920
38 HA2 GLY 9 1HA GLY 9 -1.314 -13.095 5.338
39 HA3 GLY 9 2HA GLY 9 0.309 -12.422 5.286
40 H GLU 10 H GLU 10 -2.621 -12.874 3.600
41 HA GLU 10 HA GLU 10 -1.425 -11.815 1.127
42 HB2 GLU 10 1HB GLU 10 -3.923 -13.426 1.618
43 HB3 GLU 10 2HB GLU 10 -3.655 -12.560 0.112
44 HG2 GLU 10 1HG GLU 10 -1.793 -14.643 1.228
45 HG3 GLU 10 2HG GLU 10 -3.043 -14.958 0.026
46 H LYS 11 H LYS 11 -1.841 -9.783 0.582
47 HA LYS 11 HA LYS 11 -3.960 -8.353 2.028
48 HB2 LYS 11 1HB LYS 11 -1.381 -7.507 0.762
49 HB3 LYS 11 2HB LYS 11 -2.671 -6.329 0.971
50 HG2 LYS 11 1HG LYS 11 -1.497 -6.014 2.901
51 HG3 LYS 11 2HG LYS 11 -2.666 -7.225 3.435
52 HD2 LYS 11 1HD LYS 11 -1.021 -8.986 3.093
53 HD3 LYS 11 2HD LYS 11 0.144 -7.803 2.494
54 HE2 LYS 11 1HE LYS 11 0.350 -6.789 4.614
55 HE3 LYS 11 2HE LYS 11 -1.082 -7.610 5.232
56 HZ1 LYS 11 3HZ LYS 11 0.579 -8.864 6.142
57 HZ2 LYS 11 1HZ LYS 11 1.630 -8.655 4.833
58 HZ3 LYS 11 2HZ LYS 11 0.324 -9.722 4.707
59 HA PRO 12 HA PRO 12 -6.413 -8.028 -1.613
60 HB2 PRO 12 1HB PRO 12 -7.839 -5.806 -0.979
61 HB3 PRO 12 2HB PRO 12 -8.123 -7.379 -0.223
62 HG2 PRO 12 1HG PRO 12 -6.572 -5.035 0.807
63 HG3 PRO 12 2HG PRO 12 -7.709 -6.089 1.667
64 HD2 PRO 12 1HD PRO 12 -5.023 -6.371 1.868
65 HD3 PRO 12 2HD PRO 12 -6.138 -7.749 1.967
66 H PHE 13 H PHE 13 -4.304 -5.480 -0.573
67 HA PHE 13 HA PHE 13 -4.347 -4.360 -3.298
68 HB2 PHE 13 1HB PHE 13 -3.535 -2.747 -0.897
69 HB3 PHE 13 2HB PHE 13 -4.063 -2.182 -2.478
70 HD1 PHE 13 HD1 PHE 13 -6.538 -3.612 -2.919
71 HD2 PHE 13 HD2 PHE 13 -5.002 -1.895 0.659
72 HE1 PHE 13 HE1 PHE 13 -8.831 -3.356 -2.063
73 HE2 PHE 13 HE2 PHE 13 -7.292 -1.636 1.522
74 HZ PHE 13 HZ PHE 13 -9.210 -2.368 0.161
75 H LYS 14 H LYS 14 -2.344 -3.624 -4.144
76 HA LYS 14 HA LYS 14 0.096 -4.149 -2.690
77 HB2 LYS 14 1HB LYS 14 -0.581 -6.378 -3.616
78 HB3 LYS 14 2HB LYS 14 -0.453 -5.692 -5.230
79 HG2 LYS 14 1HG LYS 14 1.909 -5.282 -4.904
80 HG3 LYS 14 2HG LYS 14 1.804 -5.871 -3.243
81 HD2 LYS 14 1HD LYS 14 1.407 -8.081 -3.940
82 HD3 LYS 14 2HD LYS 14 1.015 -7.580 -5.586
83 HE2 LYS 14 1HE LYS 14 3.310 -6.984 -6.002
84 HE3 LYS 14 2HE LYS 14 3.736 -7.293 -4.319
85 HZ1 LYS 14 3HZ LYS 14 3.203 -9.624 -4.645
86 HZ2 LYS 14 1HZ LYS 14 4.380 -9.128 -5.754
87 HZ3 LYS 14 2HZ LYS 14 2.778 -9.331 -6.256
88 H CYS 15 H CYS 15 1.835 -3.034 -3.498
89 HA CYS 15 HA CYS 15 1.229 -0.992 -5.450
90 HB2 CYS 15 1HB CYS 15 2.495 -0.431 -3.420
91 HB3 CYS 15 2HB CYS 15 3.773 -1.541 -3.906
92 H GLY 16 H GLY 16 1.629 -1.134 -7.554
93 HA2 GLY 16 1HA GLY 16 3.245 -3.358 -8.541
94 HA3 GLY 16 2HA GLY 16 2.178 -2.343 -9.499
95 H GLU 17 H GLU 17 4.584 -1.089 -7.276
96 HA GLU 17 HA GLU 17 6.188 -0.208 -9.584
97 HB2 GLU 17 1HB GLU 17 5.645 1.408 -7.088
98 HB3 GLU 17 2HB GLU 17 6.584 1.921 -8.483
99 HG2 GLU 17 1HG GLU 17 3.747 1.109 -8.871
100 HG3 GLU 17 2HG GLU 17 4.105 2.687 -8.171
101 H CYS 18 H CYS 18 6.171 -0.847 -6.097
102 HA CYS 18 HA CYS 18 9.054 -1.439 -6.271
103 HB2 CYS 18 1HB CYS 18 9.274 -0.816 -3.956
104 HB3 CYS 18 2HB CYS 18 8.442 0.488 -4.798
105 H GLY 19 H GLY 19 5.999 -2.401 -4.738
106 HA2 GLY 19 1HA GLY 19 5.506 -4.833 -4.914
107 HA3 GLY 19 2HA GLY 19 7.157 -5.096 -4.374
108 H LYS 20 H LYS 20 5.101 -2.595 -3.049
109 HA LYS 20 HA LYS 20 5.216 -3.963 -0.458
110 HB2 LYS 20 1HB LYS 20 5.052 -1.120 -1.319
111 HB3 LYS 20 2HB LYS 20 4.279 -1.549 0.201
112 HG2 LYS 20 1HG LYS 20 6.615 -2.722 0.630
113 HG3 LYS 20 2HG LYS 20 7.152 -1.497 -0.522
114 HD2 LYS 20 1HD LYS 20 6.567 0.257 0.876
115 HD3 LYS 20 2HD LYS 20 5.417 -0.722 1.789
116 HE2 LYS 20 1HE LYS 20 7.188 -1.897 2.887
117 HE3 LYS 20 2HE LYS 20 8.398 -1.157 1.841
118 HZ1 LYS 20 3HZ LYS 20 8.595 0.199 3.623
119 HZ2 LYS 20 1HZ LYS 20 7.005 -0.044 4.148
120 HZ3 LYS 20 2HZ LYS 20 7.320 1.016 2.868
121 H SER 21 H SER 21 3.456 -4.821 0.437
122 HA SER 21 HA SER 21 0.850 -4.221 -0.791
123 HB2 SER 21 1HB SER 21 0.119 -6.415 -0.044
124 HB3 SER 21 2HB SER 21 1.625 -6.582 -0.946
125 HG SER 21 HG SER 21 1.477 -6.421 1.882
126 H TYR 22 H TYR 22 -0.835 -3.537 0.431
127 HA TYR 22 HA TYR 22 -0.359 -3.226 3.323
128 HB2 TYR 22 1HB TYR 22 -1.676 -1.287 1.415
129 HB3 TYR 22 2HB TYR 22 -1.721 -1.124 3.167
130 HD1 TYR 22 HD2 TYR 22 0.461 -1.030 0.199
131 HD2 TYR 22 HD1 TYR 22 0.176 -0.322 4.385
132 HE1 TYR 22 HE2 TYR 22 2.605 0.173 0.136
133 HE2 TYR 22 HE1 TYR 22 2.319 0.884 4.333
134 HH TYR 22 HH TYR 22 4.331 0.933 1.482
135 H ASN 23 H ASN 23 -2.415 -2.905 4.571
136 HA ASN 23 HA ASN 23 -4.339 -4.913 3.714
137 HB2 ASN 23 1HB ASN 23 -3.787 -3.515 6.320
138 HB3 ASN 23 2HB ASN 23 -5.275 -4.426 6.080
139 HD21 ASN 23 1HD2 ASN 23 -4.622 -5.842 7.740
140 HD22 ASN 23 2HD2 ASN 23 -3.438 -7.068 7.452
141 H GLN 24 H GLN 24 -4.131 -1.469 4.283
142 HA GLN 24 HA GLN 24 -6.969 -1.194 3.553
143 HB2 GLN 24 1HB GLN 24 -5.147 0.688 5.057
144 HB3 GLN 24 2HB GLN 24 -6.780 1.095 4.547
145 HG2 GLN 24 1HG GLN 24 -6.008 -1.100 6.456
146 HG3 GLN 24 2HG GLN 24 -6.737 0.448 6.879
147 HE21 GLN 24 1HE2 GLN 24 -7.360 -2.730 6.374
148 HE22 GLN 24 2HE2 GLN 24 -9.047 -2.645 6.012
149 H ARG 25 H ARG 25 -7.537 0.637 2.176
150 HA ARG 25 HA ARG 25 -5.820 0.781 -0.102
151 HB2 ARG 25 1HB ARG 25 -8.271 2.459 0.435
152 HB3 ARG 25 2HB ARG 25 -7.558 2.076 -1.126
153 HG2 ARG 25 1HG ARG 25 -8.283 -0.160 -1.027
154 HG3 ARG 25 2HG ARG 25 -8.669 -0.038 0.691
155 HD2 ARG 25 1HD ARG 25 -10.480 1.505 0.196
156 HD3 ARG 25 2HD ARG 25 -10.067 1.467 -1.518
157 HE ARG 25 HE ARG 25 -11.239 -0.480 -1.697
158 HH11 ARG 25 1HH1 ARG 25 -10.413 0.015 1.648
159 HH12 ARG 25 2HH1 ARG 25 -11.325 -1.347 2.210
160 HH21 ARG 25 1HH2 ARG 25 -12.444 -2.275 -0.970
161 HH22 ARG 25 2HH2 ARG 25 -12.480 -2.649 0.720
162 H VAL 26 H VAL 26 -6.938 3.168 2.288
163 HA VAL 26 HA VAL 26 -5.606 5.397 1.304
164 HB VAL 26 HB VAL 26 -7.289 5.285 3.221
165 HG11 VAL 26 1HG1 VAL 26 -4.872 5.048 4.978
166 HG12 VAL 26 2HG1 VAL 26 -6.577 4.887 5.404
167 HG13 VAL 26 3HG1 VAL 26 -5.776 3.620 4.474
168 HG21 VAL 26 3HG2 VAL 26 -5.953 7.207 4.447
169 HG22 VAL 26 1HG2 VAL 26 -4.889 7.031 3.051
170 HG23 VAL 26 2HG2 VAL 26 -6.592 7.425 2.818
171 H HIS 27 H HIS 27 -4.373 2.640 3.000
172 HA HIS 27 HA HIS 27 -1.915 3.850 3.835
173 HB2 HIS 27 1HB HIS 27 -2.920 1.019 3.696
174 HB3 HIS 27 2HB HIS 27 -1.240 1.365 4.095
175 HD1 HIS 27 HD1 HIS 27 -3.171 0.018 6.113
176 HD2 HIS 27 HD2 HIS 27 -2.364 4.091 5.969
177 HE1 HIS 27 HE1 HIS 27 -3.695 0.890 8.414
178 H LEU 28 H LEU 28 -3.022 2.107 1.010
179 HA LEU 28 HA LEU 28 -0.401 1.713 -0.088
180 HB2 LEU 28 1HB LEU 28 -2.181 0.190 -0.658
181 HB3 LEU 28 2HB LEU 28 -3.148 1.511 -1.311
182 HG LEU 28 HG LEU 28 -1.637 1.768 -3.167
183 HD11 LEU 28 1HD1 LEU 28 0.343 0.491 -3.465
184 HD12 LEU 28 2HD1 LEU 28 -0.007 -0.503 -2.051
185 HD13 LEU 28 3HD1 LEU 28 0.419 1.196 -1.850
186 HD21 LEU 28 3HD2 LEU 28 -3.407 -0.100 -3.077
187 HD22 LEU 28 1HD2 LEU 28 -2.031 -1.193 -2.926
188 HD23 LEU 28 2HD2 LEU 28 -2.185 -0.161 -4.348
189 H THR 29 H THR 29 -3.155 3.779 -1.020
190 HA THR 29 HA THR 29 -1.923 5.211 -3.041
191 HB THR 29 HB THR 29 -4.387 5.281 -2.187
192 HG1 THR 29 HG1 THR 29 -2.883 7.370 -3.353
193 HG21 THR 29 3HG2 THR 29 -3.299 7.724 -0.792
194 HG22 THR 29 1HG2 THR 29 -3.717 6.228 0.041
195 HG23 THR 29 2HG2 THR 29 -4.964 7.145 -0.804
196 H GLN 30 H GLN 30 -1.880 5.794 0.445
197 HA GLN 30 HA GLN 30 -0.474 8.260 0.295
198 HB2 GLN 30 1HB GLN 30 -0.868 6.293 2.550
199 HB3 GLN 30 2HB GLN 30 -0.037 7.830 2.743
200 HG2 GLN 30 1HG GLN 30 -2.809 7.727 1.630
201 HG3 GLN 30 2HG GLN 30 -2.528 7.658 3.369
202 HE21 GLN 30 1HE2 GLN 30 -3.198 9.670 0.882
203 HE22 GLN 30 2HE2 GLN 30 -2.608 11.157 1.535
204 H HIS 31 H HIS 31 0.478 4.992 0.009
205 HA HIS 31 HA HIS 31 3.238 5.472 0.765
206 HB2 HIS 31 1HB HIS 31 2.697 3.313 1.355
207 HB3 HIS 31 2HB HIS 31 1.626 3.090 -0.025
208 HD1 HIS 31 HD1 HIS 31 5.301 3.109 0.849
209 HD2 HIS 31 HD2 HIS 31 2.767 1.863 -2.199
210 HE1 HIS 31 HE1 HIS 31 6.735 1.744 -0.702
211 H GLN 32 H GLN 32 1.306 5.131 -2.138
212 HA GLN 32 HA GLN 32 3.341 4.784 -4.018
213 HB2 GLN 32 1HB GLN 32 0.658 6.146 -4.252
214 HB3 GLN 32 2HB GLN 32 1.709 5.835 -5.627
215 HG2 GLN 32 1HG GLN 32 1.629 3.404 -5.008
216 HG3 GLN 32 2HG GLN 32 0.372 3.822 -3.844
217 HE21 GLN 32 1HE2 GLN 32 -0.637 2.139 -5.357
218 HE22 GLN 32 2HE2 GLN 32 -1.543 2.774 -6.684
219 H ARG 33 H ARG 33 2.481 7.529 -2.148
220 HA ARG 33 HA ARG 33 3.377 9.605 -3.812
221 HB2 ARG 33 1HB ARG 33 3.298 9.384 -0.800
222 HB3 ARG 33 2HB ARG 33 3.681 10.869 -1.661
223 HG2 ARG 33 1HG ARG 33 1.478 10.831 -2.714
224 HG3 ARG 33 2HG ARG 33 1.094 9.341 -1.851
225 HD2 ARG 33 1HD ARG 33 1.813 11.948 -0.520
226 HD3 ARG 33 2HD ARG 33 0.162 11.394 -0.797
227 HE ARG 33 HE ARG 33 0.408 9.861 0.910
228 HH11 ARG 33 1HH1 ARG 33 3.472 11.338 0.168
229 HH12 ARG 33 2HH1 ARG 33 4.264 10.710 1.576
230 HH21 ARG 33 1HH2 ARG 33 1.439 9.029 2.767
231 HH22 ARG 33 2HH2 ARG 33 3.106 9.396 3.053
232 H VAL 34 H VAL 34 5.093 7.165 -2.147
233 HA VAL 34 HA VAL 34 7.568 8.574 -1.842
234 HB VAL 34 HB VAL 34 8.525 6.509 -1.167
235 HG11 VAL 34 1HG1 VAL 34 6.246 5.603 0.123
236 HG12 VAL 34 2HG1 VAL 34 7.374 6.825 0.715
237 HG13 VAL 34 3HG1 VAL 34 5.927 7.313 -0.168
238 HG21 VAL 34 3HG2 VAL 34 6.857 4.433 -1.409
239 HG22 VAL 34 1HG2 VAL 34 6.381 5.345 -2.842
240 HG23 VAL 34 2HG2 VAL 34 8.058 4.841 -2.634
241 H HIS 35 H HIS 35 5.966 7.149 -4.469
242 HA HIS 35 HA HIS 35 8.448 6.731 -5.969
243 HB2 HIS 35 1HB HIS 35 5.609 6.096 -6.794
244 HB3 HIS 35 2HB HIS 35 7.080 5.595 -7.622
245 HD1 HIS 35 HD1 HIS 35 8.717 4.462 -5.338
246 HD2 HIS 35 HD2 HIS 35 4.642 3.779 -5.776
247 HE1 HIS 35 HE1 HIS 35 8.250 2.341 -4.070
248 H THR 36 H THR 36 5.655 8.798 -5.772
249 HA THR 36 HA THR 36 6.386 10.176 -8.247
250 HB THR 36 HB THR 36 4.296 11.396 -8.023
251 HG1 THR 36 HG1 THR 36 4.516 11.088 -5.524
252 HG21 THR 36 3HG2 THR 36 3.206 8.775 -7.357
253 HG22 THR 36 1HG2 THR 36 4.522 8.694 -8.527
254 HG23 THR 36 2HG2 THR 36 3.106 9.692 -8.860
255 H GLY 37 H GLY 37 7.066 12.290 -8.328
256 HA2 GLY 37 1HA GLY 37 7.000 14.126 -6.207
257 HA3 GLY 37 2HA GLY 37 8.544 13.288 -6.155
258 H GLU 38 H GLU 38 9.783 13.266 -8.242
259 HA GLU 38 HA GLU 38 10.280 15.875 -9.099
260 HB2 GLU 38 1HB GLU 38 11.069 13.168 -10.101
261 HB3 GLU 38 2HB GLU 38 11.436 14.584 -11.077
262 HG2 GLU 38 1HG GLU 38 12.844 15.488 -9.437
263 HG3 GLU 38 2HG GLU 38 12.232 14.400 -8.193
264 H LYS 39 H LYS 39 10.183 16.648 -11.384
265 HA LYS 39 HA LYS 39 7.591 16.945 -12.268
266 HB2 LYS 39 1HB LYS 39 10.212 17.187 -13.736
267 HB3 LYS 39 2HB LYS 39 8.675 17.581 -14.496
268 HG2 LYS 39 1HG LYS 39 9.473 18.841 -11.901
269 HG3 LYS 39 2HG LYS 39 10.057 19.473 -13.442
270 HD2 LYS 39 1HD LYS 39 7.700 19.670 -14.195
271 HD3 LYS 39 2HD LYS 39 7.179 19.160 -12.587
272 HE2 LYS 39 1HE LYS 39 8.932 21.556 -13.098
273 HE3 LYS 39 2HE LYS 39 7.176 21.640 -12.977
274 HZ1 LYS 39 3HZ LYS 39 8.473 22.131 -10.889
275 HZ2 LYS 39 1HZ LYS 39 8.854 20.483 -10.831
276 HZ3 LYS 39 2HZ LYS 39 7.240 20.982 -10.741
277 HA PRO 40 HA PRO 40 6.449 13.302 -14.435
278 HB2 PRO 40 1HB PRO 40 4.893 14.325 -16.410
279 HB3 PRO 40 2HB PRO 40 4.381 14.261 -14.720
280 HG2 PRO 40 1HG PRO 40 5.514 16.558 -16.269
281 HG3 PRO 40 2HG PRO 40 4.161 16.540 -15.124
282 HD2 PRO 40 1HD PRO 40 6.637 17.396 -14.440
283 HD3 PRO 40 2HD PRO 40 5.551 16.595 -13.286
284 H SER 41 H SER 41 6.957 12.044 -16.216
285 HA SER 41 HA SER 41 7.948 13.052 -18.664
286 HB2 SER 41 1HB SER 41 9.926 13.681 -17.458
287 HB3 SER 41 2HB SER 41 10.002 12.113 -16.653
288 HG SER 41 HG SER 41 11.360 12.617 -18.662
289 H GLY 42 H GLY 42 8.344 11.414 -20.187
290 HA2 GLY 42 1HA GLY 42 8.769 8.740 -19.815
291 HA3 GLY 42 2HA GLY 42 7.036 8.927 -19.592
292 HA PRO 43 HA PRO 43 6.451 8.604 -23.923
293 HB2 PRO 43 1HB PRO 43 4.230 10.126 -24.264
294 HB3 PRO 43 2HB PRO 43 4.195 8.537 -23.492
295 HG2 PRO 43 1HG PRO 43 4.222 11.254 -22.235
296 HG3 PRO 43 2HG PRO 43 3.259 9.830 -21.801
297 HD2 PRO 43 1HD PRO 43 5.490 10.547 -20.445
298 HD3 PRO 43 2HD PRO 43 4.994 8.854 -20.639
299 H SER 44 H SER 44 6.893 11.704 -22.446
300 HA SER 44 HA SER 44 7.212 13.041 -25.023
301 HB2 SER 44 1HB SER 44 7.248 14.076 -22.181
302 HB3 SER 44 2HB SER 44 7.556 15.087 -23.593
303 HG SER 44 HG SER 44 5.432 14.263 -24.342
304 H SER 45 H SER 45 9.139 14.638 -25.072
305 HA SER 45 HA SER 45 11.513 13.096 -25.060
306 HB2 SER 45 1HB SER 45 10.811 15.230 -26.460
307 HB3 SER 45 2HB SER 45 11.629 16.083 -25.151
308 HG SER 45 HG SER 45 13.326 14.311 -25.676
309 H GLY 46 H GLY 46 10.529 15.905 -23.092
310 HA2 GLY 46 1HA GLY 46 10.899 15.727 -20.663
311 HA3 GLY 46 2HA GLY 46 12.445 14.982 -21.040
Start of MODEL 12
1 H1 GLY 1 H GLY 1 21.598 -16.646 -3.919
2 HA2 GLY 1 1HA GLY 1 22.285 -14.927 -1.729
3 HA3 GLY 1 2HA GLY 1 20.728 -15.012 -2.540
4 H SER 2 H SER 2 20.705 -14.647 0.119
5 HA SER 2 HA SER 2 19.944 -17.291 1.177
6 HB2 SER 2 1HB SER 2 21.437 -15.034 2.434
7 HB3 SER 2 2HB SER 2 20.358 -15.984 3.456
8 HG SER 2 HG SER 2 21.560 -17.837 2.353
9 H SER 3 H SER 3 17.792 -17.132 0.568
10 HA SER 3 HA SER 3 16.225 -15.185 2.114
11 HB2 SER 3 1HB SER 3 15.930 -15.866 -0.811
12 HB3 SER 3 2HB SER 3 14.621 -15.143 0.123
13 HG SER 3 HG SER 3 16.547 -13.611 0.696
14 H GLY 4 H GLY 4 14.857 -16.189 3.422
15 HA2 GLY 4 1HA GLY 4 13.656 -18.727 2.522
16 HA3 GLY 4 2HA GLY 4 14.371 -18.602 4.123
17 H SER 5 H SER 5 12.020 -16.860 2.084
18 HA SER 5 HA SER 5 10.048 -17.025 4.200
19 HB2 SER 5 1HB SER 5 11.411 -14.977 4.722
20 HB3 SER 5 2HB SER 5 10.889 -14.304 3.178
21 HG SER 5 HG SER 5 9.530 -14.523 5.543
22 H SER 6 H SER 6 8.263 -17.644 3.198
23 HA SER 6 HA SER 6 7.301 -16.216 0.877
24 HB2 SER 6 1HB SER 6 7.103 -18.164 -0.565
25 HB3 SER 6 2HB SER 6 8.791 -17.951 -0.101
26 HG SER 6 HG SER 6 7.222 -19.581 1.520
27 H GLY 7 H GLY 7 5.089 -16.785 0.322
28 HA2 GLY 7 1HA GLY 7 2.968 -17.637 0.769
29 HA3 GLY 7 2HA GLY 7 3.641 -18.536 2.120
30 H THR 8 H THR 8 3.183 -15.123 1.188
31 HA THR 8 HA THR 8 1.486 -14.557 3.386
32 HB THR 8 HB THR 8 3.584 -14.768 4.660
33 HG1 THR 8 HG1 THR 8 2.440 -12.177 4.403
34 HG21 THR 8 3HG2 THR 8 4.637 -12.301 3.346
35 HG22 THR 8 1HG2 THR 8 4.931 -13.870 2.598
36 HG23 THR 8 2HG2 THR 8 5.501 -13.554 4.237
37 H GLY 9 H GLY 9 0.441 -12.640 3.100
38 HA2 GLY 9 1HA GLY 9 0.613 -10.284 2.357
39 HA3 GLY 9 2HA GLY 9 1.469 -10.893 0.948
40 H GLU 10 H GLU 10 -1.511 -12.003 2.542
41 HA GLU 10 HA GLU 10 -2.819 -12.156 -0.041
42 HB2 GLU 10 1HB GLU 10 -3.463 -13.086 2.727
43 HB3 GLU 10 2HB GLU 10 -4.765 -12.931 1.556
44 HG2 GLU 10 1HG GLU 10 -3.919 -14.597 0.194
45 HG3 GLU 10 2HG GLU 10 -2.295 -14.459 0.865
46 H LYS 11 H LYS 11 -2.241 -9.554 0.478
47 HA LYS 11 HA LYS 11 -4.672 -8.316 1.532
48 HB2 LYS 11 1HB LYS 11 -1.977 -7.204 0.756
49 HB3 LYS 11 2HB LYS 11 -3.344 -6.178 1.170
50 HG2 LYS 11 1HG LYS 11 -2.201 -6.311 3.165
51 HG3 LYS 11 2HG LYS 11 -3.421 -7.575 3.348
52 HD2 LYS 11 1HD LYS 11 -1.754 -9.244 2.616
53 HD3 LYS 11 2HD LYS 11 -0.542 -7.964 2.528
54 HE2 LYS 11 1HE LYS 11 -2.079 -8.546 5.043
55 HE3 LYS 11 2HE LYS 11 -0.588 -9.395 4.640
56 HZ1 LYS 11 3HZ LYS 11 0.188 -6.883 4.299
57 HZ2 LYS 11 1HZ LYS 11 0.315 -7.692 5.779
58 HZ3 LYS 11 2HZ LYS 11 -0.983 -6.645 5.496
59 HA PRO 12 HA PRO 12 -6.365 -7.572 -2.462
60 HB2 PRO 12 1HB PRO 12 -7.943 -5.442 -1.874
61 HB3 PRO 12 2HB PRO 12 -8.332 -7.093 -1.375
62 HG2 PRO 12 1HG PRO 12 -7.073 -4.884 0.205
63 HG3 PRO 12 2HG PRO 12 -8.331 -6.033 0.695
64 HD2 PRO 12 1HD PRO 12 -5.731 -6.332 1.393
65 HD3 PRO 12 2HD PRO 12 -6.809 -7.714 1.109
66 H PHE 13 H PHE 13 -4.596 -5.136 -0.729
67 HA PHE 13 HA PHE 13 -4.264 -3.587 -3.210
68 HB2 PHE 13 1HB PHE 13 -3.537 -2.607 -0.457
69 HB3 PHE 13 2HB PHE 13 -3.834 -1.662 -1.913
70 HD1 PHE 13 HD1 PHE 13 -6.338 -2.450 -2.920
71 HD2 PHE 13 HD2 PHE 13 -5.110 -2.185 1.147
72 HE1 PHE 13 HE1 PHE 13 -8.681 -2.133 -2.237
73 HE2 PHE 13 HE2 PHE 13 -7.451 -1.868 1.837
74 HZ PHE 13 HZ PHE 13 -9.240 -1.843 0.144
75 H LYS 14 H LYS 14 -2.259 -3.219 -4.037
76 HA LYS 14 HA LYS 14 0.114 -3.948 -2.538
77 HB2 LYS 14 1HB LYS 14 -0.806 -6.046 -3.686
78 HB3 LYS 14 2HB LYS 14 -0.352 -5.278 -5.201
79 HG2 LYS 14 1HG LYS 14 1.982 -5.057 -4.160
80 HG3 LYS 14 2HG LYS 14 1.411 -6.241 -2.981
81 HD2 LYS 14 1HD LYS 14 2.300 -7.660 -4.532
82 HD3 LYS 14 2HD LYS 14 0.664 -7.519 -5.179
83 HE2 LYS 14 1HE LYS 14 2.809 -5.625 -6.054
84 HE3 LYS 14 2HE LYS 14 2.698 -7.234 -6.767
85 HZ1 LYS 14 3HZ LYS 14 1.142 -4.937 -7.316
86 HZ2 LYS 14 1HZ LYS 14 0.137 -6.194 -6.793
87 HZ3 LYS 14 2HZ LYS 14 1.161 -6.427 -8.119
88 H CYS 15 H CYS 15 1.942 -2.914 -3.243
89 HA CYS 15 HA CYS 15 1.523 -0.883 -5.306
90 HB2 CYS 15 1HB CYS 15 2.336 0.063 -3.291
91 HB3 CYS 15 2HB CYS 15 3.550 -1.198 -3.098
92 H GLY 16 H GLY 16 2.122 -1.389 -7.304
93 HA2 GLY 16 1HA GLY 16 3.976 -3.507 -7.857
94 HA3 GLY 16 2HA GLY 16 3.205 -2.461 -9.040
95 H GLU 17 H GLU 17 4.196 -0.044 -7.592
96 HA GLU 17 HA GLU 17 6.414 0.542 -9.111
97 HB2 GLU 17 1HB GLU 17 5.828 1.643 -6.357
98 HB3 GLU 17 2HB GLU 17 6.824 2.401 -7.592
99 HG2 GLU 17 1HG GLU 17 3.992 1.751 -8.229
100 HG3 GLU 17 2HG GLU 17 4.345 3.144 -7.208
101 H CYS 18 H CYS 18 6.368 -0.604 -5.742
102 HA CYS 18 HA CYS 18 9.184 -1.408 -6.078
103 HB2 CYS 18 1HB CYS 18 9.531 -1.008 -3.706
104 HB3 CYS 18 2HB CYS 18 8.908 0.452 -4.468
105 H GLY 19 H GLY 19 6.097 -2.170 -4.512
106 HA2 GLY 19 1HA GLY 19 5.360 -4.521 -4.796
107 HA3 GLY 19 2HA GLY 19 6.996 -4.982 -4.350
108 H LYS 20 H LYS 20 4.877 -2.543 -2.890
109 HA LYS 20 HA LYS 20 5.094 -4.021 -0.352
110 HB2 LYS 20 1HB LYS 20 4.984 -1.093 -0.987
111 HB3 LYS 20 2HB LYS 20 4.445 -1.668 0.585
112 HG2 LYS 20 1HG LYS 20 6.719 -2.835 0.728
113 HG3 LYS 20 2HG LYS 20 7.186 -1.792 -0.618
114 HD2 LYS 20 1HD LYS 20 6.272 0.123 0.869
115 HD3 LYS 20 2HD LYS 20 6.432 -1.044 2.184
116 HE2 LYS 20 1HE LYS 20 8.834 -1.371 1.236
117 HE3 LYS 20 2HE LYS 20 8.552 0.194 0.474
118 HZ1 LYS 20 3HZ LYS 20 9.101 1.139 2.384
119 HZ2 LYS 20 1HZ LYS 20 9.254 -0.364 3.146
120 HZ3 LYS 20 2HZ LYS 20 7.758 0.425 3.125
121 H SER 21 H SER 21 3.296 -4.793 0.546
122 HA SER 21 HA SER 21 0.718 -3.987 -0.613
123 HB2 SER 21 1HB SER 21 -0.149 -6.118 0.113
124 HB3 SER 21 2HB SER 21 1.373 -6.406 -0.731
125 HG SER 21 HG SER 21 1.008 -6.290 2.083
126 H TYR 22 H TYR 22 -1.099 -3.669 0.770
127 HA TYR 22 HA TYR 22 -0.574 -3.319 3.616
128 HB2 TYR 22 1HB TYR 22 -1.647 -1.069 1.902
129 HB3 TYR 22 2HB TYR 22 -1.421 -1.031 3.647
130 HD1 TYR 22 HD2 TYR 22 0.395 -1.285 0.422
131 HD2 TYR 22 HD1 TYR 22 0.654 -0.425 4.580
132 HE1 TYR 22 HE2 TYR 22 2.683 -0.444 0.099
133 HE2 TYR 22 HE1 TYR 22 2.943 0.420 4.269
134 HH TYR 22 HH TYR 22 4.345 1.323 2.487
135 H ASN 23 H ASN 23 -2.250 -3.981 4.794
136 HA ASN 23 HA ASN 23 -4.477 -5.229 3.760
137 HB2 ASN 23 1HB ASN 23 -4.357 -3.836 6.443
138 HB3 ASN 23 2HB ASN 23 -5.407 -5.178 5.997
139 HD21 ASN 23 1HD2 ASN 23 -4.777 -6.960 6.955
140 HD22 ASN 23 2HD2 ASN 23 -3.144 -7.483 7.169
141 H GLN 24 H GLN 24 -4.106 -1.856 4.736
142 HA GLN 24 HA GLN 24 -6.854 -1.287 3.917
143 HB2 GLN 24 1HB GLN 24 -4.798 0.504 5.223
144 HB3 GLN 24 2HB GLN 24 -6.472 0.936 4.898
145 HG2 GLN 24 1HG GLN 24 -5.432 -1.104 6.840
146 HG3 GLN 24 2HG GLN 24 -6.337 0.369 7.185
147 HE21 GLN 24 1HE2 GLN 24 -6.898 -2.414 7.898
148 HE22 GLN 24 2HE2 GLN 24 -8.466 -2.759 7.260
149 H ARG 25 H ARG 25 -7.326 0.432 2.439
150 HA ARG 25 HA ARG 25 -5.569 0.439 0.172
151 HB2 ARG 25 1HB ARG 25 -8.068 0.412 0.016
152 HB3 ARG 25 2HB ARG 25 -8.075 2.069 0.604
153 HG2 ARG 25 1HG ARG 25 -7.293 2.919 -1.358
154 HG3 ARG 25 2HG ARG 25 -6.411 1.448 -1.772
155 HD2 ARG 25 1HD ARG 25 -8.564 0.327 -2.225
156 HD3 ARG 25 2HD ARG 25 -9.398 1.844 -1.891
157 HE ARG 25 HE ARG 25 -7.582 2.467 -3.835
158 HH11 ARG 25 1HH1 ARG 25 -10.165 0.154 -3.514
159 HH12 ARG 25 2HH1 ARG 25 -10.530 0.130 -5.207
160 HH21 ARG 25 1HH2 ARG 25 -8.053 2.444 -6.067
161 HH22 ARG 25 2HH2 ARG 25 -9.327 1.433 -6.659
162 H VAL 26 H VAL 26 -6.717 2.897 2.467
163 HA VAL 26 HA VAL 26 -5.421 5.111 1.393
164 HB VAL 26 HB VAL 26 -7.100 5.171 3.242
165 HG11 VAL 26 1HG1 VAL 26 -4.965 4.839 5.262
166 HG12 VAL 26 2HG1 VAL 26 -6.684 4.453 5.352
167 HG13 VAL 26 3HG1 VAL 26 -5.580 3.370 4.504
168 HG21 VAL 26 3HG2 VAL 26 -5.088 6.747 4.529
169 HG22 VAL 26 1HG2 VAL 26 -4.879 6.839 2.780
170 HG23 VAL 26 2HG2 VAL 26 -6.426 7.272 3.508
171 H HIS 27 H HIS 27 -4.100 2.365 2.928
172 HA HIS 27 HA HIS 27 -1.669 3.657 3.807
173 HB2 HIS 27 1HB HIS 27 -2.788 0.903 3.907
174 HB3 HIS 27 2HB HIS 27 -1.036 1.064 3.967
175 HD1 HIS 27 HD1 HIS 27 -1.213 0.122 6.434
176 HD2 HIS 27 HD2 HIS 27 -2.952 3.845 5.819
177 HE1 HIS 27 HE1 HIS 27 -1.562 1.089 8.729
178 H LEU 28 H LEU 28 -2.848 2.107 0.962
179 HA LEU 28 HA LEU 28 -0.191 1.668 -0.133
180 HB2 LEU 28 1HB LEU 28 -1.704 -0.028 -0.699
181 HB3 LEU 28 2HB LEU 28 -2.977 1.123 -1.100
182 HG LEU 28 HG LEU 28 -1.624 1.803 -3.091
183 HD11 LEU 28 1HD1 LEU 28 0.506 1.177 -3.151
184 HD12 LEU 28 2HD1 LEU 28 -0.058 -0.457 -3.497
185 HD13 LEU 28 3HD1 LEU 28 0.275 0.026 -1.834
186 HD21 LEU 28 3HD2 LEU 28 -2.427 0.065 -4.430
187 HD22 LEU 28 1HD2 LEU 28 -3.497 0.056 -3.028
188 HD23 LEU 28 2HD2 LEU 28 -2.208 -1.140 -3.160
189 H THR 29 H THR 29 -3.103 3.459 -1.159
190 HA THR 29 HA THR 29 -2.017 4.886 -3.247
191 HB THR 29 HB THR 29 -4.450 4.851 -2.431
192 HG1 THR 29 HG1 THR 29 -4.737 6.454 -3.811
193 HG21 THR 29 3HG2 THR 29 -5.162 6.623 -0.979
194 HG22 THR 29 1HG2 THR 29 -3.528 7.277 -0.892
195 HG23 THR 29 2HG2 THR 29 -3.894 5.719 -0.151
196 H GLN 30 H GLN 30 -1.820 5.557 0.203
197 HA GLN 30 HA GLN 30 -0.626 8.131 -0.087
198 HB2 GLN 30 1HB GLN 30 -0.932 6.213 2.206
199 HB3 GLN 30 2HB GLN 30 0.030 7.675 2.372
200 HG2 GLN 30 1HG GLN 30 -1.937 9.013 1.744
201 HG3 GLN 30 2HG GLN 30 -2.891 7.532 1.664
202 HE21 GLN 30 1HE2 GLN 30 -2.022 10.082 3.576
203 HE22 GLN 30 2HE2 GLN 30 -2.434 9.428 5.121
204 H HIS 31 H HIS 31 0.619 4.866 0.446
205 HA HIS 31 HA HIS 31 3.319 5.579 0.824
206 HB2 HIS 31 1HB HIS 31 2.927 3.409 1.485
207 HB3 HIS 31 2HB HIS 31 1.863 3.072 0.122
208 HD1 HIS 31 HD1 HIS 31 5.505 3.228 1.044
209 HD2 HIS 31 HD2 HIS 31 3.097 1.990 -2.107
210 HE1 HIS 31 HE1 HIS 31 7.022 1.947 -0.498
211 H GLN 32 H GLN 32 1.505 4.657 -2.081
212 HA GLN 32 HA GLN 32 3.490 4.485 -3.947
213 HB2 GLN 32 1HB GLN 32 0.733 5.683 -4.181
214 HB3 GLN 32 2HB GLN 32 1.789 5.465 -5.570
215 HG2 GLN 32 1HG GLN 32 1.802 3.092 -5.269
216 HG3 GLN 32 2HG GLN 32 0.928 3.236 -3.744
217 HE21 GLN 32 1HE2 GLN 32 -0.309 1.593 -5.175
218 HE22 GLN 32 2HE2 GLN 32 -1.640 2.252 -6.058
219 H ARG 33 H ARG 33 2.315 7.349 -2.353
220 HA ARG 33 HA ARG 33 3.084 9.392 -3.993
221 HB2 ARG 33 1HB ARG 33 3.518 9.262 -1.002
222 HB3 ARG 33 2HB ARG 33 3.473 10.730 -1.969
223 HG2 ARG 33 1HG ARG 33 1.129 8.912 -2.084
224 HG3 ARG 33 2HG ARG 33 1.370 9.880 -0.628
225 HD2 ARG 33 1HD ARG 33 0.060 11.276 -1.918
226 HD3 ARG 33 2HD ARG 33 1.685 11.841 -2.303
227 HE ARG 33 HE ARG 33 1.233 10.011 -4.223
228 HH11 ARG 33 1HH1 ARG 33 -0.629 12.711 -3.055
229 HH12 ARG 33 2HH1 ARG 33 -1.384 13.019 -4.584
230 HH21 ARG 33 1HH2 ARG 33 0.245 10.407 -6.241
231 HH22 ARG 33 2HH2 ARG 33 -0.887 11.707 -6.395
232 H VAL 34 H VAL 34 5.150 7.347 -2.011
233 HA VAL 34 HA VAL 34 7.536 8.736 -2.110
234 HB VAL 34 HB VAL 34 8.681 6.597 -1.852
235 HG11 VAL 34 1HG1 VAL 34 7.621 7.527 0.108
236 HG12 VAL 34 2HG1 VAL 34 6.087 6.770 -0.324
237 HG13 VAL 34 3HG1 VAL 34 7.466 5.771 0.134
238 HG21 VAL 34 3HG2 VAL 34 6.988 4.566 -1.758
239 HG22 VAL 34 1HG2 VAL 34 6.125 5.546 -2.944
240 HG23 VAL 34 2HG2 VAL 34 7.784 5.037 -3.260
241 H HIS 35 H HIS 35 6.053 6.694 -4.567
242 HA HIS 35 HA HIS 35 8.328 7.076 -6.353
243 HB2 HIS 35 1HB HIS 35 5.813 5.623 -7.108
244 HB3 HIS 35 2HB HIS 35 7.460 5.353 -7.669
245 HD1 HIS 35 HD1 HIS 35 9.112 4.324 -5.742
246 HD2 HIS 35 HD2 HIS 35 5.019 3.914 -5.159
247 HE1 HIS 35 HE1 HIS 35 8.856 2.495 -4.034
248 H THR 36 H THR 36 6.452 9.256 -5.534
249 HA THR 36 HA THR 36 4.708 9.951 -7.604
250 HB THR 36 HB THR 36 4.677 11.102 -5.449
251 HG1 THR 36 HG1 THR 36 4.074 12.970 -6.345
252 HG21 THR 36 3HG2 THR 36 7.286 12.337 -6.337
253 HG22 THR 36 1HG2 THR 36 7.090 11.169 -5.031
254 HG23 THR 36 2HG2 THR 36 6.376 12.775 -4.892
255 H GLY 37 H GLY 37 8.176 10.282 -7.317
256 HA2 GLY 37 1HA GLY 37 9.762 11.170 -8.734
257 HA3 GLY 37 2HA GLY 37 8.760 10.440 -9.980
258 H GLU 38 H GLU 38 8.343 13.254 -7.831
259 HA GLU 38 HA GLU 38 6.872 14.848 -9.477
260 HB2 GLU 38 1HB GLU 38 9.030 15.592 -7.510
261 HB3 GLU 38 2HB GLU 38 8.055 16.802 -8.333
262 HG2 GLU 38 1HG GLU 38 6.855 14.580 -6.709
263 HG3 GLU 38 2HG GLU 38 7.309 16.138 -6.019
264 H LYS 39 H LYS 39 7.582 16.887 -10.616
265 HA LYS 39 HA LYS 39 9.429 16.165 -12.696
266 HB2 LYS 39 1HB LYS 39 7.977 18.776 -12.230
267 HB3 LYS 39 2HB LYS 39 8.799 18.302 -13.710
268 HG2 LYS 39 1HG LYS 39 7.160 16.812 -14.308
269 HG3 LYS 39 2HG LYS 39 6.625 16.567 -12.644
270 HD2 LYS 39 1HD LYS 39 6.315 19.277 -13.828
271 HD3 LYS 39 2HD LYS 39 5.218 18.004 -14.371
272 HE2 LYS 39 1HE LYS 39 4.067 18.912 -12.584
273 HE3 LYS 39 2HE LYS 39 4.903 17.553 -11.834
274 HZ1 LYS 39 3HZ LYS 39 6.079 20.263 -11.850
275 HZ2 LYS 39 1HZ LYS 39 6.449 18.958 -10.839
276 HZ3 LYS 39 2HZ LYS 39 4.986 19.786 -10.651
277 HA PRO 40 HA PRO 40 13.073 18.005 -11.048
278 HB2 PRO 40 1HB PRO 40 14.416 18.459 -13.363
279 HB3 PRO 40 2HB PRO 40 14.213 16.845 -12.671
280 HG2 PRO 40 1HG PRO 40 12.680 18.167 -14.877
281 HG3 PRO 40 2HG PRO 40 13.286 16.503 -14.776
282 HD2 PRO 40 1HD PRO 40 10.703 17.146 -14.280
283 HD3 PRO 40 2HD PRO 40 11.530 15.811 -13.452
284 H SER 41 H SER 41 12.787 19.981 -10.171
285 HA SER 41 HA SER 41 11.607 22.213 -11.127
286 HB2 SER 41 1HB SER 41 13.132 23.538 -9.665
287 HB3 SER 41 2HB SER 41 12.472 22.113 -8.862
288 HG SER 41 HG SER 41 15.014 22.196 -10.118
289 H GLY 42 H GLY 42 14.724 20.968 -12.072
290 HA2 GLY 42 1HA GLY 42 15.812 21.449 -14.092
291 HA3 GLY 42 2HA GLY 42 14.788 22.865 -14.281
292 HA PRO 43 HA PRO 43 18.235 24.203 -11.175
293 HB2 PRO 43 1HB PRO 43 20.222 22.417 -10.691
294 HB3 PRO 43 2HB PRO 43 18.743 22.493 -9.726
295 HG2 PRO 43 1HG PRO 43 19.453 20.634 -11.962
296 HG3 PRO 43 2HG PRO 43 18.664 20.274 -10.415
297 HD2 PRO 43 1HD PRO 43 17.282 20.532 -12.729
298 HD3 PRO 43 2HD PRO 43 16.603 20.993 -11.155
299 H SER 44 H SER 44 20.555 24.844 -11.440
300 HA SER 44 HA SER 44 22.067 25.835 -12.846
301 HB2 SER 44 1HB SER 44 22.171 22.985 -13.864
302 HB3 SER 44 2HB SER 44 23.408 24.210 -14.142
303 HG SER 44 HG SER 44 23.995 24.118 -12.064
304 H SER 45 H SER 45 19.518 26.339 -13.738
305 HA SER 45 HA SER 45 19.928 26.387 -16.645
306 HB2 SER 45 1HB SER 45 17.352 25.681 -15.224
307 HB3 SER 45 2HB SER 45 17.463 26.047 -16.945
308 HG SER 45 HG SER 45 17.781 23.722 -15.853
309 H GLY 46 H GLY 46 18.332 27.993 -17.680
310 HA2 GLY 46 1HA GLY 46 18.370 30.426 -16.020
311 HA3 GLY 46 2HA GLY 46 18.408 30.396 -17.777
Start of MODEL 13
1 H1 GLY 1 H GLY 1 9.160 -33.575 0.940
2 HA2 GLY 1 1HA GLY 1 7.638 -33.494 3.448
3 HA3 GLY 1 2HA GLY 1 9.386 -33.328 3.529
4 H SER 2 H SER 2 7.287 -31.432 4.297
5 HA SER 2 HA SER 2 8.264 -29.157 2.734
6 HB2 SER 2 1HB SER 2 5.960 -29.947 1.927
7 HB3 SER 2 2HB SER 2 5.348 -29.368 3.477
8 HG SER 2 HG SER 2 5.199 -27.561 2.380
9 H SER 3 H SER 3 7.576 -27.045 3.828
10 HA SER 3 HA SER 3 7.157 -27.225 6.689
11 HB2 SER 3 1HB SER 3 9.525 -27.517 6.705
12 HB3 SER 3 2HB SER 3 9.758 -26.251 5.500
13 HG SER 3 HG SER 3 8.956 -24.762 7.081
14 H GLY 4 H GLY 4 5.870 -25.610 7.279
15 HA2 GLY 4 1HA GLY 4 6.216 -22.915 6.560
16 HA3 GLY 4 2HA GLY 4 4.998 -23.618 5.505
17 H SER 5 H SER 5 3.045 -24.406 6.424
18 HA SER 5 HA SER 5 1.188 -24.012 7.704
19 HB2 SER 5 1HB SER 5 3.283 -24.875 9.690
20 HB3 SER 5 2HB SER 5 1.620 -24.563 10.186
21 HG SER 5 HG SER 5 2.654 -26.601 8.580
22 H SER 6 H SER 6 2.439 -21.631 7.012
23 HA SER 6 HA SER 6 2.305 -20.011 9.461
24 HB2 SER 6 1HB SER 6 3.498 -18.283 8.212
25 HB3 SER 6 2HB SER 6 4.379 -19.808 8.124
26 HG SER 6 HG SER 6 2.885 -19.945 6.076
27 H GLY 7 H GLY 7 -0.106 -20.935 8.436
28 HA2 GLY 7 1HA GLY 7 -2.211 -20.107 8.018
29 HA3 GLY 7 2HA GLY 7 -1.528 -18.492 8.125
30 H THR 8 H THR 8 -3.244 -18.283 6.371
31 HA THR 8 HA THR 8 -1.876 -18.286 3.822
32 HB THR 8 HB THR 8 -3.654 -19.452 2.600
33 HG1 THR 8 HG1 THR 8 -5.109 -20.752 4.036
34 HG21 THR 8 3HG2 THR 8 -1.742 -20.771 3.253
35 HG22 THR 8 1HG2 THR 8 -3.196 -21.752 3.427
36 HG23 THR 8 2HG2 THR 8 -2.431 -21.048 4.852
37 H GLY 9 H GLY 9 -2.133 -16.214 3.282
38 HA2 GLY 9 1HA GLY 9 -4.680 -15.157 2.639
39 HA3 GLY 9 2HA GLY 9 -4.136 -14.497 4.175
40 H GLU 10 H GLU 10 -4.610 -12.948 1.871
41 HA GLU 10 HA GLU 10 -1.989 -11.727 1.590
42 HB2 GLU 10 1HB GLU 10 -2.336 -13.403 -0.311
43 HB3 GLU 10 2HB GLU 10 -3.589 -12.317 -0.894
44 HG2 GLU 10 1HG GLU 10 -1.824 -11.572 -2.115
45 HG3 GLU 10 2HG GLU 10 -1.672 -10.530 -0.701
46 H LYS 11 H LYS 11 -2.063 -9.537 1.228
47 HA LYS 11 HA LYS 11 -4.410 -8.169 1.966
48 HB2 LYS 11 1HB LYS 11 -1.853 -7.196 0.686
49 HB3 LYS 11 2HB LYS 11 -3.132 -6.120 1.236
50 HG2 LYS 11 1HG LYS 11 -2.710 -6.526 3.454
51 HG3 LYS 11 2HG LYS 11 -1.994 -8.109 3.140
52 HD2 LYS 11 1HD LYS 11 -0.205 -6.625 1.860
53 HD3 LYS 11 2HD LYS 11 -0.775 -5.401 2.997
54 HE2 LYS 11 1HE LYS 11 0.064 -8.144 3.890
55 HE3 LYS 11 2HE LYS 11 1.223 -6.830 3.701
56 HZ1 LYS 11 3HZ LYS 11 0.283 -7.140 5.991
57 HZ2 LYS 11 1HZ LYS 11 -1.201 -6.597 5.387
58 HZ3 LYS 11 2HZ LYS 11 0.146 -5.576 5.360
59 HA PRO 12 HA PRO 12 -6.613 -7.827 -1.829
60 HB2 PRO 12 1HB PRO 12 -8.046 -5.582 -1.304
61 HB3 PRO 12 2HB PRO 12 -8.401 -7.145 -0.558
62 HG2 PRO 12 1HG PRO 12 -6.889 -4.814 0.556
63 HG3 PRO 12 2HG PRO 12 -8.094 -5.847 1.347
64 HD2 PRO 12 1HD PRO 12 -5.431 -6.163 1.726
65 HD3 PRO 12 2HD PRO 12 -6.569 -7.525 1.760
66 H PHE 13 H PHE 13 -4.520 -5.321 -0.677
67 HA PHE 13 HA PHE 13 -4.434 -4.158 -3.383
68 HB2 PHE 13 1HB PHE 13 -3.562 -2.673 -0.918
69 HB3 PHE 13 2HB PHE 13 -4.018 -2.026 -2.490
70 HD1 PHE 13 HD1 PHE 13 -6.488 -2.407 -3.203
71 HD2 PHE 13 HD2 PHE 13 -5.089 -2.651 0.809
72 HE1 PHE 13 HE1 PHE 13 -8.777 -2.030 -2.386
73 HE2 PHE 13 HE2 PHE 13 -7.376 -2.275 1.633
74 HZ PHE 13 HZ PHE 13 -9.224 -1.965 0.035
75 H LYS 14 H LYS 14 -2.341 -3.343 -4.077
76 HA LYS 14 HA LYS 14 0.018 -4.189 -2.650
77 HB2 LYS 14 1HB LYS 14 -0.849 -6.233 -3.908
78 HB3 LYS 14 2HB LYS 14 -0.441 -5.371 -5.385
79 HG2 LYS 14 1HG LYS 14 1.897 -5.133 -4.184
80 HG3 LYS 14 2HG LYS 14 1.334 -6.574 -3.334
81 HD2 LYS 14 1HD LYS 14 2.350 -7.567 -5.121
82 HD3 LYS 14 2HD LYS 14 0.735 -7.342 -5.799
83 HE2 LYS 14 1HE LYS 14 1.553 -5.155 -6.735
84 HE3 LYS 14 2HE LYS 14 3.176 -5.632 -6.238
85 HZ1 LYS 14 3HZ LYS 14 2.544 -7.773 -7.590
86 HZ2 LYS 14 1HZ LYS 14 3.160 -6.400 -8.364
87 HZ3 LYS 14 2HZ LYS 14 1.496 -6.706 -8.381
88 H CYS 15 H CYS 15 1.827 -3.077 -3.267
89 HA CYS 15 HA CYS 15 1.412 -0.778 -4.942
90 HB2 CYS 15 1HB CYS 15 2.739 -0.457 -2.979
91 HB3 CYS 15 2HB CYS 15 3.801 -1.796 -3.402
92 H GLY 16 H GLY 16 1.527 -0.886 -7.083
93 HA2 GLY 16 1HA GLY 16 3.061 -2.988 -8.376
94 HA3 GLY 16 2HA GLY 16 1.993 -1.837 -9.165
95 H GLU 17 H GLU 17 4.667 -1.101 -6.976
96 HA GLU 17 HA GLU 17 6.150 0.034 -9.248
97 HB2 GLU 17 1HB GLU 17 5.756 1.367 -6.562
98 HB3 GLU 17 2HB GLU 17 6.748 1.981 -7.878
99 HG2 GLU 17 1HG GLU 17 3.841 1.443 -8.303
100 HG3 GLU 17 2HG GLU 17 4.374 2.931 -7.522
101 H CYS 18 H CYS 18 6.335 -0.848 -5.806
102 HA CYS 18 HA CYS 18 9.108 -1.729 -6.278
103 HB2 CYS 18 1HB CYS 18 9.619 -1.191 -3.969
104 HB3 CYS 18 2HB CYS 18 8.940 0.227 -4.761
105 H GLY 19 H GLY 19 6.101 -2.368 -4.524
106 HA2 GLY 19 1HA GLY 19 5.429 -4.791 -4.712
107 HA3 GLY 19 2HA GLY 19 7.038 -5.137 -4.096
108 H LYS 20 H LYS 20 5.586 -2.353 -2.777
109 HA LYS 20 HA LYS 20 5.368 -3.651 -0.197
110 HB2 LYS 20 1HB LYS 20 5.293 -0.825 -1.175
111 HB3 LYS 20 2HB LYS 20 4.617 -1.197 0.406
112 HG2 LYS 20 1HG LYS 20 6.943 -2.421 0.707
113 HG3 LYS 20 2HG LYS 20 7.434 -1.249 -0.518
114 HD2 LYS 20 1HD LYS 20 6.376 0.522 0.960
115 HD3 LYS 20 2HD LYS 20 6.283 -0.718 2.212
116 HE2 LYS 20 1HE LYS 20 8.650 -0.961 2.258
117 HE3 LYS 20 2HE LYS 20 8.841 0.021 0.806
118 HZ1 LYS 20 3HZ LYS 20 8.149 0.889 3.540
119 HZ2 LYS 20 1HZ LYS 20 7.760 1.852 2.205
120 HZ3 LYS 20 2HZ LYS 20 9.374 1.460 2.523
121 H SER 21 H SER 21 3.579 -4.810 0.145
122 HA SER 21 HA SER 21 1.025 -3.924 -0.943
123 HB2 SER 21 1HB SER 21 1.437 -6.383 0.746
124 HB3 SER 21 2HB SER 21 0.210 -6.085 -0.485
125 HG SER 21 HG SER 21 2.816 -6.959 -0.753
126 H TYR 22 H TYR 22 -0.880 -3.779 0.397
127 HA TYR 22 HA TYR 22 -0.426 -3.370 3.253
128 HB2 TYR 22 1HB TYR 22 -1.489 -1.260 1.373
129 HB3 TYR 22 2HB TYR 22 -1.715 -1.194 3.117
130 HD1 TYR 22 HD2 TYR 22 0.800 -1.099 0.417
131 HD2 TYR 22 HD1 TYR 22 0.051 -0.514 4.564
132 HE1 TYR 22 HE2 TYR 22 2.992 -0.010 0.653
133 HE2 TYR 22 HE1 TYR 22 2.241 0.578 4.812
134 HH TYR 22 HH TYR 22 3.936 1.842 2.502
135 H ASN 23 H ASN 23 -2.253 -3.631 4.528
136 HA ASN 23 HA ASN 23 -4.298 -5.279 3.442
137 HB2 ASN 23 1HB ASN 23 -4.551 -3.925 6.108
138 HB3 ASN 23 2HB ASN 23 -5.052 -5.545 5.633
139 HD21 ASN 23 1HD2 ASN 23 -2.267 -3.520 6.326
140 HD22 ASN 23 2HD2 ASN 23 -1.215 -4.808 6.794
141 H GLN 24 H GLN 24 -4.045 -1.873 4.186
142 HA GLN 24 HA GLN 24 -6.856 -1.497 3.405
143 HB2 GLN 24 1HB GLN 24 -4.979 0.153 5.078
144 HB3 GLN 24 2HB GLN 24 -6.436 0.851 4.383
145 HG2 GLN 24 1HG GLN 24 -7.544 -1.265 5.526
146 HG3 GLN 24 2HG GLN 24 -6.129 -1.124 6.568
147 HE21 GLN 24 1HE2 GLN 24 -9.107 -0.601 6.877
148 HE22 GLN 24 2HE2 GLN 24 -9.179 0.967 7.599
149 H ARG 25 H ARG 25 -7.377 0.290 2.001
150 HA ARG 25 HA ARG 25 -5.450 0.552 -0.140
151 HB2 ARG 25 1HB ARG 25 -7.297 1.763 -1.297
152 HB3 ARG 25 2HB ARG 25 -7.736 0.145 -0.766
153 HG2 ARG 25 1HG ARG 25 -9.014 0.995 1.045
154 HG3 ARG 25 2HG ARG 25 -8.390 2.627 0.799
155 HD2 ARG 25 1HD ARG 25 -10.686 2.337 -0.060
156 HD3 ARG 25 2HD ARG 25 -9.536 2.791 -1.317
157 HE ARG 25 HE ARG 25 -9.552 0.128 -1.537
158 HH11 ARG 25 1HH1 ARG 25 -12.149 2.433 -1.287
159 HH12 ARG 25 2HH1 ARG 25 -13.258 1.481 -2.217
160 HH21 ARG 25 1HH2 ARG 25 -11.003 -1.135 -2.763
161 HH22 ARG 25 2HH2 ARG 25 -12.605 -0.549 -3.056
162 H VAL 26 H VAL 26 -6.989 2.619 2.267
163 HA VAL 26 HA VAL 26 -5.991 5.080 1.297
164 HB VAL 26 HB VAL 26 -7.845 5.076 2.834
165 HG11 VAL 26 1HG1 VAL 26 -7.951 3.759 4.620
166 HG12 VAL 26 2HG1 VAL 26 -6.352 3.137 4.204
167 HG13 VAL 26 3HG1 VAL 26 -6.508 4.504 5.308
168 HG21 VAL 26 3HG2 VAL 26 -6.019 6.916 2.857
169 HG22 VAL 26 1HG2 VAL 26 -7.236 6.898 4.133
170 HG23 VAL 26 2HG2 VAL 26 -5.620 6.265 4.447
171 H HIS 27 H HIS 27 -4.431 2.478 2.766
172 HA HIS 27 HA HIS 27 -2.311 4.110 3.934
173 HB2 HIS 27 1HB HIS 27 -2.800 1.128 3.930
174 HB3 HIS 27 2HB HIS 27 -1.385 1.885 4.656
175 HD1 HIS 27 HD1 HIS 27 -3.303 0.253 6.392
176 HD2 HIS 27 HD2 HIS 27 -3.611 4.359 5.838
177 HE1 HIS 27 HE1 HIS 27 -4.580 1.106 8.383
178 H LEU 28 H LEU 28 -3.004 2.222 1.124
179 HA LEU 28 HA LEU 28 -0.262 1.881 0.324
180 HB2 LEU 28 1HB LEU 28 -1.971 0.278 -0.342
181 HB3 LEU 28 2HB LEU 28 -2.833 1.542 -1.216
182 HG LEU 28 HG LEU 28 -0.820 1.741 -2.709
183 HD11 LEU 28 1HD1 LEU 28 0.789 -0.047 -2.741
184 HD12 LEU 28 2HD1 LEU 28 -0.029 -0.859 -1.407
185 HD13 LEU 28 3HD1 LEU 28 0.774 0.688 -1.138
186 HD21 LEU 28 3HD2 LEU 28 -2.406 0.624 -3.859
187 HD22 LEU 28 1HD2 LEU 28 -2.704 -0.520 -2.550
188 HD23 LEU 28 2HD2 LEU 28 -1.320 -0.746 -3.620
189 H THR 29 H THR 29 -2.989 3.817 -0.912
190 HA THR 29 HA THR 29 -1.712 5.207 -2.907
191 HB THR 29 HB THR 29 -4.174 5.332 -2.209
192 HG1 THR 29 HG1 THR 29 -2.561 7.384 -3.218
193 HG21 THR 29 3HG2 THR 29 -3.948 6.050 0.068
194 HG22 THR 29 1HG2 THR 29 -4.715 7.354 -0.837
195 HG23 THR 29 2HG2 THR 29 -3.006 7.459 -0.416
196 H GLN 30 H GLN 30 -1.635 5.819 0.561
197 HA GLN 30 HA GLN 30 -0.295 8.314 0.413
198 HB2 GLN 30 1HB GLN 30 -0.693 6.289 2.598
199 HB3 GLN 30 2HB GLN 30 0.325 7.701 2.848
200 HG2 GLN 30 1HG GLN 30 -2.597 7.705 2.130
201 HG3 GLN 30 2HG GLN 30 -1.895 8.107 3.696
202 HE21 GLN 30 1HE2 GLN 30 -0.841 10.067 3.964
203 HE22 GLN 30 2HE2 GLN 30 -1.001 11.364 2.834
204 H HIS 31 H HIS 31 0.778 4.985 0.470
205 HA HIS 31 HA HIS 31 3.530 5.584 0.974
206 HB2 HIS 31 1HB HIS 31 3.046 3.411 1.580
207 HB3 HIS 31 2HB HIS 31 1.977 3.152 0.205
208 HD1 HIS 31 HD1 HIS 31 5.693 3.508 0.911
209 HD2 HIS 31 HD2 HIS 31 3.107 1.748 -1.824
210 HE1 HIS 31 HE1 HIS 31 7.153 2.136 -0.609
211 H GLN 32 H GLN 32 1.643 4.788 -1.925
212 HA GLN 32 HA GLN 32 3.635 4.652 -3.810
213 HB2 GLN 32 1HB GLN 32 0.883 5.870 -4.080
214 HB3 GLN 32 2HB GLN 32 1.933 5.488 -5.438
215 HG2 GLN 32 1HG GLN 32 1.780 3.176 -5.043
216 HG3 GLN 32 2HG GLN 32 1.084 3.418 -3.441
217 HE21 GLN 32 1HE2 GLN 32 -0.199 1.728 -5.020
218 HE22 GLN 32 2HE2 GLN 32 -1.657 2.416 -5.642
219 H ARG 33 H ARG 33 2.463 7.441 -2.117
220 HA ARG 33 HA ARG 33 3.097 9.553 -3.721
221 HB2 ARG 33 1HB ARG 33 3.326 9.137 -0.764
222 HB3 ARG 33 2HB ARG 33 3.914 10.635 -1.474
223 HG2 ARG 33 1HG ARG 33 1.548 10.677 -2.593
224 HG3 ARG 33 2HG ARG 33 1.132 9.602 -1.257
225 HD2 ARG 33 1HD ARG 33 1.603 11.219 0.351
226 HD3 ARG 33 2HD ARG 33 2.585 12.173 -0.760
227 HE ARG 33 HE ARG 33 -0.170 11.998 -1.541
228 HH11 ARG 33 1HH1 ARG 33 2.125 13.697 0.450
229 HH12 ARG 33 2HH1 ARG 33 1.187 15.152 0.517
230 HH21 ARG 33 1HH2 ARG 33 -1.415 13.908 -1.460
231 HH22 ARG 33 2HH2 ARG 33 -0.827 15.271 -0.569
232 H VAL 34 H VAL 34 5.271 7.267 -2.320
233 HA VAL 34 HA VAL 34 7.645 8.834 -2.498
234 HB VAL 34 HB VAL 34 8.854 6.852 -2.015
235 HG11 VAL 34 1HG1 VAL 34 6.562 5.928 -0.503
236 HG12 VAL 34 2HG1 VAL 34 8.059 6.677 0.059
237 HG13 VAL 34 3HG1 VAL 34 6.710 7.685 -0.467
238 HG21 VAL 34 3HG2 VAL 34 7.678 4.606 -2.071
239 HG22 VAL 34 1HG2 VAL 34 6.420 5.399 -3.019
240 HG23 VAL 34 2HG2 VAL 34 8.071 5.321 -3.634
241 H HIS 35 H HIS 35 6.059 6.501 -4.627
242 HA HIS 35 HA HIS 35 8.152 6.715 -6.619
243 HB2 HIS 35 1HB HIS 35 5.480 5.379 -7.007
244 HB3 HIS 35 2HB HIS 35 7.007 5.025 -7.810
245 HD1 HIS 35 HD1 HIS 35 8.927 4.102 -6.013
246 HD2 HIS 35 HD2 HIS 35 4.919 3.645 -5.017
247 HE1 HIS 35 HE1 HIS 35 8.872 2.307 -4.252
248 H THR 36 H THR 36 4.927 7.955 -6.051
249 HA THR 36 HA THR 36 4.138 8.867 -8.498
250 HB THR 36 HB THR 36 3.002 10.738 -7.349
251 HG1 THR 36 HG1 THR 36 4.838 10.052 -5.356
252 HG21 THR 36 3HG2 THR 36 1.762 9.320 -5.660
253 HG22 THR 36 1HG2 THR 36 2.903 8.029 -6.034
254 HG23 THR 36 2HG2 THR 36 1.846 8.665 -7.295
255 H GLY 37 H GLY 37 4.282 10.949 -9.553
256 HA2 GLY 37 1HA GLY 37 5.338 12.986 -10.058
257 HA3 GLY 37 2HA GLY 37 6.554 12.633 -8.839
258 H GLU 38 H GLU 38 5.397 11.420 -11.983
259 HA GLU 38 HA GLU 38 7.632 9.961 -12.706
260 HB2 GLU 38 1HB GLU 38 5.323 10.320 -13.898
261 HB3 GLU 38 2HB GLU 38 6.186 11.583 -14.765
262 HG2 GLU 38 1HG GLU 38 6.459 9.799 -16.171
263 HG3 GLU 38 2HG GLU 38 7.933 9.709 -15.209
264 H LYS 39 H LYS 39 9.560 10.399 -13.699
265 HA LYS 39 HA LYS 39 10.750 12.913 -13.221
266 HB2 LYS 39 1HB LYS 39 11.563 10.391 -14.576
267 HB3 LYS 39 2HB LYS 39 12.493 11.840 -14.935
268 HG2 LYS 39 1HG LYS 39 11.969 10.861 -12.140
269 HG3 LYS 39 2HG LYS 39 13.392 10.413 -13.085
270 HD2 LYS 39 1HD LYS 39 13.864 12.871 -13.342
271 HD3 LYS 39 2HD LYS 39 12.580 13.167 -12.168
272 HE2 LYS 39 1HE LYS 39 13.759 12.082 -10.447
273 HE3 LYS 39 2HE LYS 39 14.876 11.322 -11.579
274 HZ1 LYS 39 3HZ LYS 39 16.231 13.045 -11.386
275 HZ2 LYS 39 1HZ LYS 39 15.207 13.721 -10.222
276 HZ3 LYS 39 2HZ LYS 39 15.014 14.123 -11.853
277 HA PRO 40 HA PRO 40 9.592 15.223 -16.784
278 HB2 PRO 40 1HB PRO 40 11.651 16.992 -16.843
279 HB3 PRO 40 2HB PRO 40 10.350 17.071 -15.649
280 HG2 PRO 40 1HG PRO 40 13.107 15.936 -15.376
281 HG3 PRO 40 2HG PRO 40 12.192 16.939 -14.235
282 HD2 PRO 40 1HD PRO 40 12.406 14.253 -13.966
283 HD3 PRO 40 2HD PRO 40 10.963 15.152 -13.454
284 H SER 41 H SER 41 12.945 14.088 -16.562
285 HA SER 41 HA SER 41 12.893 12.999 -19.188
286 HB2 SER 41 1HB SER 41 14.333 14.453 -20.362
287 HB3 SER 41 2HB SER 41 13.189 15.529 -19.560
288 HG SER 41 HG SER 41 15.141 16.381 -19.104
289 H GLY 42 H GLY 42 14.951 11.975 -19.774
290 HA2 GLY 42 1HA GLY 42 17.273 11.527 -19.002
291 HA3 GLY 42 2HA GLY 42 16.602 11.444 -17.380
292 HA PRO 43 HA PRO 43 14.987 7.513 -19.693
293 HB2 PRO 43 1HB PRO 43 16.052 7.022 -22.142
294 HB3 PRO 43 2HB PRO 43 14.580 7.972 -21.907
295 HG2 PRO 43 1HG PRO 43 17.386 8.908 -22.365
296 HG3 PRO 43 2HG PRO 43 15.876 9.512 -23.071
297 HD2 PRO 43 1HD PRO 43 17.121 10.754 -21.012
298 HD3 PRO 43 2HD PRO 43 15.356 10.761 -21.205
299 H SER 44 H SER 44 18.325 8.465 -20.412
300 HA SER 44 HA SER 44 19.217 5.901 -19.267
301 HB2 SER 44 1HB SER 44 19.690 5.699 -21.584
302 HB3 SER 44 2HB SER 44 20.267 7.362 -21.690
303 HG SER 44 HG SER 44 21.935 5.705 -21.616
304 H SER 45 H SER 45 19.419 6.961 -17.239
305 HA SER 45 HA SER 45 20.999 9.286 -16.863
306 HB2 SER 45 1HB SER 45 19.229 8.200 -15.289
307 HB3 SER 45 2HB SER 45 20.584 7.231 -14.710
308 HG SER 45 HG SER 45 21.576 9.038 -13.976
309 H GLY 46 H GLY 46 23.083 9.319 -17.434
310 HA2 GLY 46 1HA GLY 46 24.822 7.203 -17.722
311 HA3 GLY 46 2HA GLY 46 25.332 8.847 -17.362
Start of MODEL 14
1 H1 GLY 1 H GLY 1 9.975 -23.027 -5.586
2 HA2 GLY 1 1HA GLY 1 9.074 -22.312 -3.475
3 HA3 GLY 1 2HA GLY 1 8.300 -23.882 -3.319
4 H SER 2 H SER 2 9.886 -22.658 -1.321
5 HA SER 2 HA SER 2 12.422 -24.105 -1.370
6 HB2 SER 2 1HB SER 2 12.038 -21.634 -0.566
7 HB3 SER 2 2HB SER 2 11.534 -22.408 0.936
8 HG SER 2 HG SER 2 14.024 -22.773 -0.380
9 H SER 3 H SER 3 10.200 -25.760 -1.266
10 HA SER 3 HA SER 3 9.248 -27.475 -0.107
11 HB2 SER 3 1HB SER 3 11.899 -27.214 1.317
12 HB3 SER 3 2HB SER 3 10.759 -28.517 1.654
13 HG SER 3 HG SER 3 12.053 -29.329 0.106
14 H GLY 4 H GLY 4 8.308 -24.975 0.656
15 HA2 GLY 4 1HA GLY 4 7.209 -25.595 3.227
16 HA3 GLY 4 2HA GLY 4 8.351 -24.261 3.307
17 H SER 5 H SER 5 5.168 -24.986 3.038
18 HA SER 5 HA SER 5 4.505 -22.719 1.311
19 HB2 SER 5 1HB SER 5 2.170 -23.566 1.499
20 HB3 SER 5 2HB SER 5 3.285 -24.770 0.853
21 HG SER 5 HG SER 5 2.475 -24.598 3.569
22 H SER 6 H SER 6 4.257 -20.796 2.212
23 HA SER 6 HA SER 6 2.910 -20.601 4.808
24 HB2 SER 6 1HB SER 6 5.483 -19.168 4.102
25 HB3 SER 6 2HB SER 6 4.535 -18.901 5.566
26 HG SER 6 HG SER 6 6.381 -20.772 5.093
27 H GLY 7 H GLY 7 1.274 -19.214 4.712
28 HA2 GLY 7 1HA GLY 7 1.427 -16.660 3.501
29 HA3 GLY 7 2HA GLY 7 0.577 -17.769 2.435
30 H THR 8 H THR 8 0.578 -16.460 5.726
31 HA THR 8 HA THR 8 -1.759 -17.402 6.742
32 HB THR 8 HB THR 8 -0.792 -14.543 6.939
33 HG1 THR 8 HG1 THR 8 0.073 -15.409 8.967
34 HG21 THR 8 3HG2 THR 8 -2.859 -16.100 8.465
35 HG22 THR 8 1HG2 THR 8 -2.994 -14.499 7.740
36 HG23 THR 8 2HG2 THR 8 -2.018 -14.730 9.191
37 H GLY 9 H GLY 9 -1.470 -14.513 4.667
38 HA2 GLY 9 1HA GLY 9 -3.840 -15.050 3.235
39 HA3 GLY 9 2HA GLY 9 -4.197 -13.911 4.525
40 H GLU 10 H GLU 10 -4.013 -13.773 1.469
41 HA GLU 10 HA GLU 10 -1.895 -11.887 0.987
42 HB2 GLU 10 1HB GLU 10 -3.120 -13.564 -0.655
43 HB3 GLU 10 2HB GLU 10 -4.198 -12.195 -0.886
44 HG2 GLU 10 1HG GLU 10 -2.311 -10.809 -1.559
45 HG3 GLU 10 2HG GLU 10 -1.219 -12.171 -1.313
46 H LYS 11 H LYS 11 -2.353 -9.722 0.051
47 HA LYS 11 HA LYS 11 -4.475 -8.411 1.601
48 HB2 LYS 11 1HB LYS 11 -1.970 -7.285 0.337
49 HB3 LYS 11 2HB LYS 11 -3.174 -6.327 1.189
50 HG2 LYS 11 1HG LYS 11 -1.575 -6.652 2.810
51 HG3 LYS 11 2HG LYS 11 -2.714 -7.956 3.153
52 HD2 LYS 11 1HD LYS 11 -1.317 -9.570 2.129
53 HD3 LYS 11 2HD LYS 11 -0.298 -8.329 1.397
54 HE2 LYS 11 1HE LYS 11 0.871 -9.270 3.268
55 HE3 LYS 11 2HE LYS 11 0.385 -7.627 3.681
56 HZ1 LYS 11 3HZ LYS 11 -1.467 -9.751 4.411
57 HZ2 LYS 11 1HZ LYS 11 -1.043 -8.347 5.253
58 HZ3 LYS 11 2HZ LYS 11 -0.017 -9.691 5.281
59 HA PRO 12 HA PRO 12 -6.773 -7.514 -2.044
60 HB2 PRO 12 1HB PRO 12 -8.136 -5.333 -1.176
61 HB3 PRO 12 2HB PRO 12 -8.509 -6.975 -0.639
62 HG2 PRO 12 1HG PRO 12 -6.909 -4.850 0.735
63 HG3 PRO 12 2HG PRO 12 -8.117 -5.956 1.415
64 HD2 PRO 12 1HD PRO 12 -5.454 -6.376 1.665
65 HD3 PRO 12 2HD PRO 12 -6.623 -7.707 1.549
66 H PHE 13 H PHE 13 -4.357 -5.494 -0.805
67 HA PHE 13 HA PHE 13 -4.315 -3.968 -3.310
68 HB2 PHE 13 1HB PHE 13 -3.610 -2.652 -0.698
69 HB3 PHE 13 2HB PHE 13 -3.974 -1.898 -2.247
70 HD1 PHE 13 HD1 PHE 13 -6.428 -2.552 -3.146
71 HD2 PHE 13 HD2 PHE 13 -5.203 -2.466 0.929
72 HE1 PHE 13 HE1 PHE 13 -8.770 -2.257 -2.452
73 HE2 PHE 13 HE2 PHE 13 -7.542 -2.171 1.630
74 HZ PHE 13 HZ PHE 13 -9.330 -2.067 -0.061
75 H LYS 14 H LYS 14 -2.312 -3.607 -4.159
76 HA LYS 14 HA LYS 14 0.068 -4.130 -2.583
77 HB2 LYS 14 1HB LYS 14 -0.614 -6.362 -3.414
78 HB3 LYS 14 2HB LYS 14 -0.539 -5.753 -5.062
79 HG2 LYS 14 1HG LYS 14 1.837 -5.380 -4.859
80 HG3 LYS 14 2HG LYS 14 1.795 -5.864 -3.162
81 HD2 LYS 14 1HD LYS 14 0.895 -8.094 -3.962
82 HD3 LYS 14 2HD LYS 14 1.317 -7.572 -5.595
83 HE2 LYS 14 1HE LYS 14 3.122 -8.893 -4.758
84 HE3 LYS 14 2HE LYS 14 3.654 -7.212 -4.793
85 HZ1 LYS 14 3HZ LYS 14 3.517 -8.977 -2.595
86 HZ2 LYS 14 1HZ LYS 14 2.524 -7.639 -2.298
87 HZ3 LYS 14 2HZ LYS 14 4.161 -7.414 -2.661
88 H CYS 15 H CYS 15 1.645 -2.778 -3.156
89 HA CYS 15 HA CYS 15 1.257 -0.912 -5.272
90 HB2 CYS 15 1HB CYS 15 2.410 -0.166 -3.311
91 HB3 CYS 15 2HB CYS 15 3.596 -1.460 -3.443
92 H GLY 16 H GLY 16 1.366 -1.617 -7.321
93 HA2 GLY 16 1HA GLY 16 3.218 -3.678 -8.126
94 HA3 GLY 16 2HA GLY 16 2.096 -2.815 -9.167
95 H GLU 17 H GLU 17 4.642 -1.523 -7.064
96 HA GLU 17 HA GLU 17 6.060 -0.591 -9.467
97 HB2 GLU 17 1HB GLU 17 5.567 1.043 -6.971
98 HB3 GLU 17 2HB GLU 17 6.501 1.554 -8.371
99 HG2 GLU 17 1HG GLU 17 4.403 1.261 -9.732
100 HG3 GLU 17 2HG GLU 17 3.543 1.064 -8.207
101 H CYS 18 H CYS 18 6.262 -1.101 -5.958
102 HA CYS 18 HA CYS 18 9.113 -1.765 -6.309
103 HB2 CYS 18 1HB CYS 18 9.510 -0.985 -4.036
104 HB3 CYS 18 2HB CYS 18 8.771 0.296 -4.990
105 H GLY 19 H GLY 19 6.130 -2.511 -4.559
106 HA2 GLY 19 1HA GLY 19 5.608 -4.940 -4.459
107 HA3 GLY 19 2HA GLY 19 7.273 -5.168 -3.946
108 H LYS 20 H LYS 20 5.117 -2.600 -2.866
109 HA LYS 20 HA LYS 20 5.228 -3.762 -0.160
110 HB2 LYS 20 1HB LYS 20 5.267 -0.901 -1.095
111 HB3 LYS 20 2HB LYS 20 4.825 -1.323 0.554
112 HG2 LYS 20 1HG LYS 20 7.086 -2.635 0.509
113 HG3 LYS 20 2HG LYS 20 7.461 -1.528 -0.814
114 HD2 LYS 20 1HD LYS 20 8.249 -0.332 0.983
115 HD3 LYS 20 2HD LYS 20 6.598 0.285 0.877
116 HE2 LYS 20 1HE LYS 20 6.962 -0.187 3.158
117 HE3 LYS 20 2HE LYS 20 5.968 -1.509 2.549
118 HZ1 LYS 20 3HZ LYS 20 7.666 -2.458 3.867
119 HZ2 LYS 20 1HZ LYS 20 8.878 -1.552 3.110
120 HZ3 LYS 20 2HZ LYS 20 8.084 -2.779 2.259
121 H SER 21 H SER 21 3.342 -4.693 0.293
122 HA SER 21 HA SER 21 0.869 -3.592 -0.795
123 HB2 SER 21 1HB SER 21 0.715 -5.868 -1.054
124 HB3 SER 21 2HB SER 21 1.694 -6.205 0.373
125 HG SER 21 HG SER 21 -1.040 -5.512 0.228
126 H TYR 22 H TYR 22 -1.064 -3.650 0.742
127 HA TYR 22 HA TYR 22 -0.460 -3.060 3.511
128 HB2 TYR 22 1HB TYR 22 -1.621 -0.950 1.681
129 HB3 TYR 22 2HB TYR 22 -1.559 -0.832 3.436
130 HD1 TYR 22 HD2 TYR 22 0.520 -0.997 0.379
131 HD2 TYR 22 HD1 TYR 22 0.416 -0.134 4.544
132 HE1 TYR 22 HE2 TYR 22 2.769 -0.013 0.225
133 HE2 TYR 22 HE1 TYR 22 2.664 0.853 4.401
134 HH TYR 22 HH TYR 22 4.761 0.391 2.517
135 H ASN 23 H ASN 23 -2.013 -3.916 4.715
136 HA ASN 23 HA ASN 23 -4.179 -5.310 3.849
137 HB2 ASN 23 1HB ASN 23 -3.828 -3.781 6.430
138 HB3 ASN 23 2HB ASN 23 -5.178 -4.874 6.140
139 HD21 ASN 23 1HD2 ASN 23 -4.807 -7.083 6.013
140 HD22 ASN 23 2HD2 ASN 23 -3.339 -7.801 6.573
141 H GLN 24 H GLN 24 -4.031 -1.852 4.515
142 HA GLN 24 HA GLN 24 -6.816 -1.573 3.627
143 HB2 GLN 24 1HB GLN 24 -5.017 0.069 5.353
144 HB3 GLN 24 2HB GLN 24 -6.294 0.884 4.459
145 HG2 GLN 24 1HG GLN 24 -7.849 -0.886 5.493
146 HG3 GLN 24 2HG GLN 24 -6.525 -1.167 6.622
147 HE21 GLN 24 1HE2 GLN 24 -9.327 0.422 6.259
148 HE22 GLN 24 2HE2 GLN 24 -9.062 1.764 7.313
149 H ARG 25 H ARG 25 -7.294 0.365 2.272
150 HA ARG 25 HA ARG 25 -5.493 0.401 0.016
151 HB2 ARG 25 1HB ARG 25 -7.868 0.272 -0.419
152 HB3 ARG 25 2HB ARG 25 -8.156 1.744 0.500
153 HG2 ARG 25 1HG ARG 25 -6.917 3.034 -1.152
154 HG3 ARG 25 2HG ARG 25 -6.591 1.560 -2.066
155 HD2 ARG 25 1HD ARG 25 -8.911 1.264 -2.551
156 HD3 ARG 25 2HD ARG 25 -9.363 2.558 -1.443
157 HE ARG 25 HE ARG 25 -7.634 3.535 -3.460
158 HH11 ARG 25 1HH1 ARG 25 -10.913 2.500 -2.918
159 HH12 ARG 25 2HH1 ARG 25 -11.572 3.487 -4.180
160 HH21 ARG 25 1HH2 ARG 25 -8.489 4.839 -5.125
161 HH22 ARG 25 2HH2 ARG 25 -10.192 4.816 -5.436
162 H VAL 26 H VAL 26 -6.757 2.757 2.350
163 HA VAL 26 HA VAL 26 -5.611 5.071 1.377
164 HB VAL 26 HB VAL 26 -7.164 5.019 3.287
165 HG11 VAL 26 1HG1 VAL 26 -6.390 4.456 5.514
166 HG12 VAL 26 2HG1 VAL 26 -6.181 3.074 4.436
167 HG13 VAL 26 3HG1 VAL 26 -4.791 4.063 4.885
168 HG21 VAL 26 3HG2 VAL 26 -4.645 6.531 3.244
169 HG22 VAL 26 1HG2 VAL 26 -6.312 7.100 3.336
170 HG23 VAL 26 2HG2 VAL 26 -5.491 6.536 4.792
171 H HIS 27 H HIS 27 -4.115 2.435 3.120
172 HA HIS 27 HA HIS 27 -1.679 3.816 3.700
173 HB2 HIS 27 1HB HIS 27 -2.543 0.940 3.806
174 HB3 HIS 27 2HB HIS 27 -0.854 1.380 4.044
175 HD1 HIS 27 HD1 HIS 27 -2.685 0.105 6.262
176 HD2 HIS 27 HD2 HIS 27 -1.816 4.149 5.868
177 HE1 HIS 27 HE1 HIS 27 -3.029 1.093 8.549
178 H LEU 28 H LEU 28 -2.939 2.097 0.981
179 HA LEU 28 HA LEU 28 -0.384 1.605 -0.250
180 HB2 LEU 28 1HB LEU 28 -2.192 0.104 -0.726
181 HB3 LEU 28 2HB LEU 28 -3.209 1.433 -1.280
182 HG LEU 28 HG LEU 28 -1.691 1.750 -3.203
183 HD11 LEU 28 1HD1 LEU 28 0.054 0.226 -3.697
184 HD12 LEU 28 2HD1 LEU 28 -0.392 -0.828 -2.355
185 HD13 LEU 28 3HD1 LEU 28 0.305 0.760 -2.035
186 HD21 LEU 28 3HD2 LEU 28 -2.395 -1.123 -3.330
187 HD22 LEU 28 1HD2 LEU 28 -2.763 0.189 -4.450
188 HD23 LEU 28 2HD2 LEU 28 -3.699 0.008 -2.967
189 H THR 29 H THR 29 -3.153 3.689 -1.100
190 HA THR 29 HA THR 29 -1.936 5.098 -3.160
191 HB THR 29 HB THR 29 -4.385 5.165 -2.489
192 HG1 THR 29 HG1 THR 29 -3.111 6.708 -3.951
193 HG21 THR 29 3HG2 THR 29 -5.046 6.980 -0.965
194 HG22 THR 29 1HG2 THR 29 -3.348 7.276 -0.593
195 HG23 THR 29 2HG2 THR 29 -4.097 5.745 -0.139
196 H GLN 30 H GLN 30 -1.933 5.738 0.319
197 HA GLN 30 HA GLN 30 -0.581 8.224 0.167
198 HB2 GLN 30 1HB GLN 30 -1.144 6.251 2.343
199 HB3 GLN 30 2HB GLN 30 0.015 7.540 2.636
200 HG2 GLN 30 1HG GLN 30 -1.784 9.151 1.901
201 HG3 GLN 30 2HG GLN 30 -2.902 7.789 1.972
202 HE21 GLN 30 1HE2 GLN 30 -0.520 9.546 3.909
203 HE22 GLN 30 2HE2 GLN 30 -1.335 9.340 5.418
204 H HIS 31 H HIS 31 0.484 4.906 0.218
205 HA HIS 31 HA HIS 31 3.215 5.470 0.844
206 HB2 HIS 31 1HB HIS 31 2.694 3.279 1.351
207 HB3 HIS 31 2HB HIS 31 1.684 3.077 -0.078
208 HD1 HIS 31 HD1 HIS 31 5.258 2.952 1.048
209 HD2 HIS 31 HD2 HIS 31 3.005 2.175 -2.355
210 HE1 HIS 31 HE1 HIS 31 6.805 1.737 -0.519
211 H GLN 32 H GLN 32 1.333 5.211 -2.096
212 HA GLN 32 HA GLN 32 3.404 4.972 -3.957
213 HB2 GLN 32 1HB GLN 32 0.731 6.355 -4.233
214 HB3 GLN 32 2HB GLN 32 1.796 5.958 -5.575
215 HG2 GLN 32 1HG GLN 32 1.375 3.708 -5.426
216 HG3 GLN 32 2HG GLN 32 0.924 3.795 -3.725
217 HE21 GLN 32 1HE2 GLN 32 -0.758 2.364 -4.957
218 HE22 GLN 32 2HE2 GLN 32 -2.206 3.191 -5.406
219 H ARG 33 H ARG 33 2.615 7.554 -1.907
220 HA ARG 33 HA ARG 33 3.312 9.791 -3.422
221 HB2 ARG 33 1HB ARG 33 3.821 9.379 -0.471
222 HB3 ARG 33 2HB ARG 33 3.693 10.921 -1.306
223 HG2 ARG 33 1HG ARG 33 1.408 9.008 -1.399
224 HG3 ARG 33 2HG ARG 33 1.678 9.985 0.046
225 HD2 ARG 33 1HD ARG 33 1.373 11.057 -2.757
226 HD3 ARG 33 2HD ARG 33 0.108 11.043 -1.529
227 HE ARG 33 HE ARG 33 2.522 12.381 -0.712
228 HH11 ARG 33 1HH1 ARG 33 -0.552 12.715 -2.313
229 HH12 ARG 33 2HH1 ARG 33 -0.659 14.421 -2.034
230 HH21 ARG 33 1HH2 ARG 33 2.392 14.627 -0.339
231 HH22 ARG 33 2HH2 ARG 33 1.016 15.508 -0.911
232 H VAL 34 H VAL 34 5.237 7.201 -2.412
233 HA VAL 34 HA VAL 34 7.726 8.667 -2.286
234 HB VAL 34 HB VAL 34 8.796 6.517 -1.969
235 HG11 VAL 34 1HG1 VAL 34 6.231 6.571 -0.387
236 HG12 VAL 34 2HG1 VAL 34 7.774 5.866 0.099
237 HG13 VAL 34 3HG1 VAL 34 7.615 7.615 -0.069
238 HG21 VAL 34 3HG2 VAL 34 7.149 4.497 -1.819
239 HG22 VAL 34 1HG2 VAL 34 6.164 5.470 -2.913
240 HG23 VAL 34 2HG2 VAL 34 7.796 4.993 -3.383
241 H HIS 35 H HIS 35 6.005 6.632 -4.583
242 HA HIS 35 HA HIS 35 8.197 6.744 -6.490
243 HB2 HIS 35 1HB HIS 35 5.441 5.563 -6.875
244 HB3 HIS 35 2HB HIS 35 6.874 5.259 -7.853
245 HD1 HIS 35 HD1 HIS 35 8.918 4.626 -5.672
246 HD2 HIS 35 HD2 HIS 35 5.033 3.153 -5.692
247 HE1 HIS 35 HE1 HIS 35 8.982 2.542 -4.265
248 H THR 36 H THR 36 5.113 8.251 -5.894
249 HA THR 36 HA THR 36 4.547 9.318 -8.401
250 HB THR 36 HB THR 36 3.176 9.411 -6.184
251 HG1 THR 36 HG1 THR 36 3.267 11.250 -8.307
252 HG21 THR 36 3HG2 THR 36 4.544 12.100 -6.080
253 HG22 THR 36 1HG2 THR 36 4.880 10.766 -4.978
254 HG23 THR 36 2HG2 THR 36 3.281 11.509 -5.000
255 H GLY 37 H GLY 37 6.705 10.489 -5.863
256 HA2 GLY 37 1HA GLY 37 8.237 12.203 -5.832
257 HA3 GLY 37 2HA GLY 37 8.487 11.785 -7.521
258 H GLU 38 H GLU 38 8.974 14.216 -7.383
259 HA GLU 38 HA GLU 38 6.761 15.585 -8.590
260 HB2 GLU 38 1HB GLU 38 6.121 16.029 -6.330
261 HB3 GLU 38 2HB GLU 38 7.769 16.447 -5.881
262 HG2 GLU 38 1HG GLU 38 6.719 18.500 -6.039
263 HG3 GLU 38 2HG GLU 38 7.539 18.345 -7.591
264 H LYS 39 H LYS 39 7.420 17.236 -9.896
265 HA LYS 39 HA LYS 39 10.130 18.278 -9.641
266 HB2 LYS 39 1HB LYS 39 10.476 16.363 -11.069
267 HB3 LYS 39 2HB LYS 39 9.122 16.826 -12.092
268 HG2 LYS 39 1HG LYS 39 10.471 18.987 -12.508
269 HG3 LYS 39 2HG LYS 39 11.838 18.059 -11.887
270 HD2 LYS 39 1HD LYS 39 11.777 16.549 -13.649
271 HD3 LYS 39 2HD LYS 39 10.095 16.920 -14.038
272 HE2 LYS 39 1HE LYS 39 12.162 19.055 -14.304
273 HE3 LYS 39 2HE LYS 39 12.051 17.807 -15.544
274 HZ1 LYS 39 3HZ LYS 39 10.715 19.754 -16.090
275 HZ2 LYS 39 1HZ LYS 39 9.817 19.558 -14.669
276 HZ3 LYS 39 2HZ LYS 39 9.740 18.387 -15.887
277 HA PRO 40 HA PRO 40 8.095 21.990 -10.857
278 HB2 PRO 40 1HB PRO 40 10.270 23.433 -11.604
279 HB3 PRO 40 2HB PRO 40 9.876 23.094 -9.914
280 HG2 PRO 40 1HG PRO 40 11.843 21.729 -11.712
281 HG3 PRO 40 2HG PRO 40 12.025 22.210 -10.015
282 HD2 PRO 40 1HD PRO 40 11.469 19.666 -10.756
283 HD3 PRO 40 2HD PRO 40 10.875 20.370 -9.238
284 H SER 41 H SER 41 7.656 23.313 -12.706
285 HA SER 41 HA SER 41 7.548 21.872 -15.138
286 HB2 SER 41 1HB SER 41 5.856 23.544 -14.540
287 HB3 SER 41 2HB SER 41 7.072 24.819 -14.622
288 HG SER 41 HG SER 41 5.627 24.316 -16.549
289 H GLY 42 H GLY 42 9.661 21.324 -15.726
290 HA2 GLY 42 1HA GLY 42 11.054 22.290 -17.629
291 HA3 GLY 42 2HA GLY 42 11.399 23.583 -16.489
292 HA PRO 43 HA PRO 43 14.425 19.926 -16.138
293 HB2 PRO 43 1HB PRO 43 16.566 21.072 -17.352
294 HB3 PRO 43 2HB PRO 43 15.371 20.105 -18.224
295 HG2 PRO 43 1HG PRO 43 15.605 23.082 -18.007
296 HG3 PRO 43 2HG PRO 43 15.247 22.089 -19.431
297 HD2 PRO 43 1HD PRO 43 13.321 23.385 -18.038
298 HD3 PRO 43 2HD PRO 43 13.030 21.835 -18.854
299 H SER 44 H SER 44 16.756 20.177 -15.213
300 HA SER 44 HA SER 44 16.585 22.166 -13.074
301 HB2 SER 44 1HB SER 44 16.983 19.610 -12.732
302 HB3 SER 44 2HB SER 44 18.646 19.984 -13.184
303 HG SER 44 HG SER 44 18.739 21.436 -11.457
304 H SER 45 H SER 45 17.664 23.998 -13.298
305 HA SER 45 HA SER 45 20.275 23.942 -14.657
306 HB2 SER 45 1HB SER 45 17.942 25.755 -15.123
307 HB3 SER 45 2HB SER 45 19.571 26.405 -15.306
308 HG SER 45 HG SER 45 18.195 24.607 -16.879
309 H GLY 46 H GLY 46 18.166 25.884 -12.539
310 HA2 GLY 46 1HA GLY 46 19.893 27.688 -11.486
311 HA3 GLY 46 2HA GLY 46 18.657 26.895 -10.520
Start of MODEL 15
1 H1 GLY 1 H GLY 1 13.223 -31.822 5.102
2 HA2 GLY 1 1HA GLY 1 13.013 -29.570 5.496
3 HA3 GLY 1 2HA GLY 1 14.512 -29.373 4.599
4 H SER 2 H SER 2 11.020 -29.440 4.381
5 HA SER 2 HA SER 2 11.226 -28.006 1.819
6 HB2 SER 2 1HB SER 2 9.266 -29.159 0.978
7 HB3 SER 2 2HB SER 2 10.464 -30.357 1.469
8 HG SER 2 HG SER 2 9.145 -30.109 3.595
9 H SER 3 H SER 3 10.187 -26.119 1.768
10 HA SER 3 HA SER 3 7.988 -25.644 3.652
11 HB2 SER 3 1HB SER 3 10.346 -24.717 4.365
12 HB3 SER 3 2HB SER 3 9.986 -23.461 3.180
13 HG SER 3 HG SER 3 8.543 -24.136 5.518
14 H GLY 4 H GLY 4 6.814 -23.565 3.111
15 HA2 GLY 4 1HA GLY 4 7.045 -22.324 0.604
16 HA3 GLY 4 2HA GLY 4 5.916 -23.661 0.450
17 H SER 5 H SER 5 4.456 -21.836 -0.117
18 HA SER 5 HA SER 5 2.734 -21.259 2.055
19 HB2 SER 5 1HB SER 5 4.459 -19.580 2.572
20 HB3 SER 5 2HB SER 5 4.290 -18.907 0.951
21 HG SER 5 HG SER 5 2.841 -17.696 1.881
22 H SER 6 H SER 6 0.742 -21.100 1.259
23 HA SER 6 HA SER 6 0.346 -20.992 -1.586
24 HB2 SER 6 1HB SER 6 -1.687 -21.059 0.657
25 HB3 SER 6 2HB SER 6 -2.030 -21.324 -1.052
26 HG SER 6 HG SER 6 -0.050 -22.900 0.107
27 H GLY 7 H GLY 7 -1.031 -19.483 -2.687
28 HA2 GLY 7 1HA GLY 7 -0.631 -16.769 -1.720
29 HA3 GLY 7 2HA GLY 7 -1.200 -17.236 -3.316
30 H THR 8 H THR 8 -2.402 -17.946 -0.041
31 HA THR 8 HA THR 8 -5.028 -16.927 -0.902
32 HB THR 8 HB THR 8 -5.176 -19.265 -0.365
33 HG1 THR 8 HG1 THR 8 -6.186 -17.611 1.726
34 HG21 THR 8 3HG2 THR 8 -3.271 -19.695 0.957
35 HG22 THR 8 1HG2 THR 8 -4.644 -19.987 2.024
36 HG23 THR 8 2HG2 THR 8 -3.729 -18.485 2.156
37 H GLY 9 H GLY 9 -2.427 -16.456 1.262
38 HA2 GLY 9 1HA GLY 9 -4.089 -14.703 2.958
39 HA3 GLY 9 2HA GLY 9 -2.579 -15.442 3.469
40 H GLU 10 H GLU 10 -3.809 -13.266 0.926
41 HA GLU 10 HA GLU 10 -1.411 -11.608 1.346
42 HB2 GLU 10 1HB GLU 10 -1.388 -11.076 -1.028
43 HB3 GLU 10 2HB GLU 10 -1.272 -12.814 -0.794
44 HG2 GLU 10 1HG GLU 10 -3.545 -13.130 -1.423
45 HG3 GLU 10 2HG GLU 10 -3.846 -11.393 -1.417
46 H LYS 11 H LYS 11 -1.669 -9.356 1.099
47 HA LYS 11 HA LYS 11 -4.064 -8.303 2.108
48 HB2 LYS 11 1HB LYS 11 -1.585 -7.136 0.918
49 HB3 LYS 11 2HB LYS 11 -2.980 -6.089 1.150
50 HG2 LYS 11 1HG LYS 11 -1.858 -5.766 3.116
51 HG3 LYS 11 2HG LYS 11 -2.948 -7.079 3.570
52 HD2 LYS 11 1HD LYS 11 -0.285 -7.793 2.457
53 HD3 LYS 11 2HD LYS 11 -0.353 -7.164 4.105
54 HE2 LYS 11 1HE LYS 11 -2.312 -8.937 4.301
55 HE3 LYS 11 2HE LYS 11 -1.422 -9.702 2.985
56 HZ1 LYS 11 3HZ LYS 11 0.596 -9.406 4.500
57 HZ2 LYS 11 1HZ LYS 11 -0.513 -10.622 4.894
58 HZ3 LYS 11 2HZ LYS 11 -0.524 -9.160 5.744
59 HA PRO 12 HA PRO 12 -6.654 -7.754 -1.395
60 HB2 PRO 12 1HB PRO 12 -7.977 -5.485 -0.707
61 HB3 PRO 12 2HB PRO 12 -8.276 -7.045 0.070
62 HG2 PRO 12 1HG PRO 12 -6.604 -4.748 1.014
63 HG3 PRO 12 2HG PRO 12 -7.733 -5.762 1.932
64 HD2 PRO 12 1HD PRO 12 -5.051 -6.129 2.009
65 HD3 PRO 12 2HD PRO 12 -6.204 -7.470 2.167
66 H PHE 13 H PHE 13 -4.384 -5.309 -0.486
67 HA PHE 13 HA PHE 13 -4.516 -4.200 -3.212
68 HB2 PHE 13 1HB PHE 13 -3.727 -2.642 -0.746
69 HB3 PHE 13 2HB PHE 13 -3.972 -2.014 -2.372
70 HD1 PHE 13 HD1 PHE 13 -6.320 -2.175 -3.359
71 HD2 PHE 13 HD2 PHE 13 -5.476 -2.689 0.781
72 HE1 PHE 13 HE1 PHE 13 -8.676 -1.706 -2.824
73 HE2 PHE 13 HE2 PHE 13 -7.830 -2.222 1.323
74 HZ PHE 13 HZ PHE 13 -9.434 -1.731 -0.481
75 H LYS 14 H LYS 14 -2.486 -3.351 -4.033
76 HA LYS 14 HA LYS 14 -0.042 -4.063 -2.669
77 HB2 LYS 14 1HB LYS 14 -0.829 -6.185 -3.782
78 HB3 LYS 14 2HB LYS 14 -0.637 -5.367 -5.327
79 HG2 LYS 14 1HG LYS 14 1.786 -4.934 -4.510
80 HG3 LYS 14 2HG LYS 14 1.450 -6.251 -3.384
81 HD2 LYS 14 1HD LYS 14 0.664 -7.545 -5.469
82 HD3 LYS 14 2HD LYS 14 1.529 -6.307 -6.383
83 HE2 LYS 14 1HE LYS 14 3.204 -7.836 -6.145
84 HE3 LYS 14 2HE LYS 14 3.454 -6.905 -4.668
85 HZ1 LYS 14 3HZ LYS 14 2.175 -8.552 -3.453
86 HZ2 LYS 14 1HZ LYS 14 3.483 -9.283 -4.239
87 HZ3 LYS 14 2HZ LYS 14 1.921 -9.442 -4.869
88 H CYS 15 H CYS 15 1.680 -2.875 -3.359
89 HA CYS 15 HA CYS 15 1.108 -0.720 -5.203
90 HB2 CYS 15 1HB CYS 15 2.291 0.020 -3.324
91 HB3 CYS 15 2HB CYS 15 3.377 -1.366 -3.344
92 H GLY 16 H GLY 16 1.246 -1.151 -7.313
93 HA2 GLY 16 1HA GLY 16 3.109 -3.125 -8.324
94 HA3 GLY 16 2HA GLY 16 1.940 -2.211 -9.266
95 H GLU 17 H GLU 17 4.543 -1.091 -7.123
96 HA GLU 17 HA GLU 17 5.868 0.100 -9.460
97 HB2 GLU 17 1HB GLU 17 5.369 1.510 -6.832
98 HB3 GLU 17 2HB GLU 17 6.282 2.158 -8.187
99 HG2 GLU 17 1HG GLU 17 4.225 2.017 -9.568
100 HG3 GLU 17 2HG GLU 17 3.342 1.528 -8.123
101 H CYS 18 H CYS 18 6.130 -0.785 -6.039
102 HA CYS 18 HA CYS 18 8.996 -1.309 -6.484
103 HB2 CYS 18 1HB CYS 18 9.492 -0.619 -4.257
104 HB3 CYS 18 2HB CYS 18 8.483 0.642 -4.958
105 H GLY 19 H GLY 19 6.089 -2.254 -4.689
106 HA2 GLY 19 1HA GLY 19 5.612 -4.700 -4.808
107 HA3 GLY 19 2HA GLY 19 7.293 -4.933 -4.351
108 H LYS 20 H LYS 20 4.747 -2.778 -3.105
109 HA LYS 20 HA LYS 20 5.077 -4.065 -0.476
110 HB2 LYS 20 1HB LYS 20 4.976 -1.133 -1.154
111 HB3 LYS 20 2HB LYS 20 4.570 -1.720 0.454
112 HG2 LYS 20 1HG LYS 20 6.852 -2.862 0.422
113 HG3 LYS 20 2HG LYS 20 7.205 -1.834 -0.969
114 HD2 LYS 20 1HD LYS 20 8.023 -0.607 0.835
115 HD3 LYS 20 2HD LYS 20 6.435 0.105 0.544
116 HE2 LYS 20 1HE LYS 20 5.558 -1.502 2.303
117 HE3 LYS 20 2HE LYS 20 7.244 -1.828 2.702
118 HZ1 LYS 20 3HZ LYS 20 5.933 0.836 2.794
119 HZ2 LYS 20 1HZ LYS 20 7.548 0.517 3.186
120 HZ3 LYS 20 2HZ LYS 20 6.306 -0.126 4.135
121 H SER 21 H SER 21 3.246 -4.853 0.313
122 HA SER 21 HA SER 21 0.707 -3.903 -0.819
123 HB2 SER 21 1HB SER 21 -0.243 -6.031 -0.108
124 HB3 SER 21 2HB SER 21 1.214 -6.321 -1.059
125 HG SER 21 HG SER 21 1.367 -6.132 1.744
126 H TYR 22 H TYR 22 -1.095 -3.535 0.555
127 HA TYR 22 HA TYR 22 -0.475 -3.180 3.403
128 HB2 TYR 22 1HB TYR 22 -1.612 -1.114 1.526
129 HB3 TYR 22 2HB TYR 22 -1.830 -1.014 3.270
130 HD1 TYR 22 HD2 TYR 22 0.663 -0.943 0.551
131 HD2 TYR 22 HD1 TYR 22 -0.052 -0.312 4.698
132 HE1 TYR 22 HE2 TYR 22 2.851 0.162 0.754
133 HE2 TYR 22 HE1 TYR 22 2.133 0.797 4.912
134 HH TYR 22 HH TYR 22 3.717 2.106 3.107
135 H ASN 23 H ASN 23 -2.223 -3.379 4.808
136 HA ASN 23 HA ASN 23 -4.228 -5.177 4.098
137 HB2 ASN 23 1HB ASN 23 -3.534 -4.870 6.412
138 HB3 ASN 23 2HB ASN 23 -4.151 -3.220 6.405
139 HD21 ASN 23 1HD2 ASN 23 -6.357 -2.863 6.497
140 HD22 ASN 23 2HD2 ASN 23 -7.476 -4.102 6.941
141 H GLN 24 H GLN 24 -4.279 -1.651 4.264
142 HA GLN 24 HA GLN 24 -6.971 -1.695 3.071
143 HB2 GLN 24 1HB GLN 24 -5.670 0.127 5.036
144 HB3 GLN 24 2HB GLN 24 -6.824 0.825 3.907
145 HG2 GLN 24 1HG GLN 24 -8.346 -1.141 4.693
146 HG3 GLN 24 2HG GLN 24 -7.266 -1.156 6.086
147 HE21 GLN 24 1HE2 GLN 24 -9.706 0.599 4.365
148 HE22 GLN 24 2HE2 GLN 24 -10.007 1.786 5.584
149 H ARG 25 H ARG 25 -7.382 0.405 1.766
150 HA ARG 25 HA ARG 25 -5.331 0.503 -0.280
151 HB2 ARG 25 1HB ARG 25 -7.014 1.883 -1.511
152 HB3 ARG 25 2HB ARG 25 -7.593 0.288 -1.050
153 HG2 ARG 25 1HG ARG 25 -8.889 1.194 0.735
154 HG3 ARG 25 2HG ARG 25 -8.171 2.791 0.514
155 HD2 ARG 25 1HD ARG 25 -9.133 2.699 -1.851
156 HD3 ARG 25 2HD ARG 25 -10.091 1.334 -1.279
157 HE ARG 25 HE ARG 25 -10.473 3.401 0.529
158 HH11 ARG 25 1HH1 ARG 25 -11.073 2.772 -2.842
159 HH12 ARG 25 2HH1 ARG 25 -12.463 3.803 -2.921
160 HH21 ARG 25 1HH2 ARG 25 -12.302 4.760 0.438
161 HH22 ARG 25 2HH2 ARG 25 -13.161 4.933 -1.055
162 H VAL 26 H VAL 26 -6.905 2.720 1.985
163 HA VAL 26 HA VAL 26 -5.754 5.110 1.153
164 HB VAL 26 HB VAL 26 -7.495 5.219 2.762
165 HG11 VAL 26 1HG1 VAL 26 -6.129 4.199 5.105
166 HG12 VAL 26 2HG1 VAL 26 -7.734 3.817 4.477
167 HG13 VAL 26 3HG1 VAL 26 -6.318 2.965 3.860
168 HG21 VAL 26 3HG2 VAL 26 -6.672 6.852 4.158
169 HG22 VAL 26 1HG2 VAL 26 -5.182 5.968 4.488
170 HG23 VAL 26 2HG2 VAL 26 -5.399 6.783 2.939
171 H HIS 27 H HIS 27 -4.358 2.439 2.854
172 HA HIS 27 HA HIS 27 -2.077 3.925 3.818
173 HB2 HIS 27 1HB HIS 27 -3.025 1.109 3.979
174 HB3 HIS 27 2HB HIS 27 -1.295 1.390 4.149
175 HD1 HIS 27 HD1 HIS 27 -0.559 1.807 6.466
176 HD2 HIS 27 HD2 HIS 27 -4.540 2.854 5.902
177 HE1 HIS 27 HE1 HIS 27 -1.391 2.530 8.727
178 H LEU 28 H LEU 28 -2.902 1.949 1.063
179 HA LEU 28 HA LEU 28 -0.212 1.597 0.149
180 HB2 LEU 28 1HB LEU 28 -1.624 -0.051 -0.630
181 HB3 LEU 28 2HB LEU 28 -2.931 1.083 -0.964
182 HG LEU 28 HG LEU 28 -1.604 1.922 -2.908
183 HD11 LEU 28 1HD1 LEU 28 0.081 -0.535 -2.494
184 HD12 LEU 28 2HD1 LEU 28 0.587 1.080 -2.000
185 HD13 LEU 28 3HD1 LEU 28 0.284 0.734 -3.702
186 HD21 LEU 28 3HD2 LEU 28 -3.423 0.284 -3.150
187 HD22 LEU 28 1HD2 LEU 28 -2.255 -1.023 -2.956
188 HD23 LEU 28 2HD2 LEU 28 -2.151 0.052 -4.350
189 H THR 29 H THR 29 -2.943 3.574 -1.010
190 HA THR 29 HA THR 29 -1.689 4.929 -3.051
191 HB THR 29 HB THR 29 -4.128 5.091 -2.396
192 HG1 THR 29 HG1 THR 29 -4.084 7.491 -2.963
193 HG21 THR 29 3HG2 THR 29 -4.807 6.789 -0.836
194 HG22 THR 29 1HG2 THR 29 -3.136 7.286 -0.577
195 HG23 THR 29 2HG2 THR 29 -3.683 5.706 -0.017
196 H GLN 30 H GLN 30 -1.763 5.792 0.394
197 HA GLN 30 HA GLN 30 -0.361 8.200 0.217
198 HB2 GLN 30 1HB GLN 30 -0.691 6.177 2.413
199 HB3 GLN 30 2HB GLN 30 0.328 7.592 2.638
200 HG2 GLN 30 1HG GLN 30 -1.786 8.885 1.820
201 HG3 GLN 30 2HG GLN 30 -2.626 7.416 2.315
202 HE21 GLN 30 1HE2 GLN 30 -3.562 7.802 4.190
203 HE22 GLN 30 2HE2 GLN 30 -2.823 8.555 5.558
204 H HIS 31 H HIS 31 0.803 4.881 0.545
205 HA HIS 31 HA HIS 31 3.533 5.526 0.894
206 HB2 HIS 31 1HB HIS 31 3.110 3.351 1.516
207 HB3 HIS 31 2HB HIS 31 2.001 3.070 0.177
208 HD1 HIS 31 HD1 HIS 31 5.728 3.433 0.795
209 HD2 HIS 31 HD2 HIS 31 3.088 1.701 -1.906
210 HE1 HIS 31 HE1 HIS 31 7.158 2.075 -0.767
211 H GLN 32 H GLN 32 1.615 4.722 -1.977
212 HA GLN 32 HA GLN 32 3.576 4.574 -3.891
213 HB2 GLN 32 1HB GLN 32 0.827 5.807 -4.113
214 HB3 GLN 32 2HB GLN 32 1.855 5.438 -5.491
215 HG2 GLN 32 1HG GLN 32 1.790 3.085 -4.960
216 HG3 GLN 32 2HG GLN 32 0.863 3.415 -3.497
217 HE21 GLN 32 1HE2 GLN 32 0.294 1.823 -5.958
218 HE22 GLN 32 2HE2 GLN 32 -1.232 2.407 -6.519
219 H ARG 33 H ARG 33 2.344 7.406 -2.268
220 HA ARG 33 HA ARG 33 3.081 9.466 -3.908
221 HB2 ARG 33 1HB ARG 33 3.286 9.235 -0.907
222 HB3 ARG 33 2HB ARG 33 3.587 10.738 -1.767
223 HG2 ARG 33 1HG ARG 33 1.210 10.196 -2.798
224 HG3 ARG 33 2HG ARG 33 1.041 9.302 -1.286
225 HD2 ARG 33 1HD ARG 33 1.884 11.456 -0.163
226 HD3 ARG 33 2HD ARG 33 1.507 12.236 -1.699
227 HE ARG 33 HE ARG 33 -0.741 11.998 -1.247
228 HH11 ARG 33 1HH1 ARG 33 1.141 10.206 1.069
229 HH12 ARG 33 2HH1 ARG 33 -0.200 9.908 2.124
230 HH21 ARG 33 1HH2 ARG 33 -2.516 11.612 0.134
231 HH22 ARG 33 2HH2 ARG 33 -2.280 10.707 1.591
232 H VAL 34 H VAL 34 5.166 7.484 -1.878
233 HA VAL 34 HA VAL 34 7.521 8.953 -2.013
234 HB VAL 34 HB VAL 34 8.710 6.934 -1.501
235 HG11 VAL 34 1HG1 VAL 34 7.815 7.203 0.519
236 HG12 VAL 34 2HG1 VAL 34 6.249 7.651 -0.160
237 HG13 VAL 34 3HG1 VAL 34 6.652 5.951 0.084
238 HG21 VAL 34 3HG2 VAL 34 8.013 5.339 -3.041
239 HG22 VAL 34 1HG2 VAL 34 7.339 4.742 -1.524
240 HG23 VAL 34 2HG2 VAL 34 6.305 5.587 -2.676
241 H HIS 35 H HIS 35 6.184 6.612 -4.301
242 HA HIS 35 HA HIS 35 8.444 6.691 -6.053
243 HB2 HIS 35 1HB HIS 35 5.645 5.790 -6.739
244 HB3 HIS 35 2HB HIS 35 7.147 5.316 -7.527
245 HD1 HIS 35 HD1 HIS 35 8.875 4.339 -5.331
246 HD2 HIS 35 HD2 HIS 35 4.781 3.633 -5.373
247 HE1 HIS 35 HE1 HIS 35 8.524 2.331 -3.858
248 H THR 36 H THR 36 5.572 8.574 -5.651
249 HA THR 36 HA THR 36 6.048 9.939 -8.212
250 HB THR 36 HB THR 36 3.799 10.927 -7.910
251 HG1 THR 36 HG1 THR 36 2.550 9.650 -6.194
252 HG21 THR 36 3HG2 THR 36 3.681 7.928 -7.631
253 HG22 THR 36 1HG2 THR 36 4.191 8.743 -9.109
254 HG23 THR 36 2HG2 THR 36 2.556 8.979 -8.491
255 H GLY 37 H GLY 37 7.791 11.229 -7.536
256 HA2 GLY 37 1HA GLY 37 8.096 13.604 -7.069
257 HA3 GLY 37 2HA GLY 37 7.004 13.409 -5.706
258 H GLU 38 H GLU 38 9.603 11.196 -6.568
259 HA GLU 38 HA GLU 38 10.667 11.324 -3.911
260 HB2 GLU 38 1HB GLU 38 10.680 9.222 -5.142
261 HB3 GLU 38 2HB GLU 38 11.689 9.934 -6.393
262 HG2 GLU 38 1HG GLU 38 13.144 8.661 -5.084
263 HG3 GLU 38 2HG GLU 38 13.412 10.328 -4.577
264 H LYS 39 H LYS 39 12.774 11.973 -3.303
265 HA LYS 39 HA LYS 39 13.613 14.430 -4.396
266 HB2 LYS 39 1HB LYS 39 13.998 13.301 -2.028
267 HB3 LYS 39 2HB LYS 39 15.501 12.780 -2.777
268 HG2 LYS 39 1HG LYS 39 16.228 14.996 -3.099
269 HG3 LYS 39 2HG LYS 39 14.625 15.652 -2.756
270 HD2 LYS 39 1HD LYS 39 15.729 16.057 -0.770
271 HD3 LYS 39 2HD LYS 39 14.961 14.502 -0.437
272 HE2 LYS 39 1HE LYS 39 17.137 14.184 0.309
273 HE3 LYS 39 2HE LYS 39 17.166 13.484 -1.309
274 HZ1 LYS 39 3HZ LYS 39 17.807 16.121 -1.673
275 HZ2 LYS 39 1HZ LYS 39 18.881 14.814 -1.700
276 HZ3 LYS 39 2HZ LYS 39 18.646 15.686 -0.270
277 HA PRO 40 HA PRO 40 16.166 13.150 -7.753
278 HB2 PRO 40 1HB PRO 40 17.675 15.394 -7.994
279 HB3 PRO 40 2HB PRO 40 15.986 15.312 -8.509
280 HG2 PRO 40 1HG PRO 40 17.144 16.431 -5.985
281 HG3 PRO 40 2HG PRO 40 15.870 17.098 -7.024
282 HD2 PRO 40 1HD PRO 40 15.331 15.779 -4.721
283 HD3 PRO 40 2HD PRO 40 14.248 15.729 -6.126
284 H SER 41 H SER 41 17.719 11.676 -7.504
285 HA SER 41 HA SER 41 20.029 12.347 -5.799
286 HB2 SER 41 1HB SER 41 18.913 9.588 -6.356
287 HB3 SER 41 2HB SER 41 20.265 9.973 -5.292
288 HG SER 41 HG SER 41 17.600 10.890 -4.947
289 H GLY 42 H GLY 42 20.997 13.307 -7.701
290 HA2 GLY 42 1HA GLY 42 23.045 12.449 -8.907
291 HA3 GLY 42 2HA GLY 42 21.941 11.304 -9.655
292 HA PRO 43 HA PRO 43 22.256 15.467 -11.982
293 HB2 PRO 43 1HB PRO 43 23.992 14.739 -13.939
294 HB3 PRO 43 2HB PRO 43 24.513 15.465 -12.414
295 HG2 PRO 43 1HG PRO 43 24.487 12.585 -13.229
296 HG3 PRO 43 2HG PRO 43 25.742 13.492 -12.364
297 HD2 PRO 43 1HD PRO 43 23.990 11.860 -11.099
298 HD3 PRO 43 2HD PRO 43 24.644 13.327 -10.344
299 H SER 44 H SER 44 20.174 15.138 -12.710
300 HA SER 44 HA SER 44 19.605 13.036 -14.622
301 HB2 SER 44 1HB SER 44 17.945 15.125 -13.235
302 HB3 SER 44 2HB SER 44 17.293 14.213 -14.595
303 HG SER 44 HG SER 44 18.075 12.310 -13.292
304 H SER 45 H SER 45 18.238 13.706 -16.585
305 HA SER 45 HA SER 45 19.462 16.071 -17.848
306 HB2 SER 45 1HB SER 45 18.961 13.320 -18.968
307 HB3 SER 45 2HB SER 45 19.148 14.721 -20.022
308 HG SER 45 HG SER 45 21.041 14.028 -18.034
309 H GLY 46 H GLY 46 18.048 17.574 -18.431
310 HA2 GLY 46 1HA GLY 46 16.109 18.153 -19.785
311 HA3 GLY 46 2HA GLY 46 15.313 16.723 -19.144
Start of MODEL 16
1 H1 GLY 1 H GLY 1 15.215 -25.350 -5.201
2 HA2 GLY 1 1HA GLY 1 13.524 -26.302 -7.401
3 HA3 GLY 1 2HA GLY 1 13.342 -26.724 -5.705
4 H SER 2 H SER 2 12.613 -24.973 -4.245
5 HA SER 2 HA SER 2 10.661 -23.268 -5.638
6 HB2 SER 2 1HB SER 2 10.639 -24.639 -2.970
7 HB3 SER 2 2HB SER 2 9.646 -23.204 -3.224
8 HG SER 2 HG SER 2 9.534 -25.220 -5.149
9 H SER 3 H SER 3 11.687 -21.366 -5.964
10 HA SER 3 HA SER 3 13.141 -20.142 -3.734
11 HB2 SER 3 1HB SER 3 13.995 -18.558 -5.423
12 HB3 SER 3 2HB SER 3 14.323 -20.229 -5.878
13 HG SER 3 HG SER 3 13.512 -19.204 -7.669
14 H GLY 4 H GLY 4 11.491 -19.377 -2.437
15 HA2 GLY 4 1HA GLY 4 10.554 -16.847 -2.708
16 HA3 GLY 4 2HA GLY 4 9.337 -17.805 -3.539
17 H SER 5 H SER 5 9.174 -20.043 -1.979
18 HA SER 5 HA SER 5 7.759 -20.672 -0.262
19 HB2 SER 5 1HB SER 5 8.923 -20.696 1.844
20 HB3 SER 5 2HB SER 5 10.122 -20.903 0.568
21 HG SER 5 HG SER 5 10.411 -18.549 0.749
22 H SER 6 H SER 6 6.801 -18.300 -1.313
23 HA SER 6 HA SER 6 6.460 -16.088 0.208
24 HB2 SER 6 1HB SER 6 5.392 -16.419 -1.991
25 HB3 SER 6 2HB SER 6 4.236 -17.532 -1.258
26 HG SER 6 HG SER 6 4.491 -14.984 -0.144
27 H GLY 7 H GLY 7 5.349 -15.451 2.000
28 HA2 GLY 7 1HA GLY 7 4.390 -17.597 3.733
29 HA3 GLY 7 2HA GLY 7 4.739 -15.945 4.220
30 H THR 8 H THR 8 2.463 -17.146 5.113
31 HA THR 8 HA THR 8 0.197 -16.688 3.464
32 HB THR 8 HB THR 8 0.164 -18.249 5.383
33 HG1 THR 8 HG1 THR 8 -1.716 -16.112 5.580
34 HG21 THR 8 3HG2 THR 8 1.491 -16.858 6.937
35 HG22 THR 8 1HG2 THR 8 -0.022 -17.412 7.652
36 HG23 THR 8 2HG2 THR 8 0.126 -15.751 7.079
37 H GLY 9 H GLY 9 -1.343 -15.033 3.541
38 HA2 GLY 9 1HA GLY 9 -2.097 -12.977 4.716
39 HA3 GLY 9 2HA GLY 9 -0.398 -12.541 4.820
40 H GLU 10 H GLU 10 -3.015 -13.173 2.515
41 HA GLU 10 HA GLU 10 -1.597 -11.564 0.514
42 HB2 GLU 10 1HB GLU 10 -3.796 -13.596 0.365
43 HB3 GLU 10 2HB GLU 10 -3.593 -12.428 -0.934
44 HG2 GLU 10 1HG GLU 10 -2.476 -14.550 -1.406
45 HG3 GLU 10 2HG GLU 10 -1.343 -13.201 -1.333
46 H LYS 11 H LYS 11 -2.029 -9.463 0.657
47 HA LYS 11 HA LYS 11 -4.601 -8.528 1.621
48 HB2 LYS 11 1HB LYS 11 -2.087 -7.075 0.790
49 HB3 LYS 11 2HB LYS 11 -3.547 -6.260 1.334
50 HG2 LYS 11 1HG LYS 11 -3.295 -6.965 3.510
51 HG3 LYS 11 2HG LYS 11 -2.306 -8.355 3.057
52 HD2 LYS 11 1HD LYS 11 -0.408 -6.999 2.669
53 HD3 LYS 11 2HD LYS 11 -1.368 -5.518 2.704
54 HE2 LYS 11 1HE LYS 11 -0.263 -5.585 4.777
55 HE3 LYS 11 2HE LYS 11 -1.911 -6.112 5.116
56 HZ1 LYS 11 3HZ LYS 11 0.536 -7.516 5.478
57 HZ2 LYS 11 1HZ LYS 11 -0.530 -8.406 4.512
58 HZ3 LYS 11 2HZ LYS 11 -1.010 -7.894 6.051
59 HA PRO 12 HA PRO 12 -6.452 -7.810 -2.298
60 HB2 PRO 12 1HB PRO 12 -8.033 -5.683 -1.710
61 HB3 PRO 12 2HB PRO 12 -8.381 -7.322 -1.150
62 HG2 PRO 12 1HG PRO 12 -7.090 -5.054 0.317
63 HG3 PRO 12 2HG PRO 12 -8.314 -6.203 0.888
64 HD2 PRO 12 1HD PRO 12 -5.686 -6.452 1.492
65 HD3 PRO 12 2HD PRO 12 -6.756 -7.854 1.290
66 H PHE 13 H PHE 13 -4.642 -5.309 -0.707
67 HA PHE 13 HA PHE 13 -4.396 -3.856 -3.257
68 HB2 PHE 13 1HB PHE 13 -3.692 -2.720 -0.558
69 HB3 PHE 13 2HB PHE 13 -4.007 -1.856 -2.059
70 HD1 PHE 13 HD1 PHE 13 -6.464 -2.494 -3.052
71 HD2 PHE 13 HD2 PHE 13 -5.306 -2.515 1.044
72 HE1 PHE 13 HE1 PHE 13 -8.815 -2.198 -2.390
73 HE2 PHE 13 HE2 PHE 13 -7.655 -2.220 1.713
74 HZ PHE 13 HZ PHE 13 -9.413 -2.062 -0.004
75 H LYS 14 H LYS 14 -2.382 -3.359 -4.055
76 HA LYS 14 HA LYS 14 0.004 -3.996 -2.551
77 HB2 LYS 14 1HB LYS 14 -0.731 -6.181 -3.525
78 HB3 LYS 14 2HB LYS 14 -0.560 -5.475 -5.126
79 HG2 LYS 14 1HG LYS 14 1.873 -4.943 -4.227
80 HG3 LYS 14 2HG LYS 14 1.518 -6.327 -3.191
81 HD2 LYS 14 1HD LYS 14 1.248 -7.768 -5.024
82 HD3 LYS 14 2HD LYS 14 1.086 -6.429 -6.162
83 HE2 LYS 14 1HE LYS 14 3.244 -7.218 -6.546
84 HE3 LYS 14 2HE LYS 14 3.492 -5.833 -5.483
85 HZ1 LYS 14 3HZ LYS 14 4.221 -8.522 -5.068
86 HZ2 LYS 14 1HZ LYS 14 3.134 -8.057 -3.858
87 HZ3 LYS 14 2HZ LYS 14 4.556 -7.174 -4.102
88 H CYS 15 H CYS 15 1.632 -2.685 -3.116
89 HA CYS 15 HA CYS 15 1.203 -0.678 -5.100
90 HB2 CYS 15 1HB CYS 15 2.430 0.115 -3.294
91 HB3 CYS 15 2HB CYS 15 3.413 -1.342 -3.191
92 H GLY 16 H GLY 16 1.502 -0.928 -7.208
93 HA2 GLY 16 1HA GLY 16 3.234 -3.073 -8.175
94 HA3 GLY 16 2HA GLY 16 2.088 -2.149 -9.135
95 H GLU 17 H GLU 17 4.752 -1.100 -7.026
96 HA GLU 17 HA GLU 17 6.080 0.042 -9.385
97 HB2 GLU 17 1HB GLU 17 5.376 1.452 -6.818
98 HB3 GLU 17 2HB GLU 17 6.671 2.021 -7.862
99 HG2 GLU 17 1HG GLU 17 4.011 1.527 -9.080
100 HG3 GLU 17 2HG GLU 17 4.213 2.948 -8.056
101 H CYS 18 H CYS 18 6.323 -0.978 -6.017
102 HA CYS 18 HA CYS 18 9.154 -1.618 -6.494
103 HB2 CYS 18 1HB CYS 18 9.779 -0.856 -4.316
104 HB3 CYS 18 2HB CYS 18 8.869 0.445 -5.076
105 H GLY 19 H GLY 19 6.251 -2.251 -4.568
106 HA2 GLY 19 1HA GLY 19 5.622 -4.673 -4.537
107 HA3 GLY 19 2HA GLY 19 7.290 -4.973 -4.072
108 H LYS 20 H LYS 20 4.729 -2.739 -2.989
109 HA LYS 20 HA LYS 20 5.130 -3.766 -0.259
110 HB2 LYS 20 1HB LYS 20 4.986 -0.921 -1.213
111 HB3 LYS 20 2HB LYS 20 4.521 -1.339 0.431
112 HG2 LYS 20 1HG LYS 20 6.843 -2.502 0.511
113 HG3 LYS 20 2HG LYS 20 7.207 -1.457 -0.864
114 HD2 LYS 20 1HD LYS 20 6.167 0.383 0.736
115 HD3 LYS 20 2HD LYS 20 6.688 -0.757 1.979
116 HE2 LYS 20 1HE LYS 20 8.957 -0.731 0.977
117 HE3 LYS 20 2HE LYS 20 8.408 0.504 -0.154
118 HZ1 LYS 20 3HZ LYS 20 7.959 1.973 1.693
119 HZ2 LYS 20 1HZ LYS 20 9.568 1.453 1.756
120 HZ3 LYS 20 2HZ LYS 20 8.421 0.782 2.803
121 H SER 21 H SER 21 3.331 -4.672 0.465
122 HA SER 21 HA SER 21 0.757 -3.855 -0.669
123 HB2 SER 21 1HB SER 21 -0.114 -5.947 0.251
124 HB3 SER 21 2HB SER 21 1.327 -6.261 -0.715
125 HG SER 21 HG SER 21 1.847 -7.319 1.055
126 H TYR 22 H TYR 22 -1.122 -3.798 0.835
127 HA TYR 22 HA TYR 22 -0.582 -3.208 3.608
128 HB2 TYR 22 1HB TYR 22 -1.639 -1.033 1.790
129 HB3 TYR 22 2HB TYR 22 -1.493 -0.928 3.541
130 HD1 TYR 22 HD2 TYR 22 0.453 -1.232 0.402
131 HD2 TYR 22 HD1 TYR 22 0.548 -0.306 4.554
132 HE1 TYR 22 HE2 TYR 22 2.744 -0.373 0.152
133 HE2 TYR 22 HE1 TYR 22 2.839 0.557 4.315
134 HH TYR 22 HH TYR 22 4.304 1.049 1.225
135 H ASN 23 H ASN 23 -2.188 -4.100 4.704
136 HA ASN 23 HA ASN 23 -4.409 -5.320 3.741
137 HB2 ASN 23 1HB ASN 23 -3.558 -5.368 6.116
138 HB3 ASN 23 2HB ASN 23 -4.395 -3.840 6.376
139 HD21 ASN 23 1HD2 ASN 23 -4.633 -7.053 6.804
140 HD22 ASN 23 2HD2 ASN 23 -6.352 -7.230 6.838
141 H GLN 24 H GLN 24 -4.097 -1.907 4.570
142 HA GLN 24 HA GLN 24 -6.845 -1.438 3.654
143 HB2 GLN 24 1HB GLN 24 -4.962 0.435 5.097
144 HB3 GLN 24 2HB GLN 24 -6.646 0.759 4.708
145 HG2 GLN 24 1HG GLN 24 -5.759 -1.507 6.471
146 HG3 GLN 24 2HG GLN 24 -6.196 0.091 7.075
147 HE21 GLN 24 1HE2 GLN 24 -7.406 -2.591 7.465
148 HE22 GLN 24 2HE2 GLN 24 -9.066 -2.405 7.025
149 H ARG 25 H ARG 25 -7.281 0.302 2.183
150 HA ARG 25 HA ARG 25 -5.313 0.453 0.076
151 HB2 ARG 25 1HB ARG 25 -7.069 1.661 -1.163
152 HB3 ARG 25 2HB ARG 25 -7.650 0.135 -0.511
153 HG2 ARG 25 1HG ARG 25 -8.457 1.617 1.477
154 HG3 ARG 25 2HG ARG 25 -8.331 2.921 0.295
155 HD2 ARG 25 1HD ARG 25 -9.938 1.953 -1.109
156 HD3 ARG 25 2HD ARG 25 -9.808 0.383 -0.319
157 HE ARG 25 HE ARG 25 -11.391 1.071 1.166
158 HH11 ARG 25 1HH1 ARG 25 -9.927 3.884 -0.271
159 HH12 ARG 25 2HH1 ARG 25 -10.996 5.000 0.511
160 HH21 ARG 25 1HH2 ARG 25 -12.805 2.531 2.201
161 HH22 ARG 25 2HH2 ARG 25 -12.632 4.230 1.918
162 H VAL 26 H VAL 26 -6.806 2.651 2.401
163 HA VAL 26 HA VAL 26 -5.780 5.063 1.430
164 HB VAL 26 HB VAL 26 -7.501 5.040 3.134
165 HG11 VAL 26 1HG1 VAL 26 -6.073 4.556 5.515
166 HG12 VAL 26 2HG1 VAL 26 -7.396 3.610 4.829
167 HG13 VAL 26 3HG1 VAL 26 -5.725 3.213 4.428
168 HG21 VAL 26 3HG2 VAL 26 -5.459 6.796 3.013
169 HG22 VAL 26 1HG2 VAL 26 -6.838 6.970 4.099
170 HG23 VAL 26 2HG2 VAL 26 -5.328 6.279 4.695
171 H HIS 27 H HIS 27 -4.158 2.426 2.797
172 HA HIS 27 HA HIS 27 -1.906 4.024 3.744
173 HB2 HIS 27 1HB HIS 27 -2.608 1.104 3.924
174 HB3 HIS 27 2HB HIS 27 -0.986 1.678 4.300
175 HD1 HIS 27 HD1 HIS 27 -3.173 0.410 6.309
176 HD2 HIS 27 HD2 HIS 27 -2.077 4.403 5.966
177 HE1 HIS 27 HE1 HIS 27 -3.750 1.458 8.521
178 H LEU 28 H LEU 28 -2.845 1.966 1.097
179 HA LEU 28 HA LEU 28 -0.189 1.632 0.058
180 HB2 LEU 28 1HB LEU 28 -1.750 -0.070 -0.454
181 HB3 LEU 28 2HB LEU 28 -2.934 1.094 -1.043
182 HG LEU 28 HG LEU 28 -1.378 1.575 -2.950
183 HD11 LEU 28 1HD1 LEU 28 0.648 0.687 -1.778
184 HD12 LEU 28 2HD1 LEU 28 0.427 0.102 -3.427
185 HD13 LEU 28 3HD1 LEU 28 0.022 -0.937 -2.061
186 HD21 LEU 28 3HD2 LEU 28 -2.178 -1.321 -2.817
187 HD22 LEU 28 1HD2 LEU 28 -2.109 -0.269 -4.230
188 HD23 LEU 28 2HD2 LEU 28 -3.347 -0.013 -3.000
189 H THR 29 H THR 29 -3.033 3.531 -0.935
190 HA THR 29 HA THR 29 -1.909 4.824 -3.122
191 HB THR 29 HB THR 29 -4.343 4.879 -2.352
192 HG1 THR 29 HG1 THR 29 -3.078 6.366 -3.957
193 HG21 THR 29 3HG2 THR 29 -3.318 7.222 -0.745
194 HG22 THR 29 1HG2 THR 29 -3.905 5.702 -0.072
195 HG23 THR 29 2HG2 THR 29 -5.007 6.761 -0.954
196 H GLN 30 H GLN 30 -1.851 5.725 0.302
197 HA GLN 30 HA GLN 30 -0.568 8.216 -0.043
198 HB2 GLN 30 1HB GLN 30 -0.866 6.341 2.285
199 HB3 GLN 30 2HB GLN 30 0.110 7.797 2.418
200 HG2 GLN 30 1HG GLN 30 -2.715 7.934 1.451
201 HG3 GLN 30 2HG GLN 30 -2.347 7.863 3.173
202 HE21 GLN 30 1HE2 GLN 30 -3.483 9.977 3.044
203 HE22 GLN 30 2HE2 GLN 30 -2.528 11.381 2.724
204 H HIS 31 H HIS 31 0.639 4.940 0.368
205 HA HIS 31 HA HIS 31 3.353 5.616 0.789
206 HB2 HIS 31 1HB HIS 31 2.935 3.435 1.399
207 HB3 HIS 31 2HB HIS 31 1.869 3.143 0.028
208 HD1 HIS 31 HD1 HIS 31 5.551 3.413 0.848
209 HD2 HIS 31 HD2 HIS 31 3.053 1.928 -2.121
210 HE1 HIS 31 HE1 HIS 31 7.045 2.111 -0.699
211 H GLN 32 H GLN 32 1.441 5.029 -2.107
212 HA GLN 32 HA GLN 32 3.428 4.792 -4.010
213 HB2 GLN 32 1HB GLN 32 0.749 6.171 -4.232
214 HB3 GLN 32 2HB GLN 32 1.771 5.769 -5.605
215 HG2 GLN 32 1HG GLN 32 1.502 3.452 -5.252
216 HG3 GLN 32 2HG GLN 32 0.787 3.705 -3.660
217 HE21 GLN 32 1HE2 GLN 32 -0.681 2.144 -5.023
218 HE22 GLN 32 2HE2 GLN 32 -2.035 2.916 -5.766
219 H ARG 33 H ARG 33 2.675 7.485 -2.066
220 HA ARG 33 HA ARG 33 3.370 9.640 -3.683
221 HB2 ARG 33 1HB ARG 33 3.661 9.194 -0.716
222 HB3 ARG 33 2HB ARG 33 4.072 10.723 -1.482
223 HG2 ARG 33 1HG ARG 33 1.761 10.886 -2.326
224 HG3 ARG 33 2HG ARG 33 1.369 9.397 -1.462
225 HD2 ARG 33 1HD ARG 33 1.918 10.454 0.653
226 HD3 ARG 33 2HD ARG 33 2.403 11.927 -0.186
227 HE ARG 33 HE ARG 33 -0.293 11.172 -0.765
228 HH11 ARG 33 1HH1 ARG 33 1.754 12.771 1.553
229 HH12 ARG 33 2HH1 ARG 33 0.485 13.770 2.180
230 HH21 ARG 33 1HH2 ARG 33 -1.972 12.483 0.051
231 HH22 ARG 33 2HH2 ARG 33 -1.634 13.605 1.325
232 H VAL 34 H VAL 34 5.367 7.266 -2.093
233 HA VAL 34 HA VAL 34 7.828 8.685 -2.320
234 HB VAL 34 HB VAL 34 8.898 6.503 -1.867
235 HG11 VAL 34 1HG1 VAL 34 7.585 6.077 0.332
236 HG12 VAL 34 2HG1 VAL 34 8.388 7.630 0.090
237 HG13 VAL 34 3HG1 VAL 34 6.648 7.486 -0.160
238 HG21 VAL 34 3HG2 VAL 34 6.842 4.813 -1.179
239 HG22 VAL 34 1HG2 VAL 34 6.274 5.533 -2.685
240 HG23 VAL 34 2HG2 VAL 34 7.826 4.697 -2.637
241 H HIS 35 H HIS 35 5.881 6.986 -4.544
242 HA HIS 35 HA HIS 35 8.123 6.603 -6.399
243 HB2 HIS 35 1HB HIS 35 5.278 5.598 -6.611
244 HB3 HIS 35 2HB HIS 35 6.606 5.191 -7.693
245 HD1 HIS 35 HD1 HIS 35 8.734 4.670 -5.424
246 HD2 HIS 35 HD2 HIS 35 4.899 3.078 -5.571
247 HE1 HIS 35 HE1 HIS 35 8.819 2.580 -4.027
248 H THR 36 H THR 36 6.793 9.192 -5.704
249 HA THR 36 HA THR 36 6.602 10.200 -8.386
250 HB THR 36 HB THR 36 4.351 9.614 -8.413
251 HG1 THR 36 HG1 THR 36 4.034 12.116 -7.148
252 HG21 THR 36 3HG2 THR 36 2.989 10.407 -6.217
253 HG22 THR 36 1HG2 THR 36 4.539 9.980 -5.491
254 HG23 THR 36 2HG2 THR 36 3.645 8.784 -6.430
255 H GLY 37 H GLY 37 6.773 12.459 -8.498
256 HA2 GLY 37 1HA GLY 37 7.033 14.626 -7.679
257 HA3 GLY 37 2HA GLY 37 6.757 14.018 -6.053
258 H GLU 38 H GLU 38 9.124 12.620 -8.216
259 HA GLU 38 HA GLU 38 11.339 14.115 -7.193
260 HB2 GLU 38 1HB GLU 38 10.581 12.357 -5.381
261 HB3 GLU 38 2HB GLU 38 11.444 11.230 -6.418
262 HG2 GLU 38 1HG GLU 38 13.483 12.141 -5.955
263 HG3 GLU 38 2HG GLU 38 12.817 13.739 -5.621
264 H LYS 39 H LYS 39 13.465 12.772 -7.763
265 HA LYS 39 HA LYS 39 13.633 12.618 -10.515
266 HB2 LYS 39 1HB LYS 39 15.463 12.603 -8.596
267 HB3 LYS 39 2HB LYS 39 15.421 10.869 -8.887
268 HG2 LYS 39 1HG LYS 39 16.186 11.097 -11.079
269 HG3 LYS 39 2HG LYS 39 15.787 12.815 -11.135
270 HD2 LYS 39 1HD LYS 39 18.125 12.742 -10.915
271 HD3 LYS 39 2HD LYS 39 17.528 13.110 -9.295
272 HE2 LYS 39 1HE LYS 39 17.578 10.482 -9.059
273 HE3 LYS 39 2HE LYS 39 18.771 10.617 -10.350
274 HZ1 LYS 39 3HZ LYS 39 18.919 12.082 -7.772
275 HZ2 LYS 39 1HZ LYS 39 20.097 12.048 -8.985
276 HZ3 LYS 39 2HZ LYS 39 19.750 10.647 -8.106
277 HA PRO 40 HA PRO 40 11.724 8.798 -11.604
278 HB2 PRO 40 1HB PRO 40 12.887 8.440 -14.031
279 HB3 PRO 40 2HB PRO 40 11.620 9.638 -13.740
280 HG2 PRO 40 1HG PRO 40 14.587 10.014 -13.878
281 HG3 PRO 40 2HG PRO 40 13.299 11.017 -14.570
282 HD2 PRO 40 1HD PRO 40 14.575 11.667 -12.272
283 HD3 PRO 40 2HD PRO 40 12.872 12.074 -12.567
284 H SER 41 H SER 41 12.950 7.708 -9.847
285 HA SER 41 HA SER 41 14.573 6.279 -9.028
286 HB2 SER 41 1HB SER 41 14.463 4.109 -10.154
287 HB3 SER 41 2HB SER 41 12.858 4.834 -10.065
288 HG SER 41 HG SER 41 14.384 5.367 -12.334
289 H GLY 42 H GLY 42 15.831 8.368 -10.403
290 HA2 GLY 42 1HA GLY 42 17.552 7.941 -12.430
291 HA3 GLY 42 2HA GLY 42 18.031 8.814 -10.983
292 HA PRO 43 HA PRO 43 20.168 4.527 -11.529
293 HB2 PRO 43 1HB PRO 43 22.293 5.178 -13.088
294 HB3 PRO 43 2HB PRO 43 20.764 4.587 -13.748
295 HG2 PRO 43 1HG PRO 43 21.775 7.396 -13.536
296 HG3 PRO 43 2HG PRO 43 20.944 6.606 -14.887
297 HD2 PRO 43 1HD PRO 43 19.671 8.255 -13.158
298 HD3 PRO 43 2HD PRO 43 18.864 6.874 -13.930
299 H SER 44 H SER 44 22.006 3.951 -10.350
300 HA SER 44 HA SER 44 23.495 6.173 -9.116
301 HB2 SER 44 1HB SER 44 22.556 3.664 -7.702
302 HB3 SER 44 2HB SER 44 23.473 4.987 -6.980
303 HG SER 44 HG SER 44 20.825 5.057 -7.989
304 H SER 45 H SER 45 25.571 6.040 -9.609
305 HA SER 45 HA SER 45 26.820 3.949 -10.914
306 HB2 SER 45 1HB SER 45 28.946 5.028 -10.303
307 HB3 SER 45 2HB SER 45 27.751 6.221 -10.810
308 HG SER 45 HG SER 45 28.357 5.545 -8.119
309 H GLY 46 H GLY 46 26.741 1.916 -10.135
310 HA2 GLY 46 1HA GLY 46 28.266 0.513 -8.693
311 HA3 GLY 46 2HA GLY 46 27.662 1.488 -7.361
Start of MODEL 17
1 H1 GLY 1 H GLY 1 18.629 -17.540 18.622
2 HA2 GLY 1 1HA GLY 1 16.448 -18.098 16.865
3 HA3 GLY 1 2HA GLY 1 16.366 -17.971 18.616
4 H SER 2 H SER 2 14.779 -16.866 16.210
5 HA SER 2 HA SER 2 14.538 -14.152 17.310
6 HB2 SER 2 1HB SER 2 15.805 -14.172 15.117
7 HB3 SER 2 2HB SER 2 14.325 -14.756 14.355
8 HG SER 2 HG SER 2 13.485 -12.742 15.646
9 H SER 3 H SER 3 12.650 -14.409 18.373
10 HA SER 3 HA SER 3 10.399 -15.665 16.977
11 HB2 SER 3 1HB SER 3 10.909 -15.002 19.874
12 HB3 SER 3 2HB SER 3 9.307 -15.450 19.290
13 HG SER 3 HG SER 3 9.946 -17.436 19.403
14 H GLY 4 H GLY 4 8.201 -14.600 17.622
15 HA2 GLY 4 1HA GLY 4 6.907 -12.647 17.875
16 HA3 GLY 4 2HA GLY 4 8.366 -11.684 17.695
17 H SER 5 H SER 5 6.240 -13.859 15.851
18 HA SER 5 HA SER 5 7.108 -13.043 13.304
19 HB2 SER 5 1HB SER 5 5.824 -15.108 13.677
20 HB3 SER 5 2HB SER 5 4.410 -14.153 14.122
21 HG SER 5 HG SER 5 5.661 -13.729 11.642
22 H SER 6 H SER 6 6.088 -11.689 11.757
23 HA SER 6 HA SER 6 4.821 -9.354 12.975
24 HB2 SER 6 1HB SER 6 6.859 -9.188 11.444
25 HB3 SER 6 2HB SER 6 5.768 -9.596 10.119
26 HG SER 6 HG SER 6 4.955 -7.554 11.816
27 H GLY 7 H GLY 7 4.393 -11.358 10.050
28 HA2 GLY 7 1HA GLY 7 2.132 -12.333 9.747
29 HA3 GLY 7 2HA GLY 7 1.502 -10.762 10.219
30 H THR 8 H THR 8 1.943 -12.699 7.650
31 HA THR 8 HA THR 8 2.191 -10.417 5.800
32 HB THR 8 HB THR 8 3.213 -11.899 4.148
33 HG1 THR 8 HG1 THR 8 2.537 -13.922 4.596
34 HG21 THR 8 3HG2 THR 8 5.018 -10.987 5.142
35 HG22 THR 8 1HG2 THR 8 5.245 -12.598 5.822
36 HG23 THR 8 2HG2 THR 8 4.431 -11.349 6.765
37 H GLY 9 H GLY 9 -0.256 -11.317 6.899
38 HA2 GLY 9 1HA GLY 9 -1.710 -13.176 5.487
39 HA3 GLY 9 2HA GLY 9 -2.398 -11.704 6.158
40 H GLU 10 H GLU 10 -2.648 -13.335 3.535
41 HA GLU 10 HA GLU 10 -1.774 -11.899 1.354
42 HB2 GLU 10 1HB GLU 10 -3.044 -14.102 1.383
43 HB3 GLU 10 2HB GLU 10 -4.515 -13.147 1.514
44 HG2 GLU 10 1HG GLU 10 -2.560 -12.678 -0.702
45 HG3 GLU 10 2HG GLU 10 -3.773 -13.953 -0.803
46 H LYS 11 H LYS 11 -1.937 -9.787 1.015
47 HA LYS 11 HA LYS 11 -4.312 -8.346 1.930
48 HB2 LYS 11 1HB LYS 11 -1.608 -7.419 0.960
49 HB3 LYS 11 2HB LYS 11 -2.938 -6.315 1.287
50 HG2 LYS 11 1HG LYS 11 -2.911 -6.784 3.582
51 HG3 LYS 11 2HG LYS 11 -1.931 -8.235 3.360
52 HD2 LYS 11 1HD LYS 11 0.004 -6.965 2.866
53 HD3 LYS 11 2HD LYS 11 -0.930 -5.480 2.676
54 HE2 LYS 11 1HE LYS 11 -1.526 -5.625 5.088
55 HE3 LYS 11 2HE LYS 11 -0.441 -7.007 5.230
56 HZ1 LYS 11 3HZ LYS 11 1.322 -5.676 5.318
57 HZ2 LYS 11 1HZ LYS 11 0.246 -4.391 5.548
58 HZ3 LYS 11 2HZ LYS 11 0.813 -4.751 3.996
59 HA PRO 12 HA PRO 12 -6.047 -8.129 -2.113
60 HB2 PRO 12 1HB PRO 12 -7.636 -5.955 -1.766
61 HB3 PRO 12 2HB PRO 12 -8.008 -7.538 -1.073
62 HG2 PRO 12 1HG PRO 12 -6.753 -5.150 0.225
63 HG3 PRO 12 2HG PRO 12 -7.998 -6.242 0.858
64 HD2 PRO 12 1HD PRO 12 -5.391 -6.440 1.563
65 HD3 PRO 12 2HD PRO 12 -6.461 -7.853 1.454
66 H PHE 13 H PHE 13 -4.455 -5.357 -0.670
67 HA PHE 13 HA PHE 13 -4.168 -4.085 -3.291
68 HB2 PHE 13 1HB PHE 13 -3.151 -2.943 -0.702
69 HB3 PHE 13 2HB PHE 13 -3.624 -2.095 -2.170
70 HD1 PHE 13 HD1 PHE 13 -6.203 -2.690 -2.841
71 HD2 PHE 13 HD2 PHE 13 -4.546 -2.647 1.080
72 HE1 PHE 13 HE1 PHE 13 -8.445 -2.312 -1.901
73 HE2 PHE 13 HE2 PHE 13 -6.785 -2.270 2.026
74 HZ PHE 13 HZ PHE 13 -8.739 -2.103 0.536
75 H LYS 14 H LYS 14 -2.124 -3.475 -4.111
76 HA LYS 14 HA LYS 14 0.281 -4.428 -2.825
77 HB2 LYS 14 1HB LYS 14 -0.773 -6.401 -4.090
78 HB3 LYS 14 2HB LYS 14 -0.340 -5.533 -5.557
79 HG2 LYS 14 1HG LYS 14 2.029 -5.503 -4.699
80 HG3 LYS 14 2HG LYS 14 1.498 -6.630 -3.449
81 HD2 LYS 14 1HD LYS 14 0.542 -7.955 -5.510
82 HD3 LYS 14 2HD LYS 14 1.764 -7.037 -6.391
83 HE2 LYS 14 1HE LYS 14 2.926 -8.945 -5.808
84 HE3 LYS 14 2HE LYS 14 3.353 -7.844 -4.499
85 HZ1 LYS 14 3HZ LYS 14 2.796 -9.845 -3.462
86 HZ2 LYS 14 1HZ LYS 14 1.441 -10.099 -4.442
87 HZ3 LYS 14 2HZ LYS 14 1.418 -8.884 -3.265
88 H CYS 15 H CYS 15 1.879 -3.053 -3.249
89 HA CYS 15 HA CYS 15 1.489 -0.956 -5.185
90 HB2 CYS 15 1HB CYS 15 2.506 -0.537 -2.958
91 HB3 CYS 15 2HB CYS 15 3.886 -1.525 -3.429
92 H GLY 16 H GLY 16 1.771 -1.479 -7.269
93 HA2 GLY 16 1HA GLY 16 3.581 -3.483 -8.170
94 HA3 GLY 16 2HA GLY 16 2.715 -2.338 -9.183
95 H GLU 17 H GLU 17 3.947 -0.131 -7.465
96 HA GLU 17 HA GLU 17 6.061 0.513 -9.198
97 HB2 GLU 17 1HB GLU 17 5.287 1.589 -6.489
98 HB3 GLU 17 2HB GLU 17 6.605 2.260 -7.438
99 HG2 GLU 17 1HG GLU 17 3.703 2.145 -8.221
100 HG3 GLU 17 2HG GLU 17 4.619 3.576 -7.754
101 H CYS 18 H CYS 18 6.125 -0.596 -5.814
102 HA CYS 18 HA CYS 18 8.944 -1.358 -6.213
103 HB2 CYS 18 1HB CYS 18 9.259 -1.092 -3.812
104 HB3 CYS 18 2HB CYS 18 8.611 0.392 -4.502
105 H GLY 19 H GLY 19 5.890 -2.313 -4.681
106 HA2 GLY 19 1HA GLY 19 5.274 -4.693 -5.154
107 HA3 GLY 19 2HA GLY 19 6.903 -5.089 -4.626
108 H LYS 20 H LYS 20 5.402 -2.553 -2.905
109 HA LYS 20 HA LYS 20 5.148 -4.294 -0.573
110 HB2 LYS 20 1HB LYS 20 5.447 -1.349 -0.985
111 HB3 LYS 20 2HB LYS 20 4.710 -1.926 0.504
112 HG2 LYS 20 1HG LYS 20 6.722 -3.308 0.912
113 HG3 LYS 20 2HG LYS 20 7.460 -2.592 -0.522
114 HD2 LYS 20 1HD LYS 20 6.371 -0.760 1.551
115 HD3 LYS 20 2HD LYS 20 7.876 -1.611 1.905
116 HE2 LYS 20 1HE LYS 20 7.379 0.048 -0.564
117 HE3 LYS 20 2HE LYS 20 8.210 0.626 0.879
118 HZ1 LYS 20 3HZ LYS 20 9.213 -1.842 -0.294
119 HZ2 LYS 20 1HZ LYS 20 10.058 -0.549 0.398
120 HZ3 LYS 20 2HZ LYS 20 9.478 -0.429 -1.186
121 H SER 21 H SER 21 3.245 -4.998 0.124
122 HA SER 21 HA SER 21 0.812 -3.811 -1.000
123 HB2 SER 21 1HB SER 21 -0.226 -5.941 0.052
124 HB3 SER 21 2HB SER 21 0.777 -6.124 -1.386
125 HG SER 21 HG SER 21 2.057 -6.254 1.082
126 H TYR 22 H TYR 22 -1.129 -3.867 0.515
127 HA TYR 22 HA TYR 22 -0.473 -3.378 3.309
128 HB2 TYR 22 1HB TYR 22 -1.727 -1.287 1.522
129 HB3 TYR 22 2HB TYR 22 -1.710 -1.199 3.280
130 HD1 TYR 22 HD2 TYR 22 0.510 -1.349 0.304
131 HD2 TYR 22 HD1 TYR 22 0.140 -0.305 4.412
132 HE1 TYR 22 HE2 TYR 22 2.717 -0.265 0.222
133 HE2 TYR 22 HE1 TYR 22 2.344 0.783 4.341
134 HH TYR 22 HH TYR 22 4.367 0.763 3.053
135 H ASN 23 H ASN 23 -2.414 -3.150 4.660
136 HA ASN 23 HA ASN 23 -4.499 -4.936 3.714
137 HB2 ASN 23 1HB ASN 23 -3.837 -5.501 5.883
138 HB3 ASN 23 2HB ASN 23 -3.730 -3.818 6.392
139 HD21 ASN 23 1HD2 ASN 23 -5.397 -2.953 7.431
140 HD22 ASN 23 2HD2 ASN 23 -6.953 -3.683 7.607
141 H GLN 24 H GLN 24 -3.975 -1.587 4.041
142 HA GLN 24 HA GLN 24 -6.850 -1.086 3.641
143 HB2 GLN 24 1HB GLN 24 -4.860 0.335 5.361
144 HB3 GLN 24 2HB GLN 24 -6.171 1.257 4.637
145 HG2 GLN 24 1HG GLN 24 -7.701 -0.553 5.648
146 HG3 GLN 24 2HG GLN 24 -6.306 -0.947 6.650
147 HE21 GLN 24 1HE2 GLN 24 -7.101 -0.277 8.577
148 HE22 GLN 24 2HE2 GLN 24 -7.488 1.367 8.943
149 H ARG 25 H ARG 25 -7.400 0.665 2.254
150 HA ARG 25 HA ARG 25 -5.669 0.900 -0.002
151 HB2 ARG 25 1HB ARG 25 -8.213 2.408 0.627
152 HB3 ARG 25 2HB ARG 25 -7.425 2.323 -0.943
153 HG2 ARG 25 1HG ARG 25 -7.869 -0.046 -1.082
154 HG3 ARG 25 2HG ARG 25 -8.559 -0.037 0.543
155 HD2 ARG 25 1HD ARG 25 -10.465 0.087 -0.722
156 HD3 ARG 25 2HD ARG 25 -10.128 1.801 -0.478
157 HE ARG 25 HE ARG 25 -9.942 0.319 -2.957
158 HH11 ARG 25 1HH1 ARG 25 -9.102 3.217 -1.219
159 HH12 ARG 25 2HH1 ARG 25 -8.830 4.153 -2.651
160 HH21 ARG 25 1HH2 ARG 25 -9.586 1.542 -4.850
161 HH22 ARG 25 2HH2 ARG 25 -9.106 3.200 -4.716
162 H VAL 26 H VAL 26 -6.896 3.256 2.373
163 HA VAL 26 HA VAL 26 -5.597 5.518 1.476
164 HB VAL 26 HB VAL 26 -7.178 5.759 3.231
165 HG11 VAL 26 1HG1 VAL 26 -5.572 4.526 5.365
166 HG12 VAL 26 2HG1 VAL 26 -7.315 4.498 5.092
167 HG13 VAL 26 3HG1 VAL 26 -6.263 3.403 4.195
168 HG21 VAL 26 3HG2 VAL 26 -4.472 6.331 4.435
169 HG22 VAL 26 1HG2 VAL 26 -5.273 7.343 3.233
170 HG23 VAL 26 2HG2 VAL 26 -5.996 7.127 4.827
171 H HIS 27 H HIS 27 -4.259 2.720 2.974
172 HA HIS 27 HA HIS 27 -1.798 4.017 3.770
173 HB2 HIS 27 1HB HIS 27 -2.938 1.275 3.977
174 HB3 HIS 27 2HB HIS 27 -1.183 1.428 4.002
175 HD1 HIS 27 HD1 HIS 27 -1.080 0.693 6.477
176 HD2 HIS 27 HD2 HIS 27 -3.298 4.145 5.822
177 HE1 HIS 27 HE1 HIS 27 -1.446 1.699 8.752
178 H LEU 28 H LEU 28 -3.038 2.268 1.040
179 HA LEU 28 HA LEU 28 -0.456 1.717 -0.108
180 HB2 LEU 28 1HB LEU 28 -2.315 0.236 -0.559
181 HB3 LEU 28 2HB LEU 28 -3.238 1.565 -1.258
182 HG LEU 28 HG LEU 28 -1.606 1.701 -3.098
183 HD11 LEU 28 1HD1 LEU 28 -0.391 -0.722 -1.779
184 HD12 LEU 28 2HD1 LEU 28 0.359 0.863 -1.965
185 HD13 LEU 28 3HD1 LEU 28 0.019 -0.122 -3.387
186 HD21 LEU 28 3HD2 LEU 28 -3.617 -0.142 -2.731
187 HD22 LEU 28 1HD2 LEU 28 -2.258 -1.130 -3.266
188 HD23 LEU 28 2HD2 LEU 28 -2.809 0.221 -4.257
189 H THR 29 H THR 29 -3.182 3.810 -1.066
190 HA THR 29 HA THR 29 -1.934 5.141 -3.152
191 HB THR 29 HB THR 29 -4.378 5.290 -2.486
192 HG1 THR 29 HG1 THR 29 -4.462 7.548 -3.219
193 HG21 THR 29 3HG2 THR 29 -3.959 5.930 -0.124
194 HG22 THR 29 1HG2 THR 29 -5.042 7.043 -0.960
195 HG23 THR 29 2HG2 THR 29 -3.359 7.490 -0.686
196 H GLN 30 H GLN 30 -2.050 6.034 0.288
197 HA GLN 30 HA GLN 30 -0.550 8.410 0.030
198 HB2 GLN 30 1HB GLN 30 -1.114 6.587 2.360
199 HB3 GLN 30 2HB GLN 30 -0.127 8.033 2.528
200 HG2 GLN 30 1HG GLN 30 -2.896 8.134 1.387
201 HG3 GLN 30 2HG GLN 30 -2.596 8.202 3.122
202 HE21 GLN 30 1HE2 GLN 30 -2.506 10.164 3.920
203 HE22 GLN 30 2HE2 GLN 30 -2.000 11.588 3.083
204 H HIS 31 H HIS 31 0.357 5.056 0.391
205 HA HIS 31 HA HIS 31 3.087 5.541 1.064
206 HB2 HIS 31 1HB HIS 31 2.400 3.417 1.695
207 HB3 HIS 31 2HB HIS 31 1.500 3.152 0.205
208 HD1 HIS 31 HD1 HIS 31 5.094 3.329 1.408
209 HD2 HIS 31 HD2 HIS 31 2.831 1.695 -1.670
210 HE1 HIS 31 HE1 HIS 31 6.677 1.865 0.113
211 H GLN 32 H GLN 32 1.325 5.024 -1.939
212 HA GLN 32 HA GLN 32 3.488 4.648 -3.663
213 HB2 GLN 32 1HB GLN 32 0.764 5.859 -4.113
214 HB3 GLN 32 2HB GLN 32 1.915 5.605 -5.417
215 HG2 GLN 32 1HG GLN 32 1.944 3.196 -4.870
216 HG3 GLN 32 2HG GLN 32 0.702 3.491 -3.654
217 HE21 GLN 32 1HE2 GLN 32 -0.520 1.926 -4.901
218 HE22 GLN 32 2HE2 GLN 32 -1.406 2.457 -6.285
219 H ARG 33 H ARG 33 2.443 7.451 -1.994
220 HA ARG 33 HA ARG 33 3.248 9.520 -3.650
221 HB2 ARG 33 1HB ARG 33 3.262 9.233 -0.653
222 HB3 ARG 33 2HB ARG 33 3.768 10.722 -1.440
223 HG2 ARG 33 1HG ARG 33 1.513 10.698 -2.603
224 HG3 ARG 33 2HG ARG 33 1.058 9.436 -1.458
225 HD2 ARG 33 1HD ARG 33 1.961 12.236 -0.799
226 HD3 ARG 33 2HD ARG 33 0.329 11.589 -0.636
227 HE ARG 33 HE ARG 33 1.790 9.939 0.921
228 HH11 ARG 33 1HH1 ARG 33 1.516 13.404 0.730
229 HH12 ARG 33 2HH1 ARG 33 1.851 13.654 2.411
230 HH21 ARG 33 1HH2 ARG 33 2.232 10.255 3.137
231 HH22 ARG 33 2HH2 ARG 33 2.259 11.863 3.779
232 H VAL 34 H VAL 34 5.147 7.100 -2.208
233 HA VAL 34 HA VAL 34 7.600 8.603 -2.078
234 HB VAL 34 HB VAL 34 8.657 6.613 -1.385
235 HG11 VAL 34 1HG1 VAL 34 7.482 7.098 0.484
236 HG12 VAL 34 2HG1 VAL 34 5.930 7.088 -0.356
237 HG13 VAL 34 3HG1 VAL 34 6.690 5.567 0.113
238 HG21 VAL 34 3HG2 VAL 34 7.706 4.387 -1.654
239 HG22 VAL 34 1HG2 VAL 34 6.289 5.075 -2.447
240 HG23 VAL 34 2HG2 VAL 34 7.871 5.184 -3.219
241 H HIS 35 H HIS 35 5.939 6.652 -4.425
242 HA HIS 35 HA HIS 35 8.290 6.657 -6.180
243 HB2 HIS 35 1HB HIS 35 5.686 5.255 -6.746
244 HB3 HIS 35 2HB HIS 35 7.281 4.911 -7.409
245 HD1 HIS 35 HD1 HIS 35 9.061 4.107 -5.403
246 HD2 HIS 35 HD2 HIS 35 4.992 3.531 -4.792
247 HE1 HIS 35 HE1 HIS 35 8.892 2.350 -3.611
248 H THR 36 H THR 36 5.176 8.073 -5.744
249 HA THR 36 HA THR 36 4.586 8.864 -8.367
250 HB THR 36 HB THR 36 3.120 10.543 -7.401
251 HG1 THR 36 HG1 THR 36 3.287 11.174 -5.308
252 HG21 THR 36 3HG2 THR 36 1.680 8.945 -6.812
253 HG22 THR 36 1HG2 THR 36 2.585 8.602 -5.337
254 HG23 THR 36 2HG2 THR 36 3.021 7.800 -6.846
255 H GLY 37 H GLY 37 5.456 10.333 -9.683
256 HA2 GLY 37 1HA GLY 37 6.920 11.930 -10.458
257 HA3 GLY 37 2HA GLY 37 6.370 12.854 -9.068
258 H GLU 38 H GLU 38 8.417 9.962 -9.479
259 HA GLU 38 HA GLU 38 10.526 11.374 -7.986
260 HB2 GLU 38 1HB GLU 38 9.226 9.524 -6.731
261 HB3 GLU 38 2HB GLU 38 10.102 8.407 -7.767
262 HG2 GLU 38 1HG GLU 38 11.205 8.651 -5.624
263 HG3 GLU 38 2HG GLU 38 12.219 9.268 -6.927
264 H LYS 39 H LYS 39 11.449 11.916 -10.032
265 HA LYS 39 HA LYS 39 12.073 10.351 -12.154
266 HB2 LYS 39 1HB LYS 39 13.652 12.520 -10.800
267 HB3 LYS 39 2HB LYS 39 14.280 11.711 -12.230
268 HG2 LYS 39 1HG LYS 39 12.061 12.330 -13.335
269 HG3 LYS 39 2HG LYS 39 11.839 13.429 -11.972
270 HD2 LYS 39 1HD LYS 39 14.282 14.182 -12.622
271 HD3 LYS 39 2HD LYS 39 13.822 13.525 -14.194
272 HE2 LYS 39 1HE LYS 39 13.322 15.880 -14.142
273 HE3 LYS 39 2HE LYS 39 11.813 14.970 -14.162
274 HZ1 LYS 39 3HZ LYS 39 12.036 16.914 -12.538
275 HZ2 LYS 39 1HZ LYS 39 13.000 15.873 -11.616
276 HZ3 LYS 39 2HZ LYS 39 11.394 15.463 -11.951
277 HA PRO 40 HA PRO 40 14.695 7.083 -10.817
278 HB2 PRO 40 1HB PRO 40 16.012 6.577 -13.136
279 HB3 PRO 40 2HB PRO 40 14.321 6.134 -12.876
280 HG2 PRO 40 1HG PRO 40 15.459 8.497 -14.318
281 HG3 PRO 40 2HG PRO 40 14.107 7.448 -14.782
282 HD2 PRO 40 1HD PRO 40 13.742 9.883 -13.655
283 HD3 PRO 40 2HD PRO 40 12.625 8.529 -13.386
284 H SER 41 H SER 41 16.963 6.469 -10.593
285 HA SER 41 HA SER 41 18.604 8.756 -9.999
286 HB2 SER 41 1HB SER 41 18.927 5.785 -9.646
287 HB3 SER 41 2HB SER 41 20.278 6.883 -9.367
288 HG SER 41 HG SER 41 17.854 7.529 -8.165
289 H GLY 42 H GLY 42 18.892 5.948 -12.174
290 HA2 GLY 42 1HA GLY 42 20.308 7.571 -14.108
291 HA3 GLY 42 2HA GLY 42 21.288 6.320 -13.357
292 HA PRO 43 HA PRO 43 19.831 3.319 -16.192
293 HB2 PRO 43 1HB PRO 43 19.494 1.114 -14.645
294 HB3 PRO 43 2HB PRO 43 21.085 1.757 -15.067
295 HG2 PRO 43 1HG PRO 43 19.506 2.111 -12.548
296 HG3 PRO 43 2HG PRO 43 21.238 1.787 -12.746
297 HD2 PRO 43 1HD PRO 43 20.268 4.262 -12.227
298 HD3 PRO 43 2HD PRO 43 21.726 3.993 -13.205
299 H SER 44 H SER 44 17.825 4.097 -16.854
300 HA SER 44 HA SER 44 15.522 2.785 -15.588
301 HB2 SER 44 1HB SER 44 14.171 4.825 -15.935
302 HB3 SER 44 2HB SER 44 15.516 5.112 -14.832
303 HG SER 44 HG SER 44 16.617 5.782 -16.931
304 H SER 45 H SER 45 15.510 1.244 -17.237
305 HA SER 45 HA SER 45 15.253 2.136 -19.994
306 HB2 SER 45 1HB SER 45 15.174 -0.330 -20.481
307 HB3 SER 45 2HB SER 45 16.639 0.197 -19.653
308 HG SER 45 HG SER 45 15.873 -1.637 -18.635
309 H GLY 46 H GLY 46 13.398 2.254 -21.112
310 HA2 GLY 46 1HA GLY 46 11.013 0.890 -20.112
311 HA3 GLY 46 2HA GLY 46 10.950 2.644 -20.204
Start of MODEL 18
1 H1 GLY 1 H GLY 1 21.392 -6.659 -2.446
2 HA2 GLY 1 1HA GLY 1 20.637 -9.168 -3.794
3 HA3 GLY 1 2HA GLY 1 21.055 -9.178 -2.087
4 H SER 2 H SER 2 19.195 -9.606 -1.069
5 HA SER 2 HA SER 2 17.015 -7.686 -1.376
6 HB2 SER 2 1HB SER 2 15.316 -9.360 -1.623
7 HB3 SER 2 2HB SER 2 16.544 -9.685 -2.847
8 HG SER 2 HG SER 2 16.490 -10.959 -0.316
9 H SER 3 H SER 3 15.579 -7.607 0.429
10 HA SER 3 HA SER 3 16.895 -8.388 2.909
11 HB2 SER 3 1HB SER 3 14.580 -6.546 2.299
12 HB3 SER 3 2HB SER 3 15.066 -6.954 3.944
13 HG SER 3 HG SER 3 17.066 -6.022 3.551
14 H GLY 4 H GLY 4 16.191 -9.935 4.257
15 HA2 GLY 4 1HA GLY 4 14.293 -11.837 3.390
16 HA3 GLY 4 2HA GLY 4 15.007 -11.759 4.994
17 H SER 5 H SER 5 12.164 -11.634 3.336
18 HA SER 5 HA SER 5 10.722 -10.725 5.659
19 HB2 SER 5 1HB SER 5 9.577 -8.879 4.662
20 HB3 SER 5 2HB SER 5 11.297 -8.616 4.373
21 HG SER 5 HG SER 5 9.867 -8.308 2.518
22 H SER 6 H SER 6 8.837 -11.777 5.834
23 HA SER 6 HA SER 6 7.363 -12.669 3.524
24 HB2 SER 6 1HB SER 6 8.930 -14.485 3.587
25 HB3 SER 6 2HB SER 6 8.749 -14.657 5.332
26 HG SER 6 HG SER 6 7.205 -15.999 4.900
27 H GLY 7 H GLY 7 5.251 -12.661 3.974
28 HA2 GLY 7 1HA GLY 7 4.244 -13.395 6.575
29 HA3 GLY 7 2HA GLY 7 4.113 -11.676 6.234
30 H THR 8 H THR 8 2.748 -14.758 5.765
31 HA THR 8 HA THR 8 1.304 -14.524 3.425
32 HB THR 8 HB THR 8 -0.453 -15.954 4.614
33 HG1 THR 8 HG1 THR 8 1.450 -16.301 6.649
34 HG21 THR 8 3HG2 THR 8 0.999 -17.231 3.376
35 HG22 THR 8 1HG2 THR 8 1.370 -17.826 4.994
36 HG23 THR 8 2HG2 THR 8 2.423 -16.636 4.229
37 H GLY 9 H GLY 9 -0.902 -13.941 3.002
38 HA2 GLY 9 1HA GLY 9 -2.768 -12.779 4.572
39 HA3 GLY 9 2HA GLY 9 -1.631 -11.465 4.307
40 H GLU 10 H GLU 10 -0.895 -11.927 1.677
41 HA GLU 10 HA GLU 10 -1.531 -11.345 -0.430
42 HB2 GLU 10 1HB GLU 10 -3.819 -13.144 0.365
43 HB3 GLU 10 2HB GLU 10 -3.649 -12.479 -1.254
44 HG2 GLU 10 1HG GLU 10 -1.579 -14.185 0.107
45 HG3 GLU 10 2HG GLU 10 -2.797 -14.791 -1.014
46 H LYS 11 H LYS 11 -2.019 -9.371 1.399
47 HA LYS 11 HA LYS 11 -4.420 -8.264 1.830
48 HB2 LYS 11 1HB LYS 11 -2.004 -6.823 0.721
49 HB3 LYS 11 2HB LYS 11 -3.389 -6.026 1.456
50 HG2 LYS 11 1HG LYS 11 -2.837 -6.711 3.573
51 HG3 LYS 11 2HG LYS 11 -1.949 -8.125 3.001
52 HD2 LYS 11 1HD LYS 11 -0.076 -6.842 2.401
53 HD3 LYS 11 2HD LYS 11 -0.987 -5.330 2.460
54 HE2 LYS 11 1HE LYS 11 0.144 -5.190 4.441
55 HE3 LYS 11 2HE LYS 11 -1.313 -6.021 4.981
56 HZ1 LYS 11 3HZ LYS 11 0.813 -7.001 5.788
57 HZ2 LYS 11 1HZ LYS 11 1.173 -7.432 4.192
58 HZ3 LYS 11 2HZ LYS 11 -0.182 -8.090 4.960
59 HA PRO 12 HA PRO 12 -6.580 -7.581 -1.932
60 HB2 PRO 12 1HB PRO 12 -7.980 -5.336 -1.324
61 HB3 PRO 12 2HB PRO 12 -8.365 -6.922 -0.645
62 HG2 PRO 12 1HG PRO 12 -6.822 -4.663 0.572
63 HG3 PRO 12 2HG PRO 12 -8.049 -5.708 1.313
64 HD2 PRO 12 1HD PRO 12 -5.394 -6.082 1.694
65 HD3 PRO 12 2HD PRO 12 -6.554 -7.426 1.666
66 H PHE 13 H PHE 13 -4.309 -5.317 -0.744
67 HA PHE 13 HA PHE 13 -4.214 -4.017 -3.385
68 HB2 PHE 13 1HB PHE 13 -3.460 -2.619 -0.822
69 HB3 PHE 13 2HB PHE 13 -3.729 -1.909 -2.410
70 HD1 PHE 13 HD1 PHE 13 -6.190 -2.497 -3.368
71 HD2 PHE 13 HD2 PHE 13 -5.087 -2.243 0.736
72 HE1 PHE 13 HE1 PHE 13 -8.533 -2.043 -2.769
73 HE2 PHE 13 HE2 PHE 13 -7.429 -1.790 1.341
74 HZ PHE 13 HZ PHE 13 -9.155 -1.690 -0.413
75 H LYS 14 H LYS 14 -2.178 -3.557 -4.217
76 HA LYS 14 HA LYS 14 0.199 -4.168 -2.689
77 HB2 LYS 14 1HB LYS 14 -0.607 -6.386 -3.536
78 HB3 LYS 14 2HB LYS 14 -0.402 -5.779 -5.174
79 HG2 LYS 14 1HG LYS 14 2.031 -5.303 -4.433
80 HG3 LYS 14 2HG LYS 14 1.674 -6.440 -3.131
81 HD2 LYS 14 1HD LYS 14 1.164 -8.176 -4.704
82 HD3 LYS 14 2HD LYS 14 1.274 -7.048 -6.057
83 HE2 LYS 14 1HE LYS 14 3.698 -6.669 -5.192
84 HE3 LYS 14 2HE LYS 14 3.455 -8.211 -4.372
85 HZ1 LYS 14 3HZ LYS 14 3.701 -7.642 -7.224
86 HZ2 LYS 14 1HZ LYS 14 2.644 -8.885 -6.776
87 HZ3 LYS 14 2HZ LYS 14 4.274 -8.959 -6.331
88 H CYS 15 H CYS 15 1.685 -2.721 -3.232
89 HA CYS 15 HA CYS 15 1.334 -0.995 -5.479
90 HB2 CYS 15 1HB CYS 15 2.324 0.083 -3.671
91 HB3 CYS 15 2HB CYS 15 3.389 -1.273 -3.316
92 H GLY 16 H GLY 16 2.447 -0.894 -7.390
93 HA2 GLY 16 1HA GLY 16 3.935 -3.321 -8.101
94 HA3 GLY 16 2HA GLY 16 3.203 -2.194 -9.233
95 H GLU 17 H GLU 17 4.368 0.092 -7.658
96 HA GLU 17 HA GLU 17 6.590 0.611 -9.216
97 HB2 GLU 17 1HB GLU 17 5.874 1.661 -6.477
98 HB3 GLU 17 2HB GLU 17 7.180 2.312 -7.456
99 HG2 GLU 17 1HG GLU 17 4.283 2.229 -8.266
100 HG3 GLU 17 2HG GLU 17 5.122 3.636 -7.613
101 H CYS 18 H CYS 18 6.633 -0.351 -5.779
102 HA CYS 18 HA CYS 18 9.352 -1.400 -6.206
103 HB2 CYS 18 1HB CYS 18 9.768 -1.028 -3.846
104 HB3 CYS 18 2HB CYS 18 9.183 0.463 -4.577
105 H GLY 19 H GLY 19 6.265 -2.014 -4.570
106 HA2 GLY 19 1HA GLY 19 5.419 -4.337 -4.885
107 HA3 GLY 19 2HA GLY 19 7.030 -4.866 -4.424
108 H LYS 20 H LYS 20 4.941 -2.366 -3.009
109 HA LYS 20 HA LYS 20 5.127 -3.809 -0.448
110 HB2 LYS 20 1HB LYS 20 5.119 -0.908 -1.152
111 HB3 LYS 20 2HB LYS 20 4.424 -1.395 0.389
112 HG2 LYS 20 1HG LYS 20 6.679 -2.695 0.651
113 HG3 LYS 20 2HG LYS 20 7.247 -1.529 -0.547
114 HD2 LYS 20 1HD LYS 20 6.239 0.256 0.989
115 HD3 LYS 20 2HD LYS 20 6.170 -1.016 2.211
116 HE2 LYS 20 1HE LYS 20 8.686 -1.357 1.511
117 HE3 LYS 20 2HE LYS 20 8.532 0.315 0.975
118 HZ1 LYS 20 3HZ LYS 20 9.072 0.760 3.090
119 HZ2 LYS 20 1HZ LYS 20 8.607 -0.764 3.659
120 HZ3 LYS 20 2HZ LYS 20 7.443 0.438 3.413
121 H SER 21 H SER 21 3.321 -4.620 0.381
122 HA SER 21 HA SER 21 0.755 -3.786 -0.781
123 HB2 SER 21 1HB SER 21 -0.097 -5.939 0.202
124 HB3 SER 21 2HB SER 21 1.151 -6.148 -1.026
125 HG SER 21 HG SER 21 2.171 -7.235 0.444
126 H TYR 22 H TYR 22 -1.074 -3.475 0.589
127 HA TYR 22 HA TYR 22 -0.506 -3.056 3.431
128 HB2 TYR 22 1HB TYR 22 -1.718 -0.979 1.596
129 HB3 TYR 22 2HB TYR 22 -1.677 -0.859 3.352
130 HD1 TYR 22 HD2 TYR 22 0.567 -1.231 0.399
131 HD2 TYR 22 HD1 TYR 22 0.135 0.158 4.398
132 HE1 TYR 22 HE2 TYR 22 2.789 -0.185 0.269
133 HE2 TYR 22 HE1 TYR 22 2.355 1.210 4.278
134 HH TYR 22 HH TYR 22 4.627 0.491 2.299
135 H ASN 23 H ASN 23 -2.071 -3.834 4.686
136 HA ASN 23 HA ASN 23 -4.249 -5.256 3.718
137 HB2 ASN 23 1HB ASN 23 -3.159 -5.287 6.061
138 HB3 ASN 23 2HB ASN 23 -4.269 -3.974 6.440
139 HD21 ASN 23 1HD2 ASN 23 -5.956 -4.674 7.512
140 HD22 ASN 23 2HD2 ASN 23 -6.789 -6.165 7.250
141 H GLN 24 H GLN 24 -3.879 -1.875 4.188
142 HA GLN 24 HA GLN 24 -6.769 -1.478 3.774
143 HB2 GLN 24 1HB GLN 24 -4.719 0.193 5.208
144 HB3 GLN 24 2HB GLN 24 -6.236 0.885 4.647
145 HG2 GLN 24 1HG GLN 24 -6.110 -1.520 6.439
146 HG3 GLN 24 2HG GLN 24 -6.163 0.133 7.050
147 HE21 GLN 24 1HE2 GLN 24 -7.931 -2.446 5.622
148 HE22 GLN 24 2HE2 GLN 24 -9.489 -1.702 5.680
149 H ARG 25 H ARG 25 -7.397 0.309 2.399
150 HA ARG 25 HA ARG 25 -5.732 0.454 0.047
151 HB2 ARG 25 1HB ARG 25 -8.367 0.316 0.277
152 HB3 ARG 25 2HB ARG 25 -8.225 2.068 0.331
153 HG2 ARG 25 1HG ARG 25 -6.820 0.609 -1.842
154 HG3 ARG 25 2HG ARG 25 -8.574 0.781 -1.935
155 HD2 ARG 25 1HD ARG 25 -6.673 3.080 -1.513
156 HD3 ARG 25 2HD ARG 25 -7.284 2.584 -3.091
157 HE ARG 25 HE ARG 25 -9.550 2.950 -1.711
158 HH11 ARG 25 1HH1 ARG 25 -6.704 4.925 -2.064
159 HH12 ARG 25 2HH1 ARG 25 -7.560 6.420 -1.875
160 HH21 ARG 25 1HH2 ARG 25 -10.687 4.912 -1.462
161 HH22 ARG 25 2HH2 ARG 25 -9.825 6.411 -1.532
162 H VAL 26 H VAL 26 -7.095 2.787 2.362
163 HA VAL 26 HA VAL 26 -5.960 5.097 1.275
164 HB VAL 26 HB VAL 26 -7.674 5.326 2.922
165 HG11 VAL 26 1HG1 VAL 26 -7.630 3.546 4.355
166 HG12 VAL 26 2HG1 VAL 26 -5.878 3.610 4.558
167 HG13 VAL 26 3HG1 VAL 26 -6.907 4.779 5.387
168 HG21 VAL 26 3HG2 VAL 26 -5.345 6.306 4.492
169 HG22 VAL 26 1HG2 VAL 26 -5.567 6.913 2.851
170 HG23 VAL 26 2HG2 VAL 26 -6.840 7.132 4.052
171 H HIS 27 H HIS 27 -4.487 2.493 2.905
172 HA HIS 27 HA HIS 27 -2.209 4.007 3.857
173 HB2 HIS 27 1HB HIS 27 -3.087 1.159 3.989
174 HB3 HIS 27 2HB HIS 27 -1.372 1.507 4.179
175 HD1 HIS 27 HD1 HIS 27 -2.402 0.354 6.603
176 HD2 HIS 27 HD2 HIS 27 -2.955 4.397 5.823
177 HE1 HIS 27 HE1 HIS 27 -2.845 1.415 8.840
178 H LEU 28 H LEU 28 -3.104 2.119 1.078
179 HA LEU 28 HA LEU 28 -0.444 1.733 0.097
180 HB2 LEU 28 1HB LEU 28 -2.085 0.183 -0.609
181 HB3 LEU 28 2HB LEU 28 -3.170 1.465 -1.140
182 HG LEU 28 HG LEU 28 -1.231 1.973 -2.838
183 HD11 LEU 28 1HD1 LEU 28 0.107 0.157 -3.462
184 HD12 LEU 28 2HD1 LEU 28 -0.837 -0.983 -2.504
185 HD13 LEU 28 3HD1 LEU 28 0.203 0.193 -1.701
186 HD21 LEU 28 3HD2 LEU 28 -2.341 -0.181 -4.117
187 HD22 LEU 28 1HD2 LEU 28 -3.045 1.433 -4.026
188 HD23 LEU 28 2HD2 LEU 28 -3.541 0.190 -2.878
189 H THR 29 H THR 29 -3.144 3.747 -1.087
190 HA THR 29 HA THR 29 -1.851 5.168 -3.033
191 HB THR 29 HB THR 29 -4.319 5.315 -2.201
192 HG1 THR 29 HG1 THR 29 -4.458 6.844 -3.680
193 HG21 THR 29 3HG2 THR 29 -3.741 6.239 0.019
194 HG22 THR 29 1HG2 THR 29 -4.824 7.293 -0.889
195 HG23 THR 29 2HG2 THR 29 -3.108 7.683 -0.770
196 H GLN 30 H GLN 30 -1.670 5.633 0.441
197 HA GLN 30 HA GLN 30 -0.307 8.130 0.345
198 HB2 GLN 30 1HB GLN 30 -0.820 6.074 2.459
199 HB3 GLN 30 2HB GLN 30 0.359 7.345 2.760
200 HG2 GLN 30 1HG GLN 30 -2.362 8.072 1.787
201 HG3 GLN 30 2HG GLN 30 -2.126 7.642 3.480
202 HE21 GLN 30 1HE2 GLN 30 -2.494 9.635 4.329
203 HE22 GLN 30 2HE2 GLN 30 -1.464 10.996 4.062
204 H HIS 31 H HIS 31 0.698 4.778 0.318
205 HA HIS 31 HA HIS 31 3.472 5.330 0.780
206 HB2 HIS 31 1HB HIS 31 2.929 3.166 1.404
207 HB3 HIS 31 2HB HIS 31 1.878 2.917 0.013
208 HD1 HIS 31 HD1 HIS 31 5.544 3.032 0.919
209 HD2 HIS 31 HD2 HIS 31 3.066 1.705 -2.141
210 HE1 HIS 31 HE1 HIS 31 7.025 1.697 -0.614
211 H GLN 32 H GLN 32 1.435 4.829 -2.048
212 HA GLN 32 HA GLN 32 3.391 4.560 -4.003
213 HB2 GLN 32 1HB GLN 32 0.645 5.802 -4.114
214 HB3 GLN 32 2HB GLN 32 1.649 5.582 -5.541
215 HG2 GLN 32 1HG GLN 32 1.589 3.225 -5.330
216 HG3 GLN 32 2HG GLN 32 0.872 3.322 -3.722
217 HE21 GLN 32 1HE2 GLN 32 -0.112 1.898 -6.021
218 HE22 GLN 32 2HE2 GLN 32 -1.673 2.544 -6.380
219 H ARG 33 H ARG 33 2.612 7.267 -2.082
220 HA ARG 33 HA ARG 33 3.324 9.373 -3.807
221 HB2 ARG 33 1HB ARG 33 3.406 9.129 -0.799
222 HB3 ARG 33 2HB ARG 33 3.772 10.623 -1.651
223 HG2 ARG 33 1HG ARG 33 1.540 10.688 -2.574
224 HG3 ARG 33 2HG ARG 33 1.163 9.131 -1.834
225 HD2 ARG 33 1HD ARG 33 0.229 10.633 -0.341
226 HD3 ARG 33 2HD ARG 33 1.803 10.306 0.382
227 HE ARG 33 HE ARG 33 1.790 12.583 -1.369
228 HH11 ARG 33 1HH1 ARG 33 1.191 11.464 1.872
229 HH12 ARG 33 2HH1 ARG 33 1.447 13.018 2.595
230 HH21 ARG 33 1HH2 ARG 33 2.129 14.634 -0.429
231 HH22 ARG 33 2HH2 ARG 33 1.979 14.820 1.285
232 H VAL 34 H VAL 34 5.206 6.946 -2.360
233 HA VAL 34 HA VAL 34 7.664 8.441 -2.215
234 HB VAL 34 HB VAL 34 8.726 6.273 -1.749
235 HG11 VAL 34 1HG1 VAL 34 7.970 7.299 0.192
236 HG12 VAL 34 2HG1 VAL 34 6.272 7.075 -0.231
237 HG13 VAL 34 3HG1 VAL 34 7.242 5.696 0.287
238 HG21 VAL 34 3HG2 VAL 34 6.665 4.494 -1.362
239 HG22 VAL 34 1HG2 VAL 34 6.232 5.278 -2.882
240 HG23 VAL 34 2HG2 VAL 34 7.797 4.482 -2.715
241 H HIS 35 H HIS 35 5.902 6.939 -4.682
242 HA HIS 35 HA HIS 35 8.299 6.701 -6.375
243 HB2 HIS 35 1HB HIS 35 5.598 5.536 -7.024
244 HB3 HIS 35 2HB HIS 35 7.167 5.098 -7.694
245 HD1 HIS 35 HD1 HIS 35 8.865 4.137 -5.643
246 HD2 HIS 35 HD2 HIS 35 4.752 3.721 -5.225
247 HE1 HIS 35 HE1 HIS 35 8.543 2.306 -3.950
248 H THR 36 H THR 36 6.727 9.147 -5.693
249 HA THR 36 HA THR 36 6.744 10.345 -8.251
250 HB THR 36 HB THR 36 4.679 9.220 -8.691
251 HG1 THR 36 HG1 THR 36 4.717 11.438 -9.284
252 HG21 THR 36 3HG2 THR 36 3.275 8.611 -7.074
253 HG22 THR 36 1HG2 THR 36 2.941 10.300 -6.694
254 HG23 THR 36 2HG2 THR 36 4.278 9.465 -5.902
255 H GLY 37 H GLY 37 7.430 12.326 -7.792
256 HA2 GLY 37 1HA GLY 37 6.081 13.864 -5.706
257 HA3 GLY 37 2HA GLY 37 7.809 13.608 -5.512
258 H GLU 38 H GLU 38 5.803 14.347 -8.361
259 HA GLU 38 HA GLU 38 6.170 15.842 -10.059
260 HB2 GLU 38 1HB GLU 38 6.144 18.171 -9.326
261 HB3 GLU 38 2HB GLU 38 5.010 17.210 -8.386
262 HG2 GLU 38 1HG GLU 38 6.413 17.222 -6.493
263 HG3 GLU 38 2HG GLU 38 7.783 17.830 -7.420
264 H LYS 39 H LYS 39 8.452 14.369 -9.634
265 HA LYS 39 HA LYS 39 10.606 16.363 -9.896
266 HB2 LYS 39 1HB LYS 39 11.377 15.121 -8.139
267 HB3 LYS 39 2HB LYS 39 10.494 13.681 -8.629
268 HG2 LYS 39 1HG LYS 39 12.755 14.571 -10.333
269 HG3 LYS 39 2HG LYS 39 13.124 13.827 -8.775
270 HD2 LYS 39 1HD LYS 39 11.472 11.986 -9.523
271 HD3 LYS 39 2HD LYS 39 11.701 12.654 -11.141
272 HE2 LYS 39 1HE LYS 39 14.003 12.154 -11.130
273 HE3 LYS 39 2HE LYS 39 14.015 11.869 -9.390
274 HZ1 LYS 39 3HZ LYS 39 12.186 10.143 -10.734
275 HZ2 LYS 39 1HZ LYS 39 13.463 9.755 -9.694
276 HZ3 LYS 39 2HZ LYS 39 13.754 9.973 -11.346
277 HA PRO 40 HA PRO 40 11.000 15.139 -14.114
278 HB2 PRO 40 1HB PRO 40 13.510 16.070 -14.564
279 HB3 PRO 40 2HB PRO 40 12.103 17.130 -14.425
280 HG2 PRO 40 1HG PRO 40 14.175 16.454 -12.373
281 HG3 PRO 40 2HG PRO 40 13.452 18.027 -12.757
282 HD2 PRO 40 1HD PRO 40 12.660 16.539 -10.638
283 HD3 PRO 40 2HD PRO 40 11.547 17.592 -11.535
284 H SER 41 H SER 41 11.250 13.069 -14.665
285 HA SER 41 HA SER 41 12.703 11.115 -13.458
286 HB2 SER 41 1HB SER 41 11.903 11.469 -16.336
287 HB3 SER 41 2HB SER 41 12.800 10.042 -15.818
288 HG SER 41 HG SER 41 10.177 10.639 -15.489
289 H GLY 42 H GLY 42 13.824 12.720 -16.447
290 HA2 GLY 42 1HA GLY 42 16.575 12.506 -15.409
291 HA3 GLY 42 2HA GLY 42 16.195 11.957 -17.034
292 HA PRO 43 HA PRO 43 17.423 16.516 -16.961
293 HB2 PRO 43 1HB PRO 43 19.719 16.259 -18.386
294 HB3 PRO 43 2HB PRO 43 19.665 16.146 -16.623
295 HG2 PRO 43 1HG PRO 43 19.744 13.954 -18.661
296 HG3 PRO 43 2HG PRO 43 20.632 14.093 -17.132
297 HD2 PRO 43 1HD PRO 43 18.413 12.563 -17.394
298 HD3 PRO 43 2HD PRO 43 18.833 13.384 -15.877
299 H SER 44 H SER 44 16.487 14.122 -19.058
300 HA SER 44 HA SER 44 16.809 15.623 -21.517
301 HB2 SER 44 1HB SER 44 16.957 13.104 -21.394
302 HB3 SER 44 2HB SER 44 15.219 13.085 -21.095
303 HG SER 44 HG SER 44 15.908 12.840 -23.347
304 H SER 45 H SER 45 14.066 14.399 -19.597
305 HA SER 45 HA SER 45 11.943 15.388 -20.960
306 HB2 SER 45 1HB SER 45 11.698 14.115 -18.887
307 HB3 SER 45 2HB SER 45 12.318 15.478 -17.956
308 HG SER 45 HG SER 45 10.344 16.161 -17.895
309 H GLY 46 H GLY 46 11.773 17.309 -21.923
310 HA2 GLY 46 1HA GLY 46 12.053 19.582 -22.296
311 HA3 GLY 46 2HA GLY 46 11.166 19.665 -20.781
Start of MODEL 19
1 H1 GLY 1 H GLY 1 6.560 -34.849 -1.585
2 HA2 GLY 1 1HA GLY 1 6.576 -36.428 0.088
3 HA3 GLY 1 2HA GLY 1 7.957 -35.591 0.782
4 H SER 2 H SER 2 7.081 -33.206 1.531
5 HA SER 2 HA SER 2 4.632 -33.604 3.091
6 HB2 SER 2 1HB SER 2 7.381 -33.102 4.162
7 HB3 SER 2 2HB SER 2 5.998 -32.397 4.999
8 HG SER 2 HG SER 2 5.384 -34.325 5.634
9 H SER 3 H SER 3 3.730 -31.612 3.942
10 HA SER 3 HA SER 3 4.686 -29.191 2.573
11 HB2 SER 3 1HB SER 3 1.869 -30.274 2.650
12 HB3 SER 3 2HB SER 3 2.222 -28.586 2.281
13 HG SER 3 HG SER 3 2.051 -30.178 0.467
14 H GLY 4 H GLY 4 3.458 -27.203 3.486
15 HA2 GLY 4 1HA GLY 4 2.978 -27.529 6.371
16 HA3 GLY 4 2HA GLY 4 4.157 -26.350 5.817
17 H SER 5 H SER 5 0.852 -27.005 6.386
18 HA SER 5 HA SER 5 -0.278 -24.940 4.793
19 HB2 SER 5 1HB SER 5 -2.302 -25.286 6.169
20 HB3 SER 5 2HB SER 5 -1.631 -26.814 5.597
21 HG SER 5 HG SER 5 -1.414 -25.678 8.184
22 H SER 6 H SER 6 0.029 -22.841 5.065
23 HA SER 6 HA SER 6 -0.344 -21.585 7.610
24 HB2 SER 6 1HB SER 6 2.095 -22.437 7.581
25 HB3 SER 6 2HB SER 6 2.380 -21.161 6.398
26 HG SER 6 HG SER 6 2.532 -19.869 8.034
27 H GLY 7 H GLY 7 -0.963 -19.490 7.385
28 HA2 GLY 7 1HA GLY 7 -0.976 -17.367 6.304
29 HA3 GLY 7 2HA GLY 7 -0.467 -18.154 4.817
30 H THR 8 H THR 8 -2.940 -16.545 6.100
31 HA THR 8 HA THR 8 -5.139 -18.210 5.257
32 HB THR 8 HB THR 8 -5.422 -16.661 7.142
33 HG1 THR 8 HG1 THR 8 -7.002 -16.519 4.839
34 HG21 THR 8 3HG2 THR 8 -5.443 -14.357 5.231
35 HG22 THR 8 1HG2 THR 8 -3.929 -14.885 5.962
36 HG23 THR 8 2HG2 THR 8 -5.263 -14.351 6.985
37 H GLY 9 H GLY 9 -3.517 -15.287 4.066
38 HA2 GLY 9 1HA GLY 9 -3.907 -15.882 1.360
39 HA3 GLY 9 2HA GLY 9 -5.222 -14.831 1.866
40 H GLU 10 H GLU 10 -4.267 -13.396 0.218
41 HA GLU 10 HA GLU 10 -1.980 -11.889 1.308
42 HB2 GLU 10 1HB GLU 10 -1.427 -11.229 -0.966
43 HB3 GLU 10 2HB GLU 10 -1.480 -12.981 -0.840
44 HG2 GLU 10 1HG GLU 10 -3.521 -13.111 -1.994
45 HG3 GLU 10 2HG GLU 10 -3.819 -11.382 -1.822
46 H LYS 11 H LYS 11 -2.008 -9.590 1.039
47 HA LYS 11 HA LYS 11 -4.432 -8.382 1.732
48 HB2 LYS 11 1HB LYS 11 -1.790 -7.322 0.783
49 HB3 LYS 11 2HB LYS 11 -3.147 -6.229 1.023
50 HG2 LYS 11 1HG LYS 11 -2.185 -6.075 3.071
51 HG3 LYS 11 2HG LYS 11 -3.248 -7.454 3.366
52 HD2 LYS 11 1HD LYS 11 -1.276 -8.910 2.663
53 HD3 LYS 11 2HD LYS 11 -0.291 -7.453 2.818
54 HE2 LYS 11 1HE LYS 11 -1.225 -7.242 5.164
55 HE3 LYS 11 2HE LYS 11 -1.863 -8.872 4.956
56 HZ1 LYS 11 3HZ LYS 11 0.832 -8.013 5.468
57 HZ2 LYS 11 1HZ LYS 11 0.720 -9.133 4.205
58 HZ3 LYS 11 2HZ LYS 11 0.108 -9.519 5.734
59 HA PRO 12 HA PRO 12 -6.512 -7.831 -2.107
60 HB2 PRO 12 1HB PRO 12 -8.085 -5.718 -1.451
61 HB3 PRO 12 2HB PRO 12 -8.380 -7.356 -0.857
62 HG2 PRO 12 1HG PRO 12 -7.039 -5.058 0.514
63 HG3 PRO 12 2HG PRO 12 -8.214 -6.217 1.163
64 HD2 PRO 12 1HD PRO 12 -5.553 -6.427 1.622
65 HD3 PRO 12 2HD PRO 12 -6.615 -7.844 1.493
66 H PHE 13 H PHE 13 -4.441 -5.480 -0.741
67 HA PHE 13 HA PHE 13 -4.355 -4.050 -3.313
68 HB2 PHE 13 1HB PHE 13 -3.728 -2.707 -0.694
69 HB3 PHE 13 2HB PHE 13 -4.095 -1.965 -2.248
70 HD1 PHE 13 HD1 PHE 13 -6.506 -2.658 -3.186
71 HD2 PHE 13 HD2 PHE 13 -5.354 -2.624 0.911
72 HE1 PHE 13 HE1 PHE 13 -8.867 -2.445 -2.527
73 HE2 PHE 13 HE2 PHE 13 -7.713 -2.412 1.577
74 HZ PHE 13 HZ PHE 13 -9.474 -2.323 -0.143
75 H LYS 14 H LYS 14 -2.365 -3.634 -4.157
76 HA LYS 14 HA LYS 14 0.024 -4.048 -2.560
77 HB2 LYS 14 1HB LYS 14 -0.546 -6.311 -3.365
78 HB3 LYS 14 2HB LYS 14 -0.524 -5.719 -5.021
79 HG2 LYS 14 1HG LYS 14 1.838 -5.223 -4.847
80 HG3 LYS 14 2HG LYS 14 1.838 -5.716 -3.152
81 HD2 LYS 14 1HD LYS 14 0.917 -7.964 -4.080
82 HD3 LYS 14 2HD LYS 14 1.577 -7.395 -5.616
83 HE2 LYS 14 1HE LYS 14 3.313 -7.265 -3.206
84 HE3 LYS 14 2HE LYS 14 3.009 -8.846 -3.924
85 HZ1 LYS 14 3HZ LYS 14 3.795 -6.665 -5.707
86 HZ2 LYS 14 1HZ LYS 14 4.145 -8.318 -5.802
87 HZ3 LYS 14 2HZ LYS 14 4.989 -7.336 -4.714
88 H CYS 15 H CYS 15 1.879 -3.115 -3.447
89 HA CYS 15 HA CYS 15 1.333 -1.184 -5.574
90 HB2 CYS 15 1HB CYS 15 2.283 -0.059 -3.771
91 HB3 CYS 15 2HB CYS 15 3.380 -1.383 -3.394
92 H GLY 16 H GLY 16 2.420 -1.123 -7.492
93 HA2 GLY 16 1HA GLY 16 3.954 -3.526 -8.158
94 HA3 GLY 16 2HA GLY 16 3.245 -2.399 -9.305
95 H GLU 17 H GLU 17 4.416 -0.153 -7.607
96 HA GLU 17 HA GLU 17 6.677 0.354 -9.158
97 HB2 GLU 17 1HB GLU 17 6.025 1.463 -6.421
98 HB3 GLU 17 2HB GLU 17 7.165 2.156 -7.566
99 HG2 GLU 17 1HG GLU 17 4.218 1.824 -8.076
100 HG3 GLU 17 2HG GLU 17 4.982 3.309 -7.512
101 H CYS 18 H CYS 18 6.663 -0.385 -5.665
102 HA CYS 18 HA CYS 18 9.380 -1.466 -5.970
103 HB2 CYS 18 1HB CYS 18 9.661 -1.083 -3.589
104 HB3 CYS 18 2HB CYS 18 9.096 0.396 -4.359
105 H GLY 19 H GLY 19 6.236 -2.135 -4.466
106 HA2 GLY 19 1HA GLY 19 5.450 -4.478 -4.822
107 HA3 GLY 19 2HA GLY 19 7.047 -4.972 -4.279
108 H LYS 20 H LYS 20 5.258 -2.332 -2.833
109 HA LYS 20 HA LYS 20 5.217 -3.817 -0.311
110 HB2 LYS 20 1HB LYS 20 5.154 -0.923 -1.049
111 HB3 LYS 20 2HB LYS 20 4.447 -1.416 0.484
112 HG2 LYS 20 1HG LYS 20 6.650 -2.564 0.973
113 HG3 LYS 20 2HG LYS 20 7.295 -1.696 -0.423
114 HD2 LYS 20 1HD LYS 20 6.647 0.432 0.620
115 HD3 LYS 20 2HD LYS 20 6.035 -0.449 2.022
116 HE2 LYS 20 1HE LYS 20 8.888 -0.505 1.043
117 HE3 LYS 20 2HE LYS 20 8.296 0.483 2.376
118 HZ1 LYS 20 3HZ LYS 20 7.607 -2.285 2.652
119 HZ2 LYS 20 1HZ LYS 20 8.355 -1.244 3.756
120 HZ3 LYS 20 2HZ LYS 20 9.280 -2.040 2.585
121 H SER 21 H SER 21 3.399 -4.600 0.536
122 HA SER 21 HA SER 21 0.853 -3.858 -0.732
123 HB2 SER 21 1HB SER 21 -0.002 -6.001 0.161
124 HB3 SER 21 2HB SER 21 1.399 -6.236 -0.884
125 HG SER 21 HG SER 21 1.760 -7.451 0.918
126 H TYR 22 H TYR 22 -1.039 -3.645 0.613
127 HA TYR 22 HA TYR 22 -0.592 -3.198 3.457
128 HB2 TYR 22 1HB TYR 22 -1.650 -1.046 1.613
129 HB3 TYR 22 2HB TYR 22 -1.639 -0.955 3.371
130 HD1 TYR 22 HD2 TYR 22 0.525 -1.092 0.374
131 HD2 TYR 22 HD1 TYR 22 0.314 -0.310 4.550
132 HE1 TYR 22 HE2 TYR 22 2.789 -0.135 0.303
133 HE2 TYR 22 HE1 TYR 22 2.577 0.650 4.491
134 HH TYR 22 HH TYR 22 4.030 1.791 2.163
135 H ASN 23 H ASN 23 -2.262 -3.906 4.618
136 HA ASN 23 HA ASN 23 -4.433 -5.237 3.503
137 HB2 ASN 23 1HB ASN 23 -3.572 -5.512 5.842
138 HB3 ASN 23 2HB ASN 23 -4.356 -3.991 6.257
139 HD21 ASN 23 1HD2 ASN 23 -5.258 -5.718 7.806
140 HD22 ASN 23 2HD2 ASN 23 -6.755 -6.433 7.325
141 H GLN 24 H GLN 24 -4.077 -1.884 4.454
142 HA GLN 24 HA GLN 24 -6.884 -1.363 3.791
143 HB2 GLN 24 1HB GLN 24 -4.803 0.126 5.346
144 HB3 GLN 24 2HB GLN 24 -6.164 1.002 4.657
145 HG2 GLN 24 1HG GLN 24 -6.494 0.333 7.013
146 HG3 GLN 24 2HG GLN 24 -7.724 -0.294 5.917
147 HE21 GLN 24 1HE2 GLN 24 -8.240 -2.333 6.201
148 HE22 GLN 24 2HE2 GLN 24 -7.232 -3.557 6.887
149 H ARG 25 H ARG 25 -7.312 0.690 2.569
150 HA ARG 25 HA ARG 25 -5.701 0.675 0.160
151 HB2 ARG 25 1HB ARG 25 -8.231 2.179 0.854
152 HB3 ARG 25 2HB ARG 25 -7.461 2.181 -0.727
153 HG2 ARG 25 1HG ARG 25 -7.858 -0.193 -0.962
154 HG3 ARG 25 2HG ARG 25 -8.545 -0.260 0.663
155 HD2 ARG 25 1HD ARG 25 -10.469 -0.090 -0.548
156 HD3 ARG 25 2HD ARG 25 -10.120 1.623 -0.320
157 HE ARG 25 HE ARG 25 -8.895 0.713 -2.687
158 HH11 ARG 25 1HH1 ARG 25 -12.036 1.426 -1.366
159 HH12 ARG 25 2HH1 ARG 25 -12.734 1.829 -2.900
160 HH21 ARG 25 1HH2 ARG 25 -9.802 1.242 -4.713
161 HH22 ARG 25 2HH2 ARG 25 -11.462 1.724 -4.803
162 H VAL 26 H VAL 26 -6.843 3.143 2.467
163 HA VAL 26 HA VAL 26 -5.530 5.348 1.485
164 HB VAL 26 HB VAL 26 -7.061 5.596 3.312
165 HG11 VAL 26 1HG1 VAL 26 -7.114 4.184 5.023
166 HG12 VAL 26 2HG1 VAL 26 -5.662 3.396 4.404
167 HG13 VAL 26 3HG1 VAL 26 -5.522 4.730 5.549
168 HG21 VAL 26 3HG2 VAL 26 -4.497 6.336 4.638
169 HG22 VAL 26 1HG2 VAL 26 -4.888 7.056 3.076
170 HG23 VAL 26 2HG2 VAL 26 -5.979 7.273 4.445
171 H HIS 27 H HIS 27 -4.161 2.547 2.904
172 HA HIS 27 HA HIS 27 -1.677 3.797 3.680
173 HB2 HIS 27 1HB HIS 27 -2.810 1.046 3.761
174 HB3 HIS 27 2HB HIS 27 -1.056 1.198 3.745
175 HD1 HIS 27 HD1 HIS 27 -0.766 0.402 6.156
176 HD2 HIS 27 HD2 HIS 27 -3.230 3.727 5.789
177 HE1 HIS 27 HE1 HIS 27 -1.096 1.256 8.498
178 H LEU 28 H LEU 28 -2.911 1.933 0.968
179 HA LEU 28 HA LEU 28 -0.385 1.548 -0.293
180 HB2 LEU 28 1HB LEU 28 -2.261 0.087 -0.761
181 HB3 LEU 28 2HB LEU 28 -3.188 1.445 -1.397
182 HG LEU 28 HG LEU 28 -1.577 1.642 -3.253
183 HD11 LEU 28 1HD1 LEU 28 0.369 0.570 -3.304
184 HD12 LEU 28 2HD1 LEU 28 -0.391 -0.977 -2.929
185 HD13 LEU 28 3HD1 LEU 28 0.068 0.119 -1.626
186 HD21 LEU 28 3HD2 LEU 28 -3.670 0.093 -3.180
187 HD22 LEU 28 1HD2 LEU 28 -2.476 -1.206 -3.203
188 HD23 LEU 28 2HD2 LEU 28 -2.529 -0.033 -4.520
189 H THR 29 H THR 29 -3.138 3.663 -1.122
190 HA THR 29 HA THR 29 -1.931 5.088 -3.167
191 HB THR 29 HB THR 29 -4.361 5.200 -2.469
192 HG1 THR 29 HG1 THR 29 -4.070 6.695 -3.957
193 HG21 THR 29 3HG2 THR 29 -5.048 6.767 -0.812
194 HG22 THR 29 1HG2 THR 29 -3.403 7.369 -0.607
195 HG23 THR 29 2HG2 THR 29 -3.822 5.743 -0.065
196 H GLN 30 H GLN 30 -1.869 5.704 0.319
197 HA GLN 30 HA GLN 30 -0.463 8.154 0.173
198 HB2 GLN 30 1HB GLN 30 -1.008 6.160 2.337
199 HB3 GLN 30 2HB GLN 30 0.163 7.441 2.620
200 HG2 GLN 30 1HG GLN 30 -1.723 9.015 1.818
201 HG3 GLN 30 2HG GLN 30 -2.779 7.644 2.153
202 HE21 GLN 30 1HE2 GLN 30 -1.367 10.361 3.425
203 HE22 GLN 30 2HE2 GLN 30 -1.571 10.016 5.106
204 H HIS 31 H HIS 31 0.551 4.802 0.294
205 HA HIS 31 HA HIS 31 3.291 5.295 0.845
206 HB2 HIS 31 1HB HIS 31 2.750 3.102 1.286
207 HB3 HIS 31 2HB HIS 31 1.693 2.968 -0.116
208 HD1 HIS 31 HD1 HIS 31 5.409 3.168 0.650
209 HD2 HIS 31 HD2 HIS 31 2.807 1.656 -2.214
210 HE1 HIS 31 HE1 HIS 31 6.848 1.851 -0.937
211 H GLN 32 H GLN 32 1.390 5.150 -2.094
212 HA GLN 32 HA GLN 32 3.486 4.960 -3.951
213 HB2 GLN 32 1HB GLN 32 0.766 6.250 -4.213
214 HB3 GLN 32 2HB GLN 32 1.854 5.945 -5.560
215 HG2 GLN 32 1HG GLN 32 1.678 3.592 -5.275
216 HG3 GLN 32 2HG GLN 32 0.821 3.783 -3.747
217 HE21 GLN 32 1HE2 GLN 32 0.126 2.463 -6.340
218 HE22 GLN 32 2HE2 GLN 32 -1.416 3.117 -6.765
219 H ARG 33 H ARG 33 2.678 7.459 -1.837
220 HA ARG 33 HA ARG 33 3.269 9.760 -3.303
221 HB2 ARG 33 1HB ARG 33 3.541 9.089 -0.381
222 HB3 ARG 33 2HB ARG 33 3.978 10.673 -1.007
223 HG2 ARG 33 1HG ARG 33 1.673 10.894 -1.903
224 HG3 ARG 33 2HG ARG 33 1.267 9.372 -1.107
225 HD2 ARG 33 1HD ARG 33 0.590 11.289 0.245
226 HD3 ARG 33 2HD ARG 33 1.834 10.339 1.057
227 HE ARG 33 HE ARG 33 2.078 13.043 0.052
228 HH11 ARG 33 1HH1 ARG 33 3.719 10.190 1.187
229 HH12 ARG 33 2HH1 ARG 33 5.169 11.036 1.615
230 HH21 ARG 33 1HH2 ARG 33 3.982 14.168 0.611
231 HH22 ARG 33 2HH2 ARG 33 5.317 13.299 1.288
232 H VAL 34 H VAL 34 5.287 7.191 -2.454
233 HA VAL 34 HA VAL 34 7.730 8.785 -2.480
234 HB VAL 34 HB VAL 34 8.905 6.821 -1.853
235 HG11 VAL 34 1HG1 VAL 34 8.091 7.278 0.175
236 HG12 VAL 34 2HG1 VAL 34 6.463 7.552 -0.449
237 HG13 VAL 34 3HG1 VAL 34 7.004 5.913 -0.082
238 HG21 VAL 34 3HG2 VAL 34 7.848 4.596 -1.790
239 HG22 VAL 34 1HG2 VAL 34 6.400 5.281 -2.527
240 HG23 VAL 34 2HG2 VAL 34 7.918 5.257 -3.423
241 H HIS 35 H HIS 35 5.872 6.675 -4.526
242 HA HIS 35 HA HIS 35 8.018 6.528 -6.504
243 HB2 HIS 35 1HB HIS 35 5.257 5.319 -6.695
244 HB3 HIS 35 2HB HIS 35 6.683 4.894 -7.637
245 HD1 HIS 35 HD1 HIS 35 8.777 4.184 -5.761
246 HD2 HIS 35 HD2 HIS 35 4.796 3.384 -4.885
247 HE1 HIS 35 HE1 HIS 35 8.823 2.356 -4.034
248 H THR 36 H THR 36 6.387 8.983 -5.778
249 HA THR 36 HA THR 36 5.911 9.822 -8.523
250 HB THR 36 HB THR 36 3.713 8.956 -7.605
251 HG1 THR 36 HG1 THR 36 3.369 11.687 -8.083
252 HG21 THR 36 3HG2 THR 36 2.513 10.303 -6.012
253 HG22 THR 36 1HG2 THR 36 3.830 11.472 -5.941
254 HG23 THR 36 2HG2 THR 36 4.060 9.845 -5.301
255 H GLY 37 H GLY 37 6.173 12.016 -8.854
256 HA2 GLY 37 1HA GLY 37 6.020 14.151 -7.242
257 HA3 GLY 37 2HA GLY 37 7.526 13.423 -6.703
258 H GLU 38 H GLU 38 9.179 13.029 -8.403
259 HA GLU 38 HA GLU 38 9.133 15.237 -10.349
260 HB2 GLU 38 1HB GLU 38 10.916 15.068 -8.461
261 HB3 GLU 38 2HB GLU 38 11.633 13.825 -9.477
262 HG2 GLU 38 1HG GLU 38 11.377 15.709 -11.319
263 HG3 GLU 38 2HG GLU 38 11.447 16.750 -9.899
264 H LYS 39 H LYS 39 7.793 13.491 -11.530
265 HA LYS 39 HA LYS 39 8.986 11.209 -12.619
266 HB2 LYS 39 1HB LYS 39 7.196 11.238 -14.255
267 HB3 LYS 39 2HB LYS 39 6.559 11.675 -12.675
268 HG2 LYS 39 1HG LYS 39 6.176 13.857 -13.278
269 HG3 LYS 39 2HG LYS 39 7.399 13.832 -14.550
270 HD2 LYS 39 1HD LYS 39 5.492 13.771 -15.819
271 HD3 LYS 39 2HD LYS 39 5.780 12.042 -15.608
272 HE2 LYS 39 1HE LYS 39 4.175 11.947 -13.815
273 HE3 LYS 39 2HE LYS 39 3.970 13.698 -13.854
274 HZ1 LYS 39 3HZ LYS 39 2.904 11.663 -15.650
275 HZ2 LYS 39 1HZ LYS 39 3.357 13.136 -16.351
276 HZ3 LYS 39 2HZ LYS 39 2.205 13.107 -15.113
277 HA PRO 40 HA PRO 40 11.853 12.785 -15.564
278 HB2 PRO 40 1HB PRO 40 11.971 10.651 -17.238
279 HB3 PRO 40 2HB PRO 40 12.719 10.658 -15.637
280 HG2 PRO 40 1HG PRO 40 10.105 9.482 -16.501
281 HG3 PRO 40 2HG PRO 40 11.343 8.795 -15.433
282 HD2 PRO 40 1HD PRO 40 9.086 9.958 -14.490
283 HD3 PRO 40 2HD PRO 40 10.629 10.016 -13.613
284 H SER 41 H SER 41 10.647 14.471 -16.502
285 HA SER 41 HA SER 41 8.599 14.065 -18.416
286 HB2 SER 41 1HB SER 41 10.360 16.494 -18.002
287 HB3 SER 41 2HB SER 41 8.839 16.460 -18.893
288 HG SER 41 HG SER 41 8.130 15.497 -16.670
289 H GLY 42 H GLY 42 12.004 15.062 -18.798
290 HA2 GLY 42 1HA GLY 42 12.030 15.097 -21.598
291 HA3 GLY 42 2HA GLY 42 13.442 14.874 -20.576
292 HA PRO 43 HA PRO 43 11.796 10.819 -22.661
293 HB2 PRO 43 1HB PRO 43 12.640 11.041 -25.232
294 HB3 PRO 43 2HB PRO 43 11.027 11.534 -24.704
295 HG2 PRO 43 1HG PRO 43 13.459 13.213 -25.180
296 HG3 PRO 43 2HG PRO 43 11.775 13.528 -25.637
297 HD2 PRO 43 1HD PRO 43 12.936 14.671 -23.474
298 HD3 PRO 43 2HD PRO 43 11.208 14.265 -23.528
299 H SER 44 H SER 44 13.145 9.073 -22.762
300 HA SER 44 HA SER 44 15.999 9.519 -23.244
301 HB2 SER 44 1HB SER 44 14.835 8.235 -20.766
302 HB3 SER 44 2HB SER 44 16.527 8.084 -21.238
303 HG SER 44 HG SER 44 16.206 10.587 -21.339
304 H SER 45 H SER 45 16.606 8.140 -24.761
305 HA SER 45 HA SER 45 15.243 5.536 -24.935
306 HB2 SER 45 1HB SER 45 15.270 7.312 -26.888
307 HB3 SER 45 2HB SER 45 16.870 6.636 -27.194
308 HG SER 45 HG SER 45 15.547 5.370 -28.358
309 H GLY 46 H GLY 46 16.377 3.716 -24.652
310 HA2 GLY 46 1HA GLY 46 19.216 3.955 -24.035
311 HA3 GLY 46 2HA GLY 46 18.199 2.552 -23.740
Start of MODEL 20
1 H1 GLY 1 H GLY 1 12.164 -27.305 0.795
2 HA2 GLY 1 1HA GLY 1 11.276 -26.287 -1.191
3 HA3 GLY 1 2HA GLY 1 10.760 -27.879 -1.728
4 H SER 2 H SER 2 10.176 -25.444 0.787
5 HA SER 2 HA SER 2 7.338 -25.690 0.459
6 HB2 SER 2 1HB SER 2 6.759 -26.537 2.614
7 HB3 SER 2 2HB SER 2 7.960 -27.646 1.954
8 HG SER 2 HG SER 2 8.105 -25.992 4.142
9 H SER 3 H SER 3 6.193 -24.001 1.427
10 HA SER 3 HA SER 3 7.418 -22.168 3.244
11 HB2 SER 3 1HB SER 3 7.582 -20.240 1.785
12 HB3 SER 3 2HB SER 3 8.550 -21.549 1.107
13 HG SER 3 HG SER 3 6.755 -22.003 -0.281
14 H GLY 4 H GLY 4 5.936 -20.803 4.185
15 HA2 GLY 4 1HA GLY 4 3.206 -20.838 3.070
16 HA3 GLY 4 2HA GLY 4 3.483 -21.220 4.763
17 H SER 5 H SER 5 3.555 -18.691 2.338
18 HA SER 5 HA SER 5 4.251 -16.619 4.205
19 HB2 SER 5 1HB SER 5 3.546 -16.751 1.311
20 HB3 SER 5 2HB SER 5 3.336 -15.206 2.136
21 HG SER 5 HG SER 5 5.401 -15.170 1.450
22 H SER 6 H SER 6 1.293 -17.457 2.405
23 HA SER 6 HA SER 6 -0.290 -15.580 3.908
24 HB2 SER 6 1HB SER 6 -0.891 -15.981 1.601
25 HB3 SER 6 2HB SER 6 -1.051 -17.711 1.899
26 HG SER 6 HG SER 6 -2.929 -15.905 2.080
27 H GLY 7 H GLY 7 -0.578 -16.043 6.010
28 HA2 GLY 7 1HA GLY 7 -0.927 -18.769 6.918
29 HA3 GLY 7 2HA GLY 7 -0.911 -17.326 7.921
30 H THR 8 H THR 8 -2.927 -15.831 6.826
31 HA THR 8 HA THR 8 -5.293 -17.560 7.151
32 HB THR 8 HB THR 8 -6.423 -15.583 8.206
33 HG1 THR 8 HG1 THR 8 -5.356 -13.765 8.365
34 HG21 THR 8 3HG2 THR 8 -4.911 -17.522 9.356
35 HG22 THR 8 1HG2 THR 8 -5.861 -16.342 10.257
36 HG23 THR 8 2HG2 THR 8 -4.138 -16.072 9.996
37 H GLY 9 H GLY 9 -4.171 -14.418 5.898
38 HA2 GLY 9 1HA GLY 9 -5.611 -14.850 3.433
39 HA3 GLY 9 2HA GLY 9 -6.289 -13.573 4.432
40 H GLU 10 H GLU 10 -5.040 -13.428 1.778
41 HA GLU 10 HA GLU 10 -2.537 -12.029 2.246
42 HB2 GLU 10 1HB GLU 10 -3.130 -13.592 0.243
43 HB3 GLU 10 2HB GLU 10 -3.924 -12.165 -0.409
44 HG2 GLU 10 1HG GLU 10 -1.555 -12.583 -1.164
45 HG3 GLU 10 2HG GLU 10 -1.911 -10.970 -0.547
46 H LYS 11 H LYS 11 -2.229 -9.892 1.096
47 HA LYS 11 HA LYS 11 -4.168 -8.040 2.093
48 HB2 LYS 11 1HB LYS 11 -1.789 -7.504 0.307
49 HB3 LYS 11 2HB LYS 11 -2.673 -6.316 1.256
50 HG2 LYS 11 1HG LYS 11 -1.463 -8.622 2.683
51 HG3 LYS 11 2HG LYS 11 -0.394 -7.350 2.087
52 HD2 LYS 11 1HD LYS 11 -1.758 -5.680 3.285
53 HD3 LYS 11 2HD LYS 11 -2.763 -6.984 3.922
54 HE2 LYS 11 1HE LYS 11 -1.153 -6.360 5.591
55 HE3 LYS 11 2HE LYS 11 -0.740 -7.959 4.974
56 HZ1 LYS 11 3HZ LYS 11 0.678 -6.360 3.354
57 HZ2 LYS 11 1HZ LYS 11 1.290 -7.074 4.761
58 HZ3 LYS 11 2HZ LYS 11 0.730 -5.478 4.796
59 HA PRO 12 HA PRO 12 -6.737 -7.846 -1.500
60 HB2 PRO 12 1HB PRO 12 -8.074 -5.572 -0.858
61 HB3 PRO 12 2HB PRO 12 -8.392 -7.126 -0.079
62 HG2 PRO 12 1HG PRO 12 -6.741 -4.825 0.890
63 HG3 PRO 12 2HG PRO 12 -7.892 -5.832 1.788
64 HD2 PRO 12 1HD PRO 12 -5.213 -6.201 1.931
65 HD3 PRO 12 2HD PRO 12 -6.370 -7.541 2.070
66 H PHE 13 H PHE 13 -4.562 -5.317 -0.517
67 HA PHE 13 HA PHE 13 -4.622 -4.234 -3.257
68 HB2 PHE 13 1HB PHE 13 -3.869 -2.721 -0.749
69 HB3 PHE 13 2HB PHE 13 -4.015 -2.062 -2.376
70 HD1 PHE 13 HD1 PHE 13 -6.377 -2.408 -3.490
71 HD2 PHE 13 HD2 PHE 13 -5.630 -2.470 0.700
72 HE1 PHE 13 HE1 PHE 13 -8.742 -1.879 -3.064
73 HE2 PHE 13 HE2 PHE 13 -7.994 -1.942 1.133
74 HZ PHE 13 HZ PHE 13 -9.553 -1.646 -0.750
75 H LYS 14 H LYS 14 -2.559 -3.325 -4.007
76 HA LYS 14 HA LYS 14 -0.141 -4.111 -2.652
77 HB2 LYS 14 1HB LYS 14 -0.926 -6.203 -3.811
78 HB3 LYS 14 2HB LYS 14 -0.735 -5.355 -5.340
79 HG2 LYS 14 1HG LYS 14 1.685 -4.960 -4.602
80 HG3 LYS 14 2HG LYS 14 1.375 -6.208 -3.393
81 HD2 LYS 14 1HD LYS 14 0.610 -7.684 -5.296
82 HD3 LYS 14 2HD LYS 14 1.258 -6.462 -6.392
83 HE2 LYS 14 1HE LYS 14 3.446 -6.708 -5.124
84 HE3 LYS 14 2HE LYS 14 2.740 -8.145 -4.387
85 HZ1 LYS 14 3HZ LYS 14 2.478 -9.118 -6.563
86 HZ2 LYS 14 1HZ LYS 14 4.093 -8.663 -6.342
87 HZ3 LYS 14 2HZ LYS 14 3.073 -7.720 -7.308
88 H CYS 15 H CYS 15 1.690 -3.082 -3.451
89 HA CYS 15 HA CYS 15 1.130 -0.826 -5.204
90 HB2 CYS 15 1HB CYS 15 2.316 -0.098 -3.339
91 HB3 CYS 15 2HB CYS 15 3.338 -1.531 -3.304
92 H GLY 16 H GLY 16 1.590 -0.843 -7.299
93 HA2 GLY 16 1HA GLY 16 3.291 -2.982 -8.353
94 HA3 GLY 16 2HA GLY 16 2.192 -1.977 -9.287
95 H GLU 17 H GLU 17 4.786 -1.093 -7.023
96 HA GLU 17 HA GLU 17 6.232 0.146 -9.258
97 HB2 GLU 17 1HB GLU 17 5.440 1.452 -6.660
98 HB3 GLU 17 2HB GLU 17 6.760 2.059 -7.650
99 HG2 GLU 17 1HG GLU 17 4.061 1.633 -8.852
100 HG3 GLU 17 2HG GLU 17 4.391 3.074 -7.892
101 H CYS 18 H CYS 18 6.345 -0.824 -5.847
102 HA CYS 18 HA CYS 18 9.182 -1.520 -6.232
103 HB2 CYS 18 1HB CYS 18 9.634 -0.915 -3.935
104 HB3 CYS 18 2HB CYS 18 8.877 0.453 -4.745
105 H GLY 19 H GLY 19 6.186 -2.261 -4.493
106 HA2 GLY 19 1HA GLY 19 5.586 -4.695 -4.636
107 HA3 GLY 19 2HA GLY 19 7.221 -4.996 -4.066
108 H LYS 20 H LYS 20 5.131 -2.421 -2.899
109 HA LYS 20 HA LYS 20 5.202 -3.674 -0.243
110 HB2 LYS 20 1HB LYS 20 5.028 -0.837 -1.188
111 HB3 LYS 20 2HB LYS 20 4.410 -1.259 0.404
112 HG2 LYS 20 1HG LYS 20 6.744 -2.368 0.714
113 HG3 LYS 20 2HG LYS 20 7.213 -1.302 -0.612
114 HD2 LYS 20 1HD LYS 20 6.866 0.611 0.627
115 HD3 LYS 20 2HD LYS 20 5.710 -0.172 1.707
116 HE2 LYS 20 1HE LYS 20 7.502 -0.044 3.110
117 HE3 LYS 20 2HE LYS 20 7.841 -1.601 2.356
118 HZ1 LYS 20 3HZ LYS 20 9.505 -0.702 1.054
119 HZ2 LYS 20 1HZ LYS 20 9.706 0.138 2.509
120 HZ3 LYS 20 2HZ LYS 20 8.932 0.882 1.203
121 H SER 21 H SER 21 3.434 -4.798 0.226
122 HA SER 21 HA SER 21 0.860 -3.986 -0.900
123 HB2 SER 21 1HB SER 21 1.187 -6.439 0.781
124 HB3 SER 21 2HB SER 21 0.138 -6.166 -0.610
125 HG SER 21 HG SER 21 2.943 -6.583 -0.615
126 H TYR 22 H TYR 22 -0.938 -3.522 0.347
127 HA TYR 22 HA TYR 22 -0.516 -3.270 3.245
128 HB2 TYR 22 1HB TYR 22 -1.578 -1.158 1.369
129 HB3 TYR 22 2HB TYR 22 -1.821 -1.097 3.111
130 HD1 TYR 22 HD2 TYR 22 0.693 -0.933 0.423
131 HD2 TYR 22 HD1 TYR 22 -0.043 -0.472 4.588
132 HE1 TYR 22 HE2 TYR 22 2.880 0.161 0.683
133 HE2 TYR 22 HE1 TYR 22 2.141 0.625 4.859
134 HH TYR 22 HH TYR 22 4.040 1.627 2.171
135 H ASN 23 H ASN 23 -2.393 -3.402 4.525
136 HA ASN 23 HA ASN 23 -4.405 -5.128 3.487
137 HB2 ASN 23 1HB ASN 23 -5.197 -5.291 5.675
138 HB3 ASN 23 2HB ASN 23 -3.489 -4.931 5.913
139 HD21 ASN 23 1HD2 ASN 23 -6.532 -4.167 6.872
140 HD22 ASN 23 2HD2 ASN 23 -6.244 -2.593 7.524
141 H GLN 24 H GLN 24 -4.204 -1.688 4.123
142 HA GLN 24 HA GLN 24 -6.946 -1.382 3.090
143 HB2 GLN 24 1HB GLN 24 -5.415 0.160 5.156
144 HB3 GLN 24 2HB GLN 24 -6.711 0.938 4.258
145 HG2 GLN 24 1HG GLN 24 -6.938 -1.499 6.007
146 HG3 GLN 24 2HG GLN 24 -7.557 0.117 6.348
147 HE21 GLN 24 1HE2 GLN 24 -9.040 -2.331 6.271
148 HE22 GLN 24 2HE2 GLN 24 -10.230 -2.166 5.031
149 H ARG 25 H ARG 25 -7.263 -0.164 1.318
150 HA ARG 25 HA ARG 25 -5.105 0.518 -0.346
151 HB2 ARG 25 1HB ARG 25 -6.843 1.717 -1.704
152 HB3 ARG 25 2HB ARG 25 -7.228 0.041 -1.337
153 HG2 ARG 25 1HG ARG 25 -9.235 0.986 -0.874
154 HG3 ARG 25 2HG ARG 25 -8.477 1.159 0.710
155 HD2 ARG 25 1HD ARG 25 -8.201 3.417 0.485
156 HD3 ARG 25 2HD ARG 25 -8.083 3.336 -1.272
157 HE ARG 25 HE ARG 25 -10.378 3.510 -1.417
158 HH11 ARG 25 1HH1 ARG 25 -9.421 3.015 1.894
159 HH12 ARG 25 2HH1 ARG 25 -10.987 3.381 2.538
160 HH21 ARG 25 1HH2 ARG 25 -12.444 3.994 -0.581
161 HH22 ARG 25 2HH2 ARG 25 -12.706 3.937 1.129
162 H VAL 26 H VAL 26 -6.417 2.134 2.319
163 HA VAL 26 HA VAL 26 -5.871 4.823 1.491
164 HB VAL 26 HB VAL 26 -7.540 4.243 3.251
165 HG11 VAL 26 1HG1 VAL 26 -7.019 3.188 5.159
166 HG12 VAL 26 2HG1 VAL 26 -5.551 2.700 4.311
167 HG13 VAL 26 3HG1 VAL 26 -5.530 4.108 5.374
168 HG21 VAL 26 3HG2 VAL 26 -5.668 6.379 3.196
169 HG22 VAL 26 1HG2 VAL 26 -7.329 6.386 3.788
170 HG23 VAL 26 2HG2 VAL 26 -6.004 5.987 4.882
171 H HIS 27 H HIS 27 -4.099 2.290 3.122
172 HA HIS 27 HA HIS 27 -1.941 4.059 3.898
173 HB2 HIS 27 1HB HIS 27 -2.610 1.191 4.312
174 HB3 HIS 27 2HB HIS 27 -0.907 1.638 4.370
175 HD1 HIS 27 HD1 HIS 27 -0.093 2.396 6.580
176 HD2 HIS 27 HD2 HIS 27 -4.208 2.837 6.211
177 HE1 HIS 27 HE1 HIS 27 -0.889 3.189 8.830
178 H LEU 28 H LEU 28 -2.762 1.986 1.258
179 HA LEU 28 HA LEU 28 -0.092 1.673 0.259
180 HB2 LEU 28 1HB LEU 28 -1.551 -0.025 -0.382
181 HB3 LEU 28 2HB LEU 28 -2.832 1.108 -0.808
182 HG LEU 28 HG LEU 28 -1.529 1.789 -2.791
183 HD11 LEU 28 1HD1 LEU 28 0.360 0.291 -3.468
184 HD12 LEU 28 2HD1 LEU 28 0.355 -0.352 -1.826
185 HD13 LEU 28 3HD1 LEU 28 0.706 1.354 -2.104
186 HD21 LEU 28 3HD2 LEU 28 -3.243 -0.025 -2.849
187 HD22 LEU 28 1HD2 LEU 28 -1.933 -1.195 -2.679
188 HD23 LEU 28 2HD2 LEU 28 -2.006 -0.152 -4.100
189 H THR 29 H THR 29 -2.908 3.601 -0.759
190 HA THR 29 HA THR 29 -1.742 4.933 -2.895
191 HB THR 29 HB THR 29 -4.185 4.995 -2.161
192 HG1 THR 29 HG1 THR 29 -3.733 6.276 -3.867
193 HG21 THR 29 3HG2 THR 29 -3.211 7.334 -0.519
194 HG22 THR 29 1HG2 THR 29 -3.706 5.781 0.153
195 HG23 THR 29 2HG2 THR 29 -4.877 6.786 -0.702
196 H GLN 30 H GLN 30 -1.705 5.748 0.549
197 HA GLN 30 HA GLN 30 -0.409 8.242 0.279
198 HB2 GLN 30 1HB GLN 30 -0.807 6.314 2.537
199 HB3 GLN 30 2HB GLN 30 0.280 7.681 2.741
200 HG2 GLN 30 1HG GLN 30 -2.506 8.100 1.746
201 HG3 GLN 30 2HG GLN 30 -2.187 7.896 3.468
202 HE21 GLN 30 1HE2 GLN 30 -0.282 9.297 4.240
203 HE22 GLN 30 2HE2 GLN 30 -0.314 10.944 3.719
204 H HIS 31 H HIS 31 0.743 4.971 0.281
205 HA HIS 31 HA HIS 31 3.489 5.650 0.805
206 HB2 HIS 31 1HB HIS 31 3.098 3.479 1.461
207 HB3 HIS 31 2HB HIS 31 1.988 3.164 0.130
208 HD1 HIS 31 HD1 HIS 31 5.720 3.666 0.660
209 HD2 HIS 31 HD2 HIS 31 3.077 1.693 -1.868
210 HE1 HIS 31 HE1 HIS 31 7.159 2.282 -0.869
211 H GLN 32 H GLN 32 1.522 4.945 -2.038
212 HA GLN 32 HA GLN 32 3.516 4.752 -3.959
213 HB2 GLN 32 1HB GLN 32 0.735 5.907 -4.201
214 HB3 GLN 32 2HB GLN 32 1.773 5.531 -5.569
215 HG2 GLN 32 1HG GLN 32 1.832 3.165 -4.764
216 HG3 GLN 32 2HG GLN 32 0.609 3.607 -3.575
217 HE21 GLN 32 1HE2 GLN 32 -0.515 1.843 -4.769
218 HE22 GLN 32 2HE2 GLN 32 -1.460 2.288 -6.145
219 H ARG 33 H ARG 33 2.656 7.425 -2.070
220 HA ARG 33 HA ARG 33 3.148 9.571 -3.800
221 HB2 ARG 33 1HB ARG 33 3.403 9.249 -0.819
222 HB3 ARG 33 2HB ARG 33 3.801 10.766 -1.615
223 HG2 ARG 33 1HG ARG 33 1.449 10.610 -2.635
224 HG3 ARG 33 2HG ARG 33 1.146 9.407 -1.380
225 HD2 ARG 33 1HD ARG 33 1.726 11.020 0.339
226 HD3 ARG 33 2HD ARG 33 2.120 12.219 -0.893
227 HE ARG 33 HE ARG 33 -0.469 11.583 0.102
228 HH11 ARG 33 1HH1 ARG 33 1.250 12.595 -2.751
229 HH12 ARG 33 2HH1 ARG 33 -0.117 13.400 -3.448
230 HH21 ARG 33 1HH2 ARG 33 -2.276 12.639 -0.805
231 HH22 ARG 33 2HH2 ARG 33 -2.122 13.425 -2.340
232 H VAL 34 H VAL 34 5.307 7.402 -2.143
233 HA VAL 34 HA VAL 34 7.663 8.961 -2.318
234 HB VAL 34 HB VAL 34 8.876 6.990 -1.771
235 HG11 VAL 34 1HG1 VAL 34 6.217 7.308 -0.470
236 HG12 VAL 34 2HG1 VAL 34 7.229 5.939 -0.005
237 HG13 VAL 34 3HG1 VAL 34 7.833 7.587 0.179
238 HG21 VAL 34 3HG2 VAL 34 6.434 5.388 -2.531
239 HG22 VAL 34 1HG2 VAL 34 7.900 5.537 -3.501
240 HG23 VAL 34 2HG2 VAL 34 7.962 4.747 -1.925
241 H HIS 35 H HIS 35 6.049 6.784 -4.537
242 HA HIS 35 HA HIS 35 8.253 6.719 -6.398
243 HB2 HIS 35 1HB HIS 35 5.391 5.845 -6.833
244 HB3 HIS 35 2HB HIS 35 6.790 5.397 -7.804
245 HD1 HIS 35 HD1 HIS 35 8.743 4.558 -5.601
246 HD2 HIS 35 HD2 HIS 35 4.732 3.476 -5.676
247 HE1 HIS 35 HE1 HIS 35 8.583 2.472 -4.206
248 H THR 36 H THR 36 5.662 8.817 -5.722
249 HA THR 36 HA THR 36 5.900 10.078 -8.375
250 HB THR 36 HB THR 36 3.598 9.275 -7.446
251 HG1 THR 36 HG1 THR 36 3.411 10.438 -9.248
252 HG21 THR 36 3HG2 THR 36 4.266 10.882 -5.344
253 HG22 THR 36 1HG2 THR 36 2.620 10.404 -5.761
254 HG23 THR 36 2HG2 THR 36 3.252 11.957 -6.307
255 H GLY 37 H GLY 37 5.460 12.526 -8.265
256 HA2 GLY 37 1HA GLY 37 5.631 14.408 -6.555
257 HA3 GLY 37 2HA GLY 37 7.128 13.614 -6.089
258 H GLU 38 H GLU 38 5.976 13.919 -9.395
259 HA GLU 38 HA GLU 38 8.376 14.775 -10.461
260 HB2 GLU 38 1HB GLU 38 5.533 15.065 -11.378
261 HB3 GLU 38 2HB GLU 38 6.842 15.782 -12.305
262 HG2 GLU 38 1HG GLU 38 6.563 13.741 -13.330
263 HG3 GLU 38 2HG GLU 38 7.890 13.426 -12.214
264 H LYS 39 H LYS 39 9.515 16.521 -9.974
265 HA LYS 39 HA LYS 39 8.175 19.119 -9.908
266 HB2 LYS 39 1HB LYS 39 8.290 18.524 -7.576
267 HB3 LYS 39 2HB LYS 39 9.978 18.056 -7.730
268 HG2 LYS 39 1HG LYS 39 10.363 20.508 -8.425
269 HG3 LYS 39 2HG LYS 39 8.776 20.794 -7.705
270 HD2 LYS 39 1HD LYS 39 10.846 19.284 -6.167
271 HD3 LYS 39 2HD LYS 39 10.943 21.044 -6.263
272 HE2 LYS 39 1HE LYS 39 8.593 21.149 -5.446
273 HE3 LYS 39 2HE LYS 39 8.641 19.402 -5.215
274 HZ1 LYS 39 3HZ LYS 39 9.113 20.733 -3.185
275 HZ2 LYS 39 1HZ LYS 39 10.537 21.279 -3.918
276 HZ3 LYS 39 2HZ LYS 39 10.334 19.633 -3.586
277 HA PRO 40 HA PRO 40 11.627 20.275 -12.388
278 HB2 PRO 40 1HB PRO 40 11.466 22.969 -12.095
279 HB3 PRO 40 2HB PRO 40 10.337 22.041 -13.089
280 HG2 PRO 40 1HG PRO 40 9.998 23.072 -10.299
281 HG3 PRO 40 2HG PRO 40 8.843 23.084 -11.644
282 HD2 PRO 40 1HD PRO 40 8.739 21.255 -9.650
283 HD3 PRO 40 2HD PRO 40 8.244 20.882 -11.314
284 H SER 41 H SER 41 13.771 20.631 -12.121
285 HA SER 41 HA SER 41 14.763 20.926 -9.425
286 HB2 SER 41 1HB SER 41 15.700 19.367 -11.257
287 HB3 SER 41 2HB SER 41 16.476 20.814 -11.900
288 HG SER 41 HG SER 41 17.933 20.580 -10.420
289 H GLY 42 H GLY 42 15.412 22.756 -8.503
290 HA2 GLY 42 1HA GLY 42 16.569 24.897 -10.073
291 HA3 GLY 42 2HA GLY 42 15.006 25.277 -9.365
292 HA PRO 43 HA PRO 43 18.337 26.400 -6.327
293 HB2 PRO 43 1HB PRO 43 17.363 28.880 -5.806
294 HB3 PRO 43 2HB PRO 43 18.479 28.546 -7.135
295 HG2 PRO 43 1HG PRO 43 15.503 28.861 -7.194
296 HG3 PRO 43 2HG PRO 43 16.718 29.502 -8.315
297 HD2 PRO 43 1HD PRO 43 15.248 27.296 -8.867
298 HD3 PRO 43 2HD PRO 43 16.914 27.503 -9.445
299 H SER 44 H SER 44 14.885 27.284 -6.168
300 HA SER 44 HA SER 44 14.654 27.327 -3.387
301 HB2 SER 44 1HB SER 44 12.597 26.697 -5.513
302 HB3 SER 44 2HB SER 44 12.204 26.934 -3.810
303 HG SER 44 HG SER 44 12.947 28.781 -5.740
304 H SER 45 H SER 45 15.609 25.630 -2.341
305 HA SER 45 HA SER 45 14.330 23.005 -2.720
306 HB2 SER 45 1HB SER 45 16.646 23.027 -3.641
307 HB3 SER 45 2HB SER 45 17.247 23.454 -2.039
308 HG SER 45 HG SER 45 15.657 21.159 -2.471
309 H GLY 46 H GLY 46 16.260 24.990 -0.478
310 HA2 GLY 46 1HA GLY 46 15.822 25.433 1.763
311 HA3 GLY 46 2HA GLY 46 14.453 24.333 1.685